NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
620010 | 5jdx | 30066 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 0.253 14.583 3.272 2 H2 MET 1 2H MET 1 1.785 13.918 3.055 3 H3 MET 1 3H MET 1 0.449 12.905 3.216 4 HA MET 1 HA MET 1 -0.481 13.708 1.162 5 HB2 MET 1 2HB MET 1 0.774 15.205 -0.320 6 HB3 MET 1 1HB MET 1 0.507 15.989 1.231 7 HG2 MET 1 2HG MET 1 2.820 15.469 1.898 8 HG3 MET 1 1HG MET 1 3.087 14.672 0.347 9 HE1 MET 1 1HE MET 1 2.466 19.228 0.872 10 HE2 MET 1 2HE MET 1 2.608 18.092 2.213 11 HE3 MET 1 3HE MET 1 1.167 18.079 1.193 12 H LEU 2 H LEU 2 2.418 12.341 2.295 13 HA LEU 2 HA LEU 2 3.513 11.173 -0.046 14 HB2 LEU 2 2HB LEU 2 4.599 11.425 2.262 15 HB3 LEU 2 1HB LEU 2 3.606 10.082 2.800 16 HG LEU 2 HG LEU 2 4.712 8.662 0.986 17 HD11 LEU 2 1HD1 LEU 2 5.494 10.440 -0.479 18 HD12 LEU 2 2HD1 LEU 2 6.849 9.440 0.043 19 HD13 LEU 2 3HD1 LEU 2 6.598 11.029 0.770 20 HD21 LEU 2 1HD2 LEU 2 6.555 9.744 3.143 21 HD22 LEU 2 2HD2 LEU 2 6.755 8.226 2.263 22 HD23 LEU 2 3HD2 LEU 2 5.375 8.443 3.337 23 H GLU 3 H GLU 3 0.918 10.383 2.057 24 HA GLU 3 HA GLU 3 0.491 7.648 1.454 25 HB2 GLU 3 2HB GLU 3 -1.582 9.626 2.517 26 HB3 GLU 3 1HB GLU 3 -1.566 7.880 2.723 27 HG2 GLU 3 2HG GLU 3 -0.789 8.452 4.803 28 HG3 GLU 3 1HG GLU 3 0.758 8.415 3.970 29 H SER 4 H SER 4 -0.657 10.678 0.031 30 HA SER 4 HA SER 4 -2.523 9.363 -1.776 31 HB2 SER 4 2HB SER 4 -2.849 11.679 -2.690 32 HB3 SER 4 1HB SER 4 -3.109 11.589 -0.951 33 HG SER 4 HG SER 4 -1.034 12.795 -2.393 34 H LYS 5 H LYS 5 0.871 10.111 -1.734 35 HA LYS 5 HA LYS 5 1.290 10.264 -4.564 36 HB2 LYS 5 2HB LYS 5 3.293 9.618 -2.364 37 HB3 LYS 5 1HB LYS 5 3.714 9.973 -4.040 38 HG2 LYS 5 2HG LYS 5 2.421 11.871 -2.061 39 HG3 LYS 5 1HG LYS 5 4.088 11.930 -2.630 40 HD2 LYS 5 2HD LYS 5 1.635 12.309 -4.405 41 HD3 LYS 5 1HD LYS 5 2.590 13.622 -3.721 42 HE2 LYS 5 2HE LYS 5 3.625 11.528 -5.668 43 HE3 LYS 5 1HE LYS 5 3.193 13.189 -6.078 44 HZ1 LYS 5 1HZ LYS 5 4.936 13.987 -4.653 45 HZ2 LYS 5 2HZ LYS 5 5.583 12.876 -5.747 46 HZ3 LYS 5 3HZ LYS 5 5.308 12.420 -4.149 47 H LEU 6 H LEU 6 1.343 7.597 -2.209 48 HA LEU 6 HA LEU 6 2.212 5.591 -4.081 49 HB2 LEU 6 2HB LEU 6 1.586 3.931 -2.366 50 HB3 LEU 6 1HB LEU 6 2.571 5.221 -1.714 51 HG LEU 6 HG LEU 6 0.149 6.200 -1.021 52 HD11 LEU 6 1HD1 LEU 6 -1.367 4.455 -0.219 53 HD12 LEU 6 2HD1 LEU 6 -0.350 3.212 -0.953 54 HD13 LEU 6 3HD1 LEU 6 -1.176 4.394 -1.971 55 HD21 LEU 6 1HD2 LEU 6 0.483 5.331 1.230 56 HD22 LEU 6 2HD2 LEU 6 2.015 5.835 0.521 57 HD23 LEU 6 3HD2 LEU 6 1.617 4.117 0.621 58 H ILE 7 H ILE 7 -0.878 6.989 -3.192 59 HA ILE 7 HA ILE 7 -2.611 5.115 -4.437 60 HB ILE 7 HB ILE 7 -3.015 8.088 -3.885 61 HG12 ILE 7 2HG1 ILE 7 -2.742 6.757 -1.835 62 HG13 ILE 7 1HG1 ILE 7 -4.416 7.280 -1.972 63 HG21 ILE 7 1HG2 ILE 7 -5.460 7.707 -4.239 64 HG22 ILE 7 2HG2 ILE 7 -5.115 6.060 -4.777 65 HG23 ILE 7 3HG2 ILE 7 -4.528 7.431 -5.716 66 HD11 ILE 7 1HD1 ILE 7 -4.252 4.992 -1.194 67 HD12 ILE 7 2HD1 ILE 7 -3.368 4.534 -2.650 68 HD13 ILE 7 3HD1 ILE 7 -5.053 5.062 -2.763 69 H ASN 8 H ASN 8 -1.524 8.331 -5.588 70 HA ASN 8 HA ASN 8 -2.792 8.124 -8.109 71 HB2 ASN 8 2HB ASN 8 -1.925 10.243 -8.639 72 HB3 ASN 8 1HB ASN 8 -2.036 10.276 -6.890 73 HD21 ASN 8 1HD2 ASN 8 0.090 10.272 -9.638 74 HD22 ASN 8 2HD2 ASN 8 1.549 10.629 -8.774 75 H HIS 9 H HIS 9 0.280 7.027 -6.980 76 HA HIS 9 HA HIS 9 1.749 6.647 -9.302 77 HB2 HIS 9 2HB HIS 9 2.580 6.203 -6.988 78 HB3 HIS 9 1HB HIS 9 1.585 4.757 -6.916 79 HD1 HIS 9 HD1 HIS 9 4.960 5.711 -7.531 80 HD2 HIS 9 HD2 HIS 9 2.421 2.899 -9.207 81 HE1 HIS 9 HE1 HIS 9 6.449 4.059 -8.670 82 HE2 HIS 9 HE2 HIS 9 4.891 2.231 -9.427 83 H ILE 10 H ILE 10 -0.370 4.144 -7.744 84 HA ILE 10 HA ILE 10 -0.421 2.633 -10.233 85 HB ILE 10 HB ILE 10 -1.672 0.893 -9.046 86 HG12 ILE 10 2HG1 ILE 10 -1.450 1.329 -6.303 87 HG13 ILE 10 1HG1 ILE 10 -1.916 2.926 -6.867 88 HG21 ILE 10 1HG2 ILE 10 0.728 0.763 -9.155 89 HG22 ILE 10 2HG2 ILE 10 0.167 0.110 -7.614 90 HG23 ILE 10 3HG2 ILE 10 0.891 1.718 -7.678 91 HD11 ILE 10 1HD1 ILE 10 -3.831 1.702 -6.208 92 HD12 ILE 10 2HD1 ILE 10 -3.394 0.342 -7.241 93 HD13 ILE 10 3HD1 ILE 10 -3.870 1.885 -7.963 94 H ALA 11 H ALA 11 -2.619 4.776 -8.539 95 HA ALA 11 HA ALA 11 -5.039 4.348 -9.749 96 HB1 ALA 11 1HB ALA 11 -5.511 6.731 -9.458 97 HB2 ALA 11 2HB ALA 11 -3.788 7.064 -9.258 98 HB3 ALA 11 3HB ALA 11 -4.642 6.101 -8.053 99 H THR 12 H THR 12 -2.086 5.454 -11.258 100 HA THR 12 HA THR 12 -3.172 6.510 -13.668 101 HB THR 12 HB THR 12 -0.434 5.272 -13.249 102 HG1 THR 12 HG1 THR 12 -0.100 6.910 -11.981 103 HG21 THR 12 1HG2 THR 12 -1.388 7.347 -15.269 104 HG22 THR 12 2HG2 THR 12 -0.964 5.674 -15.640 105 HG23 THR 12 3HG2 THR 12 0.277 6.794 -15.073 106 H GLN 13 H GLN 13 -1.791 3.328 -12.826 107 HA GLN 13 HA GLN 13 -2.354 2.187 -15.458 108 HB2 GLN 13 2HB GLN 13 -1.281 0.132 -14.540 109 HB3 GLN 13 1HB GLN 13 -0.266 1.560 -14.355 110 HG2 GLN 13 2HG GLN 13 -0.972 1.729 -11.975 111 HG3 GLN 13 1HG GLN 13 -1.924 0.263 -12.171 112 HE21 GLN 13 1HE2 GLN 13 1.302 1.583 -11.915 113 HE22 GLN 13 2HE2 GLN 13 2.115 0.075 -11.669 114 H PHE 14 H PHE 14 -3.974 2.440 -12.468 115 HA PHE 14 HA PHE 14 -5.629 0.048 -12.881 116 HB2 PHE 14 2HB PHE 14 -4.728 1.595 -10.458 117 HB3 PHE 14 1HB PHE 14 -6.357 0.904 -10.376 118 HD1 PHE 14 HD1 PHE 14 -5.460 -0.405 -8.413 119 HD2 PHE 14 HD2 PHE 14 -3.898 -0.965 -12.364 120 HE1 PHE 14 HE1 PHE 14 -4.520 -2.559 -7.753 121 HE2 PHE 14 HE2 PHE 14 -2.958 -3.115 -11.684 122 HZ PHE 14 HZ PHE 14 -3.266 -3.924 -9.379 123 H LEU 15 H LEU 15 -5.829 3.569 -12.662 124 HA LEU 15 HA LEU 15 -8.773 3.425 -13.111 125 HB2 LEU 15 2HB LEU 15 -7.376 5.533 -11.423 126 HB3 LEU 15 1HB LEU 15 -9.105 5.295 -11.615 127 HG LEU 15 HG LEU 15 -7.190 3.472 -10.085 128 HD11 LEU 15 1HD1 LEU 15 -7.635 5.577 -8.949 129 HD12 LEU 15 2HD1 LEU 15 -8.384 4.232 -8.104 130 HD13 LEU 15 3HD1 LEU 15 -9.380 5.323 -9.072 131 HD21 LEU 15 1HD2 LEU 15 -10.221 3.199 -10.433 132 HD22 LEU 15 2HD2 LEU 15 -9.203 2.230 -9.362 133 HD23 LEU 15 3HD2 LEU 15 -8.986 2.126 -11.103 134 H ASP 16 H ASP 16 -6.194 4.048 -14.832 135 HA ASP 16 HA ASP 16 -5.763 5.262 -16.720 136 HB2 ASP 16 2HB ASP 16 -8.326 4.929 -17.024 137 HB3 ASP 16 1HB ASP 16 -8.519 6.549 -16.403 138 H GLY 17 H GLY 17 -5.263 6.327 -13.950 139 HA2 GLY 17 2HA GLY 17 -4.013 8.158 -13.241 140 HA3 GLY 17 1HA GLY 17 -4.482 9.057 -14.669 141 H GLU 18 H GLU 18 -7.232 7.729 -13.259 142 HA GLU 18 HA GLU 18 -7.980 10.317 -12.052 143 HB2 GLU 18 2HB GLU 18 -10.170 9.861 -12.632 144 HB3 GLU 18 1HB GLU 18 -9.370 8.866 -13.852 145 HG2 GLU 18 2HG GLU 18 -9.702 6.881 -12.355 146 HG3 GLU 18 1HG GLU 18 -10.635 7.904 -11.261 147 H LYS 19 H LYS 19 -8.686 10.441 -9.864 148 HA LYS 19 HA LYS 19 -8.246 8.029 -8.187 149 HB2 LYS 19 2HB LYS 19 -8.470 10.921 -7.304 150 HB3 LYS 19 1HB LYS 19 -8.162 9.531 -6.258 151 HG2 LYS 19 2HG LYS 19 -6.074 9.159 -7.870 152 HG3 LYS 19 1HG LYS 19 -6.309 10.876 -8.227 153 HD2 LYS 19 2HD LYS 19 -5.867 9.663 -5.474 154 HD3 LYS 19 1HD LYS 19 -4.657 10.524 -6.424 155 HE2 LYS 19 2HE LYS 19 -5.923 12.602 -6.228 156 HE3 LYS 19 1HE LYS 19 -7.242 11.759 -5.411 157 HZ1 LYS 19 1HZ LYS 19 -4.489 11.904 -4.341 158 HZ2 LYS 19 2HZ LYS 19 -5.886 11.353 -3.555 159 HZ3 LYS 19 3HZ LYS 19 -5.723 12.989 -3.941 160 H ASP 20 H ASP 20 -10.092 6.906 -8.024 161 HA ASP 20 HA ASP 20 -12.321 8.071 -6.654 162 HB2 ASP 20 2HB ASP 20 -12.810 8.708 -9.038 163 HB3 ASP 20 1HB ASP 20 -12.855 6.993 -9.461 164 H GLY 21 H GLY 21 -12.765 6.597 -5.170 165 HA2 GLY 21 2HA GLY 21 -13.418 4.538 -4.267 166 HA3 GLY 21 1HA GLY 21 -12.934 3.721 -5.747 167 H LEU 22 H LEU 22 -10.409 5.560 -5.376 168 HA LEU 22 HA LEU 22 -8.899 3.751 -3.594 169 HB2 LEU 22 2HB LEU 22 -8.563 3.229 -5.998 170 HB3 LEU 22 1HB LEU 22 -8.106 4.893 -6.289 171 HG LEU 22 HG LEU 22 -6.137 4.480 -4.659 172 HD11 LEU 22 1HD1 LEU 22 -6.845 1.573 -5.182 173 HD12 LEU 22 2HD1 LEU 22 -6.950 2.405 -3.629 174 HD13 LEU 22 3HD1 LEU 22 -5.379 2.163 -4.388 175 HD21 LEU 22 1HD2 LEU 22 -4.732 3.585 -6.426 176 HD22 LEU 22 2HD2 LEU 22 -5.893 4.720 -7.108 177 HD23 LEU 22 3HD2 LEU 22 -6.142 2.980 -7.299 178 H ASP 23 H ASP 23 -8.521 5.073 -1.923 179 HA ASP 23 HA ASP 23 -6.424 6.971 -2.270 180 HB2 ASP 23 2HB ASP 23 -8.834 8.251 -2.365 181 HB3 ASP 23 1HB ASP 23 -8.633 8.193 -0.618 182 H SER 24 H SER 24 -5.996 7.889 0.194 183 HA SER 24 HA SER 24 -4.831 5.602 1.320 184 HB2 SER 24 2HB SER 24 -5.176 8.335 2.630 185 HB3 SER 24 1HB SER 24 -3.875 7.167 2.906 186 HG SER 24 HG SER 24 -3.385 7.470 0.600 187 H GLN 25 H GLN 25 -7.556 7.601 2.483 188 HA GLN 25 HA GLN 25 -7.996 5.877 4.821 189 HB2 GLN 25 2HB GLN 25 -9.326 8.473 3.946 190 HB3 GLN 25 1HB GLN 25 -9.673 7.621 5.449 191 HG2 GLN 25 2HG GLN 25 -7.366 7.972 6.212 192 HG3 GLN 25 1HG GLN 25 -6.968 8.775 4.692 193 HE21 GLN 25 1HE2 GLN 25 -6.820 9.780 7.428 194 HE22 GLN 25 2HE2 GLN 25 -7.788 11.208 7.473 195 H THR 26 H THR 26 -9.005 6.023 1.642 196 HA THR 26 HA THR 26 -11.721 5.174 1.883 197 HB THR 26 HB THR 26 -9.861 4.796 -0.512 198 HG1 THR 26 HG1 THR 26 -10.712 6.885 -1.143 199 HG21 THR 26 1HG2 THR 26 -12.070 3.669 -0.668 200 HG22 THR 26 2HG2 THR 26 -11.928 5.000 -1.825 201 HG23 THR 26 3HG2 THR 26 -12.866 5.210 -0.341 202 HA PRO 27 HA PRO 27 -10.736 0.905 3.011 203 HB2 PRO 27 2HB PRO 27 -13.143 -0.287 2.507 204 HB3 PRO 27 1HB PRO 27 -12.896 0.804 3.895 205 HG2 PRO 27 2HG PRO 27 -14.092 1.447 1.204 206 HG3 PRO 27 1HG PRO 27 -14.703 1.866 2.817 207 HD2 PRO 27 2HD PRO 27 -13.337 3.654 1.352 208 HD3 PRO 27 1HD PRO 27 -13.141 3.589 3.114 209 H LEU 28 H LEU 28 -9.236 0.283 1.519 210 HA LEU 28 HA LEU 28 -9.656 -0.051 -1.263 211 HB2 LEU 28 2HB LEU 28 -7.505 -1.382 0.433 212 HB3 LEU 28 1HB LEU 28 -7.441 -1.081 -1.293 213 HG LEU 28 HG LEU 28 -7.320 1.016 0.914 214 HD11 LEU 28 1HD1 LEU 28 -5.233 -0.219 0.676 215 HD12 LEU 28 2HD1 LEU 28 -5.038 1.443 0.127 216 HD13 LEU 28 3HD1 LEU 28 -5.185 0.138 -1.055 217 HD21 LEU 28 1HD2 LEU 28 -7.305 1.465 -2.094 218 HD22 LEU 28 2HD2 LEU 28 -6.964 2.694 -0.874 219 HD23 LEU 28 3HD2 LEU 28 -8.563 1.963 -0.958 220 H PHE 29 H PHE 29 -10.122 -2.160 1.466 221 HA PHE 29 HA PHE 29 -10.377 -4.604 -0.013 222 HB2 PHE 29 2HB PHE 29 -10.358 -3.808 2.832 223 HB3 PHE 29 1HB PHE 29 -11.541 -5.071 2.513 224 HD1 PHE 29 HD1 PHE 29 -8.188 -4.471 0.956 225 HD2 PHE 29 HD2 PHE 29 -10.580 -7.050 3.395 226 HE1 PHE 29 HE1 PHE 29 -6.420 -6.149 0.938 227 HE2 PHE 29 HE2 PHE 29 -8.784 -8.727 3.367 228 HZ PHE 29 HZ PHE 29 -6.703 -8.277 2.135 229 H GLU 30 H GLU 30 -12.723 -2.451 1.630 230 HA GLU 30 HA GLU 30 -15.020 -4.022 1.103 231 HB2 GLU 30 2HB GLU 30 -14.841 -1.027 1.636 232 HB3 GLU 30 1HB GLU 30 -16.328 -1.973 1.702 233 HG2 GLU 30 2HG GLU 30 -13.911 -2.358 3.503 234 HG3 GLU 30 1HG GLU 30 -15.398 -1.523 3.947 235 H LEU 31 H LEU 31 -13.407 -1.544 -0.755 236 HA LEU 31 HA LEU 31 -15.480 -1.562 -2.854 237 HB2 LEU 31 2HB LEU 31 -12.973 0.139 -2.678 238 HB3 LEU 31 1HB LEU 31 -14.334 0.371 -3.765 239 HG LEU 31 HG LEU 31 -14.302 0.786 -0.755 240 HD11 LEU 31 1HD1 LEU 31 -14.741 2.762 -3.002 241 HD12 LEU 31 2HD1 LEU 31 -13.282 2.588 -2.027 242 HD13 LEU 31 3HD1 LEU 31 -14.785 3.116 -1.272 243 HD21 LEU 31 1HD2 LEU 31 -16.469 -0.219 -1.362 244 HD22 LEU 31 2HD2 LEU 31 -16.715 1.003 -2.613 245 HD23 LEU 31 3HD2 LEU 31 -16.674 1.473 -0.912 246 H ASN 32 H ASN 32 -12.375 -2.879 -2.118 247 HA ASN 32 HA ASN 32 -11.077 -4.445 -3.098 248 HB2 ASN 32 2HB ASN 32 -13.377 -5.540 -3.370 249 HB3 ASN 32 1HB ASN 32 -13.401 -4.931 -5.022 250 HD21 ASN 32 1HD2 ASN 32 -13.395 -6.910 -6.048 251 HD22 ASN 32 2HD2 ASN 32 -12.085 -8.034 -5.958 252 H ILE 33 H ILE 33 -10.820 -1.731 -4.023 253 HA ILE 33 HA ILE 33 -10.829 -1.562 -6.885 254 HB ILE 33 HB ILE 33 -9.547 0.285 -4.837 255 HG12 ILE 33 2HG1 ILE 33 -11.996 0.049 -4.519 256 HG13 ILE 33 1HG1 ILE 33 -11.589 1.664 -5.075 257 HG21 ILE 33 1HG2 ILE 33 -10.147 0.794 -7.781 258 HG22 ILE 33 2HG2 ILE 33 -8.547 0.683 -7.045 259 HG23 ILE 33 3HG2 ILE 33 -9.616 2.027 -6.636 260 HD11 ILE 33 1HD1 ILE 33 -13.587 0.861 -6.145 261 HD12 ILE 33 2HD1 ILE 33 -12.734 -0.554 -6.761 262 HD13 ILE 33 3HD1 ILE 33 -12.305 1.060 -7.339 263 H VAL 34 H VAL 34 -8.207 -1.666 -4.482 264 HA VAL 34 HA VAL 34 -6.184 -1.942 -6.560 265 HB VAL 34 HB VAL 34 -5.713 -0.572 -4.533 266 HG11 VAL 34 1HG1 VAL 34 -5.638 -3.190 -2.987 267 HG12 VAL 34 2HG1 VAL 34 -6.858 -1.928 -2.807 268 HG13 VAL 34 3HG1 VAL 34 -5.182 -1.604 -2.356 269 HG21 VAL 34 1HG2 VAL 34 -3.808 -2.913 -4.890 270 HG22 VAL 34 2HG2 VAL 34 -3.397 -1.369 -4.139 271 HG23 VAL 34 3HG2 VAL 34 -3.829 -1.431 -5.850 272 H ASP 35 H ASP 35 -5.291 -3.799 -7.203 273 HA ASP 35 HA ASP 35 -6.167 -6.361 -6.156 274 HB2 ASP 35 2HB ASP 35 -4.221 -5.674 -8.405 275 HB3 ASP 35 1HB ASP 35 -4.795 -7.295 -8.024 276 H SER 36 H SER 36 -4.540 -8.041 -5.709 277 HA SER 36 HA SER 36 -2.690 -7.250 -3.727 278 HB2 SER 36 2HB SER 36 -2.218 -9.554 -3.438 279 HB3 SER 36 1HB SER 36 -3.908 -9.516 -3.961 280 H ALA 37 H ALA 37 -2.458 -7.733 -7.156 281 HA ALA 37 HA ALA 37 0.267 -8.026 -7.634 282 HB1 ALA 37 1HB ALA 37 -0.228 -7.112 -9.877 283 HB2 ALA 37 2HB ALA 37 -1.794 -6.537 -9.295 284 HB3 ALA 37 3HB ALA 37 -1.458 -8.267 -9.360 285 H ALA 38 H ALA 38 -1.629 -5.022 -7.187 286 HA ALA 38 HA ALA 38 0.624 -3.253 -7.623 287 HB1 ALA 38 1HB ALA 38 -1.605 -2.502 -8.251 288 HB2 ALA 38 2HB ALA 38 -0.941 -1.437 -7.009 289 HB3 ALA 38 3HB ALA 38 -2.150 -2.653 -6.584 290 H ILE 39 H ILE 39 -0.664 -4.964 -4.909 291 HA ILE 39 HA ILE 39 0.179 -3.375 -2.751 292 HB ILE 39 HB ILE 39 0.078 -6.408 -3.004 293 HG12 ILE 39 2HG1 ILE 39 -2.102 -5.386 -3.288 294 HG13 ILE 39 1HG1 ILE 39 -2.061 -6.188 -1.727 295 HG21 ILE 39 1HG2 ILE 39 0.104 -6.545 -0.521 296 HG22 ILE 39 2HG2 ILE 39 0.451 -4.816 -0.446 297 HG23 ILE 39 3HG2 ILE 39 1.622 -5.917 -1.180 298 HD11 ILE 39 1HD1 ILE 39 -1.824 -3.220 -2.214 299 HD12 ILE 39 2HD1 ILE 39 -1.758 -4.013 -0.641 300 HD13 ILE 39 3HD1 ILE 39 -3.232 -4.085 -1.599 301 H PHE 40 H PHE 40 1.949 -5.687 -4.781 302 HA PHE 40 HA PHE 40 4.445 -5.711 -3.489 303 HB2 PHE 40 2HB PHE 40 3.801 -7.304 -5.263 304 HB3 PHE 40 1HB PHE 40 3.757 -6.007 -6.449 305 HD1 PHE 40 HD1 PHE 40 6.099 -7.780 -4.106 306 HD2 PHE 40 HD2 PHE 40 5.715 -5.528 -7.732 307 HE1 PHE 40 HE1 PHE 40 8.460 -8.215 -4.635 308 HE2 PHE 40 HE2 PHE 40 8.074 -5.971 -8.249 309 HZ PHE 40 HZ PHE 40 9.452 -7.315 -6.706 310 H ASP 41 H ASP 41 3.017 -3.352 -5.685 311 HA ASP 41 HA ASP 41 5.403 -1.781 -6.078 312 HB2 ASP 41 2HB ASP 41 3.568 -1.845 -7.763 313 HB3 ASP 41 1HB ASP 41 2.475 -1.096 -6.605 314 H LEU 42 H LEU 42 2.421 -1.430 -4.140 315 HA LEU 42 HA LEU 42 2.951 1.021 -2.870 316 HB2 LEU 42 2HB LEU 42 1.378 -1.348 -1.772 317 HB3 LEU 42 1HB LEU 42 1.282 0.300 -1.170 318 HG LEU 42 HG LEU 42 0.364 -0.657 -3.914 319 HD11 LEU 42 1HD1 LEU 42 -1.293 0.239 -1.535 320 HD12 LEU 42 2HD1 LEU 42 -1.132 -1.411 -2.143 321 HD13 LEU 42 3HD1 LEU 42 -1.909 -0.183 -3.137 322 HD21 LEU 42 1HD2 LEU 42 1.215 1.631 -4.086 323 HD22 LEU 42 2HD2 LEU 42 0.195 2.143 -2.740 324 HD23 LEU 42 3HD2 LEU 42 -0.539 1.613 -4.255 325 H VAL 43 H VAL 43 3.916 -2.240 -2.103 326 HA VAL 43 HA VAL 43 5.149 -2.010 0.381 327 HB VAL 43 HB VAL 43 5.759 -3.739 -2.039 328 HG11 VAL 43 1HG1 VAL 43 7.319 -5.111 -0.668 329 HG12 VAL 43 2HG1 VAL 43 7.213 -3.913 0.621 330 HG13 VAL 43 3HG1 VAL 43 7.932 -3.477 -0.926 331 HG21 VAL 43 1HG2 VAL 43 4.686 -4.494 0.680 332 HG22 VAL 43 2HG2 VAL 43 4.848 -5.545 -0.725 333 HG23 VAL 43 3HG2 VAL 43 3.702 -4.211 -0.755 334 H ASP 44 H ASP 44 6.604 -1.701 -2.890 335 HA ASP 44 HA ASP 44 9.227 -1.278 -2.025 336 HB2 ASP 44 2HB ASP 44 8.474 -1.805 -4.407 337 HB3 ASP 44 1HB ASP 44 8.088 -0.114 -4.600 338 H PHE 45 H PHE 45 6.584 0.919 -2.606 339 HA PHE 45 HA PHE 45 7.955 3.344 -2.496 340 HB2 PHE 45 2HB PHE 45 5.633 3.012 -3.366 341 HB3 PHE 45 1HB PHE 45 5.068 2.718 -1.729 342 HD1 PHE 45 HD1 PHE 45 6.172 5.297 -4.133 343 HD2 PHE 45 HD2 PHE 45 4.821 4.603 -0.123 344 HE1 PHE 45 HE1 PHE 45 5.728 7.702 -3.850 345 HE2 PHE 45 HE2 PHE 45 4.383 7.002 0.132 346 HZ PHE 45 HZ PHE 45 4.837 8.548 -1.725 347 H LEU 46 H LEU 46 6.152 1.565 0.046 348 HA LEU 46 HA LEU 46 6.613 3.390 2.174 349 HB2 LEU 46 2HB LEU 46 5.894 0.440 2.284 350 HB3 LEU 46 1HB LEU 46 5.817 1.534 3.657 351 HG LEU 46 HG LEU 46 4.085 1.638 1.155 352 HD11 LEU 46 1HD1 LEU 46 2.224 1.125 2.656 353 HD12 LEU 46 2HD1 LEU 46 3.336 0.993 4.020 354 HD13 LEU 46 3HD1 LEU 46 3.441 -0.151 2.679 355 HD21 LEU 46 1HD2 LEU 46 4.553 3.933 1.883 356 HD22 LEU 46 2HD2 LEU 46 4.066 3.540 3.534 357 HD23 LEU 46 3HD2 LEU 46 2.875 3.515 2.231 358 H ARG 47 H ARG 47 8.198 0.276 1.417 359 HA ARG 47 HA ARG 47 9.938 0.252 3.642 360 HB2 ARG 47 2HB ARG 47 11.178 -1.532 2.475 361 HB3 ARG 47 1HB ARG 47 9.446 -1.820 2.421 362 HG2 ARG 47 2HG ARG 47 9.304 -1.378 0.120 363 HG3 ARG 47 1HG ARG 47 10.821 -0.483 0.089 364 HD2 ARG 47 2HD ARG 47 10.685 -3.467 0.624 365 HD3 ARG 47 1HD ARG 47 10.855 -2.790 -1.000 366 HE ARG 47 HE ARG 47 12.854 -2.788 1.138 367 HH11 ARG 47 1HH1 ARG 47 12.034 -1.618 -2.105 368 HH12 ARG 47 2HH1 ARG 47 13.680 -1.240 -2.496 369 HH21 ARG 47 1HH2 ARG 47 15.011 -2.308 0.551 370 HH22 ARG 47 2HH2 ARG 47 15.345 -1.627 -1.009 371 H GLN 48 H GLN 48 10.210 1.697 0.448 372 HA GLN 48 HA GLN 48 13.015 2.203 0.454 373 HB2 GLN 48 2HB GLN 48 11.779 2.151 -1.632 374 HB3 GLN 48 1HB GLN 48 10.719 3.450 -1.104 375 HG2 GLN 48 2HG GLN 48 12.696 4.991 -1.133 376 HG3 GLN 48 1HG GLN 48 13.662 3.668 -1.780 377 HE21 GLN 48 1HE2 GLN 48 10.307 4.300 -2.669 378 HE22 GLN 48 2HE2 GLN 48 10.646 4.727 -4.303 379 H GLU 49 H GLU 49 10.163 4.251 1.135 380 HA GLU 49 HA GLU 49 11.588 6.605 1.816 381 HB2 GLU 49 2HB GLU 49 8.784 5.766 2.665 382 HB3 GLU 49 1HB GLU 49 9.440 7.399 2.783 383 HG2 GLU 49 2HG GLU 49 8.689 5.850 0.300 384 HG3 GLU 49 1HG GLU 49 8.045 7.390 0.858 385 H SER 50 H SER 50 10.257 3.971 3.775 386 HA SER 50 HA SER 50 11.154 5.097 6.290 387 HB2 SER 50 2HB SER 50 9.044 3.590 5.838 388 HB3 SER 50 1HB SER 50 10.177 2.243 5.994 389 HG SER 50 HG SER 50 9.013 3.661 7.901 390 H LYS 51 H LYS 51 12.791 3.476 3.858 391 HA LYS 51 HA LYS 51 14.891 2.711 3.613 392 HB2 LYS 51 2HB LYS 51 15.281 3.878 6.401 393 HB3 LYS 51 1HB LYS 51 16.601 3.389 5.344 394 HG2 LYS 51 2HG LYS 51 14.575 5.582 4.739 395 HG3 LYS 51 1HG LYS 51 16.230 5.839 5.305 396 HD2 LYS 51 2HD LYS 51 17.140 4.877 3.253 397 HD3 LYS 51 1HD LYS 51 15.527 4.412 2.706 398 HE2 LYS 51 2HE LYS 51 16.452 7.276 3.114 399 HE3 LYS 51 1HE LYS 51 16.386 6.441 1.560 400 HZ1 LYS 51 1HZ LYS 51 14.061 6.956 3.331 401 HZ2 LYS 51 2HZ LYS 51 14.017 6.170 1.836 402 HZ3 LYS 51 3HZ LYS 51 14.439 7.799 1.919 403 H VAL 52 H VAL 52 12.844 0.986 4.812 404 HA VAL 52 HA VAL 52 14.462 -1.035 6.260 405 HB VAL 52 HB VAL 52 12.186 -1.894 7.035 406 HG11 VAL 52 1HG1 VAL 52 11.923 -0.240 8.832 407 HG12 VAL 52 2HG1 VAL 52 12.915 0.908 7.929 408 HG13 VAL 52 3HG1 VAL 52 13.628 -0.590 8.534 409 HG21 VAL 52 1HG2 VAL 52 10.243 -0.355 6.956 410 HG22 VAL 52 2HG2 VAL 52 10.739 -0.855 5.336 411 HG23 VAL 52 3HG2 VAL 52 11.168 0.751 5.935 412 H SER 53 H SER 53 13.886 -3.263 5.815 413 HA SER 53 HA SER 53 12.823 -3.819 3.104 414 HB2 SER 53 2HB SER 53 14.516 -5.589 4.919 415 HB3 SER 53 1HB SER 53 13.999 -5.980 3.273 416 HG SER 53 HG SER 53 16.197 -4.968 3.740 417 H ILE 54 H ILE 54 11.171 -5.336 2.850 418 HA ILE 54 HA ILE 54 10.052 -6.696 5.220 419 HB ILE 54 HB ILE 54 8.510 -4.867 4.763 420 HG12 ILE 54 2HG1 ILE 54 7.381 -7.507 3.723 421 HG13 ILE 54 1HG1 ILE 54 7.418 -6.982 5.400 422 HG21 ILE 54 1HG2 ILE 54 8.357 -5.815 1.887 423 HG22 ILE 54 2HG2 ILE 54 9.182 -4.360 2.455 424 HG23 ILE 54 3HG2 ILE 54 7.428 -4.492 2.597 425 HD11 ILE 54 1HD1 ILE 54 5.205 -6.826 4.428 426 HD12 ILE 54 2HD1 ILE 54 5.801 -5.722 3.189 427 HD13 ILE 54 3HD1 ILE 54 5.803 -5.230 4.887 428 H GLY 55 H GLY 55 9.277 -8.820 4.785 429 HA2 GLY 55 2HA GLY 55 10.408 -10.124 2.450 430 HA3 GLY 55 1HA GLY 55 9.617 -10.898 3.809 431 H MET 56 H MET 56 9.268 -11.370 0.926 432 HA MET 56 HA MET 56 6.823 -10.413 -0.092 433 HB2 MET 56 2HB MET 56 8.281 -13.035 -0.571 434 HB3 MET 56 1HB MET 56 6.848 -12.564 -1.477 435 HG2 MET 56 2HG MET 56 9.509 -11.114 -1.456 436 HG3 MET 56 1HG MET 56 8.858 -12.097 -2.766 437 HE1 MET 56 1HE MET 56 5.686 -9.800 -3.741 438 HE2 MET 56 2HE MET 56 5.639 -10.940 -2.395 439 HE3 MET 56 3HE MET 56 6.395 -11.405 -3.921 440 H GLN 57 H GLN 57 7.533 -12.909 2.209 441 HA GLN 57 HA GLN 57 5.110 -14.286 2.442 442 HB2 GLN 57 2HB GLN 57 5.978 -14.883 4.730 443 HB3 GLN 57 1HB GLN 57 7.156 -15.123 3.441 444 HG2 GLN 57 2HG GLN 57 8.205 -12.921 4.046 445 HG3 GLN 57 1HG GLN 57 7.083 -12.797 5.397 446 HE21 GLN 57 1HE2 GLN 57 9.894 -14.432 4.150 447 HE22 GLN 57 2HE2 GLN 57 10.360 -15.194 5.629 448 H GLU 58 H GLU 58 6.089 -11.171 3.719 449 HA GLU 58 HA GLU 58 3.725 -10.873 5.447 450 HB2 GLU 58 2HB GLU 58 6.076 -8.978 5.014 451 HB3 GLU 58 1HB GLU 58 4.865 -8.862 6.291 452 HG2 GLU 58 2HG GLU 58 5.683 -10.915 7.319 453 HG3 GLU 58 1HG GLU 58 6.806 -11.174 5.983 454 H ILE 59 H ILE 59 5.001 -9.883 2.367 455 HA ILE 59 HA ILE 59 3.280 -7.673 1.804 456 HB ILE 59 HB ILE 59 4.754 -9.547 -0.098 457 HG12 ILE 59 2HG1 ILE 59 5.509 -6.768 0.917 458 HG13 ILE 59 1HG1 ILE 59 6.250 -8.277 1.431 459 HG21 ILE 59 1HG2 ILE 59 4.444 -7.747 -1.833 460 HG22 ILE 59 2HG2 ILE 59 3.352 -6.908 -0.723 461 HG23 ILE 59 3HG2 ILE 59 2.927 -8.505 -1.338 462 HD11 ILE 59 1HD1 ILE 59 6.364 -7.081 -1.329 463 HD12 ILE 59 2HD1 ILE 59 7.104 -8.612 -0.843 464 HD13 ILE 59 3HD1 ILE 59 7.655 -7.098 -0.128 465 H HIS 60 H HIS 60 1.217 -8.478 2.481 466 HA HIS 60 HA HIS 60 -0.204 -9.552 0.167 467 HB2 HIS 60 2HB HIS 60 -1.728 -10.891 1.755 468 HB3 HIS 60 1HB HIS 60 -0.128 -11.560 1.449 469 HD1 HIS 60 HD1 HIS 60 1.358 -11.957 3.435 470 HD2 HIS 60 HD2 HIS 60 -1.988 -9.677 4.338 471 HE1 HIS 60 HE1 HIS 60 1.372 -11.713 5.933 472 HE2 HIS 60 HE2 HIS 60 -0.801 -10.548 6.463 473 HA PRO 61 HA PRO 61 -2.711 -6.010 0.661 474 HB2 PRO 61 2HB PRO 61 -5.264 -6.894 -0.049 475 HB3 PRO 61 1HB PRO 61 -3.953 -6.616 -1.214 476 HG2 PRO 61 2HG PRO 61 -4.855 -9.192 0.029 477 HG3 PRO 61 1HG PRO 61 -4.420 -8.847 -1.662 478 HD2 PRO 61 2HD PRO 61 -2.692 -10.066 0.016 479 HD3 PRO 61 1HD PRO 61 -2.116 -8.931 -1.224 480 H ALA 62 H ALA 62 -3.690 -8.782 2.606 481 HA ALA 62 HA ALA 62 -5.708 -7.677 4.204 482 HB1 ALA 62 1HB ALA 62 -5.065 -10.066 4.275 483 HB2 ALA 62 2HB ALA 62 -5.119 -9.362 5.893 484 HB3 ALA 62 3HB ALA 62 -3.566 -9.637 5.098 485 H ASN 63 H ASN 63 -2.228 -7.241 4.373 486 HA ASN 63 HA ASN 63 -2.296 -5.668 6.839 487 HB2 ASN 63 2HB ASN 63 -0.048 -6.533 4.974 488 HB3 ASN 63 1HB ASN 63 0.210 -5.507 6.385 489 HD21 ASN 63 1HD2 ASN 63 1.592 -7.105 7.253 490 HD22 ASN 63 2HD2 ASN 63 0.967 -8.530 7.995 491 H PHE 64 H PHE 64 -2.448 -5.135 3.451 492 HA PHE 64 HA PHE 64 -1.846 -2.243 3.671 493 HB2 PHE 64 2HB PHE 64 -1.918 -4.147 1.285 494 HB3 PHE 64 1HB PHE 64 -1.759 -2.401 1.123 495 HD1 PHE 64 HD1 PHE 64 -0.096 -5.461 2.429 496 HD2 PHE 64 HD2 PHE 64 0.367 -1.334 1.392 497 HE1 PHE 64 HE1 PHE 64 2.336 -5.692 2.588 498 HE2 PHE 64 HE2 PHE 64 2.799 -1.575 1.566 499 HZ PHE 64 HZ PHE 64 3.787 -3.747 2.146 500 H ALA 65 H ALA 65 -4.356 -3.693 4.478 501 HA ALA 65 HA ALA 65 -6.476 -3.508 2.689 502 HB1 ALA 65 1HB ALA 65 -6.560 -4.739 4.827 503 HB2 ALA 65 2HB ALA 65 -7.941 -3.653 4.660 504 HB3 ALA 65 3HB ALA 65 -6.589 -3.210 5.709 505 H THR 66 H THR 66 -5.126 -1.036 4.804 506 HA THR 66 HA THR 66 -6.332 1.131 3.280 507 HB THR 66 HB THR 66 -6.984 2.356 5.466 508 HG1 THR 66 HG1 THR 66 -6.820 -0.297 6.487 509 HG21 THR 66 1HG2 THR 66 -8.763 1.498 3.968 510 HG22 THR 66 2HG2 THR 66 -9.232 1.377 5.664 511 HG23 THR 66 3HG2 THR 66 -8.702 -0.065 4.792 512 H VAL 67 H VAL 67 -5.402 3.314 4.345 513 HA VAL 67 HA VAL 67 -2.580 3.209 4.341 514 HB VAL 67 HB VAL 67 -3.852 5.277 3.796 515 HG11 VAL 67 1HG1 VAL 67 -4.676 6.799 5.573 516 HG12 VAL 67 2HG1 VAL 67 -4.328 5.570 6.791 517 HG13 VAL 67 3HG1 VAL 67 -5.564 5.272 5.566 518 HG21 VAL 67 1HG2 VAL 67 -2.273 6.886 4.816 519 HG22 VAL 67 2HG2 VAL 67 -1.441 5.432 4.262 520 HG23 VAL 67 3HG2 VAL 67 -1.771 5.659 5.982 521 H GLN 68 H GLN 68 -4.891 3.263 7.025 522 HA GLN 68 HA GLN 68 -2.982 3.682 9.109 523 HB2 GLN 68 2HB GLN 68 -4.868 3.126 10.640 524 HB3 GLN 68 1HB GLN 68 -5.304 4.337 9.446 525 HG2 GLN 68 2HG GLN 68 -6.473 2.595 8.122 526 HG3 GLN 68 1HG GLN 68 -6.069 1.397 9.348 527 HE21 GLN 68 1HE2 GLN 68 -7.142 1.482 11.365 528 HE22 GLN 68 2HE2 GLN 68 -8.600 2.391 11.581 529 H SER 69 H SER 69 -4.285 0.840 7.511 530 HA SER 69 HA SER 69 -3.297 -1.141 9.310 531 HB2 SER 69 2HB SER 69 -3.920 -1.435 6.335 532 HB3 SER 69 1HB SER 69 -3.850 -2.736 7.525 533 HG SER 69 HG SER 69 -5.699 -1.964 8.466 534 H MET 70 H MET 70 -2.101 0.222 6.227 535 HA MET 70 HA MET 70 0.145 -1.564 6.033 536 HB2 MET 70 2HB MET 70 0.621 -0.524 3.928 537 HB3 MET 70 1HB MET 70 -1.131 -0.621 4.056 538 HG2 MET 70 2HG MET 70 -1.248 1.756 4.619 539 HG3 MET 70 1HG MET 70 0.510 1.874 4.563 540 HE1 MET 70 1HE MET 70 -1.821 -0.199 2.083 541 HE2 MET 70 2HE MET 70 -2.110 1.016 0.837 542 HE3 MET 70 3HE MET 70 -2.767 1.243 2.458 543 H VAL 71 H VAL 71 -0.341 1.720 7.187 544 HA VAL 71 HA VAL 71 2.366 2.550 7.345 545 HB VAL 71 HB VAL 71 0.049 3.903 7.678 546 HG11 VAL 71 1HG1 VAL 71 -0.363 4.698 9.946 547 HG12 VAL 71 2HG1 VAL 71 0.880 3.603 10.555 548 HG13 VAL 71 3HG1 VAL 71 -0.585 2.945 9.831 549 HG21 VAL 71 1HG2 VAL 71 2.221 4.963 7.234 550 HG22 VAL 71 2HG2 VAL 71 2.663 4.801 8.935 551 HG23 VAL 71 3HG2 VAL 71 1.336 5.869 8.468 552 H ALA 72 H ALA 72 0.217 0.853 9.502 553 HA ALA 72 HA ALA 72 1.883 0.921 11.845 554 HB1 ALA 72 1HB ALA 72 -0.642 -0.652 11.260 555 HB2 ALA 72 2HB ALA 72 -0.599 1.002 11.874 556 HB3 ALA 72 3HB ALA 72 0.046 -0.325 12.859 557 H LEU 73 H LEU 73 1.268 -1.247 9.203 558 HA LEU 73 HA LEU 73 2.492 -3.623 10.094 559 HB2 LEU 73 2HB LEU 73 1.231 -4.007 8.200 560 HB3 LEU 73 1HB LEU 73 1.542 -2.412 7.548 561 HG LEU 73 HG LEU 73 3.877 -3.277 6.927 562 HD11 LEU 73 1HD1 LEU 73 3.946 -5.293 8.288 563 HD12 LEU 73 2HD1 LEU 73 4.143 -5.688 6.581 564 HD13 LEU 73 3HD1 LEU 73 2.597 -5.986 7.380 565 HD21 LEU 73 1HD2 LEU 73 2.148 -2.795 5.302 566 HD22 LEU 73 2HD2 LEU 73 1.459 -4.407 5.508 567 HD23 LEU 73 3HD2 LEU 73 3.074 -4.216 4.822 568 H VAL 74 H VAL 74 3.728 -0.719 8.429 569 HA VAL 74 HA VAL 74 6.432 -1.667 8.220 570 HB VAL 74 HB VAL 74 5.433 1.224 8.164 571 HG11 VAL 74 1HG1 VAL 74 7.561 1.726 6.962 572 HG12 VAL 74 2HG1 VAL 74 8.078 0.054 7.188 573 HG13 VAL 74 3HG1 VAL 74 7.866 1.106 8.588 574 HG21 VAL 74 1HG2 VAL 74 5.924 -0.675 5.828 575 HG22 VAL 74 2HG2 VAL 74 5.476 1.027 5.688 576 HG23 VAL 74 3HG2 VAL 74 4.346 -0.129 6.398 577 H GLN 75 H GLN 75 4.624 0.276 10.593 578 HA GLN 75 HA GLN 75 6.786 1.164 12.163 579 HB2 GLN 75 2HB GLN 75 3.882 0.689 12.927 580 HB3 GLN 75 1HB GLN 75 5.039 1.498 13.980 581 HG2 GLN 75 2HG GLN 75 4.294 2.483 11.209 582 HG3 GLN 75 1HG GLN 75 3.531 3.035 12.697 583 HE21 GLN 75 1HE2 GLN 75 4.174 5.164 12.286 584 HE22 GLN 75 2HE2 GLN 75 5.807 5.696 12.477 585 H ARG 76 H ARG 76 5.109 -1.958 12.246 586 HA ARG 76 HA ARG 76 6.168 -2.786 14.772 587 HB2 ARG 76 2HB ARG 76 5.365 -5.032 14.281 588 HB3 ARG 76 1HB ARG 76 4.124 -3.841 13.899 589 HG2 ARG 76 2HG ARG 76 4.541 -4.058 11.544 590 HG3 ARG 76 1HG ARG 76 5.962 -5.055 11.833 591 HD2 ARG 76 2HD ARG 76 4.498 -6.834 12.780 592 HD3 ARG 76 1HD ARG 76 3.086 -5.833 12.413 593 HE ARG 76 HE ARG 76 3.262 -6.400 10.206 594 HH11 ARG 76 1HH1 ARG 76 6.258 -7.441 11.760 595 HH12 ARG 76 2HH1 ARG 76 6.804 -8.323 10.366 596 HH21 ARG 76 1HH2 ARG 76 4.015 -7.574 8.409 597 HH22 ARG 76 2HH2 ARG 76 5.542 -8.390 8.494 598 H LEU 77 H LEU 77 7.237 -3.262 11.388 599 HA LEU 77 HA LEU 77 9.438 -4.989 12.151 600 HB2 LEU 77 2HB LEU 77 10.031 -4.951 9.710 601 HB3 LEU 77 1HB LEU 77 8.419 -5.525 10.081 602 HG LEU 77 HG LEU 77 7.570 -3.198 9.417 603 HD11 LEU 77 1HD1 LEU 77 8.966 -1.881 7.851 604 HD12 LEU 77 2HD1 LEU 77 10.358 -2.886 8.267 605 HD13 LEU 77 3HD1 LEU 77 9.585 -1.881 9.509 606 HD21 LEU 77 1HD2 LEU 77 8.810 -4.940 7.270 607 HD22 LEU 77 2HD2 LEU 77 7.543 -3.735 7.021 608 HD23 LEU 77 3HD2 LEU 77 7.224 -5.153 8.018 609 H LYS 78 H LYS 78 8.994 -1.619 12.008 610 HA LYS 78 HA LYS 78 11.513 -0.593 11.334 611 HB2 LYS 78 2HB LYS 78 9.370 0.369 13.248 612 HB3 LYS 78 1HB LYS 78 10.815 1.315 12.954 613 HG2 LYS 78 2HG LYS 78 8.795 0.513 10.853 614 HG3 LYS 78 1HG LYS 78 8.877 2.092 11.632 615 HD2 LYS 78 2HD LYS 78 11.129 0.883 9.988 616 HD3 LYS 78 1HD LYS 78 9.913 1.977 9.337 617 HE2 LYS 78 2HE LYS 78 10.668 3.719 10.959 618 HE3 LYS 78 1HE LYS 78 11.939 2.621 11.506 619 HZ1 LYS 78 1HZ LYS 78 12.895 2.665 9.340 620 HZ2 LYS 78 2HZ LYS 78 12.687 4.251 9.873 621 HZ3 LYS 78 3HZ LYS 78 11.626 3.598 8.734 622 H ALA 79 H ALA 79 10.369 -1.960 14.387 623 HA ALA 79 HA ALA 79 12.691 -1.235 15.937 624 HB1 ALA 79 1HB ALA 79 10.446 -3.178 16.563 625 HB2 ALA 79 2HB ALA 79 10.472 -1.462 16.976 626 HB3 ALA 79 3HB ALA 79 11.635 -2.564 17.718 627 H HIS 80 H HIS 80 12.137 -3.622 13.612 628 HA HIS 80 HA HIS 80 13.986 -5.610 14.730 629 HB2 HIS 80 2HB HIS 80 12.390 -5.581 12.124 630 HB3 HIS 80 1HB HIS 80 13.463 -6.885 12.609 631 HD1 HIS 80 HD1 HIS 80 12.355 -8.759 13.784 632 HD2 HIS 80 HD2 HIS 80 10.207 -5.235 14.166 633 HE1 HIS 80 HE1 HIS 80 10.262 -9.382 15.009 634 HE2 HIS 80 HE2 HIS 80 9.077 -7.192 15.398 635 HA PRO 81 HA PRO 81 17.472 -3.865 12.449 636 HB2 PRO 81 2HB PRO 81 18.885 -6.453 12.642 637 HB3 PRO 81 1HB PRO 81 19.212 -4.949 13.526 638 HG2 PRO 81 2HG PRO 81 18.234 -7.195 14.728 639 HG3 PRO 81 1HG PRO 81 17.915 -5.549 15.314 640 HD2 PRO 81 2HD PRO 81 16.122 -7.345 13.679 641 HD3 PRO 81 1HD PRO 81 15.716 -6.285 15.052 642 H GLU 82 H GLU 82 16.692 -7.236 11.640 643 HA GLU 82 HA GLU 82 16.667 -6.752 8.770 644 HB2 GLU 82 2HB GLU 82 18.285 -8.672 8.419 645 HB3 GLU 82 1HB GLU 82 19.012 -7.230 9.114 646 HG2 GLU 82 2HG GLU 82 18.973 -8.247 11.354 647 HG3 GLU 82 1HG GLU 82 18.179 -9.679 10.696 648 H GLN 83 H GLN 83 15.104 -7.983 7.890 649 HA GLN 83 HA GLN 83 14.243 -10.534 8.801 650 HB2 GLN 83 2HB GLN 83 12.111 -10.072 9.765 651 HB3 GLN 83 1HB GLN 83 13.248 -9.026 10.595 652 HG2 GLN 83 2HG GLN 83 11.355 -8.165 8.397 653 HG3 GLN 83 1HG GLN 83 11.078 -7.933 10.118 654 HE21 GLN 83 1HE2 GLN 83 11.167 -5.939 7.996 655 HE22 GLN 83 2HE2 GLN 83 12.416 -4.823 8.420 656 H GLY 84 H GLY 84 12.686 -11.489 7.448 657 HA2 GLY 84 2HA GLY 84 11.078 -11.417 5.665 658 HA3 GLY 84 1HA GLY 84 11.899 -10.017 4.999 659 H GLY 85 H GLY 85 14.564 -11.184 5.413 660 HA2 GLY 85 2HA GLY 85 14.857 -12.592 2.912 661 HA3 GLY 85 1HA GLY 85 16.126 -12.132 4.038 662 H ALA 86 H ALA 86 13.449 -14.421 3.687 663 HA ALA 86 HA ALA 86 15.040 -16.534 5.036 664 HB1 ALA 86 1HB ALA 86 12.894 -16.070 6.166 665 HB2 ALA 86 2HB ALA 86 12.872 -17.671 5.427 666 HB3 ALA 86 3HB ALA 86 12.018 -16.333 4.654 667 H ALA 87 H ALA 87 15.929 -17.943 3.646 668 HA ALA 87 HA ALA 87 16.489 -19.156 1.824 669 HB1 ALA 87 1HB ALA 87 14.687 -20.248 0.517 670 HB2 ALA 87 2HB ALA 87 13.506 -19.145 1.230 671 HB3 ALA 87 3HB ALA 87 14.350 -20.308 2.251 672 H LEU 88 H LEU 88 16.298 -16.166 1.659 673 HA LEU 88 HA LEU 88 16.294 -15.813 -1.284 674 HB2 LEU 88 2HB LEU 88 15.159 -13.924 0.831 675 HB3 LEU 88 1HB LEU 88 15.426 -13.458 -0.843 676 HG LEU 88 HG LEU 88 13.485 -15.621 0.084 677 HD11 LEU 88 1HD1 LEU 88 12.693 -13.398 0.722 678 HD12 LEU 88 2HD1 LEU 88 11.693 -14.081 -0.556 679 HD13 LEU 88 3HD1 LEU 88 12.878 -12.830 -0.941 680 HD21 LEU 88 1HD2 LEU 88 13.953 -14.526 -2.721 681 HD22 LEU 88 2HD2 LEU 88 12.683 -15.660 -2.253 682 HD23 LEU 88 3HD2 LEU 88 14.373 -16.144 -2.144 683 H GLU 89 H GLU 89 17.915 -14.537 -2.095 684 HA GLU 89 HA GLU 89 20.075 -13.617 -0.332 685 HB2 GLU 89 2HB GLU 89 19.918 -13.709 -3.390 686 HB3 GLU 89 1HB GLU 89 21.342 -13.260 -2.456 687 HG2 GLU 89 2HG GLU 89 20.016 -15.992 -2.447 688 HG3 GLU 89 1HG GLU 89 21.483 -15.562 -3.330 689 H282 PNS 101 3H28 PNS 136 0.487 -9.467 -4.416 690 H281 PNS 101 2H28 PNS 136 0.423 -10.497 -5.841 691 H303 PNS 101 3H51 PNS 136 1.151 -11.590 -2.354 692 H302 PNS 101 2H51 PNS 136 2.904 -11.523 -2.508 693 H301 PNS 101 1H51 PNS 136 1.969 -10.022 -2.498 694 H313 PNS 101 3H52 PNS 136 3.937 -10.804 -4.723 695 H312 PNS 101 2H52 PNS 136 2.972 -9.332 -4.668 696 H311 PNS 101 1H52 PNS 136 2.891 -10.396 -6.088 697 H32 PNS 101 H32 PNS 136 1.015 -13.127 -4.335 698 H33 PNS 101 H33 PNS 136 0.721 -12.398 -6.447 699 H36 PNS 101 H36 PNS 136 3.895 -12.878 -6.253 700 H372 PNS 101 3H37 PNS 136 5.895 -13.617 -4.375 701 H371 PNS 101 2H37 PNS 136 5.285 -15.045 -5.214 702 H382 PNS 101 3H38 PNS 136 7.279 -14.166 -6.341 703 H381 PNS 101 2H38 PNS 136 5.863 -14.044 -7.385 704 H41 PNS 101 H41 PNS 136 5.072 -11.996 -7.944 705 H422 PNS 101 3H42 PNS 136 6.712 -9.899 -8.477 706 H421 PNS 101 2H42 PNS 136 6.096 -9.521 -6.867 707 H431 PNS 101 2H43 PNS 136 3.780 -9.653 -7.735 708 H432 PNS 101 3H43 PNS 136 4.735 -8.448 -8.621 709 H44 PNS 101 H44 PNS 136 4.106 -11.643 -9.699 Start of MODEL 2 1 H1 MET 1 1H MET 1 4.127 15.901 -0.803 2 H2 MET 1 2H MET 1 2.898 17.046 -0.659 3 H3 MET 1 3H MET 1 3.006 16.093 -2.048 4 HA MET 1 HA MET 1 2.454 15.103 0.668 5 HB2 MET 1 2HB MET 1 0.611 15.394 -1.744 6 HB3 MET 1 1HB MET 1 0.171 14.608 -0.230 7 HG2 MET 1 2HG MET 1 -0.779 16.838 -0.321 8 HG3 MET 1 1HG MET 1 0.446 16.781 0.952 9 HE1 MET 1 1HE MET 1 0.611 19.453 1.055 10 HE2 MET 1 2HE MET 1 -0.658 19.565 -0.166 11 HE3 MET 1 3HE MET 1 0.844 20.464 -0.372 12 H LEU 2 H LEU 2 3.262 13.097 0.859 13 HA LEU 2 HA LEU 2 3.947 11.476 -1.456 14 HB2 LEU 2 2HB LEU 2 5.040 9.965 0.010 15 HB3 LEU 2 1HB LEU 2 5.412 11.572 0.595 16 HG LEU 2 HG LEU 2 3.283 9.806 1.895 17 HD11 LEU 2 1HD1 LEU 2 4.931 9.216 3.609 18 HD12 LEU 2 2HD1 LEU 2 6.196 10.068 2.718 19 HD13 LEU 2 3HD1 LEU 2 5.427 8.640 2.020 20 HD21 LEU 2 1HD2 LEU 2 4.732 12.257 2.969 21 HD22 LEU 2 2HD2 LEU 2 3.517 11.305 3.829 22 HD23 LEU 2 3HD2 LEU 2 3.066 12.212 2.390 23 H GLU 3 H GLU 3 1.300 11.752 0.744 24 HA GLU 3 HA GLU 3 0.056 9.239 0.511 25 HB2 GLU 3 2HB GLU 3 -0.707 10.891 2.139 26 HB3 GLU 3 1HB GLU 3 -1.119 12.027 0.856 27 HG2 GLU 3 2HG GLU 3 -2.839 10.298 0.056 28 HG3 GLU 3 1HG GLU 3 -2.520 9.431 1.554 29 H SER 4 H SER 4 -0.563 12.251 -1.309 30 HA SER 4 HA SER 4 -2.336 11.254 -3.242 31 HB2 SER 4 2HB SER 4 -1.700 13.342 -4.510 32 HB3 SER 4 1HB SER 4 -2.097 13.650 -2.822 33 HG SER 4 HG SER 4 0.156 14.202 -4.125 34 H LYS 5 H LYS 5 1.151 11.280 -3.047 35 HA LYS 5 HA LYS 5 1.796 10.746 -5.741 36 HB2 LYS 5 2HB LYS 5 3.357 11.713 -4.058 37 HB3 LYS 5 1HB LYS 5 3.386 10.174 -3.200 38 HG2 LYS 5 2HG LYS 5 4.441 9.087 -5.127 39 HG3 LYS 5 1HG LYS 5 4.339 10.590 -6.051 40 HD2 LYS 5 2HD LYS 5 5.856 11.682 -4.395 41 HD3 LYS 5 1HD LYS 5 5.993 10.144 -3.533 42 HE2 LYS 5 2HE LYS 5 6.865 10.667 -6.400 43 HE3 LYS 5 1HE LYS 5 7.927 10.484 -5.005 44 HZ1 LYS 5 1HZ LYS 5 6.132 8.383 -6.100 45 HZ2 LYS 5 2HZ LYS 5 7.145 8.208 -4.753 46 HZ3 LYS 5 3HZ LYS 5 7.810 8.456 -6.288 47 H LEU 6 H LEU 6 1.413 8.554 -2.889 48 HA LEU 6 HA LEU 6 2.096 6.189 -4.349 49 HB2 LEU 6 2HB LEU 6 1.527 4.915 -2.353 50 HB3 LEU 6 1HB LEU 6 2.495 6.311 -1.941 51 HG LEU 6 HG LEU 6 0.103 7.385 -1.365 52 HD11 LEU 6 1HD1 LEU 6 -1.465 5.787 -0.361 53 HD12 LEU 6 2HD1 LEU 6 -0.479 4.440 -0.934 54 HD13 LEU 6 3HD1 LEU 6 -1.273 5.510 -2.090 55 HD21 LEU 6 1HD2 LEU 6 1.954 7.158 0.221 56 HD22 LEU 6 2HD2 LEU 6 1.499 5.480 0.535 57 HD23 LEU 6 3HD2 LEU 6 0.404 6.797 0.978 58 H ILE 7 H ILE 7 -0.969 7.806 -3.549 59 HA ILE 7 HA ILE 7 -2.708 5.752 -4.485 60 HB ILE 7 HB ILE 7 -3.231 8.758 -4.495 61 HG12 ILE 7 2HG1 ILE 7 -4.195 6.795 -2.367 62 HG13 ILE 7 1HG1 ILE 7 -2.677 7.676 -2.206 63 HG21 ILE 7 1HG2 ILE 7 -5.643 8.140 -4.551 64 HG22 ILE 7 2HG2 ILE 7 -5.204 6.433 -4.648 65 HG23 ILE 7 3HG2 ILE 7 -4.790 7.524 -5.971 66 HD11 ILE 7 1HD1 ILE 7 -5.413 8.937 -2.462 67 HD12 ILE 7 2HD1 ILE 7 -3.884 9.805 -2.278 68 HD13 ILE 7 3HD1 ILE 7 -4.472 8.763 -0.982 69 H ASN 8 H ASN 8 -1.648 8.817 -6.019 70 HA ASN 8 HA ASN 8 -2.860 8.482 -8.500 71 HB2 ASN 8 2HB ASN 8 -2.012 10.663 -7.757 72 HB3 ASN 8 1HB ASN 8 -0.355 10.077 -7.794 73 HD21 ASN 8 1HD2 ASN 8 0.669 9.803 -9.792 74 HD22 ASN 8 2HD2 ASN 8 0.076 10.504 -11.253 75 H HIS 9 H HIS 9 0.180 7.215 -7.300 76 HA HIS 9 HA HIS 9 1.552 6.600 -9.637 77 HB2 HIS 9 2HB HIS 9 2.479 6.402 -7.315 78 HB3 HIS 9 1HB HIS 9 1.519 4.947 -7.066 79 HD1 HIS 9 HD1 HIS 9 4.801 6.022 -8.155 80 HD2 HIS 9 HD2 HIS 9 2.315 2.797 -8.985 81 HE1 HIS 9 HE1 HIS 9 6.291 4.270 -9.145 82 HE2 HIS 9 HE2 HIS 9 4.812 2.253 -9.384 83 H ILE 10 H ILE 10 -0.427 4.238 -7.743 84 HA ILE 10 HA ILE 10 -0.627 2.495 -10.058 85 HB ILE 10 HB ILE 10 -2.174 1.125 -8.509 86 HG12 ILE 10 2HG1 ILE 10 -1.653 1.487 -6.006 87 HG13 ILE 10 1HG1 ILE 10 -1.063 3.078 -6.434 88 HG21 ILE 10 1HG2 ILE 10 0.760 1.447 -7.793 89 HG22 ILE 10 2HG2 ILE 10 0.082 0.429 -9.065 90 HG23 ILE 10 3HG2 ILE 10 -0.250 0.054 -7.375 91 HD11 ILE 10 1HD1 ILE 10 -3.879 2.067 -6.809 92 HD12 ILE 10 2HD1 ILE 10 -3.288 3.682 -7.204 93 HD13 ILE 10 3HD1 ILE 10 -3.307 3.140 -5.528 94 H ALA 11 H ALA 11 -2.612 4.963 -8.609 95 HA ALA 11 HA ALA 11 -5.115 4.417 -9.714 96 HB1 ALA 11 1HB ALA 11 -3.863 7.154 -9.324 97 HB2 ALA 11 2HB ALA 11 -4.717 6.242 -8.081 98 HB3 ALA 11 3HB ALA 11 -5.586 6.814 -9.509 99 H THR 12 H THR 12 -2.134 5.458 -11.203 100 HA THR 12 HA THR 12 -3.098 6.540 -13.631 101 HB THR 12 HB THR 12 -0.468 5.065 -13.155 102 HG1 THR 12 HG1 THR 12 -1.350 7.326 -12.124 103 HG21 THR 12 1HG2 THR 12 0.391 6.403 -15.064 104 HG22 THR 12 2HG2 THR 12 -1.210 7.107 -15.309 105 HG23 THR 12 3HG2 THR 12 -0.953 5.383 -15.583 106 H GLN 13 H GLN 13 -2.235 3.240 -12.655 107 HA GLN 13 HA GLN 13 -2.821 2.153 -15.328 108 HB2 GLN 13 2HB GLN 13 -1.852 0.049 -14.461 109 HB3 GLN 13 1HB GLN 13 -0.755 1.403 -14.226 110 HG2 GLN 13 2HG GLN 13 -1.343 1.533 -11.871 111 HG3 GLN 13 1HG GLN 13 -2.531 0.252 -12.057 112 HE21 GLN 13 1HE2 GLN 13 -1.774 -1.893 -12.381 113 HE22 GLN 13 2HE2 GLN 13 -0.175 -2.355 -11.927 114 H PHE 14 H PHE 14 -4.254 2.399 -12.192 115 HA PHE 14 HA PHE 14 -6.072 0.121 -12.584 116 HB2 PHE 14 2HB PHE 14 -4.958 1.599 -10.191 117 HB3 PHE 14 1HB PHE 14 -6.595 0.974 -10.014 118 HD1 PHE 14 HD1 PHE 14 -5.586 -0.380 -8.118 119 HD2 PHE 14 HD2 PHE 14 -4.417 -0.998 -12.197 120 HE1 PHE 14 HE1 PHE 14 -4.735 -2.615 -7.573 121 HE2 PHE 14 HE2 PHE 14 -3.567 -3.213 -11.619 122 HZ PHE 14 HZ PHE 14 -3.734 -4.032 -9.311 123 H LEU 15 H LEU 15 -6.114 3.640 -12.275 124 HA LEU 15 HA LEU 15 -9.103 3.631 -12.462 125 HB2 LEU 15 2HB LEU 15 -7.456 5.717 -10.981 126 HB3 LEU 15 1HB LEU 15 -9.198 5.500 -10.952 127 HG LEU 15 HG LEU 15 -7.170 3.614 -9.686 128 HD11 LEU 15 1HD1 LEU 15 -7.845 4.518 -7.572 129 HD12 LEU 15 2HD1 LEU 15 -9.033 5.588 -8.317 130 HD13 LEU 15 3HD1 LEU 15 -7.305 5.839 -8.599 131 HD21 LEU 15 1HD2 LEU 15 -9.109 2.544 -8.603 132 HD22 LEU 15 2HD2 LEU 15 -9.194 2.405 -10.356 133 HD23 LEU 15 3HD2 LEU 15 -10.211 3.580 -9.516 134 H ASP 16 H ASP 16 -6.748 4.047 -14.446 135 HA ASP 16 HA ASP 16 -6.480 5.120 -16.427 136 HB2 ASP 16 2HB ASP 16 -9.093 5.126 -16.281 137 HB3 ASP 16 1HB ASP 16 -8.950 6.801 -15.794 138 H GLY 17 H GLY 17 -5.612 6.296 -13.733 139 HA2 GLY 17 2HA GLY 17 -3.984 7.987 -13.426 140 HA3 GLY 17 1HA GLY 17 -4.726 8.951 -14.688 141 H GLU 18 H GLU 18 -7.321 7.948 -13.007 142 HA GLU 18 HA GLU 18 -7.510 10.567 -11.670 143 HB2 GLU 18 2HB GLU 18 -9.737 10.588 -12.268 144 HB3 GLU 18 1HB GLU 18 -9.223 9.420 -13.484 145 HG2 GLU 18 2HG GLU 18 -9.977 7.580 -12.016 146 HG3 GLU 18 1HG GLU 18 -10.499 8.754 -10.806 147 H LYS 19 H LYS 19 -8.293 10.711 -9.470 148 HA LYS 19 HA LYS 19 -8.072 8.263 -7.837 149 HB2 LYS 19 2HB LYS 19 -8.580 11.120 -6.928 150 HB3 LYS 19 1HB LYS 19 -8.267 9.722 -5.897 151 HG2 LYS 19 2HG LYS 19 -5.992 9.593 -7.257 152 HG3 LYS 19 1HG LYS 19 -6.343 11.291 -7.607 153 HD2 LYS 19 2HD LYS 19 -5.988 9.991 -4.889 154 HD3 LYS 19 1HD LYS 19 -4.950 11.211 -5.629 155 HE2 LYS 19 2HE LYS 19 -6.752 12.882 -5.431 156 HE3 LYS 19 1HE LYS 19 -7.831 11.658 -4.753 157 HZ1 LYS 19 1HZ LYS 19 -6.863 13.050 -3.062 158 HZ2 LYS 19 2HZ LYS 19 -5.305 12.602 -3.526 159 HZ3 LYS 19 3HZ LYS 19 -6.360 11.446 -2.872 160 H ASP 20 H ASP 20 -9.920 7.113 -7.848 161 HA ASP 20 HA ASP 20 -12.375 8.284 -6.887 162 HB2 ASP 20 2HB ASP 20 -12.411 8.770 -9.384 163 HB3 ASP 20 1HB ASP 20 -12.404 7.037 -9.682 164 H GLY 21 H GLY 21 -12.945 6.858 -5.408 165 HA2 GLY 21 2HA GLY 21 -13.683 4.839 -4.504 166 HA3 GLY 21 1HA GLY 21 -13.064 3.978 -5.905 167 H LEU 22 H LEU 22 -10.473 5.679 -5.367 168 HA LEU 22 HA LEU 22 -9.306 3.953 -3.274 169 HB2 LEU 22 2HB LEU 22 -8.862 3.296 -5.771 170 HB3 LEU 22 1HB LEU 22 -7.809 4.678 -5.820 171 HG LEU 22 HG LEU 22 -7.405 2.411 -3.820 172 HD11 LEU 22 1HD1 LEU 22 -7.345 1.423 -6.057 173 HD12 LEU 22 2HD1 LEU 22 -5.733 1.453 -5.352 174 HD13 LEU 22 3HD1 LEU 22 -6.173 2.633 -6.589 175 HD21 LEU 22 1HD2 LEU 22 -6.213 4.475 -3.244 176 HD22 LEU 22 2HD2 LEU 22 -5.473 4.522 -4.844 177 HD23 LEU 22 3HD2 LEU 22 -5.073 3.218 -3.721 178 H ASP 23 H ASP 23 -8.982 5.404 -1.755 179 HA ASP 23 HA ASP 23 -6.718 7.226 -2.212 180 HB2 ASP 23 2HB ASP 23 -9.149 7.774 -0.448 181 HB3 ASP 23 1HB ASP 23 -7.603 8.554 -0.147 182 H SER 24 H SER 24 -5.554 7.542 -0.052 183 HA SER 24 HA SER 24 -4.610 5.061 0.852 184 HB2 SER 24 2HB SER 24 -4.298 7.821 2.100 185 HB3 SER 24 1HB SER 24 -3.283 6.425 2.448 186 HG SER 24 HG SER 24 -2.192 7.507 0.939 187 H GLN 25 H GLN 25 -6.894 7.364 2.328 188 HA GLN 25 HA GLN 25 -7.201 5.869 4.803 189 HB2 GLN 25 2HB GLN 25 -8.696 8.314 3.752 190 HB3 GLN 25 1HB GLN 25 -8.801 7.674 5.393 191 HG2 GLN 25 2HG GLN 25 -6.388 8.139 5.721 192 HG3 GLN 25 1HG GLN 25 -6.311 8.816 4.093 193 HE21 GLN 25 1HE2 GLN 25 -5.745 10.092 6.622 194 HE22 GLN 25 2HE2 GLN 25 -6.791 11.464 6.720 195 H THR 26 H THR 26 -8.630 5.814 1.711 196 HA THR 26 HA THR 26 -11.280 4.951 2.376 197 HB THR 26 HB THR 26 -9.713 4.753 -0.246 198 HG1 THR 26 HG1 THR 26 -10.400 6.873 0.962 199 HG21 THR 26 1HG2 THR 26 -11.928 4.592 -1.342 200 HG22 THR 26 2HG2 THR 26 -12.716 4.545 0.242 201 HG23 THR 26 3HG2 THR 26 -11.662 3.223 -0.258 202 HA PRO 27 HA PRO 27 -10.223 0.656 3.280 203 HB2 PRO 27 2HB PRO 27 -12.706 -0.494 2.940 204 HB3 PRO 27 1HB PRO 27 -12.263 0.450 4.382 205 HG2 PRO 27 2HG PRO 27 -13.821 1.322 1.962 206 HG3 PRO 27 1HG PRO 27 -14.139 1.664 3.678 207 HD2 PRO 27 2HD PRO 27 -12.965 3.482 2.061 208 HD3 PRO 27 1HD PRO 27 -12.530 3.356 3.772 209 H LEU 28 H LEU 28 -8.902 0.081 1.632 210 HA LEU 28 HA LEU 28 -9.468 0.192 -1.103 211 HB2 LEU 28 2HB LEU 28 -7.305 -1.373 0.343 212 HB3 LEU 28 1HB LEU 28 -7.314 -1.031 -1.379 213 HG LEU 28 HG LEU 28 -7.065 1.033 0.850 214 HD11 LEU 28 1HD1 LEU 28 -5.010 0.109 -1.182 215 HD12 LEU 28 2HD1 LEU 28 -5.012 -0.245 0.548 216 HD13 LEU 28 3HD1 LEU 28 -4.799 1.412 -0.006 217 HD21 LEU 28 1HD2 LEU 28 -6.726 2.695 -0.949 218 HD22 LEU 28 2HD2 LEU 28 -8.340 1.994 -0.982 219 HD23 LEU 28 3HD2 LEU 28 -7.129 1.467 -2.156 220 H PHE 29 H PHE 29 -9.206 -2.736 0.971 221 HA PHE 29 HA PHE 29 -10.123 -4.425 -1.242 222 HB2 PHE 29 2HB PHE 29 -8.980 -5.105 1.499 223 HB3 PHE 29 1HB PHE 29 -9.587 -6.325 0.375 224 HD1 PHE 29 HD1 PHE 29 -6.825 -4.097 1.125 225 HD2 PHE 29 HD2 PHE 29 -8.507 -6.598 -1.897 226 HE1 PHE 29 HE1 PHE 29 -4.702 -4.058 -0.067 227 HE2 PHE 29 HE2 PHE 29 -6.366 -6.558 -3.109 228 HZ PHE 29 HZ PHE 29 -4.469 -5.290 -2.202 229 H GLU 30 H GLU 30 -11.550 -3.001 1.611 230 HA GLU 30 HA GLU 30 -13.822 -4.726 1.758 231 HB2 GLU 30 2HB GLU 30 -13.541 -1.786 2.471 232 HB3 GLU 30 1HB GLU 30 -14.975 -2.749 2.811 233 HG2 GLU 30 2HG GLU 30 -13.536 -4.275 4.202 234 HG3 GLU 30 1HG GLU 30 -12.206 -3.138 3.964 235 H LEU 31 H LEU 31 -13.060 -1.808 -0.118 236 HA LEU 31 HA LEU 31 -15.501 -2.030 -1.728 237 HB2 LEU 31 2HB LEU 31 -13.131 -0.154 -2.097 238 HB3 LEU 31 1HB LEU 31 -14.715 -0.008 -2.842 239 HG LEU 31 HG LEU 31 -13.960 0.476 0.056 240 HD11 LEU 31 1HD1 LEU 31 -14.813 2.713 -0.313 241 HD12 LEU 31 2HD1 LEU 31 -15.238 2.311 -1.979 242 HD13 LEU 31 3HD1 LEU 31 -13.545 2.318 -1.474 243 HD21 LEU 31 1HD2 LEU 31 -16.335 0.920 0.565 244 HD22 LEU 31 2HD2 LEU 31 -16.023 -0.769 0.180 245 HD23 LEU 31 3HD2 LEU 31 -16.790 0.280 -1.021 246 H ASN 32 H ASN 32 -12.299 -3.198 -1.725 247 HA ASN 32 HA ASN 32 -11.183 -4.708 -2.958 248 HB2 ASN 32 2HB ASN 32 -13.472 -5.826 -2.969 249 HB3 ASN 32 1HB ASN 32 -13.784 -5.084 -4.535 250 HD21 ASN 32 1HD2 ASN 32 -14.012 -7.060 -5.536 251 HD22 ASN 32 2HD2 ASN 32 -12.699 -8.134 -5.847 252 H ILE 33 H ILE 33 -11.075 -1.946 -3.667 253 HA ILE 33 HA ILE 33 -11.183 -1.558 -6.503 254 HB ILE 33 HB ILE 33 -9.760 0.133 -4.390 255 HG12 ILE 33 2HG1 ILE 33 -12.182 -0.158 -3.853 256 HG13 ILE 33 1HG1 ILE 33 -11.827 1.501 -4.313 257 HG21 ILE 33 1HG2 ILE 33 -10.020 1.986 -6.045 258 HG22 ILE 33 2HG2 ILE 33 -10.673 0.842 -7.219 259 HG23 ILE 33 3HG2 ILE 33 -9.004 0.680 -6.660 260 HD11 ILE 33 1HD1 ILE 33 -13.912 0.766 -5.255 261 HD12 ILE 33 2HD1 ILE 33 -13.122 -0.589 -6.055 262 HD13 ILE 33 3HD1 ILE 33 -12.752 1.069 -6.544 263 H VAL 34 H VAL 34 -8.397 -1.770 -4.218 264 HA VAL 34 HA VAL 34 -6.533 -1.971 -6.487 265 HB VAL 34 HB VAL 34 -5.998 -0.548 -4.457 266 HG11 VAL 34 1HG1 VAL 34 -6.770 -2.073 -2.686 267 HG12 VAL 34 2HG1 VAL 34 -5.097 -1.575 -2.429 268 HG13 VAL 34 3HG1 VAL 34 -5.448 -3.183 -3.066 269 HG21 VAL 34 1HG2 VAL 34 -3.914 -2.653 -5.176 270 HG22 VAL 34 2HG2 VAL 34 -3.573 -1.109 -4.386 271 HG23 VAL 34 3HG2 VAL 34 -4.213 -1.135 -6.028 272 H ASP 35 H ASP 35 -4.939 -3.749 -6.567 273 HA ASP 35 HA ASP 35 -6.207 -6.345 -5.890 274 HB2 ASP 35 2HB ASP 35 -6.220 -5.753 -8.313 275 HB3 ASP 35 1HB ASP 35 -4.479 -5.613 -8.306 276 H SER 36 H SER 36 -4.805 -8.116 -5.776 277 HA SER 36 HA SER 36 -2.736 -8.195 -3.916 278 HB2 SER 36 2HB SER 36 -3.923 -10.180 -4.312 279 HB3 SER 36 1HB SER 36 -3.818 -10.041 -6.061 280 H ALA 37 H ALA 37 -2.536 -8.016 -7.474 281 HA ALA 37 HA ALA 37 0.285 -8.460 -7.698 282 HB1 ALA 37 1HB ALA 37 -1.594 -7.223 -9.753 283 HB2 ALA 37 2HB ALA 37 -1.239 -8.943 -9.585 284 HB3 ALA 37 3HB ALA 37 0.038 -7.824 -10.064 285 H ALA 38 H ALA 38 -1.677 -5.584 -7.162 286 HA ALA 38 HA ALA 38 0.362 -3.665 -7.929 287 HB1 ALA 38 1HB ALA 38 -1.211 -1.967 -7.079 288 HB2 ALA 38 2HB ALA 38 -2.253 -3.246 -6.442 289 HB3 ALA 38 3HB ALA 38 -2.004 -3.092 -8.179 290 H ILE 39 H ILE 39 -0.453 -5.440 -5.064 291 HA ILE 39 HA ILE 39 0.403 -3.699 -3.027 292 HB ILE 39 HB ILE 39 0.391 -6.758 -3.076 293 HG12 ILE 39 2HG1 ILE 39 -1.837 -5.775 -3.463 294 HG13 ILE 39 1HG1 ILE 39 -1.788 -6.537 -1.881 295 HG21 ILE 39 1HG2 ILE 39 0.605 -4.925 -0.644 296 HG22 ILE 39 2HG2 ILE 39 1.874 -5.983 -1.259 297 HG23 ILE 39 3HG2 ILE 39 0.398 -6.679 -0.591 298 HD11 ILE 39 1HD1 ILE 39 -2.995 -4.444 -1.844 299 HD12 ILE 39 2HD1 ILE 39 -1.577 -3.573 -2.414 300 HD13 ILE 39 3HD1 ILE 39 -1.565 -4.351 -0.826 301 H PHE 40 H PHE 40 2.200 -5.946 -5.088 302 HA PHE 40 HA PHE 40 4.714 -5.883 -3.816 303 HB2 PHE 40 2HB PHE 40 4.127 -7.558 -5.534 304 HB3 PHE 40 1HB PHE 40 4.030 -6.298 -6.761 305 HD1 PHE 40 HD1 PHE 40 6.437 -7.819 -4.307 306 HD2 PHE 40 HD2 PHE 40 5.968 -5.824 -8.077 307 HE1 PHE 40 HE1 PHE 40 8.842 -8.073 -4.760 308 HE2 PHE 40 HE2 PHE 40 8.375 -6.094 -8.511 309 HZ PHE 40 HZ PHE 40 9.809 -7.217 -6.853 310 H ASP 41 H ASP 41 3.154 -3.529 -5.888 311 HA ASP 41 HA ASP 41 5.537 -1.935 -6.356 312 HB2 ASP 41 2HB ASP 41 3.723 -1.961 -8.017 313 HB3 ASP 41 1HB ASP 41 2.573 -1.361 -6.829 314 H LEU 42 H LEU 42 2.632 -1.775 -4.281 315 HA LEU 42 HA LEU 42 3.069 0.719 -3.065 316 HB2 LEU 42 2HB LEU 42 1.460 -1.718 -2.286 317 HB3 LEU 42 1HB LEU 42 1.646 -0.426 -1.114 318 HG LEU 42 HG LEU 42 0.568 1.179 -2.667 319 HD11 LEU 42 1HD1 LEU 42 0.128 -1.144 -4.546 320 HD12 LEU 42 2HD1 LEU 42 1.199 0.227 -4.819 321 HD13 LEU 42 3HD1 LEU 42 -0.542 0.482 -4.726 322 HD21 LEU 42 1HD2 LEU 42 -0.829 0.017 -1.040 323 HD22 LEU 42 2HD2 LEU 42 -1.102 -1.309 -2.173 324 HD23 LEU 42 3HD2 LEU 42 -1.733 0.303 -2.526 325 H VAL 43 H VAL 43 4.337 -2.475 -2.232 326 HA VAL 43 HA VAL 43 5.420 -1.764 0.307 327 HB VAL 43 HB VAL 43 6.675 -3.837 0.275 328 HG11 VAL 43 1HG1 VAL 43 4.310 -3.971 0.750 329 HG12 VAL 43 2HG1 VAL 43 4.844 -5.427 -0.065 330 HG13 VAL 43 3HG1 VAL 43 3.934 -4.208 -0.952 331 HG21 VAL 43 1HG2 VAL 43 7.574 -3.843 -2.020 332 HG22 VAL 43 2HG2 VAL 43 5.966 -4.137 -2.675 333 HG23 VAL 43 3HG2 VAL 43 6.752 -5.370 -1.687 334 H ASP 44 H ASP 44 6.656 -1.586 -3.008 335 HA ASP 44 HA ASP 44 9.378 -1.111 -2.400 336 HB2 ASP 44 2HB ASP 44 8.523 -1.670 -4.683 337 HB3 ASP 44 1HB ASP 44 7.793 -0.088 -4.784 338 H PHE 45 H PHE 45 6.539 0.963 -2.771 339 HA PHE 45 HA PHE 45 7.846 3.428 -2.606 340 HB2 PHE 45 2HB PHE 45 5.498 3.126 -3.418 341 HB3 PHE 45 1HB PHE 45 4.986 2.758 -1.778 342 HD1 PHE 45 HD1 PHE 45 6.117 5.433 -4.064 343 HD2 PHE 45 HD2 PHE 45 4.734 4.571 -0.099 344 HE1 PHE 45 HE1 PHE 45 5.753 7.830 -3.657 345 HE2 PHE 45 HE2 PHE 45 4.380 6.974 0.291 346 HZ PHE 45 HZ PHE 45 4.887 8.601 -1.484 347 H LEU 46 H LEU 46 6.151 1.479 -0.094 348 HA LEU 46 HA LEU 46 6.624 3.266 2.074 349 HB2 LEU 46 2HB LEU 46 6.003 0.289 2.159 350 HB3 LEU 46 1HB LEU 46 5.887 1.388 3.528 351 HG LEU 46 HG LEU 46 4.165 1.498 1.020 352 HD11 LEU 46 1HD1 LEU 46 3.632 -0.415 2.431 353 HD12 LEU 46 2HD1 LEU 46 2.341 0.780 2.459 354 HD13 LEU 46 3HD1 LEU 46 3.440 0.645 3.834 355 HD21 LEU 46 1HD2 LEU 46 2.851 3.224 2.200 356 HD22 LEU 46 2HD2 LEU 46 4.498 3.755 1.883 357 HD23 LEU 46 3HD2 LEU 46 4.038 3.241 3.508 358 H ARG 47 H ARG 47 8.458 0.491 0.865 359 HA ARG 47 HA ARG 47 10.151 0.228 3.162 360 HB2 ARG 47 2HB ARG 47 11.314 -1.466 1.972 361 HB3 ARG 47 1HB ARG 47 9.648 -1.619 1.451 362 HG2 ARG 47 2HG ARG 47 10.232 -0.431 -0.659 363 HG3 ARG 47 1HG ARG 47 11.915 -0.357 -0.131 364 HD2 ARG 47 2HD ARG 47 11.985 -2.840 -0.068 365 HD3 ARG 47 1HD ARG 47 10.313 -2.896 -0.637 366 HE ARG 47 HE ARG 47 11.107 -1.777 -2.701 367 HH11 ARG 47 1HH1 ARG 47 13.481 -3.507 -0.769 368 HH12 ARG 47 2HH1 ARG 47 14.554 -3.761 -2.105 369 HH21 ARG 47 1HH2 ARG 47 12.536 -2.091 -4.433 370 HH22 ARG 47 2HH2 ARG 47 14.024 -2.964 -4.179 371 H GLN 48 H GLN 48 10.246 2.001 0.171 372 HA GLN 48 HA GLN 48 12.910 2.989 0.283 373 HB2 GLN 48 2HB GLN 48 11.449 2.911 -1.776 374 HB3 GLN 48 1HB GLN 48 10.429 4.151 -1.058 375 HG2 GLN 48 2HG GLN 48 12.462 5.683 -1.050 376 HG3 GLN 48 1HG GLN 48 13.293 4.447 -1.998 377 HE21 GLN 48 1HE2 GLN 48 9.871 5.335 -2.304 378 HE22 GLN 48 2HE2 GLN 48 10.006 5.978 -3.897 379 H GLU 49 H GLU 49 9.717 4.300 1.186 380 HA GLU 49 HA GLU 49 10.595 6.852 2.041 381 HB2 GLU 49 2HB GLU 49 7.992 5.345 2.539 382 HB3 GLU 49 1HB GLU 49 8.254 7.002 3.061 383 HG2 GLU 49 2HG GLU 49 8.092 5.955 0.226 384 HG3 GLU 49 1HG GLU 49 7.013 7.094 1.025 385 H SER 50 H SER 50 10.164 3.828 3.717 386 HA SER 50 HA SER 50 10.717 5.071 6.351 387 HB2 SER 50 2HB SER 50 9.823 2.230 5.753 388 HB3 SER 50 1HB SER 50 9.868 3.034 7.321 389 HG SER 50 HG SER 50 8.097 3.363 5.192 390 H LYS 51 H LYS 51 12.518 3.836 3.905 391 HA LYS 51 HA LYS 51 14.686 3.271 3.684 392 HB2 LYS 51 2HB LYS 51 14.911 4.351 6.536 393 HB3 LYS 51 1HB LYS 51 16.264 4.073 5.444 394 HG2 LYS 51 2HG LYS 51 15.964 6.339 5.144 395 HG3 LYS 51 1HG LYS 51 14.946 5.730 3.849 396 HD2 LYS 51 2HD LYS 51 12.965 6.007 5.376 397 HD3 LYS 51 1HD LYS 51 14.032 6.751 6.570 398 HE2 LYS 51 2HE LYS 51 13.497 7.794 3.768 399 HE3 LYS 51 1HE LYS 51 12.810 8.441 5.257 400 HZ1 LYS 51 1HZ LYS 51 14.689 9.756 4.528 401 HZ2 LYS 51 2HZ LYS 51 15.694 8.401 4.557 402 HZ3 LYS 51 3HZ LYS 51 15.044 8.995 5.996 403 H VAL 52 H VAL 52 12.978 1.177 4.475 404 HA VAL 52 HA VAL 52 14.828 -0.699 5.801 405 HB VAL 52 HB VAL 52 13.365 0.105 7.627 406 HG11 VAL 52 1HG1 VAL 52 10.906 -0.219 7.595 407 HG12 VAL 52 2HG1 VAL 52 11.000 -0.805 5.934 408 HG13 VAL 52 3HG1 VAL 52 11.429 0.865 6.304 409 HG21 VAL 52 1HG2 VAL 52 12.636 -2.737 6.789 410 HG22 VAL 52 2HG2 VAL 52 12.434 -2.065 8.409 411 HG23 VAL 52 3HG2 VAL 52 14.050 -2.258 7.733 412 H SER 53 H SER 53 14.670 -2.738 4.899 413 HA SER 53 HA SER 53 12.909 -3.099 2.592 414 HB2 SER 53 2HB SER 53 14.192 -5.239 2.297 415 HB3 SER 53 1HB SER 53 15.213 -3.805 2.314 416 HG SER 53 HG SER 53 15.930 -5.660 3.589 417 H ILE 54 H ILE 54 10.976 -4.006 2.783 418 HA ILE 54 HA ILE 54 10.062 -5.316 5.191 419 HB ILE 54 HB ILE 54 8.500 -3.867 4.016 420 HG12 ILE 54 2HG1 ILE 54 7.551 -6.755 3.672 421 HG13 ILE 54 1HG1 ILE 54 7.568 -5.893 5.200 422 HG21 ILE 54 1HG2 ILE 54 9.367 -4.061 1.724 423 HG22 ILE 54 2HG2 ILE 54 7.624 -4.331 1.756 424 HG23 ILE 54 3HG2 ILE 54 8.724 -5.703 1.607 425 HD11 ILE 54 1HD1 ILE 54 5.935 -5.100 2.799 426 HD12 ILE 54 2HD1 ILE 54 5.887 -4.367 4.407 427 HD13 ILE 54 3HD1 ILE 54 5.359 -6.036 4.176 428 H GLY 55 H GLY 55 9.573 -7.497 5.471 429 HA2 GLY 55 2HA GLY 55 10.828 -9.445 3.756 430 HA3 GLY 55 1HA GLY 55 9.849 -9.776 5.178 431 H MET 56 H MET 56 9.825 -10.908 2.359 432 HA MET 56 HA MET 56 7.591 -9.882 0.924 433 HB2 MET 56 2HB MET 56 8.997 -12.554 0.592 434 HB3 MET 56 1HB MET 56 7.921 -11.804 -0.585 435 HG2 MET 56 2HG MET 56 10.646 -10.792 0.287 436 HG3 MET 56 1HG MET 56 10.222 -11.475 -1.280 437 HE1 MET 56 1HE MET 56 8.776 -10.134 -3.147 438 HE2 MET 56 2HE MET 56 8.018 -8.574 -2.843 439 HE3 MET 56 3HE MET 56 7.428 -10.015 -2.013 440 H GLN 57 H GLN 57 7.775 -12.035 3.581 441 HA GLN 57 HA GLN 57 5.354 -13.518 3.137 442 HB2 GLN 57 2HB GLN 57 7.153 -14.358 4.617 443 HB3 GLN 57 1HB GLN 57 6.920 -12.986 5.698 444 HG2 GLN 57 2HG GLN 57 4.559 -13.794 6.096 445 HG3 GLN 57 1HG GLN 57 4.953 -15.237 5.165 446 HE21 GLN 57 1HE2 GLN 57 4.135 -14.903 7.965 447 HE22 GLN 57 2HE2 GLN 57 5.361 -15.686 8.899 448 H GLU 58 H GLU 58 6.173 -10.436 4.656 449 HA GLU 58 HA GLU 58 3.686 -10.046 6.082 450 HB2 GLU 58 2HB GLU 58 5.814 -7.985 5.347 451 HB3 GLU 58 1HB GLU 58 4.575 -7.822 6.589 452 HG2 GLU 58 2HG GLU 58 6.960 -9.685 6.608 453 HG3 GLU 58 1HG GLU 58 6.686 -8.291 7.649 454 H ILE 59 H ILE 59 4.870 -9.479 2.936 455 HA ILE 59 HA ILE 59 3.134 -7.391 2.088 456 HB ILE 59 HB ILE 59 4.738 -9.393 0.438 457 HG12 ILE 59 2HG1 ILE 59 5.501 -6.628 1.490 458 HG13 ILE 59 1HG1 ILE 59 6.189 -8.161 2.008 459 HG21 ILE 59 1HG2 ILE 59 3.021 -8.276 -0.887 460 HG22 ILE 59 2HG2 ILE 59 4.619 -7.701 -1.360 461 HG23 ILE 59 3HG2 ILE 59 3.582 -6.697 -0.342 462 HD11 ILE 59 1HD1 ILE 59 7.694 -6.989 0.560 463 HD12 ILE 59 2HD1 ILE 59 6.469 -6.907 -0.707 464 HD13 ILE 59 3HD1 ILE 59 7.133 -8.468 -0.217 465 H HIS 60 H HIS 60 1.022 -8.239 2.763 466 HA HIS 60 HA HIS 60 -0.162 -9.569 0.445 467 HB2 HIS 60 2HB HIS 60 0.069 -11.097 2.729 468 HB3 HIS 60 1HB HIS 60 -1.507 -10.362 3.004 469 HD1 HIS 60 HD1 HIS 60 0.214 -12.146 0.083 470 HD2 HIS 60 HD2 HIS 60 -3.520 -11.805 1.883 471 HE1 HIS 60 HE1 HIS 60 -1.298 -13.693 -1.195 472 HE2 HIS 60 HE2 HIS 60 -3.462 -13.643 0.069 473 HA PRO 61 HA PRO 61 -3.456 -6.443 0.188 474 HB2 PRO 61 2HB PRO 61 -4.975 -9.052 0.549 475 HB3 PRO 61 1HB PRO 61 -5.362 -7.681 -0.511 476 HG2 PRO 61 2HG PRO 61 -4.076 -9.865 -1.413 477 HG3 PRO 61 1HG PRO 61 -3.770 -8.241 -2.076 478 HD2 PRO 61 2HD PRO 61 -1.977 -9.943 -0.516 479 HD3 PRO 61 1HD PRO 61 -1.604 -8.420 -1.326 480 H ALA 62 H ALA 62 -3.919 -8.997 2.657 481 HA ALA 62 HA ALA 62 -5.893 -7.795 4.214 482 HB1 ALA 62 1HB ALA 62 -5.248 -10.165 4.425 483 HB2 ALA 62 2HB ALA 62 -5.217 -9.365 5.996 484 HB3 ALA 62 3HB ALA 62 -3.705 -9.689 5.140 485 H ASN 63 H ASN 63 -2.387 -7.434 4.349 486 HA ASN 63 HA ASN 63 -2.343 -5.803 6.748 487 HB2 ASN 63 2HB ASN 63 -0.130 -6.508 4.757 488 HB3 ASN 63 1HB ASN 63 0.114 -5.669 6.287 489 HD21 ASN 63 1HD2 ASN 63 1.516 -7.257 7.047 490 HD22 ASN 63 2HD2 ASN 63 0.978 -8.817 7.548 491 H PHE 64 H PHE 64 -2.490 -5.314 3.300 492 HA PHE 64 HA PHE 64 -1.889 -2.417 3.507 493 HB2 PHE 64 2HB PHE 64 -1.869 -4.331 1.117 494 HB3 PHE 64 1HB PHE 64 -1.648 -2.587 0.977 495 HD1 PHE 64 HD1 PHE 64 -0.198 -5.636 2.564 496 HD2 PHE 64 HD2 PHE 64 0.501 -1.612 1.296 497 HE1 PHE 64 HE1 PHE 64 2.181 -5.907 3.051 498 HE2 PHE 64 HE2 PHE 64 2.889 -1.893 1.798 499 HZ PHE 64 HZ PHE 64 3.718 -4.035 2.675 500 H ALA 65 H ALA 65 -4.438 -3.914 4.162 501 HA ALA 65 HA ALA 65 -6.499 -3.367 2.378 502 HB1 ALA 65 1HB ALA 65 -8.003 -3.664 4.277 503 HB2 ALA 65 2HB ALA 65 -6.645 -3.478 5.392 504 HB3 ALA 65 3HB ALA 65 -6.706 -4.861 4.297 505 H THR 66 H THR 66 -4.964 -1.231 4.692 506 HA THR 66 HA THR 66 -6.100 1.105 3.342 507 HB THR 66 HB THR 66 -6.511 2.308 5.554 508 HG1 THR 66 HG1 THR 66 -6.417 -0.322 6.665 509 HG21 THR 66 1HG2 THR 66 -8.727 1.349 6.052 510 HG22 THR 66 2HG2 THR 66 -8.317 -0.106 5.145 511 HG23 THR 66 3HG2 THR 66 -8.469 1.439 4.306 512 H VAL 67 H VAL 67 -4.877 3.113 4.098 513 HA VAL 67 HA VAL 67 -2.078 2.704 4.131 514 HB VAL 67 HB VAL 67 -3.217 4.834 3.349 515 HG11 VAL 67 1HG1 VAL 67 -3.640 6.664 4.962 516 HG12 VAL 67 2HG1 VAL 67 -3.319 5.564 6.305 517 HG13 VAL 67 3HG1 VAL 67 -4.706 5.286 5.252 518 HG21 VAL 67 1HG2 VAL 67 -0.773 4.700 3.560 519 HG22 VAL 67 2HG2 VAL 67 -0.870 5.192 5.250 520 HG23 VAL 67 3HG2 VAL 67 -1.340 6.318 3.976 521 H GLN 68 H GLN 68 -4.454 3.135 6.669 522 HA GLN 68 HA GLN 68 -2.793 3.597 8.882 523 HB2 GLN 68 2HB GLN 68 -5.251 3.900 8.925 524 HB3 GLN 68 1HB GLN 68 -5.495 2.175 8.672 525 HG2 GLN 68 2HG GLN 68 -4.440 1.745 10.905 526 HG3 GLN 68 1HG GLN 68 -4.326 3.489 11.147 527 HE21 GLN 68 1HE2 GLN 68 -6.262 4.675 11.463 528 HE22 GLN 68 2HE2 GLN 68 -7.727 3.896 11.941 529 H SER 69 H SER 69 -4.152 0.574 7.568 530 HA SER 69 HA SER 69 -2.981 -1.229 9.381 531 HB2 SER 69 2HB SER 69 -3.855 -1.748 6.503 532 HB3 SER 69 1HB SER 69 -3.671 -2.964 7.770 533 HG SER 69 HG SER 69 -5.423 -2.143 8.811 534 H MET 70 H MET 70 -1.826 0.048 6.249 535 HA MET 70 HA MET 70 0.311 -1.875 6.013 536 HB2 MET 70 2HB MET 70 0.800 -0.908 3.889 537 HB3 MET 70 1HB MET 70 -0.952 -0.887 4.045 538 HG2 MET 70 2HG MET 70 -0.893 1.499 4.554 539 HG3 MET 70 1HG MET 70 0.864 1.498 4.469 540 HE1 MET 70 1HE MET 70 -2.482 1.059 2.392 541 HE2 MET 70 2HE MET 70 -1.638 -0.455 2.064 542 HE3 MET 70 3HE MET 70 -1.839 0.739 0.782 543 H VAL 71 H VAL 71 0.062 1.552 6.999 544 HA VAL 71 HA VAL 71 2.893 2.010 7.209 545 HB VAL 71 HB VAL 71 0.535 3.525 8.446 546 HG11 VAL 71 1HG1 VAL 71 2.132 5.359 9.007 547 HG12 VAL 71 2HG1 VAL 71 3.482 4.338 8.509 548 HG13 VAL 71 3HG1 VAL 71 2.501 3.884 9.903 549 HG21 VAL 71 1HG2 VAL 71 0.688 3.679 5.993 550 HG22 VAL 71 2HG2 VAL 71 2.361 4.230 6.110 551 HG23 VAL 71 3HG2 VAL 71 1.052 5.237 6.733 552 H ALA 72 H ALA 72 0.336 1.010 9.476 553 HA ALA 72 HA ALA 72 1.880 0.982 11.830 554 HB1 ALA 72 1HB ALA 72 0.121 -0.449 12.787 555 HB2 ALA 72 2HB ALA 72 -0.560 -0.694 11.176 556 HB3 ALA 72 3HB ALA 72 -0.572 0.914 11.901 557 H LEU 73 H LEU 73 1.377 -1.422 9.275 558 HA LEU 73 HA LEU 73 2.623 -3.667 10.418 559 HB2 LEU 73 2HB LEU 73 1.339 -4.132 8.509 560 HB3 LEU 73 1HB LEU 73 1.886 -2.694 7.664 561 HG LEU 73 HG LEU 73 4.140 -3.839 7.391 562 HD11 LEU 73 1HD1 LEU 73 3.937 -5.572 9.106 563 HD12 LEU 73 2HD1 LEU 73 4.231 -6.297 7.529 564 HD13 LEU 73 3HD1 LEU 73 2.607 -6.332 8.222 565 HD21 LEU 73 1HD2 LEU 73 1.767 -5.092 5.998 566 HD22 LEU 73 2HD2 LEU 73 3.435 -5.077 5.419 567 HD23 LEU 73 3HD2 LEU 73 2.544 -3.564 5.576 568 H VAL 74 H VAL 74 3.838 -0.938 8.470 569 HA VAL 74 HA VAL 74 6.515 -1.786 8.230 570 HB VAL 74 HB VAL 74 5.420 1.066 8.240 571 HG11 VAL 74 1HG1 VAL 74 8.154 0.076 7.319 572 HG12 VAL 74 2HG1 VAL 74 7.835 1.094 8.724 573 HG13 VAL 74 3HG1 VAL 74 7.532 1.714 7.103 574 HG21 VAL 74 1HG2 VAL 74 6.085 -0.768 5.890 575 HG22 VAL 74 2HG2 VAL 74 5.531 0.903 5.764 576 HG23 VAL 74 3HG2 VAL 74 4.465 -0.331 6.433 577 H GLN 75 H GLN 75 4.854 0.131 10.732 578 HA GLN 75 HA GLN 75 7.103 0.823 12.313 579 HB2 GLN 75 2HB GLN 75 4.237 0.357 13.251 580 HB3 GLN 75 1HB GLN 75 5.477 1.245 14.134 581 HG2 GLN 75 2HG GLN 75 5.522 2.949 12.325 582 HG3 GLN 75 1HG GLN 75 4.266 2.048 11.473 583 HE21 GLN 75 1HE2 GLN 75 2.859 3.803 11.523 584 HE22 GLN 75 2HE2 GLN 75 2.061 4.324 12.962 585 H ARG 76 H ARG 76 5.222 -2.153 12.122 586 HA ARG 76 HA ARG 76 6.124 -3.481 14.481 587 HB2 ARG 76 2HB ARG 76 5.319 -4.779 11.836 588 HB3 ARG 76 1HB ARG 76 5.304 -5.539 13.424 589 HG2 ARG 76 2HG ARG 76 3.534 -3.220 12.604 590 HG3 ARG 76 1HG ARG 76 3.037 -4.907 12.574 591 HD2 ARG 76 2HD ARG 76 3.983 -3.507 15.094 592 HD3 ARG 76 1HD ARG 76 2.289 -3.552 14.598 593 HE ARG 76 HE ARG 76 2.773 -6.119 14.563 594 HH11 ARG 76 1HH1 ARG 76 3.905 -3.858 16.992 595 HH12 ARG 76 2HH1 ARG 76 3.917 -5.049 18.253 596 HH21 ARG 76 1HH2 ARG 76 2.751 -7.641 16.200 597 HH22 ARG 76 2HH2 ARG 76 3.259 -7.205 17.801 598 H LEU 77 H LEU 77 7.203 -3.728 11.062 599 HA LEU 77 HA LEU 77 9.428 -5.437 11.675 600 HB2 LEU 77 2HB LEU 77 10.001 -5.167 9.231 601 HB3 LEU 77 1HB LEU 77 8.397 -5.783 9.578 602 HG LEU 77 HG LEU 77 7.584 -3.332 9.225 603 HD11 LEU 77 1HD1 LEU 77 8.914 -1.972 7.643 604 HD12 LEU 77 2HD1 LEU 77 10.276 -3.078 7.853 605 HD13 LEU 77 3HD1 LEU 77 9.672 -2.137 9.231 606 HD21 LEU 77 1HD2 LEU 77 7.002 -5.146 7.736 607 HD22 LEU 77 2HD2 LEU 77 8.522 -4.961 6.857 608 HD23 LEU 77 3HD2 LEU 77 7.314 -3.673 6.822 609 H LYS 78 H LYS 78 9.048 -2.035 11.749 610 HA LYS 78 HA LYS 78 11.794 -1.252 11.548 611 HB2 LYS 78 2HB LYS 78 9.408 0.030 12.923 612 HB3 LYS 78 1HB LYS 78 10.990 0.785 12.869 613 HG2 LYS 78 2HG LYS 78 9.224 0.144 10.491 614 HG3 LYS 78 1HG LYS 78 9.491 1.740 11.181 615 HD2 LYS 78 2HD LYS 78 11.639 0.012 9.896 616 HD3 LYS 78 1HD LYS 78 10.790 1.329 9.090 617 HE2 LYS 78 2HE LYS 78 11.717 2.927 10.729 618 HE3 LYS 78 1HE LYS 78 12.572 1.608 11.534 619 HZ1 LYS 78 1HZ LYS 78 13.810 1.218 9.504 620 HZ2 LYS 78 2HZ LYS 78 14.003 2.818 10.011 621 HZ3 LYS 78 3HZ LYS 78 12.974 2.464 8.722 622 H ALA 79 H ALA 79 9.692 -2.344 14.162 623 HA ALA 79 HA ALA 79 11.603 -1.940 16.282 624 HB1 ALA 79 1HB ALA 79 9.171 -1.822 16.692 625 HB2 ALA 79 2HB ALA 79 9.925 -3.061 17.694 626 HB3 ALA 79 3HB ALA 79 9.003 -3.527 16.261 627 H HIS 80 H HIS 80 10.710 -4.548 14.115 628 HA HIS 80 HA HIS 80 12.293 -6.577 15.542 629 HB2 HIS 80 2HB HIS 80 10.477 -6.716 13.089 630 HB3 HIS 80 1HB HIS 80 11.432 -8.085 13.654 631 HD1 HIS 80 HD1 HIS 80 10.001 -9.657 14.893 632 HD2 HIS 80 HD2 HIS 80 8.810 -5.741 15.558 633 HE1 HIS 80 HE1 HIS 80 8.003 -9.813 16.389 634 HE2 HIS 80 HE2 HIS 80 7.398 -7.426 16.903 635 HA PRO 81 HA PRO 81 15.960 -5.999 12.874 636 HB2 PRO 81 2HB PRO 81 16.860 -8.669 12.853 637 HB3 PRO 81 1HB PRO 81 17.193 -7.509 14.155 638 HG2 PRO 81 2HG PRO 81 15.045 -9.609 14.021 639 HG3 PRO 81 1HG PRO 81 16.107 -9.174 15.383 640 HD2 PRO 81 2HD PRO 81 13.577 -8.294 15.318 641 HD3 PRO 81 1HD PRO 81 14.874 -7.222 15.892 642 H GLU 82 H GLU 82 13.742 -8.715 12.277 643 HA GLU 82 HA GLU 82 13.263 -7.837 9.559 644 HB2 GLU 82 2HB GLU 82 13.689 -10.002 8.505 645 HB3 GLU 82 1HB GLU 82 15.168 -9.453 9.285 646 HG2 GLU 82 2HG GLU 82 14.893 -11.013 11.100 647 HG3 GLU 82 1HG GLU 82 13.268 -11.440 10.574 648 H GLN 83 H GLN 83 11.310 -8.848 8.702 649 HA GLN 83 HA GLN 83 9.866 -10.740 10.444 650 HB2 GLN 83 2HB GLN 83 8.642 -8.267 9.127 651 HB3 GLN 83 1HB GLN 83 7.692 -9.602 9.763 652 HG2 GLN 83 2HG GLN 83 8.791 -9.124 12.021 653 HG3 GLN 83 1HG GLN 83 9.386 -7.629 11.307 654 HE21 GLN 83 1HE2 GLN 83 6.841 -7.299 9.699 655 HE22 GLN 83 2HE2 GLN 83 5.666 -6.770 10.842 656 H GLY 84 H GLY 84 9.988 -12.538 9.224 657 HA2 GLY 84 2HA GLY 84 9.399 -14.023 7.590 658 HA3 GLY 84 1HA GLY 84 8.420 -12.759 6.870 659 H GLY 85 H GLY 85 11.908 -12.549 7.404 660 HA2 GLY 85 2HA GLY 85 13.469 -13.419 5.687 661 HA3 GLY 85 1HA GLY 85 12.386 -12.765 4.469 662 H ALA 86 H ALA 86 15.074 -12.108 6.482 663 HA ALA 86 HA ALA 86 15.215 -9.277 6.215 664 HB1 ALA 86 1HB ALA 86 17.642 -9.553 6.643 665 HB2 ALA 86 2HB ALA 86 17.490 -11.299 6.431 666 HB3 ALA 86 3HB ALA 86 16.685 -10.502 7.784 667 H ALA 87 H ALA 87 14.689 -8.633 4.161 668 HA ALA 87 HA ALA 87 15.603 -10.104 1.805 669 HB1 ALA 87 1HB ALA 87 13.557 -7.866 2.084 670 HB2 ALA 87 2HB ALA 87 13.202 -9.594 2.051 671 HB3 ALA 87 3HB ALA 87 13.868 -8.807 0.620 672 H LEU 88 H LEU 88 17.725 -9.444 1.441 673 HA LEU 88 HA LEU 88 18.266 -6.620 0.805 674 HB2 LEU 88 2HB LEU 88 20.086 -9.073 0.777 675 HB3 LEU 88 1HB LEU 88 20.588 -7.470 0.271 676 HG LEU 88 HG LEU 88 20.023 -6.671 2.669 677 HD11 LEU 88 1HD1 LEU 88 20.036 -8.328 4.471 678 HD12 LEU 88 2HD1 LEU 88 20.037 -9.641 3.290 679 HD13 LEU 88 3HD1 LEU 88 18.651 -8.553 3.403 680 HD21 LEU 88 1HD2 LEU 88 22.180 -7.391 3.595 681 HD22 LEU 88 2HD2 LEU 88 22.335 -6.905 1.911 682 HD23 LEU 88 3HD2 LEU 88 22.332 -8.619 2.334 683 H GLU 89 H GLU 89 18.623 -5.939 -1.313 684 HA GLU 89 HA GLU 89 17.413 -7.669 -3.385 685 HB2 GLU 89 2HB GLU 89 16.974 -5.449 -4.543 686 HB3 GLU 89 1HB GLU 89 16.143 -5.672 -3.013 687 HG2 GLU 89 2HG GLU 89 17.991 -4.272 -1.942 688 HG3 GLU 89 1HG GLU 89 18.540 -3.904 -3.572 689 H282 PNS 101 3H28 PNS 136 1.078 -10.011 -5.292 690 H281 PNS 101 2H28 PNS 136 0.782 -11.699 -4.899 691 H303 PNS 101 3H51 PNS 136 1.189 -11.262 -1.778 692 H302 PNS 101 2H51 PNS 136 1.795 -12.648 -2.677 693 H301 PNS 101 1H51 PNS 136 2.918 -11.637 -1.757 694 H313 PNS 101 3H52 PNS 136 3.386 -9.265 -2.560 695 H312 PNS 101 2H52 PNS 136 1.660 -8.920 -2.572 696 H311 PNS 101 1H52 PNS 136 2.639 -8.651 -4.034 697 H32 PNS 101 H32 PNS 136 3.141 -12.168 -4.931 698 H33 PNS 101 H33 PNS 136 4.069 -9.506 -5.101 699 H36 PNS 101 H36 PNS 136 4.367 -13.383 -3.778 700 H372 PNS 101 3H37 PNS 136 6.111 -13.032 -1.690 701 H371 PNS 101 2H37 PNS 136 6.155 -14.363 -2.845 702 H382 PNS 101 3H38 PNS 136 7.592 -11.712 -3.099 703 H381 PNS 101 2H38 PNS 136 8.333 -13.277 -2.808 704 H41 PNS 101 H41 PNS 136 6.679 -11.264 -5.107 705 H422 PNS 101 3H42 PNS 136 6.239 -12.544 -7.392 706 H421 PNS 101 2H42 PNS 136 7.994 -12.382 -7.440 707 H431 PNS 101 2H43 PNS 136 5.983 -10.106 -7.213 708 H432 PNS 101 3H43 PNS 136 7.747 -9.911 -7.213 709 H44 PNS 101 H44 PNS 136 8.065 -11.023 -9.780 Start of MODEL 3 1 H1 MET 1 1H MET 1 0.107 13.648 2.184 2 H2 MET 1 2H MET 1 0.956 14.782 3.108 3 H3 MET 1 3H MET 1 1.162 13.131 3.398 4 HA MET 1 HA MET 1 1.871 14.518 0.885 5 HB2 MET 1 2HB MET 1 3.345 15.268 2.699 6 HB3 MET 1 1HB MET 1 3.653 13.605 3.183 7 HG2 MET 1 2HG MET 1 5.553 14.584 1.936 8 HG3 MET 1 1HG MET 1 4.875 13.183 1.109 9 HE1 MET 1 1HE MET 1 5.225 17.119 1.105 10 HE2 MET 1 2HE MET 1 3.470 16.936 1.180 11 HE3 MET 1 3HE MET 1 4.231 17.562 -0.282 12 H LEU 2 H LEU 2 2.373 11.647 2.910 13 HA LEU 2 HA LEU 2 3.495 9.894 1.041 14 HB2 LEU 2 2HB LEU 2 3.402 9.681 3.588 15 HB3 LEU 2 1HB LEU 2 1.732 9.180 3.419 16 HG LEU 2 HG LEU 2 2.620 7.232 1.958 17 HD11 LEU 2 1HD1 LEU 2 5.259 8.070 3.193 18 HD12 LEU 2 2HD1 LEU 2 4.831 8.110 1.479 19 HD13 LEU 2 3HD1 LEU 2 4.954 6.567 2.317 20 HD21 LEU 2 1HD2 LEU 2 3.350 7.247 4.908 21 HD22 LEU 2 2HD2 LEU 2 3.140 5.818 3.892 22 HD23 LEU 2 3HD2 LEU 2 1.765 6.868 4.225 23 H GLU 3 H GLU 3 0.196 10.707 1.780 24 HA GLU 3 HA GLU 3 -1.113 8.350 0.958 25 HB2 GLU 3 2HB GLU 3 -2.369 11.123 1.250 26 HB3 GLU 3 1HB GLU 3 -3.203 9.578 1.291 27 HG2 GLU 3 2HG GLU 3 -3.101 10.053 3.551 28 HG3 GLU 3 1HG GLU 3 -1.647 9.093 3.357 29 H SER 4 H SER 4 -0.957 11.555 -0.622 30 HA SER 4 HA SER 4 -2.582 10.876 -2.835 31 HB2 SER 4 2HB SER 4 -1.651 13.018 -3.828 32 HB3 SER 4 1HB SER 4 -2.307 13.202 -2.205 33 HG SER 4 HG SER 4 0.164 13.735 -3.069 34 H LYS 5 H LYS 5 0.910 10.623 -2.309 35 HA LYS 5 HA LYS 5 1.466 10.142 -5.122 36 HB2 LYS 5 2HB LYS 5 3.852 9.920 -4.361 37 HB3 LYS 5 1HB LYS 5 3.100 11.457 -3.960 38 HG2 LYS 5 2HG LYS 5 2.793 10.710 -1.633 39 HG3 LYS 5 1HG LYS 5 3.522 9.160 -2.028 40 HD2 LYS 5 2HD LYS 5 4.911 11.871 -2.099 41 HD3 LYS 5 1HD LYS 5 5.146 10.608 -0.890 42 HE2 LYS 5 2HE LYS 5 5.959 9.103 -2.786 43 HE3 LYS 5 1HE LYS 5 5.953 10.534 -3.817 44 HZ1 LYS 5 1HZ LYS 5 8.127 10.067 -2.894 45 HZ2 LYS 5 2HZ LYS 5 7.524 10.206 -1.323 46 HZ3 LYS 5 3HZ LYS 5 7.551 11.557 -2.343 47 H LEU 6 H LEU 6 0.865 8.108 -2.270 48 HA LEU 6 HA LEU 6 1.983 5.728 -3.463 49 HB2 LEU 6 2HB LEU 6 1.226 4.464 -1.608 50 HB3 LEU 6 1HB LEU 6 1.780 5.999 -0.995 51 HG LEU 6 HG LEU 6 -0.843 6.569 -1.044 52 HD11 LEU 6 1HD1 LEU 6 -0.863 3.557 -0.667 53 HD12 LEU 6 2HD1 LEU 6 -1.590 4.455 -2.003 54 HD13 LEU 6 3HD1 LEU 6 -2.222 4.649 -0.371 55 HD21 LEU 6 1HD2 LEU 6 -0.948 6.001 1.348 56 HD22 LEU 6 2HD2 LEU 6 0.618 6.693 0.935 57 HD23 LEU 6 3HD2 LEU 6 0.469 4.950 1.172 58 H ILE 7 H ILE 7 -1.175 7.246 -3.326 59 HA ILE 7 HA ILE 7 -2.587 5.161 -4.703 60 HB ILE 7 HB ILE 7 -3.284 8.083 -4.177 61 HG12 ILE 7 2HG1 ILE 7 -3.235 6.645 -2.165 62 HG13 ILE 7 1HG1 ILE 7 -4.890 7.120 -2.528 63 HG21 ILE 7 1HG2 ILE 7 -4.434 7.377 -6.248 64 HG22 ILE 7 2HG2 ILE 7 -5.591 7.596 -4.938 65 HG23 ILE 7 3HG2 ILE 7 -5.106 5.966 -5.421 66 HD11 ILE 7 1HD1 ILE 7 -3.639 4.452 -3.156 67 HD12 ILE 7 2HD1 ILE 7 -5.304 4.928 -3.519 68 HD13 ILE 7 3HD1 ILE 7 -4.767 4.811 -1.846 69 H ASN 8 H ASN 8 -1.445 8.400 -5.670 70 HA ASN 8 HA ASN 8 -2.112 8.510 -8.319 71 HB2 ASN 8 2HB ASN 8 -1.120 10.452 -7.321 72 HB3 ASN 8 1HB ASN 8 0.359 9.591 -6.923 73 HD21 ASN 8 1HD2 ASN 8 1.973 9.430 -8.459 74 HD22 ASN 8 2HD2 ASN 8 1.917 10.219 -9.993 75 H HIS 9 H HIS 9 0.626 6.775 -6.945 76 HA HIS 9 HA HIS 9 2.179 6.271 -9.183 77 HB2 HIS 9 2HB HIS 9 2.803 5.759 -6.810 78 HB3 HIS 9 1HB HIS 9 1.711 4.383 -6.828 79 HD1 HIS 9 HD1 HIS 9 5.149 4.932 -6.921 80 HD2 HIS 9 HD2 HIS 9 2.612 2.633 -9.279 81 HE1 HIS 9 HE1 HIS 9 6.610 3.191 -7.974 82 HE2 HIS 9 HE2 HIS 9 5.001 1.683 -9.203 83 H ILE 10 H ILE 10 -0.147 3.859 -7.809 84 HA ILE 10 HA ILE 10 -0.213 2.454 -10.357 85 HB ILE 10 HB ILE 10 -1.993 1.012 -9.033 86 HG12 ILE 10 2HG1 ILE 10 -1.372 0.871 -6.553 87 HG13 ILE 10 1HG1 ILE 10 -0.535 2.396 -6.743 88 HG21 ILE 10 1HG2 ILE 10 0.101 0.110 -9.836 89 HG22 ILE 10 2HG2 ILE 10 -0.217 -0.488 -8.207 90 HG23 ILE 10 3HG2 ILE 10 0.967 0.797 -8.460 91 HD11 ILE 10 1HD1 ILE 10 -3.483 1.922 -7.120 92 HD12 ILE 10 2HD1 ILE 10 -2.644 3.462 -7.328 93 HD13 ILE 10 3HD1 ILE 10 -2.697 2.696 -5.738 94 H ALA 11 H ALA 11 -2.318 4.667 -8.635 95 HA ALA 11 HA ALA 11 -4.771 4.277 -9.883 96 HB1 ALA 11 1HB ALA 11 -4.448 5.822 -7.981 97 HB2 ALA 11 2HB ALA 11 -5.293 6.612 -9.315 98 HB3 ALA 11 3HB ALA 11 -3.579 6.940 -9.031 99 H THR 12 H THR 12 -1.826 5.668 -11.174 100 HA THR 12 HA THR 12 -2.900 7.007 -13.437 101 HB THR 12 HB THR 12 -0.159 5.718 -13.113 102 HG1 THR 12 HG1 THR 12 -1.207 7.767 -11.859 103 HG21 THR 12 1HG2 THR 12 0.599 7.286 -14.880 104 HG22 THR 12 2HG2 THR 12 -1.059 7.844 -15.106 105 HG23 THR 12 3HG2 THR 12 -0.624 6.181 -15.505 106 H GLN 13 H GLN 13 -1.824 3.648 -12.900 107 HA GLN 13 HA GLN 13 -2.511 2.865 -15.668 108 HB2 GLN 13 2HB GLN 13 -1.357 0.716 -15.132 109 HB3 GLN 13 1HB GLN 13 -0.315 2.118 -14.925 110 HG2 GLN 13 2HG GLN 13 -0.564 2.005 -12.501 111 HG3 GLN 13 1HG GLN 13 -1.719 0.684 -12.649 112 HE21 GLN 13 1HE2 GLN 13 0.862 0.813 -11.238 113 HE22 GLN 13 2HE2 GLN 13 1.795 -0.498 -11.855 114 H PHE 14 H PHE 14 -3.937 2.895 -12.617 115 HA PHE 14 HA PHE 14 -5.606 0.496 -13.060 116 HB2 PHE 14 2HB PHE 14 -4.629 1.953 -10.596 117 HB3 PHE 14 1HB PHE 14 -6.196 1.180 -10.474 118 HD1 PHE 14 HD1 PHE 14 -5.459 -0.339 -8.726 119 HD2 PHE 14 HD2 PHE 14 -3.491 -0.309 -12.540 120 HE1 PHE 14 HE1 PHE 14 -4.413 -2.496 -8.219 121 HE2 PHE 14 HE2 PHE 14 -2.455 -2.461 -12.016 122 HZ PHE 14 HZ PHE 14 -2.918 -3.562 -9.868 123 H LEU 15 H LEU 15 -5.782 4.007 -12.708 124 HA LEU 15 HA LEU 15 -8.765 3.918 -12.861 125 HB2 LEU 15 2HB LEU 15 -7.186 5.899 -11.186 126 HB3 LEU 15 1HB LEU 15 -8.929 5.693 -11.230 127 HG LEU 15 HG LEU 15 -6.929 3.727 -10.030 128 HD11 LEU 15 1HD1 LEU 15 -7.778 4.414 -7.892 129 HD12 LEU 15 2HD1 LEU 15 -8.911 5.546 -8.626 130 HD13 LEU 15 3HD1 LEU 15 -7.171 5.813 -8.759 131 HD21 LEU 15 1HD2 LEU 15 -8.884 2.517 -10.907 132 HD22 LEU 15 2HD2 LEU 15 -9.982 3.584 -10.024 133 HD23 LEU 15 3HD2 LEU 15 -8.884 2.512 -9.146 134 H ASP 16 H ASP 16 -6.141 4.808 -14.553 135 HA ASP 16 HA ASP 16 -5.701 6.198 -16.288 136 HB2 ASP 16 2HB ASP 16 -8.281 5.856 -16.683 137 HB3 ASP 16 1HB ASP 16 -8.458 7.469 -16.040 138 H GLY 17 H GLY 17 -5.121 6.912 -13.567 139 HA2 GLY 17 2HA GLY 17 -3.969 8.610 -12.535 140 HA3 GLY 17 1HA GLY 17 -4.273 9.639 -13.918 141 H GLU 18 H GLU 18 -7.010 8.179 -12.381 142 HA GLU 18 HA GLU 18 -7.763 10.775 -11.165 143 HB2 GLU 18 2HB GLU 18 -9.950 10.425 -11.843 144 HB3 GLU 18 1HB GLU 18 -9.177 9.427 -13.077 145 HG2 GLU 18 2HG GLU 18 -9.621 7.416 -11.668 146 HG3 GLU 18 1HG GLU 18 -10.469 8.436 -10.507 147 H LYS 19 H LYS 19 -8.510 10.783 -8.988 148 HA LYS 19 HA LYS 19 -8.182 8.267 -7.449 149 HB2 LYS 19 2HB LYS 19 -8.517 11.099 -6.389 150 HB3 LYS 19 1HB LYS 19 -8.248 9.646 -5.427 151 HG2 LYS 19 2HG LYS 19 -6.032 9.468 -6.905 152 HG3 LYS 19 1HG LYS 19 -6.297 11.205 -7.107 153 HD2 LYS 19 2HD LYS 19 -5.970 9.690 -4.485 154 HD3 LYS 19 1HD LYS 19 -4.808 10.810 -5.196 155 HE2 LYS 19 2HE LYS 19 -6.340 12.686 -4.824 156 HE3 LYS 19 1HE LYS 19 -7.589 11.589 -4.237 157 HZ1 LYS 19 1HZ LYS 19 -6.524 12.639 -2.413 158 HZ2 LYS 19 2HZ LYS 19 -4.989 12.167 -2.941 159 HZ3 LYS 19 3HZ LYS 19 -6.090 11.002 -2.401 160 H ASP 20 H ASP 20 -10.024 7.182 -7.670 161 HA ASP 20 HA ASP 20 -12.420 8.152 -6.406 162 HB2 ASP 20 2HB ASP 20 -12.763 9.141 -8.638 163 HB3 ASP 20 1HB ASP 20 -12.508 7.573 -9.402 164 H GLY 21 H GLY 21 -12.992 6.506 -5.214 165 HA2 GLY 21 2HA GLY 21 -13.680 4.346 -4.664 166 HA3 GLY 21 1HA GLY 21 -13.054 3.744 -6.193 167 H LEU 22 H LEU 22 -10.460 5.128 -5.769 168 HA LEU 22 HA LEU 22 -9.236 3.355 -3.743 169 HB2 LEU 22 2HB LEU 22 -8.799 2.866 -6.241 170 HB3 LEU 22 1HB LEU 22 -7.931 4.369 -6.282 171 HG LEU 22 HG LEU 22 -6.284 3.480 -4.642 172 HD11 LEU 22 1HD1 LEU 22 -7.740 1.880 -3.461 173 HD12 LEU 22 2HD1 LEU 22 -6.263 1.112 -4.032 174 HD13 LEU 22 3HD1 LEU 22 -7.782 0.849 -4.894 175 HD21 LEU 22 1HD2 LEU 22 -6.674 1.758 -7.116 176 HD22 LEU 22 2HD2 LEU 22 -5.185 1.893 -6.180 177 HD23 LEU 22 3HD2 LEU 22 -5.813 3.300 -7.032 178 H ASP 23 H ASP 23 -8.806 4.662 -2.092 179 HA ASP 23 HA ASP 23 -6.850 6.780 -2.450 180 HB2 ASP 23 2HB ASP 23 -9.058 7.985 -2.443 181 HB3 ASP 23 1HB ASP 23 -9.423 7.273 -0.880 182 H SER 24 H SER 24 -5.759 7.250 -0.429 183 HA SER 24 HA SER 24 -4.864 4.960 0.856 184 HB2 SER 24 2HB SER 24 -4.645 7.843 1.794 185 HB3 SER 24 1HB SER 24 -3.557 6.518 2.212 186 HG SER 24 HG SER 24 -2.719 6.548 0.236 187 H GLN 25 H GLN 25 -7.200 7.419 1.992 188 HA GLN 25 HA GLN 25 -7.617 6.038 4.530 189 HB2 GLN 25 2HB GLN 25 -8.939 8.531 3.403 190 HB3 GLN 25 1HB GLN 25 -9.120 7.924 5.050 191 HG2 GLN 25 2HG GLN 25 -6.622 8.209 5.340 192 HG3 GLN 25 1HG GLN 25 -6.591 9.018 3.772 193 HE21 GLN 25 1HE2 GLN 25 -5.874 10.068 6.380 194 HE22 GLN 25 2HE2 GLN 25 -6.884 11.446 6.643 195 H THR 26 H THR 26 -9.042 6.119 1.386 196 HA THR 26 HA THR 26 -11.601 5.029 2.009 197 HB THR 26 HB THR 26 -9.912 4.916 -0.530 198 HG1 THR 26 HG1 THR 26 -11.241 6.607 -1.181 199 HG21 THR 26 1HG2 THR 26 -11.525 3.075 -0.588 200 HG22 THR 26 2HG2 THR 26 -11.995 4.342 -1.727 201 HG23 THR 26 3HG2 THR 26 -12.833 4.184 -0.175 202 HA PRO 27 HA PRO 27 -10.206 0.873 3.154 203 HB2 PRO 27 2HB PRO 27 -12.568 -0.501 2.804 204 HB3 PRO 27 1HB PRO 27 -12.278 0.578 4.183 205 HG2 PRO 27 2HG PRO 27 -13.764 1.158 1.631 206 HG3 PRO 27 1HG PRO 27 -14.226 1.540 3.303 207 HD2 PRO 27 2HD PRO 27 -13.130 3.402 1.691 208 HD3 PRO 27 1HD PRO 27 -12.772 3.371 3.427 209 H LEU 28 H LEU 28 -8.790 0.012 1.691 210 HA LEU 28 HA LEU 28 -9.392 -0.317 -1.103 211 HB2 LEU 28 2HB LEU 28 -7.072 -1.635 0.365 212 HB3 LEU 28 1HB LEU 28 -7.160 -1.184 -1.333 213 HG LEU 28 HG LEU 28 -6.795 0.667 1.058 214 HD11 LEU 28 1HD1 LEU 28 -4.669 1.261 0.017 215 HD12 LEU 28 2HD1 LEU 28 -4.976 0.130 -1.305 216 HD13 LEU 28 3HD1 LEU 28 -4.764 -0.468 0.342 217 HD21 LEU 28 1HD2 LEU 28 -7.244 1.495 -1.822 218 HD22 LEU 28 2HD2 LEU 28 -6.727 2.566 -0.522 219 HD23 LEU 28 3HD2 LEU 28 -8.312 1.806 -0.454 220 H PHE 29 H PHE 29 -9.742 -2.191 1.741 221 HA PHE 29 HA PHE 29 -9.865 -4.790 0.524 222 HB2 PHE 29 2HB PHE 29 -9.498 -3.752 3.180 223 HB3 PHE 29 1HB PHE 29 -10.984 -4.685 3.255 224 HD1 PHE 29 HD1 PHE 29 -7.600 -4.962 1.726 225 HD2 PHE 29 HD2 PHE 29 -10.688 -6.939 3.926 226 HE1 PHE 29 HE1 PHE 29 -6.241 -6.965 1.855 227 HE2 PHE 29 HE2 PHE 29 -9.302 -8.968 4.048 228 HZ PHE 29 HZ PHE 29 -7.071 -8.992 2.997 229 H GLU 30 H GLU 30 -12.181 -2.650 2.155 230 HA GLU 30 HA GLU 30 -14.457 -4.278 1.923 231 HB2 GLU 30 2HB GLU 30 -14.255 -2.449 3.553 232 HB3 GLU 30 1HB GLU 30 -14.238 -1.266 2.258 233 HG2 GLU 30 2HG GLU 30 -16.407 -1.296 3.375 234 HG3 GLU 30 1HG GLU 30 -16.568 -1.820 1.699 235 H LEU 31 H LEU 31 -13.073 -1.893 -0.262 236 HA LEU 31 HA LEU 31 -15.350 -2.131 -2.124 237 HB2 LEU 31 2HB LEU 31 -12.920 -0.327 -2.371 238 HB3 LEU 31 1HB LEU 31 -14.405 -0.247 -3.307 239 HG LEU 31 HG LEU 31 -14.009 0.508 -0.388 240 HD11 LEU 31 1HD1 LEU 31 -13.331 2.196 -2.015 241 HD12 LEU 31 2HD1 LEU 31 -14.732 2.722 -1.084 242 HD13 LEU 31 3HD1 LEU 31 -14.939 2.164 -2.749 243 HD21 LEU 31 1HD2 LEU 31 -16.427 1.052 -0.276 244 HD22 LEU 31 2HD2 LEU 31 -16.147 -0.672 -0.492 245 HD23 LEU 31 3HD2 LEU 31 -16.670 0.311 -1.863 246 H ASN 32 H ASN 32 -12.095 -3.246 -1.662 247 HA ASN 32 HA ASN 32 -10.804 -4.786 -2.695 248 HB2 ASN 32 2HB ASN 32 -13.032 -6.034 -2.610 249 HB3 ASN 32 1HB ASN 32 -13.321 -5.532 -4.265 250 HD21 ASN 32 1HD2 ASN 32 -12.233 -6.595 -5.930 251 HD22 ASN 32 2HD2 ASN 32 -11.309 -8.031 -5.675 252 H ILE 33 H ILE 33 -10.721 -2.150 -3.736 253 HA ILE 33 HA ILE 33 -11.064 -2.073 -6.599 254 HB ILE 33 HB ILE 33 -9.528 -0.131 -4.826 255 HG12 ILE 33 2HG1 ILE 33 -11.918 -0.373 -4.140 256 HG13 ILE 33 1HG1 ILE 33 -11.572 1.230 -4.767 257 HG21 ILE 33 1HG2 ILE 33 -9.894 1.520 -6.674 258 HG22 ILE 33 2HG2 ILE 33 -10.594 0.236 -7.661 259 HG23 ILE 33 3HG2 ILE 33 -8.897 0.154 -7.185 260 HD11 ILE 33 1HD1 ILE 33 -12.970 -0.986 -6.250 261 HD12 ILE 33 2HD1 ILE 33 -12.611 0.619 -6.893 262 HD13 ILE 33 3HD1 ILE 33 -13.714 0.444 -5.531 263 H VAL 34 H VAL 34 -8.182 -2.056 -4.500 264 HA VAL 34 HA VAL 34 -6.376 -2.283 -6.760 265 HB VAL 34 HB VAL 34 -5.752 -0.862 -4.847 266 HG11 VAL 34 1HG1 VAL 34 -5.511 -3.407 -3.191 267 HG12 VAL 34 2HG1 VAL 34 -6.747 -2.161 -2.988 268 HG13 VAL 34 3HG1 VAL 34 -5.053 -1.782 -2.669 269 HG21 VAL 34 1HG2 VAL 34 -3.948 -1.742 -6.247 270 HG22 VAL 34 2HG2 VAL 34 -3.821 -3.177 -5.230 271 HG23 VAL 34 3HG2 VAL 34 -3.401 -1.593 -4.574 272 H ASP 35 H ASP 35 -5.256 -4.108 -7.386 273 HA ASP 35 HA ASP 35 -6.213 -6.697 -6.482 274 HB2 ASP 35 2HB ASP 35 -5.888 -6.292 -8.879 275 HB3 ASP 35 1HB ASP 35 -4.193 -5.932 -8.628 276 H SER 36 H SER 36 -4.626 -8.442 -6.102 277 HA SER 36 HA SER 36 -3.082 -7.700 -3.795 278 HB2 SER 36 2HB SER 36 -3.230 -9.896 -3.142 279 HB3 SER 36 1HB SER 36 -4.589 -9.878 -4.266 280 H ALA 37 H ALA 37 -2.364 -8.372 -7.133 281 HA ALA 37 HA ALA 37 0.484 -8.817 -6.802 282 HB1 ALA 37 1HB ALA 37 0.623 -8.607 -9.258 283 HB2 ALA 37 2HB ALA 37 -1.056 -8.059 -9.324 284 HB3 ALA 37 3HB ALA 37 -0.683 -9.699 -8.792 285 H ALA 38 H ALA 38 -1.619 -6.036 -7.096 286 HA ALA 38 HA ALA 38 0.429 -4.085 -7.702 287 HB1 ALA 38 1HB ALA 38 -2.385 -3.689 -6.654 288 HB2 ALA 38 2HB ALA 38 -1.920 -3.711 -8.349 289 HB3 ALA 38 3HB ALA 38 -1.339 -2.421 -7.297 290 H ILE 39 H ILE 39 -0.740 -5.655 -4.837 291 HA ILE 39 HA ILE 39 0.062 -3.930 -2.786 292 HB ILE 39 HB ILE 39 0.239 -6.980 -2.893 293 HG12 ILE 39 2HG1 ILE 39 -2.054 -6.161 -3.212 294 HG13 ILE 39 1HG1 ILE 39 -1.914 -6.954 -1.649 295 HG21 ILE 39 1HG2 ILE 39 0.447 -5.190 -0.442 296 HG22 ILE 39 2HG2 ILE 39 1.718 -6.219 -1.107 297 HG23 ILE 39 3HG2 ILE 39 0.276 -6.947 -0.394 298 HD11 ILE 39 1HD1 ILE 39 -3.295 -4.958 -1.577 299 HD12 ILE 39 2HD1 ILE 39 -1.928 -3.972 -2.097 300 HD13 ILE 39 3HD1 ILE 39 -1.879 -4.810 -0.540 301 H PHE 40 H PHE 40 1.918 -6.248 -4.737 302 HA PHE 40 HA PHE 40 4.423 -6.000 -3.422 303 HB2 PHE 40 2HB PHE 40 3.676 -7.912 -4.915 304 HB3 PHE 40 1HB PHE 40 3.889 -6.861 -6.306 305 HD1 PHE 40 HD1 PHE 40 5.679 -8.607 -3.539 306 HD2 PHE 40 HD2 PHE 40 6.111 -6.501 -7.252 307 HE1 PHE 40 HE1 PHE 40 8.040 -9.292 -3.664 308 HE2 PHE 40 HE2 PHE 40 8.470 -7.194 -7.360 309 HZ PHE 40 HZ PHE 40 9.435 -8.591 -5.571 310 H ASP 41 H ASP 41 2.819 -3.999 -5.793 311 HA ASP 41 HA ASP 41 5.154 -2.468 -6.568 312 HB2 ASP 41 2HB ASP 41 3.259 -2.659 -8.125 313 HB3 ASP 41 1HB ASP 41 2.176 -1.931 -6.946 314 H LEU 42 H LEU 42 2.332 -1.968 -4.433 315 HA LEU 42 HA LEU 42 3.008 0.552 -3.364 316 HB2 LEU 42 2HB LEU 42 1.403 -1.719 -2.131 317 HB3 LEU 42 1HB LEU 42 1.434 -0.080 -1.501 318 HG LEU 42 HG LEU 42 0.340 -0.900 -4.225 319 HD11 LEU 42 1HD1 LEU 42 -1.086 -1.710 -2.409 320 HD12 LEU 42 2HD1 LEU 42 -1.879 -0.432 -3.324 321 HD13 LEU 42 3HD1 LEU 42 -1.189 -0.077 -1.737 322 HD21 LEU 42 1HD2 LEU 42 1.241 1.366 -4.323 323 HD22 LEU 42 2HD2 LEU 42 0.324 1.832 -2.889 324 HD23 LEU 42 3HD2 LEU 42 -0.520 1.413 -4.381 325 H VAL 43 H VAL 43 4.105 -2.658 -2.613 326 HA VAL 43 HA VAL 43 5.496 -2.336 -0.203 327 HB VAL 43 HB VAL 43 5.869 -4.120 -2.636 328 HG11 VAL 43 1HG1 VAL 43 7.593 -4.328 -0.158 329 HG12 VAL 43 2HG1 VAL 43 8.157 -3.841 -1.751 330 HG13 VAL 43 3HG1 VAL 43 7.562 -5.481 -1.487 331 HG21 VAL 43 1HG2 VAL 43 3.950 -4.506 -1.122 332 HG22 VAL 43 2HG2 VAL 43 5.069 -4.785 0.211 333 HG23 VAL 43 3HG2 VAL 43 5.054 -5.876 -1.176 334 H ASP 44 H ASP 44 6.666 -2.006 -3.575 335 HA ASP 44 HA ASP 44 9.297 -1.223 -3.118 336 HB2 ASP 44 2HB ASP 44 8.353 -1.760 -5.363 337 HB3 ASP 44 1HB ASP 44 7.450 -0.264 -5.344 338 H PHE 45 H PHE 45 6.328 0.640 -3.223 339 HA PHE 45 HA PHE 45 7.458 3.187 -3.112 340 HB2 PHE 45 2HB PHE 45 5.146 2.855 -3.857 341 HB3 PHE 45 1HB PHE 45 4.690 2.219 -2.280 342 HD1 PHE 45 HD1 PHE 45 5.621 5.286 -4.144 343 HD2 PHE 45 HD2 PHE 45 4.259 3.726 -0.388 344 HE1 PHE 45 HE1 PHE 45 5.127 7.555 -3.353 345 HE2 PHE 45 HE2 PHE 45 3.781 5.994 0.369 346 HZ PHE 45 HZ PHE 45 4.213 7.903 -1.100 347 H LEU 46 H LEU 46 5.949 1.214 -0.484 348 HA LEU 46 HA LEU 46 6.327 3.075 1.594 349 HB2 LEU 46 2HB LEU 46 6.004 0.056 1.762 350 HB3 LEU 46 1HB LEU 46 5.960 1.119 3.162 351 HG LEU 46 HG LEU 46 3.943 1.007 0.883 352 HD11 LEU 46 1HD1 LEU 46 3.725 -0.797 2.515 353 HD12 LEU 46 2HD1 LEU 46 2.363 0.315 2.608 354 HD13 LEU 46 3HD1 LEU 46 3.633 0.378 3.835 355 HD21 LEU 46 1HD2 LEU 46 3.971 2.953 3.228 356 HD22 LEU 46 2HD2 LEU 46 2.657 2.753 2.066 357 HD23 LEU 46 3HD2 LEU 46 4.217 3.363 1.528 358 H ARG 47 H ARG 47 8.406 0.401 0.528 359 HA ARG 47 HA ARG 47 10.276 0.602 2.685 360 HB2 ARG 47 2HB ARG 47 11.624 -1.006 1.477 361 HB3 ARG 47 1HB ARG 47 9.936 -1.482 1.333 362 HG2 ARG 47 2HG ARG 47 9.885 -0.482 -0.944 363 HG3 ARG 47 1HG ARG 47 11.601 -0.112 -0.802 364 HD2 ARG 47 2HD ARG 47 12.073 -2.535 -0.571 365 HD3 ARG 47 1HD ARG 47 10.346 -2.877 -0.751 366 HE ARG 47 HE ARG 47 11.380 -1.325 -2.927 367 HH11 ARG 47 1HH1 ARG 47 11.143 -4.621 -1.745 368 HH12 ARG 47 2HH1 ARG 47 11.287 -5.319 -3.321 369 HH21 ARG 47 1HH2 ARG 47 11.555 -2.261 -4.988 370 HH22 ARG 47 2HH2 ARG 47 11.521 -3.986 -5.155 371 H GLN 48 H GLN 48 9.979 2.106 -0.486 372 HA GLN 48 HA GLN 48 12.520 3.342 -0.701 373 HB2 GLN 48 2HB GLN 48 10.964 3.165 -2.624 374 HB3 GLN 48 1HB GLN 48 9.809 4.205 -1.802 375 HG2 GLN 48 2HG GLN 48 11.611 6.032 -1.861 376 HG3 GLN 48 1HG GLN 48 12.496 4.983 -2.963 377 HE21 GLN 48 1HE2 GLN 48 8.967 5.394 -2.906 378 HE22 GLN 48 2HE2 GLN 48 8.863 6.146 -4.457 379 H GLU 49 H GLU 49 9.393 4.439 0.582 380 HA GLU 49 HA GLU 49 10.129 7.128 1.144 381 HB2 GLU 49 2HB GLU 49 7.808 5.437 2.175 382 HB3 GLU 49 1HB GLU 49 7.935 7.184 2.379 383 HG2 GLU 49 2HG GLU 49 7.784 5.748 -0.289 384 HG3 GLU 49 1HG GLU 49 6.430 6.527 0.521 385 H SER 50 H SER 50 9.580 4.314 3.253 386 HA SER 50 HA SER 50 10.447 5.632 5.659 387 HB2 SER 50 2HB SER 50 8.739 3.747 5.541 388 HB3 SER 50 1HB SER 50 10.068 2.641 5.201 389 HG SER 50 HG SER 50 10.942 3.635 7.290 390 H LYS 51 H LYS 51 12.155 4.373 3.037 391 HA LYS 51 HA LYS 51 14.306 3.951 2.539 392 HB2 LYS 51 2HB LYS 51 14.885 5.235 5.250 393 HB3 LYS 51 1HB LYS 51 16.085 4.955 3.994 394 HG2 LYS 51 2HG LYS 51 13.676 6.795 