NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
602752 | 5ird | 30034 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 16.799 1.572 -0.697 2 H2 GLY 1 2H GLY 1 17.836 2.312 -1.804 3 H3 GLY 1 3H GLY 1 18.338 2.069 -0.211 4 HA2 GLY 1 1HA GLY 1 19.359 0.456 -1.690 5 HA3 GLY 1 2HA GLY 1 18.320 -0.303 -0.493 6 HA PRO 2 HA PRO 2 16.114 -0.682 -4.746 7 HB2 PRO 2 2HB PRO 2 17.487 -0.130 -6.980 8 HB3 PRO 2 1HB PRO 2 16.755 1.162 -6.019 9 HG2 PRO 2 2HG PRO 2 19.610 0.254 -6.106 10 HG3 PRO 2 1HG PRO 2 18.961 1.904 -6.061 11 HD2 PRO 2 2HD PRO 2 19.910 0.531 -3.856 12 HD3 PRO 2 1HD PRO 2 18.768 1.886 -3.782 13 H GLY 3 H GLY 3 16.972 -1.903 -7.094 14 HA2 GLY 3 1HA GLY 3 18.901 -3.609 -7.474 15 HA3 GLY 3 2HA GLY 3 18.173 -4.381 -6.068 16 H SER 4 H SER 4 18.323 -5.832 -8.341 17 HA SER 4 HA SER 4 15.917 -5.613 -9.897 18 HB2 SER 4 1HB SER 4 18.067 -6.579 -10.779 19 HB3 SER 4 2HB SER 4 17.826 -7.966 -9.717 20 HG SER 4 HG SER 4 16.282 -8.691 -10.981 21 H MET 5 H MET 5 14.409 -5.568 -8.138 22 HA MET 5 HA MET 5 14.105 -7.995 -6.544 23 HB2 MET 5 1HB MET 5 13.989 -5.648 -5.572 24 HB3 MET 5 2HB MET 5 12.465 -5.451 -6.424 25 HG2 MET 5 1HG MET 5 11.392 -7.067 -5.097 26 HG3 MET 5 2HG MET 5 12.920 -7.691 -4.477 27 HE1 MET 5 1HE MET 5 12.117 -3.856 -4.879 28 HE2 MET 5 2HE MET 5 11.323 -3.504 -3.344 29 HE3 MET 5 3HE MET 5 10.533 -4.549 -4.527 30 H SER 6 H SER 6 11.625 -8.628 -6.234 31 HA SER 6 HA SER 6 10.430 -8.806 -8.918 32 HB2 SER 6 1HB SER 6 9.974 -11.242 -8.429 33 HB3 SER 6 2HB SER 6 11.678 -10.845 -8.653 34 HG SER 6 HG SER 6 10.322 -11.199 -6.179 35 H GLU 7 H GLU 7 8.748 -7.421 -8.385 36 HA GLU 7 HA GLU 7 6.917 -8.177 -6.246 37 HB2 GLU 7 1HB GLU 7 6.986 -5.886 -8.216 38 HB3 GLU 7 2HB GLU 7 5.591 -6.183 -7.186 39 HG2 GLU 7 1HG GLU 7 7.182 -4.453 -6.340 40 HG3 GLU 7 2HG GLU 7 6.841 -5.764 -5.212 41 H THR 8 H THR 8 7.479 -9.103 -9.367 42 HA THR 8 HA THR 8 6.470 -10.673 -10.652 43 HB THR 8 HB THR 8 4.172 -10.595 -8.681 44 HG1 THR 8 1HG THR 8 5.637 -12.794 -8.445 45 HG21 THR 8 1HG2 THR 8 4.943 -12.675 -10.744 46 HG22 THR 8 2HG2 THR 8 3.542 -11.607 -10.829 47 HG23 THR 8 3HG2 THR 8 3.644 -12.831 -9.564 48 H SER 9 H SER 9 4.504 -7.943 -9.634 49 HA SER 9 HA SER 9 2.730 -8.056 -11.889 50 HB2 SER 9 1HB SER 9 3.218 -5.800 -9.926 51 HB3 SER 9 2HB SER 9 1.807 -6.001 -10.974 52 HG SER 9 HG SER 9 2.594 -7.608 -8.772 53 H ALA 10 H ALA 10 2.713 -6.683 -13.681 54 HA ALA 10 HA ALA 10 3.423 -5.226 -15.272 55 HB1 ALA 10 1HB ALA 10 3.606 -3.581 -13.472 56 HB2 ALA 10 2HB ALA 10 4.880 -3.357 -14.671 57 HB3 ALA 10 3HB ALA 10 5.246 -4.130 -13.128 58 HA PRO 11 HA PRO 11 6.975 -7.126 -17.181 59 HB2 PRO 11 2HB PRO 11 7.782 -5.097 -18.858 60 HB3 PRO 11 1HB PRO 11 6.412 -6.161 -19.190 61 HG2 PRO 11 2HG PRO 11 6.426 -3.392 -18.047 62 HG3 PRO 11 1HG PRO 11 5.339 -4.099 -19.258 63 HD2 PRO 11 2HD PRO 11 4.601 -3.818 -16.682 64 HD3 PRO 11 1HD PRO 11 4.068 -5.201 -17.663 65 H ALA 12 H ALA 12 9.253 -7.114 -17.075 66 HA ALA 12 HA ALA 12 10.299 -6.253 -14.678 67 HB1 ALA 12 1HB ALA 12 12.472 -6.929 -15.512 68 HB2 ALA 12 2HB ALA 12 11.878 -6.872 -17.172 69 HB3 ALA 12 3HB ALA 12 11.236 -8.068 -16.047 70 H GLU 13 H GLU 13 10.467 -4.594 -17.793 71 HA GLU 13 HA GLU 13 12.378 -2.643 -17.048 72 HB2 GLU 13 1HB GLU 13 10.182 -2.358 -19.120 73 HB3 GLU 13 2HB GLU 13 11.625 -1.366 -18.995 74 HG2 GLU 13 1HG GLU 13 12.024 -2.852 -20.763 75 HG3 GLU 13 2HG GLU 13 12.962 -3.471 -19.404 76 H GLU 14 H GLU 14 8.848 -2.561 -17.169 77 HA GLU 14 HA GLU 14 8.607 0.119 -16.250 78 HB2 GLU 14 1HB GLU 14 6.901 -0.876 -17.644 79 HB3 GLU 14 2HB GLU 14 6.626 -2.154 -16.471 80 HG2 GLU 14 1HG GLU 14 5.661 -0.588 -14.913 81 HG3 GLU 14 2HG GLU 14 6.072 0.768 -15.965 82 H LEU 15 H LEU 15 8.202 -3.040 -14.728 83 HA LEU 15 HA LEU 15 7.240 -2.268 -12.256 84 HB2 LEU 15 1HB LEU 15 7.344 -4.594 -13.108 85 HB3 LEU 15 2HB LEU 15 9.078 -4.592 -12.874 86 HG LEU 15 HG LEU 15 7.619 -5.787 -11.128 87 HD11 LEU 15 1HD1 LEU 15 9.071 -5.149 -9.270 88 HD12 LEU 15 2HD1 LEU 15 9.623 -3.743 -10.179 89 HD13 LEU 15 3HD1 LEU 15 9.985 -5.368 -10.761 90 HD21 LEU 15 1HD2 LEU 15 5.943 -4.005 -10.889 91 HD22 LEU 15 2HD2 LEU 15 7.173 -2.955 -10.184 92 HD23 LEU 15 3HD2 LEU 15 6.687 -4.431 -9.349 93 H LEU 16 H LEU 16 10.629 -2.708 -13.269 94 HA LEU 16 HA LEU 16 11.858 -2.352 -10.815 95 HB2 LEU 16 1HB LEU 16 13.002 -3.089 -12.860 96 HB3 LEU 16 2HB LEU 16 12.856 -1.476 -13.530 97 HG LEU 16 HG LEU 16 14.322 -0.605 -11.738 98 HD11 LEU 16 1HD1 LEU 16 14.614 -3.505 -10.946 99 HD12 LEU 16 2HD1 LEU 16 13.830 -2.240 -9.997 100 HD13 LEU 16 3HD1 LEU 16 15.562 -2.160 -10.312 101 HD21 LEU 16 1HD2 LEU 16 15.292 -1.250 -13.877 102 HD22 LEU 16 2HD2 LEU 16 15.505 -2.905 -13.302 103 HD23 LEU 16 3HD2 LEU 16 16.408 -1.587 -12.555 104 H ALA 17 H ALA 17 11.382 0.186 -13.284 105 HA ALA 17 HA ALA 17 12.341 2.290 -11.675 106 HB1 ALA 17 1HB ALA 17 10.465 2.457 -14.037 107 HB2 ALA 17 2HB ALA 17 12.225 2.406 -14.128 108 HB3 ALA 17 3HB ALA 17 11.423 3.780 -13.368 109 H ASP 18 H ASP 18 9.032 1.202 -12.384 110 HA ASP 18 HA ASP 18 7.758 3.339 -11.065 111 HB2 ASP 18 1HB ASP 18 6.707 1.775 -12.767 112 HB3 ASP 18 2HB ASP 18 6.568 0.588 -11.474 113 H VAL 19 H VAL 19 8.589 0.061 -9.986 114 HA VAL 19 HA VAL 19 7.411 0.367 -7.421 115 HB VAL 19 HB VAL 19 8.036 -1.859 -8.535 116 HG11 VAL 19 1HG1 VAL 19 10.386 -1.328 -9.032 117 HG12 VAL 19 2HG1 VAL 19 10.229 -2.784 -8.051 118 HG13 VAL 19 3HG1 VAL 19 10.729 -1.268 -7.300 119 HG21 VAL 19 1HG2 VAL 19 8.423 -2.961 -6.361 120 HG22 VAL 19 2HG2 VAL 19 7.152 -1.742 -6.277 121 HG23 VAL 19 3HG2 VAL 19 8.758 -1.387 -5.637 122 H GLU 20 H GLU 20 10.643 0.988 -8.733 123 HA GLU 20 HA GLU 20 11.949 1.573 -6.324 124 HB2 GLU 20 1HB GLU 20 13.063 1.437 -8.567 125 HB3 GLU 20 2HB GLU 20 12.360 3.000 -8.966 126 HG2 GLU 20 1HG GLU 20 13.565 3.956 -6.983 127 HG3 GLU 20 2HG GLU 20 14.377 2.402 -6.807 128 H GLU 21 H GLU 21 9.966 3.625 -8.439 129 HA GLU 21 HA GLU 21 10.182 5.986 -6.886 130 HB2 GLU 21 1HB GLU 21 8.004 5.088 -8.795 131 HB3 GLU 21 2HB GLU 21 8.155 6.716 -8.141 132 HG2 GLU 21 1HG GLU 21 10.327 6.962 -9.235 133 HG3 GLU 21 2HG GLU 21 10.191 5.327 -9.880 134 H ALA 22 H ALA 22 7.672 3.471 -7.025 135 HA ALA 22 HA ALA 22 5.894 4.552 -5.177 136 HB1 ALA 22 1HB ALA 22 4.981 2.294 -4.970 137 HB2 ALA 22 2HB ALA 22 6.428 1.625 -5.725 138 HB3 ALA 22 3HB ALA 22 5.348 2.666 -6.653 139 H MET 23 H MET 23 8.645 2.391 -4.685 140 HA MET 23 HA MET 23 8.243 1.884 -1.944 141 HB2 MET 23 1HB MET 23 10.720 1.750 -3.668 142 HB3 MET 23 2HB MET 23 10.728 1.296 -1.972 143 HG2 MET 23 1HG MET 23 9.032 0.025 -4.121 144 HG3 MET 23 2HG MET 23 10.522 -0.642 -3.455 145 HE1 MET 23 1HE MET 23 7.751 -3.025 -2.016 146 HE2 MET 23 2HE MET 23 9.270 -2.938 -2.909 147 HE3 MET 23 3HE MET 23 7.796 -2.270 -3.609 148 H ARG 24 H ARG 24 9.248 4.726 -3.505 149 HA ARG 24 HA ARG 24 10.821 5.779 -1.312 150 HB2 ARG 24 1HB ARG 24 11.430 6.633 -3.412 151 HB3 ARG 24 2HB ARG 24 9.763 6.861 -3.914 152 HG2 ARG 24 1HG ARG 24 9.561 8.731 -2.316 153 HG3 ARG 24 2HG ARG 24 11.262 8.518 -1.885 154 HD2 ARG 24 1HD ARG 24 10.711 10.320 -3.614 155 HD3 ARG 24 2HD ARG 24 11.998 9.183 -4.018 156 HE ARG 24 HE ARG 24 10.596 8.167 -5.595 157 HH11 ARG 24 1HH1 ARG 24 9.041 10.889 -4.042 158 HH12 ARG 24 2HH1 ARG 24 7.742 10.960 -5.188 159 HH21 ARG 24 1HH2 ARG 24 8.889 8.279 -7.116 160 HH22 ARG 24 2HH2 ARG 24 7.660 9.485 -6.941 161 H ASP 25 H ASP 25 7.466 5.762 -2.305 162 HA ASP 25 HA ASP 25 6.815 7.854 -0.344 163 HB2 ASP 25 1HB ASP 25 5.230 6.645 -2.618 164 HB3 ASP 25 2HB ASP 25 4.520 7.736 -1.432 165 H VAL 26 H VAL 26 6.442 4.431 -0.907 166 HA VAL 26 HA VAL 26 4.438 4.250 1.239 167 HB VAL 26 HB VAL 26 4.040 1.967 0.525 168 HG11 VAL 26 1HG1 VAL 26 3.154 2.414 -1.727 169 HG12 VAL 26 2HG1 VAL 26 4.106 3.897 -1.798 170 HG13 VAL 26 3HG1 VAL 26 2.815 3.735 -0.607 171 HG21 VAL 26 1HG2 VAL 26 5.169 1.031 -1.467 172 HG22 VAL 26 2HG2 VAL 26 6.278 1.295 -0.122 173 HG23 VAL 26 3HG2 VAL 26 6.257 2.419 -1.480 174 H VAL 27 H VAL 27 7.431 4.694 1.536 175 HA VAL 27 HA VAL 27 7.882 2.526 3.492 176 HB VAL 27 HB VAL 27 9.347 2.529 1.309 177 HG11 VAL 27 1HG1 VAL 27 11.388 3.880 1.462 178 HG12 VAL 27 2HG1 VAL 27 10.758 4.672 2.907 179 HG13 VAL 27 3HG1 VAL 27 9.948 4.894 1.356 180 HG21 VAL 27 1HG2 VAL 27 9.747 1.055 3.216 181 HG22 VAL 27 2HG2 VAL 27 10.642 2.338 4.031 182 HG23 VAL 27 3HG2 VAL 27 11.266 1.640 2.538 183 H ASP 28 H ASP 28 9.553 3.246 5.180 184 HA ASP 28 HA ASP 28 9.285 6.130 5.732 185 HB2 ASP 28 1HB ASP 28 8.466 4.640 7.540 186 HB3 ASP 28 2HB ASP 28 10.059 3.893 7.633 187 HA PRO 29 HA PRO 29 13.669 5.704 4.516 188 HB2 PRO 29 2HB PRO 29 13.862 7.983 3.087 189 HB3 PRO 29 1HB PRO 29 13.116 6.528 2.423 190 HG2 PRO 29 2HG PRO 29 11.828 9.003 3.477 191 HG3 PRO 29 1HG PRO 29 11.332 7.960 2.133 192 HD2 PRO 29 2HD PRO 29 10.264 7.912 4.721 193 HD3 PRO 29 1HD PRO 29 10.083 6.637 3.501 194 H GLU 30 H GLU 30 11.950 7.660 6.559 195 HA GLU 30 HA GLU 30 13.844 9.662 7.222 196 HB2 GLU 30 1HB GLU 30 11.565 8.499 8.848 197 HB3 GLU 30 2HB GLU 30 12.453 9.959 9.263 198 HG2 GLU 30 1HG GLU 30 10.791 9.556 6.781 199 HG3 GLU 30 2HG GLU 30 10.311 10.471 8.207 200 H LEU 31 H LEU 31 12.886 6.703 8.985 201 HA LEU 31 HA LEU 31 15.572 6.672 10.207 202 HB2 LEU 31 1HB LEU 31 13.014 5.360 11.152 203 HB3 LEU 31 2HB LEU 31 14.571 5.224 11.951 204 HG LEU 31 HG LEU 31 12.933 7.748 11.630 205 HD11 LEU 31 1HD1 LEU 31 12.703 7.652 14.051 206 HD12 LEU 31 2HD1 LEU 31 13.626 6.150 14.098 207 HD13 LEU 31 3HD1 LEU 31 12.052 6.196 13.301 208 HD21 LEU 31 1HD2 LEU 31 14.645 8.827 13.026 209 HD22 LEU 31 2HD2 LEU 31 15.306 8.278 11.486 210 HD23 LEU 31 3HD2 LEU 31 15.622 7.358 12.958 211 H GLY 32 H GLY 32 13.603 5.163 7.917 212 HA2 GLY 32 1HA GLY 32 14.474 3.681 6.320 213 HA3 GLY 32 2HA GLY 32 15.738 3.229 7.451 214 H ILE 33 H ILE 33 12.167 3.163 7.601 215 HA ILE 33 HA ILE 33 12.352 0.284 8.255 216 HB ILE 33 HB ILE 33 10.109 2.194 8.953 217 HG12 ILE 33 1HG1 ILE 33 10.789 1.543 11.347 218 HG13 ILE 33 2HG1 ILE 33 12.285 0.948 10.640 219 HG21 ILE 33 1HG2 ILE 33 10.411 -0.742 9.568 220 HG22 ILE 33 2HG2 ILE 33 9.227 -0.004 8.489 221 HG23 ILE 33 3HG2 ILE 33 9.154 0.309 10.222 222 HD11 ILE 33 1HD1 ILE 33 11.270 3.777 10.512 223 HD12 ILE 33 2HD1 ILE 33 12.775 3.187 9.808 224 HD13 ILE 33 3HD1 ILE 33 12.556 3.172 11.557 225 H ASN 34 H ASN 34 11.121 -1.138 7.126 226 HA ASN 34 HA ASN 34 9.519 -0.097 4.882 227 HB2 ASN 34 1HB ASN 34 10.231 -2.116 3.585 228 HB3 ASN 34 2HB ASN 34 11.555 -1.019 3.954 229 HD21 ASN 34 1HD2 ASN 34 12.428 -4.639 4.588 230 HD22 ASN 34 2HD2 ASN 34 11.621 -3.854 3.278 231 H VAL 35 H VAL 35 7.456 -0.528 5.222 232 HA VAL 35 HA VAL 35 6.472 -2.061 7.312 233 HB VAL 35 HB VAL 35 4.254 -1.843 6.271 234 HG11 VAL 35 1HG1 VAL 35 4.186 0.620 6.184 235 HG12 VAL 35 2HG1 VAL 35 5.949 0.662 6.095 236 HG13 VAL 35 3HG1 VAL 35 5.152 0.035 7.539 237 HG21 VAL 35 1HG2 VAL 35 4.879 -2.238 3.931 238 HG22 VAL 35 2HG2 VAL 35 5.747 -0.702 3.895 239 HG23 VAL 35 3HG2 VAL 35 3.996 -0.721 4.101 240 H VAL 36 H VAL 36 7.115 -3.018 3.992 241 HA VAL 36 HA VAL 36 5.686 -5.401 3.858 242 HB VAL 36 HB VAL 36 6.776 -4.392 1.907 243 HG11 VAL 36 1HG1 VAL 36 9.199 -4.692 1.527 244 HG12 VAL 36 2HG1 VAL 36 9.366 -5.304 3.173 245 HG13 VAL 36 3HG1 VAL 36 8.853 -3.638 2.899 246 HG21 VAL 36 1HG2 VAL 36 7.694 -7.219 2.454 247 HG22 VAL 36 2HG2 VAL 36 7.627 -6.457 0.864 248 HG23 VAL 36 3HG2 VAL 36 6.141 -6.733 1.773 249 H ASP 37 H ASP 37 8.665 -4.676 5.512 250 HA ASP 37 HA ASP 37 9.636 -7.338 5.730 251 HB2 ASP 37 1HB ASP 37 11.115 -5.396 5.927 252 HB3 ASP 37 2HB ASP 37 10.277 -4.889 7.391 253 H LEU 38 H LEU 38 7.194 -5.596 7.419 254 HA LEU 38 HA LEU 38 7.227 -7.110 9.840 255 HB2 LEU 38 1HB LEU 38 5.098 -5.457 8.482 256 HB3 LEU 38 2HB LEU 38 4.773 -6.335 9.963 257 HG LEU 38 HG LEU 38 5.248 -4.000 10.452 258 HD11 LEU 38 1HD1 LEU 38 7.043 -4.291 12.093 259 HD12 LEU 38 2HD1 LEU 38 7.482 -5.822 11.336 260 HD13 LEU 38 3HD1 LEU 38 5.908 -5.641 12.112 261 HD21 LEU 38 1HD2 LEU 38 7.943 -4.468 9.171 262 HD22 LEU 38 2HD2 LEU 38 7.444 -3.011 10.030 263 HD23 LEU 38 3HD2 LEU 38 6.647 -3.462 8.524 264 H GLY 39 H GLY 39 6.403 -7.824 6.675 265 HA2 GLY 39 1HA GLY 39 5.802 -9.757 5.651 266 HA3 GLY 39 2HA GLY 39 6.116 -10.555 7.178 267 H LEU 40 H LEU 40 3.653 -8.141 7.325 268 HA LEU 40 HA LEU 40 1.575 -10.177 6.927 269 HB2 LEU 40 1HB LEU 40 1.637 -8.413 8.894 270 HB3 LEU 40 2HB LEU 40 0.963 -7.331 7.690 271 HG LEU 40 HG LEU 40 -0.300 -9.964 8.511 272 HD11 LEU 40 1HD1 LEU 40 -1.052 -7.166 9.346 273 HD12 LEU 40 2HD1 LEU 40 -0.314 -8.391 10.379 274 HD13 LEU 40 3HD1 LEU 40 -1.938 -8.641 9.733 275 HD21 LEU 40 1HD2 LEU 40 -0.934 -9.280 6.264 276 HD22 LEU 40 2HD2 LEU 40 -1.390 -7.685 6.860 277 HD23 LEU 40 3HD2 LEU 40 -2.294 -9.110 7.374 278 H VAL 41 H VAL 41 2.997 -7.326 5.597 279 HA VAL 41 HA VAL 41 1.010 -6.633 3.714 280 HB VAL 41 HB VAL 41 3.987 -6.091 3.521 281 HG11 VAL 41 1HG1 VAL 41 1.612 -4.638 2.343 282 HG12 VAL 41 2HG1 VAL 41 2.813 -5.579 1.457 283 HG13 VAL 41 3HG1 VAL 41 3.285 -4.082 2.263 284 HG21 VAL 41 1HG2 VAL 41 3.531 -3.989 4.706 285 HG22 VAL 41 2HG2 VAL 41 3.157 -5.393 5.708 286 HG23 VAL 41 3HG2 VAL 41 1.854 -4.486 4.938 287 H TYR 42 H TYR 42 3.097 -9.288 3.844 288 HA TYR 42 HA TYR 42 3.518 -9.898 1.140 289 HB2 TYR 42 2HB TYR 42 2.972 -11.736 3.488 290 HB3 TYR 42 1HB TYR 42 3.441 -12.307 1.895 291 HD1 TYR 42 1HD TYR 42 4.829 -12.749 4.600 292 HD2 TYR 42 2HD TYR 42 5.490 -9.951 1.455 293 HE1 TYR 42 1HE TYR 42 7.193 -12.609 5.232 294 HE2 TYR 42 2HE TYR 42 7.864 -9.803 2.090 295 HH TYR 42 HH TYR 42 9.313 -10.227 3.955 296 H GLY 43 H GLY 43 0.680 -9.893 3.106 297 HA2 GLY 43 1HA GLY 43 -0.887 -11.520 1.283 298 HA3 GLY 43 2HA GLY 43 -1.440 -10.780 2.775 299 H LEU 44 H LEU 44 -0.855 -10.288 -0.618 300 HA LEU 44 HA LEU 44 -2.854 -8.162 -0.542 301 HB2 LEU 44 1HB LEU 44 -1.673 -6.719 -2.048 302 HB3 LEU 44 2HB LEU 44 -0.665 -7.031 -0.658 303 HG LEU 44 HG LEU 44 0.807 -6.995 -2.471 304 HD11 LEU 44 1HD1 LEU 44 1.221 -8.904 -1.015 305 HD12 LEU 44 2HD1 LEU 44 1.732 -9.212 -2.675 306 HD13 LEU 44 3HD1 LEU 44 0.238 -9.923 -2.070 307 HD21 LEU 44 1HD2 LEU 44 -0.842 -7.068 -4.269 308 HD22 LEU 44 2HD2 LEU 44 -1.030 -8.806 -4.036 309 HD23 LEU 44 3HD2 LEU 44 0.512 -8.150 -4.583 310 H ASP 45 H ASP 45 -4.310 -8.226 -2.165 311 HA ASP 45 HA ASP 45 -3.913 -10.176 -4.331 312 HB2 ASP 45 1HB ASP 45 -6.363 -10.040 -2.536 313 HB3 ASP 45 2HB ASP 45 -6.233 -11.017 -3.993 314 H VAL 46 H VAL 46 -4.041 -8.937 -6.102 315 HA VAL 46 HA VAL 46 -5.894 -6.673 -6.102 316 HB VAL 46 HB VAL 46 -4.759 -5.868 -8.084 317 HG11 VAL 46 1HG1 VAL 46 -2.736 -6.806 -6.044 318 HG12 VAL 46 2HG1 VAL 46 -3.761 -5.380 -5.886 319 HG13 VAL 46 3HG1 VAL 46 -2.545 -5.455 -7.161 320 HG21 VAL 46 1HG2 VAL 46 -3.134 -8.408 -7.977 321 HG22 VAL 46 2HG2 VAL 46 -2.817 -7.036 -9.037 322 HG23 VAL 46 3HG2 VAL 46 -4.303 -7.965 -9.218 323 H GLN 47 H GLN 47 -7.871 -7.118 -6.689 324 HA GLN 47 HA GLN 47 -8.401 -9.312 -8.568 325 HB2 GLN 47 1HB GLN 47 -10.268 -7.843 -6.685 326 HB3 GLN 47 2HB GLN 47 -10.714 -9.203 -7.708 327 HG2 GLN 47 1HG GLN 47 -9.170 -10.645 -6.483 328 HG3 GLN 47 2HG GLN 47 -8.685 -9.283 -5.476 329 HE21 GLN 47 1HE2 GLN 47 -12.258 -9.268 -4.209 330 HE22 GLN 47 2HE2 GLN 47 -11.421 -8.225 -5.304 331 H ASP 48 H ASP 48 -8.847 -8.810 -10.606 332 HA ASP 48 HA ASP 48 -9.869 -6.113 -11.217 333 HB2 ASP 48 1HB ASP 48 -8.940 -6.333 -13.422 334 HB3 ASP 48 2HB ASP 48 -7.687 -6.795 -12.278 335 H GLY 49 H GLY 49 -11.724 -5.868 -12.378 336 HA2 GLY 49 1HA GLY 49 -13.047 -8.168 -13.573 337 HA3 GLY 49 2HA GLY 49 -13.859 -7.469 -12.177 338 H ASP 50 H ASP 50 -15.588 -7.131 -13.767 339 HA ASP 50 HA ASP 50 -15.201 -5.105 -15.800 340 HB2 ASP 50 1HB ASP 50 -17.781 -6.342 -14.792 341 HB3 ASP 50 2HB ASP 50 -17.574 -5.422 -16.280 342 H GLU 51 H GLU 51 -16.327 -5.357 -12.541 343 HA GLU 51 HA GLU 51 -17.650 -2.857 -12.317 344 HB2 GLU 51 1HB GLU 51 -17.878 -4.787 -10.724 345 HB3 GLU 51 2HB GLU 51 -16.249 -4.464 -10.153 346 HG2 GLU 51 1HG GLU 51 -17.762 -3.527 -8.585 347 HG3 GLU 51 2HG GLU 51 -17.018 -2.189 -9.461 348 H GLY 52 H GLY 52 -14.327 -3.933 -11.835 349 HA2 GLY 52 1HA GLY 52 -13.068 -1.574 -12.508 350 HA3 GLY 52 2HA GLY 52 -13.348 -1.478 -10.772 351 H THR 53 H THR 53 -10.893 -1.377 -10.996 352 HA THR 53 HA THR 53 -9.816 -4.116 -10.742 353 HB THR 53 HB THR 53 -8.245 -1.717 -11.709 354 HG1 THR 53 1HG THR 53 -9.736 -2.247 -13.312 355 HG21 THR 53 1HG2 THR 53 -7.617 -4.675 -11.659 356 HG22 THR 53 2HG2 THR 53 -6.864 -3.426 -10.668 357 HG23 THR 53 3HG2 THR 53 -6.608 -3.442 -12.412 358 H VAL 54 H VAL 54 -9.586 -4.403 -8.615 359 HA VAL 54 HA VAL 54 -8.757 -2.110 -6.963 360 HB VAL 54 HB VAL 54 -11.054 -2.691 -6.497 361 HG11 VAL 54 1HG1 VAL 54 -11.074 -4.994 -7.273 362 HG12 VAL 54 2HG1 VAL 54 -11.706 -4.895 -5.629 363 HG13 VAL 54 3HG1 VAL 54 -10.067 -5.487 -5.910 364 HG21 VAL 54 1HG2 VAL 54 -9.667 -1.957 -4.617 365 HG22 VAL 54 2HG2 VAL 54 -9.242 -3.632 -4.263 366 HG23 VAL 54 3HG2 VAL 54 -10.911 -3.090 -4.085 367 H ALA 55 H ALA 55 -6.898 -2.275 -5.993 368 HA ALA 55 HA ALA 55 -5.550 -4.847 -5.655 369 HB1 ALA 55 1HB ALA 55 -4.264 -2.984 -6.552 370 HB2 ALA 55 2HB ALA 55 -3.629 -3.448 -4.974 371 HB3 ALA 55 3HB ALA 55 -4.633 -2.003 -5.132 372 H LEU 56 H LEU 56 -6.248 -5.933 -3.849 373 HA LEU 56 HA LEU 56 -6.915 -4.501 -1.401 374 HB2 LEU 56 1HB LEU 56 -6.853 -7.481 -1.948 375 HB3 LEU 56 2HB LEU 56 -7.507 -6.716 -0.512 376 HG LEU 56 HG LEU 56 -8.606 -6.404 -3.313 377 HD11 LEU 56 1HD1 LEU 56 -10.492 -7.731 -2.513 378 HD12 LEU 56 2HD1 LEU 56 -9.689 -7.954 -0.957 379 HD13 LEU 56 3HD1 LEU 56 -8.987 -8.643 -2.422 380 HD21 LEU 56 1HD2 LEU 56 -9.654 -5.383 -0.670 381 HD22 LEU 56 2HD2 LEU 56 -10.485 -5.268 -2.223 382 HD23 LEU 56 3HD2 LEU 56 -8.969 -4.404 -1.968 383 H ILE 57 H ILE 57 -5.566 -4.273 0.313 384 HA ILE 57 HA ILE 57 -3.065 -5.845 0.334 385 HB ILE 57 HB ILE 57 -3.225 -2.886 0.972 386 HG12 ILE 57 1HG1 ILE 57 -2.052 -4.274 -1.462 387 HG13 ILE 57 2HG1 ILE 57 -3.502 -3.276 -1.446 388 HG21 ILE 57 1HG2 ILE 57 -1.524 -4.115 2.245 389 HG22 ILE 57 2HG2 ILE 57 -0.788 -3.002 1.093 390 HG23 ILE 57 3HG2 ILE 57 -0.840 -4.731 0.741 391 HD11 ILE 57 1HD1 ILE 57 -1.619 -2.047 -2.331 392 HD12 ILE 57 2HD1 ILE 57 -0.703 -2.348 -0.854 393 HD13 ILE 57 3HD1 ILE 57 -2.150 -1.341 -0.806 394 H ASP 58 H ASP 58 -3.098 -7.023 2.114 395 HA ASP 58 HA ASP 58 -4.568 -6.231 4.474 396 HB2 ASP 58 1HB ASP 58 -2.765 -8.619 3.961 397 HB3 ASP 58 2HB ASP 58 -3.677 -8.365 5.441 398 H MET 59 H MET 59 -3.751 -4.877 5.947 399 HA MET 59 HA MET 59 -0.865 -4.949 6.518 400 HB2 MET 59 1HB MET 59 -2.509 -2.478 5.931 401 HB3 MET 59 2HB MET 59 -0.950 -2.419 6.742 402 HG2 MET 59 1HG MET 59 0.082 -3.479 4.764 403 HG3 MET 59 2HG MET 59 -1.481 -3.427 3.954 404 HE1 MET 59 1HE MET 59 0.801 0.380 5.249 405 HE2 MET 59 2HE MET 59 1.426 -1.248 5.516 406 HE3 MET 59 3HE MET 59 -0.014 -0.702 6.377 407 H THR 60 H THR 60 -0.354 -3.634 8.506 408 HA THR 60 HA THR 60 -2.480 -3.331 10.448 409 HB THR 60 HB THR 60 -1.764 -5.751 10.631 410 HG1 THR 60 1HG THR 60 -2.546 -5.249 12.539 411 HG21 THR 60 1HG2 THR 60 0.395 -6.233 11.706 412 HG22 THR 60 2HG2 THR 60 0.832 -4.528 11.595 413 HG23 THR 60 3HG2 THR 60 0.617 -5.483 10.127 414 H LEU 61 H LEU 61 -1.647 -2.280 12.424 415 HA LEU 61 HA LEU 61 0.931 -0.911 12.079 416 HB2 LEU 61 1HB LEU 61 -1.677 0.414 12.876 417 HB3 LEU 61 2HB LEU 61 -0.103 1.185 12.934 418 HG LEU 61 HG LEU 61 -1.479 0.221 10.415 419 HD11 LEU 61 1HD1 LEU 61 -1.081 3.019 11.481 420 HD12 LEU 61 2HD1 LEU 61 -2.611 2.151 11.361 421 HD13 LEU 61 3HD1 LEU 61 -1.739 2.607 9.896 422 HD21 LEU 61 1HD2 LEU 61 0.949 0.096 10.231 423 HD22 LEU 61 2HD2 LEU 61 1.094 1.766 10.783 424 HD23 LEU 61 3HD2 LEU 61 0.318 1.411 9.238 425 H THR 62 H THR 62 1.409 0.314 14.258 426 HA THR 62 HA THR 62 2.026 -1.479 16.191 427 HB THR 62 HB THR 62 1.273 1.387 16.810 428 HG1 THR 62 1HG THR 62 3.744 0.366 15.796 429 HG21 THR 62 1HG2 THR 62 3.059 1.230 18.483 430 HG22 THR 62 2HG2 THR 62 3.360 -0.446 18.026 431 HG23 THR 62 3HG2 THR 62 1.828 0.002 18.777 432 H SER 63 H SER 63 -0.966 0.445 16.084 433 HA SER 63 HA SER 63 -2.251 -1.602 17.742 434 HB2 SER 63 1HB SER 63 -1.567 0.289 19.234 435 HB3 SER 63 2HB SER 63 -2.560 1.375 18.264 436 HG SER 63 HG SER 63 -4.321 -0.197 18.798 437 H ALA 64 H ALA 64 -2.172 -0.114 14.910 438 HA ALA 64 HA ALA 64 -3.583 0.269 13.177 439 HB1 ALA 64 1HB ALA 64 -5.557 -1.156 13.011 440 HB2 ALA 64 2HB ALA 64 -5.414 -1.567 14.720 441 HB3 ALA 64 3HB ALA 64 -4.161 -2.068 13.584 442 H ALA 65 H ALA 65 -4.056 1.731 15.979 443 HA ALA 65 HA ALA 65 -6.536 3.091 15.132 444 HB1 ALA 65 1HB ALA 65 -5.399 2.859 17.924 445 HB2 ALA 65 2HB ALA 65 -6.752 1.926 17.288 446 HB3 ALA 65 3HB ALA 65 -6.897 3.673 17.474 447 H CYS 66 H CYS 66 -3.538 3.461 14.584 448 HA CYS 66 HA CYS 66 -3.028 6.100 15.703 449 HB2 CYS 66 2HB CYS 66 -1.296 4.433 13.856 450 HB3 CYS 66 1HB CYS 66 -0.792 5.829 14.808 451 HG CYS 66 HG CYS 66 -0.700 4.630 17.193 452 HA PRO 67 HA PRO 67 -4.509 8.290 12.120 453 HB2 PRO 67 2HB PRO 67 -2.356 10.264 12.645 454 HB3 PRO 67 1HB PRO 67 -4.109 10.487 12.629 455 HG2 PRO 67 2HG PRO 67 -2.753 10.497 14.927 456 HG3 PRO 67 1HG PRO 67 -4.357 9.744 14.815 457 HD2 PRO 67 2HD PRO 67 -1.649 8.439 14.797 458 HD3 PRO 67 1HD PRO 67 -3.122 7.963 15.671 459 H LEU 68 H LEU 68 -1.771 6.574 12.067 460 HA LEU 68 HA LEU 68 -0.352 7.699 9.850 461 HB2 LEU 68 1HB LEU 68 0.296 5.931 11.798 462 HB3 LEU 68 2HB LEU 68 -0.093 4.802 10.517 463 HG LEU 68 HG LEU 68 1.989 6.995 10.315 464 HD11 LEU 68 1HD1 LEU 68 3.636 5.208 10.494 465 HD12 LEU 68 2HD1 LEU 68 2.348 4.027 10.742 466 HD13 LEU 68 3HD1 LEU 68 2.631 5.290 11.941 467 HD21 LEU 68 1HD2 LEU 68 1.072 6.412 8.141 468 HD22 LEU 68 2HD2 LEU 68 1.351 4.700 8.459 469 HD23 LEU 68 3HD2 LEU 68 2.720 5.802 8.296 470 H THR 69 H THR 69 -3.198 5.915 10.248 471 HA THR 69 HA THR 69 -3.264 4.272 8.004 472 HB THR 69 HB THR 69 -4.932 4.134 9.800 473 HG1 THR 69 1HG THR 69 -6.151 4.701 7.275 474 HG21 THR 69 1HG2 THR 69 -6.043 6.705 8.662 475 HG22 THR 69 2HG2 THR 69 -5.289 6.506 10.244 476 HG23 THR 69 3HG2 THR 69 -6.818 5.704 9.892 477 H ASP 70 H ASP 70 -4.275 7.681 8.339 478 HA ASP 70 HA ASP 70 -5.209 8.086 5.735 479 HB2 ASP 70 1HB ASP 70 -3.784 10.070 7.543 480 HB3 ASP 70 2HB ASP 70 -4.727 10.488 6.117 481 H VAL 71 H VAL 71 -1.975 8.280 7.096 482 HA VAL 71 HA VAL 71 -0.671 9.419 4.879 483 HB VAL 71 HB VAL 71 0.503 7.630 7.026 484 HG11 VAL 71 1HG1 VAL 71 2.633 8.722 6.497 485 HG12 VAL 71 2HG1 VAL 71 1.855 9.608 5.186 486 HG13 VAL 71 3HG1 VAL 71 1.992 7.852 5.102 487 HG21 VAL 71 1HG2 VAL 71 1.076 9.699 8.197 488 HG22 VAL 71 2HG2 VAL 71 -0.668 9.572 7.966 489 HG23 VAL 71 3HG2 VAL 71 0.279 10.645 6.936 490 H ILE 72 H ILE 72 -0.872 5.982 5.931 491 HA ILE 72 HA ILE 72 0.559 4.986 3.717 492 HB ILE 72 HB ILE 72 -0.386 2.777 4.241 493 HG12 ILE 72 1HG1 ILE 72 -1.942 4.276 6.368 494 HG13 ILE 72 2HG1 ILE 72 -2.631 3.473 4.959 495 HG21 ILE 72 1HG2 ILE 72 0.657 2.556 6.433 496 HG22 ILE 72 2HG2 ILE 72 0.604 4.307 6.650 497 HG23 ILE 72 3HG2 ILE 72 1.614 3.604 5.385 498 HD11 ILE 72 1HD1 ILE 72 -1.798 1.337 5.789 499 HD12 ILE 72 2HD1 ILE 72 -2.897 2.115 6.929 500 HD13 ILE 72 3HD1 ILE 72 -1.156 2.153 7.212 501 H GLU 73 H GLU 73 -2.915 5.473 4.222 502 HA GLU 73 HA GLU 73 -3.795 4.260 1.839 503 HB2 GLU 73 1HB GLU 73 -5.015 6.447 3.536 504 HB3 GLU 73 2HB GLU 73 -5.831 5.745 2.145 505 HG2 GLU 73 1HG GLU 73 -5.785 3.557 3.192 506 HG3 GLU 73 2HG GLU 73 -4.922 4.221 4.579 507 H ASP 74 H ASP 74 -3.076 7.674 2.573 508 HA ASP 74 HA ASP 74 -3.775 8.685 0.045 509 HB2 ASP 74 1HB ASP 74 -3.516 10.138 2.013 510 HB3 ASP 74 2HB ASP 74 -1.790 9.794 2.051 511 H GLN 75 H GLN 75 -0.583 7.826 1.377 512 HA GLN 75 HA GLN 75 0.869 8.550 -0.934 513 HB2 GLN 75 1HB GLN 75 1.573 6.693 1.348 514 HB3 GLN 75 2HB GLN 75 2.708 7.157 0.086 515 HG2 GLN 75 1HG GLN 75 2.499 9.495 0.732 516 HG3 GLN 75 2HG GLN 75 1.316 9.063 1.963 517 HE21 GLN 75 1HE2 GLN 75 4.122 7.166 3.639 518 HE22 GLN 75 2HE2 GLN 75 2.740 6.648 2.750 519 H SER 76 H SER 76 -0.417 5.426 0.162 520 HA SER 76 HA SER 76 0.688 3.899 -1.946 521 HB2 SER 76 1HB SER 76 -0.154 2.893 0.149 522 HB3 SER 76 2HB SER 76 -1.799 3.343 -0.301 523 HG SER 76 HG SER 76 -0.384 1.184 -1.023 524 H ARG 77 H ARG 77 -2.679 5.056 -1.462 525 HA ARG 77 HA ARG 77 -3.677 4.237 -3.928 526 HB2 ARG 77 1HB ARG 77 -5.052 5.050 -2.011 527 HB3 ARG 77 2HB ARG 77 -4.542 6.694 -2.378 528 HG2 ARG 77 1HG ARG 77 -5.638 6.586 -4.543 529 HG3 ARG 77 2HG ARG 77 -6.080 4.901 -4.260 530 HD2 ARG 77 1HD ARG 77 -7.397 5.656 -2.272 531 HD3 ARG 77 2HD ARG 77 -7.053 7.322 -2.739 532 HE ARG 77 HE ARG 77 -8.137 6.275 -4.987 533 HH11 ARG 77 1HH1 ARG 77 -9.220 6.409 -1.650 534 HH12 ARG 77 2HH1 ARG 77 -10.895 6.341 -2.068 535 HH21 ARG 77 1HH2 ARG 77 -10.337 6.177 -5.525 536 HH22 ARG 77 2HH2 ARG 77 -11.540 6.185 -4.274 537 H SER 78 H SER 78 -2.190 7.321 -3.032 538 HA SER 78 HA SER 78 -2.623 8.751 -5.371 539 HB2 SER 78 1HB SER 78 -1.727 9.678 -3.229 540 HB3 SER 78 2HB SER 78 -0.177 8.917 -3.583 541 HG SER 78 HG SER 78 -1.308 10.591 -5.523 542 H ALA 79 H ALA 79 0.117 6.624 -4.534 543 HA ALA 79 HA ALA 79 1.477 7.127 -7.005 544 HB1 ALA 79 1HB ALA 79 1.930 4.905 -5.008 545 HB2 ALA 79 2HB ALA 79 2.667 6.505 -4.937 546 HB3 ALA 79 3HB ALA 79 3.044 5.420 -6.276 547 H LEU 80 H LEU 80 -0.370 4.369 -5.713 548 HA LEU 80 HA LEU 80 0.112 2.618 -7.841 549 HB2 LEU 80 1HB LEU 80 -2.219 2.720 -5.920 550 HB3 LEU 80 2HB LEU 80 -1.897 1.381 -7.007 551 HG LEU 80 HG LEU 80 -0.109 2.297 -4.741 552 HD11 LEU 80 1HD1 LEU 80 -0.675 0.141 -3.730 553 HD12 LEU 80 2HD1 LEU 80 -1.785 -0.195 -5.060 554 HD13 LEU 80 3HD1 LEU 80 -2.105 1.147 -3.960 555 HD21 LEU 80 1HD2 LEU 80 1.230 1.472 -6.593 556 HD22 LEU 80 2HD2 LEU 80 0.239 0.015 -6.688 557 HD23 LEU 80 3HD2 LEU 80 1.240 0.309 -5.267 558 H VAL 81 H VAL 81 -2.492 4.965 -7.346 559 HA VAL 81 HA VAL 81 -3.938 4.239 -9.691 560 HB VAL 81 HB VAL 81 -4.873 5.557 -7.731 561 HG11 VAL 81 1HG1 VAL 81 -3.467 7.864 -9.089 562 HG12 VAL 81 2HG1 VAL 81 -3.085 7.206 -7.499 563 HG13 VAL 81 3HG1 VAL 81 -4.636 7.998 -7.773 564 HG21 VAL 81 1HG2 VAL 81 -6.404 6.860 -9.117 565 HG22 VAL 81 2HG2 VAL 81 -6.093 5.279 -9.833 566 HG23 VAL 81 3HG2 VAL 81 -5.302 6.714 -10.488 567 H GLY 82 H GLY 82 -1.163 6.223 -9.044 568 HA2 GLY 82 1HA GLY 82 -1.316 7.719 -11.520 569 HA3 GLY 82 2HA GLY 82 -0.010 7.762 -10.345 570 H SER 83 H SER 83 0.228 4.842 -10.327 571 HA SER 83 HA SER 83 2.092 4.510 -12.443 572 HB2 SER 83 1HB SER 83 0.865 2.396 -10.643 573 HB3 SER 83 2HB SER 83 2.366 2.256 -11.559 574 HG SER 83 HG SER 83 3.301 3.069 -9.884 575 H GLY 84 H GLY 84 -1.293 3.916 -12.095 576 HA2 GLY 84 1HA GLY 84 -2.827 3.490 -13.787 577 HA3 GLY 84 2HA GLY 84 -1.495 3.180 -14.888 578 H LEU 85 H LEU 85 -0.624 1.313 -12.458 579 HA LEU 85 HA LEU 85 -1.358 -1.103 -13.680 580 HB2 LEU 85 1HB LEU 85 -0.206 -0.431 -10.984 581 HB3 LEU 85 2HB LEU 85 -0.645 -2.082 -11.373 582 HG LEU 85 HG LEU 85 0.946 -2.093 -13.240 583 HD11 LEU 85 1HD1 LEU 85 1.694 0.691 -12.357 584 HD12 LEU 85 2HD1 LEU 85 0.847 0.273 -13.848 585 HD13 LEU 85 3HD1 LEU 85 2.507 -0.268 -13.596 586 HD21 LEU 85 1HD2 LEU 85 1.741 -2.826 -11.065 587 HD22 LEU 85 2HD2 LEU 85 2.163 -1.168 -10.635 588 HD23 LEU 85 3HD2 LEU 85 3.028 -1.989 -11.935 589 H VAL 86 H VAL 86 -2.740 0.644 -10.943 590 HA VAL 86 HA VAL 86 -5.255 -0.806 -11.320 591 HB VAL 86 HB VAL 86 -5.596 -0.997 -8.850 592 HG11 VAL 86 1HG1 VAL 86 -4.223 -2.990 -8.510 593 HG12 VAL 86 2HG1 VAL 86 -3.206 -2.537 -9.878 594 HG13 VAL 86 3HG1 VAL 86 -4.899 -2.958 -10.139 595 HG21 VAL 86 1HG2 VAL 86 -3.985 0.686 -8.116 596 HG22 VAL 86 2HG2 VAL 86 -2.652 -0.322 -8.683 597 HG23 VAL 86 3HG2 VAL 86 -3.664 -0.866 -7.343 598 H ASP 87 H ASP 87 -7.090 0.394 -10.605 599 HA ASP 87 HA ASP 87 -6.560 3.271 -10.263 600 HB2 ASP 87 1HB ASP 87 -7.974 2.673 -12.194 601 HB3 ASP 87 2HB ASP 87 -9.107 1.858 -11.118 602 H ASP 88 H ASP 88 -8.405 0.561 -8.954 603 HA ASP 88 HA ASP 88 -9.106 2.158 -6.586 604 HB2 ASP 88 1HB ASP 88 -10.108 -0.581 -7.428 605 HB3 ASP 88 2HB ASP 88 -10.688 0.354 -6.056 606 H ILE 89 H ILE 89 -8.252 1.672 -4.613 607 HA ILE 89 HA ILE 89 -6.984 -0.957 -4.269 608 HB ILE 89 HB ILE 89 -5.133 -0.132 -3.053 609 HG12 ILE 89 1HG1 ILE 89 -6.136 2.716 -3.252 610 HG13 ILE 89 2HG1 ILE 89 -6.512 1.685 -1.876 611 HG21 ILE 89 1HG2 ILE 89 -3.959 1.341 -4.615 612 HG22 ILE 89 2HG2 ILE 89 -5.486 1.731 -5.406 613 HG23 ILE 89 3HG2 ILE 89 -4.854 0.084 -5.470 614 HD11 ILE 89 1HD1 ILE 89 -3.752 2.469 -2.784 615 HD12 ILE 89 2HD1 ILE 89 -4.135 1.446 -1.398 616 HD13 ILE 89 3HD1 ILE 89 -4.629 3.140 -1.409 617 H ARG 90 H ARG 90 -6.728 -1.455 -1.902 618 HA ARG 90 HA ARG 90 -8.313 0.076 -0.046 619 HB2 ARG 90 1HB ARG 90 -9.290 -2.495 -1.183 620 HB3 ARG 90 2HB ARG 90 -9.458 -2.303 0.557 621 HG2 ARG 90 1HG ARG 90 -11.011 -0.636 0.376 622 HG3 ARG 90 2HG ARG 90 -10.383 -0.061 -1.170 623 HD2 ARG 90 1HD ARG 90 -11.367 -1.979 -2.307 624 HD3 ARG 90 2HD ARG 90 -11.934 -2.625 -0.767 625 HE ARG 90 HE ARG 90 -13.746 -1.272 -0.949 626 HH11 ARG 90 1HH1 ARG 90 -11.193 0.221 -2.869 627 HH12 ARG 90 2HH1 ARG 90 -12.239 1.470 -3.480 628 HH21 ARG 90 1HH2 ARG 90 -15.082 0.377 -1.798 629 HH22 ARG 90 2HH2 ARG 90 -14.401 1.568 -2.872 630 H ILE 91 H ILE 91 -6.782 0.307 1.412 631 HA ILE 91 HA ILE 91 -5.090 -1.931 2.225 632 HB ILE 91 HB ILE 91 -5.096 0.978 3.098 633 HG12 ILE 91 1HG1 ILE 91 -3.174 -0.565 1.329 634 HG13 ILE 91 2HG1 ILE 91 -4.329 0.646 0.779 635 HG21 ILE 91 1HG2 ILE 91 -4.320 -0.488 4.900 636 HG22 ILE 91 2HG2 ILE 91 -2.996 0.481 4.254 637 HG23 ILE 91 3HG2 ILE 91 -3.145 -1.219 3.807 638 HD11 ILE 91 1HD1 ILE 91 -1.993 1.134 2.614 639 HD12 ILE 91 2HD1 ILE 91 -3.148 2.349 2.066 640 HD13 ILE 91 3HD1 ILE 91 -2.087 1.552 0.906 641 H ASN 92 H ASN 92 -5.866 -3.248 3.735 642 HA ASN 92 HA ASN 92 -7.883 -2.192 5.596 643 HB2 ASN 92 1HB ASN 92 -8.615 -4.522 5.872 644 HB3 ASN 92 2HB ASN 92 -8.691 -4.004 4.195 645 HD21 ASN 92 1HD2 ASN 92 -6.354 -7.092 5.313 646 HD22 ASN 92 2HD2 ASN 92 -7.262 -6.155 6.448 647 H TRP 93 H TRP 93 -7.714 -2.506 7.763 648 HA TRP 93 HA TRP 93 -4.982 -3.101 8.702 649 HB2 TRP 93 2HB TRP 93 -7.002 -1.515 10.280 650 HB3 TRP 93 1HB TRP 93 -5.244 -1.429 10.329 651 HD1 TRP 93 1HD TRP 93 -4.059 0.239 8.636 652 HE1 TRP 93 1HE TRP 93 -4.958 2.029 7.010 653 HE3 TRP 93 3HE TRP 93 -9.021 -1.006 8.687 654 HZ2 TRP 93 2HZ TRP 93 -7.423 2.805 5.904 655 HZ3 TRP 93 3HZ TRP 93 -10.582 0.311 7.315 656 HH2 TRP 93 2HH TRP 93 -9.796 2.180 5.951 657 H VAL 94 H VAL 94 -4.938 -5.137 9.486 658 HA VAL 94 HA VAL 94 -7.251 -6.061 11.075 659 HB VAL 94 HB VAL 94 -6.431 -8.399 10.546 660 HG11 VAL 94 1HG1 VAL 94 -7.483 -8.437 8.345 661 HG12 VAL 94 2HG1 VAL 94 -7.328 -6.685 8.229 662 HG13 VAL 94 3HG1 VAL 94 -8.375 -7.399 9.456 663 HG21 VAL 94 1HG2 VAL 94 -4.151 -7.849 9.846 664 HG22 VAL 94 2HG2 VAL 94 -4.777 -6.926 8.481 665 HG23 VAL 94 3HG2 VAL 94 -5.015 -8.672 8.548 666 H TRP 95 H TRP 95 -6.985 -6.494 13.103 667 HA TRP 95 HA TRP 95 -4.530 -7.684 14.092 668 HB2 TRP 95 2HB TRP 95 -4.312 -6.082 15.957 669 HB3 TRP 95 1HB TRP 95 -4.099 -5.296 14.400 670 HD1 TRP 95 1HD TRP 95 -6.604 -4.129 13.477 671 HE1 TRP 95 1HE TRP 95 -8.149 -2.611 14.865 672 HE3 TRP 95 3HE TRP 95 -5.057 -5.467 18.168 673 HZ2 TRP 95 2HZ TRP 95 -8.653 -2.060 17.588 674 HZ3 TRP 95 3HZ TRP 95 -6.120 -4.395 20.111 675 HH2 TRP 95 2HH TRP 95 -7.881 -2.727 19.823 676 H ASN 96 H ASN 96 -7.657 -8.005 13.779 677 HA ASN 96 HA ASN 96 -8.084 -9.639 16.038 678 HB2 ASN 96 1HB ASN 96 -9.175 -6.855 16.160 679 HB3 ASN 96 2HB ASN 96 -10.209 -8.159 16.728 680 HD21 ASN 96 1HD2 ASN 96 -8.063 -6.706 19.466 681 HD22 ASN 96 2HD2 ASN 96 -9.017 -5.970 18.225 682 HA PRO 97 HA PRO 97 -12.184 -9.574 13.639 683 HB2 PRO 97 2HB PRO 97 -12.748 -7.766 11.741 684 HB3 PRO 97 1HB PRO 97 -12.868 -7.361 13.459 685 HG2 PRO 97 2HG PRO 97 -10.654 -6.751 11.525 686 HG3 PRO 97 1HG PRO 97 -11.411 -5.690 12.729 687 HD2 PRO 97 2HD PRO 97 -9.039 -6.997 13.140 688 HD3 PRO 97 1HD PRO 97 -10.142 -6.533 14.449 689 HA PRO 98 HA PRO 98 -11.051 -11.914 10.000 690 HB2 PRO 98 2HB PRO 98 -13.877 -11.816 9.157 691 HB3 PRO 98 1HB PRO 98 -12.901 -13.207 9.634 692 HG2 PRO 98 2HG PRO 98 -14.874 -12.258 11.199 693 HG3 PRO 98 1HG PRO 98 -13.388 -12.947 11.882 694 HD2 PRO 98 2HD PRO 98 -14.153 -10.066 11.519 695 HD3 PRO 98 1HD PRO 98 -13.378 -10.858 12.910 696 H TRP 99 H TRP 99 -10.397 -11.425 7.989 697 HA TRP 99 HA TRP 99 -10.370 -8.840 7.015 698 HB2 TRP 99 2HB TRP 99 -10.056 -11.364 5.369 699 HB3 TRP 99 1HB TRP 99 -9.435 -9.767 4.969 700 HD1 TRP 99 1HD TRP 99 -7.210 -8.961 6.226 701 HE1 TRP 99 1HE TRP 99 -5.435 -10.234 7.575 702 HE3 TRP 99 3HE TRP 99 -9.750 -13.335 6.990 703 HZ2 TRP 99 2HZ TRP 99 -5.142 -12.752 8.806 704 HZ3 TRP 99 3HZ TRP 99 -8.647 -15.128 8.263 705 HH2 TRP 99 2HH TRP 99 -6.388 -14.841 9.152 706 H GLY 100 H GLY 100 -12.070 -7.677 6.433 707 HA2 GLY 100 1HA GLY 100 -13.660 -8.213 4.187 708 HA3 GLY 100 2HA GLY 100 -14.569 -8.683 5.618 709 HA PRO 101 HA PRO 101 -15.914 -4.526 6.321 710 HB2 PRO 101 2HB PRO 101 -14.959 -4.692 9.135 711 HB3 PRO 101 1HB PRO 101 -16.583 -4.379 8.515 712 HG2 PRO 101 2HG PRO 101 -15.969 -6.735 9.621 713 HG3 PRO 101 1HG PRO 101 -17.052 -6.634 8.218 714 HD2 PRO 101 2HD PRO 101 -14.160 -7.421 8.331 715 HD3 PRO 101 1HD PRO 101 -15.481 -8.119 7.369 716 H ASP 102 H ASP 102 -12.801 -5.372 7.729 717 HA ASP 102 HA ASP 102 -11.686 -2.830 8.026 718 HB2 ASP 102 1HB ASP 102 -9.467 -4.114 7.771 719 HB3 ASP 102 2HB ASP 102 -10.549 -4.616 9.067 720 H LYS 103 H LYS 103 -12.360 -4.601 5.159 721 HA LYS 103 HA LYS 103 -10.399 -3.151 3.565 722 HB2 LYS 103 1HB LYS 103 -12.393 -5.313 2.863 723 HB3 LYS 103 2HB LYS 103 -11.371 -4.518 1.668 724 HG2 LYS 103 1HG LYS 103 -9.382 -5.252 2.992 725 HG3 LYS 103 2HG LYS 103 -10.472 -6.184 4.014 726 HD2 LYS 103 1HD LYS 103 -11.044 -7.648 2.250 727 HD3 LYS 103 2HD LYS 103 -10.371 -6.567 1.025 728 HE2 LYS 103 1HE LYS 103 -8.917 -8.506 1.433 729 HE3 LYS 103 2HE LYS 103 -8.120 -6.991 1.850 730 HZ1 LYS 103 1HZ LYS 103 -8.785 -7.450 4.202 731 HZ2 LYS 103 2HZ LYS 103 -7.654 -8.528 3.556 732 HZ3 LYS 103 3HZ LYS 103 -9.274 -8.994 3.702 733 H ILE 104 H ILE 104 -13.139 -2.157 4.850 734 HA ILE 104 HA ILE 104 -14.134 -0.784 2.455 735 HB ILE 104 HB ILE 104 -15.194 -0.695 5.294 736 HG12 ILE 104 1HG1 ILE 104 -16.245 -2.182 2.863 737 HG13 ILE 104 2HG1 ILE 104 -15.418 -2.926 4.226 738 HG21 ILE 104 1HG2 ILE 104 -16.370 0.375 2.717 739 HG22 ILE 104 2HG2 ILE 104 -15.734 1.336 4.052 740 HG23 ILE 104 3HG2 ILE 104 -17.182 0.361 4.285 741 HD11 ILE 104 1HD1 ILE 104 -17.827 -3.226 4.356 742 HD12 ILE 104 2HD1 ILE 104 -18.054 -1.476 4.357 743 HD13 ILE 104 3HD1 ILE 104 -17.229 -2.261 5.704 744 H THR 105 H THR 105 -12.483 0.660 2.010 745 HA THR 105 HA THR 105 -11.425 2.389 4.077 746 HB THR 105 HB THR 105 -10.066 3.355 2.216 747 HG1 THR 105 1HG THR 105 -10.557 2.896 0.211 748 HG21 THR 105 1HG2 THR 105 -8.690 1.350 1.822 749 HG22 THR 105 2HG2 THR 105 -9.999 0.334 2.428 750 HG23 THR 105 3HG2 THR 105 -9.191 1.469 3.509 751 H GLU 106 H GLU 106 -11.100 4.793 3.167 752 HA GLU 106 HA GLU 106 -13.520 6.108 3.465 753 HB2 GLU 106 1HB GLU 106 -12.200 8.093 2.377 754 HB3 GLU 106 2HB GLU 106 -11.714 7.462 3.939 755 HG2 GLU 106 1HG GLU 106 -9.760 7.870 2.618 756 HG3 GLU 106 2HG GLU 106 -9.949 6.136 2.830 757 H ASP 107 H ASP 107 -12.012 4.905 0.580 758 HA ASP 107 HA ASP 107 -13.414 6.254 -1.409 759 HB2 ASP 107 1HB ASP 107 -11.519 4.793 -1.895 760 HB3 ASP 107 2HB ASP 107 -12.421 3.388 -1.341 761 H GLY 108 H GLY 108 -14.240 3.245 0.284 762 HA2 GLY 108 1HA GLY 108 -16.773 2.999 -1.089 763 HA3 GLY 108 2HA GLY 108 -16.162 1.954 0.182 764 H ARG 109 H ARG 109 -15.662 4.129 2.052 765 HA ARG 109 HA ARG 109 -18.248 4.002 3.271 766 HB2 ARG 109 1HB ARG 109 -16.139 3.813 4.563 767 HB3 ARG 109 2HB ARG 109 -15.785 5.497 4.201 768 HG2 ARG 109 1HG ARG 109 -16.685 5.305 6.436 769 HG3 ARG 109 2HG ARG 109 -17.825 6.176 5.407 770 HD2 ARG 109 1HD ARG 109 -19.082 4.050 5.096 771 HD3 ARG 109 2HD ARG 109 -17.989 3.277 6.244 772 HE ARG 109 HE ARG 109 -19.224 5.634 7.305 773 HH11 ARG 109 1HH1 ARG 109 -19.707 2.197 6.757 774 HH12 ARG 109 2HH1 ARG 109 -20.889 2.047 8.021 775 HH21 ARG 109 1HH2 ARG 109 -20.768 5.418 8.953 776 HH22 ARG 109 2HH2 ARG 109 -21.492 3.873 9.266 777 H GLU 110 H GLU 110 -16.245 6.721 2.091 778 HA GLU 110 HA GLU 110 -18.248 8.647 2.851 779 HB2 GLU 110 1HB GLU 110 -15.839 9.170 2.988 780 HB3 GLU 110 2HB GLU 110 -15.722 9.034 1.238 781 HG2 GLU 110 1HG GLU 110 -17.149 10.950 0.933 782 HG3 GLU 110 2HG GLU 110 -17.475 11.035 2.663 783 H GLN 111 H GLN 111 -17.286 7.020 -0.066 784 HA GLN 111 HA GLN 111 -18.980 8.800 -1.673 785 HB2 GLN 111 1HB GLN 111 -17.010 6.742 -2.674 786 HB3 GLN 111 2HB GLN 111 -17.700 8.101 -3.559 787 HG2 GLN 111 1HG GLN 111 -16.518 9.632 -1.954 788 HG3 GLN 111 2HG GLN 111 -15.714 8.208 -1.295 789 HE21 GLN 111 1HE2 GLN 111 -13.150 8.999 -3.541 790 HE22 GLN 111 2HE2 GLN 111 -13.679 8.988 -1.897 791 H LEU 112 H LEU 112 -19.929 6.601 0.084 792 HA LEU 112 HA LEU 112 -20.887 4.487 -1.578 793 HB2 LEU 112 1HB LEU 112 -20.679 4.772 1.086 794 HB3 LEU 112 2HB LEU 112 -22.352 5.248 0.902 795 HG LEU 112 HG LEU 112 -21.282 2.601 -0.089 796 HD11 LEU 112 1HD1 LEU 112 -22.231 1.602 1.924 797 HD12 LEU 112 2HD1 LEU 112 -22.657 3.205 2.530 798 HD13 LEU 112 3HD1 LEU 112 -20.962 2.758 2.329 799 HD21 LEU 112 1HD2 LEU 112 -23.369 3.317 -1.140 800 HD22 LEU 112 2HD2 LEU 112 -24.093 3.571 0.447 801 HD23 LEU 112 3HD2 LEU 112 -23.646 1.945 -0.069 802 H ARG 113 H ARG 113 -22.992 4.190 -2.360 803 HA ARG 113 HA ARG 113 -24.063 6.383 -3.718 804 HB2 ARG 113 1HB ARG 113 -24.271 3.784 -4.112 805 HB3 ARG 113 2HB ARG 113 -25.726 3.939 -3.143 806 HG2 ARG 113 1HG ARG 113 -25.196 5.494 -5.679 807 HG3 ARG 113 2HG ARG 113 -26.105 3.986 -5.605 808 HD2 ARG 113 1HD ARG 113 -26.825 6.586 -4.246 809 HD3 ARG 113 2HD ARG 113 -27.610 5.894 -5.664 810 HE ARG 113 HE ARG 113 -27.723 4.020 -3.576 811 HH11 ARG 113 1HH1 ARG 113 -29.045 7.153 -4.403 812 HH12 ARG 113 2HH1 ARG 113 -30.515 6.907 -3.519 813 HH21 ARG 113 1HH2 ARG 113 -29.627 3.706 -2.386 814 HH22 ARG 113 2HH2 ARG 113 -30.846 4.943 -2.359 815 H ALA 114 H ALA 114 -24.961 4.907 -0.659 816 HA ALA 114 HA ALA 114 -27.414 6.143 -0.183 817 HB1 ALA 114 1HB ALA 114 -26.978 5.730 2.192 818 HB2 ALA 114 2HB ALA 114 -25.281 5.414 1.830 819 HB3 ALA 114 3HB ALA 114 -26.532 4.337 1.210 820 H LEU 115 H LEU 115 -24.143 7.359 0.161 821 HA LEU 115 HA LEU 115 -24.994 9.845 1.385 822 HB2 LEU 115 1HB LEU 115 -22.313 8.915 0.329 823 HB3 LEU 115 2HB LEU 115 -22.579 10.503 1.022 824 HG LEU 115 HG LEU 115 -21.553 9.106 2.681 825 HD11 LEU 115 1HD1 LEU 115 -23.151 9.250 4.493 826 HD12 LEU 115 2HD1 LEU 115 -24.477 9.420 3.343 827 HD13 LEU 115 3HD1 LEU 115 -23.249 10.682 3.470 828 HD21 LEU 115 1HD2 LEU 115 -23.830 7.166 2.278 829 HD22 LEU 115 2HD2 LEU 115 -22.569 7.041 3.504 830 HD23 LEU 115 3HD2 LEU 115 -22.151 6.917 1.796 831 H GLY 116 H GLY 116 -24.120 8.613 -1.773 832 HA2 GLY 116 1HA GLY 116 -24.624 9.439 -3.864 833 HA3 GLY 116 2HA GLY 116 -25.467 10.775 -3.094 834 H PHE 117 H PHE 117 -22.270 10.260 -2.034 835 HA PHE 117 HA PHE 117 -21.482 12.848 -2.973 836 HB2 PHE 117 2HB PHE 117 -20.724 12.068 -0.789 837 HB3 PHE 117 1HB PHE 117 -19.905 10.697 -1.532 838 HD1 PHE 117 1HD PHE 117 -19.968 14.428 -1.683 839 HD2 PHE 117 2HD PHE 117 -17.636 10.877 -1.970 840 HE1 PHE 117 1HE PHE 117 -17.934 15.788 -1.934 841 HE2 PHE 117 2HE PHE 117 -15.599 12.233 -2.218 842 HZ PHE 117 HZ PHE 117 -15.746 14.691 -2.202 843 H THR 118 H THR 118 -20.007 13.381 -4.506 844 HA THR 118 HA THR 118 -18.591 11.326 -6.016 845 HB THR 118 HB THR 118 -20.461 13.325 -7.340 846 HG1 THR 118 1HG THR 118 -20.786 10.750 -6.473 847 HG21 THR 118 1HG2 THR 118 -18.420 12.905 -8.662 848 HG22 THR 118 2HG2 THR 118 -19.851 12.227 -9.439 849 HG23 THR 118 3HG2 THR 118 -18.730 11.170 -8.578 850 H VAL 119 H VAL 119 -16.573 12.051 -6.542 851 HA VAL 119 HA VAL 119 -15.930 14.775 -5.723 852 HB VAL 119 HB VAL 119 -14.504 13.135 -4.742 853 HG11 VAL 119 1HG1 VAL 119 -13.803 12.159 -7.512 854 HG12 VAL 119 2HG1 VAL 119 -14.813 11.311 -6.342 855 HG13 VAL 119 3HG1 VAL 119 -13.104 11.584 -5.997 856 HG21 VAL 119 1HG2 VAL 119 -13.413 15.224 -5.357 857 HG22 VAL 119 2HG2 VAL 119 -12.997 14.563 -6.939 858 HG23 VAL 119 3HG2 VAL 119 -12.283 13.876 -5.480 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 11.308 -10.161 8.476 2 H2 GLY 1 2H GLY 1 11.013 -8.904 7.389 3 H3 GLY 1 3H GLY 1 12.218 -8.738 8.558 4 HA2 GLY 1 1HA GLY 1 13.502 -10.516 7.547 5 HA3 GLY 1 2HA GLY 1 12.247 -10.694 6.329 6 HA PRO 2 HA PRO 2 15.622 -7.661 4.965 7 HB2 PRO 2 2HB PRO 2 16.181 -8.920 2.592 8 HB3 PRO 2 1HB PRO 2 17.031 -9.257 4.104 9 HG2 PRO 2 2HG PRO 2 14.774 -10.763 2.826 10 HG3 PRO 2 1HG PRO 2 16.245 -11.390 3.597 11 HD2 PRO 2 2HD PRO 2 13.873 -11.370 4.877 12 HD3 PRO 2 1HD PRO 2 15.401 -11.093 5.741 13 H GLY 3 H GLY 3 12.751 -9.044 3.616 14 HA2 GLY 3 1HA GLY 3 11.359 -6.917 2.886 15 HA3 GLY 3 2HA GLY 3 12.503 -6.993 1.552 16 H SER 4 H SER 4 12.751 -9.550 0.951 17 HA SER 4 HA SER 4 11.833 -11.142 -0.375 18 HB2 SER 4 1HB SER 4 9.901 -12.394 0.728 19 HB3 SER 4 2HB SER 4 11.376 -12.249 1.679 20 HG SER 4 HG SER 4 9.304 -10.357 1.948 21 H MET 5 H MET 5 11.199 -8.675 -1.308 22 HA MET 5 HA MET 5 8.410 -8.281 -1.756 23 HB2 MET 5 1HB MET 5 10.774 -7.153 -3.275 24 HB3 MET 5 2HB MET 5 9.120 -6.573 -3.382 25 HG2 MET 5 1HG MET 5 10.188 -5.053 -1.978 26 HG3 MET 5 2HG MET 5 9.299 -6.107 -0.879 27 HE1 MET 5 1HE MET 5 12.677 -6.856 -2.805 28 HE2 MET 5 2HE MET 5 13.856 -6.337 -1.600 29 HE3 MET 5 3HE MET 5 12.793 -5.153 -2.360 30 H SER 6 H SER 6 8.202 -7.766 -4.501 31 HA SER 6 HA SER 6 8.540 -10.438 -5.695 32 HB2 SER 6 1HB SER 6 5.941 -8.872 -5.732 33 HB3 SER 6 2HB SER 6 6.219 -10.468 -6.430 34 HG SER 6 HG SER 6 6.905 -10.868 -4.031 35 H GLU 7 H GLU 7 7.159 -7.223 -6.458 36 HA GLU 7 HA GLU 7 7.111 -6.010 -8.382 37 HB2 GLU 7 1HB GLU 7 9.967 -7.019 -8.469 38 HB3 GLU 7 2HB GLU 7 9.343 -5.760 -9.525 39 HG2 GLU 7 1HG GLU 7 10.519 -4.702 -7.748 40 HG3 GLU 7 2HG GLU 7 8.800 -4.409 -7.501 41 H THR 8 H THR 8 6.053 -8.590 -8.596 42 HA THR 8 HA THR 8 6.992 -9.920 -10.956 43 HB THR 8 HB THR 8 4.696 -11.150 -10.577 44 HG1 THR 8 1HG THR 8 3.703 -10.690 -8.700 45 HG21 THR 8 1HG2 THR 8 6.901 -11.287 -8.504 46 HG22 THR 8 2HG2 THR 8 6.908 -12.119 -10.060 47 HG23 THR 8 3HG2 THR 8 5.712 -12.546 -8.834 48 H SER 9 H SER 9 4.912 -7.287 -10.360 49 HA SER 9 HA SER 9 3.353 -7.650 -12.798 50 HB2 SER 9 1HB SER 9 2.215 -5.536 -11.967 51 HB3 SER 9 2HB SER 9 2.087 -6.929 -10.894 52 HG SER 9 HG SER 9 3.776 -4.670 -10.642 53 H ALA 10 H ALA 10 3.281 -6.087 -14.460 54 HA ALA 10 HA ALA 10 3.939 -4.436 -15.858 55 HB1 ALA 10 1HB ALA 10 3.888 -3.000 -13.851 56 HB2 ALA 10 2HB ALA 10 5.118 -2.499 -15.012 57 HB3 ALA 10 3HB ALA 10 5.586 -3.381 -13.557 58 HA PRO 11 HA PRO 11 7.820 -5.862 -17.563 59 HB2 PRO 11 2HB PRO 11 8.229 -3.951 -19.444 60 HB3 PRO 11 1HB PRO 11 6.978 -5.189 -19.618 61 HG2 PRO 11 2HG PRO 11 6.712 -2.350 -18.681 62 HG3 PRO 11 1HG PRO 11 5.691 -3.250 -19.820 63 HD2 PRO 11 2HD PRO 11 5.007 -2.888 -17.219 64 HD3 PRO 11 1HD PRO 11 4.551 -4.342 -18.131 65 H ALA 12 H ALA 12 10.047 -5.306 -17.581 66 HA ALA 12 HA ALA 12 10.976 -4.101 -15.307 67 HB1 ALA 12 1HB ALA 12 13.198 -4.205 -16.286 68 HB2 ALA 12 2HB ALA 12 12.499 -4.388 -17.895 69 HB3 ALA 12 3HB ALA 12 12.277 -5.654 -16.688 70 H GLU 13 H GLU 13 10.584 -2.596 -18.481 71 HA GLU 13 HA GLU 13 12.035 -0.258 -18.110 72 HB2 GLU 13 1HB GLU 13 9.458 -0.597 -19.663 73 HB3 GLU 13 2HB GLU 13 10.607 0.717 -19.870 74 HG2 GLU 13 1HG GLU 13 11.140 -2.200 -20.410 75 HG3 GLU 13 2HG GLU 13 10.816 -0.965 -21.624 76 H GLU 14 H GLU 14 8.594 -0.838 -17.451 77 HA GLU 14 HA GLU 14 8.232 1.776 -16.275 78 HB2 GLU 14 1HB GLU 14 6.356 -0.608 -16.322 79 HB3 GLU 14 2HB GLU 14 5.925 1.042 -15.889 80 HG2 GLU 14 1HG GLU 14 6.809 0.062 -18.599 81 HG3 GLU 14 2HG GLU 14 5.181 0.552 -18.129 82 H LEU 15 H LEU 15 8.352 -1.562 -15.200 83 HA LEU 15 HA LEU 15 7.467 -1.303 -12.602 84 HB2 LEU 15 1HB LEU 15 7.673 -3.453 -13.614 85 HB3 LEU 15 2HB LEU 15 9.396 -3.239 -13.864 86 HG LEU 15 HG LEU 15 9.703 -3.273 -11.379 87 HD11 LEU 15 1HD1 LEU 15 6.799 -4.098 -11.372 88 HD12 LEU 15 2HD1 LEU 15 7.468 -2.614 -10.692 89 HD13 LEU 15 3HD1 LEU 15 7.896 -4.173 -9.992 90 HD21 LEU 15 1HD2 LEU 15 8.412 -5.718 -12.584 91 HD22 LEU 15 2HD2 LEU 15 9.485 -5.687 -11.184 92 HD23 LEU 15 3HD2 LEU 15 10.100 -5.239 -12.775 93 H LEU 16 H LEU 16 10.817 -1.142 -13.793 94 HA LEU 16 HA LEU 16 12.097 -1.167 -11.331 95 HB2 LEU 16 1HB LEU 16 13.197 -1.402 -13.547 96 HB3 LEU 16 2HB LEU 16 12.978 0.317 -13.813 97 HG LEU 16 HG LEU 16 14.469 0.827 -11.942 98 HD11 LEU 16 1HD1 LEU 16 14.725 -2.169 -11.655 99 HD12 LEU 16 2HD1 LEU 16 14.017 -1.050 -10.487 100 HD13 LEU 16 3HD1 LEU 16 15.742 -0.978 -10.842 101 HD21 LEU 16 1HD2 LEU 16 16.558 0.012 -12.922 102 HD22 LEU 16 2HD2 LEU 16 15.436 0.571 -14.161 103 HD23 LEU 16 3HD2 LEU 16 15.653 -1.157 -13.885 104 H ALA 17 H ALA 17 11.345 1.731 -13.281 105 HA ALA 17 HA ALA 17 12.059 3.580 -11.260 106 HB1 ALA 17 1HB ALA 17 10.977 5.258 -12.673 107 HB2 ALA 17 2HB ALA 17 10.231 3.983 -13.639 108 HB3 ALA 17 3HB ALA 17 11.984 4.179 -13.637 109 H ASP 18 H ASP 18 9.010 2.082 -12.182 110 HA ASP 18 HA ASP 18 7.234 3.684 -10.716 111 HB2 ASP 18 1HB ASP 18 6.640 2.041 -12.508 112 HB3 ASP 18 2HB ASP 18 6.985 0.735 -11.387 113 H VAL 19 H VAL 19 8.794 0.607 -9.856 114 HA VAL 19 HA VAL 19 7.678 0.566 -7.227 115 HB VAL 19 HB VAL 19 8.423 -1.493 -8.532 116 HG11 VAL 19 1HG1 VAL 19 11.148 -0.627 -7.565 117 HG12 VAL 19 2HG1 VAL 19 10.619 -0.746 -9.245 118 HG13 VAL 19 3HG1 VAL 19 10.760 -2.203 -8.260 119 HG21 VAL 19 1HG2 VAL 19 7.778 -1.580 -6.179 120 HG22 VAL 19 2HG2 VAL 19 9.427 -1.178 -5.700 121 HG23 VAL 19 3HG2 VAL 19 9.092 -2.706 -6.515 122 H GLU 20 H GLU 20 10.665 1.672 -8.695 123 HA GLU 20 HA GLU 20 12.185 2.159 -6.401 124 HB2 GLU 20 1HB GLU 20 13.064 2.317 -8.694 125 HB3 GLU 20 2HB GLU 20 12.076 3.741 -8.983 126 HG2 GLU 20 1HG GLU 20 13.337 4.985 -7.322 127 HG3 GLU 20 2HG GLU 20 14.293 3.552 -6.947 128 H GLU 21 H GLU 21 9.667 4.108 -7.965 129 HA GLU 21 HA GLU 21 9.867 6.322 -6.162 130 HB2 GLU 21 1HB GLU 21 7.558 5.439 -7.920 131 HB3 GLU 21 2HB GLU 21 7.675 6.994 -7.108 132 HG2 GLU 21 1HG GLU 21 9.631 7.564 -8.447 133 HG3 GLU 21 2HG GLU 21 9.556 5.990 -9.241 134 H ALA 22 H ALA 22 7.598 3.587 -6.459 135 HA ALA 22 HA ALA 22 5.887 4.262 -4.368 136 HB1 ALA 22 1HB ALA 22 5.206 1.906 -4.374 137 HB2 ALA 22 2HB ALA 22 6.631 1.499 -5.334 138 HB3 ALA 22 3HB ALA 22 5.375 2.534 -6.015 139 H MET 23 H MET 23 8.753 2.193 -4.320 140 HA MET 23 HA MET 23 8.627 1.350 -1.667 141 HB2 MET 23 1HB MET 23 10.979 1.686 -3.532 142 HB3 MET 23 2HB MET 23 11.139 0.999 -1.922 143 HG2 MET 23 1HG MET 23 9.439 -0.114 -4.154 144 HG3 MET 23 2HG MET 23 11.006 -0.728 -3.631 145 HE1 MET 23 1HE MET 23 10.002 -3.178 -3.340 146 HE2 MET 23 2HE MET 23 8.450 -2.567 -3.913 147 HE3 MET 23 3HE MET 23 8.529 -3.516 -2.431 148 H ARG 24 H ARG 24 9.290 4.473 -2.854 149 HA ARG 24 HA ARG 24 10.863 5.305 -0.544 150 HB2 ARG 24 1HB ARG 24 11.300 6.265 -2.793 151 HB3 ARG 24 2HB ARG 24 9.681 6.951 -2.800 152 HG2 ARG 24 1HG ARG 24 10.304 8.275 -0.772 153 HG3 ARG 24 2HG ARG 24 11.954 7.675 -0.949 154 HD2 ARG 24 1HD ARG 24 11.999 8.659 -3.241 155 HD3 ARG 24 2HD ARG 24 10.411 9.362 -2.925 156 HE ARG 24 HE ARG 24 12.862 10.037 -1.417 157 HH11 ARG 24 1HH1 ARG 24 9.738 10.917 -2.742 158 HH12 ARG 24 2HH1 ARG 24 9.873 12.588 -2.285 159 HH21 ARG 24 1HH2 ARG 24 13.034 12.239 -0.802 160 HH22 ARG 24 2HH2 ARG 24 11.734 13.332 -1.172 161 H ASP 25 H ASP 25 7.550 5.453 -1.727 162 HA ASP 25 HA ASP 25 6.808 7.443 0.282 163 HB2 ASP 25 1HB ASP 25 5.203 6.162 -1.947 164 HB3 ASP 25 2HB ASP 25 4.573 7.379 -0.842 165 H VAL 26 H VAL 26 6.544 4.024 -0.281 166 HA VAL 26 HA VAL 26 4.539 3.731 1.848 167 HB VAL 26 HB VAL 26 4.331 1.406 1.141 168 HG11 VAL 26 1HG1 VAL 26 4.260 3.293 -1.219 169 HG12 VAL 26 2HG1 VAL 26 2.998 3.118 -0.003 170 HG13 VAL 26 3HG1 VAL 26 3.378 1.771 -1.078 171 HG21 VAL 26 1HG2 VAL 26 6.623 0.918 0.505 172 HG22 VAL 26 2HG2 VAL 26 6.524 2.049 -0.843 173 HG23 VAL 26 3HG2 VAL 26 5.555 0.576 -0.857 174 H VAL 27 H VAL 27 7.329 4.492 2.395 175 HA VAL 27 HA VAL 27 8.019 2.326 4.253 176 HB VAL 27 HB VAL 27 9.393 2.164 2.097 177 HG11 VAL 27 1HG1 VAL 27 9.722 4.562 1.739 178 HG12 VAL 27 2HG1 VAL 27 11.259 3.705 1.827 179 HG13 VAL 27 3HG1 VAL 27 10.701 4.654 3.204 180 HG21 VAL 27 1HG2 VAL 27 10.873 2.546 4.703 181 HG22 VAL 27 2HG2 VAL 27 11.495 1.703 3.284 182 HG23 VAL 27 3HG2 VAL 27 10.098 1.061 4.148 183 H ASP 28 H ASP 28 9.512 3.066 5.963 184 HA ASP 28 HA ASP 28 9.385 5.979 6.420 185 HB2 ASP 28 1HB ASP 28 9.256 3.614 8.259 186 HB3 ASP 28 2HB ASP 28 10.000 5.087 8.865 187 HA PRO 29 HA PRO 29 13.715 4.844 5.442 188 HB2 PRO 29 2HB PRO 29 14.309 6.894 3.819 189 HB3 PRO 29 1HB PRO 29 13.269 5.571 3.280 190 HG2 PRO 29 2HG PRO 29 12.511 8.313 4.204 191 HG3 PRO 29 1HG PRO 29 11.845 7.357 2.868 192 HD2 PRO 29 2HD PRO 29 10.698 7.585 5.385 193 HD3 PRO 29 1HD PRO 29 10.383 6.264 4.244 194 H GLU 30 H GLU 30 12.522 6.840 7.600 195 HA GLU 30 HA GLU 30 14.414 8.881 7.994 196 HB2 GLU 30 1HB GLU 30 12.827 7.439 10.138 197 HB3 GLU 30 2HB GLU 30 13.479 9.072 10.219 198 HG2 GLU 30 1HG GLU 30 11.296 8.136 8.356 199 HG3 GLU 30 2HG GLU 30 11.064 9.065 9.836 200 H LEU 31 H LEU 31 14.083 5.801 9.769 201 HA LEU 31 HA LEU 31 17.019 5.721 10.062 202 HB2 LEU 31 1HB LEU 31 14.885 4.517 11.836 203 HB3 LEU 31 2HB LEU 31 16.605 4.228 12.020 204 HG LEU 31 HG LEU 31 15.216 6.899 12.329 205 HD11 LEU 31 1HD1 LEU 31 15.829 6.678 14.692 206 HD12 LEU 31 2HD1 LEU 31 16.480 5.070 14.374 207 HD13 LEU 31 3HD1 LEU 31 14.754 5.379 14.175 208 HD21 LEU 31 1HD2 LEU 31 17.458 7.183 11.418 209 HD22 LEU 31 2HD2 LEU 31 18.124 6.161 12.692 210 HD23 LEU 31 3HD2 LEU 31 17.400 7.718 13.098 211 H GLY 32 H GLY 32 14.679 4.545 8.192 212 HA2 GLY 32 1HA GLY 32 14.989 2.863 6.575 213 HA3 GLY 32 2HA GLY 32 16.182 2.105 7.617 214 H ILE 33 H ILE 33 12.896 3.100 8.475 215 HA ILE 33 HA ILE 33 12.297 0.374 9.325 216 HB ILE 33 HB ILE 33 10.536 2.835 9.513 217 HG12 ILE 33 1HG1 ILE 33 11.126 2.604 12.027 218 HG13 ILE 33 2HG1 ILE 33 12.494 1.643 11.480 219 HG21 ILE 33 1HG2 ILE 33 10.273 0.148 10.865 220 HG22 ILE 33 2HG2 ILE 33 9.274 0.746 9.541 221 HG23 ILE 33 3HG2 ILE 33 9.217 1.539 11.114 222 HD11 ILE 33 1HD1 ILE 33 13.318 3.541 10.195 223 HD12 ILE 33 2HD1 ILE 33 13.119 3.953 11.898 224 HD13 ILE 33 3HD1 ILE 33 11.932 4.501 10.714 225 H ASN 34 H ASN 34 10.739 -0.908 8.359 226 HA ASN 34 HA ASN 34 9.360 0.118 5.992 227 HB2 ASN 34 1HB ASN 34 11.605 -0.810 5.274 228 HB3 ASN 34 2HB ASN 34 11.070 -2.385 5.850 229 HD21 ASN 34 1HD2 ASN 34 10.444 -2.001 2.183 230 HD22 ASN 34 2HD2 ASN 34 11.825 -1.744 3.191 231 H VAL 35 H VAL 35 7.313 -0.499 6.160 232 HA VAL 35 HA VAL 35 6.356 -2.304 8.073 233 HB VAL 35 HB VAL 35 4.186 -2.123 6.935 234 HG11 VAL 35 1HG1 VAL 35 3.965 0.352 7.045 235 HG12 VAL 35 2HG1 VAL 35 5.725 0.482 7.125 236 HG13 VAL 35 3HG1 VAL 35 4.840 -0.323 8.421 237 HG21 VAL 35 1HG2 VAL 35 5.689 -0.631 4.768 238 HG22 VAL 35 2HG2 VAL 35 3.939 -0.845 4.864 239 HG23 VAL 35 3HG2 VAL 35 4.985 -2.241 4.608 240 H VAL 36 H VAL 36 7.332 -2.759 4.743 241 HA VAL 36 HA VAL 36 6.266 -5.299 4.235 242 HB VAL 36 HB VAL 36 8.869 -4.115 3.218 243 HG11 VAL 36 1HG1 VAL 36 8.674 -5.673 1.349 244 HG12 VAL 36 2HG1 VAL 36 7.218 -6.370 2.060 245 HG13 VAL 36 3HG1 VAL 36 8.771 -6.547 2.879 246 HG21 VAL 36 1HG2 VAL 36 6.092 -4.058 2.013 247 HG22 VAL 36 2HG2 VAL 36 7.557 -3.436 1.253 248 HG23 VAL 36 3HG2 VAL 36 6.945 -2.689 2.728 249 H ASP 37 H ASP 37 8.936 -4.277 6.195 250 HA ASP 37 HA ASP 37 10.450 -6.629 6.344 251 HB2 ASP 37 1HB ASP 37 11.375 -4.608 7.202 252 HB3 ASP 37 2HB ASP 37 10.010 -4.353 8.280 253 H LEU 38 H LEU 38 7.390 -5.778 7.789 254 HA LEU 38 HA LEU 38 7.476 -7.838 9.810 255 HB2 LEU 38 1HB LEU 38 5.248 -6.069 8.795 256 HB3 LEU 38 2HB LEU 38 5.004 -7.283 10.036 257 HG LEU 38 HG LEU 38 5.243 -5.138 11.090 258 HD11 LEU 38 1HD1 LEU 38 7.132 -5.549 12.581 259 HD12 LEU 38 2HD1 LEU 38 7.758 -6.757 11.459 260 HD13 LEU 38 3HD1 LEU 38 6.214 -7.023 12.270 261 HD21 LEU 38 1HD2 LEU 38 7.246 -3.759 10.875 262 HD22 LEU 38 2HD2 LEU 38 6.437 -3.955 9.320 263 HD23 LEU 38 3HD2 LEU 38 7.898 -4.878 9.675 264 H GLY 39 H GLY 39 7.039 -7.882 6.517 265 HA2 GLY 39 1HA GLY 39 6.378 -9.483 5.020 266 HA3 GLY 39 2HA GLY 39 6.523 -10.625 6.346 267 H LEU 40 H LEU 40 4.314 -7.991 6.694 268 HA LEU 40 HA LEU 40 2.082 -9.869 6.567 269 HB2 LEU 40 1HB LEU 40 2.300 -8.394 8.531 270 HB3 LEU 40 2HB LEU 40 2.152 -6.991 7.490 271 HG LEU 40 HG LEU 40 -0.150 -7.600 6.933 272 HD11 LEU 40 1HD1 LEU 40 0.046 -10.032 7.032 273 HD12 LEU 40 2HD1 LEU 40 -1.279 -9.464 8.047 274 HD13 LEU 40 3HD1 LEU 40 0.246 -9.958 8.784 275 HD21 LEU 40 1HD2 LEU 40 -1.166 -7.249 9.131 276 HD22 LEU 40 2HD2 LEU 40 0.232 -6.204 8.892 277 HD23 LEU 40 3HD2 LEU 40 0.369 -7.640 9.908 278 H VAL 41 H VAL 41 3.465 -7.219 4.836 279 HA VAL 41 HA VAL 41 1.265 -6.385 3.296 280 HB VAL 41 HB VAL 41 3.441 -5.173 3.484 281 HG11 VAL 41 1HG1 VAL 41 4.442 -7.279 1.567 282 HG12 VAL 41 2HG1 VAL 41 4.950 -7.067 3.242 283 HG13 VAL 41 3HG1 VAL 41 5.314 -5.824 2.047 284 HG21 VAL 41 1HG2 VAL 41 2.558 -5.742 0.648 285 HG22 VAL 41 2HG2 VAL 41 3.498 -4.347 1.178 286 HG23 VAL 41 3HG2 VAL 41 1.840 -4.558 1.741 287 H TYR 42 H TYR 42 2.951 -9.308 3.299 288 HA TYR 42 HA TYR 42 2.763 -10.127 0.614 289 HB2 TYR 42 2HB TYR 42 4.121 -11.305 2.315 290 HB3 TYR 42 1HB TYR 42 2.650 -11.821 3.128 291 HD1 TYR 42 1HD TYR 42 1.712 -13.897 2.579 292 HD2 TYR 42 2HD TYR 42 4.366 -12.033 -0.187 293 HE1 TYR 42 1HE TYR 42 1.641 -15.902 1.159 294 HE2 TYR 42 2HE TYR 42 4.298 -14.037 -1.607 295 HH TYR 42 HH TYR 42 2.007 -16.504 -1.186 296 H GLY 43 H GLY 43 0.371 -9.554 2.963 297 HA2 GLY 43 1HA GLY 43 -1.676 -11.235 1.846 298 HA3 GLY 43 2HA GLY 43 -1.905 -9.919 2.993 299 H LEU 44 H LEU 44 -0.996 -10.449 -0.400 300 HA LEU 44 HA LEU 44 -2.625 -8.102 -1.101 301 HB2 LEU 44 1HB LEU 44 -1.055 -7.824 -3.069 302 HB3 LEU 44 2HB LEU 44 -0.415 -7.413 -1.493 303 HG LEU 44 HG LEU 44 0.628 -9.780 -1.510 304 HD11 LEU 44 1HD1 LEU 44 1.158 -10.661 -3.739 305 HD12 LEU 44 2HD1 LEU 44 0.079 -9.467 -4.460 306 HD13 LEU 44 3HD1 LEU 44 -0.568 -10.714 -3.396 307 HD21 LEU 44 1HD2 LEU 44 1.925 -7.729 -1.656 308 HD22 LEU 44 2HD2 LEU 44 1.634 -7.645 -3.392 309 HD23 LEU 44 3HD2 LEU 44 2.595 -8.963 -2.722 310 H ASP 45 H ASP 45 -3.982 -8.271 -2.825 311 HA ASP 45 HA ASP 45 -3.959 -10.512 -4.614 312 HB2 ASP 45 1HB ASP 45 -4.940 -11.651 -2.705 313 HB3 ASP 45 2HB ASP 45 -6.111 -10.355 -2.483 314 H VAL 46 H VAL 46 -4.393 -9.472 -6.439 315 HA VAL 46 HA VAL 46 -6.170 -7.146 -6.400 316 HB VAL 46 HB VAL 46 -4.514 -8.194 -8.694 317 HG11 VAL 46 1HG1 VAL 46 -6.359 -6.768 -9.393 318 HG12 VAL 46 2HG1 VAL 46 -4.815 -5.955 -9.643 319 HG13 VAL 46 3HG1 VAL 46 -5.831 -5.514 -8.271 320 HG21 VAL 46 1HG2 VAL 46 -3.818 -6.051 -6.689 321 HG22 VAL 46 2HG2 VAL 46 -2.888 -6.431 -8.139 322 HG23 VAL 46 3HG2 VAL 46 -3.042 -7.626 -6.851 323 H GLN 47 H GLN 47 -8.207 -7.258 -7.098 324 HA GLN 47 HA GLN 47 -9.012 -9.547 -8.778 325 HB2 GLN 47 1HB GLN 47 -10.596 -8.191 -6.579 326 HB3 GLN 47 2HB GLN 47 -11.248 -9.397 -7.681 327 HG2 GLN 47 1HG GLN 47 -9.632 -11.038 -6.826 328 HG3 GLN 47 2HG GLN 47 -9.021 -9.830 -5.695 329 HE21 GLN 47 1HE2 GLN 47 -11.203 -11.308 -3.411 330 HE22 GLN 47 2HE2 GLN 47 -9.566 -11.086 -3.920 331 H ASP 48 H ASP 48 -10.010 -9.070 -10.623 332 HA ASP 48 HA ASP 48 -10.751 -6.299 -11.188 333 HB2 ASP 48 1HB ASP 48 -10.915 -6.945 -13.495 334 HB3 ASP 48 2HB ASP 48 -9.440 -7.669 -12.863 335 H GLY 49 H GLY 49 -12.866 -5.696 -11.775 336 HA2 GLY 49 1HA GLY 49 -15.000 -7.660 -11.708 337 HA3 GLY 49 2HA GLY 49 -14.967 -6.572 -10.325 338 H ASP 50 H ASP 50 -17.187 -6.426 -11.625 339 HA ASP 50 HA ASP 50 -17.471 -4.919 -13.926 340 HB2 ASP 50 1HB ASP 50 -19.239 -4.882 -11.461 341 HB3 ASP 50 2HB ASP 50 -19.707 -4.293 -13.053 342 H GLU 51 H GLU 51 -16.981 -3.844 -10.619 343 HA GLU 51 HA GLU 51 -17.288 -1.046 -11.378 344 HB2 GLU 51 1HB GLU 51 -17.194 -0.624 -8.933 345 HB3 GLU 51 2HB GLU 51 -18.468 -1.744 -9.394 346 HG2 GLU 51 1HG GLU 51 -16.953 -3.621 -8.729 347 HG3 GLU 51 2HG GLU 51 -15.826 -2.417 -8.106 348 H GLY 52 H GLY 52 -14.860 -2.908 -11.937 349 HA2 GLY 52 1HA GLY 52 -12.850 -1.669 -12.646 350 HA3 GLY 52 2HA GLY 52 -12.855 -0.908 -11.064 351 H THR 53 H THR 53 -10.558 -1.952 -11.744 352 HA THR 53 HA THR 53 -10.369 -4.632 -10.537 353 HB THR 53 HB THR 53 -8.168 -3.088 -11.941 354 HG1 THR 53 1HG THR 53 -10.380 -4.256 -12.989 355 HG21 THR 53 1HG2 THR 53 -7.144 -5.296 -12.204 356 HG22 THR 53 2HG2 THR 53 -8.504 -6.041 -11.363 357 HG23 THR 53 3HG2 THR 53 -7.427 -4.943 -10.499 358 H VAL 54 H VAL 54 -10.084 -4.549 -8.380 359 HA VAL 54 HA VAL 54 -8.536 -2.313 -7.241 360 HB VAL 54 HB VAL 54 -9.615 -2.843 -5.082 361 HG11 VAL 54 1HG1 VAL 54 -11.864 -2.019 -5.651 362 HG12 VAL 54 2HG1 VAL 54 -11.549 -2.354 -7.355 363 HG13 VAL 54 3HG1 VAL 54 -10.598 -1.135 -6.504 364 HG21 VAL 54 1HG2 VAL 54 -11.186 -4.873 -6.684 365 HG22 VAL 54 2HG2 VAL 54 -11.567 -4.372 -5.036 366 HG23 VAL 54 3HG2 VAL 54 -10.053 -5.213 -5.374 367 H ALA 55 H ALA 55 -6.718 -2.663 -6.129 368 HA ALA 55 HA ALA 55 -5.692 -5.398 -5.909 369 HB1 ALA 55 1HB ALA 55 -3.559 -4.312 -5.369 370 HB2 ALA 55 2HB ALA 55 -4.347 -2.734 -5.387 371 HB3 ALA 55 3HB ALA 55 -4.233 -3.679 -6.868 372 H LEU 56 H LEU 56 -6.511 -6.382 -4.088 373 HA LEU 56 HA LEU 56 -7.030 -5.003 -1.641 374 HB2 LEU 56 1HB LEU 56 -6.651 -7.977 -2.063 375 HB3 LEU 56 2HB LEU 56 -7.412 -7.211 -0.681 376 HG LEU 56 HG LEU 56 -8.489 -7.224 -3.510 377 HD11 LEU 56 1HD1 LEU 56 -8.643 -9.401 -2.401 378 HD12 LEU 56 2HD1 LEU 56 -10.232 -8.674 -2.633 379 HD13 LEU 56 3HD1 LEU 56 -9.475 -8.649 -1.039 380 HD21 LEU 56 1HD2 LEU 56 -10.496 -6.199 -2.552 381 HD22 LEU 56 2HD2 LEU 56 -9.085 -5.162 -2.347 382 HD23 LEU 56 3HD2 LEU 56 -9.698 -6.095 -0.981 383 H ILE 57 H ILE 57 -5.479 -4.201 -0.383 384 HA ILE 57 HA ILE 57 -2.945 -5.692 -0.108 385 HB ILE 57 HB ILE 57 -3.313 -2.685 0.043 386 HG12 ILE 57 1HG1 ILE 57 -1.940 -4.372 -2.076 387 HG13 ILE 57 2HG1 ILE 57 -3.497 -3.571 -2.267 388 HG21 ILE 57 1HG2 ILE 57 -1.557 -3.489 1.538 389 HG22 ILE 57 2HG2 ILE 57 -0.863 -2.597 0.185 390 HG23 ILE 57 3HG2 ILE 57 -0.803 -4.360 0.203 391 HD11 ILE 57 1HD1 ILE 57 -1.746 -2.312 -3.353 392 HD12 ILE 57 2HD1 ILE 57 -0.838 -2.225 -1.844 393 HD13 ILE 57 3HD1 ILE 57 -2.390 -1.400 -1.988 394 H ASP 58 H ASP 58 -2.828 -6.573 1.846 395 HA ASP 58 HA ASP 58 -4.377 -5.462 4.049 396 HB2 ASP 58 1HB ASP 58 -2.721 -8.001 3.904 397 HB3 ASP 58 2HB ASP 58 -3.790 -7.544 5.229 398 H MET 59 H MET 59 -3.508 -4.042 5.386 399 HA MET 59 HA MET 59 -0.601 -4.096 5.883 400 HB2 MET 59 1HB MET 59 -2.360 -1.659 5.482 401 HB3 MET 59 2HB MET 59 -0.690 -1.601 6.028 402 HG2 MET 59 1HG MET 59 0.035 -2.600 3.914 403 HG3 MET 59 2HG MET 59 -1.641 -2.653 3.368 404 HE1 MET 59 1HE MET 59 0.627 1.293 4.195 405 HE2 MET 59 2HE MET 59 1.345 -0.302 4.421 406 HE3 MET 59 3HE MET 59 0.034 0.233 5.474 407 H THR 60 H THR 60 -0.074 -2.722 7.894 408 HA THR 60 HA THR 60 -2.171 -2.956 9.932 409 HB THR 60 HB THR 60 -0.774 -5.010 10.051 410 HG1 THR 60 1HG THR 60 -1.528 -4.596 12.019 411 HG21 THR 60 1HG2 THR 60 1.549 -4.873 10.805 412 HG22 THR 60 2HG2 THR 60 1.480 -3.110 10.751 413 HG23 THR 60 3HG2 THR 60 1.353 -4.044 9.259 414 H LEU 61 H LEU 61 -1.955 -1.551 11.659 415 HA LEU 61 HA LEU 61 0.206 0.453 11.515 416 HB2 LEU 61 1HB LEU 61 -2.660 0.802 12.444 417 HB3 LEU 61 2HB LEU 61 -1.403 1.986 12.712 418 HG LEU 61 HG LEU 61 -2.724 2.732 10.874 419 HD11 LEU 61 1HD1 LEU 61 -1.095 2.947 9.102 420 HD12 LEU 61 2HD1 LEU 61 -0.172 1.587 9.745 421 HD13 LEU 61 3HD1 LEU 61 -0.301 3.083 10.671 422 HD21 LEU 61 1HD2 LEU 61 -3.737 0.575 10.268 423 HD22 LEU 61 2HD2 LEU 61 -2.218 0.083 9.515 424 HD23 LEU 61 3HD2 LEU 61 -3.126 1.446 8.861 425 H THR 62 H THR 62 1.085 1.106 13.540 426 HA THR 62 HA THR 62 1.878 -0.904 15.152 427 HB THR 62 HB THR 62 1.514 1.937 16.129 428 HG1 THR 62 1HG THR 62 3.978 1.431 15.204 429 HG21 THR 62 1HG2 THR 62 3.511 1.457 17.484 430 HG22 THR 62 2HG2 THR 62 3.526 -0.199 16.879 431 HG23 THR 62 3HG2 THR 62 2.190 0.361 17.886 432 H SER 63 H SER 63 -0.802 1.322 16.022 433 HA SER 63 HA SER 63 -1.731 -0.726 17.945 434 HB2 SER 63 1HB SER 63 -0.982 1.409 18.999 435 HB3 SER 63 2HB SER 63 -2.200 2.273 18.065 436 HG SER 63 HG SER 63 -3.185 0.129 19.486 437 H ALA 64 H ALA 64 -2.323 0.207 14.956 438 HA ALA 64 HA ALA 64 -4.073 0.167 13.511 439 HB1 ALA 64 1HB ALA 64 -4.443 -2.034 14.522 440 HB2 ALA 64 2HB ALA 64 -5.962 -1.276 14.045 441 HB3 ALA 64 3HB ALA 64 -5.483 -1.300 15.743 442 H ALA 65 H ALA 65 -4.025 2.155 16.008 443 HA ALA 65 HA ALA 65 -6.615 3.412 15.345 444 HB1 ALA 65 1HB ALA 65 -5.070 3.601 17.944 445 HB2 ALA 65 2HB ALA 65 -6.548 2.673 17.688 446 HB3 ALA 65 3HB ALA 65 -6.583 4.434 17.579 447 H CYS 66 H CYS 66 -3.782 3.506 14.271 448 HA CYS 66 HA CYS 66 -2.676 6.044 14.921 449 HB2 CYS 66 2HB CYS 66 -2.098 4.413 12.442 450 HB3 CYS 66 1HB CYS 66 -1.028 5.537 13.274 451 HG CYS 66 HG CYS 66 0.028 3.854 14.905 452 HA PRO 67 HA PRO 67 -5.224 8.471 12.125 453 HB2 PRO 67 2HB PRO 67 -3.813 10.789 12.265 454 HB3 PRO 67 1HB PRO 67 -4.862 10.238 13.578 455 HG2 PRO 67 2HG PRO 67 -1.884 9.979 13.302 456 HG3 PRO 67 1HG PRO 67 -2.835 10.467 14.718 457 HD2 PRO 67 2HD PRO 67 -1.854 7.961 14.422 458 HD3 PRO 67 1HD PRO 67 -3.390 8.285 15.253 459 H LEU 68 H LEU 68 -2.167 7.272 11.613 460 HA LEU 68 HA LEU 68 -1.447 8.765 9.255 461 HB2 LEU 68 1HB LEU 68 -0.286 6.234 10.437 462 HB3 LEU 68 2HB LEU 68 0.409 7.125 9.095 463 HG LEU 68 HG LEU 68 0.095 8.169 11.917 464 HD11 LEU 68 1HD1 LEU 68 2.563 7.296 10.410 465 HD12 LEU 68 2HD1 LEU 68 1.793 6.418 11.732 466 HD13 LEU 68 3HD1 LEU 68 2.523 7.995 12.030 467 HD21 LEU 68 1HD2 LEU 68 1.416 9.410 9.496 468 HD22 LEU 68 2HD2 LEU 68 1.448 10.062 11.134 469 HD23 LEU 68 3HD2 LEU 68 -0.078 9.956 10.258 470 H THR 69 H THR 69 -3.778 6.524 9.764 471 HA THR 69 HA THR 69 -3.339 4.632 7.733 472 HB THR 69 HB THR 69 -4.975 4.284 9.533 473 HG1 THR 69 1HG THR 69 -6.336 4.233 7.025 474 HG21 THR 69 1HG2 THR 69 -6.688 6.309 8.074 475 HG22 THR 69 2HG2 THR 69 -5.942 6.535 9.656 476 HG23 THR 69 3HG2 THR 69 -7.195 5.314 9.441 477 H ASP 70 H ASP 70 -5.248 7.654 7.707 478 HA ASP 70 HA ASP 70 -6.021 7.578 5.015 479 HB2 ASP 70 1HB ASP 70 -6.943 9.137 6.745 480 HB3 ASP 70 2HB ASP 70 -5.436 10.040 6.699 481 H VAL 71 H VAL 71 -3.060 8.569 6.578 482 HA VAL 71 HA VAL 71 -1.882 9.916 4.385 483 HB VAL 71 HB VAL 71 -0.514 8.533 6.708 484 HG11 VAL 71 1HG1 VAL 71 1.028 8.904 4.846 485 HG12 VAL 71 2HG1 VAL 71 1.406 9.983 6.188 486 HG13 VAL 71 3HG1 VAL 71 0.555 10.601 4.773 487 HG21 VAL 71 1HG2 VAL 71 -0.396 10.786 7.699 488 HG22 VAL 71 2HG2 VAL 71 -2.061 10.258 7.463 489 HG23 VAL 71 3HG2 VAL 71 -1.341 11.422 6.350 490 H ILE 72 H ILE 72 -1.447 6.569 5.622 491 HA ILE 72 HA ILE 72 0.376 5.891 3.545 492 HB ILE 72 HB ILE 72 0.073 3.524 4.290 493 HG12 ILE 72 1HG1 ILE 72 -1.159 3.419 6.639 494 HG13 ILE 72 2HG1 ILE 72 -2.077 4.769 5.986 495 HG21 ILE 72 1HG2 ILE 72 0.621 5.540 6.469 496 HG22 ILE 72 2HG2 ILE 72 1.773 4.954 5.269 497 HG23 ILE 72 3HG2 ILE 72 1.126 3.849 6.481 498 HD11 ILE 72 1HD1 ILE 72 -3.219 2.645 5.665 499 HD12 ILE 72 2HD1 ILE 72 -1.847 2.034 4.742 500 HD13 ILE 72 3HD1 ILE 72 -2.800 3.382 4.120 501 H GLU 73 H GLU 73 -3.106 5.490 3.948 502 HA GLU 73 HA GLU 73 -3.670 4.039 1.625 503 HB2 GLU 73 1HB GLU 73 -5.246 6.185 3.070 504 HB3 GLU 73 2HB GLU 73 -5.886 5.316 1.682 505 HG2 GLU 73 1HG GLU 73 -5.737 3.219 2.872 506 HG3 GLU 73 2HG GLU 73 -4.974 4.022 4.245 507 H ASP 74 H ASP 74 -3.450 7.533 2.148 508 HA ASP 74 HA ASP 74 -4.004 8.378 -0.439 509 HB2 ASP 74 1HB ASP 74 -3.901 9.849 1.560 510 HB3 ASP 74 2HB ASP 74 -2.150 9.678 1.579 511 H GLN 75 H GLN 75 -0.822 7.744 1.051 512 HA GLN 75 HA GLN 75 0.724 8.462 -1.185 513 HB2 GLN 75 1HB GLN 75 1.443 6.425 0.944 514 HB3 GLN 75 2HB GLN 75 2.567 7.248 -0.125 515 HG2 GLN 75 1HG GLN 75 0.918 8.481 2.072 516 HG3 GLN 75 2HG GLN 75 2.663 8.246 2.053 517 HE21 GLN 75 1HE2 GLN 75 0.952 11.423 0.209 518 HE22 GLN 75 2HE2 GLN 75 0.011 10.131 0.865 519 H SER 76 H SER 76 -0.216 5.218 -0.041 520 HA SER 76 HA SER 76 0.976 3.808 -2.158 521 HB2 SER 76 1HB SER 76 0.318 2.776 -0.000 522 HB3 SER 76 2HB SER 76 -1.379 2.971 -0.436 523 HG SER 76 HG SER 76 -0.432 0.860 -0.875 524 H ARG 77 H ARG 77 -2.430 4.729 -1.636 525 HA ARG 77 HA ARG 77 -3.490 3.573 -3.948 526 HB2 ARG 77 1HB ARG 77 -4.605 4.652 -1.844 527 HB3 ARG 77 2HB ARG 77 -4.561 6.131 -2.780 528 HG2 ARG 77 1HG ARG 77 -5.797 3.682 -3.948 529 HG3 ARG 77 2HG ARG 77 -6.684 4.634 -2.761 530 HD2 ARG 77 1HD ARG 77 -6.094 6.643 -4.308 531 HD3 ARG 77 2HD ARG 77 -5.799 5.393 -5.522 532 HE ARG 77 HE ARG 77 -8.061 4.898 -5.555 533 HH11 ARG 77 1HH1 ARG 77 -7.358 7.332 -3.153 534 HH12 ARG 77 2HH1 ARG 77 -9.014 7.537 -2.677 535 HH21 ARG 77 1HH2 ARG 77 -10.253 5.161 -4.951 536 HH22 ARG 77 2HH2 ARG 77 -10.666 6.303 -3.705 537 H SER 78 H SER 78 -2.259 6.844 -3.390 538 HA SER 78 HA SER 78 -2.910 7.969 -5.862 539 HB2 SER 78 1HB SER 78 -2.157 9.202 -3.801 540 HB3 SER 78 2HB SER 78 -0.511 8.678 -4.152 541 HG SER 78 HG SER 78 -1.656 10.818 -5.026 542 H ALA 79 H ALA 79 0.020 6.221 -4.825 543 HA ALA 79 HA ALA 79 1.412 6.716 -7.276 544 HB1 ALA 79 1HB ALA 79 1.947 4.669 -5.118 545 HB2 ALA 79 2HB ALA 79 2.631 6.292 -5.211 546 HB3 ALA 79 3HB ALA 79 3.050 5.088 -6.429 547 H LEU 80 H LEU 80 -0.200 3.838 -5.915 548 HA LEU 80 HA LEU 80 0.344 2.086 -8.013 549 HB2 LEU 80 1HB LEU 80 -1.778 2.178 -5.901 550 HB3 LEU 80 2HB LEU 80 -1.937 1.010 -7.198 551 HG LEU 80 HG LEU 80 -0.905 0.033 -5.186 552 HD11 LEU 80 1HD1 LEU 80 0.991 0.209 -7.528 553 HD12 LEU 80 2HD1 LEU 80 -0.373 -0.899 -7.380 554 HD13 LEU 80 3HD1 LEU 80 0.996 -1.034 -6.276 555 HD21 LEU 80 1HD2 LEU 80 0.245 2.003 -4.320 556 HD22 LEU 80 2HD2 LEU 80 1.349 1.980 -5.694 557 HD23 LEU 80 3HD2 LEU 80 1.370 0.661 -4.524 558 H VAL 81 H VAL 81 -2.363 4.316 -7.570 559 HA VAL 81 HA VAL 81 -3.599 3.620 -10.071 560 HB VAL 81 HB VAL 81 -4.050 6.018 -8.273 561 HG11 VAL 81 1HG1 VAL 81 -5.731 4.987 -10.568 562 HG12 VAL 81 2HG1 VAL 81 -4.787 6.477 -10.563 563 HG13 VAL 81 3HG1 VAL 81 -6.168 6.307 -9.481 564 HG21 VAL 81 1HG2 VAL 81 -5.557 3.406 -8.516 565 HG22 VAL 81 2HG2 VAL 81 -6.056 4.782 -7.532 566 HG23 VAL 81 3HG2 VAL 81 -4.565 3.920 -7.151 567 H GLY 82 H GLY 82 -1.069 5.781 -9.053 568 HA2 GLY 82 1HA GLY 82 -1.383 7.749 -11.107 569 HA3 GLY 82 2HA GLY 82 0.035 7.513 -10.095 570 H SER 83 H SER 83 0.854 5.026 -10.681 571 HA SER 83 HA SER 83 1.901 5.256 -13.342 572 HB2 SER 83 1HB SER 83 2.107 2.959 -11.375 573 HB3 SER 83 2HB SER 83 3.125 3.216 -12.794 574 HG SER 83 HG SER 83 3.869 3.948 -10.581 575 H GLY 84 H GLY 84 -0.781 3.663 -11.834 576 HA2 GLY 84 1HA GLY 84 -2.685 2.925 -12.968 577 HA3 GLY 84 2HA GLY 84 -1.764 2.892 -14.462 578 H LEU 85 H LEU 85 -0.521 1.322 -11.599 579 HA LEU 85 HA LEU 85 -0.286 -1.189 -12.866 580 HB2 LEU 85 1HB LEU 85 -0.195 -0.432 -9.941 581 HB3 LEU 85 2HB LEU 85 0.137 -2.053 -10.523 582 HG LEU 85 HG LEU 85 1.722 0.424 -11.239 583 HD11 LEU 85 1HD1 LEU 85 3.492 -0.539 -9.878 584 HD12 LEU 85 2HD1 LEU 85 2.455 -1.901 -9.457 585 HD13 LEU 85 3HD1 LEU 85 2.044 -0.277 -8.908 586 HD21 LEU 85 1HD2 LEU 85 3.290 -1.141 -12.291 587 HD22 LEU 85 2HD2 LEU 85 1.704 -1.200 -13.057 588 HD23 LEU 85 3HD2 LEU 85 2.192 -2.478 -11.943 589 H VAL 86 H VAL 86 -2.737 0.218 -10.819 590 HA VAL 86 HA VAL 86 -4.633 -1.798 -11.724 591 HB VAL 86 HB VAL 86 -5.616 -1.934 -9.373 592 HG11 VAL 86 1HG1 VAL 86 -2.914 -3.204 -9.827 593 HG12 VAL 86 2HG1 VAL 86 -4.459 -3.811 -10.423 594 HG13 VAL 86 3HG1 VAL 86 -4.145 -3.760 -8.692 595 HG21 VAL 86 1HG2 VAL 86 -2.875 -0.890 -8.640 596 HG22 VAL 86 2HG2 VAL 86 -4.029 -1.592 -7.505 597 HG23 VAL 86 3HG2 VAL 86 -4.420 -0.091 -8.345 598 H ASP 87 H ASP 87 -6.888 -1.132 -11.151 599 HA ASP 87 HA ASP 87 -7.261 1.582 -11.930 600 HB2 ASP 87 1HB ASP 87 -8.823 -0.225 -12.586 601 HB3 ASP 87 2HB ASP 87 -9.304 -0.410 -10.901 602 H ASP 88 H ASP 88 -7.643 -0.206 -8.922 603 HA ASP 88 HA ASP 88 -7.231 2.183 -7.361 604 HB2 ASP 88 1HB ASP 88 -9.778 2.004 -7.935 605 HB3 ASP 88 2HB ASP 88 -9.785 0.663 -6.799 606 H ILE 89 H ILE 89 -7.383 1.466 -4.892 607 HA ILE 89 HA ILE 89 -6.591 -1.362 -4.649 608 HB ILE 89 HB ILE 89 -4.739 -0.931 -3.231 609 HG12 ILE 89 1HG1 ILE 89 -5.328 2.041 -3.362 610 HG13 ILE 89 2HG1 ILE 89 -5.763 1.005 -2.008 611 HG21 ILE 89 1HG2 ILE 89 -3.200 0.333 -4.639 612 HG22 ILE 89 2HG2 ILE 89 -4.561 1.035 -5.518 613 HG23 ILE 89 3HG2 ILE 89 -4.246 -0.700 -5.615 614 HD11 ILE 89 1HD1 ILE 89 -3.739 2.240 -1.542 615 HD12 ILE 89 2HD1 ILE 89 -2.967 1.563 -2.975 616 HD13 ILE 89 3HD1 ILE 89 -3.403 0.511 -1.627 617 H ARG 90 H ARG 90 -7.163 -2.347 -2.725 618 HA ARG 90 HA ARG 90 -8.783 -0.704 -0.893 619 HB2 ARG 90 1HB ARG 90 -9.768 -2.704 -2.481 620 HB3 ARG 90 2HB ARG 90 -9.379 -3.606 -1.024 621 HG2 ARG 90 1HG ARG 90 -11.688 -2.875 -0.988 622 HG3 ARG 90 2HG ARG 90 -10.771 -2.077 0.292 623 HD2 ARG 90 1HD ARG 90 -10.594 -0.060 -1.040 624 HD3 ARG 90 2HD ARG 90 -11.394 -0.848 -2.399 625 HE ARG 90 HE ARG 90 -13.094 -0.984 -0.181 626 HH11 ARG 90 1HH1 ARG 90 -11.741 1.433 -2.333 627 HH12 ARG 90 2HH1 ARG 90 -13.098 2.503 -2.186 628 HH21 ARG 90 1HH2 ARG 90 -14.887 0.423 0.004 629 HH22 ARG 90 2HH2 ARG 90 -14.888 1.930 -0.863 630 H ILE 91 H ILE 91 -7.590 -0.417 0.867 631 HA ILE 91 HA ILE 91 -5.665 -2.422 1.711 632 HB ILE 91 HB ILE 91 -6.230 0.351 2.790 633 HG12 ILE 91 1HG1 ILE 91 -3.993 -0.702 1.029 634 HG13 ILE 91 2HG1 ILE 91 -5.292 0.374 0.524 635 HG21 ILE 91 1HG2 ILE 91 -4.005 -1.571 3.494 636 HG22 ILE 91 2HG2 ILE 91 -5.325 -1.063 4.548 637 HG23 ILE 91 3HG2 ILE 91 -4.113 0.108 4.029 638 HD11 ILE 91 1HD1 ILE 91 -3.112 1.017 2.499 639 HD12 ILE 91 2HD1 ILE 91 -4.433 2.094 2.047 640 HD13 ILE 91 3HD1 ILE 91 -3.243 1.605 0.841 641 H ASN 92 H ASN 92 -5.751 -3.571 3.583 642 HA ASN 92 HA ASN 92 -8.221 -3.351 5.198 643 HB2 ASN 92 1HB ASN 92 -7.989 -5.427 3.768 644 HB3 ASN 92 2HB ASN 92 -6.575 -5.849 4.714 645 HD21 ASN 92 1HD2 ASN 92 -8.819 -6.274 7.686 646 HD22 ASN 92 2HD2 ASN 92 -7.538 -5.191 7.306 647 H TRP 93 H TRP 93 -7.912 -2.876 7.279 648 HA TRP 93 HA TRP 93 -5.205 -2.775 8.347 649 HB2 TRP 93 2HB TRP 93 -7.799 -2.051 9.739 650 HB3 TRP 93 1HB TRP 93 -6.171 -1.572 10.208 651 HD1 TRP 93 1HD TRP 93 -4.887 -0.008 8.148 652 HE1 TRP 93 1HE TRP 93 -5.933 1.973 6.874 653 HE3 TRP 93 3HE TRP 93 -9.832 -1.041 8.945 654 HZ2 TRP 93 2HZ TRP 93 -8.492 2.960 6.286 655 HZ3 TRP 93 3HZ TRP 93 -11.518 0.480 7.989 656 HH2 TRP 93 2HH TRP 93 -10.860 2.439 6.687 657 H VAL 94 H VAL 94 -4.437 -4.718 8.984 658 HA VAL 94 HA VAL 94 -6.128 -6.301 10.813 659 HB VAL 94 HB VAL 94 -4.715 -8.282 10.181 660 HG11 VAL 94 1HG1 VAL 94 -5.940 -8.726 8.113 661 HG12 VAL 94 2HG1 VAL 94 -6.344 -7.016 7.972 662 HG13 VAL 94 3HG1 VAL 94 -6.980 -7.965 9.317 663 HG21 VAL 94 1HG2 VAL 94 -3.514 -8.189 8.031 664 HG22 VAL 94 2HG2 VAL 94 -2.805 -7.109 9.233 665 HG23 VAL 94 3HG2 VAL 94 -3.817 -6.452 7.946 666 H TRP 95 H TRP 95 -4.916 -7.531 12.433 667 HA TRP 95 HA TRP 95 -2.351 -6.871 13.313 668 HB2 TRP 95 2HB TRP 95 -2.895 -5.298 15.178 669 HB3 TRP 95 1HB TRP 95 -3.128 -4.585 13.587 670 HD1 TRP 95 1HD TRP 95 -5.817 -4.536 12.735 671 HE1 TRP 95 1HE TRP 95 -7.919 -4.033 14.128 672 HE3 TRP 95 3HE TRP 95 -3.919 -5.418 17.403 673 HZ2 TRP 95 2HZ TRP 95 -8.668 -4.002 16.854 674 HZ3 TRP 95 3HZ TRP 95 -5.393 -5.121 19.351 675 HH2 TRP 95 2HH TRP 95 -7.719 -4.428 19.082 676 H ASN 96 H ASN 96 -5.632 -7.759 14.062 677 HA ASN 96 HA ASN 96 -4.735 -9.968 15.675 678 HB2 ASN 96 1HB ASN 96 -4.818 -8.205 17.375 679 HB3 ASN 96 2HB ASN 96 -6.473 -7.817 16.924 680 HD21 ASN 96 1HD2 ASN 96 -7.361 -9.804 19.648 681 HD22 ASN 96 2HD2 ASN 96 -7.219 -8.211 18.998 682 HA PRO 97 HA PRO 97 -9.311 -10.477 14.288 683 HB2 PRO 97 2HB PRO 97 -10.107 -8.027 12.899 684 HB3 PRO 97 1HB PRO 97 -10.901 -8.841 14.250 685 HG2 PRO 97 2HG PRO 97 -9.671 -6.431 14.503 686 HG3 PRO 97 1HG PRO 97 -9.775 -7.605 15.830 687 HD2 PRO 97 2HD PRO 97 -7.483 -7.050 13.966 688 HD3 PRO 97 1HD PRO 97 -7.468 -7.301 15.726 689 HA PRO 98 HA PRO 98 -7.777 -11.411 10.203 690 HB2 PRO 98 2HB PRO 98 -10.444 -12.481 9.559 691 HB3 PRO 98 1HB PRO 98 -8.902 -13.329 9.704 692 HG2 PRO 98 2HG PRO 98 -10.862 -13.627 11.525 693 HG3 PRO 98 1HG PRO 98 -9.146 -13.666 11.976 694 HD2 PRO 98 2HD PRO 98 -11.120 -11.413 12.231 695 HD3 PRO 98 1HD PRO 98 -9.906 -11.983 13.399 696 H TRP 99 H TRP 99 -9.261 -11.557 7.880 697 HA TRP 99 HA TRP 99 -9.477 -8.712 7.294 698 HB2 TRP 99 2HB TRP 99 -9.480 -11.084 5.405 699 HB3 TRP 99 1HB TRP 99 -9.269 -9.389 4.962 700 HD1 TRP 99 1HD TRP 99 -6.907 -8.251 5.576 701 HE1 TRP 99 1HE TRP 99 -4.597 -9.255 6.077 702 HE3 TRP 99 3HE TRP 99 -8.301 -13.094 6.450 703 HZ2 TRP 99 2HZ TRP 99 -3.501 -11.769 6.741 704 HZ3 TRP 99 3HZ TRP 99 -6.557 -14.736 7.017 705 HH2 TRP 99 2HH TRP 99 -4.207 -14.085 7.159 706 H GLY 100 H GLY 100 -11.372 -7.699 7.061 707 HA2 GLY 100 1HA GLY 100 -13.671 -8.998 5.891 708 HA3 GLY 100 2HA GLY 100 -13.847 -8.680 7.611 709 HA PRO 101 HA PRO 101 -15.584 -4.825 6.188 710 HB2 PRO 101 2HB PRO 101 -15.812 -3.594 8.615 711 HB3 PRO 101 1HB PRO 101 -16.912 -4.868 8.077 712 HG2 PRO 101 2HG PRO 101 -14.526 -5.072 9.885 713 HG3 PRO 101 1HG PRO 101 -16.138 -5.792 10.073 714 HD2 PRO 101 2HD PRO 101 -14.041 -7.219 9.152 715 HD3 PRO 101 1HD PRO 101 -15.694 -7.494 8.562 716 H ASP 102 H ASP 102 -12.653 -5.204 7.920 717 HA ASP 102 HA ASP 102 -11.754 -2.531 8.006 718 HB2 ASP 102 1HB ASP 102 -10.086 -5.057 7.922 719 HB3 ASP 102 2HB ASP 102 -9.564 -3.477 8.500 720 H LYS 103 H LYS 103 -12.324 -4.461 5.351 721 HA LYS 103 HA LYS 103 -10.198 -3.559 3.637 722 HB2 LYS 103 1HB LYS 103 -12.825 -4.964 3.194 723 HB3 LYS 103 2HB LYS 103 -11.936 -4.321 1.824 724 HG2 LYS 103 1HG LYS 103 -10.733 -6.261 3.790 725 HG3 LYS 103 2HG LYS 103 -11.592 -6.766 2.334 726 HD2 LYS 103 1HD LYS 103 -9.975 -5.315 1.023 727 HD3 LYS 103 2HD LYS 103 -9.045 -5.151 2.514 728 HE2 LYS 103 1HE LYS 103 -9.726 -7.777 1.178 729 HE3 LYS 103 2HE LYS 103 -8.190 -6.930 1.011 730 HZ1 LYS 103 1HZ LYS 103 -9.233 -7.729 3.660 731 HZ2 LYS 103 2HZ LYS 103 -7.641 -7.337 3.221 732 HZ3 LYS 103 3HZ LYS 103 -8.325 -8.789 2.704 733 H ILE 104 H ILE 104 -13.114 -2.204 4.818 734 HA ILE 104 HA ILE 104 -13.602 -0.403 2.631 735 HB ILE 104 HB ILE 104 -14.616 -0.282 5.487 736 HG12 ILE 104 1HG1 ILE 104 -15.937 -1.398 2.989 737 HG13 ILE 104 2HG1 ILE 104 -15.265 -2.360 4.301 738 HG21 ILE 104 1HG2 ILE 104 -16.371 1.185 4.589 739 HG22 ILE 104 2HG2 ILE 104 -15.598 1.144 3.005 740 HG23 ILE 104 3HG2 ILE 104 -14.768 1.886 4.373 741 HD11 ILE 104 1HD1 ILE 104 -17.612 -0.481 4.483 742 HD12 ILE 104 2HD1 ILE 104 -16.918 -1.378 5.835 743 HD13 ILE 104 3HD1 ILE 104 -17.663 -2.244 4.491 744 H THR 105 H THR 105 -11.949 0.913 2.182 745 HA THR 105 HA THR 105 -10.010 1.854 3.946 746 HB THR 105 HB THR 105 -9.451 3.474 2.107 747 HG1 THR 105 1HG THR 105 -10.716 3.521 0.285 748 HG21 THR 105 1HG2 THR 105 -8.505 1.214 2.108 749 HG22 THR 105 2HG2 THR 105 -8.839 1.748 0.460 750 HG23 THR 105 3HG2 THR 105 -9.925 0.607 1.255 751 H GLU 106 H GLU 106 -9.570 3.981 4.744 752 HA GLU 106 HA GLU 106 -11.860 5.377 5.739 753 HB2 GLU 106 1HB GLU 106 -9.762 5.263 7.022 754 HB3 GLU 106 2HB GLU 106 -8.926 6.156 5.757 755 HG2 GLU 106 1HG GLU 106 -10.062 8.145 6.254 756 HG3 GLU 106 2HG GLU 106 -11.298 7.312 7.191 757 H ASP 107 H ASP 107 -9.712 5.672 3.022 758 HA ASP 107 HA ASP 107 -10.403 8.180 2.016 759 HB2 ASP 107 1HB ASP 107 -8.666 6.869 0.955 760 HB3 ASP 107 2HB ASP 107 -9.802 5.579 0.578 761 H GLY 108 H GLY 108 -12.103 5.095 1.857 762 HA2 GLY 108 1HA GLY 108 -14.142 5.966 0.054 763 HA3 GLY 108 2HA GLY 108 -14.162 4.499 1.018 764 H ARG 109 H ARG 109 -13.921 5.729 3.572 765 HA ARG 109 HA ARG 109 -16.641 6.063 4.164 766 HB2 ARG 109 1HB ARG 109 -14.955 5.295 5.806 767 HB3 ARG 109 2HB ARG 109 -14.262 6.912 5.836 768 HG2 ARG 109 1HG ARG 109 -16.502 7.751 6.632 769 HG3 ARG 109 2HG ARG 109 -16.991 6.064 6.798 770 HD2 ARG 109 1HD ARG 109 -16.248 6.900 8.939 771 HD3 ARG 109 2HD ARG 109 -15.096 5.701 8.349 772 HE ARG 109 HE ARG 109 -14.572 8.563 7.919 773 HH11 ARG 109 1HH1 ARG 109 -13.688 5.520 9.422 774 HH12 ARG 109 2HH1 ARG 109 -12.126 6.082 9.926 775 HH21 ARG 109 1HH2 ARG 109 -12.526 9.302 8.590 776 HH22 ARG 109 2HH2 ARG 109 -11.466 8.226 9.451 777 H GLU 110 H GLU 110 -14.140 8.400 3.437 778 HA GLU 110 HA GLU 110 -15.581 10.672 4.424 779 HB2 GLU 110 1HB GLU 110 -13.062 10.466 4.229 780 HB3 GLU 110 2HB GLU 110 -13.256 10.680 2.495 781 HG2 GLU 110 1HG GLU 110 -12.640 12.770 3.565 782 HG3 GLU 110 2HG GLU 110 -14.258 12.879 2.870 783 H GLN 111 H GLN 111 -15.887 8.805 1.644 784 HA GLN 111 HA GLN 111 -16.886 11.090 0.074 785 HB2 GLN 111 1HB GLN 111 -15.950 8.446 -1.041 786 HB3 GLN 111 2HB GLN 111 -16.236 9.951 -1.914 787 HG2 GLN 111 1HG GLN 111 -14.373 10.983 -0.628 788 HG3 GLN 111 2HG GLN 111 -14.054 9.409 0.092 789 HE21 GLN 111 1HE2 GLN 111 -11.699 8.969 -2.414 790 HE22 GLN 111 2HE2 GLN 111 -12.021 9.217 -0.734 791 H LEU 112 H LEU 112 -18.868 10.841 1.267 792 HA LEU 112 HA LEU 112 -20.559 8.630 0.290 793 HB2 LEU 112 1HB LEU 112 -20.983 10.426 2.692 794 HB3 LEU 112 2HB LEU 112 -22.021 9.097 2.207 795 HG LEU 112 HG LEU 112 -19.163 8.845 3.171 796 HD11 LEU 112 1HD1 LEU 112 -20.714 9.430 4.961 797 HD12 LEU 112 2HD1 LEU 112 -20.141 7.772 5.133 798 HD13 LEU 112 3HD1 LEU 112 -21.761 8.084 4.508 799 HD21 LEU 112 1HD2 LEU 112 -19.738 7.137 1.499 800 HD22 LEU 112 2HD2 LEU 112 -21.146 6.680 2.458 801 HD23 LEU 112 3HD2 LEU 112 -19.522 6.442 3.105 802 H ARG 113 H ARG 113 -23.043 9.673 0.632 803 HA ARG 113 HA ARG 113 -23.376 11.152 -1.731 804 HB2 ARG 113 1HB ARG 113 -25.099 9.664 -0.776 805 HB3 ARG 113 2HB ARG 113 -25.322 10.783 0.563 806 HG2 ARG 113 1HG ARG 113 -26.167 12.482 -0.942 807 HG3 ARG 113 2HG ARG 113 -25.837 11.451 -2.337 808 HD2 ARG 113 1HD ARG 113 -28.205 11.384 -1.754 809 HD3 ARG 113 2HD ARG 113 -27.455 9.806 -1.508 810 HE ARG 113 HE ARG 113 -27.447 11.338 0.894 811 HH11 ARG 113 1HH1 ARG 113 -29.548 9.411 -1.150 812 HH12 ARG 113 2HH1 ARG 113 -30.624 8.988 0.146 813 HH21 ARG 113 1HH2 ARG 113 -28.864 10.781 2.589 814 HH22 ARG 113 2HH2 ARG 113 -30.239 9.770 2.260 815 H ALA 114 H ALA 114 -23.171 12.153 1.630 816 HA ALA 114 HA ALA 114 -24.131 14.787 1.340 817 HB1 ALA 114 1HB ALA 114 -22.188 13.713 3.390 818 HB2 ALA 114 2HB ALA 114 -23.946 13.655 3.508 819 HB3 ALA 114 3HB ALA 114 -23.114 15.208 3.516 820 H LEU 115 H LEU 115 -21.193 13.363 0.333 821 HA LEU 115 HA LEU 115 -19.532 15.693 0.497 822 HB2 LEU 115 1HB LEU 115 -18.616 13.396 0.446 823 HB3 LEU 115 2HB LEU 115 -19.212 13.199 -1.192 824 HG LEU 115 HG LEU 115 -17.686 15.014 -1.940 825 HD11 LEU 115 1HD1 LEU 115 -16.623 14.904 0.885 826 HD12 LEU 115 2HD1 LEU 115 -17.516 16.245 0.168 827 HD13 LEU 115 3HD1 LEU 115 -15.925 15.813 -0.456 828 HD21 LEU 115 1HD2 LEU 115 -16.312 12.757 -0.480 829 HD22 LEU 115 2HD2 LEU 115 -15.630 13.720 -1.793 830 HD23 LEU 115 3HD2 LEU 115 -17.011 12.666 -2.097 831 H GLY 116 H GLY 116 -22.069 14.782 -1.544 832 HA2 GLY 116 1HA GLY 116 -21.176 16.043 -3.962 833 HA3 GLY 116 2HA GLY 116 -22.814 15.523 -3.596 834 H PHE 117 H PHE 117 -22.051 17.333 -1.030 835 HA PHE 117 HA PHE 117 -23.216 19.764 -2.220 836 HB2 PHE 117 2HB PHE 117 -23.266 18.741 0.634 837 HB3 PHE 117 1HB PHE 117 -23.948 20.279 0.112 838 HD1 PHE 117 1HD PHE 117 -24.408 16.669 0.227 839 HD2 PHE 117 2HD PHE 117 -25.927 20.322 -1.365 840 HE1 PHE 117 1HE PHE 117 -26.522 15.543 -0.344 841 HE2 PHE 117 2HE PHE 117 -28.039 19.198 -1.932 842 HZ PHE 117 HZ PHE 117 -28.338 16.807 -1.424 843 H THR 118 H THR 118 -20.459 19.307 -2.487 844 HA THR 118 HA THR 118 -18.997 20.768 -0.499 845 HB THR 118 HB THR 118 -17.209 20.764 -2.390 846 HG1 THR 118 1HG THR 118 -18.111 18.635 -3.652 847 HG21 THR 118 1HG2 THR 118 -18.248 18.150 -1.271 848 HG22 THR 118 2HG2 THR 118 -17.137 19.255 -0.459 849 HG23 THR 118 3HG2 THR 118 -16.634 18.420 -1.929 850 H VAL 119 H VAL 119 -18.356 22.882 -0.516 851 HA VAL 119 HA VAL 119 -19.634 24.620 -2.526 852 HB VAL 119 HB VAL 119 -18.797 25.317 0.304 853 HG11 VAL 119 1HG1 VAL 119 -18.655 27.238 -1.215 854 HG12 VAL 119 2HG1 VAL 119 -19.977 27.429 -0.065 855 HG13 VAL 119 3HG1 VAL 119 -20.319 26.960 -1.731 856 HG21 VAL 119 1HG2 VAL 119 -21.552 24.876 -0.862 857 HG22 VAL 119 2HG2 VAL 119 -21.202 25.426 0.778 858 HG23 VAL 119 3HG2 VAL 119 -20.716 23.809 0.268 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 14.972 -3.213 2.838 2 H2 GLY 1 2H GLY 1 14.674 -4.410 1.680 3 H3 GLY 1 3H GLY 1 15.828 -4.667 2.879 4 HA2 GLY 1 1HA GLY 1 14.093 -4.587 4.582 5 HA3 GLY 1 2HA GLY 1 12.907 -4.412 3.295 6 HA PRO 2 HA PRO 2 13.998 -8.956 4.442 7 HB2 PRO 2 2HB PRO 2 11.429 -9.628 5.241 8 HB3 PRO 2 1HB PRO 2 12.739 -9.174 6.335 9 HG2 PRO 2 2HG PRO 2 10.501 -7.502 5.259 10 HG3 PRO 2 1HG PRO 2 11.196 -7.530 6.891 11 HD2 PRO 2 2HD PRO 2 11.803 -5.587 5.140 12 HD3 PRO 2 1HD PRO 2 13.016 -6.223 6.272 13 H GLY 3 H GLY 3 10.605 -8.344 3.503 14 HA2 GLY 3 1HA GLY 3 10.748 -10.215 1.336 15 HA3 GLY 3 2HA GLY 3 9.392 -9.168 1.731 16 H SER 4 H SER 4 12.604 -9.179 0.231 17 HA SER 4 HA SER 4 12.419 -6.604 -0.925 18 HB2 SER 4 1HB SER 4 14.078 -8.999 -1.776 19 HB3 SER 4 2HB SER 4 14.325 -7.342 -2.331 20 HG SER 4 HG SER 4 14.324 -7.985 0.426 21 H MET 5 H MET 5 11.557 -9.829 -2.078 22 HA MET 5 HA MET 5 10.194 -8.583 -4.378 23 HB2 MET 5 1HB MET 5 10.112 -10.894 -5.336 24 HB3 MET 5 2HB MET 5 11.737 -10.266 -5.129 25 HG2 MET 5 1HG MET 5 11.982 -11.593 -3.077 26 HG3 MET 5 2HG MET 5 10.362 -12.245 -3.318 27 HE1 MET 5 1HE MET 5 13.035 -11.474 -6.112 28 HE2 MET 5 2HE MET 5 13.875 -13.021 -6.219 29 HE3 MET 5 3HE MET 5 14.019 -12.039 -4.761 30 H SER 6 H SER 6 8.231 -8.012 -3.686 31 HA SER 6 HA SER 6 6.481 -10.067 -2.564 32 HB2 SER 6 1HB SER 6 7.425 -8.936 -0.603 33 HB3 SER 6 2HB SER 6 6.962 -7.367 -1.259 34 HG SER 6 HG SER 6 4.942 -7.696 -0.684 35 H GLU 7 H GLU 7 6.439 -6.548 -3.130 36 HA GLU 7 HA GLU 7 3.772 -6.371 -3.876 37 HB2 GLU 7 1HB GLU 7 5.914 -4.535 -4.957 38 HB3 GLU 7 2HB GLU 7 4.243 -4.148 -4.573 39 HG2 GLU 7 1HG GLU 7 6.518 -4.650 -2.671 40 HG3 GLU 7 2HG GLU 7 5.564 -3.182 -2.871 41 H THR 8 H THR 8 2.944 -7.637 -5.436 42 HA THR 8 HA THR 8 4.368 -7.889 -8.001 43 HB THR 8 HB THR 8 2.059 -9.562 -6.970 44 HG1 THR 8 1HG THR 8 4.260 -9.616 -5.851 45 HG21 THR 8 1HG2 THR 8 3.989 -9.998 -9.261 46 HG22 THR 8 2HG2 THR 8 2.274 -9.610 -9.404 47 HG23 THR 8 3HG2 THR 8 2.775 -11.154 -8.714 48 H SER 9 H SER 9 3.729 -6.251 -9.308 49 HA SER 9 HA SER 9 0.987 -6.132 -10.178 50 HB2 SER 9 1HB SER 9 0.948 -4.661 -8.167 51 HB3 SER 9 2HB SER 9 2.230 -3.682 -8.882 52 HG SER 9 HG SER 9 0.601 -2.617 -9.676 53 H ALA 10 H ALA 10 0.783 -5.093 -12.194 54 HA ALA 10 HA ALA 10 1.392 -4.216 -14.203 55 HB1 ALA 10 1HB ALA 10 2.304 -2.347 -12.901 56 HB2 ALA 10 2HB ALA 10 3.282 -2.673 -14.330 57 HB3 ALA 10 3HB ALA 10 3.836 -3.202 -12.743 58 HA PRO 11 HA PRO 11 4.168 -7.139 -16.179 59 HB2 PRO 11 2HB PRO 11 5.235 -5.607 -18.206 60 HB3 PRO 11 1HB PRO 11 3.641 -6.365 -18.265 61 HG2 PRO 11 2HG PRO 11 4.373 -3.542 -17.601 62 HG3 PRO 11 1HG PRO 11 3.022 -4.150 -18.575 63 HD2 PRO 11 2HD PRO 11 2.692 -3.326 -16.028 64 HD3 PRO 11 1HD PRO 11 1.747 -4.666 -16.710 65 H ALA 12 H ALA 12 6.587 -7.046 -17.163 66 HA ALA 12 HA ALA 12 8.164 -7.108 -14.902 67 HB1 ALA 12 1HB ALA 12 8.639 -8.319 -16.990 68 HB2 ALA 12 2HB ALA 12 10.053 -7.460 -16.377 69 HB3 ALA 12 3HB ALA 12 9.143 -6.803 -17.740 70 H GLU 13 H GLU 13 8.660 -4.736 -17.530 71 HA GLU 13 HA GLU 13 10.539 -3.252 -16.039 72 HB2 GLU 13 1HB GLU 13 10.450 -1.594 -17.826 73 HB3 GLU 13 2HB GLU 13 10.616 -3.226 -18.449 74 HG2 GLU 13 1HG GLU 13 8.034 -1.680 -18.343 75 HG3 GLU 13 2HG GLU 13 9.082 -1.821 -19.744 76 H GLU 14 H GLU 14 7.105 -2.761 -16.662 77 HA GLU 14 HA GLU 14 6.861 -0.213 -15.507 78 HB2 GLU 14 1HB GLU 14 4.840 -2.454 -15.728 79 HB3 GLU 14 2HB GLU 14 4.443 -0.806 -15.257 80 HG2 GLU 14 1HG GLU 14 5.656 -1.622 -17.895 81 HG3 GLU 14 2HG GLU 14 3.951 -1.267 -17.619 82 H LEU 15 H LEU 15 6.683 -3.449 -14.081 83 HA LEU 15 HA LEU 15 5.898 -2.736 -11.492 84 HB2 LEU 15 1HB LEU 15 5.901 -5.047 -12.133 85 HB3 LEU 15 2HB LEU 15 7.618 -5.010 -12.488 86 HG LEU 15 HG LEU 15 8.127 -4.761 -10.097 87 HD11 LEU 15 1HD1 LEU 15 6.144 -3.536 -9.387 88 HD12 LEU 15 2HD1 LEU 15 6.376 -4.980 -8.403 89 HD13 LEU 15 3HD1 LEU 15 5.146 -4.964 -9.667 90 HD21 LEU 15 1HD2 LEU 15 6.275 -7.070 -10.693 91 HD22 LEU 15 2HD2 LEU 15 7.433 -6.997 -9.364 92 HD23 LEU 15 3HD2 LEU 15 8.006 -7.002 -11.031 93 H LEU 16 H LEU 16 9.113 -2.904 -12.964 94 HA LEU 16 HA LEU 16 10.643 -2.431 -10.671 95 HB2 LEU 16 1HB LEU 16 11.615 -3.153 -12.801 96 HB3 LEU 16 2HB LEU 16 11.197 -1.616 -13.533 97 HG LEU 16 HG LEU 16 12.763 -0.470 -11.990 98 HD11 LEU 16 1HD1 LEU 16 12.703 -2.016 -10.124 99 HD12 LEU 16 2HD1 LEU 16 14.361 -1.806 -10.686 100 HD13 LEU 16 3HD1 LEU 16 13.467 -3.269 -11.102 101 HD21 LEU 16 1HD2 LEU 16 14.817 -1.226 -13.059 102 HD22 LEU 16 2HD2 LEU 16 13.496 -1.163 -14.226 103 HD23 LEU 16 3HD2 LEU 16 14.021 -2.716 -13.572 104 H ALA 17 H ALA 17 9.390 -0.135 -13.074 105 HA ALA 17 HA ALA 17 10.385 2.203 -11.878 106 HB1 ALA 17 1HB ALA 17 8.758 3.388 -13.282 107 HB2 ALA 17 2HB ALA 17 7.947 1.861 -13.633 108 HB3 ALA 17 3HB ALA 17 9.599 2.132 -14.190 109 H ASP 18 H ASP 18 7.164 0.697 -11.658 110 HA ASP 18 HA ASP 18 6.017 2.657 -10.009 111 HB2 ASP 18 1HB ASP 18 4.660 1.049 -11.268 112 HB3 ASP 18 2HB ASP 18 5.271 -0.270 -10.275 113 H VAL 19 H VAL 19 7.503 -0.473 -9.173 114 HA VAL 19 HA VAL 19 7.026 -0.209 -6.398 115 HB VAL 19 HB VAL 19 7.612 -2.374 -7.669 116 HG11 VAL 19 1HG1 VAL 19 10.429 -1.452 -7.093 117 HG12 VAL 19 2HG1 VAL 19 9.703 -1.588 -8.695 118 HG13 VAL 19 3HG1 VAL 19 9.954 -3.033 -7.715 119 HG21 VAL 19 1HG2 VAL 19 8.548 -3.406 -5.659 120 HG22 VAL 19 2HG2 VAL 19 7.277 -2.258 -5.244 121 HG23 VAL 19 3HG2 VAL 19 8.970 -1.814 -5.027 122 H GLU 20 H GLU 20 9.659 0.830 -8.502 123 HA GLU 20 HA GLU 20 11.490 1.549 -6.481 124 HB2 GLU 20 1HB GLU 20 12.094 1.420 -8.878 125 HB3 GLU 20 2HB GLU 20 11.100 2.836 -9.195 126 HG2 GLU 20 1HG GLU 20 12.553 4.156 -7.691 127 HG3 GLU 20 2HG GLU 20 13.573 2.735 -7.471 128 H GLU 21 H GLU 21 8.931 3.400 -8.118 129 HA GLU 21 HA GLU 21 9.281 5.809 -6.684 130 HB2 GLU 21 1HB GLU 21 6.754 4.656 -7.901 131 HB3 GLU 21 2HB GLU 21 6.963 6.326 -7.391 132 HG2 GLU 21 1HG GLU 21 8.557 4.967 -9.562 133 HG3 GLU 21 2HG GLU 21 7.163 6.011 -9.830 134 H ALA 22 H ALA 22 7.060 3.088 -6.189 135 HA ALA 22 HA ALA 22 5.721 4.022 -3.954 136 HB1 ALA 22 1HB ALA 22 6.396 1.148 -4.606 137 HB2 ALA 22 2HB ALA 22 5.018 2.050 -5.237 138 HB3 ALA 22 3HB ALA 22 5.123 1.695 -3.513 139 H MET 23 H MET 23 8.689 2.097 -4.127 140 HA MET 23 HA MET 23 8.975 1.685 -1.362 141 HB2 MET 23 1HB MET 23 11.002 1.686 -3.587 142 HB3 MET 23 2HB MET 23 11.398 1.290 -1.920 143 HG2 MET 23 1HG MET 23 9.386 -0.173 -3.614 144 HG3 MET 23 2HG MET 23 11.046 -0.696 -3.327 145 HE1 MET 23 1HE MET 23 8.504 -2.553 -2.789 146 HE2 MET 23 2HE MET 23 8.960 -3.272 -1.245 147 HE3 MET 23 3HE MET 23 10.171 -3.058 -2.508 148 H ARG 24 H ARG 24 9.366 4.572 -3.127 149 HA ARG 24 HA ARG 24 11.308 5.636 -1.185 150 HB2 ARG 24 1HB ARG 24 11.610 5.952 -3.696 151 HB3 ARG 24 2HB ARG 24 10.226 7.035 -3.643 152 HG2 ARG 24 1HG ARG 24 12.288 8.304 -3.581 153 HG3 ARG 24 2HG ARG 24 11.429 8.477 -2.049 154 HD2 ARG 24 1HD ARG 24 13.762 8.157 -1.572 155 HD3 ARG 24 2HD ARG 24 12.898 6.697 -1.093 156 HE ARG 24 HE ARG 24 14.650 6.997 -3.441 157 HH11 ARG 24 1HH1 ARG 24 12.874 4.913 -1.240 158 HH12 ARG 24 2HH1 ARG 24 13.596 3.460 -1.845 159 HH21 ARG 24 1HH2 ARG 24 15.598 5.078 -4.210 160 HH22 ARG 24 2HH2 ARG 24 15.139 3.550 -3.528 161 H ASP 25 H ASP 25 7.966 5.482 -1.656 162 HA ASP 25 HA ASP 25 7.564 8.022 -0.182 163 HB2 ASP 25 1HB ASP 25 6.753 8.163 -2.514 164 HB3 ASP 25 2HB ASP 25 5.715 6.770 -2.232 165 H VAL 26 H VAL 26 6.916 4.673 -0.462 166 HA VAL 26 HA VAL 26 4.731 4.659 1.447 167 HB VAL 26 HB VAL 26 6.088 2.517 -0.211 168 HG11 VAL 26 1HG1 VAL 26 4.361 0.973 0.567 169 HG12 VAL 26 2HG1 VAL 26 3.802 2.188 1.716 170 HG13 VAL 26 3HG1 VAL 26 5.422 1.507 1.866 171 HG21 VAL 26 1HG2 VAL 26 3.304 3.692 -0.340 172 HG22 VAL 26 2HG2 VAL 26 3.934 2.416 -1.382 173 HG23 VAL 26 3HG2 VAL 26 4.629 4.034 -1.455 174 H VAL 27 H VAL 27 8.096 4.433 1.344 175 HA VAL 27 HA VAL 27 8.368 2.930 3.834 176 HB VAL 27 HB VAL 27 9.929 2.649 1.816 177 HG11 VAL 27 1HG1 VAL 27 11.771 4.241 1.595 178 HG12 VAL 27 2HG1 VAL 27 11.040 5.270 2.828 179 HG13 VAL 27 3HG1 VAL 27 10.215 5.016 1.288 180 HG21 VAL 27 1HG2 VAL 27 10.475 1.747 4.018 181 HG22 VAL 27 2HG2 VAL 27 11.187 3.291 4.488 182 HG23 VAL 27 3HG2 VAL 27 11.923 2.335 3.202 183 H ASP 28 H ASP 28 9.616 3.902 5.626 184 HA ASP 28 HA ASP 28 9.527 6.843 5.687 185 HB2 ASP 28 1HB ASP 28 8.458 5.748 7.619 186 HB3 ASP 28 2HB ASP 28 9.948 4.864 7.950 187 HA PRO 29 HA PRO 29 13.905 5.923 4.865 188 HB2 PRO 29 2HB PRO 29 14.380 7.940 3.142 189 HB3 PRO 29 1HB PRO 29 13.493 6.492 2.657 190 HG2 PRO 29 2HG PRO 29 12.463 9.212 3.299 191 HG3 PRO 29 1HG PRO 29 11.885 8.041 2.095 192 HD2 PRO 29 2HD PRO 29 10.774 8.486 4.637 193 HD3 PRO 29 1HD PRO 29 10.459 7.091 3.588 194 H GLU 30 H GLU 30 12.333 8.407 6.474 195 HA GLU 30 HA GLU 30 14.491 10.173 7.015 196 HB2 GLU 30 1HB GLU 30 11.982 9.647 8.630 197 HB3 GLU 30 2HB GLU 30 13.068 11.014 8.845 198 HG2 GLU 30 1HG GLU 30 11.370 10.423 6.426 199 HG3 GLU 30 2HG GLU 30 11.121 11.707 7.608 200 H LEU 31 H LEU 31 12.932 7.682 9.051 201 HA LEU 31 HA LEU 31 15.370 7.556 10.687 202 HB2 LEU 31 1HB LEU 31 12.631 6.383 11.196 203 HB3 LEU 31 2HB LEU 31 13.985 6.343 12.311 204 HG LEU 31 HG LEU 31 12.538 8.835 11.383 205 HD11 LEU 31 1HD1 LEU 31 11.717 8.965 13.680 206 HD12 LEU 31 2HD1 LEU 31 12.504 7.430 14.054 207 HD13 LEU 31 3HD1 LEU 31 11.181 7.481 12.889 208 HD21 LEU 31 1HD2 LEU 31 14.763 8.511 13.404 209 HD22 LEU 31 2HD2 LEU 31 13.880 10.001 13.070 210 HD23 LEU 31 3HD2 LEU 31 14.896 9.283 11.823 211 H GLY 32 H GLY 32 13.605 5.834 8.303 212 HA2 GLY 32 1HA GLY 32 14.665 4.192 6.972 213 HA3 GLY 32 2HA GLY 32 15.723 3.802 8.316 214 H ILE 33 H ILE 33 12.170 4.000 8.229 215 HA ILE 33 HA ILE 33 12.094 1.139 8.990 216 HB ILE 33 HB ILE 33 9.951 3.231 9.426 217 HG12 ILE 33 1HG1 ILE 33 10.398 2.701 11.888 218 HG13 ILE 33 2HG1 ILE 33 11.866 1.891 11.352 219 HG21 ILE 33 1HG2 ILE 33 8.976 1.052 8.985 220 HG22 ILE 33 2HG2 ILE 33 8.749 1.498 10.675 221 HG23 ILE 33 3HG2 ILE 33 9.991 0.326 10.233 222 HD11 ILE 33 1HD1 ILE 33 12.699 3.982 10.447 223 HD12 ILE 33 2HD1 ILE 33 12.300 4.143 12.157 224 HD13 ILE 33 3HD1 ILE 33 11.211 4.796 10.931 225 H ASN 34 H ASN 34 10.867 -0.252 7.830 226 HA ASN 34 HA ASN 34 9.505 0.807 5.439 227 HB2 ASN 34 1HB ASN 34 10.169 -1.235 4.216 228 HB3 ASN 34 2HB ASN 34 11.564 -0.300 4.737 229 HD21 ASN 34 1HD2 ASN 34 12.829 -2.775 6.868 230 HD22 ASN 34 2HD2 ASN 34 12.858 -1.104 6.429 231 H VAL 35 H VAL 35 7.421 0.363 5.366 232 HA VAL 35 HA VAL 35 6.127 -0.811 7.549 233 HB VAL 35 HB VAL 35 4.043 -0.545 6.270 234 HG11 VAL 35 1HG1 VAL 35 4.177 1.882 5.940 235 HG12 VAL 35 2HG1 VAL 35 5.939 1.799 5.962 236 HG13 VAL 35 3HG1 VAL 35 5.018 1.392 7.411 237 HG21 VAL 35 1HG2 VAL 35 4.793 -1.252 4.063 238 HG22 VAL 35 2HG2 VAL 35 5.861 0.146 3.950 239 HG23 VAL 35 3HG2 VAL 35 4.114 0.373 3.972 240 H VAL 36 H VAL 36 7.220 -2.220 4.555 241 HA VAL 36 HA VAL 36 5.582 -4.505 4.498 242 HB VAL 36 HB VAL 36 6.985 -3.763 2.588 243 HG11 VAL 36 1HG1 VAL 36 9.283 -4.886 4.194 244 HG12 VAL 36 2HG1 VAL 36 9.029 -3.193 3.772 245 HG13 VAL 36 3HG1 VAL 36 9.365 -4.377 2.509 246 HG21 VAL 36 1HG2 VAL 36 7.490 -6.617 3.451 247 HG22 VAL 36 2HG2 VAL 36 7.602 -5.996 1.805 248 HG23 VAL 36 3HG2 VAL 36 6.045 -6.023 2.630 249 H ASP 37 H ASP 37 8.304 -3.668 6.461 250 HA ASP 37 HA ASP 37 9.125 -6.251 7.265 251 HB2 ASP 37 1HB ASP 37 10.524 -4.260 7.587 252 HB3 ASP 37 2HB ASP 37 9.356 -3.608 8.731 253 H LEU 38 H LEU 38 6.316 -4.426 8.042 254 HA LEU 38 HA LEU 38 5.700 -5.550 10.567 255 HB2 LEU 38 1HB LEU 38 4.055 -4.333 8.372 256 HB3 LEU 38 2HB LEU 38 3.246 -5.150 9.694 257 HG LEU 38 HG LEU 38 3.346 -2.721 10.043 258 HD11 LEU 38 1HD1 LEU 38 5.070 -4.237 12.004 259 HD12 LEU 38 2HD1 LEU 38 3.306 -4.218 11.984 260 HD13 LEU 38 3HD1 LEU 38 4.198 -2.736 12.320 261 HD21 LEU 38 1HD2 LEU 38 5.415 -2.216 8.863 262 HD22 LEU 38 2HD2 LEU 38 6.344 -3.093 10.078 263 HD23 LEU 38 3HD2 LEU 38 5.489 -1.615 10.519 264 H GLY 39 H GLY 39 5.812 -6.873 7.437 265 HA2 GLY 39 1HA GLY 39 5.640 -9.022 6.703 266 HA3 GLY 39 2HA GLY 39 5.637 -9.505 8.388 267 H LEU 40 H LEU 40 3.102 -7.389 7.408 268 HA LEU 40 HA LEU 40 1.202 -9.624 7.268 269 HB2 LEU 40 1HB LEU 40 0.976 -7.356 8.651 270 HB3 LEU 40 2HB LEU 40 0.357 -6.754 7.129 271 HG LEU 40 HG LEU 40 -1.474 -7.391 8.582 272 HD11 LEU 40 1HD1 LEU 40 -1.811 -7.745 6.199 273 HD12 LEU 40 2HD1 LEU 40 -2.688 -8.936 7.153 274 HD13 LEU 40 3HD1 LEU 40 -1.189 -9.390 6.345 275 HD21 LEU 40 1HD2 LEU 40 -0.367 -9.011 9.991 276 HD22 LEU 40 2HD2 LEU 40 -0.239 -10.140 8.642 277 HD23 LEU 40 3HD2 LEU 40 -1.827 -9.712 9.285 278 H VAL 41 H VAL 41 2.766 -7.187 5.385 279 HA VAL 41 HA VAL 41 0.887 -6.708 3.376 280 HB VAL 41 HB VAL 41 3.898 -6.529 3.126 281 HG11 VAL 41 1HG1 VAL 41 3.416 -4.777 1.456 282 HG12 VAL 41 2HG1 VAL 41 1.693 -5.124 1.607 283 HG13 VAL 41 3HG1 VAL 41 2.790 -6.353 0.972 284 HG21 VAL 41 1HG2 VAL 41 3.655 -4.199 3.848 285 HG22 VAL 41 2HG2 VAL 41 3.111 -5.319 5.098 286 HG23 VAL 41 3HG2 VAL 41 1.928 -4.458 4.111 287 H TYR 42 H TYR 42 2.924 -9.443 3.858 288 HA TYR 42 HA TYR 42 3.363 -10.360 1.275 289 HB2 TYR 42 2HB TYR 42 3.652 -12.559 2.204 290 HB3 TYR 42 1HB TYR 42 4.276 -11.398 3.368 291 HD1 TYR 42 1HD TYR 42 2.766 -10.767 5.343 292 HD2 TYR 42 2HD TYR 42 2.032 -14.142 2.853 293 HE1 TYR 42 1HE TYR 42 1.375 -11.759 7.106 294 HE2 TYR 42 2HE TYR 42 0.633 -15.137 4.612 295 HH TYR 42 HH TYR 42 0.451 -14.975 7.116 296 H GLY 43 H GLY 43 0.423 -10.196 3.086 297 HA2 GLY 43 1HA GLY 43 -1.051 -11.923 1.263 298 HA3 GLY 43 2HA GLY 43 -1.708 -11.025 2.624 299 H LEU 44 H LEU 44 -0.398 -10.607 -0.653 300 HA LEU 44 HA LEU 44 -2.297 -8.388 -1.004 301 HB2 LEU 44 1HB LEU 44 -0.659 -7.219 -2.413 302 HB3 LEU 44 2HB LEU 44 -0.121 -7.394 -0.758 303 HG LEU 44 HG LEU 44 1.168 -9.501 -1.751 304 HD11 LEU 44 1HD1 LEU 44 1.998 -9.098 -4.006 305 HD12 LEU 44 2HD1 LEU 44 0.935 -7.699 -4.161 306 HD13 LEU 44 3HD1 LEU 44 0.248 -9.314 -4.006 307 HD21 LEU 44 1HD2 LEU 44 2.125 -6.666 -2.158 308 HD22 LEU 44 2HD2 LEU 44 3.135 -8.106 -2.026 309 HD23 LEU 44 3HD2 LEU 44 2.189 -7.564 -0.640 310 H ASP 45 H ASP 45 -3.538 -8.467 -2.722 311 HA ASP 45 HA ASP 45 -2.818 -9.983 -5.099 312 HB2 ASP 45 1HB ASP 45 -5.145 -10.702 -3.307 313 HB3 ASP 45 2HB ASP 45 -5.218 -11.009 -5.037 314 H VAL 46 H VAL 46 -4.668 -9.634 -6.773 315 HA VAL 46 HA VAL 46 -6.154 -7.159 -6.227 316 HB VAL 46 HB VAL 46 -5.647 -6.211 -8.407 317 HG11 VAL 46 1HG1 VAL 46 -3.294 -5.623 -8.109 318 HG12 VAL 46 2HG1 VAL 46 -3.086 -6.975 -6.993 319 HG13 VAL 46 3HG1 VAL 46 -4.138 -5.628 -6.560 320 HG21 VAL 46 1HG2 VAL 46 -5.352 -8.262 -9.679 321 HG22 VAL 46 2HG2 VAL 46 -3.843 -8.590 -8.827 322 HG23 VAL 46 3HG2 VAL 46 -3.967 -7.191 -9.893 323 H GLN 47 H GLN 47 -8.159 -7.055 -7.186 324 HA GLN 47 HA GLN 47 -9.019 -9.461 -8.667 325 HB2 GLN 47 1HB GLN 47 -10.702 -7.626 -6.936 326 HB3 GLN 47 2HB GLN 47 -11.301 -9.009 -7.840 327 HG2 GLN 47 1HG GLN 47 -9.635 -10.388 -6.455 328 HG3 GLN 47 2HG GLN 47 -9.548 -8.972 -5.409 329 HE21 GLN 47 1HE2 GLN 47 -12.732 -9.429 -4.004 330 HE22 GLN 47 2HE2 GLN 47 -11.440 -8.321 -4.281 331 H ASP 48 H ASP 48 -9.429 -9.117 -10.723 332 HA ASP 48 HA ASP 48 -9.758 -6.470 -11.802 333 HB2 ASP 48 1HB ASP 48 -8.540 -8.239 -13.029 334 HB3 ASP 48 2HB ASP 48 -10.026 -9.178 -13.143 335 H GLY 49 H GLY 49 -11.645 -5.434 -11.640 336 HA2 GLY 49 1HA GLY 49 -14.130 -7.027 -11.634 337 HA3 GLY 49 2HA GLY 49 -13.931 -5.470 -10.844 338 H ASP 50 H ASP 50 -15.984 -6.143 -12.653 339 HA ASP 50 HA ASP 50 -15.655 -5.350 -15.287 340 HB2 ASP 50 1HB ASP 50 -18.057 -4.944 -13.481 341 HB3 ASP 50 2HB ASP 50 -18.086 -4.804 -15.236 342 H GLU 51 H GLU 51 -16.032 -3.400 -12.399 343 HA GLU 51 HA GLU 51 -16.289 -0.935 -13.938 344 HB2 GLU 51 1HB GLU 51 -16.622 0.119 -11.720 345 HB3 GLU 51 2HB GLU 51 -17.750 -1.194 -12.030 346 HG2 GLU 51 1HG GLU 51 -16.192 -2.683 -10.705 347 HG3 GLU 51 2HG GLU 51 -15.343 -1.214 -10.225 348 H GLY 52 H GLY 52 -13.782 -2.824 -13.001 349 HA2 GLY 52 1HA GLY 52 -11.654 -1.581 -13.796 350 HA3 GLY 52 2HA GLY 52 -11.973 -0.590 -12.379 351 H THR 53 H THR 53 -9.638 -2.185 -12.910 352 HA THR 53 HA THR 53 -9.703 -4.520 -11.258 353 HB THR 53 HB THR 53 -7.276 -2.918 -12.115 354 HG1 THR 53 1HG THR 53 -8.880 -4.806 -13.488 355 HG21 THR 53 1HG2 THR 53 -6.107 -5.080 -11.914 356 HG22 THR 53 2HG2 THR 53 -7.596 -5.826 -11.334 357 HG23 THR 53 3HG2 THR 53 -6.806 -4.573 -10.376 358 H VAL 54 H VAL 54 -9.720 -4.549 -9.107 359 HA VAL 54 HA VAL 54 -8.836 -2.170 -7.607 360 HB VAL 54 HB VAL 54 -10.616 -4.459 -6.721 361 HG11 VAL 54 1HG1 VAL 54 -9.873 -1.911 -5.271 362 HG12 VAL 54 2HG1 VAL 54 -9.331 -3.537 -4.857 363 HG13 VAL 54 3HG1 VAL 54 -11.037 -3.113 -4.712 364 HG21 VAL 54 1HG2 VAL 54 -11.741 -3.047 -8.347 365 HG22 VAL 54 2HG2 VAL 54 -11.288 -1.601 -7.442 366 HG23 VAL 54 3HG2 VAL 54 -12.415 -2.763 -6.742 367 H ALA 55 H ALA 55 -7.170 -2.318 -6.168 368 HA ALA 55 HA ALA 55 -5.737 -4.906 -6.094 369 HB1 ALA 55 1HB ALA 55 -3.806 -3.602 -5.339 370 HB2 ALA 55 2HB ALA 55 -4.791 -2.140 -5.290 371 HB3 ALA 55 3HB ALA 55 -4.469 -2.933 -6.829 372 H LEU 56 H LEU 56 -5.797 -6.127 -4.290 373 HA LEU 56 HA LEU 56 -6.865 -4.985 -1.799 374 HB2 LEU 56 1HB LEU 56 -6.375 -7.907 -2.398 375 HB3 LEU 56 2HB LEU 56 -7.360 -7.224 -1.116 376 HG LEU 56 HG LEU 56 -7.983 -7.234 -4.069 377 HD11 LEU 56 1HD1 LEU 56 -9.867 -8.641 -3.409 378 HD12 LEU 56 2HD1 LEU 56 -9.335 -8.584 -1.729 379 HD13 LEU 56 3HD1 LEU 56 -8.331 -9.372 -2.949 380 HD21 LEU 56 1HD2 LEU 56 -10.131 -6.182 -3.438 381 HD22 LEU 56 2HD2 LEU 56 -8.751 -5.132 -3.119 382 HD23 LEU 56 3HD2 LEU 56 -9.533 -5.987 -1.788 383 H ILE 57 H ILE 57 -5.472 -4.514 -0.207 384 HA ILE 57 HA ILE 57 -2.913 -5.978 -0.079 385 HB ILE 57 HB ILE 57 -3.256 -3.046 0.611 386 HG12 ILE 57 1HG1 ILE 57 -3.510 -3.401 -1.831 387 HG13 ILE 57 2HG1 ILE 57 -2.034 -2.523 -1.447 388 HG21 ILE 57 1HG2 ILE 57 -0.778 -4.756 0.328 389 HG22 ILE 57 2HG2 ILE 57 -1.481 -4.192 1.844 390 HG23 ILE 57 3HG2 ILE 57 -0.806 -3.032 0.699 391 HD11 ILE 57 1HD1 ILE 57 -1.661 -4.165 -3.193 392 HD12 ILE 57 2HD1 ILE 57 -2.225 -5.451 -2.127 393 HD13 ILE 57 3HD1 ILE 57 -0.744 -4.575 -1.744 394 H ASP 58 H ASP 58 -3.049 -7.225 1.687 395 HA ASP 58 HA ASP 58 -4.447 -6.398 4.073 396 HB2 ASP 58 1HB ASP 58 -2.714 -8.787 3.401 397 HB3 ASP 58 2HB ASP 58 -3.336 -8.509 5.021 398 H MET 59 H MET 59 -3.611 -5.144 5.615 399 HA MET 59 HA MET 59 -0.701 -5.053 6.019 400 HB2 MET 59 1HB MET 59 -2.490 -2.636 5.657 401 HB3 MET 59 2HB MET 59 -0.849 -2.560 6.281 402 HG2 MET 59 1HG MET 59 -0.028 -3.502 4.154 403 HG3 MET 59 2HG MET 59 -1.680 -3.485 3.540 404 HE1 MET 59 1HE MET 59 0.014 -0.764 5.851 405 HE2 MET 59 2HE MET 59 0.679 0.331 4.640 406 HE3 MET 59 3HE MET 59 1.326 -1.301 4.804 407 H THR 60 H THR 60 -0.187 -3.771 8.066 408 HA THR 60 HA THR 60 -2.310 -3.607 10.022 409 HB THR 60 HB THR 60 -1.560 -5.981 10.200 410 HG1 THR 60 1HG THR 60 -2.089 -5.672 12.211 411 HG21 THR 60 1HG2 THR 60 1.087 -4.765 11.034 412 HG22 THR 60 2HG2 THR 60 0.795 -5.700 9.568 413 HG23 THR 60 3HG2 THR 60 0.655 -6.471 11.148 414 H LEU 61 H LEU 61 -1.502 -2.658 12.065 415 HA LEU 61 HA LEU 61 0.961 -1.081 11.759 416 HB2 LEU 61 1HB LEU 61 -1.725 -0.019 12.680 417 HB3 LEU 61 2HB LEU 61 -0.216 0.871 12.769 418 HG LEU 61 HG LEU 61 -1.569 -0.032 10.217 419 HD11 LEU 61 1HD1 LEU 61 -2.797 1.764 11.332 420 HD12 LEU 61 2HD1 LEU 61 -2.025 2.343 9.855 421 HD13 LEU 61 3HD1 LEU 61 -1.321 2.726 11.427 422 HD21 LEU 61 1HD2 LEU 61 0.860 0.029 9.985 423 HD22 LEU 61 2HD2 LEU 61 0.892 1.672 10.626 424 HD23 LEU 61 3HD2 LEU 61 0.108 1.343 9.081 425 H THR 62 H THR 62 1.730 -0.235 13.858 426 HA THR 62 HA THR 62 2.178 -2.212 15.675 427 HB THR 62 HB THR 62 2.112 0.714 16.428 428 HG1 THR 62 1HG THR 62 4.522 -0.048 15.593 429 HG21 THR 62 1HG2 THR 62 4.030 0.099 17.840 430 HG22 THR 62 2HG2 THR 62 3.879 -1.578 17.317 431 HG23 THR 62 3HG2 THR 62 2.594 -0.833 18.270 432 H SER 63 H SER 63 -0.147 0.471 16.174 433 HA SER 63 HA SER 63 -1.517 -1.209 18.178 434 HB2 SER 63 1HB SER 63 -0.595 0.951 19.026 435 HB3 SER 63 2HB SER 63 -1.629 1.811 17.885 