3.755 395 HG3 LYS 51 1HG LYS 51 15.327 7.314 4.068 396 HD2 LYS 51 2HD LYS 51 14.544 5.792 1.552 397 HD3 LYS 51 1HD LYS 51 14.465 7.546 1.657 398 HE2 LYS 51 2HE LYS 51 16.526 6.909 0.558 399 HE3 LYS 51 1HE LYS 51 16.912 7.605 2.126 400 HZ1 LYS 51 1HZ LYS 51 16.793 4.697 1.576 401 HZ2 LYS 51 2HZ LYS 51 17.354 5.439 2.982 402 HZ3 LYS 51 3HZ LYS 51 18.209 5.615 1.539 403 H VAL 52 H VAL 52 12.701 1.956 3.899 404 HA VAL 52 HA VAL 52 14.689 0.311 5.350 405 HB VAL 52 HB VAL 52 12.777 -0.837 6.391 406 HG11 VAL 52 1HG1 VAL 52 12.595 2.172 6.714 407 HG12 VAL 52 2HG1 VAL 52 13.671 1.085 7.592 408 HG13 VAL 52 3HG1 VAL 52 11.930 0.989 7.841 409 HG21 VAL 52 1HG2 VAL 52 11.087 -0.660 4.606 410 HG22 VAL 52 2HG2 VAL 52 10.961 1.079 4.872 411 HG23 VAL 52 3HG2 VAL 52 10.429 -0.045 6.124 412 H SER 53 H SER 53 14.233 -2.059 5.106 413 HA SER 53 HA SER 53 13.225 -2.869 2.438 414 HB2 SER 53 2HB SER 53 14.970 -4.427 4.421 415 HB3 SER 53 1HB SER 53 14.477 -4.978 2.817 416 HG SER 53 HG SER 53 15.908 -2.567 3.200 417 H ILE 54 H ILE 54 11.680 -4.530 2.353 418 HA ILE 54 HA ILE 54 10.351 -5.384 4.849 419 HB ILE 54 HB ILE 54 8.871 -3.700 3.979 420 HG12 ILE 54 2HG1 ILE 54 7.786 -6.416 3.093 421 HG13 ILE 54 1HG1 ILE 54 7.707 -5.768 4.723 422 HG21 ILE 54 1HG2 ILE 54 9.810 -3.508 1.711 423 HG22 ILE 54 2HG2 ILE 54 8.049 -3.608 1.678 424 HG23 ILE 54 3HG2 ILE 54 9.017 -5.023 1.260 425 HD11 ILE 54 1HD1 ILE 54 5.581 -5.603 3.643 426 HD12 ILE 54 2HD1 ILE 54 6.277 -4.709 2.294 427 HD13 ILE 54 3HD1 ILE 54 6.223 -3.981 3.903 428 H GLY 55 H GLY 55 9.699 -7.525 4.874 429 HA2 GLY 55 2HA GLY 55 10.838 -9.302 2.865 430 HA3 GLY 55 1HA GLY 55 10.093 -9.773 4.380 431 H MET 56 H MET 56 9.726 -10.915 1.783 432 HA MET 56 HA MET 56 7.299 -10.444 0.542 433 HB2 MET 56 2HB MET 56 8.835 -12.015 -0.380 434 HB3 MET 56 1HB MET 56 8.924 -12.926 1.117 435 HG2 MET 56 2HG MET 56 7.671 -14.351 -0.112 436 HG3 MET 56 1HG MET 56 6.383 -13.404 0.602 437 HE1 MET 56 1HE MET 56 5.936 -10.793 -1.192 438 HE2 MET 56 2HE MET 56 4.656 -11.947 -0.822 439 HE3 MET 56 3HE MET 56 4.929 -11.438 -2.495 440 H GLN 57 H GLN 57 7.988 -11.903 3.610 441 HA GLN 57 HA GLN 57 5.561 -13.234 4.176 442 HB2 GLN 57 2HB GLN 57 7.627 -12.082 6.115 443 HB3 GLN 57 1HB GLN 57 6.398 -13.269 6.524 444 HG2 GLN 57 2HG GLN 57 8.408 -14.503 6.334 445 HG3 GLN 57 1HG GLN 57 7.542 -14.834 4.837 446 HE21 GLN 57 1HE2 GLN 57 10.268 -13.087 6.243 447 HE22 GLN 57 2HE2 GLN 57 11.134 -12.862 4.766 448 H GLU 58 H GLU 58 6.700 -9.923 4.698 449 HA GLU 58 HA GLU 58 4.423 -9.103 6.321 450 HB2 GLU 58 2HB GLU 58 6.726 -7.496 5.150 451 HB3 GLU 58 1HB GLU 58 5.583 -6.916 6.353 452 HG2 GLU 58 2HG GLU 58 7.539 -9.193 6.768 453 HG3 GLU 58 1HG GLU 58 7.785 -7.530 7.305 454 H ILE 59 H ILE 59 5.445 -9.077 2.987 455 HA ILE 59 HA ILE 59 3.621 -7.176 1.923 456 HB ILE 59 HB ILE 59 4.796 -9.639 0.564 457 HG12 ILE 59 2HG1 ILE 59 5.837 -6.775 0.653 458 HG13 ILE 59 1HG1 ILE 59 6.572 -8.169 1.424 459 HG21 ILE 59 1HG2 ILE 59 4.361 -8.432 -1.581 460 HG22 ILE 59 2HG2 ILE 59 3.502 -7.179 -0.679 461 HG23 ILE 59 3HG2 ILE 59 2.884 -8.828 -0.707 462 HD11 ILE 59 1HD1 ILE 59 6.325 -7.688 -1.538 463 HD12 ILE 59 2HD1 ILE 59 7.018 -9.135 -0.796 464 HD13 ILE 59 3HD1 ILE 59 7.787 -7.566 -0.558 465 H HIS 60 H HIS 60 1.610 -7.458 2.812 466 HA HIS 60 HA HIS 60 -0.004 -9.739 1.919 467 HB2 HIS 60 2HB HIS 60 0.750 -9.184 4.729 468 HB3 HIS 60 1HB HIS 60 -0.998 -9.160 4.536 469 HD1 HIS 60 HD1 HIS 60 1.945 -11.468 4.462 470 HD2 HIS 60 HD2 HIS 60 -2.177 -11.586 3.868 471 HE1 HIS 60 HE1 HIS 60 1.343 -13.905 4.435 472 HE2 HIS 60 HE2 HIS 60 -1.124 -13.963 3.906 473 HA PRO 61 HA PRO 61 -2.709 -6.331 0.878 474 HB2 PRO 61 2HB PRO 61 -5.064 -7.658 0.410 475 HB3 PRO 61 1HB PRO 61 -3.682 -7.781 -0.703 476 HG2 PRO 61 2HG PRO 61 -4.543 -9.708 1.436 477 HG3 PRO 61 1HG PRO 61 -4.034 -10.041 -0.235 478 HD2 PRO 61 2HD PRO 61 -2.335 -10.325 1.889 479 HD3 PRO 61 1HD PRO 61 -1.765 -9.844 0.277 480 H ALA 62 H ALA 62 -3.484 -8.649 3.416 481 HA ALA 62 HA ALA 62 -5.524 -7.321 4.783 482 HB1 ALA 62 1HB ALA 62 -4.927 -9.652 5.245 483 HB2 ALA 62 2HB ALA 62 -4.883 -8.696 6.729 484 HB3 ALA 62 3HB ALA 62 -3.379 -9.135 5.914 485 H ASN 63 H ASN 63 -2.038 -6.985 4.843 486 HA ASN 63 HA ASN 63 -1.963 -5.052 7.007 487 HB2 ASN 63 2HB ASN 63 0.223 -6.057 5.114 488 HB3 ASN 63 1HB ASN 63 0.498 -4.998 6.496 489 HD21 ASN 63 1HD2 ASN 63 1.848 -6.469 7.562 490 HD22 ASN 63 2HD2 ASN 63 1.269 -7.938 8.254 491 H PHE 64 H PHE 64 -2.057 -5.030 3.506 492 HA PHE 64 HA PHE 64 -1.626 -2.113 3.359 493 HB2 PHE 64 2HB PHE 64 -1.792 -4.312 1.250 494 HB3 PHE 64 1HB PHE 64 -1.833 -2.606 0.820 495 HD1 PHE 64 HD1 PHE 64 0.273 -5.083 2.683 496 HD2 PHE 64 HD2 PHE 64 0.193 -1.520 0.339 497 HE1 PHE 64 HE1 PHE 64 2.710 -5.130 2.548 498 HE2 PHE 64 HE2 PHE 64 2.643 -1.560 0.232 499 HZ PHE 64 HZ PHE 64 3.903 -3.365 1.323 500 H ALA 65 H ALA 65 -4.084 -3.564 4.483 501 HA ALA 65 HA ALA 65 -6.318 -3.434 2.796 502 HB1 ALA 65 1HB ALA 65 -6.280 -4.623 4.949 503 HB2 ALA 65 2HB ALA 65 -7.648 -3.512 4.865 504 HB3 ALA 65 3HB ALA 65 -6.220 -3.087 5.816 505 H THR 66 H THR 66 -4.804 -0.980 4.837 506 HA THR 66 HA THR 66 -6.187 1.234 3.509 507 HB THR 66 HB THR 66 -6.518 2.411 5.766 508 HG1 THR 66 HG1 THR 66 -6.829 0.463 7.434 509 HG21 THR 66 1HG2 THR 66 -8.223 -0.077 5.370 510 HG22 THR 66 2HG2 THR 66 -8.491 1.492 4.607 511 HG23 THR 66 3HG2 THR 66 -8.651 1.320 6.356 512 H VAL 67 H VAL 67 -5.118 3.384 4.298 513 HA VAL 67 HA VAL 67 -2.288 3.281 4.083 514 HB VAL 67 HB VAL 67 -3.601 5.297 3.460 515 HG11 VAL 67 1HG1 VAL 67 -4.333 6.961 5.148 516 HG12 VAL 67 2HG1 VAL 67 -3.943 5.818 6.436 517 HG13 VAL 67 3HG1 VAL 67 -5.223 5.442 5.282 518 HG21 VAL 67 1HG2 VAL 67 -1.407 5.878 5.481 519 HG22 VAL 67 2HG2 VAL 67 -1.992 7.003 4.252 520 HG23 VAL 67 3HG2 VAL 67 -1.179 5.514 3.768 521 H GLN 68 H GLN 68 -4.446 3.581 6.870 522 HA GLN 68 HA GLN 68 -2.488 4.089 8.847 523 HB2 GLN 68 2HB GLN 68 -4.873 4.614 9.179 524 HB3 GLN 68 1HB GLN 68 -5.291 2.912 9.066 525 HG2 GLN 68 2HG GLN 68 -5.352 3.698 11.388 526 HG3 GLN 68 1HG GLN 68 -4.108 2.463 11.178 527 HE21 GLN 68 1HE2 GLN 68 -1.927 3.043 11.448 528 HE22 GLN 68 2HE2 GLN 68 -1.442 4.568 12.101 529 H SER 69 H SER 69 -3.968 1.112 7.601 530 HA SER 69 HA SER 69 -2.743 -0.673 9.436 531 HB2 SER 69 2HB SER 69 -4.799 -1.213 8.095 532 HB3 SER 69 1HB SER 69 -3.797 -1.304 6.646 533 HG SER 69 HG SER 69 -2.616 -2.994 7.723 534 H MET 70 H MET 70 -1.726 0.636 6.262 535 HA MET 70 HA MET 70 0.392 -1.328 5.931 536 HB2 MET 70 2HB MET 70 0.822 -0.381 3.778 537 HB3 MET 70 1HB MET 70 -0.924 -0.382 3.980 538 HG2 MET 70 2HG MET 70 -0.881 2.022 4.458 539 HG3 MET 70 1HG MET 70 0.875 2.034 4.308 540 HE1 MET 70 1HE MET 70 -2.531 1.445 2.408 541 HE2 MET 70 2HE MET 70 -1.650 -0.031 2.013 542 HE3 MET 70 3HE MET 70 -1.976 1.166 0.757 543 H VAL 71 H VAL 71 0.175 2.073 6.927 544 HA VAL 71 HA VAL 71 2.969 2.544 7.254 545 HB VAL 71 HB VAL 71 0.589 3.797 8.714 546 HG11 VAL 71 1HG1 VAL 71 3.500 4.716 8.775 547 HG12 VAL 71 2HG1 VAL 71 2.598 4.052 10.137 548 HG13 VAL 71 3HG1 VAL 71 2.137 5.610 9.453 549 HG21 VAL 71 1HG2 VAL 71 0.639 4.250 6.287 550 HG22 VAL 71 2HG2 VAL 71 2.283 4.870 6.426 551 HG23 VAL 71 3HG2 VAL 71 0.952 5.724 7.207 552 H ALA 72 H ALA 72 0.420 1.296 9.395 553 HA ALA 72 HA ALA 72 1.978 0.997 11.726 554 HB1 ALA 72 1HB ALA 72 -0.466 1.061 11.818 555 HB2 ALA 72 2HB ALA 72 0.131 -0.428 12.553 556 HB3 ALA 72 3HB ALA 72 -0.561 -0.461 10.928 557 H LEU 73 H LEU 73 1.378 -1.100 8.976 558 HA LEU 73 HA LEU 73 2.435 -3.558 9.822 559 HB2 LEU 73 2HB LEU 73 1.465 -3.935 7.772 560 HB3 LEU 73 1HB LEU 73 1.632 -2.259 7.304 561 HG LEU 73 HG LEU 73 4.101 -2.866 6.716 562 HD11 LEU 73 1HD1 LEU 73 2.966 -5.673 6.736 563 HD12 LEU 73 2HD1 LEU 73 4.243 -5.038 7.776 564 HD13 LEU 73 3HD1 LEU 73 4.518 -5.188 6.044 565 HD21 LEU 73 1HD2 LEU 73 1.825 -3.910 5.015 566 HD22 LEU 73 2HD2 LEU 73 3.458 -3.538 4.453 567 HD23 LEU 73 3HD2 LEU 73 2.428 -2.250 5.072 568 H VAL 74 H VAL 74 3.952 -0.742 8.258 569 HA VAL 74 HA VAL 74 6.591 -1.701 8.125 570 HB VAL 74 HB VAL 74 5.682 1.205 8.425 571 HG11 VAL 74 1HG1 VAL 74 7.891 1.821 7.438 572 HG12 VAL 74 2HG1 VAL 74 8.374 0.124 7.474 573 HG13 VAL 74 3HG1 VAL 74 8.075 0.985 8.983 574 HG21 VAL 74 1HG2 VAL 74 4.690 0.133 6.431 575 HG22 VAL 74 2HG2 VAL 74 6.286 -0.379 5.885 576 HG23 VAL 74 3HG2 VAL 74 5.885 1.339 5.947 577 H GLN 75 H GLN 75 4.916 0.233 10.632 578 HA GLN 75 HA GLN 75 7.006 0.566 12.471 579 HB2 GLN 75 2HB GLN 75 4.035 0.242 13.092 580 HB3 GLN 75 1HB GLN 75 5.233 0.981 14.150 581 HG2 GLN 75 2HG GLN 75 5.563 2.803 12.501 582 HG3 GLN 75 1HG GLN 75 4.366 2.057 11.444 583 HE21 GLN 75 1HE2 GLN 75 4.339 4.723 12.617 584 HE22 GLN 75 2HE2 GLN 75 2.892 4.833 13.559 585 H ARG 76 H ARG 76 5.050 -2.296 11.853 586 HA ARG 76 HA ARG 76 5.682 -3.723 14.275 587 HB2 ARG 76 2HB ARG 76 4.706 -4.788 11.589 588 HB3 ARG 76 1HB ARG 76 4.766 -5.711 13.085 589 HG2 ARG 76 2HG ARG 76 3.028 -3.281 12.572 590 HG3 ARG 76 1HG ARG 76 2.489 -4.957 12.570 591 HD2 ARG 76 2HD ARG 76 3.051 -5.145 14.964 592 HD3 ARG 76 1HD ARG 76 3.610 -3.467 14.970 593 HE ARG 76 HE ARG 76 1.238 -2.922 14.250 594 HH11 ARG 76 1HH1 ARG 76 1.913 -5.662 16.345 595 HH12 ARG 76 2HH1 ARG 76 0.349 -5.618 17.091 596 HH21 ARG 76 1HH2 ARG 76 -0.797 -2.872 15.274 597 HH22 ARG 76 2HH2 ARG 76 -1.174 -4.051 16.494 598 H LEU 77 H LEU 77 6.814 -3.983 10.862 599 HA LEU 77 HA LEU 77 8.763 -5.992 11.402 600 HB2 LEU 77 2HB LEU 77 9.571 -5.586 9.065 601 HB3 LEU 77 1HB LEU 77 7.861 -5.931 9.208 602 HG LEU 77 HG LEU 77 7.530 -3.346 9.056 603 HD11 LEU 77 1HD1 LEU 77 9.209 -2.121 7.711 604 HD12 LEU 77 2HD1 LEU 77 10.334 -3.468 7.910 605 HD13 LEU 77 3HD1 LEU 77 9.783 -2.554 9.322 606 HD21 LEU 77 1HD2 LEU 77 6.766 -4.882 7.351 607 HD22 LEU 77 2HD2 LEU 77 8.369 -4.914 6.609 608 HD23 LEU 77 3HD2 LEU 77 7.422 -3.423 6.613 609 H LYS 78 H LYS 78 8.866 -2.546 11.622 610 HA LYS 78 HA LYS 78 11.655 -2.054 11.721 611 HB2 LYS 78 2HB LYS 78 9.328 -0.680 13.127 612 HB3 LYS 78 1HB LYS 78 10.960 -0.028 13.078 613 HG2 LYS 78 2HG LYS 78 9.239 -0.539 10.637 614 HG3 LYS 78 1HG LYS 78 9.351 1.014 11.447 615 HD2 LYS 78 2HD LYS 78 11.899 -0.286 10.501 616 HD3 LYS 78 1HD LYS 78 10.829 0.413 9.285 617 HE2 LYS 78 2HE LYS 78 12.556 2.014 9.976 618 HE3 LYS 78 1HE LYS 78 10.954 2.598 10.412 619 HZ1 LYS 78 1HZ LYS 78 11.350 1.962 12.674 620 HZ2 LYS 78 2HZ LYS 78 12.623 2.937 12.142 621 HZ3 LYS 78 3HZ LYS 78 12.840 1.269 12.273 622 H ALA 79 H ALA 79 9.271 -2.949 14.200 623 HA ALA 79 HA ALA 79 11.059 -2.843 16.436 624 HB1 ALA 79 1HB ALA 79 8.628 -2.468 16.691 625 HB2 ALA 79 2HB ALA 79 9.173 -3.802 17.707 626 HB3 ALA 79 3HB ALA 79 8.311 -4.136 16.202 627 H HIS 80 H HIS 80 10.376 -5.186 14.010 628 HA HIS 80 HA HIS 80 11.124 -7.565 15.476 629 HB2 HIS 80 2HB HIS 80 10.735 -7.111 12.486 630 HB3 HIS 80 1HB HIS 80 10.964 -8.683 13.249 631 HD1 HIS 80 HD1 HIS 80 8.449 -7.952 11.567 632 HD2 HIS 80 HD2 HIS 80 8.660 -7.770 15.696 633 HE1 HIS 80 HE1 HIS 80 6.093 -8.218 12.356 634 HE2 HIS 80 HE2 HIS 80 6.272 -8.267 14.869 635 HA PRO 81 HA PRO 81 15.569 -7.318 14.783 636 HB2 PRO 81 2HB PRO 81 16.241 -10.011 14.805 637 HB3 PRO 81 1HB PRO 81 15.856 -9.084 16.270 638 HG2 PRO 81 2HG PRO 81 14.089 -10.934 14.700 639 HG3 PRO 81 1HG PRO 81 14.257 -10.767 16.462 640 HD2 PRO 81 2HD PRO 81 12.185 -9.647 15.105 641 HD3 PRO 81 1HD PRO 81 12.877 -8.891 16.556 642 H GLU 82 H GLU 82 14.453 -10.211 12.893 643 HA GLU 82 HA GLU 82 15.539 -9.003 10.413 644 HB2 GLU 82 2HB GLU 82 16.012 -11.853 11.398 645 HB3 GLU 82 1HB GLU 82 16.360 -11.308 9.758 646 HG2 GLU 82 2HG GLU 82 17.989 -9.667 10.660 647 HG3 GLU 82 1HG GLU 82 17.679 -10.270 12.290 648 H GLN 83 H GLN 83 14.181 -9.081 8.761 649 HA GLN 83 HA GLN 83 11.795 -10.850 8.790 650 HB2 GLN 83 2HB GLN 83 12.223 -8.194 7.333 651 HB3 GLN 83 1HB GLN 83 10.742 -9.148 7.323 652 HG2 GLN 83 2HG GLN 83 11.975 -7.772 9.729 653 HG3 GLN 83 1HG GLN 83 10.524 -7.269 8.864 654 HE21 GLN 83 1HE2 GLN 83 8.628 -8.440 9.155 655 HE22 GLN 83 2HE2 GLN 83 8.406 -9.578 10.434 656 H GLY 84 H GLY 84 14.484 -11.606 7.907 657 HA2 GLY 84 2HA GLY 84 14.834 -11.489 5.115 658 HA3 GLY 84 1HA GLY 84 15.606 -12.627 6.203 659 H GLY 85 H GLY 85 14.091 -14.425 7.003 660 HA2 GLY 85 2HA GLY 85 13.048 -16.391 6.478 661 HA3 GLY 85 1HA GLY 85 11.912 -15.409 5.562 662 H ALA 86 H ALA 86 11.676 -16.486 3.662 663 HA ALA 86 HA ALA 86 12.035 -17.027 1.506 664 HB1 ALA 86 1HB ALA 86 14.651 -15.522 1.819 665 HB2 ALA 86 2HB ALA 86 13.092 -14.798 1.429 666 HB3 ALA 86 3HB ALA 86 13.855 -15.907 0.289 667 H ALA 87 H ALA 87 13.456 -18.676 3.811 668 HA ALA 87 HA ALA 87 15.537 -20.113 2.354 669 HB1 ALA 87 1HB ALA 87 15.772 -21.421 4.442 670 HB2 ALA 87 2HB ALA 87 14.354 -20.610 5.116 671 HB3 ALA 87 3HB ALA 87 15.817 -19.688 4.767 672 H LEU 88 H LEU 88 15.428 -22.430 1.978 673 HA LEU 88 HA LEU 88 12.955 -23.423 0.938 674 HB2 LEU 88 2HB LEU 88 15.394 -23.986 0.210 675 HB3 LEU 88 1HB LEU 88 15.418 -25.113 1.550 676 HG LEU 88 HG LEU 88 13.453 -25.261 -0.784 677 HD11 LEU 88 1HD1 LEU 88 14.788 -27.108 -1.655 678 HD12 LEU 88 2HD1 LEU 88 15.980 -26.879 -0.374 679 HD13 LEU 88 3HD1 LEU 88 15.729 -25.620 -1.585 680 HD21 LEU 88 1HD2 LEU 88 12.969 -27.564 -0.021 681 HD22 LEU 88 2HD2 LEU 88 12.550 -26.377 1.211 682 HD23 LEU 88 3HD2 LEU 88 14.025 -27.332 1.376 683 H GLU 89 H GLU 89 11.383 -23.725 2.393 684 HA GLU 89 HA GLU 89 11.906 -25.008 5.000 685 HB2 GLU 89 2HB GLU 89 10.750 -22.773 4.908 686 HB3 GLU 89 1HB GLU 89 9.434 -23.520 4.011 687 HG2 GLU 89 2HG GLU 89 8.893 -24.943 5.940 688 HG3 GLU 89 1HG GLU 89 10.255 -24.272 6.843 689 H282 PNS 101 3H28 PNS 136 -1.482 -11.453 -1.740 690 H281 PNS 101 2H28 PNS 136 -1.202 -10.133 -2.870 691 H303 PNS 101 3H51 PNS 136 -0.043 -10.190 -0.136 692 H302 PNS 101 2H51 PNS 136 1.604 -9.768 -0.574 693 H301 PNS 101 1H51 PNS 136 0.260 -8.940 -1.360 694 H313 PNS 101 3H52 PNS 136 1.475 -11.258 -3.995 695 H312 PNS 101 2H52 PNS 136 2.519 -10.425 -2.845 696 H311 PNS 101 1H52 PNS 136 1.161 -9.566 -3.591 697 H32 PNS 101 H32 PNS 136 2.122 -12.082 -1.008 698 H33 PNS 101 H33 PNS 136 -0.582 -12.951 -0.766 699 H36 PNS 101 H36 PNS 136 3.218 -12.936 -2.773 700 H372 PNS 101 3H37 PNS 136 2.612 -15.581 -3.616 701 H371 PNS 101 2H37 PNS 136 2.312 -14.435 -4.923 702 H382 PNS 101 3H38 PNS 136 4.949 -14.821 -3.468 703 H381 PNS 101 2H38 PNS 136 4.572 -15.396 -5.090 704 H41 PNS 101 H41 PNS 136 3.231 -13.045 -6.043 705 H422 PNS 101 3H42 PNS 136 5.019 -11.588 -7.371 706 H421 PNS 101 2H42 PNS 136 5.027 -10.763 -5.811 707 H431 PNS 101 2H43 PNS 136 2.585 -10.419 -6.004 708 H432 PNS 101 3H43 PNS 136 3.453 -9.684 -7.368 709 H44 PNS 101 H44 PNS 136 1.094 -10.943 -8.324 Start of MODEL 4 1 H1 MET 1 1H MET 1 1.132 16.169 0.526 2 H2 MET 1 2H MET 1 0.791 17.355 -0.624 3 H3 MET 1 3H MET 1 2.387 17.062 -0.168 4 HA MET 1 HA MET 1 0.629 15.141 -1.535 5 HB2 MET 1 2HB MET 1 1.243 16.987 -3.051 6 HB3 MET 1 1HB MET 1 2.941 16.785 -2.646 7 HG2 MET 1 2HG MET 1 2.936 14.554 -3.685 8 HG3 MET 1 1HG MET 1 1.223 14.732 -4.076 9 HE1 MET 1 1HE MET 1 3.108 15.031 -7.580 10 HE2 MET 1 2HE MET 1 1.915 14.106 -6.668 11 HE3 MET 1 3HE MET 1 3.622 14.032 -6.221 12 H LEU 2 H LEU 2 1.153 13.259 -0.630 13 HA LEU 2 HA LEU 2 3.742 12.106 -1.176 14 HB2 LEU 2 2HB LEU 2 4.029 13.058 1.146 15 HB3 LEU 2 1HB LEU 2 2.668 12.088 1.691 16 HG LEU 2 HG LEU 2 3.949 10.008 1.109 17 HD11 LEU 2 1HD1 LEU 2 6.253 11.891 0.520 18 HD12 LEU 2 2HD1 LEU 2 5.389 10.886 -0.650 19 HD13 LEU 2 3HD1 LEU 2 6.351 10.130 0.618 20 HD21 LEU 2 1HD2 LEU 2 3.986 10.821 3.414 21 HD22 LEU 2 2HD2 LEU 2 5.390 11.833 3.058 22 HD23 LEU 2 3HD2 LEU 2 5.525 10.072 2.984 23 H GLU 3 H GLU 3 0.596 11.796 0.393 24 HA GLU 3 HA GLU 3 0.185 9.017 -0.129 25 HB2 GLU 3 2HB GLU 3 -1.854 11.193 0.499 26 HB3 GLU 3 1HB GLU 3 -2.128 9.454 0.605 27 HG2 GLU 3 2HG GLU 3 -0.270 11.118 2.329 28 HG3 GLU 3 1HG GLU 3 -1.761 10.323 2.830 29 H SER 4 H SER 4 -0.810 12.025 -1.713 30 HA SER 4 HA SER 4 -2.353 11.059 -3.828 31 HB2 SER 4 2HB SER 4 -0.425 13.432 -3.911 32 HB3 SER 4 1HB SER 4 -1.815 13.171 -4.966 33 HG SER 4 HG SER 4 -3.019 13.135 -2.850 34 H LYS 5 H LYS 5 1.104 11.019 -3.319 35 HA LYS 5 HA LYS 5 1.924 10.630 -6.026 36 HB2 LYS 5 2HB LYS 5 3.231 11.603 -3.963 37 HB3 LYS 5 1HB LYS 5 3.581 9.931 -3.568 38 HG2 LYS 5 2HG LYS 5 4.313 11.217 -6.216 39 HG3 LYS 5 1HG LYS 5 5.385 11.200 -4.817 40 HD2 LYS 5 2HD LYS 5 5.325 8.688 -4.871 41 HD3 LYS 5 1HD LYS 5 4.355 8.770 -6.340 42 HE2 LYS 5 2HE LYS 5 7.158 9.906 -6.048 43 HE3 LYS 5 1HE LYS 5 6.762 8.354 -6.789 44 HZ1 LYS 5 1HZ LYS 5 5.846 11.013 -7.740 45 HZ2 LYS 5 2HZ LYS 5 5.444 9.530 -8.444 46 HZ3 LYS 5 3HZ LYS 5 7.042 10.056 -8.450 47 H LEU 6 H LEU 6 1.591 8.432 -3.160 48 HA LEU 6 HA LEU 6 2.490 6.097 -4.545 49 HB2 LEU 6 2HB LEU 6 1.908 4.821 -2.558 50 HB3 LEU 6 1HB LEU 6 2.745 6.292 -2.125 51 HG LEU 6 HG LEU 6 0.216 7.172 -1.743 52 HD11 LEU 6 1HD1 LEU 6 -0.904 5.109 -2.407 53 HD12 LEU 6 2HD1 LEU 6 -1.213 5.472 -0.714 54 HD13 LEU 6 3HD1 LEU 6 -0.055 4.209 -1.147 55 HD21 LEU 6 1HD2 LEU 6 0.476 6.728 0.656 56 HD22 LEU 6 2HD2 LEU 6 1.996 7.254 -0.063 57 HD23 LEU 6 3HD2 LEU 6 1.748 5.547 0.316 58 H ILE 7 H ILE 7 -0.691 7.494 -3.953 59 HA ILE 7 HA ILE 7 -2.270 5.336 -4.948 60 HB ILE 7 HB ILE 7 -2.851 8.320 -4.746 61 HG12 ILE 7 2HG1 ILE 7 -3.884 6.072 -2.959 62 HG13 ILE 7 1HG1 ILE 7 -2.451 7.019 -2.583 63 HG21 ILE 7 1HG2 ILE 7 -5.249 7.795 -5.045 64 HG22 ILE 7 2HG2 ILE 7 -4.848 6.100 -5.329 65 HG23 ILE 7 3HG2 ILE 7 -4.313 7.332 -6.473 66 HD11 ILE 7 1HD1 ILE 7 -5.272 8.072 -2.820 67 HD12 ILE 7 2HD1 ILE 7 -3.839 9.051 -2.488 68 HD13 ILE 7 3HD1 ILE 7 -4.352 7.819 -1.337 69 H ASN 8 H ASN 8 -1.110 8.369 -6.437 70 HA ASN 8 HA ASN 8 -2.418 8.110 -8.905 71 HB2 ASN 8 2HB ASN 8 -1.289 10.186 -7.783 72 HB3 ASN 8 1HB ASN 8 0.176 9.666 -8.592 73 HD21 ASN 8 1HD2 ASN 8 -0.483 9.063 -11.093 74 HD22 ASN 8 2HD2 ASN 8 -1.312 10.357 -11.877 75 H HIS 9 H HIS 9 0.584 6.735 -7.793 76 HA HIS 9 HA HIS 9 1.992 6.309 -10.166 77 HB2 HIS 9 2HB HIS 9 2.897 6.007 -7.877 78 HB3 HIS 9 1HB HIS 9 1.916 4.559 -7.674 79 HD1 HIS 9 HD1 HIS 9 5.248 5.477 -8.371 80 HD2 HIS 9 HD2 HIS 9 2.720 2.571 -9.926 81 HE1 HIS 9 HE1 HIS 9 6.755 3.747 -9.374 82 HE2 HIS 9 HE2 HIS 9 5.198 1.874 -10.029 83 H ILE 10 H ILE 10 0.028 3.834 -8.444 84 HA ILE 10 HA ILE 10 -0.221 2.259 -10.868 85 HB ILE 10 HB ILE 10 -1.657 0.728 -9.383 86 HG12 ILE 10 2HG1 ILE 10 -1.060 0.905 -6.892 87 HG13 ILE 10 1HG1 ILE 10 -0.549 2.548 -7.199 88 HG21 ILE 10 1HG2 ILE 10 1.288 1.078 -8.729 89 HG22 ILE 10 2HG2 ILE 10 0.598 0.149 -10.063 90 HG23 ILE 10 3HG2 ILE 10 0.323 -0.369 -8.401 91 HD11 ILE 10 1HD1 ILE 10 -2.753 2.443 -6.215 92 HD12 ILE 10 2HD1 ILE 10 -3.331 1.447 -7.552 93 HD13 ILE 10 3HD1 ILE 10 -2.831 3.115 -7.845 94 H ALA 11 H ALA 11 -2.161 4.654 -9.204 95 HA ALA 11 HA ALA 11 -4.732 4.138 -10.117 96 HB1 ALA 11 1HB ALA 11 -3.418 6.867 -9.970 97 HB2 ALA 11 2HB ALA 11 -4.158 6.018 -8.616 98 HB3 ALA 11 3HB ALA 11 -5.159 6.547 -9.971 99 H THR 12 H THR 12 -1.937 5.086 -11.978 100 HA THR 12 HA THR 12 -3.016 6.093 -14.343 101 HB THR 12 HB THR 12 -0.642 4.180 -14.222 102 HG1 THR 12 HG1 THR 12 0.439 5.655 -13.163 103 HG21 THR 12 1HG2 THR 12 0.242 5.554 -16.068 104 HG22 THR 12 2HG2 THR 12 -1.199 6.572 -16.029 105 HG23 THR 12 3HG2 THR 12 -1.326 4.877 -16.510 106 H GLN 13 H GLN 13 -2.379 2.732 -13.398 107 HA GLN 13 HA GLN 13 -3.696 1.630 -15.788 108 HB2 GLN 13 2HB GLN 13 -2.745 -0.551 -14.983 109 HB3 GLN 13 1HB GLN 13 -1.518 0.677 -15.275 110 HG2 GLN 13 2HG GLN 13 -1.291 1.087 -12.886 111 HG3 GLN 13 1HG GLN 13 -2.620 -0.015 -12.535 112 HE21 GLN 13 1HE2 GLN 13 0.724 0.220 -13.517 113 HE22 GLN 13 2HE2 GLN 13 1.122 -1.439 -13.254 114 H PHE 14 H PHE 14 -4.249 2.092 -12.393 115 HA PHE 14 HA PHE 14 -6.163 -0.067 -12.086 116 HB2 PHE 14 2HB PHE 14 -4.588 1.665 -10.228 117 HB3 PHE 14 1HB PHE 14 -6.236 1.382 -9.677 118 HD1 PHE 14 HD1 PHE 14 -6.406 -0.398 -8.117 119 HD2 PHE 14 HD2 PHE 14 -3.491 -0.660 -11.244 120 HE1 PHE 14 HE1 PHE 14 -5.780 -2.647 -7.374 121 HE2 PHE 14 HE2 PHE 14 -2.887 -2.901 -10.478 122 HZ PHE 14 HZ PHE 14 -4.027 -3.903 -8.544 123 H LEU 15 H LEU 15 -6.181 3.446 -12.449 124 HA LEU 15 HA LEU 15 -9.146 3.507 -12.061 125 HB2 LEU 15 2HB LEU 15 -7.189 5.654 -11.161 126 HB3 LEU 15 1HB LEU 15 -8.925 5.639 -10.899 127 HG LEU 15 HG LEU 15 -6.909 3.767 -9.585 128 HD11 LEU 15 1HD1 LEU 15 -7.338 4.997 -7.545 129 HD12 LEU 15 2HD1 LEU 15 -8.494 6.056 -8.353 130 HD13 LEU 15 3HD1 LEU 15 -6.786 6.104 -8.794 131 HD21 LEU 15 1HD2 LEU 15 -8.796 3.009 -8.181 132 HD22 LEU 15 2HD2 LEU 15 -9.047 2.613 -9.876 133 HD23 LEU 15 3HD2 LEU 15 -9.925 3.966 -9.149 134 H ASP 16 H ASP 16 -7.001 3.781 -14.457 135 HA ASP 16 HA ASP 16 -7.036 4.697 -16.549 136 HB2 ASP 16 2HB ASP 16 -9.599 4.604 -16.245 137 HB3 ASP 16 1HB ASP 16 -9.532 6.279 -15.761 138 H GLY 17 H GLY 17 -5.622 5.891 -14.306 139 HA2 GLY 17 2HA GLY 17 -4.111 7.616 -14.069 140 HA3 GLY 17 1HA GLY 17 -4.745 8.366 -15.519 141 H GLU 18 H GLU 18 -7.163 7.669 -13.268 142 HA GLU 18 HA GLU 18 -7.333 10.504 -12.427 143 HB2 GLU 18 2HB GLU 18 -9.608 10.442 -12.819 144 HB3 GLU 18 1HB GLU 18 -9.182 9.128 -13.914 145 HG2 GLU 18 2HG GLU 18 -9.709 7.509 -12.079 146 HG3 GLU 18 1HG GLU 18 -10.248 8.859 -11.087 147 H LYS 19 H LYS 19 -7.832 10.924 -10.222 148 HA LYS 19 HA LYS 19 -7.416 8.727 -8.289 149 HB2 LYS 19 2HB LYS 19 -7.729 11.712 -7.808 150 HB3 LYS 19 1HB LYS 19 -7.264 10.496 -6.611 151 HG2 LYS 19 2HG LYS 19 -5.247 9.995 -8.133 152 HG3 LYS 19 1HG LYS 19 -5.658 11.488 -8.983 153 HD2 LYS 19 2HD LYS 19 -5.113 11.284 -6.012 154 HD3 LYS 19 1HD LYS 19 -3.913 11.772 -7.211 155 HE2 LYS 19 2HE LYS 19 -5.329 13.724 -7.815 156 HE3 LYS 19 1HE LYS 19 -6.512 13.236 -6.600 157 HZ1 LYS 19 1HZ LYS 19 -4.799 13.542 -4.908 158 HZ2 LYS 19 2HZ LYS 19 -5.116 14.962 -5.755 159 HZ3 LYS 19 3HZ LYS 19 -3.714 14.087 -6.090 160 H ASP 20 H ASP 20 -9.250 7.618 -7.982 161 HA ASP 20 HA ASP 20 -11.695 8.917 -7.132 162 HB2 ASP 20 2HB ASP 20 -11.969 9.118 -9.533 163 HB3 ASP 20 1HB ASP 20 -11.592 7.417 -9.768 164 H GLY 21 H GLY 21 -12.166 7.791 -5.416 165 HA2 GLY 21 2HA GLY 21 -13.190 6.048 -4.288 166 HA3 GLY 21 1HA GLY 21 -12.773 4.946 -5.592 167 H LEU 22 H LEU 22 -9.950 5.743 -5.596 168 HA LEU 22 HA LEU 22 -8.996 4.139 -3.343 169 HB2 LEU 22 2HB LEU 22 -8.330 3.751 -5.807 170 HB3 LEU 22 1HB LEU 22 -7.444 5.250 -5.707 171 HG LEU 22 HG LEU 22 -5.967 4.269 -3.949 172 HD11 LEU 22 1HD1 LEU 22 -7.519 2.616 -2.992 173 HD12 LEU 22 2HD1 LEU 22 -6.008 1.861 -3.486 174 HD13 LEU 22 3HD1 LEU 22 -7.451 1.673 -4.484 175 HD21 LEU 22 1HD2 LEU 22 -4.704 2.796 -5.450 176 HD22 LEU 22 2HD2 LEU 22 -5.295 4.215 -6.313 177 HD23 LEU 22 3HD2 LEU 22 -6.101 2.655 -6.521 178 H ASP 23 H ASP 23 -8.752 5.390 -1.572 179 HA ASP 23 HA ASP 23 -6.801 7.574 -1.643 180 HB2 ASP 23 2HB ASP 23 -9.120 8.604 -1.692 181 HB3 ASP 23 1HB ASP 23 -9.470 7.814 -0.160 182 H SER 24 H SER 24 -6.004 8.091 0.582 183 HA SER 24 HA SER 24 -5.079 5.830 1.948 184 HB2 SER 24 2HB SER 24 -5.155 8.722 2.908 185 HB3 SER 24 1HB SER 24 -4.109 7.446 3.547 186 HG SER 24 HG SER 24 -2.810 7.728 1.921 187 H GLN 25 H GLN 25 -7.747 8.006 2.647 188 HA GLN 25 HA GLN 25 -8.403 6.831 5.210 189 HB2 GLN 25 2HB GLN 25 -9.910 8.887 3.568 190 HB3 GLN 25 1HB GLN 25 -10.294 8.418 5.222 191 HG2 GLN 25 2HG GLN 25 -7.797 9.830 4.259 192 HG3 GLN 25 1HG GLN 25 -9.075 10.492 5.265 193 HE21 GLN 25 1HE2 GLN 25 -9.187 9.869 7.474 194 HE22 GLN 25 2HE2 GLN 25 -7.832 9.170 8.284 195 H THR 26 H THR 26 -9.161 6.138 1.947 196 HA THR 26 HA THR 26 -11.766 5.037 2.282 197 HB THR 26 HB THR 26 -9.774 4.340 0.075 198 HG1 THR 26 HG1 THR 26 -11.139 5.980 -1.058 199 HG21 THR 26 1HG2 THR 26 -11.698 2.806 0.201 200 HG22 THR 26 2HG2 THR 26 -11.828 3.840 -1.221 201 HG23 THR 26 3HG2 THR 26 -12.807 4.175 0.209 202 HA PRO 27 HA PRO 27 -10.490 0.883 3.748 203 HB2 PRO 27 2HB PRO 27 -12.900 -0.356 3.421 204 HB3 PRO 27 1HB PRO 27 -12.562 0.718 4.799 205 HG2 PRO 27 2HG PRO 27 -14.049 1.323 2.262 206 HG3 PRO 27 1HG PRO 27 -14.463 1.762 3.933 207 HD2 PRO 27 2HD PRO 27 -13.279 3.510 2.223 208 HD3 PRO 27 1HD PRO 27 -12.980 3.560 3.970 209 H LEU 28 H LEU 28 -9.223 -0.186 2.291 210 HA LEU 28 HA LEU 28 -9.847 -0.200 -0.527 211 HB2 LEU 28 2HB LEU 28 -7.578 -1.657 0.886 212 HB3 LEU 28 1HB LEU 28 -7.670 -1.251 -0.821 213 HG LEU 28 HG LEU 28 -7.256 0.671 1.505 214 HD11 LEU 28 1HD1 LEU 28 -5.097 1.159 0.430 215 HD12 LEU 28 2HD1 LEU 28 -5.421 -0.081 -0.785 216 HD13 LEU 28 3HD1 LEU 28 -5.245 -0.529 0.914 217 HD21 LEU 28 1HD2 LEU 28 -8.712 1.805 -0.068 218 HD22 LEU 28 2HD2 LEU 28 -7.669 1.371 -1.423 219 HD23 LEU 28 3HD2 LEU 28 -7.092 2.492 -0.189 220 H PHE 29 H PHE 29 -9.761 -2.557 2.129 221 HA PHE 29 HA PHE 29 -10.337 -4.829 0.464 222 HB2 PHE 29 2HB PHE 29 -9.613 -4.394 3.277 223 HB3 PHE 29 1HB PHE 29 -10.902 -5.583 3.156 224 HD1 PHE 29 HD1 PHE 29 -7.977 -4.856 0.931 225 HD2 PHE 29 HD2 PHE 29 -9.913 -7.710 3.466 226 HE1 PHE 29 HE1 PHE 29 -6.337 -6.544 0.303 227 HE2 PHE 29 HE2 PHE 29 -8.252 -9.404 2.817 228 HZ PHE 29 HZ PHE 29 -6.464 -8.825 1.225 229 H GLU 30 H GLU 30 -12.312 -2.781 2.623 230 HA GLU 30 HA GLU 30 -14.648 -4.364 2.617 231 HB2 GLU 30 2HB GLU 30 -14.577 -1.320 2.792 232 HB3 GLU 30 1HB GLU 30 -15.877 -2.370 3.348 233 HG2 GLU 30 2HG GLU 30 -13.092 -2.132 4.522 234 HG3 GLU 30 1HG GLU 30 -14.591 -1.558 5.237 235 H LEU 31 H LEU 31 -13.525 -1.877 0.398 236 HA LEU 31 HA LEU 31 -15.871 -2.136 -1.346 237 HB2 LEU 31 2HB LEU 31 -13.423 -0.377 -1.711 238 HB3 LEU 31 1HB LEU 31 -14.936 -0.265 -2.594 239 HG LEU 31 HG LEU 31 -14.440 0.466 0.319 240 HD11 LEU 31 1HD1 LEU 31 -15.289 2.187 -2.030 241 HD12 LEU 31 2HD1 LEU 31 -13.683 2.131 -1.301 242 HD13 LEU 31 3HD1 LEU 31 -15.051 2.725 -0.363 243 HD21 LEU 31 1HD2 LEU 31 -17.110 0.460 -1.145 244 HD22 LEU 31 2HD2 LEU 31 -16.812 1.117 0.468 245 HD23 LEU 31 3HD2 LEU 31 -16.638 -0.611 0.178 246 H ASN 32 H ASN 32 -12.711 -3.425 -1.004 247 HA ASN 32 HA ASN 32 -11.477 -4.949 -2.133 248 HB2 ASN 32 2HB ASN 32 -14.071 -5.400 -3.672 249 HB3 ASN 32 1HB ASN 32 -12.638 -6.394 -3.903 250 HD21 ASN 32 1HD2 ASN 32 -15.246 -5.585 -1.718 251 HD22 ASN 32 2HD2 ASN 32 -15.028 -6.929 -0.654 252 H ILE 33 H ILE 33 -11.176 -2.267 -2.851 253 HA ILE 33 HA ILE 33 -11.373 -1.701 -5.630 254 HB ILE 33 HB ILE 33 -9.560 -0.356 -3.583 255 HG12 ILE 33 2HG1 ILE 33 -12.395 0.419 -4.391 256 HG13 ILE 33 1HG1 ILE 33 -11.972 -0.396 -2.889 257 HG21 ILE 33 1HG2 ILE 33 -9.646 1.620 -5.080 258 HG22 ILE 33 2HG2 ILE 33 -10.598 0.700 -6.246 259 HG23 ILE 33 3HG2 ILE 33 -8.934 0.226 -5.899 260 HD11 ILE 33 1HD1 ILE 33 -11.097 2.362 -3.720 261 HD12 ILE 33 2HD1 ILE 33 -10.655 1.550 -2.215 262 HD13 ILE 33 3HD1 ILE 33 -12.339 1.958 -2.538 263 H VAL 34 H VAL 34 -8.541 -2.542 -3.592 264 HA VAL 34 HA VAL 34 -6.822 -2.509 -6.006 265 HB VAL 34 HB VAL 34 -6.154 -1.051 -4.099 266 HG11 VAL 34 1HG1 VAL 34 -5.266 -1.992 -1.993 267 HG12 VAL 34 2HG1 VAL 34 -5.665 -3.621 -2.536 268 HG13 VAL 34 3HG1 VAL 34 -6.958 -2.461 -2.212 269 HG21 VAL 34 1HG2 VAL 34 -3.745 -1.673 -4.018 270 HG22 VAL 34 2HG2 VAL 34 -4.409 -1.818 -5.647 271 HG23 VAL 34 3HG2 VAL 34 -4.143 -3.264 -4.676 272 H ASP 35 H ASP 35 -5.560 -4.267 -6.597 273 HA ASP 35 HA ASP 35 -6.192 -6.876 -5.363 274 HB2 ASP 35 2HB ASP 35 -5.108 -6.095 -8.088 275 HB3 ASP 35 1HB ASP 35 -4.992 -7.752 -7.507 276 H SER 36 H SER 36 -4.320 -8.470 -5.545 277 HA SER 36 HA SER 36 -2.407 -7.633 -3.619 278 HB2 SER 36 2HB SER 36 -3.528 -9.956 -3.909 279 HB3 SER 36 1HB SER 36 -2.302 -10.254 -5.141 280 H ALA 37 H ALA 37 -2.357 -8.023 -7.088 281 HA ALA 37 HA ALA 37 0.390 -8.226 -7.619 282 HB1 ALA 37 1HB ALA 37 -1.338 -8.679 -9.318 283 HB2 ALA 37 2HB ALA 37 -0.154 -7.512 -9.910 284 HB3 ALA 37 3HB ALA 37 -1.745 -6.962 -9.373 285 H ALA 38 H ALA 38 -1.570 -5.383 -6.858 286 HA ALA 38 HA ALA 38 0.419 -3.447 -7.768 287 HB1 ALA 38 1HB ALA 38 -1.148 -1.748 -6.885 288 HB2 ALA 38 2HB ALA 38 -2.156 -3.033 -6.212 289 HB3 ALA 38 3HB ALA 38 -1.959 -2.889 -7.957 290 H ILE 39 H ILE 39 -0.270 -5.207 -4.903 291 HA ILE 39 HA ILE 39 0.355 -3.413 -2.859 292 HB ILE 39 HB ILE 39 0.623 -6.439 -2.945 293 HG12 ILE 39 2HG1 ILE 39 -1.650 -5.657 -3.364 294 HG13 ILE 39 1HG1 ILE 39 -1.580 -6.403 -1.775 295 HG21 ILE 39 1HG2 ILE 39 0.569 -6.431 -0.460 296 HG22 ILE 39 2HG2 ILE 39 0.691 -4.670 -0.468 297 HG23 ILE 39 3HG2 ILE 39 2.019 -5.647 -1.096 298 HD11 ILE 39 1HD1 ILE 39 -1.543 -4.162 -0.756 299 HD12 ILE 39 2HD1 ILE 39 -2.972 -4.443 -1.745 300 HD13 ILE 39 3HD1 ILE 39 -1.659 -3.444 -2.366 301 H PHE 40 H PHE 40 2.489 -5.635 -4.644 302 HA PHE 40 HA PHE 40 4.873 -5.317 -3.226 303 HB2 PHE 40 2HB PHE 40 4.508 -7.026 -4.984 304 HB3 PHE 40 1HB PHE 40 4.483 -5.783 -6.221 305 HD1 PHE 40 HD1 PHE 40 6.664 -7.423 -3.671 306 HD2 PHE 40 HD2 PHE 40 6.556 -5.027 -7.222 307 HE1 PHE 40 HE1 PHE 40 9.099 -7.632 -3.897 308 HE2 PHE 40 HE2 PHE 40 8.994 -5.248 -7.438 309 HZ PHE 40 HZ PHE 40 10.267 -6.547 -5.774 310 H ASP 41 H ASP 41 3.386 -3.205 -5.596 311 HA ASP 41 HA ASP 41 5.653 -1.496 -6.065 312 HB2 ASP 41 2HB ASP 41 3.712 -1.898 -7.666 313 HB3 ASP 41 1HB ASP 41 2.707 -0.917 -6.611 314 H LEU 42 H LEU 42 2.655 -1.261 -4.147 315 HA LEU 42 HA LEU 42 3.093 1.282 -2.977 316 HB2 LEU 42 2HB LEU 42 1.364 -1.083 -2.183 317 HB3 LEU 42 1HB LEU 42 1.479 0.322 -1.139 318 HG LEU 42 HG LEU 42 0.568 1.756 -2.965 319 HD11 LEU 42 1HD1 LEU 42 1.274 0.503 -4.932 320 HD12 LEU 42 2HD1 LEU 42 -0.462 0.800 -4.964 321 HD13 LEU 42 3HD1 LEU 42 0.150 -0.798 -4.532 322 HD21 LEU 42 1HD2 LEU 42 -1.230 -0.584 -2.233 323 HD22 LEU 42 2HD2 LEU 42 -1.770 0.988 -2.830 324 HD23 LEU 42 3HD2 LEU 42 -0.960 0.872 -1.270 325 H VAL 43 H VAL 43 4.156 -1.935 -2.112 326 HA VAL 43 HA VAL 43 5.245 -1.558 0.445 327 HB VAL 43 HB VAL 43 6.122 -3.386 -1.834 328 HG11 VAL 43 1HG1 VAL 43 7.430 -4.686 -0.184 329 HG12 VAL 43 2HG1 VAL 43 7.082 -3.472 1.046 330 HG13 VAL 43 3HG1 VAL 43 8.059 -3.046 -0.358 331 HG21 VAL 43 1HG2 VAL 43 4.642 -4.081 0.708 332 HG22 VAL 43 2HG2 VAL 43 4.981 -5.141 -0.653 333 HG23 VAL 43 3HG2 VAL 43 3.869 -3.797 -0.848 334 H ASP 44 H ASP 44 6.740 -1.299 -2.783 335 HA ASP 44 HA ASP 44 9.361 -0.718 -2.073 336 HB2 ASP 44 2HB ASP 44 8.584 -1.211 -4.397 337 HB3 ASP 44 1HB ASP 44 7.853 0.374 -4.478 338 H PHE 45 H PHE 45 6.588 1.389 -2.450 339 HA PHE 45 HA PHE 45 7.920 3.842 -2.284 340 HB2 PHE 45 2HB PHE 45 5.617 3.545 -3.195 341 HB3 PHE 45 1HB PHE 45 5.031 3.179 -1.578 342 HD1 PHE 45 HD1 PHE 45 6.161 5.842 -3.848 343 HD2 PHE 45 HD2 PHE 45 4.797 4.996 0.122 344 HE1 PHE 45 HE1 PHE 45 5.762 8.225 -3.460 345 HE2 PHE 45 HE2 PHE 45 4.408 7.393 0.490 346 HZ PHE 45 HZ PHE 45 4.891 9.009 -1.302 347 H LEU 46 H LEU 46 6.274 1.845 0.187 348 HA LEU 46 HA LEU 46 6.592 3.714 2.341 349 HB2 LEU 46 2HB LEU 46 5.993 0.742 2.474 350 HB3 LEU 46 1HB LEU 46 5.795 1.883 3.797 351 HG LEU 46 HG LEU 46 4.190 1.857 1.210 352 HD11 LEU 46 1HD1 LEU 46 3.340 1.099 4.017 353 HD12 LEU 46 2HD1 LEU 46 3.628 -0.012 2.675 354 HD13 LEU 46 3HD1 LEU 46 2.309 1.149 2.584 355 HD21 LEU 46 1HD2 LEU 46 2.784 3.607 2.253 356 HD22 LEU 46 2HD2 LEU 46 4.435 4.160 1.997 357 HD23 LEU 46 3HD2 LEU 46 3.904 3.697 3.616 358 H ARG 47 H ARG 47 8.431 0.822 1.344 359 HA ARG 47 HA ARG 47 10.148 0.846 3.647 360 HB2 ARG 47 2HB ARG 47 11.495 -0.849 2.497 361 HB3 ARG 47 1HB ARG 47 9.790 -1.262 2.420 362 HG2 ARG 47 2HG ARG 47 9.662 -0.684 0.109 363 HG3 ARG 47 1HG ARG 47 11.242 0.090 0.126 364 HD2 ARG 47 2HD ARG 47 10.805 -2.877 0.609 365 HD3 ARG 47 1HD ARG 47 11.162 -2.181 -0.975 366 HE ARG 47 HE ARG 47 13.091 -1.404 1.002 367 HH11 ARG 47 1HH1 ARG 47 12.237 -4.041 -1.162 368 HH12 ARG 47 2HH1 ARG 47 13.859 -4.642 -1.256 369 HH21 ARG 47 1HH2 ARG 47 15.235 -2.187 0.813 370 HH22 ARG 47 2HH2 ARG 47 15.550 -3.608 -0.146 371 H GLN 48 H GLN 48 10.204 2.325 0.464 372 HA GLN 48 HA GLN 48 12.794 3.449 0.486 373 HB2 GLN 48 2HB GLN 48 11.400 3.498 -1.536 374 HB3 GLN 48 1HB GLN 48 10.171 4.443 -0.705 375 HG2 GLN 48 2HG GLN 48 11.871 6.313 -0.494 376 HG3 GLN 48 1HG GLN 48 12.932 5.369 -1.534 377 HE21 GLN 48 1HE2 GLN 48 9.418 5.599 -1.899 378 HE22 GLN 48 2HE2 GLN 48 9.461 6.417 -3.417 379 H GLU 49 H GLU 49 9.640 4.750 1.516 380 HA GLU 49 HA GLU 49 10.406 7.257 2.483 381 HB2 GLU 49 2HB GLU 49 8.034 5.451 3.116 382 HB3 GLU 49 1HB GLU 49 8.196 7.029 3.880 383 HG2 GLU 49 2HG GLU 49 7.974 6.505 0.897 384 HG3 GLU 49 1HG GLU 49 6.697 7.139 1.939 385 H SER 50 H SER 50 10.069 4.193 4.151 386 HA SER 50 HA SER 50 10.765 5.310 6.757 387 HB2 SER 50 2HB SER 50 9.987 2.481 5.948 388 HB3 SER 50 1HB SER 50 10.141 3.079 7.605 389 HG SER 50 HG SER 50 8.179 3.579 5.692 390 H LYS 51 H LYS 51 12.547 4.155 4.160 391 HA LYS 51 HA LYS 51 14.722 3.646 3.817 392 HB2 LYS 51 2HB LYS 51 15.094 4.724 6.640 393 HB3 LYS 51 1HB LYS 51 16.376 4.524 5.453 394 HG2 LYS 51 2HG LYS 51 14.007 6.419 5.193 395 HG3 LYS 51 1HG LYS 51 15.649 6.884 5.652 396 HD2 LYS 51 2HD LYS 51 14.802 5.701 2.973 397 HD3 LYS 51 1HD LYS 51 15.212 7.390 3.277 398 HE2 LYS 51 2HE LYS 51 17.532 6.681 3.875 399 HE3 LYS 51 1HE LYS 51 17.100 5.016 3.483 400 HZ1 LYS 51 1HZ LYS 51 16.627 5.732 1.228 401 HZ2 LYS 51 2HZ LYS 51 18.224 6.044 1.663 402 HZ3 LYS 51 3HZ LYS 51 17.111 7.310 1.614 403 H VAL 52 H VAL 52 13.310 1.452 4.359 404 HA VAL 52 HA VAL 52 15.030 -0.308 5.992 405 HB VAL 52 HB VAL 52 13.042 0.446 7.330 406 HG11 VAL 52 1HG1 VAL 52 11.357 -1.022 5.266 407 HG12 VAL 52 2HG1 VAL 52 11.401 0.725 5.513 408 HG13 VAL 52 3HG1 VAL 52 10.761 -0.328 6.778 409 HG21 VAL 52 1HG2 VAL 52 13.035 -2.530 6.720 410 HG22 VAL 52 2HG2 VAL 52 12.351 -1.775 8.160 411 HG23 VAL 52 3HG2 VAL 52 14.092 -1.712 7.873 412 H SER 53 H SER 53 14.862 -2.570 5.390 413 HA SER 53 HA SER 53 13.609 -3.173 2.773 414 HB2 SER 53 2HB SER 53 15.020 -5.299 2.964 415 HB3 SER 53 1HB SER 53 15.956 -3.806 2.868 416 HG SER 53 HG SER 53 15.254 -4.808 5.398 417 H ILE 54 H ILE 54 12.231 -4.982 2.603 418 HA ILE 54 HA ILE 54 11.044 -6.071 5.084 419 HB ILE 54 HB ILE 54 9.532 -4.309 4.421 420 HG12 ILE 54 2HG1 ILE 54 8.413 -6.996 3.499 421 HG13 ILE 54 1HG1 ILE 54 8.347 -6.344 5.129 422 HG21 ILE 54 1HG2 ILE 54 9.516 -5.449 1.613 423 HG22 ILE 54 2HG2 ILE 54 10.344 -3.976 2.128 424 HG23 ILE 54 3HG2 ILE 54 8.583 -4.062 2.185 425 HD11 ILE 54 1HD1 ILE 54 6.205 -6.203 4.033 426 HD12 ILE 54 2HD1 ILE 54 6.901 -5.266 2.713 427 HD13 ILE 54 3HD1 ILE 54 6.832 -4.583 4.339 428 H GLY 55 H GLY 55 10.305 -8.191 4.923 429 HA2 GLY 55 2HA GLY 55 11.263 -9.860 2.774 430 HA3 GLY 55 1HA GLY 55 10.334 -10.367 4.178 431 H MET 56 H MET 56 10.011 -10.975 1.232 432 HA MET 56 HA MET 56 7.664 -9.656 0.268 433 HB2 MET 56 2HB MET 56 8.876 -12.300 -0.594 434 HB3 MET 56 1HB MET 56 7.669 -11.394 -1.497 435 HG2 MET 56 2HG MET 56 9.335 -9.510 -1.668 436 HG3 MET 56 1HG MET 56 10.528 -10.587 -0.944 437 HE1 MET 56 1HE MET 56 8.386 -9.738 -4.096 438 HE2 MET 56 2HE MET 56 7.677 -11.296 -3.657 439 HE3 MET 56 3HE MET 56 8.642 -11.149 -5.124 440 H GLN 57 H GLN 57 8.052 -11.942 2.666 441 HA GLN 57 HA GLN 57 5.576 -13.375 2.484 442 HB2 GLN 57 2HB GLN 57 7.547 -13.024 4.791 443 HB3 GLN 57 1HB GLN 57 6.178 -14.128 4.810 444 HG2 GLN 57 2HG GLN 57 8.117 -15.431 4.346 445 HG3 GLN 57 1HG GLN 57 7.201 -15.329 2.846 446 HE21 GLN 57 1HE2 GLN 57 9.002 -15.825 1.593 447 HE22 GLN 57 2HE2 GLN 57 10.297 -14.715 1.322 448 H GLU 58 H GLU 58 6.687 -10.393 3.991 449 HA GLU 58 HA GLU 58 4.231 -9.961 5.524 450 HB2 GLU 58 2HB GLU 58 6.627 -8.148 5.024 451 HB3 GLU 58 1HB GLU 58 5.332 -7.836 6.180 452 HG2 GLU 58 2HG GLU 58 7.154 -10.255 6.310 453 HG3 GLU 58 1HG GLU 58 7.467 -8.747 7.154 454 H ILE 59 H ILE 59 5.447 -9.316 2.369 455 HA ILE 59 HA ILE 59 3.690 -7.160 1.661 456 HB ILE 59 HB ILE 59 5.089 -9.164 -0.150 457 HG12 ILE 59 2HG1 ILE 59 5.996 -6.394 0.775 458 HG13 ILE 59 1HG1 ILE 59 6.737 -7.930 1.212 459 HG21 ILE 59 1HG2 ILE 59 3.778 -6.495 -0.795 460 HG22 ILE 59 2HG2 ILE 59 3.250 -8.094 -1.321 461 HG23 ILE 59 3HG2 ILE 59 4.767 -7.432 -1.923 462 HD11 ILE 59 1HD1 ILE 59 8.059 -6.785 -0.443 463 HD12 ILE 59 2HD1 ILE 59 6.679 -6.686 -1.536 464 HD13 ILE 59 3HD1 ILE 59 7.387 -8.258 -1.145 465 H HIS 60 H HIS 60 1.644 -7.792 2.341 466 HA HIS 60 HA HIS 60 0.188 -9.536 0.512 467 HB2 HIS 60 2HB HIS 60 0.715 -10.273 3.278 468 HB3 HIS 60 1HB HIS 60 -1.003 -9.917 3.146 469 HD1 HIS 60 HD1 HIS 60 1.634 -12.149 1.566 470 HD2 HIS 60 HD2 HIS 60 -2.493 -11.884 1.922 471 HE1 HIS 60 HE1 HIS 60 0.740 -14.301 0.640 472 HE2 HIS 60 HE2 HIS 60 -1.763 -14.000 0.642 473 HA PRO 61 HA PRO 61 -2.553 -5.980 0.577 474 HB2 PRO 61 2HB PRO 61 -4.896 -7.135 -0.340 475 HB3 PRO 61 1HB PRO 61 -3.514 -6.779 -1.396 476 HG2 PRO 61 2HG PRO 61 -4.296 -9.379 -0.135 477 HG3 PRO 61 1HG PRO 61 -3.737 -9.051 -1.787 478 HD2 PRO 61 2HD PRO 61 -2.078 -10.047 0.120 479 HD3 PRO 61 1HD PRO 61 -1.488 -8.958 -1.159 480 H ALA 62 H ALA 62 -3.264 -8.900 2.369 481 HA ALA 62 HA ALA 62 -5.322 -8.071 4.071 482 HB1 ALA 62 1HB ALA 62 -4.439 -10.378 4.029 483 HB2 ALA 62 2HB ALA 62 -4.425 -9.732 5.673 484 HB3 ALA 62 3HB ALA 62 -2.925 -9.821 4.744 485 H ASN 63 H ASN 63 -1.831 -7.537 4.235 486 HA ASN 63 HA ASN 63 -1.833 -6.052 6.710 487 HB2 ASN 63 2HB ASN 63 0.365 -6.221 4.590 488 HB3 ASN 63 1HB ASN 63 0.562 -5.736 6.272 489 HD21 ASN 63 1HD2 ASN 63 2.124 -7.319 6.660 490 HD22 ASN 63 2HD2 ASN 63 1.746 -8.998 6.752 491 H PHE 64 H PHE 64 -2.152 -5.368 3.341 492 HA PHE 64 HA PHE 64 -1.926 -2.444 3.665 493 HB2 PHE 64 2HB PHE 64 -1.805 -4.283 1.230 494 HB3 PHE 64 1HB PHE 64 -1.912 -2.530 1.088 495 HD1 PHE 64 HD1 PHE 64 0.186 -5.182 2.710 496 HD2 PHE 64 HD2 PHE 64 0.098 -1.300 0.936 497 HE1 PHE 64 HE1 PHE 64 2.616 -5.058 2.867 498 HE2 PHE 64 HE2 PHE 64 2.541 -1.175 1.126 499 HZ PHE 64 HZ PHE 64 3.807 -3.060 2.091 500 H ALA 65 H ALA 65 -4.235 -4.126 4.539 501 HA ALA 65 HA ALA 65 -6.445 -4.103 2.812 502 HB1 ALA 65 1HB ALA 65 -7.805 -4.421 4.842 503 HB2 ALA 65 2HB ALA 65 -6.440 -3.913 5.843 504 HB3 ALA 65 3HB ALA 65 -6.338 -5.404 4.905 505 H THR 66 H THR 66 -5.127 -1.579 4.859 506 HA THR 66 HA THR 66 -6.505 0.461 3.299 507 HB THR 66 HB THR 66 -6.849 1.909 5.366 508 HG1 THR 66 HG1 THR 66 -6.492 -0.544 6.762 509 HG21 THR 66 1HG2 THR 66 -8.832 0.800 4.399 510 HG22 THR 66 2HG2 THR 66 -8.955 0.910 6.156 511 HG23 THR 66 3HG2 THR 66 -8.529 -0.625 5.396 512 H VAL 67 H VAL 67 -5.339 2.650 3.820 513 HA VAL 67 HA VAL 67 -2.490 2.231 3.832 514 HB VAL 67 HB VAL 67 -4.106 4.802 3.841 515 HG11 VAL 67 1HG1 VAL 67 -1.125 4.437 3.350 516 HG12 VAL 67 2HG1 VAL 67 -1.859 5.252 4.733 517 HG13 VAL 67 3HG1 VAL 67 -2.029 5.936 3.116 518 HG21 VAL 67 1HG2 VAL 67 -3.565 4.873 1.423 519 HG22 VAL 67 2HG2 VAL 67 -4.449 3.400 1.828 520 HG23 VAL 67 3HG2 VAL 67 -2.705 3.333 1.561 521 H GLN 68 H GLN 68 -4.876 3.078 6.237 522 HA GLN 68 HA GLN 68 -3.184 3.821 8.369 523 HB2 GLN 68 2HB GLN 68 -5.687 4.068 8.368 524 HB3 GLN 68 1HB GLN 68 -5.836 2.321 8.524 525 HG2 GLN 68 2HG GLN 68 -4.519 2.530 10.705 526 HG3 GLN 68 1HG GLN 68 -4.718 4.275 10.561 527 HE21 GLN 68 1HE2 GLN 68 -6.876 5.143 10.715 528 HE22 GLN 68 2HE2 GLN 68 -8.125 4.255 11.508 529 H SER 69 H SER 69 -4.351 0.648 7.251 530 HA SER 69 HA SER 69 -3.170 -0.976 9.250 531 HB2 SER 69 2HB SER 69 -3.893 -1.709 6.375 532 HB3 SER 69 1HB SER 69 -3.543 -2.862 7.662 533 HG SER 69 HG SER 69 -5.349 -1.819 8.796 534 H MET 70 H MET 70 -2.031 0.134 6.067 535 HA MET 70 HA MET 70 0.183 -1.684 5.971 536 HB2 MET 70 2HB MET 70 0.623 -0.850 3.802 537 HB3 MET 70 1HB MET 70 -1.132 -0.790 3.968 538 HG2 MET 70 2HG MET 70 -1.019 1.626 4.333 539 HG3 MET 70 1HG MET 70 0.736 1.584 4.243 540 HE1 MET 70 1HE MET 70 -1.869 -0.411 1.998 541 HE2 MET 70 2HE MET 70 -2.000 0.668 0.610 542 HE3 MET 70 3HE MET 70 -2.635 1.173 2.176 543 H VAL 71 H VAL 71 -0.192 1.739 6.890 544 HA VAL 71 HA VAL 71 2.603 2.331 7.053 545 HB VAL 71 HB VAL 71 0.822 4.107 6.928 546 HG11 VAL 71 1HG1 VAL 71 -0.341 4.870 8.965 547 HG12 VAL 71 2HG1 VAL 71 0.342 3.514 9.862 548 HG13 VAL 71 3HG1 VAL 71 -0.792 3.213 8.548 549 HG21 VAL 71 1HG2 VAL 71 1.994 5.737 8.384 550 HG22 VAL 71 2HG2 VAL 71 3.138 4.692 7.538 551 HG23 VAL 71 3HG2 VAL 71 2.776 4.405 9.241 552 H ALA 72 H ALA 72 0.222 1.057 9.290 553 HA ALA 72 HA ALA 72 1.759 1.130 11.684 554 HB1 ALA 72 1HB ALA 72 -0.703 0.982 11.709 555 HB2 ALA 72 2HB ALA 72 0.012 -0.380 12.582 556 HB3 ALA 72 3HB ALA 72 -0.620 -0.609 10.949 557 H LEU 73 H LEU 73 1.281 -1.257 9.117 558 HA LEU 73 HA LEU 73 2.569 -3.498 10.182 559 HB2 LEU 73 2HB LEU 73 1.380 -4.010 8.248 560 HB3 LEU 73 1HB LEU 73 1.776 -2.485 7.479 561 HG LEU 73 HG LEU 73 4.155 -3.476 7.184 562 HD11 LEU 73 1HD1 LEU 73 3.987 -5.415 8.627 563 HD12 LEU 73 2HD1 LEU 73 4.316 -5.908 6.966 564 HD13 LEU 73 3HD1 LEU 73 2.688 -6.084 7.631 565 HD21 LEU 73 1HD2 LEU 73 3.540 -4.485 5.047 566 HD22 LEU 73 2HD2 LEU 73 2.672 -2.983 5.359 567 HD23 LEU 73 3HD2 LEU 73 1.850 -4.529 5.557 568 H VAL 74 H VAL 74 3.790 -0.684 8.376 569 HA VAL 74 HA VAL 74 6.440 -1.589 8.050 570 HB VAL 74 HB VAL 74 5.501 1.314 8.167 571 HG11 VAL 74 1HG1 VAL 74 7.943 1.142 8.452 572 HG12 VAL 74 2HG1 VAL 74 7.565 1.795 6.859 573 HG13 VAL 74 3HG1 VAL 74 8.062 0.110 7.021 574 HG21 VAL 74 1HG2 VAL 74 5.414 1.183 5.683 575 HG22 VAL 74 2HG2 VAL 74 4.301 0.036 6.423 576 HG23 VAL 74 3HG2 VAL 74 5.829 -0.533 5.755 577 H GLN 75 H GLN 75 4.847 0.141 10.687 578 HA GLN 75 HA GLN 75 7.190 0.607 12.262 579 HB2 GLN 75 2HB GLN 75 4.313 0.412 13.240 580 HB3 GLN 75 1HB GLN 75 5.646 1.234 14.039 581 HG2 GLN 75 2HG GLN 75 4.203 2.062 11.510 582 HG3 GLN 75 1HG GLN 75 4.254 2.908 13.052 583 HE21 GLN 75 1HE2 GLN 75 5.923 2.311 10.053 584 HE22 GLN 75 2HE2 GLN 75 7.196 3.457 10.287 585 H ARG 76 H ARG 76 5.131 -2.168 11.767 586 HA ARG 76 HA ARG 76 5.922 -3.604 14.164 587 HB2 ARG 76 2HB ARG 76 4.552 -4.755 11.692 588 HB3 ARG 76 1HB ARG 76 4.638 -5.487 13.295 589 HG2 ARG 76 2HG ARG 76 3.290 -3.578 14.183 590 HG3 ARG 76 1HG ARG 76 3.138 -2.975 12.536 591 HD2 ARG 76 2HD ARG 76 1.131 -4.155 12.986 592 HD3 ARG 76 1HD ARG 76 2.083 -5.217 11.941 593 HE ARG 76 HE ARG 76 2.536 -5.738 14.727 594 HH11 ARG 76 1HH1 ARG 76 0.315 -6.430 12.099 595 HH12 ARG 76 2HH1 ARG 76 -0.267 -7.890 12.822 596 HH21 ARG 76 1HH2 ARG 76 1.729 -7.606 15.687 597 HH22 ARG 76 2HH2 ARG 76 0.535 -8.561 14.868 598 H LEU 77 H LEU 77 6.839 -3.648 10.707 599 HA LEU 77 HA LEU 77 8.673 -5.847 10.965 600 HB2 LEU 77 2HB LEU 77 9.429 -5.303 8.667 601 HB3 LEU 77 1HB LEU 77 7.695 -5.497 8.808 602 HG LEU 77 HG LEU 77 7.581 -2.915 8.872 603 HD11 LEU 77 1HD1 LEU 77 9.371 -1.709 7.652 604 HD12 LEU 77 2HD1 LEU 77 10.398 -3.141 7.787 605 HD13 LEU 77 3HD1 LEU 77 9.857 -2.293 9.244 606 HD21 LEU 77 1HD2 LEU 77 6.748 -4.223 7.017 607 HD22 LEU 77 2HD2 LEU 77 8.360 -4.305 6.306 608 HD23 LEU 77 3HD2 LEU 77 7.526 -2.753 6.428 609 H LYS 78 H LYS 78 8.864 -2.456 11.567 610 HA LYS 78 HA LYS 78 11.686 -2.131 11.758 611 HB2 LYS 78 2HB LYS 78 9.338 -0.758 13.119 612 HB3 LYS 78 1HB LYS 78 10.995 -0.260 13.408 613 HG2 LYS 78 2HG LYS 78 9.588 -0.216 10.719 614 HG3 LYS 78 1HG LYS 78 9.858 1.182 11.769 615 HD2 LYS 78 2HD LYS 78 12.305 0.846 11.576 616 HD3 LYS 78 1HD LYS 78 12.032 -0.524 10.491 617 HE2 LYS 78 2HE LYS 78 11.023 0.948 8.835 618 HE3 LYS 78 1HE LYS 78 11.134 2.322 9.941 619 HZ1 LYS 78 1HZ LYS 78 13.470 2.266 9.830 620 HZ2 LYS 78 2HZ LYS 78 12.906 2.199 8.249 621 HZ3 LYS 78 3HZ LYS 78 13.483 0.805 8.990 622 H ALA 79 H ALA 79 9.165 -3.052 14.079 623 HA ALA 79 HA ALA 79 10.859 -3.517 16.330 624 HB1 ALA 79 1HB ALA 79 8.035 -4.498 15.759 625 HB2 ALA 79 2HB ALA 79 8.462 -2.992 16.574 626 HB3 ALA 79 3HB ALA 79 8.837 -4.541 17.333 627 H HIS 80 H HIS 80 10.088 -5.306 13.511 628 HA HIS 80 HA HIS 80 10.845 -7.923 14.511 629 HB2 HIS 80 2HB HIS 80 9.094 -7.270 12.626 630 HB3 HIS 80 1HB HIS 80 10.504 -7.235 11.578 631 HD1 HIS 80 HD1 HIS 80 7.940 -9.406 12.788 632 HD2 HIS 80 HD2 HIS 80 11.908 -9.919 11.666 633 HE1 HIS 80 HE1 HIS 80 8.193 -11.864 12.334 634 HE2 HIS 80 HE2 HIS 80 10.630 -12.162 11.782 635 HA PRO 81 HA PRO 81 15.132 -6.479 13.984 636 HB2 PRO 81 2HB PRO 81 16.442 -8.700 14.963 637 HB3 PRO 81 1HB PRO 81 15.572 -7.556 16.006 638 HG2 PRO 81 2HG PRO 81 14.624 -10.198 14.924 639 HG3 PRO 81 1HG PRO 81 14.512 -9.561 16.581 640 HD2 PRO 81 2HD PRO 81 12.407 -9.448 14.883 641 HD3 PRO 81 1HD PRO 81 12.713 -8.152 16.066 642 H GLU 82 H GLU 82 13.851 -9.254 12.328 643 HA GLU 82 HA GLU 82 16.171 -9.891 10.756 644 HB2 GLU 82 2HB GLU 82 13.237 -10.546 10.285 645 HB3 GLU 82 1HB GLU 82 14.582 -11.250 9.388 646 HG2 GLU 82 2HG GLU 82 15.431 -12.266 11.489 647 HG3 GLU 82 1HG GLU 82 14.060 -11.585 12.365 648 H GLN 83 H GLN 83 13.299 -7.870 10.295 649 HA GLN 83 HA GLN 83 13.951 -7.306 7.494 650 HB2 GLN 83 2HB GLN 83 11.600 -6.342 9.170 651 HB3 GLN 83 1HB GLN 83 11.750 -6.248 7.413 652 HG2 GLN 83 2HG GLN 83 11.797 -8.761 7.350 653 HG3 GLN 83 1HG GLN 83 11.476 -8.768 9.090 654 HE21 GLN 83 1HE2 GLN 83 9.404 -8.222 9.818 655 HE22 GLN 83 2HE2 GLN 83 8.056 -8.067 8.757 656 H GLY 84 H GLY 84 13.331 -5.513 10.508 657 HA2 GLY 84 2HA GLY 84 14.329 -3.003 9.444 658 HA3 GLY 84 1HA GLY 84 13.682 -3.292 11.049 659 H GLY 85 H GLY 85 16.165 -5.434 9.931 660 HA2 GLY 85 2HA GLY 85 17.923 -4.687 12.080 661 HA3 GLY 85 1HA GLY 85 18.168 -5.958 10.897 662 H ALA 86 H ALA 86 18.204 -4.673 8.508 663 HA ALA 86 HA ALA 86 19.899 -2.327 8.522 664 HB1 ALA 86 1HB ALA 86 21.053 -4.953 7.485 665 HB2 ALA 86 2HB ALA 86 21.579 -4.100 8.936 666 HB3 ALA 86 3HB ALA 86 21.815 -3.363 7.352 667 H ALA 87 H ALA 87 20.531 -1.704 6.261 668 HA ALA 87 HA ALA 87 19.003 -2.774 4.033 669 HB1 ALA 87 1HB ALA 87 17.955 -0.588 3.468 670 HB2 ALA 87 2HB ALA 87 18.592 0.101 4.966 671 HB3 ALA 87 3HB ALA 87 17.391 -1.189 5.028 672 H LEU 88 H LEU 88 20.031 -2.343 2.048 673 HA LEU 88 HA LEU 88 22.194 -0.430 1.880 674 HB2 LEU 88 2HB LEU 88 23.961 -1.914 1.289 675 HB3 LEU 88 1HB LEU 88 23.328 -2.426 2.842 676 HG LEU 88 HG LEU 88 22.693 -3.776 0.189 677 HD11 LEU 88 1HD1 LEU 88 25.045 -4.021 0.700 678 HD12 LEU 88 2HD1 LEU 88 24.212 -5.560 0.897 679 HD13 LEU 88 3HD1 LEU 88 24.669 -4.616 2.319 680 HD21 LEU 88 1HD2 LEU 88 22.104 -4.726 3.014 681 HD22 LEU 88 2HD2 LEU 88 21.768 -5.616 1.523 682 HD23 LEU 88 3HD2 LEU 88 20.925 -4.103 1.861 683 H GLU 89 H GLU 89 23.087 -0.218 -0.271 684 HA GLU 89 HA GLU 89 21.269 -1.047 -2.459 685 HB2 GLU 89 2HB GLU 89 23.124 1.386 -2.296 686 HB3 GLU 89 1HB GLU 89 22.103 0.967 -3.670 687 HG2 GLU 89 2HG GLU 89 20.087 1.316 -2.326 688 HG3 GLU 89 1HG GLU 89 21.068 1.656 -0.900 689 H282 PNS 101 3H28 PNS 136 0.987 -9.721 -2.893 690 H281 PNS 101 2H28 PNS 136 0.928 -9.601 -4.651 691 H303 PNS 101 3H51 PNS 136 3.218 -8.670 -3.064 692 H302 PNS 101 2H51 PNS 136 4.511 -9.430 -3.984 693 H301 PNS 101 1H51 PNS 136 3.151 -8.684 -4.832 694 H313 PNS 101 3H52 PNS 136 4.005 -11.639 -5.234 695 H312 PNS 101 2H52 PNS 136 2.687 -10.785 -6.036 696 H311 PNS 101 1H52 PNS 136 2.367 -12.298 -5.161 697 H32 PNS 101 H32 PNS 136 2.913 -10.841 -1.771 698 H33 PNS 101 H33 PNS 136 1.405 -12.400 -2.403 699 H36 PNS 101 H36 PNS 136 4.172 -13.689 -2.118 700 H372 PNS 101 3H37 PNS 136 7.006 -12.895 -2.597 701 H371 PNS 101 2H37 PNS 136 6.490 -13.897 -1.245 702 H382 PNS 101 3H38 PNS 136 7.503 -15.241 -3.019 703 H381 PNS 101 2H38 PNS 136 5.817 -15.678 -2.745 704 H41 PNS 101 H41 PNS 136 6.463 -12.757 -4.575 705 H422 PNS 101 3H42 PNS 136 4.971 -13.472 -6.819 706 H421 PNS 101 2H42 PNS 136 6.661 -13.812 -7.193 707 H431 PNS 101 2H43 PNS 136 5.535 -11.125 -6.336 708 H432 PNS 101 3H43 PNS 136 7.236 -11.457 -6.707 709 H44 PNS 101 H44 PNS 136 6.119 -10.145 -8.918 Start of MODEL 5 1 H1 MET 1 1H MET 1 2.585 16.385 0.338 2 H2 MET 1 2H MET 1 1.242 17.393 0.196 3 H3 MET 1 3H MET 1 2.057 16.867 -1.191 4 HA MET 1 HA MET 1 0.590 15.157 0.715 5 HB2 MET 1 2HB MET 1 -0.136 15.899 -2.154 6 HB3 MET 1 1HB MET 1 -1.047 14.816 -1.105 7 HG2 MET 1 2HG MET 1 -2.152 16.948 -1.169 8 HG3 MET 1 1HG MET 1 -1.454 16.732 0.441 9 HE1 MET 1 1HE MET 1 -1.067 20.612 -0.088 10 HE2 MET 1 2HE MET 1 -1.698 19.344 0.961 11 HE3 MET 1 3HE MET 1 -2.417 19.612 -0.627 12 H LEU 2 H LEU 2 2.031 13.550 0.938 13 HA LEU 2 HA LEU 2 3.681 12.621 -1.300 14 HB2 LEU 2 2HB LEU 2 4.690 13.256 0.886 15 HB3 LEU 2 1HB LEU 2 3.763 11.993 1.674 16 HG LEU 2 HG LEU 2 5.023 10.274 0.362 17 HD11 LEU 2 1HD1 LEU 2 5.595 11.593 -1.615 18 HD12 LEU 2 2HD1 LEU 2 7.039 10.895 -0.887 19 HD13 LEU 2 3HD1 LEU 2 6.675 12.606 -0.651 20 HD21 LEU 2 1HD2 LEU 2 5.768 10.850 2.611 21 HD22 LEU 2 2HD2 LEU 2 6.769 12.158 1.972 22 HD23 LEU 2 3HD2 LEU 2 7.144 10.479 1.576 23 H GLU 3 H GLU 3 1.176 11.496 0.935 24 HA GLU 3 HA GLU 3 1.211 8.739 0.193 25 HB2 GLU 3 2HB GLU 3 -0.731 8.473 1.518 26 HB3 GLU 3 1HB GLU 3 0.224 9.694 2.339 27 HG2 GLU 3 2HG GLU 3 -2.117 10.320 0.522 28 HG3 GLU 3 1HG GLU 3 -2.245 10.118 2.253 29 H SER 4 H SER 4 -0.258 11.584 -1.138 30 HA SER 4 HA SER 4 -2.212 10.444 -2.839 31 HB2 SER 4 2HB SER 4 -0.621 13.031 -3.183 32 HB3 SER 4 1HB SER 4 -2.119 12.625 -4.027 33 HG SER 4 HG SER 4 -1.843 12.820 -1.210 34 H LYS 5 H LYS 5 1.238 10.490 -3.024 35 HA LYS 5 HA LYS 5 1.486 10.237 -5.880 36 HB2 LYS 5 2HB LYS 5 3.225 11.283 -4.416 37 HB3 LYS 5 1HB LYS 5 3.555 9.702 -3.718 38 HG2 LYS 5 2HG LYS 5 4.237 8.883 -5.974 39 HG3 LYS 5 1HG LYS 5 3.962 10.501 -6.623 40 HD2 LYS 5 2HD LYS 5 6.020 9.711 -4.530 41 HD3 LYS 5 1HD LYS 5 6.344 10.159 -6.203 42 HE2 LYS 5 2HE LYS 5 5.278 11.971 -4.015 43 HE3 LYS 5 1HE LYS 5 6.874 12.034 -4.759 44 HZ1 LYS 5 1HZ LYS 5 5.752 12.534 -6.887 45 HZ2 LYS 5 2HZ LYS 5 5.526 13.719 -5.707 46 HZ3 LYS 5 3HZ LYS 5 4.280 12.636 -6.058 47 H LEU 6 H LEU 6 1.624 7.961 -3.079 48 HA LEU 6 HA LEU 6 2.335 5.653 -4.578 49 HB2 LEU 6 2HB LEU 6 1.754 4.317 -2.644 50 HB3 LEU 6 1HB LEU 6 2.582 5.762 -2.124 51 HG LEU 6 HG LEU 6 0.015 6.593 -1.784 52 HD11 LEU 6 1HD1 LEU 6 -0.150 3.622 -1.209 53 HD12 LEU 6 2HD1 LEU 6 -1.030 4.506 -2.457 54 HD13 LEU 6 3HD1 LEU 6 -1.354 4.834 -0.759 55 HD21 LEU 6 1HD2 LEU 6 1.820 6.708 -0.099 56 HD22 LEU 6 2HD2 LEU 6 1.520 5.022 0.334 57 HD23 LEU 6 3HD2 LEU 6 0.268 6.248 0.598 58 H ILE 7 H ILE 7 -0.738 7.172 -3.809 59 HA ILE 7 HA ILE 7 -2.472 5.191 -4.870 60 HB ILE 7 HB ILE 7 -2.906 8.203 -4.676 61 HG12 ILE 7 2HG1 ILE 7 -3.823 6.086 -2.678 62 HG13 ILE 7 1HG1 ILE 7 -2.344 7.018 -2.478 63 HG21 ILE 7 1HG2 ILE 7 -4.489 7.080 -6.227 64 HG22 ILE 7 2HG2 ILE 7 -5.308 7.707 -4.792 65 HG23 ILE 7 3HG2 ILE 7 -4.969 5.981 -4.927 66 HD11 ILE 7 1HD1 ILE 7 -3.667 9.086 -2.406 67 HD12 ILE 7 2HD1 ILE 7 -4.127 7.943 -1.144 68 HD13 ILE 7 3HD1 ILE 7 -5.147 8.133 -2.570 69 H ASN 8 H ASN 8 -1.328 8.307 -6.206 70 HA ASN 8 HA ASN 8 -2.460 8.205 -8.741 71 HB2 ASN 8 2HB ASN 8 -1.473 10.240 -7.726 72 HB3 ASN 8 1HB ASN 8 0.143 9.561 -7.895 73 HD21 ASN 8 1HD2 ASN 8 1.070 9.436 -10.006 74 HD22 ASN 8 2HD2 ASN 8 0.438 10.369 -11.318 75 H HIS 9 H HIS 9 0.436 6.697 -7.558 76 HA HIS 9 HA HIS 9 1.933 6.251 -9.854 77 HB2 HIS 9 2HB HIS 9 2.686 5.905 -7.482 78 HB3 HIS 9 1HB HIS 9 1.736 4.431 -7.420 79 HD1 HIS 9 HD1 HIS 9 5.074 5.472 -7.862 80 HD2 HIS 9 HD2 HIS 9 2.727 2.563 -9.666 81 HE1 HIS 9 HE1 HIS 9 6.689 3.835 -8.845 82 HE2 HIS 9 HE2 HIS 9 5.235 1.945 -9.659 83 H ILE 10 H ILE 10 -0.165 3.780 -8.232 84 HA ILE 10 HA ILE 10 -0.304 2.241 -10.696 85 HB ILE 10 HB ILE 10 -1.720 0.668 -9.496 86 HG12 ILE 10 2HG1 ILE 10 -1.365 1.941 -6.810 87 HG13 ILE 10 1HG1 ILE 10 -2.572 2.672 -7.848 88 HG21 ILE 10 1HG2 ILE 10 0.801 1.335 -7.971 89 HG22 ILE 10 2HG2 ILE 10 0.668 0.313 -9.402 90 HG23 ILE 10 3HG2 ILE 10 -0.071 -0.199 -7.883 91 HD11 ILE 10 1HD1 ILE 10 -2.445 -0.209 -7.042 92 HD12 ILE 10 2HD1 ILE 10 -3.677 0.567 -8.046 93 HD13 ILE 10 3HD1 ILE 10 -3.494 1.030 -6.354 94 H ALA 11 H ALA 11 -2.286 4.627 -9.029 95 HA ALA 11 HA ALA 11 -4.801 4.195 -10.117 96 HB1 ALA 11 1HB ALA 11 -4.330 5.960 -8.454 97 HB2 ALA 11 2HB ALA 11 -5.229 6.584 -9.837 98 HB3 ALA 11 3HB ALA 11 -3.501 6.900 -9.696 99 H THR 12 H THR 12 -1.896 5.238 -11.717 100 HA THR 12 HA THR 12 -2.928 6.335 -14.099 101 HB THR 12 HB THR 12 -0.373 4.694 -13.831 102 HG1 THR 12 HG1 THR 12 0.024 6.196 -12.353 103 HG21 THR 12 1HG2 THR 12 -0.938 5.306 -16.167 104 HG22 THR 12 2HG2 THR 12 0.486 6.187 -15.607 105 HG23 THR 12 3HG2 THR 12 -1.079 6.999 -15.688 106 H GLN 13 H GLN 13 -2.185 2.966 -13.154 107 HA GLN 13 HA GLN 13 -3.042 1.917 -15.800 108 HB2 GLN 13 2HB GLN 13 -1.921 -0.194 -15.079 109 HB3 GLN 13 1HB GLN 13 -0.828 1.187 -15.053 110 HG2 GLN 13 2HG GLN 13 -1.252 1.362 -12.563 111 HG3 GLN 13 1HG GLN 13 -2.110 -0.173 -12.670 112 HE21 GLN 13 1HE2 GLN 13 0.993 1.401 -12.932 113 HE22 GLN 13 2HE2 GLN 13 1.958 -0.027 -12.817 114 H PHE 14 H PHE 14 -4.236 2.374 -12.677 115 HA PHE 14 HA PHE 14 -6.077 0.072 -12.756 116 HB2 PHE 14 2HB PHE 14 -4.635 1.479 -10.527 117 HB3 PHE 14 1HB PHE 14 -6.286 0.975 -10.161 118 HD1 PHE 14 HD1 PHE 14 -5.432 -0.571 -8.410 119 HD2 PHE 14 HD2 PHE 14 -4.228 -1.034 -12.495 120 HE1 PHE 14 HE1 PHE 14 -4.685 -2.865 -7.942 121 HE2 PHE 14 HE2 PHE 14 -3.460 -3.309 -12.005 122 HZ PHE 14 HZ PHE 14 -3.687 -4.236 -9.732 123 H LEU 15 H LEU 15 -5.981 3.596 -12.686 124 HA LEU 15 HA LEU 15 -8.953 3.706 -12.478 125 HB2 LEU 15 2HB LEU 15 -7.058 5.620 -11.069 126 HB3 LEU 15 1HB LEU 15 -8.810 5.612 -10.972 127 HG LEU 15 HG LEU 15 -6.941 3.526 -9.787 128 HD11 LEU 15 1HD1 LEU 15 -8.653 5.619 -8.407 129 HD12 LEU 15 2HD1 LEU 15 -6.904 5.693 -8.638 130 HD13 LEU 15 3HD1 LEU 15 -7.599 4.425 -7.647 131 HD21 LEU 15 1HD2 LEU 15 -9.043 2.466 -10.473 132 HD22 LEU 15 2HD2 LEU 15 -9.978 3.684 -9.602 133 HD23 LEU 15 3HD2 LEU 15 -8.937 2.564 -8.718 134 H ASP 16 H ASP 16 -6.864 4.180 -14.766 135 HA ASP 16 HA ASP 16 -6.744 5.489 -16.638 136 HB2 ASP 16 2HB ASP 16 -9.276 5.445 -16.476 137 HB3 ASP 16 1HB ASP 16 -9.213 6.921 -15.536 138 H GLY 17 H GLY 17 -5.389 6.251 -14.123 139 HA2 GLY 17 2HA GLY 17 -3.809 7.871 -13.618 140 HA3 GLY 17 1HA GLY 17 -4.475 8.925 -14.848 141 H GLU 18 H GLU 18 -7.036 7.921 -12.957 142 HA GLU 18 HA GLU 18 -7.135 10.553 -11.621 143 HB2 GLU 18 2HB GLU 18 -9.432 10.505 -11.910 144 HB3 GLU 18 1HB GLU 18 -9.026 9.372 -13.197 145 HG2 GLU 18 2HG GLU 18 -9.543 7.488 -11.663 146 HG3 GLU 18 1HG GLU 18 -9.987 8.643 -10.407 147 H LYS 19 H LYS 19 -7.543 10.724 -9.366 148 HA LYS 19 HA LYS 19 -7.230 8.264 -7.742 149 HB2 LYS 19 2HB LYS 19 -7.021 11.159 -6.857 150 HB3 LYS 19 1HB LYS 19 -6.704 9.733 -5.874 151 HG2 LYS 19 2HG LYS 19 -4.889 9.161 -7.639 152 HG3 LYS 19 1HG LYS 19 -5.058 10.840 -8.147 153 HD2 LYS 19 2HD LYS 19 -4.446 9.997 -5.306 154 HD3 LYS 19 1HD LYS 19 -3.197 10.362 -6.488 155 HE2 LYS 19 2HE LYS 19 -3.474 12.313 -5.116 156 HE3 LYS 19 1HE LYS 19 -4.177 12.688 -6.685 157 HZ1 LYS 19 1HZ LYS 19 -5.530 13.460 -4.822 158 HZ2 LYS 19 2HZ LYS 19 -5.717 11.871 -4.282 159 HZ3 LYS 19 3HZ LYS 19 -6.357 12.339 -5.772 160 H ASP 20 H ASP 20 -9.193 7.395 -7.474 161 HA ASP 20 HA ASP 20 -11.160 8.665 -5.827 162 HB2 ASP 20 2HB ASP 20 -11.739 9.608 -8.106 163 HB3 ASP 20 1HB ASP 20 -12.064 7.968 -8.662 164 H GLY 21 H GLY 21 -12.038 7.110 -4.601 165 HA2 GLY 21 2HA GLY 21 -12.933 5.070 -3.946 166 HA3 GLY 21 1HA GLY 21 -12.574 4.392 -5.529 167 H LEU 22 H LEU 22 -9.789 5.189 -5.466 168 HA LEU 22 HA LEU 22 -8.602 3.446 -3.413 169 HB2 LEU 22 2HB LEU 22 -8.090 3.103 -5.872 170 HB3 LEU 22 1HB LEU 22 -7.407 4.710 -5.909 171 HG LEU 22 HG LEU 22 -5.689 3.907 -4.195 172 HD11 LEU 22 1HD1 LEU 22 -6.869 1.937 -3.353 173 HD12 LEU 22 2HD1 LEU 22 -5.294 1.493 -4.003 174 HD13 LEU 22 3HD1 LEU 22 -6.755 1.164 -4.937 175 HD21 LEU 22 1HD2 LEU 22 -5.689 2.589 -6.932 176 HD22 LEU 22 2HD2 LEU 22 -4.278 2.857 -5.903 177 HD23 LEU 22 3HD2 LEU 22 -5.155 4.234 -6.562 178 H ASP 23 H ASP 23 -8.241 4.672 -1.633 179 HA ASP 23 HA ASP 23 -6.627 7.106 -1.864 180 HB2 ASP 23 2HB ASP 23 -9.107 7.021 -0.072 181 HB3 ASP 23 1HB ASP 23 -7.972 8.355 -0.214 182 H SER 24 H SER 24 -5.946 7.767 0.437 183 HA SER 24 HA SER 24 -4.612 5.564 1.661 184 HB2 SER 24 2HB SER 24 -3.691 7.879 1.514 185 HB3 SER 24 1HB SER 24 -4.958 8.448 2.595 186 HG SER 24 HG SER 24 -2.768 7.881 3.449 187 H GLN 25 H GLN 25 -7.358 7.653 2.614 188 HA GLN 25 HA GLN 25 -7.843 6.262 5.119 189 HB2 GLN 25 2HB GLN 25 -9.173 8.615 3.766 190 HB3 GLN 25 1HB GLN 25 -9.888 7.863 5.186 191 HG2 GLN 25 2HG GLN 25 -8.600 9.828 5.803 192 HG3 GLN 25 1HG GLN 25 -7.892 8.381 6.497 193 HE21 GLN 25 1HE2 GLN 25 -5.823 7.773 5.885 194 HE22 GLN 25 2HE2 GLN 25 -4.793 8.770 4.923 195 H THR 26 H THR 26 -8.803 5.731 1.910 196 HA THR 26 HA THR 26 -11.485 4.799 2.384 197 HB THR 26 HB THR 26 -9.695 4.629 -0.078 198 HG1 THR 26 HG1 THR 26 -11.142 6.295 -0.765 199 HG21 THR 26 1HG2 THR 26 -11.339 2.817 -0.217 200 HG22 THR 26 2HG2 THR 26 -11.796 4.119 -1.320 201 HG23 THR 26 3HG2 THR 26 -12.634 3.932 0.222 202 HA PRO 27 HA PRO 27 -10.377 0.489 3.350 203 HB2 PRO 27 2HB PRO 27 -12.810 -0.668 2.911 204 HB3 PRO 27 1HB PRO 27 -12.478 0.316 4.361 205 HG2 PRO 27 2HG PRO 27 -13.847 1.141 1.810 206 HG3 PRO 27 1HG PRO 27 -14.347 1.443 3.488 207 HD2 PRO 27 2HD PRO 27 -13.073 3.329 2.043 208 HD3 PRO 27 1HD PRO 27 -12.772 3.159 3.784 209 H LEU 28 H LEU 28 -8.993 -0.057 1.729 210 HA LEU 28 HA LEU 28 -9.631 -0.145 -1.049 211 HB2 LEU 28 2HB LEU 28 -7.287 -1.465 0.374 212 HB3 LEU 28 1HB LEU 28 -7.374 -1.046 -1.330 213 HG LEU 28 HG LEU 28 -7.145 0.866 1.023 214 HD11 LEU 28 1HD1 LEU 28 -5.241 0.373 -1.281 215 HD12 LEU 28 2HD1 LEU 28 -5.035 -0.179 0.384 216 HD13 LEU 28 3HD1 LEU 28 -5.025 1.545 0.024 217 HD21 LEU 28 1HD2 LEU 28 -7.117 2.717 -0.630 218 HD22 LEU 28 2HD2 LEU 28 -8.674 1.904 -0.527 219 HD23 LEU 28 3HD2 LEU 28 -7.599 1.576 -1.890 220 H PHE 29 H PHE 29 -9.899 -2.390 1.565 221 HA PHE 29 HA PHE 29 -10.087 -4.765 -0.056 222 HB2 PHE 29 2HB PHE 29 -9.669 -4.204 2.755 223 HB3 PHE 29 1HB PHE 29 -11.052 -5.286 2.625 224 HD1 PHE 29 HD1 PHE 29 -7.571 -4.821 1.423 225 HD2 PHE 29 HD2 PHE 29 -10.665 -7.620 2.329 226 HE1 PHE 29 HE1 PHE 29 -6.045 -6.653 1.016 227 HE2 PHE 29 HE2 PHE 29 -9.104 -9.474 1.919 228 HZ PHE 29 HZ PHE 29 -6.780 -8.990 1.251 229 H GLU 30 H GLU 30 -12.375 -2.798 1.858 230 HA GLU 30 HA GLU 30 -14.608 -4.531 1.533 231 HB2 GLU 30 2HB GLU 30 -14.763 -1.538 2.096 232 HB3 GLU 30 1HB GLU 30 -15.956 -2.761 2.509 233 HG2 GLU 30 2HG GLU 30 -13.233 -2.347 3.761 234 HG3 GLU 30 1HG GLU 30 -14.804 -2.106 4.514 235 H LEU 31 H LEU 31 -13.313 -1.902 -0.362 236 HA LEU 31 HA LEU 31 -15.571 -1.940 -2.250 237 HB2 LEU 31 2HB LEU 31 -13.096 -0.186 -2.262 238 HB3 LEU 31 1HB LEU 31 -14.544 0.033 -3.232 239 HG LEU 31 HG LEU 31 -14.232 0.459 -0.243 240 HD11 LEU 31 1HD1 LEU 31 -14.995 2.386 -2.446 241 HD12 LEU 31 2HD1 LEU 31 -13.420 2.270 -1.658 242 HD13 LEU 31 3HD1 LEU 31 -14.832 2.761 -0.726 243 HD21 LEU 31 1HD2 LEU 31 -16.838 0.572 -1.813 244 HD22 LEU 31 2HD2 LEU 31 -16.613 1.062 -0.131 245 HD23 LEU 31 3HD2 LEU 31 -16.407 -0.625 -0.587 246 H ASN 32 H ASN 32 -12.318 -3.090 -1.878 247 HA ASN 32 HA ASN 32 -10.971 -4.468 -3.066 248 HB2 ASN 32 2HB ASN 32 -13.113 -5.831 -3.159 249 HB3 ASN 32 1HB ASN 32 -13.417 -5.156 -4.753 250 HD21 ASN 32 1HD2 ASN 32 -13.378 -7.238 -5.663 251 HD22 ASN 32 2HD2 ASN 32 -11.905 -8.105 -5.911 252 H ILE 33 H ILE 33 -10.822 -1.826 -3.762 253 HA ILE 33 HA ILE 33 -11.070 -1.324 -6.587 254 HB ILE 33 HB ILE 33 -9.572 0.289 -4.480 255 HG12 ILE 33 2HG1 ILE 33 -11.961 0.030 -3.892 256 HG13 ILE 33 1HG1 ILE 33 -11.625 1.689 -4.358 257 HG21 ILE 33 1HG2 ILE 33 -8.833 0.897 -6.734 258 HG22 ILE 33 2HG2 ILE 33 -9.811 2.202 -6.057 259 HG23 ILE 33 3HG2 ILE 33 -10.507 1.109 -7.253 260 HD11 ILE 33 1HD1 ILE 33 -13.733 0.979 -5.251 261 HD12 ILE 33 2HD1 ILE 33 -12.984 -0.402 -6.048 262 HD13 ILE 33 3HD1 ILE 33 -12.601 1.241 -6.577 263 H VAL 34 H VAL 34 -8.356 -1.919 -4.384 264 HA VAL 34 HA VAL 34 -6.511 -2.218 -6.663 265 HB VAL 34 HB VAL 34 -5.744 -0.712 -4.846 266 HG11 VAL 34 1HG1 VAL 34 -5.657 -3.156 -3.045 267 HG12 VAL 34 2HG1 VAL 34 -6.788 -1.810 -2.891 268 HG13 VAL 34 3HG1 VAL 34 -5.061 -1.543 -2.642 269 HG21 VAL 34 1HG2 VAL 34 -4.087 -1.866 -6.252 270 HG22 VAL 34 2HG2 VAL 34 -4.024 -3.200 -5.100 271 HG23 VAL 34 3HG2 VAL 34 -3.464 -1.598 -4.623 272 H ASP 35 H ASP 35 -5.656 -4.163 -7.197 273 HA ASP 35 HA ASP 35 -6.501 -6.588 -5.813 274 HB2 ASP 35 2HB ASP 35 -6.587 -6.446 -8.304 275 HB3 ASP 35 1HB ASP 35 -4.846 -6.286 -8.354 276 H SER 36 H SER 36 -4.814 -8.312 -5.542 277 HA SER 36 HA SER 36 -2.908 -7.401 -3.627 278 HB2 SER 36 2HB SER 36 -2.620 -9.632 -3.038 279 HB3 SER 36 1HB SER 36 -4.270 -9.616 -3.656 280 H ALA 37 H ALA 37 -2.721 -8.115 -6.995 281 HA ALA 37 HA ALA 37 0.027 -8.669 -7.341 282 HB1 ALA 37 1HB ALA 37 -1.660 -9.072 -9.103 283 HB2 ALA 37 2HB ALA 37 -0.339 -8.076 -9.713 284 HB3 ALA 37 3HB ALA 37 -1.887 -7.333 -9.302 285 H ALA 38 H ALA 38 -1.755 -5.615 -7.102 286 HA ALA 38 HA ALA 38 0.462 -3.934 -7.888 287 HB1 ALA 38 1HB ALA 38 -1.040 -2.057 -7.336 288 HB2 ALA 38 2HB ALA 38 -2.201 -3.198 -6.651 289 HB3 ALA 38 3HB ALA 38 -1.835 -3.243 -8.373 290 H ILE 39 H ILE 39 -0.521 -5.428 -4.935 291 HA ILE 39 HA ILE 39 0.331 -3.577 -2.986 292 HB ILE 39 HB ILE 39 0.339 -6.626 -2.855 293 HG12 ILE 39 2HG1 ILE 39 -1.889 -5.674 -3.321 294 HG13 ILE 39 1HG1 ILE 39 -1.843 -6.388 -1.718 295 HG21 ILE 39 1HG2 ILE 39 0.339 -6.410 -0.380 296 HG22 ILE 39 2HG2 ILE 39 0.537 -4.664 -0.537 297 HG23 ILE 39 3HG2 ILE 39 1.817 -5.746 -1.094 298 HD11 ILE 39 1HD1 ILE 39 -1.713 -3.448 -2.361 299 HD12 ILE 39 2HD1 ILE 39 -1.638 -4.156 -0.743 300 HD13 ILE 39 3HD1 ILE 39 -3.093 -4.337 -1.719 301 H PHE 40 H PHE 40 2.137 -5.936 -4.913 302 HA PHE 40 HA PHE 40 4.621 -5.816 -3.574 303 HB2 PHE 40 2HB PHE 40 4.005 -7.565 -5.249 304 HB3 PHE 40 1HB PHE 40 4.097 -6.365 -6.532 305 HD1 PHE 40 HD1 PHE 40 6.187 -7.935 -3.824 306 HD2 PHE 40 HD2 PHE 40 6.159 -6.096 -7.695 307 HE1 PHE 40 HE1 PHE 40 8.584 -8.429 -4.086 308 HE2 PHE 40 HE2 PHE 40 8.555 -6.596 -7.943 309 HZ PHE 40 HZ PHE 40 9.770 -7.759 -6.141 310 H ASP 41 H ASP 41 3.118 -3.602 -5.834 311 HA ASP 41 HA ASP 41 5.490 -1.964 -6.240 312 HB2 ASP 41 2HB ASP 41 3.812 -2.181 -8.039 313 HB3 ASP 41 1HB ASP 41 2.563 -1.535 -6.976 314 H LEU 42 H LEU 42 2.386 -1.728 -4.488 315 HA LEU 42 HA LEU 42 2.585 0.889 -3.494 316 HB2 LEU 42 2HB LEU 42 1.130 -1.528 -2.369 317 HB3 LEU 42 1HB LEU 42 0.875 0.112 -1.788 318 HG LEU 42 HG LEU 42 0.218 -0.924 -4.577 319 HD11 LEU 42 1HD1 LEU 42 -2.118 -0.560 -3.959 320 HD12 LEU 42 2HD1 LEU 42 -1.631 -0.078 -2.331 321 HD13 LEU 42 3HD1 LEU 42 -1.341 -1.727 -2.892 322 HD21 LEU 42 1HD2 LEU 42 0.951 1.402 -4.736 323 HD22 LEU 42 2HD2 LEU 42 -0.181 1.878 -3.468 324 HD23 LEU 42 3HD2 LEU 42 -0.784 1.283 -5.018 325 H VAL 43 H VAL 43 3.752 -2.156 -2.224 326 HA VAL 43 HA VAL 43 4.466 -1.259 0.368 327 HB VAL 43 HB VAL 43 4.074 -3.654 -0.183 328 HG11 VAL 43 1HG1 VAL 43 5.152 -3.793 -2.366 329 HG12 VAL 43 2HG1 VAL 43 5.755 -5.041 -1.276 330 HG13 VAL 43 3HG1 VAL 43 6.745 -3.618 -1.613 331 HG21 VAL 43 1HG2 VAL 43 5.275 -3.058 1.864 332 HG22 VAL 43 2HG2 VAL 43 6.812 -3.141 1.002 333 HG23 VAL 43 3HG2 VAL 43 5.845 -4.599 1.223 334 H ASP 44 H ASP 44 6.255 -1.586 -2.707 335 HA ASP 44 HA ASP 44 8.878 -1.100 -1.950 336 HB2 ASP 44 2HB ASP 44 8.177 -1.674 -4.272 337 HB3 ASP 44 1HB ASP 44 7.443 -0.102 -4.464 338 H PHE 45 H PHE 45 6.269 1.152 -2.598 339 HA PHE 45 HA PHE 45 7.731 3.519 -2.607 340 HB2 PHE 45 2HB PHE 45 5.393 3.190 -3.485 341 HB3 PHE 45 1HB PHE 45 4.812 3.142 -1.826 342 HD1 PHE 45 HD1 PHE 45 6.217 5.297 -4.474 343 HD2 PHE 45 HD2 PHE 45 4.610 5.205 -0.509 344 HE1 PHE 45 HE1 PHE 45 5.969 7.735 -4.503 345 HE2 PHE 45 HE2 PHE 45 4.372 7.648 -0.555 346 HZ PHE 45 HZ PHE 45 5.042 8.913 -2.545 347 H LEU 46 H LEU 46 5.978 1.857 0.031 348 HA LEU 46 HA LEU 46 6.432 3.734 2.104 349 HB2 LEU 46 2HB LEU 46 6.096 0.722 2.391 350 HB3 LEU 46 1HB LEU 46 5.863 1.907 3.660 351 HG LEU 46 HG LEU 46 4.099 1.460 1.221 352 HD11 LEU 46 1HD1 LEU 46 2.373 0.860 2.858 353 HD12 LEU 46 2HD1 LEU 46 3.527 1.085 4.175 354 HD13 LEU 46 3HD1 LEU 46 3.781 -0.190 2.981 355 HD21 LEU 46 1HD2 LEU 46 3.765 3.607 3.342 356 HD22 LEU 46 2HD2 LEU 46 2.610 3.220 2.064 357 HD23 LEU 46 3HD2 LEU 46 4.192 3.871 1.649 358 H ARG 47 H ARG 47 8.398 1.110 0.837 359 HA ARG 47 HA ARG 47 10.372 1.108 2.944 360 HB2 ARG 47 2HB ARG 47 10.181 -0.231 0.224 361 HB3 ARG 47 1HB ARG 47 11.706 -0.259 1.106 362 HG2 ARG 47 2HG ARG 47 10.524 -2.323 1.543 363 HG3 ARG 47 1HG ARG 47 10.551 -1.359 3.018 364 HD2 ARG 47 2HD ARG 47 8.170 -0.556 1.933 365 HD3 ARG 47 1HD ARG 47 8.264 -2.201 1.330 366 HE ARG 47 HE ARG 47 7.993 -3.012 3.453 367 HH11 ARG 47 1HH1 ARG 47 8.339 0.487 3.653 368 HH12 ARG 47 2HH1 ARG 47 7.798 0.563 5.295 369 HH21 ARG 47 1HH2 ARG 47 7.272 -2.887 5.582 370 HH22 ARG 47 2HH2 ARG 47 7.190 -1.359 6.393 371 H GLN 48 H GLN 48 9.906 2.732 -0.066 372 HA GLN 48 HA GLN 48 12.502 3.883 -0.428 373 HB2 GLN 48 2HB GLN 48 10.892 3.525 -2.280 374 HB3 GLN 48 1HB GLN 48 9.763 4.641 -1.531 375 HG2 GLN 48 2HG GLN 48 11.401 6.488 -1.899 376 HG3 GLN 48 1HG GLN 48 12.463 5.343 -2.711 377 HE21 GLN 48 1HE2 GLN 48 8.942 5.324 -3.066 378 HE22 GLN 48 2HE2 GLN 48 8.930 5.831 -4.713 379 H GLU 49 H GLU 49 9.500 4.852 1.179 380 HA GLU 49 HA GLU 49 10.302 7.544 1.821 381 HB2 GLU 49 2HB GLU 49 8.121 5.786 3.032 382 HB3 GLU 49 1HB GLU 49 8.310 7.508 3.337 383 HG2 GLU 49 2HG GLU 49 7.782 8.029 1.024 384 HG3 GLU 49 1HG GLU 49 7.712 6.310 0.622 385 H SER 50 H SER 50 9.922 4.541 3.692 386 HA SER 50 HA SER 50 10.843 5.822 6.143 387 HB2 SER 50 2HB SER 50 8.777 4.194 5.813 388 HB3 SER 50 1HB SER 50 9.983 2.926 6.000 389 HG SER 50 HG SER 50 9.724 5.046 7.850 390 H LYS 51 H LYS 51 12.393 4.298 3.647 391 HA LYS 51 HA LYS 51 14.475 3.545 3.260 392 HB2 LYS 51 2HB LYS 51 15.158 4.825 5.945 393 HB3 LYS 51 1HB LYS 51 16.298 4.438 4.664 394 HG2 LYS 51 2HG LYS 51 14.128 6.560 4.583 395 HG3 LYS 51 1HG LYS 51 15.872 6.819 4.649 396 HD2 LYS 51 2HD LYS 51 16.109 5.813 2.392 397 HD3 LYS 51 1HD LYS 51 14.363 5.547 2.329 398 HE2 LYS 51 2HE LYS 51 14.040 8.031 2.514 399 HE3 LYS 51 1HE LYS 51 15.791 8.230 2.415 400 HZ1 LYS 51 1HZ LYS 51 14.695 8.525 0.271 401 HZ2 LYS 51 2HZ LYS 51 14.101 6.948 0.342 402 HZ3 LYS 51 3HZ LYS 51 15.765 7.216 0.239 403 H VAL 52 H VAL 52 12.815 1.632 4.186 404 HA VAL 52 HA VAL 52 14.496 -0.123 5.913 405 HB VAL 52 HB VAL 52 12.595 0.828 7.240 406 HG11 VAL 52 1HG1 VAL 52 10.746 -0.594 5.297 407 HG12 VAL 52 2HG1 VAL 52 10.931 1.151 5.468 408 HG13 VAL 52 3HG1 VAL 52 10.255 0.204 6.795 409 HG21 VAL 52 1HG2 VAL 52 13.470 -1.383 7.870 410 HG22 VAL 52 2HG2 VAL 52 12.325 -2.165 6.782 411 HG23 VAL 52 3HG2 VAL 52 11.737 -1.284 8.194 412 H SER 53 H SER 53 14.137 -2.437 5.490 413 HA SER 53 HA SER 53 12.928 -3.063 2.859 414 HB2 SER 53 2HB SER 53 14.265 -5.262 3.153 415 HB3 SER 53 1HB SER 53 15.207 -3.803 2.859 416 HG SER 53 HG SER 53 14.780 -5.127 5.324 417 H ILE 54 H ILE 54 11.675 -5.027 2.703 418 HA ILE 54 HA ILE 54 10.365 -5.984 5.171 419 HB ILE 54 HB ILE 54 8.880 -4.339 4.002 420 HG12 ILE 54 2HG1 ILE 54 7.795 -7.194 3.890 421 HG13 ILE 54 1HG1 ILE 54 7.880 -6.203 5.337 422 HG21 ILE 54 1HG2 ILE 54 9.632 -4.672 1.690 423 HG22 ILE 54 2HG2 ILE 54 7.885 -4.868 1.809 424 HG23 ILE 54 3HG2 ILE 54 8.917 -6.289 1.669 425 HD11 ILE 54 1HD1 ILE 54 5.635 -6.263 4.462 426 HD12 ILE 54 2HD1 ILE 54 6.186 -5.650 2.904 427 HD13 ILE 54 3HD1 ILE 54 6.282 -4.626 4.341 428 H GLY 55 H GLY 55 9.739 -8.208 5.102 429 HA2 GLY 55 2HA GLY 55 10.951 -9.898 3.077 430 HA3 GLY 55 1HA GLY 55 9.975 -10.423 4.444 431 H MET 56 H MET 56 9.773 -11.439 1.814 432 HA MET 56 HA MET 56 7.804 -10.156 0.216 433 HB2 MET 56 2HB MET 56 9.704 -12.174 -0.146 434 HB3 MET 56 1HB MET 56 8.200 -13.060 -0.270 435 HG2 MET 56 2HG MET 56 8.680 -10.585 -1.915 436 HG3 MET 56 1HG MET 56 9.329 -12.143 -2.406 437 HE1 MET 56 1HE MET 56 6.320 -9.794 -2.866 438 HE2 MET 56 2HE MET 56 5.888 -10.438 -1.281 439 HE3 MET 56 3HE MET 56 4.919 -10.858 -2.691 440 H GLN 57 H GLN 57 7.624 -12.562 2.755 441 HA GLN 57 HA GLN 57 4.935 -13.466 2.215 442 HB2 GLN 57 2HB GLN 57 6.706 -13.812 4.678 443 HB3 GLN 57 1HB GLN 57 5.135 -14.578 4.479 444 HG2 GLN 57 2HG GLN 57 6.778 -16.229 3.970 445 HG3 GLN 57 1HG GLN 57 6.062 -15.743 2.436 446 HE21 GLN 57 1HE2 GLN 57 8.952 -15.553 4.435 447 HE22 GLN 57 2HE2 GLN 57 10.026 -15.102 3.157 448 H GLU 58 H GLU 58 6.405 -10.886 3.997 449 HA GLU 58 HA GLU 58 4.132 -10.192 5.650 450 HB2 GLU 58 2HB GLU 58 6.797 -8.825 5.091 451 HB3 GLU 58 1HB GLU 58 5.594 -8.189 6.209 452 HG2 GLU 58 2HG GLU 58 7.401 -9.373 7.375 453 HG3 GLU 58 1HG GLU 58 5.838 -10.128 7.642 454 H ILE 59 H ILE 59 5.426 -9.327 2.511 455 HA ILE 59 HA ILE 59 3.733 -7.093 1.959 456 HB ILE 59 HB ILE 59 4.875 -9.131 -0.008 457 HG12 ILE 59 2HG1 ILE 59 6.008 -6.440 0.863 458 HG13 ILE 59 1HG1 ILE 59 6.659 -8.018 1.289 459 HG21 ILE 59 1HG2 ILE 59 3.780 -6.343 -0.571 460 HG22 ILE 59 2HG2 ILE 59 3.000 -7.864 -1.004 461 HG23 ILE 59 3HG2 ILE 59 4.531 -7.416 -1.760 462 HD11 ILE 59 1HD1 ILE 59 7.963 -6.971 -0.451 463 HD12 ILE 59 2HD1 ILE 59 6.536 -6.838 -1.479 464 HD13 ILE 59 3HD1 ILE 59 7.184 -8.430 -1.064 465 H HIS 60 H HIS 60 1.641 -7.512 2.601 466 HA HIS 60 HA HIS 60 0.098 -9.485 1.075 467 HB2 HIS 60 2HB HIS 60 0.526 -9.551 4.029 468 HB3 HIS 60 1HB HIS 60 -1.172 -9.610 3.570 469 HD1 HIS 60 HD1 HIS 60 2.024 -11.447 2.517 470 HD2 HIS 60 HD2 HIS 60 -2.034 -12.104 3.160 471 HE1 HIS 60 HE1 HIS 60 1.682 -13.909 2.158 472 HE2 HIS 60 HE2 HIS 60 -0.806 -14.249 2.375 473 HA PRO 61 HA PRO 61 -2.671 -5.951 0.674 474 HB2 PRO 61 2HB PRO 61 -4.957 -7.332 -0.084 475 HB3 PRO 61 1HB PRO 61 -3.615 -7.002 -1.198 476 HG2 PRO 61 2HG PRO 61 -4.166 -9.498 0.380 477 HG3 PRO 61 1HG PRO 61 -3.732 -9.328 -1.336 478 HD2 PRO 61 2HD PRO 61 -1.869 -9.992 0.480 479 HD3 PRO 61 1HD PRO 61 -1.466 -8.884 -0.848 480 H ALA 62 H ALA 62 -3.294 -8.796 2.635 481 HA ALA 62 HA ALA 62 -5.397 -8.035 4.274 482 HB1 ALA 62 1HB ALA 62 -2.935 -9.629 5.049 483 HB2 ALA 62 2HB ALA 62 -4.391 -10.286 4.304 484 HB3 ALA 62 3HB ALA 62 -4.468 -9.609 5.931 485 H ASN 63 H ASN 63 -1.987 -7.186 4.418 486 HA ASN 63 HA ASN 63 -2.249 -5.547 6.823 487 HB2 ASN 63 2HB ASN 63 0.150 -6.014 4.991 488 HB3 ASN 63 1HB ASN 63 0.194 -5.157 6.529 489 HD21 ASN 63 1HD2 ASN 63 1.722 -7.476 5.773 490 HD22 ASN 63 2HD2 ASN 63 1.317 -8.737 6.881 491 H PHE 64 H PHE 64 -2.468 -5.147 3.395 492 HA PHE 64 HA PHE 64 -2.140 -2.199 3.571 493 HB2 PHE 64 2HB PHE 64 -1.977 -4.145 1.227 494 HB3 PHE 64 1HB PHE 64 -2.098 -2.402 0.994 495 HD1 PHE 64 HD1 PHE 64 -0.014 -4.984 2.699 496 HD2 PHE 64 HD2 PHE 64 -0.134 -1.092 0.965 497 HE1 PHE 64 HE1 PHE 64 2.403 -4.820 2.940 498 HE2 PHE 64 HE2 PHE 64 2.298 -0.927 1.225 499 HZ PHE 64 HZ PHE 64 3.570 -2.793 2.219 500 H ALA 65 H ALA 65 -4.526 -3.835 4.409 501 HA ALA 65 HA ALA 65 -6.689 -3.591 2.641 502 HB1 ALA 65 1HB ALA 65 -6.746 -3.557 5.680 503 HB2 ALA 65 2HB ALA 65 -6.712 -4.997 4.661 504 HB3 ALA 65 3HB ALA 65 -8.110 -3.921 4.617 505 H THR 66 H THR 66 -5.313 -1.295 4.936 506 HA THR 66 HA THR 66 -6.538 0.988 3.586 507 HB THR 66 HB THR 66 -7.066 2.117 5.812 508 HG1 THR 66 HG1 THR 66 -7.091 -0.475 6.966 509 HG21 THR 66 1HG2 THR 66 -8.745 -0.361 5.295 510 HG22 THR 66 2HG2 THR 66 -8.948 1.206 4.504 511 HG23 THR 66 3HG2 THR 66 -9.237 1.046 6.237 512 H VAL 67 H VAL 67 -5.461 3.096 4.644 513 HA VAL 67 HA VAL 67 -2.646 2.823 4.782 514 HB VAL 67 HB VAL 67 -3.765 5.006 4.245 515 HG11 VAL 67 1HG1 VAL 67 -5.512 5.055 5.982 516 HG12 VAL 67 2HG1 VAL 67 -4.523 6.513 6.038 517 HG13 VAL 67 3HG1 VAL 67 -4.280 5.240 7.236 518 HG21 VAL 67 1HG2 VAL 67 -1.366 4.925 4.781 519 HG22 VAL 67 2HG2 VAL 67 -1.725 5.137 6.497 520 HG23 VAL 67 3HG2 VAL 67 -2.082 6.433 5.354 521 H GLN 68 H GLN 68 -5.157 2.712 7.249 522 HA GLN 68 HA GLN 68 -3.614 3.153 9.562 523 HB2 GLN 68 2HB GLN 68 -6.094 1.385 9.301 524 HB3 GLN 68 1HB GLN 68 -5.481 2.081 10.796 525 HG2 GLN 68 2HG GLN 68 -6.614 3.630 8.450 526 HG3 GLN 68 1HG GLN 68 -7.451 3.298 9.967 527 HE21 GLN 68 1HE2 GLN 68 -6.716 4.380 11.883 528 HE22 GLN 68 2HE2 GLN 68 -5.809 5.848 11.772 529 H SER 69 H SER 69 -4.528 0.176 7.905 530 HA SER 69 HA SER 69 -3.204 -1.643 9.606 531 HB2 SER 69 2HB SER 69 -3.914 -2.011 6.667 532 HB3 SER 69 1HB SER 69 -3.693 -3.283 7.870 533 HG SER 69 HG SER 69 -5.672 -3.000 8.487 534 H MET 70 H MET 70 -2.191 0.007 6.582 535 HA MET 70 HA MET 70 0.181 -1.627 6.265 536 HB2 MET 70 2HB MET 70 0.461 -0.636 4.146 537 HB3 MET 70 1HB MET 70 -1.288 -0.678 4.361 538 HG2 MET 70 2HG MET 70 -1.294 1.701 4.903 539 HG3 MET 70 1HG MET 70 0.461 1.760 4.780 540 HE1 MET 70 1HE MET 70 -2.352 1.063 1.163 541 HE2 MET 70 2HE MET 70 -2.918 1.293 2.820 542 HE3 MET 70 3HE MET 70 -2.085 -0.194 2.369 543 H VAL 71 H VAL 71 -0.539 1.543 7.569 544 HA VAL 71 HA VAL 71 2.138 2.593 7.508 545 HB VAL 71 HB VAL 71 -0.275 3.782 7.870 546 HG11 VAL 71 1HG1 VAL 71 -0.735 2.920 10.093 547 HG12 VAL 71 2HG1 VAL 71 -0.634 4.682 10.097 548 HG13 VAL 71 3HG1 VAL 71 0.713 3.722 10.709 549 HG21 VAL 71 1HG2 VAL 71 2.330 4.935 8.902 550 HG22 VAL 71 2HG2 VAL 71 0.903 5.880 8.470 551 HG23 VAL 71 3HG2 VAL 71 1.766 4.969 7.229 552 H ALA 72 H ALA 72 0.146 0.844 9.713 553 HA ALA 72 HA ALA 72 1.824 1.034 12.030 554 HB1 ALA 72 1HB ALA 72 -0.649 0.971 12.104 555 HB2 ALA 72 2HB ALA 72 0.074 -0.333 13.060 556 HB3 ALA 72 3HB ALA 72 -0.615 -0.676 11.469 557 H LEU 73 H LEU 73 1.236 -1.265 9.420 558 HA LEU 73 HA LEU 73 2.574 -3.555 10.299 559 HB2 LEU 73 2HB LEU 73 1.329 -3.845 8.333 560 HB3 LEU 73 1HB LEU 73 1.806 -2.291 7.680 561 HG LEU 73 HG LEU 73 4.119 -3.337 7.306 562 HD11 LEU 73 1HD1 LEU 73 4.207 -5.773 6.989 563 HD12 LEU 73 2HD1 LEU 73 2.586 -5.919 7.677 564 HD13 LEU 73 3HD1 LEU 73 3.918 -5.317 8.668 565 HD21 LEU 73 1HD2 LEU 73 1.798 -4.325 5.637 566 HD22 LEU 73 2HD2 LEU 73 3.483 -4.203 5.122 567 HD23 LEU 73 3HD2 LEU 73 2.576 -2.746 5.519 568 H VAL 74 H VAL 74 3.708 -0.686 8.504 569 HA VAL 74 HA VAL 74 6.408 -1.373 8.184 570 HB VAL 74 HB VAL 74 5.210 1.433 8.493 571 HG11 VAL 74 1HG1 VAL 74 7.234 2.274 7.313 572 HG12 VAL 74 2HG1 VAL 74 7.928 0.652 7.348 573 HG13 VAL 74 3HG1 VAL 74 7.647 1.524 8.856 574 HG21 VAL 74 1HG2 VAL 74 4.209 0.174 6.615 575 HG22 VAL 74 2HG2 VAL 74 5.811 -0.130 5.949 576 HG23 VAL 74 3HG2 VAL 74 5.187 1.518 6.022 577 H GLN 75 H GLN 75 4.771 0.354 10.839 578 HA GLN 75 HA GLN 75 7.149 1.035 12.283 579 HB2 GLN 75 2HB GLN 75 4.299 0.888 13.349 580 HB3 GLN 75 1HB GLN 75 5.636 1.775 14.069 581 HG2 GLN 75 2HG GLN 75 4.225 2.389 11.465 582 HG3 GLN 75 1HG GLN 75 4.167 3.327 12.951 583 HE21 GLN 75 1HE2 GLN 75 4.966 4.079 10.210 584 HE22 GLN 75 2HE2 GLN 75 6.557 4.744 10.354 585 H ARG 76 H ARG 76 5.087 -1.793 12.236 586 HA ARG 76 HA ARG 76 6.018 -2.975 14.684 587 HB2 ARG 76 2HB ARG 76 4.551 -4.146 12.288 588 HB3 ARG 76 1HB ARG 76 4.989 -5.105 13.701 589 HG2 ARG 76 2HG ARG 76 3.610 -3.660 15.135 590 HG3 ARG 76 1HG ARG 76 3.189 -2.658 13.748 591 HD2 ARG 76 2HD ARG 76 1.368 -4.203 14.309 592 HD3 ARG 76 1HD ARG 76 2.030 -4.584 12.717 593 HE ARG 76 HE ARG 76 3.418 -6.293 14.133 594 HH11 ARG 76 1HH1 ARG 76 0.008 -5.566 14.604 595 HH12 ARG 76 2HH1 ARG 76 -0.348 -7.144 15.229 596 HH21 ARG 76 1HH2 ARG 76 2.911 -8.346 14.951 597 HH22 ARG 76 2HH2 ARG 76 1.277 -8.701 15.425 598 H LEU 77 H LEU 77 6.687 -3.640 11.205 599 HA LEU 77 HA LEU 77 8.667 -5.622 11.735 600 HB2 LEU 77 2HB LEU 77 9.188 -5.506 9.290 601 HB3 LEU 77 1HB LEU 77 7.505 -5.780 9.670 602 HG LEU 77 HG LEU 77 7.151 -3.269 9.213 603 HD11 LEU 77 1HD1 LEU 77 8.706 -2.181 7.635 604 HD12 LEU 77 2HD1 LEU 77 9.869 -3.487 7.885 605 HD13 LEU 77 3HD1 LEU 77 9.418 -2.428 9.231 606 HD21 LEU 77 1HD2 LEU 77 7.882 -5.093 6.916 607 HD22 LEU 77 2HD2 LEU 77 6.864 -3.655 6.825 608 HD23 LEU 77 3HD2 LEU 77 6.335 -5.045 7.766 609 H LYS 78 H LYS 78 8.864 -2.159 11.505 610 HA LYS 78 HA LYS 78 11.556 -1.623 11.130 611 HB2 LYS 78 2HB LYS 78 9.415 -0.342 12.836 612 HB3 LYS 78 1HB LYS 78 11.055 0.249 12.954 613 HG2 LYS 78 2HG LYS 78 9.346 0.241 10.464 614 HG3 LYS 78 1HG LYS 78 9.739 1.637 11.467 615 HD2 LYS 78 2HD LYS 78 12.225 1.051 10.931 616 HD3 LYS 78 1HD LYS 78 11.556 0.057 9.636 617 HE2 LYS 78 2HE LYS 78 12.158 2.225 8.748 618 HE3 LYS 78 1HE LYS 78 10.400 2.067 8.743 619 HZ1 LYS 78 1HZ LYS 78 11.996 3.527 10.781 620 HZ2 LYS 78 2HZ LYS 78 10.310 3.395 10.756 621 HZ3 LYS 78 3HZ LYS 78 11.109 4.233 9.528 622 H ALA 79 H ALA 79 9.889 -2.630 14.075 623 HA ALA 79 HA ALA 79 12.200 -2.593 15.779 624 HB1 ALA 79 1HB ALA 79 9.945 -2.174 16.669 625 HB2 ALA 79 2HB ALA 79 10.692 -3.558 17.469 626 HB3 ALA 79 3HB ALA 79 9.458 -3.813 16.231 627 H HIS 80 H HIS 80 10.796 -4.942 13.605 628 HA HIS 80 HA HIS 80 11.892 -7.315 14.819 629 HB2 HIS 80 2HB HIS 80 10.813 -6.798 12.004 630 HB3 HIS 80 1HB HIS 80 11.413 -8.372 12.530 631 HD1 HIS 80 HD1 HIS 80 8.977 -5.872 13.999 632 HD2 HIS 80 HD2 HIS 80 9.296 -9.918 13.239 633 HE1 HIS 80 HE1 HIS 80 6.846 -6.865 14.814 634 HE2 HIS 80 HE2 HIS 80 7.146 -9.345 14.531 635 HA PRO 81 HA PRO 81 16.057 -6.180 13.411 636 HB2 PRO 81 2HB PRO 81 16.946 -8.656 14.801 637 HB3 PRO 81 1HB PRO 81 17.328 -6.965 15.181 638 HG2 PRO 81 2HG PRO 81 15.736 -8.417 16.783 639 HG3 PRO 81 1HG PRO 81 15.446 -6.682 16.507 640 HD2 PRO 81 2HD PRO 81 14.077 -9.040 15.180 641 HD3 PRO 81 1HD PRO 81 13.353 -7.590 15.924 642 H GLU 82 H GLU 82 14.290 -8.986 12.665 643 HA GLU 82 HA GLU 82 16.018 -10.541 11.089 644 HB2 GLU 82 2HB GLU 82 13.818 -11.332 11.911 645 HB3 GLU 82 1HB GLU 82 13.003 -10.141 10.909 646 HG2 GLU 82 2HG GLU 82 12.755 -12.243 9.812 647 HG3 GLU 82 1HG GLU 82 13.951 -11.341 8.881 648 H GLN 83 H GLN 83 13.707 -7.983 10.169 649 HA GLN 83 HA GLN 83 14.901 -7.814 7.448 650 HB2 GLN 83 2HB GLN 83 12.606 -7.540 6.537 651 HB3 GLN 83 1HB GLN 83 12.847 -9.112 7.290 652 HG2 GLN 83 2HG GLN 83 11.634 -8.344 9.303 653 HG3 GLN 83 1HG GLN 83 11.397 -6.764 8.555 654 HE21 GLN 83 1HE2 GLN 83 11.132 -9.865 6.846 655 HE22 GLN 83 2HE2 GLN 83 9.429 -9.762 6.567 656 H GLY 84 H GLY 84 13.804 -6.165 10.228 657 HA2 GLY 84 2HA GLY 84 13.444 -3.566 8.872 658 HA3 GLY 84 1HA GLY 84 12.964 -3.978 10.513 659 H GLY 85 H GLY 85 14.013 -2.135 11.322 660 HA2 GLY 85 2HA GLY 85 15.716 -0.893 12.197 661 HA3 GLY 85 1HA GLY 85 16.771 -2.284 11.986 662 H ALA 86 H ALA 86 18.019 -2.459 10.128 663 HA ALA 86 HA ALA 86 17.766 -0.702 7.863 664 HB1 ALA 86 1HB ALA 86 20.192 -0.349 9.669 665 HB2 ALA 86 2HB ALA 86 18.911 0.841 9.431 666 HB3 ALA 86 3HB ALA 86 19.969 0.404 8.086 667 H ALA 87 H ALA 87 19.930 -1.017 6.480 668 HA ALA 87 HA ALA 87 21.116 -3.692 6.782 669 HB1 ALA 87 1HB ALA 87 20.760 -4.205 4.385 670 HB2 ALA 87 2HB ALA 87 19.821 -2.721 4.202 671 HB3 ALA 87 3HB ALA 87 19.223 -4.022 5.233 672 H LEU 88 H LEU 88 23.194 -3.129 7.041 673 HA LEU 88 HA LEU 88 24.395 -0.779 5.918 674 HB2 LEU 88 2HB LEU 88 25.487 -3.101 7.538 675 HB3 LEU 88 1HB LEU 88 26.555 -1.878 6.878 676 HG LEU 88 HG LEU 88 26.129 -1.383 9.203 677 HD11 LEU 88 1HD1 LEU 88 26.382 0.539 7.737 678 HD12 LEU 88 2HD1 LEU 88 25.324 0.903 9.095 679 HD13 LEU 88 3HD1 LEU 88 24.633 0.615 7.495 680 HD21 LEU 88 1HD2 LEU 88 24.009 -2.549 9.534 681 HD22 LEU 88 2HD2 LEU 88 23.157 -1.318 8.598 682 HD23 LEU 88 3HD2 LEU 88 23.919 -0.896 10.135 683 H GLU 89 H GLU 89 24.529 -0.774 3.778 684 HA GLU 89 HA GLU 89 25.162 -3.035 2.124 685 HB2 GLU 89 2HB GLU 89 25.001 -0.066 1.432 686 HB3 GLU 89 1HB GLU 89 25.026 -1.389 0.272 687 HG2 GLU 89 2HG GLU 89 22.850 -2.186 1.083 688 HG3 GLU 89 1HG GLU 89 22.830 -0.923 2.318 689 H282 PNS 101 3H28 PNS 136 0.158 -9.875 -4.038 690 H281 PNS 101 2H28 PNS 136 0.162 -11.302 -5.058 691 H303 PNS 101 3H51 PNS 136 0.443 -11.221 -1.363 692 H302 PNS 101 2H51 PNS 136 2.202 -11.261 -1.299 693 H301 PNS 101 1H51 PNS 136 1.380 -9.816 -1.899 694 H313 PNS 101 3H52 PNS 136 3.526 -11.352 -3.467 695 H312 PNS 101 2H52 PNS 136 2.673 -9.917 -4.023 696 H311 PNS 101 1H52 PNS 136 2.675 -11.386 -5.015 697 H32 PNS 101 H32 PNS 136 0.450 -13.323 -2.712 698 H33 PNS 101 H33 PNS 136 0.445 -13.338 -4.967 699 H36 PNS 101 H36 PNS 136 3.520 -13.970 -4.230 700 H372 PNS 101 3H37 PNS 136 5.543 -13.899 -2.522 701 H371 PNS 101 2H37 PNS 136 4.605 -15.192 -1.783 702 H382 PNS 101 3H38 PNS 136 6.348 -16.141 -3.175 703 H381 PNS 101 2H38 PNS 136 4.774 -16.503 -3.866 704 H41 PNS 101 H41 PNS 136 6.345 -13.350 -4.288 705 H422 PNS 101 3H42 PNS 136 6.195 -13.420 -7.140 706 H421 PNS 101 2H42 PNS 136 7.850 -13.672 -6.578 707 H431 PNS 101 2H43 PNS 136 7.728 -11.521 -5.326 708 H432 PNS 101 3H43 PNS 136 7.447 -11.292 -7.061 709 H44 PNS 101 H44 PNS 136 4.658 -11.176 -6.812 Start of MODEL 6 1 H1 MET 1 1H MET 1 3.858 15.638 -0.052 2 H2 MET 1 2H MET 1 3.235 16.679 -1.231 3 H3 MET 1 3H MET 1 4.442 15.574 -1.636 4 HA MET 1 HA MET 1 1.715 14.876 -0.748 5 HB2 MET 1 2HB MET 1 2.980 14.776 -3.526 6 HB3 MET 1 1HB MET 1 1.438 14.027 -3.125 7 HG2 MET 1 2HG MET 1 0.483 16.226 -2.613 8 HG3 MET 1 1HG MET 1 2.036 16.992 -2.965 9 HE1 MET 1 1HE MET 1 0.977 18.649 -4.697 10 HE2 MET 1 2HE MET 1 -0.635 17.992 -4.407 11 HE3 MET 1 3HE MET 1 -0.035 18.162 -6.056 12 H LEU 2 H LEU 2 2.010 13.099 0.490 13 HA LEU 2 HA LEU 2 3.811 10.936 -0.433 14 HB2 LEU 2 2HB LEU 2 4.138 11.858 1.899 15 HB3 LEU 2 1HB LEU 2 2.517 11.320 2.302 16 HG LEU 2 HG LEU 2 3.231 8.945 1.847 17 HD11 LEU 2 1HD1 LEU 2 5.623 8.409 1.644 18 HD12 LEU 2 2HD1 LEU 2 6.011 10.129 1.568 19 HD13 LEU 2 3HD1 LEU 2 5.060 9.380 0.283 20 HD21 LEU 2 1HD2 LEU 2 3.219 9.797 4.148 21 HD22 LEU 2 2HD2 LEU 2 4.879 10.368 3.963 22 HD23 LEU 2 3HD2 LEU 2 4.529 8.638 3.910 23 H GLU 3 H GLU 3 0.605 11.570 1.003 24 HA GLU 3 HA GLU 3 -0.521 9.006 0.430 25 HB2 GLU 3 2HB GLU 3 -2.074 11.559 1.030 26 HB3 GLU 3 1HB GLU 3 -2.615 9.899 1.259 27 HG2 GLU 3 2HG GLU 3 -0.458 11.330 2.823 28 HG3 GLU 3 1HG GLU 3 -2.059 10.898 3.400 29 H SER 4 H SER 4 -0.879 12.222 -1.036 30 HA SER 4 HA SER 4 -2.622 11.555 -3.144 31 HB2 SER 4 2HB SER 4 -0.478 13.728 -3.082 32 HB3 SER 4 1HB SER 4 -1.860 13.669 -4.175 33 HG SER 4 HG SER 4 -3.159 13.681 -2.173 34 H LYS 5 H LYS 5 0.827 11.109 -2.753 35 HA LYS 5 HA LYS 5 1.445 10.747 -5.541 36 HB2 LYS 5 2HB LYS 5 3.081 11.716 -3.980 37 HB3 LYS 5 1HB LYS 5 3.089 10.236 -3.031 38 HG2 LYS 5 2HG LYS 5 4.174 9.011 -4.813 39 HG3 LYS 5 1HG LYS 5 3.968 10.357 -5.936 40 HD2 LYS 5 2HD LYS 5 6.296 10.170 -5.084 41 HD3 LYS 5 1HD LYS 5 5.551 11.717 -4.675 42 HE2 LYS 5 2HE LYS 5 5.156 10.940 -2.375 43 HE3 LYS 5 1HE LYS 5 5.795 9.347 -2.780 44 HZ1 LYS 5 1HZ LYS 5 7.318 11.879 -2.842 45 HZ2 LYS 5 2HZ LYS 5 7.931 10.341 -3.195 46 HZ3 LYS 5 3HZ LYS 5 7.401 10.702 -1.631 47 H LEU 6 H LEU 6 0.981 8.564 -2.698 48 HA LEU 6 HA LEU 6 1.680 6.177 -4.103 49 HB2 LEU 6 2HB LEU 6 0.795 4.913 -2.192 50 HB3 LEU 6 1HB LEU 6 1.840 6.217 -1.684 51 HG LEU 6 HG LEU 6 -0.490 7.494 -1.333 52 HD11 LEU 6 1HD1 LEU 6 -1.961 5.751 -2.152 53 HD12 LEU 6 2HD1 LEU 6 -2.265 6.057 -0.445 54 HD13 LEU 6 3HD1 LEU 6 -1.359 4.621 -0.933 55 HD21 LEU 6 1HD2 LEU 6 0.561 5.524 0.723 56 HD22 LEU 6 2HD2 LEU 6 -0.414 6.969 1.039 57 HD23 LEU 6 3HD2 LEU 6 1.221 7.132 0.401 58 H ILE 7 H ILE 7 -1.347 7.927 -3.666 59 HA ILE 7 HA ILE 7 -3.076 6.056 -4.954 60 HB ILE 7 HB ILE 7 -3.314 9.087 -4.774 61 HG12 ILE 7 2HG1 ILE 7 -4.747 7.043 -3.023 62 HG13 ILE 7 1HG1 ILE 7 -3.227 7.795 -2.552 63 HG21 ILE 7 1HG2 ILE 7 -4.735 8.193 -6.591 64 HG22 ILE 7 2HG2 ILE 7 -5.727 8.786 -5.258 65 HG23 ILE 7 3HG2 ILE 7 -5.477 7.052 -5.464 66 HD11 ILE 7 1HD1 ILE 7 -5.097 8.901 -1.502 67 HD12 ILE 7 2HD1 ILE 7 -5.830 9.231 -3.069 68 HD13 ILE 7 3HD1 ILE 7 -4.303 10.002 -2.628 69 H ASN 8 H ASN 8 -1.514 9.055 -6.141 70 HA ASN 8 HA ASN 8 -2.512 9.016 -8.754 71 HB2 ASN 8 2HB ASN 8 -1.459 10.976 -7.532 72 HB3 ASN 8 1HB ASN 8 0.120 10.281 -7.873 73 HD21 ASN 8 1HD2 ASN 8 0.911 10.358 -10.006 74 HD22 ASN 8 2HD2 ASN 8 0.196 11.363 -11.217 75 H HIS 9 H HIS 9 0.191 7.336 -7.388 76 HA HIS 9 HA HIS 9 1.780 6.811 -9.633 77 HB2 HIS 9 2HB HIS 9 2.430 6.465 -7.239 78 HB3 HIS 9 1HB HIS 9 1.356 5.078 -7.157 79 HD1 HIS 9 HD1 HIS 9 4.785 5.882 -7.594 80 HD2 HIS 9 HD2 HIS 9 2.287 3.021 -9.252 81 HE1 HIS 9 HE1 HIS 9 6.300 4.089 -8.454 82 HE2 HIS 9 HE2 