436 HG SER 63 HG SER 63 -2.715 -0.033 19.726 437 H ALA 64 H ALA 64 -1.741 -0.057 15.062 438 HA ALA 64 HA ALA 64 -3.344 -0.005 13.465 439 HB1 ALA 64 1HB ALA 64 -3.837 -2.263 14.266 440 HB2 ALA 64 2HB ALA 64 -5.295 -1.441 13.714 441 HB3 ALA 64 3HB ALA 64 -4.973 -1.602 15.441 442 H ALA 65 H ALA 65 -3.515 1.771 16.120 443 HA ALA 65 HA ALA 65 -5.947 3.186 15.224 444 HB1 ALA 65 1HB ALA 65 -6.174 2.329 17.519 445 HB2 ALA 65 2HB ALA 65 -6.137 4.092 17.493 446 HB3 ALA 65 3HB ALA 65 -4.704 3.187 17.985 447 H CYS 66 H CYS 66 -2.899 3.152 14.672 448 HA CYS 66 HA CYS 66 -1.947 5.725 15.464 449 HB2 CYS 66 2HB CYS 66 -0.827 3.881 13.339 450 HB3 CYS 66 1HB CYS 66 0.035 5.140 14.220 451 HG CYS 66 HG CYS 66 -0.480 3.713 16.728 452 HA PRO 67 HA PRO 67 -3.790 8.042 12.146 453 HB2 PRO 67 2HB PRO 67 -2.204 10.247 12.180 454 HB3 PRO 67 1HB PRO 67 -3.385 9.907 13.451 455 HG2 PRO 67 2HG PRO 67 -0.427 9.392 13.432 456 HG3 PRO 67 1HG PRO 67 -1.431 10.094 14.717 457 HD2 PRO 67 2HD PRO 67 -0.654 7.500 14.744 458 HD3 PRO 67 1HD PRO 67 -2.215 8.027 15.408 459 H LEU 68 H LEU 68 -1.221 6.230 11.719 460 HA LEU 68 HA LEU 68 -0.075 7.457 9.355 461 HB2 LEU 68 1HB LEU 68 0.441 4.822 10.750 462 HB3 LEU 68 2HB LEU 68 1.220 5.274 9.246 463 HG LEU 68 HG LEU 68 2.205 7.259 10.414 464 HD11 LEU 68 1HD1 LEU 68 1.165 5.925 12.915 465 HD12 LEU 68 2HD1 LEU 68 0.578 7.447 12.242 466 HD13 LEU 68 3HD1 LEU 68 2.232 7.330 12.842 467 HD21 LEU 68 1HD2 LEU 68 2.877 4.563 11.596 468 HD22 LEU 68 2HD2 LEU 68 3.923 5.985 11.585 469 HD23 LEU 68 3HD2 LEU 68 3.482 5.205 10.066 470 H THR 69 H THR 69 -2.832 5.742 10.029 471 HA THR 69 HA THR 69 -2.941 3.838 7.965 472 HB THR 69 HB THR 69 -4.515 3.696 9.770 473 HG1 THR 69 1HG THR 69 -5.905 4.352 7.360 474 HG21 THR 69 1HG2 THR 69 -6.321 5.301 10.124 475 HG22 THR 69 2HG2 THR 69 -5.692 6.315 8.825 476 HG23 THR 69 3HG2 THR 69 -4.748 6.082 10.297 477 H ASP 70 H ASP 70 -4.254 7.175 8.043 478 HA ASP 70 HA ASP 70 -5.072 7.134 5.320 479 HB2 ASP 70 1HB ASP 70 -5.114 9.683 5.625 480 HB3 ASP 70 2HB ASP 70 -6.167 8.731 6.666 481 H VAL 71 H VAL 71 -2.083 7.838 6.944 482 HA VAL 71 HA VAL 71 -0.762 9.170 4.838 483 HB VAL 71 HB VAL 71 0.433 7.419 7.007 484 HG11 VAL 71 1HG1 VAL 71 1.748 9.501 5.246 485 HG12 VAL 71 2HG1 VAL 71 2.002 7.758 5.162 486 HG13 VAL 71 3HG1 VAL 71 2.516 8.655 6.590 487 HG21 VAL 71 1HG2 VAL 71 0.841 9.530 8.197 488 HG22 VAL 71 2HG2 VAL 71 -0.881 9.258 7.932 489 HG23 VAL 71 3HG2 VAL 71 -0.005 10.411 6.925 490 H ILE 72 H ILE 72 -0.758 5.707 5.791 491 HA ILE 72 HA ILE 72 0.853 4.937 3.580 492 HB ILE 72 HB ILE 72 0.277 2.597 4.147 493 HG12 ILE 72 1HG1 ILE 72 -0.952 2.400 6.477 494 HG13 ILE 72 2HG1 ILE 72 -1.684 3.926 6.008 495 HG21 ILE 72 1HG2 ILE 72 1.097 4.333 6.478 496 HG22 ILE 72 2HG2 ILE 72 2.151 3.687 5.220 497 HG23 ILE 72 3HG2 ILE 72 1.364 2.593 6.358 498 HD11 ILE 72 1HD1 ILE 72 -3.112 2.032 5.475 499 HD12 ILE 72 2HD1 ILE 72 -1.843 1.345 4.458 500 HD13 ILE 72 3HD1 ILE 72 -2.603 2.873 4.010 501 H GLU 73 H GLU 73 -2.610 5.231 4.068 502 HA GLU 73 HA GLU 73 -3.450 3.969 1.693 503 HB2 GLU 73 1HB GLU 73 -4.654 6.246 3.280 504 HB3 GLU 73 2HB GLU 73 -5.434 5.572 1.854 505 HG2 GLU 73 1HG GLU 73 -5.478 3.369 2.947 506 HG3 GLU 73 2HG GLU 73 -4.768 4.086 4.391 507 H ASP 74 H ASP 74 -2.566 7.362 2.342 508 HA ASP 74 HA ASP 74 -2.961 8.315 -0.276 509 HB2 ASP 74 1HB ASP 74 -2.729 9.835 1.634 510 HB3 ASP 74 2HB ASP 74 -1.055 9.330 1.854 511 H GLN 75 H GLN 75 -0.064 7.099 1.349 512 HA GLN 75 HA GLN 75 1.799 7.453 -0.679 513 HB2 GLN 75 1HB GLN 75 1.635 5.229 1.372 514 HB3 GLN 75 2HB GLN 75 3.060 5.604 0.410 515 HG2 GLN 75 1HG GLN 75 3.293 7.741 1.476 516 HG3 GLN 75 2HG GLN 75 1.758 7.540 2.319 517 HE21 GLN 75 1HE2 GLN 75 4.746 6.697 4.472 518 HE22 GLN 75 2HE2 GLN 75 4.412 8.017 3.410 519 H SER 76 H SER 76 -0.167 4.563 -0.001 520 HA SER 76 HA SER 76 0.814 3.095 -2.215 521 HB2 SER 76 1HB SER 76 -0.149 2.027 -0.208 522 HB3 SER 76 2HB SER 76 -1.732 2.679 -0.626 523 HG SER 76 HG SER 76 -0.465 0.473 -1.573 524 H ARG 77 H ARG 77 -2.312 4.801 -1.693 525 HA ARG 77 HA ARG 77 -3.477 4.151 -4.136 526 HB2 ARG 77 1HB ARG 77 -5.022 5.956 -3.794 527 HB3 ARG 77 2HB ARG 77 -4.636 5.298 -2.210 528 HG2 ARG 77 1HG ARG 77 -3.078 7.146 -1.819 529 HG3 ARG 77 2HG ARG 77 -3.460 7.807 -3.408 530 HD2 ARG 77 1HD ARG 77 -5.812 8.077 -2.696 531 HD3 ARG 77 2HD ARG 77 -5.377 7.476 -1.093 532 HE ARG 77 HE ARG 77 -3.711 9.653 -1.808 533 HH11 ARG 77 1HH1 ARG 77 -6.983 8.970 -0.738 534 HH12 ARG 77 2HH1 ARG 77 -7.209 10.543 -0.046 535 HH21 ARG 77 1HH2 ARG 77 -4.004 11.697 -0.874 536 HH22 ARG 77 2HH2 ARG 77 -5.526 12.100 -0.136 537 H SER 78 H SER 78 -1.356 6.889 -3.335 538 HA SER 78 HA SER 78 -1.691 8.310 -5.724 539 HB2 SER 78 1HB SER 78 0.383 9.499 -5.088 540 HB3 SER 78 2HB SER 78 -0.716 9.325 -3.720 541 HG SER 78 HG SER 78 0.585 7.809 -2.840 542 H ALA 79 H ALA 79 0.743 5.868 -4.827 543 HA ALA 79 HA ALA 79 2.197 6.153 -7.265 544 HB1 ALA 79 1HB ALA 79 3.251 5.312 -5.217 545 HB2 ALA 79 2HB ALA 79 3.415 4.161 -6.543 546 HB3 ALA 79 3HB ALA 79 2.223 3.878 -5.274 547 H LEU 80 H LEU 80 -0.095 3.686 -6.060 548 HA LEU 80 HA LEU 80 0.124 2.036 -8.340 549 HB2 LEU 80 1HB LEU 80 -1.886 2.223 -6.117 550 HB3 LEU 80 2HB LEU 80 -2.187 1.167 -7.484 551 HG LEU 80 HG LEU 80 -0.077 -0.043 -7.010 552 HD11 LEU 80 1HD1 LEU 80 1.121 0.314 -4.924 553 HD12 LEU 80 2HD1 LEU 80 0.073 1.679 -4.533 554 HD13 LEU 80 3HD1 LEU 80 1.159 1.768 -5.921 555 HD21 LEU 80 1HD2 LEU 80 -0.847 -1.210 -5.008 556 HD22 LEU 80 2HD2 LEU 80 -2.188 -0.869 -6.099 557 HD23 LEU 80 3HD2 LEU 80 -1.960 0.110 -4.650 558 H VAL 81 H VAL 81 -1.900 4.801 -7.641 559 HA VAL 81 HA VAL 81 -3.406 4.500 -10.100 560 HB VAL 81 HB VAL 81 -4.273 5.629 -7.963 561 HG11 VAL 81 1HG1 VAL 81 -2.738 7.976 -9.075 562 HG12 VAL 81 2HG1 VAL 81 -2.373 7.121 -7.577 563 HG13 VAL 81 3HG1 VAL 81 -3.881 8.022 -7.732 564 HG21 VAL 81 1HG2 VAL 81 -4.594 7.011 -10.630 565 HG22 VAL 81 2HG2 VAL 81 -5.675 7.202 -9.250 566 HG23 VAL 81 3HG2 VAL 81 -5.525 5.633 -10.041 567 H GLY 82 H GLY 82 -0.455 5.979 -9.031 568 HA2 GLY 82 1HA GLY 82 -0.312 8.088 -10.946 569 HA3 GLY 82 2HA GLY 82 1.030 7.429 -10.018 570 H SER 83 H SER 83 0.617 4.723 -10.926 571 HA SER 83 HA SER 83 1.797 4.936 -13.594 572 HB2 SER 83 1HB SER 83 1.440 2.521 -11.792 573 HB3 SER 83 2HB SER 83 2.354 2.557 -13.302 574 HG SER 83 HG SER 83 3.377 2.954 -11.032 575 H GLY 84 H GLY 84 -1.224 4.531 -12.227 576 HA2 GLY 84 1HA GLY 84 -3.282 4.030 -13.103 577 HA3 GLY 84 2HA GLY 84 -2.529 4.049 -14.692 578 H LEU 85 H LEU 85 -1.916 1.958 -11.890 579 HA LEU 85 HA LEU 85 -1.999 -0.365 -13.635 580 HB2 LEU 85 1HB LEU 85 -1.401 -0.186 -10.676 581 HB3 LEU 85 2HB LEU 85 -1.156 -1.595 -11.695 582 HG LEU 85 HG LEU 85 0.321 1.035 -11.893 583 HD11 LEU 85 1HD1 LEU 85 1.024 -0.313 -10.001 584 HD12 LEU 85 2HD1 LEU 85 2.275 -0.283 -11.242 585 HD13 LEU 85 3HD1 LEU 85 1.252 -1.710 -11.054 586 HD21 LEU 85 1HD2 LEU 85 1.674 -0.058 -13.625 587 HD22 LEU 85 2HD2 LEU 85 -0.011 0.102 -14.115 588 HD23 LEU 85 3HD2 LEU 85 0.604 -1.462 -13.575 589 H VAL 86 H VAL 86 -3.824 1.030 -10.980 590 HA VAL 86 HA VAL 86 -6.021 -0.839 -11.514 591 HB VAL 86 HB VAL 86 -6.470 -1.072 -9.079 592 HG11 VAL 86 1HG1 VAL 86 -3.741 -2.080 -9.908 593 HG12 VAL 86 2HG1 VAL 86 -5.284 -2.839 -10.298 594 HG13 VAL 86 3HG1 VAL 86 -4.751 -2.742 -8.623 595 HG21 VAL 86 1HG2 VAL 86 -5.290 0.929 -8.294 596 HG22 VAL 86 2HG2 VAL 86 -3.744 0.197 -8.730 597 HG23 VAL 86 3HG2 VAL 86 -4.728 -0.513 -7.449 598 H ASP 87 H ASP 87 -8.096 -0.051 -10.562 599 HA ASP 87 HA ASP 87 -8.339 2.787 -11.064 600 HB2 ASP 87 1HB ASP 87 -10.022 1.144 -11.912 601 HB3 ASP 87 2HB ASP 87 -10.500 0.822 -10.247 602 H ASP 88 H ASP 88 -8.645 0.580 -8.332 603 HA ASP 88 HA ASP 88 -8.017 2.732 -6.525 604 HB2 ASP 88 1HB ASP 88 -9.929 2.538 -5.066 605 HB3 ASP 88 2HB ASP 88 -10.505 2.891 -6.689 606 H ILE 89 H ILE 89 -7.871 1.899 -4.238 607 HA ILE 89 HA ILE 89 -6.929 -0.900 -4.232 608 HB ILE 89 HB ILE 89 -5.122 -0.271 -2.708 609 HG12 ILE 89 1HG1 ILE 89 -5.878 2.628 -3.183 610 HG13 ILE 89 2HG1 ILE 89 -6.360 1.734 -1.745 611 HG21 ILE 89 1HG2 ILE 89 -5.120 1.432 -5.207 612 HG22 ILE 89 2HG2 ILE 89 -4.666 -0.270 -5.113 613 HG23 ILE 89 3HG2 ILE 89 -3.697 0.948 -4.282 614 HD11 ILE 89 1HD1 ILE 89 -3.534 2.287 -2.615 615 HD12 ILE 89 2HD1 ILE 89 -4.019 1.389 -1.176 616 HD13 ILE 89 3HD1 ILE 89 -4.412 3.101 -1.320 617 H ARG 90 H ARG 90 -7.679 -2.131 -2.603 618 HA ARG 90 HA ARG 90 -8.944 -0.790 -0.319 619 HB2 ARG 90 1HB ARG 90 -9.729 -3.080 -1.894 620 HB3 ARG 90 2HB ARG 90 -9.483 -3.579 -0.230 621 HG2 ARG 90 1HG ARG 90 -11.761 -3.037 -0.414 622 HG3 ARG 90 2HG ARG 90 -11.017 -1.692 0.449 623 HD2 ARG 90 1HD ARG 90 -11.597 -1.699 -2.519 624 HD3 ARG 90 2HD ARG 90 -12.677 -1.023 -1.304 625 HE ARG 90 HE ARG 90 -10.004 0.046 -1.233 626 HH11 ARG 90 1HH1 ARG 90 -13.171 0.377 -2.657 627 HH12 ARG 90 2HH1 ARG 90 -12.955 2.051 -3.047 628 HH21 ARG 90 1HH2 ARG 90 -9.704 2.231 -1.762 629 HH22 ARG 90 2HH2 ARG 90 -10.995 3.120 -2.508 630 H ILE 91 H ILE 91 -7.431 -0.502 1.174 631 HA ILE 91 HA ILE 91 -5.558 -2.667 1.814 632 HB ILE 91 HB ILE 91 -5.653 0.205 2.790 633 HG12 ILE 91 1HG1 ILE 91 -3.753 -1.185 0.876 634 HG13 ILE 91 2HG1 ILE 91 -4.967 0.012 0.438 635 HG21 ILE 91 1HG2 ILE 91 -3.462 -0.268 3.821 636 HG22 ILE 91 2HG2 ILE 91 -3.621 -1.962 3.351 637 HG23 ILE 91 3HG2 ILE 91 -4.749 -1.259 4.510 638 HD11 ILE 91 1HD1 ILE 91 -2.539 0.485 2.155 639 HD12 ILE 91 2HD1 ILE 91 -3.769 1.689 1.769 640 HD13 ILE 91 3HD1 ILE 91 -2.770 1.007 0.488 641 H ASN 92 H ASN 92 -6.102 -4.013 3.409 642 HA ASN 92 HA ASN 92 -8.059 -3.043 5.398 643 HB2 ASN 92 1HB ASN 92 -8.791 -5.346 5.696 644 HB3 ASN 92 2HB ASN 92 -8.927 -4.877 4.011 645 HD21 ASN 92 1HD2 ASN 92 -6.520 -7.916 5.153 646 HD22 ASN 92 2HD2 ASN 92 -7.347 -6.913 6.301 647 H TRP 93 H TRP 93 -7.529 -3.060 7.493 648 HA TRP 93 HA TRP 93 -4.735 -3.754 8.089 649 HB2 TRP 93 2HB TRP 93 -6.566 -2.002 9.743 650 HB3 TRP 93 1HB TRP 93 -4.808 -2.089 9.802 651 HD1 TRP 93 1HD TRP 93 -3.456 -0.855 7.770 652 HE1 TRP 93 1HE TRP 93 -4.163 1.062 6.194 653 HE3 TRP 93 3HE TRP 93 -8.515 -0.993 8.517 654 HZ2 TRP 93 2HZ TRP 93 -6.535 2.340 5.382 655 HZ3 TRP 93 3HZ TRP 93 -9.930 0.614 7.303 656 HH2 TRP 93 2HH TRP 93 -8.960 2.247 5.768 657 H VAL 94 H VAL 94 -4.582 -5.748 8.915 658 HA VAL 94 HA VAL 94 -6.696 -6.764 10.681 659 HB VAL 94 HB VAL 94 -4.341 -8.385 9.749 660 HG11 VAL 94 1HG1 VAL 94 -7.188 -9.117 10.435 661 HG12 VAL 94 2HG1 VAL 94 -5.768 -9.369 11.450 662 HG13 VAL 94 3HG1 VAL 94 -5.932 -10.250 9.930 663 HG21 VAL 94 1HG2 VAL 94 -5.606 -9.066 7.755 664 HG22 VAL 94 2HG2 VAL 94 -5.228 -7.343 7.734 665 HG23 VAL 94 3HG2 VAL 94 -6.855 -7.883 8.150 666 H TRP 95 H TRP 95 -6.401 -6.745 12.799 667 HA TRP 95 HA TRP 95 -3.690 -6.982 13.901 668 HB2 TRP 95 2HB TRP 95 -4.351 -5.194 15.604 669 HB3 TRP 95 1HB TRP 95 -4.000 -4.638 13.973 670 HD1 TRP 95 1HD TRP 95 -6.305 -4.237 12.392 671 HE1 TRP 95 1HE TRP 95 -8.523 -3.152 13.100 672 HE3 TRP 95 3HE TRP 95 -5.892 -4.796 17.458 673 HZ2 TRP 95 2HZ TRP 95 -9.915 -2.597 15.495 674 HZ3 TRP 95 3HZ TRP 95 -7.708 -3.954 18.888 675 HH2 TRP 95 2HH TRP 95 -9.678 -2.877 17.926 676 H ASN 96 H ASN 96 -6.808 -8.116 13.880 677 HA ASN 96 HA ASN 96 -6.622 -9.912 15.953 678 HB2 ASN 96 1HB ASN 96 -6.537 -8.012 17.519 679 HB3 ASN 96 2HB ASN 96 -8.053 -7.394 16.876 680 HD21 ASN 96 1HD2 ASN 96 -9.513 -8.981 19.627 681 HD22 ASN 96 2HD2 ASN 96 -8.993 -7.481 18.942 682 HA PRO 97 HA PRO 97 -11.277 -9.527 14.721 683 HB2 PRO 97 2HB PRO 97 -12.023 -7.619 12.944 684 HB3 PRO 97 1HB PRO 97 -11.977 -7.324 14.687 685 HG2 PRO 97 2HG PRO 97 -9.944 -6.612 12.598 686 HG3 PRO 97 1HG PRO 97 -10.574 -5.620 13.927 687 HD2 PRO 97 2HD PRO 97 -8.190 -6.898 14.074 688 HD3 PRO 97 1HD PRO 97 -9.216 -6.640 15.501 689 HA PRO 98 HA PRO 98 -10.497 -11.903 11.012 690 HB2 PRO 98 2HB PRO 98 -13.449 -12.069 10.781 691 HB3 PRO 98 1HB PRO 98 -12.261 -13.366 10.944 692 HG2 PRO 98 2HG PRO 98 -13.876 -12.709 12.976 693 HG3 PRO 98 1HG PRO 98 -12.191 -13.191 13.258 694 HD2 PRO 98 2HD PRO 98 -13.394 -10.441 13.226 695 HD3 PRO 98 1HD PRO 98 -12.194 -11.132 14.340 696 H TRP 99 H TRP 99 -10.425 -11.525 8.846 697 HA TRP 99 HA TRP 99 -10.533 -8.994 7.850 698 HB2 TRP 99 2HB TRP 99 -10.936 -11.533 6.252 699 HB3 TRP 99 1HB TRP 99 -10.403 -9.983 5.609 700 HD1 TRP 99 1HD TRP 99 -7.859 -9.282 6.044 701 HE1 TRP 99 1HE TRP 99 -5.799 -10.613 6.784 702 HE3 TRP 99 3HE TRP 99 -10.197 -13.485 7.788 703 HZ2 TRP 99 2HZ TRP 99 -5.227 -13.112 7.967 704 HZ3 TRP 99 3HZ TRP 99 -8.816 -15.300 8.710 705 HH2 TRP 99 2HH TRP 99 -6.382 -15.117 8.796 706 H GLY 100 H GLY 100 -12.205 -7.666 7.825 707 HA2 GLY 100 1HA GLY 100 -14.444 -8.121 6.126 708 HA3 GLY 100 2HA GLY 100 -14.903 -8.245 7.819 709 HA PRO 101 HA PRO 101 -15.555 -3.902 7.992 710 HB2 PRO 101 2HB PRO 101 -14.260 -3.848 10.663 711 HB3 PRO 101 1HB PRO 101 -15.915 -3.431 10.207 712 HG2 PRO 101 2HG PRO 101 -15.380 -5.681 11.553 713 HG3 PRO 101 1HG PRO 101 -16.639 -5.636 10.303 714 HD2 PRO 101 2HD PRO 101 -13.841 -6.712 10.139 715 HD3 PRO 101 1HD PRO 101 -15.350 -7.394 9.493 716 H ASP 102 H ASP 102 -12.366 -5.095 8.828 717 HA ASP 102 HA ASP 102 -11.006 -2.612 8.903 718 HB2 ASP 102 1HB ASP 102 -8.956 -3.935 8.782 719 HB3 ASP 102 2HB ASP 102 -10.092 -4.680 9.901 720 H LYS 103 H LYS 103 -12.376 -4.285 6.332 721 HA LYS 103 HA LYS 103 -10.498 -3.455 4.298 722 HB2 LYS 103 1HB LYS 103 -13.246 -4.714 4.097 723 HB3 LYS 103 2HB LYS 103 -12.179 -4.417 2.729 724 HG2 LYS 103 1HG LYS 103 -10.530 -5.951 3.639 725 HG3 LYS 103 2HG LYS 103 -11.521 -6.201 5.076 726 HD2 LYS 103 1HD LYS 103 -13.277 -7.210 3.712 727 HD3 LYS 103 2HD LYS 103 -12.339 -6.905 2.248 728 HE2 LYS 103 1HE LYS 103 -11.419 -8.648 4.540 729 HE3 LYS 103 2HE LYS 103 -12.181 -9.252 3.069 730 HZ1 LYS 103 1HZ LYS 103 -10.360 -8.432 1.772 731 HZ2 LYS 103 2HZ LYS 103 -9.730 -9.373 3.028 732 HZ3 LYS 103 3HZ LYS 103 -9.651 -7.689 3.118 733 H ILE 104 H ILE 104 -12.801 -1.810 6.042 734 HA ILE 104 HA ILE 104 -13.930 -0.222 3.922 735 HB ILE 104 HB ILE 104 -13.897 0.267 6.912 736 HG12 ILE 104 1HG1 ILE 104 -16.067 -0.820 5.087 737 HG13 ILE 104 2HG1 ILE 104 -15.122 -1.772 6.227 738 HG21 ILE 104 1HG2 ILE 104 -14.183 2.363 5.688 739 HG22 ILE 104 2HG2 ILE 104 -15.686 1.899 6.483 740 HG23 ILE 104 3HG2 ILE 104 -15.495 1.649 4.748 741 HD11 ILE 104 1HD1 ILE 104 -17.310 -1.314 7.122 742 HD12 ILE 104 2HD1 ILE 104 -17.073 0.420 6.908 743 HD13 ILE 104 3HD1 ILE 104 -16.092 -0.468 8.076 744 H THR 105 H THR 105 -12.437 0.805 2.738 745 HA THR 105 HA THR 105 -10.149 2.128 3.830 746 HB THR 105 HB THR 105 -9.934 2.977 1.422 747 HG1 THR 105 1HG THR 105 -11.623 2.656 0.189 748 HG21 THR 105 1HG2 THR 105 -9.204 0.795 0.591 749 HG22 THR 105 2HG2 THR 105 -10.110 -0.012 1.871 750 HG23 THR 105 3HG2 THR 105 -8.728 1.006 2.276 751 H GLU 106 H GLU 106 -9.757 4.434 2.716 752 HA GLU 106 HA GLU 106 -11.022 6.305 4.257 753 HB2 GLU 106 1HB GLU 106 -10.021 8.001 2.871 754 HB3 GLU 106 2HB GLU 106 -8.898 6.661 3.058 755 HG2 GLU 106 1HG GLU 106 -9.366 5.869 0.847 756 HG3 GLU 106 2HG GLU 106 -10.675 7.035 0.652 757 H ASP 107 H ASP 107 -12.266 4.902 1.351 758 HA ASP 107 HA ASP 107 -13.889 6.939 0.364 759 HB2 ASP 107 1HB ASP 107 -14.466 3.960 0.436 760 HB3 ASP 107 2HB ASP 107 -15.296 5.126 -0.587 761 H GLY 108 H GLY 108 -14.746 4.378 2.697 762 HA2 GLY 108 1HA GLY 108 -17.250 5.660 3.385 763 HA3 GLY 108 2HA GLY 108 -16.580 4.208 4.116 764 H ARG 109 H ARG 109 -14.102 5.184 4.878 765 HA ARG 109 HA ARG 109 -14.553 6.119 7.444 766 HB2 ARG 109 1HB ARG 109 -12.491 5.036 6.805 767 HB3 ARG 109 2HB ARG 109 -12.127 6.323 5.673 768 HG2 ARG 109 1HG ARG 109 -11.880 7.892 7.564 769 HG3 ARG 109 2HG ARG 109 -12.140 6.543 8.675 770 HD2 ARG 109 1HD ARG 109 -10.152 5.444 7.926 771 HD3 ARG 109 2HD ARG 109 -9.965 6.568 6.580 772 HE ARG 109 HE ARG 109 -9.891 7.804 9.192 773 HH11 ARG 109 1HH1 ARG 109 -7.985 6.241 6.675 774 HH12 ARG 109 2HH1 ARG 109 -6.517 7.025 7.144 775 HH21 ARG 109 1HH2 ARG 109 -7.951 8.812 9.807 776 HH22 ARG 109 2HH2 ARG 109 -6.484 8.488 8.931 777 H GLU 110 H GLU 110 -13.794 7.954 4.519 778 HA GLU 110 HA GLU 110 -13.307 10.425 5.829 779 HB2 GLU 110 1HB GLU 110 -12.409 9.835 3.598 780 HB3 GLU 110 2HB GLU 110 -14.037 9.893 2.942 781 HG2 GLU 110 1HG GLU 110 -12.956 11.915 2.352 782 HG3 GLU 110 2HG GLU 110 -14.136 12.303 3.602 783 H GLN 111 H GLN 111 -16.177 8.790 4.896 784 HA GLN 111 HA GLN 111 -17.748 11.275 5.114 785 HB2 GLN 111 1HB GLN 111 -18.374 8.965 3.260 786 HB3 GLN 111 2HB GLN 111 -19.191 10.521 3.333 787 HG2 GLN 111 1HG GLN 111 -17.152 11.630 2.548 788 HG3 GLN 111 2HG GLN 111 -16.333 10.073 2.481 789 HE21 GLN 111 1HE2 GLN 111 -17.742 9.079 -0.555 790 HE22 GLN 111 2HE2 GLN 111 -16.857 8.608 0.855 791 H LEU 112 H LEU 112 -18.287 10.858 7.273 792 HA LEU 112 HA LEU 112 -20.459 8.963 7.600 793 HB2 LEU 112 1HB LEU 112 -18.321 7.731 8.165 794 HB3 LEU 112 2HB LEU 112 -18.108 8.859 9.486 795 HG LEU 112 HG LEU 112 -20.243 8.071 10.477 796 HD11 LEU 112 1HD1 LEU 112 -20.154 6.022 8.259 797 HD12 LEU 112 2HD1 LEU 112 -21.347 7.308 8.443 798 HD13 LEU 112 3HD1 LEU 112 -21.265 6.009 9.631 799 HD21 LEU 112 1HD2 LEU 112 -18.134 7.131 11.242 800 HD22 LEU 112 2HD2 LEU 112 -18.174 5.929 9.952 801 HD23 LEU 112 3HD2 LEU 112 -19.385 5.887 11.233 802 H ARG 113 H ARG 113 -21.670 9.324 9.495 803 HA ARG 113 HA ARG 113 -22.011 12.072 10.117 804 HB2 ARG 113 1HB ARG 113 -23.915 10.579 10.058 805 HB3 ARG 113 2HB ARG 113 -23.222 9.574 11.325 806 HG2 ARG 113 1HG ARG 113 -23.463 11.416 12.927 807 HG3 ARG 113 2HG ARG 113 -24.148 12.430 11.655 808 HD2 ARG 113 1HD ARG 113 -26.039 10.943 11.424 809 HD3 ARG 113 2HD ARG 113 -25.333 9.809 12.576 810 HE ARG 113 HE ARG 113 -25.503 12.002 14.077 811 HH11 ARG 113 1HH1 ARG 113 -27.854 10.587 11.901 812 HH12 ARG 113 2HH1 ARG 113 -29.215 11.106 12.843 813 HH21 ARG 113 1HH2 ARG 113 -27.293 12.693 15.299 814 HH22 ARG 113 2HH2 ARG 113 -28.900 12.333 14.749 815 H ALA 114 H ALA 114 -20.316 9.460 11.655 816 HA ALA 114 HA ALA 114 -20.231 10.422 14.295 817 HB1 ALA 114 1HB ALA 114 -18.218 8.662 12.890 818 HB2 ALA 114 2HB ALA 114 -19.697 8.107 13.674 819 HB3 ALA 114 3HB ALA 114 -18.411 8.839 14.635 820 H LEU 115 H LEU 115 -18.706 11.621 11.512 821 HA LEU 115 HA LEU 115 -16.415 12.761 12.890 822 HB2 LEU 115 1HB LEU 115 -16.495 11.887 10.462 823 HB3 LEU 115 2HB LEU 115 -17.338 13.369 10.075 824 HG LEU 115 HG LEU 115 -14.585 13.369 11.331 825 HD11 LEU 115 1HD1 LEU 115 -13.668 13.676 9.079 826 HD12 LEU 115 2HD1 LEU 115 -15.270 13.410 8.389 827 HD13 LEU 115 3HD1 LEU 115 -14.454 12.105 9.250 828 HD21 LEU 115 1HD2 LEU 115 -15.757 15.485 11.494 829 HD22 LEU 115 2HD2 LEU 115 -16.129 15.447 9.772 830 HD23 LEU 115 3HD2 LEU 115 -14.458 15.618 10.308 831 H GLY 116 H GLY 116 -19.653 13.607 12.075 832 HA2 GLY 116 1HA GLY 116 -19.264 16.442 11.835 833 HA3 GLY 116 2HA GLY 116 -20.798 15.598 11.880 834 H PHE 117 H PHE 117 -18.609 15.020 14.500 835 HA PHE 117 HA PHE 117 -20.364 16.522 16.295 836 HB2 PHE 117 2HB PHE 117 -19.380 15.286 18.089 837 HB3 PHE 117 1HB PHE 117 -19.673 14.136 16.791 838 HD1 PHE 117 1HD PHE 117 -17.636 13.714 15.187 839 HD2 PHE 117 2HD PHE 117 -17.311 15.321 19.115 840 HE1 PHE 117 1HE PHE 117 -15.283 13.009 15.279 841 HE2 PHE 117 2HE PHE 117 -14.959 14.621 19.210 842 HZ PHE 117 HZ PHE 117 -13.939 13.462 17.293 843 H THR 118 H THR 118 -17.607 17.027 14.541 844 HA THR 118 HA THR 118 -16.050 18.470 16.482 845 HB THR 118 HB THR 118 -15.702 18.321 13.475 846 HG1 THR 118 1HG THR 118 -15.270 16.296 13.983 847 HG21 THR 118 1HG2 THR 118 -13.357 18.898 13.971 848 HG22 THR 118 2HG2 THR 118 -13.762 19.069 15.681 849 HG23 THR 118 3HG2 THR 118 -14.457 20.174 14.492 850 H VAL 119 H VAL 119 -16.832 20.345 17.185 851 HA VAL 119 HA VAL 119 -17.774 22.317 15.215 852 HB VAL 119 HB VAL 119 -18.751 23.549 17.177 853 HG11 VAL 119 1HG1 VAL 119 -20.158 22.181 15.743 854 HG12 VAL 119 2HG1 VAL 119 -20.700 22.053 17.416 855 HG13 VAL 119 3HG1 VAL 119 -19.770 20.742 16.689 856 HG21 VAL 119 1HG2 VAL 119 -18.153 20.995 18.688 857 HG22 VAL 119 2HG2 VAL 119 -19.090 22.364 19.288 858 HG23 VAL 119 3HG2 VAL 119 -17.369 22.553 18.954 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 15.185 -1.837 3.634 2 H2 GLY 1 2H GLY 1 13.638 -1.250 3.306 3 H3 GLY 1 3H GLY 1 14.789 -1.331 2.071 4 HA2 GLY 1 1HA GLY 1 13.571 -3.636 3.477 5 HA3 GLY 1 2HA GLY 1 13.215 -3.123 1.832 6 HA PRO 2 HA PRO 2 17.594 -5.349 2.361 7 HB2 PRO 2 2HB PRO 2 16.338 -7.870 3.315 8 HB3 PRO 2 1HB PRO 2 17.840 -7.095 3.836 9 HG2 PRO 2 2HG PRO 2 15.667 -7.056 5.392 10 HG3 PRO 2 1HG PRO 2 16.745 -5.649 5.289 11 HD2 PRO 2 2HD PRO 2 14.087 -6.100 3.963 12 HD3 PRO 2 1HD PRO 2 14.727 -4.632 4.733 13 H GLY 3 H GLY 3 14.885 -7.625 1.932 14 HA2 GLY 3 1HA GLY 3 15.644 -7.905 -0.921 15 HA3 GLY 3 2HA GLY 3 15.108 -9.256 0.071 16 H SER 4 H SER 4 13.546 -6.317 0.715 17 HA SER 4 HA SER 4 10.999 -7.289 -0.016 18 HB2 SER 4 1HB SER 4 11.708 -4.387 0.485 19 HB3 SER 4 2HB SER 4 10.162 -5.192 0.770 20 HG SER 4 HG SER 4 10.866 -5.813 2.652 21 H MET 5 H MET 5 11.295 -7.857 -2.251 22 HA MET 5 HA MET 5 10.514 -5.719 -4.036 23 HB2 MET 5 1HB MET 5 13.074 -5.775 -3.976 24 HB3 MET 5 2HB MET 5 12.961 -7.349 -4.750 25 HG2 MET 5 1HG MET 5 11.842 -6.352 -6.663 26 HG3 MET 5 2HG MET 5 11.872 -4.773 -5.877 27 HE1 MET 5 1HE MET 5 14.249 -3.526 -5.232 28 HE2 MET 5 2HE MET 5 15.811 -4.257 -5.602 29 HE3 MET 5 3HE MET 5 14.727 -5.028 -4.439 30 H SER 6 H SER 6 9.271 -8.012 -2.971 31 HA SER 6 HA SER 6 9.292 -10.108 -4.987 32 HB2 SER 6 1HB SER 6 7.484 -11.053 -3.400 33 HB3 SER 6 2HB SER 6 9.125 -10.914 -2.763 34 HG SER 6 HG SER 6 7.431 -8.714 -2.417 35 H GLU 7 H GLU 7 8.032 -7.168 -4.927 36 HA GLU 7 HA GLU 7 5.261 -7.434 -5.222 37 HB2 GLU 7 1HB GLU 7 6.744 -5.207 -6.582 38 HB3 GLU 7 2HB GLU 7 5.232 -5.155 -5.689 39 HG2 GLU 7 1HG GLU 7 8.041 -5.168 -4.647 40 HG3 GLU 7 2HG GLU 7 6.744 -4.025 -4.320 41 H THR 8 H THR 8 4.436 -8.758 -6.711 42 HA THR 8 HA THR 8 5.619 -8.949 -9.368 43 HB THR 8 HB THR 8 3.272 -10.479 -8.217 44 HG1 THR 8 1HG THR 8 5.740 -10.570 -7.395 45 HG21 THR 8 1HG2 THR 8 3.421 -10.549 -10.670 46 HG22 THR 8 2HG2 THR 8 3.813 -12.121 -9.971 47 HG23 THR 8 3HG2 THR 8 5.102 -11.069 -10.557 48 H SER 9 H SER 9 5.038 -7.045 -10.395 49 HA SER 9 HA SER 9 2.396 -6.992 -11.514 50 HB2 SER 9 1HB SER 9 2.013 -5.788 -9.374 51 HB3 SER 9 2HB SER 9 3.288 -4.646 -9.797 52 HG SER 9 HG SER 9 1.766 -3.580 -10.760 53 H ALA 10 H ALA 10 2.412 -6.003 -13.490 54 HA ALA 10 HA ALA 10 3.138 -4.946 -15.361 55 HB1 ALA 10 1HB ALA 10 3.290 -2.989 -13.873 56 HB2 ALA 10 2HB ALA 10 4.518 -2.958 -15.139 57 HB3 ALA 10 3HB ALA 10 4.958 -3.418 -13.493 58 HA PRO 11 HA PRO 11 6.841 -7.013 -16.774 59 HB2 PRO 11 2HB PRO 11 7.717 -5.348 -18.753 60 HB3 PRO 11 1HB PRO 11 6.327 -6.425 -18.936 61 HG2 PRO 11 2HG PRO 11 6.383 -3.498 -18.299 62 HG3 PRO 11 1HG PRO 11 5.318 -4.381 -19.408 63 HD2 PRO 11 2HD PRO 11 4.530 -3.630 -16.932 64 HD3 PRO 11 1HD PRO 11 3.945 -5.119 -17.702 65 H ALA 12 H ALA 12 9.222 -6.614 -17.174 66 HA ALA 12 HA ALA 12 10.427 -5.966 -14.832 67 HB1 ALA 12 1HB ALA 12 11.476 -7.252 -16.624 68 HB2 ALA 12 2HB ALA 12 12.546 -5.987 -16.025 69 HB3 ALA 12 3HB ALA 12 11.700 -5.773 -17.556 70 H GLU 13 H GLU 13 10.436 -3.785 -17.678 71 HA GLU 13 HA GLU 13 11.998 -1.809 -16.407 72 HB2 GLU 13 1HB GLU 13 10.107 -1.410 -18.737 73 HB3 GLU 13 2HB GLU 13 11.478 -0.396 -18.306 74 HG2 GLU 13 1HG GLU 13 12.985 -2.311 -18.760 75 HG3 GLU 13 2HG GLU 13 11.588 -3.241 -19.298 76 H GLU 14 H GLU 14 8.496 -2.014 -16.990 77 HA GLU 14 HA GLU 14 7.834 0.463 -15.814 78 HB2 GLU 14 1HB GLU 14 6.178 -2.039 -16.230 79 HB3 GLU 14 2HB GLU 14 5.512 -0.506 -15.679 80 HG2 GLU 14 1HG GLU 14 6.206 0.565 -17.758 81 HG3 GLU 14 2HG GLU 14 6.932 -0.945 -18.307 82 H LEU 15 H LEU 15 8.062 -2.802 -14.486 83 HA LEU 15 HA LEU 15 7.011 -2.247 -11.939 84 HB2 LEU 15 1HB LEU 15 7.308 -4.523 -12.850 85 HB3 LEU 15 2HB LEU 15 9.043 -4.339 -12.751 86 HG LEU 15 HG LEU 15 7.851 -5.732 -10.938 87 HD11 LEU 15 1HD1 LEU 15 9.406 -5.022 -9.191 88 HD12 LEU 15 2HD1 LEU 15 9.747 -3.543 -10.087 89 HD13 LEU 15 3HD1 LEU 15 10.195 -5.109 -10.764 90 HD21 LEU 15 1HD2 LEU 15 6.047 -4.133 -10.462 91 HD22 LEU 15 2HD2 LEU 15 7.234 -2.980 -9.851 92 HD23 LEU 15 3HD2 LEU 15 6.986 -4.515 -9.020 93 H LEU 16 H LEU 16 10.339 -2.212 -13.177 94 HA LEU 16 HA LEU 16 11.690 -1.740 -10.797 95 HB2 LEU 16 1HB LEU 16 12.780 -2.291 -12.940 96 HB3 LEU 16 2HB LEU 16 12.374 -0.700 -13.554 97 HG LEU 16 HG LEU 16 13.829 0.322 -11.822 98 HD11 LEU 16 1HD1 LEU 16 14.534 -2.539 -11.158 99 HD12 LEU 16 2HD1 LEU 16 13.703 -1.386 -10.111 100 HD13 LEU 16 3HD1 LEU 16 15.384 -1.110 -10.565 101 HD21 LEU 16 1HD2 LEU 16 15.962 -0.332 -12.829 102 HD22 LEU 16 2HD2 LEU 16 14.712 -0.124 -14.054 103 HD23 LEU 16 3HD2 LEU 16 15.193 -1.745 -13.553 104 H ALA 17 H ALA 17 10.576 0.678 -13.169 105 HA ALA 17 HA ALA 17 11.352 2.941 -11.682 106 HB1 ALA 17 1HB ALA 17 9.949 4.216 -13.222 107 HB2 ALA 17 2HB ALA 17 9.192 2.724 -13.783 108 HB3 ALA 17 3HB ALA 17 10.905 3.013 -14.090 109 H ASP 18 H ASP 18 8.177 1.361 -12.020 110 HA ASP 18 HA ASP 18 6.714 3.157 -10.445 111 HB2 ASP 18 1HB ASP 18 5.591 1.568 -11.899 112 HB3 ASP 18 2HB ASP 18 6.232 0.211 -10.976 113 H VAL 19 H VAL 19 8.261 0.073 -9.537 114 HA VAL 19 HA VAL 19 7.467 0.231 -6.821 115 HB VAL 19 HB VAL 19 8.257 -1.883 -8.024 116 HG11 VAL 19 1HG1 VAL 19 10.632 -2.426 -7.915 117 HG12 VAL 19 2HG1 VAL 19 10.987 -0.815 -7.291 118 HG13 VAL 19 3HG1 VAL 19 10.356 -1.008 -8.927 119 HG21 VAL 19 1HG2 VAL 19 9.401 -1.266 -5.295 120 HG22 VAL 19 2HG2 VAL 19 9.148 -2.879 -5.961 121 HG23 VAL 19 3HG2 VAL 19 7.767 -1.833 -5.637 122 H GLU 20 H GLU 20 10.276 1.402 -8.601 123 HA GLU 20 HA GLU 20 11.892 2.126 -6.432 124 HB2 GLU 20 1HB GLU 20 12.593 2.176 -8.827 125 HB3 GLU 20 2HB GLU 20 11.600 3.607 -9.062 126 HG2 GLU 20 1HG GLU 20 13.944 4.192 -8.800 127 HG3 GLU 20 2HG GLU 20 12.979 4.842 -7.476 128 H GLU 21 H GLU 21 9.397 4.016 -8.154 129 HA GLU 21 HA GLU 21 9.571 6.272 -6.427 130 HB2 GLU 21 1HB GLU 21 7.298 5.375 -8.214 131 HB3 GLU 21 2HB GLU 21 7.399 6.942 -7.424 132 HG2 GLU 21 1HG GLU 21 9.563 7.305 -8.672 133 HG3 GLU 21 2HG GLU 21 9.173 5.855 -9.598 134 H ALA 22 H ALA 22 7.371 3.483 -6.521 135 HA ALA 22 HA ALA 22 5.672 4.208 -4.435 136 HB1 ALA 22 1HB ALA 22 6.561 1.427 -5.216 137 HB2 ALA 22 2HB ALA 22 5.228 2.328 -5.940 138 HB3 ALA 22 3HB ALA 22 5.138 1.826 -4.251 139 H MET 23 H MET 23 8.801 2.611 -4.393 140 HA MET 23 HA MET 23 8.883 1.911 -1.670 141 HB2 MET 23 1HB MET 23 11.028 2.347 -3.736 142 HB3 MET 23 2HB MET 23 11.446 1.997 -2.065 143 HG2 MET 23 1HG MET 23 9.726 0.244 -3.810 144 HG3 MET 23 2HG MET 23 11.444 -0.002 -3.509 145 HE1 MET 23 1HE MET 23 9.081 -2.185 -2.989 146 HE2 MET 23 2HE MET 23 9.671 -2.887 -1.482 147 HE3 MET 23 3HE MET 23 10.801 -2.510 -2.783 148 H ARG 24 H ARG 24 8.988 4.973 -3.109 149 HA ARG 24 HA ARG 24 10.517 6.224 -0.978 150 HB2 ARG 24 1HB ARG 24 10.548 7.063 -3.348 151 HB3 ARG 24 2HB ARG 24 8.866 7.536 -3.153 152 HG2 ARG 24 1HG ARG 24 10.156 9.489 -2.830 153 HG3 ARG 24 2HG ARG 24 9.609 8.990 -1.229 154 HD2 ARG 24 1HD ARG 24 11.925 9.632 -1.095 155 HD3 ARG 24 2HD ARG 24 11.815 7.883 -0.883 156 HE ARG 24 HE ARG 24 12.268 8.657 -3.606 157 HH11 ARG 24 1HH1 ARG 24 13.876 8.022 -0.552 158 HH12 ARG 24 2HH1 ARG 24 15.406 7.686 -1.295 159 HH21 ARG 24 1HH2 ARG 24 14.287 8.227 -4.564 160 HH22 ARG 24 2HH2 ARG 24 15.640 7.804 -3.564 161 H ASP 25 H ASP 25 7.225 5.403 -1.632 162 HA ASP 25 HA ASP 25 6.265 7.322 0.392 163 HB2 ASP 25 1HB ASP 25 4.829 6.006 -1.921 164 HB3 ASP 25 2HB ASP 25 3.996 6.906 -0.657 165 H VAL 26 H VAL 26 6.442 3.919 -0.379 166 HA VAL 26 HA VAL 26 4.557 3.273 1.774 167 HB VAL 26 HB VAL 26 4.631 0.980 0.985 168 HG11 VAL 26 1HG1 VAL 26 3.640 1.293 -1.225 169 HG12 VAL 26 2HG1 VAL 26 4.329 2.913 -1.319 170 HG13 VAL 26 3HG1 VAL 26 3.098 2.550 -0.112 171 HG21 VAL 26 1HG2 VAL 26 7.000 0.867 0.346 172 HG22 VAL 26 2HG2 VAL 26 6.681 1.913 -1.037 173 HG23 VAL 26 3HG2 VAL 26 5.957 0.307 -0.961 174 H VAL 27 H VAL 27 7.324 4.351 2.144 175 HA VAL 27 HA VAL 27 8.329 2.263 3.956 176 HB VAL 27 HB VAL 27 9.645 2.427 1.744 177 HG11 VAL 27 1HG1 VAL 27 11.299 4.230 1.600 178 HG12 VAL 27 2HG1 VAL 27 10.604 4.988 3.032 179 HG13 VAL 27 3HG1 VAL 27 9.653 4.862 1.550 180 HG21 VAL 27 1HG2 VAL 27 11.119 2.822 4.353 181 HG22 VAL 27 2HG2 VAL 27 11.818 2.175 2.870 182 HG23 VAL 27 3HG2 VAL 27 10.542 1.288 3.700 183 H ASP 28 H ASP 28 9.588 3.081 5.702 184 HA ASP 28 HA ASP 28 9.390 5.947 6.266 185 HB2 ASP 28 1HB ASP 28 8.778 4.554 8.141 186 HB3 ASP 28 2HB ASP 28 10.210 3.550 7.936 187 HA PRO 29 HA PRO 29 13.621 5.627 4.558 188 HB2 PRO 29 2HB PRO 29 13.671 7.972 3.252 189 HB3 PRO 29 1HB PRO 29 12.801 6.578 2.603 190 HG2 PRO 29 2HG PRO 29 11.735 8.994 4.001 191 HG3 PRO 29 1HG PRO 29 11.052 8.090 2.640 192 HD2 PRO 29 2HD PRO 29 10.275 7.824 5.306 193 HD3 PRO 29 1HD PRO 29 9.959 6.641 4.023 194 H GLU 30 H GLU 30 12.105 7.658 6.757 195 HA GLU 30 HA GLU 30 14.143 9.564 7.257 196 HB2 GLU 30 1HB GLU 30 11.923 8.635 9.099 197 HB3 GLU 30 2HB GLU 30 12.836 10.135 9.233 198 HG2 GLU 30 1HG GLU 30 11.927 10.805 7.001 199 HG3 GLU 30 2HG GLU 30 10.905 9.370 7.047 200 H LEU 31 H LEU 31 13.249 6.475 8.776 201 HA LEU 31 HA LEU 31 15.917 6.439 10.046 202 HB2 LEU 31 1HB LEU 31 13.361 5.072 10.898 203 HB3 LEU 31 2HB LEU 31 14.930 4.665 11.559 204 HG LEU 31 HG LEU 31 15.125 7.075 12.328 205 HD11 LEU 31 1HD1 LEU 31 13.476 8.104 10.900 206 HD12 LEU 31 2HD1 LEU 31 13.024 8.329 12.588 207 HD13 LEU 31 3HD1 LEU 31 12.195 7.119 11.606 208 HD21 LEU 31 1HD2 LEU 31 14.608 5.273 13.870 209 HD22 LEU 31 2HD2 LEU 31 12.893 5.391 13.472 210 HD23 LEU 31 3HD2 LEU 31 13.701 6.724 14.297 211 H GLY 32 H GLY 32 13.797 4.901 7.795 212 HA2 GLY 32 1HA GLY 32 14.696 3.659 5.989 213 HA3 GLY 32 2HA GLY 32 16.060 3.205 6.999 214 H ILE 33 H ILE 33 12.563 2.903 7.646 215 HA ILE 33 HA ILE 33 12.897 -0.049 7.649 216 HB ILE 33 HB ILE 33 10.989 1.518 9.413 217 HG12 ILE 33 1HG1 ILE 33 12.456 0.444 11.272 218 HG13 ILE 33 2HG1 ILE 33 13.666 0.262 10.007 219 HG21 ILE 33 1HG2 ILE 33 10.078 -0.634 8.804 220 HG22 ILE 33 2HG2 ILE 33 10.572 -0.665 10.496 221 HG23 ILE 33 3HG2 ILE 33 11.577 -1.439 9.271 222 HD11 ILE 33 1HD1 ILE 33 12.432 2.847 10.927 223 HD12 ILE 33 2HD1 ILE 33 13.622 2.679 9.638 224 HD13 ILE 33 3HD1 ILE 33 14.057 2.265 11.296 225 H ASN 34 H ASN 34 11.233 -1.228 6.623 226 HA ASN 34 HA ASN 34 9.362 0.462 5.080 227 HB2 ASN 34 1HB ASN 34 9.315 -1.261 3.373 228 HB3 ASN 34 2HB ASN 34 10.990 -0.834 3.705 229 HD21 ASN 34 1HD2 ASN 34 11.869 -3.991 4.964 230 HD22 ASN 34 2HD2 ASN 34 12.295 -2.319 4.833 231 H VAL 35 H VAL 35 7.190 -0.047 5.040 232 HA VAL 35 HA VAL 35 6.108 -1.154 7.377 233 HB VAL 35 HB VAL 35 4.691 -0.745 4.726 234 HG11 VAL 35 1HG1 VAL 35 2.659 -0.533 6.083 235 HG12 VAL 35 2HG1 VAL 35 3.592 -0.883 7.538 236 HG13 VAL 35 3HG1 VAL 35 3.406 -2.117 6.290 237 HG21 VAL 35 1HG2 VAL 35 5.840 1.301 5.471 238 HG22 VAL 35 2HG2 VAL 35 5.031 1.186 7.033 239 HG23 VAL 35 3HG2 VAL 35 4.086 1.471 5.570 240 H VAL 36 H VAL 36 6.920 -2.580 4.312 241 HA VAL 36 HA VAL 36 5.388 -4.923 4.413 242 HB VAL 36 HB VAL 36 8.130 -4.605 3.162 243 HG11 VAL 36 1HG1 VAL 36 7.412 -6.938 3.343 244 HG12 VAL 36 2HG1 VAL 36 7.428 -6.410 1.663 245 HG13 VAL 36 3HG1 VAL 36 5.898 -6.544 2.528 246 HG21 VAL 36 1HG2 VAL 36 5.397 -4.049 1.991 247 HG22 VAL 36 2HG2 VAL 36 6.911 -4.051 1.083 248 HG23 VAL 36 3HG2 VAL 36 6.645 -2.858 2.355 249 H ASP 37 H ASP 37 8.261 -3.969 6.127 250 HA ASP 37 HA ASP 37 9.330 -6.422 6.901 251 HB2 ASP 37 1HB ASP 37 9.206 -3.787 8.374 252 HB3 ASP 37 2HB ASP 37 10.020 -5.193 9.046 253 H LEU 38 H LEU 38 6.414 -4.809 7.999 254 HA LEU 38 HA LEU 38 6.055 -6.279 10.404 255 HB2 LEU 38 1HB LEU 38 4.142 -4.802 8.604 256 HB3 LEU 38 2HB LEU 38 3.569 -5.683 10.006 257 HG LEU 38 HG LEU 38 3.788 -3.327 10.540 258 HD11 LEU 38 1HD1 LEU 38 5.964 -4.925 11.890 259 HD12 LEU 38 2HD1 LEU 38 4.252 -4.945 12.315 260 HD13 LEU 38 3HD1 LEU 38 5.192 -3.467 12.519 261 HD21 LEU 38 1HD2 LEU 38 6.701 -3.609 9.792 262 HD22 LEU 38 2HD2 LEU 38 5.961 -2.191 10.535 263 HD23 LEU 38 3HD2 LEU 38 5.481 -2.688 8.914 264 H GLY 39 H GLY 39 5.841 -7.153 7.162 265 HA2 GLY 39 1HA GLY 39 5.435 -9.119 6.096 266 HA3 GLY 39 2HA GLY 39 5.633 -9.881 7.663 267 H LEU 40 H LEU 40 3.077 -7.584 7.455 268 HA LEU 40 HA LEU 40 1.108 -9.728 7.098 269 HB2 LEU 40 1HB LEU 40 0.784 -8.144 8.991 270 HB3 LEU 40 2HB LEU 40 0.630 -6.829 7.837 271 HG LEU 40 HG LEU 40 -1.388 -7.879 6.894 272 HD11 LEU 40 1HD1 LEU 40 -2.433 -9.790 8.058 273 HD12 LEU 40 2HD1 LEU 40 -0.981 -9.957 9.045 274 HD13 LEU 40 3HD1 LEU 40 -0.897 -10.209 7.303 275 HD21 LEU 40 1HD2 LEU 40 -2.887 -7.506 8.798 276 HD22 LEU 40 2HD2 LEU 40 -1.651 -6.254 8.686 277 HD23 LEU 40 3HD2 LEU 40 -1.501 -7.532 9.892 278 H VAL 41 H VAL 41 2.484 -6.954 5.584 279 HA VAL 41 HA VAL 41 0.523 -6.306 3.700 280 HB VAL 41 HB VAL 41 3.523 -6.037 3.347 281 HG11 VAL 41 1HG1 VAL 41 2.935 -4.099 1.928 282 HG12 VAL 41 2HG1 VAL 41 1.229 -4.512 2.103 283 HG13 VAL 41 3HG1 VAL 41 2.325 -5.622 1.282 284 HG21 VAL 41 1HG2 VAL 41 3.273 -3.791 4.328 285 HG22 VAL 41 2HG2 VAL 41 2.863 -5.064 5.477 286 HG23 VAL 41 3HG2 VAL 41 1.581 -4.143 4.688 287 H TYR 42 H TYR 42 2.446 -9.083 3.930 288 HA TYR 42 HA TYR 42 2.813 -9.824 1.252 289 HB2 TYR 42 2HB TYR 42 3.905 -11.057 3.041 290 HB3 TYR 42 1HB TYR 42 2.351 -11.536 3.715 291 HD1 TYR 42 1HD TYR 42 1.369 -13.567 3.059 292 HD2 TYR 42 2HD TYR 42 4.462 -11.894 0.652 293 HE1 TYR 42 1HE TYR 42 1.387 -15.599 1.678 294 HE2 TYR 42 2HE TYR 42 4.486 -13.926 -0.732 295 HH TYR 42 HH TYR 42 2.030 -16.316 -0.533 296 H GLY 43 H GLY 43 0.007 -9.672 3.245 297 HA2 GLY 43 1HA GLY 43 -1.664 -11.345 1.605 298 HA3 GLY 43 2HA GLY 43 -2.189 -10.281 2.901 299 H LEU 44 H LEU 44 -0.431 -9.639 -0.122 300 HA LEU 44 HA LEU 44 -2.565 -7.769 -0.871 301 HB2 LEU 44 1HB LEU 44 -0.874 -6.696 -2.342 302 HB3 LEU 44 2HB LEU 44 -0.495 -6.603 -0.637 303 HG LEU 44 HG LEU 44 1.042 -8.671 -1.118 304 HD11 LEU 44 1HD1 LEU 44 0.292 -9.117 -3.384 305 HD12 LEU 44 2HD1 LEU 44 2.002 -8.693 -3.369 306 HD13 LEU 44 3HD1 LEU 44 0.802 -7.508 -3.891 307 HD21 LEU 44 1HD2 LEU 44 1.857 -6.476 -0.432 308 HD22 LEU 44 2HD2 LEU 44 1.765 -5.908 -2.099 309 HD23 LEU 44 3HD2 LEU 44 2.905 -7.182 -1.663 310 H ASP 45 H ASP 45 -3.611 -8.018 -2.749 311 HA ASP 45 HA ASP 45 -2.699 -9.794 -4.823 312 HB2 ASP 45 1HB ASP 45 -3.710 -11.411 -3.275 313 HB3 ASP 45 2HB ASP 45 -5.192 -10.462 -3.223 314 H VAL 46 H VAL 46 -3.079 -8.589 -6.551 315 HA VAL 46 HA VAL 46 -5.352 -6.767 -6.609 316 HB VAL 46 HB VAL 46 -3.257 -5.831 -7.385 317 HG11 VAL 46 1HG1 VAL 46 -3.210 -8.028 -9.454 318 HG12 VAL 46 2HG1 VAL 46 -2.132 -7.882 -8.065 319 HG13 VAL 46 3HG1 VAL 46 -2.080 -6.678 -9.353 320 HG21 VAL 46 1HG2 VAL 46 -5.146 -6.311 -9.695 321 HG22 VAL 46 2HG2 VAL 46 -3.926 -5.041 -9.615 322 HG23 VAL 46 3HG2 VAL 46 -5.278 -5.037 -8.484 323 H GLN 47 H GLN 47 -7.210 -7.241 -7.600 324 HA GLN 47 HA GLN 47 -7.235 -9.472 -9.530 325 HB2 GLN 47 1HB GLN 47 -9.342 -10.246 -8.644 326 HB3 GLN 47 2HB GLN 47 -8.177 -10.154 -7.331 327 HG2 GLN 47 1HG GLN 47 -9.173 -8.027 -6.608 328 HG3 GLN 47 2HG GLN 47 -10.352 -8.146 -7.915 329 HE21 GLN 47 1HE2 GLN 47 -12.471 -9.585 -5.555 330 HE22 GLN 47 2HE2 GLN 47 -12.122 -8.226 -6.567 331 H ASP 48 H ASP 48 -8.832 -9.369 -11.142 332 HA ASP 48 HA ASP 48 -9.420 -6.685 -12.016 333 HB2 ASP 48 1HB ASP 48 -10.338 -7.830 -14.034 334 HB3 ASP 48 2HB ASP 48 -8.674 -8.281 -13.676 335 H GLY 49 H GLY 49 -11.480 -5.894 -12.497 336 HA2 GLY 49 1HA GLY 49 -13.879 -7.311 -11.877 337 HA3 GLY 49 2HA GLY 49 -13.462 -6.150 -10.618 338 H ASP 50 H ASP 50 -15.795 -5.958 -12.196 339 HA ASP 50 HA ASP 50 -15.360 -4.111 -14.346 340 HB2 ASP 50 1HB ASP 50 -17.852 -5.056 -12.930 341 HB3 ASP 50 2HB ASP 50 -17.900 -3.826 -14.192 342 H GLU 51 H GLU 51 -15.803 -3.822 -10.929 343 HA GLU 51 HA GLU 51 -16.369 -1.022 -10.907 344 HB2 GLU 51 1HB GLU 51 -15.692 -1.078 -8.556 345 HB3 GLU 51 2HB GLU 51 -16.758 -2.429 -8.919 346 HG2 GLU 51 1HG GLU 51 -14.855 -3.942 -9.003 347 HG3 GLU 51 2HG GLU 51 -13.750 -2.595 -8.729 348 H GLY 52 H GLY 52 -13.645 -2.939 -11.555 349 HA2 GLY 52 1HA GLY 52 -11.914 -1.523 -12.801 350 HA3 GLY 52 2HA GLY 52 -11.754 -0.705 -11.248 351 H THR 53 H THR 53 -9.612 -2.040 -12.532 352 HA THR 53 HA THR 53 -9.160 -4.563 -11.274 353 HB THR 53 HB THR 53 -7.067 -2.602 -12.260 354 HG1 THR 53 1HG THR 53 -8.800 -3.290 -13.803 355 HG21 THR 53 1HG2 THR 53 -7.006 -5.609 -11.921 356 HG22 THR 53 2HG2 THR 53 -6.156 -4.436 -10.915 357 HG23 THR 53 3HG2 THR 53 -5.709 -4.630 -12.609 358 H VAL 54 H VAL 54 -9.092 -4.744 -9.123 359 HA VAL 54 HA VAL 54 -8.264 -2.386 -7.562 360 HB VAL 54 HB VAL 54 -10.610 -2.976 -7.245 361 HG11 VAL 54 1HG1 VAL 54 -11.292 -5.083 -6.214 362 HG12 VAL 54 2HG1 VAL 54 -9.622 -5.652 -6.251 363 HG13 VAL 54 3HG1 VAL 54 -10.488 -5.362 -7.760 364 HG21 VAL 54 1HG2 VAL 54 -10.632 -3.141 -4.793 365 HG22 VAL 54 2HG2 VAL 54 -9.408 -2.005 -5.356 366 HG23 VAL 54 3HG2 VAL 54 -8.933 -3.613 -4.811 367 H ALA 55 H ALA 55 -6.590 -2.500 -6.248 368 HA ALA 55 HA ALA 55 -5.198 -5.058 -5.921 369 HB1 ALA 55 1HB ALA 55 -3.900 -3.098 -6.625 370 HB2 ALA 55 2HB ALA 55 -3.342 -3.716 -5.069 371 HB3 ALA 55 3HB ALA 55 -4.344 -2.264 -5.133 372 H LEU 56 H LEU 56 -6.067 -6.251 -4.301 373 HA LEU 56 HA LEU 56 -7.068 -5.073 -1.857 374 HB2 LEU 56 1HB LEU 56 -6.462 -7.992 -2.401 375 HB3 LEU 56 2HB LEU 56 -7.513 -7.345 -1.156 376 HG LEU 56 HG LEU 56 -8.047 -7.232 -4.132 377 HD11 LEU 56 1HD1 LEU 56 -8.226 -9.497 -3.257 378 HD12 LEU 56 2HD1 LEU 56 -9.816 -8.857 -3.671 379 HD13 LEU 56 3HD1 LEU 56 -9.311 -8.937 -1.980 380 HD21 LEU 56 1HD2 LEU 56 -10.285 -6.447 -3.476 381 HD22 LEU 56 2HD2 LEU 56 -9.016 -5.322 -2.997 382 HD23 LEU 56 3HD2 LEU 56 -9.758 -6.378 -1.794 383 H ILE 57 H ILE 57 -5.867 -4.689 -0.028 384 HA ILE 57 HA ILE 57 -3.323 -6.115 0.315 385 HB ILE 57 HB ILE 57 -3.517 -3.100 0.588 386 HG12 ILE 57 1HG1 ILE 57 -2.152 -4.746 -1.571 387 HG13 ILE 57 2HG1 ILE 57 -3.591 -3.756 -1.792 388 HG21 ILE 57 1HG2 ILE 57 -1.094 -3.192 0.919 389 HG22 ILE 57 2HG2 ILE 57 -1.125 -4.948 0.753 390 HG23 ILE 57 3HG2 ILE 57 -1.924 -4.179 2.123 391 HD11 ILE 57 1HD1 ILE 57 -1.627 -2.637 -2.650 392 HD12 ILE 57 2HD1 ILE 57 -0.841 -2.760 -1.077 393 HD13 ILE 57 3HD1 ILE 57 -2.280 -1.756 -1.270 394 H ASP 58 H ASP 58 -3.468 -7.052 2.233 395 HA ASP 58 HA ASP 58 -4.993 -5.868 4.408 396 HB2 ASP 58 1HB ASP 58 -3.456 -8.470 4.129 397 HB3 ASP 58 2HB ASP 58 -4.187 -7.956 5.651 398 H MET 59 H MET 59 -4.133 -4.572 5.929 399 HA MET 59 HA MET 59 -1.218 -4.540 6.306 400 HB2 MET 59 1HB MET 59 -2.933 -2.112 5.733 401 HB3 MET 59 2HB MET 59 -1.267 -2.042 6.288 402 HG2 MET 59 1HG MET 59 -0.552 -3.212 4.250 403 HG3 MET 59 2HG MET 59 -2.226 -3.237 3.696 404 HE1 MET 59 1HE MET 59 0.236 0.633 4.262 405 HE2 MET 59 2HE MET 59 0.867 -0.985 4.572 406 HE3 MET 59 3HE MET 59 -0.385 -0.309 5.618 407 H THR 60 H THR 60 -0.606 -3.075 8.140 408 HA THR 60 HA THR 60 -2.537 -2.491 10.167 409 HB THR 60 HB THR 60 -2.238 -4.931 10.553 410 HG1 THR 60 1HG THR 60 -2.650 -4.026 12.461 411 HG21 THR 60 1HG2 THR 60 0.660 -4.218 11.065 412 HG22 THR 60 2HG2 THR 60 0.057 -5.168 9.707 413 HG23 THR 60 3HG2 THR 60 -0.082 -5.793 11.350 414 H LEU 61 H LEU 61 -1.638 -1.142 11.783 415 HA LEU 61 HA LEU 61 1.046 -0.120 11.186 416 HB2 LEU 61 1HB LEU 61 -1.177 0.984 12.925 417 HB3 LEU 61 2HB LEU 61 0.414 1.707 12.803 418 HG LEU 61 HG LEU 61 -1.044 2.978 11.408 419 HD11 LEU 61 1HD1 LEU 61 0.602 1.146 9.660 420 HD12 LEU 61 2HD1 LEU 61 1.161 2.614 10.466 421 HD13 LEU 61 3HD1 LEU 61 -0.050 2.716 9.185 422 HD21 LEU 61 1HD2 LEU 61 -2.376 2.020 9.588 423 HD22 LEU 61 2HD2 LEU 61 -2.864 1.376 11.156 424 HD23 LEU 61 3HD2 LEU 61 -1.875 0.398 10.072 425 H THR 62 H THR 62 2.622 0.055 12.873 426 HA THR 62 HA THR 62 3.083 -2.295 14.185 427 HB THR 62 HB THR 62 4.888 -0.754 13.803 428 HG1 THR 62 1HG THR 62 5.847 -0.781 15.936 429 HG21 THR 62 1HG2 THR 62 5.172 1.307 15.117 430 HG22 THR 62 2HG2 THR 62 3.590 1.050 15.853 431 HG23 THR 62 3HG2 THR 62 3.716 1.363 14.122 432 H SER 63 H SER 63 1.715 0.646 15.687 433 HA SER 63 HA SER 63 1.342 -0.739 18.213 434 HB2 SER 63 1HB SER 63 2.074 1.643 18.133 435 HB3 SER 63 2HB SER 63 0.528 2.073 17.404 436 HG SER 63 HG SER 63 0.709 0.727 19.889 437 H ALA 64 H ALA 64 -0.351 -0.418 15.350 438 HA ALA 64 HA ALA 64 -2.464 -0.775 14.624 439 HB1 ALA 64 1HB ALA 64 -2.783 -2.214 17.260 440 HB2 ALA 64 2HB ALA 64 -2.150 -2.913 15.769 441 HB3 ALA 64 3HB ALA 64 -3.830 -2.380 15.850 442 H ALA 65 H ALA 65 -1.824 1.394 16.866 443 HA ALA 65 HA ALA 65 -4.627 2.273 17.137 444 HB1 ALA 65 1HB ALA 65 -3.973 3.435 19.187 445 HB2 ALA 65 2HB ALA 65 -2.315 2.859 19.000 446 HB3 ALA 65 3HB ALA 65 -3.619 1.711 19.308 447 H CYS 66 H CYS 66 -2.042 2.722 15.336 448 HA CYS 66 HA CYS 66 -1.641 5.568 15.535 449 HB2 CYS 66 2HB CYS 66 -0.656 3.681 13.384 450 HB3 CYS 66 1HB CYS 66 -0.001 5.262 13.800 451 HG CYS 66 HG CYS 66 1.013 4.485 16.263 452 HA PRO 67 HA PRO 67 -4.990 6.419 12.669 453 HB2 PRO 67 2HB PRO 67 -4.790 9.098 12.652 454 HB3 PRO 67 1HB PRO 67 -5.366 8.230 14.080 455 HG2 PRO 67 2HG PRO 67 -2.635 9.332 13.514 456 HG3 PRO 67 1HG PRO 67 -3.598 9.448 15.000 457 HD2 PRO 67 2HD PRO 67 -1.603 7.615 14.656 458 HD3 PRO 67 1HD PRO 67 -3.012 7.334 15.697 459 H LEU 68 H LEU 68 -2.320 5.682 11.643 460 HA LEU 68 HA LEU 68 -1.639 7.619 9.604 461 HB2 LEU 68 1HB LEU 68 -0.546 4.845 10.113 462 HB3 LEU 68 2HB LEU 68 0.131 6.020 9.000 463 HG LEU 68 HG LEU 68 -0.005 6.300 12.010 464 HD11 LEU 68 1HD1 LEU 68 2.350 5.848 10.178 465 HD12 LEU 68 2HD1 LEU 68 1.650 4.664 11.284 466 HD13 LEU 68 3HD1 LEU 68 2.428 6.113 11.922 467 HD21 LEU 68 1HD2 LEU 68 -0.241 8.470 10.950 468 HD22 LEU 68 2HD2 LEU 68 1.166 8.156 9.932 469 HD23 LEU 68 3HD2 LEU 68 1.358 8.323 11.678 470 H THR 69 H THR 69 -4.122 5.631 9.826 471 HA THR 69 HA THR 69 -4.130 3.990 7.585 472 HB THR 69 HB THR 69 -5.827 3.821 9.332 473 HG1 THR 69 1HG THR 69 -7.535 4.389 7.264 474 HG21 THR 69 1HG2 THR 69 -7.711 5.403 9.440 475 HG22 THR 69 2HG2 THR 69 -6.923 6.418 8.233 476 HG23 THR 69 3HG2 THR 69 -6.178 6.192 9.814 477 H ASP 70 H ASP 70 -5.091 7.393 7.896 478 HA ASP 70 HA ASP 70 -5.995 7.778 5.259 479 HB2 ASP 70 1HB ASP 70 -6.444 9.382 7.068 480 HB3 ASP 70 2HB ASP 70 -4.728 9.759 7.179 481 H VAL 71 H VAL 71 -2.826 8.045 6.745 482 HA VAL 71 HA VAL 71 -1.457 9.188 4.565 483 HB VAL 71 HB VAL 71 -0.314 7.441 6.763 484 HG11 VAL 71 1HG1 VAL 71 1.247 7.731 4.919 485 HG12 VAL 71 2HG1 VAL 71 1.787 8.655 6.321 486 HG13 VAL 71 3HG1 VAL 71 1.014 9.480 4.965 487 HG21 VAL 71 1HG2 VAL 71 0.137 9.527 7.963 488 HG22 VAL 71 2HG2 VAL 71 -1.591 9.321 7.683 489 HG23 VAL 71 3HG2 VAL 71 -0.665 10.444 6.688 490 H ILE 72 H ILE 72 -1.842 5.791 5.601 491 HA ILE 72 HA ILE 72 -0.216 4.753 3.515 492 HB ILE 72 HB ILE 72 -1.027 2.552 4.093 493 HG12 ILE 72 1HG1 ILE 72 -2.927 3.965 5.986 494 HG13 ILE 72 2HG1 ILE 72 -3.396 3.128 4.508 495 HG21 ILE 72 1HG2 ILE 72 -0.267 2.502 6.423 496 HG22 ILE 72 2HG2 ILE 72 -0.448 4.254 6.523 497 HG23 ILE 72 3HG2 ILE 72 0.749 3.551 5.435 498 HD11 ILE 72 1HD1 ILE 72 -3.816 1.735 6.417 499 HD12 ILE 72 2HD1 ILE 72 -2.138 1.900 6.939 500 HD13 ILE 72 3HD1 ILE 72 -2.515 1.044 5.444 501 H GLU 73 H GLU 73 -3.715 5.236 3.854 502 HA GLU 73 HA GLU 73 -4.505 4.054 1.438 503 HB2 GLU 73 1HB GLU 73 -5.662 6.285 3.091 504 HB3 GLU 73 2HB GLU 73 -6.361 5.908 1.521 505 HG2 GLU 73 1HG GLU 73 -6.713 3.585 2.267 506 HG3 GLU 73 2HG GLU 73 -6.102 4.021 3.861 507 H ASP 74 H ASP 74 -3.537 7.418 2.085 508 HA ASP 74 HA ASP 74 -3.848 8.338 -0.551 509 HB2 ASP 74 1HB ASP 74 -3.642 9.928 1.256 510 HB3 ASP 74 2HB ASP 74 -2.034 9.333 1.662 511 H GLN 75 H GLN 75 -0.933 7.188 1.137 512 HA GLN 75 HA GLN 75 0.828 7.637 -1.009 513 HB2 GLN 75 1HB GLN 75 1.029 5.834 1.406 514 HB3 GLN 75 2HB GLN 75 2.347 6.040 0.257 515 HG2 GLN 75 1HG GLN 75 2.481 8.387 0.741 516 HG3 GLN 75 2HG GLN 75 1.048 8.302 1.762 517 HE21 GLN 75 1HE2 GLN 75 3.163 6.168 4.070 518 HE22 GLN 75 2HE2 GLN 75 1.878 5.775 2.990 519 H SER 76 H SER 76 -1.060 4.769 -0.123 520 HA SER 76 HA SER 76 0.108 3.055 -2.066 521 HB2 SER 76 1HB SER 76 -1.927 1.646 -1.698 522 HB3 SER 76 2HB SER 76 -1.130 2.110 -0.194 523 HG SER 76 HG SER 76 -2.851 3.174 0.368 524 H ARG 77 H ARG 77 -3.010 4.801 -2.017 525 HA ARG 77 HA ARG 77 -3.788 4.277 -4.631 526 HB2 ARG 77 1HB ARG 77 -5.276 5.305 -2.993 527 HB3 ARG 77 2HB ARG 77 -4.292 6.760 -2.962 528 HG2 ARG 77 1HG ARG 77 -5.393 5.949 -5.599 529 HG3 ARG 77 2HG ARG 77 -6.543 6.533 -4.399 530 HD2 ARG 77 1HD ARG 77 -4.048 8.044 -5.184 531 HD3 ARG 77 2HD ARG 77 -5.617 8.289 -5.949 532 HE ARG 77 HE ARG 77 -6.467 9.020 -3.791 533 HH11 ARG 77 1HH1 ARG 77 -2.971 8.931 -4.136 534 HH12 ARG 77 2HH1 ARG 77 -2.696 10.075 -2.866 535 HH21 ARG 77 1HH2 ARG 77 -6.087 10.534 -2.126 536 HH22 ARG 77 2HH2 ARG 77 -4.451 10.983 -1.730 537 H SER 78 H SER 78 -1.646 6.809 -3.421 538 HA SER 78 HA SER 78 -1.477 8.403 -5.681 539 HB2 SER 78 1HB SER 78 0.614 7.838 -3.564 540 HB3 SER 78 2HB SER 78 0.756 9.113 -4.775 541 HG SER 78 HG SER 78 -0.428 9.286 -2.457 542 H ALA 79 H ALA 79 0.681 5.676 -4.788 543 HA ALA 79 HA ALA 79 2.170 5.925 -7.232 544 HB1 ALA 79 1HB ALA 79 3.193 5.060 -5.176 545 HB2 ALA 79 2HB ALA 79 3.326 3.905 -6.504 546 HB3 ALA 79 3HB ALA 79 2.126 3.657 -5.235 547 H LEU 80 H LEU 80 -0.210 3.558 -6.006 548 HA LEU 80 HA LEU 80 -0.028 1.781 -8.162 549 HB2 LEU 80 1HB LEU 80 -2.104 2.279 -6.060 550 HB3 LEU 80 2HB LEU 80 -2.467 1.180 -7.375 551 HG LEU 80 HG LEU 80 -1.691 -0.043 -5.410 552 HD11 LEU 80 1HD1 LEU 80 -1.211 -0.982 -7.606 553 HD12 LEU 80 2HD1 LEU 80 0.074 -1.370 -6.463 554 HD13 LEU 80 3HD1 LEU 80 0.316 -0.102 -7.663 555 HD21 LEU 80 1HD2 LEU 80 0.613 0.160 -4.608 556 HD22 LEU 80 2HD2 LEU 80 -0.272 1.668 -4.398 557 HD23 LEU 80 3HD2 LEU 80 0.887 1.505 -5.716 558 H VAL 81 H VAL 81 -2.109 4.577 -7.689 559 HA VAL 81 HA VAL 81 -3.423 4.225 -10.243 560 HB VAL 81 HB VAL 81 -3.494 6.569 -8.320 561 HG11 VAL 81 1HG1 VAL 81 -5.484 7.285 -9.581 562 HG12 VAL 81 2HG1 VAL 81 -5.218 5.980 -10.735 563 HG13 VAL 81 3HG1 VAL 81 -4.038 7.282 -10.588 564 HG21 VAL 81 1HG2 VAL 81 -5.709 5.701 -7.693 565 HG22 VAL 81 2HG2 VAL 81 -4.432 4.536 -7.346 566 HG23 VAL 81 3HG2 VAL 81 -5.466 4.315 -8.758 567 H GLY 82 H GLY 82 -0.562 5.750 -9.020 568 HA2 GLY 82 1HA GLY 82 -0.383 7.988 -10.723 569 HA3 GLY 82 2HA GLY 82 0.967 7.206 -9.916 570 H SER 83 H SER 83 1.048 4.738 -11.050 571 HA SER 83 HA SER 83 1.858 5.332 -13.781 572 HB2 SER 83 1HB SER 83 2.087 2.777 -12.164 573 HB3 SER 83 2HB SER 83 2.811 3.052 -13.750 574 HG SER 83 HG SER 83 3.886 3.576 -11.442 575 H GLY 84 H GLY 84 -0.953 4.436 -12.298 576 HA2 GLY 84 1HA GLY 84 -2.987 3.791 -13.143 577 HA3 GLY 84 2HA GLY 84 -2.275 3.869 -14.747 578 H LEU 85 H LEU 85 -1.025 1.836 -12.167 579 HA LEU 85 HA LEU 85 -1.168 -0.481 -13.837 580 HB2 LEU 85 1HB LEU 85 -0.514 -0.227 -10.894 581 HB3 LEU 85 2HB LEU 85 -0.328 -1.695 -11.836 582 HG LEU 85 HG LEU 85 1.211 0.883 -12.192 583 HD11 LEU 85 1HD1 LEU 85 2.097 -1.873 -11.339 584 HD12 LEU 85 2HD1 LEU 85 1.918 -0.470 -10.286 585 HD13 LEU 85 3HD1 LEU 85 3.141 -0.467 -11.555 586 HD21 LEU 85 1HD2 LEU 85 1.354 -1.668 -13.812 587 HD22 LEU 85 2HD2 LEU 85 2.474 -0.312 -13.938 588 HD23 LEU 85 3HD2 LEU 85 0.781 -0.099 -14.379 589 H VAL 86 H VAL 86 -3.007 0.748 -11.104 590 HA VAL 86 HA VAL 86 -5.068 -1.288 -11.646 591 HB VAL 86 HB VAL 86 -5.621 -1.435 -9.288 592 HG11 VAL 86 1HG1 VAL 86 -3.636 -2.575 -8.423 593 HG12 VAL 86 2HG1 VAL 86 -2.654 -1.838 -9.691 594 HG13 VAL 86 3HG1 VAL 86 -3.925 -2.986 -10.114 595 HG21 VAL 86 1HG2 VAL 86 -5.083 0.822 -8.579 596 HG22 VAL 86 2HG2 VAL 86 -3.363 0.519 -8.824 597 HG23 VAL 86 3HG2 VAL 86 -4.238 -0.343 -7.558 598 H ASP 87 H ASP 87 -7.237 -0.609 -11.046 599 HA ASP 87 HA ASP 87 -7.691 2.184 -11.688 600 HB2 ASP 87 1HB ASP 87 -9.627 -0.095 -11.176 601 HB3 ASP 87 2HB ASP 87 -10.109 1.531 -11.648 602 H ASP 88 H ASP 88 -7.815 0.075 -8.906 603 HA ASP 88 HA ASP 88 -8.212 2.313 -7.121 604 HB2 ASP 88 1HB ASP 88 -10.538 1.376 -8.018 605 HB3 ASP 88 2HB ASP 88 -10.254 0.128 -6.812 606 H ILE 89 H ILE 89 -8.195 1.530 -4.783 607 HA ILE 89 HA ILE 89 -6.761 -1.033 -4.519 608 HB ILE 89 HB ILE 89 -5.148 -0.195 -3.017 609 HG12 ILE 89 1HG1 ILE 89 -6.593 1.325 -1.700 610 HG13 ILE 89 2HG1 ILE 89 -5.058 2.072 -2.115 611 HG21 ILE 89 1HG2 ILE 89 -4.584 0.263 -5.327 612 HG22 ILE 89 2HG2 ILE 89 -3.940 1.529 -4.282 613 HG23 ILE 89 3HG2 ILE 89 -5.389 1.831 -5.241 614 HD11 ILE 89 1HD1 ILE 89 -6.198 3.303 -3.931 615 HD12 ILE 89 2HD1 ILE 89 -6.817 3.675 -2.320 616 HD13 ILE 89 3HD1 ILE 89 -7.729 2.612 -3.389 617 H ARG 90 H ARG 90 -7.166 -2.177 -2.630 618 HA ARG 90 HA ARG 90 -9.318 -1.100 -0.921 619 HB2 ARG 90 1HB ARG 90 -9.855 -2.938 -2.765 620 HB3 ARG 90 2HB ARG 90 -9.171 -4.027 -1.570 621 HG2 ARG 90 1HG ARG 90 -11.535 -4.024 -1.303 622 HG3 ARG 90 2HG ARG 90 -10.836 -3.165 0.073 623 HD2 ARG 90 1HD ARG 90 -12.768 -1.949 -0.726 624 HD3 ARG 90 2HD ARG 90 -11.312 -1.017 -1.069 625 HE ARG 90 HE ARG 90 -12.655 -2.659 -3.132 626 HH11 ARG 90 1HH1 ARG 90 -11.193 0.345 -2.088 627 HH12 ARG 90 2HH1 ARG 90 -11.394 1.129 -3.619 628 HH21 ARG 90 1HH2 ARG 90 -12.954 -1.612 -5.158 629 HH22 ARG 90 2HH2 ARG 90 -12.431 0.033 -5.346 630 H ILE 91 H ILE 91 -8.311 -0.774 0.965 631 HA ILE 91 HA ILE 91 -6.236 -2.651 1.849 632 HB ILE 91 HB ILE 91 -6.922 0.104 2.918 633 HG12 ILE 91 1HG1 ILE 91 -4.635 -0.815 1.143 634 HG13 ILE 91 2HG1 ILE 91 -5.994 0.187 0.639 635 HG21 ILE 91 1HG2 ILE 91 -4.807 -0.068 4.156 636 HG22 ILE 91 2HG2 ILE 91 -4.590 -1.713 3.562 637 HG23 ILE 91 3HG2 ILE 91 -5.937 -1.334 4.635 638 HD11 ILE 91 1HD1 ILE 91 -4.012 1.527 0.980 639 HD12 ILE 91 2HD1 ILE 91 -3.874 0.943 2.639 640 HD13 ILE 91 3HD1 ILE 91 -5.247 1.947 2.167 641 H ASN 92 H ASN 92 -6.346 -3.718 3.768 642 HA ASN 92 HA ASN 92 -8.844 -3.509 5.349 643 HB2 ASN 92 1HB ASN 92 -8.345 -5.698 4.069 644 HB3 ASN 92 2HB ASN 92 -7.038 -5.937 5.214 645 HD21 ASN 92 1HD2 ASN 92 -9.715 -6.056 7.893 646 HD22 ASN 92 2HD2 ASN 92 -8.535 -4.865 7.509 647 H TRP 93 H TRP 93 -8.503 -2.686 7.353 648 HA TRP 93 HA TRP 93 -5.720 -2.526 8.298 649 HB2 TRP 93 2HB TRP 93 -8.157 -1.084 9.370 650 HB3 TRP 93 1HB TRP 93 -6.469 -0.732 9.736 651 HD1 TRP 93 1HD TRP 93 -5.010 0.402 7.711 652 HE1 TRP 93 1HE TRP 93 -5.767 1.891 5.752 653 HE3 TRP 93 3HE TRP 93 -10.012 -0.633 7.788 654 HZ2 TRP 93 2HZ TRP 93 -8.160 2.536 4.418 655 HZ3 TRP 93 3HZ TRP 93 -11.469 0.464 6.140 656 HH2 TRP 93 2HH TRP 93 -10.560 2.018 4.489 657 H VAL 94 H VAL 94 -5.187 -4.248 9.495 658 HA VAL 94 HA VAL 94 -7.222 -5.556 11.133 659 HB VAL 94 HB VAL 94 -4.326 -6.365 10.860 660 HG11 VAL 94 1HG1 VAL 94 -5.153 -8.600 11.410 661 HG12 VAL 94 2HG1 VAL 94 -6.793 -7.963 11.551 662 HG13 VAL 94 3HG1 VAL 94 -5.543 -7.437 12.679 663 HG21 VAL 94 1HG2 VAL 94 -5.271 -6.166 8.613 664 HG22 VAL 94 2HG2 VAL 94 -6.623 -7.197 9.080 665 HG23 VAL 94 3HG2 VAL 94 -4.986 -7.853 9.034 666 H TRP 95 H TRP 95 -7.483 -5.042 13.175 667 HA TRP 95 HA TRP 95 -5.196 -4.027 14.745 668 HB2 TRP 95 2HB TRP 95 -8.132 -3.522 15.300 669 HB3 TRP 95 1HB TRP 95 -6.751 -2.762 16.088 670 HD1 TRP 95 1HD TRP 95 -5.093 -1.448 14.014 671 HE1 TRP 95 1HE TRP 95 -5.988 0.277 12.334 672 HE3 TRP 95 3HE TRP 95 -10.058 -2.659 14.164 673 HZ2 TRP 95 2HZ TRP 95 -8.463 1.032 11.213 674 HZ3 TRP 95 3HZ TRP 95 -11.624 -1.385 12.754 675 HH2 TRP 95 2HH TRP 95 -10.842 0.423 11.310 676 H ASN 96 H ASN 96 -7.636 -6.378 14.366 677 HA ASN 96 HA ASN 96 -6.836 -8.179 16.290 678 HB2 ASN 96 1HB ASN 96 -7.472 -6.483 17.973 679 HB3 ASN 96 2HB ASN 96 -9.105 -6.438 17.321 680 HD21 ASN 96 1HD2 ASN 96 -9.904 -8.664 19.876 681 HD22 ASN 96 2HD2 ASN 96 -10.058 -7.071 19.217 682 HA PRO 97 HA PRO 97 -11.326 -9.270 14.763 683 HB2 PRO 97 2HB PRO 97 -12.440 -7.584 12.925 684 HB3 PRO 97 1HB PRO 97 -12.714 -7.431 14.665 685 HG2 PRO 97 2HG PRO 97 -10.790 -5.935 12.914 686 HG3 PRO 97 1HG PRO 97 -11.870 -5.310 14.178 687 HD2 PRO 97 2HD PRO 97 -9.252 -5.732 14.637 688 HD3 PRO 97 1HD PRO 97 -10.474 -6.006 15.895 689 HA PRO 98 HA PRO 98 -9.470 -11.109 11.131 690 HB2 PRO 98 2HB PRO 98 -12.177 -12.205 10.598 691 HB3 PRO 98 1HB PRO 98 -10.650 -13.054 10.864 692 HG2 PRO 98 2HG PRO 98 -12.562 -13.040 12.735 693 HG3 PRO 98 1HG PRO 98 -10.844 -12.956 13.174 694 HD2 PRO 98 2HD PRO 98 -12.876 -10.748 13.043 695 HD3 PRO 98 1HD PRO 98 -11.626 -11.057 14.268 696 H TRP 99 H TRP 99 -9.900 -11.318 8.762 697 HA TRP 99 HA TRP 99 -10.491 -8.745 7.714 698 HB2 TRP 99 2HB TRP 99 -10.056 -11.325 6.183 699 HB3 TRP 99 1HB TRP 99 -9.882 -9.687 5.559 700 HD1 TRP 99 1HD TRP 99 -8.139 -8.470 7.950 701 HE1 TRP 99 1HE TRP 99 -5.683 -9.190 8.204 702 HE3 TRP 99 3HE TRP 99 -8.288 -12.875 5.347 703 HZ2 TRP 99 2HZ TRP 99 -4.026 -11.325 7.424 704 HZ3 TRP 99 3HZ TRP 99 -6.220 -14.193 5.146 705 HH2 TRP 99 2HH TRP 99 -4.132 -13.435 6.160 706 H GLY 100 H GLY 100 -11.942 -8.420 5.811 707 HA2 GLY 100 1HA GLY 100 -13.983 -9.843 4.856 708 HA3 GLY 100 2HA GLY 100 -14.596 -9.434 6.453 709 HA PRO 101 HA PRO 101 -16.243 -5.989 4.033 710 HB2 PRO 101 2HB PRO 101 -17.684 -4.887 6.095 711 HB3 PRO 101 1HB PRO 101 -18.251 -6.248 5.121 712 HG2 PRO 101 2HG PRO 101 -16.932 -6.266 7.815 713 HG3 PRO 101 1HG PRO 101 -18.336 -7.194 7.251 714 HD2 PRO 101 2HD PRO 101 -15.892 -8.304 7.399 715 HD3 PRO 101 1HD PRO 101 -17.019 -8.724 6.092 716 H ASP 102 H ASP 102 -14.129 -5.969 6.690 717 HA ASP 102 HA ASP 102 -13.888 -3.213 7.212 718 HB2 ASP 102 1HB ASP 102 -12.950 -4.993 8.676 719 HB3 ASP 102 2HB ASP 102 -11.737 -5.340 7.448 720 H LYS 103 H LYS 103 -13.027 -5.046 4.481 721 HA LYS 103 HA LYS 103 -10.806 -3.441 3.637 722 HB2 LYS 103 1HB LYS 103 -12.476 -5.557 2.283 723 HB3 LYS 103 2HB LYS 103 -11.287 -4.625 1.383 724 HG2 LYS 103 1HG LYS 103 -9.556 -5.388 3.013 725 HG3 LYS 103 2HG LYS 103 -10.772 -6.441 3.734 726 HD2 LYS 103 1HD LYS 103 -10.925 -7.772 1.788 727 HD3 LYS 103 2HD LYS 103 -10.092 -6.570 0.801 728 HE2 LYS 103 1HE LYS 103 -8.628 -8.465 1.290 729 HE3 LYS 103 2HE LYS 103 -8.014 -6.989 2.027 730 HZ1 LYS 103 1HZ LYS 103 -7.821 -8.800 3.564 731 HZ2 LYS 103 2HZ LYS 103 -9.461 -9.182 3.406 732 HZ3 LYS 103 3HZ LYS 103 -9.000 -7.735 4.144 733 H ILE 104 H ILE 104 -14.145 -2.932 3.692 734 HA ILE 104 HA ILE 104 -14.378 -1.289 1.370 735 HB ILE 104 HB ILE 104 -16.009 -1.247 3.929 736 HG12 ILE 104 1HG1 ILE 104 -16.582 -2.559 1.251 737 HG13 ILE 104 2HG1 ILE 104 -16.084 -3.406 2.712 738 HG21 ILE 104 1HG2 ILE 104 -16.600 0.009 1.239 739 HG22 ILE 104 2HG2 ILE 104 -16.221 0.867 2.734 740 HG23 ILE 104 3HG2 ILE 104 -17.715 -0.060 2.606 741 HD11 ILE 104 1HD1 ILE 104 -18.465 -3.623 2.353 742 HD12 ILE 104 2HD1 ILE 104 -18.648 -1.870 2.337 743 HD13 ILE 104 3HD1 ILE 104 -18.150 -2.692 3.816 744 H THR 105 H THR 105 -12.813 0.221 1.202 745 HA THR 105 HA THR 105 -11.581 1.546 3.340 746 HB THR 105 HB THR 105 -10.731 3.119 1.511 747 HG1 THR 105 1HG THR 105 -11.416 2.816 -0.511 748 HG21 THR 105 1HG2 THR 105 -9.492 1.123 2.263 749 HG22 THR 105 2HG2 THR 105 -9.273 1.424 0.539 750 HG23 THR 105 3HG2 THR 105 -10.364 0.148 1.078 751 H GLU 106 H GLU 106 -11.577 3.813 3.843 752 HA GLU 106 HA GLU 106 -14.096 4.830 4.476 753 HB2 GLU 106 1HB GLU 106 -12.014 5.465 5.638 754 HB3 GLU 106 2HB GLU 106 -11.478 6.333 4.206 755 HG2 GLU 106 1HG GLU 106 -13.347 7.885 4.431 756 HG3 GLU 106 2HG GLU 106 -13.914 7.002 5.850 757 H ASP 107 H ASP 107 -12.027 5.348 1.704 758 HA ASP 107 HA ASP 107 -13.303 7.499 0.481 759 HB2 ASP 107 1HB ASP 107 -11.216 6.680 -0.401 760 HB3 ASP 107 2HB ASP 107 -11.908 5.092 -0.723 761 H GLY 108 H GLY 108 -13.995 4.028 0.244 762 HA2 GLY 108 1HA GLY 108 -16.145 4.171 -1.558 763 HA3 GLY 108 2HA GLY 108 -15.877 2.884 -0.390 764 H ARG 109 H ARG 109 -16.047 4.365 1.969 765 HA ARG 109 HA ARG 109 -18.790 4.427 2.496 766 HB2 ARG 109 1HB ARG 109 -17.078 4.219 4.256 767 HB3 ARG 109 2HB ARG 109 -16.541 5.860 3.940 768 HG2 ARG 109 1HG ARG 109 -17.865 5.945 5.895 769 HG3 ARG 109 2HG ARG 109 -18.840 6.644 4.602 770 HD2 ARG 109 1HD ARG 109 -20.227 5.192 5.935 771 HD3 ARG 109 2HD ARG 109 -19.990 4.454 4.350 772 HE ARG 109 HE ARG 109 -18.014 3.371 5.895 773 HH11 ARG 109 1HH1 ARG 109 -21.497 3.595 6.232 774 HH12 ARG 109 2HH1 ARG 109 -21.629 2.089 7.088 775 HH21 ARG 109 1HH2 ARG 109 -18.198 1.404 7.036 776 HH22 ARG 109 2HH2 ARG 109 -19.763 0.863 7.564 777 H GLU 110 H GLU 110 -16.539 6.992 1.614 778 HA GLU 110 HA GLU 110 -18.315 9.159 1.963 779 HB2 GLU 110 1HB GLU 110 -15.813 8.944 0.293 780 HB3 GLU 110 2HB GLU 110 -16.646 10.450 0.661 781 HG2 GLU 110 1HG GLU 110 -15.395 8.591 2.682 782 HG3 GLU 110 2HG GLU 110 -14.700 10.103 2.100 783 H GLN 111 H GLN 111 -17.959 6.884 -0.580 784 HA GLN 111 HA GLN 111 -19.545 8.607 -2.367 785 HB2 GLN 111 1HB GLN 111 -17.967 6.155 -3.143 786 HB3 GLN 111 2HB GLN 111 -18.632 7.391 -4.208 787 HG2 GLN 111 1HG GLN 111 -17.095 9.039 -3.085 788 HG3 GLN 111 2HG GLN 111 -16.335 7.669 -2.276 789 HE21 GLN 111 1HE2 GLN 111 -14.093 7.633 -4.965 790 HE22 GLN 111 2HE2 GLN 111 -14.340 7.945 -3.284 791 H LEU 112 H LEU 112 -20.045 6.370 -0.145 792 HA LEU 112 HA LEU 112 -21.870 4.598 -1.534 793 HB2 LEU 112 1HB LEU 112 -20.486 3.948 0.461 794 HB3 LEU 112 2HB LEU 112 -21.469 5.040 1.419 795 HG LEU 112 HG LEU 112 -23.462 3.674 0.970 796 HD11 LEU 112 1HD1 LEU 112 -23.239 1.486 -0.139 797 HD12 LEU 112 2HD1 LEU 112 -21.571 1.880 -0.555 798 HD13 LEU 112 3HD1 LEU 112 -22.895 2.827 -1.229 799 HD21 LEU 112 1HD2 LEU 112 -21.150 2.013 1.990 800 HD22 LEU 112 2HD2 LEU 112 -22.864 1.735 2.308 801 HD23 LEU 112 3HD2 LEU 112 -22.073 3.179 2.936 802 H ARG 113 H ARG 113 -22.356 6.616 1.344 803 HA ARG 113 HA ARG 113 -25.085 7.036 1.124 804 HB2 ARG 113 1HB ARG 113 -23.771 7.612 3.119 805 HB3 ARG 113 2HB ARG 113 -22.966 8.898 2.236 806 HG2 ARG 113 1HG ARG 113 -24.661 9.785 3.730 807 HG3 ARG 113 2HG ARG 113 -25.078 10.111 2.050 808 HD2 ARG 113 1HD ARG 113 -26.172 7.695 3.457 809 HD3 ARG 113 2HD ARG 113 -26.916 9.277 3.681 810 HE ARG 113 HE ARG 113 -26.861 9.120 1.022 811 HH11 ARG 113 1HH1 ARG 113 -27.787 6.702 3.373 812 HH12 ARG 113 2HH1 ARG 113 -29.022 6.014 2.367 813 HH21 ARG 113 1HH2 ARG 113 -28.490 8.231 -0.301 814 HH22 ARG 113 2HH2 ARG 113 -29.418 6.880 0.271 815 H ALA 114 H ALA 114 -22.437 8.439 -0.553 816 HA ALA 114 HA ALA 114 -23.715 10.816 -1.489 817 HB1 ALA 114 1HB ALA 114 -21.312 9.398 -2.640 818 HB2 ALA 114 2HB ALA 114 -21.273 10.582 -1.334 819 HB3 ALA 114 3HB ALA 114 -21.792 11.067 -2.948 820 H LEU 115 H LEU 115 -24.329 7.636 -2.302 821 HA LEU 115 HA LEU 115 -24.375 7.688 -5.110 822 HB2 LEU 115 1HB LEU 115 -25.655 5.644 -5.000 823 HB3 LEU 115 2HB LEU 115 -24.379 5.615 -3.803 824 HG LEU 115 HG LEU 115 -26.229 6.337 -2.118 825 HD11 LEU 115 1HD1 LEU 115 -28.005 6.865 -3.665 826 HD12 LEU 115 2HD1 LEU 115 -28.477 5.474 -2.690 827 HD13 LEU 115 3HD1 LEU 115 -27.938 5.244 -4.354 828 HD21 LEU 115 1HD2 LEU 115 -26.824 3.992 -1.718 829 HD22 LEU 115 2HD2 LEU 115 -25.107 4.174 -2.073 830 HD23 LEU 115 3HD2 LEU 115 -26.203 3.563 -3.313 831 H GLY 116 H GLY 116 -26.491 9.138 -2.859 832 HA2 GLY 116 1HA GLY 116 -28.459 9.621 -5.016 833 HA3 GLY 116 2HA GLY 116 -28.949 9.304 -3.359 834 H PHE 117 H PHE 117 -26.248 11.317 -4.421 835 HA PHE 117 HA PHE 117 -25.792 13.534 -4.235 836 HB2 PHE 117 2HB PHE 117 -27.805 13.798 -5.634 837 HB3 PHE 117 1HB PHE 117 -28.813 13.828 -4.195 838 HD1 PHE 117 1HD PHE 117 -25.912 15.631 -5.715 839 HD2 PHE 117 2HD PHE 117 -29.429 15.883 -3.320 840 HE1 PHE 117 1HE PHE 117 -25.667 18.076 -5.617 841 HE2 PHE 117 2HE PHE 117 -29.184 18.328 -3.218 842 HZ PHE 117 HZ PHE 117 -27.300 19.428 -4.367 843 H THR 118 H THR 118 -26.857 11.744 -1.798 844 HA THR 118 HA THR 118 -27.680 13.645 0.145 845 HB THR 118 HB THR 118 -26.475 10.969 0.830 846 HG1 THR 118 1HG THR 118 -29.073 11.481 -0.247 847 HG21 THR 118 1HG2 THR 118 -28.789 12.543 1.987 848 HG22 THR 118 2HG2 THR 118 -27.168 12.446 2.674 849 HG23 THR 118 3HG2 THR 118 -28.177 11.002 2.595 850 H VAL 119 H VAL 119 -26.058 15.258 0.035 851 HA VAL 119 HA VAL 119 -23.518 14.507 1.330 852 HB VAL 119 HB VAL 119 -22.984 15.269 -0.865 853 HG11 VAL 119 1HG1 VAL 119 -25.047 16.400 -1.459 854 HG12 VAL 119 2HG1 VAL 119 -23.667 17.454 -1.766 855 HG13 VAL 119 3HG1 VAL 119 -24.677 17.717 -0.344 856 HG21 VAL 119 1HG2 VAL 119 -21.516 16.083 0.919 857 HG22 VAL 119 2HG2 VAL 119 -22.485 17.551 1.056 858 HG23 VAL 119 3HG2 VAL 119 -21.585 17.222 -0.425 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 14.920 1.433 -2.955 2 H2 GLY 1 2H GLY 1 14.791 1.540 -4.639 3 H3 GLY 1 3H GLY 1 16.206 2.038 -3.864 4 HA2 GLY 1 1HA GLY 1 16.548 -0.095 -4.897 5 HA3 GLY 1 2HA GLY 1 16.664 -0.211 -3.147 6 HA PRO 2 HA PRO 2 12.870 -2.662 -4.965 7 HB2 PRO 2 2HB PRO 2 13.880 -4.691 -6.460 8 HB3 PRO 2 1HB PRO 2 13.425 -3.132 -7.161 9 HG2 PRO 2 2HG PRO 2 16.147 -4.120 -6.356 10 HG3 PRO 2 1HG PRO 2 15.660 -3.276 -7.840 11 HD2 PRO 2 2HD PRO 2 16.843 -1.992 -5.775 12 HD3 PRO 2 1HD PRO 2 15.625 -1.206 -6.804 13 H GLY 3 H GLY 3 12.470 -3.537 -2.989 14 HA2 GLY 3 1HA GLY 3 13.760 -6.076 -2.350 15 HA3 GLY 3 2HA GLY 3 13.943 -4.788 -1.165 16 H SER 4 H SER 4 11.896 -7.236 -2.389 17 HA SER 4 HA SER 4 10.112 -7.016 -0.187 18 HB2 SER 4 1HB SER 4 9.138 -5.222 -1.579 19 HB3 SER 4 2HB SER 4 8.988 -6.342 -2.932 20 HG SER 4 HG SER 4 7.020 -6.099 -1.741 21 H MET 5 H MET 5 8.103 -8.528 -0.768 22 HA MET 5 HA MET 5 9.068 -10.885 -2.255 23 HB2 MET 5 1HB MET 5 8.106 -12.341 -0.522 24 HB3 MET 5 2HB MET 5 9.352 -11.303 0.154 25 HG2 MET 5 1HG MET 5 7.559 -9.793 0.992 26 HG3 MET 5 2HG MET 5 6.371 -10.968 0.429 27 HE1 MET 5 1HE MET 5 9.900 -11.613 2.055 28 HE2 MET 5 2HE MET 5 9.468 -11.830 3.750 29 HE3 MET 5 3HE MET 5 9.281 -10.251 2.989 30 H SER 6 H SER 6 7.134 -8.518 -2.536 31 HA SER 6 HA SER 6 4.970 -10.005 -3.775 32 HB2 SER 6 1HB SER 6 3.246 -8.584 -2.615 33 HB3 SER 6 2HB SER 6 4.091 -9.683 -1.526 34 HG SER 6 HG SER 6 3.920 -7.012 -1.419 35 H GLU 7 H GLU 7 3.347 -7.648 -4.133 36 HA GLU 7 HA GLU 7 3.046 -5.900 -5.517 37 HB2 GLU 7 1HB GLU 7 5.941 -5.180 -5.023 38 HB3 GLU 7 2HB GLU 7 4.631 -4.099 -5.487 39 HG2 GLU 7 1HG GLU 7 5.144 -5.400 -2.831 40 HG3 GLU 7 2HG GLU 7 4.980 -3.685 -3.210 41 H THR 8 H THR 8 2.770 -7.294 -7.311 42 HA THR 8 HA THR 8 4.834 -6.900 -9.361 43 HB THR 8 HB THR 8 4.233 -9.219 -10.258 44 HG1 THR 8 1HG THR 8 2.394 -9.561 -8.912 45 HG21 THR 8 1HG2 THR 8 6.391 -8.727 -9.172 46 HG22 THR 8 2HG2 THR 8 5.841 -10.365 -8.820 47 HG23 THR 8 3HG2 THR 8 5.680 -9.100 -7.602 48 H SER 9 H SER 9 3.841 -5.532 -10.697 49 HA SER 9 HA SER 9 1.593 -6.457 -12.230 50 HB2 SER 9 1HB SER 9 0.490 -5.310 -10.281 51 HB3 SER 9 2HB SER 9 1.333 -3.827 -10.724 52 HG SER 9 HG SER 9 -0.746 -5.180 -12.064 53 H ALA 10 H ALA 10 1.277 -5.062 -14.144 54 HA ALA 10 HA ALA 10 2.045 -3.899 -15.940 55 HB1 ALA 10 1HB ALA 10 2.214 -2.002 -14.384 56 HB2 ALA 10 2HB ALA 10 3.502 -1.963 -15.586 57 HB3 ALA 10 3HB ALA 10 3.846 -2.506 -13.945 58 HA PRO 11 HA PRO 11 5.689 -6.008 -17.461 59 HB2 PRO 11 2HB PRO 11 6.951 -4.066 -18.963 60 HB3 PRO 11 1HB PRO 11 5.562 -5.006 -19.519 61 HG2 PRO 11 2HG PRO 11 5.639 -2.251 -18.343 62 HG3 PRO 11 1HG PRO 11 4.701 -2.853 -19.723 63 HD2 PRO 11 2HD PRO 11 3.571 -2.510 -17.320 64 HD3 PRO 11 1HD PRO 11 3.117 -3.876 -18.361 65 H ALA 12 H ALA 12 7.940 -6.209 -17.151 66 HA ALA 12 HA ALA 12 8.861 -5.655 -14.656 67 HB1 ALA 12 1HB ALA 12 10.590 -6.023 -17.101 68 HB2 ALA 12 2HB ALA 12 9.847 -7.317 -16.163 69 HB3 ALA 12 3HB ALA 12 11.078 -6.291 -15.427 70 H GLU 13 H GLU 13 9.488 -3.688 -17.545 71 HA GLU 13 HA GLU 13 11.442 -2.016 -16.377 72 HB2 GLU 13 1HB GLU 13 9.583 -1.460 -18.704 73 HB3 GLU 13 2HB GLU 13 10.967 -0.469 -18.272 74 HG2 GLU 13 1HG GLU 13 11.547 -1.891 -20.116 75 HG3 GLU 13 2HG GLU 13 12.451 -2.391 -18.688 76 H GLU 14 H GLU 14 7.966 -1.497 -16.924 77 HA GLU 14 HA GLU 14 7.901 1.060 -15.697 78 HB2 GLU 14 1HB GLU 14 5.670 -0.903 -16.287 79 HB3 GLU 14 2HB GLU 14 5.418 0.749 -15.728 80 HG2 GLU 14 1HG GLU 14 6.594 1.577 -17.735 81 HG3 GLU 14 2HG GLU 14 6.745 -0.083 -18.306 82 H LEU 15 H LEU 15 7.076 -2.188 -14.549 83 HA LEU 15 HA LEU 15 6.191 -1.556 -11.988 84 HB2 LEU 15 1HB LEU 15 5.976 -3.793 -12.904 85 HB3 LEU 15 2HB LEU 15 7.718 -3.972 -12.973 86 HG LEU 15 HG LEU 15 7.831 -3.955 -10.511 87 HD11 LEU 15 1HD1 LEU 15 5.786 -4.096 -9.177 88 HD12 LEU 15 2HD1 LEU 15 4.818 -3.809 -10.623 89 HD13 LEU 15 3HD1 LEU 15 5.904 -2.553 -10.021 90 HD21 LEU 15 1HD2 LEU 15 5.868 -5.964 -11.623 91 HD22 LEU 15 2HD2 LEU 15 6.783 -6.137 -10.125 92 HD23 LEU 15 3HD2 LEU 15 7.627 -6.084 -11.673 93 H LEU 16 H LEU 16 9.467 -2.055 -13.211 94 HA LEU 16 HA LEU 16 10.870 -2.086 -10.806 95 HB2 LEU 16 1HB LEU 16 11.868 -2.644 -12.976 96 HB3 LEU 16 2HB LEU 16 11.739 -0.969 -13.478 97 HG LEU 16 HG LEU 16 13.342 -0.322 -11.700 98 HD11 LEU 16 1HD1 LEU 16 14.619 -2.075 -10.535 99 HD12 LEU 16 2HD1 LEU 16 13.546 -3.297 -11.216 100 HD13 LEU 16 3HD1 LEU 16 12.911 -2.094 -10.097 101 HD21 LEU 16 1HD2 LEU 16 14.158 -0.765 -13.950 102 HD22 LEU 16 2HD2 LEU 16 14.328 -2.480 -13.572 103 HD23 LEU 16 3HD2 LEU 16 15.339 -1.290 -12.751 104 H ALA 17 H ALA 17 10.329 0.710 -12.959 105 HA ALA 17 HA ALA 17 11.542 2.585 -11.241 106 HB1 ALA 17 1HB ALA 17 9.530 3.040 -13.447 107 HB2 ALA 17 2HB ALA 17 11.282 2.995 -13.627 108 HB3 ALA 17 3HB ALA 17 10.527 4.285 -12.694 109 H ASP 18 H ASP 18 8.153 1.666 -11.728 110 HA ASP 18 HA ASP 18 7.029 3.713 -10.154 111 HB2 ASP 18 1HB ASP 18 5.737 2.373 -11.791 112 HB3 ASP 18 2HB ASP 18 5.872 0.968 -10.736 113 H VAL 19 H VAL 19 7.835 0.333 -9.351 114 HA VAL 19 HA VAL 19 6.999 0.565 -6.641 115 HB VAL 19 HB VAL 19 7.282 -1.615 -7.967 116 HG11 VAL 19 1HG1 VAL 19 9.431 -2.744 -7.817 117 HG12 VAL 19 2HG1 VAL 19 10.145 -1.329 -7.045 118 HG13 VAL 19 3HG1 VAL 19 9.594 -1.237 -8.719 119 HG21 VAL 19 1HG2 VAL 19 8.399 -1.446 -5.166 120 HG22 VAL 19 2HG2 VAL 19 7.780 -2.903 -5.940 121 HG23 VAL 19 3HG2 VAL 19 6.695 -1.558 -5.602 122 H GLU 20 H GLU 20 10.050 1.062 -8.320 123 HA GLU 20 HA GLU 20 11.797 1.284 -6.153 124 HB2 GLU 20 1HB GLU 20 12.643 1.273 -8.414 125 HB3 GLU 20 2HB GLU 20 11.744 2.724 -8.819 126 HG2 GLU 20 1HG GLU 20 14.137 3.156 -8.549 127 HG3 GLU 20 2HG GLU 20 13.164 4.055 -7.387 128 H GLU 21 H GLU 21 9.840 3.796 -7.742 129 HA GLU 21 HA GLU 21 10.501 5.870 -5.929 130 HB2 GLU 21 1HB GLU 21 8.008 5.542 -7.623 131 HB3 GLU 21 2HB GLU 21 8.548 7.038 -6.871 132 HG2 GLU 21 1HG GLU 21 9.994 5.506 -9.026 133 HG3 GLU 21 2HG GLU 21 9.076 6.992 -9.242 134 H ALA 22 H ALA 22 7.740 3.646 -6.101 135 HA ALA 22 HA ALA 22 6.232 4.694 -4.008 136 HB1 ALA 22 1HB ALA 22 5.078 2.543 -3.969 137 HB2 ALA 22 2HB ALA 22 6.374 1.822 -4.925 138 HB3 ALA 22 3HB ALA 22 5.357 3.083 -5.626 139 H MET 23 H MET 23 8.921 2.431 -3.945 140 HA MET 23 HA MET 23 8.487 1.546 -1.253 141 HB2 MET 23 1HB MET 23 10.827 1.292 -3.149 142 HB3 MET 23 2HB MET 23 10.888 0.676 -1.503 143 HG2 MET 23 1HG MET 23 8.881 -0.163 -3.595 144 HG3 MET 23 2HG MET 23 10.337 -1.060 -3.156 145 HE1 MET 23 1HE MET 23 7.372 -2.299 -3.145 146 HE2 MET 23 2HE MET 23 7.425 -3.234 -1.652 147 HE3 MET 23 3HE MET 23 8.820 -3.218 -2.734 148 H ARG 24 H ARG 24 9.718 4.334 -2.651 149 HA ARG 24 HA ARG 24 11.318 5.070 -0.293 150 HB2 ARG 24 1HB ARG 24 11.191 5.933 -3.153 151 HB3 ARG 24 2HB ARG 24 11.722 7.100 -1.962 152 HG2 ARG 24 1HG ARG 24 13.687 6.024 -1.559 153 HG3 ARG 24 2HG ARG 24 12.991 4.429 -1.845 154 HD2 ARG 24 1HD ARG 24 14.682 5.201 -3.542 155 HD3 ARG 24 2HD ARG 24 13.129 4.682 -4.193 156 HE ARG 24 HE ARG 24 13.149 7.489 -3.764 157 HH11 ARG 24 1HH1 ARG 24 14.390 5.011 -5.902 158 HH12 ARG 24 2HH1 ARG 24 14.450 6.056 -7.291 159 HH21 ARG 24 1HH2 ARG 24 13.212 8.870 -5.583 160 HH22 ARG 24 2HH2 ARG 24 13.768 8.256 -7.109 161 H ASP 25 H ASP 25 8.150 5.224 -1.159 162 HA ASP 25 HA ASP 25 7.796 7.888 0.109 163 HB2 ASP 25 1HB ASP 25 7.097 7.939 -2.249 164 HB3 ASP 25 2HB ASP 25 6.042 6.556 -1.984 165 H VAL 26 H VAL 26 6.903 4.570 -0.068 166 HA VAL 26 HA VAL 26 4.795 4.764 1.905 167 HB VAL 26 HB VAL 26 5.941 2.481 0.275 168 HG11 VAL 26 1HG1 VAL 26 3.592 2.410 2.155 169 HG12 VAL 26 2HG1 VAL 26 5.152 1.633 2.409 170 HG13 VAL 26 3HG1 VAL 26 4.114 1.109 1.087 171 HG21 VAL 26 1HG2 VAL 26 3.797 2.568 -0.906 172 HG22 VAL 26 2HG2 VAL 26 4.649 4.110 -1.005 173 HG23 VAL 26 3HG2 VAL 26 3.289 3.924 0.104 174 H VAL 27 H VAL 27 8.154 4.226 1.761 175 HA VAL 27 HA VAL 27 8.348 2.532 4.109 176 HB VAL 27 HB VAL 27 9.934 2.418 2.126 177 HG11 VAL 27 1HG1 VAL 27 11.020 4.963 3.331 178 HG12 VAL 27 2HG1 VAL 27 10.252 4.793 1.751 179 HG13 VAL 27 3HG1 VAL 27 11.801 4.008 2.069 180 HG21 VAL 27 1HG2 VAL 27 11.990 2.145 3.531 181 HG22 VAL 27 2HG2 VAL 27 10.572 1.286 4.112 182 HG23 VAL 27 3HG2 VAL 27 11.069 2.786 4.896 183 H ASP 28 H ASP 28 9.685 3.237 6.000 184 HA ASP 28 HA ASP 28 9.535 6.137 6.486 185 HB2 ASP 28 1HB ASP 28 8.490 4.731 8.237 186 HB3 ASP 28 2HB ASP 28 10.008 3.863 8.446 187 HA PRO 29 HA PRO 29 13.972 5.393 5.649 188 HB2 PRO 29 2HB PRO 29 14.400 7.460 3.991 189 HB3 PRO 29 1HB PRO 29 13.558 6.012 3.445 190 HG2 PRO 29 2HG PRO 29 12.453 8.680 4.180 191 HG3 PRO 29 1HG PRO 29 11.930 7.554 2.914 192 HD2 PRO 29 2HD PRO 29 10.762 7.846 5.456 193 HD3 PRO 29 1HD PRO 29 10.494 6.502 4.330 194 H GLU 30 H GLU 30 12.202 7.645 7.317 195 HA GLU 30 HA GLU 30 14.148 9.596 7.987 196 HB2 GLU 30 1HB GLU 30 11.689 9.895 8.222 197 HB3 GLU 30 2HB GLU 30 11.692 8.726 9.536 198 HG2 GLU 30 1HG GLU 30 13.096 10.199 10.870 199 HG3 GLU 30 2HG GLU 30 13.174 11.353 9.538 200 H LEU 31 H LEU 31 12.824 6.877 9.925 201 HA LEU 31 HA LEU 31 15.337 6.822 11.450 202 HB2 LEU 31 1HB LEU 31 12.652 5.531 11.956 203 HB3 LEU 31 2HB LEU 31 14.082 5.138 12.888 204 HG LEU 31 HG LEU 31 14.211 7.583 13.531 205 HD11 LEU 31 1HD1 LEU 31 12.842 8.528 11.769 206 HD12 LEU 31 2HD1 LEU 31 12.147 8.897 13.347 207 HD13 LEU 31 3HD1 LEU 31 11.436 7.631 12.344 208 HD21 LEU 31 1HD2 LEU 31 11.767 6.020 14.378 209 HD22 LEU 31 2HD2 LEU 31 12.474 7.381 15.252 210 HD23 LEU 31 3HD2 LEU 31 13.386 5.884 15.065 211 H GLY 32 H GLY 32 13.633 5.197 8.962 212 HA2 GLY 32 1HA GLY 32 14.790 3.835 7.417 213 HA3 GLY 32 2HA GLY 32 15.941 3.410 8.671 214 H ILE 33 H ILE 33 12.392 3.244 8.829 215 HA ILE 33 HA ILE 33 12.622 0.304 9.102 216 HB ILE 33 HB ILE 33 10.286 2.036 9.963 217 HG12 ILE 33 1HG1 ILE 33 11.075 1.288 12.309 218 HG13 ILE 33 2HG1 ILE 33 12.614 0.925 11.534 219 HG21 ILE 33 1HG2 ILE 33 9.625 -0.228 9.375 220 HG22 ILE 33 2HG2 ILE 33 9.512 -0.000 11.120 221 HG23 ILE 33 3HG2 ILE 33 10.870 -0.891 10.433 222 HD11 ILE 33 1HD1 ILE 33 12.826 3.245 10.849 223 HD12 ILE 33 2HD1 ILE 33 12.608 3.115 12.597 224 HD13 ILE 33 3HD1 ILE 33 11.259 3.610 11.571 225 H ASN 34 H ASN 34 11.435 -1.002 7.758 226 HA ASN 34 HA ASN 34 9.993 0.369 5.579 227 HB2 ASN 34 1HB ASN 34 11.250 -2.394 5.549 228 HB3 ASN 34 2HB ASN 34 10.396 -1.639 4.210 229 HD21 ASN 34 1HD2 ASN 34 13.945 0.156 5.155 230 HD22 ASN 34 2HD2 ASN 34 12.802 -0.207 6.398 231 H VAL 35 H VAL 35 7.895 -0.177 5.163 232 HA VAL 35 HA VAL 35 6.373 -1.338 7.216 233 HB VAL 35 HB VAL 35 4.475 -1.293 5.628 234 HG11 VAL 35 1HG1 VAL 35 5.085 0.746 6.840 235 HG12 VAL 35 2HG1 VAL 35 4.474 1.138 5.233 236 HG13 VAL 35 3HG1 VAL 35 6.208 1.193 5.555 237 HG21 VAL 35 1HG2 VAL 35 6.556 -0.471 3.590 238 HG22 VAL 35 2HG2 VAL 35 4.810 -0.441 3.339 239 HG23 VAL 35 3HG2 VAL 35 5.637 -1.978 3.593 240 H VAL 36 H VAL 36 7.881 -2.709 4.380 241 HA VAL 36 HA VAL 36 6.601 -5.189 4.244 242 HB VAL 36 HB VAL 36 8.190 -4.341 2.528 243 HG11 VAL 36 1HG1 VAL 36 10.332 -5.113 4.511 244 HG12 VAL 36 2HG1 VAL 36 9.930 -3.477 3.997 245 HG13 VAL 36 3HG1 VAL 36 10.603 -4.622 2.838 246 HG21 VAL 36 1HG2 VAL 36 7.545 -6.703 2.551 247 HG22 VAL 36 2HG2 VAL 36 8.899 -7.070 3.621 248 HG23 VAL 36 3HG2 VAL 36 9.201 -6.501 1.979 249 H ASP 37 H ASP 37 8.854 -3.928 6.521 250 HA ASP 37 HA ASP 37 10.017 -6.199 7.625 251 HB2 ASP 37 1HB ASP 37 10.711 -3.941 8.225 252 HB3 ASP 37 2HB ASP 37 9.149 -3.621 8.961 253 H LEU 38 H LEU 38 6.752 -4.951 7.962 254 HA LEU 38 HA LEU 38 6.070 -6.516 10.274 255 HB2 LEU 38 1HB LEU 38 4.411 -5.060 8.213 256 HB3 LEU 38 2HB LEU 38 3.679 -5.982 9.510 257 HG LEU 38 HG LEU 38 3.683 -3.644 10.100 258 HD11 LEU 38 1HD1 LEU 38 4.843 -3.725 12.236 259 HD12 LEU 38 2HD1 LEU 38 5.767 -5.128 11.698 260 HD13 LEU 38 3HD1 LEU 38 4.019 -5.247 11.904 261 HD21 LEU 38 1HD2 LEU 38 6.685 -3.707 9.754 262 HD22 LEU 38 2HD2 LEU 38 5.736 -2.346 10.351 263 HD23 LEU 38 3HD2 LEU 38 5.538 -2.895 8.688 264 H GLY 39 H GLY 39 6.455 -7.206 6.980 265 HA2 GLY 39 1HA GLY 39 6.195 -9.088 5.713 266 HA3 GLY 39 2HA GLY 39 6.131 -9.967 7.231 267 H LEU 40 H LEU 40 3.736 -7.546 6.709 268 HA LEU 40 HA LEU 40 1.712 -9.613 6.240 269 HB2 LEU 40 1HB LEU 40 1.384 -8.015 8.105 270 HB3 LEU 40 2HB LEU 40 1.372 -6.694 6.954 271 HG LEU 40 HG LEU 40 -0.704 -7.504 5.970 272 HD11 LEU 40 1HD1 LEU 40 -0.577 -9.747 7.996 273 HD12 LEU 40 2HD1 LEU 40 -0.375 -9.911 6.250 274 HD13 LEU 40 3HD1 LEU 40 -1.928 -9.397 6.913 275 HD21 LEU 40 1HD2 LEU 40 -0.883 -5.998 7.858 276 HD22 LEU 40 2HD2 LEU 40 -0.814 -7.353 8.985 277 HD23 LEU 40 3HD2 LEU 40 -2.196 -7.174 7.903 278 H VAL 41 H VAL 41 3.499 -7.262 4.598 279 HA VAL 41 HA VAL 41 1.672 -6.330 2.667 280 HB VAL 41 HB VAL 41 4.674 -6.622 2.359 281 HG11 VAL 41 1HG1 VAL 41 2.723 -4.774 0.974 282 HG12 VAL 41 2HG1 VAL 41 3.564 -6.140 0.245 283 HG13 VAL 41 3HG1 VAL 41 4.476 -4.736 0.791 284 HG21 VAL 41 1HG2 VAL 41 4.804 -4.303 3.195 285 HG22 VAL 41 2HG2 VAL 41 4.166 -5.413 4.407 286 HG23 VAL 41 3HG2 VAL 41 3.072 -4.339 3.534 287 H TYR 42 H TYR 42 3.114 -9.387 3.055 288 HA TYR 42 HA TYR 42 3.188 -10.205 0.316 289 HB2 TYR 42 2HB TYR 42 4.483 -11.378 2.078 290 HB3 TYR 42 1HB TYR 42 2.981 -11.905 2.828 291 HD1 TYR 42 1HD TYR 42 5.005 -12.181 -0.278 292 HD2 TYR 42 2HD TYR 42 1.909 -13.894 2.098 293 HE1 TYR 42 1HE TYR 42 5.011 -14.174 -1.715 294 HE2 TYR 42 2HE TYR 42 1.912 -15.892 0.664 295 HH TYR 42 HH TYR 42 2.551 -16.541 -1.594 296 H GLY 43 H GLY 43 0.785 -9.846 2.728 297 HA2 GLY 43 1HA GLY 43 -1.228 -11.419 1.352 298 HA3 GLY 43 2HA GLY 43 -1.449 -10.463 2.813 299 H LEU 44 H LEU 44 -1.459 -10.439 -0.643 300 HA LEU 44 HA LEU 44 -3.191 -8.125 -0.544 301 HB2 LEU 44 1HB LEU 44 -2.091 -6.864 -2.270 302 HB3 LEU 44 2HB LEU 44 -0.981 -7.123 -0.950 303 HG LEU 44 HG LEU 44 0.331 -7.303 -2.863 304 HD11 LEU 44 1HD1 LEU 44 0.811 -9.108 -1.346 305 HD12 LEU 44 2HD1 LEU 44 1.071 -9.614 -3.015 306 HD13 LEU 44 3HD1 LEU 44 -0.378 -10.134 -2.150 307 HD21 LEU 44 1HD2 LEU 44 -0.207 -8.624 -4.845 308 HD22 LEU 44 2HD2 LEU 44 -1.415 -7.376 -4.536 309 HD23 LEU 44 3HD2 LEU 44 -1.762 -9.058 -4.134 310 H ASP 45 H ASP 45 -4.830 -8.272 -1.919 311 HA ASP 45 HA ASP 45 -4.780 -10.394 -3.954 312 HB2 ASP 45 1HB ASP 45 -5.902 -11.347 -2.021 313 HB3 ASP 45 2HB ASP 45 -6.914 -9.916 -1.849 314 H VAL 46 H VAL 46 -5.008 -9.322 -5.800 315 HA VAL 46 HA VAL 46 -6.631 -6.894 -5.859 316 HB VAL 46 HB VAL 46 -5.641 -6.407 -8.012 317 HG11 VAL 46 1HG1 VAL 46 -3.493 -7.387 -6.123 318 HG12 VAL 46 2HG1 VAL 46 -4.338 -5.847 -5.999 319 HG13 VAL 46 3HG1 VAL 46 -3.303 -6.171 -7.387 320 HG21 VAL 46 1HG2 VAL 46 -4.272 -9.090 -7.830 321 HG22 VAL 46 2HG2 VAL 46 -3.988 -7.868 -9.068 322 HG23 VAL 46 3HG2 VAL 46 -5.560 -8.656 -8.952 323 H GLN 47 H GLN 47 -8.690 -7.062 -6.380 324 HA GLN 47 HA GLN 47 -9.607 -9.501 -7.736 325 HB2 GLN 47 1HB GLN 47 -11.126 -7.425 -6.140 326 HB3 GLN 47 2HB GLN 47 -11.881 -8.790 -6.956 327 HG2 GLN 47 1HG GLN 47 -10.471 -10.312 -5.571 328 HG3 GLN 47 2HG GLN 47 -9.909 -8.898 -4.680 329 HE21 GLN 47 1HE2 GLN 47 -12.859 -10.627 -3.059 330 HE22 GLN 47 2HE2 GLN 47 -11.398 -11.229 -3.759 331 H ASP 48 H ASP 48 -10.184 -9.461 -9.789 332 HA ASP 48 HA ASP 48 -10.345 -6.953 -11.217 333 HB2 ASP 48 1HB ASP 48 -9.290 -8.947 -12.220 334 HB3 ASP 48 2HB ASP 48 -10.852 -9.756 -12.208 335 H GLY 49 H GLY 49 -12.070 -5.965 -10.371 336 HA2 GLY 49 1HA GLY 49 -14.688 -7.193 -10.262 337 HA3 GLY 49 2HA GLY 49 -14.291 -5.529 -9.846 338 H ASP 50 H ASP 50 -16.562 -6.127 -11.296 339 HA ASP 50 HA ASP 50 -16.350 -6.092 -14.069 340 HB2 ASP 50 1HB ASP 50 -18.467 -6.466 -12.846 341 HB3 ASP 50 2HB ASP 50 -18.482 -4.773 -12.362 342 H GLU 51 H GLU 51 -16.215 -3.466 -11.741 343 HA GLU 51 HA GLU 51 -16.173 -1.350 -13.655 344 HB2 GLU 51 1HB GLU 51 -15.206 -1.425 -10.781 345 HB3 GLU 51 2HB GLU 51 -15.350 0.034 -11.747 346 HG2 GLU 51 1HG GLU 51 -17.222 -0.151 -10.241 347 HG3 GLU 51 2HG GLU 51 -17.774 -0.316 -11.906 348 H GLY 52 H GLY 52 -13.730 -3.263 -11.998 349 HA2 GLY 52 1HA GLY 52 -11.743 -3.201 -13.860 350 HA3 GLY 52 2HA GLY 52 -11.498 -1.720 -12.939 351 H THR 53 H THR 53 -9.426 -3.161 -12.702 352 HA THR 53 HA THR 53 -9.624 -5.231 -10.692 353 HB THR 53 HB THR 53 -7.125 -3.933 -11.805 354 HG1 THR 53 1HG THR 53 -8.899 -5.828 -12.862 355 HG21 THR 53 1HG2 THR 53 -6.769 -5.261 -9.764 356 HG22 THR 53 2HG2 THR 53 -6.051 -6.046 -11.170 357 HG23 THR 53 3HG2 THR 53 -7.580 -6.634 -10.519 358 H VAL 54 H VAL 54 -9.946 -4.678 -8.640 359 HA VAL 54 HA VAL 54 -8.703 -2.233 -7.566 360 HB VAL 54 HB VAL 54 -10.883 -3.954 -6.342 361 HG11 VAL 54 1HG1 VAL 54 -11.184 -2.062 -4.786 362 HG12 VAL 54 2HG1 VAL 54 -9.781 -1.267 -5.501 363 HG13 VAL 54 3HG1 VAL 54 -9.586 -2.795 -4.642 364 HG21 VAL 54 1HG2 VAL 54 -12.420 -2.154 -6.944 365 HG22 VAL 54 2HG2 VAL 54 -11.640 -2.809 -8.385 366 HG23 VAL 54 3HG2 VAL 54 -11.104 -1.266 -7.716 367 H ALA 55 H ALA 55 -6.997 -2.407 -6.254 368 HA ALA 55 HA ALA 55 -6.000 -5.083 -5.630 369 HB1 ALA 55 1HB ALA 55 -4.703 -2.364 -5.260 370 HB2 ALA 55 2HB ALA 55 -4.496 -3.427 -6.652 371 HB3 ALA 55 3HB ALA 55 -3.911 -3.928 -5.066 372 H LEU 56 H LEU 56 -6.867 -5.931 -3.782 373 HA LEU 56 HA LEU 56 -7.357 -4.243 -1.454 374 HB2 LEU 56 1HB LEU 56 -7.666 -7.241 -1.580 375 HB3 LEU 56 2HB LEU 56 -8.458 -6.114 -0.494 376 HG LEU 56 HG LEU 56 -9.003 -6.448 -3.446 377 HD11 LEU 56 1HD1 LEU 56 -11.190 -7.235 -2.730 378 HD12 LEU 56 2HD1 LEU 56 -10.727 -7.030 -1.040 379 HD13 LEU 56 3HD1 LEU 56 -9.910 -8.232 -2.039 380 HD21 LEU 56 1HD2 LEU 56 -10.283 -4.552 -1.472 381 HD22 LEU 56 2HD2 LEU 56 -10.793 -4.811 -3.141 382 HD23 LEU 56 3HD2 LEU 56 -9.216 -4.101 -2.803 383 H ILE 57 H ILE 57 -5.505 -3.713 -0.423 384 HA ILE 57 HA ILE 57 -3.369 -5.698 -0.135 385 HB ILE 57 HB ILE 57 -3.325 -2.744 0.540 386 HG12 ILE 57 1HG1 ILE 57 -2.276 -4.181 -1.921 387 HG13 ILE 57 2HG1 ILE 57 -3.693 -3.138 -1.878 388 HG21 ILE 57 1HG2 ILE 57 -1.663 -4.049 1.772 389 HG22 ILE 57 2HG2 ILE 57 -0.884 -3.022 0.569 390 HG23 ILE 57 3HG2 ILE 57 -1.076 -4.748 0.262 391 HD11 ILE 57 1HD1 ILE 57 -1.780 -1.986 -2.816 392 HD12 ILE 57 2HD1 ILE 57 -0.853 -2.287 -1.346 393 HD13 ILE 57 3HD1 ILE 57 -2.271 -1.238 -1.297 394 H ASP 58 H ASP 58 -2.879 -6.625 1.765 395 HA ASP 58 HA ASP 58 -4.493 -5.952 4.111 396 HB2 ASP 58 1HB ASP 58 -2.673 -8.308 3.509 397 HB3 ASP 58 2HB ASP 58 -3.524 -8.083 5.037 398 H MET 59 H MET 59 -3.682 -4.515 5.489 399 HA MET 59 HA MET 59 -0.844 -4.642 6.211 400 HB2 MET 59 1HB MET 59 -2.262 -2.135 5.273 401 HB3 MET 59 2HB MET 59 -0.733 -2.117 6.136 402 HG2 MET 59 1HG MET 59 0.309 -3.391 4.324 403 HG3 MET 59 2HG MET 59 -1.225 -3.411 3.456 404 HE1 MET 59 1HE MET 59 0.270 -0.419 5.557 405 HE2 MET 59 2HE MET 59 1.158 0.460 4.313 406 HE3 MET 59 3HE MET 59 1.699 -1.140 4.816 407 H THR 60 H THR 60 -0.400 -3.180 8.124 408 HA THR 60 HA THR 60 -2.592 -2.237 9.690 409 HB THR 60 HB THR 60 -2.698 -4.650 10.267 410 HG1 THR 60 1HG THR 60 -2.163 -4.185 12.660 411 HG21 THR 60 1HG2 THR 60 0.096 -4.252 11.357 412 HG22 THR 60 2HG2 THR 60 -0.326 -5.217 9.944 413 HG23 THR 60 3HG2 THR 60 -0.893 -5.701 11.543 414 H LEU 61 H LEU 61 -1.809 -1.200 11.683 415 HA LEU 61 HA LEU 61 0.990 -0.306 11.432 416 HB2 LEU 61 1HB LEU 61 -1.351 1.035 12.821 417 HB3 LEU 61 2HB LEU 61 0.289 1.648 12.806 418 HG LEU 61 HG LEU 61 -0.941 2.933 11.236 419 HD11 LEU 61 1HD1 LEU 61 0.652 0.903 9.674 420 HD12 LEU 61 2HD1 LEU 61 1.298 2.321 10.500 421 HD13 LEU 61 3HD1 LEU 61 0.203 2.523 9.131 422 HD21 LEU 61 1HD2 LEU 61 -2.850 1.423 10.952 423 HD22 LEU 61 2HD2 LEU 61 -1.865 0.366 9.938 424 HD23 LEU 61 3HD2 LEU 61 -2.240 2.005 9.403 425 H THR 62 H THR 62 1.929 0.330 13.672 426 HA THR 62 HA THR 62 2.395 -1.838 15.249 427 HB THR 62 HB THR 62 2.895 -0.185 17.124 428 HG1 THR 62 1HG THR 62 2.683 2.021 16.572 429 HG21 THR 62 1HG2 THR 62 4.611 -0.831 15.481 430 HG22 THR 62 2HG2 THR 62 4.780 0.858 15.955 431 HG23 THR 62 3HG2 THR 62 4.058 0.449 14.400 432 H SER 63 H SER 63 0.059 0.722 16.099 433 HA SER 63 HA SER 63 -1.327 -1.175 17.873 434 HB2 SER 63 1HB SER 63 -0.559 0.991 18.840 435 HB3 SER 63 2HB SER 63 -1.614 1.841 17.712 436 HG SER 63 HG SER 63 -3.025 -0.049 18.984 437 H ALA 64 H ALA 64 -1.485 -0.152 14.781 438 HA ALA 64 HA ALA 64 -3.035 -0.111 13.132 439 HB1 ALA 64 1HB ALA 64 -3.583 -2.341 13.992 440 HB2 ALA 64 2HB ALA 64 -5.007 -1.522 13.352 441 HB3 ALA 64 3HB ALA 64 -4.758 -1.627 15.094 442 H ALA 65 H ALA 65 -3.233 1.790 15.675 443 HA ALA 65 HA ALA 65 -5.783 3.043 14.879 444 HB1 ALA 65 1HB ALA 65 -4.308 3.277 17.509 445 HB2 ALA 65 2HB ALA 65 -5.751 2.305 17.217 446 HB3 ALA 65 3HB ALA 65 -5.833 4.064 17.102 447 H CYS 66 H CYS 66 -2.486 3.265 14.634 448 HA CYS 66 HA CYS 66 -1.842 5.921 15.143 449 HB2 CYS 66 2HB CYS 66 -0.620 4.251 12.936 450 HB3 CYS 66 1HB CYS 66 0.159 5.488 13.919 451 HG CYS 66 HG CYS 66 0.517 4.022 16.132 452 HA PRO 67 HA PRO 67 -3.985 8.083 11.905 453 HB2 PRO 67 2HB PRO 67 -2.633 10.429 11.937 454 HB3 PRO 67 1HB PRO 67 -3.716 9.943 13.249 455 HG2 PRO 67 2HG PRO 67 -0.723 9.728 13.093 456 HG3 PRO 67 1HG PRO 67 -1.733 10.310 14.431 457 HD2 PRO 67 2HD PRO 67 -0.709 7.802 14.370 458 HD3 PRO 67 1HD PRO 67 -2.277 8.168 15.118 459 H LEU 68 H LEU 68 -1.311 6.503 11.349 460 HA LEU 68 HA LEU 68 -0.378 7.874 8.964 461 HB2 LEU 68 1HB LEU 68 0.427 5.217 10.169 462 HB3 LEU 68 2HB LEU 68 1.213 5.984 8.802 463 HG LEU 68 HG LEU 68 1.123 7.091 11.618 464 HD11 LEU 68 1HD1 LEU 68 2.535 5.108 11.443 465 HD12 LEU 68 2HD1 LEU 68 3.501 6.561 11.691 466 HD13 LEU 68 3HD1 LEU 68 3.401 5.833 10.087 467 HD21 LEU 68 1HD2 LEU 68 2.561 8.087 9.152 468 HD22 LEU 68 2HD2 LEU 68 2.742 8.740 10.781 469 HD23 LEU 68 3HD2 LEU 68 1.193 8.867 9.949 470 H THR 69 H THR 69 -2.945 5.955 9.717 471 HA THR 69 HA THR 69 -2.949 3.990 7.710 472 HB THR 69 HB THR 69 -4.451 3.742 9.555 473 HG1 THR 69 1HG THR 69 -6.232 4.327 7.440 474 HG21 THR 69 1HG2 THR 69 -4.837 6.140 10.037 475 HG22 THR 69 2HG2 THR 69 -6.333 5.208 9.995 476 HG23 THR 69 3HG2 THR 69 -5.896 6.232 8.628 477 H ASP 70 H ASP 70 -4.582 7.179 7.748 478 HA ASP 70 HA ASP 70 -5.532 6.990 5.089 479 HB2 ASP 70 1HB ASP 70 -5.919 9.430 5.266 480 HB3 ASP 70 2HB ASP 70 -6.535 8.562 6.668 481 H VAL 71 H VAL 71 -2.531 7.966 6.519 482 HA VAL 71 HA VAL 71 -1.402 9.310 4.309 483 HB VAL 71 HB VAL 71 0.031 7.770 6.492 484 HG11 VAL 71 1HG1 VAL 71 1.055 9.940 4.653 485 HG12 VAL 71 2HG1 VAL 71 1.469 8.229 4.564 486 HG13 VAL 71 3HG1 VAL 71 1.959 9.180 5.964 487 HG21 VAL 71 1HG2 VAL 71 0.263 9.966 7.598 488 HG22 VAL 71 2HG2 VAL 71 -1.420 9.460 7.451 489 HG23 VAL 71 3HG2 VAL 71 -0.769 10.682 6.358 490 H ILE 72 H ILE 72 -1.079 5.906 5.415 491 HA ILE 72 HA ILE 72 0.574 5.209 3.211 492 HB ILE 72 HB ILE 72 0.175 2.824 3.906 493 HG12 ILE 72 1HG1 ILE 72 -0.793 2.715 6.351 494 HG13 ILE 72 2HG1 ILE 72 -1.646 4.179 5.884 495 HG21 ILE 72 1HG2 ILE 72 2.072 4.129 4.713 496 HG22 ILE 72 2HG2 ILE 72 1.497 3.016 5.951 497 HG23 ILE 72 3HG2 ILE 72 1.101 4.731 6.059 498 HD11 ILE 72 1HD1 ILE 72 -3.026 2.202 5.613 499 HD12 ILE 72 2HD1 ILE 72 -1.839 1.510 4.507 500 HD13 ILE 72 3HD1 ILE 72 -2.716 2.974 4.059 501 H GLU 73 H GLU 73 -2.925 5.039 3.738 502 HA GLU 73 HA GLU 73 -3.511 3.633 1.354 503 HB2 GLU 73 1HB GLU 73 -5.137 5.645 2.915 504 HB3 GLU 73 2HB GLU 73 -5.745 4.847 1.470 505 HG2 GLU 73 1HG GLU 73 -4.959 2.690 2.881 506 HG3 GLU 73 2HG GLU 73 -5.344 3.788 4.202 507 H ASP 74 H ASP 74 -3.175 7.098 2.046 508 HA ASP 74 HA ASP 74 -3.706 8.080 -0.514 509 HB2 ASP 74 1HB ASP 74 -3.545 9.624 1.318 510 HB3 ASP 74 2HB ASP 74 -1.886 9.140 1.659 511 H GLN 75 H GLN 75 -0.621 7.119 0.937 512 HA GLN 75 HA GLN 75 1.072 7.732 -1.187 513 HB2 GLN 75 1HB GLN 75 1.296 5.517 0.871 514 HB3 GLN 75 2HB GLN 75 2.610 6.048 -0.171 515 HG2 GLN 75 1HG GLN 75 2.661 8.202 0.865 516 HG3 GLN 75 2HG GLN 75 1.190 7.860 1.773 517 HE21 GLN 75 1HE2 GLN 75 4.344 7.385 3.799 518 HE22 GLN 75 2HE2 GLN 75 3.819 8.640 2.737 519 H SER 76 H SER 76 -0.390 4.574 -0.376 520 HA SER 76 HA SER 76 0.608 3.211 -2.621 521 HB2 SER 76 1HB SER 76 -0.253 2.076 -0.605 522 HB3 SER 76 2HB SER 76 -1.884 2.608 -1.003 523 HG SER 76 HG SER 76 -0.371 0.565 -2.080 524 H ARG 77 H ARG 77 -2.654 4.596 -2.072 525 HA ARG 77 HA ARG 77 -3.737 4.002 -4.571 526 HB2 ARG 77 1HB ARG 77 -5.203 4.751 -2.853 527 HB3 ARG 77 2HB ARG 77 -4.313 6.252 -2.642 528 HG2 ARG 77 1HG ARG 77 -5.080 7.053 -4.799 529 HG3 ARG 77 2HG ARG 77 -5.894 5.518 -5.107 530 HD2 ARG 77 1HD ARG 77 -6.563 7.236 -2.722 531 HD3 ARG 77 2HD ARG 77 -7.330 7.471 -4.293 532 HE ARG 77 HE ARG 77 -7.924 4.973 -4.023 533 HH11 ARG 77 1HH1 ARG 77 -7.789 7.282 -1.376 534 HH12 ARG 77 2HH1 ARG 77 -9.007 6.469 -0.442 535 HH21 ARG 77 1HH2 ARG 77 -9.522 3.924 -2.808 536 HH22 ARG 77 2HH2 ARG 77 -9.997 4.575 -1.260 537 H SER 78 H SER 78 -1.985 6.903 -3.540 538 HA SER 78 HA SER 78 -2.385 8.472 -5.779 539 HB2 SER 78 1HB SER 78 -1.374 9.254 -3.642 540 HB3 SER 78 2HB SER 78 0.111 8.406 -4.064 541 HG SER 78 HG SER 78 0.614 10.190 -5.034 542 H ALA 79 H ALA 79 0.325 6.213 -5.145 543 HA ALA 79 HA ALA 79 1.543 6.769 -7.678 544 HB1 ALA 79 1HB ALA 79 2.065 4.502 -5.752 545 HB2 ALA 79 2HB ALA 79 2.875 6.069 -5.755 546 HB3 ALA 79 3HB ALA 79 3.091 4.963 -7.110 547 H LEU 80 H LEU 80 -0.265 3.961 -6.399 548 HA LEU 80 HA LEU 80 0.077 2.354 -8.678 549 HB2 LEU 80 1HB LEU 80 -2.096 2.282 -6.577 550 HB3 LEU 80 2HB LEU 80 -1.843 1.029 -7.779 551 HG LEU 80 HG LEU 80 0.084 1.814 -5.580 552 HD11 LEU 80 1HD1 LEU 80 -0.344 -0.462 -4.753 553 HD12 LEU 80 2HD1 LEU 80 -1.555 -0.682 -6.017 554 HD13 LEU 80 3HD1 LEU 80 -1.801 0.531 -4.760 555 HD21 LEU 80 1HD2 LEU 80 0.362 -0.286 -7.736 556 HD22 LEU 80 2HD2 LEU 80 1.452 -0.071 -6.364 557 HD23 LEU 80 3HD2 LEU 80 1.313 1.193 -7.588 558 H VAL 81 H VAL 81 -2.438 4.645 -7.805 559 HA VAL 81 HA VAL 81 -3.965 4.203 -10.203 560 HB VAL 81 HB VAL 81 -4.105 6.469 -8.188 561 HG11 VAL 81 1HG1 VAL 81 -5.027 7.175 -10.334 562 HG12 VAL 81 2HG1 VAL 81 -6.322 6.945 -9.158 563 HG13 VAL 81 3HG1 VAL 81 -6.031 5.724 -10.398 564 HG21 VAL 81 1HG2 VAL 81 -6.089 5.297 -7.334 565 HG22 VAL 81 2HG2 VAL 81 -4.645 4.295 -7.207 566 HG23 VAL 81 3HG2 VAL 81 -5.817 3.992 -8.489 567 H GLY 82 H GLY 82 -1.231 6.134 -9.265 568 HA2 GLY 82 1HA GLY 82 -1.598 8.260 -11.152 569 HA3 GLY 82 2HA GLY 82 -0.123 7.883 -10.269 570 H SER 83 H SER 83 0.518 5.407 -11.069 571 HA SER 83 HA SER 83 1.277 5.746 -13.834 572 HB2 SER 83 1HB SER 83 2.862 4.823 -12.174 573 HB3 SER 83 2HB SER 83 1.793 3.446 -11.922 574 HG SER 83 HG SER 83 3.560 3.093 -13.416 575 H GLY 84 H GLY 84 -1.148 4.070 -12.012 576 HA2 GLY 84 1HA GLY 84 -3.190 3.354 -12.867 577 HA3 GLY 84 2HA GLY 84 -2.528 3.454 -14.488 578 H LEU 85 H LEU 85 -1.274 1.642 -11.703 579 HA LEU 85 HA LEU 85 -1.037 -0.765 -13.227 580 HB2 LEU 85 1HB LEU 85 -0.832 -0.288 -10.244 581 HB3 LEU 85 2HB LEU 85 -0.517 -1.833 -11.011 582 HG LEU 85 HG LEU 85 1.305 -0.653 -12.351 583 HD11 LEU 85 1HD1 LEU 85 0.572 1.646 -11.968 584 HD12 LEU 85 2HD1 LEU 85 2.224 1.395 -11.403 585 HD13 LEU 85 3HD1 LEU 85 0.897 1.468 -10.241 586 HD21 LEU 85 1HD2 LEU 85 1.622 -0.827 -9.352 587 HD22 LEU 85 2HD2 LEU 85 2.928 -0.829 -10.536 588 HD23 LEU 85 3HD2 LEU 85 1.781 -2.167 -10.489 589 H VAL 86 H VAL 86 -3.335 0.508 -10.910 590 HA VAL 86 HA VAL 86 -5.254 -1.585 -11.654 591 HB VAL 86 HB VAL 86 -6.041 -1.731 -9.297 592 HG11 VAL 86 1HG1 VAL 86 -3.139 -2.493 -9.674 593 HG12 VAL 86 2HG1 VAL 86 -4.537 -3.449 -10.165 594 HG13 VAL 86 3HG1 VAL 86 -4.228 -3.156 -8.455 595 HG21 VAL 86 1HG2 VAL 86 -5.212 0.417 -8.480 596 HG22 VAL 86 2HG2 VAL 86 -3.548 -0.139 -8.660 597 HG23 VAL 86 3HG2 VAL 86 -4.609 -0.901 -7.475 598 H ASP 87 H ASP 87 -7.512 -0.936 -10.848 599 HA ASP 87 HA ASP 87 -8.127 1.675 -11.800 600 HB2 ASP 87 1HB ASP 87 -9.687 -0.282 -11.943 601 HB3 ASP 87 2HB ASP 87 -9.899 -0.198 -10.198 602 H ASP 88 H ASP 88 -8.228 0.174 -8.603 603 HA ASP 88 HA ASP 88 -7.195 2.496 -7.322 604 HB2 ASP 88 1HB ASP 88 -9.732 2.985 -7.608 605 HB3 ASP 88 2HB ASP 88 -9.975 1.733 -6.393 606 H ILE 89 H ILE 89 -7.603 1.979 -4.722 607 HA ILE 89 HA ILE 89 -6.758 -0.837 -4.442 608 HB ILE 89 HB ILE 89 -5.141 -0.192 -2.768 609 HG12 ILE 89 1HG1 ILE 89 -5.873 2.704 -3.298 610 HG13 ILE 89 2HG1 ILE 89 -6.479 1.786 -1.923 611 HG21 ILE 89 1HG2 ILE 89 -3.537 1.047 -4.141 612 HG22 ILE 89 2HG2 ILE 89 -4.837 1.533 -5.230 613 HG23 ILE 89 3HG2 ILE 89 -4.391 -0.167 -5.094 614 HD11 ILE 89 1HD1 ILE 89 -4.605 3.192 -1.302 615 HD12 ILE 89 2HD1 ILE 89 -3.590 2.388 -2.497 616 HD13 ILE 89 3HD1 ILE 89 -4.206 1.485 -1.113 617 H ARG 90 H ARG 90 -6.728 -1.435 -2.050 618 HA ARG 90 HA ARG 90 -8.491 0.039 -0.289 619 HB2 ARG 90 1HB ARG 90 -9.827 -1.728 -1.722 620 HB3 ARG 90 2HB ARG 90 -9.075 -2.897 -0.653 621 HG2 ARG 90 1HG ARG 90 -10.954 -0.667 0.101 622 HG3 ARG 90 2HG ARG 90 -11.276 -2.394 0.138 623 HD2 ARG 90 1HD ARG 90 -10.880 -1.993 2.363 624 HD3 ARG 90 2HD ARG 90 -9.254 -2.410 1.831 625 HE ARG 90 HE ARG 90 -9.051 0.167 1.585 626 HH11 ARG 90 1HH1 ARG 90 -10.817 -1.518 4.101 627 HH12 ARG 90 2HH1 ARG 90 -10.595 -0.258 5.269 628 HH21 ARG 90 1HH2 ARG 90 -8.766 1.829 3.112 629 HH22 ARG 90 2HH2 ARG 90 -9.420 1.649 4.705 630 H ILE 91 H ILE 91 -6.940 0.259 1.279 631 HA ILE 91 HA ILE 91 -5.322 -2.081 1.975 632 HB ILE 91 HB ILE 91 -5.111 0.790 2.903 633 HG12 ILE 91 1HG1 ILE 91 -3.416 -0.871 1.013 634 HG13 ILE 91 2HG1 ILE 91 -4.435 0.494 0.573 635 HG21 ILE 91 1HG2 ILE 91 -3.361 -1.589 3.543 636 HG22 ILE 91 2HG2 ILE 91 -4.380 -0.699 4.673 637 HG23 ILE 91 3HG2 ILE 91 -2.981 0.085 3.943 638 HD11 ILE 91 1HD1 ILE 91 -1.953 0.598 2.272 639 HD12 ILE 91 2HD1 ILE 91 -2.990 1.973 1.890 640 HD13 ILE 91 3HD1 ILE 91 -2.115 1.143 0.604 641 H ASN 92 H ASN 92 -6.453 -3.421 3.202 642 HA ASN 92 HA ASN 92 -8.253 -2.390 5.256 643 HB2 ASN 92 1HB ASN 92 -8.937 -4.723 5.565 644 HB3 ASN 92 2HB ASN 92 -9.022 -4.278 3.864 645 HD21 ASN 92 1HD2 ASN 92 -6.510 -7.192 5.138 646 HD22 ASN 92 2HD2 ASN 92 -7.399 -6.210 6.248 647 H TRP 93 H TRP 93 -7.922 -2.626 7.426 648 HA TRP 93 HA TRP 93 -5.156 -3.162 8.194 649 HB2 TRP 93 2HB TRP 93 -7.336 -2.001 9.943 650 HB3 TRP 93 1HB TRP 93 -5.588 -1.825 10.113 651 HD1 TRP 93 1HD TRP 93 -4.350 -0.171 8.308 652 HE1 TRP 93 1HE TRP 93 -5.266 1.837 6.978 653 HE3 TRP 93 3HE TRP 93 -9.361 -1.041 8.850 654 HZ2 TRP 93 2HZ TRP 93 -7.761 2.913 6.261 655 HZ3 TRP 93 3HZ TRP 93 -10.947 0.532 7.819 656 HH2 TRP 93 2HH TRP 93 -10.163 2.470 6.550 657 H VAL 94 H VAL 94 -4.800 -5.233 8.643 658 HA VAL 94 HA VAL 94 -6.793 -6.659 10.297 659 HB VAL 94 HB VAL 94 -6.854 -7.672 8.129 660 HG11 VAL 94 1HG1 VAL 94 -4.884 -8.594 7.000 661 HG12 VAL 94 2HG1 VAL 94 -3.850 -7.973 8.290 662 HG13 VAL 94 3HG1 VAL 94 -4.726 -6.854 7.244 663 HG21 VAL 94 1HG2 VAL 94 -6.941 -9.202 10.043 664 HG22 VAL 94 2HG2 VAL 94 -5.191 -9.405 9.964 665 HG23 VAL 94 3HG2 VAL 94 -6.206 -9.972 8.637 666 H TRP 95 H TRP 95 -6.102 -7.268 12.177 667 HA TRP 95 HA TRP 95 -3.328 -8.008 12.641 668 HB2 TRP 95 2HB TRP 95 -3.172 -6.490 14.617 669 HB3 TRP 95 1HB TRP 95 -3.283 -5.620 13.092 670 HD1 TRP 95 1HD TRP 95 -6.329 -5.387 12.616 671 HE1 TRP 95 1HE TRP 95 -7.846 -4.053 14.207 672 HE3 TRP 95 3HE TRP 95 -3.357 -5.412 16.779 673 HZ2 TRP 95 2HZ TRP 95 -7.782 -3.117 16.871 674 HZ3 TRP 95 3HZ TRP 95 -4.155 -4.269 18.805 675 HH2 TRP 95 2HH TRP 95 -6.322 -3.144 18.850 676 H ASN 96 H ASN 96 -6.294 -8.967 12.736 677 HA ASN 96 HA ASN 96 -5.978 -10.897 14.734 678 HB2 ASN 96 1HB ASN 96 -6.321 -9.111 16.356 679 HB3 ASN 96 2HB ASN 96 -7.800 -8.609 15.543 680 HD21 ASN 96 1HD2 ASN 96 -9.511 -10.510 17.907 681 HD22 ASN 96 2HD2 ASN 96 -9.139 -8.938 17.280 682 HA PRO 97 HA PRO 97 -10.464 -11.302 13.280 683 HB2 PRO 97 2HB PRO 97 -11.772 -9.373 11.949 684 HB3 PRO 97 1HB PRO 97 -11.551 -9.293 13.702 685 HG2 PRO 97 2HG PRO 97 -10.015 -7.895 11.538 686 HG3 PRO 97 1HG PRO 97 -10.619 -7.249 13.076 687 HD2 PRO 97 2HD PRO 97 -8.029 -8.071 12.673 688 HD3 PRO 97 1HD PRO 97 -8.827 -8.056 14.257 689 HA PRO 98 HA PRO 98 -9.464 -12.849 9.167 690 HB2 PRO 98 2HB PRO 98 -12.347 -13.629 9.216 691 HB3 PRO 98 1HB PRO 98 -10.919 -14.616 8.882 692 HG2 PRO 98 2HG PRO 98 -12.199 -14.840 11.205 693 HG3 PRO 98 1HG PRO 98 -10.426 -14.900 11.141 694 HD2 PRO 98 2HD PRO 98 -12.219 -12.639 11.968 695 HD3 PRO 98 1HD PRO 98 -10.683 -13.180 12.682 696 H TRP 99 H TRP 99 -10.023 -12.339 6.995 697 HA TRP 99 HA TRP 99 -10.616 -9.622 6.670 698 HB2 TRP 99 2HB TRP 99 -10.660 -11.738 4.502 699 HB3 TRP 99 1HB TRP 99 -10.371 -10.012 4.296 700 HD1 TRP 99 1HD TRP 99 -8.089 -9.296 6.144 701 HE1 TRP 99 1HE TRP 99 -5.773 -10.396 6.002 702 HE3 TRP 99 3HE TRP 99 -9.379 -13.606 3.716 703 HZ2 TRP 99 2HZ TRP 99 -4.636 -12.773 5.002 704 HZ3 TRP 99 3HZ TRP 99 -7.616 -15.243 3.199 705 HH2 TRP 99 2HH TRP 99 -5.290 -14.834 3.830 706 H GLY 100 H GLY 100 -12.483 -8.577 6.569 707 HA2 GLY 100 1HA GLY 100 -14.822 -9.894 5.370 708 HA3 GLY 100 2HA GLY 100 -14.973 -9.220 6.987 709 HA PRO 101 HA PRO 101 -16.395 -5.629 4.666 710 HB2 PRO 101 2HB PRO 101 -16.676 -3.971 6.841 711 HB3 PRO 101 1HB PRO 101 -17.874 -5.176 6.367 712 HG2 PRO 101 2HG PRO 101 -15.738 -5.353 8.463 713 HG3 PRO 101 1HG PRO 101 -17.431 -5.880 8.544 714 HD2 PRO 101 2HD PRO 101 -15.430 -7.628 8.116 715 HD3 PRO 101 1HD PRO 101 -17.018 -7.823 7.343 716 H ASP 102 H ASP 102 -13.623 -5.953 6.634 717 HA ASP 102 HA ASP 102 -12.439 -3.431 6.531 718 HB2 ASP 102 1HB ASP 102 -10.920 -6.042 6.289 719 HB3 ASP 102 2HB ASP 102 -10.364 -4.533 7.010 720 H LYS 103 H LYS 103 -12.877 -5.840 4.078 721 HA LYS 103 HA LYS 103 -10.839 -4.878 2.293 722 HB2 LYS 103 1HB LYS 103 -13.110 -6.846 1.960 723 HB3 LYS 103 2HB LYS 103 -12.003 -6.443 0.652 724 HG2 LYS 103 1HG LYS 103 -11.179 -7.619 3.306 725 HG3 LYS 103 2HG LYS 103 -11.432 -8.545 1.826 726 HD2 LYS 103 1HD LYS 103 -9.649 -7.207 0.729 727 HD3 LYS 103 2HD LYS 103 -9.366 -6.371 2.258 728 HE2 LYS 103 1HE LYS 103 -8.773 -8.517 3.312 729 HE3 LYS 103 2HE LYS 103 -9.043 -9.342 1.775 730 HZ1 LYS 103 1HZ LYS 103 -7.217 -8.146 0.809 731 HZ2 LYS 103 2HZ LYS 103 -6.676 -8.850 2.248 732 HZ3 LYS 103 3HZ LYS 103 -7.024 -7.200 2.194 733 H ILE 104 H ILE 104 -13.495 -3.334 3.247 734 HA ILE 104 HA ILE 104 -14.049 -2.162 0.594 735 HB ILE 104 HB ILE 104 -15.638 -1.864 3.161 736 HG12 ILE 104 1HG1 ILE 104 -15.816 -4.145 2.283 737 HG13 ILE 104 2HG1 ILE 104 -17.336 -3.286 2.058 738 HG21 ILE 104 1HG2 ILE 104 -15.849 0.094 1.728 739 HG22 ILE 104 2HG2 ILE 104 -17.355 -0.822 1.737 740 HG23 ILE 104 3HG2 ILE 104 -16.266 -0.930 0.355 741 HD11 ILE 104 1HD1 ILE 104 -15.255 -3.801 -0.057 742 HD12 ILE 104 2HD1 ILE 104 -16.764 -2.913 -0.293 743 HD13 ILE 104 3HD1 ILE 104 -16.805 -4.625 0.120 744 H THR 105 H THR 105 -13.446 -0.074 0.193 745 HA THR 105 HA THR 105 -11.639 1.258 1.908 746 HB THR 105 HB THR 105 -12.070 3.244 0.323 747 HG1 THR 105 1HG THR 105 -13.060 2.047 -1.720 748 HG21 THR 105 1HG2 THR 105 -10.168 1.703 0.051 749 HG22 THR 105 2HG2 THR 105 -10.805 2.241 -1.502 750 HG23 THR 105 3HG2 THR 105 -11.187 0.627 -0.905 751 H GLU 106 H GLU 106 -11.858 3.172 3.092 752 HA GLU 106 HA GLU 106 -14.330 3.712 4.369 753 HB2 GLU 106 1HB GLU 106 -12.188 4.233 5.435 754 HB3 GLU 106 2HB GLU 106 -11.801 5.377 4.158 755 HG2 GLU 106 1HG GLU 106 -13.707 6.775 4.858 756 HG3 GLU 106 2HG GLU 106 -14.034 5.640 6.168 757 H ASP 107 H ASP 107 -12.567 5.140 1.696 758 HA ASP 107 HA ASP 107 -14.149 7.367 1.139 759 HB2 ASP 107 1HB ASP 107 -12.860 5.611 -0.970 760 HB3 ASP 107 2HB ASP 107 -13.185 7.337 -1.068 761 H GLY 108 H GLY 108 -14.386 4.034 -0.053 762 HA2 GLY 108 1HA GLY 108 -16.604 4.403 -1.732 763 HA3 GLY 108 2HA GLY 108 -16.086 2.873 -1.044 764 H ARG 109 H ARG 109 -16.432 3.410 1.683 765 HA ARG 109 HA ARG 109 -19.173 2.801 1.935 766 HB2 ARG 109 1HB ARG 109 -17.305 2.131 3.529 767 HB3 ARG 109 2HB ARG 109 -17.399 3.760 4.192 768 HG2 ARG 109 1HG ARG 109 -19.757 3.367 4.783 769 HG3 ARG 109 2HG ARG 109 -19.633 1.728 4.143 770 HD2 ARG 109 1HD ARG 109 -17.800 1.307 5.801 771 HD3 ARG 109 2HD ARG 109 -18.154 2.886 6.503 772 HE ARG 109 HE ARG 109 -20.287 0.872 6.314 773 HH11 ARG 109 1HH1 ARG 109 -18.199 2.886 8.285 774 HH12 ARG 109 2HH1 ARG 109 -19.008 2.480 9.767 775 HH21 ARG 109 1HH2 ARG 109 -21.349 0.353 8.249 776 HH22 ARG 109 2HH2 ARG 109 -20.820 1.057 9.749 777 H GLU 110 H GLU 110 -17.356 5.795 2.498 778 HA GLU 110 HA GLU 110 -19.463 7.328 3.561 779 HB2 GLU 110 1HB GLU 110 -17.181 8.125 3.728 780 HB3 GLU 110 2HB GLU 110 -17.033 8.186 1.974 781 HG2 GLU 110 1HG GLU 110 -18.654 9.979 1.861 782 HG3 GLU 110 2HG GLU 110 -18.944 9.870 3.594 783 H GLN 111 H GLN 111 -18.582 6.528 0.288 784 HA GLN 111 HA GLN 111 -20.663 8.331 -0.753 785 HB2 GLN 111 1HB GLN 111 -18.470 6.980 -2.330 786 HB3 GLN 111 2HB GLN 111 -19.474 8.341 -2.822 787 HG2 GLN 111 1HG GLN 111 -18.437 9.666 -0.965 788 HG3 GLN 111 2HG GLN 111 -17.332 8.322 -0.705 789 HE21 GLN 111 1HE2 GLN 111 -16.160 8.963 -4.262 790 HE22 GLN 111 2HE2 GLN 111 -17.176 7.736 -3.598 791 H LEU 112 H LEU 112 -20.985 5.590 0.431 792 HA LEU 112 HA LEU 112 -21.859 3.938 -1.767 793 HB2 LEU 112 1HB LEU 112 -21.009 3.075 0.460 794 HB3 LEU 112 2HB LEU 112 -22.511 3.633 1.168 795 HG LEU 112 HG LEU 112 -23.766 2.083 -0.315 796 HD11 LEU 112 1HD1 LEU 112 -22.509 0.320 -1.503 797 HD12 LEU 112 2HD1 LEU 112 -21.007 1.166 -1.132 798 HD13 LEU 112 3HD1 LEU 112 -22.216 1.928 -2.165 799 HD21 LEU 112 1HD2 LEU 112 -23.151 0.026 0.853 800 HD22 LEU 112 2HD2 LEU 112 -23.159 1.399 1.957 801 HD23 LEU 112 3HD2 LEU 112 -21.629 0.756 1.363 802 H ARG 113 H ARG 113 -24.112 3.240 -1.994 803 HA ARG 113 HA ARG 113 -25.853 5.469 -2.209 804 HB2 ARG 113 1HB ARG 113 -26.515 2.519 -2.432 805 HB3 ARG 113 2HB ARG 113 -27.530 3.845 -2.984 806 HG2 ARG 113 1HG ARG 113 -25.778 4.490 -4.596 807 HG3 ARG 113 2HG ARG 113 -24.810 3.111 -4.069 808 HD2 ARG 113 1HD ARG 113 -27.547 2.996 -5.347 809 HD3 ARG 113 2HD ARG 113 -26.017 2.589 -6.124 810 HE ARG 113 HE ARG 113 -26.300 1.006 -3.824 811 HH11 ARG 113 1HH1 ARG 113 -27.764 1.394 -6.986 812 HH12 ARG 113 2HH1 ARG 113 -28.231 -0.272 -7.116 813 HH21 ARG 113 1HH2 ARG 113 -26.957 -1.183 -3.973 814 HH22 ARG 113 2HH2 ARG 113 -27.786 -1.733 -5.397 815 H ALA 114 H ALA 114 -25.453 2.927 0.141 816 HA ALA 114 HA ALA 114 -27.910 3.382 1.539 817 HB1 ALA 114 1HB ALA 114 -26.764 1.211 1.583 818 HB2 ALA 114 2HB ALA 114 -27.014 1.851 3.207 819 HB3 ALA 114 3HB ALA 114 -25.419 1.942 2.459 820 H LEU 115 H LEU 115 -25.112 5.181 1.328 821 HA LEU 115 HA LEU 115 -25.259 6.191 4.086 822 HB2 LEU 115 1HB LEU 115 -23.099 5.562 2.489 823 HB3 LEU 115 2HB LEU 115 -23.199 7.296 2.279 824 HG LEU 115 HG LEU 115 -21.618 6.714 4.047 825 HD11 LEU 115 1HD1 LEU 115 -24.096 8.001 5.191 826 HD12 LEU 115 2HD1 LEU 115 -22.843 8.820 4.260 827 HD13 LEU 115 3HD1 LEU 115 -22.459 8.126 5.835 828 HD21 LEU 115 1HD2 LEU 115 -23.978 5.431 5.428 829 HD22 LEU 115 2HD2 LEU 115 -22.382 5.681 6.141 830 HD23 LEU 115 3HD2 LEU 115 -22.572 4.597 4.760 831 H GLY 116 H GLY 116 -27.222 6.722 1.918 832 HA2 GLY 116 1HA GLY 116 -26.866 9.632 1.552 833 HA3 GLY 116 2HA GLY 116 -27.864 8.597 0.543 834 H PHE 117 H PHE 117 -27.579 9.639 3.944 835 HA PHE 117 HA PHE 117 -30.521 9.855 4.026 836 HB2 PHE 117 2HB PHE 117 -28.614 8.960 6.196 837 HB3 PHE 117 1HB PHE 117 -30.266 9.463 6.534 838 HD1 PHE 117 1HD PHE 117 -32.167 8.169 5.524 839 HD2 PHE 117 2HD PHE 117 -28.138 6.779 5.399 840 HE1 PHE 117 1HE PHE 117 -32.969 5.891 5.060 841 HE2 PHE 117 2HE PHE 117 -28.938 4.500 4.934 842 HZ PHE 117 HZ PHE 117 -31.354 4.054 4.765 843 H THR 118 H THR 118 -31.261 11.400 5.745 844 HA THR 118 HA THR 118 -29.914 13.926 5.351 845 HB THR 118 HB THR 118 -32.359 13.834 5.211 846 HG1 THR 118 1HG THR 118 -32.466 15.359 7.374 847 HG21 THR 118 1HG2 THR 118 -32.788 12.038 6.817 848 HG22 THR 118 2HG2 THR 118 -33.729 13.472 7.222 849 HG23 THR 118 3HG2 THR 118 -32.275 13.084 8.140 850 H VAL 119 H VAL 119 -29.166 15.287 7.018 851 HA VAL 119 HA VAL 119 -28.269 13.875 9.424 852 HB VAL 119 HB VAL 119 -26.472 14.926 8.203 853 HG11 VAL 119 1HG1 VAL 119 -27.709 16.625 6.985 854 HG12 VAL 119 2HG1 VAL 119 -26.348 17.355 7.834 855 HG13 VAL 119 3HG1 VAL 119 -27.982 17.529 8.473 856 HG21 VAL 119 1HG2 VAL 119 -26.326 14.939 10.653 857 HG22 VAL 119 2HG2 VAL 119 -27.072 16.538 10.690 858 HG23 VAL 119 3HG2 VAL 119 -25.489 16.318 9.944 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 17.007 -6.788 3.327 2 H2 GLY 1 2H GLY 1 18.527 -6.083 3.562 3 H3 GLY 1 3H GLY 1 17.128 -5.205 3.909 4 HA2 GLY 1 1HA GLY 1 18.058 -7.639 5.330 5 HA3 GLY 1 2HA GLY 1 18.160 -5.993 5.940 6 HA PRO 2 HA PRO 2 14.183 -6.724 7.834 7 HB2 PRO 2 2HB PRO 2 13.804 -3.789 7.730 8 HB3 PRO 2 1HB PRO 2 13.875 -4.863 9.131 9 HG2 PRO 2 2HG PRO 2 15.879 -3.168 8.561 10 HG3 PRO 2 1HG PRO 2 16.184 -4.771 9.256 11 HD2 PRO 2 2HD PRO 2 16.460 -3.855 6.410 12 HD3 PRO 2 1HD PRO 2 17.529 -4.909 7.363 13 H GLY 3 H GLY 3 12.492 -7.428 6.678 14 HA2 GLY 3 1HA GLY 3 10.494 -7.044 5.458 15 HA3 GLY 3 2HA GLY 3 11.235 -5.624 4.732 16 H SER 4 H SER 4 10.270 -8.704 4.137 17 HA SER 4 HA SER 4 12.319 -9.323 2.156 18 HB2 SER 4 1HB SER 4 11.278 -11.067 3.725 19 HB3 SER 4 2HB SER 4 9.811 -10.915 2.760 20 HG SER 4 HG SER 4 12.207 -12.146 2.177 21 H MET 5 H MET 5 12.113 -8.581 0.138 22 HA MET 5 HA MET 5 9.677 -7.279 -0.702 23 HB2 MET 5 1HB MET 5 12.298 -7.708 -2.159 24 HB3 MET 5 2HB MET 5 10.973 -6.714 -2.749 25 HG2 MET 5 1HG MET 5 11.222 -5.254 -0.778 26 HG3 MET 5 2HG MET 5 12.588 -6.235 -0.248 27 HE1 MET 5 1HE MET 5 15.129 -5.620 -3.220 28 HE2 MET 5 2HE MET 5 13.886 -6.870 -3.198 29 HE3 MET 5 3HE MET 5 14.819 -6.530 -1.740 30 H SER 6 H SER 6 8.654 -7.709 -2.752 31 HA SER 6 HA SER 6 8.972 -10.395 -3.862 32 HB2 SER 6 1HB SER 6 7.270 -10.655 -2.085 33 HB3 SER 6 2HB SER 6 6.318 -9.355 -2.801 34 HG SER 6 HG SER 6 6.570 -11.991 -3.552 35 H GLU 7 H GLU 7 6.996 -7.461 -3.917 36 HA GLU 7 HA GLU 7 6.286 -6.085 -5.559 37 HB2 GLU 7 1HB GLU 7 8.854 -6.788 -6.983 38 HB3 GLU 7 2HB GLU 7 7.977 -5.265 -7.022 39 HG2 GLU 7 1HG GLU 7 9.785 -6.365 -4.919 40 HG3 GLU 7 2HG GLU 7 9.737 -4.751 -5.630 41 H THR 8 H THR 8 5.420 -8.847 -5.875 42 HA THR 8 HA THR 8 5.450 -9.480 -8.661 43 HB THR 8 HB THR 8 3.427 -10.425 -6.610 44 HG1 THR 8 1HG THR 8 6.099 -11.187 -7.125 45 HG21 THR 8 1HG2 THR 8 2.826 -10.920 -8.934 46 HG22 THR 8 2HG2 THR 8 3.274 -12.398 -8.082 47 HG23 THR 8 3HG2 THR 8 4.412 -11.645 -9.200 48 H SER 9 H SER 9 4.845 -7.478 -9.629 49 HA SER 9 HA SER 9 2.090 -7.296 -10.271 50 HB2 SER 9 1HB SER 9 1.977 -6.179 -8.058 51 HB3 SER 9 2HB SER 9 3.206 -5.028 -8.575 52 HG SER 9 HG SER 9 1.750 -3.974 -9.691 53 H ALA 10 H ALA 10 1.734 -5.869 -12.037 54 HA ALA 10 HA ALA 10 2.200 -4.551 -13.821 55 HB1 ALA 10 1HB ALA 10 3.059 -2.941 -12.195 56 HB2 ALA 10 2HB ALA 10 3.995 -2.898 -13.689 57 HB3 ALA 10 3HB ALA 10 4.647 -3.709 -12.264 58 HA PRO 11 HA PRO 11 4.978 -6.876 -16.453 59 HB2 PRO 11 2HB PRO 11 5.486 -4.977 -18.380 60 HB3 PRO 11 1HB PRO 11 4.021 -5.961 -18.319 61 HG2 PRO 11 2HG PRO 11 4.452 -3.149 -17.403 62 HG3 PRO 11 1HG PRO 11 3.053 -3.859 -18.227 63 HD2 PRO 11 2HD PRO 11 3.077 -3.367 -15.567 64 HD3 PRO 11 1HD PRO 11 2.183 -4.726 -16.276 65 H ALA 12 H ALA 12 7.207 -6.596 -17.513 66 HA ALA 12 HA ALA 12 8.962 -6.502 -15.400 67 HB1 ALA 12 1HB ALA 12 9.667 -6.230 -18.317 68 HB2 ALA 12 2HB ALA 12 9.362 -7.743 -17.463 69 HB3 ALA 12 3HB ALA 12 10.752 -6.749 -17.025 70 H GLU 13 H GLU 13 9.118 -4.096 -18.100 71 HA GLU 13 HA GLU 13 11.078 -2.615 -16.625 72 HB2 GLU 13 1HB GLU 13 11.082 -1.031 -18.480 73 HB3 GLU 13 2HB GLU 13 11.176 -2.685 -19.064 74 HG2 GLU 13 1HG GLU 13 8.875 -2.649 -19.729 75 HG3 GLU 13 2HG GLU 13 8.637 -1.071 -18.980 76 H GLU 14 H GLU 14 7.631 -2.228 -17.226 77 HA GLU 14 HA GLU 14 7.266 0.323 -16.146 78 HB2 GLU 14 1HB GLU 14 5.469 -2.108 -16.175 79 HB3 GLU 14 2HB GLU 14 4.949 -0.571 -15.501 80 HG2 GLU 14 1HG GLU 14 4.111 -0.806 -17.741 81 HG3 GLU 14 2HG GLU 14 5.295 0.497 -17.685 82 H LEU 15 H LEU 15 7.292 -2.856 -14.593 83 HA LEU 15 HA LEU 15 6.797 -2.021 -11.966 84 HB2 LEU 15 1HB LEU 15 6.597 -4.344 -12.578 85 HB3 LEU 15 2HB LEU 15 8.288 -4.420 -13.037 86 HG LEU 15 HG LEU 15 8.933 -4.091 -10.666 87 HD11 LEU 15 1HD1 LEU 15 7.216 -4.318 -8.910 88 HD12 LEU 15 2HD1 LEU 15 5.961 -4.226 -10.148 89 HD13 LEU 15 3HD1 LEU 15 7.025 -2.849 -9.863 90 HD21 LEU 15 1HD2 LEU 15 7.044 -6.403 -11.132 91 HD22 LEU 15 2HD2 LEU 15 8.289 -6.317 -9.885 92 HD23 LEU 15 3HD2 LEU 15 8.747 -6.345 -11.587 93 H LEU 16 H LEU 16 9.847 -2.536 -13.708 94 HA LEU 16 HA LEU 16 11.639 -2.183 -11.625 95 HB2 LEU 16 1HB LEU 16 12.318 -2.912 -13.848 96 HB3 LEU 16 2HB LEU 16 11.896 -1.348 -14.520 97 HG LEU 16 HG LEU 16 13.698 -0.314 -13.139 98 HD11 LEU 16 1HD1 LEU 16 14.377 -3.184 -12.489 99 HD12 LEU 16 2HD1 LEU 16 13.861 -1.934 -11.356 100 HD13 LEU 16 3HD1 LEU 16 15.418 -1.794 -12.171 101 HD21 LEU 16 1HD2 LEU 16 14.088 -0.869 -15.476 102 HD22 LEU 16 2HD2 LEU 16 14.564 -2.507 -15.029 103 HD23 LEU 16 3HD2 LEU 16 15.550 -1.134 -14.527 104 H ALA 17 H ALA 17 10.587 0.334 -13.925 105 HA ALA 17 HA ALA 17 11.896 2.456 -12.611 106 HB1 ALA 17 1HB ALA 17 11.232 2.535 -14.967 107 HB2 ALA 17 2HB ALA 17 10.591 3.914 -14.074 108 HB3 ALA 17 3HB ALA 17 9.534 2.564 -14.491 109 H ASP 18 H ASP 18 8.494 1.408 -12.581 110 HA ASP 18 HA ASP 18 7.584 3.548 -10.991 111 HB2 ASP 18 1HB ASP 18 6.088 2.152 -12.403 112 HB3 ASP 18 2HB ASP 18 6.302 0.819 -11.266 113 H VAL 19 H VAL 19 8.651 0.269 -10.134 114 HA VAL 19 HA VAL 19 8.013 0.554 -7.372 115 HB VAL 19 HB VAL 19 8.455 -1.668 -8.623 116 HG11 VAL 19 1HG1 VAL 19 10.722 -2.551 -8.504 117 HG12 VAL 19 2HG1 VAL 19 11.306 -1.013 -7.863 118 HG13 VAL 19 3HG1 VAL 19 10.673 -1.101 -9.508 119 HG21 VAL 19 1HG2 VAL 19 7.982 -1.493 -6.218 120 HG22 VAL 19 2HG2 VAL 19 9.699 -1.242 -5.900 121 HG23 VAL 19 3HG2 VAL 19 9.140 -2.779 -6.561 122 H GLU 20 H GLU 20 10.891 1.178 -9.336 123 HA GLU 20 HA GLU 20 12.704 1.794 -7.311 124 HB2 GLU 20 1HB GLU 20 13.330 1.668 -9.679 125 HB3 GLU 20 2HB GLU 20 12.387 3.115 -10.020 126 HG2 GLU 20 1HG GLU 20 13.880 4.421 -8.580 127 HG3 GLU 20 2HG GLU 20 14.822 2.969 -8.244 128 H GLU 21 H GLU 21 10.301 3.869 -8.911 129 HA GLU 21 HA GLU 21 10.867 6.160 -7.285 130 HB2 GLU 21 1HB GLU 21 8.372 5.533 -8.885 131 HB3 GLU 21 2HB GLU 21 8.851 7.118 -8.281 132 HG2 GLU 21 1HG GLU 21 10.866 7.022 -9.684 133 HG3 GLU 21 2HG GLU 21 10.338 5.467 -10.316 134 H ALA 22 H ALA 22 8.453 3.599 -7.158 135 HA ALA 22 HA ALA 22 6.807 4.679 -5.160 136 HB1 ALA 22 1HB ALA 22 7.264 1.765 -5.821 137 HB2 ALA 22 2HB ALA 22 6.112 2.834 -6.621 138 HB3 ALA 22 3HB ALA 22 5.899 2.429 -4.918 139 H MET 23 H MET 23 9.723 2.735 -5.006 140 HA MET 23 HA MET 23 9.595 2.023 -2.290 141 HB2 MET 23 1HB MET 23 11.864 2.259 -4.255 142 HB3 MET 23 2HB MET 23 12.162 1.852 -2.573 143 HG2 MET 23 1HG MET 23 10.289 0.284 -4.333 144 HG3 MET 23 2HG MET 23 12.001 -0.095 -4.150 145 HE1 MET 23 1HE MET 23 11.252 -2.597 -3.384 146 HE2 MET 23 2HE MET 23 9.564 -2.124 -3.557 147 HE3 MET 23 3HE MET 23 10.113 -2.891 -2.069 148 H ARG 24 H ARG 24 10.113 5.075 -3.709 149 HA ARG 24 HA ARG 24 11.655 6.129 -1.474 150 HB2 ARG 24 1HB ARG 24 12.207 7.081 -3.591 151 HB3 ARG 24 2HB ARG 24 10.518 7.383 -3.981 152 HG2 ARG 24 1HG ARG 24 10.412 9.086 -2.228 153 HG3 ARG 24 2HG ARG 24 12.100 8.781 -1.821 154 HD2 ARG 24 1HD ARG 24 12.855 9.647 -3.895 155 HD3 ARG 24 2HD ARG 24 11.227 9.631 -4.578 156 HE ARG 24 HE ARG 24 10.670 11.434 -3.020 157 HH11 ARG 24 1HH1 ARG 24 14.075 10.864 -3.676 158 HH12 ARG 24 2HH1 ARG 24 14.555 12.470 -3.227 159 HH21 ARG 24 1HH2 ARG 24 11.299 13.526 -2.421 160 HH22 ARG 24 2HH2 ARG 24 12.968 13.996 -2.525 161 H ASP 25 H ASP 25 8.323 5.684 -2.248 162 HA ASP 25 HA ASP 25 7.559 7.870 -0.396 163 HB2 ASP 25 1HB ASP 25 6.925 8.176 -2.856 164 HB3 ASP 25 2HB ASP 25 5.834 6.814 -2.648 165 H VAL 26 H VAL 26 7.216 4.596 -1.348 166 HA VAL 26 HA VAL 26 4.980 3.960 0.329 167 HB VAL 26 HB VAL 26 6.947 2.314 -1.274 168 HG11 VAL 26 1HG1 VAL 26 4.629 1.282 0.350 169 HG12 VAL 26 2HG1 VAL 26 6.339 1.013 0.686 170 HG13 VAL 26 3HG1 VAL 26 5.613 0.341 -0.772 171 HG21 VAL 26 1HG2 VAL 26 5.269 3.555 -2.553 172 HG22 VAL 26 2HG2 VAL 26 3.983 2.816 -1.599 173 HG23 VAL 26 3HG2 VAL 26 4.980 1.818 -2.655 174 H VAL 27 H VAL 27 8.435 4.054 0.599 175 HA VAL 27 HA VAL 27 8.455 2.629 3.146 176 HB VAL 27 HB VAL 27 10.302 2.419 1.361 177 HG11 VAL 27 1HG1 VAL 27 11.133 5.079 2.530 178 HG12 VAL 27 2HG1 VAL 27 10.553 4.808 0.886 179 HG13 VAL 27 3HG1 VAL 27 12.077 4.093 1.412 180 HG21 VAL 27 1HG2 VAL 27 12.088 2.226 3.043 181 HG22 VAL 27 2HG2 VAL 27 10.572 1.525 3.607 182 HG23 VAL 27 3HG2 VAL 27 11.085 3.105 4.198 183 H ASP 28 H ASP 28 9.474 3.686 5.041 184 HA ASP 28 HA ASP 28 9.113 6.607 5.065 185 HB2 ASP 28 1HB ASP 28 7.884 5.393 6.829 186 HB3 ASP 28 2HB ASP 28 9.392 4.669 7.385 187 HA PRO 29 HA PRO 29 13.650 6.124 4.882 188 HB2 PRO 29 2HB PRO 29 14.165 8.228 3.297 189 HB3 PRO 29 1HB PRO 29 13.490 6.734 2.637 190 HG2 PRO 29 2HG PRO 29 12.102 9.300 3.312 191 HG3 PRO 29 1HG PRO 29 11.889 8.249 1.900 192 HD2 PRO 29 2HD PRO 29 10.239 8.239 4.114 193 HD3 PRO 29 1HD PRO 29 10.431 6.869 3.003 194 H GLU 30 H GLU 30 11.536 8.357 6.193 195 HA GLU 30 HA GLU 30 13.292 10.448 6.971 196 HB2 GLU 30 1HB GLU 30 10.659 9.632 8.222 197 HB3 GLU 30 2HB GLU 30 11.448 11.199 8.362 198 HG2 GLU 30 1HG GLU 30 10.290 9.981 5.860 199 HG3 GLU 30 2HG GLU 30 9.632 11.334 6.779 200 H LEU 31 H LEU 31 11.738 7.875 8.892 201 HA LEU 31 HA LEU 31 13.873 8.133 10.891 202 HB2 LEU 31 1HB LEU 31 11.250 6.629 10.996 203 HB3 LEU 31 2HB LEU 31 12.406 6.738 12.312 204 HG LEU 31 HG LEU 31 10.887 9.065 11.114 205 HD11 LEU 31 1HD1 LEU 31 9.416 7.624 12.386 206 HD12 LEU 31 2HD1 LEU 31 9.714 9.116 13.275 207 HD13 LEU 31 3HD1 LEU 31 10.538 7.631 13.746 208 HD21 LEU 31 1HD2 LEU 31 11.810 10.358 12.982 209 HD22 LEU 31 2HD2 LEU 31 13.079 9.749 11.922 210 HD23 LEU 31 3HD2 LEU 31 12.776 8.964 13.472 211 H GLY 32 H GLY 32 12.738 6.102 8.357 212 HA2 GLY 32 1HA GLY 32 14.193 4.598 7.264 213 HA3 GLY 32 2HA GLY 32 15.112 4.424 8.749 214 H ILE 33 H ILE 33 11.663 3.983 7.949 215 HA ILE 33 HA ILE 33 11.925 1.133 8.709 216 HB ILE 33 HB ILE 33 9.449 2.814 9.216 217 HG12 ILE 33 1HG1 ILE 33 10.066 2.278 11.693 218 HG13 ILE 33 2HG1 ILE 33 11.696 2.030 11.073 219 HG21 ILE 33 1HG2 ILE 33 8.960 0.475 8.790 220 HG22 ILE 33 2HG2 ILE 33 8.688 0.846 10.494 221 HG23 ILE 33 3HG2 ILE 33 10.144 -0.018 10.002 222 HD11 ILE 33 1HD1 ILE 33 11.707 4.323 10.221 223 HD12 ILE 33 2HD1 ILE 33 11.421 4.263 11.961 224 HD13 ILE 33 3HD1 ILE 33 10.079 4.560 10.855 225 H ASN 34 H ASN 34 10.903 -0.317 7.358 226 HA ASN 34 HA ASN 34 9.495 0.829 5.037 227 HB2 ASN 34 1HB ASN 34 10.111 -1.117 3.761 228 HB3 ASN 34 2HB ASN 34 11.568 -0.501 4.527 229 HD21 ASN 34 1HD2 ASN 34 12.146 -3.355 6.442 230 HD22 ASN 34 2HD2 ASN 34 12.549 -1.702 6.153 231 H VAL 35 H VAL 35 7.462 0.122 4.553 232 HA VAL 35 HA VAL 35 5.828 -0.657 6.667 233 HB VAL 35 HB VAL 35 5.280 -0.825 3.694 234 HG11 VAL 35 1HG1 VAL 35 3.350 -0.865 6.021 235 HG12 VAL 35 2HG1 VAL 35 3.675 -2.190 4.902 236 HG13 VAL 35 3HG1 VAL 35 2.895 -0.719 4.323 237 HG21 VAL 35 1HG2 VAL 35 4.201 1.363 3.997 238 HG22 VAL 35 2HG2 VAL 35 5.907 1.425 4.439 239 HG23 VAL 35 3HG2 VAL 35 4.672 1.364 5.697 240 H VAL 36 H VAL 36 7.375 -2.580 4.176 241 HA VAL 36 HA VAL 36 5.986 -4.987 4.494 242 HB VAL 36 HB VAL 36 8.910 -4.690 3.751 243 HG11 VAL 36 1HG1 VAL 36 8.316 -6.996 4.224 244 HG12 VAL 36 2HG1 VAL 36 8.539 -6.784 2.488 245 HG13 VAL 36 3HG1 VAL 36 6.912 -6.882 3.161 246 HG21 VAL 36 1HG2 VAL 36 8.156 -4.585 1.423 247 HG22 VAL 36 2HG2 VAL 36 7.503 -3.241 2.362 248 HG23 VAL 36 3HG2 VAL 36 6.475 -4.616 1.957 249 H ASP 37 H ASP 37 8.387 -3.466 6.481 250 HA ASP 37 HA ASP 37 9.453 -5.660 7.850 251 HB2 ASP 37 1HB ASP 37 10.394 -3.401 8.023 252 HB3 ASP 37 2HB ASP 37 8.954 -2.850 8.871 253 H LEU 38 H LEU 38 6.338 -4.121 8.122 254 HA LEU 38 HA LEU 38 5.668 -5.095 10.723 255 HB2 LEU 38 1HB LEU 38 4.010 -4.077 8.415 256 HB3 LEU 38 2HB LEU 38 3.270 -4.670 9.890 257 HG LEU 38 HG LEU 38 4.480 -2.923 11.179 258 HD11 LEU 38 1HD1 LEU 38 5.329 -1.888 8.473 259 HD12 LEU 38 2HD1 LEU 38 6.393 -2.596 9.688 260 HD13 LEU 38 3HD1 LEU 38 5.567 -1.072 10.020 261 HD21 LEU 38 1HD2 LEU 38 2.193 -2.537 10.435 262 HD22 LEU 38 2HD2 LEU 38 2.783 -1.886 8.906 263 HD23 LEU 38 3HD2 LEU 38 3.119 -1.036 10.414 264 H GLY 39 H GLY 39 5.963 -6.579 7.703 265 HA2 GLY 39 1HA GLY 39 5.599 -8.701 6.936 266 HA3 GLY 39 2HA GLY 39 5.576 -9.173 8.625 267 H LEU 40 H LEU 40 3.174 -6.914 7.625 268 HA LEU 40 HA LEU 40 1.133 -9.023 7.657 269 HB2 LEU 40 1HB LEU 40 1.142 -6.585 8.866 270 HB3 LEU 40 2HB LEU 40 0.349 -6.164 7.363 271 HG LEU 40 HG LEU 40 -1.279 -6.641 9.121 272 HD11 LEU 40 1HD1 LEU 40 -2.680 -8.251 7.968 273 HD12 LEU 40 2HD1 LEU 40 -1.297 -8.808 7.023 274 HD13 LEU 40 3HD1 LEU 40 -1.904 -7.164 6.815 275 HD21 LEU 40 1HD2 LEU 40 0.043 -8.174 10.468 276 HD22 LEU 40 2HD2 LEU 40 -0.064 -9.404 9.205 277 HD23 LEU 40 3HD2 LEU 40 -1.517 -8.888 10.062 278 H VAL 41 H VAL 41 2.897 -6.984 5.582 279 HA VAL 41 HA VAL 41 1.029 -6.527 3.514 280 HB VAL 41 HB VAL 41 4.046 -6.570 3.251 281 HG11 VAL 41 1HG1 VAL 41 2.901 -6.411 1.117 282 HG12 VAL 41 2HG1 VAL 41 3.664 -4.869 1.507 283 HG13 VAL 41 3HG1 VAL 41 1.923 -5.070 1.711 284 HG21 VAL 41 1HG2 VAL 41 4.016 -4.204 3.873 285 HG22 VAL 41 2HG2 VAL 41 3.393 -5.207 5.182 286 HG23 VAL 41 3HG2 VAL 41 2.277 -4.293 4.167 287 H TYR 42 H TYR 42 2.477 -9.396 4.448 288 HA TYR 42 HA TYR 42 2.802 -10.676 1.937 289 HB2 TYR 42 2HB TYR 42 2.617 -11.554 4.770 290 HB3 TYR 42 1HB TYR 42 2.140 -12.752 3.570 291 HD1 TYR 42 1HD TYR 42 3.754 -13.753 2.093 292 HD2 TYR 42 2HD TYR 42 4.956 -10.711 4.826 293 HE1 TYR 42 1HE TYR 42 6.107 -14.315 1.671 294 HE2 TYR 42 2HE TYR 42 7.319 -11.268 4.409 295 HH TYR 42 HH TYR 42 8.646 -13.199 3.615 296 H GLY 43 H GLY 43 0.070 -9.709 3.746 297 HA2 GLY 43 1HA GLY 43 -1.777 -11.372 2.208 298 HA3 GLY 43 2HA GLY 43 -2.195 -10.264 3.510 299 H LEU 44 H LEU 44 -2.115 -10.688 0.178 300 HA LEU 44 HA LEU 44 -3.396 -8.207 -0.285 301 HB2 LEU 44 1HB LEU 44 -1.708 -7.332 -1.954 302 HB3 LEU 44 2HB LEU 44 -1.275 -7.171 -0.266 303 HG LEU 44 HG LEU 44 0.153 -9.278 -0.573 304 HD11 LEU 44 1HD1 LEU 44 0.935 -9.716 -2.868 305 HD12 LEU 44 2HD1 LEU 44 -0.305 -8.621 -3.484 306 HD13 LEU 44 3HD1 LEU 44 -0.770 -10.104 -2.650 307 HD21 LEU 44 1HD2 LEU 44 1.118 -7.057 -0.346 308 HD22 LEU 44 2HD2 LEU 44 0.888 -6.758 -2.070 309 HD23 LEU 44 3HD2 LEU 44 2.020 -8.001 -1.534 310 H ASP 45 H ASP 45 -4.364 -8.093 -2.324 311 HA ASP 45 HA ASP 45 -3.772 -9.985 -4.383 312 HB2 ASP 45 1HB ASP 45 -5.111 -11.347 -2.698 313 HB3 ASP 45 2HB ASP 45 -6.475 -10.288 -3.043 314 H VAL 46 H VAL 46 -4.122 -8.891 -6.197 315 HA VAL 46 HA VAL 46 -6.079 -6.705 -6.201 316 HB VAL 46 HB VAL 46 -3.907 -5.987 -6.930 317 HG11 VAL 46 1HG1 VAL 46 -2.748 -6.966 -8.856 318 HG12 VAL 46 2HG1 VAL 46 -3.998 -8.205 -8.976 319 HG13 VAL 46 3HG1 VAL 46 -2.957 -8.137 -7.554 320 HG21 VAL 46 1HG2 VAL 46 -5.737 -6.299 -9.317 321 HG22 VAL 46 2HG2 VAL 46 -4.390 -5.165 -9.201 322 HG23 VAL 46 3HG2 VAL 46 -5.780 -4.997 -8.128 323 H GLN 47 H GLN 47 -8.007 -7.064 -7.041 324 HA GLN 47 HA GLN 47 -8.297 -9.247 -9.009 325 HB2 GLN 47 1HB GLN 47 -10.616 -9.500 -8.215 326 HB3 GLN 47 2HB GLN 47 -9.444 -9.778 -6.932 327 HG2 GLN 47 1HG GLN 47 -9.886 -7.607 -5.987 328 HG3 GLN 47 2HG GLN 47 -10.952 -7.200 -7.331 329 HE21 GLN 47 1HE2 GLN 47 -12.837 -8.412 -4.294 330 HE22 GLN 47 2HE2 GLN 47 -11.536 -7.292 -4.483 331 H ASP 48 H ASP 48 -9.321 -8.847 -10.885 332 HA ASP 48 HA ASP 48 -9.820 -6.046 -11.535 333 HB2 ASP 48 1HB ASP 48 -9.818 -6.779 -13.864 334 HB3 ASP 48 2HB ASP 48 -8.385 -7.384 -13.043 335 H GLY 49 H GLY 49 -11.745 -5.394 -12.641 336 HA2 GLY 49 1HA GLY 49 -14.026 -7.191 -12.608 337 HA3 GLY 49 2HA GLY 49 -14.106 -5.840 -11.485 338 H ASP 50 H ASP 50 -15.962 -6.197 -13.519 339 HA ASP 50 HA ASP 50 -15.409 -4.757 -15.880 340 HB2 ASP 50 1HB ASP 50 -17.313 -6.296 -15.680 341 HB3 ASP 50 2HB ASP 50 -18.059 -5.239 -14.486 342 H GLU 51 H GLU 51 -16.374 -3.793 -12.686 343 HA GLU 51 HA GLU 51 -17.019 -1.081 -13.399 344 HB2 GLU 51 1HB GLU 51 -16.371 -2.140 -10.638 345 HB3 GLU 51 2HB GLU 51 -17.271 -0.685 -11.038 346 HG2 GLU 51 1HG GLU 51 -18.952 -2.133 -10.431 347 HG3 GLU 51 2HG GLU 51 -18.933 -2.323 -12.182 348 H GLY 52 H GLY 52 -14.185 -2.869 -12.583 349 HA2 GLY 52 1HA GLY 52 -12.249 -1.237 -13.436 350 HA3 GLY 52 2HA GLY 52 -12.612 -0.532 -11.866 351 H THR 53 H THR 53 -10.114 -1.497 -12.371 352 HA THR 53 HA THR 53 -9.921 -4.146 -11.152 353 HB THR 53 HB THR 53 -7.675 -2.344 -12.098 354 HG1 THR 53 1HG THR 53 -8.841 -2.718 -13.914 355 HG21 THR 53 1HG2 THR 53 -6.966 -4.173 -10.620 356 HG22 THR 53 2HG2 THR 53 -6.412 -4.455 -12.270 357 HG23 THR 53 3HG2 THR 53 -7.804 -5.339 -11.644 358 H VAL 54 H VAL 54 -9.666 -4.349 -8.987 359 HA VAL 54 HA VAL 54 -8.774 -1.967 -7.485 360 HB VAL 54 HB VAL 54 -11.133 -2.411 -7.072 361 HG11 VAL 54 1HG1 VAL 54 -11.191 -4.795 -7.585 362 HG12 VAL 54 2HG1 VAL 54 -11.890 -4.480 -5.996 363 HG13 VAL 54 3HG1 VAL 54 -10.262 -5.146 -6.126 364 HG21 VAL 54 1HG2 VAL 54 -9.433 -3.174 -4.690 365 HG22 VAL 54 2HG2 VAL 54 -11.081 -2.546 -4.631 366 HG23 VAL 54 3HG2 VAL 54 -9.772 -1.529 -5.235 367 H ALA 55 H ALA 55 -7.103 -2.147 -6.169 368 HA ALA 55 HA ALA 55 -5.838 -4.782 -5.818 369 HB1 ALA 55 1HB ALA 55 -3.833 -3.543 -5.216 370 HB2 ALA 55 2HB ALA 55 -4.727 -2.021 -5.268 371 HB3 ALA 55 3HB ALA 55 -4.474 -2.948 -6.748 372 H LEU 56 H LEU 56 -6.291 -5.831 -3.980 373 HA LEU 56 HA LEU 56 -7.091 -4.326 -1.593 374 HB2 LEU 56 1HB LEU 56 -7.081 -7.321 -2.020 375 HB3 LEU 56 2HB LEU 56 -7.859 -6.446 -0.714 376 HG LEU 56 HG LEU 56 -8.652 -6.353 -3.627 377 HD11 LEU 56 1HD1 LEU 56 -9.987 -7.657 -1.250 378 HD12 LEU 56 2HD1 LEU 56 -9.231 -8.476 -2.623 379 HD13 LEU 56 3HD1 LEU 56 -10.689 -7.510 -2.860 380 HD21 LEU 56 1HD2 LEU 56 -9.077 -4.212 -2.568 381 HD22 LEU 56 2HD2 LEU 56 -9.887 -5.001 -1.215 382 HD23 LEU 56 3HD2 LEU 56 -10.600 -5.057 -2.832 383 H ILE 57 H ILE 57 -5.562 -3.826 -0.165 384 HA ILE 57 HA ILE 57 -3.224 -5.613 0.120 385 HB ILE 57 HB ILE 57 -3.355 -2.657 0.788 386 HG12 ILE 57 1HG1 ILE 57 -3.526 -2.991 -1.647 387 HG13 ILE 57 2HG1 ILE 57 -1.971 -2.289 -1.214 388 HG21 ILE 57 1HG2 ILE 57 -0.922 -2.825 0.995 389 HG22 ILE 57 2HG2 ILE 57 -1.002 -4.551 0.644 390 HG23 ILE 57 3HG2 ILE 57 -1.733 -3.916 2.117 391 HD11 ILE 57 1HD1 ILE 57 -0.915 -4.471 -1.454 392 HD12 ILE 57 2HD1 ILE 57 -1.736 -3.984 -2.936 393 HD13 ILE 57 3HD1 ILE 57 -2.474 -5.184 -1.874 394 H ASP 58 H ASP 58 -3.263 -6.742 1.966 395 HA ASP 58 HA ASP 58 -4.957 -5.886 4.182 396 HB2 ASP 58 1HB ASP 58 -3.296 -8.408 3.847 397 HB3 ASP 58 2HB ASP 58 -4.444 -8.104 5.146 398 H MET 59 H MET 59 -4.175 -4.710 5.811 399 HA MET 59 HA MET 59 -1.344 -4.901 6.550 400 HB2 MET 59 1HB MET 59 -2.758 -2.359 5.727 401 HB3 MET 59 2HB MET 59 -1.273 -2.363 6.667 402 HG2 MET 59 1HG MET 59 -0.148 -3.563 4.830 403 HG3 MET 59 2HG MET 59 -1.634 -3.452 3.886 404 HE1 MET 59 1HE MET 59 1.094 -1.373 5.796 405 HE2 MET 59 2HE MET 59 -0.411 -0.635 6.347 406 HE3 MET 59 3HE MET 59 0.690 0.273 5.310 407 H THR 60 H THR 60 -0.898 -3.574 8.532 408 HA THR 60 HA THR 60 -3.194 -2.932 10.194 409 HB THR 60 HB THR 60 -2.593 -5.325 10.725 410 HG1 THR 60 1HG THR 60 -3.349 -4.775 12.608 411 HG21 THR 60 1HG2 THR 60 -0.550 -5.767 12.001 412 HG22 THR 60 2HG2 THR 60 -0.038 -4.093 11.789 413 HG23 THR 60 3HG2 THR 60 -0.157 -5.161 10.391 414 H LEU 61 H LEU 61 -2.216 -1.998 12.375 415 HA LEU 61 HA LEU 61 0.001 -0.215 11.585 416 HB2 LEU 61 1HB LEU 61 -2.216 0.282 13.591 417 HB3 LEU 61 2HB LEU 61 -0.885 1.373 13.279 418 HG LEU 61 HG LEU 61 -2.752 2.263 12.125 419 HD11 LEU 61 1HD1 LEU 61 -0.695 2.356 10.835 420 HD12 LEU 61 2HD1 LEU 61 -2.089 2.186 9.772 421 HD13 LEU 61 3HD1 LEU 61 -1.059 0.794 10.102 422 HD21 LEU 61 1HD2 LEU 61 -4.108 0.995 10.530 423 HD22 LEU 61 2HD2 LEU 61 -4.195 0.306 12.152 424 HD23 LEU 61 3HD2 LEU 61 -3.199 -0.469 10.916 425 H THR 62 H THR 62 1.555 0.330 13.199 426 HA THR 62 HA THR 62 2.786 -1.834 14.309 427 HB THR 62 HB THR 62 4.051 -0.152 15.736 428 HG1 THR 62 1HG THR 62 3.512 2.007 15.492 429 HG21 THR 62 1HG2 THR 62 3.738 0.469 12.788 430 HG22 THR 62 2HG2 THR 62 4.808 -0.750 13.480 431 HG23 THR 62 3HG2 THR 62 5.095 0.959 13.805 432 H SER 63 H SER 63 0.912 0.576 16.167 433 HA SER 63 HA SER 63 0.762 -1.347 18.396 434 HB2 SER 63 1HB SER 63 1.681 0.892 18.930 435 HB3 SER 63 2HB SER 63 0.181 1.634 18.375 436 HG SER 63 HG SER 63 -0.518 -0.193 20.129 437 H ALA 64 H ALA 64 -0.975 -0.517 15.770 438 HA ALA 64 HA ALA 64 -3.130 -0.668 15.084 439 HB1 ALA 64 1HB ALA 64 -3.543 -2.258 17.618 440 HB2 ALA 64 2HB ALA 64 -2.927 -2.907 16.099 441 HB3 ALA 64 3HB ALA 64 -4.571 -2.276 16.185 442 H ALA 65 H ALA 65 -2.277 1.267 17.478 443 HA ALA 65 HA ALA 65 -4.998 2.343 17.859 444 HB1 ALA 65 1HB ALA 65 -2.617 2.606 19.707 445 HB2 ALA 65 2HB ALA 65 -4.029 1.582 19.978 446 HB3 ALA 65 3HB ALA 65 -4.202 3.337 19.959 447 H CYS 66 H CYS 66 -1.894 2.794 16.610 448 HA CYS 66 HA CYS 66 -1.944 5.689 16.586 449 HB2 CYS 66 2HB CYS 66 0.237 5.297 15.286 450 HB3 CYS 66 1HB CYS 66 0.198 4.781 16.968 451 HG CYS 66 HG CYS 66 1.617 2.946 15.298 452 HA PRO 67 HA PRO 67 -4.220 5.426 12.708 453 HB2 PRO 67 2HB PRO 67 -4.284 8.353 12.770 454 HB3 PRO 67 1HB PRO 67 -5.617 7.206 12.928 455 HG2 PRO 67 2HG PRO 67 -4.740 8.714 15.002 456 HG3 PRO 67 1HG PRO 67 -5.424 7.092 15.221 457 HD2 PRO 67 2HD PRO 67 -2.540 7.940 15.166 458 HD3 PRO 67 1HD PRO 67 -3.360 6.811 16.269 459 H LEU 68 H LEU 68 -1.925 4.789 11.918 460 HA LEU 68 HA LEU 68 -0.774 6.871 10.205 461 HB2 LEU 68 1HB LEU 68 0.042 4.046 10.873 462 HB3 LEU 68 2HB LEU 68 0.747 4.885 9.509 463 HG LEU 68 HG LEU 68 2.217 5.003 11.436 464 HD11 LEU 68 1HD1 LEU 68 2.275 6.867 9.902 465 HD12 LEU 68 2HD1 LEU 68 2.532 7.439 11.550 466 HD13 LEU 68 3HD1 LEU 68 0.965 7.667 10.772 467 HD21 LEU 68 1HD2 LEU 68 -0.046 6.424 12.843 468 HD22 LEU 68 2HD2 LEU 68 1.593 6.216 13.460 469 HD23 LEU 68 3HD2 LEU 68 0.562 4.809 13.212 470 H THR 69 H THR 69 -3.461 5.269 10.032 471 HA THR 69 HA THR 69 -3.385 3.724 7.705 472 HB THR 69 HB THR 69 -5.264 3.646 9.307 473 HG1 THR 69 1HG THR 69 -6.218 4.389 6.728 474 HG21 THR 69 1HG2 THR 69 -6.083 6.299 8.106 475 HG22 THR 69 2HG2 THR 69 -5.494 6.056 9.751 476 HG23 THR 69 3HG2 THR 69 -7.026 5.341 9.246 477 H ASP 70 H ASP 70 -3.858 7.186 8.188 478 HA ASP 70 HA ASP 70 -4.720 7.900 5.627 479 HB2 ASP 70 1HB ASP 70 -2.875 9.545 7.389 480 HB3 ASP 70 2HB ASP 70 -3.981 10.149 6.159 481 H VAL 71 H VAL 71 -1.405 7.798 6.942 482 HA VAL 71 HA VAL 71 -0.200 8.591 4.515 483 HB VAL 71 HB VAL 71 0.954 8.910 6.654 484 HG11 VAL 71 1HG1 VAL 71 0.317 6.864 7.803 485 HG12 VAL 71 2HG1 VAL 71 2.070 7.048 7.788 486 HG13 VAL 71 3HG1 VAL 71 1.293 5.913 6.686 487 HG21 VAL 71 1HG2 VAL 71 2.489 7.143 4.740 488 HG22 VAL 71 2HG2 VAL 71 3.197 8.235 5.932 489 HG23 VAL 71 3HG2 VAL 71 2.255 8.884 4.590 490 H ILE 72 H ILE 72 -0.650 5.342 5.998 491 HA ILE 72 HA ILE 72 0.773 3.969 3.980 492 HB ILE 72 HB ILE 72 -0.270 1.933 4.711 493 HG12 ILE 72 1HG1 ILE 72 -2.103 3.669 6.385 494 HG13 ILE 72 2HG1 ILE 72 -2.584 2.769 4.950 495 HG21 ILE 72 1HG2 ILE 72 0.369 1.999 7.077 496 HG22 ILE 72 2HG2 ILE 72 0.372 3.761 7.027 497 HG23 ILE 72 3HG2 ILE 72 1.534 2.850 6.064 498 HD11 ILE 72 1HD1 ILE 72 -1.574 1.609 7.525 499 HD12 ILE 72 2HD1 ILE 72 -1.986 0.689 6.081 500 HD13 ILE 72 3HD1 ILE 72 -3.237 1.588 6.940 501 H GLU 73 H GLU 73 -2.615 4.903 4.224 502 HA GLU 73 HA GLU 73 -3.526 3.530 1.934 503 HB2 GLU 73 1HB GLU 73 -4.580 5.866 3.507 504 HB3 GLU 73 2HB GLU 73 -5.373 5.364 2.020 505 HG2 GLU 73 1HG GLU 73 -5.672 3.117 2.956 506 HG3 GLU 73 2HG GLU 73 -4.931 3.655 4.464 507 H ASP 74 H ASP 74 -2.292 6.821 2.417 508 HA ASP 74 HA ASP 74 -2.758 7.611 -0.275 509 HB2 ASP 74 1HB ASP 74 -2.420 9.200 1.661 510 HB3 ASP 74 2HB ASP 74 -0.697 8.822 1.585 511 H GLN 75 H GLN 75 0.044 6.267 1.417 512 HA GLN 75 HA GLN 75 1.927 6.376 -0.634 513 HB2 GLN 75 1HB GLN 75 1.513 4.293 1.526 514 HB3 GLN 75 2HB GLN 75 2.907 4.304 0.454 515 HG2 GLN 75 1HG GLN 75 3.607 6.452 1.314 516 HG3 GLN 75 2HG GLN 75 2.156 6.555 2.312 517 HE21 GLN 75 1HE2 GLN 75 5.200 5.286 4.187 518 HE22 GLN 75 2HE2 GLN 75 5.001 6.577 3.058 519 H SER 76 H SER 76 -0.337 3.746 0.165 520 HA SER 76 HA SER 76 0.238 2.094 -2.022 521 HB2 SER 76 1HB SER 76 -2.394 2.386 -0.538 522 HB3 SER 76 2HB SER 76 -1.916 1.012 -1.537 523 HG SER 76 HG SER 76 -0.814 1.867 0.925 524 H ARG 77 H ARG 77 -2.367 4.488 -1.608 525 HA ARG 77 HA ARG 77 -3.613 4.220 -4.074 526 HB2 ARG 77 1HB ARG 77 -4.474 5.521 -2.144 527 HB3 ARG 77 2HB ARG 77 -3.265 6.754 -2.440 528 HG2 ARG 77 1HG ARG 77 -5.301 6.031 -4.532 529 HG3 ARG 77 2HG ARG 77 -5.676 7.165 -3.237 530 HD2 ARG 77 1HD ARG 77 -3.512 7.444 -5.331 531 HD3 ARG 77 2HD ARG 77 -4.997 8.385 -5.209 532 HE ARG 77 HE ARG 77 -3.671 8.763 -2.819 533 HH11 ARG 77 1HH1 ARG 77 -3.047 9.418 -6.221 534 HH12 ARG 77 2HH1 ARG 77 -1.981 10.747 -5.882 535 HH21 ARG 77 1HH2 ARG 77 -2.262 10.521 -2.409 536 HH22 ARG 77 2HH2 ARG 77 -1.531 11.360 -3.744 537 H SER 78 H SER 78 -0.961 6.443 -3.200 538 HA SER 78 HA SER 78 -0.955 7.984 -5.489 539 HB2 SER 78 1HB SER 78 1.372 7.236 -3.698 540 HB3 SER 78 2HB SER 78 1.427 8.509 -4.917 541 HG SER 78 HG SER 78 0.047 8.425 -2.480 542 H ALA 79 H ALA 79 1.096 5.114 -4.832 543 HA ALA 79 HA ALA 79 2.208 5.212 -7.473 544 HB1 ALA 79 1HB ALA 79 3.293 3.098 -6.864 545 HB2 ALA 79 2HB ALA 79 2.311 3.017 -5.400 546 HB3 ALA 79 3HB ALA 79 3.490 4.316 -5.602 547 H LEU 80 H LEU 80 -0.170 3.077 -5.847 548 HA LEU 80 HA LEU 80 -0.278 1.168 -7.886 549 HB2 LEU 80 1HB LEU 80 -2.350 1.911 -5.823 550 HB3 LEU 80 2HB LEU 80 -2.507 0.528 -6.892 551 HG LEU 80 HG LEU 80 -0.317 0.930 -4.840 552 HD11 LEU 80 1HD1 LEU 80 -1.364 -0.948 -3.670 553 HD12 LEU 80 2HD1 LEU 80 -2.659 -0.976 -4.869 554 HD13 LEU 80 3HD1 LEU 80 -2.467 0.422 -3.810 555 HD21 LEU 80 1HD2 LEU 80 0.319 -1.386 -5.389 556 HD22 LEU 80 2HD2 LEU 80 0.530 -0.293 -6.754 557 HD23 LEU 80 3HD2 LEU 80 -0.855 -1.383 -6.705 558 H VAL 81 H VAL 81 -2.227 4.084 -7.412 559 HA VAL 81 HA VAL 81 -3.681 3.544 -9.885 560 HB VAL 81 HB VAL 81 -4.733 4.599 -7.805 561 HG11 VAL 81 1HG1 VAL 81 -3.408 7.081 -8.878 562 HG12 VAL 81 2HG1 VAL 81 -3.003 6.271 -7.368 563 HG13 VAL 81 3HG1 VAL 81 -4.589 7.011 -7.571 564 HG21 VAL 81 1HG2 VAL 81 -6.245 6.001 -9.139 565 HG22 VAL 81 2HG2 VAL 81 -5.886 4.475 -9.945 566 HG23 VAL 81 3HG2 VAL 81 -5.093 5.959 -10.473 567 H GLY 82 H GLY 82 -0.859 5.236 -8.820 568 HA2 GLY 82 1HA GLY 82 -1.137 7.474 -10.641 569 HA3 GLY 82 2HA GLY 82 0.242 7.122 -9.609 570 H SER 83 H SER 83 0.305 4.357 -10.656 571 HA SER 83 HA SER 83 1.980 4.900 -12.976 572 HB2 SER 83 1HB SER 83 2.615 3.328 -11.077 573 HB3 SER 83 2HB SER 83 1.389 2.222 -11.690 574 HG SER 83 HG SER 83 3.899 2.760 -12.620 575 H GLY 84 H GLY 84 -1.231 4.169 -12.377 576 HA2 GLY 84 1HA GLY 84 -2.967 3.716 -13.835 577 HA3 GLY 84 2HA GLY 84 -1.791 3.535 -15.130 578 H LEU 85 H LEU 85 -1.322 1.758 -12.206 579 HA LEU 85 HA LEU 85 -1.440 -0.733 -13.607 580 HB2 LEU 85 1HB LEU 85 -1.188 -0.193 -10.637 581 HB3 LEU 85 2HB LEU 85 -0.899 -1.734 -11.424 582 HG LEU 85 HG LEU 85 0.734 0.787 -11.796 583 HD11 LEU 85 1HD1 LEU 85 1.098 -0.306 -9.637 584 HD12 LEU 85 2HD1 LEU 85 2.512 -0.451 -10.681 585 HD13 LEU 85 3HD1 LEU 85 1.432 -1.831 -10.459 586 HD21 LEU 85 1HD2 LEU 85 2.241 -0.634 -13.132 587 HD22 LEU 85 2HD2 LEU 85 0.651 -0.463 -13.872 588 HD23 LEU 85 3HD2 LEU 85 1.072 -1.952 -13.026 589 H VAL 86 H VAL 86 -3.324 0.666 -10.922 590 HA VAL 86 HA VAL 86 -5.580 -1.071 -11.701 591 HB VAL 86 HB VAL 86 -6.261 -1.225 -9.355 592 HG11 VAL 86 1HG1 VAL 86 -4.825 -2.975 -10.284 593 HG12 VAL 86 2HG1 VAL 86 -4.514 -2.738 -8.565 594 HG13 VAL 86 3HG1 VAL 86 -3.394 -2.085 -9.759 595 HG21 VAL 86 1HG2 VAL 86 -4.759 -0.483 -7.551 596 HG22 VAL 86 2HG2 VAL 86 -5.343 0.873 -8.515 597 HG23 VAL 86 3HG2 VAL 86 -3.701 0.266 -8.747 598 H ASP 87 H ASP 87 -7.691 -0.221 -10.925 599 HA ASP 87 HA ASP 87 -7.883 2.621 -11.521 600 HB2 ASP 87 1HB ASP 87 -10.040 0.540 -11.028 601 HB3 ASP 87 2HB ASP 87 -10.333 2.199 -11.540 602 H ASP 88 H ASP 88 -8.758 0.369 -8.933 603 HA ASP 88 HA ASP 88 -8.758 2.602 -7.022 604 HB2 ASP 88 1HB ASP 88 -10.948 0.559 -7.413 605 HB3 ASP 88 2HB ASP 88 -10.730 1.382 -5.873 606 H ILE 89 H ILE 89 -8.805 1.732 -4.726 607 HA ILE 89 HA ILE 89 -7.358 -0.821 -4.478 608 HB ILE 89 HB ILE 89 -5.810 0.131 -2.851 609 HG12 ILE 89 1HG1 ILE 89 -6.962 2.852 -3.534 610 HG13 ILE 89 2HG1 ILE 89 -7.353 1.955 -2.072 611 HG21 ILE 89 1HG2 ILE 89 -4.424 1.513 -4.340 612 HG22 ILE 89 2HG2 ILE 89 -5.788 1.684 -5.444 613 HG23 ILE 89 3HG2 ILE 89 -5.071 0.096 -5.168 614 HD11 ILE 89 1HD1 ILE 89 -4.629 2.961 -2.859 615 HD12 ILE 89 2HD1 ILE 89 -4.999 2.025 -1.412 616 HD13 ILE 89 3HD1 ILE 89 -5.684 3.636 -1.617 617 H ARG 90 H ARG 90 -7.173 -1.393 -2.086 618 HA ARG 90 HA ARG 90 -8.919 -0.115 -0.214 619 HB2 ARG 90 1HB ARG 90 -10.650 -1.403 -1.243 620 HB3 ARG 90 2HB ARG 90 -9.651 -2.850 -1.259 621 HG2 ARG 90 1HG ARG 90 -11.397 -2.884 0.487 622 HG3 ARG 90 2HG ARG 90 -9.763 -3.029 1.138 623 HD2 ARG 90 1HD ARG 90 -9.809 -0.590 1.626 624 HD3 ARG 90 2HD ARG 90 -11.490 -0.558 1.099 625 HE ARG 90 HE ARG 90 -11.251 -2.533 3.052 626 HH11 ARG 90 1HH1 ARG 90 -10.937 0.968 2.861 627 HH12 ARG 90 2HH1 ARG 90 -11.427 1.208 4.504 628 HH21 ARG 90 1HH2 ARG 90 -11.847 -2.207 5.207 629 HH22 ARG 90 2HH2 ARG 90 -11.960 -0.593 5.839 630 H ILE 91 H ILE 91 -7.719 -0.137 1.573 631 HA ILE 91 HA ILE 91 -5.910 -2.384 2.085 632 HB ILE 91 HB ILE 91 -6.134 0.321 3.428 633 HG12 ILE 91 1HG1 ILE 91 -4.030 -0.892 1.609 634 HG13 ILE 91 2HG1 ILE 91 -5.114 0.439 1.217 635 HG21 ILE 91 1HG2 ILE 91 -4.202 -1.930 4.017 636 HG22 ILE 91 2HG2 ILE 91 -5.492 -1.360 5.076 637 HG23 ILE 91 3HG2 ILE 91 -4.129 -0.307 4.705 638 HD11 ILE 91 1HD1 ILE 91 -2.905 1.271 1.683 639 HD12 ILE 91 2HD1 ILE 91 -2.900 0.474 3.258 640 HD13 ILE 91 3HD1 ILE 91 -4.018 1.803 2.944 641 H ASN 92 H ASN 92 -6.477 -3.941 3.408 642 HA ASN 92 HA ASN 92 -8.819 -3.653 5.144 643 HB2 ASN 92 1HB ASN 92 -8.770 -5.637 3.742 644 HB3 ASN 92 2HB ASN 92 -7.163 -6.058 4.323 645 HD21 ASN 92 1HD2 ASN 92 -8.728 -8.264 6.489 646 HD22 ASN 92 2HD2 ASN 92 -7.686 -8.027 5.128 647 H TRP 93 H TRP 93 -8.457 -2.999 7.187 648 HA TRP 93 HA TRP 93 -5.801 -3.237 8.337 649 HB2 TRP 93 2HB TRP 93 -8.315 -2.072 9.570 650 HB3 TRP 93 1HB TRP 93 -6.664 -1.857 10.147 651 HD1 TRP 93 1HD TRP 93 -4.992 -0.463 8.334 652 HE1 TRP 93 1HE TRP 93 -5.605 1.555 6.849 653 HE3 TRP 93 3HE TRP 93 -10.085 -0.949 8.338 654 HZ2 TRP 93 2HZ TRP 93 -7.921 2.773 5.825 655 HZ3 TRP 93 3HZ TRP 93 -11.423 0.691 7.083 656 HH2 TRP 93 2HH TRP 93 -10.363 2.513 5.853 657 H VAL 94 H VAL 94 -5.280 -5.154 9.120 658 HA VAL 94 HA VAL 94 -7.330 -6.923 10.217 659 HB VAL 94 HB VAL 94 -4.407 -7.526 9.687 660 HG11 VAL 94 1HG1 VAL 94 -5.454 -9.082 11.247 661 HG12 VAL 94 2HG1 VAL 94 -5.143 -9.879 9.705 662 HG13 VAL 94 3HG1 VAL 94 -6.777 -9.357 10.114 663 HG21 VAL 94 1HG2 VAL 94 -5.152 -8.562 7.585 664 HG22 VAL 94 2HG2 VAL 94 -5.488 -6.831 7.614 665 HG23 VAL 94 3HG2 VAL 94 -6.793 -7.988 7.887 666 H TRP 95 H TRP 95 -7.621 -7.069 12.336 667 HA TRP 95 HA TRP 95 -5.418 -6.364 14.159 668 HB2 TRP 95 2HB TRP 95 -8.396 -6.377 14.738 669 HB3 TRP 95 1HB TRP 95 -7.120 -5.797 15.809 670 HD1 TRP 95 1HD TRP 95 -5.528 -3.772 14.359 671 HE1 TRP 95 1HE TRP 95 -6.512 -1.674 13.245 672 HE3 TRP 95 3HE TRP 95 -10.363 -5.337 13.808 673 HZ2 TRP 95 2HZ TRP 95 -9.004 -0.797 12.259 674 HZ3 TRP 95 3HZ TRP 95 -11.986 -3.808 12.765 675 HH2 TRP 95 2HH TRP 95 -11.319 -1.583 12.006 676 H ASN 96 H ASN 96 -7.467 -8.881 13.079 677 HA ASN 96 HA ASN 96 -6.208 -10.906 14.529 678 HB2 ASN 96 1HB ASN 96 -7.371 -9.950 16.486 679 HB3 ASN 96 2HB ASN 96 -8.915 -10.149 15.675 680 HD21 ASN 96 1HD2 ASN 96 -8.102 -12.945 18.095 681 HD22 ASN 96 2HD2 ASN 96 -7.935 -11.228 18.213 682 HA PRO 97 HA PRO 97 -10.219 -12.813 12.606 683 HB2 PRO 97 2HB PRO 97 -11.805 -11.190 11.071 684 HB3 PRO 97 1HB PRO 97 -12.063 -11.453 12.799 685 HG2 PRO 97 2HG PRO 97 -10.672 -9.181 11.422 686 HG3 PRO 97 1HG PRO 97 -11.848 -9.128 12.750 687 HD2 PRO 97 2HD PRO 97 -9.214 -8.883 13.208 688 HD3 PRO 97 1HD PRO 97 -10.274 -9.749 14.342 689 HA PRO 98 HA PRO 98 -8.204 -13.501 8.694 690 HB2 PRO 98 2HB PRO 98 -10.135 -15.022 7.459 691 HB3 PRO 98 1HB PRO 98 -9.013 -15.650 8.671 692 HG2 PRO 98 2HG PRO 98 -11.851 -14.743 9.002 693 HG3 PRO 98 1HG PRO 98 -11.040 -16.160 9.700 694 HD2 PRO 98 2HD PRO 98 -11.466 -13.922 11.133 695 HD3 PRO 98 1HD PRO 98 -10.004 -14.905 11.355 696 H TRP 99 H TRP 99 -8.387 -12.972 6.452 697 HA TRP 99 HA TRP 99 -9.572 -10.442 6.047 698 HB2 TRP 99 2HB TRP 99 -8.496 -12.306 3.919 699 HB3 TRP 99 1HB TRP 99 -8.611 -10.551 3.840 700 HD1 TRP 99 1HD TRP 99 -7.269 -9.733 6.554 701 HE1 TRP 99 1HE TRP 99 -4.758 -10.138 6.946 702 HE3 TRP 99 3HE TRP 99 -6.477 -13.382 3.065 703 HZ2 TRP 99 2HZ TRP 99 -2.713 -11.783 5.919 704 HZ3 TRP 99 3HZ TRP 99 -4.217 -14.319 2.828 705 HH2 TRP 99 2HH TRP 99 -2.370 -13.536 4.224 706 H GLY 100 H GLY 100 -11.503 -9.850 5.188 707 HA2 GLY 100 1HA GLY 100 -13.043 -11.667 3.546 708 HA3 GLY 100 2HA GLY 100 -13.706 -11.414 5.150 709 HA PRO 101 HA PRO 101 -16.133 -8.447 2.939 710 HB2 PRO 101 2HB PRO 101 -17.369 -7.279 5.098 711 HB3 PRO 101 1HB PRO 101 -17.836 -8.840 4.414 712 HG2 PRO 101 2HG PRO 101 -16.100 -8.253 6.789 713 HG3 PRO 101 1HG PRO 101 -17.383 -9.467 6.614 714 HD2 PRO 101 2HD PRO 101 -14.787 -10.141 6.418 715 HD3 PRO 101 1HD PRO 101 -16.022 -10.916 5.403 716 H ASP 102 H ASP 102 -14.154 -7.346 5.672 717 HA ASP 102 HA ASP 102 -14.524 -4.592 5.321 718 HB2 ASP 102 1HB ASP 102 -13.486 -5.668 7.337 719 HB3 ASP 102 2HB ASP 102 -12.020 -5.913 6.394 720 H LYS 103 H LYS 103 -12.883 -6.800 3.355 721 HA LYS 103 HA LYS 103 -10.901 -5.007 2.307 722 HB2 LYS 103 1HB LYS 103 -11.899 -7.614 1.134 723 HB3 LYS 103 2HB LYS 103 -10.409 -6.774 0.715 724 HG2 LYS 103 1HG LYS 103 -9.708 -7.068 3.129 725 HG3 LYS 103 2HG LYS 103 -11.092 -8.143 3.307 726 HD2 LYS 103 1HD LYS 103 -9.090 -9.440 2.898 727 HD3 LYS 103 2HD LYS 103 -10.177 -9.581 1.515 728 HE2 LYS 103 1HE LYS 103 -8.828 -8.204 0.175 729 HE3 LYS 103 2HE LYS 103 -7.979 -7.528 1.564 730 HZ1 LYS 103 1HZ LYS 103 -6.840 -9.579 1.896 731 HZ2 LYS 103 2HZ LYS 103 -6.654 -9.144 0.274 732 HZ3 LYS 103 3HZ LYS 103 -7.749 -10.358 0.697 733 H ILE 104 H ILE 104 -14.107 -4.791 2.093 734 HA ILE 104 HA ILE 104 -14.159 -3.846 -0.680 735 HB ILE 104 HB ILE 104 -16.331 -3.837 1.435 736 HG12 ILE 104 1HG1 ILE 104 -15.953 -5.646 -0.975 737 HG13 ILE 104 2HG1 ILE 104 -15.675 -6.111 0.699 738 HG21 ILE 104 1HG2 ILE 104 -16.698 -2.048 -0.156 739 HG22 ILE 104 2HG2 ILE 104 -17.861 -3.340 -0.451 740 HG23 ILE 104 3HG2 ILE 104 -16.462 -3.156 -1.509 741 HD11 ILE 104 1HD1 ILE 104 -18.322 -5.308 -0.495 742 HD12 ILE 104 2HD1 ILE 104 -18.045 -5.767 1.185 743 HD13 ILE 104 3HD1 ILE 104 -17.802 -6.947 -0.102 744 H THR 105 H THR 105 -13.529 -1.799 -1.122 745 HA THR 105 HA THR 105 -12.819 0.184 0.562 746 HB THR 105 HB THR 105 -14.161 0.976 -1.987 747 HG1 THR 105 1HG THR 105 -11.793 0.029 -2.672 748 HG21 THR 105 1HG2 THR 105 -12.827 2.585 -0.719 749 HG22 THR 105 2HG2 THR 105 -12.063 2.222 -2.266 750 HG23 THR 105 3HG2 THR 105 -11.445 1.493 -0.786 751 H GLU 106 H GLU 106 -13.784 2.326 0.871 752 HA GLU 106 HA GLU 106 -15.904 2.214 2.608 753 HB2 GLU 106 1HB GLU 106 -14.917 4.597 1.029 754 HB3 GLU 106 2HB GLU 106 -15.894 4.682 2.490 755 HG2 GLU 106 1HG GLU 106 -14.136 3.836 3.834 756 HG3 GLU 106 2HG GLU 106 -13.195 3.354 2.422 757 H ASP 107 H ASP 107 -15.973 3.029 -0.834 758 HA ASP 107 HA ASP 107 -18.516 4.161 -0.990 759 HB2 ASP 107 1HB ASP 107 -17.080 2.507 -3.091 760 HB3 ASP 107 2HB ASP 107 -18.455 3.566 -3.395 761 H GLY 108 H GLY 108 -17.520 0.776 -1.124 762 HA2 GLY 108 1HA GLY 108 -20.080 -0.269 -1.824 763 HA3 GLY 108 2HA GLY 108 -18.722 -1.184 -1.190 764 H ARG 109 H ARG 109 -18.596 0.627 1.178 765 HA ARG 109 HA ARG 109 -20.263 -0.970 2.864 766 HB2 ARG 109 1HB ARG 109 -18.464 1.391 3.415 767 HB3 ARG 109 2HB ARG 109 -19.333 0.530 4.676 768 HG2 ARG 109 1HG ARG 109 -17.298 -0.698 2.817 769 HG3 ARG 109 2HG ARG 109 -17.003 -0.201 4.487 770 HD2 ARG 109 1HD ARG 109 -18.981 -2.304 3.588 771 HD3 ARG 109 2HD ARG 109 -17.412 -2.612 4.331 772 HE ARG 109 HE ARG 109 -18.437 -1.199 6.252 773 HH11 ARG 109 1HH1 ARG 109 -20.187 -3.475 4.241 774 HH12 ARG 109 2HH1 ARG 109 -21.295 -3.929 5.499 775 HH21 ARG 109 1HH2 ARG 109 -19.902 -1.784 7.898 776 HH22 ARG 109 2HH2 ARG 109 -21.137 -2.964 7.575 777 H GLU 110 H GLU 110 -20.191 2.509 2.083 778 HA GLU 110 HA GLU 110 -22.640 2.959 3.552 779 HB2 GLU 110 1HB GLU 110 -20.750 4.728 2.031 780 HB3 GLU 110 2HB GLU 110 -22.337 5.324 2.497 781 HG2 GLU 110 1HG GLU 110 -20.649 5.992 4.103 782 HG3 GLU 110 2HG GLU 110 -21.825 4.911 4.843 783 H GLN 111 H GLN 111 -21.701 2.607 0.177 784 HA GLN 111 HA GLN 111 -24.521 3.047 -0.580 785 HB2 GLN 111 1HB GLN 111 -22.088 3.619 -2.291 786 HB3 GLN 111 2HB GLN 111 -23.767 3.937 -2.714 787 HG2 GLN 111 1HG GLN 111 -23.887 5.521 -0.793 788 HG3 GLN 111 2HG GLN 111 -22.160 5.275 -0.545 789 HE21 GLN 111 1HE2 GLN 111 -23.513 7.662 -3.530 790 HE22 GLN 111 2HE2 GLN 111 -24.582 6.684 -2.591 791 H LEU 112 H LEU 112 -25.218 0.977 -0.624 792 HA LEU 112 HA LEU 112 -23.805 -1.079 -2.091 793 HB2 LEU 112 1HB LEU 112 -26.529 -1.005 -0.772 794 HB3 LEU 112 2HB LEU 112 -25.918 -2.405 -1.630 795 HG LEU 112 HG LEU 112 -25.639 -2.751 0.736 796 HD11 LEU 112 1HD1 LEU 112 -22.974 -2.139 -0.538 797 HD12 LEU 112 2HD1 LEU 112 -23.891 -3.634 -0.716 798 HD13 LEU 112 3HD1 LEU 112 -23.243 -3.181 0.860 799 HD21 LEU 112 1HD2 LEU 112 -24.230 -1.299 2.129 800 HD22 LEU 112 2HD2 LEU 112 -25.637 -0.439 1.505 801 HD23 LEU 112 3HD2 LEU 112 -24.052 -0.177 0.776 802 H ARG 113 H ARG 113 -24.997 -2.282 -3.861 803 HA ARG 113 HA ARG 113 -25.691 -0.544 -5.960 804 HB2 ARG 113 1HB ARG 113 -26.091 -3.514 -5.613 805 HB3 ARG 113 2HB ARG 113 -26.565 -2.664 -7.078 806 HG2 ARG 113 1HG ARG 113 -24.167 -1.865 -7.239 807 HG3 ARG 113 2HG ARG 113 -23.795 -3.023 -5.960 808 HD2 ARG 113 1HD ARG 113 -23.394 -3.873 -8.283 809 HD3 ARG 113 2HD ARG 113 -24.491 -4.861 -7.319 810 HE ARG 113 HE ARG 113 -26.325 -4.012 -8.582 811 HH11 ARG 113 1HH1 ARG 113 -23.180 -3.165 -9.895 812 HH12 ARG 113 2HH1 ARG 113 -23.817 -2.728 -11.450 813 HH21 ARG 113 1HH2 ARG 113 -27.157 -3.411 -10.588 814 HH22 ARG 113 2HH2 ARG 113 -26.091 -2.854 -11.842 815 H ALA 114 H ALA 114 -27.584 -2.180 -3.536 816 HA ALA 114 HA ALA 114 -30.165 -1.848 -4.512 817 HB1 ALA 114 1HB ALA 114 -29.626 -3.117 -2.487 818 HB2 ALA 114 2HB ALA 114 -30.889 -1.927 -2.174 819 HB3 ALA 114 3HB ALA 114 -29.234 -1.618 -1.645 820 H LEU 115 H LEU 115 -27.917 0.509 -3.375 821 HA LEU 115 HA LEU 115 -29.890 2.600 -2.959 822 HB2 LEU 115 1HB LEU 115 -27.418 2.112 -1.893 823 HB3 LEU 115 2HB LEU 115 -27.007 3.288 -3.122 824 HG LEU 115 HG LEU 115 -28.990 3.712 -0.870 825 HD11 LEU 115 1HD1 LEU 115 -26.218 4.839 -1.287 826 HD12 LEU 115 2HD1 LEU 115 -26.680 3.632 -0.086 827 HD13 LEU 115 3HD1 LEU 115 -27.325 5.269 0.019 828 HD21 LEU 115 1HD2 LEU 115 -27.999 5.650 -2.968 829 HD22 LEU 115 2HD2 LEU 115 -29.033 6.049 -1.596 830 HD23 LEU 115 3HD2 LEU 115 -29.625 4.975 -2.860 831 H GLY 116 H GLY 116 -29.194 1.186 -5.649 832 HA2 GLY 116 1HA GLY 116 -28.223 3.115 -7.447 833 HA3 GLY 116 2HA GLY 116 -29.313 1.798 -7.859 834 H PHE 117 H PHE 117 -29.098 5.106 -6.783 835 HA PHE 117 HA PHE 117 -31.809 5.636 -6.361 836 HB2 PHE 117 2HB PHE 117 -31.182 8.005 -6.485 837 HB3 PHE 117 1HB PHE 117 -30.014 7.092 -5.538 838 HD1 PHE 117 1HD PHE 117 -27.775 6.589 -6.482 839 HD2 PHE 117 2HD PHE 117 -30.554 9.105 -8.511 840 HE1 PHE 117 1HE PHE 117 -25.954 7.467 -7.887 841 HE2 PHE 117 2HE PHE 117 -28.736 9.981 -9.916 842 HZ PHE 117 HZ PHE 117 -26.436 9.162 -9.607 843 H THR 118 H THR 118 -33.400 6.537 -7.593 844 HA THR 118 HA THR 118 -33.194 6.238 -10.467 845 HB THR 118 HB THR 118 -35.502 7.196 -8.746 846 HG1 THR 118 1HG THR 118 -34.849 4.651 -9.867 847 HG21 THR 118 1HG2 THR 118 -36.896 6.742 -10.729 848 HG22 THR 118 2HG2 THR 118 -35.443 6.383 -11.661 849 HG23 THR 118 3HG2 THR 118 -35.713 8.013 -11.041 850 H VAL 119 H VAL 119 -32.785 7.855 -11.857 851 HA VAL 119 HA VAL 119 -32.809 10.620 -10.839 852 HB VAL 119 HB VAL 119 -30.563 9.947 -11.447 853 HG11 VAL 119 1HG1 VAL 119 -31.073 8.119 -12.974 854 HG12 VAL 119 2HG1 VAL 119 -29.952 9.259 -13.717 855 HG13 VAL 119 3HG1 VAL 119 -31.653 9.268 -14.182 856 HG21 VAL 119 1HG2 VAL 119 -30.027 11.672 -13.105 857 HG22 VAL 119 2HG2 VAL 119 -31.204 12.253 -11.926 858 HG23 VAL 119 3HG2 VAL 119 -31.733 11.783 -13.540 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 14.930 -6.056 4.897 2 H2 GLY 1 2H GLY 1 15.745 -7.527 4.744 3 H3 GLY 1 3H GLY 1 15.258 -6.983 6.270 4 HA2 GLY 1 1HA GLY 1 13.799 -8.734 5.474 5 HA3 GLY 1 2HA GLY 1 12.950 -7.208 5.677 6 HA PRO 2 HA PRO 2 12.307 -8.986 1.326 7 HB2 PRO 2 2HB PRO 2 9.576 -9.114 1.483 8 HB3 PRO 2 1HB PRO 2 10.638 -10.456 1.922 9 HG2 PRO 2 2HG PRO 2 9.316 -8.430 3.698 10 HG3 PRO 2 1HG PRO 2 9.462 -10.185 3.920 11 HD2 PRO 2 2HD PRO 2 11.078 -8.458 5.207 12 HD3 PRO 2 1HD PRO 2 11.663 -10.038 4.644 13 H GLY 3 H GLY 3 12.068 -7.562 -0.322 14 HA2 GLY 3 1HA GLY 3 11.554 -4.814 0.200 15 HA3 GLY 3 2HA GLY 3 11.777 -5.546 -1.382 16 H SER 4 H SER 4 9.907 -3.479 -0.731 17 HA SER 4 HA SER 4 7.288 -4.482 -0.381 18 HB2 SER 4 1HB SER 4 6.634 -2.211 -1.338 19 HB3 SER 4 2HB SER 4 7.678 -2.174 0.083 20 HG SER 4 HG SER 4 8.934 -2.211 -2.400 21 H MET 5 H MET 5 5.878 -5.343 -1.785 22 HA MET 5 HA MET 5 6.786 -6.147 -4.367 23 HB2 MET 5 1HB MET 5 4.085 -6.397 -3.033 24 HB3 MET 5 2HB MET 5 4.461 -7.081 -4.607 25 HG2 MET 5 1HG MET 5 5.911 -7.791 -2.062 26 HG3 MET 5 2HG MET 5 4.554 -8.700 -2.717 27 HE1 MET 5 1HE MET 5 8.889 -8.718 -4.236 28 HE2 MET 5 2HE MET 5 8.339 -8.313 -2.611 29 HE3 MET 5 3HE MET 5 8.056 -7.194 -3.942 30 H SER 6 H SER 6 6.353 -5.367 -6.299 31 HA SER 6 HA SER 6 4.250 -3.617 -7.015 32 HB2 SER 6 1HB SER 6 5.365 -1.839 -5.881 33 HB3 SER 6 2HB SER 6 6.953 -2.382 -6.417 34 HG SER 6 HG SER 6 4.992 -0.929 -7.819 35 H GLU 7 H GLU 7 7.560 -4.612 -7.567 36 HA GLU 7 HA GLU 7 7.411 -4.568 -10.427 37 HB2 GLU 7 1HB GLU 7 9.598 -6.074 -9.983 38 HB3 GLU 7 2HB GLU 7 9.611 -4.324 -9.854 39 HG2 GLU 7 1HG GLU 7 10.781 -5.375 -7.986 40 HG3 GLU 7 2HG GLU 7 9.380 -4.455 -7.443 41 H THR 8 H THR 8 5.246 -5.867 -9.958 42 HA THR 8 HA THR 8 5.840 -8.746 -10.164 43 HB THR 8 HB THR 8 3.268 -7.480 -9.182 44 HG1 THR 8 1HG THR 8 5.591 -8.361 -7.829 45 HG21 THR 8 1HG2 THR 8 2.961 -9.722 -10.114 46 HG22 THR 8 2HG2 THR 8 2.768 -9.754 -8.361 47 HG23 THR 8 3HG2 THR 8 4.260 -10.341 -9.097 48 H SER 9 H SER 9 6.077 -8.707 -12.407 49 HA SER 9 HA SER 9 5.371 -9.184 -14.503 50 HB2 SER 9 1HB SER 9 3.724 -10.588 -13.239 51 HB3 SER 9 2HB SER 9 2.576 -9.255 -13.333 52 HG SER 9 HG SER 9 2.644 -9.432 -15.599 53 H ALA 10 H ALA 10 5.121 -6.316 -13.279 54 HA ALA 10 HA ALA 10 3.218 -5.080 -15.087 55 HB1 ALA 10 1HB ALA 10 5.182 -3.815 -13.166 56 HB2 ALA 10 2HB ALA 10 3.499 -4.200 -12.813 57 HB3 ALA 10 3HB ALA 10 3.887 -2.979 -14.025 58 HA PRO 11 HA PRO 11 5.930 -4.328 -18.526 59 HB2 PRO 11 2HB PRO 11 5.179 -1.738 -19.179 60 HB3 PRO 11 1HB PRO 11 4.311 -3.194 -19.673 61 HG2 PRO 11 2HG PRO 11 3.755 -1.337 -17.390 62 HG3 PRO 11 1HG PRO 11 2.613 -2.104 -18.513 63 HD2 PRO 11 2HD PRO 11 2.957 -3.048 -16.032 64 HD3 PRO 11 1HD PRO 11 2.711 -4.153 -17.402 65 H ALA 12 H ALA 12 8.019 -3.708 -18.669 66 HA ALA 12 HA ALA 12 9.429 -2.884 -16.480 67 HB1 ALA 12 1HB ALA 12 10.269 -2.526 -19.355 68 HB2 ALA 12 2HB ALA 12 10.425 -4.004 -18.404 69 HB3 ALA 12 3HB ALA 12 11.342 -2.567 -17.952 70 H GLU 13 H GLU 13 8.534 -0.752 -19.211 71 HA GLU 13 HA GLU 13 9.984 1.486 -18.332 72 HB2 GLU 13 1HB GLU 13 7.499 1.379 -20.061 73 HB3 GLU 13 2HB GLU 13 8.502 2.806 -19.847 74 HG2 GLU 13 1HG GLU 13 9.065 1.784 -21.930 75 HG3 GLU 13 2HG GLU 13 10.412 1.565 -20.817 76 H GLU 14 H GLU 14 6.538 0.736 -17.959 77 HA GLU 14 HA GLU 14 5.846 2.952 -16.356 78 HB2 GLU 14 1HB GLU 14 4.210 1.592 -17.567 79 HB3 GLU 14 2HB GLU 14 4.618 0.190 -16.594 80 HG2 GLU 14 1HG GLU 14 3.732 1.318 -14.606 81 HG3 GLU 14 2HG GLU 14 3.310 2.715 -15.598 82 H LEU 15 H LEU 15 6.830 -0.335 -15.588 83 HA LEU 15 HA LEU 15 6.298 -0.256 -12.833 84 HB2 LEU 15 1HB LEU 15 6.493 -2.318 -14.183 85 HB3 LEU 15 2HB LEU 15 8.209 -2.033 -14.365 86 HG LEU 15 HG LEU 15 7.414 -3.766 -12.620 87 HD11 LEU 15 1HD1 LEU 15 9.360 -1.627 -11.756 88 HD12 LEU 15 2HD1 LEU 15 9.732 -2.981 -12.820 89 HD13 LEU 15 3HD1 LEU 15 9.276 -3.278 -11.143 90 HD21 LEU 15 1HD2 LEU 15 5.694 -2.354 -11.584 91 HD22 LEU 15 2HD2 LEU 15 6.942 -1.228 -11.044 92 HD23 LEU 15 3HD2 LEU 15 6.902 -2.872 -10.408 93 H LEU 16 H LEU 16 9.192 0.502 -14.708 94 HA LEU 16 HA LEU 16 11.078 0.623 -12.682 95 HB2 LEU 16 1HB LEU 16 11.592 0.922 -15.078 96 HB3 LEU 16 2HB LEU 16 10.796 2.485 -15.054 97 HG LEU 16 HG LEU 16 12.510 3.306 -13.451 98 HD11 LEU 16 1HD1 LEU 16 13.132 1.185 -12.429 99 HD12 LEU 16 2HD1 LEU 16 14.547 2.001 -13.091 100 HD13 LEU 16 3HD1 LEU 16 13.830 0.640 -13.954 101 HD21 LEU 16 1HD2 LEU 16 14.337 3.467 -15.073 102 HD22 LEU 16 2HD2 LEU 16 12.767 3.710 -15.841 103 HD23 LEU 16 3HD2 LEU 16 13.607 2.170 -16.023 104 H ALA 17 H ALA 17 9.012 3.251 -13.885 105 HA ALA 17 HA ALA 17 9.770 5.156 -11.941 106 HB1 ALA 17 1HB ALA 17 8.755 5.768 -14.090 107 HB2 ALA 17 2HB ALA 17 7.854 6.445 -12.733 108 HB3 ALA 17 3HB ALA 17 7.238 5.027 -13.585 109 H ASP 18 H ASP 18 6.984 2.951 -12.167 110 HA ASP 18 HA ASP 18 5.587 3.907 -9.930 111 HB2 ASP 18 1HB ASP 18 4.600 2.400 -11.643 112 HB3 ASP 18 2HB ASP 18 5.581 1.078 -11.020 113 H VAL 19 H VAL 19 7.896 1.211 -10.182 114 HA VAL 19 HA VAL 19 7.712 0.518 -7.429 115 HB VAL 19 HB VAL 19 8.500 -1.017 -9.340 116 HG11 VAL 19 1HG1 VAL 19 11.160 0.290 -8.755 117 HG12 VAL 19 2HG1 VAL 19 10.231 0.500 -10.241 118 HG13 VAL 19 3HG1 VAL 19 10.873 -1.087 -9.821 119 HG21 VAL 19 1HG2 VAL 19 10.103 -0.924 -6.782 120 HG22 VAL 19 2HG2 VAL 19 9.934 -2.323 -7.842 121 HG23 VAL 19 3HG2 VAL 19 8.527 -1.683 -6.993 122 H GLU 20 H GLU 20 9.851 2.599 -9.336 123 HA GLU 20 HA GLU 20 11.767 3.106 -7.341 124 HB2 GLU 20 1HB GLU 20 11.973 3.761 -9.738 125 HB3 GLU 20 2HB GLU 20 10.783 5.027 -9.468 126 HG2 GLU 20 1HG GLU 20 12.262 6.163 -7.945 127 HG3 GLU 20 2HG GLU 20 13.428 4.841 -8.033 128 H GLU 21 H GLU 21 8.651 4.626 -8.025 129 HA GLU 21 HA GLU 21 8.804 6.533 -5.901 130 HB2 GLU 21 1HB GLU 21 6.399 5.443 -7.392 131 HB3 GLU 21 2HB GLU 21 6.363 6.814 -6.291 132 HG2 GLU 21 1HG GLU 21 7.848 6.640 -8.908 133 HG3 GLU 21 2HG GLU 21 6.402 7.590 -8.570 134 H ALA 22 H ALA 22 7.241 3.365 -6.278 135 HA ALA 22 HA ALA 22 5.889 3.263 -3.858 136 HB1 ALA 22 1HB ALA 22 5.551 1.657 -5.690 137 HB2 ALA 22 2HB ALA 22 5.831 0.846 -4.149 138 HB3 ALA 22 3HB ALA 22 7.126 0.943 -5.343 139 H MET 23 H MET 23 9.125 2.030 -4.613 140 HA MET 23 HA MET 23 9.761 1.041 -2.075 141 HB2 MET 23 1HB MET 23 11.555 2.152 -4.234 142 HB3 MET 23 2HB MET 23 12.128 1.283 -2.817 143 HG2 MET 23 1HG MET 23 10.215 0.086 -4.812 144 HG3 MET 23 2HG MET 23 11.966 -0.050 -4.956 145 HE1 MET 23 1HE MET 23 10.972 -3.653 -3.837 146 HE2 MET 23 2HE MET 23 11.817 -2.672 -5.037 147 HE3 MET 23 3HE MET 23 10.059 -2.594 -4.915 148 H ARG 24 H ARG 24 9.346 4.253 -3.050 149 HA ARG 24 HA ARG 24 11.207 5.389 -1.095 150 HB2 ARG 24 1HB ARG 24 11.160 6.434 -3.277 151 HB3 ARG 24 2HB ARG 24 9.414 6.603 -3.214 152 HG2 ARG 24 1HG ARG 24 9.761 8.143 -1.229 153 HG3 ARG 24 2HG ARG 24 11.479 8.123 -1.634 154 HD2 ARG 24 1HD ARG 24 10.957 8.966 -3.876 155 HD3 ARG 24 2HD ARG 24 9.240 8.973 -3.478 156 HE ARG 24 HE ARG 24 11.267 10.858 -2.575 157 HH11 ARG 24 1HH1 ARG 24 7.995 9.674 -2.153 158 HH12 ARG 24 2HH1 ARG 24 7.400 11.184 -1.533 159 HH21 ARG 24 1HH2 ARG 24 10.487 12.838 -1.759 160 HH22 ARG 24 2HH2 ARG 24 8.807 13.000 -1.337 161 H ASP 25 H ASP 25 7.802 4.668 -1.459 162 HA ASP 25 HA ASP 25 7.179 6.508 0.771 163 HB2 ASP 25 1HB ASP 25 5.630 5.989 -1.774 164 HB3 ASP 25 2HB ASP 25 4.862 6.665 -0.340 165 H VAL 26 H VAL 26 7.400 3.389 -0.213 166 HA VAL 26 HA VAL 26 5.123 2.482 1.427 167 HB VAL 26 HB VAL 26 6.695 1.038 -0.731 168 HG11 VAL 26 1HG1 VAL 26 4.281 0.112 0.804 169 HG12 VAL 26 2HG1 VAL 26 5.917 -0.526 0.944 170 HG13 VAL 26 3HG1 VAL 26 5.026 -0.719 -0.561 171 HG21 VAL 26 1HG2 VAL 26 5.260 2.767 -1.645 172 HG22 VAL 26 2HG2 VAL 26 3.886 2.161 -0.722 173 HG23 VAL 26 3HG2 VAL 26 4.585 1.180 -2.011 174 H VAL 27 H VAL 27 7.869 3.441 2.161 175 HA VAL 27 HA VAL 27 8.457 1.375 4.122 176 HB VAL 27 HB VAL 27 9.957 0.920 2.143 177 HG11 VAL 27 1HG1 VAL 27 11.113 3.633 2.803 178 HG12 VAL 27 2HG1 VAL 27 10.229 3.197 1.340 179 HG13 VAL 27 3HG1 VAL 27 11.801 2.468 1.671 180 HG21 VAL 27 1HG2 VAL 27 11.371 1.807 4.665 181 HG22 VAL 27 2HG2 VAL 27 12.044 0.744 3.428 182 HG23 VAL 27 3HG2 VAL 27 10.647 0.225 4.371 183 H ASP 28 H ASP 28 9.799 2.297 5.896 184 HA ASP 28 HA ASP 28 9.507 5.204 6.124 185 HB2 ASP 28 1HB ASP 28 8.716 3.994 8.061 186 HB3 ASP 28 2HB ASP 28 10.214 3.073 8.161 187 HA PRO 29 HA PRO 29 13.948 5.095 5.148 188 HB2 PRO 29 2HB PRO 29 14.024 7.275 3.590 189 HB3 PRO 29 1HB PRO 29 13.342 5.758 2.998 190 HG2 PRO 29 2HG PRO 29 11.949 8.227 3.924 191 HG3 PRO 29 1HG PRO 29 11.504 7.098 2.628 192 HD2 PRO 29 2HD PRO 29 10.461 7.135 5.249 193 HD3 PRO 29 1HD PRO 29 10.272 5.833 4.060 194 H GLU 30 H GLU 30 12.004 7.036 7.032 195 HA GLU 30 HA GLU 30 13.754 9.183 7.654 196 HB2 GLU 30 1HB GLU 30 11.325 9.242 8.120 197 HB3 GLU 30 2HB GLU 30 11.528 7.973 9.321 198 HG2 GLU 30 1HG GLU 30 12.968 9.463 10.637 199 HG3 GLU 30 2HG GLU 30 12.728 10.737 9.442 200 H LEU 31 H LEU 31 12.900 6.248 9.482 201 HA LEU 31 HA LEU 31 15.507 6.409 10.848 202 HB2 LEU 31 1HB LEU 31 12.958 5.010 11.681 203 HB3 LEU 31 2HB LEU 31 14.467 4.955 12.573 204 HG LEU 31 HG LEU 31 12.805 7.433 12.066 205 HD11 LEU 31 1HD1 LEU 31 12.388 7.379 14.474 206 HD12 LEU 31 2HD1 LEU 31 13.276 5.860 14.598 207 HD13 LEU 31 3HD1 LEU 31 11.771 5.931 13.681 208 HD21 LEU 31 1HD2 LEU 31 14.363 8.573 13.536 209 HD22 LEU 31 2HD2 LEU 31 15.217 7.905 12.145 210 HD23 LEU 31 3HD2 LEU 31 15.313 7.099 13.711 211 H GLY 32 H GLY 32 13.661 4.624 8.596 212 HA2 GLY 32 1HA GLY 32 14.723 3.137 7.090 213 HA3 GLY 32 2HA GLY 32 15.928 2.779 8.317 214 H ILE 33 H ILE 33 12.360 2.662 8.386 215 HA ILE 33 HA ILE 33 12.590 -0.186 9.184 216 HB ILE 33 HB ILE 33 10.338 1.744 9.801 217 HG12 ILE 33 1HG1 ILE 33 10.968 1.130 12.204 218 HG13 ILE 33 2HG1 ILE 33 12.444 0.443 11.540 219 HG21 ILE 33 1HG2 ILE 33 10.558 -1.192 10.460 220 HG22 ILE 33 2HG2 ILE 33 9.414 -0.446 9.343 221 HG23 ILE 33 3HG2 ILE 33 9.313 -0.100 11.070 222 HD11 ILE 33 1HD1 ILE 33 13.052 2.629 10.652 223 HD12 ILE 33 2HD1 ILE 33 12.816 2.673 12.399 224 HD13 ILE 33 3HD1 ILE 33 11.572 3.313 11.326 225 H ASN 34 H ASN 34 11.330 -1.694 8.167 226 HA ASN 34 HA ASN 34 9.952 -0.791 5.717 227 HB2 ASN 34 1HB ASN 34 11.927 -2.035 5.115 228 HB3 ASN 34 2HB ASN 34 11.521 -3.328 6.241 229 HD21 ASN 34 1HD2 ASN 34 10.408 -4.958 3.350 230 HD22 ASN 34 2HD2 ASN 34 11.676 -4.801 4.517 231 H VAL 35 H VAL 35 7.830 -0.908 5.978 232 HA VAL 35 HA VAL 35 6.519 -2.262 8.043 233 HB VAL 35 HB VAL 35 5.261 -1.524 5.384 234 HG11 VAL 35 1HG1 VAL 35 3.221 -1.225 6.730 235 HG12 VAL 35 2HG1 VAL 35 4.097 -1.752 8.168 236 HG13 VAL 35 3HG1 VAL 35 3.836 -2.875 6.834 237 HG21 VAL 35 1HG2 VAL 35 4.784 0.680 6.360 238 HG22 VAL 35 2HG2 VAL 35 6.520 0.395 6.243 239 HG23 VAL 35 3HG2 VAL 35 5.706 0.246 7.800 240 H VAL 36 H VAL 36 7.211 -3.194 4.722 241 HA VAL 36 HA VAL 36 5.695 -5.556 4.599 242 HB VAL 36 HB VAL 36 8.295 -4.957 3.153 243 HG11 VAL 36 1HG1 VAL 36 6.057 -6.869 2.466 244 HG12 VAL 36 2HG1 VAL 36 7.680 -7.309 2.995 245 HG13 VAL 36 3HG1 VAL 36 7.446 -6.510 1.442 246 HG21 VAL 36 1HG2 VAL 36 5.444 -4.340 2.358 247 HG22 VAL 36 2HG2 VAL 36 6.859 -4.129 1.326 248 HG23 VAL 36 3HG2 VAL 36 6.687 -3.166 2.794 249 H ASP 37 H ASP 37 8.681 -4.816 6.175 250 HA ASP 37 HA ASP 37 9.802 -7.407 6.326 251 HB2 ASP 37 1HB ASP 37 11.166 -5.462 6.771 252 HB3 ASP 37 2HB ASP 37 10.131 -4.984 8.108 253 H LEU 38 H LEU 38 7.188 -5.883 8.025 254 HA LEU 38 HA LEU 38 7.170 -7.687 10.263 255 HB2 LEU 38 1HB LEU 38 5.097 -5.802 9.134 256 HB3 LEU 38 2HB LEU 38 4.771 -6.829 10.515 257 HG LEU 38 HG LEU 38 5.314 -4.616 11.291 258 HD11 LEU 38 1HD1 LEU 38 7.169 -5.102 12.793 259 HD12 LEU 38 2HD1 LEU 38 7.623 -6.491 11.804 260 HD13 LEU 38 3HD1 LEU 38 6.080 -6.483 12.660 261 HD21 LEU 38 1HD2 LEU 38 7.484 -3.561 10.872 262 HD22 LEU 38 2HD2 LEU 38 6.587 -3.810 9.376 263 HD23 LEU 38 3HD2 LEU 38 7.923 -4.883 9.789 264 H GLY 39 H GLY 39 6.488 -8.035 7.043 265 HA2 GLY 39 1HA GLY 39 5.681 -9.730 5.766 266 HA3 GLY 39 2HA GLY 39 5.885 -10.741 7.185 267 H LEU 40 H LEU 40 3.702 -8.085 7.526 268 HA LEU 40 HA LEU 40 1.427 -9.906 7.201 269 HB2 LEU 40 1HB LEU 40 1.547 -8.623 9.288 270 HB3 LEU 40 2HB LEU 40 1.558 -7.120 8.383 271 HG LEU 40 HG LEU 40 -0.771 -8.926 7.921 272 HD11 LEU 40 1HD1 LEU 40 -1.944 -8.154 9.911 273 HD12 LEU 40 2HD1 LEU 40 -0.487 -7.327 10.468 274 HD13 LEU 40 3HD1 LEU 40 -0.513 -9.088 10.350 275 HD21 LEU 40 1HD2 LEU 40 -0.576 -6.773 6.777 276 HD22 LEU 40 2HD2 LEU 40 -0.511 -5.946 8.334 277 HD23 LEU 40 3HD2 LEU 40 -1.974 -6.804 7.852 278 H VAL 41 H VAL 41 2.914 -7.057 5.872 279 HA VAL 41 HA VAL 41 0.782 -6.270 4.160 280 HB VAL 41 HB VAL 41 3.741 -5.674 3.847 281 HG11 VAL 41 1HG1 VAL 41 2.426 -5.146 1.846 282 HG12 VAL 41 2HG1 VAL 41 3.002 -3.677 2.635 283 HG13 VAL 41 3HG1 VAL 41 1.320 -4.179 2.821 284 HG21 VAL 41 1HG2 VAL 41 1.628 -4.134 5.368 285 HG22 VAL 41 2HG2 VAL 41 3.297 -3.622 5.111 286 HG23 VAL 41 3HG2 VAL 41 2.954 -5.057 6.077 287 H TYR 42 H TYR 42 2.933 -8.849 4.109 288 HA TYR 42 HA TYR 42 3.253 -9.317 1.344 289 HB2 TYR 42 2HB TYR 42 4.512 -10.463 3.189 290 HB3 TYR 42 1HB TYR 42 3.055 -11.369 3.573 291 HD1 TYR 42 1HD TYR 42 5.548 -10.754 0.878 292 HD2 TYR 42 2HD TYR 42 2.561 -13.375 2.423 293 HE1 TYR 42 1HE TYR 42 6.215 -12.474 -0.748 294 HE2 TYR 42 2HE TYR 42 3.225 -15.092 0.798 295 HH TYR 42 HH TYR 42 6.099 -14.907 -1.026 296 H GLY 43 H GLY 43 0.586 -9.561 3.492 297 HA2 GLY 43 1HA GLY 43 -0.997 -11.378 1.912 298 HA3 GLY 43 2HA GLY 43 -1.542 -10.424 3.286 299 H LEU 44 H LEU 44 -0.342 -9.848 -0.012 300 HA LEU 44 HA LEU 44 -2.535 -7.929 -0.367 301 HB2 LEU 44 1HB LEU 44 -1.162 -7.155 -2.371 302 HB3 LEU 44 2HB LEU 44 -0.560 -6.763 -0.774 303 HG LEU 44 HG LEU 44 0.941 -8.862 -1.052 304 HD11 LEU 44 1HD1 LEU 44 1.565 -9.368 -3.365 305 HD12 LEU 44 2HD1 LEU 44 0.253 -8.338 -3.941 306 HD13 LEU 44 3HD1 LEU 44 -0.110 -9.799 -3.023 307 HD21 LEU 44 1HD2 LEU 44 2.655 -7.531 -2.179 308 HD22 LEU 44 2HD2 LEU 44 1.785 -6.590 -0.970 309 HD23 LEU 44 3HD2 LEU 44 1.425 -6.371 -2.683 310 H ASP 45 H ASP 45 -3.890 -8.087 -2.095 311 HA ASP 45 HA ASP 45 -3.755 -10.310 -3.944 312 HB2 ASP 45 1HB ASP 45 -4.693 -11.482 -2.067 313 HB3 ASP 45 2HB ASP 45 -5.792 -10.155 -1.705 314 H VAL 46 H VAL 46 -4.444 -9.468 -5.818 315 HA VAL 46 HA VAL 46 -6.139 -7.066 -5.710 316 HB VAL 46 HB VAL 46 -4.448 -8.066 -8.008 317 HG11 VAL 46 1HG1 VAL 46 -5.900 -5.447 -7.630 318 HG12 VAL 46 2HG1 VAL 46 -6.328 -6.729 -8.764 319 HG13 VAL 46 3HG1 VAL 46 -4.821 -5.835 -8.971 320 HG21 VAL 46 1HG2 VAL 46 -3.879 -5.886 -5.999 321 HG22 VAL 46 2HG2 VAL 46 -2.926 -6.202 -7.448 322 HG23 VAL 46 3HG2 VAL 46 -3.015 -7.414 -6.170 323 H GLN 47 H GLN 47 -8.195 -7.231 -6.285 324 HA GLN 47 HA GLN 47 -9.065 -9.550 -7.860 325 HB2 GLN 47 1HB GLN 47 -11.362 -8.893 -7.210 326 HB3 GLN 47 2HB GLN 47 -10.334 -9.199 -5.818 327 HG2 GLN 47 1HG GLN 47 -10.106 -6.856 -5.380 328 HG3 GLN 47 2HG GLN 47 -10.922 -6.445 -6.889 329 HE21 GLN 47 1HE2 GLN 47 -13.202 -6.273 -3.875 330 HE22 GLN 47 2HE2 GLN 47 -11.589 -5.714 -4.140 331 H ASP 48 H ASP 48 -9.381 -9.322 -9.954 332 HA ASP 48 HA ASP 48 -9.741 -6.605 -11.048 333 HB2 ASP 48 1HB ASP 48 -8.665 -7.403 -13.101 334 HB3 ASP 48 2HB ASP 48 -7.608 -7.642 -11.716 335 H GLY 49 H GLY 49 -11.552 -6.189 -12.097 336 HA2 GLY 49 1HA GLY 49 -12.965 -8.340 -13.501 337 HA3 GLY 49 2HA GLY 49 -13.854 -7.438 -12.276 338 H ASP 50 H ASP 50 -14.744 -7.443 -14.864 339 HA ASP 50 HA ASP 50 -13.857 -5.383 -16.518 340 HB2 ASP 50 1HB ASP 50 -15.495 -7.054 -17.255 341 HB3 ASP 50 2HB ASP 50 -16.687 -6.408 -16.134 342 H GLU 51 H GLU 51 -15.853 -5.295 -13.654 343 HA GLU 51 HA GLU 51 -16.800 -2.634 -13.922 344 HB2 GLU 51 1HB GLU 51 -17.370 -2.823 -11.526 345 HB3 GLU 51 2HB GLU 51 -17.894 -4.233 -12.437 346 HG2 GLU 51 1HG GLU 51 -15.905 -5.460 -11.645 347 HG3 GLU 51 2HG GLU 51 -15.452 -4.055 -10.681 348 H GLY 52 H GLY 52 -13.859 -4.044 -12.672 349 HA2 GLY 52 1HA GLY 52 -12.225 -1.884 -12.940 350 HA3 GLY 52 2HA GLY 52 -12.938 -1.672 -11.345 351 H THR 53 H THR 53 -10.214 -2.006 -11.733 352 HA THR 53 HA THR 53 -9.702 -4.690 -10.624 353 HB THR 53 HB THR 53 -7.689 -2.738 -11.768 354 HG1 THR 53 1HG THR 53 -9.049 -3.415 -13.429 355 HG21 THR 53 1HG2 THR 53 -6.231 -4.729 -11.892 356 HG22 THR 53 2HG2 THR 53 -7.483 -5.677 -11.088 357 HG23 THR 53 3HG2 THR 53 -6.696 -4.349 -10.235 358 H VAL 54 H VAL 54 -9.715 -4.607 -8.463 359 HA VAL 54 HA VAL 54 -8.741 -2.182 -7.097 360 HB VAL 54 HB VAL 54 -10.600 -4.294 -5.977 361 HG11 VAL 54 1HG1 VAL 54 -9.361 -3.073 -4.272 362 HG12 VAL 54 2HG1 VAL 54 -11.064 -2.617 -4.240 363 HG13 VAL 54 3HG1 VAL 54 -9.875 -1.536 -4.970 364 HG21 VAL 54 1HG2 VAL 54 -11.292 -1.599 -7.160 365 HG22 VAL 54 2HG2 VAL 54 -12.417 -2.667 -6.319 366 HG23 VAL 54 3HG2 VAL 54 -11.690 -3.174 -7.845 367 H ALA 55 H ALA 55 -6.902 -2.352 -6.007 368 HA ALA 55 HA ALA 55 -5.712 -4.996 -5.578 369 HB1 ALA 55 1HB ALA 55 -3.682 -3.743 -4.992 370 HB2 ALA 55 2HB ALA 55 -4.573 -2.225 -5.131 371 HB3 ALA 55 3HB ALA 55 -4.326 -3.239 -6.550 372 H LEU 56 H LEU 56 -6.284 -6.027 -3.738 373 HA LEU 56 HA LEU 56 -6.979 -4.511 -1.339 374 HB2 LEU 56 1HB LEU 56 -6.953 -7.514 -1.554 375 HB3 LEU 56 2HB LEU 56 -7.920 -6.504 -0.497 376 HG LEU 56 HG LEU 56 -8.292 -6.750 -3.489 377 HD11 LEU 56 1HD1 LEU 56 -8.890 -8.815 -2.345 378 HD12 LEU 56 2HD1 LEU 56 -10.328 -7.987 -2.944 379 HD13 LEU 56 3HD1 LEU 56 -9.923 -7.914 -1.230 380 HD21 LEU 56 1HD2 LEU 56 -8.971 -4.568 -2.653 381 HD22 LEU 56 2HD2 LEU 56 -9.967 -5.336 -1.415 382 HD23 LEU 56 3HD2 LEU 56 -10.374 -5.526 -3.122 383 H ILE 57 H ILE 57 -5.244 -3.883 -0.168 384 HA ILE 57 HA ILE 57 -3.029 -5.798 0.214 385 HB ILE 57 HB ILE 57 -2.974 -2.791 0.609 386 HG12 ILE 57 1HG1 ILE 57 -1.804 -4.461 -1.643 387 HG13 ILE 57 2HG1 ILE 57 -3.227 -3.434 -1.777 388 HG21 ILE 57 1HG2 ILE 57 -0.537 -3.091 0.784 389 HG22 ILE 57 2HG2 ILE 57 -0.744 -4.837 0.654 390 HG23 ILE 57 3HG2 ILE 57 -1.393 -3.974 2.047 391 HD11 ILE 57 1HD1 ILE 57 -0.429 -2.499 -1.177 392 HD12 ILE 57 2HD1 ILE 57 -1.857 -1.471 -1.314 393 HD13 ILE 57 3HD1 ILE 57 -1.271 -2.359 -2.719 394 H ASP 58 H ASP 58 -3.060 -6.798 2.137 395 HA ASP 58 HA ASP 58 -4.642 -5.765 4.327 396 HB2 ASP 58 1HB ASP 58 -4.434 -8.211 3.752 397 HB3 ASP 58 2HB ASP 58 -2.770 -8.149 4.324 398 H MET 59 H MET 59 -3.920 -4.433 5.880 399 HA MET 59 HA MET 59 -1.075 -4.378 6.565 400 HB2 MET 59 1HB MET 59 -2.654 -1.958 5.665 401 HB3 MET 59 2HB MET 59 -1.115 -1.857 6.505 402 HG2 MET 59 1HG MET 59 -0.073 -3.133 4.652 403 HG3 MET 59 2HG MET 59 -1.616 -3.083 3.801 404 HE1 MET 59 1HE MET 59 1.359 -0.949 5.246 405 HE2 MET 59 2HE MET 59 -0.047 -0.228 6.033 406 HE3 MET 59 3HE MET 59 0.853 0.687 4.823 407 H THR 60 H THR 60 -0.686 -2.913 8.474 408 HA THR 60 HA THR 60 -2.920 -2.141 10.092 409 HB THR 60 HB THR 60 -2.771 -4.562 10.664 410 HG1 THR 60 1HG THR 60 -3.350 -3.954 12.603 411 HG21 THR 60 1HG2 THR 60 -0.352 -4.876 10.320 412 HG22 THR 60 2HG2 THR 60 -0.852 -5.407 11.925 413 HG23 THR 60 3HG2 THR 60 -0.022 -3.864 11.729 414 H LEU 61 H LEU 61 -2.189 -0.990 12.046 415 HA LEU 61 HA LEU 61 0.377 0.340 11.506 416 HB2 LEU 61 1HB LEU 61 -1.987 1.243 13.167 417 HB3 LEU 61 2HB LEU 61 -0.497 2.145 12.982 418 HG LEU 61 HG LEU 61 -2.090 3.152 11.541 419 HD11 LEU 61 1HD1 LEU 61 0.127 2.968 10.576 420 HD12 LEU 61 2HD1 LEU 61 -1.110 2.872 9.321 421 HD13 LEU 61 3HD1 LEU 61 -0.291 1.406 9.866 422 HD21 LEU 61 1HD2 LEU 61 -3.731 1.362 11.435 423 HD22 LEU 61 2HD2 LEU 61 -2.662 0.417 10.398 424 HD23 LEU 61 3HD2 LEU 61 -3.337 1.939 9.815 425 H THR 62 H THR 62 1.632 1.045 13.422 426 HA THR 62 HA THR 62 2.667 -1.084 14.759 427 HB THR 62 HB THR 62 2.641 1.724 15.887 428 HG1 THR 62 1HG THR 62 4.682 0.859 14.183 429 HG21 THR 62 1HG2 THR 62 3.671 0.039 17.358 430 HG22 THR 62 2HG2 THR 62 4.892 1.127 16.697 431 HG23 THR 62 3HG2 THR 62 4.706 -0.494 16.031 432 H SER 63 H SER 63 0.451 1.289 16.275 433 HA SER 63 HA SER 63 -0.083 -0.655 18.420 434 HB2 SER 63 1HB SER 63 -0.851 2.276 18.335 435 HB3 SER 63 2HB SER 63 -0.810 1.214 19.745 436 HG SER 63 HG SER 63 1.091 2.203 19.900 437 H ALA 64 H ALA 64 -1.278 -0.055 15.524 438 HA ALA 64 HA ALA 64 -3.234 -0.277 14.417 439 HB1 ALA 64 1HB ALA 64 -4.909 -1.785 15.358 440 HB2 ALA 64 2HB ALA 64 -4.130 -1.678 16.937 441 HB3 ALA 64 3HB ALA 64 -3.280 -2.422 15.584 442 H ALA 65 H ALA 65 -2.912 1.862 16.774 443 HA ALA 65 HA ALA 65 -5.645 2.938 16.462 444 HB1 ALA 65 1HB ALA 65 -5.179 2.351 18.791 445 HB2 ALA 65 2HB ALA 65 -5.319 4.098 18.603 446 HB3 ALA 65 3HB ALA 65 -3.728 3.354 18.766 447 H CYS 66 H CYS 66 -2.692 3.178 15.268 448 HA CYS 66 HA CYS 66 -2.144 5.994 15.563 449 HB2 CYS 66 2HB CYS 66 -0.803 4.029 13.695 450 HB3 CYS 66 1HB CYS 66 -0.144 5.532 14.334 451 HG CYS 66 HG CYS 66 0.349 4.654 16.840 452 HA PRO 67 HA PRO 67 -4.804 6.915 12.066 453 HB2 PRO 67 2HB PRO 67 -4.571 9.597 12.120 454 HB3 PRO 67 1HB PRO 67 -5.474 8.712 13.356 455 HG2 PRO 67 2HG PRO 67 -2.680 9.803 13.468 456 HG3 PRO 67 1HG PRO 67 -3.962 9.885 14.694 457 HD2 PRO 67 2HD PRO 67 -1.935 8.056 14.773 458 HD3 PRO 67 1HD PRO 67 -3.546 7.750 15.452 459 H LEU 68 H LEU 68 -1.950 6.196 11.579 460 HA LEU 68 HA LEU 68 -0.972 8.077 9.621 461 HB2 LEU 68 1HB LEU 68 -0.063 5.346 10.520 462 HB3 LEU 68 2HB LEU 68 0.665 6.144 9.140 463 HG LEU 68 HG LEU 68 1.350 8.023 10.595 464 HD11 LEU 68 1HD1 LEU 68 1.224 7.827 13.013 465 HD12 LEU 68 2HD1 LEU 68 0.322 6.320 12.862 466 HD13 LEU 68 3HD1 LEU 68 -0.391 7.834 12.306 467 HD21 LEU 68 1HD2 LEU 68 2.276 5.307 11.539 468 HD22 LEU 68 2HD2 LEU 68 3.129 6.833 11.777 469 HD23 LEU 68 3HD2 LEU 68 2.903 6.196 10.149 470 H THR 69 H THR 69 -3.515 6.098 9.547 471 HA THR 69 HA THR 69 -3.262 4.536 7.268 472 HB THR 69 HB THR 69 -5.144 4.347 8.871 473 HG1 THR 69 1HG THR 69 -6.202 4.824 6.284 474 HG21 THR 69 1HG2 THR 69 -7.087 5.817 8.674 475 HG22 THR 69 2HG2 THR 69 -6.246 6.799 7.474 476 HG23 THR 69 3HG2 THR 69 -5.662 6.748 9.138 477 H ASP 70 H ASP 70 -4.350 7.914 7.582 478 HA ASP 70 HA ASP 70 -5.040 8.430 4.944 479 HB2 ASP 70 1HB ASP 70 -3.640 10.295 6.887 480 HB3 ASP 70 2HB ASP 70 -4.465 10.800 5.417 481 H VAL 71 H VAL 71 -1.879 8.424 6.486 482 HA VAL 71 HA VAL 71 -0.433 9.513 4.301 483 HB VAL 71 HB VAL 71 0.618 7.785 6.559 484 HG11 VAL 71 1HG1 VAL 71 2.036 9.745 4.746 485 HG12 VAL 71 2HG1 VAL 71 2.208 7.991 4.727 486 HG13 VAL 71 3HG1 VAL 71 2.760 8.915 6.122 487 HG21 VAL 71 1HG2 VAL 71 1.140 9.891 7.709 488 HG22 VAL 71 2HG2 VAL 71 -0.594 9.714 7.442 489 HG23 VAL 71 3HG2 VAL 71 0.351 10.795 6.417 490 H ILE 72 H ILE 72 -0.773 6.157 5.524 491 HA ILE 72 HA ILE 72 0.825 5.006 3.502 492 HB ILE 72 HB ILE 72 -0.092 2.848 4.140 493 HG12 ILE 72 1HG1 ILE 72 -1.976 4.431 5.908 494 HG13 ILE 72 2HG1 ILE 72 -2.439 3.504 4.483 495 HG21 ILE 72 1HG2 ILE 72 1.701 3.825 5.463 496 HG22 ILE 72 2HG2 ILE 72 0.622 2.874 6.484 497 HG23 ILE 72 3HG2 ILE 72 0.520 4.637 6.494 498 HD11 ILE 72 1HD1 ILE 72 -2.927 2.285 6.515 499 HD12 ILE 72 2HD1 ILE 72 -1.231 2.391 6.994 500 HD13 ILE 72 3HD1 ILE 72 -1.688 1.465 5.565 501 H GLU 73 H GLU 73 -2.649 5.562 3.708 502 HA GLU 73 HA GLU 73 -3.399 4.204 1.362 503 HB2 GLU 73 1HB GLU 73 -4.695 6.528 2.805 504 HB3 GLU 73 2HB GLU 73 -5.439 5.695 1.448 505 HG2 GLU 73 1HG GLU 73 -5.370 3.591 2.748 506 HG3 GLU 73 2HG GLU 73 -4.716 4.491 4.113 507 H ASP 74 H ASP 74 -2.670 7.646 1.945 508 HA ASP 74 HA ASP 74 -2.996 8.569 -0.667 509 HB2 ASP 74 1HB ASP 74 -2.699 10.125 1.166 510 HB3 ASP 74 2HB ASP 74 -1.083 9.508 1.489 511 H GLN 75 H GLN 75 -0.071 7.349 0.921 512 HA GLN 75 HA GLN 75 1.741 7.668 -1.159 513 HB2 GLN 75 1HB GLN 75 1.608 5.623 1.063 514 HB3 GLN 75 2HB GLN 75 2.983 5.750 -0.028 515 HG2 GLN 75 1HG GLN 75 3.545 7.905 0.773 516 HG3 GLN 75 2HG GLN 75 1.999 8.082 1.603 517 HE21 GLN 75 1HE2 GLN 75 4.896 7.078 3.868 518 HE22 GLN 75 2HE2 GLN 75 4.817 8.210 2.568 519 H SER 76 H SER 76 -0.018 4.670 -0.316 520 HA SER 76 HA SER 76 0.962 3.213 -2.533 521 HB2 SER 76 1HB SER 76 0.129 2.132 -0.488 522 HB3 SER 76 2HB SER 76 -1.499 2.712 -0.834 523 HG SER 76 HG SER 76 -0.221 0.530 -1.778 524 H ARG 77 H ARG 77 -2.192 4.741 -1.944 525 HA ARG 77 HA ARG 77 -3.485 3.929 -4.277 526 HB2 ARG 77 1HB ARG 77 -4.447 5.040 -2.182 527 HB3 ARG 77 2HB ARG 77 -3.960 6.571 -2.890 528 HG2 ARG 77 1HG ARG 77 -5.429 6.140 -4.811 529 HG3 ARG 77 2HG ARG 77 -5.918 4.608 -4.079 530 HD2 ARG 77 1HD ARG 77 -6.618 5.998 -2.048 531 HD3 ARG 77 2HD ARG 77 -6.459 7.405 -3.098 532 HE ARG 77 HE ARG 77 -8.106 5.313 -4.189 533 HH11 ARG 77 1HH1 ARG 77 -8.087 8.187 -2.188 534 HH12 ARG 77 2HH1 ARG 77 -9.792 8.453 -2.337 535 HH21 ARG 77 1HH2 ARG 77 -10.331 5.634 -4.364 536 HH22 ARG 77 2HH2 ARG 77 -11.073 6.998 -3.584 537 H SER 78 H SER 78 -1.677 6.903 -3.605 538 HA SER 78 HA SER 78 -2.224 8.295 -5.936 539 HB2 SER 78 1HB SER 78 -1.118 9.258 -3.941 540 HB3 SER 78 2HB SER 78 0.346 8.358 -4.330 541 HG SER 78 HG SER 78 -0.368 10.733 -5.205 542 H ALA 79 H ALA 79 0.480 6.041 -5.294 543 HA ALA 79 HA ALA 79 1.617 6.451 -7.895 544 HB1 ALA 79 1HB ALA 79 3.015 5.842 -5.993 545 HB2 ALA 79 2HB ALA 79 3.155 4.641 -7.276 546 HB3 ALA 79 3HB ALA 79 2.173 4.299 -5.850 547 H LEU 80 H LEU 80 -0.193 3.752 -6.390 548 HA LEU 80 HA LEU 80 0.077 2.005 -8.576 549 HB2 LEU 80 1HB LEU 80 -2.044 2.064 -6.422 550 HB3 LEU 80 2HB LEU 80 -1.801 0.735 -7.543 551 HG LEU 80 HG LEU 80 0.157 1.684 -5.441 552 HD11 LEU 80 1HD1 LEU 80 -1.732 0.435 -4.534 553 HD12 LEU 80 2HD1 LEU 80 -0.239 -0.494 -4.415 554 HD13 LEU 80 3HD1 LEU 80 -1.421 -0.880 -5.667 555 HD21 LEU 80 1HD2 LEU 80 1.363 0.945 -7.419 556 HD22 LEU 80 2HD2 LEU 80 0.422 -0.547 -7.462 557 HD23 LEU 80 3HD2 LEU 80 1.531 -0.241 -6.124 558 H VAL 81 H VAL 81 -2.393 4.385 -7.800 559 HA VAL 81 HA VAL 81 -3.968 3.769 -10.138 560 HB VAL 81 HB VAL 81 -4.109 6.184 -8.311 561 HG11 VAL 81 1HG1 VAL 81 -5.147 6.591 -10.495 562 HG12 VAL 81 2HG1 VAL 81 -6.362 6.500 -9.220 563 HG13 VAL 81 3HG1 VAL 81 -6.123 5.133 -10.309 564 HG21 VAL 81 1HG2 VAL 81 -6.010 5.025 -7.254 565 HG22 VAL 81 2HG2 VAL 81 -4.507 4.121 -7.070 566 HG23 VAL 81 3HG2 VAL 81 -5.702 3.611 -8.264 567 H GLY 82 H GLY 82 -1.238 5.755 -9.362 568 HA2 GLY 82 1HA GLY 82 -1.695 7.806 -11.321 569 HA3 GLY 82 2HA GLY 82 -0.214 7.531 -10.417 570 H SER 83 H SER 83 0.525 5.027 -11.142 571 HA SER 83 HA SER 83 1.435 5.371 -13.837 572 HB2 SER 83 1HB SER 83 1.678 2.936 -12.048 573 HB3 SER 83 2HB SER 83 2.660 3.306 -13.465 574 HG SER 83 HG SER 83 3.127 3.990 -10.973 575 H GLY 84 H GLY 84 -1.204 3.763 -12.284 576 HA2 GLY 84 1HA GLY 84 -3.187 3.208 -13.426 577 HA3 GLY 84 2HA GLY 84 -2.279 3.106 -14.923 578 H LEU 85 H LEU 85 -1.333 1.487 -11.945 579 HA LEU 85 HA LEU 85 -1.279 -1.070 -13.221 580 HB2 LEU 85 1HB LEU 85 -0.905 -0.168 -10.371 581 HB3 LEU 85 2HB LEU 85 -0.993 -1.874 -10.768 582 HG LEU 85 HG LEU 85 0.964 -1.588 -12.285 583 HD11 LEU 85 1HD1 LEU 85 0.748 0.770 -12.796 584 HD12 LEU 85 2HD1 LEU 85 2.327 0.442 -12.084 585 HD13 LEU 85 3HD1 LEU 85 1.058 1.190 -11.111 586 HD21 LEU 85 1HD2 LEU 85 1.261 -2.408 -10.009 587 HD22 LEU 85 2HD2 LEU 85 1.409 -0.753 -9.418 588 HD23 LEU 85 3HD2 LEU 85 2.632 -1.414 -10.504 589 H VAL 86 H VAL 86 -3.438 0.496 -10.899 590 HA VAL 86 HA VAL 86 -5.514 -1.480 -11.564 591 HB VAL 86 HB VAL 86 -6.246 -1.513 -9.185 592 HG11 VAL 86 1HG1 VAL 86 -4.874 -3.340 -10.052 593 HG12 VAL 86 2HG1 VAL 86 -4.507 -3.028 -8.357 594 HG13 VAL 86 3HG1 VAL 86 -3.409 -2.460 -9.616 595 HG21 VAL 86 1HG2 VAL 86 -5.254 0.599 -8.454 596 HG22 VAL 86 2HG2 VAL 86 -3.637 -0.075 -8.657 597 HG23 VAL 86 3HG2 VAL 86 -4.717 -0.731 -7.428 598 H ASP 87 H ASP 87 -7.705 -0.701 -10.870 599 HA ASP 87 HA ASP 87 -8.169 2.000 -11.661 600 HB2 ASP 87 1HB ASP 87 -9.967 -0.102 -10.425 601 HB3 ASP 87 2HB ASP 87 -10.542 1.506 -10.843 602 H ASP 88 H ASP 88 -8.164 0.268 -8.597 603 HA ASP 88 HA ASP 88 -7.298 2.548 -7.140 604 HB2 ASP 88 1HB ASP 88 -9.948 2.723 -7.478 605 HB3 ASP 88 2HB ASP 88 -9.959 1.603 -6.122 606 H ILE 89 H ILE 89 -7.496 1.917 -4.641 607 HA ILE 89 HA ILE 89 -6.728 -0.923 -4.456 608 HB ILE 89 HB ILE 89 -5.065 -0.354 -2.790 609 HG12 ILE 89 1HG1 ILE 89 -5.758 2.566 -3.248 610 HG13 ILE 89 2HG1 ILE 89 -6.294 1.636 -1.853 611 HG21 ILE 89 1HG2 ILE 89 -4.772 1.380 -5.246 612 HG22 ILE 89 2HG2 ILE 89 -4.342 -0.325 -5.116 613 HG23 ILE 89 3HG2 ILE 89 -3.460 0.881 -4.179 614 HD11 ILE 89 1HD1 ILE 89 -3.946 1.279 -1.219 615 HD12 ILE 89 2HD1 ILE 89 -4.388 2.985 -1.276 616 HD13 ILE 89 3HD1 ILE 89 -3.445 2.276 -2.586 617 H ARG 90 H ARG 90 -6.602 -1.522 -2.045 618 HA ARG 90 HA ARG 90 -8.551 -0.252 -0.313 619 HB2 ARG 90 1HB ARG 90 -10.132 -1.719 -1.142 620 HB3 ARG 90 2HB ARG 90 -8.940 -2.911 -1.622 621 HG2 ARG 90 1HG ARG 90 -10.374 -3.765 0.137 622 HG3 ARG 90 2HG ARG 90 -8.706 -3.645 0.688 623 HD2 ARG 90 1HD ARG 90 -9.232 -1.610 1.912 624 HD3 ARG 90 2HD ARG 90 -10.885 -1.646 1.296 625 HE ARG 90 HE ARG 90 -10.453 -4.078 2.555 626 HH11 ARG 90 1HH1 ARG 90 -10.465 -0.709 3.515 627 HH12 ARG 90 2HH1 ARG 90 -11.047 -1.039 5.115 628 HH21 ARG 90 1HH2 ARG 90 -11.198 -4.511 4.676 629 HH22 ARG 90 2HH2 ARG 90 -11.450 -3.192 5.776 630 H ILE 91 H ILE 91 -7.138 0.148 1.277 631 HA ILE 91 HA ILE 91 -5.260 -1.913 2.131 632 HB ILE 91 HB ILE 91 -5.645 0.948 3.058 633 HG12 ILE 91 1HG1 ILE 91 -3.456 -0.400 1.446 634 HG13 ILE 91 2HG1 ILE 91 -4.632 0.762 0.842 635 HG21 ILE 91 1HG2 ILE 91 -3.598 0.623 4.395 636 HG22 ILE 91 2HG2 ILE 91 -3.602 -1.089 3.965 637 HG23 ILE 91 3HG2 ILE 91 -4.913 -0.420 4.935 638 HD11 ILE 91 1HD1 ILE 91 -2.472 1.799 1.163 639 HD12 ILE 91 2HD1 ILE 91 -2.467 1.316 2.859 640 HD13 ILE 91 3HD1 ILE 91 -3.654 2.486 2.279 641 H ASN 92 H ASN 92 -5.893 -3.351 3.550 642 HA ASN 92 HA ASN 92 -8.203 -2.844 5.249 643 HB2 ASN 92 1HB ASN 92 -7.934 -5.057 4.093 644 HB3 ASN 92 2HB ASN 92 -6.508 -5.355 5.089 645 HD21 ASN 92 1HD2 ASN 92 -8.675 -6.979 7.292 646 HD22 ASN 92 2HD2 ASN 92 -7.343 -7.103 6.186 647 H TRP 93 H TRP 93 -8.132 -2.750 7.464 648 HA TRP 93 HA TRP 93 -5.450 -2.463 8.663 649 HB2 TRP 93 2HB TRP 93 -8.057 -1.289 9.680 650 HB3 TRP 93 1HB TRP 93 -6.431 -0.927 10.256 651 HD1 TRP 93 1HD TRP 93 -4.824 0.466 8.458 652 HE1 TRP 93 1HE TRP 93 -5.496 2.246 6.719 653 HE3 TRP 93 3HE TRP 93 -9.832 -0.543 8.132 654 HZ2 TRP 93 2HZ TRP 93 -7.821 3.100 5.385 655 HZ3 TRP 93 3HZ TRP 93 -11.208 0.806 6.599 656 HH2 TRP 93 2HH TRP 93 -10.223 2.589 5.254 657 H VAL 94 H VAL 94 -4.934 -4.280 9.743 658 HA VAL 94 HA VAL 94 -7.036 -6.088 10.588 659 HB VAL 94 HB VAL 94 -4.043 -6.421 10.931 660 HG11 VAL 94 1HG1 VAL 94 -4.576 -8.832 11.005 661 HG12 VAL 94 2HG1 VAL 94 -6.294 -8.440 10.936 662 HG13 VAL 94 3HG1 VAL 94 -5.332 -7.939 12.326 663 HG21 VAL 94 1HG2 VAL 94 -4.116 -7.753 8.860 664 HG22 VAL 94 2HG2 VAL 94 -4.520 -6.061 8.587 665 HG23 VAL 94 3HG2 VAL 94 -5.795 -7.274 8.624 666 H TRP 95 H TRP 95 -7.896 -6.061 12.515 667 HA TRP 95 HA TRP 95 -6.321 -5.178 14.851 668 HB2 TRP 95 2HB TRP 95 -9.342 -5.152 14.654 669 HB3 TRP 95 1HB TRP 95 -8.330 -4.353 15.851 670 HD1 TRP 95 1HD TRP 95 -6.609 -2.389 14.575 671 HE1 TRP 95 1HE TRP 95 -7.382 -0.570 12.925 672 HE3 TRP 95 3HE TRP 95 -10.981 -4.519 13.014 673 HZ2 TRP 95 2HZ TRP 95 -9.553 -0.105 11.186 674 HZ3 TRP 95 3HZ TRP 95 -12.345 -3.326 11.350 675 HH2 TRP 95 2HH TRP 95 -11.647 -1.163 10.455 676 H ASN 96 H ASN 96 -8.024 -7.696 13.314 677 HA ASN 96 HA ASN 96 -7.682 -9.689 15.202 678 HB2 ASN 96 1HB ASN 96 -9.183 -8.437 16.673 679 HB3 ASN 96 2HB ASN 96 -10.406 -8.369 15.411 680 HD21 ASN 96 1HD2 ASN 96 -11.899 -11.079 16.992 681 HD22 ASN 96 2HD2 ASN 96 -11.974 -9.403 16.568 682 HA PRO 97 HA PRO 97 -11.393 -10.764 11.954 683 HB2 PRO 97 2HB PRO 97 -10.286 -8.788 9.979 684 HB3 PRO 97 1HB PRO 97 -11.938 -9.404 10.147 685 HG2 PRO 97 2HG PRO 97 -11.300 -7.002 11.085 686 HG3 PRO 97 1HG PRO 97 -12.390 -8.068 11.993 687 HD2 PRO 97 2HD PRO 97 -9.553 -7.353 12.535 688 HD3 PRO 97 1HD PRO 97 -10.849 -7.776 13.672 689 HA PRO 98 HA PRO 98 -8.096 -13.276 10.226 690 HB2 PRO 98 2HB PRO 98 -10.058 -15.268 9.529 691 HB3 PRO 98 1HB PRO 98 -8.955 -15.269 10.905 692 HG2 PRO 98 2HG PRO 98 -11.697 -15.035 11.105 693 HG3 PRO 98 1HG PRO 98 -10.548 -14.478 12.334 694 HD2 PRO 98 2HD PRO 98 -11.968 -12.907 10.210 695 HD3 PRO 98 1HD PRO 98 -11.637 -12.474 11.903 696 H TRP 99 H TRP 99 -9.126 -11.213 8.549 697 HA TRP 99 HA TRP 99 -9.233 -10.585 6.376 698 HB2 TRP 99 2HB TRP 99 -8.207 -13.377 5.784 699 HB3 TRP 99 1HB TRP 99 -8.155 -11.999 4.693 700 HD1 TRP 99 1HD TRP 99 -6.958 -9.786 6.568 701 HE1 TRP 99 1HE TRP 99 -4.529 -9.947 7.384 702 HE3 TRP 99 3HE TRP 99 -6.233 -14.815 5.960 703 HZ2 TRP 99 2HZ TRP 99 -2.568 -11.940 7.735 704 HZ3 TRP 99 3HZ TRP 99 -4.047 -15.766 6.560 705 HH2 TRP 99 2HH TRP 99 -2.249 -14.358 7.428 706 H GLY 100 H GLY 100 -9.850 -12.355 4.079 707 HA2 GLY 100 1HA GLY 100 -11.698 -13.564 3.218 708 HA3 GLY 100 2HA GLY 100 -12.590 -13.221 4.696 709 HA PRO 101 HA PRO 101 -14.555 -10.263 1.796 710 HB2 PRO 101 2HB PRO 101 -16.547 -9.572 3.582 711 HB3 PRO 101 1HB PRO 101 -16.646 -10.950 2.480 712 HG2 PRO 101 2HG PRO 101 -15.865 -10.894 5.375 713 HG3 PRO 101 1HG PRO 101 -16.913 -12.043 4.522 714 HD2 PRO 101 2HD PRO 101 -14.370 -12.656 5.118 715 HD3 PRO 101 1HD PRO 101 -15.105 -13.187 3.589 716 H ASP 102 H ASP 102 -13.416 -9.987 5.032 717 HA ASP 102 HA ASP 102 -13.632 -7.228 5.486 718 HB2 ASP 102 1HB ASP 102 -13.140 -8.965 7.210 719 HB3 ASP 102 2HB ASP 102 -11.526 -9.145 6.532 720 H LYS 103 H LYS 103 -11.710 -8.917 3.266 721 HA LYS 103 HA LYS 103 -9.462 -7.132 3.194 722 HB2 LYS 103 1HB LYS 103 -10.441 -9.143 1.152 723 HB3 LYS 103 2HB LYS 103 -8.936 -8.248 1.023 724 HG2 LYS 103 1HG LYS 103 -8.184 -9.343 3.138 725 HG3 LYS 103 2HG LYS 103 -9.644 -10.335 3.084 726 HD2 LYS 103 1HD LYS 103 -7.456 -10.233 0.995 727 HD3 LYS 103 2HD LYS 103 -7.779 -11.562 2.110 728 HE2 LYS 103 1HE LYS 103 -9.901 -12.002 1.051 729 HE3 LYS 103 2HE LYS 103 -9.746 -10.566 0.042 730 HZ1 LYS 103 1HZ LYS 103 -7.902 -11.569 -1.105 731 HZ2 LYS 103 2HZ LYS 103 -9.221 -12.624 -1.150 732 HZ3 LYS 103 3HZ LYS 103 -7.937 -12.921 -0.086 733 H ILE 104 H ILE 104 -12.664 -6.794 2.183 734 HA ILE 104 HA ILE 104 -11.892 -4.927 0.019 735 HB ILE 104 HB ILE 104 -14.471 -6.511 0.185 736 HG12 ILE 104 1HG1 ILE 104 -12.036 -6.972 -1.567 737 HG13 ILE 104 2HG1 ILE 104 -12.550 -7.996 -0.232 738 HG21 ILE 104 1HG2 ILE 104 -13.335 -4.805 -2.041 739 HG22 ILE 104 2HG2 ILE 104 -14.693 -4.379 -1.001 740 HG23 ILE 104 3HG2 ILE 104 -14.832 -5.737 -2.117 741 HD11 ILE 104 1HD1 ILE 104 -13.150 -8.955 -2.380 742 HD12 ILE 104 2HD1 ILE 104 -14.088 -7.515 -2.774 743 HD13 ILE 104 3HD1 ILE 104 -14.590 -8.557 -1.441 744 H THR 105 H THR 105 -12.754 -2.884 0.059 745 HA THR 105 HA THR 105 -14.194 -1.950 2.342 746 HB THR 105 HB THR 105 -14.535 0.099 0.675 747 HG1 THR 105 1HG THR 105 -12.951 0.115 -0.950 748 HG21 THR 105 1HG2 THR 105 -11.789 -0.625 1.718 749 HG22 THR 105 2HG2 THR 105 -13.075 0.114 2.671 750 HG23 THR 105 3HG2 THR 105 -12.365 0.993 1.316 751 H GLU 106 H GLU 106 -16.343 -1.180 2.415 752 HA GLU 106 HA GLU 106 -18.249 -2.744 0.983 753 HB2 GLU 106 1HB GLU 106 -18.582 -1.929 3.306 754 HB3 GLU 106 2HB GLU 106 -18.665 -0.281 2.703 755 HG2 GLU 106 1HG GLU 106 -20.699 -0.782 1.495 756 HG3 GLU 106 2HG GLU 106 -20.592 -2.480 1.961 757 H ASP 107 H ASP 107 -16.923 0.462 0.678 758 HA ASP 107 HA ASP 107 -18.759 1.674 -1.041 759 HB2 ASP 107 1HB ASP 107 -15.781 2.104 -1.316 760 HB3 ASP 107 2HB ASP 107 -17.080 3.277 -1.503 761 H GLY 108 H GLY 108 -15.792 -0.117 -1.839 762 HA2 GLY 108 1HA GLY 108 -16.147 0.021 -4.657 763 HA3 GLY 108 2HA GLY 108 -15.030 -1.035 -3.806 764 H ARG 109 H ARG 109 -17.209 -2.232 -2.218 765 HA ARG 109 HA ARG 109 -17.917 -4.358 -3.955 766 HB2 ARG 109 1HB ARG 109 -17.667 -4.590 -1.485 767 HB3 ARG 109 2HB ARG 109 -19.112 -3.616 -1.266 768 HG2 ARG 109 1HG ARG 109 -19.275 -6.112 -2.908 769 HG3 ARG 109 2HG ARG 109 -19.222 -6.235 -1.150 770 HD2 ARG 109 1HD ARG 109 -21.213 -4.911 -0.932 771 HD3 ARG 109 2HD ARG 109 -21.212 -4.530 -2.653 772 HE ARG 109 HE ARG 109 -21.353 -7.249 -2.582 773 HH11 ARG 109 1HH1 ARG 109 -23.244 -4.660 -1.172 774 HH12 ARG 109 2HH1 ARG 109 -24.731 -5.558 -1.215 775 HH21 ARG 109 1HH2 ARG 109 -23.302 -8.422 -2.655 776 HH22 ARG 109 2HH2 ARG 109 -24.759 -7.701 -2.047 777 H GLU 110 H GLU 110 -19.530 -1.444 -2.856 778 HA GLU 110 HA GLU 110 -22.085 -2.156 -3.942 779 HB2 GLU 110 1HB GLU 110 -20.988 0.439 -2.846 780 HB3 GLU 110 2HB GLU 110 -22.650 0.244 -3.392 781 HG2 GLU 110 1HG GLU 110 -21.345 -1.341 -1.180 782 HG3 GLU 110 2HG GLU 110 -22.420 0.038 -0.952 783 H GLN 111 H GLN 111 -19.669 0.338 -4.822 784 HA GLN 111 HA GLN 111 -20.551 0.138 -7.611 785 HB2 GLN 111 1HB GLN 111 -20.365 2.776 -6.126 786 HB3 GLN 111 2HB GLN 111 -20.729 2.574 -7.835 787 HG2 GLN 111 1HG GLN 111 -22.769 1.288 -7.171 788 HG3 GLN 111 2HG GLN 111 -22.428 1.710 -5.496 789 HE21 GLN 111 1HE2 GLN 111 -23.197 4.959 -7.840 790 HE22 GLN 111 2HE2 GLN 111 -21.985 3.815 -8.288 791 H LEU 112 H LEU 112 -19.073 1.524 -9.032 792 HA LEU 112 HA LEU 112 -16.423 0.550 -8.492 793 HB2 LEU 112 1HB LEU 112 -15.904 1.047 -10.743 794 HB3 LEU 112 2HB LEU 112 -17.541 0.427 -10.736 795 HG LEU 112 HG LEU 112 -16.787 3.352 -10.978 796 HD11 LEU 112 1HD1 LEU 112 -17.803 1.425 -13.069 797 HD12 LEU 112 2HD1 LEU 112 -16.159 2.060 -12.954 798 HD13 LEU 112 3HD1 LEU 112 -17.502 3.149 -13.296 799 HD21 LEU 112 1HD2 LEU 112 -19.484 2.010 -11.238 800 HD22 LEU 112 2HD2 LEU 112 -19.139 3.716 -11.531 801 HD23 LEU 112 3HD2 LEU 112 -18.968 3.048 -9.909 802 H ARG 113 H ARG 113 -14.557 2.030 -9.262 803 HA ARG 113 HA ARG 113 -14.097 3.888 -7.254 804 HB2 ARG 113 1HB ARG 113 -12.330 2.712 -8.481 805 HB3 ARG 113 2HB ARG 113 -12.720 3.608 -9.937 806 HG2 ARG 113 1HG ARG 113 -11.981 5.169 -7.517 807 HG3 ARG 113 2HG ARG 113 -10.706 4.275 -8.341 808 HD2 ARG 113 1HD ARG 113 -12.554 6.245 -9.693 809 HD3 ARG 113 2HD ARG 113 -10.944 6.641 -9.093 810 HE ARG 113 HE ARG 113 -11.393 4.583 -11.164 811 HH11 ARG 113 1HH1 ARG 113 -9.735 7.444 -10.004 812 HH12 ARG 113 2HH1 ARG 113 -8.575 7.450 -11.290 813 HH21 ARG 113 1HH2 ARG 113 -9.894 4.609 -12.874 814 HH22 ARG 113 2HH2 ARG 113 -8.667 5.838 -12.929 815 H ALA 114 H ALA 114 -15.393 4.343 -10.461 816 HA ALA 114 HA ALA 114 -15.089 7.108 -10.734 817 HB1 ALA 114 1HB ALA 114 -17.267 5.363 -11.878 818 HB2 ALA 114 2HB ALA 114 -15.665 5.603 -12.576 819 HB3 ALA 114 3HB ALA 114 -16.788 6.957 -12.461 820 H LEU 115 H LEU 115 -16.911 5.571 -8.390 821 HA LEU 115 HA LEU 115 -19.346 6.961 -8.428 822 HB2 LEU 115 1HB LEU 115 -19.069 4.942 -7.129 823 HB3 LEU 115 2HB LEU 115 -17.836 5.701 -6.137 824 HG LEU 115 HG LEU 115 -19.528 7.222 -5.192 825 HD11 LEU 115 1HD1 LEU 115 -21.909 6.854 -5.609 826 HD12 LEU 115 2HD1 LEU 115 -21.509 5.659 -6.843 827 HD13 LEU 115 3HD1 LEU 115 -21.061 7.349 -7.074 828 HD21 LEU 115 1HD2 LEU 115 -19.050 5.150 -4.026 829 HD22 LEU 115 2HD2 LEU 115 -20.247 4.296 -5.001 830 HD23 LEU 115 3HD2 LEU 115 -20.761 5.551 -3.873 831 H GLY 116 H GLY 116 -16.224 7.827 -6.989 832 HA2 GLY 116 1HA GLY 116 -16.008 10.367 -7.179 833 HA3 GLY 116 2HA GLY 116 -17.430 10.401 -6.154 834 H PHE 117 H PHE 117 -15.797 7.831 -4.993 835 HA PHE 117 HA PHE 117 -14.702 9.362 -2.808 836 HB2 PHE 117 2HB PHE 117 -14.085 7.144 -1.850 837 HB3 PHE 117 1HB PHE 117 -15.790 7.294 -2.242 838 HD1 PHE 117 1HD PHE 117 -12.628 5.651 -3.129 839 HD2 PHE 117 2HD PHE 117 -16.790 5.958 -3.981 840 HE1 PHE 117 1HE PHE 117 -12.518 3.552 -4.407 841 HE2 PHE 117 2HE PHE 117 -16.683 3.860 -5.263 842 HZ PHE 117 HZ PHE 117 -14.546 2.654 -5.473 843 H THR 118 H THR 118 -13.567 9.156 -5.696 844 HA THR 118 HA THR 118 -10.751 9.149 -4.850 845 HB THR 118 HB THR 118 -11.600 8.159 -7.578 846 HG1 THR 118 1HG THR 118 -10.964 6.066 -6.117 847 HG21 THR 118 1HG2 THR 118 -9.233 8.751 -7.260 848 HG22 THR 118 2HG2 THR 118 -9.424 7.014 -7.497 849 HG23 THR 118 3HG2 THR 118 -9.143 7.657 -5.879 850 H VAL 119 H VAL 119 -12.660 11.272 -5.088 851 HA VAL 119 HA VAL 119 -12.408 12.635 -7.571 852 HB VAL 119 HB VAL 119 -14.351 13.041 -6.209 853 HG11 VAL 119 1HG1 VAL 119 -14.250 14.205 -4.045 854 HG12 VAL 119 2HG1 VAL 119 -12.487 14.140 -4.103 855 HG13 VAL 119 3HG1 VAL 119 -13.422 12.648 -3.998 856 HG21 VAL 119 1HG2 VAL 119 -12.616 15.511 -6.324 857 HG22 VAL 119 2HG2 VAL 119 -14.370 15.496 -6.144 858 HG23 VAL 119 3HG2 VAL 119 -13.632 14.883 -7.622 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 24.001 -9.638 -1.779 2 H2 GLY 1 2H GLY 1 22.880 -9.576 -3.043 3 H3 GLY 1 3H GLY 1 24.001 -10.835 -2.973 4 HA2 GLY 1 1HA GLY 1 23.000 -11.684 -0.962 5 HA3 GLY 1 2HA GLY 1 21.854 -10.350 -0.989 6 HA PRO 2 HA PRO 2 19.780 -13.933 -3.116 7 HB2 PRO 2 2HB PRO 2 17.401 -12.665 -1.878 8 HB3 PRO 2 1HB PRO 2 17.921 -14.354 -1.836 9 HG2 PRO 2 2HG PRO 2 18.113 -12.789 0.331 10 HG3 PRO 2 1HG PRO 2 19.344 -14.012 -0.035 11 HD2 PRO 2 2HD PRO 2 19.431 -11.044 -0.476 12 HD3 PRO 2 1HD PRO 2 20.703 -12.132 0.124 13 H GLY 3 H GLY 3 19.090 -10.512 -2.864 14 HA2 GLY 3 1HA GLY 3 19.114 -9.734 -5.408 15 HA3 GLY 3 2HA GLY 3 17.515 -10.466 -5.310 16 H SER 4 H SER 4 15.909 -9.165 -4.768 17 HA SER 4 HA SER 4 16.092 -7.160 -2.755 18 HB2 SER 4 1HB SER 4 15.559 -5.231 -4.344 19 HB3 SER 4 2HB SER 4 17.220 -5.823 -4.399 20 HG SER 4 HG SER 4 15.990 -7.273 -6.144 21 H MET 5 H MET 5 13.950 -5.800 -2.807 22 HA MET 5 HA MET 5 11.775 -7.640 -2.964 23 HB2 MET 5 1HB MET 5 10.365 -5.762 -2.268 24 HB3 MET 5 2HB MET 5 11.812 -5.855 -1.276 25 HG2 MET 5 1HG MET 5 11.411 -3.954 -3.580 26 HG3 MET 5 2HG MET 5 11.203 -3.553 -1.875 27 HE1 MET 5 1HE MET 5 12.886 -1.494 -2.260 28 HE2 MET 5 2HE MET 5 13.113 -1.970 -3.944 29 HE3 MET 5 3HE MET 5 14.514 -1.681 -2.911 30 H SER 6 H SER 6 10.095 -7.736 -4.418 31 HA SER 6 HA SER 6 10.064 -5.945 -6.707 32 HB2 SER 6 1HB SER 6 11.590 -7.862 -7.317 33 HB3 SER 6 2HB SER 6 10.220 -8.951 -7.098 34 HG SER 6 HG SER 6 10.291 -6.762 -8.909 35 H GLU 7 H GLU 7 8.142 -5.242 -5.855 36 HA GLU 7 HA GLU 7 5.995 -6.836 -5.030 37 HB2 GLU 7 1HB GLU 7 6.123 -3.993 -6.061 38 HB3 GLU 7 2HB GLU 7 4.651 -4.715 -5.428 39 HG2 GLU 7 1HG GLU 7 6.004 -3.275 -3.828 40 HG3 GLU 7 2HG GLU 7 5.507 -4.862 -3.249 41 H THR 8 H THR 8 5.218 -8.373 -6.302 42 HA THR 8 HA THR 8 5.453 -8.484 -9.062 43 HB THR 8 HB THR 8 5.254 -10.510 -7.827 44 HG1 THR 8 1HG THR 8 2.864 -10.240 -9.358 45 HG21 THR 8 1HG2 THR 8 2.465 -9.642 -7.043 46 HG22 THR 8 2HG2 THR 8 3.864 -9.735 -5.973 47 HG23 THR 8 3HG2 THR 8 3.197 -11.204 -6.683 48 H SER 9 H SER 9 4.650 -6.630 -10.025 49 HA SER 9 HA SER 9 1.997 -6.932 -11.016 50 HB2 SER 9 1HB SER 9 1.541 -5.723 -8.862 51 HB3 SER 9 2HB SER 9 2.562 -4.400 -9.426 52 HG SER 9 HG SER 9 0.038 -5.231 -10.335 53 H ALA 10 H ALA 10 1.940 -6.137 -13.067 54 HA ALA 10 HA ALA 10 2.560 -5.101 -15.000 55 HB1 ALA 10 1HB ALA 10 4.318 -3.368 -13.248 56 HB2 ALA 10 2HB ALA 10 2.653 -3.016 -13.703 57 HB3 ALA 10 3HB ALA 10 3.909 -3.060 -14.937 58 HA PRO 11 HA PRO 11 6.212 -7.238 -16.375 59 HB2 PRO 11 2HB PRO 11 7.281 -5.521 -18.237 60 HB3 PRO 11 1HB PRO 11 5.883 -6.558 -18.540 61 HG2 PRO 11 2HG PRO 11 5.957 -3.657 -17.780 62 HG3 PRO 11 1HG PRO 11 4.953 -4.474 -18.995 63 HD2 PRO 11 2HD PRO 11 3.970 -3.817 -16.589 64 HD3 PRO 11 1HD PRO 11 3.491 -5.323 -17.399 65 H ALA 12 H ALA 12 8.492 -7.300 -16.193 66 HA ALA 12 HA ALA 12 9.434 -6.267 -13.820 67 HB1 ALA 12 1HB ALA 12 11.096 -7.233 -16.145 68 HB2 ALA 12 2HB ALA 12 10.351 -8.254 -14.915 69 HB3 ALA 12 3HB ALA 12 11.622 -7.117 -14.464 70 H GLU 13 H GLU 13 10.150 -5.051 -17.103 71 HA GLU 13 HA GLU 13 12.140 -3.237 -16.339 72 HB2 GLU 13 1HB GLU 13 10.255 -3.045 -18.701 73 HB3 GLU 13 2HB GLU 13 11.742 -2.124 -18.506 74 HG2 GLU 13 1HG GLU 13 12.882 -4.438 -18.307 75 HG3 GLU 13 2HG GLU 13 11.395 -5.053 -19.026 76 H GLU 14 H GLU 14 8.649 -2.712 -16.764 77 HA GLU 14 HA GLU 14 8.740 0.033 -15.970 78 HB2 GLU 14 1HB GLU 14 6.456 -1.947 -16.165 79 HB3 GLU 14 2HB GLU 14 6.236 -0.253 -15.742 80 HG2 GLU 14 1HG GLU 14 7.078 0.446 -17.886 81 HG3 GLU 14 2HG GLU 14 7.482 -1.217 -18.309 82 H LEU 15 H LEU 15 8.067 -3.010 -14.361 83 HA LEU 15 HA LEU 15 7.020 -2.128 -11.952 84 HB2 LEU 15 1HB LEU 15 7.309 -4.516 -12.899 85 HB3 LEU 15 2HB LEU 15 8.910 -4.475 -12.197 86 HG LEU 15 HG LEU 15 6.322 -4.225 -10.640 87 HD11 LEU 15 1HD1 LEU 15 6.818 -6.493 -9.853 88 HD12 LEU 15 2HD1 LEU 15 8.207 -6.563 -10.938 89 HD13 LEU 15 3HD1 LEU 15 6.576 -6.445 -11.599 90 HD21 LEU 15 1HD2 LEU 15 8.176 -3.083 -9.524 91 HD22 LEU 15 2HD2 LEU 15 9.162 -4.543 -9.653 92 HD23 LEU 15 3HD2 LEU 15 7.710 -4.545 -8.652 93 H LEU 16 H LEU 16 10.388 -2.623 -12.918 94 HA LEU 16 HA LEU 16 11.661 -2.127 -10.507 95 HB2 LEU 16 1HB LEU 16 12.774 -2.954 -12.553 96 HB3 LEU 16 2HB LEU 16 12.610 -1.365 -13.276 97 HG LEU 16 HG LEU 16 14.075 -0.432 -11.494 98 HD11 LEU 16 1HD1 LEU 16 13.635 -2.070 -9.747 99 HD12 LEU 16 2HD1 LEU 16 15.361 -1.965 -10.082 100 HD13 LEU 16 3HD1 LEU 16 14.426 -3.327 -10.702 101 HD21 LEU 16 1HD2 LEU 16 15.005 -1.078 -13.663 102 HD22 LEU 16 2HD2 LEU 16 15.280 -2.717 -13.066 103 HD23 LEU 16 3HD2 LEU 16 16.163 -1.360 -12.361 104 H ALA 17 H ALA 17 11.090 0.250 -13.118 105 HA ALA 17 HA ALA 17 12.030 2.479 -11.693 106 HB1 ALA 17 1HB ALA 17 10.913 3.826 -13.411 107 HB2 ALA 17 2HB ALA 17 10.025 2.402 -13.956 108 HB3 ALA 17 3HB ALA 17 11.779 2.467 -14.128 109 H ASP 18 H ASP 18 8.716 1.333 -12.233 110 HA ASP 18 HA ASP 18 7.374 3.403 -10.928 111 HB2 ASP 18 1HB ASP 18 6.600 0.531 -11.473 112 HB3 ASP 18 2HB ASP 18 5.504 1.654 -10.671 113 H VAL 19 H VAL 19 8.565 0.301 -9.662 114 HA VAL 19 HA VAL 19 7.430 0.753 -7.081 115 HB VAL 19 HB VAL 19 8.023 -1.537 -8.050 116 HG11 VAL 19 1HG1 VAL 19 10.258 -2.410 -7.535 117 HG12 VAL 19 2HG1 VAL 19 10.771 -0.797 -7.031 118 HG13 VAL 19 3HG1 VAL 19 10.328 -1.099 -8.714 119 HG21 VAL 19 1HG2 VAL 19 7.252 -1.196 -5.760 120 HG22 VAL 19 2HG2 VAL 19 8.909 -0.888 -5.238 121 HG23 VAL 19 3HG2 VAL 19 8.456 -2.482 -5.842 122 H GLU 20 H GLU 20 10.638 1.301 -8.512 123 HA GLU 20 HA GLU 20 11.979 1.885 -6.112 124 HB2 GLU 20 1HB GLU 20 12.505 2.845 -8.927 125 HB3 GLU 20 2HB GLU 20 13.543 3.261 -7.569 126 HG2 GLU 20 1HG GLU 20 13.798 0.764 -7.182 127 HG3 GLU 20 2HG GLU 20 13.042 0.548 -8.760 128 H GLU 21 H GLU 21 10.202 4.021 -8.359 129 HA GLU 21 HA GLU 21 10.706 6.342 -6.764 130 HB2 GLU 21 1HB GLU 21 9.031 7.464 -8.125 131 HB3 GLU 21 2HB GLU 21 10.137 6.543 -9.132 132 HG2 GLU 21 1HG GLU 21 8.466 4.785 -9.383 133 HG3 GLU 21 2HG GLU 21 7.356 5.684 -8.348 134 H ALA 22 H ALA 22 7.969 4.079 -6.995 135 HA ALA 22 HA ALA 22 6.247 5.337 -5.191 136 HB1 ALA 22 1HB ALA 22 5.573 3.466 -6.631 137 HB2 ALA 22 2HB ALA 22 5.159 3.169 -4.943 138 HB3 ALA 22 3HB ALA 22 6.555 2.368 -5.661 139 H MET 23 H MET 23 8.987 3.227 -4.646 140 HA MET 23 HA MET 23 8.571 2.645 -1.928 141 HB2 MET 23 1HB MET 23 10.989 2.585 -3.708 142 HB3 MET 23 2HB MET 23 11.173 2.323 -1.979 143 HG2 MET 23 1HG MET 23 9.368 0.707 -3.778 144 HG3 MET 23 2HG MET 23 10.992 0.232 -3.280 145 HE1 MET 23 1HE MET 23 8.277 -1.526 -2.841 146 HE2 MET 23 2HE MET 23 8.644 -2.178 -1.243 147 HE3 MET 23 3HE MET 23 9.914 -2.063 -2.463 148 H ARG 24 H ARG 24 9.415 5.583 -3.394 149 HA ARG 24 HA ARG 24 10.904 6.745 -1.237 150 HB2 ARG 24 1HB ARG 24 11.053 7.722 -3.424 151 HB3 ARG 24 2HB ARG 24 9.309 7.908 -3.528 152 HG2 ARG 24 1HG ARG 24 9.542 9.505 -1.534 153 HG3 ARG 24 2HG ARG 24 11.270 9.495 -1.899 154 HD2 ARG 24 1HD ARG 24 10.076 11.377 -2.974 155 HD3 ARG 24 2HD ARG 24 10.840 10.296 -4.143 156 HE ARG 24 HE ARG 24 7.969 10.068 -3.478 157 HH11 ARG 24 1HH1 ARG 24 10.516 10.500 -5.861 158 HH12 ARG 24 2HH1 ARG 24 9.450 10.257 -7.213 159 HH21 ARG 24 1HH2 ARG 24 6.594 9.731 -5.243 160 HH22 ARG 24 2HH2 ARG 24 7.222 9.836 -6.866 161 H ASP 25 H ASP 25 7.478 6.247 -1.850 162 HA ASP 25 HA ASP 25 6.830 8.110 0.368 163 HB2 ASP 25 1HB ASP 25 5.099 7.379 -2.017 164 HB3 ASP 25 2HB ASP 25 4.650 8.483 -0.722 165 H VAL 26 H VAL 26 6.439 5.031 -1.074 166 HA VAL 26 HA VAL 26 4.512 4.067 0.845 167 HB VAL 26 HB VAL 26 5.946 2.710 -1.460 168 HG11 VAL 26 1HG1 VAL 26 3.602 1.801 0.180 169 HG12 VAL 26 2HG1 VAL 26 5.218 1.103 0.161 170 HG13 VAL 26 3HG1 VAL 26 4.204 1.009 -1.275 171 HG21 VAL 26 1HG2 VAL 26 3.166 3.889 -1.309 172 HG22 VAL 26 2HG2 VAL 26 3.809 2.962 -2.664 173 HG23 VAL 26 3HG2 VAL 26 4.522 4.518 -2.246 174 H VAL 27 H VAL 27 6.495 4.856 2.319 175 HA VAL 27 HA VAL 27 7.617 2.560 3.554 176 HB VAL 27 HB VAL 27 9.092 2.885 1.452 177 HG11 VAL 27 1HG1 VAL 27 9.265 5.311 1.531 178 HG12 VAL 27 2HG1 VAL 27 10.865 4.574 1.638 179 HG13 VAL 27 3HG1 VAL 27 10.095 5.220 3.087 180 HG21 VAL 27 1HG2 VAL 27 10.437 2.886 4.157 181 HG22 VAL 27 2HG2 VAL 27 11.157 2.343 2.644 182 HG23 VAL 27 3HG2 VAL 27 9.781 1.480 3.321 183 H ASP 28 H ASP 28 9.129 3.265 5.376 184 HA ASP 28 HA ASP 28 8.715 6.090 6.104 185 HB2 ASP 28 1HB ASP 28 7.849 4.558 7.806 186 HB3 ASP 28 2HB ASP 28 9.398 3.718 7.867 187 HA PRO 29 HA PRO 29 13.142 5.871 5.076 188 HB2 PRO 29 2HB PRO 29 13.301 8.261 3.805 189 HB3 PRO 29 1HB PRO 29 12.715 6.799 3.015 190 HG2 PRO 29 2HG PRO 29 11.201 9.150 3.993 191 HG3 PRO 29 1HG PRO 29 10.826 8.035 2.664 192 HD2 PRO 29 2HD PRO 29 9.722 8.007 5.277 193 HD3 PRO 29 1HD PRO 29 9.528 6.768 4.025 194 H GLU 30 H GLU 30 11.301 7.661 7.179 195 HA GLU 30 HA GLU 30 13.183 9.570 8.130 196 HB2 GLU 30 1HB GLU 30 10.801 9.768 8.648 197 HB3 GLU 30 2HB GLU 30 10.830 8.233 9.499 198 HG2 GLU 30 1HG GLU 30 10.791 10.083 11.062 199 HG3 GLU 30 2HG GLU 30 12.304 9.190 11.198 200 H LEU 31 H LEU 31 12.132 6.435 9.461 201 HA LEU 31 HA LEU 31 14.655 6.254 10.957 202 HB2 LEU 31 1HB LEU 31 12.168 4.544 11.188 203 HB3 LEU 31 2HB LEU 31 13.556 4.512 12.261 204 HG LEU 31 HG LEU 31 11.613 6.809 11.940 205 HD11 LEU 31 1HD1 LEU 31 12.053 4.898 14.235 206 HD12 LEU 31 2HD1 LEU 31 10.670 4.906 13.140 207 HD13 LEU 31 3HD1 LEU 31 10.941 6.271 14.223 208 HD21 LEU 31 1HD2 LEU 31 14.026 6.522 13.738 209 HD22 LEU 31 2HD2 LEU 31 12.829 7.813 13.841 210 HD23 LEU 31 3HD2 LEU 31 13.837 7.660 12.402 211 H GLY 32 H GLY 32 12.977 4.965 8.244 212 HA2 GLY 32 1HA GLY 32 14.084 3.878 6.481 213 HA3 GLY 32 2HA GLY 32 15.361 3.404 7.588 214 H ILE 33 H ILE 33 11.815 2.900 7.588 215 HA ILE 33 HA ILE 33 12.337 -0.010 7.456 216 HB ILE 33 HB ILE 33 10.102 1.235 9.079 217 HG12 ILE 33 1HG1 ILE 33 11.417 0.074 11.014 218 HG13 ILE 33 2HG1 ILE 33 12.791 0.167 9.918 219 HG21 ILE 33 1HG2 ILE 33 10.976 -1.637 8.774 220 HG22 ILE 33 2HG2 ILE 33 9.492 -0.914 8.158 221 HG23 ILE 33 3HG2 ILE 33 9.741 -1.065 9.896 222 HD11 ILE 33 1HD1 ILE 33 12.534 2.595 9.821 223 HD12 ILE 33 2HD1 ILE 33 12.778 2.019 11.472 224 HD13 ILE 33 3HD1 ILE 33 11.166 2.487 10.927 225 H ASN 34 H ASN 34 11.039 -1.143 6.097 226 HA ASN 34 HA ASN 34 9.040 0.368 4.556 227 HB2 ASN 34 1HB ASN 34 10.797 -0.833 3.266 228 HB3 ASN 34 2HB ASN 34 10.249 -2.354 3.965 229 HD21 ASN 34 1HD2 ASN 34 8.272 -0.651 0.874 230 HD22 ASN 34 2HD2 ASN 34 9.601 0.131 1.651 231 H VAL 35 H VAL 35 6.899 -0.315 4.446 232 HA VAL 35 HA VAL 35 5.875 -1.384 6.816 233 HB VAL 35 HB VAL 35 3.682 -1.416 5.685 234 HG11 VAL 35 1HG1 VAL 35 3.586 0.991 5.160 235 HG12 VAL 35 2HG1 VAL 35 5.350 1.049 5.132 236 HG13 VAL 35 3HG1 VAL 35 4.503 0.672 6.634 237 HG21 VAL 35 1HG2 VAL 35 5.261 -0.708 3.201 238 HG22 VAL 35 2HG2 VAL 35 3.504 -0.671 3.339 239 HG23 VAL 35 3HG2 VAL 35 4.366 -2.202 3.481 240 H VAL 36 H VAL 36 6.602 -2.933 3.736 241 HA VAL 36 HA VAL 36 5.262 -5.365 4.114 242 HB VAL 36 HB VAL 36 7.860 -4.892 2.616 243 HG11 VAL 36 1HG1 VAL 36 7.274 -6.909 1.345 244 HG12 VAL 36 2HG1 VAL 36 5.875 -7.160 2.389 245 HG13 VAL 36 3HG1 VAL 36 7.505 -7.267 3.057 246 HG21 VAL 36 1HG2 VAL 36 6.430 -4.704 0.625 247 HG22 VAL 36 2HG2 VAL 36 6.060 -3.452 1.811 248 HG23 VAL 36 3HG2 VAL 36 4.998 -4.851 1.643 249 H ASP 37 H ASP 37 8.129 -4.112 5.564 250 HA ASP 37 HA ASP 37 9.407 -6.531 6.268 251 HB2 ASP 37 1HB ASP 37 10.545 -4.347 6.301 252 HB3 ASP 37 2HB ASP 37 9.529 -3.835 7.642 253 H LEU 38 H LEU 38 6.642 -4.900 7.578 254 HA LEU 38 HA LEU 38 6.660 -6.097 10.172 255 HB2 LEU 38 1HB LEU 38 4.335 -5.077 8.523 256 HB3 LEU 38 2HB LEU 38 4.267 -5.464 10.233 257 HG LEU 38 HG LEU 38 5.940 -3.262 8.998 258 HD11 LEU 38 1HD1 LEU 38 4.381 -1.747 10.141 259 HD12 LEU 38 2HD1 LEU 38 3.401 -3.130 10.626 260 HD13 LEU 38 3HD1 LEU 38 3.576 -2.728 8.918 261 HD21 LEU 38 1HD2 LEU 38 6.981 -4.229 10.999 262 HD22 LEU 38 2HD2 LEU 38 5.490 -3.964 11.903 263 HD23 LEU 38 3HD2 LEU 38 6.408 -2.587 11.293 264 H GLY 39 H GLY 39 6.068 -7.257 7.063 265 HA2 GLY 39 1HA GLY 39 5.691 -9.343 6.245 266 HA3 GLY 39 2HA GLY 39 5.965 -9.940 7.871 267 H LEU 40 H LEU 40 3.373 -7.688 7.573 268 HA LEU 40 HA LEU 40 1.424 -9.877 7.434 269 HB2 LEU 40 1HB LEU 40 1.113 -8.194 9.221 270 HB3 LEU 40 2HB LEU 40 0.961 -6.940 8.003 271 HG LEU 40 HG LEU 40 -1.088 -7.980 7.145 272 HD11 LEU 40 1HD1 LEU 40 -0.549 -10.314 7.629 273 HD12 LEU 40 2HD1 LEU 40 -2.121 -9.873 8.288 274 HD13 LEU 40 3HD1 LEU 40 -0.726 -10.005 9.358 275 HD21 LEU 40 1HD2 LEU 40 -1.199 -7.626 10.144 276 HD22 LEU 40 2HD2 LEU 40 -2.556 -7.520 9.022 277 HD23 LEU 40 3HD2 LEU 40 -1.263 -6.325 8.954 278 H VAL 41 H VAL 41 2.782 -7.291 5.638 279 HA VAL 41 HA VAL 41 0.669 -6.729 3.860 280 HB VAL 41 HB VAL 41 3.628 -6.345 3.333 281 HG11 VAL 41 1HG1 VAL 41 2.204 -5.991 1.362 282 HG12 VAL 41 2HG1 VAL 41 2.926 -4.482 1.920 283 HG13 VAL 41 3HG1 VAL 41 1.234 -4.833 2.274 284 HG21 VAL 41 1HG2 VAL 41 1.702 -4.534 4.793 285 HG22 VAL 41 2HG2 VAL 41 3.348 -4.108 4.327 286 HG23 VAL 41 3HG2 VAL 41 3.069 -5.397 5.498 287 H TYR 42 H TYR 42 2.456 -9.524 4.121 288 HA TYR 42 HA TYR 42 2.667 -10.269 1.373 289 HB2 TYR 42 2HB TYR 42 2.574 -11.982 3.875 290 HB3 TYR 42 1HB TYR 42 2.940 -12.587 2.263 291 HD1 TYR 42 1HD TYR 42 4.833 -10.898 1.080 292 HD2 TYR 42 2HD TYR 42 4.451 -11.839 5.218 293 HE1 TYR 42 1HE TYR 42 7.216 -10.389 1.410 294 HE2 TYR 42 2HE TYR 42 6.833 -11.330 5.556 295 HH TYR 42 HH TYR 42 8.710 -9.697 3.294 296 H GLY 43 H GLY 43 0.095 -9.968 3.565 297 HA2 GLY 43 1HA GLY 43 -1.708 -11.780 2.216 298 HA3 GLY 43 2HA GLY 43 -2.120 -10.632 3.484 299 H LEU 44 H LEU 44 -0.974 -10.634 0.119 300 HA LEU 44 HA LEU 44 -2.632 -8.276 -0.401 301 HB2 LEU 44 1HB LEU 44 -1.389 -8.143 -2.555 302 HB3 LEU 44 2HB LEU 44 -0.380 -7.985 -1.135 303 HG LEU 44 HG LEU 44 0.055 -10.560 -1.521 304 HD11 LEU 44 1HD1 LEU 44 -1.559 -10.839 -3.337 305 HD12 LEU 44 2HD1 LEU 44 0.080 -11.181 -3.881 306 HD13 LEU 44 3HD1 LEU 44 -0.687 -9.652 -4.303 307 HD21 LEU 44 1HD2 LEU 44 1.310 -8.416 -3.243 308 HD22 LEU 44 2HD2 LEU 44 2.019 -9.985 -2.857 309 HD23 LEU 44 3HD2 LEU 44 1.755 -8.799 -1.580 310 H ASP 45 H ASP 45 -4.357 -8.327 -1.735 311 HA ASP 45 HA ASP 45 -4.971 -10.754 -3.243 312 HB2 ASP 45 1HB ASP 45 -5.970 -11.092 -0.998 313 HB3 ASP 45 2HB ASP 45 -6.820 -9.561 -1.143 314 H VAL 46 H VAL 46 -5.240 -9.891 -5.236 315 HA VAL 46 HA VAL 46 -6.709 -7.337 -5.422 316 HB VAL 46 HB VAL 46 -5.509 -6.782 -7.426 317 HG11 VAL 46 1HG1 VAL 46 -3.204 -6.607 -6.593 318 HG12 VAL 46 2HG1 VAL 46 -3.572 -7.782 -5.330 319 HG13 VAL 46 3HG1 VAL 46 -4.384 -6.216 -5.342 320 HG21 VAL 46 1HG2 VAL 46 -5.341 -9.001 -8.421 321 HG22 VAL 46 2HG2 VAL 46 -4.144 -9.469 -7.211 322 HG23 VAL 46 3HG2 VAL 46 -3.767 -8.208 -8.387 323 H GLN 47 H GLN 47 -8.307 -7.123 -6.949 324 HA GLN 47 HA GLN 47 -8.999 -9.473 -8.556 325 HB2 GLN 47 1HB GLN 47 -11.384 -9.226 -7.937 326 HB3 GLN 47 2HB GLN 47 -10.382 -9.659 -6.559 327 HG2 GLN 47 1HG GLN 47 -10.413 -7.358 -5.784 328 HG3 GLN 47 2HG GLN 47 -11.366 -6.878 -7.185 329 HE21 GLN 47 1HE2 GLN 47 -13.468 -7.479 -4.112 330 HE22 GLN 47 2HE2 GLN 47 -11.982 -6.633 -4.362 331 H ASP 48 H ASP 48 -9.341 -8.925 -10.588 332 HA ASP 48 HA ASP 48 -9.609 -6.098 -11.253 333 HB2 ASP 48 1HB ASP 48 -9.128 -6.803 -13.571 334 HB3 ASP 48 2HB ASP 48 -7.881 -7.315 -12.444 335 H GLY 49 H GLY 49 -11.706 -5.701 -10.693 336 HA2 GLY 49 1HA GLY 49 -13.895 -7.303 -11.621 337 HA3 GLY 49 2HA GLY 49 -14.007 -5.724 -10.853 338 H ASP 50 H ASP 50 -15.452 -6.761 -13.172 339 HA ASP 50 HA ASP 50 -14.398 -5.653 -15.558 340 HB2 ASP 50 1HB ASP 50 -16.636 -6.050 -16.504 341 HB3 ASP 50 2HB ASP 50 -16.064 -7.448 -15.602 342 H GLU 51 H GLU 51 -16.014 -4.288 -12.864 343 HA GLU 51 HA GLU 51 -16.574 -1.797 -14.302 344 HB2 GLU 51 1HB GLU 51 -17.211 -2.670 -11.477 345 HB3 GLU 51 2HB GLU 51 -17.571 -1.071 -12.114 346 HG2 GLU 51 1HG GLU 51 -18.689 -3.690 -13.091 347 HG3 GLU 51 2HG GLU 51 -19.544 -2.450 -12.173 348 H GLY 52 H GLY 52 -14.194 -3.206 -12.247 349 HA2 GLY 52 1HA GLY 52 -12.450 -1.000 -12.419 350 HA3 GLY 52 2HA GLY 52 -13.253 -0.966 -10.859 351 H THR 53 H THR 53 -10.450 -1.714 -12.102 352 HA THR 53 HA THR 53 -9.974 -4.296 -10.867 353 HB THR 53 HB THR 53 -7.961 -2.331 -11.992 354 HG1 THR 53 1HG THR 53 -8.182 -3.475 -13.936 355 HG21 THR 53 1HG2 THR 53 -6.972 -4.068 -10.582 356 HG22 THR 53 2HG2 THR 53 -6.543 -4.321 -12.274 357 HG23 THR 53 3HG2 THR 53 -7.791 -5.315 -11.523 358 H VAL 54 H VAL 54 -9.841 -4.367 -8.695 359 HA VAL 54 HA VAL 54 -8.658 -2.050 -7.303 360 HB VAL 54 HB VAL 54 -11.039 -2.226 -6.824 361 HG11 VAL 54 1HG1 VAL 54 -11.378 -4.601 -7.221 362 HG12 VAL 54 2HG1 VAL 54 -11.977 -4.152 -5.624 363 HG13 VAL 54 3HG1 VAL 54 -10.435 -4.995 -5.783 364 HG21 VAL 54 1HG2 VAL 54 -9.319 -3.021 -4.471 365 HG22 VAL 54 2HG2 VAL 54 -10.933 -2.316 -4.361 366 HG23 VAL 54 3HG2 VAL 54 -9.609 -1.381 -5.058 367 H ALA 55 H ALA 55 -7.018 -2.370 -5.958 368 HA ALA 55 HA ALA 55 -6.031 -5.123 -5.562 369 HB1 ALA 55 1HB ALA 55 -3.864 -4.060 -5.092 370 HB2 ALA 55 2HB ALA 55 -4.590 -2.471 -5.328 371 HB3 ALA 55 3HB ALA 55 -4.485 -3.598 -6.677 372 H LEU 56 H LEU 56 -6.504 -5.977 -3.616 373 HA LEU 56 HA LEU 56 -6.977 -4.210 -1.321 374 HB2 LEU 56 1HB LEU 56 -7.339 -7.191 -1.244 375 HB3 LEU 56 2HB LEU 56 -8.198 -5.951 -0.348 376 HG LEU 56 HG LEU 56 -8.532 -6.513 -3.298 377 HD11 LEU 56 1HD1 LEU 56 -10.385 -7.180 -1.013 378 HD12 LEU 56 2HD1 LEU 56 -9.397 -8.333 -1.907 379 HD13 LEU 56 3HD1 LEU 56 -10.690 -7.464 -2.728 380 HD21 LEU 56 1HD2 LEU 56 -10.102 -4.689 -1.470 381 HD22 LEU 56 2HD2 LEU 56 -10.456 -5.016 -3.168 382 HD23 LEU 56 3HD2 LEU 56 -8.972 -4.174 -2.723 383 H ILE 57 H ILE 57 -5.531 -4.064 0.313 384 HA ILE 57 HA ILE 57 -3.328 -6.028 0.426 385 HB ILE 57 HB ILE 57 -3.053 -3.036 0.850 386 HG12 ILE 57 1HG1 ILE 57 -2.018 -4.754 -1.430 387 HG13 ILE 57 2HG1 ILE 57 -3.377 -3.640 -1.538 388 HG21 ILE 57 1HG2 ILE 57 -0.948 -5.204 0.822 389 HG22 ILE 57 2HG2 ILE 57 -1.553 -4.374 2.254 390 HG23 ILE 57 3HG2 ILE 57 -0.659 -3.474 1.030 391 HD11 ILE 57 1HD1 ILE 57 -1.875 -1.769 -1.065 392 HD12 ILE 57 2HD1 ILE 57 -1.373 -2.671 -2.495 393 HD13 ILE 57 3HD1 ILE 57 -0.514 -2.890 -0.969 394 H ASP 58 H ASP 58 -3.369 -7.044 2.338 395 HA ASP 58 HA ASP 58 -4.751 -5.866 4.600 396 HB2 ASP 58 1HB ASP 58 -3.411 -8.549 4.173 397 HB3 ASP 58 2HB ASP 58 -4.099 -8.063 5.722 398 H MET 59 H MET 59 -3.769 -4.538 5.962 399 HA MET 59 HA MET 59 -0.958 -5.018 6.672 400 HB2 MET 59 1HB MET 59 -2.098 -2.303 5.947 401 HB3 MET 59 2HB MET 59 -0.529 -2.561 6.690 402 HG2 MET 59 1HG MET 59 -0.199 -4.125 4.576 403 HG3 MET 59 2HG MET 59 -1.410 -3.038 3.900 404 HE1 MET 59 1HE MET 59 -1.079 -0.315 3.946 405 HE2 MET 59 2HE MET 59 0.446 0.472 4.355 406 HE3 MET 59 3HE MET 59 -0.526 -0.287 5.621 407 H THR 60 H THR 60 -0.304 -3.731 8.581 408 HA THR 60 HA THR 60 -2.286 -2.545 10.268 409 HB THR 60 HB THR 60 -2.413 -5.065 10.787 410 HG1 THR 60 1HG THR 60 -3.094 -4.402 12.668 411 HG21 THR 60 1HG2 THR 60 -0.688 -5.970 12.270 412 HG22 THR 60 2HG2 THR 60 0.254 -4.488 12.100 413 HG23 THR 60 3HG2 THR 60 0.004 -5.538 10.704 414 H LEU 61 H LEU 61 -1.276 -1.190 11.810 415 HA LEU 61 HA LEU 61 1.548 -0.700 11.260 416 HB2 LEU 61 1HB LEU 61 -0.439 0.892 12.899 417 HB3 LEU 61 2HB LEU 61 1.213 1.381 12.562 418 HG LEU 61 HG LEU 61 -0.989 1.034 10.518 419 HD11 LEU 61 1HD1 LEU 61 0.363 3.524 11.541 420 HD12 LEU 61 2HD1 LEU 61 -1.301 3.028 11.850 421 HD13 LEU 61 3HD1 LEU 61 -0.799 3.452 10.215 422 HD21 LEU 61 1HD2 LEU 61 1.145 0.413 9.543 423 HD22 LEU 61 2HD2 LEU 61 1.878 1.906 10.136 424 HD23 LEU 61 3HD2 LEU 61 0.616 1.969 8.905 425 H THR 62 H THR 62 2.979 -0.185 13.180 426 HA THR 62 HA THR 62 3.471 -2.434 14.623 427 HB THR 62 HB THR 62 4.100 0.357 15.614 428 HG1 THR 62 1HG THR 62 6.147 -0.564 14.305 429 HG21 THR 62 1HG2 THR 62 6.101 -0.707 16.568 430 HG22 THR 62 2HG2 THR 62 5.548 -2.275 15.978 431 HG23 THR 62 3HG2 THR 62 4.627 -1.425 17.220 432 H SER 63 H SER 63 1.666 0.405 15.847 433 HA SER 63 HA SER 63 0.782 -1.161 18.162 434 HB2 SER 63 1HB SER 63 1.565 1.131 18.571 435 HB3 SER 63 2HB SER 63 0.356 1.760 17.452 436 HG SER 63 HG SER 