HIS 9 4.746 2.257 -9.207 83 H ILE 10 H ILE 10 -0.470 4.517 -8.032 84 HA ILE 10 HA ILE 10 -0.535 2.839 -10.403 85 HB ILE 10 HB ILE 10 -2.122 1.399 -8.890 86 HG12 ILE 10 2HG1 ILE 10 -1.619 1.618 -6.422 87 HG13 ILE 10 1HG1 ILE 10 -0.811 3.140 -6.737 88 HG21 ILE 10 1HG2 ILE 10 0.848 1.648 -8.260 89 HG22 ILE 10 2HG2 ILE 10 0.126 0.700 -9.560 90 HG23 ILE 10 3HG2 ILE 10 -0.163 0.245 -7.881 91 HD11 ILE 10 1HD1 ILE 10 -2.999 3.490 -5.817 92 HD12 ILE 10 2HD1 ILE 10 -3.734 2.544 -7.113 93 HD13 ILE 10 3HD1 ILE 10 -2.944 4.079 -7.481 94 H ALA 11 H ALA 11 -2.554 5.294 -9.019 95 HA ALA 11 HA ALA 11 -5.097 4.746 -9.934 96 HB1 ALA 11 1HB ALA 11 -4.543 6.734 -8.596 97 HB2 ALA 11 2HB ALA 11 -5.465 7.188 -10.032 98 HB3 ALA 11 3HB ALA 11 -3.718 7.457 -9.979 99 H THR 12 H THR 12 -2.298 5.581 -11.846 100 HA THR 12 HA THR 12 -3.608 6.402 -14.236 101 HB THR 12 HB THR 12 -0.836 5.188 -13.921 102 HG1 THR 12 HG1 THR 12 -0.198 7.109 -13.235 103 HG21 THR 12 1HG2 THR 12 -0.290 6.464 -15.974 104 HG22 THR 12 2HG2 THR 12 -1.971 6.985 -16.105 105 HG23 THR 12 3HG2 THR 12 -1.558 5.277 -16.284 106 H GLN 13 H GLN 13 -2.416 3.285 -13.062 107 HA GLN 13 HA GLN 13 -3.205 1.873 -15.530 108 HB2 GLN 13 2HB GLN 13 -1.916 -0.041 -14.597 109 HB3 GLN 13 1HB GLN 13 -0.941 1.418 -14.735 110 HG2 GLN 13 2HG GLN 13 -1.145 1.825 -12.326 111 HG3 GLN 13 1HG GLN 13 -2.203 0.424 -12.160 112 HE21 GLN 13 1HE2 GLN 13 1.087 1.485 -12.729 113 HE22 GLN 13 2HE2 GLN 13 1.838 -0.034 -12.394 114 H PHE 14 H PHE 14 -4.442 2.513 -12.438 115 HA PHE 14 HA PHE 14 -6.059 0.037 -12.354 116 HB2 PHE 14 2HB PHE 14 -4.661 1.610 -10.225 117 HB3 PHE 14 1HB PHE 14 -6.269 1.058 -9.776 118 HD1 PHE 14 HD1 PHE 14 -5.607 -0.557 -8.102 119 HD2 PHE 14 HD2 PHE 14 -3.937 -0.798 -12.040 120 HE1 PHE 14 HE1 PHE 14 -4.758 -2.814 -7.633 121 HE2 PHE 14 HE2 PHE 14 -3.092 -3.039 -11.544 122 HZ PHE 14 HZ PHE 14 -3.505 -4.056 -9.342 123 H LEU 15 H LEU 15 -6.287 3.494 -12.582 124 HA LEU 15 HA LEU 15 -9.245 3.358 -12.253 125 HB2 LEU 15 2HB LEU 15 -7.505 5.668 -11.328 126 HB3 LEU 15 1HB LEU 15 -9.230 5.470 -11.071 127 HG LEU 15 HG LEU 15 -7.068 3.759 -9.777 128 HD11 LEU 15 1HD1 LEU 15 -8.724 5.958 -8.507 129 HD12 LEU 15 2HD1 LEU 15 -7.047 6.115 -9.032 130 HD13 LEU 15 3HD1 LEU 15 -7.456 4.981 -7.758 131 HD21 LEU 15 1HD2 LEU 15 -9.162 2.510 -10.009 132 HD22 LEU 15 2HD2 LEU 15 -10.074 3.826 -9.261 133 HD23 LEU 15 3HD2 LEU 15 -8.882 2.925 -8.320 134 H ASP 16 H ASP 16 -7.116 3.640 -14.576 135 HA ASP 16 HA ASP 16 -7.109 4.511 -16.684 136 HB2 ASP 16 2HB ASP 16 -9.640 4.295 -16.515 137 HB3 ASP 16 1HB ASP 16 -9.700 5.933 -15.912 138 H GLY 17 H GLY 17 -6.099 5.994 -14.187 139 HA2 GLY 17 2HA GLY 17 -4.651 7.855 -14.107 140 HA3 GLY 17 1HA GLY 17 -5.505 8.583 -15.458 141 H GLU 18 H GLU 18 -7.960 7.552 -13.518 142 HA GLU 18 HA GLU 18 -8.471 10.284 -12.615 143 HB2 GLU 18 2HB GLU 18 -10.727 9.691 -12.452 144 HB3 GLU 18 1HB GLU 18 -10.210 8.462 -13.606 145 HG2 GLU 18 2HG GLU 18 -10.013 6.835 -11.741 146 HG3 GLU 18 1HG GLU 18 -10.585 8.059 -10.616 147 H LYS 19 H LYS 19 -8.402 10.986 -10.497 148 HA LYS 19 HA LYS 19 -7.825 9.002 -8.357 149 HB2 LYS 19 2HB LYS 19 -7.396 12.014 -8.315 150 HB3 LYS 19 1HB LYS 19 -6.985 10.869 -7.034 151 HG2 LYS 19 2HG LYS 19 -5.532 9.696 -8.866 152 HG3 LYS 19 1HG LYS 19 -5.688 11.220 -9.737 153 HD2 LYS 19 2HD LYS 19 -4.676 11.073 -6.889 154 HD3 LYS 19 1HD LYS 19 -3.607 10.892 -8.274 155 HE2 LYS 19 2HE LYS 19 -3.432 13.176 -7.580 156 HE3 LYS 19 1HE LYS 19 -4.391 13.184 -9.056 157 HZ1 LYS 19 1HZ LYS 19 -6.373 13.427 -7.757 158 HZ2 LYS 19 2HZ LYS 19 -5.275 14.633 -7.317 159 HZ3 LYS 19 3HZ LYS 19 -5.505 13.296 -6.314 160 H ASP 20 H ASP 20 -9.748 8.308 -7.866 161 HA ASP 20 HA ASP 20 -11.462 9.690 -6.118 162 HB2 ASP 20 2HB ASP 20 -12.324 10.764 -8.222 163 HB3 ASP 20 1HB ASP 20 -12.667 9.177 -8.896 164 H GLY 21 H GLY 21 -12.667 8.178 -5.001 165 HA2 GLY 21 2HA GLY 21 -13.638 6.148 -4.468 166 HA3 GLY 21 1HA GLY 21 -13.123 5.476 -6.005 167 H LEU 22 H LEU 22 -10.326 6.297 -5.593 168 HA LEU 22 HA LEU 22 -9.443 4.355 -3.548 169 HB2 LEU 22 2HB LEU 22 -8.878 3.905 -5.977 170 HB3 LEU 22 1HB LEU 22 -8.002 5.408 -6.016 171 HG LEU 22 HG LEU 22 -6.250 4.582 -4.599 172 HD11 LEU 22 1HD1 LEU 22 -7.579 3.377 -2.928 173 HD12 LEU 22 2HD1 LEU 22 -6.263 2.371 -3.527 174 HD13 LEU 22 3HD1 LEU 22 -7.911 2.093 -4.094 175 HD21 LEU 22 1HD2 LEU 22 -7.002 2.383 -6.560 176 HD22 LEU 22 2HD2 LEU 22 -5.403 2.642 -5.862 177 HD23 LEU 22 3HD2 LEU 22 -6.097 3.852 -6.939 178 H ASP 23 H ASP 23 -9.046 5.539 -1.761 179 HA ASP 23 HA ASP 23 -7.019 7.672 -1.918 180 HB2 ASP 23 2HB ASP 23 -9.263 8.752 -1.527 181 HB3 ASP 23 1HB ASP 23 -9.483 7.752 -0.094 182 H SER 24 H SER 24 -5.877 7.934 0.159 183 HA SER 24 HA SER 24 -4.804 5.597 1.210 184 HB2 SER 24 2HB SER 24 -3.833 7.189 2.932 185 HB3 SER 24 1HB SER 24 -3.627 7.727 1.267 186 HG SER 24 HG SER 24 -5.762 8.895 1.775 187 H GLN 25 H GLN 25 -7.351 7.708 2.534 188 HA GLN 25 HA GLN 25 -7.674 6.268 5.008 189 HB2 GLN 25 2HB GLN 25 -9.416 8.404 3.711 190 HB3 GLN 25 1HB GLN 25 -9.619 7.806 5.356 191 HG2 GLN 25 2HG GLN 25 -7.446 8.707 5.996 192 HG3 GLN 25 1HG GLN 25 -7.139 9.224 4.335 193 HE21 GLN 25 1HE2 GLN 25 -6.930 11.395 4.914 194 HE22 GLN 25 2HE2 GLN 25 -8.275 12.363 5.403 195 H THR 26 H THR 26 -8.826 5.791 1.850 196 HA THR 26 HA THR 26 -11.404 4.673 2.409 197 HB THR 26 HB THR 26 -9.653 4.551 -0.084 198 HG1 THR 26 HG1 THR 26 -11.357 6.458 0.992 199 HG21 THR 26 1HG2 THR 26 -11.758 4.090 -1.309 200 HG22 THR 26 2HG2 THR 26 -12.616 3.976 0.234 201 HG23 THR 26 3HG2 THR 26 -11.369 2.797 -0.170 202 HA PRO 27 HA PRO 27 -9.983 0.408 3.270 203 HB2 PRO 27 2HB PRO 27 -12.373 -0.896 2.907 204 HB3 PRO 27 1HB PRO 27 -12.011 0.053 4.365 205 HG2 PRO 27 2HG PRO 27 -13.611 0.854 1.954 206 HG3 PRO 27 1HG PRO 27 -13.969 1.121 3.673 207 HD2 PRO 27 2HD PRO 27 -12.915 3.068 2.109 208 HD3 PRO 27 1HD PRO 27 -12.523 2.943 3.831 209 H LEU 28 H LEU 28 -8.677 -0.268 1.670 210 HA LEU 28 HA LEU 28 -9.334 -0.270 -1.106 211 HB2 LEU 28 2HB LEU 28 -7.005 -1.780 0.144 212 HB3 LEU 28 1HB LEU 28 -7.114 -1.103 -1.471 213 HG LEU 28 HG LEU 28 -6.676 0.384 1.142 214 HD11 LEU 28 1HD1 LEU 28 -4.617 1.183 0.078 215 HD12 LEU 28 2HD1 LEU 28 -4.978 0.224 -1.361 216 HD13 LEU 28 3HD1 LEU 28 -4.671 -0.575 0.182 217 HD21 LEU 28 1HD2 LEU 28 -8.271 1.743 -0.064 218 HD22 LEU 28 2HD2 LEU 28 -7.329 1.628 -1.547 219 HD23 LEU 28 3HD2 LEU 28 -6.688 2.514 -0.164 220 H PHE 29 H PHE 29 -9.578 -2.611 1.450 221 HA PHE 29 HA PHE 29 -9.856 -4.924 -0.278 222 HB2 PHE 29 2HB PHE 29 -9.279 -4.492 2.552 223 HB3 PHE 29 1HB PHE 29 -10.595 -5.651 2.405 224 HD1 PHE 29 HD1 PHE 29 -7.431 -4.914 0.562 225 HD2 PHE 29 HD2 PHE 29 -9.847 -7.888 2.460 226 HE1 PHE 29 HE1 PHE 29 -5.818 -6.608 -0.037 227 HE2 PHE 29 HE2 PHE 29 -8.201 -9.607 1.842 228 HZ PHE 29 HZ PHE 29 -6.185 -8.975 0.578 229 H GLU 30 H GLU 30 -11.938 -3.046 1.884 230 HA GLU 30 HA GLU 30 -14.222 -4.717 1.626 231 HB2 GLU 30 2HB GLU 30 -14.033 -1.810 2.504 232 HB3 GLU 30 1HB GLU 30 -15.440 -2.849 2.734 233 HG2 GLU 30 2HG GLU 30 -14.079 -4.356 4.155 234 HG3 GLU 30 1HG GLU 30 -12.691 -3.295 3.950 235 H LEU 31 H LEU 31 -12.962 -2.111 -0.296 236 HA LEU 31 HA LEU 31 -15.340 -2.124 -2.049 237 HB2 LEU 31 2HB LEU 31 -12.961 -0.260 -2.196 238 HB3 LEU 31 1HB LEU 31 -14.508 -0.083 -3.007 239 HG LEU 31 HG LEU 31 -13.887 0.317 -0.060 240 HD11 LEU 31 1HD1 LEU 31 -14.668 2.574 -0.405 241 HD12 LEU 31 2HD1 LEU 31 -15.085 2.217 -2.084 242 HD13 LEU 31 3HD1 LEU 31 -13.397 2.184 -1.567 243 HD21 LEU 31 1HD2 LEU 31 -16.304 0.780 0.323 244 HD22 LEU 31 2HD2 LEU 31 -15.997 -0.900 -0.097 245 HD23 LEU 31 3HD2 LEU 31 -16.664 0.200 -1.307 246 H ASN 32 H ASN 32 -12.184 -3.404 -1.783 247 HA ASN 32 HA ASN 32 -10.985 -4.873 -3.014 248 HB2 ASN 32 2HB ASN 32 -13.236 -5.971 -3.263 249 HB3 ASN 32 1HB ASN 32 -13.489 -5.065 -4.748 250 HD21 ASN 32 1HD2 ASN 32 -13.735 -6.954 -5.959 251 HD22 ASN 32 2HD2 ASN 32 -12.412 -7.997 -6.340 252 H ILE 33 H ILE 33 -10.701 -2.102 -3.567 253 HA ILE 33 HA ILE 33 -10.723 -1.476 -6.339 254 HB ILE 33 HB ILE 33 -8.974 -0.143 -4.245 255 HG12 ILE 33 2HG1 ILE 33 -11.860 0.641 -4.849 256 HG13 ILE 33 1HG1 ILE 33 -11.430 -0.411 -3.505 257 HG21 ILE 33 1HG2 ILE 33 -9.279 1.879 -5.669 258 HG22 ILE 33 2HG2 ILE 33 -10.253 0.931 -6.794 259 HG23 ILE 33 3HG2 ILE 33 -8.544 0.551 -6.574 260 HD11 ILE 33 1HD1 ILE 33 -10.535 2.437 -3.890 261 HD12 ILE 33 2HD1 ILE 33 -10.069 1.386 -2.550 262 HD13 ILE 33 3HD1 ILE 33 -11.757 1.855 -2.759 263 H VAL 34 H VAL 34 -8.016 -2.276 -4.123 264 HA VAL 34 HA VAL 34 -6.138 -2.363 -6.370 265 HB VAL 34 HB VAL 34 -5.564 -1.072 -4.285 266 HG11 VAL 34 1HG1 VAL 34 -4.798 -2.220 -2.250 267 HG12 VAL 34 2HG1 VAL 34 -5.254 -3.780 -2.940 268 HG13 VAL 34 3HG1 VAL 34 -6.499 -2.581 -2.576 269 HG21 VAL 34 1HG2 VAL 34 -3.599 -3.293 -4.962 270 HG22 VAL 34 2HG2 VAL 34 -3.193 -1.769 -4.166 271 HG23 VAL 34 3HG2 VAL 34 -3.780 -1.767 -5.830 272 H ASP 35 H ASP 35 -5.072 -4.218 -7.028 273 HA ASP 35 HA ASP 35 -5.997 -6.826 -6.041 274 HB2 ASP 35 2HB ASP 35 -5.970 -6.287 -8.514 275 HB3 ASP 35 1HB ASP 35 -4.226 -6.183 -8.450 276 H SER 36 H SER 36 -4.215 -8.521 -5.956 277 HA SER 36 HA SER 36 -2.402 -7.748 -3.876 278 HB2 SER 36 2HB SER 36 -1.965 -10.050 -3.576 279 HB3 SER 36 1HB SER 36 -3.653 -10.002 -4.102 280 H ALA 37 H ALA 37 -2.179 -8.107 -7.308 281 HA ALA 37 HA ALA 37 0.609 -8.514 -7.672 282 HB1 ALA 37 1HB ALA 37 -1.387 -7.205 -9.565 283 HB2 ALA 37 2HB ALA 37 -1.043 -8.931 -9.471 284 HB3 ALA 37 3HB ALA 37 0.213 -7.815 -10.009 285 H ALA 38 H ALA 38 -1.372 -5.642 -7.201 286 HA ALA 38 HA ALA 38 0.716 -3.739 -7.845 287 HB1 ALA 38 1HB ALA 38 -1.625 -3.135 -8.261 288 HB2 ALA 38 2HB ALA 38 -0.904 -2.017 -7.100 289 HB3 ALA 38 3HB ALA 38 -1.992 -3.291 -6.547 290 H ILE 39 H ILE 39 -0.188 -5.563 -5.040 291 HA ILE 39 HA ILE 39 0.681 -3.847 -2.967 292 HB ILE 39 HB ILE 39 0.760 -6.898 -3.039 293 HG12 ILE 39 2HG1 ILE 39 -1.499 -5.950 -3.476 294 HG13 ILE 39 1HG1 ILE 39 -1.441 -6.817 -1.949 295 HG21 ILE 39 1HG2 ILE 39 2.166 -6.072 -1.198 296 HG22 ILE 39 2HG2 ILE 39 0.698 -6.798 -0.546 297 HG23 ILE 39 3HG2 ILE 39 0.854 -5.041 -0.620 298 HD11 ILE 39 1HD1 ILE 39 -1.352 -3.816 -2.260 299 HD12 ILE 39 2HD1 ILE 39 -1.356 -4.718 -0.736 300 HD13 ILE 39 3HD1 ILE 39 -2.756 -4.781 -1.805 301 H PHE 40 H PHE 40 2.452 -6.051 -5.095 302 HA PHE 40 HA PHE 40 5.028 -5.948 -3.985 303 HB2 PHE 40 2HB PHE 40 4.275 -7.469 -5.830 304 HB3 PHE 40 1HB PHE 40 4.235 -6.100 -6.930 305 HD1 PHE 40 HD1 PHE 40 6.511 -8.214 -4.859 306 HD2 PHE 40 HD2 PHE 40 6.251 -5.417 -8.085 307 HE1 PHE 40 HE1 PHE 40 8.850 -8.669 -5.442 308 HE2 PHE 40 HE2 PHE 40 8.593 -5.879 -8.663 309 HZ PHE 40 HZ PHE 40 9.898 -7.506 -7.345 310 H ASP 41 H ASP 41 3.257 -3.526 -5.776 311 HA ASP 41 HA ASP 41 5.534 -1.752 -6.182 312 HB2 ASP 41 2HB ASP 41 3.728 -1.874 -7.876 313 HB3 ASP 41 1HB ASP 41 2.553 -1.333 -6.684 314 H LEU 42 H LEU 42 2.578 -1.866 -4.153 315 HA LEU 42 HA LEU 42 2.900 0.590 -2.816 316 HB2 LEU 42 2HB LEU 42 1.307 -1.903 -2.203 317 HB3 LEU 42 1HB LEU 42 1.450 -0.688 -0.952 318 HG LEU 42 HG LEU 42 -0.655 -0.360 -2.082 319 HD11 LEU 42 1HD1 LEU 42 1.252 1.807 -2.992 320 HD12 LEU 42 2HD1 LEU 42 0.504 1.680 -1.398 321 HD13 LEU 42 3HD1 LEU 42 -0.500 1.956 -2.818 322 HD21 LEU 42 1HD2 LEU 42 -0.198 -1.491 -4.195 323 HD22 LEU 42 2HD2 LEU 42 0.842 -0.159 -4.707 324 HD23 LEU 42 3HD2 LEU 42 -0.890 0.108 -4.476 325 H VAL 43 H VAL 43 4.334 -2.558 -2.180 326 HA VAL 43 HA VAL 43 5.357 -1.947 0.442 327 HB VAL 43 HB VAL 43 6.676 -3.990 0.295 328 HG11 VAL 43 1HG1 VAL 43 4.413 -4.338 0.919 329 HG12 VAL 43 2HG1 VAL 43 4.833 -5.635 -0.189 330 HG13 VAL 43 3HG1 VAL 43 3.859 -4.284 -0.751 331 HG21 VAL 43 1HG2 VAL 43 6.727 -5.435 -1.737 332 HG22 VAL 43 2HG2 VAL 43 7.504 -3.877 -2.022 333 HG23 VAL 43 3HG2 VAL 43 5.880 -4.179 -2.639 334 H ASP 44 H ASP 44 6.518 -1.605 -2.872 335 HA ASP 44 HA ASP 44 9.250 -1.053 -2.359 336 HB2 ASP 44 2HB ASP 44 8.295 -1.510 -4.645 337 HB3 ASP 44 1HB ASP 44 7.507 0.050 -4.607 338 H PHE 45 H PHE 45 6.338 0.888 -2.544 339 HA PHE 45 HA PHE 45 7.473 3.424 -2.442 340 HB2 PHE 45 2HB PHE 45 5.129 2.892 -3.151 341 HB3 PHE 45 1HB PHE 45 4.712 2.553 -1.476 342 HD1 PHE 45 HD1 PHE 45 5.599 5.227 -3.891 343 HD2 PHE 45 HD2 PHE 45 4.313 4.389 0.109 344 HE1 PHE 45 HE1 PHE 45 5.045 7.595 -3.564 345 HE2 PHE 45 HE2 PHE 45 3.762 6.759 0.419 346 HZ PHE 45 HZ PHE 45 4.125 8.364 -1.414 347 H LEU 46 H LEU 46 6.217 1.327 0.178 348 HA LEU 46 HA LEU 46 6.775 3.241 2.268 349 HB2 LEU 46 2HB LEU 46 6.010 0.319 2.509 350 HB3 LEU 46 1HB LEU 46 6.039 1.477 3.828 351 HG LEU 46 HG LEU 46 4.129 1.473 1.456 352 HD11 LEU 46 1HD1 LEU 46 3.591 1.075 4.412 353 HD12 LEU 46 2HD1 LEU 46 3.605 -0.189 3.180 354 HD13 LEU 46 3HD1 LEU 46 2.389 1.082 3.119 355 HD21 LEU 46 1HD2 LEU 46 3.030 3.441 2.499 356 HD22 LEU 46 2HD2 LEU 46 4.669 3.806 1.970 357 HD23 LEU 46 3HD2 LEU 46 4.337 3.539 3.684 358 H ARG 47 H ARG 47 8.480 0.374 1.017 359 HA ARG 47 HA ARG 47 10.338 0.168 3.197 360 HB2 ARG 47 2HB ARG 47 11.526 -1.441 1.895 361 HB3 ARG 47 1HB ARG 47 9.838 -1.666 1.463 362 HG2 ARG 47 2HG ARG 47 10.218 -0.372 -0.621 363 HG3 ARG 47 1HG ARG 47 11.913 -0.185 -0.187 364 HD2 ARG 47 2HD ARG 47 12.189 -2.642 -0.285 365 HD3 ARG 47 1HD ARG 47 10.491 -2.804 -0.748 366 HE ARG 47 HE ARG 47 11.230 -1.245 -2.697 367 HH11 ARG 47 1HH1 ARG 47 13.181 -3.849 -1.376 368 HH12 ARG 47 2HH1 ARG 47 14.018 -4.138 -2.867 369 HH21 ARG 47 1HH2 ARG 47 12.344 -1.638 -4.632 370 HH22 ARG 47 2HH2 ARG 47 13.541 -2.883 -4.706 371 H GLN 48 H GLN 48 10.174 1.982 0.248 372 HA GLN 48 HA GLN 48 12.728 3.163 0.082 373 HB2 GLN 48 2HB GLN 48 11.137 3.168 -1.767 374 HB3 GLN 48 1HB GLN 48 9.942 4.013 -0.795 375 HG2 GLN 48 2HG GLN 48 11.499 6.009 -0.775 376 HG3 GLN 48 1HG GLN 48 12.502 5.151 -1.945 377 HE21 GLN 48 1HE2 GLN 48 8.952 5.080 -1.835 378 HE22 GLN 48 2HE2 GLN 48 8.723 5.887 -3.343 379 H GLU 49 H GLU 49 9.653 4.294 1.468 380 HA GLU 49 HA GLU 49 10.603 6.792 2.437 381 HB2 GLU 49 2HB GLU 49 8.073 5.217 3.027 382 HB3 GLU 49 1HB GLU 49 8.357 6.846 3.614 383 HG2 GLU 49 2HG GLU 49 8.077 5.965 0.725 384 HG3 GLU 49 1HG GLU 49 6.951 6.963 1.643 385 H SER 50 H SER 50 10.424 3.621 3.820 386 HA SER 50 HA SER 50 11.241 4.592 6.504 387 HB2 SER 50 2HB SER 50 10.392 1.804 5.665 388 HB3 SER 50 1HB SER 50 10.595 2.389 7.320 389 HG SER 50 HG SER 50 8.500 2.672 5.585 390 H LYS 51 H LYS 51 12.723 3.501 3.731 391 HA LYS 51 HA LYS 51 14.837 2.911 3.190 392 HB2 LYS 51 2HB LYS 51 15.453 4.031 5.950 393 HB3 LYS 51 1HB LYS 51 16.653 3.734 4.698 394 HG2 LYS 51 2HG LYS 51 16.292 5.985 4.377 395 HG3 LYS 51 1HG LYS 51 15.095 5.339 3.268 396 HD2 LYS 51 2HD LYS 51 13.377 5.659 5.085 397 HD3 LYS 51 1HD LYS 51 14.620 6.456 6.051 398 HE2 LYS 51 2HE LYS 51 14.889 8.134 4.202 399 HE3 LYS 51 1HE LYS 51 13.536 7.366 3.368 400 HZ1 LYS 51 1HZ LYS 51 13.454 8.665 6.029 401 HZ2 LYS 51 2HZ LYS 51 12.153 7.880 5.293 402 HZ3 LYS 51 3HZ LYS 51 12.799 9.274 4.592 403 H VAL 52 H VAL 52 13.223 0.897 4.275 404 HA VAL 52 HA VAL 52 15.127 -0.991 5.530 405 HB VAL 52 HB VAL 52 13.230 -0.321 7.061 406 HG11 VAL 52 1HG1 VAL 52 11.487 0.145 5.367 407 HG12 VAL 52 2HG1 VAL 52 10.893 -0.989 6.582 408 HG13 VAL 52 3HG1 VAL 52 11.378 -1.578 4.991 409 HG21 VAL 52 1HG2 VAL 52 14.235 -2.559 7.339 410 HG22 VAL 52 2HG2 VAL 52 13.082 -3.234 6.188 411 HG23 VAL 52 3HG2 VAL 52 12.513 -2.597 7.732 412 H SER 53 H SER 53 14.819 -3.244 4.759 413 HA SER 53 HA SER 53 13.570 -3.469 2.080 414 HB2 SER 53 2HB SER 53 15.996 -4.120 2.291 415 HB3 SER 53 1HB SER 53 15.540 -5.382 3.434 416 HG SER 53 HG SER 53 15.064 -6.590 1.789 417 H ILE 54 H ILE 54 11.580 -4.291 2.097 418 HA ILE 54 HA ILE 54 10.563 -5.800 4.383 419 HB ILE 54 HB ILE 54 9.202 -3.931 3.483 420 HG12 ILE 54 2HG1 ILE 54 7.888 -6.664 3.154 421 HG13 ILE 54 1HG1 ILE 54 8.089 -5.809 4.676 422 HG21 ILE 54 1HG2 ILE 54 8.890 -5.604 0.961 423 HG22 ILE 54 2HG2 ILE 54 9.808 -4.100 1.088 424 HG23 ILE 54 3HG2 ILE 54 8.058 -4.086 1.308 425 HD11 ILE 54 1HD1 ILE 54 6.377 -4.921 2.364 426 HD12 ILE 54 2HD1 ILE 54 6.536 -4.093 3.917 427 HD13 ILE 54 3HD1 ILE 54 5.820 -5.706 3.840 428 H GLY 55 H GLY 55 9.810 -7.930 4.256 429 HA2 GLY 55 2HA GLY 55 10.595 -9.494 1.857 430 HA3 GLY 55 1HA GLY 55 10.467 -10.119 3.495 431 H MET 56 H MET 56 9.181 -11.391 1.341 432 HA MET 56 HA MET 56 6.470 -10.613 0.992 433 HB2 MET 56 2HB MET 56 8.027 -13.118 0.366 434 HB3 MET 56 1HB MET 56 6.273 -13.153 0.232 435 HG2 MET 56 2HG MET 56 8.111 -11.256 -1.245 436 HG3 MET 56 1HG MET 56 7.291 -12.673 -1.928 437 HE1 MET 56 1HE MET 56 5.390 -9.374 -3.296 438 HE2 MET 56 2HE MET 56 6.260 -10.806 -3.824 439 HE3 MET 56 3HE MET 56 7.109 -9.544 -2.937 440 H GLN 57 H GLN 57 7.995 -12.184 3.608 441 HA GLN 57 HA GLN 57 5.807 -13.472 4.858 442 HB2 GLN 57 2HB GLN 57 7.162 -13.218 6.939 443 HB3 GLN 57 1HB GLN 57 8.119 -13.836 5.597 444 HG2 GLN 57 2HG GLN 57 8.982 -11.492 5.229 445 HG3 GLN 57 1HG GLN 57 8.140 -11.006 6.697 446 HE21 GLN 57 1HE2 GLN 57 10.794 -12.880 5.403 447 HE22 GLN 57 2HE2 GLN 57 11.629 -13.099 6.900 448 H GLU 58 H GLU 58 6.730 -10.125 4.545 449 HA GLU 58 HA GLU 58 4.684 -9.148 6.442 450 HB2 GLU 58 2HB GLU 58 6.973 -7.695 5.048 451 HB3 GLU 58 1HB GLU 58 5.892 -6.979 6.239 452 HG2 GLU 58 2HG GLU 58 7.858 -9.231 6.734 453 HG3 GLU 58 1HG GLU 58 8.055 -7.547 7.225 454 H ILE 59 H ILE 59 5.565 -9.246 3.054 455 HA ILE 59 HA ILE 59 3.802 -7.206 2.103 456 HB ILE 59 HB ILE 59 5.097 -9.505 0.583 457 HG12 ILE 59 2HG1 ILE 59 5.988 -6.600 0.882 458 HG13 ILE 59 1HG1 ILE 59 6.734 -7.976 1.671 459 HG21 ILE 59 1HG2 ILE 59 3.182 -8.678 -0.697 460 HG22 ILE 59 2HG2 ILE 59 4.672 -8.161 -1.482 461 HG23 ILE 59 3HG2 ILE 59 3.737 -7.012 -0.523 462 HD11 ILE 59 1HD1 ILE 59 8.054 -7.239 -0.181 463 HD12 ILE 59 2HD1 ILE 59 6.685 -7.410 -1.278 464 HD13 ILE 59 3HD1 ILE 59 7.402 -8.841 -0.528 465 H HIS 60 H HIS 60 1.775 -7.597 2.918 466 HA HIS 60 HA HIS 60 0.258 -9.821 1.719 467 HB2 HIS 60 2HB HIS 60 0.743 -9.415 4.568 468 HB3 HIS 60 1HB HIS 60 -0.966 -9.163 4.252 469 HD1 HIS 60 HD1 HIS 60 1.710 -11.811 4.003 470 HD2 HIS 60 HD2 HIS 60 -2.424 -11.452 3.820 471 HE1 HIS 60 HE1 HIS 60 0.828 -14.161 4.049 472 HE2 HIS 60 HE2 HIS 60 -1.648 -13.907 3.699 473 HA PRO 61 HA PRO 61 -2.289 -6.349 0.469 474 HB2 PRO 61 2HB PRO 61 -4.505 -7.784 -0.373 475 HB3 PRO 61 1HB PRO 61 -3.022 -7.637 -1.333 476 HG2 PRO 61 2HG PRO 61 -3.909 -9.895 0.422 477 HG3 PRO 61 1HG PRO 61 -3.149 -9.947 -1.186 478 HD2 PRO 61 2HD PRO 61 -1.746 -10.385 1.101 479 HD3 PRO 61 1HD PRO 61 -1.009 -9.613 -0.320 480 H ALA 62 H ALA 62 -3.418 -8.843 2.735 481 HA ALA 62 HA ALA 62 -5.593 -7.392 3.875 482 HB1 ALA 62 1HB ALA 62 -5.446 -9.014 5.737 483 HB2 ALA 62 2HB ALA 62 -3.893 -9.582 5.121 484 HB3 ALA 62 3HB ALA 62 -5.358 -9.825 4.171 485 H ASN 63 H ASN 63 -2.128 -7.343 4.392 486 HA ASN 63 HA ASN 63 -2.176 -5.631 6.732 487 HB2 ASN 63 2HB ASN 63 0.111 -6.449 4.883 488 HB3 ASN 63 1HB ASN 63 0.314 -5.484 6.343 489 HD21 ASN 63 1HD2 ASN 63 1.758 -7.126 7.081 490 HD22 ASN 63 2HD2 ASN 63 1.157 -8.584 7.778 491 H PHE 64 H PHE 64 -2.203 -5.256 3.279 492 HA PHE 64 HA PHE 64 -1.842 -2.311 3.451 493 HB2 PHE 64 2HB PHE 64 -1.563 -4.280 1.136 494 HB3 PHE 64 1HB PHE 64 -1.664 -2.541 0.876 495 HD1 PHE 64 HD1 PHE 64 0.359 -5.130 2.663 496 HD2 PHE 64 HD2 PHE 64 0.295 -1.213 0.985 497 HE1 PHE 64 HE1 PHE 64 2.759 -4.945 3.026 498 HE2 PHE 64 HE2 PHE 64 2.706 -1.027 1.373 499 HZ PHE 64 HZ PHE 64 3.946 -2.897 2.394 500 H ALA 65 H ALA 65 -4.257 -3.981 4.157 501 HA ALA 65 HA ALA 65 -6.314 -3.733 2.234 502 HB1 ALA 65 1HB ALA 65 -6.416 -5.281 4.152 503 HB2 ALA 65 2HB ALA 65 -7.838 -4.238 4.112 504 HB3 ALA 65 3HB ALA 65 -6.543 -3.919 5.268 505 H THR 66 H THR 66 -5.024 -1.461 4.579 506 HA THR 66 HA THR 66 -6.516 0.788 3.433 507 HB THR 66 HB THR 66 -6.847 1.810 5.741 508 HG1 THR 66 HG1 THR 66 -6.144 -0.810 6.600 509 HG21 THR 66 1HG2 THR 66 -8.382 -0.781 5.363 510 HG22 THR 66 2HG2 THR 66 -8.812 0.782 4.665 511 HG23 THR 66 3HG2 THR 66 -8.856 0.555 6.416 512 H VAL 67 H VAL 67 -5.366 2.949 4.265 513 HA VAL 67 HA VAL 67 -2.515 2.572 4.157 514 HB VAL 67 HB VAL 67 -3.801 4.690 3.347 515 HG11 VAL 67 1HG1 VAL 67 -4.956 5.276 5.451 516 HG12 VAL 67 2HG1 VAL 67 -3.907 6.591 4.921 517 HG13 VAL 67 3HG1 VAL 67 -3.400 5.543 6.246 518 HG21 VAL 67 1HG2 VAL 67 -1.182 4.985 4.861 519 HG22 VAL 67 2HG2 VAL 67 -1.777 6.086 3.616 520 HG23 VAL 67 3HG2 VAL 67 -1.359 4.424 3.196 521 H GLN 68 H GLN 68 -4.877 2.953 6.685 522 HA GLN 68 HA GLN 68 -3.260 3.547 8.897 523 HB2 GLN 68 2HB GLN 68 -5.727 3.639 8.990 524 HB3 GLN 68 1HB GLN 68 -5.827 1.906 8.703 525 HG2 GLN 68 2HG GLN 68 -4.657 1.535 10.901 526 HG3 GLN 68 1HG GLN 68 -4.756 3.271 11.200 527 HE21 GLN 68 1HE2 GLN 68 -6.018 2.886 13.072 528 HE22 GLN 68 2HE2 GLN 68 -7.679 2.430 12.968 529 H SER 69 H SER 69 -4.316 0.414 7.575 530 HA SER 69 HA SER 69 -2.993 -1.240 9.437 531 HB2 SER 69 2HB SER 69 -3.462 -3.085 7.799 532 HB3 SER 69 1HB SER 69 -4.881 -2.085 8.108 533 HG SER 69 HG SER 69 -3.170 -1.999 5.843 534 H MET 70 H MET 70 -2.021 0.076 6.265 535 HA MET 70 HA MET 70 0.302 -1.633 6.034 536 HB2 MET 70 2HB MET 70 0.681 -0.687 3.895 537 HB3 MET 70 1HB MET 70 -1.069 -0.748 4.052 538 HG2 MET 70 2HG MET 70 -1.139 1.645 4.490 539 HG3 MET 70 1HG MET 70 0.618 1.733 4.467 540 HE1 MET 70 1HE MET 70 -1.980 0.867 0.734 541 HE2 MET 70 2HE MET 70 -2.636 1.166 2.349 542 HE3 MET 70 3HE MET 70 -1.767 -0.330 2.007 543 H VAL 71 H VAL 71 -0.300 1.727 7.055 544 HA VAL 71 HA VAL 71 2.438 2.554 7.045 545 HB VAL 71 HB VAL 71 0.262 4.053 7.124 546 HG11 VAL 71 1HG1 VAL 71 -0.362 4.998 9.286 547 HG12 VAL 71 2HG1 VAL 71 0.764 3.912 10.100 548 HG13 VAL 71 3HG1 VAL 71 -0.643 3.252 9.269 549 HG21 VAL 71 1HG2 VAL 71 2.780 4.878 8.614 550 HG22 VAL 71 2HG2 VAL 71 1.578 5.989 7.948 551 HG23 VAL 71 3HG2 VAL 71 2.522 4.962 6.870 552 H ALA 72 H ALA 72 0.279 1.116 9.385 553 HA ALA 72 HA ALA 72 2.054 1.400 11.655 554 HB1 ALA 72 1HB ALA 72 -0.386 1.631 11.896 555 HB2 ALA 72 2HB ALA 72 0.245 0.328 12.910 556 HB3 ALA 72 3HB ALA 72 -0.596 -0.050 11.401 557 H LEU 73 H LEU 73 1.201 -1.069 9.309 558 HA LEU 73 HA LEU 73 2.251 -3.399 10.451 559 HB2 LEU 73 2HB LEU 73 1.180 -3.926 8.466 560 HB3 LEU 73 1HB LEU 73 1.582 -2.389 7.735 561 HG LEU 73 HG LEU 73 3.951 -3.354 7.398 562 HD11 LEU 73 1HD1 LEU 73 3.838 -5.282 8.840 563 HD12 LEU 73 2HD1 LEU 73 4.140 -5.791 7.179 564 HD13 LEU 73 3HD1 LEU 73 2.527 -5.979 7.879 565 HD21 LEU 73 1HD2 LEU 73 2.417 -2.893 5.587 566 HD22 LEU 73 2HD2 LEU 73 1.654 -4.471 5.787 567 HD23 LEU 73 3HD2 LEU 73 3.336 -4.362 5.262 568 H VAL 74 H VAL 74 3.737 -0.866 8.460 569 HA VAL 74 HA VAL 74 6.349 -1.859 8.358 570 HB VAL 74 HB VAL 74 5.437 1.051 8.216 571 HG11 VAL 74 1HG1 VAL 74 8.117 -0.173 7.407 572 HG12 VAL 74 2HG1 VAL 74 7.845 0.947 8.744 573 HG13 VAL 74 3HG1 VAL 74 7.617 1.491 7.083 574 HG21 VAL 74 1HG2 VAL 74 6.009 -0.952 5.982 575 HG22 VAL 74 2HG2 VAL 74 5.576 0.744 5.752 576 HG23 VAL 74 3HG2 VAL 74 4.415 -0.372 6.471 577 H GLN 75 H GLN 75 4.856 0.472 10.616 578 HA GLN 75 HA GLN 75 7.157 1.069 12.156 579 HB2 GLN 75 2HB GLN 75 4.246 1.075 13.090 580 HB3 GLN 75 1HB GLN 75 5.572 1.986 13.811 581 HG2 GLN 75 2HG GLN 75 5.778 3.320 11.741 582 HG3 GLN 75 1HG GLN 75 4.471 2.387 11.019 583 HE21 GLN 75 1HE2 GLN 75 4.625 5.238 11.429 584 HE22 GLN 75 2HE2 GLN 75 3.271 5.678 12.411 585 H ARG 76 H ARG 76 5.046 -1.712 12.237 586 HA ARG 76 HA ARG 76 5.870 -2.635 14.870 587 HB2 ARG 76 2HB ARG 76 4.107 -3.879 12.730 588 HB3 ARG 76 1HB ARG 76 4.434 -4.638 14.288 589 HG2 ARG 76 2HG ARG 76 3.337 -2.849 15.481 590 HG3 ARG 76 1HG ARG 76 3.192 -1.881 14.014 591 HD2 ARG 76 2HD ARG 76 1.657 -3.574 13.074 592 HD3 ARG 76 1HD ARG 76 1.779 -4.507 14.570 593 HE ARG 76 HE ARG 76 0.924 -1.755 14.909 594 HH11 ARG 76 1HH1 ARG 76 -0.184 -5.049 14.459 595 HH12 ARG 76 2HH1 ARG 76 -1.765 -4.732 15.086 596 HH21 ARG 76 1HH2 ARG 76 -1.176 -1.351 15.686 597 HH22 ARG 76 2HH2 ARG 76 -2.327 -2.643 15.778 598 H LEU 77 H LEU 77 6.458 -3.557 11.439 599 HA LEU 77 HA LEU 77 8.174 -5.747 12.114 600 HB2 LEU 77 2HB LEU 77 8.817 -5.817 9.726 601 HB3 LEU 77 1HB LEU 77 7.091 -5.834 9.982 602 HG LEU 77 HG LEU 77 7.134 -3.322 9.382 603 HD11 LEU 77 1HD1 LEU 77 9.485 -2.811 9.510 604 HD12 LEU 77 2HD1 LEU 77 8.919 -2.550 7.863 605 HD13 LEU 77 3HD1 LEU 77 9.864 -3.992 8.252 606 HD21 LEU 77 1HD2 LEU 77 6.161 -5.020 7.941 607 HD22 LEU 77 2HD2 LEU 77 7.736 -5.339 7.209 608 HD23 LEU 77 3HD2 LEU 77 6.955 -3.769 6.988 609 H LYS 78 H LYS 78 8.672 -2.317 11.724 610 HA LYS 78 HA LYS 78 11.440 -2.089 11.409 611 HB2 LYS 78 2HB LYS 78 9.444 -0.342 12.894 612 HB3 LYS 78 1HB LYS 78 11.120 0.136 12.684 613 HG2 LYS 78 2HG LYS 78 9.180 -0.419 10.416 614 HG3 LYS 78 1HG LYS 78 9.541 1.182 11.040 615 HD2 LYS 78 2HD LYS 78 11.740 -0.602 9.956 616 HD3 LYS 78 1HD LYS 78 10.742 0.356 8.865 617 HE2 LYS 78 2HE LYS 78 12.796 1.564 9.355 618 HE3 LYS 78 1HE LYS 78 11.436 2.414 10.089 619 HZ1 LYS 78 1HZ LYS 78 12.028 1.525 12.215 620 HZ2 LYS 78 2HZ LYS 78 13.390 2.252 11.537 621 HZ3 LYS 78 3HZ LYS 78 13.247 0.572 11.545 622 H ALA 79 H ALA 79 9.514 -2.791 14.258 623 HA ALA 79 HA ALA 79 11.560 -2.472 16.227 624 HB1 ALA 79 1HB ALA 79 9.923 -3.518 17.761 625 HB2 ALA 79 2HB ALA 79 8.905 -3.944 16.382 626 HB3 ALA 79 3HB ALA 79 9.173 -2.249 16.790 627 H HIS 80 H HIS 80 10.758 -4.995 14.003 628 HA HIS 80 HA HIS 80 11.919 -7.196 15.493 629 HB2 HIS 80 2HB HIS 80 10.845 -6.947 12.652 630 HB3 HIS 80 1HB HIS 80 11.612 -8.425 13.233 631 HD1 HIS 80 HD1 HIS 80 8.408 -7.470 12.584 632 HD2 HIS 80 HD2 HIS 80 10.206 -8.891 16.047 633 HE1 HIS 80 HE1 HIS 80 6.554 -8.437 13.966 634 HE2 HIS 80 HE2 HIS 80 7.680 -9.412 15.987 635 HA PRO 81 HA PRO 81 16.147 -6.610 14.128 636 HB2 PRO 81 2HB PRO 81 17.178 -9.102 14.571 637 HB3 PRO 81 1HB PRO 81 16.669 -8.053 15.912 638 HG2 PRO 81 2HG PRO 81 15.161 -10.321 14.634 639 HG3 PRO 81 1HG PRO 81 15.396 -9.968 16.362 640 HD2 PRO 81 2HD PRO 81 13.111 -9.278 15.030 641 HD3 PRO 81 1HD PRO 81 13.745 -8.318 16.389 642 H GLU 82 H GLU 82 14.082 -9.010 12.624 643 HA GLU 82 HA GLU 82 15.703 -9.781 10.420 644 HB2 GLU 82 2HB GLU 82 12.655 -9.635 10.576 645 HB3 GLU 82 1HB GLU 82 13.576 -10.510 9.357 646 HG2 GLU 82 2HG GLU 82 13.419 -11.137 12.317 647 HG3 GLU 82 1HG GLU 82 12.715 -12.071 10.994 648 H GLN 83 H GLN 83 13.535 -7.112 11.041 649 HA GLN 83 HA GLN 83 13.994 -5.905 8.373 650 HB2 GLN 83 2HB GLN 83 11.864 -5.270 10.451 651 HB3 GLN 83 1HB GLN 83 11.937 -4.646 8.810 652 HG2 GLN 83 2HG GLN 83 11.522 -7.566 9.535 653 HG3 GLN 83 1HG GLN 83 10.232 -6.435 9.123 654 HE21 GLN 83 1HE2 GLN 83 10.110 -5.641 6.983 655 HE22 GLN 83 2HE2 GLN 83 10.864 -6.473 5.676 656 H GLY 84 H GLY 84 15.826 -5.904 10.769 657 HA2 GLY 84 2HA GLY 84 15.886 -3.335 11.977 658 HA3 GLY 84 1HA GLY 84 17.217 -4.484 11.892 659 H GLY 85 H GLY 85 16.704 -1.441 11.280 660 HA2 GLY 85 2HA GLY 85 17.449 -0.990 8.576 661 HA3 GLY 85 1HA GLY 85 17.558 0.169 9.894 662 H ALA 86 H ALA 86 19.229 -2.161 7.984 663 HA ALA 86 HA ALA 86 21.462 -2.850 9.451 664 HB1 ALA 86 1HB ALA 86 22.520 -3.417 7.296 665 HB2 ALA 86 2HB ALA 86 21.299 -2.472 6.439 666 HB3 ALA 86 3HB ALA 86 20.830 -3.923 7.326 667 H ALA 87 H ALA 87 21.177 -0.133 7.143 668 HA ALA 87 HA ALA 87 22.883 1.544 8.759 669 HB1 ALA 87 1HB ALA 87 24.602 0.300 7.500 670 HB2 ALA 87 2HB ALA 87 24.573 1.996 7.007 671 HB3 ALA 87 3HB ALA 87 23.838 0.760 5.979 672 H LEU 88 H LEU 88 21.630 3.338 8.750 673 HA LEU 88 HA LEU 88 20.366 4.379 6.349 674 HB2 LEU 88 2HB LEU 88 19.368 4.730 8.637 675 HB3 LEU 88 1HB LEU 88 20.770 5.696 9.077 676 HG LEU 88 HG LEU 88 20.174 7.352 7.301 677 HD11 LEU 88 1HD1 LEU 88 17.685 5.661 6.872 678 HD12 LEU 88 2HD1 LEU 88 19.004 5.895 5.724 679 HD13 LEU 88 3HD1 LEU 88 17.979 7.255 6.171 680 HD21 LEU 88 1HD2 LEU 88 18.233 8.348 8.435 681 HD22 LEU 88 2HD2 LEU 88 19.424 7.752 9.588 682 HD23 LEU 88 3HD2 LEU 88 17.945 6.832 9.294 683 H GLU 89 H GLU 89 22.273 4.327 5.082 684 HA GLU 89 HA GLU 89 24.607 5.889 5.861 685 HB2 GLU 89 2HB GLU 89 25.573 4.876 3.716 686 HB3 GLU 89 1HB GLU 89 25.185 3.765 5.018 687 HG2 GLU 89 2HG GLU 89 23.019 3.241 3.803 688 HG3 GLU 89 1HG GLU 89 23.629 4.185 2.446 689 H282 PNS 101 3H28 PNS 136 -0.036 -12.006 -2.978 690 H281 PNS 101 2H28 PNS 136 0.190 -10.333 -3.484 691 H303 PNS 101 3H51 PNS 136 3.489 -11.274 -2.110 692 H302 PNS 101 2H51 PNS 136 2.161 -10.124 -1.992 693 H301 PNS 101 1H51 PNS 136 1.926 -11.798 -1.466 694 H313 PNS 101 3H52 PNS 136 2.316 -10.870 -5.634 695 H312 PNS 101 2H52 PNS 136 3.722 -10.745 -4.581 696 H311 PNS 101 1H52 PNS 136 2.397 -9.581 -4.424 697 H32 PNS 101 H32 PNS 136 1.836 -13.644 -3.194 698 H33 PNS 101 H33 PNS 136 0.978 -13.348 -5.292 699 H36 PNS 101 H36 PNS 136 4.069 -13.088 -5.781 700 H372 PNS 101 3H37 PNS 136 6.456 -13.728 -4.126 701 H371 PNS 101 2H37 PNS 136 6.153 -14.416 -5.717 702 H382 PNS 101 3H38 PNS 136 6.697 -11.497 -5.122 703 H381 PNS 101 2H38 PNS 136 7.841 -12.630 -5.827 704 H41 PNS 101 H41 PNS 136 4.937 -10.767 -6.350 705 H422 PNS 101 3H42 PNS 136 4.082 -11.443 -8.874 706 H421 PNS 101 2H42 PNS 136 5.412 -10.313 -9.119 707 H431 PNS 101 2H43 PNS 136 2.926 -9.773 -7.465 708 H432 PNS 101 3H43 PNS 136 4.254 -8.635 -7.748 709 H44 PNS 101 H44 PNS 136 3.878 -8.581 -10.538 Start of MODEL 7 1 H1 MET 1 1H MET 1 2.350 16.270 1.206 2 H2 MET 1 2H MET 1 2.778 15.494 2.644 3 H3 MET 1 3H MET 1 1.324 16.349 2.544 4 HA MET 1 HA MET 1 0.988 13.962 2.450 5 HB2 MET 1 2HB MET 1 -0.502 13.946 0.477 6 HB3 MET 1 1HB MET 1 -0.626 15.471 1.336 7 HG2 MET 1 2HG MET 1 1.185 16.227 -0.480 8 HG3 MET 1 1HG MET 1 0.442 14.921 -1.397 9 HE1 MET 1 1HE MET 1 -2.690 15.172 -0.291 10 HE2 MET 1 2HE MET 1 -2.222 14.870 -1.965 11 HE3 MET 1 3HE MET 1 -3.318 16.199 -1.578 12 H LEU 2 H LEU 2 1.419 11.968 1.431 13 HA LEU 2 HA LEU 2 3.662 11.781 -0.476 14 HB2 LEU 2 2HB LEU 2 4.712 11.975 1.732 15 HB3 LEU 2 1HB LEU 2 3.678 10.717 2.383 16 HG LEU 2 HG LEU 2 4.823 9.052 0.871 17 HD11 LEU 2 1HD1 LEU 2 5.566 10.556 -0.905 18 HD12 LEU 2 2HD1 LEU 2 6.918 9.641 -0.245 19 HD13 LEU 2 3HD1 LEU 2 6.702 11.336 0.202 20 HD21 LEU 2 1HD2 LEU 2 6.890 8.891 2.165 21 HD22 LEU 2 2HD2 LEU 2 5.535 9.299 3.210 22 HD23 LEU 2 3HD2 LEU 2 6.692 10.548 2.739 23 H GLU 3 H GLU 3 1.484 10.060 1.701 24 HA GLU 3 HA GLU 3 1.297 7.630 0.257 25 HB2 GLU 3 2HB GLU 3 -0.468 7.027 1.749 26 HB3 GLU 3 1HB GLU 3 0.752 7.880 2.679 27 HG2 GLU 3 2HG GLU 3 -1.847 9.076 1.693 28 HG3 GLU 3 1HG GLU 3 -1.566 8.456 3.307 29 H SER 4 H SER 4 -0.295 10.683 -0.108 30 HA SER 4 HA SER 4 -2.432 9.998 -1.805 31 HB2 SER 4 2HB SER 4 -0.704 12.509 -1.913 32 HB3 SER 4 1HB SER 4 -2.357 12.342 -2.513 33 HG SER 4 HG SER 4 -2.773 11.703 -0.183 34 H LYS 5 H LYS 5 1.015 10.173 -2.407 35 HA LYS 5 HA LYS 5 0.804 10.244 -5.284 36 HB2 LYS 5 2HB LYS 5 2.689 11.363 -4.141 37 HB3 LYS 5 1HB LYS 5 3.242 9.813 -3.508 38 HG2 LYS 5 2HG LYS 5 3.666 9.019 -5.813 39 HG3 LYS 5 1HG LYS 5 3.097 10.564 -6.450 40 HD2 LYS 5 2HD LYS 5 4.968 11.728 -5.379 41 HD3 LYS 5 1HD LYS 5 5.513 10.223 -4.630 42 HE2 LYS 5 2HE LYS 5 5.919 9.266 -6.876 43 HE3 LYS 5 1HE LYS 5 5.390 10.778 -7.617 44 HZ1 LYS 5 1HZ LYS 5 7.229 11.897 -6.558 45 HZ2 LYS 5 2HZ LYS 5 7.781 10.614 -7.507 46 HZ3 LYS 5 3HZ LYS 5 7.726 10.458 -5.825 47 H LEU 6 H LEU 6 1.406 7.683 -2.810 48 HA LEU 6 HA LEU 6 2.087 5.646 -4.697 49 HB2 LEU 6 2HB LEU 6 1.700 3.986 -2.910 50 HB3 LEU 6 1HB LEU 6 2.693 5.319 -2.371 51 HG LEU 6 HG LEU 6 0.459 6.260 -1.360 52 HD11 LEU 6 1HD1 LEU 6 -1.144 4.605 -0.549 53 HD12 LEU 6 2HD1 LEU 6 -0.336 3.341 -1.480 54 HD13 LEU 6 3HD1 LEU 6 -1.122 4.685 -2.307 55 HD21 LEU 6 1HD2 LEU 6 2.426 5.579 -0.058 56 HD22 LEU 6 2HD2 LEU 6 1.812 3.924 0.012 57 HD23 LEU 6 3HD2 LEU 6 0.906 5.247 0.771 58 H ILE 7 H ILE 7 -0.967 6.901 -3.501 59 HA ILE 7 HA ILE 7 -2.768 5.111 -4.739 60 HB ILE 7 HB ILE 7 -3.040 8.129 -4.411 61 HG12 ILE 7 2HG1 ILE 7 -4.179 5.994 -2.557 62 HG13 ILE 7 1HG1 ILE 7 -2.638 6.797 -2.268 63 HG21 ILE 7 1HG2 ILE 7 -5.261 6.095 -4.843 64 HG22 ILE 7 2HG2 ILE 7 -4.655 7.203 -6.073 65 HG23 ILE 7 3HG2 ILE 7 -5.462 7.836 -4.630 66 HD11 ILE 7 1HD1 ILE 7 -5.323 8.163 -2.441 67 HD12 ILE 7 2HD1 ILE 7 -3.774 8.956 -2.142 68 HD13 ILE 7 3HD1 ILE 7 -4.418 7.807 -0.972 69 H ASN 8 H ASN 8 -1.579 8.285 -5.913 70 HA ASN 8 HA ASN 8 -2.771 8.214 -8.450 71 HB2 ASN 8 2HB ASN 8 -1.828 10.252 -7.214 72 HB3 ASN 8 1HB ASN 8 -0.232 9.761 -7.769 73 HD21 ASN 8 1HD2 ASN 8 0.252 9.952 -10.004 74 HD22 ASN 8 2HD2 ASN 8 -0.707 10.912 -11.069 75 H HIS 9 H HIS 9 0.192 6.850 -7.311 76 HA HIS 9 HA HIS 9 1.701 6.498 -9.613 77 HB2 HIS 9 2HB HIS 9 2.456 6.096 -7.242 78 HB3 HIS 9 1HB HIS 9 1.515 4.615 -7.220 79 HD1 HIS 9 HD1 HIS 9 4.848 5.744 -7.699 80 HD2 HIS 9 HD2 HIS 9 2.522 2.785 -9.456 81 HE1 HIS 9 HE1 HIS 9 6.473 4.125 -8.706 82 HE2 HIS 9 HE2 HIS 9 5.041 2.235 -9.541 83 H ILE 10 H ILE 10 -0.376 3.997 -8.026 84 HA ILE 10 HA ILE 10 -0.374 2.431 -10.488 85 HB ILE 10 HB ILE 10 -1.727 0.758 -9.221 86 HG12 ILE 10 2HG1 ILE 10 -1.407 1.228 -6.517 87 HG13 ILE 10 1HG1 ILE 10 -1.723 2.862 -7.075 88 HG21 ILE 10 1HG2 ILE 10 0.666 0.521 -9.414 89 HG22 ILE 10 2HG2 ILE 10 0.144 -0.054 -7.831 90 HG23 ILE 10 3HG2 ILE 10 0.926 1.522 -7.983 91 HD11 ILE 10 1HD1 ILE 10 -3.729 1.818 -6.326 92 HD12 ILE 10 2HD1 ILE 10 -3.491 0.454 -7.415 93 HD13 ILE 10 3HD1 ILE 10 -3.824 2.062 -8.070 94 H ALA 11 H ALA 11 -2.588 4.614 -8.838 95 HA ALA 11 HA ALA 11 -4.999 4.179 -10.082 96 HB1 ALA 11 1HB ALA 11 -5.460 6.567 -9.839 97 HB2 ALA 11 2HB ALA 11 -3.740 6.897 -9.613 98 HB3 ALA 11 3HB ALA 11 -4.624 5.960 -8.408 99 H THR 12 H THR 12 -2.005 5.262 -11.529 100 HA THR 12 HA THR 12 -2.975 6.330 -13.974 101 HB THR 12 HB THR 12 -0.290 5.028 -13.351 102 HG1 THR 12 HG1 THR 12 -1.304 7.179 -12.350 103 HG21 THR 12 1HG2 THR 12 -1.048 6.874 -15.658 104 HG22 THR 12 2HG2 THR 12 -0.617 5.171 -15.801 105 HG23 THR 12 3HG2 THR 12 0.595 6.331 -15.269 106 H GLN 13 H GLN 13 -1.942 3.047 -13.048 107 HA GLN 13 HA GLN 13 -2.629 1.924 -15.685 108 HB2 GLN 13 2HB GLN 13 -1.513 -0.140 -14.902 109 HB3 GLN 13 1HB GLN 13 -0.455 1.258 -14.775 110 HG2 GLN 13 2HG GLN 13 -0.763 1.360 -12.382 111 HG3 GLN 13 1HG GLN 13 -1.995 0.104 -12.435 112 HE21 GLN 13 1HE2 GLN 13 1.016 -0.074 -14.299 113 HE22 GLN 13 2HE2 GLN 13 1.693 -1.373 -13.392 114 H PHE 14 H PHE 14 -4.093 2.351 -12.682 115 HA PHE 14 HA PHE 14 -5.782 -0.056 -12.859 116 HB2 PHE 14 2HB PHE 14 -4.705 1.572 -10.570 117 HB3 PHE 14 1HB PHE 14 -6.344 0.942 -10.364 118 HD1 PHE 14 HD1 PHE 14 -5.502 -0.369 -8.422 119 HD2 PHE 14 HD2 PHE 14 -3.949 -1.031 -12.365 120 HE1 PHE 14 HE1 PHE 14 -4.590 -2.529 -7.721 121 HE2 PHE 14 HE2 PHE 14 -3.045 -3.187 -11.640 122 HZ PHE 14 HZ PHE 14 -3.365 -3.945 -9.321 123 H LEU 15 H LEU 15 -5.926 3.471 -12.834 124 HA LEU 15 HA LEU 15 -8.903 3.359 -13.017 125 HB2 LEU 15 2HB LEU 15 -7.334 5.452 -11.465 126 HB3 LEU 15 1HB LEU 15 -9.079 5.295 -11.567 127 HG LEU 15 HG LEU 15 -7.179 3.425 -10.094 128 HD11 LEU 15 1HD1 LEU 15 -8.258 4.290 -8.086 129 HD12 LEU 15 2HD1 LEU 15 -9.247 5.391 -9.047 130 HD13 LEU 15 3HD1 LEU 15 -7.490 5.578 -9.005 131 HD21 LEU 15 1HD2 LEU 15 -9.199 2.274 -9.246 132 HD22 LEU 15 2HD2 LEU 15 -9.046 2.112 -10.990 133 HD23 LEU 15 3HD2 LEU 15 -10.220 3.244 -10.316 134 H ASP 16 H ASP 16 -6.487 3.918 -14.954 135 HA ASP 16 HA ASP 16 -6.189 5.114 -16.874 136 HB2 ASP 16 2HB ASP 16 -8.706 4.858 -17.068 137 HB3 ASP 16 1HB ASP 16 -8.891 6.400 -16.265 138 H GLY 17 H GLY 17 -5.346 6.087 -14.222 139 HA2 GLY 17 2HA GLY 17 -3.914 7.853 -13.653 140 HA3 GLY 17 1HA GLY 17 -4.627 8.854 -14.903 141 H GLU 18 H GLU 18 -7.285 7.666 -13.463 142 HA GLU 18 HA GLU 18 -7.742 10.246 -12.199 143 HB2 GLU 18 2HB GLU 18 -9.992 9.888 -12.605 144 HB3 GLU 18 1HB GLU 18 -9.356 8.740 -13.779 145 HG2 GLU 18 2HG GLU 18 -9.689 6.929 -12.052 146 HG3 GLU 18 1HG GLU 18 -10.510 8.117 -11.041 147 H LYS 19 H LYS 19 -8.096 10.582 -10.026 148 HA LYS 19 HA LYS 19 -7.824 8.299 -8.169 149 HB2 LYS 19 2HB LYS 19 -7.491 11.273 -7.663 150 HB3 LYS 19 1HB LYS 19 -7.312 9.997 -6.456 151 HG2 LYS 19 2HG LYS 19 -5.496 9.033 -8.081 152 HG3 LYS 19 1HG LYS 19 -5.513 10.644 -8.797 153 HD2 LYS 19 2HD LYS 19 -5.031 10.083 -5.859 154 HD3 LYS 19 1HD LYS 19 -3.748 10.309 -7.045 155 HE2 LYS 19 2HE LYS 19 -4.543 12.605 -7.479 156 HE3 LYS 19 1HE LYS 19 -5.854 12.374 -6.318 157 HZ1 LYS 19 1HZ LYS 19 -2.962 12.279 -5.687 158 HZ2 LYS 19 2HZ LYS 19 -4.230 12.110 -4.580 159 HZ3 LYS 19 3HZ LYS 19 -3.997 13.578 -5.380 160 H ASP 20 H ASP 20 -9.809 7.513 -7.935 161 HA ASP 20 HA ASP 20 -11.890 9.016 -6.640 162 HB2 ASP 20 2HB ASP 20 -12.178 9.682 -9.070 163 HB3 ASP 20 1HB ASP 20 -12.445 7.988 -9.471 164 H GLY 21 H GLY 21 -12.559 7.589 -5.172 165 HA2 GLY 21 2HA GLY 21 -13.539 5.640 -4.336 166 HA3 GLY 21 1HA GLY 21 -13.218 4.815 -5.853 167 H LEU 22 H LEU 22 -10.362 5.931 -5.597 168 HA LEU 22 HA LEU 22 -9.254 3.948 -3.705 169 HB2 LEU 22 2HB LEU 22 -8.728 3.570 -6.096 170 HB3 LEU 22 1HB LEU 22 -8.076 5.187 -6.218 171 HG LEU 22 HG LEU 22 -6.256 4.511 -4.583 172 HD11 LEU 22 1HD1 LEU 22 -7.320 1.699 -5.000 173 HD12 LEU 22 2HD1 LEU 22 -7.384 2.620 -3.495 174 HD13 LEU 22 3HD1 LEU 22 -5.826 2.136 -4.162 175 HD21 LEU 22 1HD2 LEU 22 -6.357 2.864 -7.137 176 HD22 LEU 22 2HD2 LEU 22 -4.916 3.353 -6.239 177 HD23 LEU 22 3HD2 LEU 22 -5.903 4.571 -7.036 178 H ASP 23 H ASP 23 -8.830 5.034 -1.901 179 HA ASP 23 HA ASP 23 -6.832 7.160 -1.981 180 HB2 ASP 23 2HB ASP 23 -8.956 8.419 -1.818 181 HB3 ASP 23 1HB ASP 23 -9.467 7.437 -0.450 182 H SER 24 H SER 24 -5.796 7.443 0.152 183 HA SER 24 HA SER 24 -4.915 5.027 1.253 184 HB2 SER 24 2HB SER 24 -4.735 7.838 2.412 185 HB3 SER 24 1HB SER 24 -3.702 6.474 2.839 186 HG SER 24 HG SER 24 -2.656 6.660 0.980 187 H GLN 25 H GLN 25 -7.294 7.410 2.514 188 HA GLN 25 HA GLN 25 -7.760 5.983 4.989 189 HB2 GLN 25 2HB GLN 25 -9.486 8.148 3.713 190 HB3 GLN 25 1HB GLN 25 -9.519 7.633 5.398 191 HG2 GLN 25 2HG GLN 25 -7.256 8.528 5.730 192 HG3 GLN 25 1HG GLN 25 -7.191 9.010 4.032 193 HE21 GLN 25 1HE2 GLN 25 -6.959 11.190 4.468 194 HE22 GLN 25 2HE2 GLN 25 -8.214 12.160 5.156 195 H THR 26 H THR 26 -8.897 5.695 1.795 196 HA THR 26 HA THR 26 -11.550 4.760 2.264 197 HB THR 26 HB THR 26 -9.730 4.683 -0.170 198 HG1 THR 26 HG1 THR 26 -10.581 6.729 0.673 199 HG21 THR 26 1HG2 THR 26 -11.335 2.863 -0.437 200 HG22 THR 26 2HG2 THR 26 -11.779 4.198 -1.500 201 HG23 THR 26 3HG2 THR 26 -12.670 3.932 0.003 202 HA PRO 27 HA PRO 27 -10.520 0.465 3.265 203 HB2 PRO 27 2HB PRO 27 -12.971 -0.672 2.833 204 HB3 PRO 27 1HB PRO 27 -12.619 0.329 4.265 205 HG2 PRO 27 2HG PRO 27 -14.002 1.117 1.712 206 HG3 PRO 27 1HG PRO 27 -14.461 1.486 3.387 207 HD2 PRO 27 2HD PRO 27 -13.174 3.290 1.848 208 HD3 PRO 27 1HD PRO 27 -12.874 3.188 3.591 209 H LEU 28 H LEU 28 -9.133 -0.251 1.723 210 HA LEU 28 HA LEU 28 -9.666 -0.285 -1.070 211 HB2 LEU 28 2HB LEU 28 -7.478 -1.762 0.432 212 HB3 LEU 28 1HB LEU 28 -7.473 -1.351 -1.274 213 HG LEU 28 HG LEU 28 -7.291 0.619 1.045 214 HD11 LEU 28 1HD1 LEU 28 -5.009 1.066 0.259 215 HD12 LEU 28 2HD1 LEU 28 -5.174 -0.193 -0.970 216 HD13 LEU 28 3HD1 LEU 28 -5.218 -0.617 0.744 217 HD21 LEU 28 1HD2 LEU 28 -6.930 2.371 -0.664 218 HD22 LEU 28 2HD2 LEU 28 -8.536 1.657 -0.761 219 HD23 LEU 28 3HD2 LEU 28 -7.298 1.201 -1.934 220 H PHE 29 H PHE 29 -9.949 -2.760 1.435 221 HA PHE 29 HA PHE 29 -10.405 -4.946 -0.407 222 HB2 PHE 29 2HB PHE 29 -10.185 -4.658 2.561 223 HB3 PHE 29 1HB PHE 29 -11.247 -5.953 2.031 224 HD1 PHE 29 HD1 PHE 29 -7.815 -4.593 1.355 225 HD2 PHE 29 HD2 PHE 29 -10.320 -8.048 1.651 226 HE1 PHE 29 HE1 PHE 29 -5.885 -6.052 1.013 227 HE2 PHE 29 HE2 PHE 29 -8.373 -9.497 1.312 228 HZ PHE 29 HZ PHE 29 -6.154 -8.498 0.991 229 H GLU 30 H GLU 30 -12.418 -2.857 1.612 230 HA GLU 30 HA GLU 30 -14.848 -4.288 1.353 231 HB2 GLU 30 2HB GLU 30 -14.523 -2.565 3.087 232 HB3 GLU 30 1HB GLU 30 -14.374 -1.320 1.855 233 HG2 GLU 30 2HG GLU 30 -16.575 -1.245 2.936 234 HG3 GLU 30 1HG GLU 30 -16.722 -1.626 1.219 235 H LEU 31 H LEU 31 -13.426 -1.642 -0.510 236 HA LEU 31 HA LEU 31 -15.652 -1.643 -2.425 237 HB2 LEU 31 2HB LEU 31 -13.171 0.105 -2.410 238 HB3 LEU 31 1HB LEU 31 -14.616 0.341 -3.380 239 HG LEU 31 HG LEU 31 -14.255 0.796 -0.399 240 HD11 LEU 31 1HD1 LEU 31 -15.206 2.660 -2.594 241 HD12 LEU 31 2HD1 LEU 31 -13.580 2.610 -1.910 242 HD13 LEU 31 3HD1 LEU 31 -14.945 3.068 -0.894 243 HD21 LEU 31 1HD2 LEU 31 -16.920 0.756 -1.875 244 HD22 LEU 31 2HD2 LEU 31 -16.665 1.336 -0.227 245 HD23 LEU 31 3HD2 LEU 31 -16.400 -0.362 -0.609 246 H ASN 32 H ASN 32 -12.568 -3.050 -2.017 247 HA ASN 32 HA ASN 32 -11.274 -4.458 -3.227 248 HB2 ASN 32 2HB ASN 32 -13.811 -4.750 -4.901 249 HB3 ASN 32 1HB ASN 32 -12.405 -5.792 -5.072 250 HD21 ASN 32 1HD2 ASN 32 -15.096 -4.931 -3.023 251 HD22 ASN 32 2HD2 ASN 32 -15.008 -6.321 -2.008 252 H ILE 33 H ILE 33 -11.019 -1.684 -3.840 253 HA ILE 33 HA ILE 33 -11.083 -1.196 -6.658 254 HB ILE 33 HB ILE 33 -9.593 0.383 -4.523 255 HG12 ILE 33 2HG1 ILE 33 -12.038 0.190 -4.016 256 HG13 ILE 33 1HG1 ILE 33 -11.572 1.843 -4.393 257 HG21 ILE 33 1HG2 ILE 33 -9.793 2.275 -6.159 258 HG22 ILE 33 2HG2 ILE 33 -10.454 1.151 -7.346 259 HG23 ILE 33 3HG2 ILE 33 -8.800 0.950 -6.765 260 HD11 ILE 33 1HD1 ILE 33 -12.964 -0.075 -6.258 261 HD12 ILE 33 2HD1 ILE 33 -12.495 1.583 -6.646 262 HD13 ILE 33 3HD1 ILE 33 -13.696 1.278 -5.394 263 H VAL 34 H VAL 34 -8.371 -1.622 -4.354 264 HA VAL 34 HA VAL 34 -6.470 -1.836 -6.573 265 HB VAL 34 HB VAL 34 -5.874 -0.536 -4.517 266 HG11 VAL 34 1HG1 VAL 34 -6.861 -1.976 -2.776 267 HG12 VAL 34 2HG1 VAL 34 -5.159 -1.658 -2.447 268 HG13 VAL 34 3HG1 VAL 34 -5.651 -3.221 -3.105 269 HG21 VAL 34 1HG2 VAL 34 -3.974 -2.824 -5.141 270 HG22 VAL 34 2HG2 VAL 34 -3.528 -1.312 -4.346 271 HG23 VAL 34 3HG2 VAL 34 -4.099 -1.296 -6.016 272 H ASP 35 H ASP 35 -5.607 -3.680 -7.300 273 HA ASP 35 HA ASP 35 -6.462 -6.273 -6.326 274 HB2 ASP 35 2HB ASP 35 -6.372 -5.833 -8.764 275 HB3 ASP 35 1HB ASP 35 -4.662 -5.493 -8.670 276 H SER 36 H SER 36 -4.782 -7.961 -6.116 277 HA SER 36 HA SER 36 -3.155 -7.281 -3.885 278 HB2 SER 36 2HB SER 36 -2.871 -9.596 -3.596 279 HB3 SER 36 1HB SER 36 -4.437 -9.504 -4.400 280 H ALA 37 H ALA 37 -2.541 -7.487 -7.279 281 HA ALA 37 HA ALA 37 0.248 -8.052 -7.313 282 HB1 ALA 37 1HB ALA 37 0.210 -7.189 -9.625 283 HB2 ALA 37 2HB ALA 37 -1.399 -6.510 -9.362 284 HB3 ALA 37 3HB ALA 37 -1.165 -8.258 -9.333 285 H ALA 38 H ALA 38 -1.613 -5.001 -7.291 286 HA ALA 38 HA ALA 38 0.604 -3.224 -7.529 287 HB1 ALA 38 1HB ALA 38 -1.007 -1.445 -6.947 288 HB2 ALA 38 2HB ALA 38 -2.192 -2.678 -6.513 289 HB3 ALA 38 3HB ALA 38 -1.648 -2.533 -8.182 290 H ILE 39 H ILE 39 -0.669 -4.985 -4.827 291 HA ILE 39 HA ILE 39 0.160 -3.508 -2.619 292 HB ILE 39 HB ILE 39 0.298 -6.525 -3.049 293 HG12 ILE 39 2HG1 ILE 39 -1.970 -5.588 -3.194 294 HG13 ILE 39 1HG1 ILE 39 -1.813 -6.573 -1.748 295 HG21 ILE 39 1HG2 ILE 39 0.643 -5.034 -0.410 296 HG22 ILE 39 2HG2 ILE 39 1.863 -6.010 -1.235 297 HG23 ILE 39 3HG2 ILE 39 0.425 -6.780 -0.561 298 HD11 ILE 39 1HD1 ILE 39 -1.626 -4.569 -0.386 299 HD12 ILE 39 2HD1 ILE 39 -3.103 -4.564 -1.349 300 HD13 ILE 39 3HD1 ILE 39 -1.738 -3.559 -1.835 301 H PHE 40 H PHE 40 2.075 -5.686 -4.719 302 HA PHE 40 HA PHE 40 4.548 -5.503 -3.358 303 HB2 PHE 40 2HB PHE 40 3.930 -7.249 -5.051 304 HB3 PHE 40 1HB PHE 40 4.041 -6.045 -6.324 305 HD1 PHE 40 HD1 PHE 40 6.041 -7.829 -3.725 306 HD2 PHE 40 HD2 PHE 40 6.181 -5.593 -7.369 307 HE1 PHE 40 HE1 PHE 40 8.426 -8.367 -3.978 308 HE2 PHE 40 HE2 PHE 40 8.568 -6.137 -7.608 309 HZ PHE 40 HZ PHE 40 9.691 -7.528 -5.914 310 H ASP 41 H ASP 41 2.986 -3.296 -5.583 311 HA ASP 41 HA ASP 41 5.314 -1.694 -6.184 312 HB2 ASP 41 2HB ASP 41 3.392 -1.778 -7.742 313 HB3 ASP 41 1HB ASP 41 2.344 -1.072 -6.514 314 H LEU 42 H LEU 42 2.394 -1.208 -4.192 315 HA LEU 42 HA LEU 42 3.083 1.210 -2.930 316 HB2 LEU 42 2HB LEU 42 1.125 -1.009 -2.278 317 HB3 LEU 42 1HB LEU 42 1.374 0.285 -1.121 318 HG LEU 42 HG LEU 42 0.601 1.966 -2.751 319 HD11 LEU 42 1HD1 LEU 42 -0.366 1.413 -4.908 320 HD12 LEU 42 2HD1 LEU 42 0.060 -0.286 -4.694 321 HD13 LEU 42 3HD1 LEU 42 1.329 0.930 -4.847 322 HD21 LEU 42 1HD2 LEU 42 -1.367 -0.321 -2.426 323 HD22 LEU 42 2HD2 LEU 42 -1.784 1.344 -2.838 324 HD23 LEU 42 3HD2 LEU 42 -1.063 0.984 -1.273 325 H VAL 43 H VAL 43 3.917 -2.073 -2.250 326 HA VAL 43 HA VAL 43 4.995 -2.006 0.310 327 HB VAL 43 HB VAL 43 5.551 -3.618 -2.192 328 HG11 VAL 43 1HG1 VAL 43 7.211 -5.066 -1.082 329 HG12 VAL 43 2HG1 VAL 43 7.261 -3.936 0.272 330 HG13 VAL 43 3HG1 VAL 43 7.802 -3.422 -1.324 331 HG21 VAL 43 1HG2 VAL 43 4.783 -5.535 -0.950 332 HG22 VAL 43 2HG2 VAL 43 3.626 -4.214 -0.743 333 HG23 VAL 43 3HG2 VAL 43 4.762 -4.603 0.549 334 H ASP 44 H ASP 44 6.728 -1.579 -2.809 335 HA ASP 44 HA ASP 44 9.198 -0.974 -1.542 336 HB2 ASP 44 2HB ASP 44 8.296 -0.799 -4.445 337 HB3 ASP 44 1HB ASP 44 9.938 -0.382 -3.949 338 H PHE 45 H PHE 45 6.569 1.028 -2.617 339 HA PHE 45 HA PHE 45 7.856 3.547 -2.591 340 HB2 PHE 45 2HB PHE 45 5.496 2.988 -3.441 341 HB3 PHE 45 1HB PHE 45 4.976 2.974 -1.764 342 HD1 PHE 45 HD1 PHE 45 5.882 5.085 -4.627 343 HD2 PHE 45 HD2 PHE 45 4.970 5.134 -0.433 344 HE1 PHE 45 HE1 PHE 45 5.517 7.521 -4.718 345 HE2 PHE 45 HE2 PHE 45 4.613 7.566 -0.549 346 HZ PHE 45 HZ PHE 45 4.884 8.757 -2.686 347 H LEU 46 H LEU 46 6.217 1.640 -0.043 348 HA LEU 46 HA LEU 46 6.726 3.440 2.113 349 HB2 LEU 46 2HB LEU 46 6.023 0.481 2.141 350 HB3 LEU 46 1HB LEU 46 6.083 1.482 3.580 351 HG LEU 46 HG LEU 46 4.096 1.651 1.284 352 HD11 LEU 46 1HD1 LEU 46 3.644 1.122 4.235 353 HD12 LEU 46 2HD1 LEU 46 3.614 -0.079 2.944 354 HD13 LEU 46 3HD1 LEU 46 2.403 1.198 2.980 355 HD21 LEU 46 1HD2 LEU 46 4.362 3.617 3.589 356 HD22 LEU 46 2HD2 LEU 46 3.038 3.570 2.422 357 HD23 LEU 46 3HD2 LEU 46 4.668 3.955 1.883 358 H ARG 47 H ARG 47 8.567 0.720 0.746 359 HA ARG 47 HA ARG 47 10.356 0.331 2.950 360 HB2 ARG 47 2HB ARG 47 11.081 -0.263 0.041 361 HB3 ARG 47 1HB ARG 47 11.753 -1.003 1.486 362 HG2 ARG 47 2HG ARG 47 9.178 -1.563 0.073 363 HG3 ARG 47 1HG ARG 47 10.396 -2.691 0.649 364 HD2 ARG 47 2HD ARG 47 8.477 -1.138 2.405 365 HD3 ARG 47 1HD ARG 47 8.233 -2.794 1.871 366 HE ARG 47 HE ARG 47 10.719 -2.438 3.264 367 HH11 ARG 47 1HH1 ARG 47 7.275 -2.837 3.810 368 HH12 ARG 47 2HH1 ARG 47 7.495 -3.560 5.363 369 HH21 ARG 47 1HH2 ARG 47 10.971 -3.578 5.216 370 HH22 ARG 47 2HH2 ARG 47 9.575 -3.989 6.160 371 H GLN 48 H GLN 48 10.401 2.221 0.055 372 HA GLN 48 HA GLN 48 12.967 3.259 -0.107 373 HB2 GLN 48 2HB GLN 48 11.331 3.380 -1.907 374 HB3 GLN 48 1HB GLN 48 10.234 4.325 -0.913 375 HG2 GLN 48 2HG GLN 48 11.942 6.192 -0.969 376 HG3 GLN 48 1HG GLN 48 12.840 5.233 -2.146 377 HE21 GLN 48 1HE2 GLN 48 9.301 5.450 -1.952 378 HE22 GLN 48 2HE2 GLN 48 9.095 6.263 -3.459 379 H GLU 49 H GLU 49 10.068 4.582 1.437 380 HA GLU 49 HA GLU 49 11.329 7.015 2.335 381 HB2 GLU 49 2HB GLU 49 8.555 5.824 2.752 382 HB3 GLU 49 1HB GLU 49 9.027 7.419 3.343 383 HG2 GLU 49 2HG GLU 49 8.914 6.528 0.443 384 HG3 GLU 49 1HG GLU 49 7.797 7.632 1.247 385 H SER 50 H SER 50 10.090 4.063 3.877 386 HA SER 50 HA SER 50 10.701 4.977 6.557 387 HB2 SER 50 2HB SER 50 8.684 3.565 5.976 388 HB3 SER 50 1HB SER 50 9.778 2.213 5.674 389 HG SER 50 HG SER 50 9.185 3.527 8.094 390 H LYS 51 H LYS 51 12.546 3.585 4.105 391 HA LYS 51 HA LYS 51 14.721 3.011 3.957 392 HB2 LYS 51 2HB LYS 51 14.835 3.988 6.841 393 HB3 LYS 51 1HB LYS 51 16.248 3.671 5.840 394 HG2 LYS 51 2HG LYS 51 14.120 5.762 5.276 395 HG3 LYS 51 1HG LYS 51 15.719 6.076 5.952 396 HD2 LYS 51 2HD LYS 51 16.783 5.295 3.873 397 HD3 LYS 51 1HD LYS 51 15.203 4.881 3.198 398 HE2 LYS 51 2HE LYS 51 16.126 7.678 3.940 399 HE3 LYS 51 1HE LYS 51 16.040 7.018 2.307 400 HZ1 LYS 51 1HZ LYS 51 13.714 7.362 4.123 401 HZ2 LYS 51 2HZ LYS 51 13.663 6.799 2.530 402 HZ3 LYS 51 3HZ LYS 51 14.117 8.395 2.848 403 H VAL 52 H VAL 52 12.898 0.978 4.507 404 HA VAL 52 HA VAL 52 14.537 -1.004 5.982 405 HB VAL 52 HB VAL 52 12.807 -0.352 7.556 406 HG11 VAL 52 1HG1 VAL 52 10.723 -0.982 5.425 407 HG12 VAL 52 2HG1 VAL 52 11.148 0.625 6.016 408 HG13 VAL 52 3HG1 VAL 52 10.381 -0.535 7.101 409 HG21 VAL 52 1HG2 VAL 52 13.400 -2.749 7.511 410 HG22 VAL 52 2HG2 VAL 52 12.105 -3.063 6.354 411 HG23 VAL 52 3HG2 VAL 52 11.714 -2.531 7.991 412 H SER 53 H SER 53 14.694 -2.936 4.992 413 HA SER 53 HA SER 53 13.586 -3.295 2.314 414 HB2 SER 53 2HB SER 53 15.517 -5.067 3.895 415 HB3 SER 53 1HB SER 53 15.168 -5.173 2.167 416 HG SER 53 HG SER 53 16.957 -3.966 2.212 417 H ILE 54 H ILE 54 12.632 -5.486 1.717 418 HA ILE 54 HA ILE 54 10.893 -6.499 3.893 419 HB ILE 54 HB ILE 54 9.781 -4.674 2.563 420 HG12 ILE 54 2HG1 ILE 54 8.335 -7.341 2.298 421 HG13 ILE 54 1HG1 ILE 54 8.535 -6.482 3.816 422 HG21 ILE 54 1HG2 ILE 54 8.904 -5.148 0.336 423 HG22 ILE 54 2HG2 ILE 54 9.824 -6.652 0.278 424 HG23 ILE 54 3HG2 ILE 54 10.667 -5.102 0.351 425 HD11 ILE 54 1HD1 ILE 54 6.352 -6.113 2.928 426 HD12 ILE 54 2HD1 ILE 54 7.016 -5.515 1.412 427 HD13 ILE 54 3HD1 ILE 54 7.255 -4.600 2.902 428 H GLY 55 H GLY 55 10.158 -8.573 3.732 429 HA2 GLY 55 2HA GLY 55 10.901 -10.228 1.366 430 HA3 GLY 55 1HA GLY 55 10.664 -10.841 2.996 431 H MET 56 H MET 56 9.251 -11.959 0.852 432 HA MET 56 HA MET 56 6.666 -10.923 0.402 433 HB2 MET 56 2HB MET 56 7.830 -13.710 0.200 434 HB3 MET 56 1HB MET 56 6.128 -13.423 -0.142 435 HG2 MET 56 2HG MET 56 8.426 -12.073 -1.587 436 HG3 MET 56 1HG MET 56 7.510 -13.465 -2.181 437 HE1 MET 56 1HE MET 56 7.013 -12.063 -4.433 438 HE2 MET 56 2HE MET 56 7.851 -10.642 -3.802 439 HE3 MET 56 3HE MET 56 6.212 -10.489 -4.444 440 H GLN 57 H GLN 57 7.925 -12.267 3.271 441 HA GLN 57 HA GLN 57 5.647 -13.393 4.510 442 HB2 GLN 57 2HB GLN 57 7.970 -11.903 5.825 443 HB3 GLN 57 1HB GLN 57 6.893 -13.045 6.621 444 HG2 GLN 57 2HG GLN 57 8.872 -13.712 4.417 445 HG3 GLN 57 1HG GLN 57 9.099 -14.037 6.133 446 HE21 GLN 57 1HE2 GLN 57 9.092 -15.907 3.888 447 HE22 GLN 57 2HE2 GLN 57 7.862 -17.069 4.227 448 H GLU 58 H GLU 58 6.878 -10.062 4.318 449 HA GLU 58 HA GLU 58 4.813 -8.945 6.064 450 HB2 GLU 58 2HB GLU 58 6.945 -7.521 4.423 451 HB3 GLU 58 1HB GLU 58 6.010 -6.825 5.740 452 HG2 GLU 58 2HG GLU 58 7.233 -7.954 7.382 453 HG3 GLU 58 1HG GLU 58 7.786 -9.201 6.263 454 H ILE 59 H ILE 59 5.529 -9.309 2.649 455 HA ILE 59 HA ILE 59 3.742 -7.314 1.625 456 HB ILE 59 HB ILE 59 4.815 -9.766 0.154 457 HG12 ILE 59 2HG1 ILE 59 5.992 -6.962 0.383 458 HG13 ILE 59 1HG1 ILE 59 6.684 -8.438 1.040 459 HG21 ILE 59 1HG2 ILE 59 2.892 -8.705 -0.994 460 HG22 ILE 59 2HG2 ILE 59 4.374 -8.504 -1.922 461 HG23 ILE 59 3HG2 ILE 59 3.729 -7.153 -0.982 462 HD11 ILE 59 1HD1 ILE 59 6.376 -7.761 -1.876 463 HD12 ILE 59 2HD1 ILE 59 7.067 -9.255 -1.232 464 HD13 ILE 59 3HD1 ILE 59 7.865 -7.712 -0.930 465 H HIS 60 H HIS 60 1.829 -7.631 2.692 466 HA HIS 60 HA HIS 60 0.089 -9.776 1.712 467 HB2 HIS 60 2HB HIS 60 0.741 -9.190 4.588 468 HB3 HIS 60 1HB HIS 60 -0.956 -9.473 4.222 469 HD1 HIS 60 HD1 HIS 60 2.398 -11.260 3.848 470 HD2 HIS 60 HD2 HIS 60 -1.691 -12.034 4.052 471 HE1 HIS 60 HE1 HIS 60 2.208 -13.756 4.066 472 HE2 HIS 60 HE2 HIS 60 -0.278 -14.215 4.007 473 HA PRO 61 HA PRO 61 -2.416 -6.097 0.993 474 HB2 PRO 61 2HB PRO 61 -4.708 -7.402 0.158 475 HB3 PRO 61 1HB PRO 61 -3.311 -7.125 -0.889 476 HG2 PRO 61 2HG PRO 61 -4.092 -9.607 0.583 477 HG3 PRO 61 1HG PRO 61 -3.432 -9.427 -1.059 478 HD2 PRO 61 2HD PRO 61 -1.888 -10.179 1.063 479 HD3 PRO 61 1HD PRO 61 -1.242 -9.240 -0.296 480 H ALA 62 H ALA 62 -3.196 -8.819 3.085 481 HA ALA 62 HA ALA 62 -5.287 -7.856 4.631 482 HB1 ALA 62 1HB ALA 62 -2.906 -9.484 5.566 483 HB2 ALA 62 2HB ALA 62 -4.394 -10.133 4.875 484 HB3 ALA 62 3HB ALA 62 -4.434 -9.316 6.438 485 H ASN 63 H ASN 63 -1.840 -7.219 4.835 486 HA ASN 63 HA ASN 63 -2.006 -5.493 7.169 487 HB2 ASN 63 2HB ASN 63 0.310 -6.284 5.348 488 HB3 ASN 63 1HB ASN 63 0.484 -5.270 6.777 489 HD21 ASN 63 1HD2 ASN 63 1.703 -7.854 6.181 490 HD22 ASN 63 2HD2 ASN 63 1.233 -8.916 7.463 491 H PHE 64 H PHE 64 -1.787 -5.163 3.680 492 HA PHE 64 HA PHE 64 -1.431 -2.238 3.792 493 HB2 PHE 64 2HB PHE 64 -1.301 -4.242 1.479 494 HB3 PHE 64 1HB PHE 64 -1.223 -2.502 1.249 495 HD1 PHE 64 HD1 PHE 64 0.592 -5.428 2.634 496 HD2 PHE 64 HD2 PHE 64 0.851 -1.296 1.618 497 HE1 PHE 64 HE1 PHE 64 3.022 -5.559 2.820 498 HE2 PHE 64 HE2 PHE 64 3.300 -1.427 1.822 499 HZ PHE 64 HZ PHE 64 4.408 -3.562 2.379 500 H ALA 65 H ALA 65 -3.963 -3.724 4.575 501 HA ALA 65 HA ALA 65 -5.945 -3.625 2.559 502 HB1 ALA 65 1HB ALA 65 -6.135 -5.027 4.570 503 HB2 ALA 65 2HB ALA 65 -7.555 -3.999 4.376 504 HB3 ALA 65 3HB ALA 65 -6.320 -3.584 5.571 505 H THR 66 H THR 66 -4.908 -1.231 4.896 506 HA THR 66 HA THR 66 -6.291 0.923 3.474 507 HB THR 66 HB THR 66 -7.085 1.969 5.668 508 HG1 THR 66 HG1 THR 66 -6.735 -0.656 6.714 509 HG21 THR 66 1HG2 THR 66 -9.156 0.662 5.930 510 HG22 THR 66 2HG2 THR 66 -8.444 -0.672 5.024 511 HG23 THR 66 3HG2 THR 66 -8.763 0.864 4.218 512 H VAL 67 H VAL 67 -5.548 3.113 4.610 513 HA VAL 67 HA VAL 67 -2.703 3.182 4.700 514 HB VAL 67 HB VAL 67 -4.077 5.173 4.081 515 HG11 VAL 67 1HG1 VAL 67 -5.004 6.689 5.801 516 HG12 VAL 67 2HG1 VAL 67 -4.645 5.493 7.049 517 HG13 VAL 67 3HG1 VAL 67 -5.827 5.125 5.790 518 HG21 VAL 67 1HG2 VAL 67 -2.054 5.688 6.294 519 HG22 VAL 67 2HG2 VAL 67 -2.589 6.874 5.098 520 HG23 VAL 67 3HG2 VAL 67 -1.693 5.445 4.581 521 H GLN 68 H GLN 68 -5.155 3.128 7.277 522 HA GLN 68 HA GLN 68 -3.370 3.613 9.443 523 HB2 GLN 68 2HB GLN 68 -5.255 2.936 10.895 524 HB3 GLN 68 1HB GLN 68 -5.778 4.070 9.656 525 HG2 GLN 68 2HG GLN 68 -6.730 2.212 8.348 526 HG3 GLN 68 1HG GLN 68 -6.195 1.065 9.577 527 HE21 GLN 68 1HE2 GLN 68 -8.267 0.342 10.033 528 HE22 GLN 68 2HE2 GLN 68 -9.446 1.307 10.844 529 H SER 69 H SER 69 -4.490 0.711 7.780 530 HA SER 69 HA SER 69 -3.374 -1.220 9.545 531 HB2 SER 69 2HB SER 69 -4.031 -1.456 6.577 532 HB3 SER 69 1HB SER 69 -3.698 -2.810 7.662 533 HG SER 69 HG SER 69 -5.533 -1.667 8.917 534 H MET 70 H MET 70 -2.179 0.333 6.527 535 HA MET 70 HA MET 70 0.155 -1.340 6.396 536 HB2 MET 70 2HB MET 70 0.708 -0.256 4.341 537 HB3 MET 70 1HB MET 70 -1.036 -0.438 4.355 538 HG2 MET 70 2HG MET 70 -1.287 1.940 4.932 539 HG3 MET 70 1HG MET 70 0.465 2.126 4.942 540 HE1 MET 70 1HE MET 70 -1.655 -0.048 2.355 541 HE2 MET 70 2HE MET 70 -1.972 1.170 1.118 542 HE3 MET 70 3HE MET 70 -2.693 1.333 2.721 543 H VAL 71 H VAL 71 -0.462 1.977 7.520 544 HA VAL 71 HA VAL 71 2.281 2.741 7.749 545 HB VAL 71 HB VAL 71 0.373 4.401 7.667 546 HG11 VAL 71 1HG1 VAL 71 -0.036 3.735 10.594 547 HG12 VAL 71 2HG1 VAL 71 -1.163 3.377 9.289 548 HG13 VAL 71 3HG1 VAL 71 -0.816 5.054 9.719 549 HG21 VAL 71 1HG2 VAL 71 2.657 5.122 8.261 550 HG22 VAL 71 2HG2 VAL 71 2.336 4.778 9.961 551 HG23 VAL 71 3HG2 VAL 71 1.460 6.074 9.144 552 H ALA 72 H ALA 72 -0.046 1.248 9.924 553 HA ALA 72 HA ALA 72 1.624 1.284 12.266 554 HB1 ALA 72 1HB ALA 72 -0.818 1.320 12.457 555 HB2 ALA 72 2HB ALA 72 -0.154 -0.101 13.267 556 HB3 ALA 72 3HB ALA 72 -0.921 -0.266 11.684 557 H LEU 73 H LEU 73 0.902 -0.980 9.651 558 HA LEU 73 HA LEU 73 2.148 -3.331 10.515 559 HB2 LEU 73 2HB LEU 73 0.950 -3.680 8.543 560 HB3 LEU 73 1HB LEU 73 1.314 -2.083 7.927 561 HG LEU 73 HG LEU 73 3.692 -3.006 7.470 562 HD11 LEU 73 1HD1 LEU 73 3.573 -5.054 8.734 563 HD12 LEU 73 2HD1 LEU 73 3.859 -5.418 7.035 564 HD13 LEU 73 3HD1 LEU 73 2.252 -5.656 7.726 565 HD21 LEU 73 1HD2 LEU 73 1.357 -3.925 5.773 566 HD22 LEU 73 2HD2 LEU 73 3.035 -3.792 5.242 567 HD23 LEU 73 3HD2 LEU 73 2.147 -2.348 5.723 568 H VAL 74 H VAL 74 3.343 -0.511 8.719 569 HA VAL 74 HA VAL 74 6.019 -1.173 8.398 570 HB VAL 74 HB VAL 74 4.681 1.547 8.725 571 HG11 VAL 74 1HG1 VAL 74 7.003 1.838 9.482 572 HG12 VAL 74 2HG1 VAL 74 6.771 2.628 7.924 573 HG13 VAL 74 3HG1 VAL 74 7.604 1.074 8.009 574 HG21 VAL 74 1HG2 VAL 74 4.117 0.302 6.666 575 HG22 VAL 74 2HG2 VAL 74 5.824 0.158 6.262 576 HG23 VAL 74 3HG2 VAL 74 5.053 1.745 6.277 577 H GLN 75 H GLN 75 4.473 0.570 11.124 578 HA GLN 75 HA GLN 75 6.869 1.079 12.589 579 HB2 GLN 75 2HB GLN 75 4.048 0.805 13.747 580 HB3 GLN 75 1HB GLN 75 5.402 1.675 14.465 581 HG2 GLN 75 2HG GLN 75 5.337 3.302 12.591 582 HG3 GLN 75 1HG GLN 75 3.973 2.426 11.899 583 HE21 GLN 75 1HE2 GLN 75 4.062 5.190 12.728 584 HE22 GLN 75 2HE2 GLN 75 2.847 5.385 13.940 585 H ARG 76 H ARG 76 4.817 -1.756 12.395 586 HA ARG 76 HA ARG 76 5.777 -3.135 14.725 587 HB2 ARG 76 2HB ARG 76 4.409 -4.170 12.200 588 HB3 ARG 76 1HB ARG 76 4.728 -5.160 13.625 589 HG2 ARG 76 2HG ARG 76 3.218 -3.842 14.972 590 HG3 ARG 76 1HG ARG 76 3.042 -2.641 13.692 591 HD2 ARG 76 2HD ARG 76 1.975 -4.395 12.258 592 HD3 ARG 76 1HD ARG 76 2.043 -5.507 13.632 593 HE ARG 76 HE ARG 76 0.747 -3.356 14.655 594 HH11 ARG 76 1HH1 ARG 76 0.118 -5.283 11.791 595 HH12 ARG 76 2HH1 ARG 76 -1.592 -4.998 11.837 596 HH21 ARG 76 1HH2 ARG 76 -1.485 -2.975 14.672 597 HH22 ARG 76 2HH2 ARG 76 -2.494 -3.700 13.453 598 H LEU 77 H LEU 77 6.411 -3.567 11.201 599 HA LEU 77 HA LEU 77 8.491 -5.484 11.528 600 HB2 LEU 77 2HB LEU 77 8.910 -5.157 9.067 601 HB3 LEU 77 1HB LEU 77 7.252 -5.532 9.492 602 HG LEU 77 HG LEU 77 6.850 -2.957 9.346 603 HD11 LEU 77 1HD1 LEU 77 8.237 -1.744 7.694 604 HD12 LEU 77 2HD1 LEU 77 9.419 -3.055 7.743 605 HD13 LEU 77 3HD1 LEU 77 9.079 -2.105 9.201 606 HD21 LEU 77 1HD2 LEU 77 5.830 -4.554 7.847 607 HD22 LEU 77 2HD2 LEU 77 7.266 -4.564 6.820 608 HD23 LEU 77 3HD2 LEU 77 6.295 -3.095 6.977 609 H LYS 78 H LYS 78 8.555 -2.052 11.736 610 HA LYS 78 HA LYS 78 11.238 -1.455 11.104 611 HB2 LYS 78 2HB LYS 78 9.298 -0.178 13.053 612 HB3 LYS 78 1HB LYS 78 10.891 0.491 12.752 613 HG2 LYS 78 2HG LYS 78 8.586 0.251 10.821 614 HG3 LYS 78 1HG LYS 78 9.275 1.728 11.469 615 HD2 LYS 78 2HD LYS 78 10.839 -0.172 9.693 616 HD3 LYS 78 1HD LYS 78 9.843 1.124 9.043 617 HE2 LYS 78 2HE LYS 78 12.032 1.997 9.096 618 HE3 LYS 78 1HE LYS 78 11.236 2.713 10.496 619 HZ1 LYS 78 1HZ LYS 78 13.402 2.000 11.094 620 HZ2 LYS 78 2HZ LYS 78 13.151 0.454 10.478 621 HZ3 LYS 78 3HZ LYS 78 12.309 0.963 11.851 622 H ALA 79 H ALA 79 9.720 -2.630 14.064 623 HA ALA 79 HA ALA 79 12.018 -2.539 15.743 624 HB1 ALA 79 1HB ALA 79 10.671 -3.924 17.285 625 HB2 ALA 79 2HB ALA 79 9.490 -4.213 16.002 626 HB3 ALA 79 3HB ALA 79 9.719 -2.584 16.640 627 H HIS 80 H HIS 80 11.089 -4.641 13.204 628 HA HIS 80 HA HIS 80 12.561 -6.987 14.151 629 HB2 HIS 80 2HB HIS 80 10.925 -6.484 11.619 630 HB3 HIS 80 1HB HIS 80 11.730 -8.006 11.991 631 HD1 HIS 80 HD1 HIS 80 10.000 -9.633 12.695 632 HD2 HIS 80 HD2 HIS 80 9.218 -5.842 14.188 633 HE1 HIS 80 HE1 HIS 80 7.888 -9.853 14.028 634 HE2 HIS 80 HE2 HIS 80 7.333 -7.501 14.746 635 HA PRO 81 HA PRO 81 16.262 -5.323 12.082 636 HB2 PRO 81 2HB PRO 81 17.557 -7.909 12.815 637 HB3 PRO 81 1HB PRO 81 17.943 -6.264 13.363 638 HG2 PRO 81 2HG PRO 81 16.825 -8.053 15.025 639 HG3 PRO 81 1HG PRO 81 16.429 -6.320 15.113 640 HD2 PRO 81 2HD PRO 81 14.837 -8.546 13.827 641 HD3 PRO 81 1HD PRO 81 14.281 -7.223 14.883 642 H GLU 82 H GLU 82 15.944 -8.869 11.679 643 HA GLU 82 HA GLU 82 15.551 -8.575 8.785 644 HB2 GLU 82 2HB GLU 82 17.999 -8.961 9.087 645 HB3 GLU 82 1HB GLU 82 17.663 -10.430 10.001 646 HG2 GLU 82 2HG GLU 82 16.491 -11.330 7.922 647 HG3 GLU 82 1HG GLU 82 17.100 -9.921 7.055 648 H GLN 83 H GLN 83 14.294 -10.171 7.918 649 HA GLN 83 HA GLN 83 13.487 -12.560 9.325 650 HB2 GLN 83 2HB GLN 83 10.978 -11.864 9.128 651 HB3 GLN 83 1HB GLN 83 11.909 -11.228 10.477 652 HG2 GLN 83 2HG GLN 83 12.178 -9.078 9.332 653 HG3 GLN 83 1HG GLN 83 11.323 -9.708 7.917 654 HE21 GLN 83 1HE2 GLN 83 9.930 -7.831 8.285 655 HE22 GLN 83 2HE2 GLN 83 8.647 -7.942 9.437 656 H GLY 84 H GLY 84 12.501 -14.036 7.965 657 HA2 GLY 84 2HA GLY 84 11.265 -14.059 5.642 658 HA3 GLY 84 1HA GLY 84 12.868 -13.586 5.084 659 H GLY 85 H GLY 85 14.468 -15.073 6.795 660 HA2 GLY 85 2HA GLY 85 15.334 -17.139 7.266 661 HA3 GLY 85 1HA GLY 85 13.741 -17.840 7.025 662 H ALA 86 H ALA 86 13.806 -19.394 5.479 663 HA ALA 86 HA ALA 86 15.894 -19.494 3.463 664 HB1 ALA 86 1HB ALA 86 15.141 -21.561 4.583 665 HB2 ALA 86 2HB ALA 86 14.889 -21.657 2.838 666 HB3 ALA 86 3HB ALA 86 13.524 -21.345 3.913 667 H ALA 87 H ALA 87 15.448 -17.628 2.268 668 HA ALA 87 HA ALA 87 12.955 -17.208 0.847 669 HB1 ALA 87 1HB ALA 87 14.319 -15.277 1.585 670 HB2 ALA 87 2HB ALA 87 14.126 -15.281 -0.170 671 HB3 ALA 87 3HB ALA 87 15.647 -15.813 0.552 672 H LEU 88 H LEU 88 12.512 -17.839 -1.219 673 HA LEU 88 HA LEU 88 14.050 -19.845 -2.527 674 HB2 LEU 88 2HB LEU 88 11.580 -19.709 -2.671 675 HB3 LEU 88 1HB LEU 88 11.703 -18.172 -3.510 676 HG LEU 88 HG LEU 88 12.830 -19.338 -5.430 677 HD11 LEU 88 1HD1 LEU 88 12.190 -21.905 -3.958 678 HD12 LEU 88 2HD1 LEU 88 13.795 -21.244 -4.273 679 HD13 LEU 88 3HD1 LEU 88 12.789 -21.780 -5.615 680 HD21 LEU 88 1HD2 LEU 88 10.434 -18.881 -5.538 681 HD22 LEU 88 2HD2 LEU 88 10.079 -20.427 -4.763 682 HD23 LEU 88 3HD2 LEU 88 10.825 -20.389 -6.363 683 H GLU 89 H GLU 89 15.713 -19.599 -3.946 684 HA GLU 89 HA GLU 89 16.290 -16.952 -5.098 685 HB2 GLU 89 2HB GLU 89 18.516 -17.917 -5.677 686 HB3 GLU 89 1HB GLU 89 18.171 -17.986 -3.961 687 HG2 GLU 89 2HG GLU 89 19.122 -20.060 -4.249 688 HG3 GLU 89 1HG GLU 89 17.432 -20.473 -4.517 689 H282 PNS 101 3H28 PNS 136 -1.167 -11.575 -2.686 690 H281 PNS 101 2H28 PNS 136 -1.071 -9.927 -3.295 691 H303 PNS 101 3H51 PNS 136 0.295 -10.836 -0.810 692 H302 PNS 101 2H51 PNS 136 1.868 -10.121 -1.135 693 H301 PNS 101 1H51 PNS 136 0.404 -9.212 -1.516 694 H313 PNS 101 3H52 PNS 136 2.642 -9.820 -3.532 695 H312 PNS 101 2H52 PNS 136 1.169 -8.912 -3.850 696 H311 PNS 101 1H52 PNS 136 1.583 -10.307 -4.862 697 H32 PNS 101 H32 PNS 136 2.530 -12.070 -2.416 698 H33 PNS 101 H33 PNS 136 -0.022 -13.309 -2.343 699 H36 PNS 101 H36 PNS 136 3.449 -12.096 -4.460 700 H372 PNS 101 3H37 PNS 136 3.175 -14.382 -6.040 701 H371 PNS 101 2H37 PNS 136 2.383 -13.044 -6.877 702 H382 PNS 101 3H38 PNS 136 5.268 -13.084 -5.931 703 H381 PNS 101 2H38 PNS 136 4.731 -13.296 -7.598 704 H41 PNS 101 H41 PNS 136 4.592 -11.508 -8.835 705 H422 PNS 101 3H42 PNS 136 4.769 -9.377 -9.587 706 H421 PNS 101 2H42 PNS 136 5.506 -8.957 -8.043 707 H431 PNS 101 2H43 PNS 136 2.520 -9.130 -8.588 708 H432 PNS 101 3H43 PNS 136 3.274 -8.693 -7.038 709 H44 PNS 101 H44 PNS 136 4.548 -6.409 -8.098 Start of MODEL 8 1 H1 MET 1 1H MET 1 3.646 13.965 3.055 2 H2 MET 1 2H MET 1 2.753 15.392 3.150 3 H3 MET 1 3H MET 1 4.049 15.279 2.076 4 HA MET 1 HA MET 1 1.556 13.723 1.969 5 HB2 MET 1 2HB MET 1 1.237 16.112 1.390 6 HB3 MET 1 1HB MET 1 2.519 16.000 0.190 7 HG2 MET 1 2HG MET 1 1.167 14.381 -1.096 8 HG3 MET 1 1HG MET 1 -0.128 14.518 0.099 9 HE1 MET 1 1HE MET 1 -1.817 15.140 -1.965 10 HE2 MET 1 2HE MET 1 -0.499 15.088 -3.137 11 HE3 MET 1 3HE MET 1 -1.545 16.505 -3.047 12 H LEU 2 H LEU 2 2.556 11.716 1.682 13 HA LEU 2 HA LEU 2 3.725 11.284 -1.007 14 HB2 LEU 2 2HB LEU 2 5.346 9.704 -0.240 15 HB3 LEU 2 1HB LEU 2 5.550 11.138 0.748 16 HG LEU 2 HG LEU 2 4.005 8.695 1.721 17 HD11 LEU 2 1HD1 LEU 2 6.269 7.974 1.206 18 HD12 LEU 2 2HD1 LEU 2 5.979 7.978 2.944 19 HD13 LEU 2 3HD1 LEU 2 6.930 9.270 2.206 20 HD21 LEU 2 1HD2 LEU 2 4.400 9.615 3.976 21 HD22 LEU 2 2HD2 LEU 2 3.511 10.745 2.960 22 HD23 LEU 2 3HD2 LEU 2 5.226 11.009 3.267 23 H GLU 3 H GLU 3 1.476 10.415 1.426 24 HA GLU 3 HA GLU 3 0.835 7.745 0.664 25 HB2 GLU 3 2HB GLU 3 -0.877 9.869 2.023 26 HB3 GLU 3 1HB GLU 3 -1.250 8.147 1.976 27 HG2 GLU 3 2HG GLU 3 0.590 7.607 3.405 28 HG3 GLU 3 1HG GLU 3 1.295 9.219 3.234 29 H SER 4 H SER 4 -0.252 10.939 -0.394 30 HA SER 4 HA SER 4 -2.316 10.082 -2.169 31 HB2 SER 4 2HB SER 4 -0.682 12.647 -2.256 32 HB3 SER 4 1HB SER 4 -2.243 12.371 -3.028 33 HG SER 4 HG SER 4 -2.583 11.753 -0.509 34 H LYS 5 H LYS 5 1.140 10.093 -2.400 35 HA LYS 5 HA LYS 5 1.370 10.283 -5.260 36 HB2 LYS 5 2HB LYS 5 3.195 11.060 -3.797 37 HB3 LYS 5 1HB LYS 5 3.400 9.435 -3.153 38 HG2 LYS 5 2HG LYS 5 4.092 8.654 -5.419 39 HG3 LYS 5 1HG LYS 5 3.939 10.307 -6.016 40 HD2 LYS 5 2HD LYS 5 5.845 9.410 -3.819 41 HD3 LYS 5 1HD LYS 5 6.292 9.662 -5.506 42 HE2 LYS 5 2HE LYS 5 5.214 11.811 -3.647 43 HE3 LYS 5 1HE LYS 5 6.911 11.587 -4.072 44 HZ1 LYS 5 1HZ LYS 5 4.700 12.307 -5.904 45 HZ2 LYS 5 2HZ LYS 5 6.269 11.954 -6.411 46 HZ3 LYS 5 3HZ LYS 5 5.982 13.294 -5.423 47 H LEU 6 H LEU 6 1.472 7.582 -2.861 48 HA LEU 6 HA LEU 6 2.051 5.541 -4.756 49 HB2 LEU 6 2HB LEU 6 1.398 3.901 -3.025 50 HB3 LEU 6 1HB LEU 6 2.513 5.112 -2.439 51 HG LEU 6 HG LEU 6 0.285 6.270 -1.534 52 HD11 LEU 6 1HD1 LEU 6 -1.391 4.678 -0.711 53 HD12 LEU 6 2HD1 LEU 6 -0.594 3.367 -1.586 54 HD13 LEU 6 3HD1 LEU 6 -1.325 4.707 -2.472 55 HD21 LEU 6 1HD2 LEU 6 0.645 5.218 0.649 56 HD22 LEU 6 2HD2 LEU 6 2.173 5.607 -0.137 57 HD23 LEU 6 3HD2 LEU 6 1.599 3.937 -0.111 58 H ILE 7 H ILE 7 -0.930 7.025 -3.640 59 HA ILE 7 HA ILE 7 -2.832 5.354 -4.922 60 HB ILE 7 HB ILE 7 -2.966 8.346 -4.352 61 HG12 ILE 7 2HG1 ILE 7 -4.200 6.115 -2.677 62 HG13 ILE 7 1HG1 ILE 7 -2.608 6.790 -2.341 63 HG21 ILE 7 1HG2 ILE 7 -5.277 6.448 -4.942 64 HG22 ILE 7 2HG2 ILE 7 -4.640 7.655 -6.060 65 HG23 ILE 7 3HG2 ILE 7 -5.415 8.166 -4.556 66 HD11 ILE 7 1HD1 ILE 7 -3.631 9.004 -2.013 67 HD12 ILE 7 2HD1 ILE 7 -4.273 7.783 -0.916 68 HD13 ILE 7 3HD1 ILE 7 -5.223 8.293 -2.308 69 H ASN 8 H ASN 8 -1.498 8.511 -5.920 70 HA ASN 8 HA ASN 8 -2.695 8.716 -8.439 71 HB2 ASN 8 2HB ASN 8 -1.674 10.608 -7.192 72 HB3 ASN 8 1HB ASN 8 -0.072 9.939 -7.472 73 HD21 ASN 8 1HD2 ASN 8 0.874 11.400 -8.779 74 HD22 ASN 8 2HD2 ASN 8 0.224 11.960 -10.283 75 H HIS 9 H HIS 9 0.212 7.083 -7.427 76 HA HIS 9 HA HIS 9 1.588 6.751 -9.832 77 HB2 HIS 9 2HB HIS 9 2.510 6.280 -7.565 78 HB3 HIS 9 1HB HIS 9 1.475 4.864 -7.442 79 HD1 HIS 9 HD1 HIS 9 4.801 5.886 -8.454 80 HD2 HIS 9 HD2 HIS 9 2.221 2.800 -9.494 81 HE1 HIS 9 HE1 HIS 9 6.250 4.109 -9.480 82 HE2 HIS 9 HE2 HIS 9 4.695 2.153 -9.817 83 H ILE 10 H ILE 10 -0.563 4.326 -8.220 84 HA ILE 10 HA ILE 10 -0.724 2.766 -10.679 85 HB ILE 10 HB ILE 10 -2.111 1.178 -9.419 86 HG12 ILE 10 2HG1 ILE 10 -1.580 2.647 -6.825 87 HG13 ILE 10 1HG1 ILE 10 -2.992 3.072 -7.772 88 HG21 ILE 10 1HG2 ILE 10 0.517 1.865 -8.052 89 HG22 ILE 10 2HG2 ILE 10 0.302 0.855 -9.482 90 HG23 ILE 10 3HG2 ILE 10 -0.329 0.318 -7.927 91 HD11 ILE 10 1HD1 ILE 10 -3.485 1.498 -6.022 92 HD12 ILE 10 2HD1 ILE 10 -2.338 0.348 -6.710 93 HD13 ILE 10 3HD1 ILE 10 -3.776 0.819 -7.620 94 H ALA 11 H ALA 11 -2.707 5.167 -9.082 95 HA ALA 11 HA ALA 11 -5.263 4.707 -9.943 96 HB1 ALA 11 1HB ALA 11 -5.604 7.134 -9.960 97 HB2 ALA 11 2HB ALA 11 -3.858 7.399 -10.013 98 HB3 ALA 11 3HB ALA 11 -4.596 6.659 -8.590 99 H THR 12 H THR 12 -2.505 5.599 -11.921 100 HA THR 12 HA THR 12 -3.785 6.455 -14.272 101 HB THR 12 HB THR 12 -1.126 4.991 -14.115 102 HG1 THR 12 HG1 THR 12 -0.210 6.913 -13.513 103 HG21 THR 12 1HG2 THR 12 -2.099 7.152 -16.023 104 HG22 THR 12 2HG2 THR 12 -1.912 5.443 -16.421 105 HG23 THR 12 3HG2 THR 12 -0.494 6.416 -16.025 106 H GLN 13 H GLN 13 -2.791 3.189 -13.185 107 HA GLN 13 HA GLN 13 -3.648 1.961 -15.736 108 HB2 GLN 13 2HB GLN 13 -2.576 -0.118 -14.841 109 HB3 GLN 13 1HB GLN 13 -1.459 1.240 -14.927 110 HG2 GLN 13 2HG GLN 13 -1.678 1.600 -12.502 111 HG3 GLN 13 1HG GLN 13 -2.849 0.292 -12.401 112 HE21 GLN 13 1HE2 GLN 13 0.531 1.090 -12.864 113 HE22 GLN 13 2HE2 GLN 13 1.145 -0.497 -12.559 114 H PHE 14 H PHE 14 -4.611 2.276 -12.436 115 HA PHE 14 HA PHE 14 -6.410 -0.010 -12.466 116 HB2 PHE 14 2HB PHE 14 -5.092 1.650 -10.348 117 HB3 PHE 14 1HB PHE 14 -6.687 1.019 -9.936 118 HD1 PHE 14 HD1 PHE 14 -5.393 -0.182 -8.066 119 HD2 PHE 14 HD2 PHE 14 -4.766 -1.090 -12.210 120 HE1 PHE 14 HE1 PHE 14 -4.425 -2.351 -7.473 121 HE2 PHE 14 HE2 PHE 14 -3.791 -3.237 -11.588 122 HZ PHE 14 HZ PHE 14 -3.616 -3.881 -9.223 123 H LEU 15 H LEU 15 -6.557 3.483 -12.570 124 HA LEU 15 HA LEU 15 -9.530 3.416 -12.319 125 HB2 LEU 15 2HB LEU 15 -7.717 5.606 -11.253 126 HB3 LEU 15 1HB LEU 15 -9.452 5.457 -11.021 127 HG LEU 15 HG LEU 15 -7.311 3.670 -9.779 128 HD11 LEU 15 1HD1 LEU 15 -7.925 4.701 -7.683 129 HD12 LEU 15 2HD1 LEU 15 -9.118 5.727 -8.473 130 HD13 LEU 15 3HD1 LEU 15 -7.402 5.924 -8.829 131 HD21 LEU 15 1HD2 LEU 15 -9.147 2.652 -8.484 132 HD22 LEU 15 2HD2 LEU 15 -9.335 2.350 -10.203 133 HD23 LEU 15 3HD2 LEU 15 -10.343 3.566 -9.410 134 H ASP 16 H ASP 16 -7.256 3.858 -14.570 135 HA ASP 16 HA ASP 16 -7.095 4.922 -16.579 136 HB2 ASP 16 2HB ASP 16 -9.632 4.518 -16.643 137 HB3 ASP 16 1HB ASP 16 -9.849 6.121 -15.988 138 H GLY 17 H GLY 17 -6.274 6.180 -14.012 139 HA2 GLY 17 2HA GLY 17 -4.959 8.064 -13.612 140 HA3 GLY 17 1HA GLY 17 -5.739 8.912 -14.935 141 H GLU 18 H GLU 18 -8.277 7.654 -13.304 142 HA GLU 18 HA GLU 18 -8.911 10.224 -12.089 143 HB2 GLU 18 2HB GLU 18 -11.124 9.601 -12.280 144 HB3 GLU 18 1HB GLU 18 -10.482 8.400 -13.402 145 HG2 GLU 18 2HG GLU 18 -10.464 6.737 -11.535 146 HG3 GLU 18 1HG GLU 18 -11.205 7.940 -10.484 147 H LYS 19 H LYS 19 -9.270 10.575 -9.836 148 HA LYS 19 HA LYS 19 -8.335 8.432 -8.001 149 HB2 LYS 19 2HB LYS 19 -8.610 11.410 -7.480 150 HB3 LYS 19 1HB LYS 19 -8.053 10.199 -6.322 151 HG2 LYS 19 2HG LYS 19 -6.218 9.664 -8.102 152 HG3 LYS 19 1HG LYS 19 -6.655 11.229 -8.795 153 HD2 LYS 19 2HD LYS 19 -5.719 10.724 -5.954 154 HD3 LYS 19 1HD LYS 19 -4.758 11.446 -7.248 155 HE2 LYS 19 2HE LYS 19 -6.417 13.336 -7.347 156 HE3 LYS 19 1HE LYS 19 -7.250 12.630 -5.964 157 HZ1 LYS 19 1HZ LYS 19 -5.762 14.404 -5.340 158 HZ2 LYS 19 2HZ LYS 19 -4.445 13.566 -5.983 159 HZ3 LYS 19 3HZ LYS 19 -5.276 12.941 -4.656 160 H ASP 20 H ASP 20 -10.088 7.228 -7.582 161 HA ASP 20 HA ASP 20 -12.087 8.196 -5.809 162 HB2 ASP 20 2HB ASP 20 -13.019 9.061 -8.009 163 HB3 ASP 20 1HB ASP 20 -13.129 7.399 -8.581 164 H GLY 21 H GLY 21 -12.674 6.504 -4.547 165 HA2 GLY 21 2HA GLY 21 -13.166 4.304 -3.923 166 HA3 GLY 21 1HA GLY 21 -12.640 3.729 -5.496 167 H LEU 22 H LEU 22 -10.135 5.350 -5.214 168 HA LEU 22 HA LEU 22 -8.594 3.597 -3.395 169 HB2 LEU 22 2HB LEU 22 -8.187 3.326 -5.864 170 HB3 LEU 22 1HB LEU 22 -7.731 5.013 -5.941 171 HG LEU 22 HG LEU 22 -5.824 4.475 -4.334 172 HD11 LEU 22 1HD1 LEU 22 -6.567 1.601 -4.973 173 HD12 LEU 22 2HD1 LEU 22 -6.685 2.386 -3.395 174 HD13 LEU 22 3HD1 LEU 22 -5.105 2.130 -4.133 175 HD21 LEU 22 1HD2 LEU 22 -5.791 3.104 -7.044 176 HD22 LEU 22 2HD2 LEU 22 -4.377 3.584 -6.101 177 HD23 LEU 22 3HD2 LEU 22 -5.465 4.814 -6.739 178 H ASP 23 H ASP 23 -8.290 4.828 -1.609 179 HA ASP 23 HA ASP 23 -6.574 7.131 -1.818 180 HB2 ASP 23 2HB ASP 23 -8.956 8.090 -1.934 181 HB3 ASP 23 1HB ASP 23 -9.206 7.489 -0.301 182 H SER 24 H SER 24 -5.726 7.769 0.299 183 HA SER 24 HA SER 24 -4.815 5.662 1.861 184 HB2 SER 24 2HB SER 24 -4.066 7.520 3.421 185 HB3 SER 24 1HB SER 24 -3.612 7.769 1.738 186 HG SER 24 HG SER 24 -5.996 8.895 2.089 187 H GLN 25 H GLN 25 -7.518 7.867 2.361 188 HA GLN 25 HA GLN 25 -8.251 6.781 4.957 189 HB2 GLN 25 2HB GLN 25 -9.544 8.984 3.316 190 HB3 GLN 25 1HB GLN 25 -9.934 8.571 4.984 191 HG2 GLN 25 2HG GLN 25 -7.348 9.753 3.936 192 HG3 GLN 25 1HG GLN 25 -8.504 10.485 5.042 193 HE21 GLN 25 1HE2 GLN 25 -8.567 9.760 7.233 194 HE22 GLN 25 2HE2 GLN 25 -7.250 8.884 7.927 195 H THR 26 H THR 26 -9.029 6.166 1.704 196 HA THR 26 HA THR 26 -11.751 5.242 2.118 197 HB THR 26 HB THR 26 -9.938 5.132 -0.337 198 HG1 THR 26 HG1 THR 26 -11.053 7.188 0.823 199 HG21 THR 26 1HG2 THR 26 -12.939 4.724 -0.097 200 HG22 THR 26 2HG2 THR 26 -11.751 3.492 -0.529 201 HG23 THR 26 3HG2 THR 26 -12.038 4.855 -1.613 202 HA PRO 27 HA PRO 27 -10.520 0.961 3.059 203 HB2 PRO 27 2HB PRO 27 -12.902 -0.291 2.618 204 HB3 PRO 27 1HB PRO 27 -12.648 0.773 4.027 205 HG2 PRO 27 2HG PRO 27 -13.939 1.440 1.386 206 HG3 PRO 27 1HG PRO 27 -14.550 1.756 3.022 207 HD2 PRO 27 2HD PRO 27 -13.302 3.676 1.621 208 HD3 PRO 27 1HD PRO 27 -13.054 3.543 3.373 209 H LEU 28 H LEU 28 -9.108 0.274 1.520 210 HA LEU 28 HA LEU 28 -9.704 0.137 -1.279 211 HB2 LEU 28 2HB LEU 28 -7.362 -1.148 0.179 212 HB3 LEU 28 1HB LEU 28 -7.445 -0.718 -1.525 213 HG LEU 28 HG LEU 28 -7.270 1.190 0.841 214 HD11 LEU 28 1HD1 LEU 28 -5.323 0.728 -1.434 215 HD12 LEU 28 2HD1 LEU 28 -5.137 0.186 0.237 216 HD13 LEU 28 3HD1 LEU 28 -5.149 1.909 -0.130 217 HD21 LEU 28 1HD2 LEU 28 -7.674 1.926 -2.083 218 HD22 LEU 28 2HD2 LEU 28 -7.275 3.059 -0.788 219 HD23 LEU 28 3HD2 LEU 28 -8.807 2.195 -0.755 220 H PHE 29 H PHE 29 -10.060 -2.096 1.368 221 HA PHE 29 HA PHE 29 -10.345 -4.424 -0.364 222 HB2 PHE 29 2HB PHE 29 -9.783 -4.041 2.484 223 HB3 PHE 29 1HB PHE 29 -11.062 -5.230 2.271 224 HD1 PHE 29 HD1 PHE 29 -7.879 -4.344 0.508 225 HD2 PHE 29 HD2 PHE 29 -10.259 -7.444 2.243 226 HE1 PHE 29 HE1 PHE 29 -6.214 -5.987 -0.138 227 HE2 PHE 29 HE2 PHE 29 -8.567 -9.101 1.581 228 HZ PHE 29 HZ PHE 29 -6.545 -8.376 0.381 229 H GLU 30 H GLU 30 -12.485 -2.339 1.570 230 HA GLU 30 HA GLU 30 -14.825 -3.959 1.265 231 HB2 GLU 30 2HB GLU 30 -14.626 -0.956 1.762 232 HB3 GLU 30 1HB GLU 30 -16.101 -1.907 1.910 233 HG2 GLU 30 2HG GLU 30 -13.601 -2.204 3.612 234 HG3 GLU 30 1HG GLU 30 -15.115 -1.448 4.109 235 H LEU 31 H LEU 31 -13.337 -1.449 -0.668 236 HA LEU 31 HA LEU 31 -15.437 -1.557 -2.717 237 HB2 LEU 31 2HB LEU 31 -12.931 0.147 -2.642 238 HB3 LEU 31 1HB LEU 31 -14.309 0.339 -3.721 239 HG LEU 31 HG LEU 31 -14.203 0.896 -0.734 240 HD11 LEU 31 1HD1 LEU 31 -14.680 3.189 -1.348 241 HD12 LEU 31 2HD1 LEU 31 -14.764 2.751 -3.059 242 HD13 LEU 31 3HD1 LEU 31 -13.235 2.620 -2.186 243 HD21 LEU 31 1HD2 LEU 31 -16.364 -0.152 -1.200 244 HD22 LEU 31 2HD2 LEU 31 -16.658 0.970 -2.532 245 HD23 LEU 31 3HD2 LEU 31 -16.576 1.567 -0.871 246 H ASN 32 H ASN 32 -12.370 -2.945 -2.020 247 HA ASN 32 HA ASN 32 -11.062 -4.493 -3.049 248 HB2 ASN 32 2HB ASN 32 -13.549 -4.838 -4.775 249 HB3 ASN 32 1HB ASN 32 -12.161 -5.921 -4.868 250 HD21 ASN 32 1HD2 ASN 32 -14.788 -4.796 -2.849 251 HD22 ASN 32 2HD2 ASN 32 -14.774 -6.135 -1.755 252 H ILE 33 H ILE 33 -10.676 -1.807 -3.834 253 HA ILE 33 HA ILE 33 -10.585 -1.526 -6.690 254 HB ILE 33 HB ILE 33 -9.376 0.208 -4.505 255 HG12 ILE 33 2HG1 ILE 33 -11.793 0.063 -4.240 256 HG13 ILE 33 1HG1 ILE 33 -11.421 1.640 -4.914 257 HG21 ILE 33 1HG2 ILE 33 -9.826 0.844 -7.445 258 HG22 ILE 33 2HG2 ILE 33 -8.266 0.676 -6.633 259 HG23 ILE 33 3HG2 ILE 33 -9.337 2.015 -6.218 260 HD11 ILE 33 1HD1 ILE 33 -13.383 0.728 -5.944 261 HD12 ILE 33 2HD1 ILE 33 -12.516 -0.735 -6.410 262 HD13 ILE 33 3HD1 ILE 33 -12.087 0.818 -7.135 263 H VAL 34 H VAL 34 -8.027 -1.781 -4.194 264 HA VAL 34 HA VAL 34 -5.971 -1.952 -6.253 265 HB VAL 34 HB VAL 34 -5.560 -0.672 -4.133 266 HG11 VAL 34 1HG1 VAL 34 -5.349 -3.393 -2.777 267 HG12 VAL 34 2HG1 VAL 34 -6.640 -2.215 -2.511 268 HG13 VAL 34 3HG1 VAL 34 -4.984 -1.831 -2.032 269 HG21 VAL 34 1HG2 VAL 34 -3.204 -1.395 -3.814 270 HG22 VAL 34 2HG2 VAL 34 -3.650 -1.369 -5.522 271 HG23 VAL 34 3HG2 VAL 34 -3.556 -2.906 -4.661 272 H ASP 35 H ASP 35 -4.851 -3.779 -6.811 273 HA ASP 35 HA ASP 35 -5.892 -6.385 -5.936 274 HB2 ASP 35 2HB ASP 35 -6.066 -5.875 -8.357 275 HB3 ASP 35 1HB ASP 35 -4.336 -5.600 -8.446 276 H SER 36 H SER 36 -4.304 -8.088 -5.953 277 HA SER 36 HA SER 36 -2.314 -7.790 -4.002 278 HB2 SER 36 2HB SER 36 -3.732 -9.864 -5.042 279 HB3 SER 36 1HB SER 36 -2.243 -10.126 -5.933 280 H ALA 37 H ALA 37 -2.187 -7.739 -7.538 281 HA ALA 37 HA ALA 37 0.582 -7.945 -8.011 282 HB1 ALA 37 1HB ALA 37 0.108 -6.959 -10.222 283 HB2 ALA 37 2HB ALA 37 -1.491 -6.449 -9.668 284 HB3 ALA 37 3HB ALA 37 -1.104 -8.166 -9.796 285 H ALA 38 H ALA 38 -1.439 -5.096 -7.308 286 HA ALA 38 HA ALA 38 0.620 -3.152 -7.871 287 HB1 ALA 38 1HB ALA 38 -0.992 -1.489 -7.007 288 HB2 ALA 38 2HB ALA 38 -2.037 -2.795 -6.443 289 HB3 ALA 38 3HB ALA 38 -1.758 -2.574 -8.170 290 H ILE 39 H ILE 39 -0.169 -5.118 -5.166 291 HA ILE 39 HA ILE 39 0.645 -3.448 -3.023 292 HB ILE 39 HB ILE 39 0.636 -6.491 -3.178 293 HG12 ILE 39 2HG1 ILE 39 -1.572 -5.615 -3.678 294 HG13 ILE 39 1HG1 ILE 39 -1.603 -6.288 -2.058 295 HG21 ILE 39 1HG2 ILE 39 0.694 -4.724 -0.693 296 HG22 ILE 39 2HG2 ILE 39 2.011 -5.752 -1.269 297 HG23 ILE 39 3HG2 ILE 39 0.504 -6.479 -0.699 298 HD11 ILE 39 1HD1 ILE 39 -2.872 -4.249 -2.157 299 HD12 ILE 39 2HD1 ILE 39 -1.483 -3.363 -2.783 300 HD13 ILE 39 3HD1 ILE 39 -1.454 -4.007 -1.139 301 H PHE 40 H PHE 40 2.397 -5.704 -5.110 302 HA PHE 40 HA PHE 40 4.905 -5.705 -3.814 303 HB2 PHE 40 2HB PHE 40 4.286 -7.364 -5.525 304 HB3 PHE 40 1HB PHE 40 4.197 -6.112 -6.755 305 HD1 PHE 40 HD1 PHE 40 6.608 -7.682 -4.337 306 HD2 PHE 40 HD2 PHE 40 6.121 -5.706 -8.109 307 HE1 PHE 40 HE1 PHE 40 8.980 -8.064 -4.852 308 HE2 PHE 40 HE2 PHE 40 8.496 -6.099 -8.612 309 HZ PHE 40 HZ PHE 40 9.928 -7.278 -6.986 310 H ASP 41 H ASP 41 3.397 -3.405 -5.985 311 HA ASP 41 HA ASP 41 5.727 -1.796 -6.517 312 HB2 ASP 41 2HB ASP 41 3.812 -1.893 -8.082 313 HB3 ASP 41 1HB ASP 41 2.752 -1.212 -6.858 314 H LEU 42 H LEU 42 2.787 -1.341 -4.573 315 HA LEU 42 HA LEU 42 3.334 1.107 -3.388 316 HB2 LEU 42 2HB LEU 42 1.518 -1.195 -2.712 317 HB3 LEU 42 1HB LEU 42 1.749 0.026 -1.475 318 HG LEU 42 HG LEU 42 0.897 1.782 -3.018 319 HD11 LEU 42 1HD1 LEU 42 -0.177 1.260 -5.145 320 HD12 LEU 42 2HD1 LEU 42 0.304 -0.431 -4.997 321 HD13 LEU 42 3HD1 LEU 42 1.533 0.820 -5.182 322 HD21 LEU 42 1HD2 LEU 42 -1.024 -0.546 -2.647 323 HD22 LEU 42 2HD2 LEU 42 -1.486 1.123 -2.990 324 HD23 LEU 42 3HD2 LEU 42 -0.674 0.731 -1.477 325 H VAL 43 H VAL 43 4.208 -2.129 -2.286 326 HA VAL 43 HA VAL 43 5.093 -1.348 0.316 327 HB VAL 43 HB VAL 43 4.320 -3.668 -0.275 328 HG11 VAL 43 1HG1 VAL 43 7.027 -3.974 -1.625 329 HG12 VAL 43 2HG1 VAL 43 5.458 -3.953 -2.434 330 HG13 VAL 43 3HG1 VAL 43 5.861 -5.269 -1.331 331 HG21 VAL 43 1HG2 VAL 43 5.526 -3.235 1.820 332 HG22 VAL 43 2HG2 VAL 43 7.068 -3.506 1.005 333 HG23 VAL 43 3HG2 VAL 43 5.925 -4.836 1.193 334 H ASP 44 H ASP 44 6.680 -1.708 -2.835 335 HA ASP 44 HA ASP 44 9.370 -1.628 -1.865 336 HB2 ASP 44 2HB ASP 44 8.527 -2.378 -4.224 337 HB3 ASP 44 1HB ASP 44 8.570 -0.684 -4.641 338 H PHE 45 H PHE 45 7.016 0.693 -2.962 339 HA PHE 45 HA PHE 45 8.565 3.008 -2.876 340 HB2 PHE 45 2HB PHE 45 6.450 2.968 -4.046 341 HB3 PHE 45 1HB PHE 45 5.582 2.522 -2.585 342 HD1 PHE 45 HD1 PHE 45 7.793 5.310 -3.833 343 HD2 PHE 45 HD2 PHE 45 4.358 4.222 -1.524 344 HE1 PHE 45 HE1 PHE 45 7.299 7.678 -3.428 345 HE2 PHE 45 HE2 PHE 45 3.870 6.597 -1.146 346 HZ PHE 45 HZ PHE 45 5.350 8.330 -2.073 347 H LEU 46 H LEU 46 6.505 1.441 -0.417 348 HA LEU 46 HA LEU 46 6.819 3.405 1.614 349 HB2 LEU 46 2HB LEU 46 5.990 0.492 1.852 350 HB3 LEU 46 1HB LEU 46 5.933 1.637 3.184 351 HG LEU 46 HG LEU 46 4.234 1.668 0.664 352 HD11 LEU 46 1HD1 LEU 46 3.450 1.375 3.578 353 HD12 LEU 46 2HD1 LEU 46 3.479 0.091 2.367 354 HD13 LEU 46 3HD1 LEU 46 2.344 1.428 2.202 355 HD21 LEU 46 1HD2 LEU 46 4.373 3.803 2.823 356 HD22 LEU 46 2HD2 LEU 46 3.154 3.723 1.549 357 HD23 LEU 46 3HD2 LEU 46 4.845 3.982 1.130 358 H ARG 47 H ARG 47 8.523 0.294 1.084 359 HA ARG 47 HA ARG 47 10.028 0.385 3.501 360 HB2 ARG 47 2HB ARG 47 11.396 -1.441 2.549 361 HB3 ARG 47 1HB ARG 47 9.682 -1.744 2.274 362 HG2 ARG 47 2HG ARG 47 9.887 -1.034 -0.043 363 HG3 ARG 47 1HG ARG 47 11.571 -0.595 0.197 364 HD2 ARG 47 2HD ARG 47 10.632 -3.424 0.667 365 HD3 ARG 47 1HD ARG 47 10.978 -2.850 -0.964 366 HE ARG 47 HE ARG 47 12.999 -2.744 1.207 367 HH11 ARG 47 1HH1 ARG 47 12.135 -3.560 -2.103 368 HH12 ARG 47 2HH1 ARG 47 13.739 -4.053 -2.526 369 HH21 ARG 47 1HH2 ARG 47 15.115 -3.410 0.619 370 HH22 ARG 47 2HH2 ARG 47 15.421 -3.968 -0.994 371 H GLN 48 H GLN 48 10.485 1.785 0.337 372 HA GLN 48 HA GLN 48 13.231 2.465 0.470 373 HB2 GLN 48 2HB GLN 48 11.926 2.496 -1.645 374 HB3 GLN 48 1HB GLN 48 10.940 3.821 -1.033 375 HG2 GLN 48 2HG GLN 48 13.049 5.219 -0.907 376 HG3 GLN 48 1HG GLN 48 13.898 3.901 -1.709 377 HE21 GLN 48 1HE2 GLN 48 10.602 4.932 -2.487 378 HE22 GLN 48 2HE2 GLN 48 10.986 5.542 -4.054 379 H GLU 49 H GLU 49 10.260 4.324 1.117 380 HA GLU 49 HA GLU 49 11.474 6.705 2.060 381 HB2 GLU 49 2HB GLU 49 8.665 5.642 2.592 382 HB3 GLU 49 1HB GLU 49 9.186 7.312 2.795 383 HG2 GLU 49 2HG GLU 49 8.967 5.775 0.189 384 HG3 GLU 49 1HG GLU 49 7.921 7.086 0.724 385 H SER 50 H SER 50 10.233 3.856 3.652 386 HA SER 50 HA SER 50 10.664 4.780 6.354 387 HB2 SER 50 2HB SER 50 9.926 2.015 5.333 388 HB3 SER 50 1HB SER 50 9.858 2.543 7.015 389 HG SER 50 HG SER 50 8.369 3.661 4.869 390 H LYS 51 H LYS 51 12.791 3.648 4.028 391 HA LYS 51 HA LYS 51 14.981 3.085 4.042 392 HB2 LYS 51 2HB LYS 51 14.983 3.922 6.970 393 HB3 LYS 51 1HB LYS 51 16.373 3.895 5.892 394 HG2 LYS 51 2HG LYS 51 13.978 5.758 5.699 395 HG3 LYS 51 1HG LYS 51 15.588 6.188 6.280 396 HD2 LYS 51 2HD LYS 51 16.534 5.807 4.048 397 HD3 LYS 51 1HD LYS 51 14.966 5.249 3.448 398 HE2 LYS 51 2HE LYS 51 15.390 7.565 2.757 399 HE3 LYS 51 1HE LYS 51 14.017 7.497 3.864 400 HZ1 LYS 51 1HZ LYS 51 15.482 8.204 5.655 401 HZ2 LYS 51 2HZ LYS 51 15.512 9.324 4.389 402 HZ3 LYS 51 3HZ LYS 51 16.796 8.249 4.598 403 H VAL 52 H VAL 52 13.042 1.019 4.727 404 HA VAL 52 HA VAL 52 14.664 -0.882 6.303 405 HB VAL 52 HB VAL 52 12.468 -1.983 6.900 406 HG11 VAL 52 1HG1 VAL 52 13.641 -0.599 8.547 407 HG12 VAL 52 2HG1 VAL 52 11.895 -0.442 8.732 408 HG13 VAL 52 3HG1 VAL 52 12.815 0.843 7.946 409 HG21 VAL 52 1HG2 VAL 52 10.364 -0.668 6.721 410 HG22 VAL 52 2HG2 VAL 52 11.025 -1.076 5.137 411 HG23 VAL 52 3HG2 VAL 52 11.224 0.555 5.781 412 H SER 53 H SER 53 14.484 -3.074 5.701 413 HA SER 53 HA SER 53 13.331 -3.721 3.049 414 HB2 SER 53 2HB SER 53 15.214 -5.363 4.813 415 HB3 SER 53 1HB SER 53 14.662 -5.794 3.192 416 HG SER 53 HG SER 53 15.848 -3.303 3.433 417 H ILE 54 H ILE 54 11.812 -5.437 2.906 418 HA ILE 54 HA ILE 54 10.549 -6.341 5.427 419 HB ILE 54 HB ILE 54 9.161 -4.527 4.589 420 HG12 ILE 54 2HG1 ILE 54 7.839 -7.204 3.934 421 HG13 ILE 54 1HG1 ILE 54 7.961 -6.501 5.540 422 HG21 ILE 54 1HG2 ILE 54 8.166 -4.484 2.341 423 HG22 ILE 54 2HG2 ILE 54 9.023 -5.964 1.915 424 HG23 ILE 54 3HG2 ILE 54 9.929 -4.486 2.247 425 HD11 ILE 54 1HD1 ILE 54 5.749 -6.249 4.638 426 HD12 ILE 54 2HD1 ILE 54 6.381 -5.412 3.223 427 HD13 ILE 54 3HD1 ILE 54 6.503 -4.663 4.819 428 H GLY 55 H GLY 55 9.758 -8.431 5.419 429 HA2 GLY 55 2HA GLY 55 10.698 -10.284 3.434 430 HA3 GLY 55 1HA GLY 55 9.694 -10.656 4.827 431 H MET 56 H MET 56 9.495 -11.462 1.929 432 HA MET 56 HA MET 56 7.324 -10.171 0.644 433 HB2 MET 56 2HB MET 56 8.291 -13.041 0.310 434 HB3 MET 56 1HB MET 56 7.226 -12.192 -0.806 435 HG2 MET 56 2HG MET 56 10.121 -11.521 -0.209 436 HG3 MET 56 1HG MET 56 9.496 -12.241 -1.688 437 HE1 MET 56 1HE MET 56 6.866 -10.460 -2.276 438 HE2 MET 56 2HE MET 56 8.054 -10.850 -3.515 439 HE3 MET 56 3HE MET 56 7.546 -9.181 -3.276 440 H GLN 57 H GLN 57 7.472 -12.561 3.143 441 HA GLN 57 HA GLN 57 4.892 -13.658 3.163 442 HB2 GLN 57 2HB GLN 57 6.722 -12.984 5.510 443 HB3 GLN 57 1HB GLN 57 5.364 -14.105 5.574 444 HG2 GLN 57 2HG GLN 57 6.484 -15.694 4.167 445 HG3 GLN 57 1HG GLN 57 7.730 -14.528 3.726 446 HE21 GLN 57 1HE2 GLN 57 6.549 -16.637 6.257 447 HE22 GLN 57 2HE2 GLN 57 7.998 -16.643 7.199 448 H GLU 58 H GLU 58 6.173 -10.643 4.533 449 HA GLU 58 HA GLU 58 3.687 -9.921 5.879 450 HB2 GLU 58 2HB GLU 58 6.366 -8.479 5.679 451 HB3 GLU 58 1HB GLU 58 5.008 -7.945 6.669 452 HG2 GLU 58 2HG GLU 58 6.619 -10.496 7.019 453 HG3 GLU 58 1HG GLU 58 6.633 -9.080 8.070 454 H ILE 59 H ILE 59 5.151 -9.383 2.810 455 HA ILE 59 HA ILE 59 3.647 -7.008 2.135 456 HB ILE 59 HB ILE 59 4.914 -9.044 0.253 457 HG12 ILE 59 2HG1 ILE 59 6.098 -6.482 1.420 458 HG13 ILE 59 1HG1 ILE 59 6.631 -8.122 1.772 459 HG21 ILE 59 1HG2 ILE 59 4.841 -7.205 -1.416 460 HG22 ILE 59 2HG2 ILE 59 4.018 -6.175 -0.241 461 HG23 ILE 59 3HG2 ILE 59 3.223 -7.630 -0.846 462 HD11 ILE 59 1HD1 ILE 59 8.134 -6.983 0.257 463 HD12 ILE 59 2HD1 ILE 59 6.818 -6.735 -0.894 464 HD13 ILE 59 3HD1 ILE 59 7.382 -8.370 -0.531 465 H HIS 60 H HIS 60 1.466 -7.320 2.412 466 HA HIS 60 HA HIS 60 0.109 -9.278 0.704 467 HB2 HIS 60 2HB HIS 60 0.140 -9.399 3.680 468 HB3 HIS 60 1HB HIS 60 -1.480 -9.451 2.996 469 HD1 HIS 60 HD1 HIS 60 1.827 -11.259 2.273 470 HD2 HIS 60 HD2 HIS 60 -2.268 -11.942 2.491 471 HE1 HIS 60 HE1 HIS 60 1.540 -13.690 1.759 472 HE2 HIS 60 HE2 HIS 60 -0.954 -14.020 