63 0.062 0.783 20.045 437 H ALA 64 H ALA 64 -0.248 -0.287 15.055 438 HA ALA 64 HA ALA 64 -2.171 -0.438 13.869 439 HB1 ALA 64 1HB ALA 64 -3.793 -2.149 14.512 440 HB2 ALA 64 2HB ALA 64 -3.048 -2.266 16.107 441 HB3 ALA 64 3HB ALA 64 -2.142 -2.749 14.673 442 H ALA 65 H ALA 65 -1.942 1.298 16.526 443 HA ALA 65 HA ALA 65 -4.736 2.247 16.467 444 HB1 ALA 65 1HB ALA 65 -2.646 2.586 18.629 445 HB2 ALA 65 2HB ALA 65 -4.019 1.479 18.680 446 HB3 ALA 65 3HB ALA 65 -4.293 3.222 18.680 447 H CYS 66 H CYS 66 -1.744 2.839 15.277 448 HA CYS 66 HA CYS 66 -1.438 5.633 15.657 449 HB2 CYS 66 2HB CYS 66 -0.299 3.931 13.427 450 HB3 CYS 66 1HB CYS 66 0.352 5.444 14.051 451 HG CYS 66 HG CYS 66 1.977 4.303 15.668 452 HA PRO 67 HA PRO 67 -4.688 6.722 12.793 453 HB2 PRO 67 2HB PRO 67 -4.547 9.397 13.033 454 HB3 PRO 67 1HB PRO 67 -5.120 8.375 14.358 455 HG2 PRO 67 2HG PRO 67 -2.413 9.604 13.953 456 HG3 PRO 67 1HG PRO 67 -3.394 9.529 15.428 457 HD2 PRO 67 2HD PRO 67 -1.336 7.805 14.899 458 HD3 PRO 67 1HD PRO 67 -2.736 7.378 15.905 459 H LEU 68 H LEU 68 -2.037 6.126 11.648 460 HA LEU 68 HA LEU 68 -1.699 8.226 9.630 461 HB2 LEU 68 1HB LEU 68 0.023 5.859 10.391 462 HB3 LEU 68 2HB LEU 68 0.335 6.843 8.974 463 HG LEU 68 HG LEU 68 0.575 8.831 10.501 464 HD11 LEU 68 1HD1 LEU 68 -0.670 7.967 12.417 465 HD12 LEU 68 2HD1 LEU 68 0.964 8.448 12.871 466 HD13 LEU 68 3HD1 LEU 68 0.569 6.740 12.674 467 HD21 LEU 68 1HD2 LEU 68 2.829 8.183 11.290 468 HD22 LEU 68 2HD2 LEU 68 2.527 7.727 9.615 469 HD23 LEU 68 3HD2 LEU 68 2.460 6.504 10.885 470 H THR 69 H THR 69 -3.818 5.963 9.870 471 HA THR 69 HA THR 69 -3.467 4.086 7.851 472 HB THR 69 HB THR 69 -5.273 3.815 9.414 473 HG1 THR 69 1HG THR 69 -6.047 4.121 6.699 474 HG21 THR 69 1HG2 THR 69 -5.819 6.174 9.808 475 HG22 THR 69 2HG2 THR 69 -7.260 5.232 9.435 476 HG23 THR 69 3HG2 THR 69 -6.547 6.275 8.205 477 H ASP 70 H ASP 70 -5.102 7.260 7.615 478 HA ASP 70 HA ASP 70 -5.740 6.973 4.871 479 HB2 ASP 70 1HB ASP 70 -6.941 8.515 6.389 480 HB3 ASP 70 2HB ASP 70 -5.493 9.507 6.522 481 H VAL 71 H VAL 71 -2.925 8.036 6.578 482 HA VAL 71 HA VAL 71 -1.718 9.510 4.463 483 HB VAL 71 HB VAL 71 -0.388 8.169 6.835 484 HG11 VAL 71 1HG1 VAL 71 1.216 8.729 5.089 485 HG12 VAL 71 2HG1 VAL 71 1.416 9.804 6.472 486 HG13 VAL 71 3HG1 VAL 71 0.596 10.381 5.020 487 HG21 VAL 71 1HG2 VAL 71 -0.522 10.368 7.916 488 HG22 VAL 71 2HG2 VAL 71 -2.123 9.726 7.549 489 HG23 VAL 71 3HG2 VAL 71 -1.428 10.993 6.536 490 H ILE 72 H ILE 72 -1.135 6.202 5.728 491 HA ILE 72 HA ILE 72 0.753 5.511 3.736 492 HB ILE 72 HB ILE 72 0.441 3.174 4.426 493 HG12 ILE 72 1HG1 ILE 72 -1.067 2.934 6.582 494 HG13 ILE 72 2HG1 ILE 72 -1.932 4.303 5.890 495 HG21 ILE 72 1HG2 ILE 72 1.201 3.451 6.745 496 HG22 ILE 72 2HG2 ILE 72 0.649 5.128 6.722 497 HG23 ILE 72 3HG2 ILE 72 1.961 4.616 5.659 498 HD11 ILE 72 1HD1 ILE 72 -2.351 2.998 3.863 499 HD12 ILE 72 2HD1 ILE 72 -2.990 2.205 5.297 500 HD13 ILE 72 3HD1 ILE 72 -1.491 1.634 4.571 501 H GLU 73 H GLU 73 -2.759 5.146 3.940 502 HA GLU 73 HA GLU 73 -3.079 3.704 1.527 503 HB2 GLU 73 1HB GLU 73 -4.968 5.578 2.968 504 HB3 GLU 73 2HB GLU 73 -5.430 4.601 1.579 505 HG2 GLU 73 1HG GLU 73 -4.779 2.574 2.879 506 HG3 GLU 73 2HG GLU 73 -4.531 3.614 4.280 507 H ASP 74 H ASP 74 -3.014 7.166 2.230 508 HA ASP 74 HA ASP 74 -3.665 8.123 -0.316 509 HB2 ASP 74 1HB ASP 74 -3.534 9.522 1.754 510 HB3 ASP 74 2HB ASP 74 -1.779 9.419 1.672 511 H GLN 75 H GLN 75 -0.505 7.416 1.140 512 HA GLN 75 HA GLN 75 1.086 8.149 -1.054 513 HB2 GLN 75 1HB GLN 75 1.699 5.955 0.946 514 HB3 GLN 75 2HB GLN 75 2.861 6.837 -0.035 515 HG2 GLN 75 1HG GLN 75 1.241 7.871 2.280 516 HG3 GLN 75 2HG GLN 75 2.988 7.686 2.176 517 HE21 GLN 75 1HE2 GLN 75 1.148 10.996 0.733 518 HE22 GLN 75 2HE2 GLN 75 0.251 9.629 1.298 519 H SER 76 H SER 76 -0.306 5.023 -0.116 520 HA SER 76 HA SER 76 0.785 3.472 -2.175 521 HB2 SER 76 1HB SER 76 -0.318 2.540 -0.159 522 HB3 SER 76 2HB SER 76 -1.874 3.101 -0.762 523 HG SER 76 HG SER 76 -0.217 1.051 -1.754 524 H ARG 77 H ARG 77 -2.545 4.777 -1.985 525 HA ARG 77 HA ARG 77 -3.327 4.003 -4.542 526 HB2 ARG 77 1HB ARG 77 -5.198 5.525 -4.310 527 HB3 ARG 77 2HB ARG 77 -4.893 4.733 -2.771 528 HG2 ARG 77 1HG ARG 77 -3.690 6.760 -2.011 529 HG3 ARG 77 2HG ARG 77 -4.118 7.546 -3.530 530 HD2 ARG 77 1HD ARG 77 -6.500 7.273 -2.987 531 HD3 ARG 77 2HD ARG 77 -6.056 6.506 -1.460 532 HE ARG 77 HE ARG 77 -5.024 9.189 -1.956 533 HH11 ARG 77 1HH1 ARG 77 -7.398 7.177 -0.326 534 HH12 ARG 77 2HH1 ARG 77 -7.818 8.406 0.824 535 HH21 ARG 77 1HH2 ARG 77 -5.557 10.779 -0.401 536 HH22 ARG 77 2HH2 ARG 77 -6.792 10.442 0.776 537 H SER 78 H SER 78 -1.820 7.045 -3.494 538 HA SER 78 HA SER 78 -2.266 8.494 -5.852 539 HB2 SER 78 1HB SER 78 -1.512 9.413 -3.605 540 HB3 SER 78 2HB SER 78 0.111 8.866 -4.018 541 HG SER 78 HG SER 78 0.151 10.287 -5.723 542 H ALA 79 H ALA 79 0.440 6.407 -4.879 543 HA ALA 79 HA ALA 79 1.957 6.916 -7.255 544 HB1 ALA 79 1HB ALA 79 3.022 6.218 -5.154 545 HB2 ALA 79 2HB ALA 79 3.409 5.119 -6.477 546 HB3 ALA 79 3HB ALA 79 2.212 4.656 -5.266 547 H LEU 80 H LEU 80 -0.052 4.197 -6.121 548 HA LEU 80 HA LEU 80 0.436 2.462 -8.248 549 HB2 LEU 80 1HB LEU 80 -1.986 2.714 -6.463 550 HB3 LEU 80 2HB LEU 80 -1.748 1.387 -7.586 551 HG LEU 80 HG LEU 80 0.033 2.054 -5.229 552 HD11 LEU 80 1HD1 LEU 80 -2.099 1.103 -4.546 553 HD12 LEU 80 2HD1 LEU 80 -0.796 -0.056 -4.298 554 HD13 LEU 80 3HD1 LEU 80 -1.885 -0.234 -5.675 555 HD21 LEU 80 1HD2 LEU 80 0.204 -0.233 -7.199 556 HD22 LEU 80 2HD2 LEU 80 1.202 -0.027 -5.759 557 HD23 LEU 80 3HD2 LEU 80 1.325 1.126 -7.085 558 H VAL 81 H VAL 81 -1.972 5.021 -7.922 559 HA VAL 81 HA VAL 81 -3.257 4.421 -10.418 560 HB VAL 81 HB VAL 81 -4.359 5.631 -8.505 561 HG11 VAL 81 1HG1 VAL 81 -4.066 8.061 -8.335 562 HG12 VAL 81 2HG1 VAL 81 -2.735 7.976 -9.490 563 HG13 VAL 81 3HG1 VAL 81 -2.594 7.184 -7.917 564 HG21 VAL 81 1HG2 VAL 81 -4.455 7.004 -11.197 565 HG22 VAL 81 2HG2 VAL 81 -5.694 7.094 -9.943 566 HG23 VAL 81 3HG2 VAL 81 -5.354 5.557 -10.738 567 H GLY 82 H GLY 82 -0.513 6.307 -9.394 568 HA2 GLY 82 1HA GLY 82 -0.382 8.001 -11.716 569 HA3 GLY 82 2HA GLY 82 0.894 7.745 -10.527 570 H SER 83 H SER 83 0.939 4.920 -10.729 571 HA SER 83 HA SER 83 2.538 4.596 -13.115 572 HB2 SER 83 1HB SER 83 1.778 2.593 -10.969 573 HB3 SER 83 2HB SER 83 3.037 2.379 -12.185 574 HG SER 83 HG SER 83 4.282 3.839 -11.192 575 H GLY 84 H GLY 84 -0.690 3.886 -12.080 576 HA2 GLY 84 1HA GLY 84 -2.509 3.418 -13.442 577 HA3 GLY 84 2HA GLY 84 -1.411 3.146 -14.784 578 H LEU 85 H LEU 85 -0.551 1.425 -11.992 579 HA LEU 85 HA LEU 85 -0.797 -1.082 -13.230 580 HB2 LEU 85 1HB LEU 85 -0.168 -0.145 -10.472 581 HB3 LEU 85 2HB LEU 85 -0.595 -1.832 -10.670 582 HG LEU 85 HG LEU 85 1.273 -2.218 -12.140 583 HD11 LEU 85 1HD1 LEU 85 2.873 -0.458 -12.725 584 HD12 LEU 85 2HD1 LEU 85 1.829 0.738 -11.955 585 HD13 LEU 85 3HD1 LEU 85 1.268 -0.133 -13.380 586 HD21 LEU 85 1HD2 LEU 85 1.747 -2.306 -9.750 587 HD22 LEU 85 2HD2 LEU 85 2.141 -0.586 -9.750 588 HD23 LEU 85 3HD2 LEU 85 3.150 -1.723 -10.646 589 H VAL 86 H VAL 86 -2.912 0.566 -10.924 590 HA VAL 86 HA VAL 86 -5.013 -1.390 -11.546 591 HB VAL 86 HB VAL 86 -5.769 -1.368 -9.173 592 HG11 VAL 86 1HG1 VAL 86 -4.078 -2.948 -8.341 593 HG12 VAL 86 2HG1 VAL 86 -2.975 -2.438 -9.614 594 HG13 VAL 86 3HG1 VAL 86 -4.486 -3.253 -10.029 595 HG21 VAL 86 1HG2 VAL 86 -4.697 0.702 -8.449 596 HG22 VAL 86 2HG2 VAL 86 -3.106 -0.031 -8.653 597 HG23 VAL 86 3HG2 VAL 86 -4.208 -0.643 -7.418 598 H ASP 87 H ASP 87 -7.169 -0.580 -10.629 599 HA ASP 87 HA ASP 87 -7.466 2.184 -11.560 600 HB2 ASP 87 1HB ASP 87 -8.793 0.389 -12.649 601 HB3 ASP 87 2HB ASP 87 -9.556 0.033 -11.103 602 H ASP 88 H ASP 88 -8.196 0.079 -8.836 603 HA ASP 88 HA ASP 88 -8.424 2.403 -7.080 604 HB2 ASP 88 1HB ASP 88 -10.750 1.926 -7.707 605 HB3 ASP 88 2HB ASP 88 -10.542 0.234 -7.271 606 H ILE 89 H ILE 89 -8.339 1.684 -4.737 607 HA ILE 89 HA ILE 89 -7.116 -0.971 -4.409 608 HB ILE 89 HB ILE 89 -5.320 -0.198 -3.035 609 HG12 ILE 89 1HG1 ILE 89 -6.151 2.675 -3.500 610 HG13 ILE 89 2HG1 ILE 89 -6.658 1.766 -2.080 611 HG21 ILE 89 1HG2 ILE 89 -4.854 -0.186 -5.421 612 HG22 ILE 89 2HG2 ILE 89 -3.976 1.117 -4.622 613 HG23 ILE 89 3HG2 ILE 89 -5.431 1.476 -5.548 614 HD11 ILE 89 1HD1 ILE 89 -4.316 1.442 -1.459 615 HD12 ILE 89 2HD1 ILE 89 -4.738 3.150 -1.585 616 HD13 ILE 89 3HD1 ILE 89 -3.818 2.374 -2.873 617 H ARG 90 H ARG 90 -6.822 -1.436 -2.016 618 HA ARG 90 HA ARG 90 -8.533 -0.052 -0.163 619 HB2 ARG 90 1HB ARG 90 -10.228 -1.381 -1.253 620 HB3 ARG 90 2HB ARG 90 -9.233 -2.825 -1.139 621 HG2 ARG 90 1HG ARG 90 -10.836 -3.067 0.535 622 HG3 ARG 90 2HG ARG 90 -9.381 -2.554 1.384 623 HD2 ARG 90 1HD ARG 90 -11.506 -0.620 0.508 624 HD3 ARG 90 2HD ARG 90 -11.596 -1.468 2.044 625 HE ARG 90 HE ARG 90 -9.112 -0.123 1.785 626 HH11 ARG 90 1HH1 ARG 90 -12.505 0.399 2.460 627 HH12 ARG 90 2HH1 ARG 90 -12.238 1.878 3.329 628 HH21 ARG 90 1HH2 ARG 90 -8.757 1.839 2.960 629 HH22 ARG 90 2HH2 ARG 90 -10.122 2.688 3.613 630 H ILE 91 H ILE 91 -6.948 0.067 1.381 631 HA ILE 91 HA ILE 91 -5.399 -2.316 2.016 632 HB ILE 91 HB ILE 91 -5.264 0.491 3.146 633 HG12 ILE 91 1HG1 ILE 91 -3.460 -1.028 1.231 634 HG13 ILE 91 2HG1 ILE 91 -4.528 0.305 0.807 635 HG21 ILE 91 1HG2 ILE 91 -3.168 -0.241 4.224 636 HG22 ILE 91 2HG2 ILE 91 -3.480 -1.892 3.690 637 HG23 ILE 91 3HG2 ILE 91 -4.570 -1.115 4.839 638 HD11 ILE 91 1HD1 ILE 91 -2.109 0.454 2.589 639 HD12 ILE 91 2HD1 ILE 91 -3.190 1.798 2.218 640 HD13 ILE 91 3HD1 ILE 91 -2.240 1.049 0.935 641 H ASN 92 H ASN 92 -6.294 -3.767 3.279 642 HA ASN 92 HA ASN 92 -8.415 -3.060 5.146 643 HB2 ASN 92 1HB ASN 92 -8.785 -5.001 3.732 644 HB3 ASN 92 2HB ASN 92 -7.279 -5.733 4.273 645 HD21 ASN 92 1HD2 ASN 92 -8.601 -7.015 7.245 646 HD22 ASN 92 2HD2 ASN 92 -7.179 -6.650 6.331 647 H TRP 93 H TRP 93 -8.084 -2.779 7.233 648 HA TRP 93 HA TRP 93 -5.436 -3.250 8.333 649 HB2 TRP 93 2HB TRP 93 -7.864 -1.808 9.413 650 HB3 TRP 93 1HB TRP 93 -6.336 -1.959 10.283 651 HD1 TRP 93 1HD TRP 93 -8.001 0.062 7.554 652 HE1 TRP 93 1HE TRP 93 -6.345 1.840 6.696 653 HE3 TRP 93 3HE TRP 93 -3.764 -1.595 9.870 654 HZ2 TRP 93 2HZ TRP 93 -3.611 2.446 6.975 655 HZ3 TRP 93 3HZ TRP 93 -1.665 -0.363 9.518 656 HH2 TRP 93 2HH TRP 93 -1.591 1.617 8.094 657 H VAL 94 H VAL 94 -5.003 -5.164 9.189 658 HA VAL 94 HA VAL 94 -7.184 -6.614 10.567 659 HB VAL 94 HB VAL 94 -4.445 -7.752 10.039 660 HG11 VAL 94 1HG1 VAL 94 -5.835 -8.958 11.621 661 HG12 VAL 94 2HG1 VAL 94 -5.635 -9.899 10.142 662 HG13 VAL 94 3HG1 VAL 94 -7.146 -9.037 10.440 663 HG21 VAL 94 1HG2 VAL 94 -6.799 -7.823 8.144 664 HG22 VAL 94 2HG2 VAL 94 -5.321 -8.768 7.966 665 HG23 VAL 94 3HG2 VAL 94 -5.259 -7.007 7.869 666 H TRP 95 H TRP 95 -7.256 -6.485 12.693 667 HA TRP 95 HA TRP 95 -4.827 -6.593 14.288 668 HB2 TRP 95 2HB TRP 95 -5.566 -4.614 15.663 669 HB3 TRP 95 1HB TRP 95 -5.040 -4.208 14.033 670 HD1 TRP 95 1HD TRP 95 -6.990 -3.533 12.254 671 HE1 TRP 95 1HE TRP 95 -9.321 -2.512 12.627 672 HE3 TRP 95 3HE TRP 95 -7.525 -4.523 17.244 673 HZ2 TRP 95 2HZ TRP 95 -11.137 -2.161 14.752 674 HZ3 TRP 95 3HZ TRP 95 -9.591 -3.807 18.371 675 HH2 TRP 95 2HH TRP 95 -11.361 -2.650 17.149 676 H ASN 96 H ASN 96 -7.607 -7.932 13.682 677 HA ASN 96 HA ASN 96 -8.152 -9.238 16.015 678 HB2 ASN 96 1HB ASN 96 -8.627 -7.132 17.135 679 HB3 ASN 96 2HB ASN 96 -9.768 -6.672 15.879 680 HD21 ASN 96 1HD2 ASN 96 -10.876 -9.102 18.920 681 HD22 ASN 96 2HD2 ASN 96 -9.231 -8.620 18.688 682 HA PRO 97 HA PRO 97 -12.050 -9.645 13.354 683 HB2 PRO 97 2HB PRO 97 -12.809 -7.831 11.555 684 HB3 PRO 97 1HB PRO 97 -13.006 -7.524 13.285 685 HG2 PRO 97 2HG PRO 97 -10.902 -6.504 11.411 686 HG3 PRO 97 1HG PRO 97 -11.764 -5.646 12.701 687 HD2 PRO 97 2HD PRO 97 -9.223 -6.745 12.941 688 HD3 PRO 97 1HD PRO 97 -10.296 -6.352 14.299 689 HA PRO 98 HA PRO 98 -10.226 -11.614 9.765 690 HB2 PRO 98 2HB PRO 98 -13.002 -12.185 8.914 691 HB3 PRO 98 1HB PRO 98 -11.693 -13.305 9.302 692 HG2 PRO 98 2HG PRO 98 -13.791 -12.990 10.945 693 HG3 PRO 98 1HG PRO 98 -12.156 -13.275 11.569 694 HD2 PRO 98 2HD PRO 98 -13.688 -10.699 11.374 695 HD3 PRO 98 1HD PRO 98 -12.671 -11.308 12.699 696 H TRP 99 H TRP 99 -10.375 -11.526 7.379 697 HA TRP 99 HA TRP 99 -10.509 -8.863 6.458 698 HB2 TRP 99 2HB TRP 99 -10.552 -11.350 4.730 699 HB3 TRP 99 1HB TRP 99 -9.936 -9.756 4.299 700 HD1 TRP 99 1HD TRP 99 -7.982 -9.082 6.565 701 HE1 TRP 99 1HE TRP 99 -5.866 -10.474 6.987 702 HE3 TRP 99 3HE TRP 99 -9.395 -13.434 4.279 703 HZ2 TRP 99 2HZ TRP 99 -4.914 -13.066 6.435 704 HZ3 TRP 99 3HZ TRP 99 -7.818 -15.324 4.272 705 HH2 TRP 99 2HH TRP 99 -5.622 -15.143 5.326 706 H GLY 100 H GLY 100 -12.385 -7.758 6.269 707 HA2 GLY 100 1HA GLY 100 -14.475 -8.770 4.550 708 HA3 GLY 100 2HA GLY 100 -14.947 -8.671 6.239 709 HA PRO 101 HA PRO 101 -16.251 -4.558 5.830 710 HB2 PRO 101 2HB PRO 101 -15.143 -3.246 7.990 711 HB3 PRO 101 1HB PRO 101 -16.537 -4.325 8.089 712 HG2 PRO 101 2HG PRO 101 -13.654 -4.901 8.680 713 HG3 PRO 101 1HG PRO 101 -15.104 -5.397 9.576 714 HD2 PRO 101 2HD PRO 101 -13.816 -7.091 7.933 715 HD3 PRO 101 1HD PRO 101 -15.586 -7.118 8.092 716 H ASP 102 H ASP 102 -12.895 -4.267 7.005 717 HA ASP 102 HA ASP 102 -12.381 -1.853 5.637 718 HB2 ASP 102 1HB ASP 102 -10.450 -3.879 6.798 719 HB3 ASP 102 2HB ASP 102 -10.004 -2.265 6.252 720 H LYS 103 H LYS 103 -12.707 -4.937 4.383 721 HA LYS 103 HA LYS 103 -10.814 -4.608 2.217 722 HB2 LYS 103 1HB LYS 103 -12.722 -6.742 3.070 723 HB3 LYS 103 2HB LYS 103 -12.214 -6.715 1.386 724 HG2 LYS 103 1HG LYS 103 -10.276 -6.740 3.695 725 HG3 LYS 103 2HG LYS 103 -10.866 -8.199 2.896 726 HD2 LYS 103 1HD LYS 103 -9.918 -7.492 0.788 727 HD3 LYS 103 2HD LYS 103 -9.473 -5.927 1.466 728 HE2 LYS 103 1HE LYS 103 -7.523 -7.358 1.289 729 HE3 LYS 103 2HE LYS 103 -7.893 -7.043 2.980 730 HZ1 LYS 103 1HZ LYS 103 -8.908 -9.221 3.125 731 HZ2 LYS 103 2HZ LYS 103 -7.304 -9.346 2.607 732 HZ3 LYS 103 3HZ LYS 103 -8.574 -9.523 1.494 733 H ILE 104 H ILE 104 -13.672 -3.134 2.841 734 HA ILE 104 HA ILE 104 -14.297 -2.912 -0.048 735 HB ILE 104 HB ILE 104 -16.175 -2.508 2.298 736 HG12 ILE 104 1HG1 ILE 104 -16.099 -4.644 0.140 737 HG13 ILE 104 2HG1 ILE 104 -15.695 -4.876 1.838 738 HG21 ILE 104 1HG2 ILE 104 -16.701 -2.256 -0.673 739 HG22 ILE 104 2HG2 ILE 104 -16.675 -0.937 0.497 740 HG23 ILE 104 3HG2 ILE 104 -17.927 -2.176 0.594 741 HD11 ILE 104 1HD1 ILE 104 -18.399 -4.182 0.719 742 HD12 ILE 104 2HD1 ILE 104 -18.016 -4.327 2.435 743 HD13 ILE 104 3HD1 ILE 104 -17.892 -5.736 1.382 744 H THR 105 H THR 105 -13.364 -1.087 -0.803 745 HA THR 105 HA THR 105 -12.602 1.147 0.606 746 HB THR 105 HB THR 105 -13.496 1.649 -2.174 747 HG1 THR 105 1HG THR 105 -11.608 0.272 -2.857 748 HG21 THR 105 1HG2 THR 105 -11.212 2.479 -2.388 749 HG22 THR 105 2HG2 THR 105 -10.816 1.827 -0.798 750 HG23 THR 105 3HG2 THR 105 -11.975 3.150 -0.945 751 H GLU 106 H GLU 106 -13.423 3.298 0.655 752 HA GLU 106 HA GLU 106 -15.936 3.530 1.760 753 HB2 GLU 106 1HB GLU 106 -13.997 5.153 1.927 754 HB3 GLU 106 2HB GLU 106 -14.478 5.778 0.356 755 HG2 GLU 106 1HG GLU 106 -15.388 7.235 1.976 756 HG3 GLU 106 2HG GLU 106 -16.733 6.278 1.355 757 H ASP 107 H ASP 107 -14.960 4.101 -1.597 758 HA ASP 107 HA ASP 107 -17.312 5.344 -2.493 759 HB2 ASP 107 1HB ASP 107 -15.214 5.365 -3.778 760 HB3 ASP 107 2HB ASP 107 -15.365 3.635 -4.065 761 H GLY 108 H GLY 108 -16.313 1.928 -2.798 762 HA2 GLY 108 1HA GLY 108 -18.607 0.902 -3.970 763 HA3 GLY 108 2HA GLY 108 -17.544 -0.007 -2.909 764 H ARG 109 H ARG 109 -17.985 1.630 -0.594 765 HA ARG 109 HA ARG 109 -20.421 0.502 0.402 766 HB2 ARG 109 1HB ARG 109 -18.620 0.767 1.954 767 HB3 ARG 109 2HB ARG 109 -18.422 2.464 1.532 768 HG2 ARG 109 1HG ARG 109 -19.451 2.190 3.727 769 HG3 ARG 109 2HG ARG 109 -20.523 3.017 2.601 770 HD2 ARG 109 1HD ARG 109 -21.880 1.494 3.775 771 HD3 ARG 109 2HD ARG 109 -21.614 0.763 2.196 772 HE ARG 109 HE ARG 109 -19.759 -0.520 3.459 773 HH11 ARG 109 1HH1 ARG 109 -22.768 0.541 4.894 774 HH12 ARG 109 2HH1 ARG 109 -22.895 -0.813 5.970 775 HH21 ARG 109 1HH2 ARG 109 -19.919 -2.330 4.890 776 HH22 ARG 109 2HH2 ARG 109 -21.284 -2.450 5.956 777 H GLU 110 H GLU 110 -19.414 3.659 -0.778 778 HA GLU 110 HA GLU 110 -21.622 5.065 0.348 779 HB2 GLU 110 1HB GLU 110 -19.459 6.156 -0.057 780 HB3 GLU 110 2HB GLU 110 -19.661 5.920 -1.789 781 HG2 GLU 110 1HG GLU 110 -21.510 7.436 -1.850 782 HG3 GLU 110 2HG GLU 110 -21.548 7.544 -0.091 783 H GLN 111 H GLN 111 -20.743 4.239 -3.013 784 HA GLN 111 HA GLN 111 -23.581 4.612 -3.727 785 HB2 GLN 111 1HB GLN 111 -21.164 4.983 -5.516 786 HB3 GLN 111 2HB GLN 111 -22.842 5.216 -5.987 787 HG2 GLN 111 1HG GLN 111 -23.000 7.016 -4.259 788 HG3 GLN 111 2HG GLN 111 -21.267 6.844 -4.005 789 HE21 GLN 111 1HE2 GLN 111 -22.713 8.837 -7.221 790 HE22 GLN 111 2HE2 GLN 111 -23.746 7.933 -6.174 791 H LEU 112 H LEU 112 -24.191 2.515 -3.368 792 HA LEU 112 HA LEU 112 -22.885 0.223 -4.385 793 HB2 LEU 112 1HB LEU 112 -25.809 0.631 -3.706 794 HB3 LEU 112 2HB LEU 112 -25.034 -0.924 -3.954 795 HG LEU 112 HG LEU 112 -24.378 1.013 -1.723 796 HD11 LEU 112 1HD1 LEU 112 -26.592 -0.006 -1.461 797 HD12 LEU 112 2HD1 LEU 112 -25.454 -0.605 -0.255 798 HD13 LEU 112 3HD1 LEU 112 -25.874 -1.609 -1.643 799 HD21 LEU 112 1HD2 LEU 112 -22.440 -0.303 -2.379 800 HD22 LEU 112 2HD2 LEU 112 -23.386 -1.787 -2.264 801 HD23 LEU 112 3HD2 LEU 112 -23.047 -0.840 -0.814 802 H ARG 113 H ARG 113 -23.514 -1.118 -6.167 803 HA ARG 113 HA ARG 113 -23.877 0.241 -8.588 804 HB2 ARG 113 1HB ARG 113 -22.771 -1.923 -8.502 805 HB3 ARG 113 2HB ARG 113 -24.247 -2.696 -7.943 806 HG2 ARG 113 1HG ARG 113 -23.721 -3.089 -10.344 807 HG3 ARG 113 2HG ARG 113 -25.308 -2.376 -10.059 808 HD2 ARG 113 1HD ARG 113 -24.117 -1.359 -11.974 809 HD3 ARG 113 2HD ARG 113 -24.505 -0.198 -10.709 810 HE ARG 113 HE ARG 113 -22.104 -0.519 -9.990 811 HH11 ARG 113 1HH1 ARG 113 -23.111 -0.933 -13.326 812 HH12 ARG 113 2HH1 ARG 113 -21.568 -0.475 -13.973 813 HH21 ARG 113 1HH2 ARG 113 -20.084 0.101 -10.856 814 HH22 ARG 113 2HH2 ARG 113 -19.852 0.088 -12.582 815 H ALA 114 H ALA 114 -26.168 -1.214 -6.391 816 HA ALA 114 HA ALA 114 -28.478 -1.260 -7.930 817 HB1 ALA 114 1HB ALA 114 -28.344 -2.115 -5.625 818 HB2 ALA 114 2HB ALA 114 -29.714 -1.025 -5.838 819 HB3 ALA 114 3HB ALA 114 -28.256 -0.460 -5.020 820 H LEU 115 H LEU 115 -26.946 1.443 -6.248 821 HA LEU 115 HA LEU 115 -28.987 3.334 -7.062 822 HB2 LEU 115 1HB LEU 115 -27.895 3.531 -4.864 823 HB3 LEU 115 2HB LEU 115 -26.340 3.737 -5.645 824 HG LEU 115 HG LEU 115 -27.129 5.874 -6.628 825 HD11 LEU 115 1HD1 LEU 115 -29.201 6.890 -5.835 826 HD12 LEU 115 2HD1 LEU 115 -29.594 5.421 -4.942 827 HD13 LEU 115 3HD1 LEU 115 -29.520 5.390 -6.704 828 HD21 LEU 115 1HD2 LEU 115 -27.385 5.699 -3.622 829 HD22 LEU 115 2HD2 LEU 115 -27.096 7.171 -4.547 830 HD23 LEU 115 3HD2 LEU 115 -25.886 5.890 -4.529 831 H GLY 116 H GLY 116 -26.210 2.001 -8.429 832 HA2 GLY 116 1HA GLY 116 -25.285 4.274 -9.919 833 HA3 GLY 116 2HA GLY 116 -24.806 2.602 -10.157 834 H PHE 117 H PHE 117 -27.688 4.659 -10.590 835 HA PHE 117 HA PHE 117 -28.492 3.160 -12.942 836 HB2 PHE 117 2HB PHE 117 -29.654 5.700 -11.755 837 HB3 PHE 117 1HB PHE 117 -30.381 4.740 -13.040 838 HD1 PHE 117 1HD PHE 117 -30.087 5.229 -9.510 839 HD2 PHE 117 2HD PHE 117 -31.098 2.358 -12.493 840 HE1 PHE 117 1HE PHE 117 -31.303 3.914 -7.828 841 HE2 PHE 117 2HE PHE 117 -32.315 1.038 -10.811 842 HZ PHE 117 HZ PHE 117 -32.417 1.816 -8.474 843 H THR 118 H THR 118 -27.509 6.493 -12.194 844 HA THR 118 HA THR 118 -27.066 7.009 -15.056 845 HB THR 118 HB THR 118 -27.137 9.403 -14.439 846 HG1 THR 118 1HG THR 118 -26.409 9.357 -12.322 847 HG21 THR 118 1HG2 THR 118 -29.504 7.846 -13.368 848 HG22 THR 118 2HG2 THR 118 -29.241 8.286 -15.055 849 HG23 THR 118 3HG2 THR 118 -29.517 9.543 -13.851 850 H VAL 119 H VAL 119 -25.109 7.794 -15.784 851 HA VAL 119 HA VAL 119 -22.875 7.780 -13.872 852 HB VAL 119 HB VAL 119 -22.759 7.741 -16.906 853 HG11 VAL 119 1HG1 VAL 119 -20.761 8.713 -15.937 854 HG12 VAL 119 2HG1 VAL 119 -20.393 7.107 -16.565 855 HG13 VAL 119 3HG1 VAL 119 -20.597 7.350 -14.831 856 HG21 VAL 119 1HG2 VAL 119 -22.154 5.373 -16.696 857 HG22 VAL 119 2HG2 VAL 119 -23.763 5.679 -16.045 858 HG23 VAL 119 3HG2 VAL 119 -22.398 5.460 -14.950 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 12.368 -4.276 6.467 2 H2 GLY 1 2H GLY 1 13.894 -3.920 5.838 3 H3 GLY 1 3H GLY 1 13.725 -5.124 7.012 4 HA2 GLY 1 1HA GLY 1 14.034 -6.098 4.834 5 HA3 GLY 1 2HA GLY 1 12.460 -6.490 5.503 6 HA PRO 2 HA PRO 2 11.962 -3.684 1.630 7 HB2 PRO 2 2HB PRO 2 13.520 -4.422 -0.424 8 HB3 PRO 2 1HB PRO 2 14.113 -3.313 0.819 9 HG2 PRO 2 2HG PRO 2 14.614 -6.253 0.508 10 HG3 PRO 2 1HG PRO 2 15.756 -4.962 0.930 11 HD2 PRO 2 2HD PRO 2 14.560 -6.631 2.770 12 HD3 PRO 2 1HD PRO 2 15.168 -5.007 3.147 13 H GLY 3 H GLY 3 10.724 -4.208 -0.277 14 HA2 GLY 3 1HA GLY 3 9.199 -6.533 -0.148 15 HA3 GLY 3 2HA GLY 3 9.325 -5.493 -1.560 16 H SER 4 H SER 4 9.551 -8.577 -0.732 17 HA SER 4 HA SER 4 11.611 -9.171 -2.748 18 HB2 SER 4 1HB SER 4 11.332 -10.639 -0.104 19 HB3 SER 4 2HB SER 4 12.532 -10.952 -1.362 20 HG SER 4 HG SER 4 12.258 -8.511 0.076 21 H MET 5 H MET 5 10.353 -9.931 -4.334 22 HA MET 5 HA MET 5 8.951 -11.242 -5.528 23 HB2 MET 5 1HB MET 5 9.210 -13.135 -3.176 24 HB3 MET 5 2HB MET 5 8.469 -13.547 -4.714 25 HG2 MET 5 1HG MET 5 10.622 -14.445 -4.825 26 HG3 MET 5 2HG MET 5 10.710 -12.965 -5.773 27 HE1 MET 5 1HE MET 5 12.438 -13.471 -1.519 28 HE2 MET 5 2HE MET 5 11.661 -14.760 -2.437 29 HE3 MET 5 3HE MET 5 10.704 -13.409 -1.830 30 H SER 6 H SER 6 8.027 -9.468 -3.151 31 HA SER 6 HA SER 6 5.318 -10.529 -2.779 32 HB2 SER 6 1HB SER 6 5.223 -8.508 -1.160 33 HB3 SER 6 2HB SER 6 6.259 -9.866 -0.718 34 HG SER 6 HG SER 6 7.335 -7.735 -2.217 35 H GLU 7 H GLU 7 7.007 -8.517 -4.780 36 HA GLU 7 HA GLU 7 4.668 -6.841 -5.433 37 HB2 GLU 7 1HB GLU 7 6.149 -4.988 -5.895 38 HB3 GLU 7 2HB GLU 7 6.487 -5.574 -4.275 39 HG2 GLU 7 1HG GLU 7 8.140 -5.974 -6.765 40 HG3 GLU 7 2HG GLU 7 8.565 -5.060 -5.318 41 H THR 8 H THR 8 6.650 -9.251 -6.473 42 HA THR 8 HA THR 8 7.403 -8.449 -9.060 43 HB THR 8 HB THR 8 6.952 -11.284 -8.096 44 HG1 THR 8 1HG THR 8 8.693 -9.382 -7.251 45 HG21 THR 8 1HG2 THR 8 7.336 -11.071 -10.520 46 HG22 THR 8 2HG2 THR 8 8.706 -11.841 -9.720 47 HG23 THR 8 3HG2 THR 8 8.807 -10.150 -10.206 48 H SER 9 H SER 9 5.721 -7.581 -10.181 49 HA SER 9 HA SER 9 4.024 -9.427 -11.582 50 HB2 SER 9 1HB SER 9 1.916 -8.140 -11.035 51 HB3 SER 9 2HB SER 9 2.565 -9.068 -9.684 52 HG SER 9 HG SER 9 3.699 -6.919 -9.231 53 H ALA 10 H ALA 10 2.695 -8.129 -13.263 54 HA ALA 10 HA ALA 10 2.658 -6.708 -15.039 55 HB1 ALA 10 1HB ALA 10 4.199 -4.843 -13.210 56 HB2 ALA 10 2HB ALA 10 2.445 -4.930 -13.362 57 HB3 ALA 10 3HB ALA 10 3.418 -4.389 -14.726 58 HA PRO 11 HA PRO 11 6.499 -7.301 -17.273 59 HB2 PRO 11 2HB PRO 11 6.713 -5.060 -18.840 60 HB3 PRO 11 1HB PRO 11 5.619 -6.402 -19.198 61 HG2 PRO 11 2HG PRO 11 5.026 -3.786 -17.856 62 HG3 PRO 11 1HG PRO 11 4.093 -4.645 -19.098 63 HD2 PRO 11 2HD PRO 11 3.394 -4.739 -16.505 64 HD3 PRO 11 1HD PRO 11 3.195 -6.146 -17.568 65 H ALA 12 H ALA 12 8.700 -6.664 -17.316 66 HA ALA 12 HA ALA 12 9.665 -5.644 -14.932 67 HB1 ALA 12 1HB ALA 12 11.866 -5.683 -15.957 68 HB2 ALA 12 2HB ALA 12 11.142 -5.749 -17.565 69 HB3 ALA 12 3HB ALA 12 10.943 -7.102 -16.452 70 H GLU 13 H GLU 13 8.954 -3.955 -17.915 71 HA GLU 13 HA GLU 13 10.365 -1.583 -17.407 72 HB2 GLU 13 1HB GLU 13 8.747 -0.568 -19.061 73 HB3 GLU 13 2HB GLU 13 9.626 -1.984 -19.621 74 HG2 GLU 13 1HG GLU 13 7.631 -3.370 -19.103 75 HG3 GLU 13 2HG GLU 13 6.760 -1.896 -18.683 76 H GLU 14 H GLU 14 6.918 -2.340 -16.829 77 HA GLU 14 HA GLU 14 6.414 0.142 -15.509 78 HB2 GLU 14 1HB GLU 14 4.818 -2.433 -15.515 79 HB3 GLU 14 2HB GLU 14 4.259 -0.909 -14.834 80 HG2 GLU 14 1HG GLU 14 4.473 0.114 -17.090 81 HG3 GLU 14 2HG GLU 14 4.877 -1.479 -17.730 82 H LEU 15 H LEU 15 7.198 -3.125 -14.480 83 HA LEU 15 HA LEU 15 6.734 -2.868 -11.740 84 HB2 LEU 15 1HB LEU 15 7.161 -4.995 -12.978 85 HB3 LEU 15 2HB LEU 15 8.849 -4.555 -13.107 86 HG LEU 15 HG LEU 15 8.231 -6.264 -11.320 87 HD11 LEU 15 1HD1 LEU 15 10.393 -5.095 -11.332 88 HD12 LEU 15 2HD1 LEU 15 9.824 -5.430 -9.697 89 HD13 LEU 15 3HD1 LEU 15 9.692 -3.801 -10.359 90 HD21 LEU 15 1HD2 LEU 15 7.368 -5.417 -9.203 91 HD22 LEU 15 2HD2 LEU 15 6.206 -5.158 -10.503 92 HD23 LEU 15 3HD2 LEU 15 7.177 -3.811 -9.907 93 H LEU 16 H LEU 16 9.673 -2.233 -13.644 94 HA LEU 16 HA LEU 16 11.387 -1.608 -11.526 95 HB2 LEU 16 1HB LEU 16 12.151 -1.979 -13.829 96 HB3 LEU 16 2HB LEU 16 11.373 -0.492 -14.338 97 HG LEU 16 HG LEU 16 12.921 0.802 -12.896 98 HD11 LEU 16 1HD1 LEU 16 13.390 -0.877 -11.203 99 HD12 LEU 16 2HD1 LEU 16 14.891 -0.315 -11.938 100 HD13 LEU 16 3HD1 LEU 16 14.219 -1.881 -12.394 101 HD21 LEU 16 1HD2 LEU 16 14.932 0.467 -14.264 102 HD22 LEU 16 2HD2 LEU 16 13.467 0.472 -15.244 103 HD23 LEU 16 3HD2 LEU 16 14.270 -1.053 -14.866 104 H ALA 17 H ALA 17 9.534 0.631 -13.592 105 HA ALA 17 HA ALA 17 10.248 2.978 -12.233 106 HB1 ALA 17 1HB ALA 17 9.320 2.984 -14.492 107 HB2 ALA 17 2HB ALA 17 8.377 4.019 -13.421 108 HB3 ALA 17 3HB ALA 17 7.767 2.426 -13.868 109 H ASP 18 H ASP 18 7.310 0.982 -11.973 110 HA ASP 18 HA ASP 18 5.989 2.566 -10.076 111 HB2 ASP 18 1HB ASP 18 4.782 0.888 -11.357 112 HB3 ASP 18 2HB ASP 18 5.738 -0.403 -10.634 113 H VAL 19 H VAL 19 8.047 -0.315 -9.634 114 HA VAL 19 HA VAL 19 7.692 -0.387 -6.824 115 HB VAL 19 HB VAL 19 8.577 -2.276 -8.375 116 HG11 VAL 19 1HG1 VAL 19 10.997 -2.547 -8.434 117 HG12 VAL 19 2HG1 VAL 19 11.208 -0.990 -7.632 118 HG13 VAL 19 3HG1 VAL 19 10.522 -1.063 -9.260 119 HG21 VAL 19 1HG2 VAL 19 9.792 -1.813 -5.648 120 HG22 VAL 19 2HG2 VAL 19 9.694 -3.367 -6.477 121 HG23 VAL 19 3HG2 VAL 19 8.218 -2.538 -5.979 122 H GLU 20 H GLU 20 10.080 1.177 -8.917 123 HA GLU 20 HA GLU 20 11.861 1.984 -6.886 124 HB2 GLU 20 1HB GLU 20 12.430 2.129 -9.276 125 HB3 GLU 20 2HB GLU 20 11.222 3.388 -9.495 126 HG2 GLU 20 1HG GLU 20 12.459 4.867 -8.004 127 HG3 GLU 20 2HG GLU 20 13.655 3.603 -7.722 128 H GLU 21 H GLU 21 9.062 3.635 -8.335 129 HA GLU 21 HA GLU 21 9.147 5.926 -6.694 130 HB2 GLU 21 1HB GLU 21 6.831 4.573 -8.101 131 HB3 GLU 21 2HB GLU 21 6.698 6.127 -7.287 132 HG2 GLU 21 1HG GLU 21 8.476 5.495 -9.638 133 HG3 GLU 21 2HG GLU 21 6.974 6.420 -9.677 134 H ALA 22 H ALA 22 7.313 2.910 -6.396 135 HA ALA 22 HA ALA 22 5.850 3.517 -4.126 136 HB1 ALA 22 1HB ALA 22 5.572 1.096 -3.844 137 HB2 ALA 22 2HB ALA 22 6.881 0.815 -4.993 138 HB3 ALA 22 3HB ALA 22 5.384 1.574 -5.533 139 H MET 23 H MET 23 9.000 1.898 -4.358 140 HA MET 23 HA MET 23 9.330 1.449 -1.609 141 HB2 MET 23 1HB MET 23 11.377 1.836 -3.783 142 HB3 MET 23 2HB MET 23 11.751 1.320 -2.144 143 HG2 MET 23 1HG MET 23 9.952 -0.173 -4.049 144 HG3 MET 23 2HG MET 23 11.654 -0.540 -3.785 145 HE1 MET 23 1HE MET 23 9.843 -3.536 -2.039 146 HE2 MET 23 2HE MET 23 11.062 -3.055 -3.221 147 HE3 MET 23 3HE MET 23 9.359 -2.707 -3.521 148 H ARG 24 H ARG 24 9.563 4.361 -3.421 149 HA ARG 24 HA ARG 24 11.179 5.694 -1.330 150 HB2 ARG 24 1HB ARG 24 11.971 6.017 -3.604 151 HB3 ARG 24 2HB ARG 24 10.372 6.499 -4.144 152 HG2 ARG 24 1HG ARG 24 10.570 8.481 -2.588 153 HG3 ARG 24 2HG ARG 24 12.263 8.031 -2.373 154 HD2 ARG 24 1HD ARG 24 12.703 8.337 -4.713 155 HD3 ARG 24 2HD ARG 24 10.989 8.562 -5.057 156 HE ARG 24 HE ARG 24 12.744 10.479 -3.666 157 HH11 ARG 24 1HH1 ARG 24 9.691 9.741 -5.217 158 HH12 ARG 24 2HH1 ARG 24 9.215 11.402 -5.358 159 HH21 ARG 24 1HH2 ARG 24 12.132 12.665 -3.871 160 HH22 ARG 24 2HH2 ARG 24 10.611 13.070 -4.608 161 H ASP 25 H ASP 25 7.952 5.157 -2.168 162 HA ASP 25 HA ASP 25 7.137 7.831 -1.201 163 HB2 ASP 25 1HB ASP 25 6.817 7.261 -3.712 164 HB3 ASP 25 2HB ASP 25 5.535 6.186 -3.167 165 H VAL 26 H VAL 26 7.147 4.549 -0.682 166 HA VAL 26 HA VAL 26 4.637 4.632 0.887 167 HB VAL 26 HB VAL 26 5.947 2.341 -0.599 168 HG11 VAL 26 1HG1 VAL 26 4.084 0.954 0.179 169 HG12 VAL 26 2HG1 VAL 26 3.553 2.273 1.223 170 HG13 VAL 26 3HG1 VAL 26 5.115 1.504 1.498 171 HG21 VAL 26 1HG2 VAL 26 3.838 2.287 -1.863 172 HG22 VAL 26 2HG2 VAL 26 4.644 3.847 -2.013 173 HG23 VAL 26 3HG2 VAL 26 3.254 3.674 -0.944 174 H VAL 27 H VAL 27 8.007 4.168 0.896 175 HA VAL 27 HA VAL 27 8.202 2.564 3.278 176 HB VAL 27 HB VAL 27 9.924 2.645 1.411 177 HG11 VAL 27 1HG1 VAL 27 10.644 5.284 2.695 178 HG12 VAL 27 2HG1 VAL 27 9.977 5.061 1.077 179 HG13 VAL 27 3HG1 VAL 27 11.585 4.450 1.459 180 HG21 VAL 27 1HG2 VAL 27 10.934 3.204 4.204 181 HG22 VAL 27 2HG2 VAL 27 11.864 2.461 2.903 182 HG23 VAL 27 3HG2 VAL 27 10.457 1.631 3.567 183 H ASP 28 H ASP 28 9.202 3.342 5.282 184 HA ASP 28 HA ASP 28 8.923 6.228 5.770 185 HB2 ASP 28 1HB ASP 28 7.892 4.583 7.403 186 HB3 ASP 28 2HB ASP 28 9.516 4.005 7.759 187 HA PRO 29 HA PRO 29 13.334 5.503 4.877 188 HB2 PRO 29 2HB PRO 29 13.782 7.759 3.415 189 HB3 PRO 29 1HB PRO 29 13.041 6.308 2.752 190 HG2 PRO 29 2HG PRO 29 11.807 8.897 3.429 191 HG3 PRO 29 1HG PRO 29 11.268 7.649 2.287 192 HD2 PRO 29 2HD PRO 29 10.304 8.135 4.939 193 HD3 PRO 29 1HD PRO 29 9.826 6.838 3.832 194 H GLU 30 H GLU 30 11.760 7.959 6.613 195 HA GLU 30 HA GLU 30 14.021 9.402 7.542 196 HB2 GLU 30 1HB GLU 30 11.174 9.115 8.419 197 HB3 GLU 30 2HB GLU 30 12.327 9.822 9.542 198 HG2 GLU 30 1HG GLU 30 11.060 11.470 8.169 199 HG3 GLU 30 2HG GLU 30 12.812 11.613 8.058 200 H LEU 31 H LEU 31 12.065 6.859 9.113 201 HA LEU 31 HA LEU 31 14.166 6.419 11.077 202 HB2 LEU 31 1HB LEU 31 11.480 5.088 10.672 203 HB3 LEU 31 2HB LEU 31 12.575 4.731 11.996 204 HG LEU 31 HG LEU 31 11.268 7.417 11.496 205 HD11 LEU 31 1HD1 LEU 31 10.654 5.291 13.552 206 HD12 LEU 31 2HD1 LEU 31 9.634 5.754 12.189 207 HD13 LEU 31 3HD1 LEU 31 9.937 6.901 13.494 208 HD21 LEU 31 1HD2 LEU 31 12.136 7.983 13.727 209 HD22 LEU 31 2HD2 LEU 31 13.434 7.644 12.582 210 HD23 LEU 31 3HD2 LEU 31 12.981 6.435 13.784 211 H GLY 32 H GLY 32 13.117 5.112 8.069 212 HA2 GLY 32 1HA GLY 32 14.494 3.818 6.686 213 HA3 GLY 32 2HA GLY 32 15.453 3.368 8.084 214 H ILE 33 H ILE 33 11.922 3.045 7.693 215 HA ILE 33 HA ILE 33 12.284 0.110 7.573 216 HB ILE 33 HB ILE 33 10.019 1.459 9.064 217 HG12 ILE 33 1HG1 ILE 33 11.212 0.269 11.078 218 HG13 ILE 33 2HG1 ILE 33 12.640 0.372 10.059 219 HG21 ILE 33 1HG2 ILE 33 10.820 -1.444 8.857 220 HG22 ILE 33 2HG2 ILE 33 9.400 -0.689 8.137 221 HG23 ILE 33 3HG2 ILE 33 9.538 -0.813 9.890 222 HD11 ILE 33 1HD1 ILE 33 10.951 2.659 11.032 223 HD12 ILE 33 2HD1 ILE 33 12.301 2.811 9.910 224 HD13 ILE 33 3HD1 ILE 33 12.583 2.236 11.556 225 H ASN 34 H ASN 34 11.013 -0.946 6.128 226 HA ASN 34 HA ASN 34 9.130 0.646 4.524 227 HB2 ASN 34 1HB ASN 34 10.955 -0.662 3.355 228 HB3 ASN 34 2HB ASN 34 10.196 -2.137 3.950 229 HD21 ASN 34 1HD2 ASN 34 8.725 -0.202 0.730 230 HD22 ASN 34 2HD2 ASN 34 10.083 0.384 1.621 231 H VAL 35 H VAL 35 6.976 -0.137 4.229 232 HA VAL 35 HA VAL 35 5.789 -1.146 6.554 233 HB VAL 35 HB VAL 35 3.708 -1.316 5.240 234 HG11 VAL 35 1HG1 VAL 35 5.338 1.178 4.702 235 HG12 VAL 35 2HG1 VAL 35 4.367 0.850 6.136 236 HG13 VAL 35 3HG1 VAL 35 3.582 1.062 4.572 237 HG21 VAL 35 1HG2 VAL 35 3.699 -0.715 2.852 238 HG22 VAL 35 2HG2 VAL 35 4.618 -2.191 3.144 239 HG23 VAL 35 3HG2 VAL 35 5.463 -0.668 2.858 240 H VAL 36 H VAL 36 6.834 -2.776 3.612 241 HA VAL 36 HA VAL 36 5.631 -5.270 3.978 242 HB VAL 36 HB VAL 36 8.319 -4.672 2.708 243 HG11 VAL 36 1HG1 VAL 36 7.986 -6.767 1.462 244 HG12 VAL 36 2HG1 VAL 36 6.523 -7.086 2.394 245 HG13 VAL 36 3HG1 VAL 36 8.091 -7.052 3.199 246 HG21 VAL 36 1HG2 VAL 36 5.568 -4.874 1.460 247 HG22 VAL 36 2HG2 VAL 36 7.083 -4.608 0.595 248 HG23 VAL 36 3HG2 VAL 36 6.483 -3.385 1.716 249 H ASP 37 H ASP 37 8.279 -3.789 5.636 250 HA ASP 37 HA ASP 37 9.699 -5.995 6.584 251 HB2 ASP 37 1HB ASP 37 10.472 -3.661 6.800 252 HB3 ASP 37 2HB ASP 37 9.196 -3.343 7.968 253 H LEU 38 H LEU 38 6.608 -4.687 7.575 254 HA LEU 38 HA LEU 38 6.447 -5.963 10.120 255 HB2 LEU 38 1HB LEU 38 4.354 -4.916 8.215 256 HB3 LEU 38 2HB LEU 38 3.914 -5.696 9.719 257 HG LEU 38 HG LEU 38 3.838 -3.284 9.967 258 HD11 LEU 38 1HD1 LEU 38 4.483 -4.597 11.914 259 HD12 LEU 38 2HD1 LEU 38 5.281 -3.026 11.920 260 HD13 LEU 38 3HD1 LEU 38 6.180 -4.470 11.454 261 HD21 LEU 38 1HD2 LEU 38 6.760 -3.301 9.195 262 HD22 LEU 38 2HD2 LEU 38 5.874 -1.907 9.817 263 HD23 LEU 38 3HD2 LEU 38 5.428 -2.611 8.265 264 H GLY 39 H GLY 39 6.351 -7.117 6.975 265 HA2 GLY 39 1HA GLY 39 6.036 -9.154 6.015 266 HA3 GLY 39 2HA GLY 39 6.316 -9.817 7.613 267 H LEU 40 H LEU 40 3.648 -7.706 7.371 268 HA LEU 40 HA LEU 40 1.752 -9.931 7.145 269 HB2 LEU 40 1HB LEU 40 1.631 -8.133 8.971 270 HB3 LEU 40 2HB LEU 40 1.136 -7.022 7.716 271 HG LEU 40 HG LEU 40 -0.711 -7.993 9.151 272 HD11 LEU 40 1HD1 LEU 40 -0.934 -8.469 6.182 273 HD12 LEU 40 2HD1 LEU 40 -1.192 -6.934 7.012 274 HD13 LEU 40 3HD1 LEU 40 -2.274 -8.291 7.314 275 HD21 LEU 40 1HD2 LEU 40 -1.512 -10.233 8.643 276 HD22 LEU 40 2HD2 LEU 40 0.131 -10.285 9.283 277 HD23 LEU 40 3HD2 LEU 40 -0.148 -10.491 7.553 278 H VAL 41 H VAL 41 3.100 -7.251 5.489 279 HA VAL 41 HA VAL 41 0.960 -6.643 3.726 280 HB VAL 41 HB VAL 41 3.880 -5.940 3.350 281 HG11 VAL 41 1HG1 VAL 41 2.505 -5.436 1.408 282 HG12 VAL 41 2HG1 VAL 41 2.982 -3.940 2.212 283 HG13 VAL 41 3HG1 VAL 41 1.348 -4.573 2.422 284 HG21 VAL 41 1HG2 VAL 41 1.794 -4.476 4.978 285 HG22 VAL 41 2HG2 VAL 41 3.429 -3.906 4.640 286 HG23 VAL 41 3HG2 VAL 41 3.186 -5.351 5.619 287 H TYR 42 H TYR 42 2.862 -9.340 3.788 288 HA TYR 42 HA TYR 42 3.284 -9.828 1.031 289 HB2 TYR 42 2HB TYR 42 2.824 -11.712 3.358 290 HB3 TYR 42 1HB TYR 42 3.147 -12.281 1.726 291 HD1 TYR 42 1HD TYR 42 5.368 -12.432 0.915 292 HD2 TYR 42 2HD TYR 42 4.585 -10.296 4.520 293 HE1 TYR 42 1HE TYR 42 7.785 -12.292 1.355 294 HE2 TYR 42 2HE TYR 42 6.996 -10.152 4.960 295 HH TYR 42 HH TYR 42 9.033 -11.277 4.388 296 H GLY 43 H GLY 43 0.500 -9.756 3.042 297 HA2 GLY 43 1HA GLY 43 -1.238 -11.279 1.338 298 HA3 GLY 43 2HA GLY 43 -1.715 -10.253 2.682 299 H LEU 44 H LEU 44 -0.436 -10.022 -0.627 300 HA LEU 44 HA LEU 44 -2.162 -7.667 -1.055 301 HB2 LEU 44 1HB LEU 44 0.179 -8.663 -2.702 302 HB3 LEU 44 2HB LEU 44 -0.760 -7.219 -3.035 303 HG LEU 44 HG LEU 44 1.007 -7.659 -0.617 304 HD11 LEU 44 1HD1 LEU 44 2.302 -7.334 -2.647 305 HD12 LEU 44 2HD1 LEU 44 2.416 -5.917 -1.606 306 HD13 LEU 44 3HD1 LEU 44 1.376 -5.880 -3.030 307 HD21 LEU 44 1HD2 LEU 44 -0.576 -5.222 -1.450 308 HD22 LEU 44 2HD2 LEU 44 0.552 -5.311 -0.097 309 HD23 LEU 44 3HD2 LEU 44 -0.928 -6.269 -0.074 310 H ASP 45 H ASP 45 -3.999 -8.012 -2.185 311 HA ASP 45 HA ASP 45 -4.079 -10.259 -4.085 312 HB2 ASP 45 1HB ASP 45 -5.023 -11.023 -1.938 313 HB3 ASP 45 2HB ASP 45 -6.144 -9.665 -1.945 314 H VAL 46 H VAL 46 -4.450 -9.292 -5.974 315 HA VAL 46 HA VAL 46 -6.298 -6.993 -6.042 316 HB VAL 46 HB VAL 46 -4.180 -7.714 -8.068 317 HG11 VAL 46 1HG1 VAL 46 -6.037 -6.502 -9.055 318 HG12 VAL 46 2HG1 VAL 46 -4.600 -5.482 -8.992 319 HG13 VAL 46 3HG1 VAL 46 -5.899 -5.254 -7.817 320 HG21 VAL 46 1HG2 VAL 46 -3.143 -7.053 -5.962 321 HG22 VAL 46 2HG2 VAL 46 -4.115 -5.581 -5.941 322 HG23 VAL 46 3HG2 VAL 46 -2.899 -5.815 -7.197 323 H GLN 47 H GLN 47 -8.148 -7.235 -7.103 324 HA GLN 47 HA GLN 47 -8.588 -9.746 -8.576 325 HB2 GLN 47 1HB GLN 47 -10.541 -7.948 -7.114 326 HB3 GLN 47 2HB GLN 47 -10.999 -9.372 -8.039 327 HG2 GLN 47 1HG GLN 47 -9.192 -9.380 -5.623 328 HG3 GLN 47 2HG GLN 47 -10.905 -9.798 -5.618 329 HE21 GLN 47 1HE2 GLN 47 -8.637 -12.814 -5.908 330 HE22 GLN 47 2HE2 GLN 47 -8.583 -11.411 -4.896 331 H ASP 48 H ASP 48 -9.283 -9.715 -10.632 332 HA ASP 48 HA ASP 48 -9.449 -7.144 -12.008 333 HB2 ASP 48 1HB ASP 48 -9.232 -10.004 -12.960 334 HB3 ASP 48 2HB ASP 48 -9.588 -8.685 -14.069 335 H GLY 49 H GLY 49 -11.210 -6.479 -13.203 336 HA2 GLY 49 1HA GLY 49 -13.523 -8.138 -13.614 337 HA3 GLY 49 2HA GLY 49 -13.787 -6.874 -12.414 338 H ASP 50 H ASP 50 -15.364 -6.692 -14.564 339 HA ASP 50 HA ASP 50 -14.193 -5.245 -16.731 340 HB2 ASP 50 1HB ASP 50 -16.421 -4.903 -17.550 341 HB3 ASP 50 2HB ASP 50 -16.341 -6.536 -16.908 342 H GLU 51 H GLU 51 -15.276 -4.407 -13.593 343 HA GLU 51 HA GLU 51 -15.594 -1.600 -13.926 344 HB2 GLU 51 1HB GLU 51 -16.387 -2.796 -11.922 345 HB3 GLU 51 2HB GLU 51 -14.736 -3.230 -11.512 346 HG2 GLU 51 1HG GLU 51 -15.267 -1.456 -10.083 347 HG3 GLU 51 2HG GLU 51 -14.272 -0.735 -11.345 348 H GLY 52 H GLY 52 -12.888 -3.741 -13.557 349 HA2 GLY 52 1HA GLY 52 -10.789 -2.716 -14.575 350 HA3 GLY 52 2HA GLY 52 -10.996 -1.496 -13.321 351 H THR 53 H THR 53 -8.792 -2.261 -12.715 352 HA THR 53 HA THR 53 -8.742 -4.785 -11.250 353 HB THR 53 HB THR 53 -6.304 -3.875 -10.780 354 HG1 THR 53 1HG THR 53 -5.620 -2.515 -12.531 355 HG21 THR 53 1HG2 THR 53 -6.847 -5.849 -12.155 356 HG22 THR 53 2HG2 THR 53 -5.514 -4.915 -12.832 357 HG23 THR 53 3HG2 THR 53 -7.126 -4.794 -13.542 358 H VAL 54 H VAL 54 -9.390 -4.817 -9.200 359 HA VAL 54 HA VAL 54 -8.999 -2.406 -7.543 360 HB VAL 54 HB VAL 54 -11.324 -3.106 -7.614 361 HG11 VAL 54 1HG1 VAL 54 -12.081 -5.276 -6.790 362 HG12 VAL 54 2HG1 VAL 54 -10.408 -5.780 -6.545 363 HG13 VAL 54 3HG1 VAL 54 -11.005 -5.469 -8.176 364 HG21 VAL 54 1HG2 VAL 54 -10.024 -3.741 -4.959 365 HG22 VAL 54 2HG2 VAL 54 -11.738 -3.397 -5.194 366 HG23 VAL 54 3HG2 VAL 54 -10.536 -2.151 -5.531 367 H ALA 55 H ALA 55 -7.473 -2.453 -6.030 368 HA ALA 55 HA ALA 55 -6.051 -5.001 -5.593 369 HB1 ALA 55 1HB ALA 55 -4.755 -3.124 -6.515 370 HB2 ALA 55 2HB ALA 55 -4.153 -3.616 -4.932 371 HB3 ALA 55 3HB ALA 55 -5.132 -2.154 -5.089 372 H LEU 56 H LEU 56 -6.374 -6.005 -3.718 373 HA LEU 56 HA LEU 56 -7.283 -4.519 -1.353 374 HB2 LEU 56 1HB LEU 56 -6.990 -7.516 -1.606 375 HB3 LEU 56 2HB LEU 56 -7.949 -6.619 -0.440 376 HG LEU 56 HG LEU 56 -8.507 -6.810 -3.398 377 HD11 LEU 56 1HD1 LEU 56 -10.437 -8.171 -2.753 378 HD12 LEU 56 2HD1 LEU 56 -9.912 -8.118 -1.069 379 HD13 LEU 56 3HD1 LEU 56 -8.917 -8.925 -2.280 380 HD21 LEU 56 1HD2 LEU 56 -10.117 -5.510 -1.182 381 HD22 LEU 56 2HD2 LEU 56 -10.649 -5.712 -2.851 382 HD23 LEU 56 3HD2 LEU 56 -9.272 -4.676 -2.487 383 H ILE 57 H ILE 57 -5.936 -4.160 0.322 384 HA ILE 57 HA ILE 57 -3.306 -5.491 0.278 385 HB ILE 57 HB ILE 57 -3.853 -2.577 0.907 386 HG12 ILE 57 1HG1 ILE 57 -2.378 -3.872 -1.408 387 HG13 ILE 57 2HG1 ILE 57 -3.930 -3.048 -1.500 388 HG21 ILE 57 1HG2 ILE 57 -2.093 -3.498 2.320 389 HG22 ILE 57 2HG2 ILE 57 -1.430 -2.354 1.154 390 HG23 ILE 57 3HG2 ILE 57 -1.241 -4.090 0.895 391 HD11 ILE 57 1HD1 ILE 57 -2.838 -0.950 -0.866 392 HD12 ILE 57 2HD1 ILE 57 -2.154 -1.643 -2.335 393 HD13 ILE 57 3HD1 ILE 57 -1.290 -1.790 -0.805 394 H ASP 58 H ASP 58 -3.220 -6.760 2.006 395 HA ASP 58 HA ASP 58 -4.595 -6.125 4.475 396 HB2 ASP 58 1HB ASP 58 -2.666 -8.363 3.763 397 HB3 ASP 58 2HB ASP 58 -3.473 -8.215 5.320 398 H MET 59 H MET 59 -3.768 -4.743 5.917 399 HA MET 59 HA MET 59 -0.900 -4.828 6.492 400 HB2 MET 59 1HB MET 59 -2.410 -2.328 5.716 401 HB3 MET 59 2HB MET 59 -0.941 -2.261 6.679 402 HG2 MET 59 1HG MET 59 0.279 -3.398 4.878 403 HG3 MET 59 2HG MET 59 -1.191 -3.415 3.911 404 HE1 MET 59 1HE MET 59 0.221 -0.591 6.278 405 HE2 MET 59 2HE MET 59 1.084 0.421 5.121 406 HE3 MET 59 3HE MET 59 1.661 -1.211 5.468 407 H THR 60 H THR 60 -0.413 -3.466 8.474 408 HA THR 60 HA THR 60 -2.567 -3.034 10.325 409 HB THR 60 HB THR 60 -2.222 -5.489 10.523 410 HG1 THR 60 1HG THR 60 -2.658 -5.224 12.560 411 HG21 THR 60 1HG2 THR 60 0.559 -4.751 11.456 412 HG22 THR 60 2HG2 THR 60 0.167 -5.574 9.946 413 HG23 THR 60 3HG2 THR 60 -0.155 -6.363 11.490 414 H LEU 61 H LEU 61 -1.788 -2.072 12.321 415 HA LEU 61 HA LEU 61 0.940 -0.961 12.135 416 HB2 LEU 61 1HB LEU 61 -1.516 0.417 13.263 417 HB3 LEU 61 2HB LEU 61 0.105 1.082 13.215 418 HG LEU 61 HG LEU 61 -1.602 0.471 10.788 419 HD11 LEU 61 1HD1 LEU 61 -0.868 3.104 12.067 420 HD12 LEU 61 2HD1 LEU 61 -2.476 2.392 11.964 421 HD13 LEU 61 3HD1 LEU 61 -1.655 2.928 10.497 422 HD21 LEU 61 1HD2 LEU 61 1.122 1.756 10.997 423 HD22 LEU 61 2HD2 LEU 61 0.148 1.652 9.528 424 HD23 LEU 61 3HD2 LEU 61 0.755 0.181 10.290 425 H THR 62 H THR 62 1.899 -0.487 14.260 426 HA THR 62 HA THR 62 1.998 -2.721 15.843 427 HB THR 62 HB THR 62 3.040 -1.189 17.607 428 HG1 THR 62 1HG THR 62 3.457 0.966 16.806 429 HG21 THR 62 1HG2 THR 62 4.374 -2.344 15.882 430 HG22 THR 62 2HG2 THR 62 5.037 -0.756 16.264 431 HG23 THR 62 3HG2 THR 62 4.111 -0.989 14.781 432 H SER 63 H SER 63 0.422 0.333 16.834 433 HA SER 63 HA SER 63 -1.074 -1.143 18.881 434 HB2 SER 63 1HB SER 63 -1.674 1.127 19.706 435 HB3 SER 63 2HB SER 63 0.072 0.883 19.605 436 HG SER 63 HG SER 63 -0.594 2.903 18.728 437 H ALA 64 H ALA 64 -1.457 -0.038 15.737 438 HA ALA 64 HA ALA 64 -3.182 0.238 14.301 439 HB1 ALA 64 1HB ALA 64 -5.277 -0.934 14.732 440 HB2 ALA 64 2HB ALA 64 -4.815 -1.168 16.419 441 HB3 ALA 64 3HB ALA 64 -3.895 -1.953 15.136 442 H ALA 65 H ALA 65 -2.806 2.001 16.924 443 HA ALA 65 HA ALA 65 -5.284 3.569 16.582 444 HB1 ALA 65 1HB ALA 65 -4.839 4.497 18.805 445 HB2 ALA 65 2HB ALA 65 -3.366 3.532 18.918 446 HB3 ALA 65 3HB ALA 65 -4.938 2.737 18.859 447 H CYS 66 H CYS 66 -2.049 3.470 15.812 448 HA CYS 66 HA CYS 66 -1.290 6.183 16.043 449 HB2 CYS 66 2HB CYS 66 -0.253 4.052 14.147 450 HB3 CYS 66 1HB CYS 66 0.557 5.568 14.537 451 HG CYS 66 HG CYS 66 0.513 4.700 17.391 452 HA PRO 67 HA PRO 67 -3.687 7.828 12.681 453 HB2 PRO 67 2HB PRO 67 -2.611 10.287 12.539 454 HB3 PRO 67 1HB PRO 67 -3.565 9.773 13.935 455 HG2 PRO 67 2HG PRO 67 -0.581 9.895 13.632 456 HG3 PRO 67 1HG PRO 67 -1.587 10.425 14.993 457 HD2 PRO 67 2HD PRO 67 -0.273 8.033 14.950 458 HD3 PRO 67 1HD PRO 67 -1.782 8.301 15.845 459 H LEU 68 H LEU 68 -1.396 6.156 11.929 460 HA LEU 68 HA LEU 68 -0.246 7.591 9.648 461 HB2 LEU 68 1HB LEU 68 0.439 4.967 10.976 462 HB3 LEU 68 2HB LEU 68 1.094 5.408 9.411 463 HG LEU 68 HG LEU 68 2.125 7.430 10.450 464 HD11 LEU 68 1HD1 LEU 68 1.223 6.192 13.051 465 HD12 LEU 68 2HD1 LEU 68 0.621 7.698 12.356 466 HD13 LEU 68 3HD1 LEU 68 2.301 7.578 12.878 467 HD21 LEU 68 1HD2 LEU 68 3.425 5.392 10.115 468 HD22 LEU 68 2HD2 LEU 68 2.907 4.788 11.690 469 HD23 LEU 68 3HD2 LEU 68 3.926 6.225 11.588 470 H THR 69 H THR 69 -2.961 5.958 10.273 471 HA THR 69 HA THR 69 -3.183 4.032 8.252 472 HB THR 69 HB THR 69 -4.825 3.872 9.903 473 HG1 THR 69 1HG THR 69 -6.491 5.186 8.074 474 HG21 THR 69 1HG2 THR 69 -5.601 6.764 9.473 475 HG22 THR 69 2HG2 THR 69 -4.678 6.144 10.836 476 HG23 THR 69 3HG2 THR 69 -6.353 5.647 10.606 477 H ASP 70 H ASP 70 -4.447 7.395 8.223 478 HA ASP 70 HA ASP 70 -5.246 7.319 5.509 479 HB2 ASP 70 1HB ASP 70 -5.483 9.757 5.712 480 HB3 ASP 70 2HB ASP 70 -6.163 8.948 7.121 481 H VAL 71 H VAL 71 -2.254 7.966 7.122 482 HA VAL 71 HA VAL 71 -0.916 9.295 5.006 483 HB VAL 71 HB VAL 71 0.287 7.633 7.238 484 HG11 VAL 71 1HG1 VAL 71 1.541 9.731 5.459 485 HG12 VAL 71 2HG1 VAL 71 1.889 8.002 5.447 486 HG13 VAL 71 3HG1 VAL 71 2.317 8.978 6.852 487 HG21 VAL 71 1HG2 VAL 71 -0.294 10.598 7.115 488 HG22 VAL 71 2HG2 VAL 71 0.588 9.780 8.404 489 HG23 VAL 71 3HG2 VAL 71 -1.114 9.411 8.131 490 H ILE 72 H ILE 72 -0.834 5.858 6.076 491 HA ILE 72 HA ILE 72 0.830 5.016 3.961 492 HB ILE 72 HB ILE 72 0.151 2.727 4.476 493 HG12 ILE 72 1HG1 ILE 72 -1.768 4.022 6.431 494 HG13 ILE 72 2HG1 ILE 72 -2.212 3.104 4.994 495 HG21 ILE 72 1HG2 ILE 72 1.929 3.791 5.756 496 HG22 ILE 72 2HG2 ILE 72 1.014 2.678 6.771 497 HG23 ILE 72 3HG2 ILE 72 0.748 4.417 6.908 498 HD11 ILE 72 1HD1 ILE 72 -1.213 1.116 5.952 499 HD12 ILE 72 2HD1 ILE 72 -2.453 1.785 7.013 500 HD13 ILE 72 3HD1 ILE 72 -0.746 2.031 7.381 501 H GLU 73 H GLU 73 -2.699 5.167 4.290 502 HA GLU 73 HA GLU 73 -3.310 3.940 1.824 503 HB2 GLU 73 1HB GLU 73 -4.809 5.946 3.491 504 HB3 GLU 73 2HB GLU 73 -5.457 5.318 1.983 505 HG2 GLU 73 1HG GLU 73 -4.704 3.042 3.381 506 HG3 GLU 73 2HG GLU 73 -5.370 4.102 4.618 507 H ASP 74 H ASP 74 -2.724 7.359 2.628 508 HA ASP 74 HA ASP 74 -3.330 8.422 0.100 509 HB2 ASP 74 1HB ASP 74 -3.073 9.871 2.042 510 HB3 ASP 74 2HB ASP 74 -1.375 9.429 2.185 511 H GLN 75 H GLN 75 -0.197 7.462 1.482 512 HA GLN 75 HA GLN 75 1.408 7.981 -0.733 513 HB2 GLN 75 1HB GLN 75 1.699 5.790 1.339 514 HB3 GLN 75 2HB GLN 75 2.962 6.285 0.222 515 HG2 GLN 75 1HG GLN 75 2.948 8.535 1.231 516 HG3 GLN 75 2HG GLN 75 1.717 7.998 2.371 517 HE21 GLN 75 1HE2 GLN 75 4.344 5.550 3.622 518 HE22 GLN 75 2HE2 GLN 75 2.939 5.331 2.646 519 H SER 76 H SER 76 -0.205 4.945 0.179 520 HA SER 76 HA SER 76 0.750 3.421 -1.982 521 HB2 SER 76 1HB SER 76 -0.207 2.461 0.106 522 HB3 SER 76 2HB SER 76 -1.807 2.997 -0.407 523 HG SER 76 HG SER 76 -0.722 0.726 -0.961 524 H ARG 77 H ARG 77 -2.465 4.944 -1.539 525 HA ARG 77 HA ARG 77 -3.493 4.210 -4.039 526 HB2 ARG 77 1HB ARG 77 -4.201 6.443 -2.138 527 HB3 ARG 77 2HB ARG 77 -5.028 6.265 -3.681 528 HG2 ARG 77 1HG ARG 77 -5.684 3.975 -3.040 529 HG3 ARG 77 2HG ARG 77 -4.917 4.217 -1.471 530 HD2 ARG 77 1HD ARG 77 -6.491 5.925 -0.886 531 HD3 ARG 77 2HD ARG 77 -7.145 5.958 -2.526 532 HE ARG 77 HE ARG 77 -7.980 3.679 -2.111 533 HH11 ARG 77 1HH1 ARG 77 -7.253 5.695 0.654 534 HH12 ARG 77 2HH1 ARG 77 -8.220 4.763 1.751 535 HH21 ARG 77 1HH2 ARG 77 -9.297 2.486 -0.694 536 HH22 ARG 77 2HH2 ARG 77 -9.411 2.953 0.975 537 H SER 78 H SER 78 -1.673 7.076 -3.048 538 HA SER 78 HA SER 78 -1.912 8.591 -5.369 539 HB2 SER 78 1HB SER 78 -0.923 9.494 -3.320 540 HB3 SER 78 2HB SER 78 0.443 8.386 -3.462 541 HG SER 78 HG SER 78 1.081 9.464 -5.326 542 H ALA 79 H ALA 79 0.487 6.091 -4.540 543 HA ALA 79 HA ALA 79 1.933 6.407 -6.985 544 HB1 ALA 79 1HB ALA 79 2.983 5.584 -4.914 545 HB2 ALA 79 2HB ALA 79 3.212 4.473 -6.263 546 HB3 ALA 79 3HB ALA 79 2.014 4.114 -5.018 547 H LEU 80 H LEU 80 -0.305 3.902 -5.772 548 HA LEU 80 HA LEU 80 -0.117 2.185 -7.970 549 HB2 LEU 80 1HB LEU 80 -2.416 2.579 -6.047 550 HB3 LEU 80 2HB LEU 80 -2.287 1.242 -7.178 551 HG LEU 80 HG LEU 80 -0.421 1.813 -4.865 552 HD11 LEU 80 1HD1 LEU 80 -1.290 -0.254 -3.930 553 HD12 LEU 80 2HD1 LEU 80 -2.373 -0.445 -5.309 554 HD13 LEU 80 3HD1 LEU 80 -2.593 0.905 -4.196 555 HD21 LEU 80 1HD2 LEU 80 0.683 -0.288 -5.451 556 HD22 LEU 80 2HD2 LEU 80 0.809 0.880 -6.765 557 HD23 LEU 80 3HD2 LEU 80 -0.350 -0.446 -6.872 558 H VAL 81 H VAL 81 -2.302 4.886 -7.360 559 HA VAL 81 HA VAL 81 -3.729 4.575 -9.833 560 HB VAL 81 HB VAL 81 -3.572 6.967 -7.966 561 HG11 VAL 81 1HG1 VAL 81 -5.601 7.760 -9.126 562 HG12 VAL 81 2HG1 VAL 81 -5.454 6.427 -10.271 563 HG13 VAL 81 3HG1 VAL 81 -4.211 7.677 -10.209 564 HG21 VAL 81 1HG2 VAL 81 -4.556 4.995 -6.907 565 HG22 VAL 81 2HG2 VAL 81 -5.678 4.813 -8.256 566 HG23 VAL 81 3HG2 VAL 81 -5.790 6.221 -7.199 567 H GLY 82 H GLY 82 -0.760 6.075 -8.828 568 HA2 GLY 82 1HA GLY 82 -0.601 8.064 -10.881 569 HA3 GLY 82 2HA GLY 82 0.723 7.487 -9.876 570 H SER 83 H SER 83 0.884 4.863 -10.464 571 HA SER 83 HA SER 83 2.038 4.815 -13.075 572 HB2 SER 83 1HB SER 83 1.458 2.520 -11.176 573 HB3 SER 83 2HB SER 83 2.533 2.461 -12.574 574 HG SER 83 HG SER 83 3.330 2.963 -10.254 575 H GLY 84 H GLY 84 -1.116 4.452 -11.955 576 HA2 GLY 84 1HA GLY 84 -3.083 3.935 -13.012 577 HA3 GLY 84 2HA GLY 84 -2.183 3.964 -14.522 578 H LEU 85 H LEU 85 -1.640 1.837 -11.748 579 HA LEU 85 HA LEU 85 -1.837 -0.471 -13.509 580 HB2 LEU 85 1HB LEU 85 -1.097 -0.255 -10.584 581 HB3 LEU 85 2HB LEU 85 -1.053 -1.738 -11.518 582 HG LEU 85 HG LEU 85 0.670 0.708 -11.966 583 HD11 LEU 85 1HD1 LEU 85 1.373 -2.072 -11.015 584 HD12 LEU 85 2HD1 LEU 85 1.314 -0.618 -10.016 585 HD13 LEU 85 3HD1 LEU 85 2.507 -0.752 -11.306 586 HD21 LEU 85 1HD2 LEU 85 0.616 -1.917 -13.467 587 HD22 LEU 85 2HD2 LEU 85 1.808 -0.632 -13.679 588 HD23 LEU 85 3HD2 LEU 85 0.118 -0.345 -14.097 589 H VAL 86 H VAL 86 -3.598 1.025 -10.878 590 HA VAL 86 HA VAL 86 -5.785 -0.887 -11.304 591 HB VAL 86 HB VAL 86 -6.266 -0.940 -8.866 592 HG11 VAL 86 1HG1 VAL 86 -3.514 -1.972 -9.586 593 HG12 VAL 86 2HG1 VAL 86 -5.041 -2.788 -9.926 594 HG13 VAL 86 3HG1 VAL 86 -4.523 -2.544 -8.256 595 HG21 VAL 86 1HG2 VAL 86 -4.515 -0.246 -7.273 596 HG22 VAL 86 2HG2 VAL 86 -5.154 1.117 -8.193 597 HG23 VAL 86 3HG2 VAL 86 -3.582 0.431 -8.611 598 H ASP 87 H ASP 87 -7.839 -0.080 -10.218 599 HA ASP 87 HA ASP 87 -8.089 2.807 -10.744 600 HB2 ASP 87 1HB ASP 87 -9.551 1.389 -12.098 601 HB3 ASP 87 2HB ASP 87 -10.209 0.640 -10.646 602 H ASP 88 H ASP 88 -8.846 0.304 -8.383 603 HA ASP 88 HA ASP 88 -9.294 2.365 -6.330 604 HB2 ASP 88 1HB ASP 88 -11.478 1.444 -7.370 605 HB3 ASP 88 2HB ASP 88 -11.080 -0.073 -6.576 606 H ILE 89 H ILE 89 -8.617 1.738 -4.270 607 HA ILE 89 HA ILE 89 -7.624 -0.997 -3.913 608 HB ILE 89 HB ILE 89 -5.453 -0.486 -3.553 609 HG12 ILE 89 1HG1 ILE 89 -6.239 2.119 -2.203 610 HG13 ILE 89 2HG1 ILE 89 -6.017 0.581 -1.379 611 HG21 ILE 89 1HG2 ILE 89 -4.566 1.521 -4.665 612 HG22 ILE 89 2HG2 ILE 89 -6.200 2.174 -4.773 613 HG23 ILE 89 3HG2 ILE 89 -5.780 0.702 -5.648 614 HD11 ILE 89 1HD1 ILE 89 -3.660 0.581 -2.050 615 HD12 ILE 89 2HD1 ILE 89 -4.091 1.983 -1.072 616 HD13 ILE 89 3HD1 ILE 89 -3.893 2.153 -2.817 617 H ARG 90 H ARG 90 -7.741 -1.752 -1.812 618 HA ARG 90 HA ARG 90 -8.668 0.124 0.261 619 HB2 ARG 90 1HB ARG 90 -9.886 -2.500 -0.534 620 HB3 ARG 90 2HB ARG 90 -9.883 -2.067 1.170 621 HG2 ARG 90 1HG ARG 90 -11.942 -1.331 0.403 622 HG3 ARG 90 2HG ARG 90 -10.961 0.134 0.429 623 HD2 ARG 90 1HD ARG 90 -12.074 0.264 -1.612 624 HD3 ARG 90 2HD ARG 90 -10.506 -0.406 -2.060 625 HE ARG 90 HE ARG 90 -11.891 -2.638 -1.734 626 HH11 ARG 90 1HH1 ARG 90 -12.757 0.322 -3.382 627 HH12 ARG 90 2HH1 ARG 90 -13.918 -0.446 -4.419 628 HH21 ARG 90 1HH2 ARG 90 -13.396 -3.661 -3.126 629 HH22 ARG 90 2HH2 ARG 90 -14.264 -2.709 -4.291 630 H ILE 91 H ILE 91 -7.055 0.259 1.664 631 HA ILE 91 HA ILE 91 -5.387 -2.068 2.250 632 HB ILE 91 HB ILE 91 -5.236 0.767 3.319 633 HG12 ILE 91 1HG1 ILE 91 -3.576 -0.669 1.224 634 HG13 ILE 91 2HG1 ILE 91 -4.705 0.651 0.933 635 HG21 ILE 91 1HG2 ILE 91 -3.302 -1.533 3.657 636 HG22 ILE 91 2HG2 ILE 91 -4.324 -0.840 4.917 637 HG23 ILE 91 3HG2 ILE 91 -3.035 0.126 4.197 638 HD11 ILE 91 1HD1 ILE 91 -2.150 0.826 2.519 639 HD12 ILE 91 2HD1 ILE 91 -3.284 2.149 2.238 640 HD13 ILE 91 3HD1 ILE 91 -2.416 1.429 0.884 641 H ASN 92 H ASN 92 -6.520 -3.481 3.502 642 HA ASN 92 HA ASN 92 -8.229 -2.438 5.626 643 HB2 ASN 92 1HB ASN 92 -8.932 -4.793 5.957 644 HB3 ASN 92 2HB ASN 92 -9.193 -4.230 4.314 645 HD21 ASN 92 1HD2 ASN 92 -6.555 -7.226 5.084 646 HD22 ASN 92 2HD2 ASN 92 -7.157 -6.220 6.352 647 H TRP 93 H TRP 93 -7.561 -2.200 7.601 648 HA TRP 93 HA TRP 93 -4.947 -3.222 8.373 649 HB2 TRP 93 2HB TRP 93 -6.732 -1.448 10.050 650 HB3 TRP 93 1HB TRP 93 -4.977 -1.595 10.099 651 HD1 TRP 93 1HD TRP 93 -3.593 -0.330 8.129 652 HE1 TRP 93 1HE TRP 93 -4.231 1.662 6.625 653 HE3 TRP 93 3HE TRP 93 -8.651 -0.325 8.879 654 HZ2 TRP 93 2HZ TRP 93 -6.562 3.057 5.871 655 HZ3 TRP 93 3HZ TRP 93 -10.012 1.377 7.733 656 HH2 TRP 93 2HH TRP 93 -8.986 3.033 6.260 657 H VAL 94 H VAL 94 -5.018 -5.285 9.096 658 HA VAL 94 HA VAL 94 -7.251 -6.071 10.829 659 HB VAL 94 HB VAL 94 -6.911 -7.700 9.177 660 HG11 VAL 94 1HG1 VAL 94 -4.760 -8.763 8.664 661 HG12 VAL 94 2HG1 VAL 94 -3.963 -7.726 9.847 662 HG13 VAL 94 3HG1 VAL 94 -4.688 -7.020 8.404 663 HG21 VAL 94 1HG2 VAL 94 -6.247 -9.712 10.419 664 HG22 VAL 94 2HG2 VAL 94 -7.283 -8.654 11.378 665 HG23 VAL 94 3HG2 VAL 94 -5.544 -8.693 11.677 666 H TRP 95 H TRP 95 -7.059 -6.073 12.899 667 HA TRP 95 HA TRP 95 -4.424 -6.327 14.169 668 HB2 TRP 95 2HB TRP 95 -5.221 -4.492 15.773 669 HB3 TRP 95 1HB TRP 95 -4.743 -3.982 14.157 670 HD1 TRP 95 1HD TRP 95 -6.849 -3.502 12.401 671 HE1 TRP 95 1HE TRP 95 -9.174 -2.517 12.872 672 HE3 TRP 95 3HE TRP 95 -7.033 -4.275 17.457 673 HZ2 TRP 95 2HZ TRP 95 -10.853 -2.101 15.096 674 HZ3 TRP 95 3HZ TRP 95 -9.040 -3.548 18.680 675 HH2 TRP 95 2HH TRP 95 -10.909 -2.484 17.523 676 H ASN 96 H ASN 96 -7.555 -7.431 13.957 677 HA ASN 96 HA ASN 96 -7.519 -9.092 16.184 678 HB2 ASN 96 1HB ASN 96 -8.382 -6.370 16.849 679 HB3 ASN 96 2HB ASN 96 -9.631 -7.551 17.214 680 HD21 ASN 96 1HD2 ASN 96 -6.325 -7.250 19.515 681 HD22 ASN 96 2HD2 ASN 96 -6.537 -6.308 18.082 682 HA PRO 97 HA PRO 97 -11.915 -9.184 14.403 683 HB2 PRO 97 2HB PRO 97 -13.002 -7.148 13.074 684 HB3 PRO 97 1HB PRO 97 -12.772 -7.052 14.824 685 HG2 PRO 97 2HG PRO 97 -11.151 -5.821 12.631 686 HG3 PRO 97 1HG PRO 97 -11.626 -5.134 14.195 687 HD2 PRO 97 2HD PRO 97 -9.159 -6.315 13.616 688 HD3 PRO 97 1HD PRO 97 -9.807 -6.021 15.241 689 HA PRO 98 HA PRO 98 -11.425 -10.641 10.183 690 HB2 PRO 98 2HB PRO 98 -14.238 -9.794 9.678 691 HB3 PRO 98 1HB PRO 98 -13.485 -11.379 9.469 692 HG2 PRO 98 2HG PRO 98 -15.149 -10.912 11.506 693 HG3 PRO 98 1HG PRO 98 -13.707 -11.927 11.718 694 HD2 PRO 98 2HD PRO 98 -14.169 -9.082 12.541 695 HD3 PRO 98 1HD PRO 98 -13.312 -10.381 13.399 696 H TRP 99 H TRP 99 -11.395 -9.871 7.961 697 HA TRP 99 HA TRP 99 -10.573 -7.149 7.844 698 HB2 TRP 99 2HB TRP 99 -11.081 -9.002 5.503 699 HB3 TRP 99 1HB TRP 99 -10.043 -7.582 5.531 700 HD1 TRP 99 1HD TRP 99 -7.735 -7.829 7.068 701 HE1 TRP 99 1HE TRP 99 -6.281 -9.905 7.474 702 HE3 TRP 99 3HE TRP 99 -11.100 -11.450 5.762 703 HZ2 TRP 99 2HZ TRP 99 -6.521 -12.713 7.277 704 HZ3 TRP 99 3HZ TRP 99 -10.408 -13.809 5.900 705 HH2 TRP 99 2HH TRP 99 -8.164 -14.425 6.642 706 H GLY 100 H GLY 100 -13.556 -8.760 7.331 707 HA2 GLY 100 1HA GLY 100 -14.953 -7.540 5.402 708 HA3 GLY 100 2HA GLY 100 -15.672 -7.939 6.949 709 HA PRO 101 HA PRO 101 -16.351 -3.679 7.914 710 HB2 PRO 101 2HB PRO 101 -15.101 -3.192 10.311 711 HB3 PRO 101 1HB PRO 101 -16.614 -4.091 10.161 712 HG2 PRO 101 2HG PRO 101 -13.816 -5.132 10.445 713 HG3 PRO 101 1HG PRO 101 -15.302 -5.687 11.240 714 HD2 PRO 101 2HD PRO 101 -14.254 -6.988 9.129 715 HD3 PRO 101 1HD PRO 101 -16.009 -6.871 9.375 716 H ASP 102 H ASP 102 -12.976 -4.492 8.657 717 HA ASP 102 HA ASP 102 -12.018 -1.839 8.286 718 HB2 ASP 102 1HB ASP 102 -10.519 -4.464 8.481 719 HB3 ASP 102 2HB ASP 102 -9.758 -2.876 8.491 720 H LYS 103 H LYS 103 -13.010 -4.106 6.055 721 HA LYS 103 HA LYS 103 -11.183 -3.462 3.935 722 HB2 LYS 103 1HB LYS 103 -13.768 -4.948 4.160 723 HB3 LYS 103 2HB LYS 103 -13.324 -4.346 2.572 724 HG2 LYS 103 1HG LYS 103 -11.573 -6.135 4.259 725 HG3 LYS 103 2HG LYS 103 -12.671 -6.704 3.002 726 HD2 LYS 103 1HD LYS 103 -11.414 -5.092 1.438 727 HD3 LYS 103 2HD LYS 103 -10.189 -5.020 2.707 728 HE2 LYS 103 1HE LYS 103 -11.136 -7.517 1.288 729 HE3 LYS 103 2HE LYS 103 -9.619 -6.675 0.993 730 HZ1 LYS 103 1HZ LYS 103 -10.405 -8.005 3.530 731 HZ2 LYS 103 2HZ LYS 103 -8.950 -7.176 3.265 732 HZ3 LYS 103 3HZ LYS 103 -9.286 -8.588 2.403 733 H ILE 104 H ILE 104 -13.915 -1.935 5.376 734 HA ILE 104 HA ILE 104 -14.246 -0.107 3.116 735 HB ILE 104 HB ILE 104 -15.606 -0.023 5.825 736 HG12 ILE 104 1HG1 ILE 104 -16.595 -1.151 3.186 737 HG13 ILE 104 2HG1 ILE 104 -16.184 -2.088 4.619 738 HG21 ILE 104 1HG2 ILE 104 -16.267 1.404 3.237 739 HG22 ILE 104 2HG2 ILE 104 -15.571 2.141 4.680 740 HG23 ILE 104 3HG2 ILE 104 -17.206 1.484 4.730 741 HD11 ILE 104 1HD1 ILE 104 -18.590 -1.845 4.358 742 HD12 ILE 104 2HD1 ILE 104 -18.430 -0.089 4.412 743 HD13 ILE 104 3HD1 ILE 104 -18.025 -1.057 5.831 744 H THR 105 H THR 105 -12.295 0.908 3.033 745 HA THR 105 HA THR 105 -10.904 1.849 5.319 746 HB THR 105 HB THR 105 -9.448 2.967 3.534 747 HG1 THR 105 1HG THR 105 -11.414 2.723 1.990 748 HG21 THR 105 1HG2 THR 105 -9.963 -0.009 3.352 749 HG22 THR 105 2HG2 THR 105 -8.924 0.786 4.532 750 HG23 THR 105 3HG2 THR 105 -8.495 0.819 2.823 751 H GLU 106 H GLU 106 -9.966 4.314 4.944 752 HA GLU 106 HA GLU 106 -12.032 5.744 6.187 753 HB2 GLU 106 1HB GLU 106 -9.362 6.668 5.137 754 HB3 GLU 106 2HB GLU 106 -10.464 7.725 6.011 755 HG2 GLU 106 1HG GLU 106 -10.403 6.026 7.886 756 HG3 GLU 106 2HG GLU 106 -9.072 5.258 7.026 757 H ASP 107 H ASP 107 -11.088 5.657 2.830 758 HA ASP 107 HA ASP 107 -12.204 8.082 1.961 759 HB2 ASP 107 1HB ASP 107 -12.226 7.131 -0.269 760 HB3 ASP 107 2HB ASP 107 -10.762 6.597 0.551 761 H GLY 108 H GLY 108 -13.651 4.904 2.480 762 HA2 GLY 108 1HA GLY 108 -16.293 5.741 1.657 763 HA3 GLY 108 2HA GLY 108 -15.859 4.207 2.396 764 H ARG 109 H ARG 109 -14.486 5.654 4.617 765 HA ARG 109 HA ARG 109 -16.722 5.615 6.404 766 HB2 ARG 109 1HB ARG 109 -13.851 6.448 6.894 767 HB3 ARG 109 2HB ARG 109 -15.047 6.142 8.143 768 HG2 ARG 109 1HG ARG 109 -14.363 3.989 6.176 769 HG3 ARG 109 2HG ARG 109 -13.292 4.320 7.535 770 HD2 ARG 109 1HD ARG 109 -14.785 2.542 8.139 771 HD3 ARG 109 2HD ARG 109 -15.201 3.974 9.076 772 HE ARG 109 HE ARG 109 -17.043 4.288 7.390 773 HH11 ARG 109 1HH1 ARG 109 -15.701 1.109 8.002 774 HH12 ARG 109 2HH1 ARG 109 -17.192 0.282 7.686 775 HH21 ARG 109 1HH2 ARG 109 -19.003 3.182 6.958 776 HH22 ARG 109 2HH2 ARG 109 -19.056 1.450 7.099 777 H GLU 110 H GLU 110 -14.550 8.175 5.227 778 HA GLU 110 HA GLU 110 -15.569 10.141 7.020 779 HB2 GLU 110 1HB GLU 110 -13.817 10.499 4.595 780 HB3 GLU 110 2HB GLU 110 -14.099 11.703 5.845 781 HG2 GLU 110 1HG GLU 110 -13.095 10.137 7.499 782 HG3 GLU 110 2HG GLU 110 -12.693 9.057 6.163 783 H GLN 111 H GLN 111 -16.236 9.369 3.675 784 HA GLN 111 HA GLN 111 -17.496 11.970 3.309 785 HB2 GLN 111 1HB GLN 111 -17.068 9.824 1.231 786 HB3 GLN 111 2HB GLN 111 -17.356 11.544 0.971 787 HG2 GLN 111 1HG GLN 111 -15.196 11.992 2.181 788 HG3 GLN 111 2HG GLN 111 -14.902 10.256 2.157 789 HE21 GLN 111 1HE2 GLN 111 -13.119 10.881 -0.788 790 HE22 GLN 111 2HE2 GLN 111 -13.061 10.454 0.888 791 H LEU 112 H LEU 112 -19.286 11.571 4.666 792 HA LEU 112 HA LEU 112 -21.308 9.693 3.701 793 HB2 LEU 112 1HB LEU 112 -20.863 9.928 6.139 794 HB3 LEU 112 2HB LEU 112 -21.383 11.597 6.046 795 HG LEU 112 HG LEU 112 -23.652 10.840 5.396 796 HD11 LEU 112 1HD1 LEU 112 -24.258 8.479 5.638 797 HD12 LEU 112 2HD1 LEU 112 -22.564 8.071 5.910 798 HD13 LEU 112 3HD1 LEU 112 -23.077 8.720 4.352 799 HD21 LEU 112 1HD2 LEU 112 -24.302 9.979 7.602 800 HD22 LEU 112 2HD2 LEU 112 -23.155 11.312 7.737 801 HD23 LEU 112 3HD2 LEU 112 -22.609 9.652 7.974 802 H ARG 113 H ARG 113 -23.516 10.497 3.353 803 HA ARG 113 HA ARG 113 -23.466 12.476 1.330 804 HB2 ARG 113 1HB ARG 113 -25.908 11.317 2.697 805 HB3 ARG 113 2HB ARG 113 -25.850 12.080 1.113 806 HG2 ARG 113 1HG ARG 113 -24.417 10.254 0.297 807 HG3 ARG 113 2HG ARG 113 -24.517 9.485 1.883 808 HD2 ARG 113 1HD ARG 113 -26.758 9.964 -0.078 809 HD3 ARG 113 2HD ARG 113 -26.101 8.413 0.444 810 HE ARG 113 HE ARG 113 -27.686 10.244 2.140 811 HH11 ARG 113 1HH1 ARG 113 -26.515 7.026 1.395 812 HH12 ARG 113 2HH1 ARG 113 -27.546 6.251 2.555 813 HH21 ARG 113 1HH2 ARG 113 -29.017 9.226 3.683 814 HH22 ARG 113 2HH2 ARG 113 -28.986 7.496 3.841 815 H ALA 114 H ALA 114 -24.639 12.501 4.670 816 HA ALA 114 HA ALA 114 -25.962 14.958 4.676 817 HB1 ALA 114 1HB ALA 114 -24.460 13.638 6.940 818 HB2 ALA 114 2HB ALA 114 -26.145 13.356 6.504 819 HB3 ALA 114 3HB ALA 114 -25.643 14.934 7.112 820 H LEU 115 H LEU 115 -22.588 14.271 4.562 821 HA LEU 115 HA LEU 115 -21.767 16.839 5.654 822 HB2 LEU 115 1HB LEU 115 -20.145 14.553 4.508 823 HB3 LEU 115 2HB LEU 115 -19.476 15.977 5.286 824 HG LEU 115 HG LEU 115 -21.209 13.888 6.626 825 HD11 LEU 115 1HD1 LEU 115 -18.948 13.094 6.105 826 HD12 LEU 115 2HD1 LEU 115 -19.197 13.278 7.842 827 HD13 LEU 115 3HD1 LEU 115 -18.267 14.486 6.951 828 HD21 LEU 115 1HD2 LEU 115 -19.869 16.350 7.756 829 HD22 LEU 115 2HD2 LEU 115 -20.662 15.093 8.706 830 HD23 LEU 115 3HD2 LEU 115 -21.604 16.081 7.592 831 H GLY 116 H GLY 116 -23.292 16.600 3.081 832 HA2 GLY 116 1HA GLY 116 -21.714 17.195 0.859 833 HA3 GLY 116 2HA GLY 116 -23.370 17.738 1.098 834 H PHE 117 H PHE 117 -22.837 19.276 3.478 835 HA PHE 117 HA PHE 117 -21.030 21.364 2.450 836 HB2 PHE 117 2HB PHE 117 -22.495 23.099 3.294 837 HB3 PHE 117 1HB PHE 117 -23.408 22.063 2.211 838 HD1 PHE 117 1HD PHE 117 -24.901 20.265 3.270 839 HD2 PHE 117 2HD PHE 117 -23.265 23.536 5.455 840 HE1 PHE 117 1HE PHE 117 -26.619 19.964 5.004 841 HE2 PHE 117 2HE PHE 117 -24.980 23.237 7.193 842 HZ PHE 117 HZ PHE 117 -26.658 21.448 6.967 843 H THR 118 H THR 118 -19.537 22.079 3.838 844 HA THR 118 HA THR 118 -19.762 21.420 6.685 845 HB THR 118 HB THR 118 -18.513 19.548 5.704 846 HG1 THR 118 1HG THR 118 -16.325 20.587 6.834 847 HG21 THR 118 1HG2 THR 118 -16.566 21.650 4.730 848 HG22 THR 118 2HG2 THR 118 -17.632 20.679 3.711 849 HG23 THR 118 3HG2 THR 118 -16.337 19.905 4.625 850 H VAL 119 H VAL 119 -18.153 22.564 7.993 851 HA VAL 119 HA VAL 119 -17.404 25.139 6.779 852 HB VAL 119 HB VAL 119 -17.479 25.985 9.224 853 HG11 VAL 119 1HG1 VAL 119 -19.875 26.466 9.065 854 HG12 VAL 119 2HG1 VAL 119 -20.060 25.202 7.850 855 HG13 VAL 119 3HG1 VAL 119 -19.097 26.634 7.491 856 HG21 VAL 119 1HG2 VAL 119 -19.170 23.487 9.521 857 HG22 VAL 119 2HG2 VAL 119 -19.044 24.790 10.705 858 HG23 VAL 119 3HG2 VAL 119 -17.633 23.802 10.330 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 13.841 -2.121 1.205 2 H2 GLY 1 2H GLY 1 15.410 -1.742 0.706 3 H3 GLY 1 3H GLY 1 14.703 -0.893 1.981 4 HA2 GLY 1 1HA GLY 1 16.302 -2.492 2.813 5 HA3 GLY 1 2HA GLY 1 14.668 -2.884 3.336 6 HA PRO 2 HA PRO 2 16.634 -6.676 1.354 7 HB2 PRO 2 2HB PRO 2 15.581 -7.961 3.808 8 HB3 PRO 2 1HB PRO 2 17.181 -8.089 3.072 9 HG2 PRO 2 2HG PRO 2 16.810 -6.718 5.342 10 HG3 PRO 2 1HG PRO 2 17.960 -6.164 4.109 11 HD2 PRO 2 2HD PRO 2 15.178 -5.190 4.680 12 HD3 PRO 2 1HD PRO 2 16.646 -4.254 4.318 13 H GLY 3 H GLY 3 13.582 -5.990 2.941 14 HA2 GLY 3 1HA GLY 3 12.044 -8.142 2.075 15 HA3 GLY 3 2HA GLY 3 11.425 -6.534 2.412 16 H SER 4 H SER 4 12.308 -8.796 -0.008 17 HA SER 4 HA SER 4 10.791 -7.302 -1.974 18 HB2 SER 4 1HB SER 4 13.061 -6.460 -2.390 19 HB3 SER 4 2HB SER 4 13.681 -8.109 -2.478 20 HG SER 4 HG SER 4 11.595 -7.297 -4.199 21 H MET 5 H MET 5 9.318 -8.831 -2.416 22 HA MET 5 HA MET 5 10.023 -11.313 -3.619 23 HB2 MET 5 1HB MET 5 9.081 -12.806 -1.850 24 HB3 MET 5 2HB MET 5 10.564 -11.998 -1.362 25 HG2 MET 5 1HG MET 5 9.245 -10.350 -0.110 26 HG3 MET 5 2HG MET 5 7.769 -11.196 -0.574 27 HE1 MET 5 1HE MET 5 8.644 -10.467 2.420 28 HE2 MET 5 2HE MET 5 8.230 -11.948 3.283 29 HE3 MET 5 3HE MET 5 7.130 -11.300 2.065 30 H SER 6 H SER 6 8.126 -8.861 -3.612 31 HA SER 6 HA SER 6 5.654 -10.387 -4.161 32 HB2 SER 6 1HB SER 6 5.786 -7.576 -3.027 33 HB3 SER 6 2HB SER 6 4.335 -8.545 -3.292 34 HG SER 6 HG SER 6 5.632 -8.420 -1.099 35 H GLU 7 H GLU 7 8.065 -8.422 -5.347 36 HA GLU 7 HA GLU 7 6.529 -6.723 -7.078 37 HB2 GLU 7 1HB GLU 7 9.507 -7.303 -7.066 38 HB3 GLU 7 2HB GLU 7 8.718 -5.978 -7.906 39 HG2 GLU 7 1HG GLU 7 9.790 -5.178 -5.884 40 HG3 GLU 7 2HG GLU 7 8.041 -5.011 -5.752 41 H THR 8 H THR 8 5.309 -8.067 -8.388 42 HA THR 8 HA THR 8 6.773 -9.520 -10.472 43 HB THR 8 HB THR 8 5.016 -11.404 -10.191 44 HG1 THR 8 1HG THR 8 4.893 -10.172 -7.614 45 HG21 THR 8 1HG2 THR 8 7.389 -11.751 -9.698 46 HG22 THR 8 2HG2 THR 8 6.379 -12.579 -8.514 47 HG23 THR 8 3HG2 THR 8 7.167 -11.061 -8.089 48 H SER 9 H SER 9 5.220 -7.028 -10.414 49 HA SER 9 HA SER 9 3.053 -7.754 -12.282 50 HB2 SER 9 1HB SER 9 3.002 -5.461 -10.293 51 HB3 SER 9 2HB SER 9 1.692 -5.955 -11.369 52 HG SER 9 HG SER 9 1.282 -7.667 -10.124 53 H ALA 10 H ALA 10 2.749 -6.381 -14.047 54 HA ALA 10 HA ALA 10 3.186 -4.819 -15.633 55 HB1 ALA 10 1HB ALA 10 3.194 -3.161 -13.826 56 HB2 ALA 10 2HB ALA 10 4.377 -2.764 -15.068 57 HB3 ALA 10 3HB ALA 10 4.905 -3.473 -13.543 58 HA PRO 11 HA PRO 11 6.849 -6.235 -17.719 59 HB2 PRO 11 2HB PRO 11 7.597 -3.925 -19.073 60 HB3 PRO 11 1HB PRO 11 6.380 -5.072 -19.638 61 HG2 PRO 11 2HG PRO 11 6.016 -2.480 -18.183 62 HG3 PRO 11 1HG PRO 11 5.070 -3.155 -19.525 63 HD2 PRO 11 2HD PRO 11 4.165 -3.245 -17.003 64 HD3 PRO 11 1HD PRO 11 3.888 -4.598 -18.123 65 H ALA 12 H ALA 12 9.128 -6.086 -17.619 66 HA ALA 12 HA ALA 12 10.189 -5.611 -15.160 67 HB1 ALA 12 1HB ALA 12 11.700 -5.467 -17.772 68 HB2 ALA 12 2HB ALA 12 11.291 -6.941 -16.893 69 HB3 ALA 12 3HB ALA 12 12.401 -5.770 -16.181 70 H GLU 13 H GLU 13 10.148 -3.315 -17.851 71 HA GLU 13 HA GLU 13 11.835 -1.382 -16.650 72 HB2 GLU 13 1HB GLU 13 9.688 -0.722 -18.666 73 HB3 GLU 13 2HB GLU 13 11.240 0.068 -18.431 74 HG2 GLU 13 1HG GLU 13 11.755 -1.106 -20.296 75 HG3 GLU 13 2HG GLU 13 12.127 -2.358 -19.114 76 H GLU 14 H GLU 14 8.309 -1.596 -16.971 77 HA GLU 14 HA GLU 14 7.759 0.789 -15.536 78 HB2 GLU 14 1HB GLU 14 6.194 -0.191 -17.173 79 HB3 GLU 14 2HB GLU 14 5.963 -1.582 -16.125 80 HG2 GLU 14 1HG GLU 14 4.866 -0.248 -14.473 81 HG3 GLU 14 2HG GLU 14 5.276 1.240 -15.327 82 H LEU 15 H LEU 15 8.163 -2.552 -14.649 83 HA LEU 15 HA LEU 15 7.072 -2.473 -12.045 84 HB2 LEU 15 1HB LEU 15 7.624 -4.520 -13.438 85 HB3 LEU 15 2HB LEU 15 9.308 -4.257 -13.045 86 HG LEU 15 HG LEU 15 7.164 -4.791 -10.968 87 HD11 LEU 15 1HD1 LEU 15 8.047 -7.082 -10.881 88 HD12 LEU 15 2HD1 LEU 15 9.091 -6.728 -12.257 89 HD13 LEU 15 3HD1 LEU 15 7.340 -6.706 -12.453 90 HD21 LEU 15 1HD2 LEU 15 10.184 -4.828 -10.806 91 HD22 LEU 15 2HD2 LEU 15 9.096 -5.377 -9.531 92 HD23 LEU 15 3HD2 LEU 15 9.095 -3.684 -10.018 93 H LEU 16 H LEU 16 10.399 -2.153 -13.262 94 HA LEU 16 HA LEU 16 11.688 -1.819 -10.813 95 HB2 LEU 16 1HB LEU 16 12.861 -2.236 -12.927 96 HB3 LEU 16 2HB LEU 16 12.416 -0.641 -13.503 97 HG LEU 16 HG LEU 16 13.786 0.382 -11.715 98 HD11 LEU 16 1HD1 LEU 16 13.640 -1.362 -10.035 99 HD12 LEU 16 2HD1 LEU 16 15.329 -1.025 -10.416 100 HD13 LEU 16 3HD1 LEU 16 14.550 -2.470 -11.066 101 HD21 LEU 16 1HD2 LEU 16 15.986 -0.236 -12.631 102 HD22 LEU 16 2HD2 LEU 16 14.786 0.021 -13.897 103 HD23 LEU 16 3HD2 LEU 16 15.250 -1.619 -13.443 104 H ALA 17 H ALA 17 10.499 0.673 -13.057 105 HA ALA 17 HA ALA 17 11.163 2.902 -11.487 106 HB1 ALA 17 1HB ALA 17 10.596 3.061 -13.860 107 HB2 ALA 17 2HB ALA 17 9.589 4.140 -12.894 108 HB3 ALA 17 3HB ALA 17 8.926 2.621 -13.500 109 H ASP 18 H ASP 18 8.129 1.076 -11.738 110 HA ASP 18 HA ASP 18 6.560 2.656 -10.049 111 HB2 ASP 18 1HB ASP 18 5.535 0.979 -11.464 112 HB3 ASP 18 2HB ASP 18 6.420 -0.311 -10.654 113 H VAL 19 H VAL 19 8.523 -0.216 -9.319 114 HA VAL 19 HA VAL 19 7.755 -0.276 -6.594 115 HB VAL 19 HB VAL 19 8.656 -2.270 -7.844 116 HG11 VAL 19 1HG1 VAL 19 10.582 -1.212 -8.920 117 HG12 VAL 19 2HG1 VAL 19 11.081 -2.596 -7.947 118 HG13 VAL 19 3HG1 VAL 19 11.332 -0.958 -7.341 119 HG21 VAL 19 1HG2 VAL 19 8.398 -2.281 -5.415 120 HG22 VAL 19 2HG2 VAL 19 10.008 -1.584 -5.229 121 HG23 VAL 19 3HG2 VAL 19 9.820 -3.207 -5.896 122 H GLU 20 H GLU 20 10.553 1.142 -8.299 123 HA GLU 20 HA GLU 20 11.965 1.690 -5.895 124 HB2 GLU 20 1HB GLU 20 13.538 2.910 -7.207 125 HB3 GLU 20 2HB GLU 20 13.049 1.502 -8.129 126 HG2 GLU 20 1HG GLU 20 13.046 3.085 -9.767 127 HG3 GLU 20 2HG GLU 20 11.370 3.194 -9.238 128 H GLU 21 H GLU 21 9.691 3.620 -7.843 129 HA GLU 21 HA GLU 21 9.983 5.923 -6.158 130 HB2 GLU 21 1HB GLU 21 8.001 6.809 -7.277 131 HB3 GLU 21 2HB GLU 21 9.160 6.179 -8.435 132 HG2 GLU 21 1HG GLU 21 7.798 4.129 -8.636 133 HG3 GLU 21 2HG GLU 21 6.613 4.842 -7.541 134 H ALA 22 H ALA 22 7.602 3.282 -6.315 135 HA ALA 22 HA ALA 22 5.936 4.138 -4.229 136 HB1 ALA 22 1HB ALA 22 6.559 1.297 -5.054 137 HB2 ALA 22 2HB ALA 22 5.341 2.335 -5.789 138 HB3 ALA 22 3HB ALA 22 5.165 1.825 -4.109 139 H MET 23 H MET 23 9.030 2.538 -4.198 140 HA MET 23 HA MET 23 8.991 1.506 -1.567 141 HB2 MET 23 1HB MET 23 11.190 2.155 -3.519 142 HB3 MET 23 2HB MET 23 11.599 1.740 -1.862 143 HG2 MET 23 1HG MET 23 9.903 -0.029 -3.614 144 HG3 MET 23 2HG MET 23 11.661 -0.142 -3.540 145 HE1 MET 23 1HE MET 23 9.567 -2.564 -2.896 146 HE2 MET 23 2HE MET 23 10.429 -3.300 -1.541 147 HE3 MET 23 3HE MET 23 11.323 -2.716 -2.947 148 H ARG 24 H ARG 24 9.136 4.664 -2.722 149 HA ARG 24 HA ARG 24 10.367 5.788 -0.327 150 HB2 ARG 24 1HB ARG 24 9.750 6.686 -3.027 151 HB3 ARG 24 2HB ARG 24 9.167 7.835 -1.845 152 HG2 ARG 24 1HG ARG 24 11.347 8.525 -2.460 153 HG3 ARG 24 2HG ARG 24 11.481 7.832 -0.845 154 HD2 ARG 24 1HD ARG 24 13.322 7.108 -2.295 155 HD3 ARG 24 2HD ARG 24 12.322 5.746 -1.791 156 HE ARG 24 HE ARG 24 11.449 5.593 -3.979 157 HH11 ARG 24 1HH1 ARG 24 13.963 8.029 -3.703 158 HH12 ARG 24 2HH1 ARG 24 14.208 8.134 -5.418 159 HH21 ARG 24 1HH2 ARG 24 11.797 5.729 -6.225 160 HH22 ARG 24 2HH2 ARG 24 12.997 6.812 -6.847 161 H ASP 25 H ASP 25 7.198 5.220 -1.723 162 HA ASP 25 HA ASP 25 5.849 7.019 0.117 163 HB2 ASP 25 1HB ASP 25 4.882 5.222 -2.111 164 HB3 ASP 25 2HB ASP 25 3.762 6.050 -1.036 165 H VAL 26 H VAL 26 6.542 3.621 -0.117 166 HA VAL 26 HA VAL 26 4.679 3.094 2.114 167 HB VAL 26 HB VAL 26 4.630 0.743 1.375 168 HG11 VAL 26 1HG1 VAL 26 2.891 2.260 0.609 169 HG12 VAL 26 2HG1 VAL 26 3.275 1.101 -0.665 170 HG13 VAL 26 3HG1 VAL 26 3.889 2.752 -0.762 171 HG21 VAL 26 1HG2 VAL 26 5.536 0.116 -0.831 172 HG22 VAL 26 2HG2 VAL 26 6.810 0.584 0.295 173 HG23 VAL 26 3HG2 VAL 26 6.289 1.705 -0.962 174 H VAL 27 H VAL 27 7.121 4.191 2.661 175 HA VAL 27 HA VAL 27 8.374 2.056 4.222 176 HB VAL 27 HB VAL 27 9.675 2.374 2.063 177 HG11 VAL 27 1HG1 VAL 27 11.106 4.358 1.881 178 HG12 VAL 27 2HG1 VAL 27 10.309 5.059 3.292 179 HG13 VAL 27 3HG1 VAL 27 9.393 4.779 1.812 180 HG21 VAL 27 1HG2 VAL 27 11.875 2.412 3.145 181 HG22 VAL 27 2HG2 VAL 27 10.731 1.403 4.030 182 HG23 VAL 27 3HG2 VAL 27 11.132 3.013 4.629 183 H ASP 28 H ASP 28 9.578 2.877 6.035 184 HA ASP 28 HA ASP 28 9.106 5.703 6.695 185 HB2 ASP 28 1HB ASP 28 8.393 4.122 8.440 186 HB3 ASP 28 2HB ASP 28 10.002 3.405 8.468 187 HA PRO 29 HA PRO 29 13.452 5.566 5.328 188 HB2 PRO 29 2HB PRO 29 13.486 7.942 4.042 189 HB3 PRO 29 1HB PRO 29 12.778 6.494 3.325 190 HG2 PRO 29 2HG PRO 29 11.431 8.848 4.548 191 HG3 PRO 29 1HG PRO 29 10.908 7.822 3.198 192 HD2 PRO 29 2HD PRO 29 10.009 7.649 5.857 193 HD3 PRO 29 1HD PRO 29 9.780 6.427 4.593 194 H GLU 30 H GLU 30 11.780 7.491 7.512 195 HA GLU 30 HA GLU 30 13.778 9.381 8.209 196 HB2 GLU 30 1HB GLU 30 11.589 8.267 9.985 197 HB3 GLU 30 2HB GLU 30 12.453 9.785 10.201 198 HG2 GLU 30 1HG GLU 30 10.478 9.091 8.036 199 HG3 GLU 30 2HG GLU 30 10.291 10.273 9.329 200 H LEU 31 H LEU 31 12.758 6.324 9.750 201 HA LEU 31 HA LEU 31 15.352 6.204 11.134 202 HB2 LEU 31 1HB LEU 31 12.795 4.651 11.576 203 HB3 LEU 31 2HB LEU 31 14.278 4.396 12.477 204 HG LEU 31 HG LEU 31 12.665 6.960 12.472 205 HD11 LEU 31 1HD1 LEU 31 12.072 6.342 14.769 206 HD12 LEU 31 2HD1 LEU 31 12.916 4.806 14.574 207 HD13 LEU 31 3HD1 LEU 31 11.483 5.155 13.608 208 HD21 LEU 31 1HD2 LEU 31 15.053 6.150 14.139 209 HD22 LEU 31 2HD2 LEU 31 14.134 7.651 14.288 210 HD23 LEU 31 3HD2 LEU 31 15.066 7.331 12.826 211 H GLY 32 H GLY 32 13.561 4.827 8.549 212 HA2 GLY 32 1HA GLY 32 14.648 3.701 6.788 213 HA3 GLY 32 2HA GLY 32 15.922 3.223 7.895 214 H ILE 33 H ILE 33 12.421 2.805 8.301 215 HA ILE 33 HA ILE 33 12.838 -0.127 8.294 216 HB ILE 33 HB ILE 33 10.508 1.427 9.436 217 HG12 ILE 33 1HG1 ILE 33 11.385 0.440 11.646 218 HG13 ILE 33 2HG1 ILE 33 12.878 0.111 10.774 219 HG21 ILE 33 1HG2 ILE 33 9.784 -0.723 10.386 220 HG22 ILE 33 2HG2 ILE 33 11.087 -1.526 9.509 221 HG23 ILE 33 3HG2 ILE 33 9.790 -0.726 8.622 222 HD11 ILE 33 1HD1 ILE 33 11.638 2.829 11.136 223 HD12 ILE 33 2HD1 ILE 33 13.179 2.471 10.358 224 HD13 ILE 33 3HD1 ILE 33 12.974 2.173 12.082 225 H ASN 34 H ASN 34 11.663 -1.379 6.916 226 HA ASN 34 HA ASN 34 9.928 0.036 4.987 227 HB2 ASN 34 1HB ASN 34 11.534 -2.491 4.472 228 HB3 ASN 34 2HB ASN 34 10.481 -1.686 3.320 229 HD21 ASN 34 1HD2 ASN 34 13.893 0.362 4.277 230 HD22 ASN 34 2HD2 ASN 34 12.938 -0.353 5.525 231 H VAL 35 H VAL 35 7.847 -0.559 4.981 232 HA VAL 35 HA VAL 35 6.802 -2.281 6.922 233 HB VAL 35 HB VAL 35 4.646 -2.068 5.803 234 HG11 VAL 35 1HG1 VAL 35 6.223 0.511 5.744 235 HG12 VAL 35 2HG1 VAL 35 5.412 -0.188 7.145 236 HG13 VAL 35 3HG1 VAL 35 4.464 0.384 5.774 237 HG21 VAL 35 1HG2 VAL 35 4.436 -0.875 3.651 238 HG22 VAL 35 2HG2 VAL 35 5.330 -2.385 3.490 239 HG23 VAL 35 3HG2 VAL 35 6.193 -0.847 3.507 240 H VAL 36 H VAL 36 7.895 -2.896 3.685 241 HA VAL 36 HA VAL 36 6.604 -5.296 3.124 242 HB VAL 36 HB VAL 36 7.886 -4.049 1.446 243 HG11 VAL 36 1HG1 VAL 36 10.337 -4.189 1.371 244 HG12 VAL 36 2HG1 VAL 36 10.333 -5.019 2.929 245 HG13 VAL 36 3HG1 VAL 36 9.769 -3.351 2.816 246 HG21 VAL 36 1HG2 VAL 36 8.951 -5.962 0.322 247 HG22 VAL 36 2HG2 VAL 36 7.387 -6.396 1.012 248 HG23 VAL 36 3HG2 VAL 36 8.875 -6.883 1.825 249 H ASP 37 H ASP 37 9.324 -4.625 5.222 250 HA ASP 37 HA ASP 37 10.359 -7.263 5.370 251 HB2 ASP 37 1HB ASP 37 10.551 -5.014 7.390 252 HB3 ASP 37 2HB ASP 37 11.503 -6.493 7.432 253 H LEU 38 H LEU 38 7.587 -5.760 6.772 254 HA LEU 38 HA LEU 38 7.321 -7.578 8.987 255 HB2 LEU 38 1HB LEU 38 5.415 -5.626 7.689 256 HB3 LEU 38 2HB LEU 38 4.920 -6.679 8.999 257 HG LEU 38 HG LEU 38 5.430 -4.477 9.869 258 HD11 LEU 38 1HD1 LEU 38 7.584 -6.449 10.637 259 HD12 LEU 38 2HD1 LEU 38 5.946 -6.391 11.291 260 HD13 LEU 38 3HD1 LEU 38 7.059 -5.057 11.587 261 HD21 LEU 38 1HD2 LEU 38 7.667 -3.499 9.740 262 HD22 LEU 38 2HD2 LEU 38 6.978 -3.718 8.134 263 HD23 LEU 38 3HD2 LEU 38 8.202 -4.838 8.726 264 H GLY 39 H GLY 39 6.743 -7.721 5.650 265 HA2 GLY 39 1HA GLY 39 5.964 -9.371 4.279 266 HA3 GLY 39 2HA GLY 39 6.138 -10.449 5.651 267 H LEU 40 H LEU 40 3.973 -7.768 6.050 268 HA LEU 40 HA LEU 40 1.688 -9.581 5.775 269 HB2 LEU 40 1HB LEU 40 1.780 -8.248 7.826 270 HB3 LEU 40 2HB LEU 40 1.830 -6.767 6.885 271 HG LEU 40 HG LEU 40 -0.447 -7.200 6.053 272 HD11 LEU 40 1HD1 LEU 40 -1.804 -9.007 7.000 273 HD12 LEU 40 2HD1 LEU 40 -0.385 -9.634 7.841 274 HD13 LEU 40 3HD1 LEU 40 -0.438 -9.634 6.079 275 HD21 LEU 40 1HD2 LEU 40 -0.230 -7.350 9.057 276 HD22 LEU 40 2HD2 LEU 40 -1.657 -6.847 8.146 277 HD23 LEU 40 3HD2 LEU 40 -0.181 -5.884 8.078 278 H VAL 41 H VAL 41 3.110 -6.709 4.375 279 HA VAL 41 HA VAL 41 1.003 -6.087 2.580 280 HB VAL 41 HB VAL 41 2.887 -4.533 3.155 281 HG11 VAL 41 1HG1 VAL 41 5.010 -4.744 1.943 282 HG12 VAL 41 2HG1 VAL 41 4.486 -6.303 1.303 283 HG13 VAL 41 3HG1 VAL 41 4.739 -6.101 3.038 284 HG21 VAL 41 1HG2 VAL 41 2.440 -5.058 0.210 285 HG22 VAL 41 2HG2 VAL 41 3.131 -3.581 0.882 286 HG23 VAL 41 3HG2 VAL 41 1.466 -4.026 1.257 287 H TYR 42 H TYR 42 3.167 -8.648 2.781 288 HA TYR 42 HA TYR 42 3.476 -9.416 0.079 289 HB2 TYR 42 2HB TYR 42 4.756 -10.380 1.997 290 HB3 TYR 42 1HB TYR 42 3.291 -11.180 2.544 291 HD1 TYR 42 1HD TYR 42 5.839 -11.093 -0.141 292 HD2 TYR 42 2HD TYR 42 2.565 -13.241 1.541 293 HE1 TYR 42 1HE TYR 42 6.414 -13.043 -1.524 294 HE2 TYR 42 2HE TYR 42 3.132 -15.193 0.155 295 HH TYR 42 HH TYR 42 4.353 -15.626 -2.032 296 H GLY 43 H GLY 43 0.919 -9.619 2.397 297 HA2 GLY 43 1HA GLY 43 -0.809 -11.327 0.853 298 HA3 GLY 43 2HA GLY 43 -1.243 -10.395 2.282 299 H LEU 44 H LEU 44 -0.258 -9.880 -1.074 300 HA LEU 44 HA LEU 44 -2.372 -7.850 -1.295 301 HB2 LEU 44 1HB LEU 44 -1.032 -6.955 -3.237 302 HB3 LEU 44 2HB LEU 44 -0.328 -6.724 -1.651 303 HG LEU 44 HG LEU 44 1.063 -8.854 -2.207 304 HD11 LEU 44 1HD1 LEU 44 -0.121 -9.543 -4.215 305 HD12 LEU 44 2HD1 LEU 44 1.555 -9.144 -4.595 306 HD13 LEU 44 3HD1 LEU 44 0.268 -8.007 -4.992 307 HD21 LEU 44 1HD2 LEU 44 1.983 -6.598 -1.957 308 HD22 LEU 44 2HD2 LEU 44 1.611 -6.259 -3.647 309 HD23 LEU 44 3HD2 LEU 44 2.794 -7.500 -3.236 310 H ASP 45 H ASP 45 -3.824 -8.054 -2.910 311 HA ASP 45 HA ASP 45 -3.572 -10.153 -4.907 312 HB2 ASP 45 1HB ASP 45 -4.512 -11.332 -2.941 313 HB3 ASP 45 2HB ASP 45 -5.809 -10.145 -2.852 314 H VAL 46 H VAL 46 -4.010 -9.002 -6.669 315 HA VAL 46 HA VAL 46 -5.896 -6.785 -6.545 316 HB VAL 46 HB VAL 46 -4.233 -7.733 -8.887 317 HG11 VAL 46 1HG1 VAL 46 -6.158 -6.408 -9.561 318 HG12 VAL 46 2HG1 VAL 46 -4.666 -5.505 -9.811 319 HG13 VAL 46 3HG1 VAL 46 -5.699 -5.138 -8.428 320 HG21 VAL 46 1HG2 VAL 46 -3.642 -5.531 -6.910 321 HG22 VAL 46 2HG2 VAL 46 -2.692 -5.911 -8.347 322 HG23 VAL 46 3HG2 VAL 46 -2.794 -7.074 -7.025 323 H GLN 47 H GLN 47 -7.968 -7.181 -6.888 324 HA GLN 47 HA GLN 47 -8.761 -9.582 -8.366 325 HB2 GLN 47 1HB GLN 47 -9.724 -9.314 -6.152 326 HB3 GLN 47 2HB GLN 47 -10.347 -7.730 -6.584 327 HG2 GLN 47 1HG GLN 47 -11.792 -8.796 -8.281 328 HG3 GLN 47 2HG GLN 47 -11.206 -10.373 -7.754 329 HE21 GLN 47 1HE2 GLN 47 -13.219 -8.426 -4.795 330 HE22 GLN 47 2HE2 GLN 47 -11.834 -7.723 -5.551 331 H ASP 48 H ASP 48 -9.744 -9.511 -10.242 332 HA ASP 48 HA ASP 48 -10.091 -6.963 -11.603 333 HB2 ASP 48 1HB ASP 48 -10.493 -9.808 -12.591 334 HB3 ASP 48 2HB ASP 48 -10.655 -8.370 -13.593 335 H GLY 49 H GLY 49 -11.749 -6.379 -9.992 336 HA2 GLY 49 1HA GLY 49 -14.182 -7.858 -9.803 337 HA3 GLY 49 2HA GLY 49 -13.882 -6.253 -9.153 338 H ASP 50 H ASP 50 -16.298 -6.960 -10.246 339 HA ASP 50 HA ASP 50 -16.686 -6.180 -12.918 340 HB2 ASP 50 1HB ASP 50 -18.401 -7.382 -11.681 341 HB3 ASP 50 2HB ASP 50 -18.542 -6.063 -10.524 342 H GLU 51 H GLU 51 -16.213 -4.363 -9.985 343 HA GLU 51 HA GLU 51 -17.029 -1.842 -11.135 344 HB2 GLU 51 1HB GLU 51 -15.560 -2.467 -8.563 345 HB3 GLU 51 2HB GLU 51 -16.133 -0.870 -9.028 346 HG2 GLU 51 1HG GLU 51 -17.839 -3.299 -8.500 347 HG3 GLU 51 2HG GLU 51 -17.647 -1.900 -7.445 348 H GLY 52 H GLY 52 -14.347 -3.770 -11.497 349 HA2 GLY 52 1HA GLY 52 -12.748 -2.816 -13.182 350 HA3 GLY 52 2HA GLY 52 -12.565 -1.473 -12.060 351 H THR 53 H THR 53 -10.273 -2.541 -12.676 352 HA THR 53 HA THR 53 -9.509 -4.820 -11.130 353 HB THR 53 HB THR 53 -7.654 -2.686 -12.222 354 HG1 THR 53 1HG THR 53 -9.354 -4.250 -13.596 355 HG21 THR 53 1HG2 THR 53 -7.292 -5.652 -11.756 356 HG22 THR 53 2HG2 THR 53 -6.605 -4.356 -10.778 357 HG23 THR 53 3HG2 THR 53 -6.089 -4.566 -12.450 358 H VAL 54 H VAL 54 -9.495 -4.749 -8.945 359 HA VAL 54 HA VAL 54 -8.602 -2.267 -7.624 360 HB VAL 54 HB VAL 54 -10.954 -2.703 -7.158 361 HG11 VAL 54 1HG1 VAL 54 -11.002 -5.113 -7.528 362 HG12 VAL 54 2HG1 VAL 54 -11.692 -4.706 -5.956 363 HG13 VAL 54 3HG1 VAL 54 -10.063 -5.372 -6.058 364 HG21 VAL 54 1HG2 VAL 54 -9.217 -3.295 -4.754 365 HG22 VAL 54 2HG2 VAL 54 -10.880 -2.706 -4.708 366 HG23 VAL 54 3HG2 VAL 54 -9.606 -1.694 -5.388 367 H ALA 55 H ALA 55 -6.781 -2.395 -6.499 368 HA ALA 55 HA ALA 55 -5.488 -4.977 -6.099 369 HB1 ALA 55 1HB ALA 55 -3.536 -3.651 -5.432 370 HB2 ALA 55 2HB ALA 55 -4.502 -2.177 -5.493 371 HB3 ALA 55 3HB ALA 55 -4.188 -3.083 -6.971 372 H LEU 56 H LEU 56 -6.168 -6.087 -4.341 373 HA LEU 56 HA LEU 56 -6.934 -4.716 -1.884 374 HB2 LEU 56 1HB LEU 56 -6.750 -7.696 -2.360 375 HB3 LEU 56 2HB LEU 56 -7.662 -6.869 -1.111 376 HG LEU 56 HG LEU 56 -8.291 -6.753 -4.073 377 HD11 LEU 56 1HD1 LEU 56 -9.654 -8.305 -1.867 378 HD12 LEU 56 2HD1 LEU 56 -8.676 -8.988 -3.168 379 HD13 LEU 56 3HD1 LEU 56 -10.199 -8.183 -3.542 380 HD21 LEU 56 1HD2 LEU 56 -10.378 -5.702 -3.364 381 HD22 LEU 56 2HD2 LEU 56 -8.985 -4.746 -2.864 382 HD23 LEU 56 3HD2 LEU 56 -9.841 -5.741 -1.683 383 H ILE 57 H ILE 57 -5.224 -4.010 -0.718 384 HA ILE 57 HA ILE 57 -2.907 -5.804 -0.347 385 HB ILE 57 HB ILE 57 -3.028 -2.792 -0.006 386 HG12 ILE 57 1HG1 ILE 57 -1.717 -4.455 -2.179 387 HG13 ILE 57 2HG1 ILE 57 -3.181 -3.497 -2.370 388 HG21 ILE 57 1HG2 ILE 57 -0.574 -2.942 0.218 389 HG22 ILE 57 2HG2 ILE 57 -0.693 -4.700 0.180 390 HG23 ILE 57 3HG2 ILE 57 -1.417 -3.797 1.509 391 HD11 ILE 57 1HD1 ILE 57 -1.275 -2.341 -3.299 392 HD12 ILE 57 2HD1 ILE 57 -0.432 -2.439 -1.753 393 HD13 ILE 57 3HD1 ILE 57 -1.896 -1.465 -1.901 394 H ASP 58 H ASP 58 -2.709 -6.704 1.621 395 HA ASP 58 HA ASP 58 -4.297 -5.663 3.837 396 HB2 ASP 58 1HB ASP 58 -2.756 -8.206 3.374 397 HB3 ASP 58 2HB ASP 58 -3.245 -7.750 5.005 398 H MET 59 H MET 59 -3.561 -4.526 5.480 399 HA MET 59 HA MET 59 -0.697 -4.351 6.061 400 HB2 MET 59 1HB MET 59 -2.472 -1.972 5.452 401 HB3 MET 59 2HB MET 59 -0.900 -1.846 6.225 402 HG2 MET 59 1HG MET 59 0.137 -2.843 4.220 403 HG3 MET 59 2HG MET 59 -1.448 -2.871 3.445 404 HE1 MET 59 1HE MET 59 0.672 1.035 4.722 405 HE2 MET 59 2HE MET 59 1.329 -0.571 5.031 406 HE3 MET 59 3HE MET 59 -0.132 -0.041 5.866 407 H THR 60 H THR 60 -0.366 -2.977 8.100 408 HA THR 60 HA THR 60 -2.661 -2.907 9.894 409 HB THR 60 HB THR 60 -1.605 -5.148 10.256 410 HG1 THR 60 1HG THR 60 -2.354 -4.773 12.192 411 HG21 THR 60 1HG2 THR 60 0.593 -5.280 11.325 412 HG22 THR 60 2HG2 THR 60 0.778 -3.532 11.183 413 HG23 THR 60 3HG2 THR 60 0.720 -4.532 9.732 414 H LEU 61 H LEU 61 -1.924 -1.893 12.051 415 HA LEU 61 HA LEU 61 0.092 0.203 11.534 416 HB2 LEU 61 1HB LEU 61 -2.473 0.505 13.121 417 HB3 LEU 61 2HB LEU 61 -1.233 1.728 12.957 418 HG LEU 61 HG LEU 61 -2.975 2.380 11.511 419 HD11 LEU 61 1HD1 LEU 61 -1.987 2.340 9.294 420 HD12 LEU 61 2HD1 LEU 61 -0.928 1.011 9.768 421 HD13 LEU 61 3HD1 LEU 61 -0.746 2.594 10.524 422 HD21 LEU 61 1HD2 LEU 61 -4.003 0.948 9.827 423 HD22 LEU 61 2HD2 LEU 61 -4.212 0.275 11.444 424 HD23 LEU 61 3HD2 LEU 61 -3.007 -0.409 10.352 425 H THR 62 H THR 62 0.897 1.171 13.654 426 HA THR 62 HA THR 62 2.159 -0.871 15.101 427 HB THR 62 HB THR 62 2.904 1.012 16.615 428 HG1 THR 62 1HG THR 62 2.080 2.989 16.331 429 HG21 THR 62 1HG2 THR 62 3.195 1.497 13.642 430 HG22 THR 62 2HG2 THR 62 4.179 0.392 14.598 431 HG23 THR 62 3HG2 THR 62 4.254 2.127 14.900 432 H SER 63 H SER 63 -0.196 1.526 16.330 433 HA SER 63 HA SER 63 -0.929 -0.392 18.457 434 HB2 SER 63 1HB SER 63 0.124 1.652 19.321 435 HB3 SER 63 2HB SER 63 -1.064 2.641 18.476 436 HG SER 63 HG SER 63 -1.820 0.679 20.372 437 H ALA 64 H ALA 64 -1.994 1.004 15.636 438 HA ALA 64 HA ALA 64 -3.974 1.095 14.538 439 HB1 ALA 64 1HB ALA 64 -5.027 -0.628 16.783 440 HB2 ALA 64 2HB ALA 64 -4.199 -1.224 15.342 441 HB3 ALA 64 3HB ALA 64 -5.757 -0.409 15.190 442 H ALA 65 H ALA 65 -3.392 2.728 17.209 443 HA ALA 65 HA ALA 65 -6.075 3.883 17.516 444 HB1 ALA 65 1HB ALA 65 -4.897 3.207 19.577 445 HB2 ALA 65 2HB ALA 65 -5.216 4.940 19.537 446 HB3 ALA 65 3HB ALA 65 -3.597 4.332 19.191 447 H CYS 66 H CYS 66 -2.911 4.475 16.289 448 HA CYS 66 HA CYS 66 -3.149 7.330 16.092 449 HB2 CYS 66 2HB CYS 66 -1.180 5.508 14.686 450 HB3 CYS 66 1HB CYS 66 -0.999 7.232 15.000 451 HG CYS 66 HG CYS 66 -0.536 7.038 17.666 452 HA PRO 67 HA PRO 67 -5.378 7.279 12.222 453 HB2 PRO 67 2HB PRO 67 -5.142 9.884 11.562 454 HB3 PRO 67 1HB PRO 67 -6.145 9.356 12.918 455 HG2 PRO 67 2HG PRO 67 -3.360 10.474 12.950 456 HG3 PRO 67 1HG PRO 67 -4.735 10.875 13.997 457 HD2 PRO 67 2HD PRO 67 -2.746 9.168 14.746 458 HD3 PRO 67 1HD PRO 67 -4.415 9.029 15.336 459 H LEU 68 H LEU 68 -2.875 6.148 11.928 460 HA LEU 68 HA LEU 68 -1.308 7.545 9.958 461 HB2 LEU 68 1HB LEU 68 -1.229 4.651 10.834 462 HB3 LEU 68 2HB LEU 68 -0.029 5.437 9.823 463 HG LEU 68 HG LEU 68 -0.633 6.157 12.701 464 HD11 LEU 68 1HD1 LEU 68 1.737 4.709 11.512 465 HD12 LEU 68 2HD1 LEU 68 0.468 3.983 12.499 466 HD13 LEU 68 3HD1 LEU 68 1.549 5.186 13.201 467 HD21 LEU 68 1HD2 LEU 68 0.117 8.087 11.390 468 HD22 LEU 68 2HD2 LEU 68 1.526 7.174 10.847 469 HD23 LEU 68 3HD2 LEU 68 1.345 7.585 12.552 470 H THR 69 H THR 69 -4.201 5.876 9.856 471 HA THR 69 HA THR 69 -3.988 4.334 7.533 472 HB THR 69 HB THR 69 -5.881 4.142 9.103 473 HG1 THR 69 1HG THR 69 -6.951 4.828 6.564 474 HG21 THR 69 1HG2 THR 69 -6.294 6.511 9.565 475 HG22 THR 69 2HG2 THR 69 -7.759 5.721 8.981 476 HG23 THR 69 3HG2 THR 69 -6.826 6.754 7.901 477 H ASP 70 H ASP 70 -4.915 7.739 7.967 478 HA ASP 70 HA ASP 70 -5.603 8.350 5.338 479 HB2 ASP 70 1HB ASP 70 -4.146 10.187 7.266 480 HB3 ASP 70 2HB ASP 70 -5.139 10.675 5.898 481 H VAL 71 H VAL 71 -2.487 8.277 6.951 482 HA VAL 71 HA VAL 71 -0.951 9.413 4.873 483 HB VAL 71 HB VAL 71 -0.026 7.523 7.056 484 HG11 VAL 71 1HG1 VAL 71 2.173 8.591 6.741 485 HG12 VAL 71 2HG1 VAL 71 1.522 9.505 5.378 486 HG13 VAL 71 3HG1 VAL 71 1.627 7.746 5.293 487 HG21 VAL 71 1HG2 VAL 71 -0.191 10.543 7.065 488 HG22 VAL 71 2HG2 VAL 71 0.556 9.556 8.323 489 HG23 VAL 71 3HG2 VAL 71 -1.177 9.438 8.023 490 H ILE 72 H ILE 72 -1.442 6.004 5.862 491 HA ILE 72 HA ILE 72 0.188 4.949 3.812 492 HB ILE 72 HB ILE 72 -0.733 2.773 4.318 493 HG12 ILE 72 1HG1 ILE 72 -2.686 4.242 6.112 494 HG13 ILE 72 2HG1 ILE 72 -3.096 3.416 4.610 495 HG21 ILE 72 1HG2 ILE 72 -0.096 2.664 6.681 496 HG22 ILE 72 2HG2 ILE 72 -0.232 4.420 6.805 497 HG23 ILE 72 3HG2 ILE 72 1.001 3.701 5.768 498 HD11 ILE 72 1HD1 ILE 72 -2.399 1.305 5.572 499 HD12 ILE 72 2HD1 ILE 72 -3.652 2.072 6.550 500 HD13 ILE 72 3HD1 ILE 72 -1.967 2.122 7.072 501 H GLU 73 H GLU 73 -3.310 5.517 3.983 502 HA GLU 73 HA GLU 73 -3.981 4.299 1.535 503 HB2 GLU 73 1HB GLU 73 -5.312 6.458 3.167 504 HB3 GLU 73 2HB GLU 73 -5.992 5.907 1.640 505 HG2 GLU 73 1HG GLU 73 -6.157 3.645 2.511 506 HG3 GLU 73 2HG GLU 73 -5.441 4.164 4.037 507 H ASP 74 H ASP 74 -3.187 7.671 2.326 508 HA ASP 74 HA ASP 74 -3.536 8.737 -0.242 509 HB2 ASP 74 1HB ASP 74 -3.303 10.129 1.777 510 HB3 ASP 74 2HB ASP 74 -1.613 9.645 1.920 511 H GLN 75 H GLN 75 -0.612 7.481 1.328 512 HA GLN 75 HA GLN 75 1.145 7.952 -0.818 513 HB2 GLN 75 1HB GLN 75 1.242 5.986 1.475 514 HB3 GLN 75 2HB GLN 75 2.561 6.178 0.326 515 HG2 GLN 75 1HG GLN 75 2.946 8.410 0.990 516 HG3 GLN 75 2HG GLN 75 1.449 8.476 1.913 517 HE21 GLN 75 1HE2 GLN 75 3.118 6.020 4.264 518 HE22 GLN 75 2HE2 GLN 75 1.880 5.821 3.081 519 H SER 76 H SER 76 -0.778 5.092 0.027 520 HA SER 76 HA SER 76 0.194 3.421 -2.011 521 HB2 SER 76 1HB SER 76 -2.505 3.382 -0.630 522 HB3 SER 76 2HB SER 76 -1.868 2.085 -1.641 523 HG SER 76 HG SER 76 -1.049 2.934 0.899 524 H ARG 77 H ARG 77 -2.843 5.356 -1.918 525 HA ARG 77 HA ARG 77 -3.610 4.788 -4.544 526 HB2 ARG 77 1HB ARG 77 -5.101 6.696 -4.424 527 HB3 ARG 77 2HB ARG 77 -5.114 5.845 -2.892 528 HG2 ARG 77 1HG ARG 77 -5.028 7.986 -2.123 529 HG3 ARG 77 2HG ARG 77 -3.301 7.671 -2.257 530 HD2 ARG 77 1HD ARG 77 -3.344 8.733 -4.515 531 HD3 ARG 77 2HD ARG 77 -5.037 9.139 -4.246 532 HE ARG 77 HE ARG 77 -3.585 10.157 -2.096 533 HH11 ARG 77 1HH1 ARG 77 -3.874 10.668 -5.550 534 HH12 ARG 77 2HH1 ARG 77 -3.374 12.326 -5.469 535 HH21 ARG 77 1HH2 ARG 77 -2.941 12.326 -1.987 536 HH22 ARG 77 2HH2 ARG 77 -2.854 13.277 -3.437 537 H SER 78 H SER 78 -1.403 7.224 -3.293 538 HA SER 78 HA SER 78 -1.119 8.835 -5.535 539 HB2 SER 78 1HB SER 78 -0.172 9.458 -3.388 540 HB3 SER 78 2HB SER 78 0.920 8.077 -3.425 541 HG SER 78 HG SER 78 0.931 10.216 -5.306 542 H ALA 79 H ALA 79 0.866 5.969 -4.633 543 HA ALA 79 HA ALA 79 2.342 6.120 -7.090 544 HB1 ALA 79 1HB ALA 79 3.343 5.202 -5.048 545 HB2 ALA 79 2HB ALA 79 3.395 4.042 -6.376 546 HB3 ALA 79 3HB ALA 79 2.198 3.860 -5.091 547 H LEU 80 H LEU 80 -0.166 3.898 -5.850 548 HA LEU 80 HA LEU 80 -0.049 2.106 -8.010 549 HB2 LEU 80 1HB LEU 80 -2.090 2.643 -5.881 550 HB3 LEU 80 2HB LEU 80 -2.471 1.538 -7.184 551 HG LEU 80 HG LEU 80 -1.702 0.317 -5.222 552 HD11 LEU 80 1HD1 LEU 80 0.045 -1.032 -6.268 553 HD12 LEU 80 2HD1 LEU 80 0.324 0.238 -7.461 554 HD13 LEU 80 3HD1 LEU 80 -1.219 -0.616 -7.425 555 HD21 LEU 80 1HD2 LEU 80 0.597 0.507 -4.415 556 HD22 LEU 80 2HD2 LEU 80 -0.283 2.020 -4.208 557 HD23 LEU 80 3HD2 LEU 80 0.884 1.852 -5.522 558 H VAL 81 H VAL 81 -2.109 4.930 -7.469 559 HA VAL 81 HA VAL 81 -3.503 4.596 -9.965 560 HB VAL 81 HB VAL 81 -3.341 7.029 -8.162 561 HG11 VAL 81 1HG1 VAL 81 -5.336 7.816 -9.349 562 HG12 VAL 81 2HG1 VAL 81 -5.251 6.423 -10.427 563 HG13 VAL 81 3HG1 VAL 81 -3.969 7.633 -10.448 564 HG21 VAL 81 1HG2 VAL 81 -4.341 5.095 -7.042 565 HG22 VAL 81 2HG2 VAL 81 -5.479 4.899 -8.376 566 HG23 VAL 81 3HG2 VAL 81 -5.552 6.338 -7.358 567 H GLY 82 H GLY 82 -0.515 6.019 -8.909 568 HA2 GLY 82 1HA GLY 82 -0.312 8.028 -10.946 569 HA3 GLY 82 2HA GLY 82 0.987 7.452 -9.911 570 H SER 83 H SER 83 1.075 4.807 -10.498 571 HA SER 83 HA SER 83 2.367 4.768 -13.053 572 HB2 SER 83 1HB SER 83 2.657 2.305 -12.459 573 HB3 SER 83 2HB SER 83 3.336 3.453 -11.303 574 HG SER 83 HG SER 83 2.205 2.061 -10.073 575 H GLY 84 H GLY 84 -0.774 4.033 -11.837 576 HA2 GLY 84 1HA GLY 84 -2.722 3.516 -12.954 577 HA3 GLY 84 2HA GLY 84 -1.830 3.643 -14.466 578 H LEU 85 H LEU 85 -1.313 1.509 -11.681 579 HA LEU 85 HA LEU 85 -1.124 -0.796 -13.414 580 HB2 LEU 85 1HB LEU 85 -1.071 -0.621 -10.394 581 HB3 LEU 85 2HB LEU 85 -0.675 -2.044 -11.339 582 HG LEU 85 HG LEU 85 0.877 0.552 -11.277 583 HD11 LEU 85 1HD1 LEU 85 1.164 -0.791 -9.270 584 HD12 LEU 85 2HD1 LEU 85 2.632 -0.808 -10.245 585 HD13 LEU 85 3HD1 LEU 85 1.554 -2.205 -10.250 586 HD21 LEU 85 1HD2 LEU 85 1.431 -1.984 -12.827 587 HD22 LEU 85 2HD2 LEU 85 2.511 -0.593 -12.700 588 HD23 LEU 85 3HD2 LEU 85 0.954 -0.428 -13.512 589 H VAL 86 H VAL 86 -3.481 0.632 -11.278 590 HA VAL 86 HA VAL 86 -5.441 -1.425 -11.995 591 HB VAL 86 HB VAL 86 -6.235 -1.594 -9.654 592 HG11 VAL 86 1HG1 VAL 86 -4.712 -3.307 -10.500 593 HG12 VAL 86 2HG1 VAL 86 -4.430 -3.011 -8.784 594 HG13 VAL 86 3HG1 VAL 86 -3.324 -2.346 -9.986 595 HG21 VAL 86 1HG2 VAL 86 -4.809 -0.775 -7.813 596 HG22 VAL 86 2HG2 VAL 86 -5.435 0.543 -8.802 597 HG23 VAL 86 3HG2 VAL 86 -3.761 0.018 -8.990 598 H ASP 87 H ASP 87 -7.668 -0.755 -11.377 599 HA ASP 87 HA ASP 87 -8.140 2.013 -12.010 600 HB2 ASP 87 1HB ASP 87 -10.048 -0.215 -11.225 601 HB3 ASP 87 2HB ASP 87 -10.557 1.394 -11.722 602 H ASP 88 H ASP 88 -8.617 -0.089 -9.194 603 HA ASP 88 HA ASP 88 -8.708 2.299 -7.475 604 HB2 ASP 88 1HB ASP 88 -10.557 -0.100 -7.279 605 HB3 ASP 88 2HB ASP 88 -10.438 1.172 -6.072 606 H ILE 89 H ILE 89 -8.084 1.899 -5.274 607 HA ILE 89 HA ILE 89 -6.476 -0.552 -4.899 608 HB ILE 89 HB ILE 89 -5.141 0.619 -3.268 609 HG12 ILE 89 1HG1 ILE 89 -6.791 3.110 -3.782 610 HG13 ILE 89 2HG1 ILE 89 -7.055 2.043 -2.407 611 HG21 ILE 89 1HG2 ILE 89 -4.458 0.878 -5.590 612 HG22 ILE 89 2HG2 ILE 89 -4.068 2.328 -4.666 613 HG23 ILE 89 3HG2 ILE 89 -5.464 2.318 -5.745 614 HD11 ILE 89 1HD1 ILE 89 -5.727 4.005 -1.823 615 HD12 ILE 89 2HD1 ILE 89 -4.501 3.518 -2.994 616 HD13 ILE 89 3HD1 ILE 89 -4.828 2.506 -1.588 617 H ARG 90 H ARG 90 -6.460 -1.364 -2.621 618 HA ARG 90 HA ARG 90 -8.618 -0.442 -0.916 619 HB2 ARG 90 1HB ARG 90 -9.528 -2.211 -2.548 620 HB3 ARG 90 2HB ARG 90 -8.534 -3.362 -1.664 621 HG2 ARG 90 1HG ARG 90 -10.625 -3.558 -0.668 622 HG3 ARG 90 2HG ARG 90 -9.740 -2.499 0.432 623 HD2 ARG 90 1HD ARG 90 -11.936 -1.582 0.120 624 HD3 ARG 90 2HD ARG 90 -10.788 -0.540 -0.720 625 HE ARG 90 HE ARG 90 -11.716 -1.161 -2.743 626 HH11 ARG 90 1HH1 ARG 90 -12.994 -3.177 -0.184 627 HH12 ARG 90 2HH1 ARG 90 -14.231 -3.881 -1.178 628 HH21 ARG 90 1HH2 ARG 90 -13.351 -2.100 -4.067 629 HH22 ARG 90 2HH2 ARG 90 -14.432 -3.273 -3.377 630 H ILE 91 H ILE 91 -7.399 -0.066 0.844 631 HA ILE 91 HA ILE 91 -5.398 -2.024 1.687 632 HB ILE 91 HB ILE 91 -6.080 0.706 2.817 633 HG12 ILE 91 1HG1 ILE 91 -3.735 -0.246 1.146 634 HG13 ILE 91 2HG1 ILE 91 -5.017 0.840 0.618 635 HG21 ILE 91 1HG2 ILE 91 -3.852 -1.197 3.577 636 HG22 ILE 91 2HG2 ILE 91 -5.241 -0.759 4.574 637 HG23 ILE 91 3HG2 ILE 91 -4.032 0.458 4.167 638 HD11 ILE 91 1HD1 ILE 91 -3.014 2.081 1.101 639 HD12 ILE 91 2HD1 ILE 91 -2.947 1.410 2.729 640 HD13 ILE 91 3HD1 ILE 91 -4.264 2.493 2.272 641 H ASN 92 H ASN 92 -5.747 -3.422 3.266 642 HA ASN 92 HA ASN 92 -8.161 -3.154 4.945 643 HB2 ASN 92 1HB ASN 92 -7.918 -5.231 3.532 644 HB3 ASN 92 2HB ASN 92 -6.467 -5.623 4.439 645 HD21 ASN 92 1HD2 ASN 92 -8.726 -6.044 7.452 646 HD22 ASN 92 2HD2 ASN 92 -7.532 -4.874 7.064 647 H TRP 93 H TRP 93 -7.871 -2.783 7.084 648 HA TRP 93 HA TRP 93 -5.120 -2.936 8.127 649 HB2 TRP 93 2HB TRP 93 -7.464 -1.670 9.550 650 HB3 TRP 93 1HB TRP 93 -5.744 -1.358 9.776 651 HD1 TRP 93 1HD TRP 93 -4.528 0.139 7.824 652 HE1 TRP 93 1HE TRP 93 -5.514 1.938 6.261 653 HE3 TRP 93 3HE TRP 93 -9.481 -0.997 8.308 654 HZ2 TRP 93 2HZ TRP 93 -8.063 2.762 5.355 655 HZ3 TRP 93 3HZ TRP 93 -11.130 0.340 7.068 656 HH2 TRP 93 2HH TRP 93 -10.434 2.180 5.623 657 H VAL 94 H VAL 94 -4.757 -4.944 8.910 658 HA VAL 94 HA VAL 94 -6.863 -6.221 10.521 659 HB VAL 94 HB VAL 94 -5.487 -8.301 10.335 660 HG11 VAL 94 1HG1 VAL 94 -6.305 -7.043 7.713 661 HG12 VAL 94 2HG1 VAL 94 -7.368 -7.897 8.831 662 HG13 VAL 94 3HG1 VAL 94 -6.080 -8.771 8.001 663 HG21 VAL 94 1HG2 VAL 94 -3.291 -7.329 9.938 664 HG22 VAL 94 2HG2 VAL 94 -3.840 -6.655 8.403 665 HG23 VAL 94 3HG2 VAL 94 -3.726 -8.405 8.608 666 H TRP 95 H TRP 95 -6.681 -6.266 12.635 667 HA TRP 95 HA TRP 95 -4.121 -5.423 13.831 668 HB2 TRP 95 2HB TRP 95 -6.873 -5.152 15.058 669 HB3 TRP 95 1HB TRP 95 -5.378 -4.385 15.591 670 HD1 TRP 95 1HD TRP 95 -4.271 -2.778 13.382 671 HE1 TRP 95 1HE TRP 95 -5.572 -0.985 12.075 672 HE3 TRP 95 3HE TRP 95 -9.038 -4.337 14.381 673 HZ2 TRP 95 2HZ TRP 95 -8.260 -0.315 11.536 674 HZ3 TRP 95 3HZ TRP 95 -10.919 -3.064 13.431 675 HH2 TRP 95 2HH TRP 95 -10.536 -1.096 12.039 676 H ASN 96 H ASN 96 -6.743 -7.723 13.953 677 HA ASN 96 HA ASN 96 -5.195 -9.737 15.168 678 HB2 ASN 96 1HB ASN 96 -5.615 -8.297 17.196 679 HB3 ASN 96 2HB ASN 96 -7.334 -8.610 17.002 680 HD21 ASN 96 1HD2 ASN 96 -4.897 -11.341 18.706 681 HD22 ASN 96 2HD2 ASN 96 -4.307 -9.852 18.053 682 HA PRO 97 HA PRO 97 -9.779 -11.236 14.549 683 HB2 PRO 97 2HB PRO 97 -11.144 -8.918 13.319 684 HB3 PRO 97 1HB PRO 97 -11.675 -9.955 14.648 685 HG2 PRO 97 2HG PRO 97 -10.909 -7.418 15.074 686 HG3 PRO 97 1HG PRO 97 -10.564 -8.703 16.246 687 HD2 PRO 97 2HD PRO 97 -8.744 -7.484 14.188 688 HD3 PRO 97 1HD PRO 97 -8.417 -7.867 15.894 689 HA PRO 98 HA PRO 98 -9.020 -12.145 10.256 690 HB2 PRO 98 2HB PRO 98 -11.852 -12.986 10.018 691 HB3 PRO 98 1HB PRO 98 -10.375 -13.932 9.795 692 HG2 PRO 98 2HG PRO 98 -11.937 -14.284 11.941 693 HG3 PRO 98 1HG PRO 98 -10.168 -14.389 12.060 694 HD2 PRO 98 2HD PRO 98 -11.986 -12.121 12.819 695 HD3 PRO 98 1HD PRO 98 -10.581 -12.775 13.688 696 H TRP 99 H TRP 99 -9.847 -11.716 8.056 697 HA TRP 99 HA TRP 99 -10.388 -8.989 7.691 698 HB2 TRP 99 2HB TRP 99 -10.714 -11.208 5.656 699 HB3 TRP 99 1HB TRP 99 -10.462 -9.499 5.314 700 HD1 TRP 99 1HD TRP 99 -7.956 -8.522 6.177 701 HE1 TRP 99 1HE TRP 99 -5.684 -9.689 6.049 702 HE3 TRP 99 3HE TRP 99 -9.551 -13.365 5.695 703 HZ2 TRP 99 2HZ TRP 99 -4.675 -12.309 5.793 704 HZ3 TRP 99 3HZ TRP 99 -7.858 -15.145 5.514 705 HH2 TRP 99 2HH TRP 99 -5.470 -14.627 5.562 706 H GLY 100 H GLY 100 -12.209 -7.865 7.107 707 HA2 GLY 100 1HA GLY 100 -14.682 -9.196 6.412 708 HA3 GLY 100 2HA GLY 100 -14.697 -8.469 8.013 709 HA PRO 101 HA PRO 101 -16.163 -4.863 5.702 710 HB2 PRO 101 2HB PRO 101 -16.323 -3.203 7.884 711 HB3 PRO 101 1HB PRO 101 -17.571 -4.382 7.461 712 HG2 PRO 101 2HG PRO 101 -15.346 -4.617 9.467 713 HG3 PRO 101 1HG PRO 101 -17.054 -5.079 9.629 714 HD2 PRO 101 2HD PRO 101 -15.146 -6.903 9.118 715 HD3 PRO 101 1HD PRO 101 -16.768 -7.035 8.405 716 H ASP 102 H ASP 102 -13.424 -5.202 7.740 717 HA ASP 102 HA ASP 102 -12.138 -2.732 7.339 718 HB2 ASP 102 1HB ASP 102 -10.038 -4.237 7.871 719 HB3 ASP 102 2HB ASP 102 -11.246 -3.915 9.110 720 H LYS 103 H LYS 103 -12.797 -5.158 5.098 721 HA LYS 103 HA LYS 103 -10.593 -4.568 3.327 722 HB2 LYS 103 1HB LYS 103 -13.188 -6.072 2.959 723 HB3 LYS 103 2HB LYS 103 -12.119 -5.737 1.608 724 HG2 LYS 103 1HG LYS 103 -11.322 -7.282 4.076 725 HG3 LYS 103 2HG LYS 103 -11.860 -8.009 2.558 726 HD2 LYS 103 1HD LYS 103 -9.964 -6.928 1.392 727 HD3 LYS 103 2HD LYS 103 -9.416 -6.256 2.931 728 HE2 LYS 103 1HE LYS 103 -9.396 -8.727 3.730 729 HE3 LYS 103 2HE LYS 103 -9.426 -9.119 2.011 730 HZ1 LYS 103 1HZ LYS 103 -7.349 -7.595 3.487 731 HZ2 LYS 103 2HZ LYS 103 -7.409 -7.672 1.803 732 HZ3 LYS 103 3HZ LYS 103 -7.165 -9.079 2.700 733 H ILE 104 H ILE 104 -12.888 -2.605 4.412 734 HA ILE 104 HA ILE 104 -13.225 -1.205 1.833 735 HB ILE 104 HB ILE 104 -14.732 -0.814 4.438 736 HG12 ILE 104 1HG1 ILE 104 -15.655 -1.954 1.777 737 HG13 ILE 104 2HG1 ILE 104 -15.329 -2.895 3.229 738 HG21 ILE 104 1HG2 ILE 104 -16.170 0.728 3.134 739 HG22 ILE 104 2HG2 ILE 104 -15.066 0.571 1.768 740 HG23 ILE 104 3HG2 ILE 104 -14.506 1.304 3.271 741 HD11 ILE 104 1HD1 ILE 104 -17.477 -0.812 2.910 742 HD12 ILE 104 2HD1 ILE 104 -17.150 -1.732 4.379 743 HD13 ILE 104 3HD1 ILE 104 -17.706 -2.558 2.924 744 H THR 105 H THR 105 -12.298 0.779 1.555 745 HA THR 105 HA THR 105 -10.253 1.576 3.418 746 HB THR 105 HB THR 105 -9.892 3.425 1.679 747 HG1 THR 105 1HG THR 105 -11.209 3.511 0.003 748 HG21 THR 105 1HG2 THR 105 -9.767 0.562 0.705 749 HG22 THR 105 2HG2 THR 105 -8.564 1.343 1.733 750 HG23 THR 105 3HG2 THR 105 -8.825 1.920 0.087 751 H GLU 106 H GLU 106 -10.064 3.680 4.373 752 HA GLU 106 HA GLU 106 -12.483 4.722 5.457 753 HB2 GLU 106 1HB GLU 106 -10.243 4.823 6.598 754 HB3 GLU 106 2HB GLU 106 -9.742 6.028 5.421 755 HG2 GLU 106 1HG GLU 106 -10.347 7.232 7.345 756 HG3 GLU 106 2HG GLU 106 -11.687 7.441 6.220 757 H ASP 107 H ASP 107 -10.505 5.421 2.700 758 HA ASP 107 HA ASP 107 -11.503 7.886 1.868 759 HB2 ASP 107 1HB ASP 107 -9.666 6.834 0.700 760 HB3 ASP 107 2HB ASP 107 -10.667 5.459 0.253 761 H GLY 108 H GLY 108 -12.942 4.676 1.693 762 HA2 GLY 108 1HA GLY 108 -15.097 5.299 -0.042 763 HA3 GLY 108 2HA GLY 108 -15.041 3.954 1.092 764 H ARG 109 H ARG 109 -14.705 5.466 3.450 765 HA ARG 109 HA ARG 109 -17.310 6.141 4.223 766 HB2 ARG 109 1HB ARG 109 -15.570 5.602 5.844 767 HB3 ARG 109 2HB ARG 109 -14.639 7.009 5.354 768 HG2 ARG 109 1HG ARG 109 -16.426 8.473 6.230 769 HG3 ARG 109 2HG ARG 109 -17.303 7.041 6.776 770 HD2 ARG 109 1HD ARG 109 -15.517 6.444 8.273 771 HD3 ARG 109 2HD ARG 109 -14.490 7.723 7.630 772 HE ARG 109 HE ARG 109 -16.901 8.792 8.697 773 HH11 ARG 109 1HH1 ARG 109 -13.789 7.458 9.642 774 HH12 ARG 109 2HH1 ARG 109 -13.741 8.323 11.149 775 HH21 ARG 109 1HH2 ARG 109 -16.816 9.940 10.670 776 HH22 ARG 109 2HH2 ARG 109 -15.459 9.735 11.729 777 H GLU 110 H GLU 110 -14.710 8.054 2.883 778 HA GLU 110 HA GLU 110 -15.786 10.620 3.387 779 HB2 GLU 110 1HB GLU 110 -13.405 10.221 2.926 780 HB3 GLU 110 2HB GLU 110 -13.802 9.700 1.296 781 HG2 GLU 110 1HG GLU 110 -13.002 11.886 1.081 782 HG3 GLU 110 2HG GLU 110 -14.751 12.016 0.921 783 H GLN 111 H GLN 111 -16.709 8.209 1.187 784 HA GLN 111 HA GLN 111 -17.799 10.213 -0.678 785 HB2 GLN 111 1HB GLN 111 -16.945 7.378 -1.301 786 HB3 GLN 111 2HB GLN 111 -17.536 8.573 -2.453 787 HG2 GLN 111 1HG GLN 111 -15.587 10.026 -1.785 788 HG3 GLN 111 2HG GLN 111 -14.970 8.643 -0.887 789 HE21 GLN 111 1HE2 GLN 111 -13.713 6.966 -3.649 790 HE22 GLN 111 2HE2 GLN 111 -14.028 6.964 -1.953 791 H LEU 112 H LEU 112 -19.831 10.468 -0.022 792 HA LEU 112 HA LEU 112 -21.689 8.342 -0.639 793 HB2 LEU 112 1HB LEU 112 -21.106 8.072 1.831 794 HB3 LEU 112 2HB LEU 112 -21.843 9.640 2.084 795 HG LEU 112 HG LEU 112 -23.996 8.715 1.200 796 HD11 LEU 112 1HD1 LEU 112 -23.073 6.875 -0.115 797 HD12 LEU 112 2HD1 LEU 112 -24.269 6.302 1.043 798 HD13 LEU 112 3HD1 LEU 112 -22.550 6.071 1.364 799 HD21 LEU 112 1HD2 LEU 112 -24.558 7.492 3.236 800 HD22 LEU 112 2HD2 LEU 112 -23.563 8.899 3.605 801 HD23 LEU 112 3HD2 LEU 112 -22.845 7.291 3.604 802 H ARG 113 H ARG 113 -23.879 9.180 -0.811 803 HA ARG 113 HA ARG 113 -23.932 11.640 -2.170 804 HB2 ARG 113 1HB ARG 113 -26.342 11.367 -2.317 805 HB3 ARG 113 2HB ARG 113 -25.563 9.814 -2.579 806 HG2 ARG 113 1HG ARG 113 -26.144 9.073 -0.373 807 HG3 ARG 113 2HG ARG 113 -26.725 10.677 0.066 808 HD2 ARG 113 1HD ARG 113 -28.486 10.458 -1.681 809 HD3 ARG 113 2HD ARG 113 -27.943 8.803 -1.966 810 HE ARG 113 HE ARG 113 -28.424 8.628 0.599 811 HH11 ARG 113 1HH1 ARG 113 -30.325 10.329 -1.804 812 HH12 ARG 113 2HH1 ARG 113 -31.817 10.137 -0.938 813 HH21 ARG 113 1HH2 ARG 113 -30.371 8.404 1.749 814 HH22 ARG 113 2HH2 ARG 113 -31.846 9.026 1.072 815 H ALA 114 H ALA 114 -24.714 10.806 1.147 816 HA ALA 114 HA ALA 114 -26.087 13.194 1.813 817 HB1 ALA 114 1HB ALA 114 -25.862 12.456 4.124 818 HB2 ALA 114 2HB ALA 114 -24.661 11.257 3.641 819 HB3 ALA 114 3HB ALA 114 -26.329 11.107 3.086 820 H LEU 115 H LEU 115 -22.761 12.447 1.456 821 HA LEU 115 HA LEU 115 -21.821 14.566 3.195 822 HB2 LEU 115 1HB LEU 115 -20.651 12.367 2.924 823 HB3 LEU 115 2HB LEU 115 -20.266 12.817 1.277 824 HG LEU 115 HG LEU 115 -19.387 14.703 3.411 825 HD11 LEU 115 1HD1 LEU 115 -18.048 12.032 2.948 826 HD12 LEU 115 2HD1 LEU 115 -18.845 12.558 4.432 827 HD13 LEU 115 3HD1 LEU 115 -17.378 13.369 3.886 828 HD21 LEU 115 1HD2 LEU 115 -17.430 14.897 1.956 829 HD22 LEU 115 2HD2 LEU 115 -18.919 15.147 1.046 830 HD23 LEU 115 3HD2 LEU 115 -18.057 13.612 0.923 831 H GLY 116 H GLY 116 -22.797 14.183 -0.048 832 HA2 GLY 116 1HA GLY 116 -21.283 16.384 -1.146 833 HA3 GLY 116 2HA GLY 116 -22.600 15.520 -1.928 834 H PHE 117 H PHE 117 -21.830 18.020 0.427 835 HA PHE 117 HA PHE 117 -24.471 18.919 0.882 836 HB2 PHE 117 2HB PHE 117 -21.791 20.293 1.166 837 HB3 PHE 117 1HB PHE 117 -23.307 21.077 1.595 838 HD1 PHE 117 1HD PHE 117 -20.949 18.396 2.478 839 HD2 PHE 117 2HD PHE 117 -24.524 20.444 3.570 840 HE1 PHE 117 1HE PHE 117 -20.850 17.376 4.715 841 HE2 PHE 117 2HE PHE 117 -24.424 19.426 5.805 842 HZ PHE 117 HZ PHE 117 -22.590 17.892 6.383 843 H THR 118 H THR 118 -25.794 19.637 -0.644 844 HA THR 118 HA THR 118 -24.944 20.668 -3.150 845 HB THR 118 HB THR 118 -27.683 20.832 -1.864 846 HG1 THR 118 1HG THR 118 -26.275 18.776 -3.166 847 HG21 THR 118 1HG2 THR 118 -26.859 20.949 -4.778 848 HG22 THR 118 2HG2 THR 118 -27.433 22.313 -3.817 849 HG23 THR 118 3HG2 THR 118 -28.515 20.965 -4.169 850 H VAL 119 H VAL 119 -24.875 22.739 -3.919 851 HA VAL 119 HA VAL 119 -25.298 24.912 -1.971 852 HB VAL 119 HB VAL 119 -23.671 26.243 -3.418 853 HG11 VAL 119 1HG1 VAL 119 -21.695 25.317 -2.323 854 HG12 VAL 119 2HG1 VAL 119 -22.577 23.833 -1.965 855 HG13 VAL 119 3HG1 VAL 119 -23.070 25.352 -1.217 856 HG21 VAL 119 1HG2 VAL 119 -23.663 24.847 -5.410 857 HG22 VAL 119 2HG2 VAL 119 -23.020 23.490 -4.487 858 HG23 VAL 119 3HG2 VAL 119 -22.037 24.933 -4.734 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 13.180 -10.246 2.897 2 H2 GLY 1 2H GLY 1 11.574 -10.588 3.290 3 H3 GLY 1 3H GLY 1 11.938 -9.758 1.863 4 HA2 GLY 1 1HA GLY 1 13.064 -11.697 0.978 5 HA3 GLY 1 2HA GLY 1 12.703 -12.560 2.465 6 HA PRO 2 HA PRO 2 8.566 -12.165 0.070 7 HB2 PRO 2 2HB PRO 2 8.566 -11.215 -2.434 8 HB3 PRO 2 1HB PRO 2 8.605 -10.119 -1.046 9 HG2 PRO 2 2HG PRO 2 10.844 -10.998 -2.830 10 HG3 PRO 2 1HG PRO 2 10.506 -9.386 -2.174 11 HD2 PRO 2 2HD PRO 2 12.342 -11.170 -1.112 12 HD3 PRO 2 1HD PRO 2 11.592 -9.841 -0.208 13 H GLY 3 H GLY 3 7.558 -13.789 -1.152 14 HA2 GLY 3 1HA GLY 3 9.329 -15.868 -2.142 15 HA3 GLY 3 2HA GLY 3 7.585 -15.976 -1.946 16 H SER 4 H SER 4 6.326 -15.783 -3.707 17 HA SER 4 HA SER 4 7.607 -15.318 -6.282 18 HB2 SER 4 1HB SER 4 4.718 -16.035 -5.693 19 HB3 SER 4 2HB SER 4 5.552 -16.174 -7.243 20 HG SER 4 HG SER 4 7.031 -17.550 -5.649 21 H MET 5 H MET 5 5.211 -13.870 -4.153 22 HA MET 5 HA MET 5 4.325 -11.880 -5.983 23 HB2 MET 5 1HB MET 5 4.178 -11.955 -2.955 24 HB3 MET 5 2HB MET 5 3.359 -10.774 -3.968 25 HG2 MET 5 1HG MET 5 2.883 -13.748 -3.972 26 HG3 MET 5 2HG MET 5 1.834 -12.521 -3.262 27 HE1 MET 5 1HE MET 5 -0.245 -13.508 -4.621 28 HE2 MET 5 2HE MET 5 0.809 -14.739 -5.313 29 HE3 MET 5 3HE MET 5 -0.227 -13.775 -6.364 30 H SER 6 H SER 6 5.827 -10.609 -6.847 31 HA SER 6 HA SER 6 7.277 -8.773 -5.126 32 HB2 SER 6 1HB SER 6 9.425 -9.210 -6.345 33 HB3 SER 6 2HB SER 6 8.890 -10.584 -5.380 34 HG SER 6 HG SER 6 8.070 -11.525 -7.289 35 H GLU 7 H GLU 7 8.882 -7.713 -7.236 36 HA GLU 7 HA GLU 7 7.071 -5.967 -8.458 37 HB2 GLU 7 1HB GLU 7 9.904 -6.592 -9.337 38 HB3 GLU 7 2HB GLU 7 8.969 -5.182 -9.803 39 HG2 GLU 7 1HG GLU 7 10.345 -4.336 -8.161 40 HG3 GLU 7 2HG GLU 7 8.876 -4.691 -7.256 41 H THR 8 H THR 8 5.478 -7.253 -9.467 42 HA THR 8 HA THR 8 6.200 -7.993 -12.203 43 HB THR 8 HB THR 8 4.553 -9.808 -10.408 44 HG1 THR 8 1HG THR 8 7.188 -9.656 -10.741 45 HG21 THR 8 1HG2 THR 8 3.745 -9.839 -12.718 46 HG22 THR 8 2HG2 THR 8 4.565 -11.352 -12.335 47 HG23 THR 8 3HG2 THR 8 5.385 -10.128 -13.305 48 H SER 9 H SER 9 5.195 -6.047 -12.756 49 HA SER 9 HA SER 9 2.452 -6.206 -13.410 50 HB2 SER 9 1HB SER 9 1.711 -4.222 -12.007 51 HB3 SER 9 2HB SER 9 2.004 -5.701 -11.092 52 HG SER 9 HG SER 9 3.840 -3.550 -11.391 53 H ALA 10 H ALA 10 2.251 -5.034 -15.234 54 HA ALA 10 HA ALA 10 2.587 -3.486 -16.861 55 HB1 ALA 10 1HB ALA 10 4.176 -1.931 -14.806 56 HB2 ALA 10 2HB ALA 10 2.434 -1.805 -15.052 57 HB3 ALA 10 3HB ALA 10 3.540 -1.314 -16.333 58 HA PRO 11 HA PRO 11 6.387 -4.552 -18.907 59 HB2 PRO 11 2HB PRO 11 7.198 -2.094 -19.957 60 HB3 PRO 11 1HB PRO 11 6.066 -3.211 -20.724 61 HG2 PRO 11 2HG PRO 11 5.508 -0.782 -19.070 62 HG3 PRO 11 1HG PRO 11 4.681 -1.362 -20.528 63 HD2 PRO 11 2HD PRO 11 3.598 -1.703 -18.109 64 HD3 PRO 11 1HD PRO 11 3.469 -2.972 -19.346 65 H ALA 12 H ALA 12 8.661 -4.426 -18.719 66 HA ALA 12 HA ALA 12 9.602 -4.159 -16.149 67 HB1 ALA 12 1HB ALA 12 11.846 -4.397 -17.079 68 HB2 ALA 12 2HB ALA 12 11.236 -3.987 -18.683 69 HB3 ALA 12 3HB ALA 12 10.709 -5.472 -17.893 70 H GLU 13 H GLU 13 9.665 -1.747 -18.716 71 HA GLU 13 HA GLU 13 11.449 0.055 -17.429 72 HB2 GLU 13 1HB GLU 13 9.360 0.680 -19.533 73 HB3 GLU 13 2HB GLU 13 10.735 1.685 -19.104 74 HG2 GLU 13 1HG GLU 13 11.283 0.612 -21.134 75 HG3 GLU 13 2HG GLU 13 12.228 -0.180 -19.877 76 H GLU 14 H GLU 14 7.919 0.017 -17.791 77 HA GLU 14 HA GLU 14 7.422 2.360 -16.287 78 HB2 GLU 14 1HB GLU 14 5.872 1.355 -17.966 79 HB3 GLU 14 2HB GLU 14 5.562 0.034 -16.850 80 HG2 GLU 14 1HG GLU 14 4.534 1.532 -15.275 81 HG3 GLU 14 2HG GLU 14 4.974 2.929 -16.258 82 H LEU 15 H LEU 15 7.261 -1.079 -15.503 83 HA LEU 15 HA LEU 15 6.411 -0.971 -12.867 84 HB2 LEU 15 1HB LEU 15 6.561 -3.038 -14.149 85 HB3 LEU 15 2HB LEU 15 8.302 -2.902 -14.234 86 HG LEU 15 HG LEU 15 7.297 -4.620 -12.610 87 HD11 LEU 15 1HD1 LEU 15 9.299 -2.643 -11.527 88 HD12 LEU 15 2HD1 LEU 15 9.659 -3.996 -12.602 89 HD13 LEU 15 3HD1 LEU 15 9.057 -4.298 -10.973 90 HD21 LEU 15 1HD2 LEU 15 6.686 -3.810 -10.398 91 HD22 LEU 15 2HD2 LEU 15 5.593 -3.163 -11.621 92 HD23 LEU 15 3HD2 LEU 15 6.861 -2.141 -10.940 93 H LEU 16 H LEU 16 9.705 -0.900 -14.168 94 HA LEU 16 HA LEU 16 11.134 -0.919 -11.798 95 HB2 LEU 16 1HB LEU 16 12.106 -1.118 -14.067 96 HB3 LEU 16 2HB LEU 16 11.813 0.592 -14.324 97 HG LEU 16 HG LEU 16 13.363 1.100 -12.435 98 HD11 LEU 16 1HD1 LEU 16 13.949 -1.862 -12.545 99 HD12 LEU 16 2HD1 LEU 16 13.171 -1.003 -11.214 100 HD13 LEU 16 3HD1 LEU 16 14.853 -0.663 -11.619 101 HD21 LEU 16 1HD2 LEU 16 14.128 1.171 -14.756 102 HD22 LEU 16 2HD2 LEU 16 14.549 -0.542 -14.676 103 HD23 LEU 16 3HD2 LEU 16 15.410 0.628 -13.675 104 H ALA 17 H ALA 17 10.063 1.924 -13.660 105 HA ALA 17 HA ALA 17 11.052 3.875 -11.897 106 HB1 ALA 17 1HB ALA 17 9.575 5.430 -13.077 107 HB2 ALA 17 2HB ALA 17 8.713 4.073 -13.804 108 HB3 ALA 17 3HB ALA 17 10.405 4.362 -14.209 109 H ASP 18 H ASP 18 7.807 2.444 -12.181 110 HA ASP 18 HA ASP 18 6.567 4.078 -10.260 111 HB2 ASP 18 1HB ASP 18 5.362 2.703 -11.959 112 HB3 ASP 18 2HB ASP 18 5.774 1.258 -11.043 113 H VAL 19 H VAL 19 7.954 0.810 -9.963 114 HA VAL 19 HA VAL 19 7.325 0.582 -7.201 115 HB VAL 19 HB VAL 19 7.796 -1.377 -8.749 116 HG11 VAL 19 1HG1 VAL 19 10.089 -2.120 -9.017 117 HG12 VAL 19 2HG1 VAL 19 10.680 -0.697 -8.154 118 HG13 VAL 19 3HG1 VAL 19 9.890 -0.516 -9.724 119 HG21 VAL 19 1HG2 VAL 19 8.777 -2.746 -6.966 120 HG22 VAL 19 2HG2 VAL 19 7.557 -1.643 -6.334 121 HG23 VAL 19 3HG2 VAL 19 9.269 -1.284 -6.108 122 H GLU 20 H GLU 20 10.083 1.821 -8.997 123 HA GLU 20 HA GLU 20 11.909 1.994 -6.857 124 HB2 GLU 20 1HB GLU 20 12.474 2.301 -9.279 125 HB3 GLU 20 2HB GLU 20 11.685 3.870 -9.228 126 HG2 GLU 20 1HG GLU 20 14.104 4.080 -9.065 127 HG3 GLU 20 2HG GLU 20 13.313 4.662 -7.603 128 H GLU 21 H GLU 21 9.436 4.243 -8.062 129 HA GLU 21 HA GLU 21 9.887 6.230 -6.076 130 HB2 GLU 21 1HB GLU 21 7.469 5.621 -7.782 131 HB3 GLU 21 2HB GLU 21 7.557 6.991 -6.683 132 HG2 GLU 21 1HG GLU 21 9.630 7.708 -7.951 133 HG3 GLU 21 2HG GLU 21 9.198 6.491 -9.154 134 H ALA 22 H ALA 22 7.640 3.488 -6.304 135 HA ALA 22 HA ALA 22 6.195 3.896 -3.966 136 HB1 ALA 22 1HB ALA 22 5.707 1.502 -4.016 137 HB2 ALA 22 2HB ALA 22 7.027 1.248 -5.160 138 HB3 ALA 22 3HB ALA 22 5.617 2.194 -5.637 139 H MET 23 H MET 23 9.259 2.217 -4.453 140 HA MET 23 HA MET 23 9.640 1.265 -1.841 141 HB2 MET 23 1HB MET 23 11.613 1.918 -4.036 142 HB3 MET 23 2HB MET 23 12.077 1.156 -2.522 143 HG2 MET 23 1HG MET 23 10.057 0.012 -4.439 144 HG3 MET 23 2HG MET 23 11.765 -0.420 -4.429 145 HE1 MET 23 1HE MET 23 9.471 -2.609 -4.208 146 HE2 MET 23 2HE MET 23 10.110 -3.628 -2.917 147 HE3 MET 23 3HE MET 23 11.192 -2.992 -4.155 148 H ARG 24 H ARG 24 9.765 4.423 -3.038 149 HA ARG 24 HA ARG 24 11.559 5.475 -0.993 150 HB2 ARG 24 1HB ARG 24 11.657 6.534 -3.141 151 HB3 ARG 24 2HB ARG 24 9.910 6.693 -3.218 152 HG2 ARG 24 1HG ARG 24 10.179 8.243 -1.167 153 HG3 ARG 24 2HG ARG 24 11.880 8.310 -1.639 154 HD2 ARG 24 1HD ARG 24 10.569 10.164 -2.608 155 HD3 ARG 24 2HD ARG 24 11.258 9.117 -3.853 156 HE ARG 24 HE ARG 24 8.508 8.588 -2.991 157 HH11 ARG 24 1HH1 ARG 24 10.661 9.864 -5.455 158 HH12 ARG 24 2HH1 ARG 24 9.434 9.877 -6.684 159 HH21 ARG 24 1HH2 ARG 24 6.930 8.560 -4.600 160 HH22 ARG 24 2HH2 ARG 24 7.311 9.116 -6.209 161 H ASP 25 H ASP 25 8.133 5.074 -1.597 162 HA ASP 25 HA ASP 25 7.452 6.955 0.555 163 HB2 ASP 25 1HB ASP 25 5.846 5.808 -1.730 164 HB3 ASP 25 2HB ASP 25 5.084 6.664 -0.392 165 H VAL 26 H VAL 26 7.342 3.563 -0.238 166 HA VAL 26 HA VAL 26 5.438 2.943 1.871 167 HB VAL 26 HB VAL 26 5.676 0.619 1.229 168 HG11 VAL 26 1HG1 VAL 26 4.180 1.986 -0.118 169 HG12 VAL 26 2HG1 VAL 26 4.938 0.741 -1.111 170 HG13 VAL 26 3HG1 VAL 26 5.509 2.407 -1.199 171 HG21 VAL 26 1HG2 VAL 26 7.207 -0.096 -0.560 172 HG22 VAL 26 2HG2 VAL 26 8.082 0.538 0.834 173 HG23 VAL 26 3HG2 VAL 26 7.895 1.528 -0.614 174 H VAL 27 H VAL 27 8.519 3.847 1.955 175 HA VAL 27 HA VAL 27 9.146 2.212 4.327 176 HB VAL 27 HB VAL 27 10.629 1.701 2.343 177 HG11 VAL 27 1HG1 VAL 27 12.335 3.352 1.704 178 HG12 VAL 27 2HG1 VAL 27 11.571 4.549 2.751 179 HG13 VAL 27 3HG1 VAL 27 10.706 3.924 1.346 180 HG21 VAL 27 1HG2 VAL 27 12.729 1.782 3.592 181 HG22 VAL 27 2HG2 VAL 27 11.395 1.296 4.636 182 HG23 VAL 27 3HG2 VAL 27 12.026 2.941 4.721 183 H ASP 28 H ASP 28 10.359 3.380 5.977 184 HA ASP 28 HA ASP 28 10.023 6.298 5.819 185 HB2 ASP 28 1HB ASP 28 9.083 5.156 7.821 186 HB3 ASP 28 2HB ASP 28 10.696 4.577 8.228 187 HA PRO 29 HA PRO 29 14.474 5.840 5.010 188 HB2 PRO 29 2HB PRO 29 14.724 7.834 3.244 189 HB3 PRO 29 1HB PRO 29 13.914 6.330 2.801 190 HG2 PRO 29 2HG PRO 29 12.714 8.965 3.569 191 HG3 PRO 29 1HG PRO 29 12.237 7.851 2.276 192 HD2 PRO 29 2HD PRO 29 11.021 7.993 4.763 193 HD3 PRO 29 1HD PRO 29 10.960 6.584 3.687 194 H GLU 30 H GLU 30 12.638 8.183 6.566 195 HA GLU 30 HA GLU 30 14.590 10.193 7.038 196 HB2 GLU 30 1HB GLU 30 12.153 10.567 7.250 197 HB3 GLU 30 2HB GLU 30 12.113 9.484 8.633 198 HG2 GLU 30 1HG GLU 30 12.071 11.814 9.325 199 HG3 GLU 30 2HG GLU 30 13.529 11.003 9.895 200 H LEU 31 H LEU 31 13.264 7.670 9.203 201 HA LEU 31 HA LEU 31 15.685 7.809 10.848 202 HB2 LEU 31 1HB LEU 31 13.084 6.309 11.234 203 HB3 LEU 31 2HB LEU 31 14.448 6.188 12.324 204 HG LEU 31 HG LEU 31 12.873 7.662 13.322 205 HD11 LEU 31 1HD1 LEU 31 15.051 9.356 12.103 206 HD12 LEU 31 2HD1 LEU 31 15.213 8.336 13.533 207 HD13 LEU 31 3HD1 LEU 31 14.124 9.722 13.559 208 HD21 LEU 31 1HD2 LEU 31 11.970 9.641 12.248 209 HD22 LEU 31 2HD2 LEU 31 11.574 8.204 11.307 210 HD23 LEU 31 3HD2 LEU 31 12.865 9.279 10.774 211 H GLY 32 H GLY 32 14.224 5.929 8.382 212 HA2 GLY 32 1HA GLY 32 15.404 4.457 7.005 213 HA3 GLY 32 2HA GLY 32 16.644 4.318 8.239 214 H ILE 33 H ILE 33 13.117 3.694 8.308 215 HA ILE 33 HA ILE 33 13.744 0.871 8.891 216 HB ILE 33 HB ILE 33 11.826 0.721 10.436 217 HG12 ILE 33 1HG1 ILE 33 10.688 2.846 9.519 218 HG13 ILE 33 2HG1 ILE 33 10.618 2.578 11.256 219 HG21 ILE 33 1HG2 ILE 33 14.049 0.948 11.348 220 HG22 ILE 33 2HG2 ILE 33 12.899 1.820 12.359 221 HG23 ILE 33 3HG2 ILE 33 13.945 2.706 11.252 222 HD11 ILE 33 1HD1 ILE 33 12.403 4.188 11.592 223 HD12 ILE 33 2HD1 ILE 33 11.061 4.907 10.704 224 HD13 ILE 33 3HD1 ILE 33 12.529 4.433 9.851 225 H ASN 34 H ASN 34 12.273 -0.654 8.139 226 HA ASN 34 HA ASN 34 10.570 0.362 5.959 227 HB2 ASN 34 1HB ASN 34 11.065 -1.794 4.814 228 HB3 ASN 34 2HB ASN 34 12.491 -0.803 5.087 229 HD21 ASN 34 1HD2 ASN 34 13.076 -4.416 5.967 230 HD22 ASN 34 2HD2 ASN 34 12.357 -3.639 4.600 231 H VAL 35 H VAL 35 8.524 0.292 6.581 232 HA VAL 35 HA VAL 35 7.366 -1.339 8.520 233 HB VAL 35 HB VAL 35 5.982 -0.133 6.105 234 HG11 VAL 35 1HG1 VAL 35 4.878 -0.979 8.791 235 HG12 VAL 35 2HG1 VAL 35 4.580 -1.775 7.246 236 HG13 VAL 35 3HG1 VAL 35 3.971 -0.145 7.528 237 HG21 VAL 35 1HG2 VAL 35 7.243 1.564 7.329 238 HG22 VAL 35 2HG2 VAL 35 6.488 1.057 8.840 239 HG23 VAL 35 3HG2 VAL 35 5.508 1.789 7.569 240 H VAL 36 H VAL 36 7.980 -1.929 5.137 241 HA VAL 36 HA VAL 36 6.259 -4.038 4.604 242 HB VAL 36 HB VAL 36 7.609 -2.909 2.880 243 HG11 VAL 36 1HG1 VAL 36 9.964 -3.486 2.544 244 HG12 VAL 36 2HG1 VAL 36 9.944 -4.460 4.014 245 HG13 VAL 36 3HG1 VAL 36 9.714 -2.715 4.108 246 HG21 VAL 36 1HG2 VAL 36 8.052 -5.899 2.977 247 HG22 VAL 36 2HG2 VAL 36 8.156 -4.887 1.534 248 HG23 VAL 36 3HG2 VAL 36 6.614 -5.076 2.368 249 H ASP 37 H ASP 37 9.101 -3.974 6.591 250 HA ASP 37 HA ASP 37 9.882 -6.675 6.431 251 HB2 ASP 37 1HB ASP 37 11.333 -4.961 7.400 252 HB3 ASP 37 2HB ASP 37 10.199 -4.724 8.727 253 H LEU 38 H LEU 38 7.224 -5.168 8.059 254 HA LEU 38 HA LEU 38 6.715 -7.080 10.065 255 HB2 LEU 38 1HB LEU 38 4.739 -5.396 8.508 256 HB3 LEU 38 2HB LEU 38 4.382 -6.253 9.998 257 HG LEU 38 HG LEU 38 6.341 -3.965 9.707 258 HD11 LEU 38 1HD1 LEU 38 3.640 -4.060 11.049 259 HD12 LEU 38 2HD1 LEU 38 4.000 -3.265 9.515 260 HD13 LEU 38 3HD1 LEU 38 4.739 -2.680 11.005 261 HD21 LEU 38 1HD2 LEU 38 7.064 -5.528 11.428 262 HD22 LEU 38 2HD2 LEU 38 5.460 -5.486 12.162 263 HD23 LEU 38 3HD2 LEU 38 6.467 -4.038 12.158 264 H GLY 39 H GLY 39 6.293 -7.140 6.656 265 HA2 GLY 39 1HA GLY 39 5.751 -8.803 5.195 266 HA3 GLY 39 2HA GLY 39 6.036 -9.919 6.517 267 H LEU 40 H LEU 40 3.554 -7.557 7.004 268 HA LEU 40 HA LEU 40 1.512 -9.609 6.532 269 HB2 LEU 40 1HB LEU 40 1.436 -8.412 8.675 270 HB3 LEU 40 2HB LEU 40 1.283 -6.883 7.825 271 HG LEU 40 HG LEU 40 -0.907 -7.603 6.932 272 HD11 LEU 40 1HD1 LEU 40 -0.547 -10.038 8.683 273 HD12 LEU 40 2HD1 LEU 40 -0.514 -10.022 6.918 274 HD13 LEU 40 3HD1 LEU 40 -2.000 -9.608 7.775 275 HD21 LEU 40 1HD2 LEU 40 -0.682 -7.810 9.936 276 HD22 LEU 40 2HD2 LEU 40 -2.158 -7.470 9.031 277 HD23 LEU 40 3HD2 LEU 40 -0.822 -6.319 9.003 278 H VAL 41 H VAL 41 2.631 -6.511 5.402 279 HA VAL 41 HA VAL 41 0.495 -5.831 3.696 280 HB VAL 41 HB VAL 41 2.263 -4.237 4.375 281 HG11 VAL 41 1HG1 VAL 41 4.456 -4.267 3.271 282 HG12 VAL 41 2HG1 VAL 41 4.045 -5.798 2.500 283 HG13 VAL 41 3HG1 VAL 41 4.198 -5.709 4.255 284 HG21 VAL 41 1HG2 VAL 41 2.029 -4.585 1.381 285 HG22 VAL 41 2HG2 VAL 41 2.550 -3.115 2.204 286 HG23 VAL 41 3HG2 VAL 41 0.904 -3.710 2.421 287 H TYR 42 H TYR 42 2.813 -8.272 3.545 288 HA TYR 42 HA TYR 42 3.120 -8.639 0.763 289 HB2 TYR 42 2HB TYR 42 4.570 -9.633 2.556 290 HB3 TYR 42 1HB TYR 42 3.249 -10.716 2.971 291 HD1 TYR 42 1HD TYR 42 3.074 -12.794 1.902 292 HD2 TYR 42 2HD TYR 42 5.465 -9.742 0.135 293 HE1 TYR 42 1HE TYR 42 3.902 -14.405 0.241 294 HE2 TYR 42 2HE TYR 42 6.292 -11.348 -1.527 295 HH TYR 42 HH TYR 42 4.901 -14.468 -1.926 296 H GLY 43 H GLY 43 0.504 -9.179 2.903 297 HA2 GLY 43 1HA GLY 43 -0.807 -11.248 1.371 298 HA3 GLY 43 2HA GLY 43 -1.484 -10.350 2.723 299 H LEU 44 H LEU 44 -0.362 -9.675 -0.590 300 HA LEU 44 HA LEU 44 -2.646 -7.862 -0.930 301 HB2 LEU 44 1HB LEU 44 -1.348 -7.161 -3.023 302 HB3 LEU 44 2HB LEU 44 -0.706 -6.691 -1.464 303 HG LEU 44 HG LEU 44 0.856 -8.718 -1.656 304 HD11 LEU 44 1HD1 LEU 44 -0.280 -9.921 -3.423 305 HD12 LEU 44 2HD1 LEU 44 1.351 -9.487 -3.932 306 HD13 LEU 44 3HD1 LEU 44 -0.034 -8.575 -4.537 307 HD21 LEU 44 1HD2 LEU 44 1.142 -6.415 -3.592 308 HD22 LEU 44 2HD2 LEU 44 2.446 -7.485 -3.078 309 HD23 LEU 44 3HD2 LEU 44 1.648 -6.440 -1.903 310 H ASP 45 H ASP 45 -4.015 -8.017 -2.732 311 HA ASP 45 HA ASP 45 -3.803 -10.176 -4.611 312 HB2 ASP 45 1HB ASP 45 -4.647 -11.457 -2.721 313 HB3 ASP 45 2HB ASP 45 -5.928 -10.282 -2.449 314 H VAL 46 H VAL 46 -4.348 -9.097 -6.389 315 HA VAL 46 HA VAL 46 -6.364 -6.987 -6.244 316 HB VAL 46 HB VAL 46 -4.334 -6.345 -7.373 317 HG11 VAL 46 1HG1 VAL 46 -3.490 -7.438 -9.365 318 HG12 VAL 46 2HG1 VAL 46 -4.797 -8.621 -9.301 319 HG13 VAL 46 3HG1 VAL 46 -3.572 -8.591 -8.032 320 HG21 VAL 46 1HG2 VAL 46 -6.410 -5.419 -8.269 321 HG22 VAL 46 2HG2 VAL 46 -6.541 -6.772 -9.393 322 HG23 VAL 46 3HG2 VAL 46 -5.211 -5.624 -9.545 323 H GLN 47 H GLN 47 -8.386 -7.348 -6.784 324 HA GLN 47 HA GLN 47 -9.051 -9.751 -8.350 325 HB2 GLN 47 1HB GLN 47 -10.590 -8.263 -6.211 326 HB3 GLN 47 2HB GLN 47 -11.323 -9.496 -7.233 327 HG2 GLN 47 1HG GLN 47 -9.810 -11.173 -6.379 328 HG3 GLN 47 2HG GLN 47 -8.928 -9.954 -5.458 329 HE21 GLN 47 1HE2 GLN 47 -10.831 -11.082 -2.752 330 HE22 GLN 47 2HE2 GLN 47 -9.294 -11.110 -3.549 331 H ASP 48 H ASP 48 -9.981 -9.511 -10.250 332 HA ASP 48 HA ASP 48 -10.512 -6.860 -11.280 333 HB2 ASP 48 1HB ASP 48 -10.692 -9.595 -12.576 334 HB3 ASP 48 2HB ASP 48 -10.981 -8.078 -13.421 335 H GLY 49 H GLY 49 -12.468 -5.995 -11.727 336 HA2 GLY 49 1HA GLY 49 -14.864 -7.694 -11.506 337 HA3 GLY 49 2HA GLY 49 -14.774 -6.169 -10.628 338 H ASP 50 H ASP 50 -16.680 -6.904 -12.673 339 HA ASP 50 HA ASP 50 -16.092 -5.854 -15.196 340 HB2 ASP 50 1HB ASP 50 -18.731 -5.992 -13.717 341 HB3 ASP 50 2HB ASP 50 -18.584 -5.536 -15.410 342 H GLU 51 H GLU 51 -17.176 -4.298 -12.252 343 HA GLU 51 HA GLU 51 -17.613 -1.742 -13.494 344 HB2 GLU 51 1HB GLU 51 -17.334 -2.336 -10.538 345 HB3 GLU 51 2HB GLU 51 -18.113 -0.943 -11.276 346 HG2 GLU 51 1HG GLU 51 -19.067 -3.802 -11.286 347 HG3 GLU 51 2HG GLU 51 -19.815 -2.417 -10.493 348 H GLY 52 H GLY 52 -14.937 -3.413 -12.066 349 HA2 GLY 52 1HA GLY 52 -12.957 -1.745 -12.997 350 HA3 GLY 52 2HA GLY 52 -13.360 -1.121 -11.404 351 H THR 53 H THR 53 -10.844 -2.184 -12.162 352 HA THR 53 HA THR 53 -10.651 -4.759 -10.791 353 HB THR 53 HB THR 53 -8.507 -3.099 -12.151 354 HG1 THR 53 1HG THR 53 -9.265 -5.539 -13.241 355 HG21 THR 53 1HG2 THR 53 -8.430 -5.943 -11.121 356 HG22 THR 53 2HG2 THR 53 -7.555 -4.565 -10.450 357 HG23 THR 53 3HG2 THR 53 -7.157 -5.163 -12.062 358 H VAL 54 H VAL 54 -10.334 -4.786 -8.640 359 HA VAL 54 HA VAL 54 -9.186 -2.385 -7.364 360 HB VAL 54 HB VAL 54 -11.494 -2.840 -6.678 361 HG11 VAL 54 1HG1 VAL 54 -10.459 -5.495 -5.668 362 HG12 VAL 54 2HG1 VAL 54 -11.553 -5.257 -7.031 363 HG13 VAL 54 3HG1 VAL 54 -12.077 -4.850 -5.397 364 HG21 VAL 54 1HG2 VAL 54 -11.152 -2.854 -4.238 365 HG22 VAL 54 2HG2 VAL 54 -9.999 -1.799 -5.057 366 HG23 VAL 54 3HG2 VAL 54 -9.488 -3.386 -4.479 367 H ALA 55 H ALA 55 -7.400 -2.546 -6.116 368 HA ALA 55 HA ALA 55 -6.105 -5.188 -5.918 369 HB1 ALA 55 1HB ALA 55 -4.949 -2.415 -5.563 370 HB2 ALA 55 2HB ALA 55 -4.814 -3.421 -7.004 371 HB3 ALA 55 3HB ALA 55 -4.043 -3.926 -5.502 372 H LEU 56 H LEU 56 -6.556 -6.206 -4.036 373 HA LEU 56 HA LEU 56 -7.099 -4.720 -1.599 374 HB2 LEU 56 1HB LEU 56 -6.856 -7.715 -1.963 375 HB3 LEU 56 2HB LEU 56 -7.581 -6.876 -0.602 376 HG LEU 56 HG LEU 56 -8.656 -6.981 -3.423 377 HD11 LEU 56 1HD1 LEU 56 -9.657 -8.211 -0.857 378 HD12 LEU 56 2HD1 LEU 56 -8.962 -9.067 -2.235 379 HD13 LEU 56 3HD1 LEU 56 -10.507 -8.232 -2.402 380 HD21 LEU 56 1HD2 LEU 56 -10.601 -5.775 -2.546 381 HD22 LEU 56 2HD2 LEU 56 -9.131 -4.812 -2.412 382 HD23 LEU 56 3HD2 LEU 56 -9.797 -5.606 -0.985 383 H ILE 57 H ILE 57 -5.746 -4.510 0.108 384 HA ILE 57 HA ILE 57 -3.203 -5.991 0.124 385 HB ILE 57 HB ILE 57 -3.453 -3.011 0.660 386 HG12 ILE 57 1HG1 ILE 57 -2.066 -4.478 -1.607 387 HG13 ILE 57 2HG1 ILE 57 -3.555 -3.550 -1.748 388 HG21 ILE 57 1HG2 ILE 57 -1.808 -4.080 2.116 389 HG22 ILE 57 2HG2 ILE 57 -1.015 -3.052 0.925 390 HG23 ILE 57 3HG2 ILE 57 -1.018 -4.802 0.713 391 HD11 ILE 57 1HD1 ILE 57 -2.335 -1.516 -1.147 392 HD12 ILE 57 2HD1 ILE 57 -1.659 -2.294 -2.577 393 HD13 ILE 57 3HD1 ILE 57 -0.845 -2.452 -1.022 394 H ASP 58 H ASP 58 -3.070 -7.061 1.981 395 HA ASP 58 HA ASP 58 -4.779 -6.369 4.219 396 HB2 ASP 58 1HB ASP 58 -4.515 -8.723 3.517 397 HB3 ASP 58 2HB ASP 58 -2.797 -8.640 3.893 398 H MET 59 H MET 59 -4.157 -4.981 5.738 399 HA MET 59 HA MET 59 -1.383 -5.006 6.678 400 HB2 MET 59 1HB MET 59 -2.834 -2.511 5.766 401 HB3 MET 59 2HB MET 59 -1.343 -2.501 6.697 402 HG2 MET 59 1HG MET 59 -0.242 -3.741 4.850 403 HG3 MET 59 2HG MET 59 -1.729 -3.587 3.915 404 HE1 MET 59 1HE MET 59 1.235 -1.682 5.631 405 HE2 MET 59 2HE MET 59 -0.158 -0.880 6.359 406 HE3 MET 59 3HE MET 59 0.874 -0.002 5.230 407 H THR 60 H THR 60 -1.133 -3.619 8.653 408 HA THR 60 HA THR 60 -3.546 -2.984 10.136 409 HB THR 60 HB THR 60 -2.995 -5.368 10.773 410 HG1 THR 60 1HG THR 60 -3.781 -4.846 12.668 411 HG21 THR 60 1HG2 THR 60 -0.528 -4.115 12.004 412 HG22 THR 60 2HG2 THR 60 -0.533 -5.184 10.602 413 HG23 THR 60 3HG2 THR 60 -1.046 -5.795 12.175 414 H LEU 61 H LEU 61 -2.715 -2.048 12.390 415 HA LEU 61 HA LEU 61 -0.311 -0.423 11.836 416 HB2 LEU 61 1HB LEU 61 -2.755 0.500 13.363 417 HB3 LEU 61 2HB LEU 61 -1.342 1.460 12.966 418 HG LEU 61 HG LEU 61 -3.329 0.361 10.962 419 HD11 LEU 61 1HD1 LEU 61 -4.278 2.169 12.276 420 HD12 LEU 61 2HD1 LEU 61 -3.976 2.690 10.617 421 HD13 LEU 61 3HD1 LEU 61 -2.885 3.187 11.914 422 HD21 LEU 61 1HD2 LEU 61 -1.095 0.479 9.996 423 HD22 LEU 61 2HD2 LEU 61 -0.926 2.149 10.541 424 HD23 LEU 61 3HD2 LEU 61 -2.125 1.737 9.313 425 H THR 62 H THR 62 0.998 0.063 13.609 426 HA THR 62 HA THR 62 1.560 -2.094 15.225 427 HB THR 62 HB THR 62 3.037 -0.497 16.497 428 HG1 THR 62 1HG THR 62 2.764 1.598 16.249 429 HG21 THR 62 1HG2 THR 62 4.488 0.028 14.580 430 HG22 THR 62 2HG2 THR 62 3.158 -0.323 13.476 431 HG23 THR 62 3HG2 THR 62 3.846 -1.610 14.466 432 H SER 63 H SER 63 0.066 0.977 16.256 433 HA SER 63 HA SER 63 -0.526 -0.229 18.868 434 HB2 SER 63 1HB SER 63 -0.705 2.683 18.033 435 HB3 SER 63 2HB SER 63 -0.795 2.047 19.677 436 HG SER 63 HG SER 63 1.338 1.545 19.614 437 H ALA 64 H ALA 64 -2.007 0.208 15.960 438 HA ALA 64 HA ALA 64 -4.135 0.173 15.176 439 HB1 ALA 64 1HB ALA 64 -4.243 -1.856 16.538 440 HB2 ALA 64 2HB ALA 64 -5.799 -1.027 16.510 441 HB3 ALA 64 3HB ALA 64 -4.760 -0.903 17.931 442 H ALA 65 H ALA 65 -3.186 2.453 17.189 443 HA ALA 65 HA ALA 65 -5.826 3.761 17.346 444 HB1 ALA 65 1HB ALA 65 -5.022 4.988 19.291 445 HB2 ALA 65 2HB ALA 65 -3.454 4.187 19.172 446 HB3 ALA 65 3HB ALA 65 -4.895 3.250 19.568 447 H CYS 66 H CYS 66 -2.401 4.113 16.671 448 HA CYS 66 HA CYS 66 -2.414 6.851 16.004 449 HB2 CYS 66 2HB CYS 66 -0.539 4.745 14.912 450 HB3 CYS 66 1HB CYS 66 -0.209 6.459 15.154 451 HG CYS 66 HG CYS 66 0.898 6.115 17.441 452 HA PRO 67 HA PRO 67 -4.681 6.351 12.193 453 HB2 PRO 67 2HB PRO 67 -4.790 8.931 11.448 454 HB3 PRO 67 1HB PRO 67 -5.675 8.335 12.859 455 HG2 PRO 67 2HG PRO 67 -3.043 9.779 12.755 456 HG3 PRO 67 1HG PRO 67 -4.428 10.061 13.827 457 HD2 PRO 67 2HD PRO 67 -2.236 8.621 14.578 458 HD3 PRO 67 1HD PRO 67 -3.860 8.327 15.231 459 H LEU 68 H LEU 68 -2.375 5.290 11.617 460 HA LEU 68 HA LEU 68 -0.946 6.832 9.610 461 HB2 LEU 68 1HB LEU 68 -0.622 4.068 10.751 462 HB3 LEU 68 2HB LEU 68 0.197 4.505 9.265 463 HG LEU 68 HG LEU 68 1.696 4.730 11.164 464 HD11 LEU 68 1HD1 LEU 68 1.993 6.252 9.287 465 HD12 LEU 68 2HD1 LEU 68 2.440 7.029 10.805 466 HD13 LEU 68 3HD1 LEU 68 0.900 7.413 10.038 467 HD21 LEU 68 1HD2 LEU 68 1.315 6.374 12.923 468 HD22 LEU 68 2HD2 LEU 68 0.042 5.154 12.912 469 HD23 LEU 68 3HD2 LEU 68 -0.265 6.756 12.240 470 H THR 69 H THR 69 -3.812 5.236 9.647 471 HA THR 69 HA THR 69 -3.828 3.629 7.376 472 HB THR 69 HB THR 69 -5.685 3.600 8.923 473 HG1 THR 69 1HG THR 69 -7.419 3.834 7.339 474 HG21 THR 69 1HG2 THR 69 -6.304 6.408 7.974 475 HG22 THR 69 2HG2 THR 69 -5.737 5.951 9.581 476 HG23 THR 69 3HG2 THR 69 -7.328 5.430 9.028 477 H ASP 70 H ASP 70 -4.474 7.119 7.664 478 HA ASP 70 HA ASP 70 -5.100 7.651 4.994 479 HB2 ASP 70 1HB ASP 70 -3.648 9.453 6.958 480 HB3 ASP 70 2HB ASP 70 -4.448 9.979 5.480 481 H VAL 71 H VAL 71 -2.016 7.461 6.665 482 HA VAL 71 HA VAL 71 -0.401 8.465 4.576 483 HB VAL 71 HB VAL 71 0.394 6.610 6.837 484 HG11 VAL 71 1HG1 VAL 71 2.659 7.517 6.498 485 HG12 VAL 71 2HG1 VAL 71 2.080 8.418 5.098 486 HG13 VAL 71 3HG1 VAL 71 2.074 6.654 5.075 487 HG21 VAL 71 1HG2 VAL 71 -0.650 8.626 7.702 488 HG22 VAL 71 2HG2 VAL 71 0.400 9.631 6.702 489 HG23 VAL 71 3HG2 VAL 71 1.086 8.667 8.009 490 H ILE 72 H ILE 72 -1.089 5.129 5.641 491 HA ILE 72 HA ILE 72 0.542 3.896 3.710 492 HB ILE 72 HB ILE 72 -0.540 1.809 4.280 493 HG12 ILE 72 1HG1 ILE 72 -2.476 3.489 5.896 494 HG13 ILE 72 2HG1 ILE 72 -2.869 2.606 4.422 495 HG21 ILE 72 1HG2 ILE 72 -0.014 1.784 6.666 496 HG22 ILE 72 2HG2 ILE 72 -0.053 3.548 6.701 497 HG23 ILE 72 3HG2 ILE 72 1.183 2.712 5.760 498 HD11 ILE 72 1HD1 ILE 72 -2.339 0.515 5.529 499 HD12 ILE 72 2HD1 ILE 72 -3.595 1.402 6.394 500 HD13 ILE 72 3HD1 ILE 72 -1.939 1.391 7.004 501 H GLU 73 H GLU 73 -2.917 4.675 3.712 502 HA GLU 73 HA GLU 73 -3.460 3.457 1.200 503 HB2 GLU 73 1HB GLU 73 -4.905 5.373 2.981 504 HB3 GLU 73 2HB GLU 73 -5.463 5.193 1.321 505 HG2 GLU 73 1HG GLU 73 -4.974 2.656 2.686 506 HG3 GLU 73 2HG GLU 73 -6.236 3.635 3.438 507 H ASP 74 H ASP 74 -2.479 6.719 2.145 508 HA ASP 74 HA ASP 74 -2.861 7.859 -0.421 509 HB2 ASP 74 1HB ASP 74 -2.672 9.244 1.610 510 HB3 ASP 74 2HB ASP 74 -0.979 8.776 1.768 511 H GLN 75 H GLN 75 0.021 6.505 1.190 512 HA GLN 75 HA GLN 75 1.785 7.013 -0.949 513 HB2 GLN 75 1HB GLN 75 3.344 5.500 0.135 514 HB3 GLN 75 2HB GLN 75 2.597 6.565 1.320 515 HG2 GLN 75 1HG GLN 75 1.039 4.783 1.911 516 HG3 GLN 75 2HG GLN 75 1.831 3.719 0.761 517 HE21 GLN 75 1HE2 GLN 75 4.342 4.835 3.756 518 HE22 GLN 75 2HE2 GLN 75 3.537 6.006 2.781 519 H SER 76 H SER 76 -0.155 4.165 -0.106 520 HA SER 76 HA SER 76 0.678 2.517 -2.226 521 HB2 SER 76 1HB SER 76 -0.667 1.707 -0.315 522 HB3 SER 76 2HB SER 76 -2.043 2.652 -0.880 523 HG SER 76 HG SER 76 -2.059 0.399 -1.498 524 H ARG 77 H ARG 77 -2.147 4.666 -1.962 525 HA ARG 77 HA ARG 77 -3.076 4.505 -4.563 526 HB2 ARG 77 1HB ARG 77 -4.545 5.640 -3.219 527 HB3 ARG 77 2HB ARG 77 -3.281 6.506 -2.370 528 HG2 ARG 77 1HG ARG 77 -3.778 7.238 -5.211 529 HG3 ARG 77 2HG ARG 77 -4.979 7.718 -4.011 530 HD2 ARG 77 1HD ARG 77 -3.371 8.968 -2.775 531 HD3 ARG 77 2HD ARG 77 -2.032 8.288 -3.696 532 HE ARG 77 HE ARG 77 -3.399 9.533 -5.617 533 HH11 ARG 77 1HH1 ARG 77 -2.502 10.639 -2.405 534 HH12 ARG 77 2HH1 ARG 77 -2.292 12.285 -2.908 535 HH21 ARG 77 1HH2 ARG 77 -3.111 11.692 -6.263 536 HH22 ARG 77 2HH2 ARG 77 -2.656 12.890 -5.089 537 H SER 78 H SER 78 -0.457 6.520 -3.301 538 HA SER 78 HA SER 78 -0.163 8.277 -5.427 539 HB2 SER 78 1HB SER 78 1.936 7.143 -3.566 540 HB3 SER 78 2HB SER 78 2.229 8.482 -4.674 541 HG SER 78 HG SER 78 0.713 8.390 -2.333 542 H ALA 79 H ALA 79 1.516 5.152 -4.935 543 HA ALA 79 HA ALA 79 2.811 5.305 -7.488 544 HB1 ALA 79 1HB ALA 79 3.796 4.109 -5.567 545 HB2 ALA 79 2HB ALA 79 3.655 3.086 -6.997 546 HB3 ALA 79 3HB ALA 79 2.504 2.913 -5.670 547 H LEU 80 H LEU 80 0.121 3.331 -6.198 548 HA LEU 80 HA LEU 80 -0.175 1.737 -8.489 549 HB2 LEU 80 1HB LEU 80 -2.214 2.435 -6.370 550 HB3 LEU 80 2HB LEU 80 -2.420 1.172 -7.573 551 HG LEU 80 HG LEU 80 -0.300 1.236 -5.413 552 HD11 LEU 80 1HD1 LEU 80 -2.716 -0.545 -5.735 553 HD12 LEU 80 2HD1 LEU 80 -2.530 0.747 -4.549 554 HD13 LEU 80 3HD1 LEU 80 -1.489 -0.673 -4.473 555 HD21 LEU 80 1HD2 LEU 80 0.292 -1.011 -6.181 556 HD22 LEU 80 2HD2 LEU 80 0.540 0.182 -7.454 557 HD23 LEU 80 3HD2 LEU 80 -0.871 -0.875 -7.499 558 H VAL 81 H VAL 81 -1.479 4.881 -7.708 559 HA VAL 81 HA VAL 81 -3.133 4.946 -10.103 560 HB VAL 81 HB VAL 81 -2.549 7.131 -8.080 561 HG11 VAL 81 1HG1 VAL 81 -4.572 7.034 -10.330 562 HG12 VAL 81 2HG1 VAL 81 -3.165 8.095 -10.226 563 HG13 VAL 81 3HG1 VAL 81 -4.495 8.282 -9.084 564 HG21 VAL 81 1HG2 VAL 81 -3.774 5.244 -7.110 565 HG22 VAL 81 2HG2 VAL 81 -4.976 5.356 -8.396 566 HG23 VAL 81 3HG2 VAL 81 -4.803 6.671 -7.234 567 H GLY 82 H GLY 82 0.065 5.822 -9.081 568 HA2 GLY 82 1HA GLY 82 0.595 8.044 -10.714 569 HA3 GLY 82 2HA GLY 82 1.801 6.927 -10.094 570 H SER 83 H SER 83 1.216 4.589 -11.328 571 HA SER 83 HA SER 83 1.503 5.222 -14.188 572 HB2 SER 83 1HB SER 83 2.112 2.646 -12.708 573 HB3 SER 83 2HB SER 83 2.432 2.957 -14.416 574 HG SER 83 HG SER 83 3.684 4.027 -12.133 575 H GLY 84 H GLY 84 -0.893 4.512 -12.104 576 HA2 GLY 84 1HA GLY 84 -3.032 3.713 -12.309 577 HA3 GLY 84 2HA GLY 84 -2.821 3.910 -14.044 578 H LEU 85 H LEU 85 -1.390 1.766 -11.589 579 HA LEU 85 HA LEU 85 -1.211 -0.435 -13.377 580 HB2 LEU 85 1HB LEU 85 -1.051 -0.402 -10.355 581 HB3 LEU 85 2HB LEU 85 -0.556 -1.730 -11.389 582 HG LEU 85 HG LEU 85 0.723 1.012 -11.300 583 HD11 LEU 85 1HD1 LEU 85 1.221 -0.326 -9.323 584 HD12 LEU 85 2HD1 LEU 85 2.647 -0.148 -10.345 585 HD13 LEU 85 3HD1 LEU 85 1.745 -1.665 -10.347 586 HD21 LEU 85 1HD2 LEU 85 0.808 0.066 -13.547 587 HD22 LEU 85 2HD2 LEU 85 1.487 -1.430 -12.906 588 HD23 LEU 85 3HD2 LEU 85 2.406 0.072 -12.806 589 H VAL 86 H VAL 86 -3.615 0.652 -11.105 590 HA VAL 86 HA VAL 86 -5.415 -1.494 -11.984 591 HB VAL 86 HB VAL 86 -6.336 -1.707 -9.680 592 HG11 VAL 86 1HG1 VAL 86 -4.531 -3.101 -8.781 593 HG12 VAL 86 2HG1 VAL 86 -3.400 -2.381 -9.925 594 HG13 VAL 86 3HG1 VAL 86 -4.746 -3.360 -10.511 595 HG21 VAL 86 1HG2 VAL 86 -3.911 -0.088 -8.864 596 HG22 VAL 86 2HG2 VAL 86 -5.047 -0.877 -7.769 597 HG23 VAL 86 3HG2 VAL 86 -5.590 0.452 -8.792 598 H ASP 87 H ASP 87 -7.734 -0.937 -11.059 599 HA ASP 87 HA ASP 87 -8.291 1.772 -11.998 600 HB2 ASP 87 1HB ASP 87 -9.565 -0.144 -12.927 601 HB3 ASP 87 2HB ASP 87 -10.192 -0.496 -11.321 602 H ASP 88 H ASP 88 -8.686 -0.246 -9.140 603 HA ASP 88 HA ASP 88 -8.917 2.149 -7.496 604 HB2 ASP 88 1HB ASP 88 -11.257 1.488 -7.919 605 HB3 ASP 88 2HB ASP 88 -10.911 -0.136 -7.328 606 H ILE 89 H ILE 89 -8.511 1.700 -5.215 607 HA ILE 89 HA ILE 89 -6.897 -0.743 -4.819 608 HB ILE 89 HB ILE 89 -5.309 0.466 -3.483 609 HG12 ILE 89 1HG1 ILE 89 -6.889 3.007 -3.988 610 HG13 ILE 89 2HG1 ILE 89 -6.992 2.074 -2.498 611 HG21 ILE 89 1HG2 ILE 89 -4.333 2.010 -5.129 612 HG22 ILE 89 2HG2 ILE 89 -5.849 1.993 -6.033 613 HG23 ILE 89 3HG2 ILE 89 -4.897 0.515 -5.880 614 HD11 ILE 89 1HD1 ILE 89 -5.515 3.970 -2.239 615 HD12 ILE 89 2HD1 ILE 89 -4.523 3.408 -3.584 616 HD13 ILE 89 3HD1 ILE 89 -4.614 2.462 -2.098 617 H ARG 90 H ARG 90 -6.797 -1.494 -2.608 618 HA ARG 90 HA ARG 90 -8.580 -0.282 -0.679 619 HB2 ARG 90 1HB ARG 90 -10.082 -1.684 -2.053 620 HB3 ARG 90 2HB ARG 90 -9.084 -3.085 -1.699 621 HG2 ARG 90 1HG ARG 90 -11.102 -3.055 -0.341 622 HG3 ARG 90 2HG ARG 90 -9.655 -2.930 0.660 623 HD2 ARG 90 1HD ARG 90 -10.962 -0.399 -0.213 624 HD3 ARG 90 2HD ARG 90 -11.782 -1.361 1.013 625 HE ARG 90 HE ARG 90 -9.773 -1.162 2.381 626 HH11 ARG 90 1HH1 ARG 90 -10.025 1.060 -0.320 627 HH12 ARG 90 2HH1 ARG 90 -9.053 2.283 0.446 628 HH21 ARG 90 1HH2 ARG 90 -8.491 0.443 3.361 629 HH22 ARG 90 2HH2 ARG 90 -8.214 1.942 2.527 630 H ILE 91 H ILE 91 -7.042 -0.117 0.870 631 HA ILE 91 HA ILE 91 -5.549 -2.499 1.671 632 HB ILE 91 HB ILE 91 -5.509 0.328 2.769 633 HG12 ILE 91 1HG1 ILE 91 -3.519 -1.203 1.061 634 HG13 ILE 91 2HG1 ILE 91 -4.511 0.157 0.542 635 HG21 ILE 91 1HG2 ILE 91 -3.566 -0.379 4.091 636 HG22 ILE 91 2HG2 ILE 91 -3.767 -2.033 3.511 637 HG23 ILE 91 3HG2 ILE 91 -5.006 -1.300 4.530 638 HD11 ILE 91 1HD1 ILE 91 -3.322 1.617 2.090 639 HD12 ILE 91 2HD1 ILE 91 -2.222 0.836 0.955 640 HD13 ILE 91 3HD1 ILE 91 -2.330 0.256 2.616 641 H ASN 92 H ASN 92 -6.573 -3.900 2.926 642 HA ASN 92 HA ASN 92 -8.720 -3.006 4.695 643 HB2 ASN 92 1HB ASN 92 -9.122 -5.413 5.087 644 HB3 ASN 92 2HB ASN 92 -9.143 -5.023 3.370 645 HD21 ASN 92 1HD2 ASN 92 -6.255 -7.438 4.926 646 HD22 ASN 92 2HD2 ASN 92 -7.272 -6.491 5.944 647 H TRP 93 H TRP 93 -8.609 -3.105 6.913 648 HA TRP 93 HA TRP 93 -5.892 -3.434 8.006 649 HB2 TRP 93 2HB TRP 93 -8.196 -1.924 9.266 650 HB3 TRP 93 1HB TRP 93 -6.494 -1.850 9.712 651 HD1 TRP 93 1HD TRP 93 -4.878 -0.368 8.154 652 HE1 TRP 93 1HE TRP 93 -5.386 1.507 6.462 653 HE3 TRP 93 3HE TRP 93 -9.885 -1.176 7.508 654 HZ2 TRP 93 2HZ TRP 93 -7.603 2.507 5.042 655 HZ3 TRP 93 3HZ TRP 93 -11.128 0.284 5.964 656 HH2 TRP 93 2HH TRP 93 -10.007 2.089 4.758 657 H VAL 94 H VAL 94 -5.713 -5.459 8.800 658 HA VAL 94 HA VAL 94 -7.959 -6.635 10.251 659 HB VAL 94 HB VAL 94 -6.472 -8.645 10.477 660 HG11 VAL 94 1HG1 VAL 94 -6.952 -7.656 7.665 661 HG12 VAL 94 2HG1 VAL 94 -8.139 -8.451 8.703 662 HG13 VAL 94 3HG1 VAL 94 -6.716 -9.337 8.150 663 HG21 VAL 94 1HG2 VAL 94 -4.471 -8.773 9.038 664 HG22 VAL 94 2HG2 VAL 94 -4.295 -7.562 10.309 665 HG23 VAL 94 3HG2 VAL 94 -4.650 -7.060 8.655 666 H TRP 95 H TRP 95 -8.175 -6.453 12.348 667 HA TRP 95 HA TRP 95 -5.860 -5.655 13.993 668 HB2 TRP 95 2HB TRP 95 -8.758 -5.658 14.872 669 HB3 TRP 95 1HB TRP 95 -7.405 -4.781 15.581 670 HD1 TRP 95 1HD TRP 95 -10.269 -4.278 13.341 671 HE1 TRP 95 1HE TRP 95 -10.078 -2.047 12.077 672 HE3 TRP 95 3HE TRP 95 -5.355 -3.201 14.316 673 HZ2 TRP 95 2HZ TRP 95 -8.107 -0.085 11.563 674 HZ3 TRP 95 3HZ TRP 95 -4.399 -1.131 13.396 675 HH2 TRP 95 2HH TRP 95 -5.745 0.396 12.046 676 H ASN 96 H ASN 96 -8.514 -7.906 13.725 677 HA ASN 96 HA ASN 96 -7.176 -10.066 14.988 678 HB2 ASN 96 1HB ASN 96 -9.307 -8.607 16.561 679 HB3 ASN 96 2HB ASN 96 -9.030 -10.327 16.796 680 HD21 ASN 96 1HD2 ASN 96 -5.545 -9.474 17.884 681 HD22 ASN 96 2HD2 ASN 96 -6.182 -10.266 16.487 682 HA PRO 97 HA PRO 97 -11.659 -11.219 13.355 683 HB2 PRO 97 2HB PRO 97 -12.444 -8.664 12.058 684 HB3 PRO 97 1HB PRO 97 -13.419 -9.781 13.020 685 HG2 PRO 97 2HG PRO 97 -12.670 -7.421 14.015 686 HG3 PRO 97 1HG PRO 97 -12.713 -8.874 15.036 687 HD2 PRO 97 2HD PRO 97 -10.354 -7.539 13.742 688 HD3 PRO 97 1HD PRO 97 -10.517 -8.190 15.387 689 HA PRO 98 HA PRO 98 -9.909 -11.820 9.338 690 HB2 PRO 98 2HB PRO 98 -11.956 -12.817 7.900 691 HB3 PRO 98 1HB PRO 98 -11.265 -13.703 9.266 692 HG2 PRO 98 2HG PRO 98 -13.737 -12.002 9.176 693 HG3 PRO 98 1HG PRO 98 -13.517 -13.607 9.896 694 HD2 PRO 98 2HD PRO 98 -13.450 -11.313 11.358 695 HD3 PRO 98 1HD PRO 98 -12.511 -12.757 11.793 696 H TRP 99 H TRP 99 -10.436 -11.504 6.898 697 HA TRP 99 HA TRP 99 -10.653 -8.692 6.447 698 HB2 TRP 99 2HB TRP 99 -10.595 -10.872 4.345 699 HB3 TRP 99 1HB TRP 99 -10.036 -9.206 4.190 700 HD1 TRP 99 1HD TRP 99 -7.709 -8.593 5.483 701 HE1 TRP 99 1HE TRP 99 -5.718 -10.062 6.161 702 HE3 TRP 99 3HE TRP 99 -9.914 -13.181 5.046 703 HZ2 TRP 99 2HZ TRP 99 -5.142 -12.810 6.442 704 HZ3 TRP 99 3HZ TRP 99 -8.568 -15.184 5.530 705 HH2 TRP 99 2HH TRP 99 -6.230 -15.000 6.214 706 H GLY 100 H GLY 100 -12.560 -7.648 6.318 707 HA2 GLY 100 1HA GLY 100 -14.860 -9.039 5.107 708 HA3 GLY 100 2HA GLY 100 -15.013 -8.316 6.700 709 HA PRO 101 HA PRO 101 -16.657 -4.848 4.428 710 HB2 PRO 101 2HB PRO 101 -16.132 -3.402 6.976 711 HB3 PRO 101 1HB PRO 101 -17.636 -3.565 6.061 712 HG2 PRO 101 2HG PRO 101 -17.286 -4.917 8.335 713 HG3 PRO 101 1HG PRO 101 -18.108 -5.665 6.951 714 HD2 PRO 101 2HD PRO 101 -15.292 -6.046 7.914 715 HD3 PRO 101 1HD PRO 101 -16.453 -7.253 7.317 716 H ASP 102 H ASP 102 -13.654 -4.835 6.199 717 HA ASP 102 HA ASP 102 -12.574 -2.374 5.405 718 HB2 ASP 102 1HB ASP 102 -11.073 -4.966 5.870 719 HB3 ASP 102 2HB ASP 102 -10.393 -3.343 5.932 720 H LYS 103 H LYS 103 -13.344 -5.078 3.543 721 HA LYS 103 HA LYS 103 -11.331 -4.640 1.497 722 HB2 LYS 103 1HB LYS 103 -13.675 -6.556 1.598 723 HB3 LYS 103 2HB LYS 103 -12.461 -6.516 0.322 724 HG2 LYS 103 1HG LYS 103 -10.768 -6.924 2.230 725 HG3 LYS 103 2HG LYS 103 -12.182 -7.385 3.181 726 HD2 LYS 103 1HD LYS 103 -11.161 -8.661 0.640 727 HD3 LYS 103 2HD LYS 103 -11.260 -9.386 2.243 728 HE2 LYS 103 1HE LYS 103 -13.634 -8.544 0.570 729 HE3 LYS 103 2HE LYS 103 -13.018 -10.187 0.691 730 HZ1 LYS 103 1HZ LYS 103 -14.105 -8.582 2.940 731 HZ2 LYS 103 2HZ LYS 103 -13.519 -10.167 3.053 732 HZ3 LYS 103 3HZ LYS 103 -14.906 -9.839 2.141 733 H ILE 104 H ILE 104 -13.912 -2.900 2.295 734 HA ILE 104 HA ILE 104 -14.684 -2.355 -0.508 735 HB ILE 104 HB ILE 104 -16.365 -1.945 1.982 736 HG12 ILE 104 1HG1 ILE 104 -16.664 -3.962 -0.270 737 HG13 ILE 104 2HG1 ILE 104 -16.127 -4.327 1.366 738 HG21 ILE 104 1HG2 ILE 104 -18.176 -1.368 0.417 739 HG22 ILE 104 2HG2 ILE 104 -17.045 -1.490 -0.930 740 HG23 ILE 104 3HG2 ILE 104 -16.824 -0.244 0.299 741 HD11 ILE 104 1HD1 ILE 104 -18.307 -3.641 2.230 742 HD12 ILE 104 2HD1 ILE 104 -18.444 -4.947 1.053 743 HD13 ILE 104 3HD1 ILE 104 -18.845 -3.293 0.588 744 H THR 105 H THR 105 -13.525 -0.603 -1.110 745 HA THR 105 HA THR 105 -12.567 1.464 0.427 746 HB THR 105 HB THR 105 -13.438 2.013 -2.379 747 HG1 THR 105 1HG THR 105 -11.775 0.590 -3.140 748 HG21 THR 105 1HG2 THR 105 -11.180 2.876 -2.556 749 HG22 THR 105 2HG2 THR 105 -10.793 2.231 -0.963 750 HG23 THR 105 3HG2 THR 105 -11.960 3.542 -1.120 751 H GLU 106 H GLU 106 -13.228 3.663 0.614 752 HA GLU 106 HA GLU 106 -15.786 4.192 1.467 753 HB2 GLU 106 1HB GLU 106 -13.792 5.624 1.866 754 HB3 GLU 106 2HB GLU 106 -13.873 6.164 0.195 755 HG2 GLU 106 1HG GLU 106 -14.841 7.854 1.570 756 HG3 GLU 106 2HG GLU 106 -16.138 7.083 0.659 757 H ASP 107 H ASP 107 -14.403 4.828 -1.747 758 HA ASP 107 HA ASP 107 -16.576 6.150 -2.888 759 HB2 ASP 107 1HB ASP 107 -14.620 4.316 -4.306 760 HB3 ASP 107 2HB ASP 107 -15.605 5.566 -5.058 761 H GLY 108 H GLY 108 -15.943 2.724 -2.491 762 HA2 GLY 108 1HA GLY 108 -18.090 1.820 -4.156 763 HA3 GLY 108 2HA GLY 108 -17.184 0.851 -3.003 764 H ARG 109 H ARG 109 -17.728 2.522 -0.734 765 HA ARG 109 HA ARG 109 -20.301 1.525 0.050 766 HB2 ARG 109 1HB ARG 109 -18.278 1.816 1.545 767 HB3 ARG 109 2HB ARG 109 -18.536 3.549 1.466 768 HG2 ARG 109 1HG ARG 109 -20.643 1.665 2.499 769 HG3 ARG 109 2HG ARG 109 -19.370 2.312 3.529 770 HD2 ARG 109 1HD ARG 109 -21.461 3.893 2.031 771 HD3 ARG 109 2HD ARG 109 -21.374 3.643 3.771 772 HE ARG 109 HE ARG 109 -19.007 4.881 2.746 773 HH11 ARG 109 1HH1 ARG 109 -22.310 5.519 3.734 774 HH12 ARG 109 2HH1 ARG 109 -22.002 7.181 4.126 775 HH21 ARG 109 1HH2 ARG 109 -18.603 7.054 3.245 776 HH22 ARG 109 2HH2 ARG 109 -19.888 8.062 3.843 777 H GLU 110 H GLU 110 -19.058 4.491 -1.212 778 HA GLU 110 HA GLU 110 -20.946 6.323 -0.154 779 HB2 GLU 110 1HB GLU 110 -18.646 6.797 -0.999 780 HB3 GLU 110 2HB GLU 110 -19.252 6.487 -2.623 781 HG2 GLU 110 1HG GLU 110 -20.865 8.367 -2.294 782 HG3 GLU 110 2HG GLU 110 -20.049 8.731 -0.774 783 H GLN 111 H GLN 111 -20.420 5.328 -3.516 784 HA GLN 111 HA GLN 111 -21.785 4.845 -5.244 785 HB2 GLN 111 1HB GLN 111 -24.025 4.456 -3.273 786 HB3 GLN 111 2HB GLN 111 -23.712 3.586 -4.776 787 HG2 GLN 111 1HG GLN 111 -21.659 2.658 -3.771 788 HG3 GLN 111 2HG GLN 111 -22.046 3.471 -2.262 789 HE21 GLN 111 1HE2 GLN 111 -23.190 -0.153 -2.389 790 HE22 GLN 111 2HE2 GLN 111 -21.716 0.625 -2.847 791 H LEU 112 H LEU 112 -22.124 7.630 -3.588 792 HA LEU 112 HA LEU 112 -23.400 8.913 -5.767 793 HB2 LEU 112 1HB LEU 112 -25.404 7.975 -4.597 794 HB3 LEU 112 2HB LEU 112 -24.977 8.933 -3.197 795 HG LEU 112 HG LEU 112 -25.302 10.999 -4.496 796 HD11 LEU 112 1HD1 LEU 112 -26.317 10.912 -6.720 797 HD12 LEU 112 2HD1 LEU 112 -26.190 9.152 -6.716 798 HD13 LEU 112 3HD1 LEU 112 -24.730 10.143 -6.708 799 HD21 LEU 112 1HD2 LEU 112 -27.660 9.111 -4.591 800 HD22 LEU 112 2HD2 LEU 112 -27.747 10.869 -4.701 801 HD23 LEU 112 3HD2 LEU 112 -27.177 10.106 -3.217 802 H ARG 113 H ARG 113 -23.391 11.166 -5.579 803 HA ARG 113 HA ARG 113 -20.998 12.046 -4.322 804 HB2 ARG 113 1HB ARG 113 -21.843 12.816 -6.557 805 HB3 ARG 113 2HB ARG 113 -23.089 13.733 -5.721 806 HG2 ARG 113 1HG ARG 113 -21.351 15.059 -4.601 807 HG3 ARG 113 2HG ARG 113 -20.111 14.137 -5.451 808 HD2 ARG 113 1HD ARG 113 -21.111 14.917 -7.607 809 HD3 ARG 113 2HD ARG 113 -22.184 15.962 -6.672 810 HE ARG 113 HE ARG 113 -19.255 16.196 -6.431 811 HH11 ARG 113 1HH1 ARG 113 -22.344 17.619 -7.258 812 HH12 ARG 113 2HH1 ARG 113 -21.728 19.239 -7.304 813 HH21 ARG 113 1HH2 ARG 113 -18.435 18.326 -6.513 814 HH22 ARG 113 2HH2 ARG 113 -19.504 19.640 -6.884 815 H ALA 114 H ALA 114 -24.384 12.345 -3.563 816 HA ALA 114 HA ALA 114 -24.120 14.488 -1.691 817 HB1 ALA 114 1HB ALA 114 -26.219 14.069 -2.861 818 HB2 ALA 114 2HB ALA 114 -26.448 13.991 -1.115 819 HB3 ALA 114 3HB ALA 114 -26.367 12.505 -2.062 820 H LEU 115 H LEU 115 -23.515 11.110 -1.482 821 HA LEU 115 HA LEU 115 -24.035 10.989 1.387 822 HB2 LEU 115 1HB LEU 115 -23.269 8.930 -0.672 823 HB3 LEU 115 2HB LEU 115 -23.158 8.574 1.038 824 HG LEU 115 HG LEU 115 -25.232 7.695 0.125 825 HD11 LEU 115 1HD1 LEU 115 -25.738 10.081 1.905 826 HD12 LEU 115 2HD1 LEU 115 -25.233 8.478 2.441 827 HD13 LEU 115 3HD1 LEU 115 -26.812 8.698 1.686 828 HD21 LEU 115 1HD2 LEU 115 -25.493 9.270 -1.740 829 HD22 LEU 115 2HD2 LEU 115 -25.916 10.548 -0.599 830 HD23 LEU 115 3HD2 LEU 115 -26.966 9.140 -0.780 831 H GLY 116 H GLY 116 -21.322 11.051 -0.847 832 HA2 GLY 116 1HA GLY 116 -19.421 10.673 1.355 833 HA3 GLY 116 2HA GLY 116 -19.039 10.685 -0.359 834 H PHE 117 H PHE 117 -17.705 12.140 1.739 835 HA PHE 117 HA PHE 117 -18.532 14.864 1.698 836 HB2 PHE 117 2HB PHE 117 -17.143 13.918 3.518 837 HB3 PHE 117 1HB PHE 117 -15.815 13.701 2.384 838 HD1 PHE 117 1HD PHE 117 -14.326 15.482 1.914 839 HD2 PHE 117 2HD PHE 117 -17.953 16.258 4.011 840 HE1 PHE 117 1HE PHE 117 -13.551 17.764 2.406 841 HE2 PHE 117 2HE PHE 117 -17.181 18.540 4.503 842 HZ PHE 117 HZ PHE 117 -14.978 19.298 3.701 843 H THR 118 H THR 118 -18.825 15.362 -0.474 844 HA THR 118 HA THR 118 -16.421 15.554 -2.139 845 HB THR 118 HB THR 118 -18.085 16.294 -3.921 846 HG1 THR 118 1HG THR 118 -20.103 15.131 -2.327 847 HG21 THR 118 1HG2 THR 118 -18.480 13.553 -2.701 848 HG22 THR 118 2HG2 THR 118 -17.204 14.004 -3.832 849 HG23 THR 118 3HG2 THR 118 -18.888 14.013 -4.356 850 H VAL 119 H VAL 119 -15.486 17.470 -2.615 851 HA VAL 119 HA VAL 119 -15.902 19.608 -0.831 852 HB VAL 119 HB VAL 119 -14.209 20.840 -2.212 853 HG11 VAL 119 1HG1 VAL 119 -12.354 19.312 -1.672 854 HG12 VAL 119 2HG1 VAL 119 -13.513 18.006 -1.419 855 HG13 VAL 119 3HG1 VAL 119 -13.526 19.416 -0.361 856 HG21 VAL 119 1HG2 VAL 119 -14.185 18.311 -3.879 857 HG22 VAL 119 2HG2 VAL 119 -13.059 19.661 -4.025 858 HG23 VAL 119 3HG2 VAL 119 -14.762 19.891 -4.418 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 16.769 2.992 -0.478 2 H2 GLY 1 2H GLY 1 15.738 1.952 -1.321 3 H3 GLY 1 3H GLY 1 17.276 1.424 -0.854 4 HA2 GLY 1 1HA GLY 1 16.668 1.571 1.468 5 HA3 GLY 1 2HA GLY 1 15.074 2.143 0.993 6 HA PRO 2 HA PRO 2 15.026 -2.542 1.360 7 HB2 PRO 2 2HB PRO 2 12.867 -2.118 3.309 8 HB3 PRO 2 1HB PRO 2 14.370 -3.028 3.488 9 HG2 PRO 2 2HG PRO 2 13.930 -0.698 4.783 10 HG3 PRO 2 1HG PRO 2 15.546 -1.201 4.250 11 HD2 PRO 2 2HD PRO 2 13.642 0.739 2.966 12 HD3 PRO 2 1HD PRO 2 15.399 0.877 3.202 13 H GLY 3 H GLY 3 13.990 -3.216 -0.407 14 HA2 GLY 3 1HA GLY 3 11.227 -2.275 -0.896 15 HA3 GLY 3 2HA GLY 3 12.364 -2.713 -2.163 16 H SER 4 H SER 4 10.418 -4.034 -2.764 17 HA SER 4 HA SER 4 10.772 -6.732 -1.693 18 HB2 SER 4 1HB SER 4 8.797 -5.778 -0.522 19 HB3 SER 4 2HB SER 4 8.045 -5.448 -2.081 20 HG SER 4 HG SER 4 7.335 -7.417 -2.023 21 H MET 5 H MET 5 10.916 -8.194 -3.297 22 HA MET 5 HA MET 5 10.837 -7.245 -6.021 23 HB2 MET 5 1HB MET 5 11.519 -9.955 -4.851 24 HB3 MET 5 2HB MET 5 11.666 -9.548 -6.557 25 HG2 MET 5 1HG MET 5 13.286 -7.795 -5.983 26 HG3 MET 5 2HG MET 5 13.159 -8.253 -4.285 27 HE1 MET 5 1HE MET 5 16.722 -9.543 -5.271 28 HE2 MET 5 2HE MET 5 15.794 -8.560 -4.139 29 HE3 MET 5 3HE MET 5 15.924 -8.072 -5.829 30 H SER 6 H SER 6 8.283 -7.449 -4.580 31 HA SER 6 HA SER 6 6.791 -9.606 -5.722 32 HB2 SER 6 1HB SER 6 5.738 -6.991 -4.601 33 HB3 SER 6 2HB SER 6 4.877 -8.527 -4.729 34 HG SER 6 HG SER 6 6.359 -9.397 -3.212 35 H GLU 7 H GLU 7 7.739 -6.416 -6.667 36 HA GLU 7 HA GLU 7 5.676 -5.937 -8.563 37 HB2 GLU 7 1HB GLU 7 8.368 -4.630 -8.140 38 HB3 GLU 7 2HB GLU 7 7.191 -4.073 -9.328 39 HG2 GLU 7 1HG GLU 7 6.877 -4.148 -6.334 40 HG3 GLU 7 2HG GLU 7 6.971 -2.724 -7.371 41 H THR 8 H THR 8 5.416 -7.120 -10.268 42 HA THR 8 HA THR 8 7.625 -7.381 -12.178 43 HB THR 8 HB THR 8 5.690 -9.670 -11.686 44 HG1 THR 8 1HG THR 8 7.239 -9.095 -9.873 45 HG21 THR 8 1HG2 THR 8 6.785 -9.643 -13.887 46 HG22 THR 8 2HG2 THR 8 7.374 -10.987 -12.909 47 HG23 THR 8 3HG2 THR 8 8.365 -9.543 -13.105 48 H SER 9 H SER 9 5.256 -5.634 -11.794 49 HA SER 9 HA SER 9 3.543 -6.411 -14.061 50 HB2 SER 9 1HB SER 9 2.394 -6.128 -11.880 51 HB3 SER 9 2HB SER 9 2.971 -4.463 -11.805 52 HG SER 9 HG SER 9 0.929 -4.392 -12.641 53 H ALA 10 H ALA 10 2.558 -4.377 -15.139 54 HA ALA 10 HA ALA 10 2.800 -2.574 -16.482 55 HB1 ALA 10 1HB ALA 10 3.188 -1.343 -14.405 56 HB2 ALA 10 2HB ALA 10 4.162 -0.687 -15.729 57 HB3 ALA 10 3HB ALA 10 4.912 -1.711 -14.500 58 HA PRO 11 HA PRO 11 6.152 -3.126 -19.439 59 HB2 PRO 11 2HB PRO 11 6.659 -0.194 -19.316 60 HB3 PRO 11 1HB PRO 11 6.310 -1.213 -20.715 61 HG2 PRO 11 2HG PRO 11 4.475 0.462 -19.683 62 HG3 PRO 11 1HG PRO 11 4.025 -1.098 -20.395 63 HD2 PRO 11 2HD PRO 11 4.174 -0.272 -17.541 64 HD3 PRO 11 1HD PRO 11 3.079 -1.427 -18.330 65 H ALA 12 H ALA 12 8.374 -3.416 -19.343 66 HA ALA 12 HA ALA 12 9.571 -3.582 -16.857 67 HB1 ALA 12 1HB ALA 12 10.306 -4.835 -18.842 68 HB2 ALA 12 2HB ALA 12 11.651 -4.048 -18.019 69 HB3 ALA 12 3HB ALA 12 11.002 -3.358 -19.509 70 H GLU 13 H GLU 13 10.275 -1.131 -19.365 71 HA GLU 13 HA GLU 13 12.144 0.317 -17.833 72 HB2 GLU 13 1HB GLU 13 10.402 1.334 -20.096 73 HB3 GLU 13 2HB GLU 13 11.877 2.090 -19.507 74 HG2 GLU 13 1HG GLU 13 11.635 -0.566 -20.910 75 HG3 GLU 13 2HG GLU 13 12.331 0.920 -21.553 76 H GLU 14 H GLU 14 8.667 0.708 -18.301 77 HA GLU 14 HA GLU 14 8.355 3.163 -16.960 78 HB2 GLU 14 1HB GLU 14 6.691 2.112 -18.485 79 HB3 GLU 14 2HB GLU 14 6.361 0.903 -17.256 80 HG2 GLU 14 1HG GLU 14 5.495 2.611 -15.769 81 HG3 GLU 14 2HG GLU 14 5.897 3.866 -16.943 82 H LEU 15 H LEU 15 7.936 -0.170 -15.870 83 HA LEU 15 HA LEU 15 7.166 0.254 -13.251 84 HB2 LEU 15 1HB LEU 15 7.108 -1.946 -14.310 85 HB3 LEU 15 2HB LEU 15 8.859 -1.974 -14.400 86 HG LEU 15 HG LEU 15 8.927 -1.947 -11.892 87 HD11 LEU 15 1HD1 LEU 15 5.951 -2.373 -12.150 88 HD12 LEU 15 2HD1 LEU 15 6.761 -0.980 -11.432 89 HD13 LEU 15 3HD1 LEU 15 6.891 -2.564 -10.668 90 HD21 LEU 15 1HD2 LEU 15 7.477 -4.267 -13.176 91 HD22 LEU 15 2HD2 LEU 15 8.326 -4.314 -11.632 92 HD23 LEU 15 3HD2 LEU 15 9.223 -4.023 -13.121 93 H LEU 16 H LEU 16 10.414 0.113 -14.648 94 HA LEU 16 HA LEU 16 11.932 0.035 -12.331 95 HB2 LEU 16 1HB LEU 16 12.860 -0.193 -14.598 96 HB3 LEU 16 2HB LEU 16 12.550 1.507 -14.901 97 HG LEU 16 HG LEU 16 14.170 2.114 -13.138 98 HD11 LEU 16 1HD1 LEU 16 14.746 -0.845 -12.981 99 HD12 LEU 16 2HD1 LEU 16 13.942 0.115 -11.739 100 HD13 LEU 16 3HD1 LEU 16 15.624 0.440 -12.150 101 HD21 LEU 16 1HD2 LEU 16 14.909 1.955 -15.461 102 HD22 LEU 16 2HD2 LEU 16 15.292 0.249 -15.231 103 HD23 LEU 16 3HD2 LEU 16 16.192 1.483 -14.349 104 H ALA 17 H ALA 17 10.931 2.946 -14.133 105 HA ALA 17 HA ALA 17 12.033 4.771 -12.270 106 HB1 ALA 17 1HB ALA 17 9.847 5.238 -14.303 107 HB2 ALA 17 2HB ALA 17 11.580 5.333 -14.622 108 HB3 ALA 17 3HB ALA 17 10.824 6.476 -13.512 109 H ASP 18 H ASP 18 8.677 3.725 -12.870 110 HA ASP 18 HA ASP 18 7.502 5.349 -10.904 111 HB2 ASP 18 1HB ASP 18 6.585 2.836 -12.285 112 HB3 ASP 18 2HB ASP 18 5.611 3.579 -11.020 113 H VAL 19 H VAL 19 8.638 1.981 -10.705 114 HA VAL 19 HA VAL 19 7.778 1.673 -8.003 115 HB VAL 19 HB VAL 19 8.297 -0.224 -9.690 116 HG11 VAL 19 1HG1 VAL 19 11.079 0.138 -8.559 117 HG12 VAL 19 2HG1 VAL 19 10.602 0.454 -10.228 118 HG13 VAL 19 3HG1 VAL 19 10.531 -1.188 -9.584 119 HG21 VAL 19 1HG2 VAL 19 7.580 -0.661 -7.424 120 HG22 VAL 19 2HG2 VAL 19 9.213 -0.388 -6.816 121 HG23 VAL 19 3HG2 VAL 19 8.877 -1.779 -7.849 122 H GLU 20 H GLU 20 10.765 2.728 -9.563 123 HA GLU 20 HA GLU 20 12.475 2.706 -7.361 124 HB2 GLU 20 1HB GLU 20 13.237 3.214 -9.642 125 HB3 GLU 20 2HB GLU 20 12.349 4.730 -9.612 126 HG2 GLU 20 1HG GLU 20 13.779 5.502 -7.756 127 HG3 GLU 20 2HG GLU 20 14.696 4.000 -7.869 128 H GLU 21 H GLU 21 10.349 5.333 -8.524 129 HA GLU 21 HA GLU 21 10.862 6.959 -6.224 130 HB2 GLU 21 1HB GLU 21 8.767 7.110 -8.386 131 HB3 GLU 21 2HB GLU 21 8.843 8.265 -7.058 132 HG2 GLU 21 1HG GLU 21 11.257 8.674 -7.757 133 HG3 GLU 21 2HG GLU 21 10.862 7.790 -9.232 134 H ALA 22 H ALA 22 8.276 4.699 -7.092 135 HA ALA 22 HA ALA 22 6.499 5.232 -5.013 136 HB1 ALA 22 1HB ALA 22 5.921 3.765 -6.883 137 HB2 ALA 22 2HB ALA 22 5.645 2.953 -5.341 138 HB3 ALA 22 3HB ALA 22 7.070 2.559 -6.304 139 H MET 23 H MET 23 9.223 2.991 -5.123 140 HA MET 23 HA MET 23 8.962 1.985 -2.493 141 HB2 MET 23 1HB MET 23 11.335 2.124 -4.362 142 HB3 MET 23 2HB MET 23 11.373 1.288 -2.816 143 HG2 MET 23 1HG MET 23 9.540 0.630 -5.113 144 HG3 MET 23 2HG MET 23 11.018 -0.234 -4.699 145 HE1 MET 23 1HE MET 23 9.685 -2.528 -4.652 146 HE2 MET 23 2HE MET 23 8.209 -1.663 -5.082 147 HE3 MET 23 3HE MET 23 8.210 -2.781 -3.716 148 H ARG 24 H ARG 24 9.945 5.017 -3.618 149 HA ARG 24 HA ARG 24 11.676 5.577 -1.308 150 HB2 ARG 24 1HB ARG 24 12.437 6.233 -3.568 151 HB3 ARG 24 2HB ARG 24 11.009 7.239 -3.757 152 HG2 ARG 24 1HG ARG 24 11.784 8.610 -1.833 153 HG3 ARG 24 2HG ARG 24 13.262 7.647 -1.794 154 HD2 ARG 24 1HD ARG 24 13.601 9.739 -3.014 155 HD3 ARG 24 2HD ARG 24 13.784 8.343 -4.078 156 HE ARG 24 HE ARG 24 11.176 9.059 -4.378 157 HH11 ARG 24 1HH1 ARG 24 14.222 10.768 -4.747 158 HH12 ARG 24 2HH1 ARG 24 13.580 11.896 -5.901 159 HH21 ARG 24 1HH2 ARG 24 10.366 10.503 -5.918 160 HH22 ARG 24 2HH2 ARG 24 11.396 11.738 -6.576 161 H ASP 25 H ASP 25 8.427 5.672 -2.055 162 HA ASP 25 HA ASP 25 7.953 8.061 -0.364 163 HB2 ASP 25 1HB ASP 25 7.330 8.459 -2.721 164 HB3 ASP 25 2HB ASP 25 6.258 7.063 -2.674 165 H VAL 26 H VAL 26 7.168 4.803 -1.128 166 HA VAL 26 HA VAL 26 4.989 4.558 0.734 167 HB VAL 26 HB VAL 26 6.486 2.599 -1.020 168 HG11 VAL 26 1HG1 VAL 26 5.801 1.416 0.975 169 HG12 VAL 26 2HG1 VAL 26 4.815 0.921 -0.398 170 HG13 VAL 26 3HG1 VAL 26 4.158 2.029 0.806 171 HG21 VAL 26 1HG2 VAL 26 4.996 4.132 -2.193 172 HG22 VAL 26 2HG2 VAL 26 3.664 3.680 -1.130 173 HG23 VAL 26 3HG2 VAL 26 4.350 2.492 -2.239 174 H VAL 27 H VAL 27 8.427 4.087 0.694 175 HA VAL 27 HA VAL 27 8.481 2.508 3.137 176 HB VAL 27 HB VAL 27 10.148 2.259 1.203 177 HG11 VAL 27 1HG1 VAL 27 12.057 3.769 1.149 178 HG12 VAL 27 2HG1 VAL 27 11.346 4.749 2.429 179 HG13 VAL 27 3HG1 VAL 27 10.563 4.658 0.853 180 HG21 VAL 27 1HG2 VAL 27 12.045 1.781 2.679 181 HG22 VAL 27 2HG2 VAL 27 10.528 1.218 3.379 182 HG23 VAL 27 3HG2 VAL 27 11.274 2.702 3.971 183 H ASP 28 H ASP 28 9.407 3.291 5.136 184 HA ASP 28 HA ASP 28 9.401 6.186 5.476 185 HB2 ASP 28 1HB ASP 28 8.518 4.744 7.301 186 HB3 ASP 28 2HB ASP 28 10.109 4.004 7.464 187 HA PRO 29 HA PRO 29 13.675 5.722 4.179 188 HB2 PRO 29 2HB PRO 29 13.787 8.406 3.282 189 HB3 PRO 29 1HB PRO 29 13.424 6.982 2.317 190 HG2 PRO 29 2HG PRO 29 11.641 9.067 2.939 191 HG3 PRO 29 1HG PRO 29 11.223 7.500 2.231 192 HD2 PRO 29 2HD PRO 29 11.006 8.423 5.058 193 HD3 PRO 29 1HD PRO 29 9.990 7.275 4.157 194 H GLU 30 H GLU 30 12.412 7.770 6.595 195 HA GLU 30 HA GLU 30 14.792 9.157 7.312 196 HB2 GLU 30 1HB GLU 30 12.619 9.955 8.086 197 HB3 GLU 30 2HB GLU 30 12.363 8.463 8.984 198 HG2 GLU 30 1HG GLU 30 14.216 8.989 10.454 199 HG3 GLU 30 2HG GLU 30 14.578 10.438 9.520 200 H LEU 31 H LEU 31 13.165 6.347 8.788 201 HA LEU 31 HA LEU 31 15.662 5.605 10.126 202 HB2 LEU 31 1HB LEU 31 12.938 4.311 10.312 203 HB3 LEU 31 2HB LEU 31 14.315 3.989 11.347 204 HG LEU 31 HG LEU 31 12.760 6.583 11.216 205 HD11 LEU 31 1HD1 LEU 31 11.528 4.781 12.306 206 HD12 LEU 31 2HD1 LEU 31 12.028 6.001 13.474 207 HD13 LEU 31 3HD1 LEU 31 12.899 4.471 13.372 208 HD21 LEU 31 1HD2 LEU 31 14.131 7.267 13.142 209 HD22 LEU 31 2HD2 LEU 31 15.105 7.022 11.694 210 HD23 LEU 31 3HD2 LEU 31 15.098 5.801 12.967 211 H GLY 32 H GLY 32 13.761 4.820 7.386 212 HA2 GLY 32 1HA GLY 32 14.455 3.611 5.534 213 HA3 GLY 32 2HA GLY 32 15.836 3.036 6.455 214 H ILE 33 H ILE 33 12.267 2.720 6.720 215 HA ILE 33 HA ILE 33 12.607 -0.196 6.593 216 HB ILE 33 HB ILE 33 11.092 -0.627 8.455 217 HG12 ILE 33 1HG1 ILE 33 9.895 1.592 8.364 218 HG13 ILE 33 2HG1 ILE 33 10.295 1.030 9.980 219 HG21 ILE 33 1HG2 ILE 33 12.607 -0.098 10.311 220 HG22 ILE 33 2HG2 ILE 33 13.466 1.046 9.277 221 HG23 ILE 33 3HG2 ILE 33 13.478 -0.675 8.890 222 HD11 ILE 33 1HD1 ILE 33 10.676 3.405 9.761 223 HD12 ILE 33 2HD1 ILE 33 11.778 3.128 8.415 224 HD13 ILE 33 3HD1 ILE 33 12.202 2.563 10.031 225 H ASN 34 H ASN 34 10.971 -1.271 5.626 226 HA ASN 34 HA ASN 34 8.746 0.329 4.561 227 HB2 ASN 34 1HB ASN 34 8.459 -1.503 2.923 228 HB3 ASN 34 2HB ASN 34 10.084 -0.831 2.861 229 HD21 ASN 34 1HD2 ASN 34 10.025 -4.623 2.856 230 HD22 ASN 34 2HD2 ASN 34 9.082 -3.449 2.007 231 H VAL 35 H VAL 35 6.638 -0.206 4.999 232 HA VAL 35 HA VAL 35 6.070 -1.478 7.429 233 HB VAL 35 HB VAL 35 3.695 -1.289 6.811 234 HG11 VAL 35 1HG1 VAL 35 3.639 1.163 6.457 235 HG12 VAL 35 2HG1 VAL 35 5.367 1.127 6.093 236 HG13 VAL 35 3HG1 VAL 35 4.794 0.676 7.699 237 HG21 VAL 35 1HG2 VAL 35 3.035 -0.379 4.630 238 HG22 VAL 35 2HG2 VAL 35 3.857 -1.928 4.450 239 HG23 VAL 35 3HG2 VAL 35 4.715 -0.431 4.094 240 H VAL 36 H VAL 36 6.343 -2.748 4.223 241 HA VAL 36 HA VAL 36 4.841 -5.087 4.371 242 HB VAL 36 HB VAL 36 7.486 -4.725 2.936 243 HG11 VAL 36 1HG1 VAL 36 6.632 -6.445 1.389 244 HG12 VAL 36 2HG1 VAL 36 5.222 -6.662 2.426 245 HG13 VAL 36 3HG1 VAL 36 6.829 -7.063 3.030 246 HG21 VAL 36 1HG2 VAL 36 6.143 -4.065 0.990 247 HG22 VAL 36 2HG2 VAL 36 5.919 -2.953 2.339 248 HG23 VAL 36 3HG2 VAL 36 4.680 -4.154 1.970 249 H ASP 37 H ASP 37 7.826 -4.230 5.881 250 HA ASP 37 HA ASP 37 8.990 -6.744 6.301 251 HB2 ASP 37 1HB ASP 37 10.168 -4.592 6.625 252 HB3 ASP 37 2HB ASP 37 9.180 -4.271 8.045 253 H LEU 38 H LEU 38 6.260 -5.245 7.822 254 HA LEU 38 HA LEU 38 6.327 -6.758 10.254 255 HB2 LEU 38 1HB LEU 38 4.172 -5.172 8.867 256 HB3 LEU 38 2HB LEU 38 3.827 -6.101 10.311 257 HG LEU 38 HG LEU 38 4.190 -3.784 10.905 258 HD11 LEU 38 1HD1 LEU 38 4.924 -5.474 12.497 259 HD12 LEU 38 2HD1 LEU 38 5.954 -4.046 12.576 260 HD13 LEU 38 3HD1 LEU 38 6.524 -5.500 11.756 261 HD21 LEU 38 1HD2 LEU 38 5.572 -3.075 9.031 262 HD22 LEU 38 2HD2 LEU 38 6.912 -4.061 9.616 263 HD23 LEU 38 3HD2 LEU 38 6.358 -2.677 10.558 264 H GLY 39 H GLY 39 5.776 -7.651 7.113 265 HA2 GLY 39 1HA GLY 39 5.142 -9.600 6.122 266 HA3 GLY 39 2HA GLY 39 5.365 -10.342 7.695 267 H LEU 40 H LEU 40 3.005 -7.832 7.487 268 HA LEU 40 HA LEU 40 0.852 -9.823 7.533 269 HB2 LEU 40 1HB LEU 40 0.833 -8.145 9.309 270 HB3 LEU 40 2HB LEU 40 0.807 -6.856 8.120 271 HG LEU 40 HG LEU 40 -1.431 -7.536 7.390 272 HD11 LEU 40 1HD1 LEU 40 -2.695 -9.250 8.559 273 HD12 LEU 40 2HD1 LEU 40 -1.288 -9.634 9.556 274 HD13 LEU 40 3HD1 LEU 40 -1.249 -9.942 7.820 275 HD21 LEU 40 1HD2 LEU 40 -1.241 -5.915 9.189 276 HD22 LEU 40 2HD2 LEU 40 -1.219 -7.217 10.381 277 HD23 LEU 40 3HD2 LEU 40 -2.666 -6.930 9.409 278 H VAL 41 H VAL 41 2.150 -7.198 5.648 279 HA VAL 41 HA VAL 41 0.053 -6.815 3.813 280 HB VAL 41 HB VAL 41 3.028 -6.508 3.294 281 HG11 VAL 41 1HG1 VAL 41 1.741 -6.437 1.233 282 HG12 VAL 41 2HG1 VAL 41 2.329 -4.821 1.627 283 HG13 VAL 41 3HG1 VAL 41 0.642 -5.243 1.930 284 HG21 VAL 41 1HG2 VAL 41 1.057 -4.499 4.405 285 HG22 VAL 41 2HG2 VAL 41 2.725 -4.152 3.951 286 HG23 VAL 41 3HG2 VAL 41 2.387 -5.255 5.285 287 H TYR 42 H TYR 42 2.135 -9.418 4.309 288 HA TYR 42 HA TYR 42 2.397 -10.615 1.811 289 HB2 TYR 42 2HB TYR 42 3.559 -11.431 3.794 290 HB3 TYR 42 1HB TYR 42 2.033 -11.850 4.559 291 HD1 TYR 42 1HD TYR 42 1.063 -13.978 4.224 292 HD2 TYR 42 2HD TYR 42 4.252 -12.712 1.694 293 HE1 TYR 42 1HE TYR 42 1.220 -16.246 3.294 294 HE2 TYR 42 2HE TYR 42 4.411 -14.981 0.760 295 HH TYR 42 HH TYR 42 3.839 -17.240 1.282 296 H GLY 43 H GLY 43 -0.325 -10.369 3.975 297 HA2 GLY 43 1HA GLY 43 -1.975 -12.185 2.405 298 HA3 GLY 43 2HA GLY 43 -2.457 -11.317 3.856 299 H LEU 44 H LEU 44 -2.116 -11.146 0.394 300 HA LEU 44 HA LEU 44 -4.049 -8.957 0.381 301 HB2 LEU 44 1HB LEU 44 -2.878 -7.616 -1.178 302 HB3 LEU 44 2HB LEU 44 -1.751 -7.970 0.114 303 HG LEU 44 HG LEU 44 -1.776 -9.394 -2.557 304 HD11 LEU 44 1HD1 LEU 44 -1.231 -7.037 -2.840 305 HD12 LEU 44 2HD1 LEU 44 0.187 -8.049 -3.104 306 HD13 LEU 44 3HD1 LEU 44 0.009 -7.159 -1.591 307 HD21 LEU 44 1HD2 LEU 44 -0.797 -10.747 -0.795 308 HD22 LEU 44 2HD2 LEU 44 0.234 -9.406 -0.299 309 HD23 LEU 44 3HD2 LEU 44 0.467 -10.165 -1.876 310 H ASP 45 H ASP 45 -5.077 -8.690 -1.719 311 HA ASP 45 HA ASP 45 -4.877 -10.842 -3.638 312 HB2 ASP 45 1HB ASP 45 -6.321 -11.922 -2.004 313 HB3 ASP 45 2HB ASP 45 -7.354 -10.498 -1.920 314 H VAL 46 H VAL 46 -5.168 -9.934 -5.568 315 HA VAL 46 HA VAL 46 -6.597 -7.370 -5.688 316 HB VAL 46 HB VAL 46 -4.309 -7.182 -6.449 317 HG11 VAL 46 1HG1 VAL 46 -3.875 -9.497 -7.044 318 HG12 VAL 46 2HG1 VAL 46 -3.460 -8.426 -8.381 319 HG13 VAL 46 3HG1 VAL 46 -4.954 -9.362 -8.431 320 HG21 VAL 46 1HG2 VAL 46 -4.668 -6.295 -8.703 321 HG22 VAL 46 2HG2 VAL 46 -5.983 -5.843 -7.618 322 HG23 VAL 46 3HG2 VAL 46 -6.214 -7.138 -8.793 323 H GLN 47 H GLN 47 -8.528 -7.330 -6.577 324 HA GLN 47 HA GLN 47 -9.452 -9.629 -8.143 325 HB2 GLN 47 1HB GLN 47 -11.039 -7.311 -6.997 326 HB3 GLN 47 2HB GLN 47 -11.702 -8.768 -7.725 327 HG2 GLN 47 1HG GLN 47 -10.704 -10.093 -5.893 328 HG3 GLN 47 2HG GLN 47 -10.141 -8.592 -5.151 329 HE21 GLN 47 1HE2 GLN 47 -13.282 -7.668 -3.888 330 HE22 GLN 47 2HE2 GLN 47 -11.688 -7.141 -4.296 331 H ASP 48 H ASP 48 -9.420 -9.467 -10.294 332 HA ASP 48 HA ASP 48 -9.387 -6.825 -11.546 333 HB2 ASP 48 1HB ASP 48 -8.798 -8.068 -13.630 334 HB3 ASP 48 2HB ASP 48 -7.646 -8.291 -12.329 335 H GLY 49 H GLY 49 -11.513 -6.295 -11.154 336 HA2 GLY 49 1HA GLY 49 -13.600 -7.970 -12.378 337 HA3 GLY 49 2HA GLY 49 -13.863 -6.692 -11.200 338 H ASP 50 H ASP 50 -15.358 -6.868 -13.510 339 HA ASP 50 HA ASP 50 -14.514 -5.425 -15.728 340 HB2 ASP 50 1HB ASP 50 -16.601 -6.632 -15.778 341 HB3 ASP 50 2HB ASP 50 -17.260 -5.653 -14.472 342 H GLU 51 H GLU 51 -15.854 -4.294 -12.676 343 HA GLU 51 HA GLU 51 -16.127 -1.579 -13.425 344 HB2 GLU 51 1HB GLU 51 -17.321 -2.673 -11.519 345 HB3 GLU 51 2HB GLU 51 -15.801 -2.734 -10.639 346 HG2 GLU 51 1HG GLU 51 -17.258 -0.866 -9.947 347 HG3 GLU 51 2HG GLU 51 -15.687 -0.334 -10.550 348 H GLY 52 H GLY 52 -13.468 -3.473 -12.163 349 HA2 GLY 52 1HA GLY 52 -11.420 -1.923 -13.039 350 HA3 GLY 52 2HA GLY 52 -11.835 -1.194 -11.494 351 H THR 53 H THR 53 -9.365 -2.485 -12.236 352 HA THR 53 HA THR 53 -9.289 -4.977 -10.753 353 HB THR 53 HB THR 53 -6.944 -3.366 -11.769 354 HG1 THR 53 1HG THR 53 -7.531 -3.922 -13.726 355 HG21 THR 53 1HG2 THR 53 -6.358 -5.178 -10.235 356 HG22 THR 53 2HG2 THR 53 -5.837 -5.570 -11.873 357 HG23 THR 53 3HG2 THR 53 -7.289 -6.318 -11.208 358 H VAL 54 H VAL 54 -9.544 -4.730 -8.609 359 HA VAL 54 HA VAL 54 -8.234 -2.467 -7.248 360 HB VAL 54 HB VAL 54 -10.583 -4.125 -6.288 361 HG11 VAL 54 1HG1 VAL 54 -10.785 -2.391 -4.532 362 HG12 VAL 54 2HG1 VAL 54 -9.284 -1.662 -5.104 363 HG13 VAL 54 3HG1 VAL 54 -9.272 -3.287 -4.424 364 HG21 VAL 54 1HG2 VAL 54 -11.225 -2.737 -8.174 365 HG22 VAL 54 2HG2 VAL 54 -10.493 -1.320 -7.419 366 HG23 VAL 54 3HG2 VAL 54 -11.911 -2.077 -6.690 367 H ALA 55 H ALA 55 -6.629 -2.844 -5.890 368 HA ALA 55 HA ALA 55 -5.909 -5.611 -5.251 369 HB1 ALA 55 1HB ALA 55 -4.363 -3.045 -4.834 370 HB2 ALA 55 2HB ALA 55 -4.187 -4.147 -6.199 371 HB3 ALA 55 3HB ALA 55 -3.755 -4.680 -4.574 372 H LEU 56 H LEU 56 -6.935 -6.355 -3.482 373 HA LEU 56 HA LEU 56 -7.494 -4.695 -1.177 374 HB2 LEU 56 1HB LEU 56 -7.737 -7.699 -1.459 375 HB3 LEU 56 2HB LEU 56 -8.482 -6.697 -0.224 376 HG LEU 56 HG LEU 56 -9.145 -6.584 -3.171 377 HD11 LEU 56 1HD1 LEU 56 -9.838 -8.704 -2.220 378 HD12 LEU 56 2HD1 LEU 56 -11.242 -7.687 -2.542 379 HD13 LEU 56 3HD1 LEU 56 -10.645 -7.868 -0.892 380 HD21 LEU 56 1HD2 LEU 56 -11.074 -5.233 -2.438 381 HD22 LEU 56 2HD2 LEU 56 -9.538 -4.452 -2.056 382 HD23 LEU 56 3HD2 LEU 56 -10.455 -5.263 -0.785 383 H ILE 57 H ILE 57 -6.258 -4.552 0.640 384 HA ILE 57 HA ILE 57 -3.945 -6.381 0.880 385 HB ILE 57 HB ILE 57 -3.824 -3.409 1.470 386 HG12 ILE 57 1HG1 ILE 57 -2.680 -4.916 -0.907 387 HG13 ILE 57 2HG1 ILE 57 -4.058 -3.821 -0.963 388 HG21 ILE 57 1HG2 ILE 57 -1.636 -5.491 1.325 389 HG22 ILE 57 2HG2 ILE 57 -2.310 -4.808 2.805 390 HG23 ILE 57 3HG2 ILE 57 -1.423 -3.775 1.685 391 HD11 ILE 57 1HD1 ILE 57 -1.227 -3.074 -0.265 392 HD12 ILE 57 2HD1 ILE 57 -2.603 -1.969 -0.295 393 HD13 ILE 57 3HD1 ILE 57 -2.056 -2.739 -1.783 394 H ASP 58 H ASP 58 -3.750 -7.296 2.837 395 HA ASP 58 HA ASP 58 -5.450 -6.385 5.033 396 HB2 ASP 58 1HB ASP 58 -5.333 -8.800 4.491 397 HB3 ASP 58 2HB ASP 58 -3.606 -8.789 4.816 398 H MET 59 H MET 59 -4.684 -4.888 6.414 399 HA MET 59 HA MET 59 -1.862 -5.011 7.213 400 HB2 MET 59 1HB MET 59 -3.194 -2.560 6.045 401 HB3 MET 59 2HB MET 59 -1.735 -2.477 7.014 402 HG2 MET 59 1HG MET 59 -0.542 -3.818 5.387 403 HG3 MET 59 2HG MET 59 -2.015 -3.990 4.429 404 HE1 MET 59 1HE MET 59 0.015 0.124 5.096 405 HE2 MET 59 2HE MET 59 0.665 -1.364 5.789 406 HE3 MET 59 3HE MET 59 -0.892 -0.741 6.342 407 H THR 60 H THR 60 -1.385 -3.489 8.997 408 HA THR 60 HA THR 60 -3.501 -2.258 10.464 409 HB THR 60 HB THR 60 -3.614 -4.698 11.229 410 HG1 THR 60 1HG THR 60 -4.361 -3.872 13.021 411 HG21 THR 60 1HG2 THR 60 -1.196 -5.162 11.265 412 HG22 THR 60 2HG2 THR 60 -1.927 -5.440 12.845 413 HG23 THR 60 3HG2 THR 60 -0.990 -3.977 12.554 414 H LEU 61 H LEU 61 -2.572 -1.038 12.324 415 HA LEU 61 HA LEU 61 0.112 -0.130 11.637 416 HB2 LEU 61 1HB LEU 61 -1.895 0.969 13.618 417 HB3 LEU 61 2HB LEU 61 -0.334 1.688 13.275 418 HG LEU 61 HG LEU 61 -1.925 2.970 12.077 419 HD11 LEU 61 1HD1 LEU 61 0.102 2.419 10.797 420 HD12 LEU 61 2HD1 LEU 61 -1.297 2.707 9.763 421 HD13 LEU 61 3HD1 LEU 61 -0.748 1.057 10.062 422 HD21 LEU 61 1HD2 LEU 61 -3.576 2.031 10.544 423 HD22 LEU 61 2HD2 LEU 61 -3.807 1.427 12.185 424 HD23 LEU 61 3HD2 LEU 61 -3.050 0.400 10.965 425 H THR 62 H THR 62 1.704 0.245 13.381 426 HA THR 62 HA THR 62 2.585 -2.078 14.446 427 HB THR 62 HB THR 62 3.058 0.604 15.770 428 HG1 THR 62 1HG THR 62 4.483 -0.530 13.571 429 HG21 THR 62 1HG2 THR 62 5.279 -0.338 16.266 430 HG22 THR 62 2HG2 THR 62 4.799 -1.863 15.521 431 HG23 THR 62 3HG2 THR 62 3.996 -1.307 16.991 432 H SER 63 H SER 63 0.824 0.395 16.335 433 HA SER 63 HA SER 63 0.160 -1.693 18.309 434 HB2 SER 63 1HB SER 63 0.317 1.312 18.687 435 HB3 SER 63 2HB SER 63 -0.065 0.132 19.944 436 HG SER 63 HG SER 63 2.248 0.938 19.600 437 H ALA 64 H ALA 64 -1.151 -0.567 15.717 438 HA ALA 64 HA ALA 64 -3.240 -0.384 14.863 439 HB1 ALA 64 1HB ALA 64 -3.514 -2.532 16.010 440 HB2 ALA 64 2HB ALA 64 -5.021 -1.618 15.967 441 HB3 ALA 64 3HB ALA 64 -4.073 -1.688 17.454 442 H ALA 65 H ALA 65 -2.259 1.615 17.146 443 HA ALA 65 HA ALA 65 -4.837 3.043 17.355 444 HB1 ALA 65 1HB ALA 65 -4.044 2.250 19.540 445 HB2 ALA 65 2HB ALA 65 -4.028 4.012 19.453 446 HB3 ALA 65 3HB ALA 65 -2.521 3.107 19.300 447 H CYS 66 H CYS 66 -2.339 3.035 15.490 448 HA CYS 66 HA CYS 66 -1.395 5.777 15.804 449 HB2 CYS 66 2HB CYS 66 -0.538 3.799 13.685 450 HB3 CYS 66 1HB CYS 66 0.352 5.190 14.300 451 HG CYS 66 HG CYS 66 0.723 4.014 16.858 452 HA PRO 67 HA PRO 67 -4.303 7.092 12.612 453 HB2 PRO 67 2HB PRO 67 -3.589 9.687 12.492 454 HB3 PRO 67 1HB PRO 67 -4.454 9.029 13.890 455 HG2 PRO 67 2HG PRO 67 -1.515 9.560 13.564 456 HG3 PRO 67 1HG PRO 67 -2.572 9.948 14.935 457 HD2 PRO 67 2HD PRO 67 -0.945 7.760 14.885 458 HD3 PRO 67 1HD PRO 67 -2.483 7.803 15.772 459 H LEU 68 H LEU 68 -1.800 5.781 11.857 460 HA LEU 68 HA LEU 68 -0.533 7.401 9.821 461 HB2 LEU 68 1HB LEU 68 0.299 5.337 11.436 462 HB3 LEU 68 2HB LEU 68 0.033 4.497 9.926 463 HG LEU 68 HG LEU 68 1.859 6.890 10.258 464 HD11 LEU 68 1HD1 LEU 68 2.708 4.986 11.509 465 HD12 LEU 68 2HD1 LEU 68 3.696 5.276 10.078 466 HD13 LEU 68 3HD1 LEU 68 2.532 3.950 10.090 467 HD21 LEU 68 1HD2 LEU 68 0.997 6.667 7.990 468 HD22 LEU 68 2HD2 LEU 68 1.495 4.976 7.947 469 HD23 LEU 68 3HD2 LEU 68 2.709 6.253 8.049 470 H THR 69 H THR 69 -3.285 5.512 10.035 471 HA THR 69 HA THR 69 -3.387 3.920 7.791 472 HB THR 69 HB THR 69 -5.097 3.837 9.501 473 HG1 THR 69 1HG THR 69 -5.987 4.372 6.860 474 HG21 THR 69 1HG2 THR 69 -6.108 6.486 8.464 475 HG22 THR 69 2HG2 THR 69 -5.269 6.245 9.995 476 HG23 THR 69 3HG2 THR 69 -6.848 5.504 9.729 477 H ASP 70 H ASP 70 -4.510 7.320 7.990 478 HA ASP 70 HA ASP 70 -5.346 7.574 5.340 479 HB2 ASP 70 1HB ASP 70 -4.121 9.788 7.013 480 HB3 ASP 70 2HB ASP 70 -5.263 9.969 5.686 481 H VAL 71 H VAL 71 -2.184 7.841 6.794 482 HA VAL 71 HA VAL 71 -0.924 9.149 4.600 483 HB VAL 71 HB VAL 71 0.366 7.528 6.809 484 HG11 VAL 71 1HG1 VAL 71 1.895 7.897 4.975 485 HG12 VAL 71 2HG1 VAL 71 2.354 8.919 6.336 486 HG13 VAL 71 3HG1 VAL 71 1.511 9.618 4.954 487 HG21 VAL 71 1HG2 VAL 71 0.679 9.667 7.971 488 HG22 VAL 71 2HG2 VAL 71 -1.031 9.301 7.740 489 HG23 VAL 71 3HG2 VAL 71 -0.236 10.489 6.706 490 H ILE 72 H ILE 72 -0.851 5.728 5.755 491 HA ILE 72 HA ILE 72 0.819 4.797 3.669 492 HB ILE 72 HB ILE 72 -1.242 2.871 4.584 493 HG12 ILE 72 1HG1 ILE 72 0.641 4.245 6.502 494 HG13 ILE 72 2HG1 ILE 72 -1.097 3.987 6.652 495 HG21 ILE 72 1HG2 ILE 72 0.705 1.417 4.807 496 HG22 ILE 72 2HG2 ILE 72 1.780 2.779 4.510 497 HG23 ILE 72 3HG2 ILE 72 0.700 2.213 3.236 498 HD11 ILE 72 1HD1 ILE 72 0.129 2.555 8.162 499 HD12 ILE 72 2HD1 ILE 72 1.028 1.863 6.813 500 HD13 ILE 72 3HD1 ILE 72 -0.710 1.594 6.945 501 H GLU 73 H GLU 73 -2.682 5.047 3.982 502 HA GLU 73 HA GLU 73 -3.359 3.733 1.594 503 HB2 GLU 73 1HB GLU 73 -4.867 5.906 3.064 504 HB3 GLU 73 2HB GLU 73 -5.541 4.855 1.822 505 HG2 GLU 73 1HG GLU 73 -4.779 2.923 3.387 506 HG3 GLU 73 2HG GLU 73 -4.692 4.181 4.612 507 H ASP 74 H ASP 74 -3.041 7.242 2.249 508 HA ASP 74 HA ASP 74 -3.634 8.101 -0.345 509 HB2 ASP 74 1HB ASP 74 -3.537 9.674 1.511 510 HB3 ASP 74 2HB ASP 74 -1.815 9.373 1.723 511 H GLN 75 H GLN 75 -0.460 7.455 1.128 512 HA GLN 75 HA GLN 75 1.143 8.119 -1.048 513 HB2 GLN 75 1HB GLN 75 1.589 6.036 1.101 514 HB3 GLN 75 2HB GLN 75 2.829 6.572 -0.024 515 HG2 GLN 75 1HG GLN 75 2.751 8.802 0.861 516 HG3 GLN 75 2HG GLN 75 1.384 8.388 1.896 517 HE21 GLN 75 1HE2 GLN 75 4.723 8.271 3.671 518 HE22 GLN 75 2HE2 GLN 75 4.051 9.405 2.554 519 H SER 76 H SER 76 0.057 4.856 -0.097 520 HA SER 76 HA SER 76 1.161 3.583 -2.369 521 HB2 SER 76 1HB SER 76 0.672 2.377 -0.287 522 HB3 SER 76 2HB SER 76 -1.054 2.652 -0.514 523 HG SER 76 HG SER 76 0.179 0.586 -1.310 524 H ARG 77 H ARG 77 -2.223 4.410 -1.587 525 HA ARG 77 HA ARG 77 -3.417 3.339 -3.858 526 HB2 ARG 77 1HB ARG 77 -4.473 4.218 -1.708 527 HB3 ARG 77 2HB ARG 77 -4.363 5.820 -2.415 528 HG2 ARG 77 1HG ARG 77 -5.858 5.185 -4.197 529 HG3 ARG 77 2HG ARG 77 -5.884 3.514 -3.619 530 HD2 ARG 77 1HD ARG 77 -6.777 4.412 -1.430 531 HD3 ARG 77 2HD ARG 77 -6.973 5.966 -2.240 532 HE ARG 77 HE ARG 77 -8.303 4.298 -3.875 533 HH11 ARG 77 1HH1 ARG 77 -8.424 4.737 -0.401 534 HH12 ARG 77 2HH1 ARG 77 -10.104 4.318 -0.282 535 HH21 ARG 77 1HH2 ARG 77 -10.491 3.727 -3.717 536 HH22 ARG 77 2HH2 ARG 77 -11.285 3.756 -2.168 537 H SER 78 H SER 78 -2.375 6.697 -3.276 538 HA SER 78 HA SER 78 -3.285 7.688 -5.760 539 HB2 SER 78 1HB SER 78 -2.850 9.112 -3.762 540 HB3 SER 78 2HB SER 78 -1.121 8.850 -3.979 541 HG SER 78 HG SER 78 -1.358 9.831 -6.077 542 H ALA 79 H ALA 79 -0.213 6.278 -4.742 543 HA ALA 79 HA ALA 79 1.193 7.036 -7.126 544 HB1 ALA 79 1HB ALA 79 1.842 4.896 -5.088 545 HB2 ALA 79 2HB ALA 79 2.393 6.570 -5.047 546 HB3 ALA 79 3HB ALA 79 2.937 5.495 -6.336 547 H LEU 80 H LEU 80 -0.244 3.991 -5.964 548 HA LEU 80 HA LEU 80 0.437 2.395 -8.138 549 HB2 LEU 80 1HB LEU 80 -1.638 2.249 -6.004 550 HB3 LEU 80 2HB LEU 80 -1.835 1.191 -7.386 551 HG LEU 80 HG LEU 80 -0.700 0.065 -5.518 552 HD11 LEU 80 1HD1 LEU 80 -0.236 -0.652 -7.811 553 HD12 LEU 80 2HD1 LEU 80 1.181 -0.849 -6.782 554 HD13 LEU 80 3HD1 LEU 80 1.094 0.503 -7.909 555 HD21 LEU 80 1HD2 LEU 80 0.436 1.969 -4.514 556 HD22 LEU 80 2HD2 LEU 80 1.470 2.128 -5.932 557 HD23 LEU 80 3HD2 LEU 80 1.595 0.700 -4.906 558 H VAL 81 H VAL 81 -2.497 4.340 -7.603 559 HA VAL 81 HA VAL 81 -3.669 3.661 -10.111 560 HB VAL 81 HB VAL 81 -4.957 4.604 -8.189 561 HG11 VAL 81 1HG1 VAL 81 -4.998 7.035 -7.849 562 HG12 VAL 81 2HG1 VAL 81 -3.667 7.213 -8.993 563 HG13 VAL 81 3HG1 VAL 81 -3.417 6.345 -7.478 564 HG21 VAL 81 1HG2 VAL 81 -6.458 5.995 -9.551 565 HG22 VAL 81 2HG2 VAL 81 -5.930 4.559 -10.426 566 HG23 VAL 81 3HG2 VAL 81 -5.207 6.127 -10.790 567 H GLY 82 H GLY 82 -1.213 5.938 -9.150 568 HA2 GLY 82 1HA GLY 82 -1.558 7.659 -11.474 569 HA3 GLY 82 2HA GLY 82 -0.330 7.812 -10.225 570 H SER 83 H SER 83 0.315 4.918 -10.550 571 HA SER 83 HA SER 83 2.126 5.192 -12.827 572 HB2 SER 83 1HB SER 83 1.997 3.059 -10.673 573 HB3 SER 83 2HB SER 83 3.291 3.268 -11.854 574 HG SER 83 HG SER 83 3.866 5.174 -10.877 575 H GLY 84 H GLY 84 -0.867 3.830 -12.060 576 HA2 GLY 84 1HA GLY 84 -2.350 2.692 -13.395 577 HA3 GLY 84 2HA GLY 84 -1.167 2.775 -14.688 578 H LEU 85 H LEU 85 -0.026 1.365 -11.783 579 HA LEU 85 HA LEU 85 0.368 -1.181 -12.982 580 HB2 LEU 85 1HB LEU 85 0.730 -0.061 -10.227 581 HB3 LEU 85 2HB LEU 85 0.767 -1.803 -10.434 582 HG LEU 85 HG LEU 85 2.676 -1.661 -11.907 583 HD11 LEU 85 1HD1 LEU 85 3.774 0.502 -12.386 584 HD12 LEU 85 2HD1 LEU 85 2.391 1.332 -11.671 585 HD13 LEU 85 3HD1 LEU 85 2.177 0.357 -13.123 586 HD21 LEU 85 1HD2 LEU 85 4.351 -0.774 -10.384 587 HD22 LEU 85 2HD2 LEU 85 3.116 -1.661 -9.495 588 HD23 LEU 85 3HD2 LEU 85 3.105 0.102 -9.492 589 H VAL 86 H VAL 86 -2.072 0.173 -10.888 590 HA VAL 86 HA VAL 86 -3.859 -2.041 -11.556 591 HB VAL 86 HB VAL 86 -4.778 -2.089 -9.230 592 HG11 VAL 86 1HG1 VAL 86 -3.274 -3.852 -9.959 593 HG12 VAL 86 2HG1 VAL 86 -3.023 -3.492 -8.252 594 HG13 VAL 86 3HG1 VAL 86 -1.878 -2.897 -9.456 595 HG21 VAL 86 1HG2 VAL 86 -2.291 -0.527 -8.522 596 HG22 VAL 86 2HG2 VAL 86 -3.449 -1.208 -7.376 597 HG23 VAL 86 3HG2 VAL 86 -3.945 0.083 -8.470 598 H ASP 87 H ASP 87 -6.160 -1.394 -10.662 599 HA ASP 87 HA ASP 87 -6.764 1.191 -11.785 600 HB2 ASP 87 1HB ASP 87 -8.284 -0.670 -12.199 601 HB3 ASP 87 2HB ASP 87 -8.536 -0.887 -10.471 602 H ASP 88 H ASP 88 -7.143 -0.335 -8.605 603 HA ASP 88 HA ASP 88 -6.472 2.034 -7.173 604 HB2 ASP 88 1HB ASP 88 -8.833 2.555 -7.909 605 HB3 ASP 88 2HB ASP 88 -9.376 1.150 -6.998 606 H ILE 89 H ILE 89 -6.898 1.590 -4.704 607 HA ILE 89 HA ILE 89 -6.641 -1.315 -4.234 608 HB ILE 89 HB ILE 89 -4.925 -1.021 -2.621 609 HG12 ILE 89 1HG1 ILE 89 -5.127 1.982 -3.001 610 HG13 ILE 89 2HG1 ILE 89 -5.808 1.103 -1.638 611 HG21 ILE 89 1HG2 ILE 89 -4.155 -1.040 -4.941 612 HG22 ILE 89 2HG2 ILE 89 -3.092 -0.071 -3.923 613 HG23 ILE 89 3HG2 ILE 89 -4.247 0.723 -4.993 614 HD11 ILE 89 1HD1 ILE 89 -3.567 0.379 -0.984 615 HD12 ILE 89 2HD1 ILE 89 -3.705 2.137 -1.036 616 HD13 ILE 89 3HD1 ILE 89 -2.884 1.278 -2.339 617 H ARG 90 H ARG 90 -6.991 -1.904 -1.931 618 HA ARG 90 HA ARG 90 -8.567 -0.078 -0.318 619 HB2 ARG 90 1HB ARG 90 -10.292 -1.004 -1.759 620 HB3 ARG 90 2HB ARG 90 -9.747 -2.641 -1.419 621 HG2 ARG 90 1HG ARG 90 -10.596 -2.606 0.754 622 HG3 ARG 90 2HG ARG 90 -10.687 -0.845 0.791 623 HD2 ARG 90 1HD ARG 90 -12.374 -2.579 -1.013 624 HD3 ARG 90 2HD ARG 90 -12.897 -2.011 0.574 625 HE ARG 90 HE ARG 90 -12.017 0.036 -1.297 626 HH11 ARG 90 1HH1 ARG 90 -14.726 -1.703 0.083 627 HH12 ARG 90 2HH1 ARG 90 -15.892 -0.496 -0.353 628 HH21 ARG 90 1HH2 ARG 90 -13.536 1.635 -1.847 629 HH22 ARG 90 2HH2 ARG 90 -15.212 1.404 -1.455 630 H ILE 91 H ILE 91 -7.662 -0.264 1.590 631 HA ILE 91 HA ILE 91 -6.316 -2.767 2.329 632 HB ILE 91 HB ILE 91 -6.036 0.012 3.504 633 HG12 ILE 91 1HG1 ILE 91 -4.155 -1.536 1.692 634 HG13 ILE 91 2HG1 ILE 91 -5.149 -0.169 1.198 635 HG21 ILE 91 1HG2 ILE 91 -4.457 -2.504 4.057 636 HG22 ILE 91 2HG2 ILE 91 -5.573 -1.706 5.164 637 HG23 ILE 91 3HG2 ILE 91 -4.078 -0.901 4.686 638 HD11 ILE 91 1HD1 ILE 91 -3.912 1.283 2.718 639 HD12 ILE 91 2HD1 ILE 91 -2.842 0.490 1.562 640 HD13 ILE 91 3HD1 ILE 91 -2.923 -0.088 3.227 641 H ASN 92 H ASN 92 -7.247 -4.048 3.805 642 HA ASN 92 HA ASN 92 -9.294 -2.933 5.581 643 HB2 ASN 92 1HB ASN 92 -9.726 -5.326 6.206 644 HB3 ASN 92 2HB ASN 92 -9.987 -4.973 4.503 645 HD21 ASN 92 1HD2 ASN 92 -7.054 -7.532 5.675 646 HD22 ASN 92 2HD2 ASN 92 -7.847 -6.502 6.807 647 H TRP 93 H TRP 93 -8.789 -2.339 7.560 648 HA TRP 93 HA TRP 93 -6.163 -2.997 8.637 649 HB2 TRP 93 2HB TRP 93 -8.303 -1.112 9.672 650 HB3 TRP 93 1HB TRP 93 -6.677 -1.271 10.327 651 HD1 TRP 93 1HD TRP 93 -8.619 0.682 7.829 652 HE1 TRP 93 1HE TRP 93 -7.034 2.139 6.402 653 HE3 TRP 93 3HE TRP 93 -4.153 -1.427 9.138 654 HZ2 TRP 93 2HZ TRP 93 -4.284 2.346 5.892 655 HZ3 TRP 93 3HZ TRP 93 -2.092 -0.542 8.139 656 HH2 TRP 93 2HH TRP 93 -2.159 1.306 6.547 657 H VAL 94 H VAL 94 -6.070 -4.923 9.649 658 HA VAL 94 HA VAL 94 -8.393 -5.882 11.135 659 HB VAL 94 HB VAL 94 -7.038 -7.979 11.449 660 HG11 VAL 94 1HG1 VAL 94 -8.730 -7.764 9.704 661 HG12 VAL 94 2HG1 VAL 94 -7.375 -8.747 9.153 662 HG13 VAL 94 3HG1 VAL 94 -7.529 -7.076 8.609 663 HG21 VAL 94 1HG2 VAL 94 -5.073 -8.319 10.019 664 HG22 VAL 94 2HG2 VAL 94 -4.794 -7.014 11.177 665 HG23 VAL 94 3HG2 VAL 94 -5.158 -6.637 9.493 666 H TRP 95 H TRP 95 -8.621 -5.599 13.210 667 HA TRP 95 HA TRP 95 -6.261 -5.138 14.914 668 HB2 TRP 95 2HB TRP 95 -9.132 -4.468 15.608 669 HB3 TRP 95 1HB TRP 95 -7.662 -3.877 16.381 670 HD1 TRP 95 1HD TRP 95 -6.057 -2.313 14.615 671 HE1 TRP 95 1HE TRP 95 -6.865 -0.474 13.006 672 HE3 TRP 95 3HE TRP 95 -10.972 -3.661 14.244 673 HZ2 TRP 95 2HZ TRP 95 -9.265 0.299 11.742 674 HZ3 TRP 95 3HZ TRP 95 -12.460 -2.322 12.810 675 HH2 TRP 95 2HH TRP 95 -11.622 -0.383 11.586 676 H ASN 96 H ASN 96 -9.123 -7.035 14.395 677 HA ASN 96 HA ASN 96 -8.281 -9.164 16.072 678 HB2 ASN 96 1HB ASN 96 -9.062 -7.733 17.877 679 HB3 ASN 96 2HB ASN 96 -10.587 -7.452 17.048 680 HD21 ASN 96 1HD2 ASN 96 -11.890 -9.890 19.167 681 HD22 ASN 96 2HD2 ASN 96 -11.810 -8.214 18.746 682 HA PRO 97 HA PRO 97 -12.574 -10.160 13.995 683 HB2 PRO 97 2HB PRO 97 -13.569 -8.284 12.267 684 HB3 PRO 97 1HB PRO 97 -14.022 -8.370 13.973 685 HG2 PRO 97 2HG PRO 97 -11.997 -6.604 12.639 686 HG3 PRO 97 1HG PRO 97 -13.220 -6.182 13.854 687 HD2 PRO 97 2HD PRO 97 -10.646 -6.577 14.522 688 HD3 PRO 97 1HD PRO 97 -11.972 -7.063 15.600 689 HA PRO 98 HA PRO 98 -10.032 -11.292 10.506 690 HB2 PRO 98 2HB PRO 98 -11.365 -13.495 9.730 691 HB3 PRO 98 1HB PRO 98 -10.445 -13.452 11.241 692 HG2 PRO 98 2HG PRO 98 -13.397 -13.104 10.818 693 HG3 PRO 98 1HG PRO 98 -12.554 -14.084 12.033 694 HD2 PRO 98 2HD PRO 98 -13.566 -11.604 12.560 695 HD3 PRO 98 1HD PRO 98 -12.144 -12.267 13.394 696 H TRP 99 H TRP 99 -10.821 -9.257 9.463 697 HA TRP 99 HA TRP 99 -11.361 -8.224 7.521 698 HB2 TRP 99 2HB TRP 99 -11.606 -10.950 6.249 699 HB3 TRP 99 1HB TRP 99 -11.045 -9.448 5.519 700 HD1 TRP 99 1HD TRP 99 -8.617 -8.499 6.790 701 HE1 TRP 99 1HE TRP 99 -6.552 -9.888 7.386 702 HE3 TRP 99 3HE TRP 99 -10.746 -13.150 6.742 703 HZ2 TRP 99 2HZ TRP 99 -5.896 -12.608 7.767 704 HZ3 TRP 99 3HZ TRP 99 -9.325 -15.098 7.228 705 HH2 TRP 99 2HH TRP 99 -6.950 -14.836 7.728 706 H GLY 100 H GLY 100 -13.320 -7.286 7.929 707 HA2 GLY 100 1HA GLY 100 -15.625 -8.556 6.638 708 HA3 GLY 100 2HA GLY 100 -15.794 -8.090 8.328 709 HA PRO 101 HA PRO 101 -17.080 -4.121 6.587 710 HB2 PRO 101 2HB PRO 101 -17.213 -2.792 8.989 711 HB3 PRO 101 1HB PRO 101 -18.506 -3.826 8.373 712 HG2 PRO 101 2HG PRO 101 -16.371 -4.457 10.381 713 HG3 PRO 101 1HG PRO 101 -18.094 -4.883 10.406 714 HD2 PRO 101 2HD PRO 101 -16.192 -6.658 9.688 715 HD3 PRO 101 1HD PRO 101 -17.806 -6.659 8.944 716 H ASP 102 H ASP 102 -14.368 -4.970 8.468 717 HA ASP 102 HA ASP 102 -12.891 -2.607 8.654 718 HB2 ASP 102 1HB ASP 102 -11.601 -5.278 8.076 719 HB3 ASP 102 2HB ASP 102 -11.020 -3.981 9.115 720 H LYS 103 H LYS 103 -13.775 -4.440 5.927 721 HA LYS 103 HA LYS 103 -11.533 -3.838 4.248 722 HB2 LYS 103 1HB LYS 103 -14.301 -4.904 3.682 723 HB3 LYS 103 2HB LYS 103 -13.095 -4.666 2.425 724 HG2 LYS 103 1HG LYS 103 -11.618 -6.272 3.612 725 HG3 LYS 103 2HG LYS 103 -12.923 -6.553 4.771 726 HD2 LYS 103 1HD LYS 103 -14.390 -7.280 2.919 727 HD3 LYS 103 2HD LYS 103 -13.059 -7.036 1.787 728 HE2 LYS 103 1HE LYS 103 -11.755 -8.745 2.999 729 HE3 LYS 103 2HE LYS 103 -13.131 -9.010 4.073 730 HZ1 LYS 103 1HZ LYS 103 -13.081 -9.458 1.139 731 HZ2 LYS 103 2HZ LYS 103 -14.445 -9.646 2.117 732 HZ3 LYS 103 3HZ LYS 103 -13.105 -10.654 2.333 733 H ILE 104 H ILE 104 -14.325 -2.092 5.219 734 HA ILE 104 HA ILE 104 -14.563 -0.605 2.735 735 HB ILE 104 HB ILE 104 -16.026 -0.204 5.355 736 HG12 ILE 104 1HG1 ILE 104 -16.873 -1.632 2.811 737 HG13 ILE 104 2HG1 ILE 104 -16.460 -2.411 4.336 738 HG21 ILE 104 1HG2 ILE 104 -16.010 1.830 4.012 739 HG22 ILE 104 2HG2 ILE 104 -17.620 1.112 3.999 740 HG23 ILE 104 3HG2 ILE 104 -16.562 0.929 2.599 741 HD11 ILE 104 1HD1 ILE 104 -18.793 -0.571 3.853 742 HD12 ILE 104 2HD1 ILE 104 -18.375 -1.313 5.398 743 HD13 ILE 104 3HD1 ILE 104 -18.853 -2.323 4.034 744 H THR 105 H THR 105 -12.609 0.455 2.539 745 HA THR 105 HA THR 105 -11.421 2.110 4.460 746 HB THR 105 HB THR 105 -10.478 3.263 2.302 747 HG1 THR 105 1HG THR 105 -11.822 2.593 0.716 748 HG21 THR 105 1HG2 THR 105 -9.226 1.644 3.678 749 HG22 THR 105 2HG2 THR 105 -8.909 1.411 1.959 750 HG23 THR 105 3HG2 THR 105 -9.997 0.317 2.809 751 H GLU 106 H GLU 106 -11.319 4.503 4.438 752 HA GLU 106 HA GLU 106 -13.841 5.425 5.126 753 HB2 GLU 106 1HB GLU 106 -11.819 6.361 6.100 754 HB3 GLU 106 2HB GLU 106 -11.369 7.068 4.551 755 HG2 GLU 106 1HG GLU 106 -13.268 8.555 4.616 756 HG3 GLU 106 2HG GLU 106 -13.875 7.776 6.075 757 H ASP 107 H ASP 107 -12.268 5.671 2.005 758 HA ASP 107 HA ASP 107 -13.639 7.890 0.977 759 HB2 ASP 107 1HB ASP 107 -13.148 6.984 -1.264 760 HB3 ASP 107 2HB ASP 107 -11.741 6.911 -0.210 761 H GLY 108 H GLY 108 -14.645 4.565 1.394 762 HA2 GLY 108 1HA GLY 108 -16.985 4.567 -0.152 763 HA3 GLY 108 2HA GLY 108 -16.726 3.595 1.290 764 H ARG 109 H ARG 109 -16.434 5.617 3.183 765 HA ARG 109 HA ARG 109 -19.151 6.392 3.664 766 HB2 ARG 109 1HB ARG 109 -17.752 5.842 5.558 767 HB3 ARG 109 2HB ARG 109 -16.558 7.049 5.095 768 HG2 ARG 109 1HG ARG 109 -18.332 8.801 5.468 769 HG3 ARG 109 2HG ARG 109 -19.342 7.528 6.154 770 HD2 ARG 109 1HD ARG 109 -16.592 8.251 7.164 771 HD3 ARG 109 2HD ARG 109 -18.093 8.882 7.839 772 HE ARG 109 HE ARG 109 -18.486 6.233 7.997 773 HH11 ARG 109 1HH1 ARG 109 -15.758 8.228 8.912 774 HH12 ARG 109 2HH1 ARG 109 -15.301 7.225 10.248 775 HH21 ARG 109 1HH2 ARG 109 -17.917 4.924 9.791 776 HH22 ARG 109 2HH2 ARG 109 -16.560 5.366 10.776 777 H GLU 110 H GLU 110 -16.165 8.070 2.822 778 HA GLU 110 HA GLU 110 -16.941 10.698 3.096 779 HB2 GLU 110 1HB GLU 110 -14.627 9.898 2.656 780 HB3 GLU 110 2HB GLU 110 -15.081 9.588 0.986 781 HG2 GLU 110 1HG GLU 110 -15.562 11.984 0.692 782 HG3 GLU 110 2HG GLU 110 -15.050 12.276 2.354 783 H GLN 111 H GLN 111 -17.518 8.514 0.421 784 HA GLN 111 HA GLN 111 -18.723 10.702 -1.128 785 HB2 GLN 111 1HB GLN 111 -17.929 7.950 -2.095 786 HB3 GLN 111 2HB GLN 111 -18.329 9.357 -3.077 787 HG2 GLN 111 1HG GLN 111 -16.339 10.513 -2.069 788 HG3 GLN 111 2HG GLN 111 -15.908 8.976 -1.327 789 HE21 GLN 111 1HE2 GLN 111 -13.902 8.484 -4.136 790 HE22 GLN 111 2HE2 GLN 111 -13.971 8.857 -2.450 791 H LEU 112 H LEU 112 -19.961 9.123 1.125 792 HA LEU 112 HA LEU 112 -22.163 7.739 -0.179 793 HB2 LEU 112 1HB LEU 112 -21.135 7.053 2.044 794 HB3 LEU 112 2HB LEU 112 -21.891 8.473 2.743 795 HG LEU 112 HG LEU 112 -24.120 7.568 2.092 796 HD11 LEU 112 1HD1 LEU 112 -23.442 6.184 0.209 797 HD12 LEU 112 2HD1 LEU 112 -24.294 5.215 1.410 798 HD13 LEU 112 3HD1 LEU 112 -22.536 5.124 1.288 799 HD21 LEU 112 1HD2 LEU 112 -23.257 7.206 4.347 800 HD22 LEU 112 2HD2 LEU 112 -22.434 5.739 3.813 801 HD23 LEU 112 3HD2 LEU 112 -24.197 5.816 3.807 802 H ARG 113 H ARG 113 -24.432 8.429 0.266 803 HA ARG 113 HA ARG 113 -24.801 11.030 -0.723 804 HB2 ARG 113 1HB ARG 113 -26.406 9.194 -1.087 805 HB3 ARG 113 2HB ARG 113 -26.837 9.233 0.619 806 HG2 ARG 113 1HG ARG 113 -27.657 11.549 0.330 807 HG3 ARG 113 2HG ARG 113 -27.289 11.437 -1.393 808 HD2 ARG 113 1HD ARG 113 -29.632 11.010 -1.074 809 HD3 ARG 113 2HD ARG 113 -28.843 9.504 -1.544 810 HE ARG 113 HE ARG 113 -28.863 9.523 1.218 811 HH11 ARG 113 1HH1 ARG 113 -31.264 9.604 -1.331 812 HH12 ARG 113 2HH1 ARG 113 -32.481 8.809 -0.385 813 HH21 ARG 113 1HH2 ARG 113 -30.464 8.471 2.458 814 HH22 ARG 113 2HH2 ARG 113 -32.024 8.161 1.765 815 H ALA 114 H ALA 114 -25.392 9.735 2.535 816 HA ALA 114 HA ALA 114 -26.448 12.106 3.630 817 HB1 ALA 114 1HB ALA 114 -26.791 9.891 4.622 818 HB2 ALA 114 2HB ALA 114 -26.145 11.039 5.795 819 HB3 ALA 114 3HB ALA 114 -25.086 9.830 5.068 820 H LEU 115 H LEU 115 -23.200 11.192 2.954 821 HA LEU 115 HA LEU 115 -22.068 13.115 4.833 822 HB2 LEU 115 1HB LEU 115 -20.836 11.129 2.926 823 HB3 LEU 115 2HB LEU 115 -19.875 12.321 3.780 824 HG LEU 115 HG LEU 115 -19.735 10.213 4.939 825 HD11 LEU 115 1HD1 LEU 115 -20.494 10.861 7.168 826 HD12 LEU 115 2HD1 LEU 115 -21.486 12.138 6.466 827 HD13 LEU 115 3HD1 LEU 115 -19.728 12.209 6.326 828 HD21 LEU 115 1HD2 LEU 115 -22.747 10.290 5.150 829 HD22 LEU 115 2HD2 LEU 115 -21.684 9.103 5.910 830 HD23 LEU 115 3HD2 LEU 115 -21.801 9.184 4.153 831 H GLY 116 H GLY 116 -23.473 13.310 1.897 832 HA2 GLY 116 1HA GLY 116 -21.609 15.071 0.559 833 HA3 GLY 116 2HA GLY 116 -23.236 14.662 0.034 834 H PHE 117 H PHE 117 -21.667 16.377 2.735 835 HA PHE 117 HA PHE 117 -23.235 18.751 2.162 836 HB2 PHE 117 2HB PHE 117 -24.718 17.487 3.668 837 HB3 PHE 117 1HB PHE 117 -23.416 17.340 4.844 838 HD1 PHE 117 1HD PHE 117 -25.443 19.891 3.035 839 HD2 PHE 117 2HD PHE 117 -23.203 18.938 6.532 840 HE1 PHE 117 1HE PHE 117 -26.149 22.008 4.062 841 HE2 PHE 117 2HE PHE 117 -23.913 21.056 7.566 842 HZ PHE 117 HZ PHE 117 -25.387 22.594 6.329 843 H THR 118 H THR 118 -22.162 20.569 2.683 844 HA THR 118 HA THR 118 -20.151 20.736 4.701 845 HB THR 118 HB THR 118 -18.819 19.576 2.956 846 HG1 THR 118 1HG THR 118 -17.474 21.855 2.687 847 HG21 THR 118 1HG2 THR 118 -18.277 20.731 0.851 848 HG22 THR 118 2HG2 THR 118 -19.414 22.016 1.264 849 HG23 THR 118 3HG2 THR 118 -20.002 20.379 0.965 850 H VAL 119 H VAL 119 -18.951 22.955 4.386 851 HA VAL 119 HA VAL 119 -20.998 24.952 4.093 852 HB VAL 119 HB VAL 119 -19.429 25.238 5.898 853 HG11 VAL 119 1HG1 VAL 119 -17.506 24.064 4.970 854 HG12 VAL 119 2HG1 VAL 119 -17.043 25.661 5.558 855 HG13 VAL 119 3HG1 VAL 119 -17.237 25.381 3.827 856 HG21 VAL 119 1HG2 VAL 119 -20.304 27.283 4.899 857 HG22 VAL 119 2HG2 VAL 119 -18.950 27.331 3.771 858 HG23 VAL 119 3HG2 VAL 119 -18.664 27.536 5.499 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 15.766 -1.325 5.613 2 H2 GLY 1 2H GLY 1 14.403 -1.729 4.698 3 H3 GLY 1 3H GLY 1 15.519 -0.606 4.104 4 HA2 GLY 1 1HA GLY 1 17.219 -2.313 3.967 5 HA3 GLY 1 2HA GLY 1 16.055 -3.482 4.578 6 HA PRO 2 HA PRO 2 15.782 -3.523 -0.074 7 HB2 PRO 2 2HB PRO 2 16.027 -6.432 0.198 8 HB3 PRO 2 1HB PRO 2 17.012 -5.317 -0.751 9 HG2 PRO 2 2HG PRO 2 17.956 -6.566 1.460 10 HG3 PRO 2 1HG PRO 2 18.496 -4.947 0.974 11 HD2 PRO 2 2HD PRO 2 16.495 -5.724 3.077 12 HD3 PRO 2 1HD PRO 2 17.776 -4.491 3.139 13 H GLY 3 H GLY 3 13.599 -2.861 0.611 14 HA2 GLY 3 1HA GLY 3 11.602 -4.666 1.420 15 HA3 GLY 3 2HA GLY 3 11.323 -3.135 0.604 16 H SER 4 H SER 4 11.460 -6.548 0.284 17 HA SER 4 HA SER 4 10.014 -6.548 -2.142 18 HB2 SER 4 1HB SER 4 12.238 -5.981 -3.085 19 HB3 SER 4 2HB SER 4 12.907 -7.439 -2.354 20 HG SER 4 HG SER 4 10.708 -7.536 -4.134 21 H MET 5 H MET 5 8.652 -8.023 -1.365 22 HA MET 5 HA MET 5 9.699 -10.701 -0.730 23 HB2 MET 5 1HB MET 5 7.534 -9.202 0.778 24 HB3 MET 5 2HB MET 5 7.828 -10.927 0.956 25 HG2 MET 5 1HG MET 5 8.864 -9.809 2.781 26 HG3 MET 5 2HG MET 5 10.139 -10.390 1.715 27 HE1 MET 5 1HE MET 5 10.677 -8.252 3.991 28 HE2 MET 5 2HE MET 5 11.676 -7.076 3.134 29 HE3 MET 5 3HE MET 5 11.929 -8.803 2.877 30 H SER 6 H SER 6 6.890 -8.744 -1.623 31 HA SER 6 HA SER 6 6.127 -10.112 -3.879 32 HB2 SER 6 1HB SER 6 5.716 -12.040 -2.283 33 HB3 SER 6 2HB SER 6 4.460 -11.065 -1.522 34 HG SER 6 HG SER 6 3.194 -11.337 -3.211 35 H GLU 7 H GLU 7 5.546 -8.113 -4.607 36 HA GLU 7 HA GLU 7 3.287 -6.776 -3.322 37 HB2 GLU 7 1HB GLU 7 4.522 -4.583 -3.483 38 HB3 GLU 7 2HB GLU 7 5.114 -5.688 -2.257 39 HG2 GLU 7 1HG GLU 7 6.381 -5.313 -4.969 40 HG3 GLU 7 2HG GLU 7 6.909 -4.508 -3.493 41 H THR 8 H THR 8 1.859 -6.835 -4.916 42 HA THR 8 HA THR 8 0.732 -6.012 -6.701 43 HB THR 8 HB THR 8 3.244 -4.490 -7.441 44 HG1 THR 8 1HG THR 8 2.730 -3.725 -5.462 45 HG21 THR 8 1HG2 THR 8 1.681 -2.967 -8.576 46 HG22 THR 8 2HG2 THR 8 0.335 -4.016 -8.137 47 HG23 THR 8 3HG2 THR 8 1.580 -4.597 -9.244 48 H SER 9 H SER 9 0.359 -6.580 -8.841 49 HA SER 9 HA SER 9 2.379 -8.330 -10.084 50 HB2 SER 9 1HB SER 9 0.365 -9.546 -9.235 51 HB3 SER 9 2HB SER 9 -0.645 -8.561 -10.292 52 HG SER 9 HG SER 9 -0.151 -9.839 -11.879 53 H ALA 10 H ALA 10 3.158 -7.541 -11.924 54 HA ALA 10 HA ALA 10 1.587 -6.375 -13.981 55 HB1 ALA 10 1HB ALA 10 2.526 -4.102 -13.940 56 HB2 ALA 10 2HB ALA 10 3.358 -4.471 -12.427 57 HB3 ALA 10 3HB ALA 10 1.596 -4.432 -12.478 58 HA PRO 11 HA PRO 11 4.985 -7.452 -16.668 59 HB2 PRO 11 2HB PRO 11 5.221 -4.524 -17.282 60 HB3 PRO 11 1HB PRO 11 5.193 -5.904 -18.387 61 HG2 PRO 11 2HG PRO 11 3.029 -4.368 -18.020 62 HG3 PRO 11 1HG PRO 11 2.888 -6.118 -18.272 63 HD2 PRO 11 2HD PRO 11 2.499 -4.523 -15.803 64 HD3 PRO 11 1HD PRO 11 1.809 -6.095 -16.254 65 H ALA 12 H ALA 12 6.856 -8.010 -15.734 66 HA ALA 12 HA ALA 12 7.990 -6.789 -13.521 67 HB1 ALA 12 1HB ALA 12 9.867 -8.288 -13.826 68 HB2 ALA 12 2HB ALA 12 9.393 -8.580 -15.502 69 HB3 ALA 12 3HB ALA 12 8.358 -9.129 -14.185 70 H GLU 13 H GLU 13 8.353 -5.892 -16.825 71 HA GLU 13 HA GLU 13 10.978 -4.776 -16.658 72 HB2 GLU 13 1HB GLU 13 8.746 -4.154 -18.619 73 HB3 GLU 13 2HB GLU 13 10.432 -3.696 -18.807 74 HG2 GLU 13 1HG GLU 13 10.068 -5.564 -20.200 75 HG3 GLU 13 2HG GLU 13 11.005 -6.135 -18.821 76 H GLU 14 H GLU 14 7.731 -3.303 -16.739 77 HA GLU 14 HA GLU 14 8.776 -0.718 -15.977 78 HB2 GLU 14 1HB GLU 14 6.422 0.015 -16.062 79 HB3 GLU 14 2HB GLU 14 6.919 -0.801 -17.536 80 HG2 GLU 14 1HG GLU 14 5.834 -2.878 -16.655 81 HG3 GLU 14 2HG GLU 14 5.196 -1.905 -15.329 82 H LEU 15 H LEU 15 7.282 -3.450 -14.452 83 HA LEU 15 HA LEU 15 6.197 -2.328 -12.165 84 HB2 LEU 15 1HB LEU 15 5.946 -4.694 -12.954 85 HB3 LEU 15 2HB LEU 15 7.561 -5.023 -12.366 86 HG LEU 15 HG LEU 15 5.589 -5.777 -10.915 87 HD11 LEU 15 1HD1 LEU 15 6.732 -5.303 -8.828 88 HD12 LEU 15 2HD1 LEU 15 7.675 -4.031 -9.605 89 HD13 LEU 15 3HD1 LEU 15 7.898 -5.713 -10.088 90 HD21 LEU 15 1HD2 LEU 15 4.256 -3.730 -11.106 91 HD22 LEU 15 2HD2 LEU 15 5.501 -2.835 -10.235 92 HD23 LEU 15 3HD2 LEU 15 4.609 -4.122 -9.423 93 H LEU 16 H LEU 16 9.543 -3.225 -12.859 94 HA LEU 16 HA LEU 16 10.633 -2.959 -10.304 95 HB2 LEU 16 1HB LEU 16 11.888 -3.839 -12.225 96 HB3 LEU 16 2HB LEU 16 11.880 -2.251 -12.971 97 HG LEU 16 HG LEU 16 13.263 -1.375 -11.120 98 HD11 LEU 16 1HD1 LEU 16 13.344 -4.239 -10.168 99 HD12 LEU 16 2HD1 LEU 16 12.544 -2.895 -9.353 100 HD13 LEU 16 3HD1 LEU 16 14.298 -2.902 -9.525 101 HD21 LEU 16 1HD2 LEU 16 14.415 -3.810 -12.488 102 HD22 LEU 16 2HD2 LEU 16 15.344 -2.517 -11.731 103 HD23 LEU 16 3HD2 LEU 16 14.351 -2.174 -13.145 104 H ALA 17 H ALA 17 10.309 -0.496 -12.855 105 HA ALA 17 HA ALA 17 11.377 1.631 -11.348 106 HB1 ALA 17 1HB ALA 17 9.447 1.772 -13.672 107 HB2 ALA 17 2HB ALA 17 11.201 1.647 -13.806 108 HB3 ALA 17 3HB ALA 17 10.475 3.081 -13.080 109 H ASP 18 H ASP 18 8.005 0.724 -12.061 110 HA ASP 18 HA ASP 18 6.802 2.835 -10.678 111 HB2 ASP 18 1HB ASP 18 5.789 0.103 -11.461 112 HB3 ASP 18 2HB ASP 18 4.775 1.243 -10.582 113 H VAL 19 H VAL 19 7.651 -0.433 -9.528 114 HA VAL 19 HA VAL 19 6.526 -0.040 -6.950 115 HB VAL 19 HB VAL 19 7.121 -2.304 -7.930 116 HG11 VAL 19 1HG1 VAL 19 9.369 -3.176 -7.550 117 HG12 VAL 19 2HG1 VAL 19 9.899 -1.593 -6.980 118 HG13 VAL 19 3HG1 VAL 19 9.405 -1.806 -8.661 119 HG21 VAL 19 1HG2 VAL 19 8.098 -1.677 -5.138 120 HG22 VAL 19 2HG2 VAL 19 7.671 -3.282 -5.743 121 HG23 VAL 19 3HG2 VAL 19 6.435 -2.031 -5.609 122 H GLU 20 H GLU 20 9.731 0.522 -8.340 123 HA GLU 20 HA GLU 20 11.047 1.223 -5.949 124 HB2 GLU 20 1HB GLU 20 12.198 0.745 -8.089 125 HB3 GLU 20 2HB GLU 20 11.576 2.253 -8.747 126 HG2 GLU 20 1HG GLU 20 12.858 3.536 -7.167 127 HG3 GLU 20 2HG GLU 20 13.365 2.070 -6.330 128 H GLU 21 H GLU 21 9.028 3.081 -8.161 129 HA GLU 21 HA GLU 21 9.446 5.623 -6.983 130 HB2 GLU 21 1HB GLU 21 6.976 4.614 -8.422 131 HB3 GLU 21 2HB GLU 21 7.396 6.299 -8.135 132 HG2 GLU 21 1HG GLU 21 8.916 4.358 -9.864 133 HG3 GLU 21 2HG GLU 21 7.859 5.647 -10.427 134 H ALA 22 H ALA 22 6.858 3.205 -6.542 135 HA ALA 22 HA ALA 22 5.430 4.563 -4.548 136 HB1 ALA 22 1HB ALA 22 4.510 2.648 -5.743 137 HB2 ALA 22 2HB ALA 22 4.448 2.378 -4.001 138 HB3 ALA 22 3HB ALA 22 5.685 1.581 -4.975 139 H MET 23 H MET 23 8.160 2.350 -4.345 140 HA MET 23 HA MET 23 8.265 2.002 -1.572 141 HB2 MET 23 1HB MET 23 10.399 1.880 -3.696 142 HB3 MET 23 2HB MET 23 10.765 1.575 -2.004 143 HG2 MET 23 1HG MET 23 8.758 0.046 -3.654 144 HG3 MET 23 2HG MET 23 10.398 -0.488 -3.286 145 HE1 MET 23 1HE MET 23 7.785 -2.243 -2.703 146 HE2 MET 23 2HE MET 23 8.162 -2.871 -1.098 147 HE3 MET 23 3HE MET 23 9.422 -2.785 -2.331 148 H ARG 24 H ARG 24 8.781 4.847 -3.345 149 HA ARG 24 HA ARG 24 10.724 6.049 -1.593 150 HB2 ARG 24 1HB ARG 24 10.407 6.726 -3.975 151 HB3 ARG 24 2HB ARG 24 8.827 7.365 -3.557 152 HG2 ARG 24 1HG ARG 24 10.237 9.235 -3.640 153 HG3 ARG 24 2HG ARG 24 10.043 8.899 -1.920 154 HD2 ARG 24 1HD ARG 24 12.392 7.986 -3.590 155 HD3 ARG 24 2HD ARG 24 12.382 9.442 -2.596 156 HE ARG 24 HE ARG 24 11.842 7.741 -0.720 157 HH11 ARG 24 1HH1 ARG 24 13.986 7.211 -3.433 158 HH12 ARG 24 2HH1 ARG 24 15.008 6.103 -2.579 159 HH21 ARG 24 1HH2 ARG 24 13.200 6.286 0.415 160 HH22 ARG 24 2HH2 ARG 24 14.573 5.588 -0.384 161 H ASP 25 H ASP 25 7.257 5.664 -1.507 162 HA ASP 25 HA ASP 25 7.148 7.630 0.709 163 HB2 ASP 25 1HB ASP 25 4.723 7.995 0.103 164 HB3 ASP 25 2HB ASP 25 5.879 8.626 -1.060 165 H VAL 26 H VAL 26 6.259 4.550 -0.543 166 HA VAL 26 HA VAL 26 4.796 3.683 1.764 167 HB VAL 26 HB VAL 26 5.966 2.143 -0.580 168 HG11 VAL 26 1HG1 VAL 26 3.891 1.322 1.432 169 HG12 VAL 26 2HG1 VAL 26 5.530 0.691 1.295 170 HG13 VAL 26 3HG1 VAL 26 4.367 0.399 0.007 171 HG21 VAL 26 1HG2 VAL 26 4.355 3.807 -1.330 172 HG22 VAL 26 2HG2 VAL 26 3.170 3.223 -0.162 173 HG23 VAL 26 3HG2 VAL 26 3.679 2.187 -1.496 174 H VAL 27 H VAL 27 6.999 4.702 2.807 175 HA VAL 27 HA VAL 27 8.446 2.582 4.025 176 HB VAL 27 HB VAL 27 9.501 2.678 1.704 177 HG11 VAL 27 1HG1 VAL 27 10.553 5.327 2.713 178 HG12 VAL 27 2HG1 VAL 27 9.406 5.101 1.392 179 HG13 VAL 27 3HG1 VAL 27 11.059 4.508 1.236 180 HG21 VAL 27 1HG2 VAL 27 10.686 1.686 3.604 181 HG22 VAL 27 2HG2 VAL 27 11.337 3.267 4.036 182 HG23 VAL 27 3HG2 VAL 27 11.802 2.506 2.514 183 H ASP 28 H ASP 28 9.985 3.387 5.607 184 HA ASP 28 HA ASP 28 9.999 6.313 5.975 185 HB2 ASP 28 1HB ASP 28 9.237 5.025 7.972 186 HB3 ASP 28 2HB ASP 28 10.770 4.157 7.974 187 HA PRO 29 HA PRO 29 14.030 5.205 4.188 188 HB2 PRO 29 2HB PRO 29 14.347 7.452 2.684 189 HB3 PRO 29 1HB PRO 29 13.362 6.082 2.174 190 HG2 PRO 29 2HG PRO 29 12.524 8.738 3.172 191 HG3 PRO 29 1HG PRO 29 11.678 7.618 2.087 192 HD2 PRO 29 2HD PRO 29 11.194 8.008 4.854 193 HD3 PRO 29 1HD PRO 29 10.507 6.743 3.820 194 H GLU 30 H GLU 30 13.062 7.530 6.362 195 HA GLU 30 HA GLU 30 15.430 9.073 6.636 196 HB2 GLU 30 1HB GLU 30 13.359 8.517 8.768 197 HB3 GLU 30 2HB GLU 30 14.441 9.903 8.664 198 HG2 GLU 30 1HG GLU 30 12.130 9.251 6.842 199 HG3 GLU 30 2HG GLU 30 12.232 10.576 8.000 200 H LEU 31 H LEU 31 14.081 6.478 8.676 201 HA LEU 31 HA LEU 31 16.731 5.901 9.753 202 HB2 LEU 31 1HB LEU 31 14.001 4.755 10.362 203 HB3 LEU 31 2HB LEU 31 15.477 4.172 11.102 204 HG LEU 31 HG LEU 31 14.389 5.629 12.657 205 HD11 LEU 31 1HD1 LEU 31 16.819 5.785 12.591 206 HD12 LEU 31 2HD1 LEU 31 16.089 7.324 13.046 207 HD13 LEU 31 3HD1 LEU 31 16.713 7.095 11.412 208 HD21 LEU 31 1HD2 LEU 31 14.375 7.743 10.499 209 HD22 LEU 31 2HD2 LEU 31 13.869 7.970 12.173 210 HD23 LEU 31 3HD2 LEU 31 12.969 6.878 11.122 211 H GLY 32 H GLY 32 14.617 4.836 7.280 212 HA2 GLY 32 1HA GLY 32 15.346 3.599 5.434 213 HA3 GLY 32 2HA GLY 32 16.704 3.013 6.379 214 H ILE 33 H ILE 33 13.241 2.846 7.178 215 HA ILE 33 HA ILE 33 13.451 -0.087 6.929 216 HB ILE 33 HB ILE 33 11.854 -0.376 8.768 217 HG12 ILE 33 1HG1 ILE 33 10.908 2.031 8.532 218 HG13 ILE 33 2HG1 ILE 33 11.038 1.340 10.144 219 HG21 ILE 33 1HG2 ILE 33 14.354 1.144 9.498 220 HG22 ILE 33 2HG2 ILE 33 14.199 -0.596 9.247 221 HG23 ILE 33 3HG2 ILE 33 13.400 0.170 10.618 222 HD11 ILE 33 1HD1 ILE 33 12.995 3.270 8.919 223 HD12 ILE 33 2HD1 ILE 33 13.049 2.623 10.554 224 HD13 ILE 33 3HD1 ILE 33 11.724 3.678 10.068 225 H ASN 34 H ASN 34 11.771 -1.159 6.044 226 HA ASN 34 HA ASN 34 9.714 0.507 4.730 227 HB2 ASN 34 1HB ASN 34 9.798 -1.406 2.972 228 HB3 ASN 34 2HB ASN 34 11.096 -0.216 2.976 229 HD21 ASN 34 1HD2 ASN 34 11.857 -4.106 3.856 230 HD22 ASN 34 2HD2 ASN 34 10.242 -3.518 3.694 231 H VAL 35 H VAL 35 7.749 0.110 5.450 232 HA VAL 35 HA VAL 35 7.088 -1.585 7.482 233 HB VAL 35 HB VAL 35 5.194 -0.646 5.312 234 HG11 VAL 35 1HG1 VAL 35 4.642 -1.454 8.175 235 HG12 VAL 35 2HG1 VAL 35 4.187 -2.362 6.734 236 HG13 VAL 35 3HG1 VAL 35 3.461 -0.787 7.048 237 HG21 VAL 35 1HG2 VAL 35 6.044 0.716 7.879 238 HG22 VAL 35 2HG2 VAL 35 4.789 1.292 6.779 239 HG23 VAL 35 3HG2 VAL 35 6.467 1.217 6.241 240 H VAL 36 H VAL 36 7.125 -2.371 4.059 241 HA VAL 36 HA VAL 36 5.513 -4.643 4.053 242 HB VAL 36 HB VAL 36 6.676 -5.334 2.007 243 HG11 VAL 36 1HG1 VAL 36 4.946 -3.621 1.869 244 HG12 VAL 36 2HG1 VAL 36 6.202 -3.343 0.662 245 HG13 VAL 36 3HG1 VAL 36 6.153 -2.361 2.127 246 HG21 VAL 36 1HG2 VAL 36 8.599 -3.087 2.634 247 HG22 VAL 36 2HG2 VAL 36 8.548 -3.997 1.124 248 HG23 VAL 36 3HG2 VAL 36 8.971 -4.811 2.630 249 H ASP 37 H ASP 37 8.715 -4.253 5.337 250 HA ASP 37 HA ASP 37 9.524 -6.978 5.104 251 HB2 ASP 37 1HB ASP 37 11.438 -6.422 6.444 252 HB3 ASP 37 2HB ASP 37 11.157 -5.111 5.315 253 H LEU 38 H LEU 38 7.424 -5.338 7.247 254 HA LEU 38 HA LEU 38 7.604 -7.051 9.492 255 HB2 LEU 38 1HB LEU 38 5.395 -5.347 8.359 256 HB3 LEU 38 2HB LEU 38 5.082 -6.409 9.719 257 HG LEU 38 HG LEU 38 6.788 -5.222 11.045 258 HD11 LEU 38 1HD1 LEU 38 8.256 -4.489 9.234 259 HD12 LEU 38 2HD1 LEU 38 7.766 -3.137 10.254 260 HD13 LEU 38 3HD1 LEU 38 7.014 -3.368 8.675 261 HD21 LEU 38 1HD2 LEU 38 4.675 -3.448 9.824 262 HD22 LEU 38 2HD2 LEU 38 5.552 -3.103 11.314 263 HD23 LEU 38 3HD2 LEU 38 4.485 -4.505 11.223 264 H GLY 39 H GLY 39 6.526 -7.549 6.312 265 HA2 GLY 39 1HA GLY 39 5.821 -9.417 5.210 266 HA3 GLY 39 2HA GLY 39 6.253 -10.329 6.644 267 H LEU 40 H LEU 40 3.939 -7.816 7.075 268 HA LEU 40 HA LEU 40 1.760 -9.778 7.161 269 HB2 LEU 40 1HB LEU 40 2.212 -8.137 9.062 270 HB3 LEU 40 2HB LEU 40 1.684 -6.863 7.986 271 HG LEU 40 HG LEU 40 -0.017 -7.685 9.677 272 HD11 LEU 40 1HD1 LEU 40 -1.900 -7.598 8.133 273 HD12 LEU 40 2HD1 LEU 40 -0.807 -7.842 6.773 274 HD13 LEU 40 3HD1 LEU 40 -0.694 -6.374 7.743 275 HD21 LEU 40 1HD2 LEU 40 -0.123 -10.082 7.845 276 HD22 LEU 40 2HD2 LEU 40 -1.251 -9.726 9.154 277 HD23 LEU 40 3HD2 LEU 40 0.442 -10.074 9.517 278 H VAL 41 H VAL 41 2.957 -6.979 5.484 279 HA VAL 41 HA VAL 41 0.717 -6.362 3.889 280 HB VAL 41 HB VAL 41 3.632 -5.990 3.145 281 HG11 VAL 41 1HG1 VAL 41 2.125 -5.557 1.288 282 HG12 VAL 41 2HG1 VAL 41 2.799 -4.037 1.874 283 HG13 VAL 41 3HG1 VAL 41 1.146 -4.489 2.294 284 HG21 VAL 41 1HG2 VAL 41 3.481 -3.782 4.220 285 HG22 VAL 41 2HG2 VAL 41 3.250 -5.089 5.381 286 HG23 VAL 41 3HG2 VAL 41 1.859 -4.176 4.794 287 H TYR 42 H TYR 42 2.661 -9.096 3.949 288 HA TYR 42 HA TYR 42 2.783 -9.945 1.298 289 HB2 TYR 42 2HB TYR 42 3.883 -11.136 3.161 290 HB3 TYR 42 1HB TYR 42 2.313 -11.609 3.797 291 HD1 TYR 42 1HD TYR 42 4.726 -12.127 1.052 292 HD2 TYR 42 2HD TYR 42 1.107 -13.473 2.851 293 HE1 TYR 42 1HE TYR 42 4.810 -14.170 -0.314 294 HE2 TYR 42 2HE TYR 42 1.182 -15.517 1.491 295 HH TYR 42 HH TYR 42 2.199 -16.223 -0.721 296 H GLY 43 H GLY 43 0.113 -9.663 3.507 297 HA2 GLY 43 1HA GLY 43 -1.783 -11.166 1.967 298 HA3 GLY 43 2HA GLY 43 -2.150 -9.995 3.230 299 H LEU 44 H LEU 44 -0.904 -10.143 -0.084 300 HA LEU 44 HA LEU 44 -2.438 -7.704 -0.707 301 HB2 LEU 44 1HB LEU 44 0.116 -7.456 -0.490 302 HB3 LEU 44 2HB LEU 44 0.224 -8.409 -1.952 303 HG LEU 44 HG LEU 44 -1.286 -5.793 -1.813 304 HD11 LEU 44 1HD1 LEU 44 1.052 -5.391 -1.240 305 HD12 LEU 44 2HD1 LEU 44 0.681 -4.755 -2.843 306 HD13 LEU 44 3HD1 LEU 44 1.570 -6.270 -2.678 307 HD21 LEU 44 1HD2 LEU 44 -1.915 -7.240 -3.676 308 HD22 LEU 44 2HD2 LEU 44 -0.222 -7.393 -4.150 309 HD23 LEU 44 3HD2 LEU 44 -1.031 -5.828 -4.255 310 H ASP 45 H ASP 45 -3.914 -8.079 -2.206 311 HA ASP 45 HA ASP 45 -3.365 -9.938 -4.392 312 HB2 ASP 45 1HB ASP 45 -4.595 -11.290 -2.760 313 HB3 ASP 45 2HB ASP 45 -5.842 -10.053 -2.639 314 H VAL 46 H VAL 46 -3.574 -8.679 -6.136 315 HA VAL 46 HA VAL 46 -5.665 -6.608 -6.143 316 HB VAL 46 HB VAL 46 -4.503 -5.521 -7.942 317 HG11 VAL 46 1HG1 VAL 46 -2.362 -4.980 -6.901 318 HG12 VAL 46 2HG1 VAL 46 -2.478 -6.419 -5.889 319 HG13 VAL 46 3HG1 VAL 46 -3.634 -5.104 -5.685 320 HG21 VAL 46 1HG2 VAL 46 -2.444 -6.392 -8.929 321 HG22 VAL 46 2HG2 VAL 46 -3.803 -7.479 -9.208 322 HG23 VAL 46 3HG2 VAL 46 -2.606 -7.866 -7.972 323 H GLN 47 H GLN 47 -7.262 -6.622 -7.678 324 HA GLN 47 HA GLN 47 -7.398 -9.005 -9.409 325 HB2 GLN 47 1HB GLN 47 -9.620 -7.629 -7.872 326 HB3 GLN 47 2HB GLN 47 -9.883 -8.894 -9.068 327 HG2 GLN 47 1HG GLN 47 -8.737 -10.502 -7.731 328 HG3 GLN 47 2HG GLN 47 -8.184 -9.261 -6.610 329 HE21 GLN 47 1HE2 GLN 47 -10.800 -10.334 -4.582 330 HE22 GLN 47 2HE2 GLN 47 -9.089 -10.287 -4.855 331 H ASP 48 H ASP 48 -7.336 -8.486 -11.475 332 HA ASP 48 HA ASP 48 -8.215 -5.843 -12.357 333 HB2 ASP 48 1HB ASP 48 -7.205 -6.495 -14.543 334 HB3 ASP 48 2HB ASP 48 -6.062 -6.529 -13.209 335 H GLY 49 H GLY 49 -10.409 -6.023 -12.153 336 HA2 GLY 49 1HA GLY 49 -11.814 -8.196 -13.518 337 HA3 GLY 49 2HA GLY 49 -12.527 -6.999 -12.445 338 H ASP 50 H ASP 50 -13.605 -7.727 -14.929 339 HA ASP 50 HA ASP 50 -12.871 -5.960 -17.017 340 HB2 ASP 50 1HB ASP 50 -15.496 -7.400 -16.542 341 HB3 ASP 50 2HB ASP 50 -15.017 -6.631 -18.052 342 H GLU 51 H GLU 51 -14.848 -5.605 -14.206 343 HA GLU 51 HA GLU 51 -16.160 -3.200 -15.141 344 HB2 GLU 51 1HB GLU 51 -17.285 -4.741 -13.567 345 HB3 GLU 51 2HB GLU 51 -16.047 -4.409 -12.363 346 HG2 GLU 51 1HG GLU 51 -16.752 -2.125 -12.174 347 HG3 GLU 51 2HG GLU 51 -17.859 -2.301 -13.534 348 H GLY 52 H GLY 52 -13.458 -4.071 -13.046 349 HA2 GLY 52 1HA GLY 52 -12.105 -1.637 -13.495 350 HA3 GLY 52 2HA GLY 52 -12.905 -1.577 -11.931 351 H THR 53 H THR 53 -10.090 -1.478 -12.363 352 HA THR 53 HA THR 53 -9.151 -4.070 -11.345 353 HB THR 53 HB THR 53 -7.456 -1.689 -12.156 354 HG1 THR 53 1HG THR 53 -7.324 -2.623 -14.185 355 HG21 THR 53 1HG2 THR 53 -6.798 -4.635 -11.941 356 HG22 THR 53 2HG2 THR 53 -6.360 -3.410 -10.752 357 HG23 THR 53 3HG2 THR 53 -5.681 -3.347 -12.379 358 H VAL 54 H VAL 54 -8.931 -4.300 -9.206 359 HA VAL 54 HA VAL 54 -8.533 -1.894 -7.531 360 HB VAL 54 HB VAL 54 -10.182 -4.341 -6.823 361 HG11 VAL 54 1HG1 VAL 54 -10.837 -3.083 -4.825 362 HG12 VAL 54 2HG1 VAL 54 -9.761 -1.767 -5.295 363 HG13 VAL 54 3HG1 VAL 54 -9.093 -3.343 -4.869 364 HG21 VAL 54 1HG2 VAL 54 -11.108 -1.531 -7.446 365 HG22 VAL 54 2HG2 VAL 54 -12.131 -2.886 -6.967 366 HG23 VAL 54 3HG2 VAL 54 -11.279 -2.927 -8.510 367 H ALA 55 H ALA 55 -7.105 -2.058 -5.845 368 HA ALA 55 HA ALA 55 -5.492 -4.536 -5.704 369 HB1 ALA 55 1HB ALA 55 -4.239 -2.543 -6.365 370 HB2 ALA 55 2HB ALA 55 -3.712 -3.113 -4.781 371 HB3 ALA 55 3HB ALA 55 -4.767 -1.704 -4.906 372 H LEU 56 H LEU 56 -5.891 -5.767 -3.949 373 HA LEU 56 HA LEU 56 -7.009 -4.519 -1.530 374 HB2 LEU 56 1HB LEU 56 -6.731 -7.476 -2.095 375 HB3 LEU 56 2HB LEU 56 -7.744 -6.704 -0.884 376 HG LEU 56 HG LEU 56 -8.144 -6.509 -3.873 377 HD11 LEU 56 1HD1 LEU 56 -8.589 -8.758 -3.091 378 HD12 LEU 56 2HD1 LEU 56 -10.097 -7.949 -3.513 379 HD13 LEU 56 3HD1 LEU 56 -9.640 -8.136 -1.817 380 HD21 LEU 56 1HD2 LEU 56 -10.290 -5.476 -3.321 381 HD22 LEU 56 2HD2 LEU 56 -8.955 -4.529 -2.665 382 HD23 LEU 56 3HD2 LEU 56 -9.908 -5.566 -1.603 383 H ILE 57 H ILE 57 -5.669 -4.120 0.124 384 HA ILE 57 HA ILE 57 -3.220 -5.757 0.398 385 HB ILE 57 HB ILE 57 -3.459 -2.790 0.990 386 HG12 ILE 57 1HG1 ILE 57 -1.975 -4.205 -1.248 387 HG13 ILE 57 2HG1 ILE 57 -3.445 -3.253 -1.435 388 HG21 ILE 57 1HG2 ILE 57 -1.908 -3.952 2.489 389 HG22 ILE 57 2HG2 ILE 57 -1.039 -2.884 1.387 390 HG23 ILE 57 3HG2 ILE 57 -1.054 -4.624 1.098 391 HD11 ILE 57 1HD1 ILE 57 -0.756 -2.227 -0.553 392 HD12 ILE 57 2HD1 ILE 57 -2.226 -1.260 -0.688 393 HD13 ILE 57 3HD1 ILE 57 -1.512 -1.987 -2.128 394 H ASP 58 H ASP 58 -2.775 -6.473 2.445 395 HA ASP 58 HA ASP 58 -4.672 -5.693 4.569 396 HB2 ASP 58 1HB ASP 58 -3.182 -8.292 4.111 397 HB3 ASP 58 2HB ASP 58 -4.065 -7.929 5.591 398 H MET 59 H MET 59 -3.864 -4.543 6.198 399 HA MET 59 HA MET 59 -1.065 -4.902 6.972 400 HB2 MET 59 1HB MET 59 -2.218 -2.200 6.242 401 HB3 MET 59 2HB MET 59 -0.682 -2.440 7.061 402 HG2 MET 59 1HG MET 59 -0.147 -3.940 4.972 403 HG3 MET 59 2HG MET 59 -1.421 -2.980 4.222 404 HE1 MET 59 1HE MET 59 -1.353 -0.229 4.330 405 HE2 MET 59 2HE MET 59 0.084 0.673 4.814 406 HE3 MET 59 3HE MET 59 -0.845 -0.216 6.020 407 H THR 60 H THR 60 -0.541 -3.575 8.950 408 HA THR 60 HA THR 60 -2.757 -2.782 10.619 409 HB THR 60 HB THR 60 -2.633 -5.212 11.074 410 HG1 THR 60 1HG THR 60 -3.057 -4.769 13.089 411 HG21 THR 60 1HG2 THR 60 0.178 -4.637 12.036 412 HG22 THR 60 2HG2 THR 60 -0.251 -5.584 10.611 413 HG23 THR 60 3HG2 THR 60 -0.684 -6.165 12.219 414 H LEU 61 H LEU 61 -2.112 -1.407 12.288 415 HA LEU 61 HA LEU 61 0.731 -0.618 12.282 416 HB2 LEU 61 1HB LEU 61 -1.689 1.012 13.111 417 HB3 LEU 61 2HB LEU 61 -0.025 1.569 13.140 418 HG LEU 61 HG LEU 61 -1.617 0.858 10.666 419 HD11 LEU 61 1HD1 LEU 61 -1.466 3.239 10.138 420 HD12 LEU 61 2HD1 LEU 61 -0.656 3.530 11.680 421 HD13 LEU 61 3HD1 LEU 61 -2.326 2.963 11.655 422 HD21 LEU 61 1HD2 LEU 61 0.295 1.695 9.396 423 HD22 LEU 61 2HD2 LEU 61 0.740 0.295 10.373 424 HD23 LEU 61 3HD2 LEU 61 1.201 1.917 10.895 425 H THR 62 H THR 62 1.699 -0.154 14.337 426 HA THR 62 HA THR 62 1.789 -2.206 16.012 427 HB THR 62 HB THR 62 2.113 0.650 16.956 428 HG1 THR 62 1HG THR 62 3.979 -1.114 15.698 429 HG21 THR 62 1HG2 THR 62 2.180 -0.991 18.787 430 HG22 THR 62 2HG2 THR 62 3.772 -0.289 18.500 431 HG23 THR 62 3HG2 THR 62 3.407 -1.912 17.916 432 H SER 63 H SER 63 -0.344 0.594 16.714 433 HA SER 63 HA SER 63 -1.793 -1.139 18.620 434 HB2 SER 63 1HB SER 63 -0.574 0.715 19.732 435 HB3 SER 63 2HB SER 63 -1.481 1.877 18.766 436 HG SER 63 HG SER 63 -3.326 0.430 19.813 437 H ALA 64 H ALA 64 -2.027 0.116 15.644 