1.658 473 HA PRO 61 HA PRO 61 -2.670 -5.777 0.053 474 HB2 PRO 61 2HB PRO 61 -4.926 -7.274 -0.733 475 HB3 PRO 61 1HB PRO 61 -3.619 -6.765 -1.819 476 HG2 PRO 61 2HG PRO 61 -4.056 -9.406 -0.504 477 HG3 PRO 61 1HG PRO 61 -3.450 -9.040 -2.132 478 HD2 PRO 61 2HD PRO 61 -1.788 -9.785 -0.128 479 HD3 PRO 61 1HD PRO 61 -1.281 -8.627 -1.378 480 H ALA 62 H ALA 62 -3.420 -8.579 2.051 481 HA ALA 62 HA ALA 62 -5.579 -7.770 3.574 482 HB1 ALA 62 1HB ALA 62 -3.148 -9.320 4.522 483 HB2 ALA 62 2HB ALA 62 -4.580 -10.009 3.759 484 HB3 ALA 62 3HB ALA 62 -4.712 -9.259 5.349 485 H ASN 63 H ASN 63 -2.179 -6.922 3.897 486 HA ASN 63 HA ASN 63 -2.541 -5.317 6.300 487 HB2 ASN 63 2HB ASN 63 -0.055 -5.783 4.595 488 HB3 ASN 63 1HB ASN 63 -0.090 -5.058 6.203 489 HD21 ASN 63 1HD2 ASN 63 1.290 -7.496 5.190 490 HD22 ASN 63 2HD2 ASN 63 0.765 -8.775 6.233 491 H PHE 64 H PHE 64 -2.360 -4.868 2.847 492 HA PHE 64 HA PHE 64 -2.069 -1.933 3.106 493 HB2 PHE 64 2HB PHE 64 -1.888 -3.800 0.697 494 HB3 PHE 64 1HB PHE 64 -1.872 -2.042 0.559 495 HD1 PHE 64 HD1 PHE 64 -0.121 -4.761 2.433 496 HD2 PHE 64 HD2 PHE 64 0.253 -1.002 0.462 497 HE1 PHE 64 HE1 PHE 64 2.274 -4.830 2.803 498 HE2 PHE 64 HE2 PHE 64 2.677 -1.066 0.863 499 HZ PHE 64 HZ PHE 64 3.687 -2.986 2.047 500 H ALA 65 H ALA 65 -4.502 -3.630 3.779 501 HA ALA 65 HA ALA 65 -6.608 -3.156 1.961 502 HB1 ALA 65 1HB ALA 65 -6.719 -3.541 4.979 503 HB2 ALA 65 2HB ALA 65 -6.706 -4.830 3.772 504 HB3 ALA 65 3HB ALA 65 -8.078 -3.722 3.864 505 H THR 66 H THR 66 -5.145 -1.165 4.482 506 HA THR 66 HA THR 66 -6.530 1.245 3.552 507 HB THR 66 HB THR 66 -6.886 2.067 5.915 508 HG1 THR 66 HG1 THR 66 -6.626 -0.606 6.795 509 HG21 THR 66 1HG2 THR 66 -8.847 1.131 4.724 510 HG22 THR 66 2HG2 THR 66 -8.932 0.791 6.453 511 HG23 THR 66 3HG2 THR 66 -8.448 -0.480 5.330 512 H VAL 67 H VAL 67 -5.354 3.254 4.470 513 HA VAL 67 HA VAL 67 -2.529 2.886 4.227 514 HB VAL 67 HB VAL 67 -3.791 5.055 3.672 515 HG11 VAL 67 1HG1 VAL 67 -3.395 5.650 6.634 516 HG12 VAL 67 2HG1 VAL 67 -4.941 5.479 5.804 517 HG13 VAL 67 3HG1 VAL 67 -3.876 6.827 5.406 518 HG21 VAL 67 1HG2 VAL 67 -1.790 6.447 4.033 519 HG22 VAL 67 2HG2 VAL 67 -1.348 4.826 3.488 520 HG23 VAL 67 3HG2 VAL 67 -1.168 5.265 5.189 521 H GLN 68 H GLN 68 -4.661 3.269 7.030 522 HA GLN 68 HA GLN 68 -2.709 3.648 9.026 523 HB2 GLN 68 2HB GLN 68 -5.158 3.993 9.403 524 HB3 GLN 68 1HB GLN 68 -5.414 2.254 9.274 525 HG2 GLN 68 2HG GLN 68 -3.962 1.922 11.286 526 HG3 GLN 68 1HG GLN 68 -3.802 3.671 11.428 527 HE21 GLN 68 1HE2 GLN 68 -4.888 1.750 13.332 528 HE22 GLN 68 2HE2 GLN 68 -6.504 2.261 13.665 529 H SER 69 H SER 69 -4.132 0.709 7.626 530 HA SER 69 HA SER 69 -2.844 -1.167 9.323 531 HB2 SER 69 2HB SER 69 -4.927 -1.654 8.036 532 HB3 SER 69 1HB SER 69 -4.008 -1.588 6.537 533 HG SER 69 HG SER 69 -2.780 -3.366 7.336 534 H MET 70 H MET 70 -1.930 0.282 6.179 535 HA MET 70 HA MET 70 0.222 -1.605 5.663 536 HB2 MET 70 2HB MET 70 0.579 -0.493 3.593 537 HB3 MET 70 1HB MET 70 -1.165 -0.442 3.844 538 HG2 MET 70 2HG MET 70 -1.008 1.904 4.525 539 HG3 MET 70 1HG MET 70 0.744 1.857 4.355 540 HE1 MET 70 1HE MET 70 -1.916 0.157 1.922 541 HE2 MET 70 2HE MET 70 -2.185 1.478 0.783 542 HE3 MET 70 3HE MET 70 -2.702 1.643 2.462 543 H VAL 71 H VAL 71 -0.049 1.655 7.002 544 HA VAL 71 HA VAL 71 2.767 2.160 7.235 545 HB VAL 71 HB VAL 71 0.366 3.385 8.660 546 HG11 VAL 71 1HG1 VAL 71 1.875 5.180 9.510 547 HG12 VAL 71 2HG1 VAL 71 3.268 4.298 8.884 548 HG13 VAL 71 3HG1 VAL 71 2.301 3.602 10.183 549 HG21 VAL 71 1HG2 VAL 71 2.162 4.469 6.462 550 HG22 VAL 71 2HG2 VAL 71 0.831 5.345 7.214 551 HG23 VAL 71 3HG2 VAL 71 0.503 3.894 6.264 552 H ALA 72 H ALA 72 0.249 0.937 9.441 553 HA ALA 72 HA ALA 72 1.843 0.753 11.751 554 HB1 ALA 72 1HB ALA 72 -0.653 -0.847 11.076 555 HB2 ALA 72 2HB ALA 72 -0.621 0.750 11.828 556 HB3 ALA 72 3HB ALA 72 0.045 -0.638 12.687 557 H LEU 73 H LEU 73 1.303 -1.495 9.095 558 HA LEU 73 HA LEU 73 2.487 -3.843 10.039 559 HB2 LEU 73 2HB LEU 73 1.308 -4.091 8.032 560 HB3 LEU 73 1HB LEU 73 1.877 -2.565 7.389 561 HG LEU 73 HG LEU 73 4.140 -3.699 7.066 562 HD11 LEU 73 1HD1 LEU 73 3.878 -5.655 8.464 563 HD12 LEU 73 2HD1 LEU 73 4.169 -6.142 6.794 564 HD13 LEU 73 3HD1 LEU 73 2.539 -6.234 7.468 565 HD21 LEU 73 1HD2 LEU 73 1.816 -4.658 5.392 566 HD22 LEU 73 2HD2 LEU 73 3.511 -4.614 4.897 567 HD23 LEU 73 3HD2 LEU 73 2.652 -3.112 5.238 568 H VAL 74 H VAL 74 3.820 -1.014 8.348 569 HA VAL 74 HA VAL 74 6.517 -1.882 8.289 570 HB VAL 74 HB VAL 74 5.411 0.954 8.087 571 HG11 VAL 74 1HG1 VAL 74 7.580 1.557 7.033 572 HG12 VAL 74 2HG1 VAL 74 8.191 -0.067 7.353 573 HG13 VAL 74 3HG1 VAL 74 7.806 1.010 8.697 574 HG21 VAL 74 1HG2 VAL 74 6.197 -0.997 5.871 575 HG22 VAL 74 2HG2 VAL 74 5.650 0.663 5.627 576 HG23 VAL 74 3HG2 VAL 74 4.548 -0.538 6.304 577 H GLN 75 H GLN 75 4.607 -0.088 10.672 578 HA GLN 75 HA GLN 75 6.826 0.675 12.335 579 HB2 GLN 75 2HB GLN 75 3.877 0.494 13.077 580 HB3 GLN 75 1HB GLN 75 5.119 1.360 13.974 581 HG2 GLN 75 2HG GLN 75 4.237 2.040 11.151 582 HG3 GLN 75 1HG GLN 75 3.631 2.825 12.601 583 HE21 GLN 75 1HE2 GLN 75 4.302 4.825 11.854 584 HE22 GLN 75 2HE2 GLN 75 5.958 5.312 11.834 585 H ARG 76 H ARG 76 5.011 -2.246 11.965 586 HA ARG 76 HA ARG 76 5.725 -3.428 14.511 587 HB2 ARG 76 2HB ARG 76 4.575 -4.651 11.967 588 HB3 ARG 76 1HB ARG 76 4.897 -5.586 13.426 589 HG2 ARG 76 2HG ARG 76 2.952 -3.263 13.202 590 HG3 ARG 76 1HG ARG 76 2.524 -4.974 13.270 591 HD2 ARG 76 2HD ARG 76 3.360 -5.171 15.527 592 HD3 ARG 76 1HD ARG 76 4.047 -3.541 15.476 593 HE ARG 76 HE ARG 76 1.413 -3.100 15.013 594 HH11 ARG 76 1HH1 ARG 76 3.084 -4.804 17.575 595 HH12 ARG 76 2HH1 ARG 76 1.872 -4.449 18.761 596 HH21 ARG 76 1HH2 ARG 76 -0.139 -2.605 16.593 597 HH22 ARG 76 2HH2 ARG 76 0.055 -3.207 18.212 598 H LEU 77 H LEU 77 6.862 -3.729 11.112 599 HA LEU 77 HA LEU 77 8.923 -5.593 11.763 600 HB2 LEU 77 2HB LEU 77 9.830 -5.214 9.488 601 HB3 LEU 77 1HB LEU 77 8.122 -5.599 9.507 602 HG LEU 77 HG LEU 77 7.725 -3.056 9.253 603 HD11 LEU 77 1HD1 LEU 77 10.635 -3.068 8.419 604 HD12 LEU 77 2HD1 LEU 77 9.890 -2.149 9.736 605 HD13 LEU 77 3HD1 LEU 77 9.476 -1.780 8.065 606 HD21 LEU 77 1HD2 LEU 77 7.217 -4.650 7.498 607 HD22 LEU 77 2HD2 LEU 77 8.889 -4.605 6.931 608 HD23 LEU 77 3HD2 LEU 77 7.874 -3.164 6.815 609 H LYS 78 H LYS 78 8.752 -2.098 11.837 610 HA LYS 78 HA LYS 78 11.408 -1.277 11.969 611 HB2 LYS 78 2HB LYS 78 8.898 -0.294 13.341 612 HB3 LYS 78 1HB LYS 78 10.434 0.468 13.697 613 HG2 LYS 78 2HG LYS 78 9.201 0.297 10.930 614 HG3 LYS 78 1HG LYS 78 9.088 1.693 12.006 615 HD2 LYS 78 2HD LYS 78 11.616 1.816 11.986 616 HD3 LYS 78 1HD LYS 78 11.625 0.544 10.753 617 HE2 LYS 78 2HE LYS 78 10.427 1.991 9.198 618 HE3 LYS 78 1HE LYS 78 10.218 3.228 10.442 619 HZ1 LYS 78 1HZ LYS 78 12.829 2.316 9.391 620 HZ2 LYS 78 2HZ LYS 78 12.562 3.561 10.502 621 HZ3 LYS 78 3HZ LYS 78 12.021 3.721 8.910 622 H ALA 79 H ALA 79 9.667 -3.207 14.259 623 HA ALA 79 HA ALA 79 11.392 -2.783 16.515 624 HB1 ALA 79 1HB ALA 79 9.326 -4.949 15.997 625 HB2 ALA 79 2HB ALA 79 9.016 -3.395 16.771 626 HB3 ALA 79 3HB ALA 79 10.066 -4.573 17.559 627 H HIS 80 H HIS 80 12.285 -4.089 13.672 628 HA HIS 80 HA HIS 80 13.368 -6.620 14.389 629 HB2 HIS 80 2HB HIS 80 14.671 -6.530 12.292 630 HB3 HIS 80 1HB HIS 80 12.980 -6.148 12.020 631 HD1 HIS 80 HD1 HIS 80 16.288 -4.250 12.392 632 HD2 HIS 80 HD2 HIS 80 12.625 -3.937 10.468 633 HE1 HIS 80 HE1 HIS 80 16.489 -2.266 10.875 634 HE2 HIS 80 HE2 HIS 80 14.336 -2.248 9.569 635 HA PRO 81 HA PRO 81 17.128 -4.998 16.484 636 HB2 PRO 81 2HB PRO 81 17.689 -7.811 17.156 637 HB3 PRO 81 1HB PRO 81 17.266 -6.489 18.257 638 HG2 PRO 81 2HG PRO 81 15.594 -8.592 17.778 639 HG3 PRO 81 1HG PRO 81 15.018 -6.969 18.209 640 HD2 PRO 81 2HD PRO 81 15.161 -8.244 15.476 641 HD3 PRO 81 1HD PRO 81 13.861 -7.267 16.204 642 H GLU 82 H GLU 82 16.863 -7.928 14.529 643 HA GLU 82 HA GLU 82 19.048 -7.157 12.763 644 HB2 GLU 82 2HB GLU 82 20.157 -8.473 14.585 645 HB3 GLU 82 1HB GLU 82 19.049 -9.810 14.291 646 HG2 GLU 82 2HG GLU 82 19.984 -10.084 12.012 647 HG3 GLU 82 1HG GLU 82 21.093 -8.743 12.312 648 H GLN 83 H GLN 83 18.767 -7.994 10.724 649 HA GLN 83 HA GLN 83 16.925 -10.175 10.189 650 HB2 GLN 83 2HB GLN 83 15.618 -8.871 8.485 651 HB3 GLN 83 1HB GLN 83 15.339 -8.340 10.138 652 HG2 GLN 83 2HG GLN 83 16.611 -6.346 9.834 653 HG3 GLN 83 1HG GLN 83 17.304 -6.931 8.321 654 HE21 GLN 83 1HE2 GLN 83 13.868 -7.140 9.192 655 HE22 GLN 83 2HE2 GLN 83 13.330 -6.031 7.982 656 H GLY 84 H GLY 84 17.408 -11.244 8.272 657 HA2 GLY 84 2HA GLY 84 19.943 -10.585 6.954 658 HA3 GLY 84 1HA GLY 84 19.006 -12.063 6.782 659 H GLY 85 H GLY 85 19.475 -8.816 5.595 660 HA2 GLY 85 2HA GLY 85 18.208 -9.363 3.071 661 HA3 GLY 85 1HA GLY 85 17.228 -8.299 4.081 662 H ALA 86 H ALA 86 20.468 -8.696 2.710 663 HA ALA 86 HA ALA 86 21.306 -5.968 3.096 664 HB1 ALA 86 1HB ALA 86 22.945 -7.809 3.039 665 HB2 ALA 86 2HB ALA 86 23.289 -6.630 1.771 666 HB3 ALA 86 3HB ALA 86 22.511 -8.164 1.365 667 H ALA 87 H ALA 87 20.430 -7.920 0.205 668 HA ALA 87 HA ALA 87 19.029 -5.814 -1.098 669 HB1 ALA 87 1HB ALA 87 21.312 -4.937 -1.506 670 HB2 ALA 87 2HB ALA 87 20.542 -5.415 -3.017 671 HB3 ALA 87 3HB ALA 87 21.769 -6.453 -2.285 672 H LEU 88 H LEU 88 17.989 -6.511 -3.022 673 HA LEU 88 HA LEU 88 17.975 -9.331 -3.683 674 HB2 LEU 88 2HB LEU 88 15.973 -7.681 -3.734 675 HB3 LEU 88 1HB LEU 88 16.648 -7.070 -5.226 676 HG LEU 88 HG LEU 88 14.768 -8.639 -5.575 677 HD11 LEU 88 1HD1 LEU 88 16.409 -8.419 -7.361 678 HD12 LEU 88 2HD1 LEU 88 15.730 -10.045 -7.309 679 HD13 LEU 88 3HD1 LEU 88 17.352 -9.745 -6.676 680 HD21 LEU 88 1HD2 LEU 88 14.988 -11.038 -5.128 681 HD22 LEU 88 2HD2 LEU 88 15.073 -10.097 -3.641 682 HD23 LEU 88 3HD2 LEU 88 16.549 -10.762 -4.348 683 H GLU 89 H GLU 89 19.891 -9.925 -4.525 684 HA GLU 89 HA GLU 89 21.523 -8.306 -6.228 685 HB2 GLU 89 2HB GLU 89 22.947 -10.379 -6.345 686 HB3 GLU 89 1HB GLU 89 22.617 -9.810 -4.714 687 HG2 GLU 89 2HG GLU 89 20.800 -11.546 -4.550 688 HG3 GLU 89 1HG GLU 89 21.327 -12.181 -6.108 689 H282 PNS 101 3H28 PNS 136 1.405 -8.806 -2.351 690 H281 PNS 101 2H28 PNS 136 1.148 -9.045 -4.078 691 H303 PNS 101 3H51 PNS 136 3.624 -8.837 -4.369 692 H302 PNS 101 2H51 PNS 136 3.827 -8.675 -2.624 693 H301 PNS 101 1H51 PNS 136 4.720 -9.927 -3.500 694 H313 PNS 101 3H52 PNS 136 2.426 -10.792 -5.324 695 H312 PNS 101 2H52 PNS 136 1.733 -12.021 -4.265 696 H311 PNS 101 1H52 PNS 136 3.493 -11.907 -4.453 697 H32 PNS 101 H32 PNS 136 2.906 -10.429 -1.085 698 H33 PNS 101 H33 PNS 136 0.960 -11.583 -1.571 699 H36 PNS 101 H36 PNS 136 3.158 -13.503 -2.680 700 H372 PNS 101 3H37 PNS 136 5.970 -13.893 -1.867 701 H371 PNS 101 2H37 PNS 136 4.754 -15.148 -2.068 702 H382 PNS 101 3H38 PNS 136 6.337 -15.298 -3.884 703 H381 PNS 101 2H38 PNS 136 4.777 -14.783 -4.514 704 H41 PNS 101 H41 PNS 136 4.673 -12.839 -5.679 705 H422 PNS 101 3H42 PNS 136 6.868 -11.736 -6.929 706 H421 PNS 101 2H42 PNS 136 6.602 -10.730 -5.505 707 H431 PNS 101 2H43 PNS 136 4.306 -10.255 -6.274 708 H432 PNS 101 3H43 PNS 136 5.493 -9.786 -7.504 709 H44 PNS 101 H44 PNS 136 3.612 -12.655 -7.504 Start of MODEL 9 1 H1 MET 1 1H MET 1 2.928 15.940 -0.442 2 H2 MET 1 2H MET 1 1.524 16.869 -0.322 3 H3 MET 1 3H MET 1 1.748 15.847 -1.645 4 HA MET 1 HA MET 1 1.482 14.986 1.162 5 HB2 MET 1 2HB MET 1 -0.528 14.942 -1.127 6 HB3 MET 1 1HB MET 1 -0.746 14.058 0.378 7 HG2 MET 1 2HG MET 1 -0.594 16.264 1.597 8 HG3 MET 1 1HG MET 1 -0.629 17.056 0.020 9 HE1 MET 1 1HE MET 1 -2.631 14.820 2.589 10 HE2 MET 1 2HE MET 1 -2.635 13.788 1.153 11 HE3 MET 1 3HE MET 1 -4.133 14.524 1.706 12 H LEU 2 H LEU 2 2.435 13.105 1.475 13 HA LEU 2 HA LEU 2 3.863 11.775 -0.622 14 HB2 LEU 2 2HB LEU 2 4.726 12.204 1.697 15 HB3 LEU 2 1HB LEU 2 3.571 11.038 2.315 16 HG LEU 2 HG LEU 2 4.721 9.278 0.861 17 HD11 LEU 2 1HD1 LEU 2 7.004 9.745 0.081 18 HD12 LEU 2 2HD1 LEU 2 6.816 11.443 0.525 19 HD13 LEU 2 3HD1 LEU 2 5.806 10.739 -0.743 20 HD21 LEU 2 1HD2 LEU 2 5.119 9.386 3.278 21 HD22 LEU 2 2HD2 LEU 2 6.422 10.552 3.030 22 HD23 LEU 2 3HD2 LEU 2 6.577 8.905 2.412 23 H GLU 3 H GLU 3 1.102 10.879 1.473 24 HA GLU 3 HA GLU 3 0.991 8.155 0.575 25 HB2 GLU 3 2HB GLU 3 -0.907 7.870 1.952 26 HB3 GLU 3 1HB GLU 3 0.160 8.956 2.826 27 HG2 GLU 3 2HG GLU 3 -2.271 9.823 1.238 28 HG3 GLU 3 1HG GLU 3 -2.250 9.534 2.968 29 H SER 4 H SER 4 -0.365 11.122 -0.563 30 HA SER 4 HA SER 4 -2.326 10.030 -2.341 31 HB2 SER 4 2HB SER 4 -0.892 12.727 -2.437 32 HB3 SER 4 1HB SER 4 -2.348 12.304 -3.345 33 HG SER 4 HG SER 4 -2.147 12.273 -0.505 34 H LYS 5 H LYS 5 1.128 10.304 -2.455 35 HA LYS 5 HA LYS 5 1.429 10.141 -5.319 36 HB2 LYS 5 2HB LYS 5 3.069 11.187 -3.567 37 HB3 LYS 5 1HB LYS 5 3.623 9.548 -3.298 38 HG2 LYS 5 2HG LYS 5 3.724 10.982 -5.981 39 HG3 LYS 5 1HG LYS 5 5.066 10.902 -4.842 40 HD2 LYS 5 2HD LYS 5 4.900 8.336 -5.074 41 HD3 LYS 5 1HD LYS 5 3.823 8.630 -6.434 42 HE2 LYS 5 2HE LYS 5 6.724 9.503 -6.213 43 HE3 LYS 5 1HE LYS 5 6.090 8.200 -7.219 44 HZ1 LYS 5 1HZ LYS 5 6.425 10.098 -8.575 45 HZ2 LYS 5 2HZ LYS 5 5.578 11.103 -7.521 46 HZ3 LYS 5 3HZ LYS 5 4.757 9.913 -8.394 47 H LEU 6 H LEU 6 1.445 7.786 -2.579 48 HA LEU 6 HA LEU 6 2.310 5.562 -4.144 49 HB2 LEU 6 2HB LEU 6 1.663 4.104 -2.313 50 HB3 LEU 6 1HB LEU 6 2.465 5.523 -1.688 51 HG LEU 6 HG LEU 6 -0.069 6.348 -1.332 52 HD11 LEU 6 1HD1 LEU 6 -1.175 4.410 -2.273 53 HD12 LEU 6 2HD1 LEU 6 -1.552 4.559 -0.561 54 HD13 LEU 6 3HD1 LEU 6 -0.386 3.348 -1.103 55 HD21 LEU 6 1HD2 LEU 6 1.660 6.193 0.420 56 HD22 LEU 6 2HD2 LEU 6 1.280 4.481 0.641 57 HD23 LEU 6 3HD2 LEU 6 0.064 5.721 0.998 58 H ILE 7 H ILE 7 -0.797 7.088 -3.584 59 HA ILE 7 HA ILE 7 -2.497 5.082 -4.692 60 HB ILE 7 HB ILE 7 -2.930 8.092 -4.474 61 HG12 ILE 7 2HG1 ILE 7 -3.988 5.910 -2.622 62 HG13 ILE 7 1HG1 ILE 7 -2.548 6.863 -2.280 63 HG21 ILE 7 1HG2 ILE 7 -5.022 5.930 -4.937 64 HG22 ILE 7 2HG2 ILE 7 -4.443 7.058 -6.161 65 HG23 ILE 7 3HG2 ILE 7 -5.334 7.660 -4.760 66 HD11 ILE 7 1HD1 ILE 7 -3.914 8.904 -2.260 67 HD12 ILE 7 2HD1 ILE 7 -4.451 7.721 -1.070 68 HD13 ILE 7 3HD1 ILE 7 -5.357 7.931 -2.566 69 H ASN 8 H ASN 8 -1.326 8.215 -6.081 70 HA ASN 8 HA ASN 8 -2.750 7.897 -8.512 71 HB2 ASN 8 2HB ASN 8 -1.786 9.969 -9.221 72 HB3 ASN 8 1HB ASN 8 -2.055 10.109 -7.493 73 HD21 ASN 8 1HD2 ASN 8 -0.323 11.709 -9.086 74 HD22 ASN 8 2HD2 ASN 8 1.285 11.476 -8.498 75 H HIS 9 H HIS 9 0.342 6.809 -7.499 76 HA HIS 9 HA HIS 9 1.732 6.519 -9.902 77 HB2 HIS 9 2HB HIS 9 2.706 6.242 -7.621 78 HB3 HIS 9 1HB HIS 9 1.860 4.706 -7.450 79 HD1 HIS 9 HD1 HIS 9 5.103 5.910 -8.183 80 HD2 HIS 9 HD2 HIS 9 2.743 2.896 -9.808 81 HE1 HIS 9 HE1 HIS 9 6.692 4.406 -9.401 82 HE2 HIS 9 HE2 HIS 9 5.272 2.460 -10.121 83 H ILE 10 H ILE 10 -0.040 3.837 -8.176 84 HA ILE 10 HA ILE 10 -0.168 2.327 -10.661 85 HB ILE 10 HB ILE 10 -1.444 0.603 -9.291 86 HG12 ILE 10 2HG1 ILE 10 -0.862 0.834 -6.714 87 HG13 ILE 10 1HG1 ILE 10 -0.833 2.551 -7.044 88 HG21 ILE 10 1HG2 ILE 10 1.387 1.265 -8.476 89 HG22 ILE 10 2HG2 ILE 10 0.870 0.308 -9.866 90 HG23 ILE 10 3HG2 ILE 10 0.588 -0.293 -8.232 91 HD11 ILE 10 1HD1 ILE 10 -3.162 0.680 -7.413 92 HD12 ILE 10 2HD1 ILE 10 -3.161 2.407 -7.784 93 HD13 ILE 10 3HD1 ILE 10 -2.938 1.862 -6.122 94 H ALA 11 H ALA 11 -2.359 4.395 -8.843 95 HA ALA 11 HA ALA 11 -4.820 3.858 -9.938 96 HB1 ALA 11 1HB ALA 11 -3.655 6.627 -9.540 97 HB2 ALA 11 2HB ALA 11 -4.409 5.645 -8.284 98 HB3 ALA 11 3HB ALA 11 -5.371 6.220 -9.647 99 H THR 12 H THR 12 -1.999 5.022 -11.609 100 HA THR 12 HA THR 12 -3.102 6.070 -13.965 101 HB THR 12 HB THR 12 -0.479 4.548 -13.722 102 HG1 THR 12 HG1 THR 12 -0.463 6.142 -12.167 103 HG21 THR 12 1HG2 THR 12 0.297 6.039 -15.527 104 HG22 THR 12 2HG2 THR 12 -1.296 6.796 -15.609 105 HG23 THR 12 3HG2 THR 12 -1.099 5.102 -16.065 106 H GLN 13 H GLN 13 -2.126 2.732 -13.159 107 HA GLN 13 HA GLN 13 -3.190 1.656 -15.687 108 HB2 GLN 13 2HB GLN 13 -2.118 -0.458 -15.011 109 HB3 GLN 13 1HB GLN 13 -0.967 0.870 -14.936 110 HG2 GLN 13 2HG GLN 13 -1.171 0.967 -12.507 111 HG3 GLN 13 1HG GLN 13 -2.426 -0.263 -12.531 112 HE21 GLN 13 1HE2 GLN 13 0.986 0.350 -12.807 113 HE22 GLN 13 2HE2 GLN 13 1.495 -1.300 -12.726 114 H PHE 14 H PHE 14 -4.153 2.090 -12.443 115 HA PHE 14 HA PHE 14 -5.958 -0.211 -12.358 116 HB2 PHE 14 2HB PHE 14 -4.539 1.464 -10.319 117 HB3 PHE 14 1HB PHE 14 -6.196 1.039 -9.878 118 HD1 PHE 14 HD1 PHE 14 -5.601 -0.416 -8.019 119 HD2 PHE 14 HD2 PHE 14 -3.960 -1.147 -11.909 120 HE1 PHE 14 HE1 PHE 14 -4.913 -2.656 -7.334 121 HE2 PHE 14 HE2 PHE 14 -3.267 -3.383 -11.194 122 HZ PHE 14 HZ PHE 14 -3.750 -4.149 -8.908 123 H LEU 15 H LEU 15 -6.044 3.286 -12.607 124 HA LEU 15 HA LEU 15 -9.022 3.283 -12.582 125 HB2 LEU 15 2HB LEU 15 -7.321 5.426 -11.258 126 HB3 LEU 15 1HB LEU 15 -9.071 5.284 -11.222 127 HG LEU 15 HG LEU 15 -7.105 3.433 -9.805 128 HD11 LEU 15 1HD1 LEU 15 -7.174 5.687 -8.852 129 HD12 LEU 15 2HD1 LEU 15 -7.844 4.491 -7.765 130 HD13 LEU 15 3HD1 LEU 15 -8.925 5.571 -8.642 131 HD21 LEU 15 1HD2 LEU 15 -10.156 3.469 -9.674 132 HD22 LEU 15 2HD2 LEU 15 -9.086 2.492 -8.663 133 HD23 LEU 15 3HD2 LEU 15 -9.147 2.211 -10.398 134 H ASP 16 H ASP 16 -6.583 3.732 -14.612 135 HA ASP 16 HA ASP 16 -6.355 4.766 -16.623 136 HB2 ASP 16 2HB ASP 16 -8.923 4.638 -16.670 137 HB3 ASP 16 1HB ASP 16 -8.952 6.273 -16.066 138 H GLY 17 H GLY 17 -5.408 5.928 -14.038 139 HA2 GLY 17 2HA GLY 17 -3.934 7.664 -13.577 140 HA3 GLY 17 1HA GLY 17 -4.418 8.476 -15.054 141 H GLU 18 H GLU 18 -7.010 7.500 -13.067 142 HA GLU 18 HA GLU 18 -7.391 10.245 -12.016 143 HB2 GLU 18 2HB GLU 18 -9.652 10.019 -12.431 144 HB3 GLU 18 1HB GLU 18 -9.131 8.783 -13.578 145 HG2 GLU 18 2HG GLU 18 -9.517 7.066 -11.765 146 HG3 GLU 18 1HG GLU 18 -10.213 8.345 -10.773 147 H LYS 19 H LYS 19 -7.819 10.483 -9.745 148 HA LYS 19 HA LYS 19 -7.491 8.055 -8.066 149 HB2 LYS 19 2HB LYS 19 -7.439 10.955 -7.155 150 HB3 LYS 19 1HB LYS 19 -7.109 9.524 -6.178 151 HG2 LYS 19 2HG LYS 19 -5.187 9.078 -7.885 152 HG3 LYS 19 1HG LYS 19 -5.392 10.777 -8.315 153 HD2 LYS 19 2HD LYS 19 -4.873 9.778 -5.496 154 HD3 LYS 19 1HD LYS 19 -3.607 10.330 -6.586 155 HE2 LYS 19 2HE LYS 19 -4.053 12.182 -5.160 156 HE3 LYS 19 1HE LYS 19 -4.865 12.575 -6.671 157 HZ1 LYS 19 1HZ LYS 19 -6.231 13.083 -4.772 158 HZ2 LYS 19 2HZ LYS 19 -6.168 11.487 -4.234 159 HZ3 LYS 19 3HZ LYS 19 -6.954 11.865 -5.681 160 H ASP 20 H ASP 20 -9.457 7.141 -7.924 161 HA ASP 20 HA ASP 20 -11.669 8.536 -6.685 162 HB2 ASP 20 2HB ASP 20 -11.885 9.198 -9.092 163 HB3 ASP 20 1HB ASP 20 -11.996 7.498 -9.538 164 H GLY 21 H GLY 21 -12.463 7.133 -5.297 165 HA2 GLY 21 2HA GLY 21 -13.328 5.158 -4.421 166 HA3 GLY 21 1HA GLY 21 -12.830 4.289 -5.863 167 H LEU 22 H LEU 22 -10.097 5.292 -5.736 168 HA LEU 22 HA LEU 22 -8.967 3.663 -3.573 169 HB2 LEU 22 2HB LEU 22 -8.292 3.251 -5.945 170 HB3 LEU 22 1HB LEU 22 -7.688 4.889 -6.039 171 HG LEU 22 HG LEU 22 -5.998 4.288 -4.238 172 HD11 LEU 22 1HD1 LEU 22 -7.136 2.354 -3.257 173 HD12 LEU 22 2HD1 LEU 22 -5.521 1.917 -3.806 174 HD13 LEU 22 3HD1 LEU 22 -6.931 1.446 -4.758 175 HD21 LEU 22 1HD2 LEU 22 -5.849 2.710 -6.827 176 HD22 LEU 22 2HD2 LEU 22 -4.491 3.154 -5.789 177 HD23 LEU 22 3HD2 LEU 22 -5.407 4.408 -6.617 178 H ASP 23 H ASP 23 -8.774 4.872 -1.827 179 HA ASP 23 HA ASP 23 -6.941 7.130 -1.873 180 HB2 ASP 23 2HB ASP 23 -9.040 8.340 -1.894 181 HB3 ASP 23 1HB ASP 23 -9.745 7.278 -0.683 182 H SER 24 H SER 24 -5.936 7.455 0.181 183 HA SER 24 HA SER 24 -4.997 5.095 1.300 184 HB2 SER 24 2HB SER 24 -4.895 7.919 2.430 185 HB3 SER 24 1HB SER 24 -3.824 6.599 2.877 186 HG SER 24 HG SER 24 -3.210 6.558 0.597 187 H GLN 25 H GLN 25 -7.443 7.375 2.629 188 HA GLN 25 HA GLN 25 -7.760 5.785 5.066 189 HB2 GLN 25 2HB GLN 25 -9.091 8.361 4.139 190 HB3 GLN 25 1HB GLN 25 -9.387 7.593 5.701 191 HG2 GLN 25 2HG GLN 25 -7.017 7.886 6.309 192 HG3 GLN 25 1HG GLN 25 -6.706 8.636 4.741 193 HE21 GLN 25 1HE2 GLN 25 -8.321 9.013 7.820 194 HE22 GLN 25 2HE2 GLN 25 -8.529 10.724 7.715 195 H THR 26 H THR 26 -9.114 5.808 1.984 196 HA THR 26 HA THR 26 -11.764 4.877 2.576 197 HB THR 26 HB THR 26 -10.100 4.800 0.019 198 HG1 THR 26 HG1 THR 26 -10.707 6.897 0.979 199 HG21 THR 26 1HG2 THR 26 -13.090 4.362 0.364 200 HG22 THR 26 2HG2 THR 26 -11.917 3.145 -0.139 201 HG23 THR 26 3HG2 THR 26 -12.243 4.528 -1.186 202 HA PRO 27 HA PRO 27 -10.622 0.587 3.472 203 HB2 PRO 27 2HB PRO 27 -13.041 -0.647 3.014 204 HB3 PRO 27 1HB PRO 27 -12.712 0.324 4.468 205 HG2 PRO 27 2HG PRO 27 -14.148 1.138 1.954 206 HG3 PRO 27 1HG PRO 27 -14.594 1.451 3.645 207 HD2 PRO 27 2HD PRO 27 -13.392 3.333 2.127 208 HD3 PRO 27 1HD PRO 27 -13.053 3.205 3.863 209 H LEU 28 H LEU 28 -9.196 0.008 1.898 210 HA LEU 28 HA LEU 28 -9.802 -0.122 -0.895 211 HB2 LEU 28 2HB LEU 28 -7.377 -1.242 0.565 212 HB3 LEU 28 1HB LEU 28 -7.495 -0.895 -1.154 213 HG LEU 28 HG LEU 28 -7.404 1.118 1.124 214 HD11 LEU 28 1HD1 LEU 28 -5.225 0.207 0.522 215 HD12 LEU 28 2HD1 LEU 28 -5.342 1.907 0.082 216 HD13 LEU 28 3HD1 LEU 28 -5.473 0.665 -1.166 217 HD21 LEU 28 1HD2 LEU 28 -7.908 1.675 -1.818 218 HD22 LEU 28 2HD2 LEU 28 -7.517 2.895 -0.603 219 HD23 LEU 28 3HD2 LEU 28 -9.009 1.973 -0.467 220 H PHE 29 H PHE 29 -9.982 -2.404 1.708 221 HA PHE 29 HA PHE 29 -10.065 -4.752 -0.005 222 HB2 PHE 29 2HB PHE 29 -9.606 -4.277 2.843 223 HB3 PHE 29 1HB PHE 29 -10.882 -5.477 2.661 224 HD1 PHE 29 HD1 PHE 29 -7.690 -4.652 0.921 225 HD2 PHE 29 HD2 PHE 29 -10.060 -7.702 2.758 226 HE1 PHE 29 HE1 PHE 29 -6.016 -6.300 0.356 227 HE2 PHE 29 HE2 PHE 29 -8.346 -9.371 2.174 228 HZ PHE 29 HZ PHE 29 -6.323 -8.674 0.956 229 H GLU 30 H GLU 30 -12.348 -2.983 2.085 230 HA GLU 30 HA GLU 30 -14.528 -4.755 1.738 231 HB2 GLU 30 2HB GLU 30 -14.572 -1.804 2.498 232 HB3 GLU 30 1HB GLU 30 -15.905 -2.940 2.720 233 HG2 GLU 30 2HG GLU 30 -14.454 -4.281 4.239 234 HG3 GLU 30 1HG GLU 30 -13.198 -3.056 4.074 235 H LEU 31 H LEU 31 -13.406 -2.014 -0.115 236 HA LEU 31 HA LEU 31 -15.680 -2.148 -1.979 237 HB2 LEU 31 2HB LEU 31 -13.266 -0.303 -2.075 238 HB3 LEU 31 1HB LEU 31 -14.774 -0.131 -2.965 239 HG LEU 31 HG LEU 31 -14.319 0.292 0.009 240 HD11 LEU 31 1HD1 LEU 31 -14.990 2.589 -0.429 241 HD12 LEU 31 2HD1 LEU 31 -15.193 2.226 -2.147 242 HD13 LEU 31 3HD1 LEU 31 -13.593 2.130 -1.403 243 HD21 LEU 31 1HD2 LEU 31 -16.983 0.298 -1.456 244 HD22 LEU 31 2HD2 LEU 31 -16.722 0.888 0.187 245 HD23 LEU 31 3HD2 LEU 31 -16.464 -0.814 -0.179 246 H ASN 32 H ASN 32 -12.414 -3.218 -1.580 247 HA ASN 32 HA ASN 32 -10.963 -4.483 -2.752 248 HB2 ASN 32 2HB ASN 32 -12.962 -6.005 -2.866 249 HB3 ASN 32 1HB ASN 32 -13.407 -5.287 -4.407 250 HD21 ASN 32 1HD2 ASN 32 -12.315 -5.934 -6.261 251 HD22 ASN 32 2HD2 ASN 32 -11.164 -7.228 -6.288 252 H ILE 33 H ILE 33 -10.700 -1.935 -3.338 253 HA ILE 33 HA ILE 33 -10.942 -1.358 -6.171 254 HB ILE 33 HB ILE 33 -9.500 0.258 -4.018 255 HG12 ILE 33 2HG1 ILE 33 -11.899 -0.023 -3.430 256 HG13 ILE 33 1HG1 ILE 33 -11.568 1.639 -3.895 257 HG21 ILE 33 1HG2 ILE 33 -8.768 0.896 -6.254 258 HG22 ILE 33 2HG2 ILE 33 -9.825 2.162 -5.621 259 HG23 ILE 33 3HG2 ILE 33 -10.441 1.016 -6.808 260 HD11 ILE 33 1HD1 ILE 33 -12.541 1.215 -6.103 261 HD12 ILE 33 2HD1 ILE 33 -13.677 0.885 -4.797 262 HD13 ILE 33 3HD1 ILE 33 -12.883 -0.453 -5.627 263 H VAL 34 H VAL 34 -8.217 -1.761 -3.870 264 HA VAL 34 HA VAL 34 -6.312 -1.958 -6.094 265 HB VAL 34 HB VAL 34 -5.726 -0.606 -4.071 266 HG11 VAL 34 1HG1 VAL 34 -5.007 -1.683 -1.976 267 HG12 VAL 34 2HG1 VAL 34 -5.483 -3.262 -2.605 268 HG13 VAL 34 3HG1 VAL 34 -6.710 -2.027 -2.301 269 HG21 VAL 34 1HG2 VAL 34 -3.376 -1.383 -3.865 270 HG22 VAL 34 2HG2 VAL 34 -3.928 -1.380 -5.539 271 HG23 VAL 34 3HG2 VAL 34 -3.815 -2.902 -4.652 272 H ASP 35 H ASP 35 -5.010 -3.773 -6.462 273 HA ASP 35 HA ASP 35 -6.005 -6.382 -5.494 274 HB2 ASP 35 2HB ASP 35 -6.524 -5.954 -7.870 275 HB3 ASP 35 1HB ASP 35 -4.845 -5.589 -8.211 276 H SER 36 H SER 36 -4.363 -8.101 -5.768 277 HA SER 36 HA SER 36 -2.159 -7.881 -4.101 278 HB2 SER 36 2HB SER 36 -3.444 -9.965 -4.899 279 HB3 SER 36 1HB SER 36 -2.459 -9.921 -6.362 280 H ALA 37 H ALA 37 -2.384 -7.487 -7.625 281 HA ALA 37 HA ALA 37 0.360 -7.627 -8.316 282 HB1 ALA 37 1HB ALA 37 -1.898 -6.208 -9.778 283 HB2 ALA 37 2HB ALA 37 -1.475 -7.914 -9.929 284 HB3 ALA 37 3HB ALA 37 -0.343 -6.678 -10.475 285 H ALA 38 H ALA 38 -1.573 -4.891 -7.149 286 HA ALA 38 HA ALA 38 0.439 -2.896 -7.900 287 HB1 ALA 38 1HB ALA 38 -2.172 -2.580 -6.397 288 HB2 ALA 38 2HB ALA 38 -1.918 -2.298 -8.119 289 HB3 ALA 38 3HB ALA 38 -1.130 -1.260 -6.930 290 H ILE 39 H ILE 39 -0.243 -4.893 -5.176 291 HA ILE 39 HA ILE 39 0.475 -3.181 -3.031 292 HB ILE 39 HB ILE 39 0.677 -6.227 -3.154 293 HG12 ILE 39 2HG1 ILE 39 -1.605 -5.414 -3.679 294 HG13 ILE 39 1HG1 ILE 39 -1.569 -6.258 -2.138 295 HG21 ILE 39 1HG2 ILE 39 0.617 -4.374 -0.730 296 HG22 ILE 39 2HG2 ILE 39 1.976 -5.380 -1.254 297 HG23 ILE 39 3HG2 ILE 39 0.494 -6.136 -0.654 298 HD11 ILE 39 1HD1 ILE 39 -1.643 -3.264 -2.505 299 HD12 ILE 39 2HD1 ILE 39 -1.626 -4.130 -0.961 300 HD13 ILE 39 3HD1 ILE 39 -2.992 -4.309 -2.059 301 H PHE 40 H PHE 40 2.353 -5.250 -5.175 302 HA PHE 40 HA PHE 40 4.857 -5.223 -3.942 303 HB2 PHE 40 2HB PHE 40 4.349 -6.650 -5.880 304 HB3 PHE 40 1HB PHE 40 4.172 -5.237 -6.915 305 HD1 PHE 40 HD1 PHE 40 6.703 -6.871 -4.660 306 HD2 PHE 40 HD2 PHE 40 6.042 -4.587 -8.227 307 HE1 PHE 40 HE1 PHE 40 9.102 -6.961 -5.174 308 HE2 PHE 40 HE2 PHE 40 8.450 -4.694 -8.732 309 HZ PHE 40 HZ PHE 40 9.981 -5.878 -7.204 310 H ASP 41 H ASP 41 3.275 -2.750 -5.907 311 HA ASP 41 HA ASP 41 5.584 -1.001 -6.038 312 HB2 ASP 41 2HB ASP 41 3.980 -0.966 -7.882 313 HB3 ASP 41 1HB ASP 41 2.658 -0.576 -6.779 314 H LEU 42 H LEU 42 2.473 -1.065 -4.295 315 HA LEU 42 HA LEU 42 2.644 1.343 -2.885 316 HB2 LEU 42 2HB LEU 42 1.351 -1.266 -1.988 317 HB3 LEU 42 1HB LEU 42 1.037 0.310 -1.272 318 HG LEU 42 HG LEU 42 0.271 -0.602 -4.073 319 HD11 LEU 42 1HD1 LEU 42 -2.038 -0.303 -3.303 320 HD12 LEU 42 2HD1 LEU 42 -1.459 0.118 -1.688 321 HD13 LEU 42 3HD1 LEU 42 -1.177 -1.500 -2.340 322 HD21 LEU 42 1HD2 LEU 42 0.945 1.746 -4.187 323 HD22 LEU 42 2HD2 LEU 42 -0.136 2.148 -2.851 324 HD23 LEU 42 3HD2 LEU 42 -0.797 1.589 -4.390 325 H VAL 43 H VAL 43 3.936 -1.834 -2.135 326 HA VAL 43 HA VAL 43 4.798 -1.176 0.514 327 HB VAL 43 HB VAL 43 4.191 -3.524 -0.250 328 HG11 VAL 43 1HG1 VAL 43 6.936 -3.526 -1.551 329 HG12 VAL 43 2HG1 VAL 43 5.379 -3.623 -2.379 330 HG13 VAL 43 3HG1 VAL 43 5.897 -4.933 -1.318 331 HG21 VAL 43 1HG2 VAL 43 6.868 -3.162 1.131 332 HG22 VAL 43 2HG2 VAL 43 5.879 -4.622 1.187 333 HG23 VAL 43 3HG2 VAL 43 5.275 -3.123 1.893 334 H ASP 44 H ASP 44 6.270 -1.301 -2.735 335 HA ASP 44 HA ASP 44 8.976 -1.062 -1.946 336 HB2 ASP 44 2HB ASP 44 8.233 -1.610 -4.302 337 HB3 ASP 44 1HB ASP 44 7.771 0.059 -4.518 338 H PHE 45 H PHE 45 6.413 1.210 -2.572 339 HA PHE 45 HA PHE 45 7.826 3.589 -2.443 340 HB2 PHE 45 2HB PHE 45 5.517 3.348 -3.316 341 HB3 PHE 45 1HB PHE 45 4.928 2.997 -1.697 342 HD1 PHE 45 HD1 PHE 45 6.180 5.631 -3.958 343 HD2 PHE 45 HD2 PHE 45 4.609 4.817 -0.055 344 HE1 PHE 45 HE1 PHE 45 5.798 8.022 -3.589 345 HE2 PHE 45 HE2 PHE 45 4.242 7.219 0.285 346 HZ PHE 45 HZ PHE 45 4.845 8.817 -1.477 347 H LEU 46 H LEU 46 5.944 1.897 0.123 348 HA LEU 46 HA LEU 46 6.560 3.770 2.186 349 HB2 LEU 46 2HB LEU 46 5.553 0.917 2.446 350 HB3 LEU 46 1HB LEU 46 5.595 2.091 3.754 351 HG LEU 46 HG LEU 46 3.870 2.252 1.250 352 HD11 LEU 46 1HD1 LEU 46 3.088 1.802 4.144 353 HD12 LEU 46 2HD1 LEU 46 3.081 0.593 2.856 354 HD13 LEU 46 3HD1 LEU 46 1.985 1.967 2.774 355 HD21 LEU 46 1HD2 LEU 46 4.055 4.232 3.556 356 HD22 LEU 46 2HD2 LEU 46 2.850 4.268 2.265 357 HD23 LEU 46 3HD2 LEU 46 4.551 4.514 1.884 358 H ARG 47 H ARG 47 8.100 0.696 1.275 359 HA ARG 47 HA ARG 47 9.738 0.515 3.621 360 HB2 ARG 47 2HB ARG 47 10.911 -1.305 2.505 361 HB3 ARG 47 1HB ARG 47 9.186 -1.487 2.215 362 HG2 ARG 47 2HG ARG 47 9.504 -0.480 -0.042 363 HG3 ARG 47 1HG ARG 47 11.237 -0.423 0.245 364 HD2 ARG 47 2HD ARG 47 9.692 -3.024 0.384 365 HD3 ARG 47 1HD ARG 47 10.272 -2.385 -1.152 366 HE ARG 47 HE ARG 47 11.868 -3.510 1.006 367 HH11 ARG 47 1HH1 ARG 47 11.898 -1.707 -2.031 368 HH12 ARG 47 2HH1 ARG 47 13.558 -2.071 -2.359 369 HH21 ARG 47 1HH2 ARG 47 14.042 -4.029 0.499 370 HH22 ARG 47 2HH2 ARG 47 14.764 -3.375 -0.936 371 H GLN 48 H GLN 48 10.037 2.013 0.488 372 HA GLN 48 HA GLN 48 12.777 2.795 0.591 373 HB2 GLN 48 2HB GLN 48 11.362 2.645 -1.460 374 HB3 GLN 48 1HB GLN 48 10.396 3.994 -0.884 375 HG2 GLN 48 2HG GLN 48 12.370 5.473 -1.090 376 HG3 GLN 48 1HG GLN 48 13.318 4.108 -1.683 377 HE21 GLN 48 1HE2 GLN 48 11.007 3.015 -3.250 378 HE22 GLN 48 2HE2 GLN 48 10.866 4.058 -4.616 379 H GLU 49 H GLU 49 9.699 4.399 1.357 380 HA GLU 49 HA GLU 49 10.769 6.903 2.184 381 HB2 GLU 49 2HB GLU 49 8.046 5.605 2.595 382 HB3 GLU 49 1HB GLU 49 8.419 7.232 3.133 383 HG2 GLU 49 2HG GLU 49 8.318 6.213 0.283 384 HG3 GLU 49 1HG GLU 49 7.250 7.395 1.037 385 H SER 50 H SER 50 10.200 3.905 3.808 386 HA SER 50 HA SER 50 10.882 5.048 6.460 387 HB2 SER 50 2HB SER 50 9.849 2.276 5.780 388 HB3 SER 50 1HB SER 50 10.055 2.946 7.397 389 HG SER 50 HG SER 50 8.093 3.416 5.500 390 H LYS 51 H LYS 51 12.541 3.694 3.921 391 HA LYS 51 HA LYS 51 14.689 3.051 3.648 392 HB2 LYS 51 2HB LYS 51 14.968 4.252 6.431 393 HB3 LYS 51 1HB LYS 51 16.325 3.823 5.400 394 HG2 LYS 51 2HG LYS 51 16.099 6.129 5.080 395 HG3 LYS 51 1HG LYS 51 15.307 5.446 3.676 396 HD2 LYS 51 2HD LYS 51 14.043 7.348 4.506 397 HD3 LYS 51 1HD LYS 51 13.115 5.866 4.721 398 HE2 LYS 51 2HE LYS 51 13.756 5.826 7.119 399 HE3 LYS 51 1HE LYS 51 14.670 7.319 6.895 400 HZ1 LYS 51 1HZ LYS 51 12.653 8.454 6.333 401 HZ2 LYS 51 2HZ LYS 51 12.474 7.697 7.826 402 HZ3 LYS 51 3HZ LYS 51 11.752 7.033 6.451 403 H VAL 52 H VAL 52 12.958 1.080 4.483 404 HA VAL 52 HA VAL 52 14.624 -0.845 5.980 405 HB VAL 52 HB VAL 52 12.694 -0.010 7.346 406 HG11 VAL 52 1HG1 VAL 52 10.886 -1.191 5.196 407 HG12 VAL 52 2HG1 VAL 52 11.091 0.526 5.549 408 HG13 VAL 52 3HG1 VAL 52 10.350 -0.537 6.748 409 HG21 VAL 52 1HG2 VAL 52 12.400 -2.926 6.551 410 HG22 VAL 52 2HG2 VAL 52 11.760 -2.194 8.024 411 HG23 VAL 52 3HG2 VAL 52 13.505 -2.283 7.770 412 H SER 53 H SER 53 14.468 -3.015 5.173 413 HA SER 53 HA SER 53 13.026 -3.388 2.612 414 HB2 SER 53 2HB SER 53 15.470 -3.927 2.551 415 HB3 SER 53 1HB SER 53 15.214 -5.167 3.785 416 HG SER 53 HG SER 53 14.442 -6.446 2.292 417 H ILE 54 H ILE 54 11.725 -5.209 2.363 418 HA ILE 54 HA ILE 54 10.688 -6.481 4.812 419 HB ILE 54 HB ILE 54 9.261 -4.543 4.331 420 HG12 ILE 54 2HG1 ILE 54 7.872 -7.147 3.556 421 HG13 ILE 54 1HG1 ILE 54 8.107 -6.547 5.191 422 HG21 ILE 54 1HG2 ILE 54 9.803 -4.285 1.932 423 HG22 ILE 54 2HG2 ILE 54 8.069 -4.225 2.232 424 HG23 ILE 54 3HG2 ILE 54 8.791 -5.687 1.560 425 HD11 ILE 54 1HD1 ILE 54 6.355 -5.337 3.060 426 HD12 ILE 54 2HD1 ILE 54 6.624 -4.637 4.658 427 HD13 ILE 54 3HD1 ILE 54 5.841 -6.209 4.500 428 H GLY 55 H GLY 55 9.820 -8.566 4.482 429 HA2 GLY 55 2HA GLY 55 10.618 -9.943 2.012 430 HA3 GLY 55 1HA GLY 55 10.161 -10.697 3.532 431 H MET 56 H MET 56 9.161 -11.385 0.885 432 HA MET 56 HA MET 56 6.692 -10.259 0.172 433 HB2 MET 56 2HB MET 56 7.867 -13.012 -0.328 434 HB3 MET 56 1HB MET 56 6.322 -12.522 -1.015 435 HG2 MET 56 2HG MET 56 8.939 -11.077 -1.510 436 HG3 MET 56 1HG MET 56 8.226 -12.286 -2.586 437 HE1 MET 56 1HE MET 56 7.542 -9.004 -4.598 438 HE2 MET 56 2HE MET 56 8.197 -10.640 -4.658 439 HE3 MET 56 3HE MET 56 8.986 -9.407 -3.671 440 H GLN 57 H GLN 57 7.400 -12.582 2.707 441 HA GLN 57 HA GLN 57 4.782 -13.615 3.106 442 HB2 GLN 57 2HB GLN 57 5.574 -14.359 5.320 443 HB3 GLN 57 1HB GLN 57 6.744 -14.743 4.063 444 HG2 GLN 57 2HG GLN 57 8.214 -12.966 4.768 445 HG3 GLN 57 1HG GLN 57 7.004 -12.326 5.879 446 HE21 GLN 57 1HE2 GLN 57 6.578 -13.465 7.813 447 HE22 GLN 57 2HE2 GLN 57 7.683 -14.634 8.445 448 H GLU 58 H GLU 58 6.398 -10.682 4.184 449 HA GLU 58 HA GLU 58 4.264 -9.897 6.026 450 HB2 GLU 58 2HB GLU 58 6.692 -8.288 5.153 451 HB3 GLU 58 1HB GLU 58 5.700 -8.019 6.583 452 HG2 GLU 58 2HG GLU 58 6.565 -10.037 7.617 453 HG3 GLU 58 1HG GLU 58 7.427 -10.469 6.140 454 H ILE 59 H ILE 59 5.355 -9.319 2.747 455 HA ILE 59 HA ILE 59 3.765 -6.947 2.305 456 HB ILE 59 HB ILE 59 4.832 -8.766 0.100 457 HG12 ILE 59 2HG1 ILE 59 6.321 -6.474 1.452 458 HG13 ILE 59 1HG1 ILE 59 6.736 -8.176 1.585 459 HG21 ILE 59 1HG2 ILE 59 3.182 -6.960 -0.483 460 HG22 ILE 59 2HG2 ILE 59 4.738 -6.784 -1.286 461 HG23 ILE 59 3HG2 ILE 59 4.339 -5.765 0.104 462 HD11 ILE 59 1HD1 ILE 59 7.246 -8.237 -0.804 463 HD12 ILE 59 2HD1 ILE 59 8.202 -7.022 0.044 464 HD13 ILE 59 3HD1 ILE 59 6.817 -6.527 -0.935 465 H HIS 60 H HIS 60 1.627 -7.276 2.634 466 HA HIS 60 HA HIS 60 0.166 -9.331 1.101 467 HB2 HIS 60 2HB HIS 60 0.237 -9.027 4.084 468 HB3 HIS 60 1HB HIS 60 -1.367 -9.211 3.393 469 HD1 HIS 60 HD1 HIS 60 1.934 -11.102 3.594 470 HD2 HIS 60 HD2 HIS 60 -2.110 -11.744 2.849 471 HE1 HIS 60 HE1 HIS 60 1.651 -13.597 3.523 472 HE2 HIS 60 HE2 HIS 60 -0.769 -13.957 2.905 473 HA PRO 61 HA PRO 61 -2.509 -5.754 0.255 474 HB2 PRO 61 2HB PRO 61 -4.760 -7.258 -0.519 475 HB3 PRO 61 1HB PRO 61 -3.444 -6.776 -1.605 476 HG2 PRO 61 2HG PRO 61 -3.903 -9.399 -0.254 477 HG3 PRO 61 1HG PRO 61 -3.273 -9.057 -1.880 478 HD2 PRO 61 2HD PRO 61 -1.648 -9.774 0.175 479 HD3 PRO 61 1HD PRO 61 -1.118 -8.658 -1.107 480 H ALA 62 H ALA 62 -3.320 -8.548 2.273 481 HA ALA 62 HA ALA 62 -5.448 -7.654 3.795 482 HB1 ALA 62 1HB ALA 62 -4.522 -9.917 4.021 483 HB2 ALA 62 2HB ALA 62 -4.606 -9.137 5.602 484 HB3 ALA 62 3HB ALA 62 -3.059 -9.267 4.759 485 H ASN 63 H ASN 63 -1.999 -6.942 4.161 486 HA ASN 63 HA ASN 63 -2.319 -5.291 6.521 487 HB2 ASN 63 2HB ASN 63 0.096 -5.746 4.715 488 HB3 ASN 63 1HB ASN 63 0.133 -4.895 6.259 489 HD21 ASN 63 1HD2 ASN 63 1.581 -7.277 5.428 490 HD22 ASN 63 2HD2 ASN 63 1.177 -8.513 6.564 491 H PHE 64 H PHE 64 -2.289 -4.809 3.074 492 HA PHE 64 HA PHE 64 -2.117 -1.871 3.327 493 HB2 PHE 64 2HB PHE 64 -1.921 -3.764 0.944 494 HB3 PHE 64 1HB PHE 64 -2.067 -2.019 0.748 495 HD1 PHE 64 HD1 PHE 64 0.090 -4.668 2.228 496 HD2 PHE 64 HD2 PHE 64 -0.148 -0.610 0.945 497 HE1 PHE 64 HE1 PHE 64 2.505 -4.451 2.500 498 HE2 PHE 64 HE2 PHE 64 2.279 -0.397 1.232 499 HZ PHE 64 HZ PHE 64 3.606 -2.316 2.006 500 H ALA 65 H ALA 65 -4.449 -3.670 4.086 501 HA ALA 65 HA ALA 65 -6.644 -3.336 2.370 502 HB1 ALA 65 1HB ALA 65 -8.023 -3.849 4.345 503 HB2 ALA 65 2HB ALA 65 -6.641 -3.552 5.406 504 HB3 ALA 65 3HB ALA 65 -6.608 -4.903 4.272 505 H THR 66 H THR 66 -5.205 -1.174 4.761 506 HA THR 66 HA THR 66 -6.614 1.155 3.702 507 HB THR 66 HB THR 66 -6.997 2.044 6.096 508 HG1 THR 66 HG1 THR 66 -7.335 -0.437 7.184 509 HG21 THR 66 1HG2 THR 66 -8.734 -0.308 5.264 510 HG22 THR 66 2HG2 THR 66 -8.937 1.369 4.748 511 HG23 THR 66 3HG2 THR 66 -9.174 0.929 6.441 512 H VAL 67 H VAL 67 -5.581 3.225 4.698 513 HA VAL 67 HA VAL 67 -2.751 3.131 4.529 514 HB VAL 67 HB VAL 67 -4.061 5.184 4.012 515 HG11 VAL 67 1HG1 VAL 67 -4.353 5.564 7.013 516 HG12 VAL 67 2HG1 VAL 67 -5.656 5.256 5.864 517 HG13 VAL 67 3HG1 VAL 67 -4.750 6.768 5.784 518 HG21 VAL 67 1HG2 VAL 67 -1.842 5.623 6.038 519 HG22 VAL 67 2HG2 VAL 67 -2.408 6.810 4.858 520 HG23 VAL 67 3HG2 VAL 67 -1.632 5.323 4.310 521 H GLN 68 H GLN 68 -4.922 3.279 7.316 522 HA GLN 68 HA GLN 68 -2.967 3.697 9.320 523 HB2 GLN 68 2HB GLN 68 -4.805 2.947 10.891 524 HB3 GLN 68 1HB GLN 68 -5.270 4.246 9.796 525 HG2 GLN 68 2HG GLN 68 -6.396 2.581 8.335 526 HG3 GLN 68 1HG GLN 68 -5.978 1.312 9.486 527 HE21 GLN 68 1HE2 GLN 68 -8.165 0.816 9.790 528 HE22 GLN 68 2HE2 GLN 68 -9.224 1.837 10.694 529 H SER 69 H SER 69 -4.228 0.808 7.762 530 HA SER 69 HA SER 69 -3.019 -1.082 9.554 531 HB2 SER 69 2HB SER 69 -5.037 -1.618 8.162 532 HB3 SER 69 1HB SER 69 -4.041 -1.512 6.712 533 HG SER 69 HG SER 69 -2.747 -3.226 7.683 534 H MET 70 H MET 70 -2.131 0.400 6.413 535 HA MET 70 HA MET 70 0.094 -1.389 5.966 536 HB2 MET 70 2HB MET 70 0.440 -0.270 3.872 537 HB3 MET 70 1HB MET 70 -1.299 -0.416 4.095 538 HG2 MET 70 2HG MET 70 -1.431 1.937 4.723 539 HG3 MET 70 1HG MET 70 0.316 2.096 4.581 540 HE1 MET 70 1HE MET 70 -2.530 1.417 0.989 541 HE2 MET 70 2HE MET 70 -3.073 1.581 2.660 542 HE3 MET 70 3HE MET 70 -2.199 0.134 2.153 543 H VAL 71 H VAL 71 -0.272 1.924 7.159 544 HA VAL 71 HA VAL 71 2.500 2.591 7.091 545 HB VAL 71 HB VAL 71 0.640 4.303 7.155 546 HG11 VAL 71 1HG1 VAL 71 -0.313 5.047 9.294 547 HG12 VAL 71 2HG1 VAL 71 0.503 3.722 10.125 548 HG13 VAL 71 3HG1 VAL 71 -0.760 3.373 8.948 549 HG21 VAL 71 1HG2 VAL 71 2.989 4.954 7.489 550 HG22 VAL 71 2HG2 VAL 71 2.840 4.656 9.223 551 HG23 VAL 71 3HG2 VAL 71 1.923 5.964 8.470 552 H ALA 72 H ALA 72 0.304 1.279 9.510 553 HA ALA 72 HA ALA 72 2.169 1.321 11.694 554 HB1 ALA 72 1HB ALA 72 -0.487 -0.121 11.429 555 HB2 ALA 72 2HB ALA 72 -0.251 1.510 12.063 556 HB3 ALA 72 3HB ALA 72 0.418 0.120 12.924 557 H LEU 73 H LEU 73 1.201 -0.996 9.222 558 HA LEU 73 HA LEU 73 2.317 -3.391 10.110 559 HB2 LEU 73 2HB LEU 73 1.202 -3.772 8.117 560 HB3 LEU 73 1HB LEU 73 1.517 -2.156 7.530 561 HG LEU 73 HG LEU 73 3.917 -3.034 7.016 562 HD11 LEU 73 1HD1 LEU 73 4.100 -5.414 6.468 563 HD12 LEU 73 2HD1 LEU 73 2.506 -5.704 7.172 564 HD13 LEU 73 3HD1 LEU 73 3.836 -5.141 8.189 565 HD21 LEU 73 1HD2 LEU 73 1.573 -3.921 5.327 566 HD22 LEU 73 2HD2 LEU 73 3.243 -3.750 4.781 567 HD23 LEU 73 3HD2 LEU 73 2.344 -2.333 5.318 568 H VAL 74 H VAL 74 3.732 -0.712 8.264 569 HA VAL 74 HA VAL 74 6.345 -1.752 8.052 570 HB VAL 74 HB VAL 74 5.475 1.174 7.939 571 HG11 VAL 74 1HG1 VAL 74 8.041 -0.139 6.942 572 HG12 VAL 74 2HG1 VAL 74 7.904 0.982 8.298 573 HG13 VAL 74 3HG1 VAL 74 7.578 1.542 6.658 574 HG21 VAL 74 1HG2 VAL 74 5.430 0.885 5.473 575 HG22 VAL 74 2HG2 VAL 74 4.288 -0.207 6.258 576 HG23 VAL 74 3HG2 VAL 74 5.827 -0.826 5.659 577 H GLN 75 H GLN 75 4.836 0.477 10.409 578 HA GLN 75 HA GLN 75 7.166 1.126 11.884 579 HB2 GLN 75 2HB GLN 75 4.272 1.068 12.856 580 HB3 GLN 75 1HB GLN 75 5.604 1.894 13.664 581 HG2 GLN 75 2HG GLN 75 5.862 3.350 11.648 582 HG3 GLN 75 1HG GLN 75 4.456 2.556 10.941 583 HE21 GLN 75 1HE2 GLN 75 3.337 4.530 10.815 584 HE22 GLN 75 2HE2 GLN 75 2.694 5.317 12.210 585 H ARG 76 H ARG 76 5.021 -1.678 12.071 586 HA ARG 76 HA ARG 76 5.928 -2.681 14.606 587 HB2 ARG 76 2HB ARG 76 4.526 -4.085 12.288 588 HB3 ARG 76 1HB ARG 76 4.866 -4.854 13.835 589 HG2 ARG 76 2HG ARG 76 3.420 -3.203 14.971 590 HG3 ARG 76 1HG ARG 76 3.072 -2.443 13.418 591 HD2 ARG 76 2HD ARG 76 1.221 -3.888 14.007 592 HD3 ARG 76 1HD ARG 76 2.076 -4.612 12.639 593 HE ARG 76 HE ARG 76 2.626 -5.499 15.410 594 HH11 ARG 76 1HH1 ARG 76 1.558 -6.335 12.174 595 HH12 ARG 76 2HH1 ARG 76 1.544 -8.038 12.497 596 HH21 ARG 76 1HH2 ARG 76 2.570 -7.727 15.822 597 HH22 ARG 76 2HH2 ARG 76 2.114 -8.827 14.560 598 H LEU 77 H LEU 77 6.635 -3.575 11.195 599 HA LEU 77 HA LEU 77 8.596 -5.531 11.886 600 HB2 LEU 77 2HB LEU 77 9.090 -5.651 9.448 601 HB3 LEU 77 1HB LEU 77 7.398 -5.843 9.848 602 HG LEU 77 HG LEU 77 7.108 -3.373 9.169 603 HD11 LEU 77 1HD1 LEU 77 9.371 -2.569 9.118 604 HD12 LEU 77 2HD1 LEU 77 8.702 -2.484 7.488 605 HD13 LEU 77 3HD1 LEU 77 9.833 -3.775 7.905 606 HD21 LEU 77 1HD2 LEU 77 7.793 -5.425 7.056 607 HD22 LEU 77 2HD2 LEU 77 6.865 -3.945 6.795 608 HD23 LEU 77 3HD2 LEU 77 6.234 -5.199 7.857 609 H LYS 78 H LYS 78 8.783 -2.101 11.480 610 HA LYS 78 HA LYS 78 11.487 -1.664 10.889 611 HB2 LYS 78 2HB LYS 78 9.484 -0.109 12.549 612 HB3 LYS 78 1HB LYS 78 11.129 0.468 12.377 613 HG2 LYS 78 2HG LYS 78 9.176 0.040 10.101 614 HG3 LYS 78 1HG LYS 78 9.534 1.590 10.850 615 HD2 LYS 78 2HD LYS 78 11.624 -0.113 9.448 616 HD3 LYS 78 1HD LYS 78 10.673 1.118 8.623 617 HE2 LYS 78 2HE LYS 78 12.744 2.153 9.142 618 HE3 LYS 78 1HE LYS 78 11.606 2.787 10.328 619 HZ1 LYS 78 1HZ LYS 78 12.503 1.296 11.965 620 HZ2 LYS 78 2HZ LYS 78 13.758 2.185 11.273 621 HZ3 LYS 78 3HZ LYS 78 13.524 0.575 10.824 622 H ALA 79 H ALA 79 9.951 -2.703 13.853 623 HA ALA 79 HA ALA 79 12.314 -2.333 15.529 624 HB1 ALA 79 1HB ALA 79 10.824 -3.065 17.360 625 HB2 ALA 79 2HB ALA 79 9.554 -3.422 16.186 626 HB3 ALA 79 3HB ALA 79 10.093 -1.759 16.420 627 H HIS 80 H HIS 80 11.268 -4.696 13.392 628 HA HIS 80 HA HIS 80 12.171 -7.030 14.932 629 HB2 HIS 80 2HB HIS 80 10.045 -6.912 13.357 630 HB3 HIS 80 1HB HIS 80 11.197 -7.088 12.038 631 HD1 HIS 80 HD1 HIS 80 9.936 -8.924 15.111 632 HD2 HIS 80 HD2 HIS 80 11.985 -9.742 11.580 633 HE1 HIS 80 HE1 HIS 80 10.170 -11.420 15.020 634 HE2 HIS 80 HE2 HIS 80 11.362 -11.889 12.858 635 HA PRO 81 HA PRO 81 16.314 -6.397 13.973 636 HB2 PRO 81 2HB PRO 81 17.428 -8.932 13.928 637 HB3 PRO 81 1HB PRO 81 16.785 -8.179 15.404 638 HG2 PRO 81 2HG PRO 81 15.437 -10.139 13.561 639 HG3 PRO 81 1HG PRO 81 15.533 -10.153 15.339 640 HD2 PRO 81 2HD PRO 81 13.340 -9.245 14.066 641 HD3 PRO 81 1HD PRO 81 13.901 -8.481 15.570 642 H GLU 82 H GLU 82 14.982 -8.785 11.672 643 HA GLU 82 HA GLU 82 17.304 -8.578 9.910 644 HB2 GLU 82 2HB GLU 82 16.146 -10.369 8.595 645 HB3 GLU 82 1HB GLU 82 16.458 -10.799 10.272 646 HG2 GLU 82 2HG GLU 82 14.132 -10.438 10.858 647 HG3 GLU 82 1HG GLU 82 13.782 -9.824 9.245 648 H GLN 83 H GLN 83 14.459 -6.852 10.276 649 HA GLN 83 HA GLN 83 14.004 -6.225 7.463 650 HB2 GLN 83 2HB GLN 83 12.667 -5.330 10.046 651 HB3 GLN 83 1HB GLN 83 12.303 -4.566 8.502 652 HG2 GLN 83 2HG GLN 83 10.628 -6.240 9.102 653 HG3 GLN 83 1HG GLN 83 11.463 -6.681 7.615 654 HE21 GLN 83 1HE2 GLN 83 10.972 -8.860 7.773 655 HE22 GLN 83 2HE2 GLN 83 11.633 -9.886 8.996 656 H GLY 84 H GLY 84 15.295 -4.876 6.510 657 HA2 GLY 84 2HA GLY 84 15.861 -2.232 7.070 658 HA3 GLY 84 1HA GLY 84 17.185 -3.145 7.804 659 H GLY 85 H GLY 85 17.725 -5.118 6.243 660 HA2 GLY 85 2HA GLY 85 17.539 -4.706 3.413 661 HA3 GLY 85 1HA GLY 85 19.159 -4.387 4.039 662 H ALA 86 H ALA 86 19.726 -6.240 2.643 663 HA ALA 86 HA ALA 86 20.655 -8.279 2.473 664 HB1 ALA 86 1HB ALA 86 19.595 -8.930 5.241 665 HB2 ALA 86 2HB ALA 86 21.158 -8.182 4.901 666 HB3 ALA 86 3HB ALA 86 20.827 -9.828 4.353 667 H ALA 87 H ALA 87 17.487 -8.806 4.127 668 HA ALA 87 HA ALA 87 16.821 -11.168 2.654 669 HB1 ALA 87 1HB ALA 87 14.689 -11.061 3.860 