438 HA ALA 64 HA ALA 64 -3.680 0.621 14.177 439 HB1 ALA 64 1HB ALA 64 -5.849 -0.406 14.512 440 HB2 ALA 64 2HB ALA 64 -5.485 -0.679 16.216 441 HB3 ALA 64 3HB ALA 64 -4.568 -1.527 14.971 442 H ALA 65 H ALA 65 -3.296 2.278 16.877 443 HA ALA 65 HA ALA 65 -5.618 4.045 16.491 444 HB1 ALA 65 1HB ALA 65 -5.310 3.298 18.788 445 HB2 ALA 65 2HB ALA 65 -4.980 5.026 18.672 446 HB3 ALA 65 3HB ALA 65 -3.644 3.879 18.783 447 H CYS 66 H CYS 66 -2.494 3.624 15.552 448 HA CYS 66 HA CYS 66 -1.375 6.204 15.697 449 HB2 CYS 66 2HB CYS 66 -0.811 4.099 13.593 450 HB3 CYS 66 1HB CYS 66 0.272 5.371 14.150 451 HG CYS 66 HG CYS 66 1.155 4.198 16.320 452 HA PRO 67 HA PRO 67 -4.066 8.125 12.728 453 HB2 PRO 67 2HB PRO 67 -2.810 10.514 12.504 454 HB3 PRO 67 1HB PRO 67 -3.708 10.047 13.954 455 HG2 PRO 67 2HG PRO 67 -0.751 9.948 13.445 456 HG3 PRO 67 1HG PRO 67 -1.621 10.525 14.880 457 HD2 PRO 67 2HD PRO 67 -0.491 8.057 14.748 458 HD3 PRO 67 1HD PRO 67 -1.957 8.390 15.693 459 H LEU 68 H LEU 68 -1.446 6.600 11.869 460 HA LEU 68 HA LEU 68 -0.729 8.009 9.445 461 HB2 LEU 68 1HB LEU 68 0.197 5.393 10.636 462 HB3 LEU 68 2HB LEU 68 0.738 5.967 9.071 463 HG LEU 68 HG LEU 68 2.438 6.470 10.684 464 HD11 LEU 68 1HD1 LEU 68 2.628 8.894 10.473 465 HD12 LEU 68 2HD1 LEU 68 0.928 8.995 10.010 466 HD13 LEU 68 3HD1 LEU 68 2.080 8.160 8.967 467 HD21 LEU 68 1HD2 LEU 68 1.121 6.383 12.723 468 HD22 LEU 68 2HD2 LEU 68 0.305 7.886 12.288 469 HD23 LEU 68 3HD2 LEU 68 2.032 7.892 12.648 470 H THR 69 H THR 69 -3.317 6.182 10.247 471 HA THR 69 HA THR 69 -3.520 4.244 8.240 472 HB THR 69 HB THR 69 -5.016 4.292 10.176 473 HG1 THR 69 1HG THR 69 -6.345 4.436 7.649 474 HG21 THR 69 1HG2 THR 69 -6.387 6.648 8.873 475 HG22 THR 69 2HG2 THR 69 -5.394 6.720 10.328 476 HG23 THR 69 3HG2 THR 69 -6.904 5.811 10.337 477 H ASP 70 H ASP 70 -4.890 7.569 8.216 478 HA ASP 70 HA ASP 70 -5.754 7.397 5.514 479 HB2 ASP 70 1HB ASP 70 -6.862 8.961 6.960 480 HB3 ASP 70 2HB ASP 70 -5.346 9.730 7.398 481 H VAL 71 H VAL 71 -2.762 8.208 7.052 482 HA VAL 71 HA VAL 71 -1.583 9.656 4.914 483 HB VAL 71 HB VAL 71 -0.220 8.063 7.105 484 HG11 VAL 71 1HG1 VAL 71 0.873 10.228 5.301 485 HG12 VAL 71 2HG1 VAL 71 1.287 8.515 5.240 486 HG13 VAL 71 3HG1 VAL 71 1.733 9.480 6.646 487 HG21 VAL 71 1HG2 VAL 71 -1.701 9.796 8.002 488 HG22 VAL 71 2HG2 VAL 71 -0.917 11.005 6.984 489 HG23 VAL 71 3HG2 VAL 71 -0.008 10.211 8.270 490 H ILE 72 H ILE 72 -1.261 6.232 5.937 491 HA ILE 72 HA ILE 72 0.364 5.565 3.701 492 HB ILE 72 HB ILE 72 0.060 3.218 4.348 493 HG12 ILE 72 1HG1 ILE 72 -1.205 2.914 6.640 494 HG13 ILE 72 2HG1 ILE 72 -2.083 4.350 6.133 495 HG21 ILE 72 1HG2 ILE 72 1.767 4.534 5.454 496 HG22 ILE 72 2HG2 ILE 72 1.077 3.365 6.580 497 HG23 ILE 72 3HG2 ILE 72 0.606 5.062 6.674 498 HD11 ILE 72 1HD1 ILE 72 -2.853 3.213 4.145 499 HD12 ILE 72 2HD1 ILE 72 -3.251 2.269 5.576 500 HD13 ILE 72 3HD1 ILE 72 -1.897 1.793 4.559 501 H GLU 73 H GLU 73 -3.110 5.470 4.315 502 HA GLU 73 HA GLU 73 -3.837 4.029 1.993 503 HB2 GLU 73 1HB GLU 73 -5.339 6.062 3.657 504 HB3 GLU 73 2HB GLU 73 -6.069 5.239 2.284 505 HG2 GLU 73 1HG GLU 73 -5.680 3.079 3.372 506 HG3 GLU 73 2HG GLU 73 -4.949 3.907 4.745 507 H ASP 74 H ASP 74 -3.458 7.504 2.606 508 HA ASP 74 HA ASP 74 -4.219 8.405 0.054 509 HB2 ASP 74 1HB ASP 74 -4.028 9.935 1.946 510 HB3 ASP 74 2HB ASP 74 -2.293 9.642 2.039 511 H GLN 75 H GLN 75 -0.983 7.765 1.387 512 HA GLN 75 HA GLN 75 0.505 8.344 -0.899 513 HB2 GLN 75 1HB GLN 75 1.060 6.350 1.316 514 HB3 GLN 75 2HB GLN 75 2.241 6.833 0.107 515 HG2 GLN 75 1HG GLN 75 2.199 9.109 0.899 516 HG3 GLN 75 2HG GLN 75 0.899 8.730 2.026 517 HE21 GLN 75 1HE2 GLN 75 4.328 8.726 3.632 518 HE22 GLN 75 2HE2 GLN 75 3.582 9.810 2.513 519 H SER 76 H SER 76 -0.722 5.206 0.234 520 HA SER 76 HA SER 76 0.214 3.631 -1.853 521 HB2 SER 76 1HB SER 76 -0.699 2.716 0.247 522 HB3 SER 76 2HB SER 76 -2.315 3.238 -0.224 523 HG SER 76 HG SER 76 -0.690 1.371 -1.614 524 H ARG 77 H ARG 77 -3.138 4.912 -1.501 525 HA ARG 77 HA ARG 77 -4.041 4.037 -3.990 526 HB2 ARG 77 1HB ARG 77 -5.904 5.533 -3.755 527 HB3 ARG 77 2HB ARG 77 -5.499 4.928 -2.156 528 HG2 ARG 77 1HG ARG 77 -4.335 7.035 -1.660 529 HG3 ARG 77 2HG ARG 77 -4.764 7.640 -3.259 530 HD2 ARG 77 1HD ARG 77 -6.683 6.879 -1.055 531 HD3 ARG 77 2HD ARG 77 -6.281 8.517 -1.572 532 HE ARG 77 HE ARG 77 -7.446 6.689 -3.548 533 HH11 ARG 77 1HH1 ARG 77 -7.815 9.485 -1.473 534 HH12 ARG 77 2HH1 ARG 77 -9.291 10.008 -2.222 535 HH21 ARG 77 1HH2 ARG 77 -9.397 7.351 -4.522 536 HH22 ARG 77 2HH2 ARG 77 -10.207 8.781 -3.960 537 H SER 78 H SER 78 -2.419 7.069 -3.141 538 HA SER 78 HA SER 78 -2.846 8.395 -5.581 539 HB2 SER 78 1HB SER 78 -2.092 9.487 -3.454 540 HB3 SER 78 2HB SER 78 -0.497 8.781 -3.702 541 HG SER 78 HG SER 78 -0.160 10.085 -5.405 542 H ALA 79 H ALA 79 -0.104 6.400 -4.460 543 HA ALA 79 HA ALA 79 1.425 6.754 -6.826 544 HB1 ALA 79 1HB ALA 79 2.775 4.877 -5.990 545 HB2 ALA 79 2HB ALA 79 1.548 4.537 -4.772 546 HB3 ALA 79 3HB ALA 79 2.452 6.052 -4.715 547 H LEU 80 H LEU 80 -0.666 4.104 -5.689 548 HA LEU 80 HA LEU 80 -0.255 2.366 -7.826 549 HB2 LEU 80 1HB LEU 80 -2.393 2.680 -5.772 550 HB3 LEU 80 2HB LEU 80 -2.721 1.629 -7.134 551 HG LEU 80 HG LEU 80 -1.897 0.364 -5.202 552 HD11 LEU 80 1HD1 LEU 80 -1.448 -0.498 -7.427 553 HD12 LEU 80 2HD1 LEU 80 -0.118 -0.885 -6.336 554 HD13 LEU 80 3HD1 LEU 80 0.054 0.425 -7.506 555 HD21 LEU 80 1HD2 LEU 80 0.391 0.595 -4.406 556 HD22 LEU 80 2HD2 LEU 80 -0.490 2.106 -4.187 557 HD23 LEU 80 3HD2 LEU 80 0.664 1.945 -5.512 558 H VAL 81 H VAL 81 -2.602 4.986 -7.468 559 HA VAL 81 HA VAL 81 -3.839 4.445 -10.003 560 HB VAL 81 HB VAL 81 -4.975 5.629 -8.067 561 HG11 VAL 81 1HG1 VAL 81 -3.232 7.215 -7.484 562 HG12 VAL 81 2HG1 VAL 81 -4.714 8.067 -7.919 563 HG13 VAL 81 3HG1 VAL 81 -3.375 7.988 -9.064 564 HG21 VAL 81 1HG2 VAL 81 -5.072 7.004 -10.756 565 HG22 VAL 81 2HG2 VAL 81 -6.329 7.043 -9.520 566 HG23 VAL 81 3HG2 VAL 81 -5.931 5.525 -10.324 567 H GLY 82 H GLY 82 -1.078 6.245 -8.894 568 HA2 GLY 82 1HA GLY 82 -0.944 8.070 -11.118 569 HA3 GLY 82 2HA GLY 82 0.327 7.751 -9.942 570 H SER 83 H SER 83 0.300 4.918 -10.338 571 HA SER 83 HA SER 83 2.006 4.712 -12.630 572 HB2 SER 83 1HB SER 83 0.939 2.594 -10.739 573 HB3 SER 83 2HB SER 83 2.182 2.322 -11.962 574 HG SER 83 HG SER 83 3.603 3.239 -10.722 575 H GLY 84 H GLY 84 -1.345 4.241 -11.981 576 HA2 GLY 84 1HA GLY 84 -3.058 3.998 -13.519 577 HA3 GLY 84 2HA GLY 84 -1.858 3.761 -14.779 578 H LEU 85 H LEU 85 -1.474 1.766 -12.033 579 HA LEU 85 HA LEU 85 -2.092 -0.590 -13.567 580 HB2 LEU 85 1HB LEU 85 -0.988 -0.077 -10.828 581 HB3 LEU 85 2HB LEU 85 -1.608 -1.672 -11.210 582 HG LEU 85 HG LEU 85 0.007 -1.917 -13.018 583 HD11 LEU 85 1HD1 LEU 85 0.162 0.388 -13.761 584 HD12 LEU 85 2HD1 LEU 85 1.764 -0.249 -13.394 585 HD13 LEU 85 3HD1 LEU 85 0.969 0.842 -12.260 586 HD21 LEU 85 1HD2 LEU 85 2.077 -1.950 -11.680 587 HD22 LEU 85 2HD2 LEU 85 0.701 -2.638 -10.817 588 HD23 LEU 85 3HD2 LEU 85 1.264 -1.011 -10.426 589 H VAL 86 H VAL 86 -3.403 0.898 -10.607 590 HA VAL 86 HA VAL 86 -5.919 -0.562 -11.113 591 HB VAL 86 HB VAL 86 -6.315 -0.801 -8.741 592 HG11 VAL 86 1HG1 VAL 86 -4.980 -2.550 -9.867 593 HG12 VAL 86 2HG1 VAL 86 -4.608 -2.412 -8.152 594 HG13 VAL 86 3HG1 VAL 86 -3.504 -1.735 -9.349 595 HG21 VAL 86 1HG2 VAL 86 -5.273 1.240 -7.930 596 HG22 VAL 86 2HG2 VAL 86 -3.674 0.614 -8.329 597 HG23 VAL 86 3HG2 VAL 86 -4.628 -0.151 -7.059 598 H ASP 87 H ASP 87 -7.794 0.500 -9.947 599 HA ASP 87 HA ASP 87 -7.577 3.436 -10.203 600 HB2 ASP 87 1HB ASP 87 -9.108 2.387 -11.832 601 HB3 ASP 87 2HB ASP 87 -10.012 1.652 -10.513 602 H ASP 88 H ASP 88 -8.886 0.791 -8.283 603 HA ASP 88 HA ASP 88 -9.235 2.646 -6.019 604 HB2 ASP 88 1HB ASP 88 -11.440 1.988 -6.904 605 HB3 ASP 88 2HB ASP 88 -11.007 0.288 -6.740 606 H ILE 89 H ILE 89 -8.787 1.782 -3.951 607 HA ILE 89 HA ILE 89 -7.591 -0.902 -3.861 608 HB ILE 89 HB ILE 89 -5.690 -0.215 -2.582 609 HG12 ILE 89 1HG1 ILE 89 -6.602 2.671 -2.752 610 HG13 ILE 89 2HG1 ILE 89 -6.913 1.645 -1.357 611 HG21 ILE 89 1HG2 ILE 89 -5.446 0.005 -5.015 612 HG22 ILE 89 2HG2 ILE 89 -4.439 1.165 -4.151 613 HG23 ILE 89 3HG2 ILE 89 -5.941 1.694 -4.911 614 HD11 ILE 89 1HD1 ILE 89 -4.988 3.062 -0.987 615 HD12 ILE 89 2HD1 ILE 89 -4.205 2.404 -2.423 616 HD13 ILE 89 3HD1 ILE 89 -4.510 1.366 -1.030 617 H ARG 90 H ARG 90 -7.715 -1.898 -1.806 618 HA ARG 90 HA ARG 90 -8.983 -0.346 0.334 619 HB2 ARG 90 1HB ARG 90 -9.946 -3.012 -0.689 620 HB3 ARG 90 2HB ARG 90 -10.235 -2.521 0.974 621 HG2 ARG 90 1HG ARG 90 -12.155 -1.731 0.086 622 HG3 ARG 90 2HG ARG 90 -11.146 -0.328 -0.259 623 HD2 ARG 90 1HD ARG 90 -12.294 -0.781 -2.262 624 HD3 ARG 90 2HD ARG 90 -10.668 -1.418 -2.509 625 HE ARG 90 HE ARG 90 -11.938 -3.588 -1.633 626 HH11 ARG 90 1HH1 ARG 90 -12.794 -1.248 -4.097 627 HH12 ARG 90 2HH1 ARG 90 -13.835 -2.352 -4.947 628 HH21 ARG 90 1HH2 ARG 90 -13.278 -5.044 -2.783 629 HH22 ARG 90 2HH2 ARG 90 -14.103 -4.495 -4.210 630 H ILE 91 H ILE 91 -7.647 -0.309 1.941 631 HA ILE 91 HA ILE 91 -5.828 -2.552 2.410 632 HB ILE 91 HB ILE 91 -5.835 0.233 3.608 633 HG12 ILE 91 1HG1 ILE 91 -4.046 -1.037 1.507 634 HG13 ILE 91 2HG1 ILE 91 -5.268 0.192 1.207 635 HG21 ILE 91 1HG2 ILE 91 -3.800 -1.990 3.887 636 HG22 ILE 91 2HG2 ILE 91 -4.887 -1.417 5.152 637 HG23 ILE 91 3HG2 ILE 91 -3.632 -0.351 4.521 638 HD11 ILE 91 1HD1 ILE 91 -2.779 0.549 2.860 639 HD12 ILE 91 2HD1 ILE 91 -4.002 1.782 2.551 640 HD13 ILE 91 3HD1 ILE 91 -3.040 1.140 1.220 641 H ASN 92 H ASN 92 -6.567 -4.043 3.706 642 HA ASN 92 HA ASN 92 -8.695 -3.511 5.615 643 HB2 ASN 92 1HB ASN 92 -8.886 -5.459 4.154 644 HB3 ASN 92 2HB ASN 92 -7.333 -6.060 4.705 645 HD21 ASN 92 1HD2 ASN 92 -8.568 -7.448 7.686 646 HD22 ASN 92 2HD2 ASN 92 -7.172 -6.862 6.848 647 H TRP 93 H TRP 93 -8.268 -3.059 7.654 648 HA TRP 93 HA TRP 93 -5.570 -3.347 8.680 649 HB2 TRP 93 2HB TRP 93 -8.057 -2.024 9.796 650 HB3 TRP 93 1HB TRP 93 -6.509 -2.065 10.638 651 HD1 TRP 93 1HD TRP 93 -8.420 -0.021 8.178 652 HE1 TRP 93 1HE TRP 93 -6.900 1.826 7.190 653 HE3 TRP 93 3HE TRP 93 -3.888 -1.734 9.808 654 HZ2 TRP 93 2HZ TRP 93 -4.163 2.452 7.127 655 HZ3 TRP 93 3HZ TRP 93 -1.869 -0.458 9.236 656 HH2 TRP 93 2HH TRP 93 -2.004 1.592 7.920 657 H VAL 94 H VAL 94 -5.056 -5.312 9.442 658 HA VAL 94 HA VAL 94 -7.091 -6.910 10.809 659 HB VAL 94 HB VAL 94 -5.428 -8.732 10.831 660 HG11 VAL 94 1HG1 VAL 94 -6.944 -8.498 8.936 661 HG12 VAL 94 2HG1 VAL 94 -5.384 -9.147 8.424 662 HG13 VAL 94 3HG1 VAL 94 -5.779 -7.455 8.120 663 HG21 VAL 94 1HG2 VAL 94 -3.326 -8.487 9.545 664 HG22 VAL 94 2HG2 VAL 94 -3.364 -7.487 10.998 665 HG23 VAL 94 3HG2 VAL 94 -3.634 -6.752 9.416 666 H TRP 95 H TRP 95 -7.288 -6.949 12.937 667 HA TRP 95 HA TRP 95 -5.001 -6.095 14.610 668 HB2 TRP 95 2HB TRP 95 -7.919 -5.920 15.398 669 HB3 TRP 95 1HB TRP 95 -6.541 -5.151 16.180 670 HD1 TRP 95 1HD TRP 95 -5.174 -3.591 13.906 671 HE1 TRP 95 1HE TRP 95 -6.372 -1.676 12.672 672 HE3 TRP 95 3HE TRP 95 -10.024 -4.842 14.947 673 HZ2 TRP 95 2HZ TRP 95 -9.000 -0.807 12.201 674 HZ3 TRP 95 3HZ TRP 95 -11.823 -3.410 14.066 675 HH2 TRP 95 2HH TRP 95 -11.319 -1.433 12.721 676 H ASN 96 H ASN 96 -7.578 -8.350 14.080 677 HA ASN 96 HA ASN 96 -6.422 -10.471 15.501 678 HB2 ASN 96 1HB ASN 96 -7.060 -9.262 17.525 679 HB3 ASN 96 2HB ASN 96 -8.711 -9.088 16.937 680 HD21 ASN 96 1HD2 ASN 96 -9.437 -11.853 18.926 681 HD22 ASN 96 2HD2 ASN 96 -9.611 -10.149 18.671 682 HA PRO 97 HA PRO 97 -10.764 -11.527 13.510 683 HB2 PRO 97 2HB PRO 97 -11.804 -9.430 12.053 684 HB3 PRO 97 1HB PRO 97 -12.359 -9.862 13.674 685 HG2 PRO 97 2HG PRO 97 -10.415 -7.735 12.842 686 HG3 PRO 97 1HG PRO 97 -11.721 -7.650 14.043 687 HD2 PRO 97 2HD PRO 97 -9.161 -7.974 14.782 688 HD3 PRO 97 1HD PRO 97 -10.480 -8.785 15.654 689 HA PRO 98 HA PRO 98 -8.008 -12.131 10.138 690 HB2 PRO 98 2HB PRO 98 -9.621 -13.520 8.405 691 HB3 PRO 98 1HB PRO 98 -8.877 -14.226 9.843 692 HG2 PRO 98 2HG PRO 98 -11.666 -13.194 9.472 693 HG3 PRO 98 1HG PRO 98 -11.114 -14.657 10.311 694 HD2 PRO 98 2HD PRO 98 -11.799 -12.407 11.643 695 HD3 PRO 98 1HD PRO 98 -10.512 -13.486 12.217 696 H TRP 99 H TRP 99 -10.754 -12.087 7.985 697 HA TRP 99 HA TRP 99 -10.136 -9.397 7.045 698 HB2 TRP 99 2HB TRP 99 -9.920 -11.809 5.210 699 HB3 TRP 99 1HB TRP 99 -9.657 -10.126 4.764 700 HD1 TRP 99 1HD TRP 99 -7.434 -8.938 5.983 701 HE1 TRP 99 1HE TRP 99 -5.156 -9.978 6.526 702 HE3 TRP 99 3HE TRP 99 -8.735 -13.886 5.835 703 HZ2 TRP 99 2HZ TRP 99 -4.042 -12.537 6.861 704 HZ3 TRP 99 3HZ TRP 99 -6.995 -15.571 6.284 705 HH2 TRP 99 2HH TRP 99 -4.695 -14.907 6.785 706 H GLY 100 H GLY 100 -12.011 -8.408 6.526 707 HA2 GLY 100 1HA GLY 100 -14.111 -9.696 5.095 708 HA3 GLY 100 2HA GLY 100 -14.505 -9.592 6.803 709 HA PRO 101 HA PRO 101 -16.419 -5.736 5.966 710 HB2 PRO 101 2HB PRO 101 -15.606 -4.865 8.687 711 HB3 PRO 101 1HB PRO 101 -17.224 -5.046 7.999 712 HG2 PRO 101 2HG PRO 101 -16.294 -6.788 9.804 713 HG3 PRO 101 1HG PRO 101 -17.304 -7.324 8.448 714 HD2 PRO 101 2HD PRO 101 -14.327 -7.507 8.779 715 HD3 PRO 101 1HD PRO 101 -15.466 -8.711 8.135 716 H ASP 102 H ASP 102 -13.262 -5.605 7.547 717 HA ASP 102 HA ASP 102 -12.772 -2.863 7.066 718 HB2 ASP 102 1HB ASP 102 -10.732 -5.051 7.559 719 HB3 ASP 102 2HB ASP 102 -10.498 -3.321 7.797 720 H LYS 103 H LYS 103 -12.900 -5.400 4.898 721 HA LYS 103 HA LYS 103 -10.957 -4.455 2.999 722 HB2 LYS 103 1HB LYS 103 -13.336 -6.310 2.713 723 HB3 LYS 103 2HB LYS 103 -12.241 -5.932 1.393 724 HG2 LYS 103 1HG LYS 103 -11.352 -7.196 3.985 725 HG3 LYS 103 2HG LYS 103 -11.834 -8.117 2.560 726 HD2 LYS 103 1HD LYS 103 -10.051 -6.935 1.267 727 HD3 LYS 103 2HD LYS 103 -9.521 -6.179 2.772 728 HE2 LYS 103 1HE LYS 103 -9.128 -8.435 3.723 729 HE3 LYS 103 2HE LYS 103 -9.584 -9.142 2.173 730 HZ1 LYS 103 1HZ LYS 103 -7.285 -7.316 2.637 731 HZ2 LYS 103 2HZ LYS 103 -7.710 -7.999 1.150 732 HZ3 LYS 103 3HZ LYS 103 -7.180 -8.986 2.418 733 H ILE 104 H ILE 104 -13.677 -3.051 4.151 734 HA ILE 104 HA ILE 104 -14.300 -1.703 1.596 735 HB ILE 104 HB ILE 104 -15.964 -1.807 4.131 736 HG12 ILE 104 1HG1 ILE 104 -16.394 -3.188 1.460 737 HG13 ILE 104 2HG1 ILE 104 -15.882 -3.981 2.948 738 HG21 ILE 104 1HG2 ILE 104 -16.305 0.273 2.921 739 HG22 ILE 104 2HG2 ILE 104 -17.723 -0.759 2.753 740 HG23 ILE 104 3HG2 ILE 104 -16.577 -0.616 1.421 741 HD11 ILE 104 1HD1 ILE 104 -18.020 -3.368 3.985 742 HD12 ILE 104 2HD1 ILE 104 -18.234 -4.354 2.539 743 HD13 ILE 104 3HD1 ILE 104 -18.527 -2.616 2.471 744 H THR 105 H THR 105 -13.321 0.208 1.391 745 HA THR 105 HA THR 105 -12.273 1.615 3.700 746 HB THR 105 HB THR 105 -11.433 3.218 1.861 747 HG1 THR 105 1HG THR 105 -11.508 2.392 -0.242 748 HG21 THR 105 1HG2 THR 105 -10.516 0.331 1.775 749 HG22 THR 105 2HG2 THR 105 -9.998 1.535 2.956 750 HG23 THR 105 3HG2 THR 105 -9.587 1.738 1.254 751 H GLU 106 H GLU 106 -12.508 4.029 3.752 752 HA GLU 106 HA GLU 106 -15.173 4.781 4.139 753 HB2 GLU 106 1HB GLU 106 -13.336 5.873 5.307 754 HB3 GLU 106 2HB GLU 106 -12.690 6.481 3.791 755 HG2 GLU 106 1HG GLU 106 -13.743 8.312 4.796 756 HG3 GLU 106 2HG GLU 106 -14.850 7.779 3.538 757 H ASP 107 H ASP 107 -13.268 4.746 1.275 758 HA ASP 107 HA ASP 107 -14.311 6.867 -0.197 759 HB2 ASP 107 1HB ASP 107 -12.353 5.491 -0.876 760 HB3 ASP 107 2HB ASP 107 -13.437 4.154 -1.241 761 H GLY 108 H GLY 108 -15.364 3.465 -0.187 762 HA2 GLY 108 1HA GLY 108 -17.681 4.046 -1.812 763 HA3 GLY 108 2HA GLY 108 -17.248 2.489 -1.119 764 H ARG 109 H ARG 109 -16.968 3.697 1.570 765 HA ARG 109 HA ARG 109 -19.602 3.178 2.486 766 HB2 ARG 109 1HB ARG 109 -17.335 2.880 3.710 767 HB3 ARG 109 2HB ARG 109 -17.457 4.588 4.087 768 HG2 ARG 109 1HG ARG 109 -19.518 2.524 4.871 769 HG3 ARG 109 2HG ARG 109 -18.201 3.064 5.911 770 HD2 ARG 109 1HD ARG 109 -20.479 4.729 4.833 771 HD3 ARG 109 2HD ARG 109 -20.210 4.247 6.509 772 HE ARG 109 HE ARG 109 -17.952 5.627 5.832 773 HH11 ARG 109 1HH1 ARG 109 -21.381 6.373 5.767 774 HH12 ARG 109 2HH1 ARG 109 -21.138 8.074 6.033 775 HH21 ARG 109 1HH2 ARG 109 -17.642 7.856 6.165 776 HH22 ARG 109 2HH2 ARG 109 -19.021 8.913 6.261 777 H GLU 110 H GLU 110 -17.742 6.111 1.894 778 HA GLU 110 HA GLU 110 -19.687 7.876 3.062 779 HB2 GLU 110 1HB GLU 110 -17.272 8.414 3.019 780 HB3 GLU 110 2HB GLU 110 -17.320 8.474 1.264 781 HG2 GLU 110 1HG GLU 110 -17.338 10.709 2.118 782 HG3 GLU 110 2HG GLU 110 -18.911 10.362 1.404 783 H GLN 111 H GLN 111 -18.557 7.340 -0.300 784 HA GLN 111 HA GLN 111 -21.219 8.060 -1.285 785 HB2 GLN 111 1HB GLN 111 -18.678 9.420 -2.233 786 HB3 GLN 111 2HB GLN 111 -20.270 9.622 -2.950 787 HG2 GLN 111 1HG GLN 111 -21.076 10.583 -0.828 788 HG3 GLN 111 2HG GLN 111 -19.449 10.433 -0.167 789 HE21 GLN 111 1HE2 GLN 111 -20.133 13.860 -1.572 790 HE22 GLN 111 2HE2 GLN 111 -21.038 12.818 -0.528 791 H LEU 112 H LEU 112 -21.781 6.985 -3.124 792 HA LEU 112 HA LEU 112 -20.156 4.808 -3.953 793 HB2 LEU 112 1HB LEU 112 -21.930 4.471 -5.711 794 HB3 LEU 112 2HB LEU 112 -22.473 4.433 -4.048 795 HG LEU 112 HG LEU 112 -23.131 6.929 -4.455 796 HD11 LEU 112 1HD1 LEU 112 -23.052 5.916 -7.296 797 HD12 LEU 112 2HD1 LEU 112 -22.036 7.188 -6.616 798 HD13 LEU 112 3HD1 LEU 112 -23.777 7.430 -6.752 799 HD21 LEU 112 1HD2 LEU 112 -24.669 4.658 -5.720 800 HD22 LEU 112 2HD2 LEU 112 -25.328 6.234 -5.284 801 HD23 LEU 112 3HD2 LEU 112 -24.731 5.152 -4.027 802 H ARG 113 H ARG 113 -19.119 4.442 -5.874 803 HA ARG 113 HA ARG 113 -17.396 6.473 -6.640 804 HB2 ARG 113 1HB ARG 113 -17.258 3.859 -6.820 805 HB3 ARG 113 2HB ARG 113 -17.925 4.113 -8.424 806 HG2 ARG 113 1HG ARG 113 -15.559 3.942 -8.629 807 HG3 ARG 113 2HG ARG 113 -15.994 5.629 -8.909 808 HD2 ARG 113 1HD ARG 113 -15.156 6.312 -6.822 809 HD3 ARG 113 2HD ARG 113 -15.164 4.668 -6.181 810 HE ARG 113 HE ARG 113 -13.343 5.368 -8.381 811 HH11 ARG 113 1HH1 ARG 113 -13.780 4.509 -5.005 812 HH12 ARG 113 2HH1 ARG 113 -12.161 3.906 -4.827 813 HH21 ARG 113 1HH2 ARG 113 -11.216 4.589 -8.139 814 HH22 ARG 113 2HH2 ARG 113 -10.698 3.986 -6.599 815 H ALA 114 H ALA 114 -20.451 5.517 -8.022 816 HA ALA 114 HA ALA 114 -20.143 6.620 -10.603 817 HB1 ALA 114 1HB ALA 114 -22.692 6.137 -9.064 818 HB2 ALA 114 2HB ALA 114 -21.850 4.952 -10.063 819 HB3 ALA 114 3HB ALA 114 -22.557 6.388 -10.805 820 H LEU 115 H LEU 115 -20.323 8.245 -7.670 821 HA LEU 115 HA LEU 115 -21.884 10.503 -8.538 822 HB2 LEU 115 1HB LEU 115 -20.206 9.933 -6.115 823 HB3 LEU 115 2HB LEU 115 -20.830 11.544 -6.410 824 HG LEU 115 HG LEU 115 -22.480 9.038 -6.021 825 HD11 LEU 115 1HD1 LEU 115 -23.249 10.165 -3.976 826 HD12 LEU 115 2HD1 LEU 115 -22.096 11.467 -4.274 827 HD13 LEU 115 3HD1 LEU 115 -21.519 9.833 -3.949 828 HD21 LEU 115 1HD2 LEU 115 -23.384 11.883 -6.478 829 HD22 LEU 115 2HD2 LEU 115 -24.425 10.507 -6.107 830 HD23 LEU 115 3HD2 LEU 115 -23.536 10.553 -7.629 831 H GLY 116 H GLY 116 -19.153 9.606 -9.823 832 HA2 GLY 116 1HA GLY 116 -17.349 11.749 -9.640 833 HA3 GLY 116 2HA GLY 116 -17.514 10.675 -11.022 834 H PHE 117 H PHE 117 -18.348 13.746 -9.665 835 HA PHE 117 HA PHE 117 -20.386 14.470 -11.507 836 HB2 PHE 117 2HB PHE 117 -20.178 15.514 -9.290 837 HB3 PHE 117 1HB PHE 117 -18.635 16.218 -9.753 838 HD1 PHE 117 1HD PHE 117 -18.536 18.280 -10.888 839 HD2 PHE 117 2HD PHE 117 -22.267 16.252 -10.515 840 HE1 PHE 117 1HE PHE 117 -19.700 20.267 -11.750 841 HE2 PHE 117 2HE PHE 117 -23.433 18.239 -11.378 842 HZ PHE 117 HZ PHE 117 -22.151 20.249 -11.997 843 H THR 118 H THR 118 -19.920 14.497 -13.625 844 HA THR 118 HA THR 118 -17.755 16.291 -14.510 845 HB THR 118 HB THR 118 -18.633 13.762 -15.939 846 HG1 THR 118 1HG THR 118 -17.365 13.455 -13.963 847 HG21 THR 118 1HG2 THR 118 -16.383 15.703 -16.509 848 HG22 THR 118 2HG2 THR 118 -17.840 15.482 -17.479 849 HG23 THR 118 3HG2 THR 118 -16.656 14.181 -17.356 850 H VAL 119 H VAL 119 -18.402 17.884 -15.832 851 HA VAL 119 HA VAL 119 -21.192 17.979 -16.670 852 HB VAL 119 HB VAL 119 -19.015 20.080 -16.921 853 HG11 VAL 119 1HG1 VAL 119 -20.838 21.650 -17.366 854 HG12 VAL 119 2HG1 VAL 119 -22.007 20.332 -17.288 855 HG13 VAL 119 3HG1 VAL 119 -20.801 20.368 -18.576 856 HG21 VAL 119 1HG2 VAL 119 -21.241 19.838 -14.886 857 HG22 VAL 119 2HG2 VAL 119 -20.092 21.170 -15.008 858 HG23 VAL 119 3HG2 VAL 119 -19.526 19.556 -14.580 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 15.332 -3.581 3.864 2 H2 GLY 1 2H GLY 1 16.836 -4.291 4.148 3 H3 GLY 1 3H GLY 1 16.365 -2.931 5.036 4 HA2 GLY 1 1HA GLY 1 16.160 -4.916 6.381 5 HA3 GLY 1 2HA GLY 1 14.587 -4.187 6.075 6 HA PRO 2 HA PRO 2 14.819 -8.891 4.982 7 HB2 PRO 2 2HB PRO 2 12.420 -8.714 6.770 8 HB3 PRO 2 1HB PRO 2 13.620 -10.003 6.621 9 HG2 PRO 2 2HG PRO 2 13.703 -8.329 8.685 10 HG3 PRO 2 1HG PRO 2 15.201 -8.861 7.896 11 HD2 PRO 2 2HD PRO 2 13.781 -6.239 7.694 12 HD3 PRO 2 1HD PRO 2 15.523 -6.582 7.686 13 H GLY 3 H GLY 3 11.851 -6.971 5.567 14 HA2 GLY 3 1HA GLY 3 10.508 -8.064 3.268 15 HA3 GLY 3 2HA GLY 3 9.944 -6.739 4.277 16 H SER 4 H SER 4 12.267 -7.541 1.722 17 HA SER 4 HA SER 4 12.811 -4.783 1.122 18 HB2 SER 4 1HB SER 4 14.473 -6.675 0.878 19 HB3 SER 4 2HB SER 4 13.548 -7.222 -0.520 20 HG SER 4 HG SER 4 13.913 -4.816 -1.136 21 H MET 5 H MET 5 10.942 -7.402 -0.371 22 HA MET 5 HA MET 5 9.329 -5.434 -1.809 23 HB2 MET 5 1HB MET 5 10.762 -7.732 -3.178 24 HB3 MET 5 2HB MET 5 9.429 -6.849 -3.904 25 HG2 MET 5 1HG MET 5 10.771 -4.777 -3.768 26 HG3 MET 5 2HG MET 5 12.117 -5.723 -3.135 27 HE1 MET 5 1HE MET 5 13.324 -7.687 -4.551 28 HE2 MET 5 2HE MET 5 12.863 -8.108 -6.200 29 HE3 MET 5 3HE MET 5 11.755 -8.431 -4.866 30 H SER 6 H SER 6 7.232 -6.168 -2.280 31 HA SER 6 HA SER 6 6.502 -8.903 -1.546 32 HB2 SER 6 1HB SER 6 6.351 -7.593 0.566 33 HB3 SER 6 2HB SER 6 5.226 -6.486 -0.220 34 HG SER 6 HG SER 6 3.779 -8.222 -0.466 35 H GLU 7 H GLU 7 6.517 -6.898 -3.876 36 HA GLU 7 HA GLU 7 3.751 -6.382 -4.463 37 HB2 GLU 7 1HB GLU 7 6.226 -6.122 -6.193 38 HB3 GLU 7 2HB GLU 7 4.629 -5.530 -6.625 39 HG2 GLU 7 1HG GLU 7 6.073 -3.733 -5.810 40 HG3 GLU 7 2HG GLU 7 4.668 -3.961 -4.768 41 H THR 8 H THR 8 2.370 -7.588 -5.610 42 HA THR 8 HA THR 8 3.374 -10.055 -6.887 43 HB THR 8 HB THR 8 1.070 -10.958 -6.436 44 HG1 THR 8 1HG THR 8 -0.013 -9.658 -4.677 45 HG21 THR 8 1HG2 THR 8 2.939 -11.482 -4.917 46 HG22 THR 8 2HG2 THR 8 1.413 -11.350 -4.044 47 HG23 THR 8 3HG2 THR 8 2.579 -10.029 -3.981 48 H SER 9 H SER 9 2.391 -7.084 -7.739 49 HA SER 9 HA SER 9 0.698 -8.000 -9.974 50 HB2 SER 9 1HB SER 9 0.610 -5.303 -8.585 51 HB3 SER 9 2HB SER 9 -0.456 -5.850 -9.880 52 HG SER 9 HG SER 9 -0.304 -7.476 -7.630 53 H ALA 10 H ALA 10 0.826 -6.719 -11.916 54 HA ALA 10 HA ALA 10 1.770 -5.502 -13.569 55 HB1 ALA 10 1HB ALA 10 3.463 -3.822 -13.118 56 HB2 ALA 10 2HB ALA 10 3.726 -4.488 -11.506 57 HB3 ALA 10 3HB ALA 10 2.180 -3.740 -11.909 58 HA PRO 11 HA PRO 11 4.889 -8.317 -15.023 59 HB2 PRO 11 2HB PRO 11 5.685 -6.959 -17.264 60 HB3 PRO 11 1HB PRO 11 4.180 -7.880 -17.162 61 HG2 PRO 11 2HG PRO 11 4.618 -4.930 -16.886 62 HG3 PRO 11 1HG PRO 11 3.321 -5.797 -17.729 63 HD2 PRO 11 2HD PRO 11 2.992 -4.692 -15.275 64 HD3 PRO 11 1HD PRO 11 2.129 -6.156 -15.788 65 H ALA 12 H ALA 12 7.135 -8.543 -15.112 66 HA ALA 12 HA ALA 12 8.528 -7.296 -13.129 67 HB1 ALA 12 1HB ALA 12 9.722 -8.591 -15.574 68 HB2 ALA 12 2HB ALA 12 9.167 -9.428 -14.125 69 HB3 ALA 12 3HB ALA 12 10.540 -8.324 -14.035 70 H GLU 13 H GLU 13 8.752 -6.463 -16.601 71 HA GLU 13 HA GLU 13 10.968 -4.783 -16.399 72 HB2 GLU 13 1HB GLU 13 8.694 -4.590 -18.387 73 HB3 GLU 13 2HB GLU 13 10.278 -3.848 -18.566 74 HG2 GLU 13 1HG GLU 13 11.287 -6.117 -18.532 75 HG3 GLU 13 2HG GLU 13 9.660 -6.797 -18.504 76 H GLU 14 H GLU 14 7.513 -3.904 -16.358 77 HA GLU 14 HA GLU 14 8.042 -1.131 -15.859 78 HB2 GLU 14 1HB GLU 14 5.517 -2.786 -15.700 79 HB3 GLU 14 2HB GLU 14 5.551 -1.055 -15.391 80 HG2 GLU 14 1HG GLU 14 6.170 -0.573 -17.626 81 HG3 GLU 14 2HG GLU 14 6.513 -2.267 -17.971 82 H LEU 15 H LEU 15 6.979 -3.869 -13.892 83 HA LEU 15 HA LEU 15 6.356 -2.532 -11.543 84 HB2 LEU 15 1HB LEU 15 5.856 -4.921 -12.063 85 HB3 LEU 15 2HB LEU 15 7.542 -5.308 -11.803 86 HG LEU 15 HG LEU 15 5.899 -5.858 -9.920 87 HD11 LEU 15 1HD1 LEU 15 7.473 -5.304 -8.157 88 HD12 LEU 15 2HD1 LEU 15 8.285 -4.151 -9.214 89 HD13 LEU 15 3HD1 LEU 15 8.322 -5.872 -9.593 90 HD21 LEU 15 1HD2 LEU 15 5.360 -4.033 -8.373 91 HD22 LEU 15 2HD2 LEU 15 4.616 -3.798 -9.954 92 HD23 LEU 15 3HD2 LEU 15 6.049 -2.871 -9.508 93 H LEU 16 H LEU 16 9.480 -3.827 -12.617 94 HA LEU 16 HA LEU 16 10.931 -3.519 -10.278 95 HB2 LEU 16 1HB LEU 16 11.775 -4.672 -12.264 96 HB3 LEU 16 2HB LEU 16 11.877 -3.149 -13.127 97 HG LEU 16 HG LEU 16 13.612 -2.379 -11.516 98 HD11 LEU 16 1HD1 LEU 16 13.471 -5.204 -10.454 99 HD12 LEU 16 2HD1 LEU 16 12.936 -3.756 -9.600 100 HD13 LEU 16 3HD1 LEU 16 14.643 -3.970 -9.988 101 HD21 LEU 16 1HD2 LEU 16 14.258 -3.416 -13.645 102 HD22 LEU 16 2HD2 LEU 16 14.242 -5.005 -12.878 103 HD23 LEU 16 3HD2 LEU 16 15.417 -3.791 -12.369 104 H ALA 17 H ALA 17 10.810 -1.192 -12.983 105 HA ALA 17 HA ALA 17 12.292 0.806 -11.626 106 HB1 ALA 17 1HB ALA 17 11.669 2.261 -13.484 107 HB2 ALA 17 2HB ALA 17 10.452 1.094 -14.007 108 HB3 ALA 17 3HB ALA 17 12.164 0.673 -14.072 109 H ASP 18 H ASP 18 8.837 0.304 -12.157 110 HA ASP 18 HA ASP 18 7.959 2.781 -11.173 111 HB2 ASP 18 1HB ASP 18 6.636 1.064 -12.536 112 HB3 ASP 18 2HB ASP 18 6.359 0.219 -11.015 113 H VAL 19 H VAL 19 8.234 -0.390 -9.559 114 HA VAL 19 HA VAL 19 7.400 0.587 -7.024 115 HB VAL 19 HB VAL 19 7.417 -1.869 -7.760 116 HG11 VAL 19 1HG1 VAL 19 9.761 -1.975 -8.505 117 HG12 VAL 19 2HG1 VAL 19 9.411 -3.178 -7.262 118 HG13 VAL 19 3HG1 VAL 19 10.296 -1.710 -6.842 119 HG21 VAL 19 1HG2 VAL 19 8.528 -1.127 -5.051 120 HG22 VAL 19 2HG2 VAL 19 7.779 -2.669 -5.458 121 HG23 VAL 19 3HG2 VAL 19 6.827 -1.188 -5.505 122 H GLU 20 H GLU 20 10.518 0.265 -8.636 123 HA GLU 20 HA GLU 20 12.242 0.744 -6.510 124 HB2 GLU 20 1HB GLU 20 12.813 0.215 -8.948 125 HB3 GLU 20 2HB GLU 20 12.585 1.924 -9.280 126 HG2 GLU 20 1HG GLU 20 14.540 0.969 -7.208 127 HG3 GLU 20 2HG GLU 20 14.963 1.052 -8.914 128 H GLU 21 H GLU 21 10.612 3.103 -8.631 129 HA GLU 21 HA GLU 21 11.453 5.390 -7.161 130 HB2 GLU 21 1HB GLU 21 9.022 5.104 -8.943 131 HB3 GLU 21 2HB GLU 21 9.774 6.614 -8.443 132 HG2 GLU 21 1HG GLU 21 11.844 5.897 -9.646 133 HG3 GLU 21 2HG GLU 21 10.939 4.511 -10.257 134 H ALA 22 H ALA 22 8.406 3.559 -7.210 135 HA ALA 22 HA ALA 22 6.923 5.178 -5.504 136 HB1 ALA 22 1HB ALA 22 5.943 3.410 -6.893 137 HB2 ALA 22 2HB ALA 22 5.437 3.264 -5.209 138 HB3 ALA 22 3HB ALA 22 6.676 2.185 -5.856 139 H MET 23 H MET 23 9.215 2.632 -4.745 140 HA MET 23 HA MET 23 8.532 2.173 -2.078 141 HB2 MET 23 1HB MET 23 11.041 1.786 -3.667 142 HB3 MET 23 2HB MET 23 11.096 1.572 -1.921 143 HG2 MET 23 1HG MET 23 9.234 0.097 -3.785 144 HG3 MET 23 2HG MET 23 10.751 -0.540 -3.148 145 HE1 MET 23 1HE MET 23 9.524 -2.685 -2.147 146 HE2 MET 23 2HE MET 23 8.009 -2.098 -2.834 147 HE3 MET 23 3HE MET 23 8.076 -2.592 -1.143 148 H ARG 24 H ARG 24 10.172 4.845 -3.526 149 HA ARG 24 HA ARG 24 11.624 5.758 -1.258 150 HB2 ARG 24 1HB ARG 24 12.037 6.474 -3.625 151 HB3 ARG 24 2HB ARG 24 10.543 7.399 -3.569 152 HG2 ARG 24 1HG ARG 24 12.421 8.870 -3.211 153 HG3 ARG 24 2HG ARG 24 11.471 8.755 -1.728 154 HD2 ARG 24 1HD ARG 24 13.091 7.018 -0.925 155 HD3 ARG 24 2HD ARG 24 14.081 7.365 -2.343 156 HE ARG 24 HE ARG 24 13.458 9.704 -0.792 157 HH11 ARG 24 1HH1 ARG 24 15.666 7.012 -1.145 158 HH12 ARG 24 2HH1 ARG 24 16.934 7.764 -0.235 159 HH21 ARG 24 1HH2 ARG 24 15.119 10.680 0.447 160 HH22 ARG 24 2HH2 ARG 24 16.620 9.840 0.678 161 H ASP 25 H ASP 25 8.282 5.737 -1.946 162 HA ASP 25 HA ASP 25 7.799 7.773 0.147 163 HB2 ASP 25 1HB ASP 25 6.041 7.118 -2.239 164 HB3 ASP 25 2HB ASP 25 5.621 8.243 -0.952 165 H VAL 26 H VAL 26 7.165 4.624 -1.096 166 HA VAL 26 HA VAL 26 5.097 3.832 0.642 167 HB VAL 26 HB VAL 26 7.235 2.289 -0.838 168 HG11 VAL 26 1HG1 VAL 26 6.668 0.997 1.121 169 HG12 VAL 26 2HG1 VAL 26 5.975 0.248 -0.314 170 HG13 VAL 26 3HG1 VAL 26 4.949 1.177 0.778 171 HG21 VAL 26 1HG2 VAL 26 5.362 1.614 -2.274 172 HG22 VAL 26 2HG2 VAL 26 5.528 3.370 -2.220 173 HG23 VAL 26 3HG2 VAL 26 4.256 2.576 -1.287 174 H VAL 27 H VAL 27 8.625 3.781 0.918 175 HA VAL 27 HA VAL 27 8.483 2.706 3.628 176 HB VAL 27 HB VAL 27 10.312 2.058 1.953 177 HG11 VAL 27 1HG1 VAL 27 11.392 4.791 2.670 178 HG12 VAL 27 2HG1 VAL 27 10.805 4.293 1.086 179 HG13 VAL 27 3HG1 VAL 27 12.248 3.544 1.764 180 HG21 VAL 27 1HG2 VAL 27 10.479 1.547 4.336 181 HG22 VAL 27 2HG2 VAL 27 11.187 3.133 4.638 182 HG23 VAL 27 3HG2 VAL 27 12.059 1.948 3.664 183 H ASP 28 H ASP 28 9.209 3.901 5.467 184 HA ASP 28 HA ASP 28 9.173 6.807 5.184 185 HB2 ASP 28 1HB ASP 28 7.891 5.954 7.062 186 HB3 ASP 28 2HB ASP 28 9.272 5.022 7.637 187 HA PRO 29 HA PRO 29 13.656 6.136 5.051 188 HB2 PRO 29 2HB PRO 29 14.271 8.092 3.332 189 HB3 PRO 29 1HB PRO 29 13.444 6.632 2.785 190 HG2 PRO 29 2HG PRO 29 12.332 9.355 3.309 191 HG3 PRO 29 1HG PRO 29 11.922 8.201 2.026 192 HD2 PRO 29 2HD PRO 29 10.490 8.581 4.407 193 HD3 PRO 29 1HD PRO 29 10.347 7.185 3.322 194 H GLU 30 H GLU 30 11.779 8.654 6.303 195 HA GLU 30 HA GLU 30 13.802 10.519 7.007 196 HB2 GLU 30 1HB GLU 30 11.342 11.014 6.912 197 HB3 GLU 30 2HB GLU 30 11.138 10.065 8.378 198 HG2 GLU 30 1HG GLU 30 11.188 12.402 8.935 199 HG3 GLU 30 2HG GLU 30 12.640 11.625 9.564 200 H LEU 31 H LEU 31 12.019 8.144 9.023 201 HA LEU 31 HA LEU 31 14.256 8.204 10.937 202 HB2 LEU 31 1HB LEU 31 11.443 7.121 11.217 203 HB3 LEU 31 2HB LEU 31 12.685 6.948 12.441 204 HG LEU 31 HG LEU 31 11.303 8.727 13.153 205 HD11 LEU 31 1HD1 LEU 31 13.718 9.986 11.855 206 HD12 LEU 31 2HD1 LEU 31 13.699 9.148 13.407 207 HD13 LEU 31 3HD1 LEU 31 12.787 10.643 13.204 208 HD21 LEU 31 1HD2 LEU 31 11.586 9.953 10.409 209 HD22 LEU 31 2HD2 LEU 31 10.729 10.661 11.779 210 HD23 LEU 31 3HD2 LEU 31 10.142 9.165 11.053 211 H GLY 32 H GLY 32 12.770 6.253 8.528 212 HA2 GLY 32 1HA GLY 32 13.935 4.483 7.486 213 HA3 GLY 32 2HA GLY 32 14.885 4.268 8.946 214 H ILE 33 H ILE 33 11.389 4.276 8.231 215 HA ILE 33 HA ILE 33 11.231 1.560 9.409 216 HB ILE 33 HB ILE 33 9.088 3.700 9.415 217 HG12 ILE 33 1HG1 ILE 33 9.234 3.298 11.947 218 HG13 ILE 33 2HG1 ILE 33 10.747 2.461 11.616 219 HG21 ILE 33 1HG2 ILE 33 7.678 2.096 10.625 220 HG22 ILE 33 2HG2 ILE 33 8.917 0.858 10.418 221 HG23 ILE 33 3HG2 ILE 33 8.088 1.519 9.009 222 HD11 ILE 33 1HD1 ILE 33 10.150 5.338 10.974 223 HD12 ILE 33 2HD1 ILE 33 11.675 4.500 10.682 224 HD13 ILE 33 3HD1 ILE 33 11.111 4.753 12.332 225 H ASN 34 H ASN 34 10.013 0.043 8.300 226 HA ASN 34 HA ASN 34 9.125 0.835 5.598 227 HB2 ASN 34 1HB ASN 34 11.257 -0.294 5.348 228 HB3 ASN 34 2HB ASN 34 10.716 -1.630 6.361 229 HD21 ASN 34 1HD2 ASN 34 10.139 -3.238 3.301 230 HD22 ASN 34 2HD2 ASN 34 11.185 -3.078 4.669 231 H VAL 35 H VAL 35 7.003 0.618 5.557 232 HA VAL 35 HA VAL 35 5.438 -0.812 7.354 233 HB VAL 35 HB VAL 35 3.577 -0.531 5.747 234 HG11 VAL 35 1HG1 VAL 35 4.167 1.315 7.216 235 HG12 VAL 35 2HG1 VAL 35 3.631 1.930 5.653 236 HG13 VAL 35 3HG1 VAL 35 5.351 1.901 6.045 237 HG21 VAL 35 1HG2 VAL 35 4.770 -0.968 3.660 238 HG22 VAL 35 2HG2 VAL 35 5.712 0.508 3.870 239 HG23 VAL 35 3HG2 VAL 35 3.974 0.604 3.594 240 H VAL 36 H VAL 36 6.672 -1.777 4.177 241 HA VAL 36 HA VAL 36 5.337 -4.207 3.886 242 HB VAL 36 HB VAL 36 8.147 -3.521 2.977 243 HG11 VAL 36 1HG1 VAL 36 6.252 -5.663 1.977 244 HG12 VAL 36 2HG1 VAL 36 7.748 -5.929 2.876 245 HG13 VAL 36 3HG1 VAL 36 7.806 -5.248 1.250 246 HG21 VAL 36 1HG2 VAL 36 6.476 -1.909 2.193 247 HG22 VAL 36 2HG2 VAL 36 5.508 -3.225 1.527 248 HG23 VAL 36 3HG2 VAL 36 7.104 -2.877 0.859 249 H ASP 37 H ASP 37 8.056 -3.328 5.870 250 HA ASP 37 HA ASP 37 9.088 -5.964 6.222 251 HB2 ASP 37 1HB ASP 37 10.426 -3.838 6.472 252 HB3 ASP 37 2HB ASP 37 9.594 -3.568 8.001 253 H LEU 38 H LEU 38 6.426 -4.282 7.581 254 HA LEU 38 HA LEU 38 6.247 -5.613 10.079 255 HB2 LEU 38 1HB LEU 38 4.225 -4.316 8.272 256 HB3 LEU 38 2HB LEU 38 3.689 -5.223 9.671 257 HG LEU 38 HG LEU 38 3.791 -2.821 10.141 258 HD11 LEU 38 1HD1 LEU 38 5.091 -2.916 12.204 259 HD12 LEU 38 2HD1 LEU 38 5.887 -4.388 11.647 260 HD13 LEU 38 3HD1 LEU 38 4.154 -4.392 11.973 261 HD21 LEU 38 1HD2 LEU 38 5.597 -2.207 8.612 262 HD22 LEU 38 2HD2 LEU 38 6.758 -3.061 9.626 263 HD23 LEU 38 3HD2 LEU 38 5.921 -1.639 10.248 264 H GLY 39 H GLY 39 5.838 -6.672 6.863 265 HA2 GLY 39 1HA GLY 39 5.778 -8.811 6.065 266 HA3 GLY 39 2HA GLY 39 5.817 -9.384 7.719 267 H LEU 40 H LEU 40 3.226 -7.229 6.922 268 HA LEU 40 HA LEU 40 1.394 -9.507 6.701 269 HB2 LEU 40 1HB LEU 40 1.096 -6.712 7.585 270 HB3 LEU 40 2HB LEU 40 -0.222 -7.289 6.586 271 HG LEU 40 HG LEU 40 0.643 -8.284 9.293 272 HD11 LEU 40 1HD1 LEU 40 -1.695 -7.904 9.834 273 HD12 LEU 40 2HD1 LEU 40 -2.032 -7.457 8.159 274 HD13 LEU 40 3HD1 LEU 40 -0.979 -6.445 9.149 275 HD21 LEU 40 1HD2 LEU 40 0.409 -10.309 8.041 276 HD22 LEU 40 2HD2 LEU 40 -1.063 -9.725 7.265 277 HD23 LEU 40 3HD2 LEU 40 -1.062 -10.102 8.991 278 H VAL 41 H VAL 41 2.877 -7.060 4.832 279 HA VAL 41 HA VAL 41 0.842 -6.581 2.964 280 HB VAL 41 HB VAL 41 3.826 -6.239 2.541 281 HG11 VAL 41 1HG1 VAL 41 3.166 -4.449 0.979 282 HG12 VAL 41 2HG1 VAL 41 1.472 -4.877 1.219 283 HG13 VAL 41 3HG1 VAL 41 2.575 -6.031 0.467 284 HG21 VAL 41 1HG2 VAL 41 3.122 -5.141 4.604 285 HG22 VAL 41 2HG2 VAL 41 1.827 -4.313 3.740 286 HG23 VAL 41 3HG2 VAL 41 3.511 -3.946 3.368 287 H TYR 42 H TYR 42 2.833 -9.295 3.342 288 HA TYR 42 HA TYR 42 3.100 -10.204 0.693 289 HB2 TYR 42 2HB TYR 42 2.818 -11.791 3.262 290 HB3 TYR 42 1HB TYR 42 3.316 -12.471 1.717 291 HD1 TYR 42 1HD TYR 42 5.528 -11.915 0.769 292 HD2 TYR 42 2HD TYR 42 4.340 -10.463 4.590 293 HE1 TYR 42 1HE TYR 42 7.867 -11.340 1.270 294 HE2 TYR 42 2HE TYR 42 6.673 -9.886 5.101 295 HH TYR 42 HH TYR 42 8.900 -10.436 4.439 296 H GLY 43 H GLY 43 0.390 -9.895 2.753 297 HA2 GLY 43 1HA GLY 43 -1.337 -11.608 1.148 298 HA3 GLY 43 2HA GLY 43 -1.816 -10.631 2.534 299 H LEU 44 H LEU 44 -0.467 -10.186 -0.716 300 HA LEU 44 HA LEU 44 -2.325 -7.935 -1.130 301 HB2 LEU 44 1HB LEU 44 0.146 -7.341 -0.727 302 HB3 LEU 44 2HB LEU 44 0.467 -8.080 -2.280 303 HG LEU 44 HG LEU 44 -1.412 -5.732 -1.912 304 HD11 LEU 44 1HD1 LEU 44 1.500 -5.711 -2.717 305 HD12 LEU 44 2HD1 LEU 44 0.834 -5.094 -1.204 306 HD13 LEU 44 3HD1 LEU 44 0.414 -4.320 -2.732 307 HD21 LEU 44 1HD2 LEU 44 -1.081 -5.422 -4.330 308 HD22 LEU 44 2HD2 LEU 44 -1.805 -6.986 -3.966 309 HD23 LEU 44 3HD2 LEU 44 -0.094 -6.884 -4.378 310 H ASP 45 H ASP 45 -3.554 -8.135 -2.873 311 HA ASP 45 HA ASP 45 -2.638 -9.572 -5.239 312 HB2 ASP 45 1HB ASP 45 -5.031 -10.445 -3.603 313 HB3 ASP 45 2HB ASP 45 -4.947 -10.751 -5.333 314 H VAL 46 H VAL 46 -4.421 -9.299 -6.999 315 HA VAL 46 HA VAL 46 -6.123 -6.973 -6.459 316 HB VAL 46 HB VAL 46 -5.650 -5.948 -8.618 317 HG11 VAL 46 1HG1 VAL 46 -3.393 -5.123 -8.225 318 HG12 VAL 46 2HG1 VAL 46 -3.068 -6.470 -7.136 319 HG13 VAL 46 3HG1 VAL 46 -4.270 -5.257 -6.704 320 HG21 VAL 46 1HG2 VAL 46 -3.832 -6.733 -10.055 321 HG22 VAL 46 2HG2 VAL 46 -5.106 -7.941 -9.899 322 HG23 VAL 46 3HG2 VAL 46 -3.601 -8.127 -9.003 323 H GLN 47 H GLN 47 -8.150 -7.187 -7.227 324 HA GLN 47 HA GLN 47 -8.699 -9.499 -8.984 325 HB2 GLN 47 1HB GLN 47 -10.846 -9.797 -7.796 326 HB3 GLN 47 2HB GLN 47 -9.461 -10.040 -6.741 327 HG2 GLN 47 1HG GLN 47 -9.774 -7.790 -5.817 328 HG3 GLN 47 2HG GLN 47 -11.165 -7.554 -6.872 329 HE21 GLN 47 1HE2 GLN 47 -11.811 -10.588 -4.248 330 HE22 GLN 47 2HE2 GLN 47 -10.484 -10.621 -5.350 331 H ASP 48 H ASP 48 -10.341 -9.234 -10.519 332 HA ASP 48 HA ASP 48 -10.821 -6.411 -11.154 333 HB2 ASP 48 1HB ASP 48 -10.993 -7.011 -13.429 334 HB3 ASP 48 2HB ASP 48 -9.656 -7.972 -12.810 335 H GLY 49 H GLY 49 -12.769 -5.578 -10.880 336 HA2 GLY 49 1HA GLY 49 -15.153 -7.274 -10.938 337 HA3 GLY 49 2HA GLY 49 -15.106 -5.534 -10.642 338 H ASP 50 H ASP 50 -16.930 -6.567 -12.503 339 HA ASP 50 HA ASP 50 -15.836 -6.653 -15.122 340 HB2 ASP 50 1HB ASP 50 -18.087 -7.588 -14.498 341 HB3 ASP 50 2HB ASP 50 -18.690 -5.936 -14.401 342 H GLU 51 H GLU 51 -16.579 -4.124 -12.980 343 HA GLU 51 HA GLU 51 -16.809 -2.008 -14.910 344 HB2 GLU 51 1HB GLU 51 -16.055 -1.670 -12.001 345 HB3 GLU 51 2HB GLU 51 -16.859 -0.515 -13.050 346 HG2 GLU 51 1HG GLU 51 -18.530 -1.275 -11.608 347 HG3 GLU 51 2HG GLU 51 -18.808 -2.157 -13.109 348 H GLY 52 H GLY 52 -14.275 -3.414 -12.916 349 HA2 GLY 52 1HA GLY 52 -12.122 -2.775 -14.522 350 HA3 GLY 52 2HA GLY 52 -12.298 -1.427 -13.405 351 H THR 53 H THR 53 -10.002 -2.775 -13.290 352 HA THR 53 HA THR 53 -10.136 -4.918 -11.342 353 HB THR 53 HB THR 53 -7.695 -3.563 -12.527 354 HG1 THR 53 1HG THR 53 -8.038 -5.963 -13.559 355 HG21 THR 53 1HG2 THR 53 -8.026 -6.228 -11.128 356 HG22 THR 53 2HG2 THR 53 -7.203 -4.811 -10.476 357 HG23 THR 53 3HG2 THR 53 -6.542 -5.646 -11.881 358 H VAL 54 H VAL 54 -9.914 -4.703 -9.213 359 HA VAL 54 HA VAL 54 -8.896 -2.162 -8.110 360 HB VAL 54 HB VAL 54 -11.291 -2.440 -7.647 361 HG11 VAL 54 1HG1 VAL 54 -12.116 -4.262 -6.239 362 HG12 VAL 54 2HG1 VAL 54 -10.515 -5.003 -6.247 363 HG13 VAL 54 3HG1 VAL 54 -11.436 -4.874 -7.747 364 HG21 VAL 54 1HG2 VAL 54 -9.923 -1.296 -5.981 365 HG22 VAL 54 2HG2 VAL 54 -9.584 -2.831 -5.180 366 HG23 VAL 54 3HG2 VAL 54 -11.228 -2.190 -5.201 367 H ALA 55 H ALA 55 -7.402 -2.259 -6.484 368 HA ALA 55 HA ALA 55 -5.955 -4.773 -6.233 369 HB1 ALA 55 1HB ALA 55 -4.261 -3.421 -5.065 370 HB2 ALA 55 2HB ALA 55 -5.334 -2.022 -5.125 371 HB3 ALA 55 3HB ALA 55 -4.705 -2.713 -6.618 372 H LEU 56 H LEU 56 -5.367 -5.693 -4.203 373 HA LEU 56 HA LEU 56 -7.058 -5.009 -1.880 374 HB2 LEU 56 1HB LEU 56 -6.250 -7.801 -2.731 375 HB3 LEU 56 2HB LEU 56 -7.229 -7.382 -1.339 376 HG LEU 56 HG LEU 56 -8.031 -7.046 -4.233 377 HD11 LEU 56 1HD1 LEU 56 -7.972 -9.375 -3.564 378 HD12 LEU 56 2HD1 LEU 56 -9.643 -8.837 -3.724 379 HD13 LEU 56 3HD1 LEU 56 -8.925 -9.016 -2.124 380 HD21 LEU 56 1HD2 LEU 56 -10.253 -6.488 -3.334 381 HD22 LEU 56 2HD2 LEU 56 -9.035 -5.312 -2.845 382 HD23 LEU 56 3HD2 LEU 56 -9.596 -6.527 -1.697 383 H ILE 57 H ILE 57 -5.819 -4.525 -0.150 384 HA ILE 57 HA ILE 57 -3.152 -5.786 0.061 385 HB ILE 57 HB ILE 57 -3.741 -2.885 0.707 386 HG12 ILE 57 1HG1 ILE 57 -2.131 -4.080 -1.571 387 HG13 ILE 57 2HG1 ILE 57 -3.701 -3.296 -1.728 388 HG21 ILE 57 1HG2 ILE 57 -1.322 -2.700 1.073 389 HG22 ILE 57 2HG2 ILE 57 -1.139 -4.425 0.756 390 HG23 ILE 57 3HG2 ILE 57 -2.046 -3.880 2.168 391 HD11 ILE 57 1HD1 ILE 57 -2.721 -1.189 -0.979 392 HD12 ILE 57 2HD1 ILE 57 -1.905 -1.819 -2.409 393 HD13 ILE 57 3HD1 ILE 57 -1.149 -1.977 -0.824 394 H ASP 58 H ASP 58 -3.141 -7.001 1.841 395 HA ASP 58 HA ASP 58 -4.760 -6.352 4.170 396 HB2 ASP 58 1HB ASP 58 -4.523 -8.691 3.506 397 HB3 ASP 58 2HB ASP 58 -2.775 -8.589 3.640 398 H MET 59 H MET 59 -4.072 -5.023 5.751 399 HA MET 59 HA MET 59 -1.187 -4.730 6.246 400 HB2 MET 59 1HB MET 59 -3.034 -2.614 5.231 401 HB3 MET 59 2HB MET 59 -1.832 -2.137 6.422 402 HG2 MET 59 1HG MET 59 -1.167 -3.560 3.853 403 HG3 MET 59 2HG MET 59 -1.157 -1.807 4.043 404 HE1 MET 59 1HE MET 59 -0.045 -1.421 6.981 405 HE2 MET 59 2HE MET 59 0.547 -0.486 5.607 406 HE3 MET 59 3HE MET 59 1.688 -1.283 6.689 407 H THR 60 H THR 60 -0.777 -3.284 8.148 408 HA THR 60 HA THR 60 -2.898 -3.009 10.090 409 HB THR 60 HB THR 60 -2.040 -5.360 10.441 410 HG1 THR 60 1HG THR 60 -2.857 -4.719 12.300 411 HG21 THR 60 1HG2 THR 60 0.493 -3.916 11.257 412 HG22 THR 60 2HG2 THR 60 0.315 -5.015 9.890 413 HG23 THR 60 3HG2 THR 60 0.156 -5.624 11.536 414 H LEU 61 H LEU 61 -1.678 -2.220 12.254 415 HA LEU 61 HA LEU 61 0.249 -0.151 11.391 416 HB2 LEU 61 1HB LEU 61 -1.912 0.138 13.492 417 HB3 LEU 61 2HB LEU 61 -0.793 1.386 12.972 418 HG LEU 61 HG LEU 61 -2.900 0.120 11.200 419 HD11 LEU 61 1HD1 LEU 61 -4.104 2.221 11.392 420 HD12 LEU 61 2HD1 LEU 61 -2.890 2.830 12.519 421 HD13 LEU 61 3HD1 LEU 61 -3.909 1.464 12.974 422 HD21 LEU 61 1HD2 LEU 61 -1.085 2.488 10.728 423 HD22 LEU 61 2HD2 LEU 61 -2.359 1.931 9.644 424 HD23 LEU 61 3HD2 LEU 61 -0.956 0.910 9.950 425 H THR 62 H THR 62 1.685 0.609 13.093 426 HA THR 62 HA THR 62 3.196 -1.378 14.198 427 HB THR 62 HB THR 62 4.109 0.466 15.731 428 HG1 THR 62 1HG THR 62 3.278 2.525 15.391 429 HG21 THR 62 1HG2 THR 62 5.098 -0.027 13.536 430 HG22 THR 62 2HG2 THR 62 5.117 1.706 13.864 431 HG23 THR 62 3HG2 THR 62 3.919 1.032 12.761 432 H SER 63 H SER 63 1.098 0.772 16.140 433 HA SER 63 HA SER 63 0.980 -1.320 18.214 434 HB2 SER 63 1HB SER 63 1.778 0.917 18.930 435 HB3 SER 63 2HB SER 63 0.260 1.626 18.385 436 HG SER 63 HG SER 63 -0.439 -0.312 19.978 437 H ALA 64 H ALA 64 -0.661 -0.512 15.593 438 HA ALA 64 HA ALA 64 -2.763 -0.706 14.776 439 HB1 ALA 64 1HB ALA 64 -4.256 -2.320 15.818 440 HB2 ALA 64 2HB ALA 64 -3.280 -2.303 17.286 441 HB3 ALA 64 3HB ALA 64 -2.605 -2.937 15.785 442 H ALA 65 H ALA 65 -2.088 1.238 17.231 443 HA ALA 65 HA ALA 65 -4.834 2.307 17.391 444 HB1 ALA 65 1HB ALA 65 -4.251 3.276 19.554 445 HB2 ALA 65 2HB ALA 65 -2.622 2.609 19.432 446 HB3 ALA 65 3HB ALA 65 -4.009 1.529 19.577 447 H CYS 66 H CYS 66 -1.836 2.713 16.083 448 HA CYS 66 HA CYS 66 -1.460 5.537 16.405 449 HB2 CYS 66 2HB CYS 66 -0.149 3.738 14.355 450 HB3 CYS 66 1HB CYS 66 0.482 5.233 15.044 451 HG CYS 66 HG CYS 66 1.982 3.920 16.654 452 HA PRO 67 HA PRO 67 -4.046 6.743 13.000 453 HB2 PRO 67 2HB PRO 67 -3.235 9.278 12.643 454 HB3 PRO 67 1HB PRO 67 -4.073 8.780 14.119 455 HG2 PRO 67 2HG PRO 67 -1.140 9.204 13.656 456 HG3 PRO 67 1HG PRO 67 -2.137 9.687 15.042 457 HD2 PRO 67 2HD PRO 67 -0.541 7.443 14.996 458 HD3 PRO 67 1HD PRO 67 -1.972 7.624 16.029 459 H LEU 68 H LEU 68 -1.484 5.332 12.352 460 HA LEU 68 HA LEU 68 -0.203 6.795 10.232 461 HB2 LEU 68 1HB LEU 68 0.111 3.921 11.124 462 HB3 LEU 68 2HB LEU 68 1.127 4.719 9.937 463 HG LEU 68 HG LEU 68 0.909 5.456 12.866 464 HD11 LEU 68 1HD1 LEU 68 3.144 4.150 11.311 465 HD12 LEU 68 2HD1 LEU 68 2.116 3.374 12.518 466 HD13 LEU 68 3HD1 LEU 68 3.224 4.659 12.998 467 HD21 LEU 68 1HD2 LEU 68 2.664 6.622 10.699 468 HD22 LEU 68 2HD2 LEU 68 2.746 7.012 12.417 469 HD23 LEU 68 3HD2 LEU 68 1.310 7.431 11.488 470 H THR 69 H THR 69 -3.021 5.037 10.444 471 HA THR 69 HA THR 69 -3.093 3.612 8.052 472 HB THR 69 HB THR 69 -4.835 3.467 9.819 473 HG1 THR 69 1HG THR 69 -6.041 4.180 7.334 474 HG21 THR 69 1HG2 THR 69 -6.666 5.100 9.863 475 HG22 THR 69 2HG2 THR 69 -5.809 6.099 8.690 476 HG23 THR 69 3HG2 THR 69 -5.128 5.849 10.298 477 H ASP 70 H ASP 70 -3.541 7.011 8.748 478 HA ASP 70 HA ASP 70 -4.548 7.870 6.278 479 HB2 ASP 70 1HB ASP 70 -4.715 9.405 8.049 480 HB3 ASP 70 2HB ASP 70 -3.024 9.220 8.496 481 H VAL 71 H VAL 71 -1.173 7.725 7.463 482 HA VAL 71 HA VAL 71 -0.092 8.766 5.056 483 HB VAL 71 HB VAL 71 1.127 8.915 7.199 484 HG11 VAL 71 1HG1 VAL 71 0.652 6.722 8.132 485 HG12 VAL 71 2HG1 VAL 71 2.394 6.983 8.044 486 HG13 VAL 71 3HG1 VAL 71 1.595 5.949 6.856 487 HG21 VAL 71 1HG2 VAL 71 2.315 9.190 5.073 488 HG22 VAL 71 2HG2 VAL 71 2.657 7.460 5.036 489 HG23 VAL 71 3HG2 VAL 71 3.354 8.470 6.302 490 H ILE 72 H ILE 72 -0.594 5.424 6.219 491 HA ILE 72 HA ILE 72 0.804 4.229 4.050 492 HB ILE 72 HB ILE 72 -0.215 2.124 4.616 493 HG12 ILE 72 1HG1 ILE 72 -1.954 3.659 6.559 494 HG13 ILE 72 2HG1 ILE 72 -2.513 2.944 5.048 495 HG21 ILE 72 1HG2 ILE 72 0.521 1.945 6.952 496 HG22 ILE 72 2HG2 ILE 72 0.550 3.704 7.073 497 HG23 ILE 72 3HG2 ILE 72 1.652 2.878 5.973 498 HD11 ILE 72 1HD1 ILE 72 -3.066 1.528 6.917 499 HD12 ILE 72 2HD1 ILE 72 -1.368 1.467 7.396 500 HD13 ILE 72 3HD1 ILE 72 -1.883 0.739 5.874 501 H GLU 73 H GLU 73 -2.600 5.077 4.538 502 HA GLU 73 HA GLU 73 -3.593 4.102 2.100 503 HB2 GLU 73 1HB GLU 73 -4.471 6.382 3.876 504 HB3 GLU 73 2HB GLU 73 -5.326 5.978 2.393 505 HG2 GLU 73 1HG GLU 73 -5.826 3.766 3.241 506 HG3 GLU 73 2HG GLU 73 -4.894 4.086 4.700 507 H ASP 74 H ASP 74 -2.234 7.253 2.973 508 HA ASP 74 HA ASP 74 -2.668 8.577 0.562 509 HB2 ASP 74 1HB ASP 74 -1.929 9.629 2.710 510 HB3 ASP 74 2HB ASP 74 -0.326 8.950 2.457 511 H GLN 75 H GLN 75 0.230 6.798 1.649 512 HA GLN 75 HA GLN 75 1.711 7.248 -0.706 513 HB2 GLN 75 1HB GLN 75 3.198 5.428 0.098 514 HB3 GLN 75 2HB GLN 75 2.871 6.656 1.319 515 HG2 GLN 75 1HG GLN 75 1.253 5.237 2.375 516 HG3 GLN 75 2HG GLN 75 1.431 4.034 1.107 517 HE21 GLN 75 1HE2 GLN 75 4.847 4.388 3.273 518 HE22 GLN 75 2HE2 GLN 75 4.168 5.747 2.455 519 H SER 76 H SER 76 -0.308 4.505 0.328 520 HA SER 76 HA SER 76 0.307 2.876 -1.909 521 HB2 SER 76 1HB SER 76 -1.667 1.545 -1.188 522 HB3 SER 76 2HB SER 76 -0.580 1.921 0.150 523 HG SER 76 HG SER 76 -2.060 3.159 1.028 524 H ARG 77 H ARG 77 -2.610 4.827 -1.185 525 HA ARG 77 HA ARG 77 -3.987 4.358 -3.560 526 HB2 ARG 77 1HB ARG 77 -3.954 6.870 -1.860 527 HB3 ARG 77 2HB ARG 77 -5.121 6.555 -3.131 528 HG2 ARG 77 1HG ARG 77 -4.788 4.807 -0.701 529 HG3 ARG 77 2HG ARG 77 -5.936 6.142 -0.804 530 HD2 ARG 77 1HD ARG 77 -5.874 3.674 -2.541 531 HD3 ARG 77 2HD ARG 77 -7.052 4.048 -1.283 532 HE ARG 77 HE ARG 77 -6.945 6.070 -3.300 533 HH11 ARG 77 1HH1 ARG 77 -8.341 2.964 -2.469 534 HH12 ARG 77 2HH1 ARG 77 -9.639 3.094 -3.614 535 HH21 ARG 77 1HH2 ARG 77 -8.640 6.232 -4.828 536 HH22 ARG 77 2HH2 ARG 77 -9.795 4.943 -4.968 537 H SER 78 H SER 78 -1.758 7.013 -2.751 538 HA SER 78 HA SER 78 -2.134 8.463 -5.117 539 HB2 SER 78 1HB SER 78 -1.104 9.255 -2.924 540 HB3 SER 78 2HB SER 78 0.393 8.492 -3.454 541 HG SER 78 HG SER 78 0.299 10.718 -3.986 542 H ALA 79 H ALA 79 0.315 6.009 -4.293 543 HA ALA 79 HA ALA 79 1.771 6.376 -6.737 544 HB1 ALA 79 1HB ALA 79 1.869 4.076 -4.780 545 HB2 ALA 79 2HB ALA 79 2.854 5.536 -4.703 546 HB3 ALA 79 3HB ALA 79 3.046 4.413 -6.049 547 H LEU 80 H LEU 80 -0.461 3.858 -5.549 548 HA LEU 80 HA LEU 80 -0.274 2.169 -7.768 549 HB2 LEU 80 1HB LEU 80 -2.281 2.528 -5.586 550 HB3 LEU 80 2HB LEU 80 -2.725 1.535 -6.958 551 HG LEU 80 HG LEU 80 -1.877 0.195 -5.079 552 HD11 LEU 80 1HD1 LEU 80 -1.629 -0.655 -7.344 553 HD12 LEU 80 2HD1 LEU 80 -0.265 -1.150 -6.342 554 HD13 LEU 80 3HD1 LEU 80 -0.074 0.163 -7.503 555 HD21 LEU 80 1HD2 LEU 80 0.752 1.618 -5.532 556 HD22 LEU 80 2HD2 LEU 80 0.469 0.271 -4.430 557 HD23 LEU 80 3HD2 LEU 80 -0.307 1.826 -4.137 558 H VAL 81 H VAL 81 -2.436 4.921 -7.156 559 HA VAL 81 HA VAL 81 -3.769 4.585 -9.694 560 HB VAL 81 HB VAL 81 -4.843 6.698 -9.301 561 HG11 VAL 81 1HG1 VAL 81 -5.737 4.751 -8.124 562 HG12 VAL 81 2HG1 VAL 81 -5.989 6.225 -7.192 563 HG13 VAL 81 3HG1 VAL 81 -4.704 5.104 -6.737 564 HG21 VAL 81 1HG2 VAL 81 -2.989 7.051 -6.943 565 HG22 VAL 81 2HG2 VAL 81 -4.345 8.104 -7.348 566 HG23 VAL 81 3HG2 VAL 81 -2.965 7.983 -8.439 567 H GLY 82 H GLY 82 -0.862 6.117 -8.591 568 HA2 GLY 82 1HA GLY 82 -0.736 8.238 -10.474 569 HA3 GLY 82 2HA GLY 82 0.616 7.576 -9.565 570 H SER 83 H SER 83 0.554 4.955 -10.462 571 HA SER 83 HA SER 83 1.635 5.320 -13.157 572 HB2 SER 83 1HB SER 83 2.482 2.929 -12.707 573 HB3 SER 83 2HB SER 83 3.175 4.232 -11.743 574 HG SER 83 HG SER 83 2.644 2.609 -10.349 575 H GLY 84 H GLY 84 -1.272 4.618 -11.907 576 HA2 GLY 84 1HA GLY 84 -3.183 3.682 -12.740 577 HA3 GLY 84 2HA GLY 84 -2.385 3.696 -14.307 578 H LEU 85 H LEU 85 -1.232 1.940 -11.476 579 HA LEU 85 HA LEU 85 -1.118 -0.537 -12.880 580 HB2 LEU 85 1HB LEU 85 -0.975 0.027 -9.907 581 HB3 LEU 85 2HB LEU 85 -0.608 -1.519 -10.650 582 HG LEU 85 HG LEU 85 0.917 1.058 -11.078 583 HD11 LEU 85 1HD1 LEU 85 1.671 -1.466 -9.603 584 HD12 LEU 85 2HD1 LEU 85 1.305 0.099 -8.876 585 HD13 LEU 85 3HD1 LEU 85 2.731 -0.087 -9.895 586 HD21 LEU 85 1HD2 LEU 85 0.912 -0.310 -13.101 587 HD22 LEU 85 2HD2 LEU 85 1.447 -1.710 -12.172 588 HD23 LEU 85 3HD2 LEU 85 2.505 -0.310 -12.347 589 H VAL 86 H VAL 86 -3.347 0.936 -10.630 590 HA VAL 86 HA VAL 86 -5.470 -0.848 -11.533 591 HB VAL 86 HB VAL 86 -6.338 -1.081 -9.184 592 HG11 VAL 86 1HG1 VAL 86 -4.834 -2.908 -8.522 593 HG12 VAL 86 2HG1 VAL 86 -3.640 -2.345 -9.695 594 HG13 VAL 86 3HG1 VAL 86 -5.201 -2.956 -10.247 595 HG21 VAL 86 1HG2 VAL 86 -5.144 0.743 -8.124 596 HG22 VAL 86 2HG2 VAL 86 -3.598 -0.043 -8.441 597 HG23 VAL 86 3HG2 VAL 86 -4.744 -0.774 -7.317 598 H ASP 87 H ASP 87 -7.572 0.091 -11.234 599 HA ASP 87 HA ASP 87 -7.617 2.927 -11.477 600 HB2 ASP 87 1HB ASP 87 -9.288 1.636 -12.645 601 HB3 ASP 87 2HB ASP 87 -9.848 0.903 -11.145 602 H ASP 88 H ASP 88 -8.544 0.666 -8.937 603 HA ASP 88 HA ASP 88 -8.338 2.804 -6.952 604 HB2 ASP 88 1HB ASP 88 -10.777 2.487 -7.720 605 HB3 ASP 88 2HB ASP 88 -10.700 0.906 -6.953 606 H ILE 89 H ILE 89 -8.071 1.920 -4.748 607 HA ILE 89 HA ILE 89 -7.193 -0.894 -4.759 608 HB ILE 89 HB ILE 89 -5.166 -0.492 -3.800 609 HG12 ILE 89 1HG1 ILE 89 -6.226 2.065 -2.565 610 HG13 ILE 89 2HG1 ILE 89 -6.084 0.516 -1.744 611 HG21 ILE 89 1HG2 ILE 89 -4.062 1.484 -4.706 612 HG22 ILE 89 2HG2 ILE 89 -5.629 2.223 -5.036 613 HG23 ILE 89 3HG2 ILE 89 -5.143 0.765 -5.901 614 HD11 ILE 89 1HD1 ILE 89 -3.808 2.177 -2.801 615 HD12 ILE 89 2HD1 ILE 89 -3.656 0.608 -2.007 616 HD13 ILE 89 3HD1 ILE 89 -4.285 1.995 -1.113 617 H ARG 90 H ARG 90 -7.611 -2.047 -2.920 618 HA ARG 90 HA ARG 90 -9.197 -0.697 -0.849 619 HB2 ARG 90 1HB ARG 90 -10.686 -1.978 -2.253 620 HB3 ARG 90 2HB ARG 90 -9.661 -3.398 -2.126 621 HG2 ARG 90 1HG ARG 90 -10.435 -3.943 -0.044 622 HG3 ARG 90 2HG ARG 90 -10.753 -2.265 0.399 623 HD2 ARG 90 1HD ARG 90 -12.782 -3.769 0.033 624 HD3 ARG 90 2HD ARG 90 -12.776 -2.210 -0.791 625 HE ARG 90 HE ARG 90 -11.852 -4.569 -2.263 626 HH11 ARG 90 1HH1 ARG 90 -14.308 -2.132 -1.743 627 HH12 ARG 90 2HH1 ARG 90 -15.130 -2.443 -3.241 628 HH21 ARG 90 1HH2 ARG 90 -12.920 -4.968 -4.268 629 HH22 ARG 90 2HH2 ARG 90 -14.319 -4.036 -4.689 630 H ILE 91 H ILE 91 -7.908 -0.584 0.827 631 HA ILE 91 HA ILE 91 -6.128 -2.801 1.517 632 HB ILE 91 HB ILE 91 -6.391 -0.054 2.778 633 HG12 ILE 91 1HG1 ILE 91 -4.306 -1.136 0.861 634 HG13 ILE 91 2HG1 ILE 91 -5.529 0.072 0.482 635 HG21 ILE 91 1HG2 ILE 91 -5.556 -1.702 4.367 636 HG22 ILE 91 2HG2 ILE 91 -4.270 -0.588 3.904 637 HG23 ILE 91 3HG2 ILE 91 -4.317 -2.210 3.216 638 HD11 ILE 91 1HD1 ILE 91 -3.347 1.079 0.845 639 HD12 ILE 91 2HD1 ILE 91 -3.295 0.405 2.474 640 HD13 ILE 91 3HD1 ILE 91 -4.506 1.618 2.059 641 H ASN 92 H ASN 92 -6.690 -4.224 3.046 642 HA ASN 92 HA ASN 92 -8.885 -3.537 4.870 643 HB2 ASN 92 1HB ASN 92 -9.057 -5.952 5.325 644 HB3 ASN 92 2HB ASN 92 -9.250 -5.601 3.617 645 HD21 ASN 92 1HD2 ASN 92 -6.231 -7.938 4.958 646 HD22 ASN 92 2HD2 ASN 92 -7.278 -7.079 6.030 647 H TRP 93 H TRP 93 -8.257 -2.708 6.707 648 HA TRP 93 HA TRP 93 -5.558 -3.160 7.698 649 HB2 TRP 93 2HB TRP 93 -7.757 -1.457 8.903 650 HB3 TRP 93 1HB TRP 93 -6.045 -1.404 9.303 651 HD1 TRP 93 1HD TRP 93 -4.433 -0.088 7.624 652 HE1 TRP 93 1HE TRP 93 -4.920 1.620 5.758 653 HE3 TRP 93 3HE TRP 93 -9.454 -0.876 7.071 654 HZ2 TRP 93 2HZ TRP 93 -7.129 2.506 4.245 655 HZ3 TRP 93 3HZ TRP 93 -10.681 0.443 5.392 656 HH2 TRP 93 2HH TRP 93 -9.540 2.100 4.009 657 H VAL 94 H VAL 94 -5.296 -5.039 8.766 658 HA VAL 94 HA VAL 94 -7.477 -6.107 10.382 659 HB VAL 94 HB VAL 94 -4.769 -7.386 10.074 660 HG11 VAL 94 1HG1 VAL 94 -7.535 -8.519 10.482 661 HG12 VAL 94 2HG1 VAL 94 -6.262 -8.387 11.697 662 HG13 VAL 94 3HG1 VAL 94 -6.058 -9.467 10.317 663 HG21 VAL 94 1HG2 VAL 94 -5.462 -6.822 7.800 664 HG22 VAL 94 2HG2 VAL 94 -7.035 -7.569 8.076 665 HG23 VAL 94 3HG2 VAL 94 -5.578 -8.561 8.057 666 H TRP 95 H TRP 95 -7.582 -5.700 12.485 667 HA TRP 95 HA TRP 95 -5.109 -5.076 13.972 668 HB2 TRP 95 2HB TRP 95 -7.866 -4.158 14.799 669 HB3 TRP 95 1HB TRP 95 -6.307 -3.549 15.337 670 HD1 TRP 95 1HD TRP 95 -4.855 -2.320 13.158 671 HE1 TRP 95 1HE TRP 95 -5.814 -0.607 11.490 672 HE3 TRP 95 3HE TRP 95 -9.829 -3.358 13.694 673 HZ2 TRP 95 2HZ TRP 95 -8.344 0.196 10.532 674 HZ3 TRP 95 3HZ TRP 95 -11.458 -2.074 12.368 675 HH2 TRP 95 2HH TRP 95 -10.729 -0.332 10.818 676 H ASN 96 H ASN 96 -7.935 -6.988 13.689 677 HA ASN 96 HA ASN 96 -7.461 -8.828 15.714 678 HB2 ASN 96 1HB ASN 96 -8.944 -6.395 16.623 679 HB3 ASN 96 2HB ASN 96 -9.566 -7.948 17.161 680 HD21 ASN 96 1HD2 ASN 96 -6.956 -6.435 19.476 681 HD22 ASN 96 2HD2 ASN 96 -8.273 -5.709 18.625 682 HA PRO 97 HA PRO 97 -12.036 -9.220 14.107 683 HB2 PRO 97 2HB PRO 97 -12.240 -7.128 12.034 684 HB3 PRO 97 1HB PRO 97 -13.372 -7.538 13.328 685 HG2 PRO 97 2HG PRO 97 -11.930 -5.278 13.399 686 HG3 PRO 97 1HG PRO 97 -12.297 -6.190 14.876 687 HD2 PRO 97 2HD PRO 97 -9.767 -6.152 13.254 688 HD3 PRO 97 1HD PRO 97 -9.973 -6.083 15.018 689 HA PRO 98 HA PRO 98 -10.674 -11.413 10.423 690 HB2 PRO 98 2HB PRO 98 -13.519 -12.035 9.944 691 HB3 PRO 98 1HB PRO 98 -12.177 -13.130 10.289 692 HG2 PRO 98 2HG PRO 98 -14.118 -12.653 12.092 693 HG3 PRO 98 1HG PRO 98 -12.436 -12.944 12.580 694 HD2 PRO 98 2HD PRO 98 -13.916 -10.340 12.342 695 HD3 PRO 98 1HD PRO 98 -12.801 -10.889 13.613 696 H TRP 99 H TRP 99 -10.646 -11.054 8.219 697 HA TRP 99 HA TRP 99 -10.937 -8.478 7.339 698 HB2 TRP 99 2HB TRP 99 -11.139 -10.843 5.468 699 HB3 TRP 99 1HB TRP 99 -10.424 -9.267 5.151 700 HD1 TRP 99 1HD TRP 99 -8.010 -8.774 6.466 701 HE1 TRP 99 1HE TRP 99 -6.139 -10.421 7.072 702 HE3 TRP 99 3HE TRP 99 -10.643 -13.154 6.148 703 HZ2 TRP 99 2HZ TRP 99 -5.813 -13.206 7.385 704 HZ3 TRP 99 3HZ TRP 99 -9.470 -15.268 6.619 705 HH2 TRP 99 2HH TRP 99 -7.105 -15.289 7.224 706 H GLY 100 H GLY 100 -12.761 -7.317 7.265 707 HA2 GLY 100 1HA GLY 100 -14.918 -8.090 5.524 708 HA3 GLY 100 2HA GLY 100 -15.367 -8.163 7.223 709 HA PRO 101 HA PRO 101 -16.391 -3.856 7.072 710 HB2 PRO 101 2HB PRO 101 -15.722 -3.054 9.609 711 HB3 PRO 101 1HB PRO 101 -17.172 -3.993 9.235 712 HG2 PRO 101 2HG PRO 101 -14.518 -4.940 10.270 713 HG3 PRO 101 1HG PRO 101 -16.152 -5.406 10.788 714 HD2 PRO 101 2HD PRO 101 -14.687 -6.965 9.147 715 HD3 PRO 101 1HD PRO 101 -16.450 -6.834 8.977 716 H ASP 102 H ASP 102 -13.254 -4.851 8.187 717 HA ASP 102 HA ASP 102 -11.911 -2.365 8.070 718 HB2 ASP 102 1HB ASP 102 -9.846 -3.884 7.944 719 HB3 ASP 102 2HB ASP 102 -10.886 -4.067 9.353 720 H LYS 103 H LYS 103 -13.218 -4.185 5.587 721 HA LYS 103 HA LYS 103 -11.216 -3.460 3.600 722 HB2 LYS 103 1HB LYS 103 -13.888 -4.856 3.311 723 HB3 LYS 103 2HB LYS 103 -12.747 -4.591 1.997 724 HG2 LYS 103 1HG LYS 103 -11.090 -5.983 3.166 725 HG3 LYS 103 2HG LYS 103 -12.257 -6.263 4.464 726 HD2 LYS 103 1HD LYS 103 -13.784 -7.331 2.870 727 HD3 LYS 103 2HD LYS 103 -12.637 -7.035 1.562 728 HE2 LYS 103 1HE LYS 103 -10.998 -8.473 2.657 729 HE3 LYS 103 2HE LYS 103 -12.113 -8.742 3.998 730 HZ1 LYS 103 1HZ LYS 103 -12.560 -9.544 1.174 731 HZ2 LYS 103 2HZ LYS 103 -13.657 -9.778 2.441 732 HZ3 LYS 103 3HZ LYS 103 -12.171 -10.582 2.452 733 H ILE 104 H ILE 104 -13.748 -1.897 5.113 734 HA ILE 104 HA ILE 104 -14.869 -0.561 2.817 735 HB ILE 104 HB ILE 104 -15.144 0.118 5.759 736 HG12 ILE 104 1HG1 ILE 104 -16.037 -2.110 5.222 737 HG13 ILE 104 2HG1 ILE 104 -17.341 -0.989 5.594 738 HG21 ILE 104 1HG2 ILE 104 -16.717 1.104 3.371 739 HG22 ILE 104 2HG2 ILE 104 -15.621 2.057 4.372 740 HG23 ILE 104 3HG2 ILE 104 -17.117 1.425 5.059 741 HD11 ILE 104 1HD1 ILE 104 -17.932 -2.403 3.725 742 HD12 ILE 104 2HD1 ILE 104 -16.493 -1.883 2.846 743 HD13 ILE 104 3HD1 ILE 104 -17.780 -0.727 3.195 744 H THR 105 H THR 105 -13.283 0.499 1.721 745 HA THR 105 HA THR 105 -11.395 2.235 3.002 746 HB THR 105 HB THR 105 -10.825 2.876 0.618 747 HG1 THR 105 1HG THR 105 -12.052 2.164 -0.949 748 HG21 THR 105 1HG2 THR 105 -9.648 1.078 1.850 749 HG22 THR 105 2HG2 THR 105 -9.743 0.757 0.122 750 HG23 THR 105 3HG2 THR 105 -10.818 -0.088 1.232 751 H GLU 106 H GLU 106 -11.181 4.465 1.618 752 HA GLU 106 HA GLU 106 -12.878 6.189 2.926 753 HB2 GLU 106 1HB GLU 106 -11.954 7.966 1.584 754 HB3 GLU 106 2HB GLU 106 -10.680 6.814 1.949 755 HG2 GLU 106 1HG GLU 106 -12.182 6.978 -0.665 756 HG3 GLU 106 2HG GLU 106 -10.590 7.664 -0.361 757 H ASP 107 H ASP 107 -13.233 4.850 -0.335 758 HA ASP 107 HA ASP 107 -15.290 6.492 -1.274 759 HB2 ASP 107 1HB ASP 107 -14.214 5.011 -2.819 760 HB3 ASP 107 2HB ASP 107 -14.648 3.595 -1.867 761 H GLY 108 H GLY 108 -15.440 3.565 0.700 762 HA2 GLY 108 1HA GLY 108 -18.223 3.176 0.652 763 HA3 GLY 108 2HA GLY 108 -17.140 2.630 1.925 764 H ARG 109 H ARG 109 -16.191 4.998 2.907 765 HA ARG 109 HA ARG 109 -18.389 5.855 4.538 766 HB2 ARG 109 1HB ARG 109 -15.606 7.043 4.382 767 HB3 ARG 109 2HB ARG 109 -16.759 7.221 5.699 768 HG2 ARG 109 1HG ARG 109 -16.596 4.772 6.106 769 HG3 ARG 109 2HG ARG 109 -15.342 4.691 4.866 770 HD2 ARG 109 1HD ARG 109 -14.292 4.802 7.033 771 HD3 ARG 109 2HD ARG 109 -14.003 6.324 6.187 772 HE ARG 109 HE ARG 109 -16.097 5.995 8.247 773 HH11 ARG 109 1HH1 ARG 109 -13.458 7.831 6.828 774 HH12 ARG 109 2HH1 ARG 109 -13.659 9.173 7.915 775 HH21 ARG 109 1HH2 ARG 109 -16.336 7.751 9.673 776 HH22 ARG 109 2HH2 ARG 109 -15.275 9.121 9.535 777 H GLU 110 H GLU 110 -16.611 7.141 1.833 778 HA GLU 110 HA GLU 110 -17.143 9.847 1.999 779 HB2 GLU 110 1HB GLU 110 -15.518 8.876 0.461 780 HB3 GLU 110 2HB GLU 110 -16.813 8.130 -0.464 781 HG2 GLU 110 1HG GLU 110 -17.637 10.317 -1.123 782 HG3 GLU 110 2HG GLU 110 -16.394 11.099 -0.147 783 H GLN 111 H GLN 111 -19.145 7.292 0.647 784 HA GLN 111 HA GLN 111 -21.147 9.319 -0.084 785 HB2 GLN 111 1HB GLN 111 -20.828 6.511 -1.164 786 HB3 GLN 111 2HB GLN 111 -22.005 7.706 -1.705 787 HG2 GLN 111 1HG GLN 111 -20.036 9.200 -2.269 788 HG3 GLN 111 2HG GLN 111 -19.011 7.795 -2.001 789 HE21 GLN 111 1HE2 GLN 111 -19.769 6.247 -5.031 790 HE22 GLN 111 2HE2 GLN 111 -19.021 6.122 -3.478 791 H LEU 112 H LEU 112 -21.665 9.341 2.179 792 HA LEU 112 HA LEU 112 -23.881 7.501 2.709 793 HB2 LEU 112 1HB LEU 112 -21.552 7.085 4.012 794 HB3 LEU 112 2HB LEU 112 -22.229 8.327 5.044 795 HG LEU 112 HG LEU 112 -23.723 5.784 4.393 796 HD11 LEU 112 1HD1 LEU 112 -22.966 4.923 6.553 797 HD12 LEU 112 2HD1 LEU 112 -21.928 6.335 6.762 798 HD13 LEU 112 3HD1 LEU 112 -21.609 5.187 5.460 799 HD21 LEU 112 1HD2 LEU 112 -25.074 7.654 5.240 800 HD22 LEU 112 2HD2 LEU 112 -24.016 7.780 6.644 801 HD23 LEU 112 3HD2 LEU 112 -24.991 6.331 6.404 802 H ARG 113 H ARG 113 -25.532 8.474 3.925 803 HA ARG 113 HA ARG 113 -25.887 11.200 3.271 804 HB2 ARG 113 1HB ARG 113 -28.045 11.036 4.435 805 HB3 ARG 113 2HB ARG 113 -27.785 9.657 3.378 806 HG2 ARG 113 1HG ARG 113 -27.195 8.266 5.285 807 HG3 ARG 113 2HG ARG 113 -27.357 9.651 6.368 808 HD2 ARG 113 1HD ARG 113 -29.736 9.816 5.805 809 HD3 ARG 113 2HD ARG 113 -29.575 8.445 4.706 810 HE ARG 113 HE ARG 113 -28.868 7.175 6.795 811 HH11 ARG 113 1HH1 ARG 113 -31.071 9.897 6.905 812 HH12 ARG 113 2HH1 ARG 113 -31.932 9.305 8.292 813 HH21 ARG 113 1HH2 ARG 113 -30.020 6.388 8.618 814 HH22 ARG 113 2HH2 ARG 113 -31.346 7.317 9.254 815 H ALA 114 H ALA 114 -25.015 9.585 6.260 816 HA ALA 114 HA ALA 114 -25.354 11.706 8.051 817 HB1 ALA 114 1HB ALA 114 -23.301 9.487 8.138 818 HB2 ALA 114 2HB ALA 114 -24.943 9.406 8.778 819 HB3 ALA 114 3HB ALA 114 -23.771 10.511 9.496 820 H LEU 115 H LEU 115 -22.858 11.012 5.729 821 HA LEU 115 HA LEU 115 -21.166 13.186 6.727 822 HB2 LEU 115 1HB LEU 115 -20.662 11.027 4.675 823 HB3 LEU 115 2HB LEU 115 -19.508 12.285 5.088 824 HG LEU 115 HG LEU 115 -20.522 10.099 6.919 825 HD11 LEU 115 1HD1 LEU 115 -18.857 9.346 5.308 826 HD12 LEU 115 2HD1 LEU 115 -18.191 9.369 6.939 827 HD13 LEU 115 3HD1 LEU 115 -17.776 10.648 5.798 828 HD21 LEU 115 1HD2 LEU 115 -20.243 12.176 8.176 829 HD22 LEU 115 2HD2 LEU 115 -18.610 12.357 7.533 830 HD23 LEU 115 3HD2 LEU 115 -18.995 11.007 8.602 831 H GLY 116 H GLY 116 -23.777 13.340 5.141 832 HA2 GLY 116 1HA GLY 116 -23.095 14.557 2.641 833 HA3 GLY 116 2HA GLY 116 -24.653 14.639 3.454 834 H PHE 117 H PHE 117 -21.347 15.880 3.743 835 HA PHE 117 HA PHE 117 -22.433 18.496 4.538 836 HB2 PHE 117 2HB PHE 117 -21.550 17.242 6.509 837 HB3 PHE 117 1HB PHE 117 -19.981 17.160 5.721 838 HD1 PHE 117 1HD PHE 117 -22.515 19.809 6.491 839 HD2 PHE 117 2HD PHE 117 -18.421 18.633 6.551 840 HE1 PHE 117 1HE PHE 117 -21.915 21.959 7.523 841 HE2 PHE 117 2HE PHE 117 -17.819 20.785 7.579 842 HZ PHE 117 HZ PHE 117 -19.566 22.452 8.067 843 H THR 118 H THR 118 -21.193 20.286 3.871 844 HA THR 118 HA THR 118 -20.187 19.997 1.253 845 HB THR 118 HB THR 118 -19.910 22.433 3.030 846 HG1 THR 118 1HG THR 118 -22.131 21.391 1.584 847 HG21 THR 118 1HG2 THR 118 -20.102 23.667 0.901 848 HG22 THR 118 2HG2 THR 118 -20.149 22.139 0.027 849 HG23 THR 118 3HG2 THR 118 -18.697 22.603 0.912 850 H VAL 119 H VAL 119 -18.586 19.700 4.256 851 HA VAL 119 HA VAL 119 -15.964 20.188 2.994 852 HB VAL 119 HB VAL 119 -16.637 20.301 5.949 853 HG11 VAL 119 1HG1 VAL 119 -14.342 19.553 5.513 854 HG12 VAL 119 2HG1 VAL 119 -14.371 21.156 6.246 855 HG13 VAL 119 3HG1 VAL 119 -14.065 20.984 4.517 856 HG21 VAL 119 1HG2 VAL 119 -17.608 22.197 4.771 857 HG22 VAL 119 2HG2 VAL 119 -16.060 22.541 3.998 858 HG23 VAL 119 3HG2 VAL 119 -16.235 22.730 5.743 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 16.966 -0.128 -1.761 2 H2 GLY 1 2H GLY 1 16.794 0.175 -0.111 3 H3 GLY 1 3H GLY 1 16.785 1.461 -1.209 4 HA2 GLY 1 1HA GLY 1 14.552 1.028 -0.488 5 HA3 GLY 1 2HA GLY 1 14.737 0.631 -2.189 6 HA PRO 2 HA PRO 2 14.089 -3.374 0.552 7 HB2 PRO 2 2HB PRO 2 11.683 -2.429 1.974 8 HB3 PRO 2 1HB PRO 2 13.096 -3.282 2.605 9 HG2 PRO 2 2HG PRO 2 12.635 -0.685 3.163 10 HG3 PRO 2 1HG PRO 2 14.278 -1.329 2.970 11 HD2 PRO 2 2HD PRO 2 12.609 0.227 1.013 12 HD3 PRO 2 1HD PRO 2 14.337 0.388 1.397 13 H GLY 3 H GLY 3 12.201 -4.901 0.373 14 HA2 GLY 3 1HA GLY 3 9.986 -4.090 -1.300 15 HA3 GLY 3 2HA GLY 3 11.181 -5.084 -2.123 16 H SER 4 H SER 4 9.216 -6.476 -2.332 17 HA SER 4 HA SER 4 9.310 -8.574 -0.378 18 HB2 SER 4 1HB SER 4 6.834 -8.489 0.095 19 HB3 SER 4 2HB SER 4 7.742 -7.151 0.797 20 HG SER 4 HG SER 4 6.945 -5.798 -0.727 21 H MET 5 H MET 5 7.053 -9.983 -1.056 22 HA MET 5 HA MET 5 7.594 -10.693 -3.838 23 HB2 MET 5 1HB MET 5 5.952 -12.053 -1.681 24 HB3 MET 5 2HB MET 5 6.148 -12.680 -3.312 25 HG2 MET 5 1HG MET 5 8.531 -12.938 -2.965 26 HG3 MET 5 2HG MET 5 8.401 -12.212 -1.364 27 HE1 MET 5 1HE MET 5 5.769 -13.478 -0.183 28 HE2 MET 5 2HE MET 5 7.280 -13.397 0.723 29 HE3 MET 5 3HE MET 5 6.395 -14.918 0.622 30 H SER 6 H SER 6 5.983 -8.303 -2.851 31 HA SER 6 HA SER 6 3.411 -8.874 -4.158 32 HB2 SER 6 1HB SER 6 4.133 -6.635 -2.239 33 HB3 SER 6 2HB SER 6 2.525 -6.982 -2.879 34 HG SER 6 HG SER 6 2.422 -8.098 -1.077 35 H GLU 7 H GLU 7 2.478 -6.633 -5.008 36 HA GLU 7 HA GLU 7 2.452 -5.289 -6.815 37 HB2 GLU 7 1HB GLU 7 5.128 -4.401 -5.719 38 HB3 GLU 7 2HB GLU 7 4.078 -3.472 -6.783 39 HG2 GLU 7 1HG GLU 7 3.595 -4.238 -3.910 40 HG3 GLU 7 2HG GLU 7 3.761 -2.620 -4.595 41 H THR 8 H THR 8 2.930 -7.604 -7.772 42 HA THR 8 HA THR 8 5.324 -7.578 -9.448 43 HB THR 8 HB THR 8 4.393 -9.862 -10.167 44 HG1 THR 8 1HG THR 8 2.843 -10.738 -8.688 45 HG21 THR 8 1HG2 THR 8 5.112 -9.408 -7.259 46 HG22 THR 8 2HG2 THR 8 6.243 -9.668 -8.587 47 HG23 THR 8 3HG2 THR 8 5.158 -10.965 -8.090 48 H SER 9 H SER 9 2.599 -6.002 -9.657 49 HA SER 9 HA SER 9 1.539 -6.772 -12.209 50 HB2 SER 9 1HB SER 9 1.109 -4.190 -10.676 51 HB3 SER 9 2HB SER 9 0.082 -4.845 -11.951 52 HG SER 9 HG SER 9 -0.050 -5.305 -9.344 53 H ALA 10 H ALA 10 1.565 -5.437 -14.121 54 HA ALA 10 HA ALA 10 2.437 -4.079 -15.719 55 HB1 ALA 10 1HB ALA 10 2.331 -2.276 -14.061 56 HB2 ALA 10 2HB ALA 10 3.732 -2.104 -15.117 57 HB3 ALA 10 3HB ALA 10 3.932 -2.719 -13.475 58 HA PRO 11 HA PRO 11 6.157 -6.081 -16.973 59 HB2 PRO 11 2HB PRO 11 7.216 -4.203 -18.689 60 HB3 PRO 11 1HB PRO 11 5.901 -5.303 -19.105 61 HG2 PRO 11 2HG PRO 11 5.778 -2.442 -18.234 62 HG3 PRO 11 1HG PRO 11 4.846 -3.275 -19.495 63 HD2 PRO 11 2HD PRO 11 3.802 -2.748 -17.066 64 HD3 PRO 11 1HD PRO 11 3.384 -4.221 -17.966 65 H ALA 12 H ALA 12 8.514 -5.895 -16.977 66 HA ALA 12 HA ALA 12 9.286 -5.361 -14.374 67 HB1 ALA 12 1HB ALA 12 11.086 -5.772 -16.760 68 HB2 ALA 12 2HB ALA 12 10.332 -7.046 -15.801 69 HB3 ALA 12 3HB ALA 12 11.529 -5.983 -15.065 70 H GLU 13 H GLU 13 10.153 -3.480 -17.305 71 HA GLU 13 HA GLU 13 12.128 -1.937 -16.083 72 HB2 GLU 13 1HB GLU 13 10.369 -1.015 -18.367 73 HB3 GLU 13 2HB GLU 13 11.976 -0.427 -17.968 74 HG2 GLU 13 1HG GLU 13 11.201 -3.094 -19.113 75 HG3 GLU 13 2HG GLU 13 12.220 -1.849 -19.830 76 H GLU 14 H GLU 14 8.717 -1.075 -16.655 77 HA GLU 14 HA GLU 14 8.953 1.412 -15.269 78 HB2 GLU 14 1HB GLU 14 6.468 1.505 -15.499 79 HB3 GLU 14 2HB GLU 14 7.322 1.254 -17.013 80 HG2 GLU 14 1HG GLU 14 6.824 -1.197 -16.784 81 HG3 GLU 14 2HG GLU 14 5.789 -0.785 -15.416 82 H LEU 15 H LEU 15 7.693 -1.802 -14.430 83 HA LEU 15 HA LEU 15 6.514 -1.188 -11.988 84 HB2 LEU 15 1HB LEU 15 6.339 -3.377 -13.125 85 HB3 LEU 15 2HB LEU 15 8.012 -3.716 -12.737 86 HG LEU 15 HG LEU 15 6.178 -4.830 -11.311 87 HD11 LEU 15 1HD1 LEU 15 8.372 -3.316 -9.897 88 HD12 LEU 15 2HD1 LEU 15 8.541 -4.880 -10.692 89 HD13 LEU 15 3HD1 LEU 15 7.507 -4.722 -9.273 90 HD21 LEU 15 1HD2 LEU 15 4.793 -2.857 -10.942 91 HD22 LEU 15 2HD2 LEU 15 6.114 -2.076 -10.070 92 HD23 LEU 15 3HD2 LEU 15 5.356 -3.526 -9.412 93 H LEU 16 H LEU 16 9.894 -1.870 -12.747 94 HA LEU 16 HA LEU 16 10.873 -2.124 -10.144 95 HB2 LEU 16 1HB LEU 16 12.134 -2.718 -12.179 96 HB3 LEU 16 2HB LEU 16 12.292 -1.018 -12.577 97 HG LEU 16 HG LEU 16 13.628 -0.678 -10.514 98 HD11 LEU 16 1HD1 LEU 16 14.464 -2.605 -9.273 99 HD12 LEU 16 2HD1 LEU 16 13.451 -3.678 -10.239 100 HD13 LEU 16 3HD1 LEU 16 12.709 -2.490 -9.169 101 HD21 LEU 16 1HD2 LEU 16 15.656 -1.770 -11.309 102 HD22 LEU 16 2HD2 LEU 16 14.734 -1.112 -12.660 103 HD23 LEU 16 3HD2 LEU 16 14.697 -2.844 -12.329 104 H ALA 17 H ALA 17 10.901 0.758 -12.236 105 HA ALA 17 HA ALA 17 11.994 2.511 -10.325 106 HB1 ALA 17 1HB ALA 17 11.281 4.303 -11.820 107 HB2 ALA 17 2HB ALA 17 10.244 3.176 -12.698 108 HB3 ALA 17 3HB ALA 17 11.995 2.975 -12.734 109 H ASP 18 H ASP 18 8.615 2.024 -11.353 110 HA ASP 18 HA ASP 18 7.499 3.969 -9.662 111 HB2 ASP 18 1HB ASP 18 6.285 1.524 -10.963 112 HB3 ASP 18 2HB ASP 18 5.332 2.636 -9.988 113 H VAL 19 H VAL 19 8.049 0.496 -9.125 114 HA VAL 19 HA VAL 19 6.653 0.473 -6.645 115 HB VAL 19 HB VAL 19 7.170 -1.591 -8.072 116 HG11 VAL 19 1HG1 VAL 19 9.595 -1.237 -8.302 117 HG12 VAL 19 2HG1 VAL 19 9.219 -2.810 -7.596 118 HG13 VAL 19 3HG1 VAL 19 9.791 -1.494 -6.566 119 HG21 VAL 19 1HG2 VAL 19 6.118 -1.721 -5.874 120 HG22 VAL 19 2HG2 VAL 19 7.701 -1.705 -5.097 121 HG23 VAL 19 3HG2 VAL 19 7.231 -3.070 -6.114 122 H GLU 20 H GLU 20 10.081 0.859 -7.529 123 HA GLU 20 HA GLU 20 11.103 0.788 -4.905 124 HB2 GLU 20 1HB GLU 20 12.428 0.700 -7.065 125 HB3 GLU 20 2HB GLU 20 12.219 2.439 -7.187 126 HG2 GLU 20 1HG GLU 20 13.416 1.276 -4.706 127 HG3 GLU 20 2HG GLU 20 14.395 1.406 -6.161 128 H GLU 21 H GLU 21 9.981 3.495 -6.909 129 HA GLU 21 HA GLU 21 10.394 5.529 -5.011 130 HB2 GLU 21 1HB GLU 21 8.404 5.326 -7.282 131 HB3 GLU 21 2HB GLU 21 8.666 6.790 -6.340 132 HG2 GLU 21 1HG GLU 21 11.015 6.819 -7.044 133 HG3 GLU 21 2HG GLU 21 10.740 5.368 -8.007 134 H ALA 22 H ALA 22 7.454 3.638 -5.739 135 HA ALA 22 HA ALA 22 5.754 4.786 -3.853 136 HB1 ALA 22 1HB ALA 22 5.792 1.899 -4.762 137 HB2 ALA 22 2HB ALA 22 4.991 3.230 -5.596 138 HB3 ALA 22 3HB ALA 22 4.436 2.729 -3.998 139 H MET 23 H MET 23 7.989 2.065 -3.521 140 HA MET 23 HA MET 23 7.434 1.356 -0.882 141 HB2 MET 23 1HB MET 23 9.984 1.134 -2.494 142 HB3 MET 23 2HB MET 23 9.815 0.457 -0.880 143 HG2 MET 23 1HG MET 23 8.091 -0.273 -3.240 144 HG3 MET 23 2HG MET 23 9.492 -1.191 -2.696 145 HE1 MET 23 1HE MET 23 6.523 -2.394 -3.095 146 HE2 MET 23 2HE MET 23 6.415 -3.433 -1.673 147 HE3 MET 23 3HE MET 23 7.914 -3.363 -2.598 148 H ARG 24 H ARG 24 9.231 4.030 -2.195 149 HA ARG 24 HA ARG 24 10.667 4.638 0.208 150 HB2 ARG 24 1HB ARG 24 11.582 5.295 -1.934 151 HB3 ARG 24 2HB ARG 24 10.154 6.243 -2.310 152 HG2 ARG 24 1HG ARG 24 11.714 6.962 0.125 153 HG3 ARG 24 2HG ARG 24 12.393 7.357 -1.453 154 HD2 ARG 24 1HD ARG 24 10.573 8.764 -1.999 155 HD3 ARG 24 2HD ARG 24 9.576 8.118 -0.695 156 HE ARG 24 HE ARG 24 12.028 9.567 0.004 157 HH11 ARG 24 1HH1 ARG 24 8.539 9.579 -0.273 158 HH12 ARG 24 2HH1 ARG 24 8.315 10.816 0.925 159 HH21 ARG 24 1HH2 ARG 24 11.741 11.194 1.593 160 HH22 ARG 24 2HH2 ARG 24 10.141 11.726 2.003 161 H ASP 25 H ASP 25 7.482 5.323 -0.973 162 HA ASP 25 HA ASP 25 7.162 7.495 0.986 163 HB2 ASP 25 1HB ASP 25 5.888 6.878 -1.609 164 HB3 ASP 25 2HB ASP 25 4.794 7.485 -0.369 165 H VAL 26 H VAL 26 6.227 4.214 0.396 166 HA VAL 26 HA VAL 26 4.161 4.298 2.453 167 HB VAL 26 HB VAL 26 3.877 1.913 2.089 168 HG11 VAL 26 1HG1 VAL 26 4.113 3.434 -0.511 169 HG12 VAL 26 2HG1 VAL 26 2.718 3.403 0.570 170 HG13 VAL 26 3HG1 VAL 26 3.207 1.936 -0.280 171 HG21 VAL 26 1HG2 VAL 26 6.257 2.100 0.234 172 HG22 VAL 26 2HG2 VAL 26 5.216 0.689 0.419 173 HG23 VAL 26 3HG2 VAL 26 6.196 1.246 1.776 174 H VAL 27 H VAL 27 7.530 3.843 2.243 175 HA VAL 27 HA VAL 27 7.763 2.438 4.787 176 HB VAL 27 HB VAL 27 9.332 2.093 2.768 177 HG11 VAL 27 1HG1 VAL 27 11.227 3.614 2.570 178 HG12 VAL 27 2HG1 VAL 27 10.524 4.670 3.793 179 HG13 VAL 27 3HG1 VAL 27 9.708 4.448 2.244 180 HG21 VAL 27 1HG2 VAL 27 11.307 1.740 4.172 181 HG22 VAL 27 2HG2 VAL 27 9.837 1.169 4.959 182 HG23 VAL 27 3HG2 VAL 27 10.569 2.698 5.455 183 H ASP 28 H ASP 28 9.241 3.438 6.479 184 HA ASP 28 HA ASP 28 8.940 6.369 6.577 185 HB2 ASP 28 1HB ASP 28 8.012 5.185 8.536 186 HB3 ASP 28 2HB ASP 28 9.576 4.428 8.825 187 HA PRO 29 HA PRO 29 13.382 5.842 5.703 188 HB2 PRO 29 2HB PRO 29 13.645 7.873 3.957 189 HB3 PRO 29 1HB PRO 29 12.920 6.332 3.486 190 HG2 PRO 29 2HG PRO 29 11.603 8.936 4.090 191 HG3 PRO 29 1HG PRO 29 11.159 7.698 2.899 192 HD2 PRO 29 2HD PRO 29 9.988 8.048 5.429 193 HD3 PRO 29 1HD PRO 29 9.833 6.614 4.396 194 H GLU 30 H GLU 30 11.548 8.155 7.263 195 HA GLU 30 HA GLU 30 13.471 10.194 7.698 196 HB2 GLU 30 1HB GLU 30 11.024 9.453 9.323 197 HB3 GLU 30 2HB GLU 30 11.933 10.951 9.475 198 HG2 GLU 30 1HG GLU 30 10.340 10.025 7.088 199 HG3 GLU 30 2HG GLU 30 9.964 11.365 8.171 200 H LEU 31 H LEU 31 12.230 7.665 9.907 201 HA LEU 31 HA LEU 31 14.759 7.820 11.404 202 HB2 LEU 31 1HB LEU 31 12.068 6.638 12.088 203 HB3 LEU 31 2HB LEU 31 13.505 6.294 13.032 204 HG LEU 31 HG LEU 31 13.728 8.758 13.473 205 HD11 LEU 31 1HD1 LEU 31 12.456 9.623 11.589 206 HD12 LEU 31 2HD1 LEU 31 11.774 10.191 13.111 207 HD13 LEU 31 3HD1 LEU 31 10.984 8.890 12.223 208 HD21 LEU 31 1HD2 LEU 31 12.752 7.251 15.120 209 HD22 LEU 31 2HD2 LEU 31 11.164 7.445 14.380 210 HD23 LEU 31 3HD2 LEU 31 11.948 8.819 15.158 211 H GLY 32 H GLY 32 13.003 5.865 9.192 212 HA2 GLY 32 1HA GLY 32 14.114 4.285 7.829 213 HA3 GLY 32 2HA GLY 32 15.309 4.053 9.093 214 H ILE 33 H ILE 33 11.742 3.838 9.119 215 HA ILE 33 HA ILE 33 12.023 1.029 10.020 216 HB ILE 33 HB ILE 33 9.662 2.877 10.467 217 HG12 ILE 33 1HG1 ILE 33 10.281 2.479 12.934 218 HG13 ILE 33 2HG1 ILE 33 11.835 1.909 12.337 219 HG21 ILE 33 1HG2 ILE 33 8.943 0.578 10.167 220 HG22 ILE 33 2HG2 ILE 33 8.750 1.059 11.852 221 HG23 ILE 33 3HG2 ILE 33 10.104 0.033 11.381 222 HD11 ILE 33 1HD1 ILE 33 10.673 4.654 11.925 223 HD12 ILE 33 2HD1 ILE 33 12.231 4.095 11.316 224 HD13 ILE 33 3HD1 ILE 33 11.956 4.216 13.053 225 H ASN 34 H ASN 34 10.873 -0.545 8.948 226 HA ASN 34 HA ASN 34 9.444 0.333 6.533 227 HB2 ASN 34 1HB ASN 34 10.381 -1.496 5.251 228 HB3 ASN 34 2HB ASN 34 11.685 -0.541 5.938 229 HD21 ASN 34 1HD2 ASN 34 13.002 -3.160 7.854 230 HD22 ASN 34 2HD2 ASN 34 12.987 -1.454 7.562 231 H VAL 35 H VAL 35 7.403 -0.139 6.699 232 HA VAL 35 HA VAL 35 6.244 -1.825 8.603 233 HB VAL 35 HB VAL 35 5.040 -0.938 5.964 234 HG11 VAL 35 1HG1 VAL 35 3.752 -2.722 7.038 235 HG12 VAL 35 2HG1 VAL 35 2.878 -1.191 7.090 236 HG13 VAL 35 3HG1 VAL 35 3.694 -1.787 8.534 237 HG21 VAL 35 1HG2 VAL 35 4.980 0.434 8.660 238 HG22 VAL 35 2HG2 VAL 35 4.135 0.971 7.207 239 HG23 VAL 35 3HG2 VAL 35 5.899 0.966 7.252 240 H VAL 36 H VAL 36 7.452 -2.482 5.408 241 HA VAL 36 HA VAL 36 6.136 -4.879 4.836 242 HB VAL 36 HB VAL 36 7.987 -5.402 3.303 243 HG11 VAL 36 1HG1 VAL 36 7.806 -3.424 1.872 244 HG12 VAL 36 2HG1 VAL 36 7.175 -2.495 3.232 245 HG13 VAL 36 3HG1 VAL 36 6.248 -3.848 2.585 246 HG21 VAL 36 1HG2 VAL 36 9.910 -3.891 3.098 247 HG22 VAL 36 2HG2 VAL 36 9.867 -4.673 4.678 248 HG23 VAL 36 3HG2 VAL 36 9.356 -2.992 4.511 249 H ASP 37 H ASP 37 8.691 -4.192 7.083 250 HA ASP 37 HA ASP 37 9.861 -6.717 7.387 251 HB2 ASP 37 1HB ASP 37 10.728 -4.625 8.413 252 HB3 ASP 37 2HB ASP 37 9.379 -4.639 9.543 253 H LEU 38 H LEU 38 6.772 -5.515 8.427 254 HA LEU 38 HA LEU 38 6.230 -7.489 10.409 255 HB2 LEU 38 1HB LEU 38 4.466 -5.643 8.801 256 HB3 LEU 38 2HB LEU 38 3.782 -6.831 9.891 257 HG LEU 38 HG LEU 38 3.850 -4.672 10.973 258 HD11 LEU 38 1HD1 LEU 38 4.196 -6.634 12.375 259 HD12 LEU 38 2HD1 LEU 38 5.076 -5.241 12.999 260 HD13 LEU 38 3HD1 LEU 38 5.941 -6.511 12.134 261 HD21 LEU 38 1HD2 LEU 38 5.963 -3.524 11.462 262 HD22 LEU 38 2HD2 LEU 38 5.666 -3.632 9.728 263 HD23 LEU 38 3HD2 LEU 38 6.834 -4.713 10.491 264 H GLY 39 H GLY 39 6.394 -7.575 7.033 265 HA2 GLY 39 1HA GLY 39 6.133 -9.258 5.516 266 HA3 GLY 39 2HA GLY 39 6.101 -10.352 6.888 267 H LEU 40 H LEU 40 3.691 -7.873 6.726 268 HA LEU 40 HA LEU 40 1.654 -9.907 6.195 269 HB2 LEU 40 1HB LEU 40 1.388 -8.458 8.177 270 HB3 LEU 40 2HB LEU 40 1.362 -7.045 7.137 271 HG LEU 40 HG LEU 40 -0.746 -7.761 6.140 272 HD11 LEU 40 1HD1 LEU 40 -0.547 -10.162 7.961 273 HD12 LEU 40 2HD1 LEU 40 -0.430 -10.170 6.200 274 HD13 LEU 40 3HD1 LEU 40 -1.949 -9.728 6.979 275 HD21 LEU 40 1HD2 LEU 40 -0.848 -6.420 8.178 276 HD22 LEU 40 2HD2 LEU 40 -0.841 -7.887 9.156 277 HD23 LEU 40 3HD2 LEU 40 -2.203 -7.544 8.089 278 H VAL 41 H VAL 41 3.329 -7.395 4.646 279 HA VAL 41 HA VAL 41 1.456 -6.419 2.808 280 HB VAL 41 HB VAL 41 4.432 -6.803 2.369 281 HG11 VAL 41 1HG1 VAL 41 2.492 -4.894 1.048 282 HG12 VAL 41 2HG1 VAL 41 3.231 -6.307 0.292 283 HG13 VAL 41 3HG1 VAL 41 4.236 -4.942 0.783 284 HG21 VAL 41 1HG2 VAL 41 3.975 -5.569 4.429 285 HG22 VAL 41 2HG2 VAL 41 2.945 -4.446 3.542 286 HG23 VAL 41 3HG2 VAL 41 4.674 -4.511 3.202 287 H TYR 42 H TYR 42 2.900 -9.492 3.084 288 HA TYR 42 HA TYR 42 2.848 -10.502 0.490 289 HB2 TYR 42 2HB TYR 42 3.822 -11.825 2.234 290 HB3 TYR 42 1HB TYR 42 2.337 -11.807 3.177 291 HD1 TYR 42 1HD TYR 42 0.773 -13.543 2.957 292 HD2 TYR 42 2HD TYR 42 3.796 -13.088 -0.010 293 HE1 TYR 42 1HE TYR 42 0.082 -15.668 1.937 294 HE2 TYR 42 2HE TYR 42 3.111 -15.214 -1.037 295 HH TYR 42 HH TYR 42 0.199 -16.769 -0.286 296 H GLY 43 H GLY 43 0.266 -9.632 2.618 297 HA2 GLY 43 1HA GLY 43 -1.818 -11.140 1.378 298 HA3 GLY 43 2HA GLY 43 -2.016 -9.780 2.473 299 H LEU 44 H LEU 44 -0.912 -10.440 -0.831 300 HA LEU 44 HA LEU 44 -2.301 -8.010 -1.752 301 HB2 LEU 44 1HB LEU 44 0.033 -7.878 -2.287 302 HB3 LEU 44 2HB LEU 44 0.055 -9.532 -2.871 303 HG LEU 44 HG LEU 44 -1.441 -8.825 -4.757 304 HD11 LEU 44 1HD1 LEU 44 -0.861 -6.054 -3.720 305 HD12 LEU 44 2HD1 LEU 44 -2.435 -6.844 -3.811 306 HD13 LEU 44 3HD1 LEU 44 -1.572 -6.425 -5.289 307 HD21 LEU 44 1HD2 LEU 44 1.208 -7.392 -4.590 308 HD22 LEU 44 2HD2 LEU 44 0.322 -7.787 -6.063 309 HD23 LEU 44 3HD2 LEU 44 0.970 -9.079 -5.053 310 H ASP 45 H ASP 45 -4.045 -8.281 -3.028 311 HA ASP 45 HA ASP 45 -4.167 -10.488 -4.895 312 HB2 ASP 45 1HB ASP 45 -5.066 -11.462 -2.759 313 HB3 ASP 45 2HB ASP 45 -6.342 -10.249 -2.794 314 H VAL 46 H VAL 46 -4.642 -9.374 -6.678 315 HA VAL 46 HA VAL 46 -6.345 -6.994 -6.466 316 HB VAL 46 HB VAL 46 -4.677 -7.922 -8.814 317 HG11 VAL 46 1HG1 VAL 46 -6.053 -5.286 -8.292 318 HG12 VAL 46 2HG1 VAL 46 -6.508 -6.482 -9.506 319 HG13 VAL 46 3HG1 VAL 46 -4.975 -5.622 -9.646 320 HG21 VAL 46 1HG2 VAL 46 -3.246 -7.405 -6.912 321 HG22 VAL 46 2HG2 VAL 46 -4.040 -5.842 -6.720 322 HG23 VAL 46 3HG2 VAL 46 -3.082 -6.172 -8.163 323 H GLN 47 H GLN 47 -8.432 -7.205 -6.925 324 HA GLN 47 HA GLN 47 -9.330 -9.365 -8.701 325 HB2 GLN 47 1HB GLN 47 -10.911 -7.492 -6.909 326 HB3 GLN 47 2HB GLN 47 -11.602 -8.785 -7.880 327 HG2 GLN 47 1HG GLN 47 -9.659 -9.133 -5.599 328 HG3 GLN 47 2HG GLN 47 -11.395 -9.419 -5.531 329 HE21 GLN 47 1HE2 GLN 47 -8.880 -12.188 -7.079 330 HE22 GLN 47 2HE2 GLN 47 -8.337 -10.622 -6.610 331 H ASP 48 H ASP 48 -9.724 -8.901 -10.771 332 HA ASP 48 HA ASP 48 -10.022 -6.074 -11.548 333 HB2 ASP 48 1HB ASP 48 -9.202 -6.724 -13.743 334 HB3 ASP 48 2HB ASP 48 -8.087 -7.311 -12.513 335 H GLY 49 H GLY 49 -11.769 -5.409 -12.731 336 HA2 GLY 49 1HA GLY 49 -13.416 -7.065 -14.282 337 HA3 GLY 49 2HA GLY 49 -14.147 -6.905 -12.690 338 H ASP 50 H ASP 50 -15.488 -6.019 -14.881 339 HA ASP 50 HA ASP 50 -15.135 -3.280 -15.496 340 HB2 ASP 50 1HB ASP 50 -17.367 -3.377 -16.448 341 HB3 ASP 50 2HB ASP 50 -16.502 -4.852 -16.857 342 H GLU 51 H GLU 51 -16.390 -4.889 -12.763 343 HA GLU 51 HA GLU 51 -18.035 -2.820 -11.704 344 HB2 GLU 51 1HB GLU 51 -16.570 -5.028 -10.229 345 HB3 GLU 51 2HB GLU 51 -17.939 -4.101 -9.626 346 HG2 GLU 51 1HG GLU 51 -19.394 -5.082 -11.282 347 HG3 GLU 51 2HG GLU 51 -18.036 -5.923 -12.027 348 H GLY 52 H GLY 52 -14.712 -3.096 -12.133 349 HA2 GLY 52 1HA GLY 52 -13.520 -0.951 -11.586 350 HA3 GLY 52 2HA GLY 52 -14.108 -1.203 -9.946 351 H THR 53 H THR 53 -11.482 -1.597 -11.924 352 HA THR 53 HA THR 53 -10.477 -4.098 -10.981 353 HB THR 53 HB THR 53 -8.875 -1.788 -12.088 354 HG1 THR 53 1HG THR 53 -10.730 -2.791 -13.396 355 HG21 THR 53 1HG2 THR 53 -7.508 -3.510 -11.019 356 HG22 THR 53 2HG2 THR 53 -7.286 -3.545 -12.768 357 HG23 THR 53 3HG2 THR 53 -8.303 -4.755 -11.984 358 H VAL 54 H VAL 54 -10.208 -4.354 -8.884 359 HA VAL 54 HA VAL 54 -9.137 -2.139 -7.269 360 HB VAL 54 HB VAL 54 -11.425 -2.580 -6.671 361 HG11 VAL 54 1HG1 VAL 54 -11.610 -4.858 -7.538 362 HG12 VAL 54 2HG1 VAL 54 -12.206 -4.754 -5.880 363 HG13 VAL 54 3HG1 VAL 54 -10.618 -5.452 -6.205 364 HG21 VAL 54 1HG2 VAL 54 -9.557 -3.729 -4.589 365 HG22 VAL 54 2HG2 VAL 54 -11.185 -3.119 -4.286 366 HG23 VAL 54 3HG2 VAL 54 -9.922 -2.020 -4.836 367 H ALA 55 H ALA 55 -7.237 -2.430 -6.369 368 HA ALA 55 HA ALA 55 -6.057 -5.108 -6.154 369 HB1 ALA 55 1HB ALA 55 -3.981 -3.914 -5.616 370 HB2 ALA 55 2HB ALA 55 -4.853 -2.381 -5.622 371 HB3 ALA 55 3HB ALA 55 -4.693 -3.308 -7.113 372 H LEU 56 H LEU 56 -6.472 -6.217 -4.310 373 HA LEU 56 HA LEU 56 -7.161 -4.822 -1.855 374 HB2 LEU 56 1HB LEU 56 -6.844 -7.799 -2.301 375 HB3 LEU 56 2HB LEU 56 -7.624 -7.021 -0.935 376 HG LEU 56 HG LEU 56 -8.620 -7.017 -3.790 377 HD11 LEU 56 1HD1 LEU 56 -10.444 -8.391 -2.924 378 HD12 LEU 56 2HD1 LEU 56 -9.688 -8.401 -1.328 379 HD13 LEU 56 3HD1 LEU 56 -8.881 -9.178 -2.694 380 HD21 LEU 56 1HD2 LEU 56 -9.855 -5.812 -1.306 381 HD22 LEU 56 2HD2 LEU 56 -10.623 -5.918 -2.890 382 HD23 LEU 56 3HD2 LEU 56 -9.184 -4.923 -2.674 383 H ILE 57 H ILE 57 -5.690 -4.181 -0.470 384 HA ILE 57 HA ILE 57 -3.104 -5.598 -0.272 385 HB ILE 57 HB ILE 57 -3.641 -2.701 0.453 386 HG12 ILE 57 1HG1 ILE 57 -3.916 -3.050 -1.990 387 HG13 ILE 57 2HG1 ILE 57 -2.518 -2.052 -1.612 388 HG21 ILE 57 1HG2 ILE 57 -1.203 -2.504 0.510 389 HG22 ILE 57 2HG2 ILE 57 -1.046 -4.214 0.107 390 HG23 ILE 57 3HG2 ILE 57 -1.770 -3.732 1.640 391 HD11 ILE 57 1HD1 ILE 57 -2.461 -4.969 -2.348 392 HD12 ILE 57 2HD1 ILE 57 -1.056 -3.976 -1.963 393 HD13 ILE 57 3HD1 ILE 57 -2.026 -3.615 -3.391 394 H ASP 58 H ASP 58 -2.706 -6.527 1.675 395 HA ASP 58 HA ASP 58 -4.436 -5.788 3.958 396 HB2 ASP 58 1HB ASP 58 -4.225 -8.229 2.938 397 HB3 ASP 58 2HB ASP 58 -2.758 -8.286 3.905 398 H MET 59 H MET 59 -3.465 -4.530 5.497 399 HA MET 59 HA MET 59 -0.610 -4.935 6.035 400 HB2 MET 59 1HB MET 59 -1.785 -2.223 5.370 401 HB3 MET 59 2HB MET 59 -0.177 -2.483 6.027 402 HG2 MET 59 1HG MET 59 0.210 -3.944 3.947 403 HG3 MET 59 2HG MET 59 -1.228 -3.151 3.305 404 HE1 MET 59 1HE MET 59 -0.017 0.662 3.477 405 HE2 MET 59 2HE MET 59 -0.713 -0.200 4.851 406 HE3 MET 59 3HE MET 59 -1.414 -0.395 3.240 407 H THR 60 H THR 60 0.142 -3.617 7.889 408 HA THR 60 HA THR 60 -1.810 -2.603 9.750 409 HB THR 60 HB THR 60 -1.803 -5.022 10.311 410 HG1 THR 60 1HG THR 60 -2.147 -4.137 12.193 411 HG21 THR 60 1HG2 THR 60 1.139 -4.615 10.896 412 HG22 THR 60 2HG2 THR 60 0.470 -5.591 9.589 413 HG23 THR 60 3HG2 THR 60 0.202 -6.064 11.265 414 H LEU 61 H LEU 61 -0.884 -1.065 11.084 415 HA LEU 61 HA LEU 61 1.887 -0.346 10.558 416 HB2 LEU 61 1HB LEU 61 -0.306 0.967 12.173 417 HB3 LEU 61 2HB LEU 61 1.337 1.573 12.152 418 HG LEU 61 HG LEU 61 -0.011 2.884 10.647 419 HD11 LEU 61 1HD1 LEU 61 1.251 2.671 8.584 420 HD12 LEU 61 2HD1 LEU 61 1.779 1.053 9.051 421 HD13 LEU 61 3HD1 LEU 61 2.301 2.455 9.983 422 HD21 LEU 61 1HD2 LEU 61 -0.683 0.310 9.217 423 HD22 LEU 61 2HD2 LEU 61 -1.139 1.935 8.699 424 HD23 LEU 61 3HD2 LEU 61 -1.787 1.272 10.201 425 H THR 62 H THR 62 3.255 0.298 12.528 426 HA THR 62 HA THR 62 3.921 -1.950 13.958 427 HB THR 62 HB THR 62 5.496 -0.140 13.765 428 HG1 THR 62 1HG THR 62 5.378 -1.539 15.777 429 HG21 THR 62 1HG2 THR 62 3.664 1.458 15.565 430 HG22 THR 62 2HG2 THR 62 3.965 1.767 13.855 431 HG23 THR 62 3HG2 THR 62 5.268 1.958 15.028 432 H SER 63 H SER 63 1.980 0.793 15.180 433 HA SER 63 HA SER 63 1.099 -0.878 17.428 434 HB2 SER 63 1HB SER 63 0.671 2.091 16.971 435 HB3 SER 63 2HB SER 63 0.366 1.195 18.461 436 HG SER 63 HG SER 63 2.756 0.640 18.189 437 H ALA 64 H ALA 64 0.162 0.128 14.383 438 HA ALA 64 HA ALA 64 -1.700 -0.063 13.119 439 HB1 ALA 64 1HB ALA 64 -1.713 -2.341 14.002 440 HB2 ALA 64 2HB ALA 64 -3.353 -1.750 13.740 441 HB3 ALA 64 3HB ALA 64 -2.689 -1.813 15.372 442 H ALA 65 H ALA 65 -1.627 1.780 15.736 443 HA ALA 65 HA ALA 65 -4.399 2.732 15.388 444 HB1 ALA 65 1HB ALA 65 -2.649 2.995 17.840 445 HB2 ALA 65 2HB ALA 65 -3.990 1.866 17.646 446 HB3 ALA 65 3HB ALA 65 -4.298 3.602 17.669 447 H CYS 66 H CYS 66 -1.111 3.427 14.995 448 HA CYS 66 HA CYS 66 -1.075 6.209 15.461 449 HB2 CYS 66 2HB CYS 66 1.048 6.104 14.066 450 HB3 CYS 66 1HB CYS 66 1.004 5.055 15.480 451 HG CYS 66 HG CYS 66 2.066 4.106 12.766 452 HA PRO 67 HA PRO 67 -3.193 7.759 11.940 453 HB2 PRO 67 2HB PRO 67 -1.638 10.243 12.088 454 HB3 PRO 67 1HB PRO 67 -3.332 9.960 12.493 455 HG2 PRO 67 2HG PRO 67 -1.468 10.482 14.377 456 HG3 PRO 67 1HG PRO 67 -2.855 9.421 14.686 457 HD2 PRO 67 2HD PRO 67 -0.021 8.678 14.014 458 HD3 PRO 67 1HD PRO 67 -1.100 7.994 15.252 459 H LEU 68 H LEU 68 -0.801 6.230 11.198 460 HA LEU 68 HA LEU 68 0.248 7.723 8.912 461 HB2 LEU 68 1HB LEU 68 0.896 5.008 10.070 462 HB3 LEU 68 2HB LEU 68 1.521 5.528 8.518 463 HG LEU 68 HG LEU 68 3.206 5.840 10.216 464 HD11 LEU 68 1HD1 LEU 68 2.064 8.508 9.387 465 HD12 LEU 68 2HD1 LEU 68 3.100 7.480 8.398 466 HD13 LEU 68 3HD1 LEU 68 3.726 8.189 9.886 467 HD21 LEU 68 1HD2 LEU 68 2.902 7.352 12.108 468 HD22 LEU 68 2HD2 LEU 68 1.749 6.020 12.171 469 HD23 LEU 68 3HD2 LEU 68 1.221 7.617 11.641 470 H THR 69 H THR 69 -2.337 5.749 9.682 471 HA THR 69 HA THR 69 -2.699 3.996 7.597 472 HB THR 69 HB THR 69 -4.191 3.907 9.448 473 HG1 THR 69 1HG THR 69 -5.270 4.347 6.926 474 HG21 THR 69 1HG2 THR 69 -5.783 5.617 10.050 475 HG22 THR 69 2HG2 THR 69 -5.285 6.618 8.684 476 HG23 THR 69 3HG2 THR 69 -4.166 6.323 10.016 477 H ASP 70 H ASP 70 -3.922 7.362 7.696 478 HA ASP 70 HA ASP 70 -5.080 7.215 5.113 479 HB2 ASP 70 1HB ASP 70 -5.336 9.672 5.327 480 HB3 ASP 70 2HB ASP 70 -5.899 8.817 6.758 481 H VAL 71 H VAL 71 -1.934 8.169 6.310 482 HA VAL 71 HA VAL 71 -1.028 9.537 4.017 483 HB VAL 71 HB VAL 71 0.633 7.985 6.025 484 HG11 VAL 71 1HG1 VAL 71 1.896 8.502 4.008 485 HG12 VAL 71 2HG1 VAL 71 2.459 9.503 5.348 486 HG13 VAL 71 3HG1 VAL 71 1.411 10.196 4.109 487 HG21 VAL 71 1HG2 VAL 71 -0.194 10.893 6.038 488 HG22 VAL 71 2HG2 VAL 71 0.912 10.132 7.183 489 HG23 VAL 71 3HG2 VAL 71 -0.782 9.640 7.132 490 H ILE 72 H ILE 72 -0.492 6.141 5.065 491 HA ILE 72 HA ILE 72 0.869 5.492 2.641 492 HB ILE 72 HB ILE 72 0.670 3.116 3.416 493 HG12 ILE 72 1HG1 ILE 72 -0.718 4.472 5.740 494 HG13 ILE 72 2HG1 ILE 72 -1.328 3.154 4.741 495 HG21 ILE 72 1HG2 ILE 72 2.623 4.510 3.878 496 HG22 ILE 72 2HG2 ILE 72 2.296 3.416 5.221 497 HG23 ILE 72 3HG2 ILE 72 1.855 5.120 5.345 498 HD11 ILE 72 1HD1 ILE 72 -0.630 2.366 6.923 499 HD12 ILE 72 2HD1 ILE 72 0.993 2.997 6.645 500 HD13 ILE 72 3HD1 ILE 72 0.377 1.677 5.651 501 H GLU 73 H GLU 73 -2.495 5.346 3.636 502 HA GLU 73 HA GLU 73 -3.415 3.749 1.480 503 HB2 GLU 73 1HB GLU 73 -4.759 5.818 3.210 504 HB3 GLU 73 2HB GLU 73 -5.617 5.031 1.888 505 HG2 GLU 73 1HG GLU 73 -5.220 2.861 2.885 506 HG3 GLU 73 2HG GLU 73 -4.298 3.604 4.187 507 H ASP 74 H ASP 74 -3.068 7.246 1.866 508 HA ASP 74 HA ASP 74 -4.003 8.010 -0.669 509 HB2 ASP 74 1HB ASP 74 -3.745 9.659 1.070 510 HB3 ASP 74 2HB ASP 74 -2.022 9.326 1.206 511 H GLN 75 H GLN 75 -0.695 7.406 0.489 512 HA GLN 75 HA GLN 75 0.656 7.828 -1.917 513 HB2 GLN 75 1HB GLN 75 1.356 5.867 0.289 514 HB3 GLN 75 2HB GLN 75 2.457 6.424 -0.964 515 HG2 GLN 75 1HG GLN 75 1.213 8.090 1.214 516 HG3 GLN 75 2HG GLN 75 2.899 7.589 1.097 517 HE21 GLN 75 1HE2 GLN 75 2.283 11.108 -0.143 518 HE22 GLN 75 2HE2 GLN 75 1.722 10.257 1.254 519 H SER 76 H SER 76 -0.777 4.878 -0.585 520 HA SER 76 HA SER 76 0.087 3.080 -2.533 521 HB2 SER 76 1HB SER 76 -0.904 2.372 -0.397 522 HB3 SER 76 2HB SER 76 -2.467 3.012 -0.899 523 HG SER 76 HG SER 76 -1.034 0.901 -2.157 524 H ARG 77 H ARG 77 -3.202 4.529 -2.285 525 HA ARG 77 HA ARG 77 -4.086 3.625 -4.764 526 HB2 ARG 77 1HB ARG 77 -5.560 4.653 -3.026 527 HB3 ARG 77 2HB ARG 77 -4.923 6.234 -3.467 528 HG2 ARG 77 1HG ARG 77 -5.804 5.973 -5.733 529 HG3 ARG 77 2HG ARG 77 -6.415 4.372 -5.322 530 HD2 ARG 77 1HD ARG 77 -7.843 5.447 -3.572 531 HD3 ARG 77 2HD ARG 77 -7.312 7.018 -4.179 532 HE ARG 77 HE ARG 77 -8.314 5.479 -6.319 533 HH11 ARG 77 1HH1 ARG 77 -9.443 7.268 -3.520 534 HH12 ARG 77 2HH1 ARG 77 -11.044 7.495 -4.167 535 HH21 ARG 77 1HH2 ARG 77 -10.409 5.780 -7.161 536 HH22 ARG 77 2HH2 ARG 77 -11.588 6.657 -6.234 537 H SER 78 H SER 78 -2.512 6.706 -3.971 538 HA SER 78 HA SER 78 -2.722 7.946 -6.446 539 HB2 SER 78 1HB SER 78 -1.980 9.122 -4.425 540 HB3 SER 78 2HB SER 78 -0.484 8.189 -4.413 541 HG SER 78 HG SER 78 -0.556 10.414 -5.429 542 H ALA 79 H ALA 79 -0.177 5.756 -5.250 543 HA ALA 79 HA ALA 79 1.437 6.069 -7.596 544 HB1 ALA 79 1HB ALA 79 1.559 3.925 -5.468 545 HB2 ALA 79 2HB ALA 79 2.404 5.472 -5.416 546 HB3 ALA 79 3HB ALA 79 2.810 4.288 -6.657 547 H LEU 80 H LEU 80 -0.668 3.456 -6.382 548 HA LEU 80 HA LEU 80 -0.191 1.658 -8.472 549 HB2 LEU 80 1HB LEU 80 -2.395 1.963 -6.464 550 HB3 LEU 80 2HB LEU 80 -2.585 0.810 -7.772 551 HG LEU 80 HG LEU 80 -0.564 -0.382 -7.050 552 HD11 LEU 80 1HD1 LEU 80 -0.457 1.575 -4.755 553 HD12 LEU 80 2HD1 LEU 80 0.675 1.510 -6.106 554 HD13 LEU 80 3HD1 LEU 80 0.572 0.159 -4.979 555 HD21 LEU 80 1HD2 LEU 80 -2.546 0.069 -4.818 556 HD22 LEU 80 2HD2 LEU 80 -1.435 -1.296 -4.947 557 HD23 LEU 80 3HD2 LEU 80 -2.711 -1.081 -6.146 558 H VAL 81 H VAL 81 -2.458 4.331 -8.228 559 HA VAL 81 HA VAL 81 -3.652 3.714 -10.795 560 HB VAL 81 HB VAL 81 -4.887 4.872 -8.904 561 HG11 VAL 81 1HG1 VAL 81 -3.196 6.494 -8.257 562 HG12 VAL 81 2HG1 VAL 81 -4.684 7.309 -8.731 563 HG13 VAL 81 3HG1 VAL 81 -3.312 7.272 -9.838 564 HG21 VAL 81 1HG2 VAL 81 -6.177 6.324 -10.422 565 HG22 VAL 81 2HG2 VAL 81 -5.809 4.757 -11.146 566 HG23 VAL 81 3HG2 VAL 81 -4.890 6.185 -11.622 567 H GLY 82 H GLY 82 -0.971 5.528 -9.556 568 HA2 GLY 82 1HA GLY 82 -0.862 7.498 -11.642 569 HA3 GLY 82 2HA GLY 82 0.389 7.156 -10.453 570 H SER 83 H SER 83 0.401 4.294 -11.190 571 HA SER 83 HA SER 83 2.083 4.527 -13.588 572 HB2 SER 83 1HB SER 83 3.066 3.465 -11.571 573 HB3 SER 83 2HB SER 83 1.812 2.225 -11.625 574 HG SER 83 HG SER 83 4.137 2.284 -12.920 575 H GLY 84 H GLY 84 -1.052 3.990 -12.959 576 HA2 GLY 84 1HA GLY 84 -2.762 3.194 -14.268 577 HA3 GLY 84 2HA GLY 84 -1.567 2.816 -15.498 578 H LEU 85 H LEU 85 -1.166 1.490 -12.326 579 HA LEU 85 HA LEU 85 -1.198 -1.188 -13.269 580 HB2 LEU 85 1HB LEU 85 -1.483 -0.277 -10.394 581 HB3 LEU 85 2HB LEU 85 -0.893 -1.830 -10.957 582 HG LEU 85 HG LEU 85 0.517 0.831 -11.256 583 HD11 LEU 85 1HD1 LEU 85 0.582 -0.034 -8.978 584 HD12 LEU 85 2HD1 LEU 85 2.173 -0.122 -9.734 585 HD13 LEU 85 3HD1 LEU 85 1.192 -1.581 -9.569 586 HD21 LEU 85 1HD2 LEU 85 1.387 -1.922 -12.137 587 HD22 LEU 85 2HD2 LEU 85 2.389 -0.469 -12.161 588 HD23 LEU 85 3HD2 LEU 85 0.960 -0.570 -13.187 589 H VAL 86 H VAL 86 -3.322 0.540 -11.035 590 HA VAL 86 HA VAL 86 -5.656 -0.896 -12.077 591 HB VAL 86 HB VAL 86 -6.558 -1.174 -9.787 592 HG11 VAL 86 1HG1 VAL 86 -5.427 -3.069 -10.814 593 HG12 VAL 86 2HG1 VAL 86 -5.144 -3.049 -9.074 594 HG13 VAL 86 3HG1 VAL 86 -3.878 -2.513 -10.177 595 HG21 VAL 86 1HG2 VAL 86 -3.823 -0.263 -8.873 596 HG22 VAL 86 2HG2 VAL 86 -5.088 -0.920 -7.832 597 HG23 VAL 86 3HG2 VAL 86 -5.340 0.613 -8.667 598 H ASP 87 H ASP 87 -7.646 0.237 -10.707 599 HA ASP 87 HA ASP 87 -7.136 3.148 -10.782 600 HB2 ASP 87 1HB ASP 87 -8.697 2.152 -12.586 601 HB3 ASP 87 2HB ASP 87 -9.846 1.899 -11.277 602 H ASP 88 H ASP 88 -8.829 0.477 -9.279 603 HA ASP 88 HA ASP 88 -9.409 2.143 -6.920 604 HB2 ASP 88 1HB ASP 88 -10.712 -0.477 -7.723 605 HB3 ASP 88 2HB ASP 88 -11.213 0.595 -6.419 606 H ILE 89 H ILE 89 -8.951 1.271 -4.867 607 HA ILE 89 HA ILE 89 -7.562 -1.310 -4.743 608 HB ILE 89 HB ILE 89 -5.819 -0.506 -3.278 609 HG12 ILE 89 1HG1 ILE 89 -6.833 2.320 -3.687 610 HG13 ILE 89 2HG1 ILE 89 -7.216 1.352 -2.267 611 HG21 ILE 89 1HG2 ILE 89 -5.315 -0.432 -5.651 612 HG22 ILE 89 2HG2 ILE 89 -4.511 0.899 -4.818 613 HG23 ILE 89 3HG2 ILE 89 -5.970 1.203 -5.762 614 HD11 ILE 89 1HD1 ILE 89 -5.391 2.888 -1.836 615 HD12 ILE 89 2HD1 ILE 89 -4.456 2.167 -3.146 616 HD13 ILE 89 3HD1 ILE 89 -4.851 1.214 -1.713 617 H ARG 90 H ARG 90 -7.333 -2.003 -2.417 618 HA ARG 90 HA ARG 90 -9.091 -0.661 -0.523 619 HB2 ARG 90 1HB ARG 90 -10.594 -2.276 -1.544 620 HB3 ARG 90 2HB ARG 90 -9.434 -3.570 -1.272 621 HG2 ARG 90 1HG ARG 90 -11.202 -3.661 0.373 622 HG3 ARG 90 2HG ARG 90 -9.669 -3.275 1.150 623 HD2 ARG 90 1HD ARG 90 -10.958 -0.830 0.405 624 HD3 ARG 90 2HD ARG 90 -12.125 -1.839 1.254 625 HE ARG 90 HE ARG 90 -9.505 -1.024 2.362 626 HH11 ARG 90 1HH1 ARG 90 -12.876 -1.881 2.798 627 HH12 ARG 90 2HH1 ARG 90 -12.846 -1.602 4.509 628 HH21 ARG 90 1HH2 ARG 90 -9.498 -0.628 4.616 629 HH22 ARG 90 2HH2 ARG 90 -10.954 -0.890 5.529 630 H ILE 91 H ILE 91 -7.532 -0.243 0.966 631 HA ILE 91 HA ILE 91 -5.694 -2.372 1.752 632 HB ILE 91 HB ILE 91 -5.856 0.491 2.731 633 HG12 ILE 91 1HG1 ILE 91 -3.961 -0.863 0.783 634 HG13 ILE 91 2HG1 ILE 91 -5.166 0.357 0.383 635 HG21 ILE 91 1HG2 ILE 91 -3.666 0.043 3.761 636 HG22 ILE 91 2HG2 ILE 91 -3.773 -1.642 3.246 637 HG23 ILE 91 3HG2 ILE 91 -4.921 -1.006 4.424 638 HD11 ILE 91 1HD1 ILE 91 -3.953 1.988 1.740 639 HD12 ILE 91 2HD1 ILE 91 -2.953 1.319 0.454 640 HD13 ILE 91 3HD1 ILE 91 -2.736 0.763 2.112 641 H ASN 92 H ASN 92 -6.183 -3.702 3.325 642 HA ASN 92 HA ASN 92 -8.286 -2.994 5.248 643 HB2 ASN 92 1HB ASN 92 -8.683 -5.084 4.088 644 HB3 ASN 92 2HB ASN 92 -7.070 -5.664 4.486 645 HD21 ASN 92 1HD2 ASN 92 -7.925 -6.831 7.647 646 HD22 ASN 92 2HD2 ASN 92 -6.681 -6.525 6.482 647 H TRP 93 H TRP 93 -7.855 -2.730 7.356 648 HA TRP 93 HA TRP 93 -5.046 -2.837 8.169 649 HB2 TRP 93 2HB TRP 93 -7.428 -1.458 9.441 650 HB3 TRP 93 1HB TRP 93 -5.788 -1.422 10.084 651 HD1 TRP 93 1HD TRP 93 -7.921 0.812 8.329 652 HE1 TRP 93 1HE TRP 93 -6.618 2.441 6.813 653 HE3 TRP 93 3HE TRP 93 -3.446 -1.659 8.125 654 HZ2 TRP 93 2HZ TRP 93 -4.055 2.633 5.676 655 HZ3 TRP 93 3HZ TRP 93 -1.626 -0.685 6.790 656 HH2 TRP 93 2HH TRP 93 -1.932 1.414 5.590 657 H VAL 94 H VAL 94 -4.523 -4.781 8.963 658 HA VAL 94 HA VAL 94 -6.444 -6.246 10.603 659 HB VAL 94 HB VAL 94 -3.584 -7.013 10.001 660 HG11 VAL 94 1HG1 VAL 94 -5.952 -8.659 10.892 661 HG12 VAL 94 2HG1 VAL 94 -4.562 -8.204 11.882 662 HG13 VAL 94 3HG1 VAL 94 -4.349 -9.290 10.507 663 HG21 VAL 94 1HG2 VAL 94 -6.080 -7.751 8.465 664 HG22 VAL 94 2HG2 VAL 94 -4.466 -8.404 8.176 665 HG23 VAL 94 3HG2 VAL 94 -4.787 -6.694 7.895 666 H TRP 95 H TRP 95 -6.543 -5.984 12.731 667 HA TRP 95 HA TRP 95 -4.276 -4.775 14.154 668 HB2 TRP 95 2HB TRP 95 -7.102 -5.224 15.163 669 HB3 TRP 95 1HB TRP 95 -5.864 -4.196 15.883 670 HD1 TRP 95 1HD TRP 95 -5.055 -2.091 14.117 671 HE1 TRP 95 1HE TRP 95 -6.591 -0.567 12.724 672 HE3 TRP 95 3HE TRP 95 -9.241 -5.023 14.037 673 HZ2 TRP 95 2HZ TRP 95 -9.226 -0.606 11.720 674 HZ3 TRP 95 3HZ TRP 95 -11.227 -4.208 12.835 675 HH2 TRP 95 2HH TRP 95 -11.219 -2.043 11.701 676 H ASN 96 H ASN 96 -6.304 -7.556 13.939 677 HA ASN 96 HA ASN 96 -4.700 -9.491 14.949 678 HB2 ASN 96 1HB ASN 96 -4.702 -8.190 17.100 679 HB3 ASN 96 2HB ASN 96 -6.440 -8.450 17.211 680 HD21 ASN 96 1HD2 ASN 96 -3.819 -11.395 18.179 681 HD22 ASN 96 2HD2 ASN 96 -3.294 -9.922 17.438 682 HA PRO 97 HA PRO 97 -9.505 -10.733 14.947 683 HB2 PRO 97 2HB PRO 97 -10.491 -8.235 13.641 684 HB3 PRO 97 1HB PRO 97 -11.277 -9.259 14.848 685 HG2 PRO 97 2HG PRO 97 -10.260 -6.911 15.553 686 HG3 PRO 97 1HG PRO 97 -10.070 -8.325 16.612 687 HD2 PRO 97 2HD PRO 97 -8.082 -7.080 14.738 688 HD3 PRO 97 1HD PRO 97 -7.843 -7.697 16.387 689 HA PRO 98 HA PRO 98 -8.946 -11.911 10.723 690 HB2 PRO 98 2HB PRO 98 -11.769 -12.660 10.469 691 HB3 PRO 98 1HB PRO 98 -10.342 -13.697 10.553 692 HG2 PRO 98 2HG PRO 98 -12.142 -13.553 12.566 693 HG3 PRO 98 1HG PRO 98 -10.417 -13.846 12.850 694 HD2 PRO 98 2HD PRO 98 -11.967 -11.283 13.108 695 HD3 PRO 98 1HD PRO 98 -10.741 -11.972 14.198 696 H TRP 99 H TRP 99 -10.253 -11.892 8.532 697 HA TRP 99 HA TRP 99 -10.656 -9.074 7.922 698 HB2 TRP 99 2HB TRP 99 -10.560 -11.436 6.024 699 HB3 TRP 99 1HB TRP 99 -10.355 -9.733 5.619 700 HD1 TRP 99 1HD TRP 99 -8.014 -8.575 6.404 701 HE1 TRP 99 1HE TRP 99 -5.684 -9.600 6.764 702 HE3 TRP 99 3HE TRP 99 -9.359 -13.486 6.840 703 HZ2 TRP 99 2HZ TRP 99 -4.569 -12.152 7.193 704 HZ3 TRP 99 3HZ TRP 99 -7.596 -15.159 7.231 705 HH2 TRP 99 2HH TRP 99 -5.249 -14.502 7.405 706 H GLY 100 H GLY 100 -12.286 -9.327 5.630 707 HA2 GLY 100 1HA GLY 100 -14.632 -10.791 5.894 708 HA3 GLY 100 2HA GLY 100 -14.881 -9.298 6.787 709 HA PRO 101 HA PRO 101 -16.052 -8.754 2.239 710 HB2 PRO 101 2HB PRO 101 -18.441 -7.503 2.803 711 HB3 PRO 101 1HB PRO 101 -18.269 -9.245 2.564 712 HG2 PRO 101 2HG PRO 101 -18.385 -7.688 5.126 713 HG3 PRO 101 1HG PRO 101 -19.187 -9.216 4.707 714 HD2 PRO 101 2HD PRO 101 -16.965 -9.173 6.213 715 HD3 PRO 101 1HD PRO 101 -17.246 -10.463 5.026 716 H ASP 102 H ASP 102 -15.365 -6.853 4.933 717 HA ASP 102 HA ASP 102 -15.838 -4.243 4.079 718 HB2 ASP 102 1HB ASP 102 -15.129 -4.769 6.365 719 HB3 ASP 102 2HB ASP 102 -13.559 -5.307 5.777 720 H LYS 103 H LYS 103 -13.637 -6.583 2.890 721 HA LYS 103 HA LYS 103 -11.727 -4.736 1.822 722 HB2 LYS 103 1HB LYS 103 -12.164 -7.686 1.322 723 HB3 LYS 103 2HB LYS 103 -10.875 -6.754 0.568 724 HG2 LYS 103 1HG LYS 103 -10.135 -6.129 2.913 725 HG3 LYS 103 2HG LYS 103 -11.252 -7.366 3.490 726 HD2 LYS 103 1HD LYS 103 -10.044 -9.080 2.257 727 HD3 LYS 103 2HD LYS 103 -8.983 -7.860 1.546 728 HE2 LYS 103 1HE LYS 103 -8.224 -7.269 3.840 729 HE3 LYS 103 2HE LYS 103 -9.185 -8.603 4.467 730 HZ1 LYS 103 1HZ LYS 103 -7.827 -10.148 3.268 731 HZ2 LYS 103 2HZ LYS 103 -6.815 -9.135 4.174 732 HZ3 LYS 103 3HZ LYS 103 -6.976 -8.899 2.508 733 H ILE 104 H ILE 104 -14.838 -5.178 0.970 734 HA ILE 104 HA ILE 104 -14.364 -4.665 -1.879 735 HB ILE 104 HB ILE 104 -16.997 -4.769 -0.373 736 HG12 ILE 104 1HG1 ILE 104 -15.894 -6.957 -0.318 737 HG13 ILE 104 2HG1 ILE 104 -17.285 -7.007 -1.394 738 HG21 ILE 104 1HG2 ILE 104 -18.020 -4.947 -2.596 739 HG22 ILE 104 2HG2 ILE 104 -16.431 -4.791 -3.345 740 HG23 ILE 104 3HG2 ILE 104 -17.111 -3.445 -2.429 741 HD11 ILE 104 1HD1 ILE 104 -15.792 -6.818 -3.322 742 HD12 ILE 104 2HD1 ILE 104 -15.407 -8.222 -2.324 743 HD13 ILE 104 3HD1 ILE 104 -14.402 -6.775 -2.233 744 H THR 105 H THR 105 -13.436 -2.632 -1.974 745 HA THR 105 HA THR 105 -13.871 -0.423 -0.480 746 HB THR 105 HB THR 105 -13.529 -0.051 -3.426 747 HG1 THR 105 1HG THR 105 -11.269 -0.829 -3.003 748 HG21 THR 105 1HG2 THR 105 -12.008 0.873 -0.990 749 HG22 THR 105 2HG2 THR 105 -13.195 1.822 -1.886 750 HG23 THR 105 3HG2 THR 105 -11.670 1.365 -2.649 751 H GLU 106 H GLU 106 -14.849 1.657 -1.154 752 HA GLU 106 HA GLU 106 -17.593 1.664 -1.124 753 HB2 GLU 106 1HB GLU 106 -16.289 3.609 -0.509 754 HB3 GLU 106 2HB GLU 106 -15.642 3.745 -2.136 755 HG2 GLU 106 1HG GLU 106 -18.077 4.126 -2.866 756 HG3 GLU 106 2HG GLU 106 -18.400 4.398 -1.154 757 H ASP 107 H ASP 107 -15.476 2.174 -3.913 758 HA ASP 107 HA ASP 107 -17.402 2.751 -5.826 759 HB2 ASP 107 1HB ASP 107 -14.746 1.353 -6.236 760 HB3 ASP 107 2HB ASP 107 -15.670 2.209 -7.470 761 H GLY 108 H GLY 108 -16.014 -0.379 -4.912 762 HA2 GLY 108 1HA GLY 108 -17.492 -1.931 -6.774 763 HA3 GLY 108 2HA GLY 108 -16.712 -2.531 -5.315 764 H ARG 109 H ARG 109 -18.111 -0.832 -3.495 765 HA ARG 109 HA ARG 109 -20.392 -2.442 -2.999 766 HB2 ARG 109 1HB ARG 109 -19.460 0.166 -1.776 767 HB3 ARG 109 2HB ARG 109 -20.856 -0.730 -1.189 768 HG2 ARG 109 1HG ARG 109 -18.113 -1.954 -1.383 769 HG3 ARG 109 2HG ARG 109 -18.672 -1.083 0.046 770 HD2 ARG 109 1HD ARG 109 -20.338 -3.302 -1.090 771 HD3 ARG 109 2HD ARG 109 -18.933 -3.686 -0.099 772 HE ARG 109 HE ARG 109 -19.977 -2.710 1.756 773 HH11 ARG 109 1HH1 ARG 109 -22.054 -2.581 -1.072 774 HH12 ARG 109 2HH1 ARG 109 -23.485 -2.260 -0.145 775 HH21 ARG 109 1HH2 ARG 109 -21.859 -2.291 2.955 776 HH22 ARG 109 2HH2 ARG 109 -23.379 -2.107 2.131 777 H GLU 110 H GLU 110 -19.935 0.721 -4.463 778 HA GLU 110 HA GLU 110 -22.551 1.675 -4.453 779 HB2 GLU 110 1HB GLU 110 -20.612 3.049 -5.085 780 HB3 GLU 110 2HB GLU 110 -20.415 2.099 -6.552 781 HG2 GLU 110 1HG GLU 110 -22.698 2.842 -7.251 782 HG3 GLU 110 2HG GLU 110 -22.721 3.912 -5.851 783 H GLN 111 H GLN 111 -20.990 -0.631 -6.544 784 HA GLN 111 HA GLN 111 -23.135 -0.441 -8.515 785 HB2 GLN 111 1HB GLN 111 -20.630 -2.109 -8.702 786 HB3 GLN 111 2HB GLN 111 -21.635 -1.500 -10.016 787 HG2 GLN 111 1HG GLN 111 -20.980 0.818 -9.336 788 HG3 GLN 111 2HG GLN 111 -19.858 0.103 -8.188 789 HE21 GLN 111 1HE2 GLN 111 -17.461 0.461 -10.688 790 HE22 GLN 111 2HE2 GLN 111 -18.072 1.022 -9.172 791 H LEU 112 H LEU 112 -23.158 -1.873 -5.778 792 HA LEU 112 HA LEU 112 -24.184 -4.454 -6.777 793 HB2 LEU 112 1HB LEU 112 -23.170 -3.733 -4.017 794 HB3 LEU 112 2HB LEU 112 -23.850 -5.287 -4.465 795 HG LEU 112 HG LEU 112 -21.297 -4.101 -5.579 796 HD11 LEU 112 1HD1 LEU 112 -21.045 -4.795 -3.259 797 HD12 LEU 112 2HD1 LEU 112 -20.174 -5.884 -4.335 798 HD13 LEU 112 3HD1 LEU 112 -21.718 -6.380 -3.644 799 HD21 LEU 112 1HD2 LEU 112 -20.984 -6.307 -6.621 800 HD22 LEU 112 2HD2 LEU 112 -22.415 -5.484 -7.238 801 HD23 LEU 112 3HD2 LEU 112 -22.586 -6.791 -6.066 802 H ARG 113 H ARG 113 -26.223 -5.108 -6.140 803 HA ARG 113 HA ARG 113 -28.192 -3.175 -5.730 804 HB2 ARG 113 1HB ARG 113 -28.261 -6.158 -5.211 805 HB3 ARG 113 2HB ARG 113 -29.683 -5.124 -5.153 806 HG2 ARG 113 1HG ARG 113 -29.394 -4.552 -7.503 807 HG3 ARG 113 2HG ARG 113 -27.930 -5.536 -7.574 808 HD2 ARG 113 1HD ARG 113 -30.679 -6.591 -6.894 809 HD3 ARG 113 2HD ARG 113 -29.950 -6.660 -8.499 810 HE ARG 113 HE ARG 113 -28.093 -7.932 -7.166 811 HH11 ARG 113 1HH1 ARG 113 -31.562 -8.201 -6.725 812 HH12 ARG 113 2HH1 ARG 113 -31.494 -9.869 -6.248 813 HH21 ARG 113 1HH2 ARG 113 -28.011 -10.135 -6.537 814 HH22 ARG 113 2HH2 ARG 113 -29.481 -10.955 -6.109 815 H ALA 114 H ALA 114 -26.281 -4.973 -3.448 816 HA ALA 114 HA ALA 114 -27.810 -4.662 -1.128 817 HB1 ALA 114 1HB ALA 114 -25.888 -6.176 -1.313 818 HB2 ALA 114 2HB ALA 114 -25.748 -5.113 0.088 819 HB3 ALA 114 3HB ALA 114 -24.802 -4.787 -1.365 820 H LEU 115 H LEU 115 -26.052 -2.308 -2.920 821 HA LEU 115 HA LEU 115 -25.557 -0.482 -0.762 822 HB2 LEU 115 1HB LEU 115 -24.447 -0.633 -3.128 823 HB3 LEU 115 2HB LEU 115 -25.809 0.333 -3.652 824 HG LEU 115 HG LEU 115 -23.753 1.657 -3.211 825 HD11 LEU 115 1HD1 LEU 115 -26.030 2.335 -1.353 826 HD12 LEU 115 2HD1 LEU 115 -25.938 2.742 -3.067 827 HD13 LEU 115 3HD1 LEU 115 -24.786 3.441 -1.933 828 HD21 LEU 115 1HD2 LEU 115 -22.826 0.362 -1.386 829 HD22 LEU 115 2HD2 LEU 115 -24.175 0.820 -0.346 830 HD23 LEU 115 3HD2 LEU 115 -23.034 2.044 -0.901 831 H GLY 116 H GLY 116 -28.144 -1.084 -3.038 832 HA2 GLY 116 1HA GLY 116 -30.311 -0.358 -3.120 833 HA3 GLY 116 2HA GLY 116 -30.105 0.211 -1.471 834 H PHE 117 H PHE 117 -29.572 2.332 -1.086 835 HA PHE 117 HA PHE 117 -29.805 4.563 -1.385 836 HB2 PHE 117 2HB PHE 117 -27.544 4.163 -2.410 837 HB3 PHE 117 1HB PHE 117 -28.321 4.087 -3.988 838 HD1 PHE 117 1HD PHE 117 -29.003 6.091 -5.122 839 HD2 PHE 117 2HD PHE 117 -27.503 6.279 -1.139 840 HE1 PHE 117 1HE PHE 117 -28.809 8.534 -5.310 841 HE2 PHE 117 2HE PHE 117 -27.310 8.725 -1.325 842 HZ PHE 117 HZ PHE 117 -27.961 9.857 -3.413 843 H THR 118 H THR 118 -32.090 4.402 -1.602 844 HA THR 118 HA THR 118 -33.061 4.870 -4.352 845 HB THR 118 HB THR 118 -33.934 2.787 -3.279 846 HG1 THR 118 1HG THR 118 -35.395 3.408 -4.711 847 HG21 THR 118 1HG2 THR 118 -35.267 4.707 -1.354 848 HG22 THR 118 2HG2 THR 118 -33.999 3.548 -0.951 849 HG23 THR 118 3HG2 THR 118 -35.585 2.976 -1.469 850 H VAL 119 H VAL 119 -32.158 6.517 -1.778 851 HA VAL 119 HA VAL 119 -32.538 8.505 -0.856 852 HB VAL 119 HB VAL 119 -34.545 9.032 -3.059 853 HG11 VAL 119 1HG1 VAL 119 -32.823 10.841 -1.375 854 HG12 VAL 119 2HG1 VAL 119 -34.563 10.616 -1.212 855 HG13 VAL 119 3HG1 VAL 119 -33.906 11.370 -2.664 856 HG21 VAL 119 1HG2 VAL 119 -32.676 9.994 -4.341 857 HG22 VAL 119 2HG2 VAL 119 -32.433 8.270 -4.056 858 HG23 VAL 119 3HG2 VAL 119 -31.546 9.455 -3.098 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 15.714 -3.029 1.412 2 H2 GLY 1 2H GLY 1 14.586 -1.921 1.998 3 H3 GLY 1 3H GLY 1 14.455 -2.500 0.416 4 HA2 GLY 1 1HA GLY 1 14.067 -4.043 2.918 5 HA3 GLY 1 2HA GLY 1 12.823 -3.590 1.762 6 HA PRO 2 HA PRO 2 15.392 -7.262 0.017 7 HB2 PRO 2 2HB PRO 2 16.088 -8.901 2.275 8 HB3 PRO 2 1HB PRO 2 17.171 -8.045 1.179 9 HG2 PRO 2 2HG PRO 2 16.830 -7.420 3.848 10 HG3 PRO 2 1HG PRO 2 17.439 -6.296 2.620 11 HD2 PRO 2 2HD PRO 2 14.681 -6.541 3.770 12 HD3 PRO 2 1HD PRO 2 15.605 -5.081 3.349 13 H GLY 3 H GLY 3 13.648 -8.248 -0.844 14 HA2 GLY 3 1HA GLY 3 12.275 -10.104 -1.101 15 HA3 GLY 3 2HA GLY 3 12.533 -10.508 0.587 16 H SER 4 H SER 4 10.117 -10.944 -0.036 17 HA SER 4 HA SER 4 7.971 -10.564 0.565 18 HB2 SER 4 1HB SER 4 9.100 -8.137 1.987 19 HB3 SER 4 2HB SER 4 7.464 -8.765 2.196 20 HG SER 4 HG SER 4 9.533 -9.468 3.567 21 H MET 5 H MET 5 9.479 -9.035 -1.712 22 HA MET 5 HA MET 5 7.872 -6.764 -2.298 23 HB2 MET 5 1HB MET 5 8.882 -6.972 -4.594 24 HB3 MET 5 2HB MET 5 10.053 -6.886 -3.286 25 HG2 MET 5 1HG MET 5 10.314 -9.334 -3.390 26 HG3 MET 5 2HG MET 5 9.182 -9.377 -4.741 27 HE1 MET 5 1HE MET 5 12.654 -8.008 -3.491 28 HE2 MET 5 2HE MET 5 11.874 -6.556 -4.122 29 HE3 MET 5 3HE MET 5 13.272 -7.237 -4.953 30 H SER 6 H SER 6 5.728 -7.263 -2.220 31 HA SER 6 HA SER 6 4.715 -9.580 -3.703 32 HB2 SER 6 1HB SER 6 3.240 -7.712 -1.822 33 HB3 SER 6 2HB SER 6 2.683 -9.281 -2.410 34 HG SER 6 HG SER 6 5.104 -9.013 -0.971 35 H GLU 7 H GLU 7 4.868 -6.157 -3.842 36 HA GLU 7 HA GLU 7 2.608 -5.721 -5.549 37 HB2 GLU 7 1HB GLU 7 3.369 -3.437 -5.700 38 HB3 GLU 7 2HB GLU 7 3.546 -3.978 -4.039 39 HG2 GLU 7 1HG GLU 7 5.729 -3.627 -6.087 40 HG3 GLU 7 2HG GLU 7 5.457 -2.661 -4.638 41 H THR 8 H THR 8 5.332 -7.348 -6.193 42 HA THR 8 HA THR 8 6.176 -6.228 -8.679 43 HB THR 8 HB THR 8 7.382 -8.458 -8.918 44 HG1 THR 8 1HG THR 8 6.921 -8.988 -6.224 45 HG21 THR 8 1HG2 THR 8 9.009 -7.957 -7.161 46 HG22 THR 8 2HG2 THR 8 7.835 -6.911 -6.362 47 HG23 THR 8 3HG2 THR 8 8.465 -6.476 -7.951 48 H SER 9 H SER 9 3.311 -6.772 -8.581 49 HA SER 9 HA SER 9 2.847 -9.081 -10.276 50 HB2 SER 9 1HB SER 9 0.887 -6.980 -9.300 51 HB3 SER 9 2HB SER 9 0.493 -8.565 -9.967 52 HG SER 9 HG SER 9 2.216 -8.675 -7.835 53 H ALA 10 H ALA 10 4.499 -7.028 -11.399 54 HA ALA 10 HA ALA 10 2.954 -6.379 -13.787 55 HB1 ALA 10 1HB ALA 10 4.471 -4.274 -12.224 56 HB2 ALA 10 2HB ALA 10 2.716 -4.392 -12.358 57 HB3 ALA 10 3HB ALA 10 3.687 -4.038 -13.787 58 HA PRO 11 HA PRO 11 6.689 -7.493 -15.900 59 HB2 PRO 11 2HB PRO 11 6.873 -5.539 -17.845 60 HB3 PRO 11 1HB PRO 11 5.822 -6.953 -17.944 61 HG2 PRO 11 2HG PRO 11 5.154 -4.155 -17.109 62 HG3 PRO 11 1HG PRO 11 4.226 -5.271 -18.128 63 HD2 PRO 11 2HD PRO 11 3.581 -4.860 -15.555 64 HD3 PRO 11 1HD PRO 11 3.416 -6.463 -16.302 65 H ALA 12 H ALA 12 8.889 -7.019 -16.009 66 HA ALA 12 HA ALA 12 9.855 -5.752 -13.778 67 HB1 ALA 12 1HB ALA 12 11.064 -7.474 -15.035 68 HB2 ALA 12 2HB ALA 12 12.078 -6.074 -14.687 69 HB3 ALA 12 3HB ALA 12 11.409 -6.298 -16.304 70 H GLU 13 H GLU 13 9.680 -4.374 -17.053 71 HA GLU 13 HA GLU 13 11.407 -2.199 -16.535 72 HB2 GLU 13 1HB GLU 13 9.203 -2.347 -18.609 73 HB3 GLU 13 2HB GLU 13 10.535 -1.203 -18.600 74 HG2 GLU 13 1HG GLU 13 11.025 -2.878 -20.210 75 HG3 GLU 13 2HG GLU 13 12.107 -3.124 -18.843 76 H GLU 14 H GLU 14 7.854 -2.355 -16.663 77 HA GLU 14 HA GLU 14 7.482 0.351 -15.830 78 HB2 GLU 14 1HB GLU 14 5.839 -0.863 -17.199 79 HB3 GLU 14 2HB GLU 14 5.555 -1.990 -15.881 80 HG2 GLU 14 1HG GLU 14 4.537 -0.294 -14.547 81 HG3 GLU 14 2HG GLU 14 5.024 0.967 -15.680 82 H LEU 15 H LEU 15 7.316 -2.787 -14.232 83 HA LEU 15 HA LEU 15 6.369 -1.965 -11.737 84 HB2 LEU 15 1HB LEU 15 6.510 -4.319 -12.566 85 HB3 LEU 15 2HB LEU 15 8.243 -4.270 -12.330 86 HG LEU 15 HG LEU 15 6.822 -5.452 -10.552 87 HD11 LEU 15 1HD1 LEU 15 8.254 -4.734 -8.724 88 HD12 LEU 15 2HD1 LEU 15 8.728 -3.300 -9.633 89 HD13 LEU 15 3HD1 LEU 15 9.180 -4.902 -10.215 90 HD21 LEU 15 1HD2 LEU 15 5.826 -4.067 -8.828 91 HD22 LEU 15 2HD2 LEU 15 5.083 -3.720 -10.388 92 HD23 LEU 15 3HD2 LEU 15 6.268 -2.605 -9.709 93 H LEU 16 H LEU 16 9.654 -2.142 -13.032 94 HA LEU 16 HA LEU 16 11.109 -1.656 -10.717 95 HB2 LEU 16 1HB LEU 16 12.147 -2.226 -12.862 96 HB3 LEU 16 2HB LEU 16 11.669 -0.673 -13.522 97 HG LEU 16 HG LEU 16 13.164 0.461 -11.897 98 HD11 LEU 16 1HD1 LEU 16 14.809 -0.890 -10.647 99 HD12 LEU 16 2HD1 LEU 16 13.955 -2.353 -11.141 100 HD13 LEU 16 3HD1 LEU 16 13.154 -1.170 -10.106 101 HD21 LEU 16 1HD2 LEU 16 13.967 -0.090 -14.149 102 HD22 LEU 16 2HD2 LEU 16 14.533 -1.656 -13.566 103 HD23 LEU 16 3HD2 LEU 16 15.269 -0.169 -12.961 104 H ALA 17 H ALA 17 9.844 0.714 -13.052 105 HA ALA 17 HA ALA 17 10.707 3.017 -11.700 106 HB1 ALA 17 1HB ALA 17 8.347 2.710 -13.565 107 HB2 ALA 17 2HB ALA 17 10.014 3.012 -14.056 108 HB3 ALA 17 3HB ALA 17 9.137 4.227 -13.128 109 H ASP 18 H ASP 18 7.520 1.400 -11.716 110 HA ASP 18 HA ASP 18 6.254 3.256 -10.011 111 HB2 ASP 18 1HB ASP 18 4.956 1.712 -11.392 112 HB3 ASP 18 2HB ASP 18 5.573 0.340 -10.473 113 H VAL 19 H VAL 19 7.759 0.110 -9.282 114 HA VAL 19 HA VAL 19 7.146 0.182 -6.525 115 HB VAL 19 HB VAL 19 7.863 -1.889 -7.858 116 HG11 VAL 19 1HG1 VAL 19 10.627 -0.861 -7.196 117 HG12 VAL 19 2HG1 VAL 19 9.930 -0.979 -8.816 118 HG13 VAL 19 3HG1 VAL 19 10.236 -2.443 -7.879 119 HG21 VAL 19 1HG2 VAL 19 8.874 -2.957 -5.880 120 HG22 VAL 19 2HG2 VAL 19 7.484 -1.959 -5.461 121 HG23 VAL 19 3HG2 VAL 19 9.116 -1.365 -5.159 122 H GLU 20 H GLU 20 9.878 1.374 -8.423 123 HA GLU 20 HA GLU 20 11.585 2.014 -6.282 124 HB2 GLU 20 1HB GLU 20 12.210 2.068 -8.712 125 HB3 GLU 20 2HB GLU 20 11.283 3.553 -8.876 126 HG2 GLU 20 1HG GLU 20 13.589 4.129 -8.666 127 HG3 GLU 20 2HG GLU 20 12.769 4.603 -7.179 128 H GLU 21 H GLU 21 9.053 3.926 -7.918 129 HA GLU 21 HA GLU 21 9.308 6.192 -6.223 130 HB2 GLU 21 1HB GLU 21 6.910 5.241 -7.813 131 HB3 GLU 21 2HB GLU 21 7.066 6.831 -7.076 132 HG2 GLU 21 1HG GLU 21 8.729 5.692 -9.318 133 HG3 GLU 21 2HG GLU 21 7.552 7.000 -9.416 134 H ALA 22 H ALA 22 7.131 3.375 -6.091 135 HA ALA 22 HA ALA 22 5.616 4.137 -3.876 136 HB1 ALA 22 1HB ALA 22 5.051 1.780 -3.632 137 HB2 ALA 22 2HB ALA 22 6.404 1.329 -4.671 138 HB3 ALA 22 3HB ALA 22 5.047 2.239 -5.336 139 H MET 23 H MET 23 8.652 2.333 -4.035 140 HA MET 23 HA MET 23 8.934 1.787 -1.295 141 HB2 MET 23 1HB MET 23 10.992 2.042 -3.492 142 HB3 MET 23 2HB MET 23 11.402 1.557 -1.850 143 HG2 MET 23 1HG MET 23 9.486 0.108 -3.668 144 HG3 MET 23 2HG MET 23 11.159 -0.354 -3.370 145 HE1 MET 23 1HE MET 23 9.077 -3.128 -1.505 146 HE2 MET 23 2HE MET 23 10.327 -2.823 -2.710 147 HE3 MET 23 3HE MET 23 8.663 -2.324 -3.020 148 H ARG 24 H ARG 24 9.065 4.733 -2.894 149 HA ARG 24 HA ARG 24 10.997 6.033 -1.141 150 HB2 ARG 24 1HB ARG 24 10.936 6.592 -3.504 151 HB3 ARG 24 2HB ARG 24 9.230 6.979 -3.412 152 HG2 ARG 24 1HG ARG 24 9.774 8.912 -1.974 153 HG3 ARG 24 2HG ARG 24 11.493 8.536 -2.168 154 HD2 ARG 24 1HD ARG 24 11.274 8.778 -4.597 155 HD3 ARG 24 2HD ARG 24 9.559 9.136 -4.416 156 HE ARG 24 HE ARG 24 11.152 10.960 -2.926 157 HH11 ARG 24 1HH1 ARG 24 10.038 10.181 -6.153 158 HH12 ARG 24 2HH1 ARG 24 10.265 11.783 -6.772 159 HH21 ARG 24 1HH2 ARG 24 11.443 13.091 -3.730 160 HH22 ARG 24 2HH2 ARG 24 11.063 13.442 -5.385 161 H ASP 25 H ASP 25 7.576 5.444 -1.194 162 HA ASP 25 HA ASP 25 7.190 7.558 0.847 163 HB2 ASP 25 1HB ASP 25 4.824 7.726 0.092 164 HB3 ASP 25 2HB ASP 25 5.983 8.228 -1.133 165 H VAL 26 H VAL 26 6.611 4.322 -0.165 166 HA VAL 26 HA VAL 26 4.949 3.533 2.009 167 HB VAL 26 HB VAL 26 6.599 2.006 -0.019 168 HG11 VAL 26 1HG1 VAL 26 4.722 0.861 2.045 169 HG12 VAL 26 2HG1 VAL 26 6.472 0.649 1.985 170 HG13 VAL 26 3HG1 VAL 26 5.460 -0.031 0.713 171 HG21 VAL 26 1HG2 VAL 26 4.649 3.178 -0.907 172 HG22 VAL 26 2HG2 VAL 26 3.614 2.385 0.281 173 HG23 VAL 26 3HG2 VAL 26 4.412 1.431 -0.971 174 H VAL 27 H VAL 27 8.266 4.161 1.629 175 HA VAL 27 HA VAL 27 9.080 2.535 3.922 176 HB VAL 27 HB VAL 27 10.541 2.715 1.868 177 HG11 VAL 27 1HG1 VAL 27 10.975 5.538 2.855 178 HG12 VAL 27 2HG1 VAL 27 10.154 5.074 1.364 179 HG13 VAL 27 3HG1 VAL 27 11.875 4.744 1.562 180 HG21 VAL 27 1HG2 VAL 27 11.788 3.698 4.444 181 HG22 VAL 27 2HG2 VAL 27 12.646 2.952 3.095 182 HG23 VAL 27 3HG2 VAL 27 11.476 2.014 4.023 183 H ASP 28 H ASP 28 9.921 3.460 5.810 184 HA ASP 28 HA ASP 28 9.610 6.347 6.185 185 HB2 ASP 28 1HB ASP 28 8.897 4.760 8.009 186 HB3 ASP 28 2HB ASP 28 10.569 4.231 8.152 187 HA PRO 29 HA PRO 29 13.922 5.855 4.761 188 HB2 PRO 29 2HB PRO 29 14.083 8.133 3.282 189 HB3 PRO 29 1HB PRO 29 13.324 6.657 2.695 190 HG2 PRO 29 2HG PRO 29 12.079 9.183 3.587 191 HG3 PRO 29 1HG PRO 29 11.467 7.955 2.462 192 HD2 PRO 29 2HD PRO 29 10.751 8.304 5.200 193 HD3 PRO 29 1HD PRO 29 10.262 6.990 4.118 194 H GLU 30 H GLU 30 12.447 8.111 6.758 195 HA GLU 30 HA GLU 30 14.627 9.828 7.352 196 HB2 GLU 30 1HB GLU 30 12.254 9.066 9.082 197 HB3 GLU 30 2HB GLU 30 13.293 10.467 9.313 198 HG2 GLU 30 1HG GLU 30 12.538 11.423 7.218 199 HG3 GLU 30 2HG GLU 30 11.566 9.991 6.885 200 H LEU 31 H LEU 31 13.225 7.104 9.199 201 HA LEU 31 HA LEU 31 15.751 6.753 10.631 202 HB2 LEU 31 1HB LEU 31 13.035 5.464 10.942 203 HB3 LEU 31 2HB LEU 31 14.445 4.945 11.845 204 HG LEU 31 HG LEU 31 14.606 7.243 12.825 205 HD11 LEU 31 1HD1 LEU 31 13.427 8.507 11.114 206 HD12 LEU 31 2HD1 LEU 31 12.659 8.724 12.686 207 HD13 LEU 31 3HD1 LEU 31 11.928 7.653 11.490 208 HD21 LEU 31 1HD2 LEU 31 13.562 5.441 14.066 209 HD22 LEU 31 2HD2 LEU 31 12.016 5.763 13.277 210 HD23 LEU 31 3HD2 LEU 31 12.717 6.958 14.369 211 H GLY 32 H GLY 32 13.983 5.423 7.997 212 HA2 GLY 32 1HA GLY 32 14.990 4.223 6.270 213 HA3 GLY 32 2HA GLY 32 16.325 3.831 7.335 214 H ILE 33 H ILE 33 12.792 3.216 7.523 215 HA ILE 33 HA ILE 33 13.394 0.325 7.408 216 HB ILE 33 HB ILE 33 11.230 1.524 9.163 217 HG12 ILE 33 1HG1 ILE 33 12.728 0.420 11.017 218 HG13 ILE 33 2HG1 ILE 33 14.018 0.594 9.830 219 HG21 ILE 33 1HG2 ILE 33 10.660 -0.674 8.299 220 HG22 ILE 33 2HG2 ILE 33 10.984 -0.762 10.031 221 HG23 ILE 33 3HG2 ILE 33 12.195 -1.325 8.879 222 HD11 ILE 33 1HD1 ILE 33 13.600 3.008 9.760 223 HD12 ILE 33 2HD1 ILE 33 14.011 2.444 11.379 224 HD13 ILE 33 3HD1 ILE 33 12.335 2.812 10.973 225 H ASN 34 H ASN 34 12.009 -0.882 6.157 226 HA ASN 34 HA ASN 34 9.977 0.595 4.612 227 HB2 ASN 34 1HB ASN 34 11.258 -2.093 4.025 228 HB3 ASN 34 2HB ASN 34 10.117 -1.252 2.987 229 HD21 ASN 34 1HD2 ASN 34 14.039 -0.227 3.059 230 HD22 ASN 34 2HD2 ASN 34 13.362 -1.302 4.232 231 H VAL 35 H VAL 35 7.864 0.144 4.921 232 HA VAL 35 HA VAL 35 6.884 -1.593 6.874 233 HB VAL 35 HB VAL 35 5.451 -0.641 4.374 234 HG11 VAL 35 1HG1 VAL 35 4.321 -1.672 6.983 235 HG12 VAL 35 2HG1 VAL 35 4.295 -2.522 5.438 236 HG13 VAL 35 3HG1 VAL 35 3.383 -1.024 5.635 237 HG21 VAL 35 1HG2 VAL 35 5.566 0.575 7.144 238 HG22 VAL 35 2HG2 VAL 35 4.570 1.155 5.807 239 HG23 VAL 35 3HG2 VAL 35 6.330 1.223 5.690 240 H VAL 36 H VAL 36 7.660 -2.102 3.517 241 HA VAL 36 HA VAL 36 6.459 -4.553 3.000 242 HB VAL 36 HB VAL 36 9.151 -3.588 1.993 243 HG11 VAL 36 1HG1 VAL 36 8.815 -5.955 1.530 244 HG12 VAL 36 2HG1 VAL 36 8.700 -5.019 0.040 245 HG13 VAL 36 3HG1 VAL 36 7.235 -5.613 0.821 246 HG21 VAL 36 1HG2 VAL 36 6.393 -3.162 0.829 247 HG22 VAL 36 2HG2 VAL 36 7.915 -2.665 0.088 248 HG23 VAL 36 3HG2 VAL 36 7.391 -1.933 1.605 249 H ASP 37 H ASP 37 9.315 -3.792 4.888 250 HA ASP 37 HA ASP 37 10.518 -6.344 4.896 251 HB2 ASP 37 1HB ASP 37 10.754 -3.899 6.599 252 HB3 ASP 37 2HB ASP 37 11.408 -5.405 7.233 253 H LEU 38 H LEU 38 7.756 -5.112 6.582 254 HA LEU 38 HA LEU 38 7.774 -7.014 8.717 255 HB2 LEU 38 1HB LEU 38 5.594 -5.295 7.529 256 HB3 LEU 38 2HB LEU 38 5.288 -6.406 8.847 257 HG LEU 38 HG LEU 38 5.564 -4.149 9.693 258 HD11 LEU 38 1HD1 LEU 38 7.923 -5.886 10.410 259 HD12 LEU 38 2HD1 LEU 38 6.305 -5.981 11.106 260 HD13 LEU 38 3HD1 LEU 38 7.291 -4.545 11.366 261 HD21 LEU 38 1HD2 LEU 38 8.324 -4.203 8.465 262 HD22 LEU 38 2HD2 LEU 38 7.684 -2.942 9.522 263 HD23 LEU 38 3HD2 LEU 38 6.962 -3.213 7.937 264 H GLY 39 H GLY 39 7.115 -7.224 5.409 265 HA2 GLY 39 1HA GLY 39 6.389 -8.910 4.044 266 HA3 GLY 39 2HA GLY 39 6.687 -9.992 5.396 267 H LEU 40 H LEU 40 4.469 -7.397 5.855 268 HA LEU 40 HA LEU 40 2.260 -9.284 6.065 269 HB2 LEU 40 1HB LEU 40 2.676 -7.620 7.857 270 HB3 LEU 40 2HB LEU 40 2.383 -6.327 6.709 271 HG LEU 40 HG LEU 40 0.050 -7.037 6.465 272 HD11 LEU 40 1HD1 LEU 40 0.724 -9.152 8.517 273 HD12 LEU 40 2HD1 LEU 40 0.330 -9.434 6.820 274 HD13 LEU 40 3HD1 LEU 40 -0.891 -8.778 7.910 275 HD21 LEU 40 1HD2 LEU 40 -0.733 -6.443 8.708 276 HD22 LEU 40 2HD2 LEU 40 0.603 -5.410 8.200 277 HD23 LEU 40 3HD2 LEU 40 0.886 -6.717 9.352 278 H VAL 41 H VAL 41 3.486 -6.808 4.008 279 HA VAL 41 HA VAL 41 1.166 -6.176 2.534 280 HB VAL 41 HB VAL 41 3.263 -4.841 2.479 281 HG11 VAL 41 1HG1 VAL 41 4.354 -7.075 0.758 282 HG12 VAL 41 2HG1 VAL 41 4.858 -6.711 2.409 283 HG13 VAL 41 3HG1 VAL 41 5.155 -5.545 1.119 284 HG21 VAL 41 1HG2 VAL 41 1.609 -4.513 0.722 285 HG22 VAL 41 2HG2 VAL 41 2.331 -5.808 -0.230 286 HG23 VAL 41 3HG2 VAL 41 3.237 -4.325 0.071 287 H TYR 42 H TYR 42 2.831 -9.057 2.819 288 HA TYR 42 HA TYR 42 2.592 -10.079 0.167 289 HB2 TYR 42 2HB TYR 42 4.175 -10.959 1.930 290 HB3 TYR 42 1HB TYR 42 2.784 -11.671 2.741 291 HD1 TYR 42 1HD TYR 42 1.940 -13.780 2.043 292 HD2 TYR 42 2HD TYR 42 4.709 -11.700 -0.438 293 HE1 TYR 42 1HE TYR 42 2.130 -15.761 0.599 294 HE2 TYR 42 2HE TYR 42 4.904 -13.676 -1.886 295 HH TYR 42 HH TYR 42 4.564 -16.171 -1.664 296 H GLY 43 H GLY 43 0.433 -9.562 2.753 297 HA2 GLY 43 1HA GLY 43 -1.611 -11.396 1.886 298 HA3 GLY 43 2HA GLY 43 -1.804 -10.072 3.031 299 H LEU 44 H LEU 44 -0.812 -10.261 -0.372 300 HA LEU 44 HA LEU 44 -2.648 -8.052 -0.970 301 HB2 LEU 44 1HB LEU 44 -0.335 -7.637 -1.568 302 HB3 LEU 44 2HB LEU 44 -0.247 -9.150 -2.449 303 HG LEU 44 HG LEU 44 -1.876 -8.262 -4.100 304 HD11 LEU 44 1HD1 LEU 44 -1.610 -5.687 -2.546 305 HD12 LEU 44 2HD1 LEU 44 -3.063 -6.678 -2.691 306 HD13 LEU 44 3HD1 LEU 44 -2.403 -5.869 -4.111 307 HD21 LEU 44 1HD2 LEU 44 0.545 -6.504 -3.701 308 HD22 LEU 44 2HD2 LEU 44 -0.344 -6.730 -5.207 309 HD23 LEU 44 3HD2 LEU 44 0.540 -8.078 -4.494 310 H ASP 45 H ASP 45 -4.499 -8.562 -1.865 311 HA ASP 45 HA ASP 45 -4.619 -10.777 -3.815 312 HB2 ASP 45 1HB ASP 45 -6.846 -9.918 -1.930 313 HB3 ASP 45 2HB ASP 45 -6.939 -11.212 -3.119 314 H VAL 46 H VAL 46 -4.736 -9.709 -5.746 315 HA VAL 46 HA VAL 46 -6.354 -7.260 -5.840 316 HB VAL 46 HB VAL 46 -5.299 -6.697 -7.911 317 HG11 VAL 46 1HG1 VAL 46 -3.212 -7.747 -5.998 318 HG12 VAL 46 2HG1 VAL 46 -4.017 -6.182 -5.901 319 HG13 VAL 46 3HG1 VAL 46 -2.945 -6.538 -7.256 320 HG21 VAL 46 1HG2 VAL 46 -5.218 -8.886 -8.949 321 HG22 VAL 46 2HG2 VAL 46 -3.956 -9.393 -7.829 322 HG23 VAL 46 3HG2 VAL 46 -3.636 -8.115 -9.000 323 H GLN 47 H GLN 47 -8.267 -7.216 -6.809 324 HA GLN 47 HA GLN 47 -9.101 -9.619 -8.302 325 HB2 GLN 47 1HB GLN 47 -11.380 -9.272 -7.361 326 HB3 GLN 47 2HB GLN 47 -10.175 -9.679 -6.149 327 HG2 GLN 47 1HG GLN 47 -10.033 -7.341 -5.475 328 HG3 GLN 47 2HG GLN 47 -11.203 -6.901 -6.720 329 HE21 GLN 47 1HE2 GLN 47 -13.541 -7.060 -4.125 330 HE22 GLN 47 2HE2 GLN 47 -12.604 -6.047 -5.164 331 H ASP 48 H ASP 48 -10.427 -9.355 -10.038 332 HA ASP 48 HA ASP 48 -10.281 -6.771 -11.337 333 HB2 ASP 48 1HB ASP 48 -11.019 -7.916 -13.314 334 HB3 ASP 48 2HB ASP 48 -9.844 -8.963 -12.524 335 H GLY 49 H GLY 49 -12.178 -5.857 -12.390 336 HA2 GLY 49 1HA GLY 49 -14.810 -6.684 -11.504 337 HA3 GLY 49 2HA GLY 49 -14.282 -5.114 -10.899 338 H ASP 50 H ASP 50 -16.504 -5.601 -12.663 339 HA ASP 50 HA ASP 50 -15.844 -5.047 -15.358 340 HB2 ASP 50 1HB ASP 50 -18.412 -4.495 -13.844 341 HB3 ASP 50 2HB ASP 50 -18.239 -4.390 -15.592 342 H GLU 51 H GLU 51 -15.950 -3.092 -12.564 343 HA GLU 51 HA GLU 51 -16.154 -0.586 -14.025 344 HB2 GLU 51 1HB GLU 51 -15.622 -1.050 -11.080 345 HB3 GLU 51 2HB GLU 51 -16.087 0.469 -11.838 346 HG2 GLU 51 1HG GLU 51 -17.775 -2.018 -11.584 347 HG3 GLU 51 2HG GLU 51 -17.986 -0.500 -10.714 348 H GLY 52 H GLY 52 -13.746 -2.665 -12.639 349 HA2 GLY 52 1HA GLY 52 -11.540 -1.800 -13.946 350 HA3 GLY 52 2HA GLY 52 -11.639 -0.697 -12.578 351 H THR 53 H THR 53 -9.423 -2.087 -12.574 352 HA THR 53 HA THR 53 -9.827 -4.513 -10.965 353 HB THR 53 HB THR 53 -7.276 -3.430 -12.193 354 HG1 THR 53 1HG THR 53 -9.349 -4.592 -13.354 355 HG21 THR 53 1HG2 THR 53 -6.871 -4.903 -10.266 356 HG22 THR 53 2HG2 THR 53 -6.390 -5.684 -11.772 357 HG23 THR 53 3HG2 THR 53 -7.904 -6.137 -10.987 358 H VAL 54 H VAL 54 -9.385 -4.570 -8.846 359 HA VAL 54 HA VAL 54 -8.144 -2.191 -7.615 360 HB VAL 54 HB VAL 54 -10.521 -2.156 -7.139 361 HG11 VAL 54 1HG1 VAL 54 -11.051 -4.499 -7.515 362 HG12 VAL 54 2HG1 VAL 54 -11.645 -3.980 -5.937 363 HG13 VAL 54 3HG1 VAL 54 -10.177 -4.952 -6.048 364 HG21 VAL 54 1HG2 VAL 54 -9.035 -1.437 -5.332 365 HG22 VAL 54 2HG2 VAL 54 -8.981 -3.084 -4.705 366 HG23 VAL 54 3HG2 VAL 54 -10.497 -2.184 -4.686 367 H ALA 55 H ALA 55 -6.603 -2.512 -6.105 368 HA ALA 55 HA ALA 55 -5.692 -5.292 -5.661 369 HB1 ALA 55 1HB ALA 55 -4.039 -3.718 -6.547 370 HB2 ALA 55 2HB ALA 55 -3.582 -4.244 -4.931 371 HB3 ALA 55 3HB ALA 55 -4.288 -2.645 -5.171 372 H LEU 56 H LEU 56 -6.215 -6.223 -3.744 373 HA LEU 56 HA LEU 56 -7.008 -4.537 -1.474 374 HB2 LEU 56 1HB LEU 56 -7.159 -7.550 -1.614 375 HB3 LEU 56 2HB LEU 56 -8.051 -6.470 -0.558 376 HG LEU 56 HG LEU 56 -8.448 -6.746 -3.544 377 HD11 LEU 56 1HD1 LEU 56 -9.244 -8.688 -2.295 378 HD12 LEU 56 2HD1 LEU 56 -10.583 -7.765 -2.975 379 HD13 LEU 56 3HD1 LEU 56 -10.206 -7.634 -1.256 380 HD21 LEU 56 1HD2 LEU 56 -9.954 -5.064 -1.530 381 HD22 LEU 56 2HD2 LEU 56 -10.395 -5.282 -3.224 382 HD23 LEU 56 3HD2 LEU 56 -8.889 -4.466 -2.807 383 H ILE 57 H ILE 57 -5.455 -4.038 -0.041 384 HA ILE 57 HA ILE 57 -3.140 -5.856 0.246 385 HB ILE 57 HB ILE 57 -3.240 -2.886 0.852 386 HG12 ILE 57 1HG1 ILE 57 -2.038 -4.301 -1.550 387 HG13 ILE 57 2HG1 ILE 57 -3.503 -3.325 -1.574 388 HG21 ILE 57 1HG2 ILE 57 -0.909 -4.807 0.694 389 HG22 ILE 57 2HG2 ILE 57 -1.578 -4.096 2.164 390 HG23 ILE 57 3HG2 ILE 57 -0.791 -3.068 0.966 391 HD11 ILE 57 1HD1 ILE 57 -2.190 -1.357 -0.947 392 HD12 ILE 57 2HD1 ILE 57 -1.618 -2.086 -2.446 393 HD13 ILE 57 3HD1 ILE 57 -0.726 -2.343 -0.949 394 H ASP 58 H ASP 58 -3.122 -6.950 2.118 395 HA ASP 58 HA ASP 58 -4.684 -6.064 4.393 396 HB2 ASP 58 1HB ASP 58 -2.859 -8.462 4.035 397 HB3 ASP 58 2HB ASP 58 -3.863 -8.165 5.454 398 H MET 59 H MET 59 -3.935 -4.751 5.942 399 HA MET 59 HA MET 59 -1.073 -4.759 6.604 400 HB2 MET 59 1HB MET 59 -2.676 -2.285 5.912 401 HB3 MET 59 2HB MET 59 -1.107 -2.243 6.700 402 HG2 MET 59 1HG MET 59 -0.098 -3.319 4.742 403 HG3 MET 59 2HG MET 59 -1.675 -3.353 3.955 404 HE1 MET 59 1HE MET 59 1.162 -1.056 5.407 405 HE2 MET 59 2HE MET 59 -0.268 -0.403 6.208 406 HE3 MET 59 3HE MET 59 0.574 0.553 4.990 407 H THR 60 H THR 60 -0.602 -3.629 8.647 408 HA THR 60 HA THR 60 -2.865 -3.378 10.474 409 HB THR 60 HB THR 60 -0.286 -4.901 10.914 410 HG1 THR 60 1HG THR 60 -2.629 -5.676 9.995 411 HG21 THR 60 1HG2 THR 60 -1.121 -5.355 13.166 412 HG22 THR 60 2HG2 THR 60 -2.501 -4.299 12.863 413 HG23 THR 60 3HG2 THR 60 -0.870 -3.631 12.895 414 H LEU 61 H LEU 61 -2.655 -1.644 11.858 415 HA LEU 61 HA LEU 61 -0.349 0.106 11.490 416 HB2 LEU 61 1HB LEU 61 -2.881 0.534 13.099 417 HB3 LEU 61 2HB LEU 61 -1.651 1.745 12.780 418 HG LEU 61 HG LEU 61 -3.412 0.440 10.694 419 HD11 LEU 61 1HD1 LEU 61 -4.643 1.974 12.146 420 HD12 LEU 61 2HD1 LEU 61 -4.488 2.613 10.510 421 HD13 LEU 61 3HD1 LEU 61 -3.468 3.245 11.803 422 HD21 LEU 61 1HD2 LEU 61 -1.360 2.644 10.422 423 HD22 LEU 61 2HD2 LEU 61 -2.461 2.106 9.154 424 HD23 LEU 61 3HD2 LEU 61 -1.231 1.008 9.776 425 H THR 62 H THR 62 0.937 0.844 13.219 426 HA THR 62 HA THR 62 2.216 -0.984 14.660 427 HB THR 62 HB THR 62 1.741 1.781 15.779 428 HG1 THR 62 1HG THR 62 3.916 1.641 14.206 429 HG21 THR 62 1HG2 THR 62 4.088 1.573 16.516 430 HG22 THR 62 2HG2 THR 62 4.139 -0.067 15.870 431 HG23 THR 62 3HG2 THR 62 3.070 0.317 17.219 432 H SER 63 H SER 63 -0.321 1.027 16.202 433 HA SER 63 HA SER 63 -0.706 -1.142 18.172 434 HB2 SER 63 1HB SER 63 -1.080 1.829 18.675 435 HB3 SER 63 2HB SER 63 -1.183 0.530 19.866 436 HG SER 63 HG SER 63 0.992 1.853 18.964 437 H ALA 64 H ALA 64 -2.019 -0.164 15.537 438 HA ALA 64 HA ALA 64 -4.066 -0.077 14.573 439 HB1 ALA 64 1HB ALA 64 -4.932 -1.508 17.085 440 HB2 ALA 64 2HB ALA 64 -4.286 -2.265 15.628 441 HB3 ALA 64 3HB ALA 64 -5.838 -1.427 15.573 442 H ALA 65 H ALA 65 -3.314 1.909 16.951 443 HA ALA 65 HA ALA 65 -5.966 3.204 17.035 444 HB1 ALA 65 1HB ALA 65 -5.333 4.166 19.190 445 HB2 ALA 65 2HB ALA 65 -3.772 3.349 19.112 446 HB3 ALA 65 3HB ALA 65 -5.255 2.406 19.246 447 H CYS 66 H CYS 66 -3.427 3.369 15.268 448 HA CYS 66 HA CYS 66 -2.669 6.167 15.664 449 HB2 CYS 66 2HB CYS 66 -0.827 4.600 15.385 450 HB3 CYS 66 1HB CYS 66 -1.522 4.000 13.882 451 HG CYS 66 HG CYS 66 0.593 6.447 14.329 452 HA PRO 67 HA PRO 67 -5.297 7.356 12.231 453 HB2 PRO 67 2HB PRO 67 -4.471 9.894 11.913 454 HB3 PRO 67 1HB PRO 67 -5.365 9.394 13.355 455 HG2 PRO 67 2HG PRO 67 -2.407 9.771 13.002 456 HG3 PRO 67 1HG PRO 67 -3.450 10.312 14.332 457 HD2 PRO 67 2HD PRO 67 -1.912 8.051 14.450 458 HD3 PRO 67 1HD PRO 67 -3.430 8.246 15.351 459 H LEU 68 H LEU 68 -2.417 6.203 11.856 460 HA LEU 68 HA LEU 68 -1.247 7.528 9.636 461 HB2 LEU 68 1HB LEU 68 -0.003 6.090 11.228 462 HB3 LEU 68 2HB LEU 68 -0.876 4.693 10.633 463 HG LEU 68 HG LEU 68 0.157 5.068 8.386 464 HD11 LEU 68 1HD1 LEU 68 2.104 6.531 8.210 465 HD12 LEU 68 2HD1 LEU 68 1.825 7.112 9.854 466 HD13 LEU 68 3HD1 LEU 68 0.644 7.445 8.586 467 HD21 LEU 68 1HD2 LEU 68 1.080 3.425 9.935 468 HD22 LEU 68 2HD2 LEU 68 2.083 4.671 10.680 469 HD23 LEU 68 3HD2 LEU 68 2.361 4.198 9.003 470 H THR 69 H THR 69 -3.936 5.551 9.950 471 HA THR 69 HA THR 69 -3.924 3.804 7.848 472 HB THR 69 HB THR 69 -5.640 3.846 9.584 473 HG1 THR 69 1HG THR 69 -6.690 4.053 6.931 474 HG21 THR 69 1HG2 THR 69 -7.515 5.383 9.539 475 HG22 THR 69 2HG2 THR 69 -6.828 6.226 8.152 476 HG23 THR 69 3HG2 THR 69 -6.005 6.281 9.712 477 H ASP 70 H ASP 70 -5.240 7.144 7.716 478 HA ASP 70 HA ASP 70 -5.916 7.020 4.978 479 HB2 ASP 70 1HB ASP 70 -6.945 8.682 6.423 480 HB3 ASP 70 2HB ASP 70 -5.378 9.417 6.759 481 H VAL 71 H VAL 71 -3.027 8.006 6.694 482 HA VAL 71 HA VAL 71 -1.701 9.300 4.582 483 HB VAL 71 HB VAL 71 -0.462 7.810 6.914 484 HG11 VAL 71 1HG1 VAL 71 1.177 8.255 5.179 485 HG12 VAL 71 2HG1 VAL 71 1.465 9.319 6.554 486 HG13 VAL 71 3HG1 VAL 71 0.683 9.947 5.103 487 HG21 VAL 71 1HG2 VAL 71 -2.048 9.497 7.678 488 HG22 VAL 71 2HG2 VAL 71 -1.266 10.714 6.670 489 HG23 VAL 71 3HG2 VAL 71 -0.394 10.000 8.025 490 H ILE 72 H ILE 72 -1.408 5.933 5.773 491 HA ILE 72 HA ILE 72 0.448 5.212 3.748 492 HB ILE 72 HB ILE 72 -0.032 2.830 4.444 493 HG12 ILE 72 1HG1 ILE 72 -1.195 2.820 6.828 494 HG13 ILE 72 2HG1 ILE 72 -2.028 4.236 6.202 495 HG21 ILE 72 1HG2 ILE 72 1.818 4.075 5.366 496 HG22 ILE 72 2HG2 ILE 72 1.092 3.074 6.623 497 HG23 ILE 72 3HG2 ILE 72 0.767 4.807 6.578 498 HD11 ILE 72 1HD1 ILE 72 -2.051 1.473 5.002 499 HD12 ILE 72 2HD1 ILE 72 -2.867 2.886 4.330 500 HD13 ILE 72 3HD1 ILE 72 -3.360 2.244 5.897 501 H GLU 73 H GLU 73 -3.063 4.974 4.002 502 HA GLU 73 HA GLU 73 -3.490 3.465 1.662 503 HB2 GLU 73 1HB GLU 73 -5.179 5.536 3.063 504 HB3 GLU 73 2HB GLU 73 -5.736 4.671 1.635 505 HG2 GLU 73 1HG GLU 73 -5.491 2.555 2.792 506 HG3 GLU 73 2HG GLU 73 -4.885 3.388 4.222 507 H ASP 74 H ASP 74 -3.255 6.968 2.171 508 HA ASP 74 HA ASP 74 -3.730 7.695 -0.506 509 HB2 ASP 74 1HB ASP 74 -3.930 9.370 1.205 510 HB3 ASP 74 2HB ASP 74 -2.256 9.145 1.703 511 H GLN 75 H GLN 75 -0.681 7.162 1.263 512 HA GLN 75 HA GLN 75 1.077 7.842 -0.803 513 HB2 GLN 75 1HB GLN 75 1.479 5.748 1.353 514 HB3 GLN 75 2HB GLN 75 2.751 6.452 0.366 515 HG2 GLN 75 1HG GLN 75 1.069 7.838 2.441 516 HG3 GLN 75 2HG GLN 75 2.793 7.488 2.512 517 HE21 GLN 75 1HE2 GLN 75 1.392 10.751 0.559 518 HE22 GLN 75 2HE2 GLN 75 0.331 9.535 1.176 519 H SER 76 H SER 76 -0.101 4.610 0.137 520 HA SER 76 HA SER 76 1.124 3.186 -1.940 521 HB2 SER 76 1HB SER 76 0.190 2.117 0.080 522 HB3 SER 76 2HB SER 76 -1.440 2.523 -0.453 523 HG SER 76 HG SER 76 0.210 0.486 -1.240 524 H ARG 77 H ARG 77 -2.270 4.314 -1.691 525 HA ARG 77 HA ARG 77 -3.122 3.503 -4.212 526 HB2 ARG 77 1HB ARG 77 -4.592 4.369 -2.385 527 HB3 ARG 77 2HB ARG 77 -4.021 5.993 -2.726 528 HG2 ARG 77 1HG ARG 77 -5.313 4.375 -4.896 529 HG3 ARG 77 2HG ARG 77 -6.306 5.176 -3.681 530 HD2 ARG 77 1HD ARG 77 -5.285 7.329 -4.269 531 HD3 ARG 77 2HD ARG 77 -4.295 6.529 -5.489 532 HE ARG 77 HE ARG 77 -6.507 5.896 -6.540 533 HH11 ARG 77 1HH1 ARG 77 -6.131 8.787 -4.596 534 HH12 ARG 77 2HH1 ARG 77 -7.397 9.653 -5.408 535 HH21 ARG 77 1HH2 ARG 77 -8.162 7.039 -7.639 536 HH22 ARG 77 2HH2 ARG 77 -8.550 8.659 -7.149 537 H SER 78 H SER 78 -1.464 6.471 -3.256 538 HA SER 78 HA SER 78 -1.864 7.947 -5.577 539 HB2 SER 78 1HB SER 78 -0.878 8.731 -3.348 540 HB3 SER 78 2HB SER 78 0.662 8.097 -3.923 541 HG SER 78 HG SER 78 -0.709 10.363 -4.661 542 H ALA 79 H ALA 79 0.928 5.837 -4.748 543 HA ALA 79 HA ALA 79 2.169 6.281 -7.295 544 HB1 ALA 79 1HB ALA 79 3.812 4.636 -6.567 545 HB2 ALA 79 2HB ALA 79 2.774 4.169 -5.220 546 HB3 ALA 79 3HB ALA 79 3.476 5.785 -5.273 547 H LEU 80 H LEU 80 0.485 3.485 -5.823 548 HA LEU 80 HA LEU 80 0.947 1.713 -7.957 549 HB2 LEU 80 1HB LEU 80 -1.052 1.751 -5.715 550 HB3 LEU 80 2HB LEU 80 -1.154 0.523 -6.960 551 HG LEU 80 HG LEU 80 0.022 -0.312 -4.981 552 HD11 LEU 80 1HD1 LEU 80 1.995 -1.208 -6.085 553 HD12 LEU 80 2HD1 LEU 80 1.869 0.020 -7.345 554 HD13 LEU 80 3HD1 LEU 80 0.614 -1.209 -7.181 555 HD21 LEU 80 1HD2 LEU 80 2.230 0.556 -4.367 556 HD22 LEU 80 2HD2 LEU 80 0.975 1.775 -4.158 557 HD23 LEU 80 3HD2 LEU 80 2.053 1.850 -5.553 558 H VAL 81 H VAL 81 -1.630 4.007 -7.375 559 HA VAL 81 HA VAL 81 -3.051 3.247 -9.789 560 HB VAL 81 HB VAL 81 -3.526 5.569 -7.899 561 HG11 VAL 81 1HG1 VAL 81 -4.414 6.034 -10.122 562 HG12 VAL 81 2HG1 VAL 81 -5.726 5.737 -8.982 563 HG13 VAL 81 3HG1 VAL 81 -5.254 4.483 -10.130 564 HG21 VAL 81 1HG2 VAL 81 -4.909 2.885 -8.112 565 HG22 VAL 81 2HG2 VAL 81 -5.412 4.213 -7.067 566 HG23 VAL 81 3HG2 VAL 81 -3.861 3.418 -6.797 567 H GLY 82 H GLY 82 -0.546 5.431 -8.809 568 HA2 GLY 82 1HA GLY 82 -1.024 7.534 -10.670 569 HA3 GLY 82 2HA GLY 82 0.481 7.224 -9.814 570 H SER 83 H SER 83 1.257 4.787 -10.711 571 HA SER 83 HA SER 83 1.985 5.297 -13.457 572 HB2 SER 83 1HB SER 83 2.501 2.802 -11.810 573 HB3 SER 83 2HB SER 83 3.353 3.305 -13.272 574 HG SER 83 HG SER 83 3.822 3.980 -10.715 575 H GLY 84 H GLY 84 -0.409 3.496 -11.742 576 HA2 GLY 84 1HA GLY 84 -2.450 2.838 -12.667 577 HA3 GLY 84 2HA GLY 84 -1.737 2.918 -14.268 578 H LEU 85 H LEU 85 -0.716 1.102 -11.362 579 HA LEU 85 HA LEU 85 -0.659 -1.358 -12.886 580 HB2 LEU 85 1HB LEU 85 -0.310 -0.909 -9.909 581 HB3 LEU 85 2HB LEU 85 -0.038 -2.427 -10.743 582 HG LEU 85 HG LEU 85 1.582 0.110 -10.964 583 HD11 LEU 85 1HD1 LEU 85 2.100 -1.308 -9.056 584 HD12 LEU 85 2HD1 LEU 85 3.415 -1.333 -10.228 585 HD13 LEU 85 3HD1 LEU 85 2.303 -2.697 -10.124 586 HD21 LEU 85 1HD2 LEU 85 2.957 -1.040 -12.634 587 HD22 LEU 85 2HD2 LEU 85 1.311 -0.794 -13.211 588 HD23 LEU 85 3HD2 LEU 85 1.817 -2.387 -12.650 589 H VAL 86 H VAL 86 -2.672 0.212 -10.507 590 HA VAL 86 HA VAL 86 -4.938 -1.439 -11.330 591 HB VAL 86 HB VAL 86 -5.754 -1.583 -8.957 592 HG11 VAL 86 1HG1 VAL 86 -4.388 -3.504 -8.330 593 HG12 VAL 86 2HG1 VAL 86 -3.144 -3.017 -9.475 594 HG13 VAL 86 3HG1 VAL 86 -4.728 -3.523 -10.061 595 HG21 VAL 86 1HG2 VAL 86 -2.925 -0.741 -8.286 596 HG22 VAL 86 2HG2 VAL 86 -4.124 -1.325 -7.129 597 HG23 VAL 86 3HG2 VAL 86 -4.391 0.193 -7.986 598 H ASP 87 H ASP 87 -7.022 -0.395 -10.699 599 HA ASP 87 HA ASP 87 -6.781 2.456 -11.172 600 HB2 ASP 87 1HB ASP 87 -8.441 1.028 -12.391 601 HB3 ASP 87 2HB ASP 87 -9.300 0.795 -10.871 602 H ASP 88 H ASP 88 -7.639 0.310 -8.568 603 HA ASP 88 HA ASP 88 -7.601 2.508 -6.677 604 HB2 ASP 88 1HB ASP 88 -9.974 2.423 -7.380 605 HB3 ASP 88 2HB ASP 88 -10.039 0.718 -6.947 606 H ILE 89 H ILE 89 -7.752 1.645 -4.381 607 HA ILE 89 HA ILE 89 -6.934 -1.168 -4.161 608 HB ILE 89 HB ILE 89 -5.124 -0.689 -2.630 609 HG12 ILE 89 1HG1 ILE 89 -5.578 2.266 -3.143 610 HG13 ILE 89 2HG1 ILE 89 -6.123 1.424 -1.695 611 HG21 ILE 89 1HG2 ILE 89 -4.556 -0.778 -5.003 612 HG22 ILE 89 2HG2 ILE 89 -3.501 0.342 -4.142 613 HG23 ILE 89 3HG2 ILE 89 -4.816 0.961 -5.142 614 HD11 ILE 89 1HD1 ILE 89 -3.809 0.883 -1.140 615 HD12 ILE 89 2HD1 ILE 89 -4.060 2.623 -1.289 616 HD13 ILE 89 3HD1 ILE 89 -3.264 1.733 -2.588 617 H ARG 90 H ARG 90 -7.261 -2.085 -2.109 618 HA ARG 90 HA ARG 90 -8.759 -0.487 -0.147 619 HB2 ARG 90 1HB ARG 90 -10.427 -1.783 -1.307 620 HB3 ARG 90 2HB ARG 90 -9.459 -3.227 -1.152 621 HG2 ARG 90 1HG ARG 90 -11.404 -3.107 0.403 622 HG3 ARG 90 2HG ARG 90 -9.847 -3.365 1.192 623 HD2 ARG 90 1HD ARG 90 -9.771 -1.208 2.026 624 HD3 ARG 90 2HD ARG 90 -10.903 -0.601 0.823 625 HE ARG 90 HE ARG 90 -12.696 -1.593 2.063 626 HH11 ARG 90 1HH1 ARG 90 -9.630 -1.640 3.779 627 HH12 ARG 90 2HH1 ARG 90 -10.376 -1.859 5.328 628 HH21 ARG 90 1HH2 ARG 90 -13.653 -1.808 4.112 629 HH22 ARG 90 2HH2 ARG 90 -12.644 -1.940 5.521 630 H ILE 91 H ILE 91 -7.420 -0.411 1.533 631 HA ILE 91 HA ILE 91 -5.695 -2.675 2.147 632 HB ILE 91 HB ILE 91 -5.862 0.108 3.321 633 HG12 ILE 91 1HG1 ILE 91 -3.804 -1.250 1.551 634 HG13 ILE 91 2HG1 ILE 91 -4.921 0.018 1.061 635 HG21 ILE 91 1HG2 ILE 91 -5.186 -1.469 5.059 636 HG22 ILE 91 2HG2 ILE 91 -3.834 -0.443 4.584 637 HG23 ILE 91 3HG2 ILE 91 -3.923 -2.108 4.005 638 HD11 ILE 91 1HD1 ILE 91 -2.679 0.306 3.052 639 HD12 ILE 91 2HD1 ILE 91 -3.800 1.581 2.568 640 HD13 ILE 91 3HD1 ILE 91 -2.686 0.891 1.388 641 H ASN 92 H ASN 92 -6.248 -4.168 3.589 642 HA ASN 92 HA ASN 92 -8.611 -3.792 5.258 643 HB2 ASN 92 1HB ASN 92 -8.185 -5.923 3.944 644 HB3 ASN 92 2HB ASN 92 -6.837 -6.247 5.022 645 HD21 ASN 92 1HD2 ASN 92 -9.459 -6.491 7.779 646 HD22 ASN 92 2HD2 ASN 92 -8.314 -5.259 7.424 647 H TRP 93 H TRP 93 -8.422 -3.025 7.242 648 HA TRP 93 HA TRP 93 -5.778 -2.825 8.465 649 HB2 TRP 93 2HB TRP 93 -8.392 -1.731 9.526 650 HB3 TRP 93 1HB TRP 93 -6.763 -1.236 9.973 651 HD1 TRP 93 1HD TRP 93 -5.335 0.007 7.868 652 HE1 TRP 93 1HE TRP 93 -6.243 1.688 6.141 653 HE3 TRP 93 3HE TRP 93 -10.332 -1.032 8.251 654 HZ2 TRP 93 2HZ TRP 93 -8.721 2.464 5.086 655 HZ3 TRP 93 3HZ TRP 93 -11.909 0.227 6.837 656 HH2 TRP 93 2HH TRP 93 -11.117 1.940 5.285 657 H VAL 94 H VAL 94 -5.119 -4.474 9.707 658 HA VAL 94 HA VAL 94 -7.053 -6.170 11.063 659 HB VAL 94 HB VAL 94 -4.061 -6.319 11.384 660 HG11 VAL 94 1HG1 VAL 94 -5.335 -7.667 12.936 661 HG12 VAL 94 2HG1 VAL 94 -4.500 -8.706 11.780 662 HG13 VAL 94 3HG1 VAL 94 -6.229 -8.403 11.605 663 HG21 VAL 94 1HG2 VAL 94 -4.006 -7.916 9.509 664 HG22 VAL 94 2HG2 VAL 94 -4.465 -6.294 8.995 665 HG23 VAL 94 3HG2 VAL 94 -5.697 -7.547 9.164 666 H TRP 95 H TRP 95 -7.778 -5.716 13.017 667 HA TRP 95 HA TRP 95 -6.122 -4.168 14.897 668 HB2 TRP 95 2HB TRP 95 -9.104 -4.685 15.083 669 HB3 TRP 95 1HB TRP 95 -8.160 -3.494 15.978 670 HD1 TRP 95 1HD TRP 95 -6.955 -1.567 14.242 671 HE1 TRP 95 1HE TRP 95 -8.101 -0.306 12.313 672 HE3 TRP 95 3HE TRP 95 -10.842 -4.765 13.399 673 HZ2 TRP 95 2HZ TRP 95 -10.355 -0.636 10.644 674 HZ3 TRP 95 3HZ TRP 95 -12.447 -4.228 11.611 675 HH2 TRP 95 2HH TRP 95 -12.208 -2.205 10.262 676 H ASN 96 H ASN 96 -7.826 -7.085 14.287 677 HA ASN 96 HA ASN 96 -6.662 -8.723 16.189 678 HB2 ASN 96 1HB ASN 96 -9.149 -7.362 17.162 679 HB3 ASN 96 2HB ASN 96 -8.953 -9.067 17.537 680 HD21 ASN 96 1HD2 ASN 96 -5.756 -8.086 19.294 681 HD22 ASN 96 2HD2 ASN 96 -6.061 -8.932 17.818 682 HA PRO 97 HA PRO 97 -10.493 -10.819 13.982 683 HB2 PRO 97 2HB PRO 97 -11.349 -8.685 12.114 684 HB3 PRO 97 1HB PRO 97 -12.331 -9.764 13.112 685 HG2 PRO 97 2HG PRO 97 -12.086 -7.164 13.709 686 HG3 PRO 97 1HG PRO 97 -12.168 -8.400 14.980 687 HD2 PRO 97 2HD PRO 97 -9.766 -6.968 13.887 688 HD3 PRO 97 1HD PRO 97 -10.184 -7.345 15.571 689 HA PRO 98 HA PRO 98 -7.806 -11.588 10.520 690 HB2 PRO 98 2HB PRO 98 -9.145 -13.548 9.260 691 HB3 PRO 98 1HB PRO 98 -8.425 -13.805 10.855 692 HG2 PRO 98 2HG PRO 98 -11.278 -13.195 10.143 693 HG3 PRO 98 1HG PRO 98 -10.644 -14.397 11.286 694 HD2 PRO 98 2HD PRO 98 -11.592 -11.951 12.056 695 HD3 PRO 98 1HD PRO 98 -10.339 -12.833 12.954 696 H TRP 99 H TRP 99 -8.150 -12.057 8.003 697 HA TRP 99 HA TRP 99 -9.284 -9.620 6.965 698 HB2 TRP 99 2HB TRP 99 -8.003 -11.905 5.443 699 HB3 TRP 99 1HB TRP 99 -8.235 -10.251 4.881 700 HD1 TRP 99 1HD TRP 99 -6.991 -8.441 6.925 701 HE1 TRP 99 1HE TRP 99 -4.523 -8.582 7.629 702 HE3 TRP 99 3HE TRP 99 -6.005 -13.253 5.499 703 HZ2 TRP 99 2HZ TRP 99 -2.436 -10.469 7.595 704 HZ3 TRP 99 3HZ TRP 99 -3.746 -14.148 5.866 705 HH2 TRP 99 2HH TRP 99 -1.994 -12.784 6.890 706 H GLY 100 H GLY 100 -10.975 -9.446 5.483 707 HA2 GLY 100 1HA GLY 100 -12.374 -11.590 4.320 708 HA3 GLY 100 2HA GLY 100 -13.148 -11.198 5.849 709 HA PRO 101 HA PRO 101 -15.613 -8.424 3.405 710 HB2 PRO 101 2HB PRO 101 -16.637 -6.921 5.477 711 HB3 PRO 101 1HB PRO 101 -17.254 -8.506 4.999 712 HG2 PRO 101 2HG PRO 101 -15.362 -7.801 7.215 713 HG3 PRO 101 1HG PRO 101 -16.723 -8.939 7.223 714 HD2 PRO 101 2HD PRO 101 -14.186 -9.794 6.992 715 HD3 PRO 101 1HD PRO 101 -15.516 -10.589 6.121 716 H ASP 102 H ASP 102 -13.409 -7.231 5.879 717 HA ASP 102 HA ASP 102 -13.433 -4.520 5.036 718 HB2 ASP 102 1HB ASP 102 -12.677 -5.464 7.317 719 HB3 ASP 102 2HB ASP 102 -11.137 -5.791 6.529 720 H LYS 103 H LYS 103 -12.215 -7.225 3.513 721 HA LYS 103 HA LYS 103 -10.024 -5.880 2.187 722 HB2 LYS 103 1HB LYS 103 -11.393 -8.509 1.543 723 HB3 LYS 103 2HB LYS 103 -9.957 -7.897 0.731 724 HG2 LYS 103 1HG LYS 103 -8.716 -7.998 2.849 725 HG3 LYS 103 2HG LYS 103 -10.159 -8.608 3.660 726 HD2 LYS 103 1HD LYS 103 -8.794 -10.498 3.190 727 HD3 LYS 103 2HD LYS 103 -10.127 -10.544 2.037 728 HE2 LYS 103 1HE LYS 103 -8.157 -11.070 0.822 729 HE3 LYS 103 2HE LYS 103 -8.586 -9.418 0.381 730 HZ1 LYS 103 1HZ LYS 103 -6.204 -9.687 0.795 731 HZ2 LYS 103 2HZ LYS 103 -6.517 -10.174 2.381 732 HZ3 LYS 103 3HZ LYS 103 -6.893 -8.603 1.899 733 H ILE 104 H ILE 104 -13.214 -5.313 2.068 734 HA ILE 104 HA ILE 104 -13.125 -4.596 -0.805 735 HB ILE 104 HB ILE 104 -15.584 -5.187 0.871 736 HG12 ILE 104 1HG1 ILE 104 -14.332 -6.770 -1.396 737 HG13 ILE 104 2HG1 ILE 104 -14.287 -7.215 0.306 738 HG21 ILE 104 1HG2 ILE 104 -16.019 -3.469 -0.809 739 HG22 ILE 104 2HG2 ILE 104 -16.829 -4.973 -1.242 740 HG23 ILE 104 3HG2 ILE 104 -15.341 -4.504 -2.066 741 HD11 ILE 104 1HD1 ILE 104 -16.714 -7.461 0.306 742 HD12 ILE 104 2HD1 ILE 104 -15.954 -8.494 -0.904 743 HD13 ILE 104 3HD1 ILE 104 -16.761 -7.007 -1.399 744 H THR 105 H THR 105 -13.214 -2.433 -1.243 745 HA THR 105 HA THR 105 -13.135 -0.444 0.674 746 HB THR 105 HB THR 105 -13.947 1.099 -1.230 747 HG1 THR 105 1HG THR 105 -13.643 -0.137 -3.323 748 HG21 THR 105 1HG2 THR 105 -11.541 -0.672 -1.703 749 HG22 THR 105 2HG2 THR 105 -11.574 0.791 -0.719 750 HG23 THR 105 3HG2 THR 105 -11.831 0.894 -2.461 751 H GLU 106 H GLU 106 -14.632 1.107 1.405 752 HA GLU 106 HA GLU 106 -17.192 0.020 2.046 753 HB2 GLU 106 1HB GLU 106 -15.738 1.606 3.462 754 HB3 GLU 106 2HB GLU 106 -16.364 2.895 2.444 755 HG2 GLU 106 1HG GLU 106 -17.669 2.821 4.436 756 HG3 GLU 106 2HG GLU 106 -18.669 2.231 3.109 757 H ASP 107 H ASP 107 -15.999 2.541 -0.099 758 HA ASP 107 HA ASP 107 -18.417 3.644 -0.941 759 HB2 ASP 107 1HB ASP 107 -15.832 3.292 -2.488 760 HB3 ASP 107 2HB ASP 107 -17.172 4.306 -3.010 761 H GLY 108 H GLY 108 -16.593 0.901 -2.257 762 HA2 GLY 108 1HA GLY 108 -18.328 0.333 -4.406 763 HA3 GLY 108 2HA GLY 108 -17.216 -0.807 -3.660 764 H ARG 109 H ARG 109 -18.181 -0.960 -1.116 765 HA ARG 109 HA ARG 109 -20.253 -2.855 -1.405 766 HB2 ARG 109 1HB ARG 109 -18.468 -2.832 0.364 767 HB3 ARG 109 2HB ARG 109 -19.300 -1.494 1.133 768 HG2 ARG 109 1HG ARG 109 -20.649 -4.145 0.680 769 HG3 ARG 109 2HG ARG 109 -19.638 -3.843 2.091 770 HD2 ARG 109 1HD ARG 109 -22.169 -2.392 1.308 771 HD3 ARG 109 2HD ARG 109 -21.935 -3.464 2.688 772 HE ARG 109 HE ARG 109 -20.088 -1.422 2.979 773 HH11 ARG 109 1HH1 ARG 109 -23.582 -1.724 2.870 774 HH12 ARG 109 2HH1 ARG 109 -23.853 -0.302 3.828 775 HH21 ARG 109 1HH2 ARG 109 -20.448 0.424 4.230 776 HH22 ARG 109 2HH2 ARG 109 -22.068 0.922 4.602 777 H GLU 110 H GLU 110 -20.240 0.535 -0.474 778 HA GLU 110 HA GLU 110 -22.981 0.495 0.432 779 HB2 GLU 110 1HB GLU 110 -21.289 1.909 1.530 780 HB3 GLU 110 2HB GLU 110 -21.105 2.829 0.042 781 HG2 GLU 110 1HG GLU 110 -23.394 3.606 0.198 782 HG3 GLU 110 2HG GLU 110 -23.667 2.606 1.622 783 H GLN 111 H GLN 111 -21.250 1.632 -2.431 784 HA GLN 111 HA GLN 111 -23.734 2.906 -3.360 785 HB2 GLN 111 1HB GLN 111 -20.912 3.340 -4.350 786 HB3 GLN 111 2HB GLN 111 -22.335 4.287 -4.770 787 HG2 GLN 111 1HG GLN 111 -22.539 4.881 -2.332 788 HG3 GLN 111 2HG GLN 111 -20.969 4.115 -2.099 789 HE21 GLN 111 1HE2 GLN 111 -21.232 7.760 -3.889 790 HE22 GLN 111 2HE2 GLN 111 -22.638 6.789 -3.611 791 H LEU 112 H LEU 112 -21.449 0.419 -4.187 792 HA LEU 112 HA LEU 112 -21.195 -0.969 -5.957 793 HB2 LEU 112 1HB LEU 112 -24.195 -0.589 -6.067 794 HB3 LEU 112 2HB LEU 112 -23.336 -1.753 -7.054 795 HG LEU 112 HG LEU 112 -24.310 -2.912 -5.197 796 HD11 LEU 112 1HD1 LEU 112 -22.359 -3.937 -4.164 797 HD12 LEU 112 2HD1 LEU 112 -21.349 -2.598 -4.710 798 HD13 LEU 112 3HD1 LEU 112 -22.097 -3.676 -5.890 799 HD21 LEU 112 1HD2 LEU 112 -22.868 -0.970 -3.389 800 HD22 LEU 112 2HD2 LEU 112 -23.799 -2.374 -2.866 801 HD23 LEU 112 3HD2 LEU 112 -24.609 -1.033 -3.674 802 H ARG 113 H ARG 113 -23.890 0.370 -7.713 803 HA ARG 113 HA ARG 113 -22.252 0.962 -9.970 804 HB2 ARG 113 1HB ARG 113 -24.583 0.179 -10.188 805 HB3 ARG 113 2HB ARG 113 -25.153 1.669 -9.446 806 HG2 ARG 113 1HG ARG 113 -24.219 2.953 -11.324 807 HG3 ARG 113 2HG ARG 113 -23.675 1.448 -12.068 808 HD2 ARG 113 1HD ARG 113 -25.746 2.158 -13.092 809 HD3 ARG 113 2HD ARG 113 -26.015 0.677 -12.173 810 HE ARG 113 HE ARG 113 -26.598 2.933 -10.566 811 HH11 ARG 113 1HH1 ARG 113 -27.878 1.108 -13.259 812 HH12 ARG 113 2HH1 ARG 113 -29.527 1.540 -12.942 813 HH21 ARG 113 1HH2 ARG 113 -28.767 3.512 -10.140 814 HH22 ARG 113 2HH2 ARG 113 -30.033 2.919 -11.170 815 H ALA 114 H ALA 114 -23.745 2.863 -7.427 816 HA ALA 114 HA ALA 114 -23.482 5.411 -8.617 817 HB1 ALA 114 1HB ALA 114 -23.948 6.299 -6.398 818 HB2 ALA 114 2HB ALA 114 -23.639 4.716 -5.683 819 HB3 ALA 114 3HB ALA 114 -25.016 4.943 -6.763 820 H LEU 115 H LEU 115 -21.087 3.349 -7.505 821 HA LEU 115 HA LEU 115 -19.229 5.267 -6.490 822 HB2 LEU 115 1HB LEU 115 -19.043 2.898 -5.929 823 HB3 LEU 115 2HB LEU 115 -18.817 2.491 -7.619 824 HG LEU 115 HG LEU 115 -16.657 3.672 -7.631 825 HD11 LEU 115 1HD1 LEU 115 -15.676 4.491 -5.542 826 HD12 LEU 115 2HD1 LEU 115 -17.185 4.150 -4.696 827 HD13 LEU 115 3HD1 LEU 115 -17.140 5.378 -5.960 828 HD21 LEU 115 1HD2 LEU 115 -16.893 1.677 -5.372 829 HD22 LEU 115 2HD2 LEU 115 -15.411 2.111 -6.226 830 HD23 LEU 115 3HD2 LEU 115 -16.713 1.286 -7.085 831 H GLY 116 H GLY 116 -20.135 4.106 -9.638 832 HA2 GLY 116 1HA GLY 116 -17.816 5.206 -10.981 833 HA3 GLY 116 2HA GLY 116 -19.196 4.426 -11.735 834 H PHE 117 H PHE 117 -17.621 7.248 -11.570 835 HA PHE 117 HA PHE 117 -19.665 9.175 -11.269 836 HB2 PHE 117 2HB PHE 117 -17.329 9.815 -11.103 837 HB3 PHE 117 1HB PHE 117 -17.022 9.282 -12.752 838 HD1 PHE 117 1HD PHE 117 -17.228 10.789 -14.538 839 HD2 PHE 117 2HD PHE 117 -18.955 11.762 -10.765 840 HE1 PHE 117 1HE PHE 117 -17.723 13.055 -15.352 841 HE2 PHE 117 2HE PHE 117 -19.452 14.032 -11.578 842 HZ PHE 117 HZ PHE 117 -18.838 14.680 -13.874 843 H THR 118 H THR 118 -21.308 9.656 -12.578 844 HA THR 118 HA THR 118 -21.754 8.375 -15.051 845 HB THR 118 HB THR 118 -23.100 10.915 -14.089 846 HG1 THR 118 1HG THR 118 -23.886 8.228 -13.529 847 HG21 THR 118 1HG2 THR 118 -23.637 10.287 -16.398 848 HG22 THR 118 2HG2 THR 118 -25.031 10.040 -15.346 849 HG23 THR 118 3HG2 THR 118 -24.064 8.659 -15.867 850 H VAL 119 H VAL 119 -19.939 8.772 -16.339 851 HA VAL 119 HA VAL 119 -18.883 11.320 -16.889 852 HB VAL 119 HB VAL 119 -17.761 10.229 -18.837 853 HG11 VAL 119 1HG1 VAL 119 -16.360 8.729 -17.487 854 HG12 VAL 119 2HG1 VAL 119 -17.578 8.745 -16.209 855 HG13 VAL 119 3HG1 VAL 119 -16.721 10.229 -16.631 856 HG21 VAL 119 1HG2 VAL 119 -19.503 8.612 -19.435 857 HG22 VAL 119 2HG2 VAL 119 -19.241 7.754 -17.917 858 HG23 VAL 119 3HG2 VAL 119 -17.966 7.804 -19.134 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 16.529 -9.316 -3.095 2 H2 GLY 1 2H GLY 1 17.782 -8.332 -2.537 3 H3 GLY 1 3H GLY 1 17.320 -8.274 -4.166 4 HA2 GLY 1 1HA GLY 1 16.461 -6.356 -3.024 5 HA3 GLY 1 2HA GLY 1 15.153 -7.407 -3.549 6 HA PRO 2 HA PRO 2 14.610 -6.481 0.994 7 HB2 PRO 2 2HB PRO 2 11.853 -5.786 0.285 8 HB3 PRO 2 1HB PRO 2 13.084 -4.793 1.068 9 HG2 PRO 2 2HG PRO 2 12.217 -4.315 -1.455 10 HG3 PRO 2 1HG PRO 2 13.871 -3.953 -0.928 11 HD2 PRO 2 2HD PRO 2 12.854 -6.310 -2.492 12 HD3 PRO 2 1HD PRO 2 14.320 -5.334 -2.749 13 H GLY 3 H GLY 3 13.484 -8.688 -1.223 14 HA2 GLY 3 1HA GLY 3 12.900 -10.916 -0.461 15 HA3 GLY 3 2HA GLY 3 11.961 -10.174 0.831 16 H SER 4 H SER 4 12.095 -10.886 -2.587 17 HA SER 4 HA SER 4 9.626 -9.598 -3.238 18 HB2 SER 4 1HB SER 4 9.941 -10.879 -5.437 19 HB3 SER 4 2HB SER 4 11.203 -9.730 -4.999 20 HG SER 4 HG SER 4 11.578 -12.305 -4.055 21 H MET 5 H MET 5 8.624 -10.810 -1.310 22 HA MET 5 HA MET 5 7.439 -13.365 -2.148 23 HB2 MET 5 1HB MET 5 7.236 -11.854 0.475 24 HB3 MET 5 2HB MET 5 6.480 -13.405 0.148 25 HG2 MET 5 1HG MET 5 9.457 -12.972 0.033 26 HG3 MET 5 2HG MET 5 8.606 -13.461 1.494 27 HE1 MET 5 1HE MET 5 9.495 -16.076 -2.186 28 HE2 MET 5 2HE MET 5 10.284 -14.560 -1.753 29 HE3 MET 5 3HE MET 5 8.641 -14.547 -2.389 30 H SER 6 H SER 6 6.943 -10.120 -2.404 31 HA SER 6 HA SER 6 4.316 -10.438 -3.475 32 HB2 SER 6 1HB SER 6 3.780 -10.177 -1.050 33 HB3 SER 6 2HB SER 6 4.638 -8.637 -1.044 34 HG SER 6 HG SER 6 2.273 -8.570 -1.352 35 H GLU 7 H GLU 7 3.535 -7.925 -3.821 36 HA GLU 7 HA GLU 7 3.780 -6.232 -5.278 37 HB2 GLU 7 1HB GLU 7 5.020 -5.210 -3.431 38 HB3 GLU 7 2HB GLU 7 6.509 -5.962 -3.989 39 HG2 GLU 7 1HG GLU 7 6.287 -3.553 -4.601 40 HG3 GLU 7 2HG GLU 7 6.530 -4.629 -5.977 41 H THR 8 H THR 8 3.678 -7.111 -7.208 42 HA THR 8 HA THR 8 6.118 -7.320 -8.769 43 HB THR 8 HB THR 8 5.233 -9.492 -9.823 44 HG1 THR 8 1HG THR 8 3.820 -9.621 -7.344 45 HG21 THR 8 1HG2 THR 8 6.260 -10.942 -8.109 46 HG22 THR 8 2HG2 THR 8 6.246 -9.593 -6.973 47 HG23 THR 8 3HG2 THR 8 7.236 -9.509 -8.431 48 H SER 9 H SER 9 3.988 -5.442 -8.592 49 HA SER 9 HA SER 9 1.941 -5.935 -10.504 50 HB2 SER 9 1HB SER 9 1.679 -4.345 -8.634 51 HB3 SER 9 2HB SER 9 2.924 -3.312 -9.335 52 HG SER 9 HG SER 9 1.501 -2.532 -10.645 53 H ALA 10 H ALA 10 2.022 -5.824 -12.636 54 HA ALA 10 HA ALA 10 2.530 -5.240 -14.760 55 HB1 ALA 10 1HB ALA 10 4.083 -2.952 -13.543 56 HB2 ALA 10 2HB ALA 10 2.371 -2.920 -13.969 57 HB3 ALA 10 3HB ALA 10 3.591 -3.104 -15.233 58 HA PRO 11 HA PRO 11 6.380 -7.093 -16.088 59 HB2 PRO 11 2HB PRO 11 6.825 -4.566 -17.638 60 HB3 PRO 11 1HB PRO 11 6.954 -6.247 -18.172 61 HG2 PRO 11 2HG PRO 11 4.827 -4.758 -18.805 62 HG3 PRO 11 1HG PRO 11 4.659 -6.481 -18.420 63 HD2 PRO 11 2HD PRO 11 3.929 -4.092 -16.809 64 HD3 PRO 11 1HD PRO 11 3.204 -5.712 -16.823 65 H ALA 12 H ALA 12 8.635 -6.928 -15.756 66 HA ALA 12 HA ALA 12 9.393 -5.704 -13.386 67 HB1 ALA 12 1HB ALA 12 11.684 -6.358 -13.960 68 HB2 ALA 12 2HB ALA 12 11.177 -6.674 -15.621 69 HB3 ALA 12 3HB ALA 12 10.532 -7.650 -14.301 70 H GLU 13 H GLU 13 9.553 -4.462 -16.650 71 HA GLU 13 HA GLU 13 11.432 -2.394 -16.226 72 HB2 GLU 13 1HB GLU 13 9.117 -2.420 -18.185 73 HB3 GLU 13 2HB GLU 13 10.512 -1.353 -18.255 74 HG2 GLU 13 1HG GLU 13 10.848 -3.049 -19.872 75 HG3 GLU 13 2HG GLU 13 11.944 -3.396 -18.534 76 H GLU 14 H GLU 14 7.909 -2.502 -16.008 77 HA GLU 14 HA GLU 14 7.616 0.241 -15.236 78 HB2 GLU 14 1HB GLU 14 5.618 -1.983 -14.756 79 HB3 GLU 14 2HB GLU 14 5.294 -0.262 -14.924 80 HG2 GLU 14 1HG GLU 14 6.183 -2.159 -17.091 81 HG3 GLU 14 2HG GLU 14 4.592 -1.421 -16.910 82 H LEU 15 H LEU 15 7.515 -2.878 -13.600 83 HA LEU 15 HA LEU 15 6.894 -2.084 -11.026 84 HB2 LEU 15 1HB LEU 15 6.978 -4.424 -11.901 85 HB3 LEU 15 2HB LEU 15 8.725 -4.353 -11.852 86 HG LEU 15 HG LEU 15 7.553 -5.597 -9.956 87 HD11 LEU 15 1HD1 LEU 15 9.446 -3.378 -9.185 88 HD12 LEU 15 2HD1 LEU 15 9.907 -4.953 -9.830 89 HD13 LEU 15 3HD1 LEU 15 9.121 -4.840 -8.255 90 HD21 LEU 15 1HD2 LEU 15 5.763 -3.962 -9.577 91 HD22 LEU 15 2HD2 LEU 15 6.956 -2.789 -9.017 92 HD23 LEU 15 3HD2 LEU 15 6.688 -4.276 -8.110 93 H LEU 16 H LEU 16 10.078 -2.339 -12.589 94 HA LEU 16 HA LEU 16 11.709 -1.868 -10.395 95 HB2 LEU 16 1HB LEU 16 12.549 -2.552 -12.595 96 HB3 LEU 16 2HB LEU 16 12.121 -0.987 -13.258 97 HG LEU 16 HG LEU 16 13.793 0.082 -11.759 98 HD11 LEU 16 1HD1 LEU 16 14.539 -2.757 -11.051 99 HD12 LEU 16 2HD1 LEU 16 13.806 -1.575 -9.968 100 HD13 LEU 16 3HD1 LEU 16 15.431 -1.306 -10.591 101 HD21 LEU 16 1HD2 LEU 16 15.777 -0.687 -12.971 102 HD22 LEU 16 2HD2 LEU 16 14.396 -0.500 -14.052 103 HD23 LEU 16 3HD2 LEU 16 14.893 -2.109 -13.525 104 H ALA 17 H ALA 17 10.593 0.568 -12.751 105 HA ALA 17 HA ALA 17 11.719 2.775 -11.420 106 HB1 ALA 17 1HB ALA 17 10.319 4.141 -12.894 107 HB2 ALA 17 2HB ALA 17 9.382 2.712 -13.337 108 HB3 ALA 17 3HB ALA 17 11.085 2.824 -13.784 109 H ASP 18 H ASP 18 8.387 1.529 -11.455 110 HA ASP 18 HA ASP 18 7.395 3.623 -9.815 111 HB2 ASP 18 1HB ASP 18 6.204 0.986 -10.677 112 HB3 ASP 18 2HB ASP 18 5.336 2.137 -9.659 113 H VAL 19 H VAL 19 8.622 0.385 -9.084 114 HA VAL 19 HA VAL 19 7.766 0.481 -6.354 115 HB VAL 19 HB VAL 19 8.457 -1.648 -7.636 116 HG11 VAL 19 1HG1 VAL 19 10.653 -0.908 -8.409 117 HG12 VAL 19 2HG1 VAL 19 10.792 -2.347 -7.402 118 HG13 VAL 19 3HG1 VAL 19 11.206 -0.766 -6.740 119 HG21 VAL 19 1HG2 VAL 19 7.847 -1.646 -5.274 120 HG22 VAL 19 2HG2 VAL 19 9.492 -1.188 -4.832 121 HG23 VAL 19 3HG2 VAL 19 9.181 -2.762 -5.565 122 H GLU 20 H GLU 20 10.722 1.363 -8.095 123 HA GLU 20 HA GLU 20 12.299 2.077 -5.899 124 HB2 GLU 20 1HB GLU 20 12.216 3.053 -8.748 125 HB3 GLU 20 2HB GLU 20 13.332 3.757 -7.585 126 HG2 GLU 20 1HG GLU 20 13.201 0.852 -8.384 127 HG3 GLU 20 2HG GLU 20 14.412 2.025 -8.905 128 H GLU 21 H GLU 21 9.905 3.972 -7.715 129 HA GLU 21 HA GLU 21 10.209 6.342 -6.161 130 HB2 GLU 21 1HB GLU 21 7.821 5.351 -7.746 131 HB3 GLU 21 2HB GLU 21 8.027 6.989 -7.144 132 HG2 GLU 21 1HG GLU 21 9.852 5.650 -9.134 133 HG3 GLU 21 2HG GLU 21 8.526 6.733 -9.552 134 H ALA 22 H ALA 22 7.847 3.680 -6.042 135 HA ALA 22 HA ALA 22 6.232 4.737 -4.004 136 HB1 ALA 22 1HB ALA 22 6.630 1.834 -4.746 137 HB2 ALA 22 2HB ALA 22 5.504 2.948 -5.522 138 HB3 ALA 22 3HB ALA 22 5.275 2.501 -3.832 139 H MET 23 H MET 23 9.123 2.767 -3.891 140 HA MET 23 HA MET 23 8.952 1.912 -1.228 141 HB2 MET 23 1HB MET 23 11.238 2.241 -3.141 142 HB3 MET 23 2HB MET 23 11.549 1.824 -1.461 143 HG2 MET 23 1HG MET 23 9.748 0.235 -3.289 144 HG3 MET 23 2HG MET 23 11.452 -0.125 -3.001 145 HE1 MET 23 1HE MET 23 9.051 -2.220 -2.558 146 HE2 MET 23 2HE MET 23 9.554 -2.964 -1.038 147 HE3 MET 23 3HE MET 23 10.751 -2.616 -2.290 148 H ARG 24 H ARG 24 9.442 5.071 -2.410 149 HA ARG 24 HA ARG 24 10.979 5.938 -0.064 150 HB2 ARG 24 1HB ARG 24 11.566 6.896 -2.223 151 HB3 ARG 24 2HB ARG 24 9.915 7.448 -2.467 152 HG2 ARG 24 1HG ARG 24 10.139 8.997 -0.595 153 HG3 ARG 24 2HG ARG 24 11.782 8.421 -0.303 154 HD2 ARG 24 1HD ARG 24 12.521 9.271 -2.428 155 HD3 ARG 24 2HD ARG 24 10.866 9.678 -2.892 156 HE ARG 24 HE ARG 24 11.203 11.118 -0.639 157 HH11 ARG 24 1HH1 ARG 24 13.170 10.807 -3.529 158 HH12 ARG 24 2HH1 ARG 24 13.750 12.438 -3.455 159 HH21 ARG 24 1HH2 ARG 24 11.975 13.239 -0.536 160 HH22 ARG 24 2HH2 ARG 24 13.061 13.835 -1.748 161 H ASP 25 H ASP 25 7.693 5.550 -0.915 162 HA ASP 25 HA ASP 25 6.855 7.597 1.059 163 HB2 ASP 25 1HB ASP 25 5.451 6.761 -1.497 164 HB3 ASP 25 2HB ASP 25 4.748 7.821 -0.280 165 H VAL 26 H VAL 26 6.534 4.403 -0.167 166 HA VAL 26 HA VAL 26 4.386 3.585 1.541 167 HB VAL 26 HB VAL 26 6.379 2.087 -0.175 168 HG11 VAL 26 1HG1 VAL 26 4.101 0.951 1.436 169 HG12 VAL 26 2HG1 VAL 26 5.823 0.654 1.680 170 HG13 VAL 26 3HG1 VAL 26 5.027 0.074 0.218 171 HG21 VAL 26 1HG2 VAL 26 4.712 3.357 -1.407 172 HG22 VAL 26 2HG2 VAL 26 3.414 2.606 -0.474 173 HG23 VAL 26 3HG2 VAL 26 4.392 1.627 -1.568 174 H VAL 27 H VAL 27 7.807 3.902 1.751 175 HA VAL 27 HA VAL 27 8.040 2.377 4.227 176 HB VAL 27 HB VAL 27 9.892 2.502 2.459 177 HG11 VAL 27 1HG1 VAL 27 9.739 4.894 1.977 178 HG12 VAL 27 2HG1 VAL 27 11.365 4.458 2.507 179 HG13 VAL 27 3HG1 VAL 27 10.264 5.269 3.620 180 HG21 VAL 27 1HG2 VAL 27 10.622 3.328 5.274 181 HG22 VAL 27 2HG2 VAL 27 11.712 2.599 4.094 182 HG23 VAL 27 3HG2 VAL 27 10.342 1.679 4.713 183 H ASP 28 H ASP 28 8.712 3.443 6.226 184 HA ASP 28 HA ASP 28 8.080 6.312 6.310 185 HB2 ASP 28 1HB ASP 28 6.961 4.927 8.027 186 HB3 ASP 28 2HB ASP 28 8.534 4.389 8.612 187 HA PRO 29 HA PRO 29 12.609 6.331 6.156 188 HB2 PRO 29 2HB PRO 29 12.895 8.593 4.712 189 HB3 PRO 29 1HB PRO 29 12.428 7.062 3.974 190 HG2 PRO 29 2HG PRO 29 10.753 9.437 4.626 191 HG3 PRO 29 1HG PRO 29 10.619 8.296 3.274 192 HD2 PRO 29 2HD PRO 29 9.083 8.262 5.627 193 HD3 PRO 29 1HD PRO 29 9.218 6.944 4.447 194 H GLU 30 H GLU 30 10.371 8.284 7.720 195 HA GLU 30 HA GLU 30 12.067 10.306 8.779 196 HB2 GLU 30 1HB GLU 30 9.608 10.493 8.798 197 HB3 GLU 30 2HB GLU 30 9.506 9.130 9.904 198 HG2 GLU 30 1HG GLU 30 10.704 10.417 11.607 199 HG3 GLU 30 2HG GLU 30 10.819 11.783 10.497 200 H LEU 31 H LEU 31 10.732 7.356 10.256 201 HA LEU 31 HA LEU 31 12.857 7.357 12.258 202 HB2 LEU 31 1HB LEU 31 10.586 5.393 11.932 203 HB3 LEU 31 2HB LEU 31 11.605 5.606 13.344 204 HG LEU 31 HG LEU 31 9.547 7.563 12.306 205 HD11 LEU 31 1HD1 LEU 31 8.370 7.073 14.389 206 HD12 LEU 31 2HD1 LEU 31 9.607 5.891 14.821 207 HD13 LEU 31 3HD1 LEU 31 8.578 5.620 13.414 208 HD21 LEU 31 1HD2 LEU 31 10.058 8.882 14.315 209 HD22 LEU 31 2HD2 LEU 31 11.443 8.767 13.232 210 HD23 LEU 31 3HD2 LEU 31 11.383 7.781 14.693 211 H GLY 32 H GLY 32 12.001 5.878 9.278 212 HA2 GLY 32 1HA GLY 32 13.504 4.794 7.863 213 HA3 GLY 32 2HA GLY 32 14.600 4.581 9.216 214 H ILE 33 H ILE 33 11.222 3.540 8.619 215 HA ILE 33 HA ILE 33 12.141 0.750 8.752 216 HB ILE 33 HB ILE 33 10.261 0.046 10.135 217 HG12 ILE 33 1HG1 ILE 33 8.747 1.997 9.514 218 HG13 ILE 33 2HG1 ILE 33 8.718 1.510 11.202 219 HG21 ILE 33 1HG2 ILE 33 11.907 2.207 11.458 220 HG22 ILE 33 2HG2 ILE 33 12.371 0.519 11.241 221 HG23 ILE 33 3HG2 ILE 33 11.021 0.933 12.299 222 HD11 ILE 33 1HD1 ILE 33 10.148 3.387 11.781 223 HD12 ILE 33 2HD1 ILE 33 8.686 3.923 10.956 224 HD13 ILE 33 3HD1 ILE 33 10.215 3.867 10.084 225 H ASN 34 H ASN 34 10.955 -0.700 7.533 226 HA ASN 34 HA ASN 34 9.086 0.535 5.615 227 HB2 ASN 34 1HB ASN 34 9.771 -1.156 4.011 228 HB3 ASN 34 2HB ASN 34 11.200 -0.352 4.645 229 HD21 ASN 34 1HD2 ASN 34 12.537 -3.235 6.138 230 HD22 ASN 34 2HD2 ASN 34 12.600 -1.506 6.018 231 H VAL 35 H VAL 35 7.073 -0.263 5.376 232 HA VAL 35 HA VAL 35 5.919 -1.885 7.351 233 HB VAL 35 HB VAL 35 3.907 -1.937 5.936 234 HG11 VAL 35 1HG1 VAL 35 3.562 0.505 5.757 235 HG12 VAL 35 2HG1 VAL 35 5.292 0.752 6.008 236 HG13 VAL 35 3HG1 VAL 35 4.307 0.038 7.287 237 HG21 VAL 35 1HG2 VAL 35 5.001 -2.260 3.757 238 HG22 VAL 35 2HG2 VAL 35 5.629 -0.615 3.825 239 HG23 VAL 35 3HG2 VAL 35 3.892 -0.891 3.721 240 H VAL 36 H VAL 36 7.480 -2.690 4.371 241 HA VAL 36 HA VAL 36 6.437 -5.243 3.875 242 HB VAL 36 HB VAL 36 9.269 -4.301 3.341 243 HG11 VAL 36 1HG1 VAL 36 9.024 -6.713 3.082 244 HG12 VAL 36 2HG1 VAL 36 9.244 -5.941 1.511 245 HG13 VAL 36 3HG1 VAL 36 7.639 -6.476 2.015 246 HG21 VAL 36 1HG2 VAL 36 6.805 -4.046 1.607 247 HG22 VAL 36 2HG2 VAL 36 8.449 -3.624 1.122 248 HG23 VAL 36 3HG2 VAL 36 7.652 -2.727 2.417 249 H ASP 37 H ASP 37 8.681 -4.083 6.257 250 HA ASP 37 HA ASP 37 9.980 -6.434 7.016 251 HB2 ASP 37 1HB ASP 37 10.589 -4.218 7.888 252 HB3 ASP 37 2HB ASP 37 9.059 -4.124 8.753 253 H LEU 38 H LEU 38 6.730 -5.281 7.699 254 HA LEU 38 HA LEU 38 6.181 -7.177 9.777 255 HB2 LEU 38 1HB LEU 38 4.380 -5.459 8.067 256 HB3 LEU 38 2HB LEU 38 3.765 -6.537 9.303 257 HG LEU 38 HG LEU 38 3.834 -4.301 10.188 258 HD11 LEU 38 1HD1 LEU 38 6.080 -5.943 11.356 259 HD12 LEU 38 2HD1 LEU 38 4.367 -6.088 11.748 260 HD13 LEU 38 3HD1 LEU 38 5.241 -4.614 12.156 261 HD21 LEU 38 1HD2 LEU 38 6.777 -4.259 9.501 262 HD22 LEU 38 2HD2 LEU 38 5.903 -3.012 10.387 263 HD23 LEU 38 3HD2 LEU 38 5.510 -3.330 8.700 264 H GLY 39 H GLY 39 6.351 -7.337 6.403 265 HA2 GLY 39 1HA GLY 39 5.957 -8.977 4.862 266 HA3 GLY 39 2HA GLY 39 6.165 -10.084 6.206 267 H LEU 40 H LEU 40 3.551 -7.827 6.378 268 HA LEU 40 HA LEU 40 1.651 -10.002 6.052 269 HB2 LEU 40 1HB LEU 40 1.657 -7.465 7.445 270 HB3 LEU 40 2HB LEU 40 0.226 -7.600 6.442 271 HG LEU 40 HG LEU 40 1.083 -9.468 8.657 272 HD11 LEU 40 1HD1 LEU 40 -1.356 -7.724 8.304 273 HD12 LEU 40 2HD1 LEU 40 -0.008 -7.429 9.403 274 HD13 LEU 40 3HD1 LEU 40 -1.058 -8.822 9.656 275 HD21 LEU 40 1HD2 LEU 40 0.225 -10.826 6.848 276 HD22 LEU 40 2HD2 LEU 40 -1.183 -9.779 6.683 277 HD23 LEU 40 3HD2 LEU 40 -0.969 -10.747 8.143 278 H VAL 41 H VAL 41 2.977 -7.450 4.232 279 HA VAL 41 HA VAL 41 0.873 -6.934 2.440 280 HB VAL 41 HB VAL 41 2.898 -5.513 2.665 281 HG11 VAL 41 1HG1 VAL 41 4.595 -7.238 2.841 282 HG12 VAL 41 2HG1 VAL 41 4.977 -6.147 1.512 283 HG13 VAL 41 3HG1 VAL 41 4.299 -7.740 1.177 284 HG21 VAL 41 1HG2 VAL 41 1.476 -5.256 0.700 285 HG22 VAL 41 2HG2 VAL 41 2.396 -6.499 -0.151 286 HG23 VAL 41 3HG2 VAL 41 3.164 -4.971 0.284 287 H TYR 42 H TYR 42 2.710 -9.704 2.931 288 HA TYR 42 HA TYR 42 2.834 -10.943 0.447 289 HB2 TYR 42 2HB TYR 42 3.811 -11.903 2.491 290 HB3 TYR 42 1HB TYR 42 2.203 -12.153 3.159 291 HD1 TYR 42 1HD TYR 42 4.511 -13.230 0.457 292 HD2 TYR 42 2HD TYR 42 0.968 -14.116 2.644 293 HE1 TYR 42 1HE TYR 42 4.464 -15.478 -0.538 294 HE2 TYR 42 2HE TYR 42 0.913 -16.366 1.654 295 HH TYR 42 HH TYR 42 1.767 -17.537 -0.339 296 H GLY 43 H GLY 43 0.143 -10.329 2.587 297 HA2 GLY 43 1HA GLY 43 -1.765 -11.946 1.177 298 HA3 GLY 43 2HA GLY 43 -2.113 -10.740 2.409 299 H LEU 44 H LEU 44 -1.149 -11.107 -0.962 300 HA LEU 44 HA LEU 44 -2.619 -8.633 -1.621 301 HB2 LEU 44 1HB LEU 44 -0.257 -8.302 -2.002 302 HB3 LEU 44 2HB LEU 44 -0.133 -9.817 -2.875 303 HG LEU 44 HG LEU 44 -1.514 -8.884 -4.698 304 HD11 LEU 44 1HD1 LEU 44 -1.419 -6.320 -3.105 305 HD12 LEU 44 2HD1 LEU 44 -2.850 -7.302 -3.423 306 HD13 LEU 44 3HD1 LEU 44 -2.026 -6.489 -4.753 307 HD21 LEU 44 1HD2 LEU 44 0.906 -8.719 -4.854 308 HD22 LEU 44 2HD2 LEU 44 0.883 -7.199 -3.961 309 HD23 LEU 44 3HD2 LEU 44 0.149 -7.293 -5.564 310 H ASP 45 H ASP 45 -4.337 -8.912 -2.896 311 HA ASP 45 HA ASP 45 -4.363 -10.985 -4.940 312 HB2 ASP 45 1HB ASP 45 -5.285 -12.144 -2.963 313 HB3 ASP 45 2HB ASP 45 -6.479 -10.867 -2.765 314 H VAL 46 H VAL 46 -4.975 -9.909 -6.713 315 HA VAL 46 HA VAL 46 -6.602 -7.499 -6.391 316 HB VAL 46 HB VAL 46 -5.909 -6.811 -8.560 317 HG11 VAL 46 1HG1 VAL 46 -4.239 -6.515 -6.797 318 HG12 VAL 46 2HG1 VAL 46 -3.476 -6.765 -8.365 319 HG13 VAL 46 3HG1 VAL 46 -3.533 -8.082 -7.194 320 HG21 VAL 46 1HG2 VAL 46 -6.134 -8.902 -9.765 321 HG22 VAL 46 2HG2 VAL 46 -4.718 -9.557 -8.941 322 HG23 VAL 46 3HG2 VAL 46 -4.544 -8.199 -10.052 323 H GLN 47 H GLN 47 -8.621 -7.283 -7.201 324 HA GLN 47 HA GLN 47 -9.758 -9.525 -8.736 325 HB2 GLN 47 1HB GLN 47 -11.216 -8.081 -6.505 326 HB3 GLN 47 2HB GLN 47 -11.764 -9.495 -7.400 327 HG2 GLN 47 1HG GLN 47 -9.843 -10.763 -6.432 328 HG3 GLN 47 2HG GLN 47 -9.490 -9.358 -5.429 329 HE21 GLN 47 1HE2 GLN 47 -11.589 -11.886 -3.634 330 HE22 GLN 47 2HE2 GLN 47 -10.138 -11.992 -4.569 331 H ASP 48 H ASP 48 -11.513 -8.941 -10.103 332 HA ASP 48 HA ASP 48 -11.245 -6.197 -11.057 333 HB2 ASP 48 1HB ASP 48 -10.947 -7.976 -12.689 334 HB3 ASP 48 2HB ASP 48 -12.532 -8.639 -12.304 335 H GLY 49 H GLY 49 -12.658 -4.707 -10.444 336 HA2 GLY 49 1HA GLY 49 -15.321 -5.536 -9.500 337 HA3 GLY 49 2HA GLY 49 -14.523 -4.015 -9.125 338 H ASP 50 H ASP 50 -17.024 -3.730 -9.872 339 HA ASP 50 HA ASP 50 -17.670 -3.760 -12.598 340 HB2 ASP 50 1HB ASP 50 -18.743 -1.930 -10.432 341 HB3 ASP 50 2HB ASP 50 -19.492 -2.187 -12.004 342 H GLU 51 H GLU 51 -15.938 -1.408 -10.698 343 HA GLU 51 HA GLU 51 -16.047 0.572 -12.854 344 HB2 GLU 51 1HB GLU 51 -14.997 0.768 -10.020 345 HB3 GLU 51 2HB GLU 51 -15.028 2.097 -11.174 346 HG2 GLU 51 1HG GLU 51 -17.411 2.115 -11.219 347 HG3 GLU 51 2HG GLU 51 -17.500 0.613 -10.302 348 H GLY 52 H GLY 52 -13.999 -1.875 -11.704 349 HA2 GLY 52 1HA GLY 52 -12.118 -1.884 -13.607 350 HA3 GLY 52 2HA GLY 52 -11.521 -0.609 -12.552 351 H THR 53 H THR 53 -9.875 -2.672 -12.872 352 HA THR 53 HA THR 53 -10.308 -4.767 -10.946 353 HB THR 53 HB THR 53 -7.744 -4.049 -12.397 354 HG1 THR 53 1HG THR 53 -10.099 -5.264 -13.264 355 HG21 THR 53 1HG2 THR 53 -7.183 -6.416 -12.051 356 HG22 THR 53 2HG2 THR 53 -8.693 -6.651 -11.173 357 HG23 THR 53 3HG2 THR 53 -7.443 -5.596 -10.512 358 H VAL 54 H VAL 54 -10.061 -4.460 -8.819 359 HA VAL 54 HA VAL 54 -8.193 -2.392 -7.875 360 HB VAL 54 HB VAL 54 -9.391 -2.441 -5.744 361 HG11 VAL 54 1HG1 VAL 54 -11.516 -1.469 -6.491 362 HG12 VAL 54 2HG1 VAL 54 -11.257 -2.137 -8.102 363 HG13 VAL 54 3HG1 VAL 54 -10.164 -0.905 -7.473 364 HG21 VAL 54 1HG2 VAL 54 -11.479 -3.736 -5.490 365 HG22 VAL 54 2HG2 VAL 54 -10.070 -4.778 -5.688 366 HG23 VAL 54 3HG2 VAL 54 -11.171 -4.518 -7.042 367 H ALA 55 H ALA 55 -6.645 -2.854 -6.337 368 HA ALA 55 HA ALA 55 -5.904 -5.700 -6.113 369 HB1 ALA 55 1HB ALA 55 -3.699 -4.827 -5.436 370 HB2 ALA 55 2HB ALA 55 -4.321 -3.179 -5.539 371 HB3 ALA 55 3HB ALA 55 -4.212 -4.172 -6.991 372 H LEU 56 H LEU 56 -6.675 -6.672 -4.285 373 HA LEU 56 HA LEU 56 -7.179 -5.172 -1.866 374 HB2 LEU 56 1HB LEU 56 -7.154 -8.182 -2.185 375 HB3 LEU 56 2HB LEU 56 -7.914 -7.257 -0.903 376 HG LEU 56 HG LEU 56 -8.796 -7.368 -3.796 377 HD11 LEU 56 1HD1 LEU 56 -10.792 -8.463 -2.882 378 HD12 LEU 56 2HD1 LEU 56 -10.068 -8.435 -1.274 379 HD13 LEU 56 3HD1 LEU 56 -9.326 -9.388 -2.559 380 HD21 LEU 56 1HD2 LEU 56 -10.743 -6.035 -3.036 381 HD22 LEU 56 2HD2 LEU 56 -9.226 -5.148 -2.931 382 HD23 LEU 56 3HD2 LEU 56 -9.961 -5.814 -1.470 383 H ILE 57 H ILE 57 -5.597 -4.633 -0.503 384 HA ILE 57 HA ILE 57 -3.183 -6.337 -0.335 385 HB ILE 57 HB ILE 57 -3.302 -3.328 0.040 386 HG12 ILE 57 1HG1 ILE 57 -2.237 -4.915 -2.318 387 HG13 ILE 57 2HG1 ILE 57 -3.702 -3.938 -2.317 388 HG21 ILE 57 1HG2 ILE 57 -0.944 -5.216 -0.107 389 HG22 ILE 57 2HG2 ILE 57 -1.538 -4.398 1.339 390 HG23 ILE 57 3HG2 ILE 57 -0.847 -3.458 0.017 391 HD11 ILE 57 1HD1 ILE 57 -1.845 -2.797 -3.401 392 HD12 ILE 57 2HD1 ILE 57 -0.905 -2.895 -1.912 393 HD13 ILE 57 3HD1 ILE 57 -2.383 -1.929 -1.963 394 H ASP 58 H ASP 58 -2.856 -7.180 1.662 395 HA ASP 58 HA ASP 58 -4.277 -5.970 3.922 396 HB2 ASP 58 1HB ASP 58 -4.496 -8.415 3.612 397 HB3 ASP 58 2HB ASP 58 -2.757 -8.588 3.831 398 H MET 59 H MET 59 -3.308 -4.934 5.548 399 HA MET 59 HA MET 59 -0.389 -4.918 5.767 400 HB2 MET 59 1HB MET 59 -2.073 -2.465 5.226 401 HB3 MET 59 2HB MET 59 -0.446 -2.381 5.880 402 HG2 MET 59 1HG MET 59 0.460 -3.377 3.877 403 HG3 MET 59 2HG MET 59 -1.161 -3.636 3.237 404 HE1 MET 59 1HE MET 59 0.006 -0.385 5.192 405 HE2 MET 59 2HE MET 59 0.624 0.594 3.862 406 HE3 MET 59 3HE MET 59 1.464 -0.885 4.332 407 H THR 60 H THR 60 0.305 -3.551 7.677 408 HA THR 60 HA THR 60 -1.666 -3.036 9.723 409 HB THR 60 HB THR 60 -1.151 -5.435 10.095 410 HG1 THR 60 1HG THR 60 -1.502 -4.818 12.079 411 HG21 THR 60 1HG2 THR 60 1.065 -6.128 10.844 412 HG22 THR 60 2HG2 THR 60 1.676 -4.489 10.617 413 HG23 THR 60 3HG2 THR 60 1.160 -5.439 9.223 414 H LEU 61 H LEU 61 -0.817 -1.699 11.424 415 HA LEU 61 HA LEU 61 1.803 -0.488 10.817 416 HB2 LEU 61 1HB LEU 61 -0.629 0.690 12.187 417 HB3 LEU 61 2HB LEU 61 0.938 1.473 12.152 418 HG LEU 61 HG LEU 61 0.773 1.467 9.621 419 HD11 LEU 61 1HD1 LEU 61 -1.459 1.259 8.637 420 HD12 LEU 61 2HD1 LEU 61 -2.098 0.737 10.198 421 HD13 LEU 61 3HD1 LEU 61 -0.916 -0.258 9.348 422 HD21 LEU 61 1HD2 LEU 61 -1.343 3.007 11.124 423 HD22 LEU 61 2HD2 LEU 61 -0.677 3.422 9.541 424 HD23 LEU 61 3HD2 LEU 61 0.352 3.470 10.973 425 H THR 62 H THR 62 2.797 0.515 12.875 426 HA THR 62 HA THR 62 3.590 -1.557 14.552 427 HB THR 62 HB THR 62 4.553 0.299 15.993 428 HG1 THR 62 1HG THR 62 4.252 2.395 15.318 429 HG21 THR 62 1HG2 THR 62 5.853 -0.681 14.167 430 HG22 THR 62 2HG2 THR 62 6.157 1.052 14.280 431 HG23 THR 62 3HG2 THR 62 5.097 0.424 13.017 432 H SER 63 H SER 63 1.628 1.280 15.507 433 HA SER 63 HA SER 63 0.671 -0.160 17.857 434 HB2 SER 63 1HB SER 63 -0.326 2.008 18.492 435 HB3 SER 63 2HB SER 63 1.384 2.195 18.099 436 HG SER 63 HG SER 63 0.207 3.824 17.092 437 H ALA 64 H ALA 64 -0.313 0.682 14.687 438 HA ALA 64 HA ALA 64 -2.208 0.465 13.467 439 HB1 ALA 64 1HB ALA 64 -3.151 -1.316 15.717 440 HB2 ALA 64 2HB ALA 64 -2.193 -1.836 14.331 441 HB3 ALA 64 3HB ALA 64 -3.832 -1.233 14.092 442 H ALA 65 H ALA 65 -1.952 2.248 16.054 443 HA ALA 65 HA ALA 65 -4.765 3.128 16.119 444 HB1 ALA 65 1HB ALA 65 -2.613 3.611 18.187 445 HB2 ALA 65 2HB ALA 65 -3.863 2.373 18.292 446 HB3 ALA 65 3HB ALA 65 -4.311 4.077 18.307 447 H CYS 66 H CYS 66 -1.473 4.023 15.480 448 HA CYS 66 HA CYS 66 -1.666 6.805 15.469 449 HB2 CYS 66 2HB CYS 66 0.025 5.047 13.668 450 HB3 CYS 66 1HB CYS 66 0.290 6.759 13.980 451 HG CYS 66 HG CYS 66 0.537 6.114 16.857 452 HA PRO 67 HA PRO 67 -4.459 7.468 12.086 453 HB2 PRO 67 2HB PRO 67 -4.107 10.123 11.733 454 HB3 PRO 67 1HB PRO 67 -4.911 9.464 13.164 455 HG2 PRO 67 2HG PRO 67 -2.069 10.380 12.846 456 HG3 PRO 67 1HG PRO 67 -3.211 10.723 14.159 457 HD2 PRO 67 2HD PRO 67 -1.297 8.804 14.347 458 HD3 PRO 67 1HD PRO 67 -2.868 8.675 15.166 459 H LEU 68 H LEU 68 -1.590 6.653 11.469 460 HA LEU 68 HA LEU 68 -0.792 8.253 9.209 461 HB2 LEU 68 1HB LEU 68 0.254 5.590 10.200 462 HB3 LEU 68 2HB LEU 68 0.999 6.569 8.949 463 HG LEU 68 HG LEU 68 0.704 7.345 11.860 464 HD11 LEU 68 1HD1 LEU 68 3.132 6.535 10.255 465 HD12 LEU 68 2HD1 LEU 68 2.368 5.607 11.547 466 HD13 LEU 68 3HD1 LEU 68 3.154 7.142 11.912 467 HD21 LEU 68 1HD2 LEU 68 0.565 9.298 10.397 468 HD22 LEU 68 2HD2 LEU 68 2.049 8.808 9.578 469 HD23 LEU 68 3HD2 LEU 68 2.094 9.283 11.277 470 H THR 69 H THR 69 -3.068 5.899 9.735 471 HA THR 69 HA THR 69 -3.118 4.246 7.543 472 HB THR 69 HB THR 69 -4.762 4.090 9.339 473 HG1 THR 69 1HG THR 69 -6.472 4.639 7.203 474 HG21 THR 69 1HG2 THR 69 -5.944 6.641 8.229 475 HG22 THR 69 2HG2 THR 69 -5.131 6.458 9.783 476 HG23 THR 69 3HG2 THR 69 -6.664 5.638 9.488 477 H ASP 70 H ASP 70 -4.224 7.596 7.791 478 HA ASP 70 HA ASP 70 -5.285 7.939 5.237 479 HB2 ASP 70 1HB ASP 70 -5.590 9.580 7.024 480 HB3 ASP 70 2HB ASP 70 -3.865 9.926 7.040 481 H VAL 71 H VAL 71 -1.993 8.536 6.422 482 HA VAL 71 HA VAL 71 -0.992 9.638 4.042 483 HB VAL 71 HB VAL 71 0.573 8.227 6.219 484 HG11 VAL 71 1HG1 VAL 71 1.899 8.538 4.207 485 HG12 VAL 71 2HG1 VAL 71 2.445 9.653 5.459 486 HG13 VAL 71 3HG1 VAL 71 1.439 10.239 4.134 487 HG21 VAL 71 1HG2 VAL 71 -0.818 10.002 7.157 488 HG22 VAL 71 2HG2 VAL 71 -0.201 11.142 5.961 489 HG23 VAL 71 3HG2 VAL 71 0.881 10.478 7.186 490 H ILE 72 H ILE 72 -0.634 6.323 5.376 491 HA ILE 72 HA ILE 72 0.922 5.484 3.136 492 HB ILE 72 HB ILE 72 0.611 3.174 4.049 493 HG12 ILE 72 1HG1 ILE 72 -0.980 4.697 6.126 494 HG13 ILE 72 2HG1 ILE 72 -1.527 3.348 5.135 495 HG21 ILE 72 1HG2 ILE 72 2.039 3.588 5.998 496 HG22 ILE 72 2HG2 ILE 72 1.604 5.296 5.961 497 HG23 ILE 72 3HG2 ILE 72 2.520 4.592 4.628 498 HD11 ILE 72 1HD1 ILE 72 0.022 1.872 6.290 499 HD12 ILE 72 2HD1 ILE 72 -1.092 2.654 7.411 500 HD13 ILE 72 3HD1 ILE 72 0.572 3.222 7.281 501 H GLU 73 H GLU 73 -2.512 5.179 3.954 502 HA GLU 73 HA GLU 73 -3.368 3.547 1.856 503 HB2 GLU 73 1HB GLU 73 -4.581 5.250 3.779 504 HB3 GLU 73 2HB GLU 73 -5.175 5.798 2.231 505 HG2 GLU 73 1HG GLU 73 -5.271 2.883 2.887 506 HG3 GLU 73 2HG GLU 73 -6.476 3.982 3.557 507 H ASP 74 H ASP 74 -3.055 7.045 2.032 508 HA ASP 74 HA ASP 74 -3.844 7.647 -0.572 509 HB2 ASP 74 1HB ASP 74 -3.741 9.263 1.289 510 HB3 ASP 74 2HB ASP 74 -1.981 9.191 1.244 511 H GLN 75 H GLN 75 -0.552 7.289 0.772 512 HA GLN 75 HA GLN 75 0.814 7.943 -1.591 513 HB2 GLN 75 1HB GLN 75 1.730 6.129 0.656 514 HB3 GLN 75 2HB GLN 75 2.774 6.801 -0.590 515 HG2 GLN 75 1HG GLN 75 1.370 8.237 1.644 516 HG3 GLN 75 2HG GLN 75 3.097 8.138 1.316 517 HE21 GLN 75 1HE2 GLN 75 0.770 10.922 -0.498 518 HE22 GLN 75 2HE2 GLN 75 0.102 9.658 0.475 519 H SER 76 H SER 76 -0.128 4.770 -0.278 520 HA SER 76 HA SER 76 1.045 3.223 -2.289 521 HB2 SER 76 1HB SER 76 -1.418 2.605 -0.634 522 HB3 SER 76 2HB SER 76 -0.456 1.424 -1.522 523 HG SER 76 HG SER 76 0.063 2.699 0.874 524 H ARG 77 H ARG 77 -2.422 4.152 -1.986 525 HA ARG 77 HA ARG 77 -3.129 3.000 -4.465 526 HB2 ARG 77 1HB ARG 77 -5.255 4.167 -4.245 527 HB3 ARG 77 2HB ARG 77 -4.779 3.450 -2.715 528 HG2 ARG 77 1HG ARG 77 -3.910 5.743 -2.065 529 HG3 ARG 77 2HG ARG 77 -4.743 6.354 -3.496 530 HD2 ARG 77 1HD ARG 77 -5.992 4.904 -1.158 531 HD3 ARG 77 2HD ARG 77 -6.155 6.618 -1.545 532 HE ARG 77 HE ARG 77 -7.069 5.378 -3.777 533 HH11 ARG 77 1HH1 ARG 77 -7.839 4.943 -0.381 534 HH12 ARG 77 2HH1 ARG 77 -9.510 4.587 -0.696 535 HH21 ARG 77 1HH2 ARG 77 -9.256 4.864 -4.159 536 HH22 ARG 77 2HH2 ARG 77 -10.316 4.577 -2.813 537 H SER 78 H SER 78 -2.046 6.236 -3.618 538 HA SER 78 HA SER 78 -2.684 7.563 -6.001 539 HB2 SER 78 1HB SER 78 -1.988 8.717 -3.930 540 HB3 SER 78 2HB SER 78 -0.359 8.075 -4.120 541 HG SER 78 HG SER 78 -1.633 9.696 -6.073 542 H ALA 79 H ALA 79 0.177 5.670 -5.086 543 HA ALA 79 HA ALA 79 1.591 6.239 -7.513 544 HB1 ALA 79 1HB ALA 79 2.759 5.646 -5.437 545 HB2 ALA 79 2HB ALA 79 3.175 4.546 -6.752 546 HB3 ALA 79 3HB ALA 79 2.046 4.033 -5.498 547 H LEU 80 H LEU 80 -0.159 3.387 -6.283 548 HA LEU 80 HA LEU 80 0.287 1.691 -8.445 549 HB2 LEU 80 1HB LEU 80 -1.843 1.847 -6.348 550 HB3 LEU 80 2HB LEU 80 -2.065 0.739 -7.685 551 HG LEU 80 HG LEU 80 -1.122 -0.370 -5.700 552 HD11 LEU 80 1HD1 LEU 80 -0.647 -1.280 -7.904 553 HD12 LEU 80 2HD1 LEU 80 0.724 -1.518 -6.820 554 HD13 LEU 80 3HD1 LEU 80 0.778 -0.248 -8.042 555 HD21 LEU 80 1HD2 LEU 80 1.268 1.430 -6.128 556 HD22 LEU 80 2HD2 LEU 80 1.171 0.086 -4.989 557 HD23 LEU 80 3HD2 LEU 80 0.142 1.500 -4.772 558 H VAL 81 H VAL 81 -2.215 4.152 -8.002 559 HA VAL 81 HA VAL 81 -3.551 3.504 -10.474 560 HB VAL 81 HB VAL 81 -4.662 4.577 -8.489 561 HG11 VAL 81 1HG1 VAL 81 -3.301 7.078 -9.479 562 HG12 VAL 81 2HG1 VAL 81 -2.967 6.249 -7.961 563 HG13 VAL 81 3HG1 VAL 81 -4.540 6.999 -8.225 564 HG21 VAL 81 1HG2 VAL 81 -4.956 5.967 -11.152 565 HG22 VAL 81 2HG2 VAL 81 -6.142 6.004 -9.846 566 HG23 VAL 81 3HG2 VAL 81 -5.763 4.481 -10.651 567 H GLY 82 H GLY 82 -0.882 5.498 -9.502 568 HA2 GLY 82 1HA GLY 82 -1.035 7.574 -11.378 569 HA3 GLY 82 2HA GLY 82 0.438 7.005 -10.608 570 H SER 83 H SER 83 0.198 4.314 -11.646 571 HA SER 83 HA SER 83 1.077 4.886 -14.413 572 HB2 SER 83 1HB SER 83 1.855 2.567 -12.623 573 HB3 SER 83 2HB SER 83 2.495 2.898 -14.235 574 HG SER 83 HG SER 83 3.927 3.741 -12.778 575 H GLY 84 H GLY 84 -1.608 3.944 -12.996 576 HA2 GLY 84 1HA GLY 84 -3.429 2.688 -13.607 577 HA3 GLY 84 2HA GLY 84 -2.691 2.566 -15.199 578 H LEU 85 H LEU 85 -1.013 1.450 -12.374 579 HA LEU 85 HA LEU 85 -0.590 -1.155 -13.359 580 HB2 LEU 85 1HB LEU 85 -0.498 -0.204 -10.483 581 HB3 LEU 85 2HB LEU 85 0.259 -1.654 -11.114 582 HG LEU 85 HG LEU 85 1.015 1.187 -11.834 583 HD11 LEU 85 1HD1 LEU 85 2.505 -0.870 -10.201 584 HD12 LEU 85 2HD1 LEU 85 1.687 0.556 -9.562 585 HD13 LEU 85 3HD1 LEU 85 3.080 0.743 -10.628 586 HD21 LEU 85 1HD2 LEU 85 1.350 -0.304 -13.723 587 HD22 LEU 85 2HD2 LEU 85 2.238 -1.432 -12.698 588 HD23 LEU 85 3HD2 LEU 85 2.900 0.168 -13.029 589 H VAL 86 H VAL 86 -2.803 0.158 -10.972 590 HA VAL 86 HA VAL 86 -4.810 -1.808 -11.748 591 HB VAL 86 HB VAL 86 -5.553 -2.089 -9.375 592 HG11 VAL 86 1HG1 VAL 86 -3.824 -3.721 -8.718 593 HG12 VAL 86 2HG1 VAL 86 -2.761 -3.079 -9.971 594 HG13 VAL 86 3HG1 VAL 86 -4.277 -3.867 -10.416 595 HG21 VAL 86 1HG2 VAL 86 -2.898 -0.811 -8.699 596 HG22 VAL 86 2HG2 VAL 86 -4.011 -1.551 -7.547 597 HG23 VAL 86 3HG2 VAL 86 -4.489 -0.100 -8.428 598 H ASP 87 H ASP 87 -6.996 -1.035 -11.130 599 HA ASP 87 HA ASP 87 -7.269 1.710 -11.786 600 HB2 ASP 87 1HB ASP 87 -8.973 -0.012 -12.353 601 HB3 ASP 87 2HB ASP 87 -9.374 -0.156 -10.643 602 H ASP 88 H ASP 88 -7.633 -0.115 -8.804 603 HA ASP 88 HA ASP 88 -6.891 2.137 -7.190 604 HB2 ASP 88 1HB ASP 88 -9.329 2.573 -7.582 605 HB3 ASP 88 2HB ASP 88 -9.696 1.010 -6.858 606 H ILE 89 H ILE 89 -6.923 1.413 -4.789 607 HA ILE 89 HA ILE 89 -6.546 -1.519 -4.655 608 HB ILE 89 HB ILE 89 -4.756 -1.280 -3.067 609 HG12 ILE 89 1HG1 ILE 89 -5.015 1.726 -3.357 610 HG13 ILE 89 2HG1 ILE 89 -5.626 0.805 -1.987 611 HG21 ILE 89 1HG2 ILE 89 -3.016 -0.260 -4.452 612 HG22 ILE 89 2HG2 ILE 89 -4.252 0.524 -5.436 613 HG23 ILE 89 3HG2 ILE 89 -4.121 -1.234 -5.423 614 HD11 ILE 89 1HD1 ILE 89 -2.746 1.017 -2.823 615 HD12 ILE 89 2HD1 ILE 89 -3.364 0.084 -1.457 616 HD13 ILE 89 3HD1 ILE 89 -3.510 1.843 -1.464 617 H ARG 90 H ARG 90 -7.203 -2.536 -2.785 618 HA ARG 90 HA ARG 90 -8.765 -0.897 -0.891 619 HB2 ARG 90 1HB ARG 90 -9.947 -2.600 -2.495 620 HB3 ARG 90 2HB ARG 90 -9.266 -3.815 -1.430 621 HG2 ARG 90 1HG ARG 90 -11.527 -3.395 -0.779 622 HG3 ARG 90 2HG ARG 90 -10.452 -2.759 0.469 623 HD2 ARG 90 1HD ARG 90 -12.304 -1.229 -0.068 624 HD3 ARG 90 2HD ARG 90 -10.723 -0.521 -0.373 625 HE ARG 90 HE ARG 90 -12.506 -1.568 -2.491 626 HH11 ARG 90 1HH1 ARG 90 -10.156 0.777 -1.351 627 HH12 ARG 90 2HH1 ARG 90 -10.081 1.625 -2.864 628 HH21 ARG 90 1HH2 ARG 90 -12.436 -0.401 -4.471 629 HH22 ARG 90 2HH2 ARG 90 -11.377 0.973 -4.615 630 H ILE 91 H ILE 91 -7.481 -0.717 0.861 631 HA ILE 91 HA ILE 91 -5.686 -2.895 1.587 632 HB ILE 91 HB ILE 91 -5.917 -0.125 2.789 633 HG12 ILE 91 1HG1 ILE 91 -3.962 -1.214 0.738 634 HG13 ILE 91 2HG1 ILE 91 -5.218 -0.017 0.437 635 HG21 ILE 91 1HG2 ILE 91 -3.758 -2.218 3.099 636 HG22 ILE 91 2HG2 ILE 91 -4.942 -1.765 4.324 637 HG23 ILE 91 3HG2 ILE 91 -3.735 -0.594 3.792 638 HD11 ILE 91 1HD1 ILE 91 -2.794 0.323 2.191 639 HD12 ILE 91 2HD1 ILE 91 -4.078 1.515 2.002 640 HD13 ILE 91 3HD1 ILE 91 -3.081 1.066 0.619 641 H ASN 92 H ASN 92 -5.765 -3.985 3.499 642 HA ASN 92 HA ASN 92 -7.974 -3.363 5.357 643 HB2 ASN 92 1HB ASN 92 -8.337 -5.550 4.315 644 HB3 ASN 92 2HB ASN 92 -6.700 -6.050 4.726 645 HD21 ASN 92 1HD2 ASN 92 -7.439 -6.890 8.033 646 HD22 ASN 92 2HD2 ASN 92 -6.209 -6.583 6.855 647 H TRP 93 H TRP 93 -7.431 -3.127 7.497 648 HA TRP 93 HA TRP 93 -4.558 -3.263 8.150 649 HB2 TRP 93 2HB TRP 93 -6.748 -1.782 9.641 650 HB3 TRP 93 1HB TRP 93 -5.019 -1.682 9.948 651 HD1 TRP 93 1HD TRP 93 -7.618 0.303 8.444 652 HE1 TRP 93 1HE TRP 93 -6.682 1.998 6.735 653 HE3 TRP 93 3HE TRP 93 -2.955 -1.693 7.748 654 HZ2 TRP 93 2HZ TRP 93 -4.323 2.416 5.282 655 HZ3 TRP 93 3HZ TRP 93 -1.428 -0.580 6.175 656 HH2 TRP 93 2HH TRP 93 -2.098 1.431 4.968 657 H VAL 94 H VAL 94 -4.147 -5.283 9.017 658 HA VAL 94 HA VAL 94 -6.117 -6.444 10.851 659 HB VAL 94 HB VAL 94 -3.368 -7.528 10.214 660 HG11 VAL 94 1HG1 VAL 94 -5.792 -8.844 11.437 661 HG12 VAL 94 2HG1 VAL 94 -4.293 -8.427 12.268 662 HG13 VAL 94 3HG1 VAL 94 -4.288 -9.665 11.012 663 HG21 VAL 94 1HG2 VAL 94 -6.013 -8.203 8.917 664 HG22 VAL 94 2HG2 VAL 94 -4.494 -9.060 8.645 665 HG23 VAL 94 3HG2 VAL 94 -4.655 -7.376 8.151 666 H TRP 95 H TRP 95 -6.131 -6.016 12.937 667 HA TRP 95 HA TRP 95 -3.600 -5.583 14.358 668 HB2 TRP 95 2HB TRP 95 -4.700 -3.713 15.647 669 HB3 TRP 95 1HB TRP 95 -4.363 -3.348 13.959 670 HD1 TRP 95 1HD TRP 95 -6.640 -3.790 12.281 671 HE1 TRP 95 1HE TRP 95 -9.055 -3.045 12.725 672 HE3 TRP 95 3HE TRP 95 -6.351 -3.150 17.346 673 HZ2 TRP 95 2HZ TRP 95 -10.630 -2.265 14.943 674 HZ3 TRP 95 3HZ TRP 95 -8.357 -2.391 18.553 675 HH2 TRP 95 2HH TRP 95 -10.451 -1.958 17.376 676 H ASN 96 H ASN 96 -6.248 -7.392 14.082 677 HA ASN 96 HA ASN 96 -6.193 -8.828 16.374 678 HB2 ASN 96 1HB ASN 96 -6.687 -6.843 17.718 679 HB3 ASN 96 2HB ASN 96 -8.120 -6.513 16.754 680 HD21 ASN 96 1HD2 ASN 96 -8.400 -9.927 18.985 681 HD22 ASN 96 2HD2 ASN 96 -7.035 -9.661 17.959 682 HA PRO 97 HA PRO 97 -10.485 -9.543 14.437 683 HB2 PRO 97 2HB PRO 97 -11.632 -7.777 12.781 684 HB3 PRO 97 1HB PRO 97 -11.654 -7.526 14.531 685 HG2 PRO 97 2HG PRO 97 -9.874 -6.283 12.463 686 HG3 PRO 97 1HG PRO 97 -10.680 -5.522 13.849 687 HD2 PRO 97 2HD PRO 97 -8.041 -6.323 13.833 688 HD3 PRO 97 1HD PRO 97 -9.021 -6.146 15.301 689 HA PRO 98 HA PRO 98 -9.053 -11.189 10.535 690 HB2 PRO 98 2HB PRO 98 -11.361 -12.268 9.575 691 HB3 PRO 98 1HB PRO 98 -10.444 -12.995 10.900 692 HG2 PRO 98 2HG PRO 98 -12.878 -11.245 11.019 693 HG3 PRO 98 1HG PRO 98 -12.521 -12.727 11.929 694 HD2 PRO 98 2HD PRO 98 -12.203 -10.257 12.995 695 HD3 PRO 98 1HD PRO 98 -11.158 -11.622 13.437 696 H TRP 99 H TRP 99 -9.596 -11.084 8.170 697 HA TRP 99 HA TRP 99 -9.790 -8.407 7.359 698 HB2 TRP 99 2HB TRP 99 -10.174 -10.858 5.616 699 HB3 TRP 99 1HB TRP 99 -9.644 -9.257 5.099 700 HD1 TRP 99 1HD TRP 99 -7.135 -8.499 5.899 701 HE1 TRP 99 1HE TRP 99 -5.053 -9.912 6.422 702 HE3 TRP 99 3HE TRP 99 -9.380 -13.050 6.508 703 HZ2 TRP 99 2HZ TRP 99 -4.441 -12.598 7.007 704 HZ3 TRP 99 3HZ TRP 99 -7.972 -14.995 7.044 705 HH2 TRP 99 2HH TRP 99 -5.549 -14.772 7.289 706 H GLY 100 H GLY 100 -11.625 -7.317 7.776 707 HA2 GLY 100 1HA GLY 100 -14.003 -7.978 6.269 708 HA3 GLY 100 2HA GLY 100 -14.200 -8.131 8.010 709 HA PRO 101 HA PRO 101 -15.281 -3.902 8.347 710 HB2 PRO 101 2HB PRO 101 -13.450 -3.607 10.670 711 HB3 PRO 101 1HB PRO 101 -15.202 -3.396 10.586 712 HG2 PRO 101 2HG PRO 101 -14.125 -5.524 11.794 713 HG3 PRO 101 1HG PRO 101 -15.619 -5.666 10.847 714 HD2 PRO 101 2HD PRO 101 -12.812 -6.412 10.089 715 HD3 PRO 101 1HD PRO 101 -14.331 -7.287 9.784 716 H ASP 102 H ASP 102 -11.832 -4.306 9.123 717 HA ASP 102 HA ASP 102 -11.073 -1.683 8.453 718 HB2 ASP 102 1HB ASP 102 -9.441 -4.208 8.757 719 HB3 ASP 102 2HB ASP 102 -8.729 -2.613 8.511 720 H LYS 103 H LYS 103 -12.052 -4.074 6.366 721 HA LYS 103 HA LYS 103 -10.274 -3.530 4.176 722 HB2 LYS 103 1HB LYS 103 -12.991 -4.867 4.285 723 HB3 LYS 103 2HB LYS 103 -12.033 -4.729 2.818 724 HG2 LYS 103 1HG LYS 103 -10.286 -6.091 3.770 725 HG3 LYS 103 2HG LYS 103 -11.119 -6.129 5.324 726 HD2 LYS 103 1HD LYS 103 -11.450 -8.212 4.081 727 HD3 LYS 103 2HD LYS 103 -12.974 -7.361 4.320 728 HE2 LYS 103 1HE LYS 103 -12.892 -6.527 2.032 729 HE3 LYS 103 2HE LYS 103 -11.321 -7.291 1.787 730 HZ1 LYS 103 1HZ LYS 103 -12.340 -9.443 2.075 731 HZ2 LYS 103 2HZ LYS 103 -13.150 -8.599 0.860 732 HZ3 LYS 103 3HZ LYS 103 -13.845 -8.744 2.393 733 H ILE 104 H ILE 104 -12.741 -1.772 5.636 734 HA ILE 104 HA ILE 104 -13.667 -0.389 3.268 735 HB ILE 104 HB ILE 104 -14.005 0.341 6.193 736 HG12 ILE 104 1HG1 ILE 104 -15.918 -1.007 4.260 737 HG13 ILE 104 2HG1 ILE 104 -15.090 -1.796 5.599 738 HG21 ILE 104 1HG2 ILE 104 -15.402 1.449 3.746 739 HG22 ILE 104 2HG2 ILE 104 -14.216 2.300 4.736 740 HG23 ILE 104 3HG2 ILE 104 -15.779 1.857 5.422 741 HD11 ILE 104 1HD1 ILE 104 -17.399 -1.309 6.150 742 HD12 ILE 104 2HD1 ILE 104 -17.133 0.406 5.834 743 HD13 ILE 104 3HD1 ILE 104 -16.305 -0.383 7.179 744 H THR 105 H THR 105 -12.127 0.709 2.213 745 HA THR 105 HA THR 105 -9.895 1.950 3.448 746 HB THR 105 HB THR 105 -9.693 3.009 1.071 747 HG1 THR 105 1HG THR 105 -11.317 2.586 -0.211 748 HG21 THR 105 1HG2 THR 105 -9.631 0.010 1.446 749 HG22 THR 105 2HG2 THR 105 -8.331 1.128 1.850 750 HG23 THR 105 3HG2 THR 105 -8.808 0.906 0.168 751 H GLU 106 H GLU 106 -9.390 4.319 2.652 752 HA GLU 106 HA GLU 106 -10.811 6.018 4.314 753 HB2 GLU 106 1HB GLU 106 -8.973 6.589 1.991 754 HB3 GLU 106 2HB GLU 106 -9.636 7.867 3.002 755 HG2 GLU 106 1HG GLU 106 -7.956 5.572 4.010 756 HG3 GLU 106 2HG GLU 106 -7.348 7.186 3.650 757 H ASP 107 H ASP 107 -11.604 5.045 1.108 758 HA ASP 107 HA ASP 107 -13.064 7.216 0.148 759 HB2 ASP 107 1HB ASP 107 -13.745 4.281 -0.236 760 HB3 ASP 107 2HB ASP 107 -14.241 5.612 -1.276 761 H GLY 108 H GLY 108 -14.208 4.428 2.043 762 HA2 GLY 108 1HA GLY 108 -16.856 5.472 2.387 763 HA3 GLY 108 2HA GLY 108 -16.159 4.089 3.223 764 H ARG 109 H ARG 109 -13.856 5.723 4.098 765 HA ARG 109 HA ARG 109 -14.816 6.487 6.642 766 HB2 ARG 109 1HB ARG 109 -12.199 6.980 5.214 767 HB3 ARG 109 2HB ARG 109 -12.481 7.443 6.887 768 HG2 ARG 109 1HG ARG 109 -12.894 4.606 5.988 769 HG3 ARG 109 2HG ARG 109 -11.287 5.210 6.397 770 HD2 ARG 109 1HD ARG 109 -13.673 5.381 8.240 771 HD3 ARG 109 2HD ARG 109 -12.478 4.083 8.287 772 HE ARG 109 HE ARG 109 -10.801 5.752 8.849 773 HH11 ARG 109 1HH1 ARG 109 -14.143 6.745 9.187 774 HH12 ARG 109 2HH1 ARG 109 -13.776 8.018 10.304 775 HH21 ARG 109 1HH2 ARG 109 -10.330 7.393 10.337 776 HH22 ARG 109 2HH2 ARG 109 -11.607 8.385 10.969 777 H GLU 110 H GLU 110 -13.686 8.416 3.876 778 HA GLU 110 HA GLU 110 -14.149 10.906 5.250 779 HB2 GLU 110 1HB GLU 110 -12.250 10.647 3.734 780 HB3 GLU 110 2HB GLU 110 -13.342 10.329 2.395 781 HG2 GLU 110 1HG GLU 110 -12.519 12.584 2.257 782 HG3 GLU 110 2HG GLU 110 -14.245 12.610 2.612 783 H GLN 111 H GLN 111 -15.713 9.114 2.634 784 HA GLN 111 HA GLN 111 -17.454 11.408 2.130 785 HB2 GLN 111 1HB GLN 111 -17.237 8.863 0.525 786 HB3 GLN 111 2HB GLN 111 -17.910 10.408 0.012 787 HG2 GLN 111 1HG GLN 111 -15.627 11.406 0.295 788 HG3 GLN 111 2HG GLN 111 -15.019 9.780 0.591 789 HE21 GLN 111 1HE2 GLN 111 -14.271 9.730 -2.815 790 HE22 GLN 111 2HE2 GLN 111 -13.673 9.811 -1.194 791 H LEU 112 H LEU 112 -19.316 11.500 3.100 792 HA LEU 112 HA LEU 112 -20.941 9.080 3.479 793 HB2 LEU 112 1HB LEU 112 -21.575 9.723 5.703 794 HB3 LEU 112 2HB LEU 112 -19.826 9.659 5.631 795 HG LEU 112 HG LEU 112 -21.447 12.215 5.512 796 HD11 LEU 112 1HD1 LEU 112 -20.720 12.585 7.817 797 HD12 LEU 112 2HD1 LEU 112 -19.950 10.998 7.836 798 HD13 LEU 112 3HD1 LEU 112 -21.703 11.126 7.682 799 HD21 LEU 112 1HD2 LEU 112 -19.248 12.383 4.431 800 HD22 LEU 112 2HD2 LEU 112 -18.480 11.789 5.903 801 HD23 LEU 112 3HD2 LEU 112 -19.322 13.336 5.910 802 H ARG 113 H ARG 113 -23.292 9.738 4.027 803 HA ARG 113 HA ARG 113 -24.151 11.370 1.858 804 HB2 ARG 113 1HB ARG 113 -25.682 10.088 4.124 805 HB3 ARG 113 2HB ARG 113 -26.468 11.064 2.893 806 HG2 ARG 113 1HG ARG 113 -26.763 8.911 2.093 807 HG3 ARG 113 2HG ARG 113 -25.336 9.450 1.208 808 HD2 ARG 113 1HD ARG 113 -23.965 8.341 3.038 809 HD3 ARG 113 2HD ARG 113 -25.470 7.600 3.583 810 HE ARG 113 HE ARG 113 -23.866 6.801 1.384 811 HH11 ARG 113 1HH1 ARG 113 -27.212 6.974 2.430 812 HH12 ARG 113 2HH1 ARG 113 -27.726 5.688 1.385 813 HH21 ARG 113 1HH2 ARG 113 -24.541 5.106 0.039 814 HH22 ARG 113 2HH2 ARG 113 -26.210 4.628 0.016 815 H ALA 114 H ALA 114 -23.695 11.979 5.269 816 HA ALA 114 HA ALA 114 -25.182 14.365 5.490 817 HB1 ALA 114 1HB ALA 114 -23.898 14.784 7.512 818 HB2 ALA 114 2HB ALA 114 -22.715 13.565 7.040 819 HB3 ALA 114 3HB ALA 114 -24.369 13.086 7.427 820 H LEU 115 H LEU 115 -22.272 13.700 3.861 821 HA LEU 115 HA LEU 115 -21.115 16.328 3.969 822 HB2 LEU 115 1HB LEU 115 -19.854 14.184 3.582 823 HB3 LEU 115 2HB LEU 115 -20.585 14.086 1.997 824 HG LEU 115 HG LEU 115 -18.918 16.480 2.764 825 HD11 LEU 115 1HD1 LEU 115 -17.552 14.510 3.255 826 HD12 LEU 115 2HD1 LEU 115 -16.955 15.356 1.827 827 HD13 LEU 115 3HD1 LEU 115 -17.885 13.868 1.645 828 HD21 LEU 115 1HD2 LEU 115 -19.492 15.139 0.111 829 HD22 LEU 115 2HD2 LEU 115 -18.495 16.576 0.350 830 HD23 LEU 115 3HD2 LEU 115 -20.221 16.634 0.696 831 H GLY 116 H GLY 116 -23.514 14.717 2.083 832 HA2 GLY 116 1HA GLY 116 -23.331 16.391 -0.241 833 HA3 GLY 116 2HA GLY 116 -24.612 15.246 0.128 834 H PHE 117 H PHE 117 -23.495 18.526 0.508 835 HA PHE 117 HA PHE 117 -26.274 19.309 1.118 836 HB2 PHE 117 2HB PHE 117 -25.446 21.222 2.396 837 HB3 PHE 117 1HB PHE 117 -24.818 19.728 3.076 838 HD1 PHE 117 1HD PHE 117 -22.445 19.176 2.898 839 HD2 PHE 117 2HD PHE 117 -23.971 22.837 1.339 840 HE1 PHE 117 1HE PHE 117 -20.155 20.068 2.749 841 HE2 PHE 117 2HE PHE 117 -21.686 23.729 1.186 842 HZ PHE 117 HZ PHE 117 -19.775 22.344 1.892 843 H THR 118 H THR 118 -26.946 21.347 0.200 844 HA THR 118 HA THR 118 -25.710 21.812 -2.405 845 HB THR 118 HB THR 118 -28.272 22.976 -1.268 846 HG1 THR 118 1HG THR 118 -28.473 20.738 -1.420 847 HG21 THR 118 1HG2 THR 118 -27.246 22.804 -4.113 848 HG22 THR 118 2HG2 THR 118 -27.393 24.274 -3.149 849 HG23 THR 118 3HG2 THR 118 -28.840 23.390 -3.635 850 H VAL 119 H VAL 119 -25.074 23.896 -3.113 851 HA VAL 119 HA VAL 119 -23.539 25.365 -1.337 852 HB VAL 119 HB VAL 119 -23.095 25.433 -3.715 853 HG11 VAL 119 1HG1 VAL 119 -25.383 25.328 -4.560 854 HG12 VAL 119 2HG1 VAL 119 -24.503 26.669 -5.294 855 HG13 VAL 119 3HG1 VAL 119 -25.674 26.980 -4.013 856 HG21 VAL 119 1HG2 VAL 119 -22.285 27.315 -2.398 857 HG22 VAL 119 2HG2 VAL 119 -23.798 28.182 -2.671 858 HG23 VAL 119 3HG2 VAL 119 -22.718 27.842 -4.025 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 17.179 1.207 2.314 2 H2 GLY 1 2H GLY 1 15.750 0.306 2.329 3 H3 GLY 1 3H GLY 1 16.726 0.317 0.951 4 HA2 GLY 1 1HA GLY 1 18.504 -0.779 2.177 5 HA3 GLY 1 2HA GLY 1 17.453 -0.829 3.585 6 HA PRO 2 HA PRO 2 16.873 -4.725 1.130 7 HB2 PRO 2 2HB PRO 2 17.375 -6.503 3.085 8 HB3 PRO 2 1HB PRO 2 18.679 -5.699 2.202 9 HG2 PRO 2 2HG PRO 2 17.555 -5.068 4.913 10 HG3 PRO 2 1HG PRO 2 19.250 -5.127 4.390 11 HD2 PRO 2 2HD PRO 2 17.803 -2.803 4.624 12 HD3 PRO 2 1HD PRO 2 19.182 -3.000 3.521 13 H GLY 3 H GLY 3 15.223 -6.354 1.292 14 HA2 GLY 3 1HA GLY 3 13.413 -6.676 3.388 15 HA3 GLY 3 2HA GLY 3 12.775 -5.406 2.350 16 H SER 4 H SER 4 11.671 -5.981 0.569 17 HA SER 4 HA SER 4 12.083 -8.516 -0.745 18 HB2 SER 4 1HB SER 4 9.411 -7.918 0.570 19 HB3 SER 4 2HB SER 4 9.776 -9.313 -0.448 20 HG SER 4 HG SER 4 11.581 -9.519 1.295 21 H MET 5 H MET 5 10.636 -8.692 -2.689 22 HA MET 5 HA MET 5 10.199 -6.043 -3.851 23 HB2 MET 5 1HB MET 5 10.146 -8.799 -5.117 24 HB3 MET 5 2HB MET 5 9.916 -7.289 -5.988 25 HG2 MET 5 1HG MET 5 12.186 -6.591 -5.311 26 HG3 MET 5 2HG MET 5 12.411 -8.158 -4.537 27 HE1 MET 5 1HE MET 5 12.267 -10.595 -7.619 28 HE2 MET 5 2HE MET 5 10.907 -10.106 -6.609 29 HE3 MET 5 3HE MET 5 12.467 -10.471 -5.871 30 H SER 6 H SER 6 8.435 -9.125 -4.097 31 HA SER 6 HA SER 6 6.278 -9.709 -3.790 32 HB2 SER 6 1HB SER 6 5.999 -7.024 -2.415 33 HB3 SER 6 2HB SER 6 4.805 -8.323 -2.371 34 HG SER 6 HG SER 6 6.877 -9.549 -1.615 35 H GLU 7 H GLU 7 6.315 -6.233 -4.652 36 HA GLU 7 HA GLU 7 3.943 -6.247 -6.127 37 HB2 GLU 7 1HB GLU 7 5.720 -4.328 -5.316 38 HB3 GLU 7 2HB GLU 7 6.047 -4.376 -7.041 39 HG2 GLU 7 1HG GLU 7 3.436 -3.756 -5.676 40 HG3 GLU 7 2HG GLU 7 4.439 -2.671 -6.638 41 H THR 8 H THR 8 3.505 -6.471 -8.327 42 HA THR 8 HA THR 8 5.555 -7.014 -10.260 43 HB THR 8 HB THR 8 5.534 -9.173 -9.064 44 HG1 THR 8 1HG THR 8 4.390 -9.269 -11.674 45 HG21 THR 8 1HG2 THR 8 2.633 -9.340 -9.903 46 HG22 THR 8 2HG2 THR 8 3.221 -9.143 -8.251 47 HG23 THR 8 3HG2 THR 8 3.562 -10.629 -9.139 48 H SER 9 H SER 9 3.024 -5.385 -9.785 49 HA SER 9 HA SER 9 1.100 -6.459 -11.670 50 HB2 SER 9 1HB SER 9 1.129 -3.838 -10.146 51 HB3 SER 9 2HB SER 9 -0.231 -4.456 -11.087 52 HG SER 9 HG SER 9 0.793 -5.315 -8.630 53 H ALA 10 H ALA 10 3.885 -5.428 -12.473 54 HA ALA 10 HA ALA 10 2.965 -3.970 -14.834 55 HB1 ALA 10 1HB ALA 10 3.611 -2.219 -13.255 56 HB2 ALA 10 2HB ALA 10 4.744 -2.286 -14.605 57 HB3 ALA 10 3HB ALA 10 5.190 -2.976 -13.044 58 HA PRO 11 HA PRO 11 5.935 -6.514 -16.975 59 HB2 PRO 11 2HB PRO 11 6.874 -4.784 -18.889 60 HB3 PRO 11 1HB PRO 11 5.295 -5.576 -18.973 61 HG2 PRO 11 2HG PRO 11 5.980 -2.808 -18.049 62 HG3 PRO 11 1HG PRO 11 4.643 -3.344 -19.086 63 HD2 PRO 11 2HD PRO 11 4.276 -2.798 -16.476 64 HD3 PRO 11 1HD PRO 11 3.386 -4.102 -17.289 65 H ALA 12 H ALA 12 8.320 -6.328 -17.882 66 HA ALA 12 HA ALA 12 9.929 -6.320 -15.643 67 HB1 ALA 12 1HB ALA 12 10.452 -7.510 -17.716 68 HB2 ALA 12 2HB ALA 12 11.821 -6.554 -17.151 69 HB3 ALA 12 3HB ALA 12 10.840 -5.975 -18.498 70 H GLU 13 H GLU 13 10.184 -3.878 -18.261 71 HA GLU 13 HA GLU 13 12.102 -2.329 -16.871 72 HB2 GLU 13 1HB GLU 13 10.284 -1.501 -19.149 73 HB3 GLU 13 2HB GLU 13 11.664 -0.580 -18.577 74 HG2 GLU 13 1HG GLU 13 12.349 -1.704 -20.532 75 HG3 GLU 13 2HG GLU 13 13.111 -2.534 -19.177 76 H GLU 14 H GLU 14 8.630 -1.952 -17.326 77 HA GLU 14 HA GLU 14 8.339 0.559 -16.095 78 HB2 GLU 14 1HB GLU 14 6.682 -0.485 -17.608 79 HB3 GLU 14 2HB GLU 14 6.325 -1.688 -16.379 80 HG2 GLU 14 1HG GLU 14 5.332 -0.060 -14.953 81 HG3 GLU 14 2HG GLU 14 5.923 1.267 -15.956 82 H LEU 15 H LEU 15 7.973 -2.729 -14.833 83 HA LEU 15 HA LEU 15 7.041 -2.095 -12.283 84 HB2 LEU 15 1HB LEU 15 7.080 -4.369 -13.356 85 HB3 LEU 15 2HB LEU 15 8.796 -4.449 -13.024 86 HG LEU 15 HG LEU 15 7.250 -5.718 -11.447 87 HD11 LEU 15 1HD1 LEU 15 9.128 -3.707 -10.207 88 HD12 LEU 15 2HD1 LEU 15 9.579 -5.274 -10.875 89 HD13 LEU 15 3HD1 LEU 15 8.544 -5.189 -9.451 90 HD21 LEU 15 1HD2 LEU 15 5.522 -3.995 -11.241 91 HD22 LEU 15 2HD2 LEU 15 6.666 -2.943 -10.405 92 HD23 LEU 15 3HD2 LEU 15 6.164 -4.465 -9.668 93 H LEU 16 H LEU 16 10.371 -2.577 -13.449 94 HA LEU 16 HA LEU 16 11.688 -2.469 -11.008 95 HB2 LEU 16 1HB LEU 16 12.774 -3.096 -13.109 96 HB3 LEU 16 2HB LEU 16 12.640 -1.447 -13.690 97 HG LEU 16 HG LEU 16 14.178 -0.690 -11.921 98 HD11 LEU 16 1HD1 LEU 16 14.365 -3.616 -11.194 99 HD12 LEU 16 2HD1 LEU 16 13.671 -2.330 -10.205 100 HD13 LEU 16 3HD1 LEU 16 15.398 -2.331 -10.563 101 HD21 LEU 16 1HD2 LEU 16 15.090 -1.322 -14.094 102 HD22 LEU 16 2HD2 LEU 16 15.265 -2.991 -13.550 103 HD23 LEU 16 3HD2 LEU 16 16.218 -1.712 -12.796 104 H ALA 17 H ALA 17 11.231 0.263 -13.261 105 HA ALA 17 HA ALA 17 12.386 2.172 -11.517 106 HB1 ALA 17 1HB ALA 17 12.322 2.465 -13.948 107 HB2 ALA 17 2HB ALA 17 11.585 3.836 -13.117 108 HB3 ALA 17 3HB ALA 17 10.566 2.618 -13.887 109 H ASP 18 H ASP 18 9.021 1.288 -12.241 110 HA ASP 18 HA ASP 18 7.924 3.476 -10.777 111 HB2 ASP 18 1HB ASP 18 6.795 2.128 -12.661 112 HB3 ASP 18 2HB ASP 18 6.400 0.951 -11.408 113 H VAL 19 H VAL 19 8.462 0.048 -10.023 114 HA VAL 19 HA VAL 19 7.310 0.204 -7.429 115 HB VAL 19 HB VAL 19 7.858 -1.953 -8.788 116 HG11 VAL 19 1HG1 VAL 19 10.470 -1.629 -7.301 117 HG12 VAL 19 2HG1 VAL 19 10.263 -1.571 -9.052 118 HG13 VAL 19 3HG1 VAL 19 9.944 -3.068 -8.176 119 HG21 VAL 19 1HG2 VAL 19 6.790 -1.959 -6.608 120 HG22 VAL 19 2HG2 VAL 19 8.357 -1.801 -5.813 121 HG23 VAL 19 3HG2 VAL 19 7.966 -3.269 -6.713 122 H GLU 20 H GLU 20 10.552 0.759 -8.731 123 HA GLU 20 HA GLU 20 11.932 1.110 -6.329 124 HB2 GLU 20 1HB GLU 20 13.034 1.193 -8.532 125 HB3 GLU 20 2HB GLU 20 12.218 2.709 -8.891 126 HG2 GLU 20 1HG GLU 20 13.400 3.783 -7.028 127 HG3 GLU 20 2HG GLU 20 14.231 2.265 -6.689 128 H GLU 21 H GLU 21 10.055 3.473 -8.227 129 HA GLU 21 HA GLU 21 10.203 5.590 -6.382 130 HB2 GLU 21 1HB GLU 21 8.151 4.887 -8.484 131 HB3 GLU 21 2HB GLU 21 8.042 6.352 -7.515 132 HG2 GLU 21 1HG GLU 21 10.370 5.620 -9.286 133 HG3 GLU 21 2HG GLU 21 9.068 6.725 -9.726 134 H ALA 22 H ALA 22 7.693 3.086 -6.760 135 HA ALA 22 HA ALA 22 5.933 3.988 -4.807 136 HB1 ALA 22 1HB ALA 22 5.013 1.723 -4.793 137 HB2 ALA 22 2HB ALA 22 6.442 1.134 -5.643 138 HB3 ALA 22 3HB ALA 22 5.348 2.265 -6.438 139 H MET 23 H MET 23 8.544 1.634 -4.508 140 HA MET 23 HA MET 23 8.238 1.154 -1.736 141 HB2 MET 23 1HB MET 23 10.600 0.784 -3.578 142 HB3 MET 23 2HB MET 23 10.531 0.166 -1.931 143 HG2 MET 23 1HG MET 23 8.711 -0.624 -4.205 144 HG3 MET 23 2HG MET 23 10.048 -1.576 -3.564 145 HE1 MET 23 1HE MET 23 6.903 -3.604 -2.435 146 HE2 MET 23 2HE MET 23 8.434 -3.648 -3.309 147 HE3 MET 23 3HE MET 23 7.089 -2.697 -3.938 148 H ARG 24 H ARG 24 9.430 3.792 -3.455 149 HA ARG 24 HA ARG 24 11.217 4.746 -1.330 150 HB2 ARG 24 1HB ARG 24 12.052 4.885 -3.596 151 HB3 ARG 24 2HB ARG 24 10.586 5.676 -4.144 152 HG2 ARG 24 1HG ARG 24 11.193 7.637 -2.725 153 HG3 ARG 24 2HG ARG 24 12.733 6.838 -2.380 154 HD2 ARG 24 1HD ARG 24 13.298 6.820 -4.735 155 HD3 ARG 24 2HD ARG 24 11.719 7.486 -5.153 156 HE ARG 24 HE ARG 24 13.500 9.046 -3.426 157 HH11 ARG 24 1HH1 ARG 24 11.932 8.625 -6.542 158 HH12 ARG 24 2HH1 ARG 24 12.276 10.247 -7.058 159 HH21 ARG 24 1HH2 ARG 24 13.957 11.167 -4.127 160 HH22 ARG 24 2HH2 ARG 24 13.440 11.677 -5.706 161 H ASP 25 H ASP 25 7.966 4.840 -2.081 162 HA ASP 25 HA ASP 25 7.622 7.572 -0.990 163 HB2 ASP 25 1HB ASP 25 7.037 7.280 -3.439 164 HB3 ASP 25 2HB ASP 25 5.762 6.177 -2.935 165 H VAL 26 H VAL 26 6.700 4.257 -0.961 166 HA VAL 26 HA VAL 26 4.496 4.611 0.885 167 HB VAL 26 HB VAL 26 5.693 2.229 -0.541 168 HG11 VAL 26 1HG1 VAL 26 4.973 1.474 1.639 169 HG12 VAL 26 2HG1 VAL 26 3.886 0.874 0.389 170 HG13 VAL 26 3HG1 VAL 26 3.395 2.227 1.408 171 HG21 VAL 26 1HG2 VAL 26 3.520 2.173 -1.682 172 HG22 VAL 26 2HG2 VAL 26 4.324 3.725 -1.909 173 HG23 VAL 26 3HG2 VAL 26 2.993 3.581 -0.759 174 H VAL 27 H VAL 27 7.828 3.509 0.859 175 HA VAL 27 HA VAL 27 7.773 2.272 3.448 176 HB VAL 27 HB VAL 27 9.430 1.945 1.415 177 HG11 VAL 27 1HG1 VAL 27 11.558 3.094 1.679 178 HG12 VAL 27 2HG1 VAL 27 10.894 4.051 3.002 179 HG13 VAL 27 3HG1 VAL 27 10.256 4.241 1.369 180 HG21 VAL 27 1HG2 VAL 27 10.380 1.857 4.275 181 HG22 VAL 27 2HG2 VAL 27 11.101 0.991 2.921 182 HG23 VAL 27 3HG2 VAL 27 9.462 0.602 3.443 183 H ASP 28 H ASP 28 9.456 3.125 5.186 184 HA ASP 28 HA ASP 28 9.109 6.048 5.419 185 HB2 ASP 28 1HB ASP 28 8.284 4.766 7.353 186 HB3 ASP 28 2HB ASP 28 9.872 4.031 7.557 187 HA PRO 29 HA PRO 29 13.554 5.831 4.526 188 HB2 PRO 29 2HB PRO 29 13.648 7.938 2.834 189 HB3 PRO 29 1HB PRO 29 13.086 6.346 2.326 190 HG2 PRO 29 2HG PRO 29 11.540 8.814 2.800 191 HG3 PRO 29 1HG PRO 29 11.143 7.409 1.795 192 HD2 PRO 29 2HD PRO 29 10.211 8.012 4.450 193 HD3 PRO 29 1HD PRO 29 9.820 6.601 3.447 194 H GLU 30 H GLU 30 11.640 7.831 6.305 195 HA GLU 30 HA GLU 30 13.383 10.011 6.829 196 HB2 GLU 30 1HB GLU 30 11.172 8.840 8.541 197 HB3 GLU 30 2HB GLU 30 11.955 10.393 8.815 198 HG2 GLU 30 1HG GLU 30 10.245 9.614 6.459 199 HG3 GLU 30 2HG GLU 30 9.838 10.754 7.743 200 H LEU 31 H LEU 31 12.591 7.128 8.780 201 HA LEU 31 HA LEU 31 15.244 7.346 10.060 202 HB2 LEU 31 1HB LEU 31 12.741 5.969 11.050 203 HB3 LEU 31 2HB LEU 31 14.284 5.979 11.887 204 HG LEU 31 HG LEU 31 12.533 8.387 11.348 205 HD11 LEU 31 1HD1 LEU 31 12.248 8.434 13.777 206 HD12 LEU 31 2HD1 LEU 31 13.200 6.955 13.921 207 HD13 LEU 31 3HD1 LEU 31 11.648 6.927 13.085 208 HD21 LEU 31 1HD2 LEU 31 14.139 9.634 12.710 209 HD22 LEU 31 2HD2 LEU 31 14.902 8.984 11.260 210 HD23 LEU 31 3HD2 LEU 31 15.166 8.204 12.821 211 H GLY 32 H GLY 32 13.381 5.551 7.885 212 HA2 GLY 32 1HA GLY 32 14.328 3.955 6.450 213 HA3 GLY 32 2HA GLY 32 15.582 3.647 7.639 214 H ILE 33 H ILE 33 12.004 3.525 7.775 215 HA ILE 33 HA ILE 33 12.266 0.748 8.766 216 HB ILE 33 HB ILE 33 9.922 2.637 9.074 217 HG12 ILE 33 1HG1 ILE 33 10.417 2.268 11.561 218 HG13 ILE 33 2HG1 ILE 33 11.952 1.579 11.051 219 HG21 ILE 33 1HG2 ILE 33 8.886 0.870 10.441 220 HG22 ILE 33 2HG2 ILE 33 10.204 -0.216 10.002 221 HG23 ILE 33 3HG2 ILE 33 9.106 0.386 8.760 222 HD11 ILE 33 1HD1 ILE 33 12.586 3.690 10.050 223 HD12 ILE 33 2HD1 ILE 33 12.161 3.900 11.749 224 HD13 ILE 33 3HD1 ILE 33 11.025 4.383 10.489 225 H ASN 34 H ASN 34 11.166 -0.871 7.789 226 HA ASN 34 HA ASN 34 10.000 -0.254 5.150 227 HB2 ASN 34 1HB ASN 34 11.561 -2.738 5.937 228 HB3 ASN 34 2HB ASN 34 10.889 -2.399 4.348 229 HD21 ASN 34 1HD2 ASN 34 14.572 -1.578 4.643 230 HD22 ASN 34 2HD2 ASN 34 13.640 -2.937 5.164 231 H VAL 35 H VAL 35 7.858 -0.520 5.315 232 HA VAL 35 HA VAL 35 6.491 -1.865 7.319 233 HB VAL 35 HB VAL 35 5.478 -1.436 4.495 234 HG11 VAL 35 1HG1 VAL 35 4.055 -2.907 5.812 235 HG12 VAL 35 2HG1 VAL 35 3.263 -1.353 5.561 236 HG13 VAL 35 3HG1 VAL 35 4.004 -1.723 7.118 237 HG21 VAL 35 1HG2 VAL 35 5.429 0.454 6.858 238 HG22 VAL 35 2HG2 VAL 35 4.603 0.716 5.320 239 HG23 VAL 35 3HG2 VAL 35 6.364 0.652 5.374 240 H VAL 36 H VAL 36 7.596 -3.058 4.188 241 HA VAL 36 HA VAL 36 6.219 -5.483 4.104 242 HB VAL 36 HB VAL 36 7.447 -4.530 2.185 243 HG11 VAL 36 1HG1 VAL 36 9.866 -4.802 1.980 244 HG12 VAL 36 2HG1 VAL 36 9.942 -5.469 3.611 245 HG13 VAL 36 3HG1 VAL 36 9.463 -3.788 3.367 246 HG21 VAL 36 1HG2 VAL 36 8.299 -6.644 1.281 247 HG22 VAL 36 2HG2 VAL 36 6.781 -6.884 2.146 248 HG23 VAL 36 3HG2 VAL 36 8.308 -7.340 2.902 249 H ASP 37 H ASP 37 8.920 -4.518 6.028 250 HA ASP 37 HA ASP 37 10.109 -7.040 6.510 251 HB2 ASP 37 1HB ASP 37 11.262 -4.904 6.934 252 HB3 ASP 37 2HB ASP 37 10.118 -4.533 8.218 253 H LEU 38 H LEU 38 7.289 -5.467 7.800 254 HA LEU 38 HA LEU 38 7.043 -7.007 10.193 255 HB2 LEU 38 1HB LEU 38 5.052 -5.429 8.562 256 HB3 LEU 38 2HB LEU 38 4.584 -6.307 10.003 257 HG LEU 38 HG LEU 38 4.897 -3.962 10.528 258 HD11 LEU 38 1HD1 LEU 38 5.476 -5.605 12.247 259 HD12 LEU 38 2HD1 LEU 38 6.458 -4.149 12.380 260 HD13 LEU 38 3HD1 LEU 38 7.148 -5.613 11.679 261 HD21 LEU 38 1HD2 LEU 38 7.054 -2.845 10.334 262 HD22 LEU 38 2HD2 LEU 38 6.486 -3.375 8.752 263 HD23 LEU 38 3HD2 LEU 38 7.751 -4.281 9.583 264 H GLY 39 H GLY 39 6.728 -7.784 6.955 265 HA2 GLY 39 1HA GLY 39 6.264 -9.739 5.884 266 HA3 GLY 39 2HA GLY 39 6.274 -10.505 7.461 267 H LEU 40 H LEU 40 3.983 -7.973 7.028 268 HA LEU 40 HA LEU 40 1.825 -9.923 6.659 269 HB2 LEU 40 1HB LEU 40 1.528 -8.354 8.487 270 HB3 LEU 40 2HB LEU 40 1.758 -6.995 7.404 271 HG LEU 40 HG LEU 40 -0.346 -7.548 6.245 272 HD11 LEU 40 1HD1 LEU 40 -0.367 -9.964 6.585 273 HD12 LEU 40 2HD1 LEU 40 -1.873 -9.232 7.145 274 HD13 LEU 40 3HD1 LEU 40 -0.642 -9.731 8.312 275 HD21 LEU 40 1HD2 LEU 40 -0.376 -5.993 8.137 276 HD22 LEU 40 2HD2 LEU 40 -0.674 -7.339 9.238 277 HD23 LEU 40 3HD2 LEU 40 -1.879 -6.907 8.024 278 H VAL 41 H VAL 41 3.524 -7.388 5.042 279 HA VAL 41 HA VAL 41 1.547 -6.543 3.224 280 HB VAL 41 HB VAL 41 4.554 -6.401 2.882 281 HG11 VAL 41 1HG1 VAL 41 4.075 -4.438 1.471 282 HG12 VAL 41 2HG1 VAL 41 2.346 -4.746 1.641 283 HG13 VAL 41 3HG1 VAL 41 3.371 -5.914 0.808 284 HG21 VAL 41 1HG2 VAL 41 2.661 -4.441 4.193 285 HG22 VAL 41 2HG2 VAL 41 4.382 -4.177 3.909 286 HG23 VAL 41 3HG2 VAL 41 3.856 -5.441 5.022 287 H TYR 42 H TYR 42 3.384 -9.424 3.299 288 HA TYR 42 HA TYR 42 3.524 -10.048 0.554 289 HB2 TYR 42 2HB TYR 42 3.202 -11.904 2.932 290 HB3 TYR 42 1HB TYR 42 3.604 -12.429 1.301 291 HD1 TYR 42 1HD TYR 42 4.914 -11.354 4.430 292 HD2 TYR 42 2HD TYR 42 5.770 -11.450 0.260 293 HE1 TYR 42 1HE TYR 42 7.304 -11.055 4.916 294 HE2 TYR 42 2HE TYR 42 8.162 -11.151 0.738 295 HH TYR 42 HH TYR 42 9.580 -10.254 2.540 296 H GLY 43 H GLY 43 0.915 -9.927 2.793 297 HA2 GLY 43 1HA GLY 43 -0.921 -11.538 1.272 298 HA3 GLY 43 2HA GLY 43 -1.311 -10.511 2.644 299 H LEU 44 H LEU 44 -0.289 -10.268 -0.742 300 HA LEU 44 HA LEU 44 -2.308 -8.164 -1.105 301 HB2 LEU 44 1HB LEU 44 -0.782 -7.185 -2.858 302 HB3 LEU 44 2HB LEU 44 -0.260 -7.000 -1.198 303 HG LEU 44 HG LEU 44 1.231 -9.074 -1.641 304 HD11 LEU 44 1HD1 LEU 44 0.264 -9.779 -3.751 305 HD12 LEU 44 2HD1 LEU 44 1.953 -9.329 -3.977 306 HD13 LEU 44 3HD1 LEU 44 0.673 -8.228 -4.484 307 HD21 LEU 44 1HD2 LEU 44 2.105 -6.829 -1.284 308 HD22 LEU 44 2HD2 LEU 44 1.831 -6.434 -2.982 309 HD23 LEU 44 3HD2 LEU 44 3.018 -7.661 -2.542 310 H ASP 45 H ASP 45 -3.480 -8.216 -3.009 311 HA ASP 45 HA ASP 45 -3.018 -10.156 -5.072 312 HB2 ASP 45 1HB ASP 45 -3.960 -11.512 -3.121 313 HB3 ASP 45 2HB ASP 45 -5.446 -10.584 -3.300 314 H VAL 46 H VAL 46 -4.229 -9.583 -6.909 315 HA VAL 46 HA VAL 46 -6.011 -7.250 -6.556 316 HB VAL 46 HB VAL 46 -4.123 -7.690 -8.871 317 HG11 VAL 46 1HG1 VAL 46 -4.703 -5.406 -9.518 318 HG12 VAL 46 2HG1 VAL 46 -5.841 -5.317 -8.174 319 HG13 VAL 46 3HG1 VAL 46 -6.124 -6.451 -9.494 320 HG21 VAL 46 1HG2 VAL 46 -2.860 -7.190 -6.848 321 HG22 VAL 46 2HG2 VAL 46 -3.862 -5.766 -6.568 322 HG23 VAL 46 3HG2 VAL 46 -2.803 -5.835 -7.977 323 H GLN 47 H GLN 47 -7.938 -7.340 -7.535 324 HA GLN 47 HA GLN 47 -8.470 -9.604 -9.358 325 HB2 GLN 47 1HB GLN 47 -10.254 -8.311 -7.287 326 HB3 GLN 47 2HB GLN 47 -10.884 -9.351 -8.554 327 HG2 GLN 47 1HG GLN 47 -10.675 -10.834 -6.825 328 HG3 GLN 47 2HG GLN 47 -9.136 -11.062 -7.647 329 HE21 GLN 47 1HE2 GLN 47 -8.723 -10.708 -3.937 330 HE22 GLN 47 2HE2 GLN 47 -9.792 -11.644 -4.918 331 H ASP 48 H ASP 48 -9.034 -9.127 -11.353 332 HA ASP 48 HA ASP 48 -9.788 -6.453 -12.163 333 HB2 ASP 48 1HB ASP 48 -9.667 -9.057 -13.724 334 HB3 ASP 48 2HB ASP 48 -10.038 -7.490 -14.433 335 H GLY 49 H GLY 49 -11.818 -5.766 -11.794 336 HA2 GLY 49 1HA GLY 49 -14.035 -7.678 -12.255 337 HA3 GLY 49 2HA GLY 49 -14.069 -6.471 -10.974 338 H ASP 50 H ASP 50 -16.031 -6.733 -13.004 339 HA ASP 50 HA ASP 50 -15.596 -4.725 -15.009 340 HB2 ASP 50 1HB ASP 50 -18.082 -6.188 -14.093 341 HB3 ASP 50 2HB ASP 50 -18.100 -4.986 -15.380 342 H GLU 51 H GLU 51 -16.762 -4.784 -11.751 343 HA GLU 51 HA GLU 51 -17.917 -2.131 -11.876 344 HB2 GLU 51 1HB GLU 51 -18.176 -2.376 -9.422 345 HB3 GLU 51 2HB GLU 51 -18.879 -3.716 -10.315 346 HG2 GLU 51 1HG GLU 51 -16.927 -5.097 -9.798 347 HG3 GLU 51 2HG GLU 51 -16.216 -3.752 -8.903 348 H GLY 52 H GLY 52 -14.824 -3.472 -11.527 349 HA2 GLY 52 1HA GLY 52 -13.339 -1.219 -11.722 350 HA3 GLY 52 2HA GLY 52 -13.641 -1.334 -9.992 351 H THR 53 H THR 53 -11.074 -1.475 -11.188 352 HA THR 53 HA THR 53 -10.298 -4.301 -10.894 353 HB THR 53 HB THR 53 -8.488 -1.988 -11.645 354 HG1 THR 53 1HG THR 53 -10.093 -2.048 -13.207 355 HG21 THR 53 1HG2 THR 53 -8.274 -4.960 -12.192 356 HG22 THR 53 2HG2 THR 53 -7.390 -4.091 -10.938 357 HG23 THR 53 3HG2 THR 53 -7.093 -3.727 -12.638 358 H VAL 54 H VAL 54 -10.025 -4.811 -8.779 359 HA VAL 54 HA VAL 54 -9.231 -2.634 -6.954 360 HB VAL 54 HB VAL 54 -10.595 -5.247 -6.244 361 HG11 VAL 54 1HG1 VAL 54 -10.171 -2.713 -4.648 362 HG12 VAL 54 2HG1 VAL 54 -9.367 -4.261 -4.385 363 HG13 VAL 54 3HG1 VAL 54 -11.103 -4.113 -4.117 364 HG21 VAL 54 1HG2 VAL 54 -12.664 -3.941 -6.043 365 HG22 VAL 54 2HG2 VAL 54 -12.040 -3.903 -7.692 366 HG23 VAL 54 3HG2 VAL 54 -11.821 -2.508 -6.634 367 H ALA 55 H ALA 55 -7.273 -2.680 -6.131 368 HA ALA 55 HA ALA 55 -5.747 -5.194 -6.025 369 HB1 ALA 55 1HB ALA 55 -3.815 -3.748 -5.565 370 HB2 ALA 55 2HB ALA 55 -4.863 -2.330 -5.526 371 HB3 ALA 55 3HB ALA 55 -4.653 -3.231 -7.029 372 H LEU 56 H LEU 56 -5.914 -6.309 -4.174 373 HA LEU 56 HA LEU 56 -6.690 -5.000 -1.675 374 HB2 LEU 56 1HB LEU 56 -6.311 -7.954 -2.222 375 HB3 LEU 56 2HB LEU 56 -7.119 -7.232 -0.840 376 HG LEU 56 HG LEU 56 -8.105 -7.111 -3.699 377 HD11 LEU 56 1HD1 LEU 56 -9.835 -8.657 -2.986 378 HD12 LEU 56 2HD1 LEU 56 -9.139 -8.720 -1.365 379 HD13 LEU 56 3HD1 LEU 56 -8.238 -9.361 -2.738 380 HD21 LEU 56 1HD2 LEU 56 -8.776 -5.149 -2.431 381 HD22 LEU 56 2HD2 LEU 56 -9.384 -6.172 -1.129 382 HD23 LEU 56 3HD2 LEU 56 -10.162 -6.201 -2.712 383 H ILE 57 H ILE 57 -5.256 -4.548 -0.110 384 HA ILE 57 HA ILE 57 -2.776 -6.131 0.082 385 HB ILE 57 HB ILE 57 -2.901 -3.109 0.404 386 HG12 ILE 57 1HG1 ILE 57 -1.081 -3.298 -1.477 387 HG13 ILE 57 2HG1 ILE 57 -1.823 -4.860 -1.802 388 HG21 ILE 57 1HG2 ILE 57 -1.375 -4.097 2.002 389 HG22 ILE 57 2HG2 ILE 57 -0.464 -3.253 0.750 390 HG23 ILE 57 3HG2 ILE 57 -0.577 -5.013 0.722 391 HD11 ILE 57 1HD1 ILE 57 -3.192 -2.179 -1.894 392 HD12 ILE 57 2HD1 ILE 57 -3.972 -3.734 -2.181 393 HD13 ILE 57 3HD1 ILE 57 -2.712 -3.165 -3.274 394 H ASP 58 H ASP 58 -2.479 -6.912 2.099 395 HA ASP 58 HA ASP 58 -4.157 -5.949 4.276 396 HB2 ASP 58 1HB ASP 58 -2.365 -8.335 3.911 397 HB3 ASP 58 2HB ASP 58 -2.854 -7.850 5.531 398 H MET 59 H MET 59 -3.530 -4.652 5.850 399 HA MET 59 HA MET 59 -0.697 -4.384 6.517 400 HB2 MET 59 1HB MET 59 -2.498 -2.043 5.846 401 HB3 MET 59 2HB MET 59 -0.942 -1.889 6.646 402 HG2 MET 59 1HG MET 59 0.101 -2.980 4.652 403 HG3 MET 59 2HG MET 59 -1.468 -2.875 3.853 404 HE1 MET 59 1HE MET 59 0.192 -0.257 6.326 405 HE2 MET 59 2HE MET 59 1.051 0.764 5.170 406 HE3 MET 59 3HE MET 59 1.534 -0.917 5.387 407 H THR 60 H THR 60 -0.488 -2.975 8.553 408 HA THR 60 HA THR 60 -2.807 -3.045 10.299 409 HB THR 60 HB THR 60 -1.811 -5.276 10.638 410 HG1 THR 60 1HG THR 60 -2.586 -4.759 12.548 411 HG21 THR 60 1HG2 THR 60 0.424 -5.518 11.616 412 HG22 THR 60 2HG2 THR 60 0.684 -3.781 11.472 413 HG23 THR 60 3HG2 THR 60 0.508 -4.767 10.020 414 H LEU 61 H LEU 61 -2.463 -1.831 12.266 415 HA LEU 61 HA LEU 61 -0.220 0.081 12.097 416 HB2 LEU 61 1HB LEU 61 -3.013 0.571 13.172 417 HB3 LEU 61 2HB LEU 61 -1.688 1.711 13.259 418 HG LEU 61 HG LEU 61 -3.090 2.434 11.486 419 HD11 LEU 61 1HD1 LEU 61 -0.758 0.981 10.234 420 HD12 LEU 61 2HD1 LEU 61 -0.695 2.570 11.001 421 HD13 LEU 61 3HD1 LEU 61 -1.646 2.337 9.534 422 HD21 LEU 61 1HD2 LEU 61 -2.964 -0.365 10.363 423 HD22 LEU 61 2HD2 LEU 61 -3.735 1.020 9.591 424 HD23 LEU 61 3HD2 LEU 61 -4.364 0.397 11.116 425 H THR 62 H THR 62 0.641 0.799 14.132 426 HA THR 62 HA THR 62 1.387 -1.292 15.755 427 HB THR 62 HB THR 62 2.160 0.515 17.371 428 HG1 THR 62 1HG THR 62 1.738 2.608 16.866 429 HG21 THR 62 1HG2 THR 62 2.890 0.851 14.451 430 HG22 THR 62 2HG2 THR 62 3.601 -0.321 15.561 431 HG23 THR 62 3HG2 THR 62 3.849 1.406 15.824 432 H SER 63 H SER 63 -0.963 1.271 16.611 433 HA SER 63 HA SER 63 -1.895 -0.460 18.820 434 HB2 SER 63 1HB SER 63 -0.880 1.663 19.565 435 HB3 SER 63 2HB SER 63 -2.035 2.563 18.586 436 HG SER 63 HG SER 63 -3.425 0.910 20.121 437 H ALA 64 H ALA 64 -2.715 0.384 15.803 438 HA ALA 64 HA ALA 64 -4.603 0.412 14.548 439 HB1 ALA 64 1HB ALA 64 -6.530 -0.860 15.347 440 HB2 ALA 64 2HB ALA 64 -5.860 -0.869 16.980 441 HB3 ALA 64 3HB ALA 64 -5.025 -1.718 15.679 442 H ALA 65 H ALA 65 -4.174 2.453 16.995 443 HA ALA 65 HA ALA 65 -6.688 3.906 16.456 444 HB1 ALA 65 1HB ALA 65 -6.511 3.233 18.816 445 HB2 ALA 65 2HB ALA 65 -6.426 4.985 18.644 446 HB3 ALA 65 3HB ALA 65 -4.955 4.057 18.937 447 H CYS 66 H CYS 66 -3.664 3.710 15.507 448 HA CYS 66 HA CYS 66 -2.707 6.408 15.902 449 HB2 CYS 66 2HB CYS 66 -1.500 4.283 14.128 450 HB3 CYS 66 1HB CYS 66 -0.686 5.630 14.921 451 HG CYS 66 HG CYS 66 -0.504 4.572 17.356 452 HA PRO 67 HA PRO 67 -4.540 7.935 12.141 453 HB2 PRO 67 2HB PRO 67 -3.213 10.273 11.912 454 HB3 PRO 67 1HB PRO 67 -4.385 9.990 13.204 455 HG2 PRO 67 2HG PRO 67 -1.392 9.821 13.301 456 HG3 PRO 67 1HG PRO 67 -2.504 10.583 14.455 457 HD2 PRO 67 2HD PRO 67 -1.444 8.101 14.841 458 HD3 PRO 67 1HD PRO 67 -3.038 8.577 15.458 459 H LEU 68 H LEU 68 -2.061 6.151 12.014 460 HA LEU 68 HA LEU 68 -0.422 7.255 9.921 461 HB2 LEU 68 1HB LEU 68 -0.524 4.432 11.018 462 HB3 LEU 68 2HB LEU 68 0.730 5.090 9.982 463 HG LEU 68 HG LEU 68 0.135 5.991 12.809 464 HD11 LEU 68 1HD1 LEU 68 2.437 4.378 11.706 465 HD12 LEU 68 2HD1 LEU 68 1.135 3.771 12.731 466 HD13 LEU 68 3HD1 LEU 68 2.277 4.956 13.366 467 HD21 LEU 68 1HD2 LEU 68 2.332 6.843 10.914 468 HD22 LEU 68 2HD2 LEU 68 2.180 7.323 12.605 469 HD23 LEU 68 3HD2 LEU 68 0.964 7.828 11.434 470 H THR 69 H THR 69 -3.346 5.535 10.125 471 HA THR 69 HA THR 69 -3.270 3.965 7.817 472 HB THR 69 HB THR 69 -4.999 3.669 9.496 473 HG1 THR 69 1HG THR 69 -6.169 4.461 7.008 474 HG21 THR 69 1HG2 THR 69 -6.118 6.323 8.571 475 HG22 THR 69 2HG2 THR 69 -5.372 6.002 10.138 476 HG23 THR 69 3HG2 THR 69 -6.890 5.214 9.708 477 H ASP 70 H ASP 70 -4.383 7.318 8.271 478 HA ASP 70 HA ASP 70 -5.251 7.842 5.682 479 HB2 ASP 70 1HB ASP 70 -3.912 9.719 7.657 480 HB3 ASP 70 2HB ASP 70 -4.765 10.238 6.209 481 H VAL 71 H VAL 71 -2.036 8.052 7.098 482 HA VAL 71 HA VAL 71 -0.745 9.227 4.881 483 HB VAL 71 HB VAL 71 0.476 7.483 7.038 484 HG11 VAL 71 1HG1 VAL 71 1.751 9.520 5.199 485 HG12 VAL 71 2HG1 VAL 71 1.970 7.770 5.132 486 HG13 VAL 71 3HG1 VAL 71 2.564 8.678 6.522 487 HG21 VAL 71 1HG2 VAL 71 -0.740 9.334 8.034 488 HG22 VAL 71 2HG2 VAL 71 0.067 10.479 6.961 489 HG23 VAL 71 3HG2 VAL 71 0.997 9.608 8.181 490 H ILE 72 H ILE 72 -0.900 5.806 5.969 491 HA ILE 72 HA ILE 72 0.685 4.802 3.874 492 HB ILE 72 HB ILE 72 -0.129 2.588 4.437 493 HG12 ILE 72 1HG1 ILE 72 -2.066 4.012 6.283 494 HG13 ILE 72 2HG1 ILE 72 -2.504 3.163 4.802 495 HG21 ILE 72 1HG2 ILE 72 0.579 2.551 6.790 496 HG22 ILE 72 2HG2 ILE 72 0.416 4.305 6.863 497 HG23 ILE 72 3HG2 ILE 72 1.626 3.576 5.806 498 HD11 ILE 72 1HD1 ILE 72 -1.291 1.946 7.260 499 HD12 ILE 72 2HD1 ILE 72 -1.661 1.088 5.766 500 HD13 ILE 72 3HD1 ILE 72 -2.965 1.794 6.722 501 H GLU 73 H GLU 73 -2.794 5.285 4.158 502 HA GLU 73 HA GLU 73 -3.556 4.063 1.741 503 HB2 GLU 73 1HB GLU 73 -4.793 6.324 3.321 504 HB3 GLU 73 2HB GLU 73 -5.544 5.641 1.884 505 HG2 GLU 73 1HG GLU 73 -5.640 3.459 2.959 506 HG3 GLU 73 2HG GLU 73 -4.873 4.129 4.401 507 H ASP 74 H ASP 74 -2.684 7.414 2.520 508 HA ASP 74 HA ASP 74 -3.072 8.485 -0.036 509 HB2 ASP 74 1HB ASP 74 -2.792 9.897 1.945 510 HB3 ASP 74 2HB ASP 74 -1.119 9.368 2.105 511 H GLN 75 H GLN 75 -0.120 7.153 1.455 512 HA GLN 75 HA GLN 75 1.602 7.714 -0.702 513 HB2 GLN 75 1HB GLN 75 1.864 5.405 1.245 514 HB3 GLN 75 2HB GLN 75 3.154 6.139 0.301 515 HG2 GLN 75 1HG GLN 75 1.646 7.364 2.602 516 HG3 GLN 75 2HG GLN 75 3.336 6.877 2.566 517 HE21 GLN 75 1HE2 GLN 75 2.148 10.468 1.099 518 HE22 GLN 75 2HE2 GLN 75 1.014 9.264 1.595 519 H SER 76 H SER 76 -0.133 4.725 0.156 520 HA SER 76 HA SER 76 0.754 3.174 -2.006 521 HB2 SER 76 1HB SER 76 -0.340 2.249 0.023 522 HB3 SER 76 2HB SER 76 -1.873 2.947 -0.500 523 HG SER 76 HG SER 76 -0.654 0.649 -1.291 524 H ARG 77 H ARG 77 -2.355 4.879 -1.589 525 HA ARG 77 HA ARG 77 -3.436 4.404 -4.105 526 HB2 ARG 77 1HB ARG 77 -4.681 5.403 -2.214 527 HB3 ARG 77 2HB ARG 77 -3.753 6.885 -2.393 528 HG2 ARG 77 1HG ARG 77 -4.685 7.073 -4.722 529 HG3 ARG 77 2HG ARG 77 -5.751 5.723 -4.324 530 HD2 ARG 77 1HD ARG 77 -5.626 8.366 -2.866 531 HD3 ARG 77 2HD ARG 77 -6.864 7.889 -4.027 532 HE ARG 77 HE ARG 77 -6.864 5.938 -2.071 533 HH11 ARG 77 1HH1 ARG 77 -7.347 9.404 -2.173 534 HH12 ARG 77 2HH1 ARG 77 -8.520 9.410 -0.892 535 HH21 ARG 77 1HH2 ARG 77 -8.403 5.946 -0.337 536 HH22 ARG 77 2HH2 ARG 77 -9.099 7.456 0.153 537 H SER 78 H SER 78 -1.233 6.927 -3.020 538 HA SER 78 HA SER 78 -1.392 8.699 -5.143 539 HB2 SER 78 1HB SER 78 -0.184 9.125 -2.999 540 HB3 SER 78 2HB SER 78 1.104 8.051 -3.539 541 HG SER 78 HG SER 78 1.903 9.714 -4.524 542 H ALA 79 H ALA 79 0.924 5.995 -4.732 543 HA ALA 79 HA ALA 79 2.041 6.415 -7.341 544 HB1 ALA 79 1HB ALA 79 3.379 5.462 -5.528 545 HB2 ALA 79 2HB ALA 79 3.311 4.367 -6.911 546 HB3 ALA 79 3HB ALA 79 2.324 4.050 -5.482 547 H LEU 80 H LEU 80 -0.119 3.934 -5.932 548 HA LEU 80 HA LEU 80 -0.154 2.195 -8.114 549 HB2 LEU 80 1HB LEU 80 -2.303 2.729 -6.055 550 HB3 LEU 80 2HB LEU 80 -2.352 1.393 -7.189 551 HG LEU 80 HG LEU 80 -0.272 1.806 -5.029 552 HD11 LEU 80 1HD1 LEU 80 -2.494 -0.223 -5.265 553 HD12 LEU 80 2HD1 LEU 80 -2.443 1.140 -4.147 554 HD13 LEU 80 3HD1 LEU 80 -1.270 -0.167 -3.996 555 HD21 LEU 80 1HD2 LEU 80 0.701 0.731 -6.995 556 HD22 LEU 80 2HD2 LEU 80 -0.596 -0.464 -7.001 557 HD23 LEU 80 3HD2 LEU 80 0.553 -0.414 -5.664 558 H VAL 81 H VAL 81 -2.296 4.872 -7.347 559 HA VAL 81 HA VAL 81 -3.766 4.612 -9.823 560 HB VAL 81 HB VAL 81 -3.900 6.805 -7.728 561 HG11 VAL 81 1HG1 VAL 81 -5.837 6.073 -9.934 562 HG12 VAL 81 2HG1 VAL 81 -4.803 7.501 -9.895 563 HG13 VAL 81 3HG1 VAL 81 -6.091 7.314 -8.705 564 HG21 VAL 81 1HG2 VAL 81 -5.879 5.627 -6.878 565 HG22 VAL 81 2HG2 VAL 81 -4.441 4.612 -6.773 566 HG23 VAL 81 3HG2 VAL 81 -5.622 4.336 -8.055 567 H GLY 82 H GLY 82 -0.950 6.267 -8.665 568 HA2 GLY 82 1HA GLY 82 -1.218 8.693 -10.127 569 HA3 GLY 82 2HA GLY 82 0.261 8.068 -9.412 570 H SER 83 H SER 83 0.686 5.762 -10.734 571 HA SER 83 HA SER 83 1.319 6.699 -13.419 572 HB2 SER 83 1HB SER 83 2.096 4.093 -12.091 573 HB3 SER 83 2HB SER 83 2.820 4.815 -13.528 574 HG SER 83 HG SER 83 3.809 5.101 -11.278 575 H GLY 84 H GLY 84 -1.064 4.893 -11.864 576 HA2 GLY 84 1HA GLY 84 -3.017 4.086 -12.816 577 HA3 GLY 84 2HA GLY 84 -2.286 4.234 -14.404 578 H LEU 85 H LEU 85 -1.071 2.448 -11.583 579 HA LEU 85 HA LEU 85 -0.797 0.018 -13.091 580 HB2 LEU 85 1HB LEU 85 -0.635 0.525 -10.104 581 HB3 LEU 85 2HB LEU 85 -0.295 -1.020 -10.856 582 HG LEU 85 HG LEU 85 1.791 0.014 -10.362 583 HD11 LEU 85 1HD1 LEU 85 1.246 0.323 -13.314 584 HD12 LEU 85 2HD1 LEU 85 1.700 -1.169 -12.488 585 HD13 LEU 85 3HD1 LEU 85 2.834 0.179 -12.558 586 HD21 LEU 85 1HD2 LEU 85 0.843 2.444 -11.887 587 HD22 LEU 85 2HD2 LEU 85 2.440 2.217 -11.170 588 HD23 LEU 85 3HD2 LEU 85 1.019 2.319 -10.135 589 H VAL 86 H VAL 86 -2.934 1.216 -10.564 590 HA VAL 86 HA VAL 86 -5.128 -0.409 -11.607 591 HB VAL 86 HB VAL 86 -5.877 -1.036 -9.320 592 HG11 VAL 86 1HG1 VAL 86 -4.669 -2.681 -10.656 593 HG12 VAL 86 2HG1 VAL 86 -4.289 -2.870 -8.943 594 HG13 VAL 86 3HG1 VAL 86 -3.133 -2.087 -10.020 595 HG21 VAL 86 1HG2 VAL 86 -4.724 0.698 -8.048 596 HG22 VAL 86 2HG2 VAL 86 -3.164 -0.023 -8.445 597 HG23 VAL 86 3HG2 VAL 86 -4.308 -0.900 -7.429 598 H ASP 87 H ASP 87 -7.226 0.406 -10.782 599 HA ASP 87 HA ASP 87 -7.081 3.301 -10.270 600 HB2 ASP 87 1HB ASP 87 -9.421 1.609 -11.204 601 HB3 ASP 87 2HB ASP 87 -9.451 3.355 -10.978 602 H ASP 88 H ASP 88 -8.620 0.326 -9.165 603 HA ASP 88 HA ASP 88 -9.733 1.720 -6.836 604 HB2 ASP 88 1HB ASP 88 -10.313 -1.091 -7.818 605 HB3 ASP 88 2HB ASP 88 -11.226 -0.173 -6.624 606 H ILE 89 H ILE 89 -9.019 1.285 -4.812 607 HA ILE 89 HA ILE 89 -7.104 -0.932 -4.453 608 HB ILE 89 HB ILE 89 -5.765 0.417 -2.937 609 HG12 ILE 89 1HG1 ILE 89 -7.555 2.763 -3.641 610 HG13 ILE 89 2HG1 ILE 89 -7.656 1.860 -2.134 611 HG21 ILE 89 1HG2 ILE 89 -6.199 1.838 -5.571 612 HG22 ILE 89 2HG2 ILE 89 -5.118 0.474 -5.280 613 HG23 ILE 89 3HG2 ILE 89 -4.791 2.034 -4.521 614 HD11 ILE 89 1HD1 ILE 89 -6.422 3.929 -1.849 615 HD12 ILE 89 2HD1 ILE 89 -5.269 3.428 -3.085 616 HD13 ILE 89 3HD1 ILE 89 -5.382 2.533 -1.569 617 H ARG 90 H ARG 90 -7.029 -1.825 -2.334 618 HA ARG 90 HA ARG 90 -8.862 -0.800 -0.318 619 HB2 ARG 90 1HB ARG 90 -10.297 -2.366 -1.502 620 HB3 ARG 90 2HB ARG 90 -9.072 -3.621 -1.399 621 HG2 ARG 90 1HG ARG 90 -10.832 -3.999 0.230 622 HG3 ARG 90 2HG ARG 90 -9.301 -3.665 1.035 623 HD2 ARG 90 1HD ARG 90 -10.754 -1.205 0.613 624 HD3 ARG 90 2HD ARG 90 -11.777 -2.378 1.438 625 HE ARG 90 HE ARG 90 -9.177 -2.210 2.613 626 HH11 ARG 90 1HH1 ARG 90 -12.315 -0.661 2.505 627 HH12 ARG 90 2HH1 ARG 90 -12.184 0.005 4.099 628 HH21 ARG 90 1HH2 ARG 90 -9.021 -1.333 4.729 629 HH22 ARG 90 2HH2 ARG 90 -10.328 -0.390 5.358 630 H ILE 91 H ILE 91 -7.354 -0.459 1.197 631 HA ILE 91 HA ILE 91 -5.394 -2.542 1.811 632 HB ILE 91 HB ILE 91 -5.738 0.212 3.040 633 HG12 ILE 91 1HG1 ILE 91 -3.726 -0.761 0.983 634 HG13 ILE 91 2HG1 ILE 91 -5.086 0.305 0.651 635 HG21 ILE 91 1HG2 ILE 91 -4.662 -1.333 4.573 636 HG22 ILE 91 2HG2 ILE 91 -3.487 -0.166 3.970 637 HG23 ILE 91 3HG2 ILE 91 -3.509 -1.809 3.327 638 HD11 ILE 91 1HD1 ILE 91 -3.002 1.539 0.809 639 HD12 ILE 91 2HD1 ILE 91 -2.752 0.936 2.447 640 HD13 ILE 91 3HD1 ILE 91 -4.109 2.008 2.099 641 H ASN 92 H ASN 92 -6.183 -4.133 3.073 642 HA ASN 92 HA ASN 92 -8.307 -3.577 4.993 643 HB2 ASN 92 1HB ASN 92 -8.525 -5.598 3.639 644 HB3 ASN 92 2HB ASN 92 -6.953 -6.169 4.189 645 HD21 ASN 92 1HD2 ASN 92 -8.110 -7.460 7.209 646 HD22 ASN 92 2HD2 ASN 92 -6.749 -7.043 6.225 647 H TRP 93 H TRP 93 -7.904 -3.141 7.065 648 HA TRP 93 HA TRP 93 -5.142 -3.456 8.019 649 HB2 TRP 93 2HB TRP 93 -7.385 -1.859 9.285 650 HB3 TRP 93 1HB TRP 93 -5.672 -1.795 9.693 651 HD1 TRP 93 1HD TRP 93 -4.059 -0.926 7.493 652 HE1 TRP 93 1HE TRP 93 -4.558 1.045 5.913 653 HE3 TRP 93 3HE TRP 93 -9.093 -0.494 8.279 654 HZ2 TRP 93 2HZ TRP 93 -6.779 2.569 5.106 655 HZ3 TRP 93 3HZ TRP 93 -10.331 1.252 7.066 656 HH2 TRP 93 2HH TRP 93 -9.195 2.754 5.510 657 H VAL 94 H VAL 94 -4.827 -5.362 9.004 658 HA VAL 94 HA VAL 94 -6.974 -6.537 10.589 659 HB VAL 94 HB VAL 94 -5.497 -8.456 10.924 660 HG11 VAL 94 1HG1 VAL 94 -5.307 -9.194 8.586 661 HG12 VAL 94 2HG1 VAL 94 -5.580 -7.536 8.050 662 HG13 VAL 94 3HG1 VAL 94 -6.849 -8.404 8.913 663 HG21 VAL 94 1HG2 VAL 94 -3.344 -7.323 11.083 664 HG22 VAL 94 2HG2 VAL 94 -3.427 -6.888 9.375 665 HG23 VAL 94 3HG2 VAL 94 -3.288 -8.583 9.850 666 H TRP 95 H TRP 95 -7.209 -6.183 12.682 667 HA TRP 95 HA TRP 95 -4.985 -4.979 14.209 668 HB2 TRP 95 2HB TRP 95 -7.916 -4.843 14.946 669 HB3 TRP 95 1HB TRP 95 -6.602 -3.818 15.515 670 HD1 TRP 95 1HD TRP 95 -5.481 -2.213 13.437 671 HE1 TRP 95 1HE TRP 95 -6.766 -0.881 11.647 672 HE3 TRP 95 3HE TRP 95 -9.921 -4.739 13.585 673 HZ2 TRP 95 2HZ TRP 95 -9.316 -0.911 10.443 674 HZ3 TRP 95 3HZ TRP 95 -11.732 -4.029 12.077 675 HH2 TRP 95 2HH TRP 95 -11.437 -2.154 10.538 676 H ASN 96 H ASN 96 -7.474 -7.377 14.127 677 HA ASN 96 HA ASN 96 -6.200 -9.255 15.738 678 HB2 ASN 96 1HB ASN 96 -6.744 -7.800 17.643 679 HB3 ASN 96 2HB ASN 96 -8.438 -7.774 17.167 680 HD21 ASN 96 1HD2 ASN 96 -9.225 -10.842 18.631 681 HD22 ASN 96 2HD2 ASN 96 -9.735 -9.537 17.618 682 HA PRO 97 HA PRO 97 -10.611 -10.565 14.070 683 HB2 PRO 97 2HB PRO 97 -11.364 -8.074 12.637 684 HB3 PRO 97 1HB PRO 97 -12.378 -9.170 13.581 685 HG2 PRO 97 2HG PRO 97 -11.728 -6.748 14.515 686 HG3 PRO 97 1HG PRO 97 -11.840 -8.153 15.595 687 HD2 PRO 97 2HD PRO 97 -9.395 -6.842 14.440 688 HD3 PRO 97 1HD PRO 97 -9.675 -7.457 16.083 689 HA PRO 98 HA PRO 98 -7.879 -11.234 10.665 690 HB2 PRO 98 2HB PRO 98 -10.003 -12.886 9.443 691 HB3 PRO 98 1HB PRO 98 -8.385 -13.349 9.978 692 HG2 PRO 98 2HG PRO 98 -10.575 -14.091 11.340 693 HG3 PRO 98 1HG PRO 98 -9.059 -13.685 12.167 694 HD2 PRO 98 2HD PRO 98 -11.535 -12.021 11.820 695 HD3 PRO 98 1HD PRO 98 -10.504 -12.221 13.255 696 H TRP 99 H TRP 99 -10.869 -11.652 8.836 697 HA TRP 99 HA TRP 99 -10.360 -9.156 7.387 698 HB2 TRP 99 2HB TRP 99 -10.489 -11.868 6.026 699 HB3 TRP 99 1HB TRP 99 -10.321 -10.312 5.218 700 HD1 TRP 99 1HD TRP 99 -7.929 -8.983 5.701 701 HE1 TRP 99 1HE TRP 99 -5.590 -9.916 6.108 702 HE3 TRP 99 3HE TRP 99 -9.187 -13.777 6.953 703 HZ2 TRP 99 2HZ TRP 99 -4.407 -12.362 6.867 704 HZ3 TRP 99 3HZ TRP 99 -7.384 -15.356 7.503 705 HH2 TRP 99 2HH TRP 99 -5.039 -14.666 7.460 706 H GLY 100 H GLY 100 -12.303 -8.203 7.719 707 HA2 GLY 100 1HA GLY 100 -14.741 -9.800 7.191 708 HA3 GLY 100 2HA GLY 100 -14.608 -8.742 8.588 709 HA PRO 101 HA PRO 101 -16.898 -6.135 5.678 710 HB2 PRO 101 2HB PRO 101 -17.256 -4.061 7.474 711 HB3 PRO 101 1HB PRO 101 -18.312 -5.471 7.347 712 HG2 PRO 101 2HG PRO 101 -16.071 -4.944 9.264 713 HG3 PRO 101 1HG PRO 101 -17.663 -5.666 9.572 714 HD2 PRO 101 2HD PRO 101 -15.458 -7.183 9.356 715 HD3 PRO 101 1HD PRO 101 -17.025 -7.738 8.728 716 H ASP 102 H ASP 102 -14.020 -5.325 7.494 717 HA ASP 102 HA ASP 102 -13.557 -2.779 6.327 718 HB2 ASP 102 1HB ASP 102 -12.494 -3.639 8.458 719 HB3 ASP 102 2HB ASP 102 -11.425 -4.608 7.449 720 H LYS 103 H LYS 103 -13.503 -5.796 4.924 721 HA LYS 103 HA LYS 103 -11.364 -5.343 3.061 722 HB2 LYS 103 1HB LYS 103 -13.679 -7.293 3.032 723 HB3 LYS 103 2HB LYS 103 -12.419 -7.260 1.801 724 HG2 LYS 103 1HG LYS 103 -10.766 -7.629 3.696 725 HG3 LYS 103 2HG LYS 103 -12.164 -7.966 4.719 726 HD2 LYS 103 1HD LYS 103 -11.304 -9.468 2.240 727 HD3 LYS 103 2HD LYS 103 -11.282 -10.053 3.902 728 HE2 LYS 103 1HE LYS 103 -13.729 -9.385 2.262 729 HE3 LYS 103 2HE LYS 103 -13.166 -10.998 2.695 730 HZ1 LYS 103 1HZ LYS 103 -14.055 -8.928 4.625 731 HZ2 LYS 103 2HZ LYS 103 -13.580 -10.504 5.010 732 HZ3 LYS 103 3HZ LYS 103 -14.986 -10.238 4.110 733 H ILE 104 H ILE 104 -14.294 -3.873 3.478 734 HA ILE 104 HA ILE 104 -14.471 -3.137 0.620 735 HB ILE 104 HB ILE 104 -16.697 -3.106 2.677 736 HG12 ILE 104 1HG1 ILE 104 -16.270 -4.934 0.291 737 HG13 ILE 104 2HG1 ILE 104 -16.075 -5.396 1.978 738 HG21 ILE 104 1HG2 ILE 104 -16.945 -1.319 1.042 739 HG22 ILE 104 2HG2 ILE 104 -18.163 -2.565 0.776 740 HG23 ILE 104 3HG2 ILE 104 -16.752 -2.473 -0.279 741 HD11 ILE 104 1HD1 ILE 104 -18.650 -4.519 0.687 742 HD12 ILE 104 2HD1 ILE 104 -18.448 -5.017 2.368 743 HD13 ILE 104 3HD1 ILE 104 -18.187 -6.176 1.065 744 H THR 105 H THR 105 -13.803 -1.114 0.227 745 HA THR 105 HA THR 105 -13.258 0.850 2.160 746 HB THR 105 HB THR 105 -13.441 2.385 0.020 747 HG1 THR 105 1HG THR 105 -13.772 1.351 -1.823 748 HG21 THR 105 1HG2 THR 105 -11.385 0.167 0.192 749 HG22 THR 105 2HG2 THR 105 -11.323 1.690 1.079 750 HG23 THR 105 3HG2 THR 105 -11.203 1.690 -0.680 751 H GLU 106 H GLU 106 -14.320 3.055 2.241 752 HA GLU 106 HA GLU 106 -17.012 2.744 3.021 753 HB2 GLU 106 1HB GLU 106 -17.033 5.085 3.510 754 HB3 GLU 106 2HB GLU 106 -15.442 4.479 3.929 755 HG2 GLU 106 1HG GLU 106 -14.687 6.282 2.837 756 HG3 GLU 106 2HG GLU 106 -15.019 5.355 1.376 757 H ASP 107 H ASP 107 -15.518 4.129 0.153 758 HA ASP 107 HA ASP 107 -17.817 4.965 -1.194 759 HB2 ASP 107 1HB ASP 107 -16.343 4.573 -3.273 760 HB3 ASP 107 2HB ASP 107 -15.752 5.707 -2.061 761 H GLY 108 H GLY 108 -16.266 1.818 -0.984 762 HA2 GLY 108 1HA GLY 108 -17.775 0.487 -2.955 763 HA3 GLY 108 2HA GLY 108 -16.937 -0.275 -1.612 764 H ARG 109 H ARG 109 -18.356 0.969 0.505 765 HA ARG 109 HA ARG 109 -20.738 -0.630 0.558 766 HB2 ARG 109 1HB ARG 109 -19.272 -0.130 2.542 767 HB3 ARG 109 2HB ARG 109 -19.864 1.518 2.512 768 HG2 ARG 109 1HG ARG 109 -21.802 -0.755 2.754 769 HG3 ARG 109 2HG ARG 109 -20.888 -0.224 4.162 770 HD2 ARG 109 1HD ARG 109 -22.706 1.114 4.437 771 HD3 ARG 109 2HD ARG 109 -21.798 2.160 3.351 772 HE ARG 109 HE ARG 109 -23.609 0.326 2.030 773 HH11 ARG 109 1HH1 ARG 109 -23.210 3.532 3.401 774 HH12 ARG 109 2HH1 ARG 109 -24.572 4.192 2.548 775 HH21 ARG 109 1HH2 ARG 109 -25.395 1.223 0.915 776 HH22 ARG 109 2HH2 ARG 109 -25.794 2.900 1.140 777 H GLU 110 H GLU 110 -20.068 2.833 0.473 778 HA GLU 110 HA GLU 110 -22.736 3.728 0.739 779 HB2 GLU 110 1HB GLU 110 -20.323 5.036 -0.451 780 HB3 GLU 110 2HB GLU 110 -21.787 5.885 0.020 781 HG2 GLU 110 1HG GLU 110 -19.902 4.434 1.882 782 HG3 GLU 110 2HG GLU 110 -20.015 6.179 1.678 783 H GLN 111 H GLN 111 -20.546 3.877 -2.040 784 HA GLN 111 HA GLN 111 -20.862 3.879 -4.284 785 HB2 GLN 111 1HB GLN 111 -23.547 2.593 -3.914 786 HB3 GLN 111 2HB GLN 111 -22.296 2.243 -5.106 787 HG2 GLN 111 1HG GLN 111 -20.924 1.197 -3.430 788 HG3 GLN 111 2HG GLN 111 -22.042 1.680 -2.156 789 HE21 GLN 111 1HE2 GLN 111 -22.557 -1.907 -3.342 790 HE22 GLN 111 2HE2 GLN 111 -21.128 -1.007 -2.978 791 H LEU 112 H LEU 112 -21.779 6.135 -2.732 792 HA LEU 112 HA LEU 112 -24.074 7.111 -4.286 793 HB2 LEU 112 1HB LEU 112 -24.150 7.324 -1.813 794 HB3 LEU 112 2HB LEU 112 -22.701 8.311 -1.872 795 HG LEU 112 HG LEU 112 -23.940 10.022 -3.177 796 HD11 LEU 112 1HD1 LEU 112 -26.348 8.277 -2.644 797 HD12 LEU 112 2HD1 LEU 112 -25.600 8.559 -4.216 798 HD13 LEU 112 3HD1 LEU 112 -26.370 9.891 -3.355 799 HD21 LEU 112 1HD2 LEU 112 -25.230 9.274 -0.547 800 HD22 LEU 112 2HD2 LEU 112 -25.303 10.856 -1.325 801 HD23 LEU 112 3HD2 LEU 112 -23.759 10.228 -0.749 802 H ARG 113 H ARG 113 -21.241 8.778 -2.944 803 HA ARG 113 HA ARG 113 -20.930 10.511 -5.168 804 HB2 ARG 113 1HB ARG 113 -20.137 11.097 -2.908 805 HB3 ARG 113 2HB ARG 113 -18.977 9.777 -2.965 806 HG2 ARG 113 1HG ARG 113 -17.831 11.844 -3.380 807 HG3 ARG 113 2HG ARG 113 -17.850 10.898 -4.868 808 HD2 ARG 113 1HD ARG 113 -18.319 13.242 -5.338 809 HD3 ARG 113 2HD ARG 113 -19.729 12.245 -5.697 810 HE ARG 113 HE ARG 113 -20.863 13.199 -3.902 811 HH11 ARG 113 1HH1 ARG 113 -17.562 14.401 -4.034 812 HH12 ARG 113 2HH1 ARG 113 -17.881 15.744 -2.983 813 HH21 ARG 113 1HH2 ARG 113 -21.275 14.961 -2.538 814 HH22 ARG 113 2HH2 ARG 113 -19.992 16.058 -2.118 815 H ALA 114 H ALA 114 -19.639 7.413 -4.258 816 HA ALA 114 HA ALA 114 -17.509 7.297 -6.139 817 HB1 ALA 114 1HB ALA 114 -17.417 4.916 -5.589 818 HB2 ALA 114 2HB ALA 114 -18.972 5.038 -4.765 819 HB3 ALA 114 3HB ALA 114 -17.569 5.895 -4.128 820 H LEU 115 H LEU 115 -20.918 6.757 -6.354 821 HA LEU 115 HA LEU 115 -20.857 5.118 -8.709 822 HB2 LEU 115 1HB LEU 115 -22.728 5.240 -6.994 823 HB3 LEU 115 2HB LEU 115 -23.161 6.791 -7.679 824 HG LEU 115 HG LEU 115 -23.103 4.295 -9.383 825 HD11 LEU 115 1HD1 LEU 115 -24.544 3.818 -7.473 826 HD12 LEU 115 2HD1 LEU 115 -25.496 4.024 -8.942 827 HD13 LEU 115 3HD1 LEU 115 -25.430 5.319 -7.746 828 HD21 LEU 115 1HD2 LEU 115 -24.623 6.905 -9.613 829 HD22 LEU 115 2HD2 LEU 115 -24.741 5.541 -10.729 830 HD23 LEU 115 3HD2 LEU 115 -23.226 6.424 -10.576 831 H GLY 116 H GLY 116 -21.054 8.539 -7.987 832 HA2 GLY 116 1HA GLY 116 -21.556 9.354 -10.705 833 HA3 GLY 116 2HA GLY 116 -21.144 10.401 -9.353 834 H PHE 117 H PHE 117 -18.963 10.776 -8.843 835 HA PHE 117 HA PHE 117 -16.756 9.520 -10.014 836 HB2 PHE 117 2HB PHE 117 -16.006 11.168 -11.653 837 HB3 PHE 117 1HB PHE 117 -17.587 10.555 -12.119 838 HD1 PHE 117 1HD PHE 117 -15.653 13.475 -11.227 839 HD2 PHE 117 2HD PHE 117 -19.615 11.988 -11.751 840 HE1 PHE 117 1HE PHE 117 -16.499 15.779 -11.368 841 HE2 PHE 117 2HE PHE 117 -20.461 14.294 -11.893 842 HZ PHE 117 HZ PHE 117 -18.903 16.191 -11.703 843 H THR 118 H THR 118 -14.734 10.642 -9.510 844 HA THR 118 HA THR 118 -14.858 13.075 -7.941 845 HB THR 118 HB THR 118 -13.874 10.473 -6.734 846 HG1 THR 118 1HG THR 118 -16.204 11.490 -6.621 847 HG21 THR 118 1HG2 THR 118 -12.246 12.231 -6.238 848 HG22 THR 118 2HG2 THR 118 -13.161 11.817 -4.789 849 HG23 THR 118 3HG2 THR 118 -13.538 13.293 -5.676 850 H VAL 119 H VAL 119 -13.483 14.189 -9.164 851 HA VAL 119 HA VAL 119 -10.788 13.095 -9.614 852 HB VAL 119 HB VAL 119 -10.712 14.397 -11.766 853 HG11 VAL 119 1HG1 VAL 119 -12.802 12.220 -11.608 854 HG12 VAL 119 2HG1 VAL 119 -11.062 11.979 -11.763 855 HG13 VAL 119 3HG1 VAL 119 -11.968 12.738 -13.073 856 HG21 VAL 119 1HG2 VAL 119 -13.696 14.631 -11.332 857 HG22 VAL 119 2HG2 VAL 119 -12.848 15.029 -12.827 858 HG23 VAL 119 3HG2 VAL 119 -12.535 15.962 -11.364 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 17.100 -3.835 3.662 2 H2 GLY 1 2H GLY 1 16.819 -5.129 2.611 3 H3 GLY 1 3H GLY 1 18.221 -5.097 3.551 4 HA2 GLY 1 1HA GLY 1 16.879 -5.260 5.573 5 HA3 GLY 1 2HA GLY 1 15.444 -5.365 4.561 6 HA PRO 2 HA PRO 2 16.681 -9.751 5.273 7 HB2 PRO 2 2HB PRO 2 13.804 -10.253 4.902 8 HB3 PRO 2 1HB PRO 2 14.836 -10.649 6.278 9 HG2 PRO 2 2HG PRO 2 12.948 -8.722 6.406 10 HG3 PRO 2 1HG PRO 2 14.474 -8.613 7.305 11 HD2 PRO 2 2HD PRO 2 13.687 -7.279 4.731 12 HD3 PRO 2 1HD PRO 2 14.559 -6.608 6.127 13 H GLY 3 H GLY 3 14.916 -8.107 2.813 14 HA2 GLY 3 1HA GLY 3 15.867 -8.945 0.532 15 HA3 GLY 3 2HA GLY 3 14.972 -10.394 0.983 16 H SER 4 H SER 4 13.594 -10.137 -0.839 17 HA SER 4 HA SER 4 11.218 -8.714 -0.179 18 HB2 SER 4 1HB SER 4 12.491 -6.852 -1.212 19 HB3 SER 4 2HB SER 4 12.701 -7.816 -2.674 20 HG SER 4 HG SER 4 10.939 -6.406 -2.916 21 H MET 5 H MET 5 9.488 -9.683 -1.071 22 HA MET 5 HA MET 5 9.936 -11.717 -3.153 23 HB2 MET 5 1HB MET 5 7.769 -12.654 -2.475 24 HB3 MET 5 2HB MET 5 8.860 -12.544 -1.101 25 HG2 MET 5 1HG MET 5 6.649 -10.584 -1.717 26 HG3 MET 5 2HG MET 5 6.555 -11.895 -0.542 27 HE1 MET 5 1HE MET 5 8.001 -11.985 1.697 28 HE2 MET 5 2HE MET 5 9.207 -10.776 2.128 29 HE3 MET 5 3HE MET 5 9.482 -11.840 0.751 30 H SER 6 H SER 6 9.270 -8.588 -2.940 31 HA SER 6 HA SER 6 7.005 -8.472 -4.771 32 HB2 SER 6 1HB SER 6 7.105 -6.948 -2.805 33 HB3 SER 6 2HB SER 6 8.579 -6.235 -3.457 34 HG SER 6 HG SER 6 7.327 -4.973 -4.546 35 H GLU 7 H GLU 7 7.613 -6.216 -6.225 36 HA GLU 7 HA GLU 7 8.476 -5.610 -8.223 37 HB2 GLU 7 1HB GLU 7 11.009 -6.741 -7.007 38 HB3 GLU 7 2HB GLU 7 10.965 -5.877 -8.536 39 HG2 GLU 7 1HG GLU 7 11.687 -4.366 -6.824 40 HG3 GLU 7 2HG GLU 7 10.075 -3.889 -7.345 41 H THR 8 H THR 8 7.712 -8.583 -7.561 42 HA THR 8 HA THR 8 8.926 -9.902 -9.883 43 HB THR 8 HB THR 8 7.850 -11.967 -8.905 44 HG1 THR 8 1HG THR 8 7.520 -11.004 -6.406 45 HG21 THR 8 1HG2 THR 8 9.429 -12.183 -7.023 46 HG22 THR 8 2HG2 THR 8 9.728 -10.447 -7.078 47 HG23 THR 8 3HG2 THR 8 10.199 -11.465 -8.439 48 H SER 9 H SER 9 6.659 -7.836 -9.776 49 HA SER 9 HA SER 9 4.826 -9.237 -11.568 50 HB2 SER 9 1HB SER 9 3.785 -9.479 -9.359 51 HB3 SER 9 2HB SER 9 3.923 -7.746 -9.080 52 HG SER 9 HG SER 9 2.384 -8.979 -11.134 53 H ALA 10 H ALA 10 3.218 -7.567 -12.481 54 HA ALA 10 HA ALA 10 2.772 -5.682 -13.647 55 HB1 ALA 10 1HB ALA 10 4.746 -4.373 -11.770 56 HB2 ALA 10 2HB ALA 10 3.003 -4.495 -11.532 57 HB3 ALA 10 3HB ALA 10 3.645 -3.524 -12.857 58 HA PRO 11 HA PRO 11 5.628 -5.354 -17.032 59 HB2 PRO 11 2HB PRO 11 5.664 -2.585 -17.459 60 HB3 PRO 11 1HB PRO 11 4.499 -3.720 -18.147 61 HG2 PRO 11 2HG PRO 11 4.249 -1.970 -15.732 62 HG3 PRO 11 1HG PRO 11 3.035 -2.363 -16.964 63 HD2 PRO 11 2HD PRO 11 2.967 -3.530 -14.569 64 HD3 PRO 11 1HD PRO 11 2.596 -4.462 -16.037 65 H ALA 12 H ALA 12 7.805 -5.319 -17.175 66 HA ALA 12 HA ALA 12 9.296 -5.169 -14.867 67 HB1 ALA 12 1HB ALA 12 11.257 -5.490 -16.258 68 HB2 ALA 12 2HB ALA 12 10.354 -4.978 -17.683 69 HB3 ALA 12 3HB ALA 12 9.914 -6.468 -16.851 70 H GLU 13 H GLU 13 9.760 -2.894 -17.608 71 HA GLU 13 HA GLU 13 11.590 -1.271 -16.220 72 HB2 GLU 13 1HB GLU 13 9.847 -0.581 -18.598 73 HB3 GLU 13 2HB GLU 13 11.211 0.378 -18.039 74 HG2 GLU 13 1HG GLU 13 12.698 -1.556 -18.471 75 HG3 GLU 13 2HG GLU 13 11.318 -2.432 -19.130 76 H GLU 14 H GLU 14 8.145 -0.771 -16.901 77 HA GLU 14 HA GLU 14 7.848 1.717 -15.688 78 HB2 GLU 14 1HB GLU 14 5.850 -0.534 -15.999 79 HB3 GLU 14 2HB GLU 14 5.427 1.118 -15.559 80 HG2 GLU 14 1HG GLU 14 6.068 1.956 -17.666 81 HG3 GLU 14 2HG GLU 14 6.916 0.472 -18.091 82 H LEU 15 H LEU 15 7.459 -1.531 -14.323 83 HA LEU 15 HA LEU 15 6.616 -0.699 -11.755 84 HB2 LEU 15 1HB LEU 15 6.251 -2.971 -12.697 85 HB3 LEU 15 2HB LEU 15 7.968 -3.284 -12.580 86 HG LEU 15 HG LEU 15 6.445 -4.297 -10.786 87 HD11 LEU 15 1HD1 LEU 15 8.870 -4.263 -10.557 88 HD12 LEU 15 2HD1 LEU 15 8.085 -3.994 -9.003 89 HD13 LEU 15 3HD1 LEU 15 8.797 -2.637 -9.875 90 HD21 LEU 15 1HD2 LEU 15 5.079 -2.297 -10.379 91 HD22 LEU 15 2HD2 LEU 15 6.492 -1.466 -9.728 92 HD23 LEU 15 3HD2 LEU 15 5.844 -2.882 -8.900 93 H LEU 16 H LEU 16 9.789 -1.396 -13.158 94 HA LEU 16 HA LEU 16 11.319 -1.450 -10.841 95 HB2 LEU 16 1HB LEU 16 12.197 -2.027 -13.053 96 HB3 LEU 16 2HB LEU 16 12.073 -0.352 -13.557 97 HG LEU 16 HG LEU 16 13.777 0.270 -11.866 98 HD11 LEU 16 1HD1 LEU 16 15.084 -1.474 -10.755 99 HD12 LEU 16 2HD1 LEU 16 13.999 -2.707 -11.398 100 HD13 LEU 16 3HD1 LEU 16 13.396 -1.512 -10.248 101 HD21 LEU 16 1HD2 LEU 16 14.662 -1.913 -13.757 102 HD22 LEU 16 2HD2 LEU 16 15.692 -0.674 -13.039 103 HD23 LEU 16 3HD2 LEU 16 14.428 -0.217 -14.178 104 H ALA 17 H ALA 17 10.807 1.370 -12.968 105 HA ALA 17 HA ALA 17 12.012 3.237 -11.232 106 HB1 ALA 17 1HB ALA 17 10.993 4.944 -12.663 107 HB2 ALA 17 2HB ALA 17 9.973 3.713 -13.411 108 HB3 ALA 17 3HB ALA 17 11.723 3.656 -13.624 109 H ASP 18 H ASP 18 8.598 2.397 -11.783 110 HA ASP 18 HA ASP 18 7.485 4.361 -10.127 111 HB2 ASP 18 1HB ASP 18 6.170 3.083 -11.770 112 HB3 ASP 18 2HB ASP 18 6.364 1.627 -10.800 113 H VAL 19 H VAL 19 8.434 1.020 -9.387 114 HA VAL 19 HA VAL 19 7.506 1.172 -6.691 115 HB VAL 19 HB VAL 19 7.852 -0.979 -8.085 116 HG11 VAL 19 1HG1 VAL 19 10.651 -0.690 -6.983 117 HG12 VAL 19 2HG1 VAL 19 10.198 -0.587 -8.686 118 HG13 VAL 19 3HG1 VAL 19 9.995 -2.106 -7.812 119 HG21 VAL 19 1HG2 VAL 19 8.259 -2.301 -6.044 120 HG22 VAL 19 2HG2 VAL 19 7.104 -0.995 -5.780 121 HG23 VAL 19 3HG2 VAL 19 8.765 -0.830 -5.208 122 H GLU 20 H GLU 20 10.587 1.721 -8.323 123 HA GLU 20 HA GLU 20 12.239 1.917 -6.067 124 HB2 GLU 20 1HB GLU 20 13.073 1.911 -8.397 125 HB3 GLU 20 2HB GLU 20 12.387 3.510 -8.643 126 HG2 GLU 20 1HG GLU 20 13.918 4.475 -7.059 127 HG3 GLU 20 2HG GLU 20 14.529 2.882 -6.616 128 H GLU 21 H GLU 21 10.174 4.301 -7.656 129 HA GLU 21 HA GLU 21 10.697 6.412 -5.797 130 HB2 GLU 21 1HB GLU 21 8.410 5.991 -7.737 131 HB3 GLU 21 2HB GLU 21 8.706 7.478 -6.842 132 HG2 GLU 21 1HG GLU 21 10.888 7.700 -7.952 133 HG3 GLU 21 2HG GLU 21 10.561 6.229 -8.866 134 H ALA 22 H ALA 22 8.109 4.002 -6.140 135 HA ALA 22 HA ALA 22 6.427 4.999 -4.112 136 HB1 ALA 22 1HB ALA 22 6.637 2.179 -5.170 137 HB2 ALA 22 2HB ALA 22 5.628 3.465 -5.836 138 HB3 ALA 22 3HB ALA 22 5.299 2.829 -4.222 139 H MET 23 H MET 23 9.167 2.831 -4.018 140 HA MET 23 HA MET 23 8.801 1.796 -1.415 141 HB2 MET 23 1HB MET 23 11.213 2.100 -3.195 142 HB3 MET 23 2HB MET 23 11.382 1.500 -1.552 143 HG2 MET 23 1HG MET 23 9.701 0.246 -3.729 144 HG3 MET 23 2HG MET 23 11.268 -0.325 -3.159 145 HE1 MET 23 1HE MET 23 8.891 -3.087 -1.759 146 HE2 MET 23 2HE MET 23 10.321 -2.739 -2.733 147 HE3 MET 23 3HE MET 23 8.724 -2.250 -3.302 148 H ARG 24 H ARG 24 9.563 4.914 -2.477 149 HA ARG 24 HA ARG 24 10.977 5.706 -0.061 150 HB2 ARG 24 1HB ARG 24 11.579 6.683 -2.253 151 HB3 ARG 24 2HB ARG 24 9.959 7.352 -2.393 152 HG2 ARG 24 1HG ARG 24 10.418 8.665 -0.302 153 HG3 ARG 24 2HG ARG 24 12.091 8.116 -0.405 154 HD2 ARG 24 1HD ARG 24 10.596 9.738 -2.468 155 HD3 ARG 24 2HD ARG 24 11.857 10.327 -1.387 156 HE ARG 24 HE ARG 24 12.429 8.223 -3.375 157 HH11 ARG 24 1HH1 ARG 24 13.106 11.352 -1.952 158 HH12 ARG 24 2HH1 ARG 24 14.473 11.663 -2.974 159 HH21 ARG 24 1HH2 ARG 24 14.212 8.629 -4.735 160 HH22 ARG 24 2HH2 ARG 24 15.108 10.106 -4.551 161 H ASP 25 H ASP 25 7.749 5.299 -1.034 162 HA ASP 25 HA ASP 25 6.779 7.439 0.776 163 HB2 ASP 25 1HB ASP 25 5.386 6.076 -1.555 164 HB3 ASP 25 2HB ASP 25 4.633 7.263 -0.498 165 H VAL 26 H VAL 26 6.886 4.131 -0.003 166 HA VAL 26 HA VAL 26 4.942 3.410 2.052 167 HB VAL 26 HB VAL 26 5.809 1.996 -0.486 168 HG11 VAL 26 1HG1 VAL 26 4.152 0.295 0.075 169 HG12 VAL 26 2HG1 VAL 26 3.904 1.066 1.642 170 HG13 VAL 26 3HG1 VAL 26 5.471 0.368 1.239 171 HG21 VAL 26 1HG2 VAL 26 4.260 3.832 -0.884 172 HG22 VAL 26 2HG2 VAL 26 3.156 3.198 0.337 173 HG23 VAL 26 3HG2 VAL 26 3.446 2.288 -1.147 174 H VAL 27 H VAL 27 6.860 3.849 3.456 175 HA VAL 27 HA VAL 27 8.034 1.497 4.421 176 HB VAL 27 HB VAL 27 9.391 1.907 2.241 177 HG11 VAL 27 1HG1 VAL 27 9.683 4.331 2.540 178 HG12 VAL 27 2HG1 VAL 27 11.225 3.493 2.374 179 HG13 VAL 27 3HG1 VAL 27 10.683 4.027 3.963 180 HG21 VAL 27 1HG2 VAL 27 10.082 0.346 4.027 181 HG22 VAL 27 2HG2 VAL 27 10.951 1.663 4.818 182 HG23 VAL 27 3HG2 VAL 27 11.449 1.110 3.218 183 H ASP 28 H ASP 28 9.771 2.107 6.137 184 HA ASP 28 HA ASP 28 9.280 4.835 7.143 185 HB2 ASP 28 1HB ASP 28 8.780 2.956 8.709 186 HB3 ASP 28 2HB ASP 28 10.463 2.452 8.602 187 HA PRO 29 HA PRO 29 13.538 5.004 5.475 188 HB2 PRO 29 2HB PRO 29 13.406 7.447 4.357 189 HB3 PRO 29 1HB PRO 29 12.680 6.030 3.588 190 HG2 PRO 29 2HG PRO 29 11.369 8.230 5.129 191 HG3 PRO 29 1HG PRO 29 10.793 7.364 3.690 192 HD2 PRO 29 2HD PRO 29 10.005 6.840 6.316 193 HD3 PRO 29 1HD PRO 29 9.817 5.730 4.945 194 H GLU 30 H GLU 30 11.814 7.159 7.588 195 HA GLU 30 HA GLU 30 13.967 8.903 8.205 196 HB2 GLU 30 1HB GLU 30 11.488 8.325 9.843 197 HB3 GLU 30 2HB GLU 30 12.544 9.722 10.010 198 HG2 GLU 30 1HG GLU 30 10.726 9.050 7.707 199 HG3 GLU 30 2HG GLU 30 10.609 10.416 8.814 200 H LEU 31 H LEU 31 12.459 6.285 10.150 201 HA LEU 31 HA LEU 31 14.815 6.243 11.874 202 HB2 LEU 31 1HB LEU 31 12.267 4.617 12.019 203 HB3 LEU 31 2HB LEU 31 13.546 4.621 13.220 204 HG LEU 31 HG LEU 31 11.741 6.943 12.514 205 HD11 LEU 31 1HD1 LEU 31 10.910 6.684 14.790 206 HD12 LEU 31 2HD1 LEU 31 11.981 5.304 15.037 207 HD13 LEU 31 3HD1 LEU 31 10.672 5.204 13.860 208 HD21 LEU 31 1HD2 LEU 31 13.998 6.807 14.517 209 HD22 LEU 31 2HD2 LEU 31 12.864 8.145 14.335 210 HD23 LEU 31 3HD2 LEU 31 13.982 7.755 13.030 211 H GLY 32 H GLY 32 13.451 4.542 9.208 212 HA2 GLY 32 1HA GLY 32 14.844 3.392 7.706 213 HA3 GLY 32 2HA GLY 32 15.991 3.101 9.004 214 H ILE 33 H ILE 33 12.500 2.376 8.789 215 HA ILE 33 HA ILE 33 13.192 -0.492 9.041 216 HB ILE 33 HB ILE 33 10.566 0.812 9.806 217 HG12 ILE 33 1HG1 ILE 33 11.283 0.026 12.163 218 HG13 ILE 33 2HG1 ILE 33 12.907 -0.082 11.495 219 HG21 ILE 33 1HG2 ILE 33 11.510 -2.031 10.168 220 HG22 ILE 33 2HG2 ILE 33 10.282 -1.476 9.031 221 HG23 ILE 33 3HG2 ILE 33 9.988 -1.368 10.766 222 HD11 ILE 33 1HD1 ILE 33 12.835 2.300 10.958 223 HD12 ILE 33 2HD1 ILE 33 12.571 2.005 12.677 224 HD13 ILE 33 3HD1 ILE 33 11.206 2.398 11.630 225 H ASN 34 H ASN 34 12.338 -1.917 7.607 226 HA ASN 34 HA ASN 34 10.872 -0.758 5.332 227 HB2 ASN 34 1HB ASN 34 11.764 -2.740 4.031 228 HB3 ASN 34 2HB ASN 34 12.977 -1.575 4.543 229 HD21 ASN 34 1HD2 ASN 34 14.684 -3.795 6.643 230 HD22 ASN 34 2HD2 ASN 34 14.447 -2.150 6.171 231 H VAL 35 H VAL 35 8.932 -1.549 4.817 232 HA VAL 35 HA VAL 35 7.432 -2.667 6.871 233 HB VAL 35 HB VAL 35 6.711 -2.574 3.932 234 HG11 VAL 35 1HG1 VAL 35 4.927 -2.709 6.370 235 HG12 VAL 35 2HG1 VAL 35 5.208 -4.021 5.224 236 HG13 VAL 35 3HG1 VAL 35 4.386 -2.552 4.698 237 HG21 VAL 35 1HG2 VAL 35 5.674 -0.409 4.449 238 HG22 VAL 35 2HG2 VAL 35 7.406 -0.379 4.785 239 HG23 VAL 35 3HG2 VAL 35 6.254 -0.521 6.113 240 H VAL 36 H VAL 36 9.148 -4.267 4.279 241 HA VAL 36 HA VAL 36 7.761 -6.715 4.288 242 HB VAL 36 HB VAL 36 9.721 -7.723 3.230 243 HG11 VAL 36 1HG1 VAL 36 9.106 -4.949 2.202 244 HG12 VAL 36 2HG1 VAL 36 8.219 -6.429 1.835 245 HG13 VAL 36 3HG1 VAL 36 9.879 -6.233 1.271 246 HG21 VAL 36 1HG2 VAL 36 11.481 -6.670 4.571 247 HG22 VAL 36 2HG2 VAL 36 11.142 -5.115 3.807 248 HG23 VAL 36 3HG2 VAL 36 11.774 -6.453 2.846 249 H ASP 37 H ASP 37 10.125 -5.400 6.498 250 HA ASP 37 HA ASP 37 11.002 -7.642 7.864 251 HB2 ASP 37 1HB ASP 37 10.317 -4.871 8.850 252 HB3 ASP 37 2HB ASP 37 10.861 -6.113 9.968 253 H LEU 38 H LEU 38 7.863 -6.066 7.972 254 HA LEU 38 HA LEU 38 6.937 -7.554 10.263 255 HB2 LEU 38 1HB LEU 38 5.496 -5.786 8.278 256 HB3 LEU 38 2HB LEU 38 4.698 -6.572 9.625 257 HG LEU 38 HG LEU 38 6.220 -5.320 11.183 258 HD11 LEU 38 1HD1 LEU 38 8.047 -4.829 9.650 259 HD12 LEU 38 2HD1 LEU 38 7.395 -3.347 10.348 260 HD13 LEU 38 3HD1 LEU 38 6.985 -3.797 8.691 261 HD21 LEU 38 1HD2 LEU 38 3.933 -4.580 10.744 262 HD22 LEU 38 2HD2 LEU 38 4.496 -3.636 9.363 263 HD23 LEU 38 3HD2 LEU 38 5.011 -3.208 10.995 264 H GLY 39 H GLY 39 7.188 -8.122 6.931 265 HA2 GLY 39 1HA GLY 39 6.486 -9.787 5.529 266 HA3 GLY 39 2HA GLY 39 6.370 -10.770 6.979 267 H LEU 40 H LEU 40 4.379 -7.944 6.771 268 HA LEU 40 HA LEU 40 2.009 -9.636 6.530 269 HB2 LEU 40 1HB LEU 40 2.092 -7.946 8.335 270 HB3 LEU 40 2HB LEU 40 2.224 -6.675 7.133 271 HG LEU 40 HG LEU 40 -0.031 -7.275 6.276 272 HD11 LEU 40 1HD1 LEU 40 -0.090 -9.190 8.609 273 HD12 LEU 40 2HD1 LEU 40 -0.067 -9.625 6.901 274 HD13 LEU 40 3HD1 LEU 40 -1.459 -8.782 7.574 275 HD21 LEU 40 1HD2 LEU 40 -1.313 -6.393 8.164 276 HD22 LEU 40 2HD2 LEU 40 0.195 -5.502 7.937 277 HD23 LEU 40 3HD2 LEU 40 0.061 -6.687 9.235 278 H VAL 41 H VAL 41 3.924 -7.486 4.682 279 HA VAL 41 HA VAL 41 2.003 -6.521 2.851 280 HB VAL 41 HB VAL 41 4.281 -5.550 3.186 281 HG11 VAL 41 1HG1 VAL 41 5.577 -7.607 3.261 282 HG12 VAL 41 2HG1 VAL 41 6.197 -6.531 2.010 283 HG13 VAL 41 3HG1 VAL 41 5.210 -7.924 1.566 284 HG21 VAL 41 1HG2 VAL 41 3.591 -6.278 0.336 285 HG22 VAL 41 2HG2 VAL 41 4.667 -4.969 0.829 286 HG23 VAL 41 3HG2 VAL 41 2.954 -4.909 1.249 287 H TYR 42 H TYR 42 3.279 -9.620 3.306 288 HA TYR 42 HA TYR 42 3.112 -10.609 0.633 289 HB2 TYR 42 2HB TYR 42 4.450 -11.771 2.327 290 HB3 TYR 42 1HB TYR 42 3.012 -12.064 3.296 291 HD1 TYR 42 1HD TYR 42 1.683 -13.987 2.922 292 HD2 TYR 42 2HD TYR 42 4.607 -12.872 0.029 293 HE1 TYR 42 1HE TYR 42 1.321 -16.113 1.740 294 HE2 TYR 42 2HE TYR 42 4.248 -14.995 -1.156 295 HH TYR 42 HH TYR 42 3.407 -17.264 -0.660 296 H GLY 43 H GLY 43 0.857 -9.960 3.165 297 HA2 GLY 43 1HA GLY 43 -1.275 -11.615 2.183 298 HA3 GLY 43 2HA GLY 43 -1.400 -10.342 3.392 299 H LEU 44 H LEU 44 -1.220 -10.984 -0.057 300 HA LEU 44 HA LEU 44 -2.729 -8.508 -0.491 301 HB2 LEU 44 1HB LEU 44 -1.479 -8.174 -2.619 302 HB3 LEU 44 2HB LEU 44 -0.524 -7.960 -1.167 303 HG LEU 44 HG LEU 44 0.226 -10.435 -1.600 304 HD11 LEU 44 1HD1 LEU 44 0.335 -11.019 -3.978 305 HD12 LEU 44 2HD1 LEU 44 -0.669 -9.619 -4.364 306 HD13 LEU 44 3HD1 LEU 44 -1.326 -10.939 -3.397 307 HD21 LEU 44 1HD2 LEU 44 1.204 -8.163 -3.330 308 HD22 LEU 44 2HD2 LEU 44 2.095 -9.637 -2.947 309 HD23 LEU 44 3HD2 LEU 44 1.702 -8.487 -1.669 310 H ASP 45 H ASP 45 -4.394 -8.625 -1.775 311 HA ASP 45 HA ASP 45 -4.795 -10.923 -3.567 312 HB2 ASP 45 1HB ASP 45 -7.017 -9.676 -1.903 313 HB3 ASP 45 2HB ASP 45 -7.138 -11.079 -2.953 314 H VAL 46 H VAL 46 -6.278 -10.313 -5.368 315 HA VAL 46 HA VAL 46 -7.036 -7.499 -5.530 316 HB VAL 46 HB VAL 46 -5.344 -8.756 -7.706 317 HG11 VAL 46 1HG1 VAL 46 -7.105 -7.335 -8.620 318 HG12 VAL 46 2HG1 VAL 46 -5.517 -6.603 -8.853 319 HG13 VAL 46 3HG1 VAL 46 -6.581 -6.010 -7.578 320 HG21 VAL 46 1HG2 VAL 46 -4.690 -6.449 -5.874 321 HG22 VAL 46 2HG2 VAL 46 -3.702 -6.993 -7.228 322 HG23 VAL 46 3HG2 VAL 46 -3.948 -8.050 -5.838 323 H GLN 47 H GLN 47 -9.066 -7.436 -6.221 324 HA GLN 47 HA GLN 47 -10.129 -9.705 -7.755 325 HB2 GLN 47 1HB GLN 47 -12.362 -8.757 -7.193 326 HB3 GLN 47 2HB GLN 47 -11.416 -9.194 -5.777 327 HG2 GLN 47 1HG GLN 47 -10.849 -6.858 -5.406 328 HG3 GLN 47 2HG GLN 47 -11.732 -6.398 -6.860 329 HE21 GLN 47 1HE2 GLN 47 -13.687 -7.152 -3.384 330 HE22 GLN 47 2HE2 GLN 47 -12.003 -7.484 -3.566 331 H ASP 48 H ASP 48 -10.333 -9.506 -9.875 332 HA ASP 48 HA ASP 48 -10.014 -6.884 -11.106 333 HB2 ASP 48 1HB ASP 48 -9.643 -8.041 -13.172 334 HB3 ASP 48 2HB ASP 48 -8.744 -8.903 -11.929 335 H GLY 49 H GLY 49 -11.562 -5.804 -12.176 336 HA2 GLY 49 1HA GLY 49 -14.076 -7.096 -12.886 337 HA3 GLY 49 2HA GLY 49 -14.164 -5.791 -11.706 338 H ASP 50 H ASP 50 -14.926 -6.217 -14.683 339 HA ASP 50 HA ASP 50 -13.372 -4.489 -16.261 340 HB2 ASP 50 1HB ASP 50 -16.315 -5.143 -16.581 341 HB3 ASP 50 2HB ASP 50 -15.245 -4.521 -17.834 342 H GLU 51 H GLU 51 -15.876 -3.900 -13.959 343 HA GLU 51 HA GLU 51 -16.403 -1.187 -14.683 344 HB2 GLU 51 1HB GLU 51 -16.799 -2.467 -11.964 345 HB3 GLU 51 2HB GLU 51 -17.595 -1.028 -12.583 346 HG2 GLU 51 1HG GLU 51 -19.245 -2.618 -12.801 347 HG3 GLU 51 2HG GLU 51 -18.524 -2.626 -14.409 348 H GLY 52 H GLY 52 -14.130 -2.833 -12.597 349 HA2 GLY 52 1HA GLY 52 -12.182 -0.856 -12.607 350 HA3 GLY 52 2HA GLY 52 -13.165 -0.578 -11.171 351 H THR 53 H THR 53 -10.390 -1.941 -12.123 352 HA THR 53 HA THR 53 -10.477 -4.444 -10.706 353 HB THR 53 HB THR 53 -8.043 -2.876 -11.610 354 HG1 THR 53 1HG THR 53 -8.299 -3.770 -13.565 355 HG21 THR 53 1HG2 THR 53 -6.962 -5.101 -11.656 356 HG22 THR 53 2HG2 THR 53 -8.435 -5.816 -10.997 357 HG23 THR 53 3HG2 THR 53 -7.505 -4.666 -10.035 358 H VAL 54 H VAL 54 -10.424 -4.614 -8.539 359 HA VAL 54 HA VAL 54 -9.336 -2.361 -6.975 360 HB VAL 54 HB VAL 54 -11.315 -4.472 -6.075 361 HG11 VAL 54 1HG1 VAL 54 -10.411 -1.911 -4.748 362 HG12 VAL 54 2HG1 VAL 54 -10.003 -3.550 -4.241 363 HG13 VAL 54 3HG1 VAL 54 -11.672 -2.988 -4.149 364 HG21 VAL 54 1HG2 VAL 54 -11.820 -1.609 -6.906 365 HG22 VAL 54 2HG2 VAL 54 -13.017 -2.709 -6.220 366 HG23 VAL 54 3HG2 VAL 54 -12.305 -3.053 -7.798 367 H ALA 55 H ALA 55 -7.516 -2.690 -5.898 368 HA ALA 55 HA ALA 55 -6.471 -5.421 -5.562 369 HB1 ALA 55 1HB ALA 55 -4.353 -4.301 -5.019 370 HB2 ALA 55 2HB ALA 55 -5.148 -2.728 -5.118 371 HB3 ALA 55 3HB ALA 55 -5.001 -3.735 -6.557 372 H LEU 56 H LEU 56 -6.669 -6.427 -3.654 373 HA LEU 56 HA LEU 56 -7.447 -4.920 -1.256 374 HB2 LEU 56 1HB LEU 56 -7.313 -7.923 -1.464 375 HB3 LEU 56 2HB LEU 56 -8.284 -6.944 -0.380 376 HG LEU 56 HG LEU 56 -8.744 -7.325 -3.343 377 HD11 LEU 56 1HD1 LEU 56 -10.292 -8.286 -0.936 378 HD12 LEU 56 2HD1 LEU 56 -9.332 -9.278 -2.034 379 HD13 LEU 56 3HD1 LEU 56 -10.788 -8.476 -2.620 380 HD21 LEU 56 1HD2 LEU 56 -10.364 -5.735 -1.345 381 HD22 LEU 56 2HD2 LEU 56 -10.797 -6.033 -3.029 382 HD23 LEU 56 3HD2 LEU 56 -9.377 -5.061 -2.645 383 H ILE 57 H ILE 57 -5.624 -4.184 -0.255 384 HA ILE 57 HA ILE 57 -3.309 -6.000 -0.012 385 HB ILE 57 HB ILE 57 -3.368 -2.980 0.266 386 HG12 ILE 57 1HG1 ILE 57 -2.335 -4.695 -2.019 387 HG13 ILE 57 2HG1 ILE 57 -3.808 -3.730 -2.053 388 HG21 ILE 57 1HG2 ILE 57 -0.927 -3.124 0.250 389 HG22 ILE 57 2HG2 ILE 57 -1.018 -4.882 0.145 390 HG23 ILE 57 3HG2 ILE 57 -1.598 -4.055 1.591 391 HD11 ILE 57 1HD1 ILE 57 -1.006 -2.668 -1.768 392 HD12 ILE 57 2HD1 ILE 57 -2.480 -1.699 -1.794 393 HD13 ILE 57 3HD1 ILE 57 -2.003 -2.617 -3.221 394 H ASP 58 H ASP 58 -2.863 -6.810 1.955 395 HA ASP 58 HA ASP 58 -4.322 -5.837 4.276 396 HB2 ASP 58 1HB ASP 58 -2.374 -8.143 3.956 397 HB3 ASP 58 2HB ASP 58 -3.217 -7.756 5.453 398 H MET 59 H MET 59 -3.571 -4.324 5.570 399 HA MET 59 HA MET 59 -0.688 -4.043 5.998 400 HB2 MET 59 1HB MET 59 -2.508 -1.850 5.001 401 HB3 MET 59 2HB MET 59 -0.994 -1.509 5.819 402 HG2 MET 59 1HG MET 59 0.199 -2.783 4.058 403 HG3 MET 59 2HG MET 59 -1.338 -2.986 3.216 404 HE1 MET 59 1HE MET 59 1.236 -0.328 4.604 405 HE2 MET 59 2HE MET 59 -0.308 0.239 5.241 406 HE3 MET 59 3HE MET 59 0.533 1.171 4.000 407 H THR 60 H THR 60 -0.240 -2.425 7.730 408 HA THR 60 HA THR 60 -2.385 -1.681 9.494 409 HB THR 60 HB THR 60 -1.858 -4.008 10.263 410 HG1 THR 60 1HG THR 60 -2.243 -3.320 12.227 411 HG21 THR 60 1HG2 THR 60 0.857 -2.840 10.927 412 HG22 THR 60 2HG2 THR 60 0.531 -4.055 9.690 413 HG23 THR 60 3HG2 THR 60 0.279 -4.439 11.392 414 H LEU 61 H LEU 61 -1.219 -0.617 11.535 415 HA LEU 61 HA LEU 61 0.972 1.039 10.455 416 HB2 LEU 61 1HB LEU 61 -1.050 1.702 12.613 417 HB3 LEU 61 2HB LEU 61 0.282 2.737 12.141 418 HG LEU 61 HG LEU 61 -1.623 3.649 11.095 419 HD11 LEU 61 1HD1 LEU 61 -0.263 1.953 8.996 420 HD12 LEU 61 2HD1 LEU 61 0.326 3.497 9.614 421 HD13 LEU 61 3HD1 LEU 61 -1.188 3.429 8.713 422 HD21 LEU 61 1HD2 LEU 61 -2.331 0.902 10.060 423 HD22 LEU 61 2HD2 LEU 61 -3.225 2.396 9.771 424 HD23 LEU 61 3HD2 LEU 61 -3.125 1.729 11.401 425 H THR 62 H THR 62 2.511 1.827 12.153 426 HA THR 62 HA THR 62 3.937 -0.236 13.230 427 HB THR 62 HB THR 62 5.004 1.530 14.726 428 HG1 THR 62 1HG THR 62 4.267 3.735 13.962 429 HG21 THR 62 1HG2 THR 62 4.707 2.157 11.779 430 HG22 THR 62 2HG2 THR 62 5.870 1.034 12.485 431 HG23 THR 62 3HG2 THR 62 5.988 2.759 12.832 432 H SER 63 H SER 63 1.912 1.987 15.170 433 HA SER 63 HA SER 63 1.831 -0.002 17.319 434 HB2 SER 63 1HB SER 63 0.803 2.849 17.277 435 HB3 SER 63 2HB SER 63 0.937 1.807 18.694 436 HG SER 63 HG SER 63 3.292 1.951 17.362 437 H ALA 64 H ALA 64 -0.019 1.052 14.696 438 HA ALA 64 HA ALA 64 -2.044 0.484 13.865 439 HB1 ALA 64 1HB ALA 64 -3.076 -1.588 14.605 440 HB2 ALA 64 2HB ALA 64 -2.049 -1.607 16.038 441 HB3 ALA 64 3HB ALA 64 -1.331 -1.784 14.437 442 H ALA 65 H ALA 65 -1.766 2.141 16.584 443 HA ALA 65 HA ALA 65 -4.673 2.248 17.101 444 HB1 ALA 65 1HB ALA 65 -2.414 2.952 18.987 445 HB2 ALA 65 2HB ALA 65 -3.402 1.494 19.057 446 HB3 ALA 65 3HB ALA 65 -4.137 3.069 19.347 447 H CYS 66 H CYS 66 -2.560 3.707 15.287 448 HA CYS 66 HA CYS 66 -3.474 6.440 15.891 449 HB2 CYS 66 2HB CYS 66 -1.039 6.135 16.257 450 HB3 CYS 66 1HB CYS 66 -0.866 5.602 14.590 451 HG CYS 66 HG CYS 66 -0.083 8.391 15.363 452 HA PRO 67 HA PRO 67 -5.392 5.925 11.881 453 HB2 PRO 67 2HB PRO 67 -6.511 8.388 11.701 454 HB3 PRO 67 1HB PRO 67 -7.161 7.122 12.749 455 HG2 PRO 67 2HG PRO 67 -5.413 9.452 13.455 456 HG3 PRO 67 1HG PRO 67 -6.822 8.807 14.318 457 HD2 PRO 67 2HD PRO 67 -4.255 8.258 15.050 458 HD3 PRO 67 1HD PRO 67 -5.600 7.133 15.324 459 H LEU 68 H LEU 68 -3.208 5.813 10.972 460 HA LEU 68 HA LEU 68 -2.429 8.275 9.541 461 HB2 LEU 68 1HB LEU 68 -0.712 6.999 10.908 462 HB3 LEU 68 2HB LEU 68 -0.901 5.671 9.779 463 HG LEU 68 HG LEU 68 -0.124 7.183 7.944 464 HD11 LEU 68 1HD1 LEU 68 0.985 9.281 8.527 465 HD12 LEU 68 2HD1 LEU 68 0.482 9.089 10.207 466 HD13 LEU 68 3HD1 LEU 68 -0.729 9.321 8.945 467 HD21 LEU 68 1HD2 LEU 68 1.795 6.864 10.256 468 HD22 LEU 68 2HD2 LEU 68 2.233 7.125 8.567 469 HD23 LEU 68 3HD2 LEU 68 1.416 5.638 9.045 470 H THR 69 H THR 69 -4.578 6.025 9.144 471 HA THR 69 HA THR 69 -3.849 4.578 6.849 472 HB THR 69 HB THR 69 -5.626 3.750 8.278 473 HG1 THR 69 1HG THR 69 -6.885 4.383 5.820 474 HG21 THR 69 1HG2 THR 69 -7.862 4.770 8.263 475 HG22 THR 69 2HG2 THR 69 -7.239 6.117 7.312 476 HG23 THR 69 3HG2 THR 69 -6.660 5.857 8.957 477 H ASP 70 H ASP 70 -5.597 7.646 7.248 478 HA ASP 70 HA ASP 70 -6.438 8.007 4.621 479 HB2 ASP 70 1HB ASP 70 -7.120 9.541 6.384 480 HB3 ASP 70 2HB ASP 70 -5.458 10.088 6.597 481 H VAL 71 H VAL 71 -3.333 8.764 6.124 482 HA VAL 71 HA VAL 71 -2.148 9.963 3.855 483 HB VAL 71 HB VAL 71 -0.799 8.614 6.208 484 HG11 VAL 71 1HG1 VAL 71 1.149 10.010 5.621 485 HG12 VAL 71 2HG1 VAL 71 0.298 10.576 4.183 486 HG13 VAL 71 3HG1 VAL 71 0.738 8.875 4.336 487 HG21 VAL 71 1HG2 VAL 71 -1.562 11.509 5.770 488 HG22 VAL 71 2HG2 VAL 71 -0.602 10.902 7.120 489 HG23 VAL 71 3HG2 VAL 71 -2.283 10.399 6.938 490 H ILE 72 H ILE 72 -1.827 6.662 5.235 491 HA ILE 72 HA ILE 72 -0.095 5.733 3.211 492 HB ILE 72 HB ILE 72 -0.498 3.498 3.938 493 HG12 ILE 72 1HG1 ILE 72 -2.823 4.576 5.553 494 HG13 ILE 72 2HG1 ILE 72 -2.972 3.619 4.083 495 HG21 ILE 72 1HG2 ILE 72 -0.548 5.379 6.305 496 HG22 ILE 72 2HG2 ILE 72 0.882 4.925 5.375 497 HG23 ILE 72 3HG2 ILE 72 0.019 3.708 6.315 498 HD11 ILE 72 1HD1 ILE 72 -1.723 2.719 6.659 499 HD12 ILE 72 2HD1 ILE 72 -1.856 1.763 5.185 500 HD13 ILE 72 3HD1 ILE 72 -3.314 2.258 6.048 501 H GLU 73 H GLU 73 -3.592 5.884 3.383 502 HA GLU 73 HA GLU 73 -4.136 4.304 1.090 503 HB2 GLU 73 1HB GLU 73 -5.759 6.430 2.507 504 HB3 GLU 73 2HB GLU 73 -6.358 5.568 1.096 505 HG2 GLU 73 1HG GLU 73 -6.129 3.446 2.319 506 HG3 GLU 73 2HG GLU 73 -5.587 4.337 3.741 507 H ASP 74 H ASP 74 -3.678 7.783 1.608 508 HA ASP 74 HA ASP 74 -4.333 8.556 -1.034 509 HB2 ASP 74 1HB ASP 74 -4.246 10.102 0.942 510 HB3 ASP 74 2HB ASP 74 -2.487 10.021 0.870 511 H GLN 75 H GLN 75 -1.229 7.836 0.534 512 HA GLN 75 HA GLN 75 0.396 8.358 -1.721 513 HB2 GLN 75 1HB GLN 75 0.896 6.516 0.631 514 HB3 GLN 75 2HB GLN 75 2.113 6.986 -0.548 515 HG2 GLN 75 1HG GLN 75 1.764 9.355 0.121 516 HG3 GLN 75 2HG GLN 75 0.674 8.790 1.385 517 HE21 GLN 75 1HE2 GLN 75 3.683 6.954 2.781 518 HE22 GLN 75 2HE2 GLN 75 2.285 6.409 1.929 519 H SER 76 H SER 76 -1.038 5.351 -0.482 520 HA SER 76 HA SER 76 0.002 3.593 -2.397 521 HB2 SER 76 1HB SER 76 -1.140 2.859 -0.321 522 HB3 SER 76 2HB SER 76 -2.674 3.436 -0.965 523 HG SER 76 HG SER 76 -1.426 1.094 -1.391 524 H ARG 77 H ARG 77 -3.160 5.220 -2.318 525 HA ARG 77 HA ARG 77 -4.124 4.469 -4.804 526 HB2 ARG 77 1HB ARG 77 -5.499 5.635 -3.150 527 HB3 ARG 77 2HB ARG 77 -4.519 7.084 -3.320 528 HG2 ARG 77 1HG ARG 77 -5.237 7.128 -5.752 529 HG3 ARG 77 2HG ARG 77 -6.414 5.882 -5.328 530 HD2 ARG 77 1HD ARG 77 -7.404 8.130 -5.287 531 HD3 ARG 77 2HD ARG 77 -7.431 7.379 -3.693 532 HE ARG 77 HE ARG 77 -6.064 9.037 -2.919 533 HH11 ARG 77 1HH1 ARG 77 -5.966 9.073 -6.422 534 HH12 ARG 77 2HH1 ARG 77 -4.979 10.500 -6.510 535 HH21 ARG 77 1HH2 ARG 77 -4.783 10.927 -3.026 536 HH22 ARG 77 2HH2 ARG 77 -4.319 11.562 -4.573 537 H SER 78 H SER 78 -2.019 7.165 -3.909 538 HA SER 78 HA SER 78 -2.098 8.633 -6.249 539 HB2 SER 78 1HB SER 78 -1.036 9.403 -4.144 540 HB3 SER 78 2HB SER 78 0.287 8.267 -4.404 541 HG SER 78 HG SER 78 1.033 9.472 -6.043 542 H ALA 79 H ALA 79 0.286 6.089 -5.382 543 HA ALA 79 HA ALA 79 1.520 6.234 -7.966 544 HB1 ALA 79 1HB ALA 79 1.808 4.136 -5.815 545 HB2 ALA 79 2HB ALA 79 2.778 5.601 -5.961 546 HB3 ALA 79 3HB ALA 79 2.875 4.354 -7.204 547 H LEU 80 H LEU 80 -0.599 3.845 -6.361 548 HA LEU 80 HA LEU 80 -0.371 1.885 -8.362 549 HB2 LEU 80 1HB LEU 80 -2.586 2.324 -6.352 550 HB3 LEU 80 2HB LEU 80 -2.406 0.881 -7.332 551 HG LEU 80 HG LEU 80 -0.443 1.848 -5.241 552 HD11 LEU 80 1HD1 LEU 80 -1.133 -0.136 -3.986 553 HD12 LEU 80 2HD1 LEU 80 -2.330 -0.511 -5.228 554 HD13 LEU 80 3HD1 LEU 80 -2.489 0.958 -4.263 555 HD21 LEU 80 1HD2 LEU 80 0.723 0.731 -7.054 556 HD22 LEU 80 2HD2 LEU 80 -0.397 -0.630 -6.972 557 HD23 LEU 80 3HD2 LEU 80 0.697 -0.303 -5.626 558 H VAL 81 H VAL 81 -2.744 4.432 -7.885 559 HA VAL 81 HA VAL 81 -4.271 3.706 -10.215 560 HB VAL 81 HB VAL 81 -4.401 6.216 -8.520 561 HG11 VAL 81 1HG1 VAL 81 -5.388 6.562 -10.722 562 HG12 VAL 81 2HG1 VAL 81 -6.645 6.507 -9.487 563 HG13 VAL 81 3HG1 VAL 81 -6.372 5.110 -10.529 564 HG21 VAL 81 1HG2 VAL 81 -6.344 5.150 -7.448 565 HG22 VAL 81 2HG2 VAL 81 -4.863 4.224 -7.194 566 HG23 VAL 81 3HG2 VAL 81 -6.049 3.684 -8.384 567 H GLY 82 H GLY 82 -1.484 5.658 -9.513 568 HA2 GLY 82 1HA GLY 82 -1.937 7.607 -11.603 569 HA3 GLY 82 2HA GLY 82 -0.488 7.434 -10.623 570 H SER 83 H SER 83 0.239 4.864 -11.121 571 HA SER 83 HA SER 83 1.309 5.046 -13.795 572 HB2 SER 83 1HB SER 83 1.676 2.884 -11.699 573 HB3 SER 83 2HB SER 83 2.675 3.138 -13.135 574 HG SER 83 HG SER 83 3.178 4.114 -10.834 575 H GLY 84 H GLY 84 -1.581 4.072 -12.699 576 HA2 GLY 84 1HA GLY 84 -3.291 2.892 -13.661 577 HA3 GLY 84 2HA GLY 84 -2.273 2.715 -15.082 578 H LEU 85 H LEU 85 -1.479 1.571 -11.846 579 HA LEU 85 HA LEU 85 -1.034 -1.098 -12.824 580 HB2 LEU 85 1HB LEU 85 -1.037 -0.057 -9.980 581 HB3 LEU 85 2HB LEU 85 -0.418 -1.614 -10.501 582 HG LEU 85 HG LEU 85 0.721 1.086 -11.263 583 HD11 LEU 85 1HD1 LEU 85 2.639 0.408 -9.895 584 HD12 LEU 85 2HD1 LEU 85 1.776 -1.053 -9.416 585 HD13 LEU 85 3HD1 LEU 85 1.161 0.530 -8.942 586 HD21 LEU 85 1HD2 LEU 85 1.678 -1.699 -11.945 587 HD22 LEU 85 2HD2 LEU 85 2.556 -0.205 -12.277 588 HD23 LEU 85 3HD2 LEU 85 1.013 -0.515 -13.072 589 H VAL 86 H VAL 86 -3.356 0.506 -10.711 590 HA VAL 86 HA VAL 86 -5.372 -1.501 -11.378 591 HB VAL 86 HB VAL 86 -6.160 -1.655 -9.036 592 HG11 VAL 86 1HG1 VAL 86 -3.294 -2.534 -9.414 593 HG12 VAL 86 2HG1 VAL 86 -4.738 -3.429 -9.891 594 HG13 VAL 86 3HG1 VAL 86 -4.400 -3.150 -8.185 595 HG21 VAL 86 1HG2 VAL 86 -3.612 -0.178 -8.342 596 HG22 VAL 86 2HG2 VAL 86 -4.727 -0.910 -7.186 597 HG23 VAL 86 3HG2 VAL 86 -5.255 0.445 -8.182 598 H ASP 87 H ASP 87 -7.582 -0.695 -10.533 599 HA ASP 87 HA ASP 87 -7.769 2.138 -11.228 600 HB2 ASP 87 1HB ASP 87 -9.939 0.051 -10.861 601 HB3 ASP 87 2HB ASP 87 -10.218 1.715 -11.364 602 H ASP 88 H ASP 88 -8.815 -0.075 -8.650 603 HA ASP 88 HA ASP 88 -8.923 2.231 -6.823 604 HB2 ASP 88 1HB ASP 88 -10.980 0.028 -7.074 605 HB3 ASP 88 2HB ASP 88 -10.886 1.108 -5.686 606 H ILE 89 H ILE 89 -8.490 1.782 -4.647 607 HA ILE 89 HA ILE 89 -7.003 -0.732 -4.223 608 HB ILE 89 HB ILE 89 -5.595 0.437 -2.628 609 HG12 ILE 89 1HG1 ILE 89 -7.096 2.977 -3.345 610 HG13 ILE 89 2HG1 ILE 89 -7.350 2.066 -1.860 611 HG21 ILE 89 1HG2 ILE 89 -5.798 1.923 -5.252 612 HG22 ILE 89 2HG2 ILE 89 -4.872 0.454 -4.945 613 HG23 ILE 89 3HG2 ILE 89 -4.412 1.965 -4.163 614 HD11 ILE 89 1HD1 ILE 89 -4.766 3.371 -2.693 615 HD12 ILE 89 2HD1 ILE 89 -5.051 2.488 -1.193 616 HD13 ILE 89 3HD1 ILE 89 -5.911 3.995 -1.507 617 H ARG 90 H ARG 90 -7.161 -1.727 -2.202 618 HA ARG 90 HA ARG 90 -9.211 -0.746 -0.331 619 HB2 ARG 90 1HB ARG 90 -9.917 -2.652 -2.037 620 HB3 ARG 90 2HB ARG 90 -9.000 -3.680 -0.951 621 HG2 ARG 90 1HG ARG 90 -11.498 -2.110 -0.369 622 HG3 ARG 90 2HG ARG 90 -11.267 -3.854 -0.325 623 HD2 ARG 90 1HD ARG 90 -11.279 -3.307 1.922 624 HD3 ARG 90 2HD ARG 90 -9.551 -3.307 1.564 625 HE ARG 90 HE ARG 90 -9.957 -0.779 1.228 626 HH11 ARG 90 1HH1 ARG 90 -11.529 -2.788 3.622 627 HH12 ARG 90 2HH1 ARG 90 -11.846 -1.466 4.695 628 HH21 ARG 90 1HH2 ARG 90 -10.368 0.959 2.623 629 HH22 ARG 90 2HH2 ARG 90 -11.209 0.679 4.116 630 H ILE 91 H ILE 91 -7.888 -0.336 1.406 631 HA ILE 91 HA ILE 91 -5.731 -2.223 1.999 632 HB ILE 91 HB ILE 91 -6.345 0.464 3.258 633 HG12 ILE 91 1HG1 ILE 91 -4.255 -0.381 1.224 634 HG13 ILE 91 2HG1 ILE 91 -5.615 0.699 0.939 635 HG21 ILE 91 1HG2 ILE 91 -3.942 -1.336 3.617 636 HG22 ILE 91 2HG2 ILE 91 -5.205 -1.049 4.815 637 HG23 ILE 91 3HG2 ILE 91 -4.147 0.272 4.318 638 HD11 ILE 91 1HD1 ILE 91 -3.254 1.244 2.730 639 HD12 ILE 91 2HD1 ILE 91 -4.626 2.324 2.490 640 HD13 ILE 91 3HD1 ILE 91 -3.556 1.945 1.142 641 H ASN 92 H ASN 92 -6.187 -3.860 3.245 642 HA ASN 92 HA ASN 92 -8.381 -3.785 5.163 643 HB2 ASN 92 1HB ASN 92 -8.078 -5.773 3.706 644 HB3 ASN 92 2HB ASN 92 -6.481 -6.027 4.395 645 HD21 ASN 92 1HD2 ASN 92 -7.652 -7.450 7.393 646 HD22 ASN 92 2HD2 ASN 92 -6.337 -6.637 6.619 647 H TRP 93 H TRP 93 -7.830 -2.717 6.987 648 HA TRP 93 HA TRP 93 -5.119 -2.725 7.993 649 HB2 TRP 93 2HB TRP 93 -7.551 -1.548 9.349 650 HB3 TRP 93 1HB TRP 93 -5.864 -1.093 9.572 651 HD1 TRP 93 1HD TRP 93 -4.702 0.148 7.341 652 HE1 TRP 93 1HE TRP 93 -5.788 1.824 5.719 653 HE3 TRP 93 3HE TRP 93 -9.627 -0.871 8.277 654 HZ2 TRP 93 2HZ TRP 93 -8.374 2.606 4.932 655 HZ3 TRP 93 3HZ TRP 93 -11.345 0.389 7.043 656 HH2 TRP 93 2HH TRP 93 -10.729 2.093 5.404 657 H VAL 94 H VAL 94 -4.489 -4.574 8.987 658 HA VAL 94 HA VAL 94 -6.338 -5.995 10.742 659 HB VAL 94 HB VAL 94 -3.398 -6.563 10.280 660 HG11 VAL 94 1HG1 VAL 94 -3.966 -8.827 11.071 661 HG12 VAL 94 2HG1 VAL 94 -5.609 -8.278 11.406 662 HG13 VAL 94 3HG1 VAL 94 -4.252 -7.591 12.299 663 HG21 VAL 94 1HG2 VAL 94 -4.159 -8.308 8.688 664 HG22 VAL 94 2HG2 VAL 94 -4.542 -6.675 8.143 665 HG23 VAL 94 3HG2 VAL 94 -5.806 -7.691 8.835 666 H TRP 95 H TRP 95 -6.546 -5.482 12.832 667 HA TRP 95 HA TRP 95 -4.277 -4.203 14.238 668 HB2 TRP 95 2HB TRP 95 -7.227 -3.804 14.822 669 HB3 TRP 95 1HB TRP 95 -5.885 -3.006 15.632 670 HD1 TRP 95 1HD TRP 95 -4.209 -1.890 13.273 671 HE1 TRP 95 1HE TRP 95 -5.156 -0.073 11.716 672 HE3 TRP 95 3HE TRP 95 -9.200 -2.632 14.097 673 HZ2 TRP 95 2HZ TRP 95 -7.689 0.924 10.943 674 HZ3 TRP 95 3HZ TRP 95 -10.819 -1.203 12.919 675 HH2 TRP 95 2HH TRP 95 -10.079 0.539 11.374 676 H ASN 96 H ASN 96 -6.396 -6.803 14.043 677 HA ASN 96 HA ASN 96 -5.439 -8.366 16.068 678 HB2 ASN 96 1HB ASN 96 -6.278 -6.686 17.677 679 HB3 ASN 96 2HB ASN 96 -7.901 -6.859 17.018 680 HD21 ASN 96 1HD2 ASN 96 -6.381 -9.578 19.618 681 HD22 ASN 96 2HD2 ASN 96 -5.398 -8.348 18.904 682 HA PRO 97 HA PRO 97 -9.592 -10.067 14.174 683 HB2 PRO 97 2HB PRO 97 -10.774 -8.438 12.316 684 HB3 PRO 97 1HB PRO 97 -11.274 -8.487 14.010 685 HG2 PRO 97 2HG PRO 97 -9.479 -6.527 12.624 686 HG3 PRO 97 1HG PRO 97 -10.774 -6.221 13.798 687 HD2 PRO 97 2HD PRO 97 -8.170 -6.226 14.512 688 HD3 PRO 97 1HD PRO 97 -9.446 -6.798 15.608 689 HA PRO 98 HA PRO 98 -6.785 -11.058 10.889 690 HB2 PRO 98 2HB PRO 98 -8.113 -13.138 9.744 691 HB3 PRO 98 1HB PRO 98 -7.289 -13.264 11.303 692 HG2 PRO 98 2HG PRO 98 -10.202 -12.864 10.726 693 HG3 PRO 98 1HG PRO 98 -9.436 -13.907 11.939 694 HD2 PRO 98 2HD PRO 98 -10.513 -11.471 12.534 695 HD3 PRO 98 1HD PRO 98 -9.148 -12.171 13.428 696 H TRP 99 H TRP 99 -9.615 -12.075 9.102 697 HA TRP 99 HA TRP 99 -9.611 -9.673 7.444 698 HB2 TRP 99 2HB TRP 99 -9.100 -12.429 6.271 699 HB3 TRP 99 1HB TRP 99 -9.228 -10.920 5.375 700 HD1 TRP 99 1HD TRP 99 -7.202 -9.049 6.007 701 HE1 TRP 99 1HE TRP 99 -4.717 -9.496 6.434 702 HE3 TRP 99 3HE TRP 99 -7.443 -14.050 7.066 703 HZ2 TRP 99 2HZ TRP 99 -3.059 -11.670 7.123 704 HZ3 TRP 99 3HZ TRP 99 -5.353 -15.239 7.592 705 HH2 TRP 99 2HH TRP 99 -3.204 -14.073 7.619 706 H GLY 100 H GLY 100 -11.406 -9.733 5.842 707 HA2 GLY 100 1HA GLY 100 -13.364 -11.632 5.568 708 HA3 GLY 100 2HA GLY 100 -13.803 -10.765 7.034 709 HA PRO 101 HA PRO 101 -16.045 -8.269 4.000 710 HB2 PRO 101 2HB PRO 101 -17.138 -6.564 5.867 711 HB3 PRO 101 1HB PRO 101 -17.822 -8.138 5.452 712 HG2 PRO 101 2HG PRO 101 -16.067 -7.389 7.765 713 HG3 PRO 101 1HG PRO 101 -17.504 -8.431 7.740 714 HD2 PRO 101 2HD PRO 101 -15.029 -9.469 7.785 715 HD3 PRO 101 1HD PRO 101 -16.337 -10.239 6.861 716 H ASP 102 H ASP 102 -13.679 -7.359 6.325 717 HA ASP 102 HA ASP 102 -13.371 -4.619 5.752 718 HB2 ASP 102 1HB ASP 102 -11.212 -6.557 6.625 719 HB3 ASP 102 2HB ASP 102 -11.224 -4.811 6.861 720 H LYS 103 H LYS 103 -12.756 -7.333 3.842 721 HA LYS 103 HA LYS 103 -10.621 -6.271 2.246 722 HB2 LYS 103 1HB LYS 103 -12.582 -8.529 1.774 723 HB3 LYS 103 2HB LYS 103 -11.289 -8.123 0.658 724 HG2 LYS 103 1HG LYS 103 -10.784 -8.862 3.534 725 HG3 LYS 103 2HG LYS 103 -10.857 -10.049 2.232 726 HD2 LYS 103 1HD LYS 103 -9.024 -8.817 1.074 727 HD3 LYS 103 2HD LYS 103 -8.909 -7.744 2.471 728 HE2 LYS 103 1HE LYS 103 -8.285 -9.589 3.900 729 HE3 LYS 103 2HE LYS 103 -8.563 -10.745 2.596 730 HZ1 LYS 103 1HZ LYS 103 -6.728 -9.785 1.377 731 HZ2 LYS 103 2HZ LYS 103 -6.204 -10.242 2.917 732 HZ3 LYS 103 3HZ LYS 103 -6.492 -8.614 2.578 733 H ILE 104 H ILE 104 -13.722 -5.289 2.622 734 HA ILE 104 HA ILE 104 -13.895 -4.233 -0.133 735 HB ILE 104 HB ILE 104 -16.145 -4.620 1.866 736 HG12 ILE 104 1HG1 ILE 104 -15.509 -6.167 -0.666 737 HG13 ILE 104 2HG1 ILE 104 -15.310 -6.764 0.978 738 HG21 ILE 104 1HG2 ILE 104 -17.637 -4.017 0.018 739 HG22 ILE 104 2HG2 ILE 104 -16.243 -3.735 -1.024 740 HG23 ILE 104 3HG2 ILE 104 -16.513 -2.708 0.384 741 HD11 ILE 104 1HD1 ILE 104 -17.326 -7.645 -0.054 742 HD12 ILE 104 2HD1 ILE 104 -17.923 -6.005 -0.313 743 HD13 ILE 104 3HD1 ILE 104 -17.718 -6.621 1.327 744 H THR 105 H THR 105 -14.025 -2.010 -0.377 745 HA THR 105 HA THR 105 -13.252 -0.353 1.801 746 HB THR 105 HB THR 105 -13.770 1.535 0.157 747 HG1 THR 105 1HG THR 105 -14.080 0.774 -2.041 748 HG21 THR 105 1HG2 THR 105 -11.855 1.039 -1.293 749 HG22 THR 105 2HG2 THR 105 -11.901 -0.648 -0.783 750 HG23 THR 105 3HG2 THR 105 -11.509 0.614 0.384 751 H GLU 106 H GLU 106 -14.421 1.248 2.869 752 HA GLU 106 HA GLU 106 -17.160 0.919 3.402 753 HB2 GLU 106 1HB GLU 106 -15.658 2.108 4.916 754 HB3 GLU 106 2HB GLU 106 -15.342 3.329 3.693 755 HG2 GLU 106 1HG GLU 106 -17.689 4.047 3.829 756 HG3 GLU 106 2HG GLU 106 -17.970 2.844 5.090 757 H ASP 107 H ASP 107 -15.361 2.866 1.130 758 HA ASP 107 HA ASP 107 -17.350 4.420 -0.033 759 HB2 ASP 107 1HB ASP 107 -14.971 4.710 -0.514 760 HB3 ASP 107 2HB ASP 107 -14.900 3.124 -1.270 761 H GLY 108 H GLY 108 -16.175 1.201 -1.025 762 HA2 GLY 108 1HA GLY 108 -17.949 0.848 -3.176 763 HA3 GLY 108 2HA GLY 108 -17.096 -0.437 -2.333 764 H ARG 109 H ARG 109 -18.279 0.116 0.250 765 HA ARG 109 HA ARG 109 -20.677 -1.417 -0.035 766 HB2 ARG 109 1HB ARG 109 -19.167 -1.659 1.911 767 HB3 ARG 109 2HB ARG 109 -19.551 -0.016 2.408 768 HG2 ARG 109 1HG ARG 109 -21.913 -0.683 2.689 769 HG3 ARG 109 2HG ARG 109 -21.471 -2.338 2.265 770 HD2 ARG 109 1HD ARG 109 -19.927 -2.379 4.202 771 HD3 ARG 109 2HD ARG 109 -20.472 -0.759 4.639 772 HE ARG 109 HE ARG 109 -22.594 -2.699 4.379 773 HH11 ARG 109 1HH1 ARG 109 -20.287 -1.218 6.564 774 HH12 ARG 109 2HH1 ARG 109 -21.168 -1.663 7.989 775 HH21 ARG 109 1HH2 ARG 109 -23.735 -3.298 6.247 776 HH22 ARG 109 2HH2 ARG 109 -23.128 -2.856 7.812 777 H GLU 110 H GLU 110 -19.908 1.955 0.481 778 HA GLU 110 HA GLU 110 -22.472 2.828 1.312 779 HB2 GLU 110 1HB GLU 110 -20.099 3.953 1.479 780 HB3 GLU 110 2HB GLU 110 -20.520 4.621 -0.089 781 HG2 GLU 110 1HG GLU 110 -22.231 4.948 2.368 782 HG3 GLU 110 2HG GLU 110 -20.972 6.086 1.902 783 H GLN 111 H GLN 111 -20.823 2.786 -1.804 784 HA GLN 111 HA GLN 111 -23.177 3.963 -3.074 785 HB2 GLN 111 1HB GLN 111 -20.518 3.374 -4.371 786 HB3 GLN 111 2HB GLN 111 -21.752 4.521 -4.888 787 HG2 GLN 111 1HG GLN 111 -21.334 5.809 -2.792 788 HG3 GLN 111 2HG GLN 111 -19.994 4.718 -2.448 789 HE21 GLN 111 1HE2 GLN 111 -18.885 7.855 -4.219 790 HE22 GLN 111 2HE2 GLN 111 -19.946 7.585 -2.883 791 H LEU 112 H LEU 112 -24.418 2.028 -2.789 792 HA LEU 112 HA LEU 112 -23.978 0.091 -4.970 793 HB2 LEU 112 1HB LEU 112 -24.983 -0.441 -2.167 794 HB3 LEU 112 2HB LEU 112 -25.153 -1.589 -3.481 795 HG LEU 112 HG LEU 112 -22.508 -0.581 -2.415 796 HD11 LEU 112 1HD1 LEU 112 -23.662 -1.956 -0.760 797 HD12 LEU 112 2HD1 LEU 112 -22.269 -2.806 -1.430 798 HD13 LEU 112 3HD1 LEU 112 -23.898 -3.226 -1.964 799 HD21 LEU 112 1HD2 LEU 112 -23.164 -2.765 -4.400 800 HD22 LEU 112 2HD2 LEU 112 -21.556 -2.407 -3.761 801 HD23 LEU 112 3HD2 LEU 112 -22.393 -1.220 -4.763 802 H ARG 113 H ARG 113 -26.397 -1.261 -4.755 803 HA ARG 113 HA ARG 113 -28.133 0.348 -6.201 804 HB2 ARG 113 1HB ARG 113 -29.851 -1.396 -5.773 805 HB3 ARG 113 2HB ARG 113 -28.310 -2.048 -6.311 806 HG2 ARG 113 1HG ARG 113 -27.757 -2.697 -4.037 807 HG3 ARG 113 2HG ARG 113 -29.258 -1.981 -3.448 808 HD2 ARG 113 1HD ARG 113 -29.378 -4.443 -3.706 809 HD3 ARG 113 2HD ARG 113 -30.569 -3.579 -4.676 810 HE ARG 113 HE ARG 113 -28.805 -3.894 -6.536 811 HH11 ARG 113 1HH1 ARG 113 -29.448 -6.190 -3.978 812 HH12 ARG 113 2HH1 ARG 113 -29.023 -7.572 -4.935 813 HH21 ARG 113 1HH2 ARG 113 -28.263 -5.708 -7.813 814 HH22 ARG 113 2HH2 ARG 113 -28.361 -7.298 -7.126 815 H ALA 114 H ALA 114 -27.875 -0.044 -2.727 816 HA ALA 114 HA ALA 114 -30.358 1.014 -1.953 817 HB1 ALA 114 1HB ALA 114 -28.853 -0.116 -0.388 818 HB2 ALA 114 2HB ALA 114 -29.305 1.482 0.206 819 HB3 ALA 114 3HB ALA 114 -27.712 1.223 -0.506 820 H LEU 115 H LEU 115 -27.468 2.557 -3.130 821 HA LEU 115 HA LEU 115 -28.152 5.219 -2.334 822 HB2 LEU 115 1HB LEU 115 -25.837 4.564 -2.837 823 HB3 LEU 115 2HB LEU 115 -26.282 4.221 -4.497 824 HG LEU 115 HG LEU 115 -26.788 6.614 -4.853 825 HD11 LEU 115 1HD1 LEU 115 -25.759 6.961 -2.037 826 HD12 LEU 115 2HD1 LEU 115 -27.414 7.230 -2.586 827 HD13 LEU 115 3HD1 LEU 115 -26.113 8.264 -3.171 828 HD21 LEU 115 1HD2 LEU 115 -24.026 6.111 -3.734 829 HD22 LEU 115 2HD2 LEU 115 -24.485 7.411 -4.836 830 HD23 LEU 115 3HD2 LEU 115 -24.561 5.734 -5.372 831 H GLY 116 H GLY 116 -29.036 3.115 -4.926 832 HA2 GLY 116 1HA GLY 116 -30.731 3.338 -6.471 833 HA3 GLY 116 2HA GLY 116 -31.051 4.946 -5.840 834 H PHE 117 H PHE 117 -31.358 5.522 -8.096 835 HA PHE 117 HA PHE 117 -29.154 5.421 -9.920 836 HB2 PHE 117 2HB PHE 117 -31.731 7.013 -10.051 837 HB3 PHE 117 1HB PHE 117 -30.591 6.809 -11.379 838 HD1 PHE 117 1HD PHE 117 -30.326 4.610 -12.462 839 HD2 PHE 117 2HD PHE 117 -33.273 5.278 -9.457 840 HE1 PHE 117 1HE PHE 117 -31.492 2.556 -13.148 841 HE2 PHE 117 2HE PHE 117 -34.439 3.223 -10.143 842 HZ PHE 117 HZ PHE 117 -33.548 1.860 -11.990 843 H THR 118 H THR 118 -27.412 6.473 -9.003 844 HA THR 118 HA THR 118 -27.534 9.100 -7.928 845 HB THR 118 HB THR 118 -25.683 7.587 -7.366 846 HG1 THR 118 1HG THR 118 -25.443 10.146 -8.119 847 HG21 THR 118 1HG2 THR 118 -25.417 6.458 -9.526 848 HG22 THR 118 2HG2 THR 118 -23.885 7.138 -8.978 849 HG23 THR 118 3HG2 THR 118 -24.807 7.955 -10.239 850 H VAL 119 H VAL 119 -27.509 7.871 -11.118 851 HA VAL 119 HA VAL 119 -26.934 10.528 -12.245 852 HB VAL 119 HB VAL 119 -27.066 7.850 -13.673 853 HG11 VAL 119 1HG1 VAL 119 -26.179 10.560 -14.684 854 HG12 VAL 119 2HG1 VAL 119 -27.676 9.734 -15.117 855 HG13 VAL 119 3HG1 VAL 119 -26.122 9.046 -15.591 856 HG21 VAL 119 1HG2 VAL 119 -24.613 8.057 -13.877 857 HG22 VAL 119 2HG2 VAL 119 -25.132 7.937 -12.197 858 HG23 VAL 119 3HG2 VAL 119 -24.661 9.501 -12.863 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 18.989 -8.356 2.754 2 H2 GLY 1 2H GLY 1 17.313 -8.557 2.859 3 H3 GLY 1 3H GLY 1 17.982 -7.707 1.560 4 HA2 GLY 1 1HA GLY 1 19.090 -9.720 0.793 5 HA3 GLY 1 2HA GLY 1 18.336 -10.594 2.118 6 HA PRO 2 HA PRO 2 15.505 -10.836 -1.563 7 HB2 PRO 2 2HB PRO 2 15.218 -13.522 -1.627 8 HB3 PRO 2 1HB PRO 2 16.607 -12.712 -2.365 9 HG2 PRO 2 2HG PRO 2 16.416 -14.091 0.291 10 HG3 PRO 2 1HG PRO 2 17.702 -14.187 -0.925 11 HD2 PRO 2 2HD PRO 2 17.854 -12.603 1.300 12 HD3 PRO 2 1HD PRO 2 18.677 -12.219 -0.226 13 H GLY 3 H GLY 3 13.267 -11.430 -1.598 14 HA2 GLY 3 1HA GLY 3 11.648 -12.816 -0.053 15 HA3 GLY 3 2HA GLY 3 12.078 -11.541 1.079 16 H SER 4 H SER 4 12.205 -9.372 -0.650 17 HA SER 4 HA SER 4 9.346 -9.007 -1.242 18 HB2 SER 4 1HB SER 4 11.522 -6.925 -0.855 19 HB3 SER 4 2HB SER 4 9.792 -6.610 -1.022 20 HG SER 4 HG SER 4 10.828 -8.268 1.019 21 H MET 5 H MET 5 8.658 -8.557 -3.268 22 HA MET 5 HA MET 5 10.610 -8.783 -5.427 23 HB2 MET 5 1HB MET 5 8.659 -9.044 -6.900 24 HB3 MET 5 2HB MET 5 8.592 -10.171 -5.555 25 HG2 MET 5 1HG MET 5 6.914 -8.856 -4.455 26 HG3 MET 5 2HG MET 5 7.083 -7.568 -5.645 27 HE1 MET 5 1HE MET 5 5.294 -11.726 -6.572 28 HE2 MET 5 2HE MET 5 5.847 -11.227 -4.973 29 HE3 MET 5 3HE MET 5 7.014 -11.475 -6.273 30 H SER 6 H SER 6 9.388 -7.371 -7.451 31 HA SER 6 HA SER 6 9.727 -4.579 -6.597 32 HB2 SER 6 1HB SER 6 9.656 -5.664 -9.427 33 HB3 SER 6 2HB SER 6 10.247 -4.089 -8.894 34 HG SER 6 HG SER 6 11.802 -5.434 -7.597 35 H GLU 7 H GLU 7 7.311 -6.247 -6.217 36 HA GLU 7 HA GLU 7 5.094 -6.395 -6.573 37 HB2 GLU 7 1HB GLU 7 5.298 -3.463 -7.296 38 HB3 GLU 7 2HB GLU 7 3.895 -4.304 -6.647 39 HG2 GLU 7 1HG GLU 7 6.427 -3.507 -5.258 40 HG3 GLU 7 2HG GLU 7 4.758 -3.173 -4.805 41 H THR 8 H THR 8 4.860 -7.762 -8.245 42 HA THR 8 HA THR 8 5.583 -7.162 -10.910 43 HB THR 8 HB THR 8 4.367 -9.317 -11.444 44 HG1 THR 8 1HG THR 8 2.880 -9.107 -9.621 45 HG21 THR 8 1HG2 THR 8 6.388 -9.361 -9.192 46 HG22 THR 8 2HG2 THR 8 6.748 -9.325 -10.920 47 HG23 THR 8 3HG2 THR 8 5.968 -10.739 -10.210 48 H SER 9 H SER 9 4.535 -5.364 -11.652 49 HA SER 9 HA SER 9 2.032 -5.873 -12.942 50 HB2 SER 9 1HB SER 9 1.220 -5.119 -10.709 51 HB3 SER 9 2HB SER 9 2.136 -3.623 -10.894 52 HG SER 9 HG SER 9 -0.277 -4.350 -11.965 53 H ALA 10 H ALA 10 1.589 -4.226 -14.564 54 HA ALA 10 HA ALA 10 2.158 -2.742 -16.189 55 HB1 ALA 10 1HB ALA 10 2.331 -1.155 -14.312 56 HB2 ALA 10 2HB ALA 10 3.491 -0.788 -15.589 57 HB3 ALA 10 3HB ALA 10 4.031 -1.585 -14.111 58 HA PRO 11 HA PRO 11 5.821 -4.235 -18.295 59 HB2 PRO 11 2HB PRO 11 6.736 -1.986 -19.590 60 HB3 PRO 11 1HB PRO 11 5.377 -2.964 -20.152 61 HG2 PRO 11 2HG PRO 11 5.351 -0.412 -18.584 62 HG3 PRO 11 1HG PRO 11 4.324 -0.899 -19.946 63 HD2 PRO 11 2HD PRO 11 3.448 -1.015 -17.405 64 HD3 PRO 11 1HD PRO 11 2.971 -2.234 -18.607 65 H ALA 12 H ALA 12 8.009 -4.419 -17.972 66 HA ALA 12 HA ALA 12 8.988 -3.801 -15.466 67 HB1 ALA 12 1HB ALA 12 9.850 -5.626 -16.826 68 HB2 ALA 12 2HB ALA 12 11.163 -4.583 -16.280 69 HB3 ALA 12 3HB ALA 12 10.582 -4.471 -17.941 70 H GLU 13 H GLU 13 9.468 -2.033 -18.477 71 HA GLU 13 HA GLU 13 11.594 -0.381 -17.767 72 HB2 GLU 13 1HB GLU 13 9.234 0.246 -19.567 73 HB3 GLU 13 2HB GLU 13 10.686 1.229 -19.460 74 HG2 GLU 13 1HG GLU 13 10.820 -0.139 -21.414 75 HG3 GLU 13 2HG GLU 13 12.013 -0.699 -20.246 76 H GLU 14 H GLU 14 8.123 0.189 -17.396 77 HA GLU 14 HA GLU 14 8.543 2.714 -16.055 78 HB2 GLU 14 1HB GLU 14 6.016 1.122 -16.575 79 HB3 GLU 14 2HB GLU 14 6.067 2.750 -15.907 80 HG2 GLU 14 1HG GLU 14 7.022 3.613 -17.948 81 HG3 GLU 14 2HG GLU 14 7.137 1.988 -18.619 82 H LEU 15 H LEU 15 7.584 -0.567 -15.244 83 HA LEU 15 HA LEU 15 6.673 -0.211 -12.655 84 HB2 LEU 15 1HB LEU 15 6.416 -2.283 -13.928 85 HB3 LEU 15 2HB LEU 15 8.140 -2.570 -13.855 86 HG LEU 15 HG LEU 15 6.603 -3.927 -12.292 87 HD11 LEU 15 1HD1 LEU 15 8.970 -2.475 -11.112 88 HD12 LEU 15 2HD1 LEU 15 9.028 -3.949 -12.077 89 HD13 LEU 15 3HD1 LEU 15 8.256 -3.963 -10.491 90 HD21 LEU 15 1HD2 LEU 15 5.245 -2.065 -11.484 91 HD22 LEU 15 2HD2 LEU 15 6.669 -1.339 -10.738 92 HD23 LEU 15 3HD2 LEU 15 6.059 -2.885 -10.151 93 H LEU 16 H LEU 16 10.004 -0.980 -13.715 94 HA LEU 16 HA LEU 16 11.030 -1.327 -11.129 95 HB2 LEU 16 1HB LEU 16 13.132 -1.511 -12.093 96 HB3 LEU 16 2HB LEU 16 12.039 -2.036 -13.353 97 HG LEU 16 HG LEU 16 12.268 0.478 -14.162 98 HD11 LEU 16 1HD1 LEU 16 14.907 0.057 -12.771 99 HD12 LEU 16 2HD1 LEU 16 13.605 1.061 -12.135 100 HD13 LEU 16 3HD1 LEU 16 14.374 1.481 -13.670 101 HD21 LEU 16 1HD2 LEU 16 14.429 -1.598 -14.583 102 HD22 LEU 16 2HD2 LEU 16 14.121 -0.202 -15.617 103 HD23 LEU 16 3HD2 LEU 16 12.914 -1.479 -15.477 104 H ALA 17 H ALA 17 11.044 1.556 -13.179 105 HA ALA 17 HA ALA 17 12.482 3.164 -11.325 106 HB1 ALA 17 1HB ALA 17 11.854 5.034 -12.792 107 HB2 ALA 17 2HB ALA 17 10.738 3.976 -13.657 108 HB3 ALA 17 3HB ALA 17 12.473 3.664 -13.712 109 H ASP 18 H ASP 18 9.060 2.825 -12.148 110 HA ASP 18 HA ASP 18 8.141 4.945 -10.536 111 HB2 ASP 18 1HB ASP 18 6.915 3.685 -12.452 112 HB3 ASP 18 2HB ASP 18 6.443 2.546 -11.197 113 H VAL 19 H VAL 19 8.355 1.437 -9.950 114 HA VAL 19 HA VAL 19 7.280 1.565 -7.331 115 HB VAL 19 HB VAL 19 7.512 -0.558 -8.734 116 HG11 VAL 19 1HG1 VAL 19 9.551 -1.874 -8.481 117 HG12 VAL 19 2HG1 VAL 19 10.312 -0.552 -7.592 118 HG13 VAL 19 3HG1 VAL 19 9.894 -0.347 -9.295 119 HG21 VAL 19 1HG2 VAL 19 6.742 -0.591 -6.426 120 HG22 VAL 19 2HG2 VAL 19 8.408 -0.620 -5.848 121 HG23 VAL 19 3HG2 VAL 19 7.763 -1.995 -6.749 122 H GLU 20 H GLU 20 10.590 1.731 -8.624 123 HA GLU 20 HA GLU 20 12.013 1.781 -6.236 124 HB2 GLU 20 1HB GLU 20 13.029 1.779 -8.498 125 HB3 GLU 20 2HB GLU 20 12.532 3.452 -8.711 126 HG2 GLU 20 1HG GLU 20 13.982 4.127 -6.861 127 HG3 GLU 20 2HG GLU 20 14.463 2.446 -6.623 128 H GLU 21 H GLU 21 10.343 4.430 -7.914 129 HA GLU 21 HA GLU 21 10.984 6.404 -5.947 130 HB2 GLU 21 1HB GLU 21 8.820 6.356 -8.066 131 HB3 GLU 21 2HB GLU 21 9.240 7.763 -7.096 132 HG2 GLU 21 1HG GLU 21 11.522 7.700 -8.030 133 HG3 GLU 21 2HG GLU 21 11.049 6.335 -9.042 134 H ALA 22 H ALA 22 8.151 4.341 -6.520 135 HA ALA 22 HA ALA 22 6.456 5.467 -4.582 136 HB1 ALA 22 1HB ALA 22 5.181 3.379 -4.736 137 HB2 ALA 22 2HB ALA 22 6.520 2.619 -5.601 138 HB3 ALA 22 3HB ALA 22 5.646 3.965 -6.333 139 H MET 23 H MET 23 8.990 3.080 -4.377 140 HA MET 23 HA MET 23 8.446 2.074 -1.810 141 HB2 MET 23 1HB MET 23 10.957 2.195 -3.478 142 HB3 MET 23 2HB MET 23 10.955 1.482 -1.871 143 HG2 MET 23 1HG MET 23 9.147 0.588 -4.109 144 HG3 MET 23 2HG MET 23 10.706 -0.153 -3.743 145 HE1 MET 23 1HE MET 23 8.102 -2.819 -2.466 146 HE2 MET 23 2HE MET 23 9.471 -2.522 -3.538 147 HE3 MET 23 3HE MET 23 7.912 -1.767 -3.868 148 H ARG 24 H ARG 24 9.565 5.131 -2.780 149 HA ARG 24 HA ARG 24 11.040 5.813 -0.422 150 HB2 ARG 24 1HB ARG 24 11.463 7.081 -2.413 151 HB3 ARG 24 2HB ARG 24 9.759 7.470 -2.601 152 HG2 ARG 24 1HG ARG 24 9.931 8.760 -0.436 153 HG3 ARG 24 2HG ARG 24 11.678 8.536 -0.534 154 HD2 ARG 24 1HD ARG 24 11.774 9.741 -2.608 155 HD3 ARG 24 2HD ARG 24 10.014 9.807 -2.709 156 HE ARG 24 HE ARG 24 11.294 11.080 -0.407 157 HH11 ARG 24 1HH1 ARG 24 9.595 11.413 -3.456 158 HH12 ARG 24 2HH1 ARG 24 9.326 13.118 -3.249 159 HH21 ARG 24 1HH2 ARG 24 10.901 13.302 -0.127 160 HH22 ARG 24 2HH2 ARG 24 10.062 14.186 -1.363 161 H ASP 25 H ASP 25 7.678 5.573 -1.174 162 HA ASP 25 HA ASP 25 6.991 7.342 1.100 163 HB2 ASP 25 1HB ASP 25 5.629 6.888 -1.553 164 HB3 ASP 25 2HB ASP 25 4.705 7.452 -0.166 165 H VAL 26 H VAL 26 6.750 4.289 -0.360 166 HA VAL 26 HA VAL 26 4.624 3.352 1.383 167 HB VAL 26 HB VAL 26 6.096 2.062 -0.934 168 HG11 VAL 26 1HG1 VAL 26 5.211 0.385 0.557 169 HG12 VAL 26 2HG1 VAL 26 4.280 0.435 -0.937 170 HG13 VAL 26 3HG1 VAL 26 3.632 1.165 0.532 171 HG21 VAL 26 1HG2 VAL 26 4.028 2.517 -2.196 172 HG22 VAL 26 2HG2 VAL 26 4.778 4.005 -1.616 173 HG23 VAL 26 3HG2 VAL 26 3.361 3.354 -0.791 174 H VAL 27 H VAL 27 7.345 4.093 2.321 175 HA VAL 27 HA VAL 27 7.808 1.746 3.975 176 HB VAL 27 HB VAL 27 9.391 1.724 1.881 177 HG11 VAL 27 1HG1 VAL 27 10.811 3.795 3.564 178 HG12 VAL 27 2HG1 VAL 27 10.027 4.095 2.013 179 HG13 VAL 27 3HG1 VAL 27 11.430 3.030 2.098 180 HG21 VAL 27 1HG2 VAL 27 9.677 0.224 3.773 181 HG22 VAL 27 2HG2 VAL 27 10.516 1.489 4.673 182 HG23 VAL 27 3HG2 VAL 27 11.243 0.812 3.216 183 H ASP 28 H ASP 28 9.392 2.395 5.820 184 HA ASP 28 HA ASP 28 9.019 5.252 6.418 185 HB2 ASP 28 1HB ASP 28 8.162 3.814 8.173 186 HB3 ASP 28 2HB ASP 28 9.690 2.937 8.250 187 HA PRO 29 HA PRO 29 13.494 5.328 5.687 188 HB2 PRO 29 2HB PRO 29 13.595 7.680 4.416 189 HB3 PRO 29 1HB PRO 29 12.995 6.235 3.598 190 HG2 PRO 29 2HG PRO 29 11.472 8.536 4.733 191 HG3 PRO 29 1HG PRO 29 11.140 7.574 3.280 192 HD2 PRO 29 2HD PRO 29 9.934 7.243 5.801 193 HD3 PRO 29 1HD PRO 29 9.874 6.095 4.451 194 H GLU 30 H GLU 30 11.356 7.033 7.630 195 HA GLU 30 HA GLU 30 13.010 9.163 8.537 196 HB2 GLU 30 1HB GLU 30 10.521 9.094 8.769 197 HB3 GLU 30 2HB GLU 30 10.704 7.841 9.991 198 HG2 GLU 30 1HG GLU 30 10.340 10.051 10.980 199 HG3 GLU 30 2HG GLU 30 11.904 9.376 11.434 200 H LEU 31 H LEU 31 12.055 6.117 10.129 201 HA LEU 31 HA LEU 31 14.524 6.248 11.732 202 HB2 LEU 31 1HB LEU 31 12.052 4.556 12.150 203 HB3 LEU 31 2HB LEU 31 13.441 4.618 13.218 204 HG LEU 31 HG LEU 31 11.536 6.904 12.665 205 HD11 LEU 31 1HD1 LEU 31 10.790 6.595 14.948 206 HD12 LEU 31 2HD1 LEU 31 11.905 5.244 15.160 207 HD13 LEU 31 3HD1 LEU 31 10.558 5.108 14.027 208 HD21 LEU 31 1HD2 LEU 31 13.797 7.720 13.087 209 HD22 LEU 31 2HD2 LEU 31 13.889 6.748 14.557 210 HD23 LEU 31 3HD2 LEU 31 12.737 8.080 14.450 211 H GLY 32 H GLY 32 12.961 4.596 9.180 212 HA2 GLY 32 1HA GLY 32 14.181 3.310 7.617 213 HA3 GLY 32 2HA GLY 32 15.333 2.898 8.877 214 H ILE 33 H ILE 33 11.788 2.588 8.564 215 HA ILE 33 HA ILE 33 12.086 -0.281 9.240 216 HB ILE 33 HB ILE 33 9.682 1.507 9.618 217 HG12 ILE 33 1HG1 ILE 33 9.954 0.781 12.037 218 HG13 ILE 33 2HG1 ILE 33 11.516 0.116 11.579 219 HG21 ILE 33 1HG2 ILE 33 8.543 -0.443 10.587 220 HG22 ILE 33 2HG2 ILE 33 9.905 -1.455 10.108 221 HG23 ILE 33 3HG2 ILE 33 8.919 -0.664 8.878 222 HD11 ILE 33 1HD1 ILE 33 10.705 3.001 11.341 223 HD12 ILE 33 2HD1 ILE 33 12.284 2.324 10.946 224 HD13 ILE 33 3HD1 ILE 33 11.711 2.310 12.615 225 H ASN 34 H ASN 34 11.110 -1.787 7.996 226 HA ASN 34 HA ASN 34 9.912 -0.886 5.465 227 HB2 ASN 34 1HB ASN 34 10.922 -2.877 4.370 228 HB3 ASN 34 2HB ASN 34 12.125 -1.749 4.974 229 HD21 ASN 34 1HD2 ASN 34 13.506 -3.976 7.309 230 HD22 ASN 34 2HD2 ASN 34 13.333 -2.318 6.843 231 H VAL 35 H VAL 35 7.862 -1.381 5.403 232 HA VAL 35 HA VAL 35 6.527 -2.798 7.375 233 HB VAL 35 HB VAL 35 4.538 -2.688 5.917 234 HG11 VAL 35 1HG1 VAL 35 4.455 -0.240 5.706 235 HG12 VAL 35 2HG1 VAL 35 6.204 -0.159 5.921 236 HG13 VAL 35 3HG1 VAL 35 5.179 -0.729 7.238 237 HG21 VAL 35 1HG2 VAL 35 4.709 -1.641 3.688 238 HG22 VAL 35 2HG2 VAL 35 5.569 -3.179 3.763 239 HG23 VAL 35 3HG2 VAL 35 6.468 -1.663 3.821 240 H VAL 36 H VAL 36 7.899 -3.951 4.387 241 HA VAL 36 HA VAL 36 6.482 -6.318 4.035 242 HB VAL 36 HB VAL 36 8.450 -7.156 2.789 243 HG11 VAL 36 1HG1 VAL 36 7.797 -4.261 2.211 244 HG12 VAL 36 2HG1 VAL 36 6.843 -5.653 1.700 245 HG13 VAL 36 3HG1 VAL 36 8.473 -5.422 1.068 246 HG21 VAL 36 1HG2 VAL 36 10.217 -6.274 4.239 247 HG22 VAL 36 2HG2 VAL 36 9.804 -4.628 3.756 248 HG23 VAL 36 3HG2 VAL 36 10.454 -5.759 2.568 249 H ASP 37 H ASP 37 9.040 -5.543 6.289 250 HA ASP 37 HA ASP 37 9.825 -8.195 6.904 251 HB2 ASP 37 1HB ASP 37 11.201 -6.173 7.390 252 HB3 ASP 37 2HB ASP 37 10.061 -5.735 8.660 253 H LEU 38 H LEU 38 7.085 -6.326 7.817 254 HA LEU 38 HA LEU 38 6.508 -7.719 10.258 255 HB2 LEU 38 1HB LEU 38 4.838 -5.974 8.445 256 HB3 LEU 38 2HB LEU 38 4.153 -6.768 9.849 257 HG LEU 38 HG LEU 38 4.679 -4.459 10.375 258 HD11 LEU 38 1HD1 LEU 38 6.587 -6.369 11.723 259 HD12 LEU 38 2HD1 LEU 38 4.906 -6.077 12.168 260 HD13 LEU 38 3HD1 LEU 38 6.097 -4.789 12.341 261 HD21 LEU 38 1HD2 LEU 38 6.978 -3.616 10.365 262 HD22 LEU 38 2HD2 LEU 38 6.450 -4.068 8.745 263 HD23 LEU 38 3HD2 LEU 38 7.534 -5.130 9.645 264 H GLY 39 H GLY 39 6.249 -8.452 6.957 265 HA2 GLY 39 1HA GLY 39 5.532 -10.306 5.830 266 HA3 GLY 39 2HA GLY 39 5.474 -11.116 7.386 267 H LEU 40 H LEU 40 3.527 -8.287 7.020 268 HA LEU 40 HA LEU 40 1.115 -9.945 6.807 269 HB2 LEU 40 1HB LEU 40 1.188 -8.284 8.623 270 HB3 LEU 40 2HB LEU 40 1.408 -7.001 7.445 271 HG LEU 40 HG LEU 40 -0.827 -7.500 6.500 272 HD11 LEU 40 1HD1 LEU 40 -2.368 -8.971 7.687 273 HD12 LEU 40 2HD1 LEU 40 -1.080 -9.440 8.798 274 HD13 LEU 40 3HD1 LEU 40 -0.970 -9.863 7.089 275 HD21 LEU 40 1HD2 LEU 40 -0.607 -5.759 8.178 276 HD22 LEU 40 2HD2 LEU 40 -0.811 -6.945 9.467 277 HD23 LEU 40 3HD2 LEU 40 -2.143 -6.603 8.363 278 H VAL 41 H VAL 41 3.134 -7.915 4.979 279 HA VAL 41 HA VAL 41 1.359 -6.678 3.210 280 HB VAL 41 HB VAL 41 4.196 -7.565 2.617 281 HG11 VAL 41 1HG1 VAL 41 4.225 -5.698 1.024 282 HG12 VAL 41 2HG1 VAL 41 2.533 -5.357 1.389 283 HG13 VAL 41 3HG1 VAL 41 2.978 -6.875 0.611 284 HG21 VAL 41 1HG2 VAL 41 4.105 -6.270 4.680 285 HG22 VAL 41 2HG2 VAL 41 3.185 -5.002 3.868 286 HG23 VAL 41 3HG2 VAL 41 4.855 -5.323 3.395 287 H TYR 42 H TYR 42 1.949 -9.961 3.566 288 HA TYR 42 HA TYR 42 1.761 -10.812 0.845 289 HB2 TYR 42 2HB TYR 42 1.317 -12.278 3.461 290 HB3 TYR 42 1HB TYR 42 1.219 -13.057 1.885 291 HD1 TYR 42 1HD TYR 42 3.467 -11.664 4.416 292 HD2 TYR 42 2HD TYR 42 3.238 -13.354 0.512 293 HE1 TYR 42 1HE TYR 42 5.897 -12.045 4.439 294 HE2 TYR 42 2HE TYR 42 5.665 -13.739 0.528 295 HH TYR 42 HH TYR 42 7.543 -13.520 3.343 296 H GLY 43 H GLY 43 -0.398 -9.392 2.937 297 HA2 GLY 43 1HA GLY 43 -2.817 -10.643 1.985 298 HA3 GLY 43 2HA GLY 43 -2.696 -9.217 3.007 299 H LEU 44 H LEU 44 -0.762 -9.063 0.190 300 HA LEU 44 HA LEU 44 -2.665 -7.299 -1.117 301 HB2 LEU 44 1HB LEU 44 -0.877 -6.778 -2.687 302 HB3 LEU 44 2HB LEU 44 -0.339 -6.574 -1.035 303 HG LEU 44 HG LEU 44 0.658 -9.004 -1.386 304 HD11 LEU 44 1HD1 LEU 44 1.469 -9.372 -3.660 305 HD12 LEU 44 2HD1 LEU 44 0.573 -7.958 -4.218 306 HD13 LEU 44 3HD1 LEU 44 -0.293 -9.367 -3.611 307 HD21 LEU 44 1HD2 LEU 44 1.919 -6.526 -2.569 308 HD22 LEU 44 2HD2 LEU 44 2.772 -7.989 -2.069 309 HD23 LEU 44 3HD2 LEU 44 1.949 -6.995 -0.867 310 H ASP 45 H ASP 45 -3.900 -7.864 -2.793 311 HA ASP 45 HA ASP 45 -3.345 -10.112 -4.488 312 HB2 ASP 45 1HB ASP 45 -4.213 -11.292 -2.506 313 HB3 ASP 45 2HB ASP 45 -5.654 -10.282 -2.523 314 H VAL 46 H VAL 46 -3.933 -9.326 -6.400 315 HA VAL 46 HA VAL 46 -5.985 -7.248 -6.514 316 HB VAL 46 HB VAL 46 -3.925 -6.643 -7.590 317 HG11 VAL 46 1HG1 VAL 46 -2.986 -7.881 -9.481 318 HG12 VAL 46 2HG1 VAL 46 -4.220 -9.127 -9.280 319 HG13 VAL 46 3HG1 VAL 46 -3.019 -8.860 -8.014 320 HG21 VAL 46 1HG2 VAL 46 -4.701 -6.133 -9.864 321 HG22 VAL 46 2HG2 VAL 46 -5.960 -5.841 -8.666 322 HG23 VAL 46 3HG2 VAL 46 -6.021 -7.288 -9.673 323 H GLN 47 H GLN 47 -7.975 -7.779 -6.973 324 HA GLN 47 HA GLN 47 -8.513 -10.146 -8.649 325 HB2 GLN 47 1HB GLN 47 -10.260 -8.851 -6.530 326 HB3 GLN 47 2HB GLN 47 -10.710 -10.240 -7.514 327 HG2 GLN 47 1HG GLN 47 -8.925 -11.557 -6.522 328 HG3 GLN 47 2HG GLN 47 -8.396 -10.163 -5.580 329 HE21 GLN 47 1HE2 GLN 47 -10.243 -11.606 -3.001 330 HE22 GLN 47 2HE2 GLN 47 -8.677 -11.278 -3.660 331 H ASP 48 H ASP 48 -9.530 -9.817 -10.538 332 HA ASP 48 HA ASP 48 -10.321 -7.056 -11.160 333 HB2 ASP 48 1HB ASP 48 -9.828 -7.473 -13.421 334 HB3 ASP 48 2HB ASP 48 -8.551 -8.314 -12.550 335 H GLY 49 H GLY 49 -12.165 -6.724 -12.527 336 HA2 GLY 49 1HA GLY 49 -14.058 -8.858 -12.971 337 HA3 GLY 49 2HA GLY 49 -14.571 -7.684 -11.760 338 H ASP 50 H ASP 50 -16.273 -7.600 -13.635 339 HA ASP 50 HA ASP 50 -15.568 -6.063 -15.943 340 HB2 ASP 50 1HB ASP 50 -17.532 -7.511 -15.977 341 HB3 ASP 50 2HB ASP 50 -18.264 -6.595 -14.663 342 H GLU 51 H GLU 51 -16.769 -5.370 -12.742 343 HA GLU 51 HA GLU 51 -17.362 -2.620 -13.149 344 HB2 GLU 51 1HB GLU 51 -18.307 -4.041 -11.324 345 HB3 GLU 51 2HB GLU 51 -16.723 -4.068 -10.564 346 HG2 GLU 51 1HG GLU 51 -16.814 -1.714 -10.138 347 HG3 GLU 51 2HG GLU 51 -18.287 -1.547 -11.093 348 H GLY 52 H GLY 52 -14.446 -4.367 -12.704 349 HA2 GLY 52 1HA GLY 52 -12.637 -2.618 -13.505 350 HA3 GLY 52 2HA GLY 52 -12.926 -2.011 -11.882 351 H THR 53 H THR 53 -10.426 -2.725 -12.452 352 HA THR 53 HA THR 53 -10.024 -5.378 -11.235 353 HB THR 53 HB THR 53 -7.999 -3.598 -12.619 354 HG1 THR 53 1HG THR 53 -9.785 -4.516 -13.938 355 HG21 THR 53 1HG2 THR 53 -7.863 -6.509 -11.790 356 HG22 THR 53 2HG2 THR 53 -6.986 -5.175 -11.039 357 HG23 THR 53 3HG2 THR 53 -6.623 -5.645 -12.699 358 H VAL 54 H VAL 54 -9.782 -5.287 -9.081 359 HA VAL 54 HA VAL 54 -8.686 -2.815 -7.890 360 HB VAL 54 HB VAL 54 -10.601 -4.791 -6.624 361 HG11 VAL 54 1HG1 VAL 54 -9.173 -3.702 -4.974 362 HG12 VAL 54 2HG1 VAL 54 -10.826 -3.103 -4.847 363 HG13 VAL 54 3HG1 VAL 54 -9.592 -2.117 -5.630 364 HG21 VAL 54 1HG2 VAL 54 -11.121 -2.035 -7.747 365 HG22 VAL 54 2HG2 VAL 54 -12.285 -3.001 -6.841 366 HG23 VAL 54 3HG2 VAL 54 -11.703 -3.562 -8.409 367 H ALA 55 H ALA 55 -6.945 -2.945 -6.609 368 HA ALA 55 HA ALA 55 -5.770 -5.591 -6.094 369 HB1 ALA 55 1HB ALA 55 -3.702 -4.372 -5.627 370 HB2 ALA 55 2HB ALA 55 -4.548 -2.837 -5.830 371 HB3 ALA 55 3HB ALA 55 -4.353 -3.925 -7.205 372 H LEU 56 H LEU 56 -6.534 -6.429 -4.221 373 HA LEU 56 HA LEU 56 -7.215 -4.826 -1.933 374 HB2 LEU 56 1HB LEU 56 -6.756 -7.816 -2.014 375 HB3 LEU 56 2HB LEU 56 -7.666 -6.918 -0.814 376 HG LEU 56 HG LEU 56 -8.466 -7.345 -3.700 377 HD11 LEU 56 1HD1 LEU 56 -8.698 -9.354 -2.356 378 HD12 LEU 56 2HD1 LEU 56 -10.284 -8.685 -2.738 379 HD13 LEU 56 3HD1 LEU 56 -9.595 -8.458 -1.130 380 HD21 LEU 56 1HD2 LEU 56 -9.217 -5.165 -2.911 381 HD22 LEU 56 2HD2 LEU 56 -9.933 -5.910 -1.482 382 HD23 LEU 56 3HD2 LEU 56 -10.578 -6.271 -3.085 383 H ILE 57 H ILE 57 -6.000 -4.495 -0.074 384 HA ILE 57 HA ILE 57 -3.409 -5.817 0.218 385 HB ILE 57 HB ILE 57 -3.705 -2.797 0.284 386 HG12 ILE 57 1HG1 ILE 57 -2.178 -4.569 -1.652 387 HG13 ILE 57 2HG1 ILE 57 -3.645 -3.667 -2.022 388 HG21 ILE 57 1HG2 ILE 57 -1.270 -2.777 0.678 389 HG22 ILE 57 2HG2 ILE 57 -1.281 -4.538 0.774 390 HG23 ILE 57 3HG2 ILE 57 -2.146 -3.584 1.979 391 HD11 ILE 57 1HD1 ILE 57 -0.978 -2.487 -1.280 392 HD12 ILE 57 2HD1 ILE 57 -2.444 -1.573 -1.637 393 HD13 ILE 57 3HD1 ILE 57 -1.685 -2.550 -2.894 394 H ASP 58 H ASP 58 -3.562 -6.698 2.180 395 HA ASP 58 HA ASP 58 -5.104 -5.418 4.296 396 HB2 ASP 58 1HB ASP 58 -3.571 -8.033 4.196 397 HB3 ASP 58 2HB ASP 58 -4.451 -7.466 5.615 398 H MET 59 H MET 59 -4.277 -4.238 5.954 399 HA MET 59 HA MET 59 -1.378 -4.217 6.373 400 HB2 MET 59 1HB MET 59 -3.011 -1.782 5.636 401 HB3 MET 59 2HB MET 59 -1.404 -1.690 6.338 402 HG2 MET 59 1HG MET 59 -0.530 -2.962 4.402 403 HG3 MET 59 2HG MET 59 -2.144 -2.927 3.695 404 HE1 MET 59 1HE MET 59 0.974 -0.784 4.781 405 HE2 MET 59 2HE MET 59 -0.321 -0.055 5.730 406 HE3 MET 59 3HE MET 59 0.428 0.853 4.414 407 H THR 60 H THR 60 -0.741 -2.741 8.115 408 HA THR 60 HA THR 60 -2.632 -2.238 10.274 409 HB THR 60 HB THR 60 -0.980 -3.306 11.898 410 HG1 THR 60 1HG THR 60 0.519 -4.724 11.090 411 HG21 THR 60 1HG2 THR 60 -1.821 -5.581 11.618 412 HG22 THR 60 2HG2 THR 60 -2.393 -5.168 10.002 413 HG23 THR 60 3HG2 THR 60 -3.099 -4.386 11.414 414 H LEU 61 H LEU 61 -1.453 -0.990 12.048 415 HA LEU 61 HA LEU 61 1.084 0.209 11.115 416 HB2 LEU 61 1HB LEU 61 -0.882 1.328 13.141 417 HB3 LEU 61 2HB LEU 61 0.671 2.037 12.756 418 HG LEU 61 HG LEU 61 -0.882 3.361 11.613 419 HD11 LEU 61 1HD1 LEU 61 -0.458 3.012 9.238 420 HD12 LEU 61 2HD1 LEU 61 0.090 1.367 9.570 421 HD13 LEU 61 3HD1 LEU 61 1.002 2.742 10.192 422 HD21 LEU 61 1HD2 LEU 61 -2.695 2.508 10.215 423 HD22 LEU 61 2HD2 LEU 61 -2.837 1.937 11.878 424 HD23 LEU 61 3HD2 LEU 61 -2.237 0.854 10.621 425 H THR 62 H THR 62 2.825 0.179 12.601 426 HA THR 62 HA THR 62 3.031 -2.133 14.169 427 HB THR 62 HB THR 62 5.124 -0.973 15.083 428 HG1 THR 62 1HG THR 62 5.255 1.101 14.720 429 HG21 THR 62 1HG2 THR 62 5.197 -2.486 13.144 430 HG22 THR 62 2HG2 THR 62 6.324 -1.145 12.946 431 HG23 THR 62 3HG2 THR 62 4.792 -1.143 12.075 432 H SER 63 H SER 63 2.657 1.254 15.131 433 HA SER 63 HA SER 63 2.508 0.793 17.911 434 HB2 SER 63 1HB SER 63 3.105 2.984 17.229 435 HB3 SER 63 2HB SER 63 1.733 3.100 16.130 436 HG SER 63 HG SER 63 1.555 2.969 18.970 437 H ALA 64 H ALA 64 0.145 0.942 15.382 438 HA ALA 64 HA ALA 64 -2.102 0.651 15.255 439 HB1 ALA 64 1HB ALA 64 -1.545 -1.539 16.253 440 HB2 ALA 64 2HB ALA 64 -3.139 -0.965 16.742 441 HB3 ALA 64 3HB ALA 64 -1.781 -0.847 17.861 442 H ALA 65 H ALA 65 -0.731 2.689 17.315 443 HA ALA 65 HA ALA 65 -3.315 3.754 18.252 444 HB1 ALA 65 1HB ALA 65 -0.594 4.216 19.488 445 HB2 ALA 65 2HB ALA 65 -1.816 3.106 20.109 446 HB3 ALA 65 3HB ALA 65 -2.135 4.840 20.079 447 H CYS 66 H CYS 66 -0.168 4.445 16.849 448 HA CYS 66 HA CYS 66 -0.714 7.196 16.289 449 HB2 CYS 66 2HB CYS 66 1.366 5.355 15.077 450 HB3 CYS 66 1HB CYS 66 1.365 7.115 15.000 451 HG CYS 66 HG CYS 66 1.638 5.329 17.915 452 HA PRO 67 HA PRO 67 -3.295 6.024 12.837 453 HB2 PRO 67 2HB PRO 67 -4.508 8.378 12.460 454 HB3 PRO 67 1HB PRO 67 -4.811 7.409 13.906 455 HG2 PRO 67 2HG PRO 67 -3.094 9.834 13.577 456 HG3 PRO 67 1HG PRO 67 -4.142 9.375 14.931 457 HD2 PRO 67 2HD PRO 67 -1.378 9.001 14.826 458 HD3 PRO 67 1HD PRO 67 -2.487 8.165 15.930 459 H LEU 68 H LEU 68 -1.170 5.781 11.602 460 HA LEU 68 HA LEU 68 -0.637 7.925 9.696 461 HB2 LEU 68 1HB LEU 68 0.518 5.150 10.028 462 HB3 LEU 68 2HB LEU 68 0.933 6.189 8.680 463 HG LEU 68 HG LEU 68 2.684 6.323 10.307 464 HD11 LEU 68 1HD1 LEU 68 2.155 8.394 9.150 465 HD12 LEU 68 2HD1 LEU 68 2.721 8.722 10.787 466 HD13 LEU 68 3HD1 LEU 68 1.001 8.823 10.411 467 HD21 LEU 68 1HD2 LEU 68 1.468 5.580 12.278 468 HD22 LEU 68 2HD2 LEU 68 0.570 7.096 12.320 469 HD23 LEU 68 3HD2 LEU 68 2.311 7.093 12.605 470 H THR 69 H THR 69 -3.119 6.017 9.997 471 HA THR 69 HA THR 69 -3.434 4.383 7.822 472 HB THR 69 HB THR 69 -5.014 4.296 9.597 473 HG1 THR 69 1HG THR 69 -5.907 4.773 7.042 474 HG21 THR 69 1HG2 THR 69 -6.024 7.052 8.893 475 HG22 THR 69 2HG2 THR 69 -4.903 6.723 10.214 476 HG23 THR 69 3HG2 THR 69 -6.525 6.032 10.240 477 H ASP 70 H ASP 70 -4.601 7.773 7.974 478 HA ASP 70 HA ASP 70 -5.544 7.887 5.341 479 HB2 ASP 70 1HB ASP 70 -6.220 9.532 7.008 480 HB3 ASP 70 2HB ASP 70 -4.562 10.096 7.171 481 H VAL 71 H VAL 71 -2.384 8.436 6.725 482 HA VAL 71 HA VAL 71 -1.221 9.824 4.561 483 HB VAL 71 HB VAL 71 0.186 8.094 6.616 484 HG11 VAL 71 1HG1 VAL 71 2.102 9.601 6.211 485 HG12 VAL 71 2HG1 VAL 71 1.191 10.385 4.918 486 HG13 VAL 71 3HG1 VAL 71 1.643 8.687 4.775 487 HG21 VAL 71 1HG2 VAL 71 -1.273 9.737 7.708 488 HG22 VAL 71 2HG2 VAL 71 -0.523 11.030 6.771 489 HG23 VAL 71 3HG2 VAL 71 0.430 10.131 7.952 490 H ILE 72 H ILE 72 -1.019 6.379 5.532 491 HA ILE 72 HA ILE 72 0.607 5.672 3.306 492 HB ILE 72 HB ILE 72 0.424 3.400 3.998 493 HG12 ILE 72 1HG1 ILE 72 -1.169 2.959 6.067 494 HG13 ILE 72 2HG1 ILE 72 -2.083 4.294 5.377 495 HG21 ILE 72 1HG2 ILE 72 0.432 5.194 6.422 496 HG22 ILE 72 2HG2 ILE 72 1.815 4.799 5.399 497 HG23 ILE 72 3HG2 ILE 72 1.045 3.541 6.367 498 HD11 ILE 72 1HD1 ILE 72 -2.931 2.123 4.651 499 HD12 ILE 72 2HD1 ILE 72 -1.362 1.740 3.947 500 HD13 ILE 72 3HD1 ILE 72 -2.324 3.062 3.290 501 H GLU 73 H GLU 73 -2.867 5.601 3.940 502 HA GLU 73 HA GLU 73 -3.608 4.128 1.651 503 HB2 GLU 73 1HB GLU 73 -5.096 6.129 3.349 504 HB3 GLU 73 2HB GLU 73 -5.846 5.364 1.952 505 HG2 GLU 73 1HG GLU 73 -5.454 3.167 2.934 506 HG3 GLU 73 2HG GLU 73 -4.701 3.924 4.338 507 H ASP 74 H ASP 74 -3.256 7.616 2.191 508 HA ASP 74 HA ASP 74 -4.125 8.367 -0.396 509 HB2 ASP 74 1HB ASP 74 -4.037 9.898 1.580 510 HB3 ASP 74 2HB ASP 74 -2.282 9.920 1.436 511 H GLN 75 H GLN 75 -0.882 7.792 0.962 512 HA GLN 75 HA GLN 75 0.629 8.486 -1.303 513 HB2 GLN 75 1HB GLN 75 1.209 6.379 0.799 514 HB3 GLN 75 2HB GLN 75 2.386 6.993 -0.356 515 HG2 GLN 75 1HG GLN 75 2.286 9.177 0.614 516 HG3 GLN 75 2HG GLN 75 0.960 8.703 1.671 517 HE21 GLN 75 1HE2 GLN 75 4.798 7.930 2.661 518 HE22 GLN 75 2HE2 GLN 75 4.360 8.683 1.169 519 H SER 76 H SER 76 -0.547 5.292 -0.274 520 HA SER 76 HA SER 76 0.427 3.838 -2.455 521 HB2 SER 76 1HB SER 76 -0.355 2.810 -0.338 522 HB3 SER 76 2HB SER 76 -2.013 3.243 -0.749 523 HG SER 76 HG SER 76 -1.051 1.019 -1.294 524 H ARG 77 H ARG 77 -2.866 5.094 -1.873 525 HA ARG 77 HA ARG 77 -4.035 4.304 -4.264 526 HB2 ARG 77 1HB ARG 77 -5.357 5.145 -2.434 527 HB3 ARG 77 2HB ARG 77 -4.578 6.715 -2.527 528 HG2 ARG 77 1HG ARG 77 -5.608 7.096 -4.721 529 HG3 ARG 77 2HG ARG 77 -6.401 5.519 -4.612 530 HD2 ARG 77 1HD ARG 77 -7.897 7.376 -3.972 531 HD3 ARG 77 2HD ARG 77 -7.633 6.235 -2.653 532 HE ARG 77 HE ARG 77 -6.075 8.733 -2.803 533 HH11 ARG 77 1HH1 ARG 77 -8.383 6.685 -1.138 534 HH12 ARG 77 2HH1 ARG 77 -8.290 7.577 0.349 535 HH21 ARG 77 1HH2 ARG 77 -5.936 9.911 -0.847 536 HH22 ARG 77 2HH2 ARG 77 -6.892 9.415 0.516 537 H SER 78 H SER 78 -2.422 7.387 -3.522 538 HA SER 78 HA SER 78 -2.972 8.728 -5.877 539 HB2 SER 78 1HB SER 78 -1.973 9.782 -3.871 540 HB3 SER 78 2HB SER 78 -0.454 8.951 -4.200 541 HG SER 78 HG SER 78 -0.585 10.084 -6.326 542 H ALA 79 H ALA 79 -0.105 6.721 -5.126 543 HA ALA 79 HA ALA 79 1.029 7.172 -7.716 544 HB1 ALA 79 1HB ALA 79 2.714 5.532 -7.035 545 HB2 ALA 79 2HB ALA 79 1.741 5.111 -5.624 546 HB3 ALA 79 3HB ALA 79 2.436 6.727 -5.768 547 H LEU 80 H LEU 80 -0.545 4.339 -6.180 548 HA LEU 80 HA LEU 80 -0.062 2.574 -8.309 549 HB2 LEU 80 1HB LEU 80 -2.211 2.510 -6.188 550 HB3 LEU 80 2HB LEU 80 -1.906 1.191 -7.306 551 HG LEU 80 HG LEU 80 0.041 2.249 -5.242 552 HD11 LEU 80 1HD1 LEU 80 -1.496 -0.349 -5.355 553 HD12 LEU 80 2HD1 LEU 80 -1.792 0.991 -4.246 554 HD13 LEU 80 3HD1 LEU 80 -0.283 0.086 -4.149 555 HD21 LEU 80 1HD2 LEU 80 1.449 0.341 -5.892 556 HD22 LEU 80 2HD2 LEU 80 1.219 1.474 -7.221 557 HD23 LEU 80 3HD2 LEU 80 0.321 -0.044 -7.193 558 H VAL 81 H VAL 81 -2.803 4.699 -7.647 559 HA VAL 81 HA VAL 81 -4.261 3.833 -9.975 560 HB VAL 81 HB VAL 81 -4.671 6.268 -8.214 561 HG11 VAL 81 1HG1 VAL 81 -6.945 6.326 -9.180 562 HG12 VAL 81 2HG1 VAL 81 -6.495 5.028 -10.286 563 HG13 VAL 81 3HG1 VAL 81 -5.698 6.598 -10.399 564 HG21 VAL 81 1HG2 VAL 81 -4.893 4.135 -7.004 565 HG22 VAL 81 2HG2 VAL 81 -6.081 3.589 -8.189 566 HG23 VAL 81 3HG2 VAL 81 -6.443 4.967 -7.149 567 H GLY 82 H GLY 82 -1.747 6.142 -9.301 568 HA2 GLY 82 1HA GLY 82 -2.495 7.967 -11.441 569 HA3 GLY 82 2HA GLY 82 -1.083 8.086 -10.399 570 H SER 83 H SER 83 -0.204 5.386 -10.906 571 HA SER 83 HA SER 83 1.092 5.856 -13.479 572 HB2 SER 83 1HB SER 83 1.742 3.813 -11.339 573 HB3 SER 83 2HB SER 83 2.766 4.287 -12.697 574 HG SER 83 HG SER 83 3.314 5.315 -10.688 575 H GLY 84 H GLY 84 -1.586 4.266 -12.420 576 HA2 GLY 84 1HA GLY 84 -3.022 2.876 -13.559 577 HA3 GLY 84 2HA GLY 84 -1.886 2.893 -14.898 578 H LEU 85 H LEU 85 -0.928 1.845 -11.695 579 HA LEU 85 HA LEU 85 -0.305 -0.792 -12.702 580 HB2 LEU 85 1HB LEU 85 0.129 0.630 -10.099 581 HB3 LEU 85 2HB LEU 85 0.242 -1.119 -10.136 582 HG LEU 85 HG LEU 85 2.054 -1.020 -11.758 583 HD11 LEU 85 1HD1 LEU 85 1.376 0.938 -13.021 584 HD12 LEU 85 2HD1 LEU 85 3.039 1.107 -12.461 585 HD13 LEU 85 3HD1 LEU 85 1.739 1.974 -11.644 586 HD21 LEU 85 1HD2 LEU 85 2.658 -0.907 -9.404 587 HD22 LEU 85 2HD2 LEU 85 2.520 0.851 -9.433 588 HD23 LEU 85 3HD2 LEU 85 3.778 0.049 -10.375 589 H VAL 86 H VAL 86 -3.023 0.686 -11.476 590 HA VAL 86 HA VAL 86 -4.502 -1.761 -11.562 591 HB VAL 86 HB VAL 86 -3.592 -1.649 -9.195 592 HG11 VAL 86 1HG1 VAL 86 -4.998 -0.202 -7.633 593 HG12 VAL 86 2HG1 VAL 86 -5.275 0.779 -9.075 594 HG13 VAL 86 3HG1 VAL 86 -3.639 0.513 -8.494 595 HG21 VAL 86 1HG2 VAL 86 -6.479 -1.975 -9.802 596 HG22 VAL 86 2HG2 VAL 86 -5.863 -2.214 -8.170 597 HG23 VAL 86 3HG2 VAL 86 -5.254 -3.200 -9.495 598 H ASP 87 H ASP 87 -6.823 -1.330 -11.459 599 HA ASP 87 HA ASP 87 -7.569 1.264 -12.425 600 HB2 ASP 87 1HB ASP 87 -9.314 -1.050 -11.521 601 HB3 ASP 87 2HB ASP 87 -9.886 0.384 -12.360 602 H ASP 88 H ASP 88 -7.101 -0.129 -9.337 603 HA ASP 88 HA ASP 88 -7.897 2.010 -7.763 604 HB2 ASP 88 1HB ASP 88 -10.177 1.705 -8.574 605 HB3 ASP 88 2HB ASP 88 -10.133 -0.004 -8.155 606 H ILE 89 H ILE 89 -7.775 1.536 -5.496 607 HA ILE 89 HA ILE 89 -6.619 -1.135 -4.947 608 HB ILE 89 HB ILE 89 -5.098 -0.210 -3.365 609 HG12 ILE 89 1HG1 ILE 89 -6.305 2.536 -3.822 610 HG13 ILE 89 2HG1 ILE 89 -6.700 1.509 -2.448 611 HG21 ILE 89 1HG2 ILE 89 -5.092 1.602 -5.783 612 HG22 ILE 89 2HG2 ILE 89 -4.375 -0.007 -5.690 613 HG23 ILE 89 3HG2 ILE 89 -3.728 1.307 -4.705 614 HD11 ILE 89 1HD1 ILE 89 -4.375 1.573 -1.724 615 HD12 ILE 89 2HD1 ILE 89 -5.064 3.191 -1.852 616 HD13 ILE 89 3HD1 ILE 89 -3.973 2.596 -3.104 617 H ARG 90 H ARG 90 -7.060 -2.057 -2.910 618 HA ARG 90 HA ARG 90 -9.066 -0.672 -1.256 619 HB2 ARG 90 1HB ARG 90 -9.999 -2.550 -2.795 620 HB3 ARG 90 2HB ARG 90 -9.163 -3.656 -1.714 621 HG2 ARG 90 1HG ARG 90 -11.393 -3.552 -0.956 622 HG3 ARG 90 2HG ARG 90 -10.454 -2.583 0.182 623 HD2 ARG 90 1HD ARG 90 -12.475 -1.391 -0.342 624 HD3 ARG 90 2HD ARG 90 -11.125 -0.546 -1.103 625 HE ARG 90 HE ARG 90 -13.043 -2.293 -2.511 626 HH11 ARG 90 1HH1 ARG 90 -10.776 0.397 -2.557 627 HH12 ARG 90 2HH1 ARG 90 -11.098 0.787 -4.218 628 HH21 ARG 90 1HH2 ARG 90 -13.448 -1.749 -4.689 629 HH22 ARG 90 2HH2 ARG 90 -12.593 -0.416 -5.412 630 H ILE 91 H ILE 91 -7.919 -0.238 0.520 631 HA ILE 91 HA ILE 91 -5.975 -2.195 1.511 632 HB ILE 91 HB ILE 91 -6.409 0.700 2.306 633 HG12 ILE 91 1HG1 ILE 91 -4.210 -0.622 0.682 634 HG13 ILE 91 2HG1 ILE 91 -5.469 0.433 0.048 635 HG21 ILE 91 1HG2 ILE 91 -4.309 0.475 3.578 636 HG22 ILE 91 2HG2 ILE 91 -4.268 -1.246 3.197 637 HG23 ILE 91 3HG2 ILE 91 -5.568 -0.595 4.196 638 HD11 ILE 91 1HD1 ILE 91 -3.369 1.612 0.259 639 HD12 ILE 91 2HD1 ILE 91 -3.302 1.226 1.978 640 HD13 ILE 91 3HD1 ILE 91 -4.569 2.287 1.361 641 H ASN 92 H ASN 92 -6.088 -3.046 3.563 642 HA ASN 92 HA ASN 92 -8.616 -2.610 5.025 643 HB2 ASN 92 1HB ASN 92 -8.551 -4.846 3.988 644 HB3 ASN 92 2HB ASN 92 -7.017 -5.177 4.790 645 HD21 ASN 92 1HD2 ASN 92 -9.015 -6.773 7.191 646 HD22 ASN 92 2HD2 ASN 92 -7.917 -6.970 5.866 647 H TRP 93 H TRP 93 -8.510 -2.434 7.227 648 HA TRP 93 HA TRP 93 -5.813 -2.281 8.407 649 HB2 TRP 93 2HB TRP 93 -8.371 -0.825 9.124 650 HB3 TRP 93 1HB TRP 93 -6.919 -0.795 10.123 651 HD1 TRP 93 1HD TRP 93 -8.533 1.253 7.599 652 HE1 TRP 93 1HE TRP 93 -6.841 2.819 6.443 653 HE3 TRP 93 3HE TRP 93 -4.205 -0.997 9.111 654 HZ2 TRP 93 2HZ TRP 93 -4.038 3.048 6.214 655 HZ3 TRP 93 3HZ TRP 93 -2.060 -0.049 8.376 656 HH2 TRP 93 2HH TRP 93 -1.981 1.929 6.960 657 H VAL 94 H VAL 94 -5.414 -4.176 9.410 658 HA VAL 94 HA VAL 94 -7.675 -5.401 10.864 659 HB VAL 94 HB VAL 94 -6.270 -7.443 11.036 660 HG11 VAL 94 1HG1 VAL 94 -6.477 -8.079 8.668 661 HG12 VAL 94 2HG1 VAL 94 -6.696 -6.382 8.238 662 HG13 VAL 94 3HG1 VAL 94 -7.895 -7.198 9.242 663 HG21 VAL 94 1HG2 VAL 94 -4.259 -7.647 9.624 664 HG22 VAL 94 2HG2 VAL 94 -4.045 -6.447 10.900 665 HG23 VAL 94 3HG2 VAL 94 -4.358 -5.925 9.245 666 H TRP 95 H TRP 95 -7.834 -5.186 12.944 667 HA TRP 95 HA TRP 95 -5.482 -4.387 14.524 668 HB2 TRP 95 2HB TRP 95 -8.389 -4.156 15.340 669 HB3 TRP 95 1HB TRP 95 -6.999 -3.345 16.056 670 HD1 TRP 95 1HD TRP 95 -5.732 -1.548 14.250 671 HE1 TRP 95 1HE TRP 95 -6.874 0.127 12.664 672 HE3 TRP 95 3HE TRP 95 -10.364 -3.688 14.020 673 HZ2 TRP 95 2HZ TRP 95 -9.401 0.489 11.469 674 HZ3 TRP 95 3HZ TRP 95 -12.087 -2.620 12.625 675 HH2 TRP 95 2HH TRP 95 -11.616 -0.575 11.376 676 H ASN 96 H ASN 96 -8.083 -6.676 14.212 677 HA ASN 96 HA ASN 96 -6.940 -8.642 15.871 678 HB2 ASN 96 1HB ASN 96 -7.584 -7.154 17.703 679 HB3 ASN 96 2HB ASN 96 -9.232 -7.073 17.094 680 HD21 ASN 96 1HD2 ASN 96 -8.240 -10.797 18.436 681 HD22 ASN 96 2HD2 ASN 96 -7.266 -10.002 17.248 682 HA PRO 97 HA PRO 97 -11.379 -9.963 14.360 683 HB2 PRO 97 2HB PRO 97 -12.651 -8.253 12.651 684 HB3 PRO 97 1HB PRO 97 -12.898 -8.226 14.402 685 HG2 PRO 97 2HG PRO 97 -11.112 -6.498 12.721 686 HG3 PRO 97 1HG PRO 97 -12.221 -6.022 14.023 687 HD2 PRO 97 2HD PRO 97 -9.579 -6.272 14.450 688 HD3 PRO 97 1HD PRO 97 -10.766 -6.726 15.691 689 HA PRO 98 HA PRO 98 -9.706 -11.365 10.447 690 HB2 PRO 98 2HB PRO 98 -12.415 -12.262 9.691 691 HB3 PRO 98 1HB PRO 98 -10.960 -13.219 9.980 692 HG2 PRO 98 2HG PRO 98 -13.029 -13.242 11.699 693 HG3 PRO 98 1HG PRO 98 -11.350 -13.373 12.254 694 HD2 PRO 98 2HD PRO 98 -13.165 -10.982 12.255 695 HD3 PRO 98 1HD PRO 98 -12.048 -11.549 13.517 696 H TRP 99 H TRP 99 -10.324 -11.302 8.009 697 HA TRP 99 HA TRP 99 -10.720 -8.530 7.374 698 HB2 TRP 99 2HB TRP 99 -10.462 -10.850 5.442 699 HB3 TRP 99 1HB TRP 99 -10.154 -9.150 5.107 700 HD1 TRP 99 1HD TRP 99 -8.492 -9.104 8.126 701 HE1 TRP 99 1HE TRP 99 -6.034 -9.852 8.021 702 HE3 TRP 99 3HE TRP 99 -8.578 -11.558 3.637 703 HZ2 TRP 99 2HZ TRP 99 -4.353 -11.271 6.274 704 HZ3 TRP 99 3HZ TRP 99 -6.495 -12.585 2.819 705 HH2 TRP 99 2HH TRP 99 -4.423 -12.446 4.111 706 H GLY 100 H GLY 100 -12.601 -7.570 6.947 707 HA2 GLY 100 1HA GLY 100 -14.696 -9.022 5.497 708 HA3 GLY 100 2HA GLY 100 -15.108 -8.422 7.096 709 HA PRO 101 HA PRO 101 -16.374 -4.835 4.645 710 HB2 PRO 101 2HB PRO 101 -17.494 -3.442 6.704 711 HB3 PRO 101 1HB PRO 101 -18.307 -4.798 5.914 712 HG2 PRO 101 2HG PRO 101 -16.749 -4.761 8.478 713 HG3 PRO 101 1HG PRO 101 -18.310 -5.530 8.130 714 HD2 PRO 101 2HD PRO 101 -15.992 -6.928 8.168 715 HD3 PRO 101 1HD PRO 101 -17.324 -7.339 7.066 716 H ASP 102 H ASP 102 -14.346 -4.997 7.403 717 HA ASP 102 HA ASP 102 -13.430 -2.378 7.684 718 HB2 ASP 102 1HB ASP 102 -11.242 -3.715 8.428 719 HB3 ASP 102 2HB ASP 102 -12.702 -3.704 9.414 720 H LYS 103 H LYS 103 -12.955 -4.553 5.099 721 HA LYS 103 HA LYS 103 -10.409 -3.563 4.223 722 HB2 LYS 103 1HB LYS 103 -12.481 -5.135 2.667 723 HB3 LYS 103 2HB LYS 103 -10.795 -4.910 2.218 724 HG2 LYS 103 1HG LYS 103 -10.115 -6.148 4.245 725 HG3 LYS 103 2HG LYS 103 -11.815 -6.409 4.633 726 HD2 LYS 103 1HD LYS 103 -11.031 -8.394 3.578 727 HD3 LYS 103 2HD LYS 103 -12.047 -7.559 2.403 728 HE2 LYS 103 1HE LYS 103 -10.101 -8.347 1.257 729 HE3 LYS 103 2HE LYS 103 -9.959 -6.596 1.404 730 HZ1 LYS 103 1HZ LYS 103 -7.870 -7.677 1.913 731 HZ2 LYS 103 2HZ LYS 103 -8.592 -8.606 3.117 732 HZ3 LYS 103 3HZ LYS 103 -8.471 -6.935 3.308 733 H ILE 104 H ILE 104 -13.490 -2.254 4.161 734 HA ILE 104 HA ILE 104 -13.288 -0.890 1.623 735 HB ILE 104 HB ILE 104 -15.197 -0.433 3.934 736 HG12 ILE 104 1HG1 ILE 104 -15.597 -1.930 1.320 737 HG13 ILE 104 2HG1 ILE 104 -15.402 -2.677 2.902 738 HG21 ILE 104 1HG2 ILE 104 -14.996 1.568 2.559 739 HG22 ILE 104 2HG2 ILE 104 -16.567 0.809 2.301 740 HG23 ILE 104 3HG2 ILE 104 -15.289 0.620 1.100 741 HD11 ILE 104 1HD1 ILE 104 -17.730 -2.637 2.214 742 HD12 ILE 104 2HD1 ILE 104 -17.674 -0.879 2.072 743 HD13 ILE 104 3HD1 ILE 104 -17.480 -1.645 3.649 744 H THR 105 H THR 105 -11.951 0.779 1.330 745 HA THR 105 HA THR 105 -10.779 2.234 3.501 746 HB THR 105 HB THR 105 -9.745 3.611 1.662 747 HG1 THR 105 1HG THR 105 -10.309 3.275 -0.390 748 HG21 THR 105 1HG2 THR 105 -8.334 1.800 0.783 749 HG22 THR 105 2HG2 THR 105 -9.491 0.610 1.379 750 HG23 THR 105 3HG2 THR 105 -8.603 1.625 2.516 751 H GLU 106 H GLU 106 -10.712 4.703 3.347 752 HA GLU 106 HA GLU 106 -13.270 5.762 3.731 753 HB2 GLU 106 1HB GLU 106 -11.997 8.041 3.461 754 HB3 GLU 106 2HB GLU 106 -11.717 7.014 4.853 755 HG2 GLU 106 1HG GLU 106 -9.622 7.838 4.135 756 HG3 GLU 106 2HG GLU 106 -9.679 6.133 3.710 757 H ASP 107 H ASP 107 -11.476 5.278 0.834 758 HA ASP 107 HA ASP 107 -12.681 7.048 -0.937 759 HB2 ASP 107 1HB ASP 107 -11.906 4.151 -1.399 760 HB3 ASP 107 2HB ASP 107 -12.338 5.271 -2.682 761 H GLY 108 H GLY 108 -13.778 3.773 -0.052 762 HA2 GLY 108 1HA GLY 108 -16.296 4.122 -1.442 763 HA3 GLY 108 2HA GLY 108 -15.801 2.719 -0.507 764 H ARG 109 H ARG 109 -15.142 4.176 1.854 765 HA ARG 109 HA ARG 109 -17.593 3.922 3.192 766 HB2 ARG 109 1HB ARG 109 -15.637 3.504 4.426 767 HB3 ARG 109 2HB ARG 109 -14.903 5.022 3.943 768 HG2 ARG 109 1HG ARG 109 -16.574 6.224 5.332 769 HG3 ARG 109 2HG ARG 109 -17.172 4.659 5.893 770 HD2 ARG 109 1HD ARG 109 -15.157 4.165 7.005 771 HD3 ARG 109 2HD ARG 109 -14.272 5.420 6.138 772 HE ARG 109 HE ARG 109 -16.340 6.597 7.646 773 HH11 ARG 109 1HH1 ARG 109 -13.227 5.056 8.051 774 HH12 ARG 109 2HH1 ARG 109 -12.851 5.902 9.518 775 HH21 ARG 109 1HH2 ARG 109 -15.854 7.736 9.543 776 HH22 ARG 109 2HH2 ARG 109 -14.355 7.438 10.375 777 H GLU 110 H GLU 110 -15.822 6.835 2.177 778 HA GLU 110 HA GLU 110 -17.393 8.528 3.794 779 HB2 GLU 110 1HB GLU 110 -15.334 9.109 1.701 780 HB3 GLU 110 2HB GLU 110 -16.187 10.392 2.558 781 HG2 GLU 110 1HG GLU 110 -14.420 8.270 3.776 782 HG3 GLU 110 2HG GLU 110 -14.061 9.990 3.618 783 H GLN 111 H GLN 111 -18.256 7.124 0.991 784 HA GLN 111 HA GLN 111 -19.598 9.417 -0.182 785 HB2 GLN 111 1HB GLN 111 -20.049 6.608 -1.103 786 HB3 GLN 111 2HB GLN 111 -19.878 8.086 -2.049 787 HG2 GLN 111 1HG GLN 111 -17.457 8.118 -1.402 788 HG3 GLN 111 2HG GLN 111 -17.699 6.542 -0.660 789 HE21 GLN 111 1HE2 GLN 111 -17.761 4.736 -3.657 790 HE22 GLN 111 2HE2 GLN 111 -18.108 4.740 -1.964 791 H LEU 112 H LEU 112 -20.269 7.125 2.185 792 HA LEU 112 HA LEU 112 -23.022 6.591 1.583 793 HB2 LEU 112 1HB LEU 112 -21.520 5.017 2.772 794 HB3 LEU 112 2HB LEU 112 -21.445 6.150 4.111 795 HG LEU 112 HG LEU 112 -23.871 5.850 4.494 796 HD11 LEU 112 1HD1 LEU 112 -25.075 4.039 3.359 797 HD12 LEU 112 2HD1 LEU 112 -23.687 3.783 2.301 798 HD13 LEU 112 3HD1 LEU 112 -24.578 5.304 2.237 799 HD21 LEU 112 1HD2 LEU 112 -22.283 3.281 4.452 800 HD22 LEU 112 2HD2 LEU 112 -23.753 3.564 5.386 801 HD23 LEU 112 3HD2 LEU 112 -22.291 4.484 5.743 802 H ARG 113 H ARG 113 -21.779 7.829 4.662 803 HA ARG 113 HA ARG 113 -24.255 9.008 5.339 804 HB2 ARG 113 1HB ARG 113 -21.498 9.251 6.569 805 HB3 ARG 113 2HB ARG 113 -22.937 9.984 7.269 806 HG2 ARG 113 1HG ARG 113 -22.529 7.029 6.790 807 HG3 ARG 113 2HG ARG 113 -22.386 7.853 8.345 808 HD2 ARG 113 1HD ARG 113 -24.732 8.503 8.236 809 HD3 ARG 113 2HD ARG 113 -24.887 7.744 6.653 810 HE ARG 113 HE ARG 113 -24.091 5.677 8.149 811 HH11 ARG 113 1HH1 ARG 113 -26.509 8.130 8.785 812 HH12 ARG 113 2HH1 ARG 113 -27.562 7.042 9.633 813 HH21 ARG 113 1HH2 ARG 113 -25.467 4.255 9.283 814 HH22 ARG 113 2HH2 ARG 113 -26.966 4.843 9.932 815 H ALA 114 H ALA 114 -21.403 10.140 3.755 816 HA ALA 114 HA ALA 114 -21.807 12.941 4.164 817 HB1 ALA 114 1HB ALA 114 -20.301 11.595 1.922 818 HB2 ALA 114 2HB ALA 114 -19.634 11.991 3.505 819 HB3 ALA 114 3HB ALA 114 -20.157 13.281 2.422 820 H LEU 115 H LEU 115 -23.478 10.694 2.258 821 HA LEU 115 HA LEU 115 -24.309 12.469 0.163 822 HB2 LEU 115 1HB LEU 115 -24.287 9.962 0.002 823 HB3 LEU 115 2HB LEU 115 -25.639 9.924 1.118 824 HG LEU 115 HG LEU 115 -27.010 11.178 -0.510 825 HD11 LEU 115 1HD1 LEU 115 -26.211 11.482 -2.802 826 HD12 LEU 115 2HD1 LEU 115 -24.618 10.885 -2.332 827 HD13 LEU 115 3HD1 LEU 115 -25.234 12.391 -1.651 828 HD21 LEU 115 1HD2 LEU 115 -27.296 9.357 -2.122 829 HD22 LEU 115 2HD2 LEU 115 -27.097 8.738 -0.483 830 HD23 LEU 115 3HD2 LEU 115 -25.752 8.665 -1.622 831 H GLY 116 H GLY 116 -25.507 11.517 3.318 832 HA2 GLY 116 1HA GLY 116 -27.932 13.120 3.040 833 HA3 GLY 116 2HA GLY 116 -27.481 12.137 4.428 834 H PHE 117 H PHE 117 -24.982 13.066 5.002 835 HA PHE 117 HA PHE 117 -25.493 15.705 6.080 836 HB2 PHE 117 2HB PHE 117 -24.351 13.986 7.445 837 HB3 PHE 117 1HB PHE 117 -23.041 13.925 6.273 838 HD1 PHE 117 1HD PHE 117 -21.197 15.365 6.481 839 HD2 PHE 117 2HD PHE 117 -24.776 16.211 8.639 840 HE1 PHE 117 1HE PHE 117 -20.038 17.162 7.698 841 HE2 PHE 117 2HE PHE 117 -23.617 18.007 9.855 842 HZ PHE 117 HZ PHE 117 -21.248 18.485 9.385 843 H THR 118 H THR 118 -25.556 17.064 4.316 844 HA THR 118 HA THR 118 -23.658 16.907 2.186 845 HB THR 118 HB THR 118 -24.795 19.092 1.468 846 HG1 THR 118 1HG THR 118 -26.026 19.975 2.938 847 HG21 THR 118 1HG2 THR 118 -26.863 17.926 0.781 848 HG22 THR 118 2HG2 THR 118 -26.487 16.619 1.905 849 HG23 THR 118 3HG2 THR 118 -25.430 16.926 0.527 850 H VAL 119 H VAL 119 -21.845 18.005 1.859 851 HA VAL 119 HA VAL 119 -21.229 20.378 3.442 852 HB VAL 119 HB VAL 119 -20.126 18.658 4.716 853 HG11 VAL 119 1HG1 VAL 119 -18.521 17.083 3.766 854 HG12 VAL 119 2HG1 VAL 119 -18.839 17.719 2.152 855 HG13 VAL 119 3HG1 VAL 119 -20.113 16.879 3.033 856 HG21 VAL 119 1HG2 VAL 119 -18.857 20.723 4.387 857 HG22 VAL 119 2HG2 VAL 119 -18.095 20.036 2.951 858 HG23 VAL 119 3HG2 VAL 119 -17.782 19.334 4.539
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