670 HB2 ALA 87 2HB ALA 87 15.041 -9.412 4.383 671 HB3 ALA 87 3HB ALA 87 16.031 -10.750 4.965 672 H LEU 88 H LEU 88 17.130 -10.282 0.490 673 HA LEU 88 HA LEU 88 14.514 -9.566 -0.644 674 HB2 LEU 88 2HB LEU 88 17.179 -8.421 -1.621 675 HB3 LEU 88 1HB LEU 88 15.683 -8.344 -2.525 676 HG LEU 88 HG LEU 88 14.799 -7.054 -0.361 677 HD11 LEU 88 1HD1 LEU 88 16.770 -7.350 1.026 678 HD12 LEU 88 2HD1 LEU 88 16.498 -5.643 0.698 679 HD13 LEU 88 3HD1 LEU 88 17.772 -6.511 -0.161 680 HD21 LEU 88 1HD2 LEU 88 15.353 -4.916 -1.412 681 HD22 LEU 88 2HD2 LEU 88 14.855 -6.102 -2.616 682 HD23 LEU 88 3HD2 LEU 88 16.565 -5.703 -2.427 683 H GLU 89 H GLU 89 14.361 -11.892 -0.812 684 HA GLU 89 HA GLU 89 16.250 -13.267 -2.599 685 HB2 GLU 89 2HB GLU 89 15.578 -14.318 -0.406 686 HB3 GLU 89 1HB GLU 89 13.920 -14.404 -0.994 687 HG2 GLU 89 2HG GLU 89 14.672 -15.881 -2.846 688 HG3 GLU 89 1HG GLU 89 16.312 -15.829 -2.201 689 H282 PNS 101 3H28 PNS 136 0.295 -10.048 -3.280 690 H281 PNS 101 2H28 PNS 136 0.724 -8.745 -4.371 691 H303 PNS 101 3H51 PNS 136 1.697 -7.594 -2.522 692 H302 PNS 101 2H51 PNS 136 1.245 -8.929 -1.469 693 H301 PNS 101 1H51 PNS 136 2.909 -8.354 -1.502 694 H313 PNS 101 3H52 PNS 136 4.345 -8.728 -3.623 695 H312 PNS 101 2H52 PNS 136 3.059 -7.914 -4.509 696 H311 PNS 101 1H52 PNS 136 3.594 -9.528 -5.010 697 H32 PNS 101 H32 PNS 136 3.787 -10.537 -1.976 698 H33 PNS 101 H33 PNS 136 1.269 -11.782 -2.229 699 H36 PNS 101 H36 PNS 136 5.115 -11.087 -3.721 700 H372 PNS 101 3H37 PNS 136 6.220 -12.426 -5.104 701 H371 PNS 101 2H37 PNS 136 5.309 -13.754 -4.395 702 H382 PNS 101 3H38 PNS 136 5.033 -13.841 -6.785 703 H381 PNS 101 2H38 PNS 136 3.509 -13.354 -6.060 704 H41 PNS 101 H41 PNS 136 2.605 -11.365 -6.583 705 H422 PNS 101 3H42 PNS 136 2.095 -9.505 -7.781 706 H421 PNS 101 2H42 PNS 136 3.033 -10.222 -9.085 707 H431 PNS 101 2H43 PNS 136 4.133 -8.453 -6.876 708 H432 PNS 101 3H43 PNS 136 5.083 -9.189 -8.177 709 H44 PNS 101 H44 PNS 136 2.538 -6.940 -8.617 Start of MODEL 10 1 H1 MET 1 1H MET 1 0.315 13.189 2.958 2 H2 MET 1 2H MET 1 0.204 14.857 2.730 3 H3 MET 1 3H MET 1 1.711 14.097 2.664 4 HA MET 1 HA MET 1 -0.546 13.673 0.793 5 HB2 MET 1 2HB MET 1 0.717 14.877 -0.893 6 HB3 MET 1 1HB MET 1 0.594 15.897 0.534 7 HG2 MET 1 2HG MET 1 2.893 15.349 1.156 8 HG3 MET 1 1HG MET 1 3.028 14.261 -0.229 9 HE1 MET 1 1HE MET 1 5.323 17.244 -1.362 10 HE2 MET 1 2HE MET 1 5.214 15.494 -1.170 11 HE3 MET 1 3HE MET 1 5.189 16.546 0.252 12 H LEU 2 H LEU 2 2.034 12.210 2.306 13 HA LEU 2 HA LEU 2 3.390 10.714 0.365 14 HB2 LEU 2 2HB LEU 2 3.959 10.923 2.823 15 HB3 LEU 2 1HB LEU 2 2.618 9.852 3.188 16 HG LEU 2 HG LEU 2 3.772 8.057 1.802 17 HD11 LEU 2 1HD1 LEU 2 6.140 8.328 1.264 18 HD12 LEU 2 2HD1 LEU 2 6.100 9.997 1.827 19 HD13 LEU 2 3HD1 LEU 2 5.155 9.516 0.415 20 HD21 LEU 2 1HD2 LEU 2 3.904 8.027 4.263 21 HD22 LEU 2 2HD2 LEU 2 5.340 9.053 4.212 22 HD23 LEU 2 3HD2 LEU 2 5.392 7.427 3.530 23 H GLU 3 H GLU 3 0.283 10.365 1.759 24 HA GLU 3 HA GLU 3 -0.305 7.657 1.055 25 HB2 GLU 3 2HB GLU 3 -2.277 9.873 1.778 26 HB3 GLU 3 1HB GLU 3 -2.525 8.139 1.911 27 HG2 GLU 3 2HG GLU 3 -2.177 8.815 4.134 28 HG3 GLU 3 1HG GLU 3 -0.618 8.169 3.653 29 H SER 4 H SER 4 -1.308 10.878 -0.179 30 HA SER 4 HA SER 4 -2.821 9.915 -2.389 31 HB2 SER 4 2HB SER 4 -2.660 12.300 -3.198 32 HB3 SER 4 1HB SER 4 -3.202 12.167 -1.526 33 HG SER 4 HG SER 4 -1.112 13.493 -2.490 34 H LYS 5 H LYS 5 0.588 10.292 -1.886 35 HA LYS 5 HA LYS 5 1.500 10.232 -4.597 36 HB2 LYS 5 2HB LYS 5 2.809 9.518 -1.944 37 HB3 LYS 5 1HB LYS 5 3.676 9.443 -3.471 38 HG2 LYS 5 2HG LYS 5 2.342 12.008 -2.580 39 HG3 LYS 5 1HG LYS 5 3.934 11.558 -1.970 40 HD2 LYS 5 2HD LYS 5 3.222 11.901 -4.919 41 HD3 LYS 5 1HD LYS 5 4.071 13.093 -3.928 42 HE2 LYS 5 2HE LYS 5 5.896 11.410 -3.552 43 HE3 LYS 5 1HE LYS 5 5.066 10.305 -4.648 44 HZ1 LYS 5 1HZ LYS 5 6.202 12.956 -5.316 45 HZ2 LYS 5 2HZ LYS 5 5.319 11.995 -6.390 46 HZ3 LYS 5 3HZ LYS 5 6.799 11.445 -5.783 47 H LEU 6 H LEU 6 1.205 7.658 -2.053 48 HA LEU 6 HA LEU 6 2.063 5.548 -3.778 49 HB2 LEU 6 2HB LEU 6 1.367 3.971 -2.002 50 HB3 LEU 6 1HB LEU 6 2.388 5.265 -1.422 51 HG LEU 6 HG LEU 6 0.076 6.365 -0.707 52 HD11 LEU 6 1HD1 LEU 6 -1.410 4.696 -1.676 53 HD12 LEU 6 2HD1 LEU 6 -1.598 4.750 0.074 54 HD13 LEU 6 3HD1 LEU 6 -0.693 3.431 -0.675 55 HD21 LEU 6 1HD2 LEU 6 0.325 5.472 1.539 56 HD22 LEU 6 2HD2 LEU 6 1.905 5.801 0.828 57 HD23 LEU 6 3HD2 LEU 6 1.319 4.138 0.930 58 H ILE 7 H ILE 7 -1.106 6.887 -2.979 59 HA ILE 7 HA ILE 7 -2.752 5.058 -4.372 60 HB ILE 7 HB ILE 7 -3.145 8.066 -4.021 61 HG12 ILE 7 2HG1 ILE 7 -3.060 6.882 -1.849 62 HG13 ILE 7 1HG1 ILE 7 -4.677 7.491 -2.162 63 HG21 ILE 7 1HG2 ILE 7 -5.156 5.971 -4.946 64 HG22 ILE 7 2HG2 ILE 7 -4.514 7.311 -5.896 65 HG23 ILE 7 3HG2 ILE 7 -5.566 7.634 -4.519 66 HD11 ILE 7 1HD1 ILE 7 -4.709 5.306 -1.144 67 HD12 ILE 7 2HD1 ILE 7 -3.777 4.637 -2.489 68 HD13 ILE 7 3HD1 ILE 7 -5.412 5.258 -2.760 69 H ASN 8 H ASN 8 -1.488 8.217 -5.438 70 HA ASN 8 HA ASN 8 -2.359 8.324 -8.059 71 HB2 ASN 8 2HB ASN 8 -1.247 10.191 -6.804 72 HB3 ASN 8 1HB ASN 8 0.308 9.404 -7.016 73 HD21 ASN 8 1HD2 ASN 8 1.256 9.393 -9.130 74 HD22 ASN 8 2HD2 ASN 8 0.703 10.458 -10.372 75 H HIS 9 H HIS 9 0.464 6.740 -6.779 76 HA HIS 9 HA HIS 9 1.988 6.197 -9.008 77 HB2 HIS 9 2HB HIS 9 2.648 5.855 -6.635 78 HB3 HIS 9 1HB HIS 9 1.591 4.456 -6.543 79 HD1 HIS 9 HD1 HIS 9 4.933 5.570 -7.740 80 HD2 HIS 9 HD2 HIS 9 2.576 2.160 -7.927 81 HE1 HIS 9 HE1 HIS 9 6.458 3.737 -8.529 82 HE2 HIS 9 HE2 HIS 9 4.984 1.718 -8.731 83 H ILE 10 H ILE 10 -0.305 3.858 -7.490 84 HA ILE 10 HA ILE 10 -0.310 2.224 -9.896 85 HB ILE 10 HB ILE 10 -1.918 0.744 -8.551 86 HG12 ILE 10 2HG1 ILE 10 -1.546 1.033 -5.964 87 HG13 ILE 10 1HG1 ILE 10 -1.121 2.691 -6.344 88 HG21 ILE 10 1HG2 ILE 10 -0.091 -0.331 -7.298 89 HG22 ILE 10 2HG2 ILE 10 0.916 1.099 -7.537 90 HG23 ILE 10 3HG2 ILE 10 0.399 0.138 -8.926 91 HD11 ILE 10 1HD1 ILE 10 -3.754 1.362 -6.901 92 HD12 ILE 10 2HD1 ILE 10 -3.333 3.036 -7.269 93 HD13 ILE 10 3HD1 ILE 10 -3.392 2.490 -5.593 94 H ALA 11 H ALA 11 -2.403 4.614 -8.473 95 HA ALA 11 HA ALA 11 -4.885 4.134 -9.617 96 HB1 ALA 11 1HB ALA 11 -5.290 6.559 -9.425 97 HB2 ALA 11 2HB ALA 11 -3.559 6.843 -9.217 98 HB3 ALA 11 3HB ALA 11 -4.456 5.947 -7.991 99 H THR 12 H THR 12 -1.915 5.139 -11.130 100 HA THR 12 HA THR 12 -2.779 6.237 -13.556 101 HB THR 12 HB THR 12 -0.298 4.543 -13.040 102 HG1 THR 12 HG1 THR 12 0.059 6.211 -11.763 103 HG21 THR 12 1HG2 THR 12 -0.713 4.812 -15.463 104 HG22 THR 12 2HG2 THR 12 0.696 5.745 -14.951 105 HG23 THR 12 3HG2 THR 12 -0.838 6.561 -15.247 106 H GLN 13 H GLN 13 -2.022 2.858 -12.693 107 HA GLN 13 HA GLN 13 -2.963 1.866 -15.319 108 HB2 GLN 13 2HB GLN 13 -1.948 -0.316 -14.582 109 HB3 GLN 13 1HB GLN 13 -0.797 0.996 -14.714 110 HG2 GLN 13 2HG GLN 13 -1.948 0.462 -11.993 111 HG3 GLN 13 1HG GLN 13 -0.824 -0.726 -12.639 112 HE21 GLN 13 1HE2 GLN 13 0.709 -0.259 -11.023 113 HE22 GLN 13 2HE2 GLN 13 1.624 1.208 -11.020 114 H PHE 14 H PHE 14 -4.069 2.183 -12.119 115 HA PHE 14 HA PHE 14 -5.875 -0.121 -12.231 116 HB2 PHE 14 2HB PHE 14 -4.668 1.511 -10.018 117 HB3 PHE 14 1HB PHE 14 -6.324 0.964 -9.730 118 HD1 PHE 14 HD1 PHE 14 -5.621 -0.480 -7.867 119 HD2 PHE 14 HD2 PHE 14 -3.982 -1.058 -11.786 120 HE1 PHE 14 HE1 PHE 14 -4.829 -2.703 -7.245 121 HE2 PHE 14 HE2 PHE 14 -3.210 -3.276 -11.132 122 HZ PHE 14 HZ PHE 14 -3.634 -4.110 -8.863 123 H LEU 15 H LEU 15 -5.962 3.386 -12.291 124 HA LEU 15 HA LEU 15 -8.938 3.317 -12.443 125 HB2 LEU 15 2HB LEU 15 -7.301 5.510 -11.123 126 HB3 LEU 15 1HB LEU 15 -9.049 5.332 -11.115 127 HG LEU 15 HG LEU 15 -7.049 3.572 -9.622 128 HD11 LEU 15 1HD1 LEU 15 -9.030 5.626 -8.586 129 HD12 LEU 15 2HD1 LEU 15 -7.272 5.786 -8.659 130 HD13 LEU 15 3HD1 LEU 15 -7.996 4.576 -7.613 131 HD21 LEU 15 1HD2 LEU 15 -9.017 2.502 -8.566 132 HD22 LEU 15 2HD2 LEU 15 -8.973 2.209 -10.299 133 HD23 LEU 15 3HD2 LEU 15 -10.101 3.397 -9.641 134 H ASP 16 H ASP 16 -6.559 3.609 -14.459 135 HA ASP 16 HA ASP 16 -6.284 4.564 -16.514 136 HB2 ASP 16 2HB ASP 16 -8.856 4.508 -16.555 137 HB3 ASP 16 1HB ASP 16 -8.843 6.149 -15.974 138 H GLY 17 H GLY 17 -5.371 5.825 -13.910 139 HA2 GLY 17 2HA GLY 17 -3.906 7.563 -13.480 140 HA3 GLY 17 1HA GLY 17 -4.361 8.344 -14.981 141 H GLU 18 H GLU 18 -7.061 7.444 -13.092 142 HA GLU 18 HA GLU 18 -7.464 10.247 -12.240 143 HB2 GLU 18 2HB GLU 18 -9.737 9.962 -12.618 144 HB3 GLU 18 1HB GLU 18 -9.159 8.706 -13.716 145 HG2 GLU 18 2HG GLU 18 -9.526 7.040 -11.836 146 HG3 GLU 18 1HG GLU 18 -10.296 8.333 -10.923 147 H LYS 19 H LYS 19 -7.777 10.759 -10.125 148 HA LYS 19 HA LYS 19 -7.569 8.617 -8.095 149 HB2 LYS 19 2HB LYS 19 -6.938 11.575 -7.874 150 HB3 LYS 19 1HB LYS 19 -6.851 10.405 -6.546 151 HG2 LYS 19 2HG LYS 19 -5.227 9.063 -7.975 152 HG3 LYS 19 1HG LYS 19 -5.182 10.433 -9.080 153 HD2 LYS 19 2HD LYS 19 -4.498 10.653 -6.137 154 HD3 LYS 19 1HD LYS 19 -3.300 10.316 -7.388 155 HE2 LYS 19 2HE LYS 19 -5.011 12.819 -7.155 156 HE3 LYS 19 1HE LYS 19 -3.269 12.699 -6.890 157 HZ1 LYS 19 1HZ LYS 19 -3.039 12.058 -9.243 158 HZ2 LYS 19 2HZ LYS 19 -3.711 13.599 -9.058 159 HZ3 LYS 19 3HZ LYS 19 -4.698 12.292 -9.460 160 H ASP 20 H ASP 20 -9.522 8.004 -7.556 161 HA ASP 20 HA ASP 20 -11.518 9.757 -6.499 162 HB2 ASP 20 2HB ASP 20 -11.875 10.276 -8.873 163 HB3 ASP 20 1HB ASP 20 -11.981 8.563 -9.271 164 H GLY 21 H GLY 21 -11.963 8.499 -4.785 165 HA2 GLY 21 2HA GLY 21 -13.297 6.859 -3.760 166 HA3 GLY 21 1HA GLY 21 -13.218 5.869 -5.208 167 H LEU 22 H LEU 22 -10.216 6.436 -5.196 168 HA LEU 22 HA LEU 22 -9.378 4.420 -3.198 169 HB2 LEU 22 2HB LEU 22 -8.948 3.900 -5.613 170 HB3 LEU 22 1HB LEU 22 -8.025 5.378 -5.751 171 HG LEU 22 HG LEU 22 -6.261 4.501 -4.312 172 HD11 LEU 22 1HD1 LEU 22 -7.964 2.018 -3.956 173 HD12 LEU 22 2HD1 LEU 22 -7.575 3.207 -2.713 174 HD13 LEU 22 3HD1 LEU 22 -6.299 2.212 -3.406 175 HD21 LEU 22 1HD2 LEU 22 -6.092 3.953 -6.674 176 HD22 LEU 22 2HD2 LEU 22 -7.079 2.505 -6.454 177 HD23 LEU 22 3HD2 LEU 22 -5.483 2.608 -5.712 178 H ASP 23 H ASP 23 -8.665 5.406 -1.443 179 HA ASP 23 HA ASP 23 -6.733 7.607 -1.510 180 HB2 ASP 23 2HB ASP 23 -9.436 7.727 -0.105 181 HB3 ASP 23 1HB ASP 23 -8.092 8.754 0.369 182 H SER 24 H SER 24 -6.375 8.201 1.004 183 HA SER 24 HA SER 24 -5.015 6.004 2.149 184 HB2 SER 24 2HB SER 24 -4.549 7.633 3.999 185 HB3 SER 24 1HB SER 24 -4.228 8.287 2.395 186 HG SER 24 HG SER 24 -6.042 9.089 4.272 187 H GLN 25 H GLN 25 -8.000 7.679 2.997 188 HA GLN 25 HA GLN 25 -8.506 6.111 5.378 189 HB2 GLN 25 2HB GLN 25 -10.259 8.152 3.985 190 HB3 GLN 25 1HB GLN 25 -10.547 7.462 5.577 191 HG2 GLN 25 2HG GLN 25 -8.365 9.376 4.734 192 HG3 GLN 25 1HG GLN 25 -9.617 9.611 5.941 193 HE21 GLN 25 1HE2 GLN 25 -9.386 8.599 7.991 194 HE22 GLN 25 2HE2 GLN 25 -7.843 8.060 8.557 195 H THR 26 H THR 26 -9.007 5.615 2.104 196 HA THR 26 HA THR 26 -11.550 4.405 2.027 197 HB THR 26 HB THR 26 -9.193 4.153 0.134 198 HG1 THR 26 HG1 THR 26 -11.026 5.504 -1.026 199 HG21 THR 26 1HG2 THR 26 -10.597 2.195 -0.233 200 HG22 THR 26 2HG2 THR 26 -10.908 3.348 -1.536 201 HG23 THR 26 3HG2 THR 26 -12.058 3.183 -0.198 202 HA PRO 27 HA PRO 27 -10.448 0.231 3.518 203 HB2 PRO 27 2HB PRO 27 -12.871 -0.925 3.153 204 HB3 PRO 27 1HB PRO 27 -12.596 0.243 4.467 205 HG2 PRO 27 2HG PRO 27 -13.915 0.684 1.804 206 HG3 PRO 27 1HG PRO 27 -14.400 1.278 3.401 207 HD2 PRO 27 2HD PRO 27 -13.013 2.799 1.577 208 HD3 PRO 27 1HD PRO 27 -12.944 3.066 3.329 209 H LEU 28 H LEU 28 -9.046 -0.552 2.004 210 HA LEU 28 HA LEU 28 -9.579 -0.628 -0.804 211 HB2 LEU 28 2HB LEU 28 -7.317 -2.007 0.700 212 HB3 LEU 28 1HB LEU 28 -7.343 -1.569 -1.001 213 HG LEU 28 HG LEU 28 -7.097 0.303 1.387 214 HD11 LEU 28 1HD1 LEU 28 -4.971 0.983 0.351 215 HD12 LEU 28 2HD1 LEU 28 -5.207 -0.217 -0.923 216 HD13 LEU 28 3HD1 LEU 28 -5.006 -0.733 0.752 217 HD21 LEU 28 1HD2 LEU 28 -7.035 2.201 -0.222 218 HD22 LEU 28 2HD2 LEU 28 -8.608 1.414 -0.142 219 HD23 LEU 28 3HD2 LEU 28 -7.536 1.098 -1.508 220 H PHE 29 H PHE 29 -9.997 -2.842 1.806 221 HA PHE 29 HA PHE 29 -10.347 -5.227 0.233 222 HB2 PHE 29 2HB PHE 29 -10.253 -4.529 3.118 223 HB3 PHE 29 1HB PHE 29 -11.429 -5.787 2.761 224 HD1 PHE 29 HD1 PHE 29 -8.277 -5.370 0.841 225 HD2 PHE 29 HD2 PHE 29 -10.250 -7.535 3.966 226 HE1 PHE 29 HE1 PHE 29 -6.508 -7.038 0.820 227 HE2 PHE 29 HE2 PHE 29 -8.455 -9.211 3.921 228 HZ PHE 29 HZ PHE 29 -6.586 -8.969 2.340 229 H GLU 30 H GLU 30 -12.538 -3.191 2.184 230 HA GLU 30 HA GLU 30 -14.863 -4.687 1.697 231 HB2 GLU 30 2HB GLU 30 -14.563 -1.755 2.452 232 HB3 GLU 30 1HB GLU 30 -16.086 -2.648 2.515 233 HG2 GLU 30 2HG GLU 30 -15.177 -4.165 4.197 234 HG3 GLU 30 1HG GLU 30 -13.600 -3.376 4.101 235 H LEU 31 H LEU 31 -13.442 -2.009 -0.100 236 HA LEU 31 HA LEU 31 -15.708 -1.904 -1.988 237 HB2 LEU 31 2HB LEU 31 -13.126 -0.304 -2.075 238 HB3 LEU 31 1HB LEU 31 -14.594 0.001 -2.992 239 HG LEU 31 HG LEU 31 -14.090 0.485 -0.040 240 HD11 LEU 31 1HD1 LEU 31 -14.711 2.789 -0.561 241 HD12 LEU 31 2HD1 LEU 31 -14.974 2.358 -2.253 242 HD13 LEU 31 3HD1 LEU 31 -13.356 2.248 -1.552 243 HD21 LEU 31 1HD2 LEU 31 -16.286 -0.550 -0.112 244 HD22 LEU 31 2HD2 LEU 31 -16.803 0.518 -1.422 245 HD23 LEU 31 3HD2 LEU 31 -16.474 1.180 0.182 246 H ASN 32 H ASN 32 -12.548 -3.272 -1.621 247 HA ASN 32 HA ASN 32 -11.195 -4.584 -2.864 248 HB2 ASN 32 2HB ASN 32 -13.355 -5.919 -3.014 249 HB3 ASN 32 1HB ASN 32 -13.684 -5.142 -4.554 250 HD21 ASN 32 1HD2 ASN 32 -12.542 -5.821 -6.388 251 HD22 ASN 32 2HD2 ASN 32 -11.556 -7.239 -6.398 252 H ILE 33 H ILE 33 -10.769 -2.013 -3.360 253 HA ILE 33 HA ILE 33 -10.985 -1.343 -6.180 254 HB ILE 33 HB ILE 33 -9.376 0.101 -4.017 255 HG12 ILE 33 2HG1 ILE 33 -11.813 0.065 -3.448 256 HG13 ILE 33 1HG1 ILE 33 -11.269 1.691 -3.844 257 HG21 ILE 33 1HG2 ILE 33 -9.459 2.045 -5.593 258 HG22 ILE 33 2HG2 ILE 33 -10.235 1.016 -6.797 259 HG23 ILE 33 3HG2 ILE 33 -8.589 0.666 -6.268 260 HD11 ILE 33 1HD1 ILE 33 -13.451 1.236 -4.788 261 HD12 ILE 33 2HD1 ILE 33 -12.815 -0.150 -5.674 262 HD13 ILE 33 3HD1 ILE 33 -12.267 1.482 -6.073 263 H VAL 34 H VAL 34 -8.302 -1.969 -3.902 264 HA VAL 34 HA VAL 34 -6.400 -2.119 -6.118 265 HB VAL 34 HB VAL 34 -5.899 -0.887 -3.947 266 HG11 VAL 34 1HG1 VAL 34 -5.433 -3.664 -2.792 267 HG12 VAL 34 2HG1 VAL 34 -6.732 -2.562 -2.330 268 HG13 VAL 34 3HG1 VAL 34 -5.052 -2.127 -2.003 269 HG21 VAL 34 1HG2 VAL 34 -3.499 -1.516 -3.888 270 HG22 VAL 34 2HG2 VAL 34 -4.109 -1.371 -5.539 271 HG23 VAL 34 3HG2 VAL 34 -3.867 -2.968 -4.828 272 H ASP 35 H ASP 35 -5.135 -3.927 -6.573 273 HA ASP 35 HA ASP 35 -6.190 -6.562 -5.786 274 HB2 ASP 35 2HB ASP 35 -4.625 -5.615 -8.233 275 HB3 ASP 35 1HB ASP 35 -4.848 -7.325 -7.864 276 H SER 36 H SER 36 -4.382 -8.279 -5.991 277 HA SER 36 HA SER 36 -2.579 -7.859 -3.849 278 HB2 SER 36 2HB SER 36 -2.087 -10.135 -4.056 279 HB3 SER 36 1HB SER 36 -3.710 -10.055 -4.743 280 H ALA 37 H ALA 37 -2.142 -7.954 -7.390 281 HA ALA 37 HA ALA 37 0.649 -8.012 -7.557 282 HB1 ALA 37 1HB ALA 37 -1.279 -6.768 -9.550 283 HB2 ALA 37 2HB ALA 37 -0.834 -8.471 -9.477 284 HB3 ALA 37 3HB ALA 37 0.387 -7.267 -9.885 285 H ALA 38 H ALA 38 -1.512 -5.269 -7.086 286 HA ALA 38 HA ALA 38 0.453 -3.224 -7.554 287 HB1 ALA 38 1HB ALA 38 -1.220 -1.685 -6.566 288 HB2 ALA 38 2HB ALA 38 -2.208 -3.080 -6.123 289 HB3 ALA 38 3HB ALA 38 -1.910 -2.712 -7.821 290 H ILE 39 H ILE 39 -0.471 -5.179 -4.788 291 HA ILE 39 HA ILE 39 0.518 -3.564 -2.682 292 HB ILE 39 HB ILE 39 0.518 -6.619 -2.762 293 HG12 ILE 39 2HG1 ILE 39 -1.731 -5.795 -3.293 294 HG13 ILE 39 1HG1 ILE 39 -1.721 -6.510 -1.689 295 HG21 ILE 39 1HG2 ILE 39 1.863 -5.713 -0.899 296 HG22 ILE 39 2HG2 ILE 39 0.406 -6.505 -0.294 297 HG23 ILE 39 3HG2 ILE 39 0.486 -4.744 -0.360 298 HD11 ILE 39 1HD1 ILE 39 -1.705 -4.276 -0.701 299 HD12 ILE 39 2HD1 ILE 39 -3.084 -4.520 -1.767 300 HD13 ILE 39 3HD1 ILE 39 -1.712 -3.559 -2.315 301 H PHE 40 H PHE 40 2.052 -6.048 -4.706 302 HA PHE 40 HA PHE 40 4.660 -6.034 -3.665 303 HB2 PHE 40 2HB PHE 40 3.790 -7.738 -5.239 304 HB3 PHE 40 1HB PHE 40 3.704 -6.540 -6.522 305 HD1 PHE 40 HD1 PHE 40 6.122 -8.295 -4.253 306 HD2 PHE 40 HD2 PHE 40 5.603 -6.191 -7.949 307 HE1 PHE 40 HE1 PHE 40 8.428 -8.845 -4.898 308 HE2 PHE 40 HE2 PHE 40 7.911 -6.747 -8.584 309 HZ PHE 40 HZ PHE 40 9.328 -8.076 -7.061 310 H ASP 41 H ASP 41 3.032 -3.792 -5.775 311 HA ASP 41 HA ASP 41 5.422 -2.301 -6.526 312 HB2 ASP 41 2HB ASP 41 3.482 -2.734 -8.089 313 HB3 ASP 41 1HB ASP 41 2.492 -1.692 -7.077 314 H LEU 42 H LEU 42 2.837 -2.106 -4.144 315 HA LEU 42 HA LEU 42 3.152 0.665 -3.428 316 HB2 LEU 42 2HB LEU 42 1.774 -1.634 -1.976 317 HB3 LEU 42 1HB LEU 42 1.754 0.021 -1.393 318 HG LEU 42 HG LEU 42 0.521 -0.914 -4.019 319 HD11 LEU 42 1HD1 LEU 42 -0.888 -0.156 -1.442 320 HD12 LEU 42 2HD1 LEU 42 -0.719 -1.790 -2.090 321 HD13 LEU 42 3HD1 LEU 42 -1.657 -0.590 -2.975 322 HD21 LEU 42 1HD2 LEU 42 0.398 1.822 -2.699 323 HD22 LEU 42 2HD2 LEU 42 -0.490 1.331 -4.144 324 HD23 LEU 42 3HD2 LEU 42 1.269 1.414 -4.180 325 H VAL 43 H VAL 43 4.457 -2.401 -2.292 326 HA VAL 43 HA VAL 43 5.442 -1.592 0.207 327 HB VAL 43 HB VAL 43 6.911 -3.563 0.179 328 HG11 VAL 43 1HG1 VAL 43 4.143 -4.148 -0.864 329 HG12 VAL 43 2HG1 VAL 43 4.640 -3.967 0.816 330 HG13 VAL 43 3HG1 VAL 43 5.212 -5.336 -0.126 331 HG21 VAL 43 1HG2 VAL 43 7.704 -3.505 -2.159 332 HG22 VAL 43 2HG2 VAL 43 6.103 -3.983 -2.718 333 HG23 VAL 43 3HG2 VAL 43 7.061 -5.099 -1.747 334 H ASP 44 H ASP 44 6.958 -1.444 -3.044 335 HA ASP 44 HA ASP 44 9.613 -0.914 -2.128 336 HB2 ASP 44 2HB ASP 44 8.343 -0.357 -4.842 337 HB3 ASP 44 1HB ASP 44 10.074 -0.251 -4.507 338 H PHE 45 H PHE 45 6.891 1.139 -2.913 339 HA PHE 45 HA PHE 45 8.212 3.633 -2.794 340 HB2 PHE 45 2HB PHE 45 5.968 3.349 -3.764 341 HB3 PHE 45 1HB PHE 45 5.316 2.898 -2.190 342 HD1 PHE 45 HD1 PHE 45 7.026 5.726 -3.982 343 HD2 PHE 45 HD2 PHE 45 4.446 4.593 -0.756 344 HE1 PHE 45 HE1 PHE 45 6.571 8.093 -3.505 345 HE2 PHE 45 HE2 PHE 45 3.988 6.958 -0.308 346 HZ PHE 45 HZ PHE 45 5.050 8.706 -1.668 347 H LEU 46 H LEU 46 6.333 1.823 -0.312 348 HA LEU 46 HA LEU 46 6.855 3.516 1.891 349 HB2 LEU 46 2HB LEU 46 6.296 0.528 1.880 350 HB3 LEU 46 1HB LEU 46 6.189 1.566 3.290 351 HG LEU 46 HG LEU 46 4.386 1.681 0.829 352 HD11 LEU 46 1HD1 LEU 46 3.893 -0.231 2.275 353 HD12 LEU 46 2HD1 LEU 46 2.590 0.952 2.315 354 HD13 LEU 46 3HD1 LEU 46 3.717 0.842 3.669 355 HD21 LEU 46 1HD2 LEU 46 4.718 3.956 1.671 356 HD22 LEU 46 2HD2 LEU 46 4.296 3.447 3.307 357 HD23 LEU 46 3HD2 LEU 46 3.080 3.409 2.028 358 H ARG 47 H ARG 47 8.790 0.979 0.457 359 HA ARG 47 HA ARG 47 10.657 0.565 2.577 360 HB2 ARG 47 2HB ARG 47 10.808 0.049 -0.421 361 HB3 ARG 47 1HB ARG 47 12.128 -0.361 0.668 362 HG2 ARG 47 2HG ARG 47 10.689 -1.949 1.854 363 HG3 ARG 47 1HG ARG 47 9.328 -1.518 0.815 364 HD2 ARG 47 2HD ARG 47 10.408 -3.620 0.086 365 HD3 ARG 47 1HD ARG 47 10.530 -2.364 -1.153 366 HE ARG 47 HE ARG 47 12.822 -2.449 0.591 367 HH11 ARG 47 1HH1 ARG 47 11.442 -3.882 -2.306 368 HH12 ARG 47 2HH1 ARG 47 12.980 -4.398 -2.920 369 HH21 ARG 47 1HH2 ARG 47 14.810 -3.152 -0.215 370 HH22 ARG 47 2HH2 ARG 47 14.891 -3.983 -1.729 371 H GLN 48 H GLN 48 10.474 2.664 -0.221 372 HA GLN 48 HA GLN 48 13.167 3.615 -0.203 373 HB2 GLN 48 2HB GLN 48 11.628 3.490 -2.213 374 HB3 GLN 48 1HB GLN 48 10.705 4.827 -1.535 375 HG2 GLN 48 2HG GLN 48 12.720 6.268 -1.695 376 HG3 GLN 48 1HG GLN 48 13.607 4.925 -2.411 377 HE21 GLN 48 1HE2 GLN 48 11.252 4.046 -4.042 378 HE22 GLN 48 2HE2 GLN 48 11.114 5.216 -5.306 379 H GLU 49 H GLU 49 10.125 4.684 1.182 380 HA GLU 49 HA GLU 49 11.031 7.300 2.002 381 HB2 GLU 49 2HB GLU 49 8.537 5.778 2.888 382 HB3 GLU 49 1HB GLU 49 8.831 7.509 3.081 383 HG2 GLU 49 2HG GLU 49 8.392 5.995 0.494 384 HG3 GLU 49 1HG GLU 49 7.304 7.161 1.234 385 H SER 50 H SER 50 10.260 4.236 3.630 386 HA SER 50 HA SER 50 11.098 5.197 6.255 387 HB2 SER 50 2HB SER 50 10.149 2.423 5.445 388 HB3 SER 50 1HB SER 50 10.222 3.082 7.085 389 HG SER 50 HG SER 50 8.441 3.635 5.001 390 H LYS 51 H LYS 51 12.722 3.858 3.645 391 HA LYS 51 HA LYS 51 14.813 3.142 3.242 392 HB2 LYS 51 2HB LYS 51 15.350 4.201 6.048 393 HB3 LYS 51 1HB LYS 51 16.599 3.802 4.874 394 HG2 LYS 51 2HG LYS 51 14.495 5.976 4.572 395 HG3 LYS 51 1HG LYS 51 16.200 6.228 4.965 396 HD2 LYS 51 2HD LYS 51 15.125 5.049 2.364 397 HD3 LYS 51 1HD LYS 51 15.730 6.691 2.580 398 HE2 LYS 51 2HE LYS 51 17.378 4.148 2.880 399 HE3 LYS 51 1HE LYS 51 17.419 5.249 1.503 400 HZ1 LYS 51 1HZ LYS 51 18.187 6.999 3.033 401 HZ2 LYS 51 2HZ LYS 51 19.253 5.691 2.941 402 HZ3 LYS 51 3HZ LYS 51 18.247 5.859 4.282 403 H VAL 52 H VAL 52 13.024 1.164 4.086 404 HA VAL 52 HA VAL 52 14.798 -0.789 5.455 405 HB VAL 52 HB VAL 52 13.185 0.104 7.129 406 HG11 VAL 52 1HG1 VAL 52 10.971 -0.976 5.334 407 HG12 VAL 52 2HG1 VAL 52 11.320 0.728 5.623 408 HG13 VAL 52 3HG1 VAL 52 10.748 -0.291 6.947 409 HG21 VAL 52 1HG2 VAL 52 13.954 -2.224 7.400 410 HG22 VAL 52 2HG2 VAL 52 12.626 -2.801 6.392 411 HG23 VAL 52 3HG2 VAL 52 12.284 -2.065 7.959 412 H SER 53 H SER 53 14.577 -2.920 4.725 413 HA SER 53 HA SER 53 13.152 -3.317 2.184 414 HB2 SER 53 2HB SER 53 14.496 -5.450 2.094 415 HB3 SER 53 1HB SER 53 15.507 -4.011 2.244 416 HG SER 53 HG SER 53 14.698 -5.598 4.453 417 H ILE 54 H ILE 54 11.467 -4.752 1.948 418 HA ILE 54 HA ILE 54 10.558 -6.331 4.287 419 HB ILE 54 HB ILE 54 8.988 -4.452 3.849 420 HG12 ILE 54 2HG1 ILE 54 7.835 -7.193 3.147 421 HG13 ILE 54 1HG1 ILE 54 8.026 -6.531 4.765 422 HG21 ILE 54 1HG2 ILE 54 8.537 -5.668 1.100 423 HG22 ILE 54 2HG2 ILE 54 9.395 -4.165 1.427 424 HG23 ILE 54 3HG2 ILE 54 7.675 -4.286 1.784 425 HD11 ILE 54 1HD1 ILE 54 6.344 -4.812 4.238 426 HD12 ILE 54 2HD1 ILE 54 5.719 -6.451 4.056 427 HD13 ILE 54 3HD1 ILE 54 6.153 -5.515 2.628 428 H GLY 55 H GLY 55 9.879 -8.445 3.866 429 HA2 GLY 55 2HA GLY 55 10.774 -9.635 1.332 430 HA3 GLY 55 1HA GLY 55 10.377 -10.492 2.815 431 H MET 56 H MET 56 9.481 -11.416 0.424 432 HA MET 56 HA MET 56 7.079 -10.252 -0.527 433 HB2 MET 56 2HB MET 56 8.903 -11.763 -1.713 434 HB3 MET 56 1HB MET 56 7.846 -13.081 -1.212 435 HG2 MET 56 2HG MET 56 5.978 -12.066 -2.387 436 HG3 MET 56 1HG MET 56 6.983 -10.668 -2.794 437 HE1 MET 56 1HE MET 56 5.387 -11.987 -5.070 438 HE2 MET 56 2HE MET 56 6.640 -12.060 -6.310 439 HE3 MET 56 3HE MET 56 6.551 -10.671 -5.224 440 H GLN 57 H GLN 57 7.649 -12.282 2.092 441 HA GLN 57 HA GLN 57 5.151 -13.734 2.146 442 HB2 GLN 57 2HB GLN 57 7.115 -13.306 4.437 443 HB3 GLN 57 1HB GLN 57 5.965 -14.630 4.248 444 HG2 GLN 57 2HG GLN 57 7.273 -15.623 2.487 445 HG3 GLN 57 1HG GLN 57 8.298 -14.193 2.348 446 HE21 GLN 57 1HE2 GLN 57 9.785 -13.739 4.043 447 HE22 GLN 57 2HE2 GLN 57 10.380 -15.002 5.063 448 H GLU 58 H GLU 58 6.574 -10.832 3.582 449 HA GLU 58 HA GLU 58 4.270 -10.257 5.284 450 HB2 GLU 58 2HB GLU 58 6.662 -8.435 4.804 451 HB3 GLU 58 1HB GLU 58 5.529 -8.398 6.145 452 HG2 GLU 58 2HG GLU 58 7.299 -9.397 7.212 453 HG3 GLU 58 1HG GLU 58 6.509 -10.844 6.597 454 H ILE 59 H ILE 59 5.413 -9.458 2.085 455 HA ILE 59 HA ILE 59 3.669 -7.262 1.533 456 HB ILE 59 HB ILE 59 4.582 -9.441 -0.422 457 HG12 ILE 59 2HG1 ILE 59 5.917 -6.788 0.295 458 HG13 ILE 59 1HG1 ILE 59 6.547 -8.397 0.616 459 HG21 ILE 59 1HG2 ILE 59 2.673 -8.097 -1.252 460 HG22 ILE 59 2HG2 ILE 59 4.133 -7.867 -2.213 461 HG23 ILE 59 3HG2 ILE 59 3.636 -6.626 -1.053 462 HD11 ILE 59 1HD1 ILE 59 6.767 -8.772 -1.804 463 HD12 ILE 59 2HD1 ILE 59 7.697 -7.389 -1.231 464 HD13 ILE 59 3HD1 ILE 59 6.181 -7.128 -2.090 465 H HIS 60 H HIS 60 1.565 -7.529 2.209 466 HA HIS 60 HA HIS 60 -0.055 -9.607 0.928 467 HB2 HIS 60 2HB HIS 60 0.381 -9.405 3.890 468 HB3 HIS 60 1HB HIS 60 -1.303 -9.568 3.406 469 HD1 HIS 60 HD1 HIS 60 1.993 -11.388 2.722 470 HD2 HIS 60 HD2 HIS 60 -2.080 -12.125 3.109 471 HE1 HIS 60 HE1 HIS 60 1.739 -13.872 2.506 472 HE2 HIS 60 HE2 HIS 60 -0.743 -14.284 2.634 473 HA PRO 61 HA PRO 61 -2.890 -6.078 0.540 474 HB2 PRO 61 2HB PRO 61 -5.170 -7.563 -0.127 475 HB3 PRO 61 1HB PRO 61 -3.934 -7.050 -1.295 476 HG2 PRO 61 2HG PRO 61 -4.286 -9.711 0.028 477 HG3 PRO 61 1HG PRO 61 -3.806 -9.331 -1.641 478 HD2 PRO 61 2HD PRO 61 -1.993 -10.078 0.248 479 HD3 PRO 61 1HD PRO 61 -1.581 -8.950 -1.055 480 H ALA 62 H ALA 62 -3.289 -8.924 2.569 481 HA ALA 62 HA ALA 62 -5.380 -8.143 4.262 482 HB1 ALA 62 1HB ALA 62 -4.440 -10.409 4.287 483 HB2 ALA 62 2HB ALA 62 -4.407 -9.715 5.909 484 HB3 ALA 62 3HB ALA 62 -2.925 -9.795 4.950 485 H ASN 63 H ASN 63 -1.904 -7.433 4.414 486 HA ASN 63 HA ASN 63 -2.043 -5.847 6.836 487 HB2 ASN 63 2HB ASN 63 0.206 -6.096 4.790 488 HB3 ASN 63 1HB ASN 63 0.352 -5.400 6.403 489 HD21 ASN 63 1HD2 ASN 63 1.885 -7.562 5.304 490 HD22 ASN 63 2HD2 ASN 63 1.600 -8.942 6.307 491 H PHE 64 H PHE 64 -2.097 -5.320 3.391 492 HA PHE 64 HA PHE 64 -2.076 -2.383 3.602 493 HB2 PHE 64 2HB PHE 64 -1.906 -4.300 1.232 494 HB3 PHE 64 1HB PHE 64 -2.013 -2.553 1.049 495 HD1 PHE 64 HD1 PHE 64 0.082 -5.070 2.902 496 HD2 PHE 64 HD2 PHE 64 0.033 -1.429 0.672 497 HE1 PHE 64 HE1 PHE 64 2.503 -4.976 3.009 498 HE2 PHE 64 HE2 PHE 64 2.487 -1.325 0.826 499 HZ PHE 64 HZ PHE 64 3.714 -3.114 1.997 500 H ALA 65 H ALA 65 -4.354 -4.094 4.534 501 HA ALA 65 HA ALA 65 -6.555 -4.118 2.768 502 HB1 ALA 65 1HB ALA 65 -7.929 -4.426 4.790 503 HB2 ALA 65 2HB ALA 65 -6.576 -3.914 5.804 504 HB3 ALA 65 3HB ALA 65 -6.462 -5.409 4.874 505 H THR 66 H THR 66 -5.178 -1.600 4.760 506 HA THR 66 HA THR 66 -6.614 0.452 3.267 507 HB THR 66 HB THR 66 -6.875 1.880 5.362 508 HG1 THR 66 HG1 THR 66 -6.542 -0.570 6.767 509 HG21 THR 66 1HG2 THR 66 -8.544 -0.661 5.445 510 HG22 THR 66 2HG2 THR 66 -8.889 0.761 4.457 511 HG23 THR 66 3HG2 THR 66 -8.952 0.874 6.218 512 H VAL 67 H VAL 67 -5.414 2.607 3.623 513 HA VAL 67 HA VAL 67 -2.576 2.187 3.417 514 HB VAL 67 HB VAL 67 -4.170 4.771 3.516 515 HG11 VAL 67 1HG1 VAL 67 -1.850 5.265 4.131 516 HG12 VAL 67 2HG1 VAL 67 -2.174 5.867 2.503 517 HG13 VAL 67 3HG1 VAL 67 -1.257 4.375 2.723 518 HG21 VAL 67 1HG2 VAL 67 -4.785 3.349 1.596 519 HG22 VAL 67 2HG2 VAL 67 -3.088 3.226 1.117 520 HG23 VAL 67 3HG2 VAL 67 -3.917 4.785 1.048 521 H GLN 68 H GLN 68 -4.731 3.273 5.963 522 HA GLN 68 HA GLN 68 -2.726 4.211 7.773 523 HB2 GLN 68 2HB GLN 68 -4.528 4.149 9.466 524 HB3 GLN 68 1HB GLN 68 -5.049 4.939 7.983 525 HG2 GLN 68 2HG GLN 68 -6.146 2.760 7.319 526 HG3 GLN 68 1HG GLN 68 -5.788 2.159 8.939 527 HE21 GLN 68 1HE2 GLN 68 -7.957 1.921 9.473 528 HE22 GLN 68 2HE2 GLN 68 -9.013 3.263 9.732 529 H SER 69 H SER 69 -4.185 1.022 7.171 530 HA SER 69 HA SER 69 -2.902 -0.374 9.306 531 HB2 SER 69 2HB SER 69 -4.014 -1.374 6.651 532 HB3 SER 69 1HB SER 69 -3.452 -2.432 7.949 533 HG SER 69 HG SER 69 -5.385 -2.238 8.698 534 H MET 70 H MET 70 -2.018 0.309 5.906 535 HA MET 70 HA MET 70 0.235 -1.487 5.853 536 HB2 MET 70 2HB MET 70 0.500 -0.928 3.595 537 HB3 MET 70 1HB MET 70 -1.228 -0.672 3.835 538 HG2 MET 70 2HG MET 70 -0.873 1.737 3.934 539 HG3 MET 70 1HG MET 70 0.870 1.522 3.822 540 HE1 MET 70 1HE MET 70 -2.030 0.546 0.328 541 HE2 MET 70 2HE MET 70 -2.577 1.345 1.802 542 HE3 MET 70 3HE MET 70 -2.040 -0.338 1.855 543 H VAL 71 H VAL 71 -0.216 1.931 6.558 544 HA VAL 71 HA VAL 71 2.505 2.769 6.435 545 HB VAL 71 HB VAL 71 0.175 4.147 6.646 546 HG11 VAL 71 1HG1 VAL 71 1.178 4.356 9.480 547 HG12 VAL 71 2HG1 VAL 71 -0.318 3.579 8.967 548 HG13 VAL 71 3HG1 VAL 71 -0.119 5.320 8.759 549 HG21 VAL 71 1HG2 VAL 71 2.301 5.127 5.897 550 HG22 VAL 71 2HG2 VAL 71 2.846 5.260 7.570 551 HG23 VAL 71 3HG2 VAL 71 1.479 6.225 7.009 552 H ALA 72 H ALA 72 0.477 1.358 8.849 553 HA ALA 72 HA ALA 72 2.234 1.829 11.097 554 HB1 ALA 72 1HB ALA 72 -0.222 2.066 11.234 555 HB2 ALA 72 2HB ALA 72 0.401 0.877 12.393 556 HB3 ALA 72 3HB ALA 72 -0.396 0.339 10.909 557 H LEU 73 H LEU 73 1.389 -0.763 8.917 558 HA LEU 73 HA LEU 73 2.499 -3.012 10.163 559 HB2 LEU 73 2HB LEU 73 1.286 -3.612 8.282 560 HB3 LEU 73 1HB LEU 73 1.722 -2.156 7.413 561 HG LEU 73 HG LEU 73 4.057 -3.273 7.130 562 HD11 LEU 73 1HD1 LEU 73 3.830 -5.121 8.660 563 HD12 LEU 73 2HD1 LEU 73 4.075 -5.721 7.018 564 HD13 LEU 73 3HD1 LEU 73 2.464 -5.766 7.745 565 HD21 LEU 73 1HD2 LEU 73 2.595 -2.798 5.299 566 HD22 LEU 73 2HD2 LEU 73 1.662 -4.262 5.602 567 HD23 LEU 73 3HD2 LEU 73 3.340 -4.380 5.068 568 H VAL 74 H VAL 74 3.872 -0.517 8.046 569 HA VAL 74 HA VAL 74 6.488 -1.517 7.840 570 HB VAL 74 HB VAL 74 5.589 1.401 7.708 571 HG11 VAL 74 1HG1 VAL 74 8.179 0.118 6.719 572 HG12 VAL 74 2HG1 VAL 74 8.026 1.252 8.063 573 HG13 VAL 74 3HG1 VAL 74 7.688 1.788 6.418 574 HG21 VAL 74 1HG2 VAL 74 4.423 -0.014 6.044 575 HG22 VAL 74 2HG2 VAL 74 5.971 -0.617 5.449 576 HG23 VAL 74 3HG2 VAL 74 5.549 1.086 5.246 577 H GLN 75 H GLN 75 4.971 0.658 10.200 578 HA GLN 75 HA GLN 75 7.284 1.358 11.692 579 HB2 GLN 75 2HB GLN 75 4.382 1.196 12.640 580 HB3 GLN 75 1HB GLN 75 5.676 2.117 13.406 581 HG2 GLN 75 2HG GLN 75 5.826 3.599 11.461 582 HG3 GLN 75 1HG GLN 75 4.634 2.632 10.597 583 HE21 GLN 75 1HE2 GLN 75 4.545 5.461 11.202 584 HE22 GLN 75 2HE2 GLN 75 3.112 5.724 12.131 585 H ARG 76 H ARG 76 5.236 -1.501 11.753 586 HA ARG 76 HA ARG 76 6.132 -2.613 14.250 587 HB2 ARG 76 2HB ARG 76 4.874 -3.982 11.844 588 HB3 ARG 76 1HB ARG 76 5.037 -4.699 13.449 589 HG2 ARG 76 2HG ARG 76 3.448 -3.126 14.384 590 HG3 ARG 76 1HG ARG 76 3.432 -2.182 12.892 591 HD2 ARG 76 2HD ARG 76 2.520 -4.205 11.708 592 HD3 ARG 76 1HD ARG 76 2.370 -4.992 13.283 593 HE ARG 76 HE ARG 76 0.994 -2.675 13.618 594 HH11 ARG 76 1HH1 ARG 76 0.797 -5.203 11.199 595 HH12 ARG 76 2HH1 ARG 76 -0.887 -4.972 10.903 596 HH21 ARG 76 1HH2 ARG 76 -1.233 -2.378 13.219 597 HH22 ARG 76 2HH2 ARG 76 -2.039 -3.364 12.057 598 H LEU 77 H LEU 77 6.980 -3.226 10.791 599 HA LEU 77 HA LEU 77 9.063 -5.123 11.455 600 HB2 LEU 77 2HB LEU 77 9.609 -5.112 9.013 601 HB3 LEU 77 1HB LEU 77 7.947 -5.512 9.391 602 HG LEU 77 HG LEU 77 7.379 -3.064 8.788 603 HD11 LEU 77 1HD1 LEU 77 9.549 -2.025 8.782 604 HD12 LEU 77 2HD1 LEU 77 8.873 -1.947 7.151 605 HD13 LEU 77 3HD1 LEU 77 10.134 -3.127 7.525 606 HD21 LEU 77 1HD2 LEU 77 6.707 -4.936 7.405 607 HD22 LEU 77 2HD2 LEU 77 8.279 -4.954 6.601 608 HD23 LEU 77 3HD2 LEU 77 7.193 -3.578 6.392 609 H LYS 78 H LYS 78 8.917 -1.715 11.311 610 HA LYS 78 HA LYS 78 11.740 -1.179 11.165 611 HB2 LYS 78 2HB LYS 78 9.377 0.398 12.245 612 HB3 LYS 78 1HB LYS 78 11.018 1.015 12.279 613 HG2 LYS 78 2HG LYS 78 9.494 0.268 9.768 614 HG3 LYS 78 1HG LYS 78 9.656 1.905 10.394 615 HD2 LYS 78 2HD LYS 78 12.048 0.197 9.606 616 HD3 LYS 78 1HD LYS 78 11.216 1.256 8.470 617 HE2 LYS 78 2HE LYS 78 13.110 2.479 9.258 618 HE3 LYS 78 1HE LYS 78 11.712 3.172 10.076 619 HZ1 LYS 78 1HZ LYS 78 12.280 1.925 12.043 620 HZ2 LYS 78 2HZ LYS 78 13.589 2.866 11.546 621 HZ3 LYS 78 3HZ LYS 78 13.591 1.208 11.253 622 H ALA 79 H ALA 79 9.396 -1.907 13.673 623 HA ALA 79 HA ALA 79 11.244 -1.585 15.897 624 HB1 ALA 79 1HB ALA 79 8.357 -2.538 15.843 625 HB2 ALA 79 2HB ALA 79 8.893 -0.889 16.163 626 HB3 ALA 79 3HB ALA 79 9.292 -2.178 17.301 627 H HIS 80 H HIS 80 11.286 -3.791 13.651 628 HA HIS 80 HA HIS 80 10.607 -6.294 14.457 629 HB2 HIS 80 2HB HIS 80 12.236 -7.138 12.810 630 HB3 HIS 80 1HB HIS 80 11.360 -5.745 12.185 631 HD1 HIS 80 HD1 HIS 80 14.688 -7.041 12.617 632 HD2 HIS 80 HD2 HIS 80 13.040 -3.267 12.331 633 HE1 HIS 80 HE1 HIS 80 16.579 -5.548 11.966 634 HE2 HIS 80 HE2 HIS 80 15.602 -3.228 12.060 635 HA PRO 81 HA PRO 81 13.542 -7.192 17.840 636 HB2 PRO 81 2HB PRO 81 12.645 -9.749 18.409 637 HB3 PRO 81 1HB PRO 81 11.832 -8.274 18.964 638 HG2 PRO 81 2HG PRO 81 11.111 -10.077 16.694 639 HG3 PRO 81 1HG PRO 81 10.050 -9.201 17.819 640 HD2 PRO 81 2HD PRO 81 10.581 -8.358 15.240 641 HD3 PRO 81 1HD PRO 81 10.087 -7.270 16.554 642 H GLU 82 H GLU 82 13.005 -10.217 15.899 643 HA GLU 82 HA GLU 82 15.692 -10.188 14.816 644 HB2 GLU 82 2HB GLU 82 16.205 -10.960 17.098 645 HB3 GLU 82 1HB GLU 82 14.974 -12.214 16.998 646 HG2 GLU 82 2HG GLU 82 17.276 -13.108 16.733 647 HG3 GLU 82 1HG GLU 82 16.264 -13.423 15.326 648 H GLN 83 H GLN 83 14.774 -10.456 12.829 649 HA GLN 83 HA GLN 83 13.345 -12.993 12.221 650 HB2 GLN 83 2HB GLN 83 13.247 -10.251 10.901 651 HB3 GLN 83 1HB GLN 83 12.760 -11.684 10.018 652 HG2 GLN 83 2HG GLN 83 10.783 -10.625 10.841 653 HG3 GLN 83 1HG GLN 83 11.014 -12.110 11.758 654 HE21 GLN 83 1HE2 GLN 83 11.469 -11.960 13.983 655 HE22 GLN 83 2HE2 GLN 83 11.259 -10.489 14.860 656 H GLY 84 H GLY 84 15.524 -10.621 10.754 657 HA2 GLY 84 2HA GLY 84 17.698 -12.291 10.207 658 HA3 GLY 84 1HA GLY 84 16.670 -12.250 8.773 659 H GLY 85 H GLY 85 19.355 -11.207 8.993 660 HA2 GLY 85 2HA GLY 85 19.247 -8.318 9.084 661 HA3 GLY 85 1HA GLY 85 20.603 -9.314 8.589 662 H ALA 86 H ALA 86 21.213 -8.757 6.582 663 HA ALA 86 HA ALA 86 21.262 -8.574 4.350 664 HB1 ALA 86 1HB ALA 86 19.450 -9.415 2.925 665 HB2 ALA 86 2HB ALA 86 18.358 -9.455 4.315 666 HB3 ALA 86 3HB ALA 86 19.762 -10.522 4.266 667 H ALA 87 H ALA 87 19.075 -6.662 6.160 668 HA ALA 87 HA ALA 87 18.199 -4.880 4.070 669 HB1 ALA 87 1HB ALA 87 18.038 -4.641 7.107 670 HB2 ALA 87 2HB ALA 87 16.783 -5.254 6.030 671 HB3 ALA 87 3HB ALA 87 17.250 -3.556 5.954 672 H LEU 88 H LEU 88 20.063 -4.067 3.100 673 HA LEU 88 HA LEU 88 22.286 -2.897 4.390 674 HB2 LEU 88 2HB LEU 88 22.333 -3.641 2.037 675 HB3 LEU 88 1HB LEU 88 21.164 -2.406 1.598 676 HG LEU 88 HG LEU 88 22.843 -0.636 2.207 677 HD11 LEU 88 1HD1 LEU 88 24.777 -2.938 2.597 678 HD12 LEU 88 2HD1 LEU 88 24.186 -1.836 3.843 679 HD13 LEU 88 3HD1 LEU 88 25.211 -1.227 2.545 680 HD21 LEU 88 1HD2 LEU 88 24.302 -0.914 0.241 681 HD22 LEU 88 2HD2 LEU 88 22.622 -1.293 -0.128 682 HD23 LEU 88 3HD2 LEU 88 23.790 -2.599 0.093 683 H GLU 89 H GLU 89 22.553 -0.950 5.284 684 HA GLU 89 HA GLU 89 20.282 0.917 5.406 685 HB2 GLU 89 2HB GLU 89 21.587 1.862 7.396 686 HB3 GLU 89 1HB GLU 89 20.931 0.240 7.579 687 HG2 GLU 89 2HG GLU 89 23.199 -0.690 7.073 688 HG3 GLU 89 1HG GLU 89 23.832 0.957 7.021 689 H282 PNS 101 3H28 PNS 136 0.176 -12.164 -3.744 690 H281 PNS 101 2H28 PNS 136 -0.428 -10.525 -3.554 691 H303 PNS 101 3H51 PNS 136 1.151 -8.573 -3.520 692 H302 PNS 101 2H51 PNS 136 2.879 -8.828 -3.760 693 H301 PNS 101 1H51 PNS 136 1.758 -9.041 -5.121 694 H313 PNS 101 3H52 PNS 136 3.769 -11.115 -4.143 695 H312 PNS 101 2H52 PNS 136 2.648 -11.355 -5.482 696 H311 PNS 101 1H52 PNS 136 2.693 -12.517 -4.144 697 H32 PNS 101 H32 PNS 136 2.889 -10.371 -1.870 698 H33 PNS 101 H33 PNS 136 0.062 -10.325 -1.565 699 H36 PNS 101 H36 PNS 136 3.660 -12.565 -2.107 700 H372 PNS 101 3H37 PNS 136 3.924 -14.752 -1.634 701 H371 PNS 101 2H37 PNS 136 2.964 -14.404 -0.198 702 H382 PNS 101 3H38 PNS 136 2.012 -16.283 -1.489 703 H381 PNS 101 2H38 PNS 136 0.905 -14.920 -1.408 704 H41 PNS 101 H41 PNS 136 3.672 -15.214 -3.623 705 H422 PNS 101 3H42 PNS 136 1.963 -14.816 -5.970 706 H421 PNS 101 2H42 PNS 136 2.894 -16.312 -5.895 707 H431 PNS 101 2H43 PNS 136 4.041 -13.496 -5.797 708 H432 PNS 101 3H43 PNS 136 4.984 -14.999 -5.730 709 H44 PNS 101 H44 PNS 136 5.212 -13.923 -8.310 Start of MODEL 11 1 H1 MET 1 1H MET 1 2.162 16.692 0.150 2 H2 MET 1 2H MET 1 1.954 16.149 1.737 3 H3 MET 1 3H MET 1 0.719 17.004 0.968 4 HA MET 1 HA MET 1 0.283 14.630 1.100 5 HB2 MET 1 2HB MET 1 0.639 15.842 -1.671 6 HB3 MET 1 1HB MET 1 -0.166 14.297 -1.414 7 HG2 MET 1 2HG MET 1 -1.867 15.402 -0.018 8 HG3 MET 1 1HG MET 1 -1.066 16.957 -0.265 9 HE1 MET 1 1HE MET 1 -4.421 17.134 -2.448 10 HE2 MET 1 2HE MET 1 -3.530 17.907 -1.138 11 HE3 MET 1 3HE MET 1 -4.210 16.294 -0.909 12 H LEU 2 H LEU 2 1.131 12.697 1.150 13 HA LEU 2 HA LEU 2 3.702 12.051 -0.166 14 HB2 LEU 2 2HB LEU 2 3.906 11.893 2.234 15 HB3 LEU 2 1HB LEU 2 2.386 11.047 2.404 16 HG LEU 2 HG LEU 2 4.574 9.627 0.875 17 HD11 LEU 2 1HD1 LEU 2 4.644 9.810 3.910 18 HD12 LEU 2 2HD1 LEU 2 5.824 10.517 2.801 19 HD13 LEU 2 3HD1 LEU 2 5.647 8.769 2.893 20 HD21 LEU 2 1HD2 LEU 2 2.519 8.636 2.896 21 HD22 LEU 2 2HD2 LEU 2 3.631 7.626 1.965 22 HD23 LEU 2 3HD2 LEU 2 2.377 8.542 1.137 23 H GLU 3 H GLU 3 0.460 10.935 0.613 24 HA GLU 3 HA GLU 3 0.641 8.422 -0.666 25 HB2 GLU 3 2HB GLU 3 -1.956 8.466 -0.433 26 HB3 GLU 3 1HB GLU 3 -0.941 8.385 0.986 27 HG2 GLU 3 2HG GLU 3 -2.834 9.868 1.309 28 HG3 GLU 3 1HG GLU 3 -1.302 10.694 1.490 29 H SER 4 H SER 4 -0.293 11.549 -1.827 30 HA SER 4 HA SER 4 -1.769 10.938 -4.092 31 HB2 SER 4 2HB SER 4 0.210 13.224 -3.717 32 HB3 SER 4 1HB SER 4 -0.975 13.118 -5.020 33 HG SER 4 HG SER 4 -1.537 13.202 -2.241 34 H LYS 5 H LYS 5 1.685 10.539 -3.597 35 HA LYS 5 HA LYS 5 2.347 10.102 -6.361 36 HB2 LYS 5 2HB LYS 5 3.977 10.957 -4.680 37 HB3 LYS 5 1HB LYS 5 3.902 9.416 -3.830 38 HG2 LYS 5 2HG LYS 5 5.900 9.406 -5.148 39 HG3 LYS 5 1HG LYS 5 4.764 8.301 -5.920 40 HD2 LYS 5 2HD LYS 5 5.704 9.504 -7.728 41 HD3 LYS 5 1HD LYS 5 4.150 10.292 -7.471 42 HE2 LYS 5 2HE LYS 5 6.794 11.333 -6.383 43 HE3 LYS 5 1HE LYS 5 6.071 11.872 -7.894 44 HZ1 LYS 5 1HZ LYS 5 5.562 13.434 -6.212 45 HZ2 LYS 5 2HZ LYS 5 5.011 12.242 -5.155 46 HZ3 LYS 5 3HZ LYS 5 4.127 12.604 -6.553 47 H LEU 6 H LEU 6 1.921 7.972 -3.461 48 HA LEU 6 HA LEU 6 2.534 5.559 -4.830 49 HB2 LEU 6 2HB LEU 6 1.987 4.366 -2.850 50 HB3 LEU 6 1HB LEU 6 2.732 5.866 -2.348 51 HG LEU 6 HG LEU 6 0.124 6.604 -2.090 52 HD11 LEU 6 1HD1 LEU 6 0.020 3.627 -1.540 53 HD12 LEU 6 2HD1 LEU 6 -0.820 4.482 -2.836 54 HD13 LEU 6 3HD1 LEU 6 -1.244 4.801 -1.158 55 HD21 LEU 6 1HD2 LEU 6 1.854 6.722 -0.315 56 HD22 LEU 6 2HD2 LEU 6 1.561 5.021 0.068 57 HD23 LEU 6 3HD2 LEU 6 0.274 6.223 0.294 58 H ILE 7 H ILE 7 -0.470 7.255 -4.201 59 HA ILE 7 HA ILE 7 -2.259 5.246 -5.127 60 HB ILE 7 HB ILE 7 -2.692 8.259 -4.877 61 HG12 ILE 7 2HG1 ILE 7 -3.627 6.046 -2.985 62 HG13 ILE 7 1HG1 ILE 7 -2.184 7.016 -2.709 63 HG21 ILE 7 1HG2 ILE 7 -5.134 7.729 -4.980 64 HG22 ILE 7 2HG2 ILE 7 -4.747 6.032 -5.275 65 HG23 ILE 7 3HG2 ILE 7 -4.304 7.256 -6.465 66 HD11 ILE 7 1HD1 ILE 7 -5.018 8.053 -2.854 67 HD12 ILE 7 2HD1 ILE 7 -3.574 9.040 -2.597 68 HD13 ILE 7 3HD1 ILE 7 -4.046 7.835 -1.400 69 H ASN 8 H ASN 8 -1.197 8.393 -6.603 70 HA ASN 8 HA ASN 8 -2.507 8.094 -9.046 71 HB2 ASN 8 2HB ASN 8 -1.406 10.197 -8.123 72 HB3 ASN 8 1HB ASN 8 0.130 9.583 -8.698 73 HD21 ASN 8 1HD2 ASN 8 -0.452 8.722 -11.295 74 HD22 ASN 8 2HD2 ASN 8 -1.072 10.037 -12.220 75 H HIS 9 H HIS 9 0.585 6.789 -8.015 76 HA HIS 9 HA HIS 9 1.846 6.075 -10.356 77 HB2 HIS 9 2HB HIS 9 2.757 5.774 -8.042 78 HB3 HIS 9 1HB HIS 9 1.684 4.399 -7.805 79 HD1 HIS 9 HD1 HIS 9 5.062 5.054 -8.545 80 HD2 HIS 9 HD2 HIS 9 2.303 2.353 -10.047 81 HE1 HIS 9 HE1 HIS 9 6.423 3.259 -9.628 82 HE2 HIS 9 HE2 HIS 9 4.728 1.508 -10.233 83 H ILE 10 H ILE 10 -0.233 3.798 -8.493 84 HA ILE 10 HA ILE 10 -0.627 2.144 -10.853 85 HB ILE 10 HB ILE 10 -2.155 0.809 -9.244 86 HG12 ILE 10 2HG1 ILE 10 -1.382 1.048 -6.760 87 HG13 ILE 10 1HG1 ILE 10 -0.798 2.638 -7.204 88 HG21 ILE 10 1HG2 ILE 10 -0.212 -0.405 -8.287 89 HG22 ILE 10 2HG2 ILE 10 0.838 0.935 -8.756 90 HG23 ILE 10 3HG2 ILE 10 -0.006 -0.004 -9.990 91 HD11 ILE 10 1HD1 ILE 10 -3.656 1.699 -7.335 92 HD12 ILE 10 2HD1 ILE 10 -3.064 3.304 -7.775 93 HD13 ILE 10 3HD1 ILE 10 -2.939 2.745 -6.107 94 H ALA 11 H ALA 11 -2.344 4.666 -9.243 95 HA ALA 11 HA ALA 11 -5.004 4.152 -9.967 96 HB1 ALA 11 1HB ALA 11 -4.357 5.885 -8.326 97 HB2 ALA 11 2HB ALA 11 -5.408 6.540 -9.583 98 HB3 ALA 11 3HB ALA 11 -3.673 6.858 -9.627 99 H THR 12 H THR 12 -2.288 5.253 -11.868 100 HA THR 12 HA THR 12 -3.676 6.493 -14.011 101 HB THR 12 HB THR 12 -1.009 5.023 -14.074 102 HG1 THR 12 HG1 THR 12 -0.636 6.658 -12.715 103 HG21 THR 12 1HG2 THR 12 -2.128 7.111 -15.985 104 HG22 THR 12 2HG2 THR 12 -1.849 5.409 -16.363 105 HG23 THR 12 3HG2 THR 12 -0.482 6.472 -16.021 106 H GLN 13 H GLN 13 -2.797 3.113 -13.331 107 HA GLN 13 HA GLN 13 -4.018 2.181 -15.862 108 HB2 GLN 13 2HB GLN 13 -2.963 -0.023 -15.327 109 HB3 GLN 13 1HB GLN 13 -1.804 1.292 -15.480 110 HG2 GLN 13 2HG GLN 13 -1.584 1.431 -13.049 111 HG3 GLN 13 1HG GLN 13 -2.801 0.176 -12.847 112 HE21 GLN 13 1HE2 GLN 13 0.487 0.836 -13.866 113 HE22 GLN 13 2HE2 GLN 13 1.039 -0.799 -13.785 114 H PHE 14 H PHE 14 -4.697 2.416 -12.514 115 HA PHE 14 HA PHE 14 -6.635 0.186 -12.471 116 HB2 PHE 14 2HB PHE 14 -5.128 1.752 -10.348 117 HB3 PHE 14 1HB PHE 14 -6.690 1.071 -9.892 118 HD1 PHE 14 HD1 PHE 14 -5.699 -0.358 -8.195 119 HD2 PHE 14 HD2 PHE 14 -4.436 -0.681 -12.274 120 HE1 PHE 14 HE1 PHE 14 -4.578 -2.477 -7.693 121 HE2 PHE 14 HE2 PHE 14 -3.326 -2.796 -11.753 122 HZ PHE 14 HZ PHE 14 -3.391 -3.704 -9.466 123 H LEU 15 H LEU 15 -6.493 3.691 -12.316 124 HA LEU 15 HA LEU 15 -9.429 3.900 -11.816 125 HB2 LEU 15 2HB LEU 15 -7.285 5.754 -10.705 126 HB3 LEU 15 1HB LEU 15 -9.010 5.828 -10.379 127 HG LEU 15 HG LEU 15 -7.094 3.659 -9.431 128 HD11 LEU 15 1HD1 LEU 15 -6.885 5.861 -8.292 129 HD12 LEU 15 2HD1 LEU 15 -7.392 4.559 -7.240 130 HD13 LEU 15 3HD1 LEU 15 -8.577 5.745 -7.790 131 HD21 LEU 15 1HD2 LEU 15 -9.307 2.699 -9.883 132 HD22 LEU 15 2HD2 LEU 15 -10.073 3.934 -8.876 133 HD23 LEU 15 3HD2 LEU 15 -8.972 2.755 -8.159 134 H ASP 16 H ASP 16 -7.285 4.366 -14.180 135 HA ASP 16 HA ASP 16 -7.280 5.530 -16.135 136 HB2 ASP 16 2HB ASP 16 -9.869 5.575 -15.727 137 HB3 ASP 16 1HB ASP 16 -9.637 7.203 -15.134 138 H GLY 17 H GLY 17 -6.045 6.508 -13.514 139 HA2 GLY 17 2HA GLY 17 -4.382 8.157 -13.237 140 HA3 GLY 17 1HA GLY 17 -5.220 9.199 -14.372 141 H GLU 18 H GLU 18 -7.636 8.117 -12.429 142 HA GLU 18 HA GLU 18 -7.744 10.676 -11.003 143 HB2 GLU 18 2HB GLU 18 -10.053 10.405 -10.965 144 HB3 GLU 18 1HB GLU 18 -9.716 9.335 -12.324 145 HG2 GLU 18 2HG GLU 18 -9.748 7.394 -10.738 146 HG3 GLU 18 1HG GLU 18 -10.208 8.491 -9.438 147 H LYS 19 H LYS 19 -7.920 10.873 -8.724 148 HA LYS 19 HA LYS 19 -7.506 8.420 -7.104 149 HB2 LYS 19 2HB LYS 19 -7.475 11.321 -6.149 150 HB3 LYS 19 1HB LYS 19 -7.070 9.882 -5.211 151 HG2 LYS 19 2HG LYS 19 -5.224 9.527 -7.058 152 HG3 LYS 19 1HG LYS 19 -5.473 11.248 -7.373 153 HD2 LYS 19 2HD LYS 19 -4.712 9.989 -4.714 154 HD3 LYS 19 1HD LYS 19 -3.625 10.891 -5.769 155 HE2 LYS 19 2HE LYS 19 -4.848 12.958 -5.343 156 HE3 LYS 19 1HE LYS 19 -6.101 12.081 -4.466 157 HZ1 LYS 19 1HZ LYS 19 -3.291 12.450 -3.622 158 HZ2 LYS 19 2HZ LYS 19 -4.415 11.485 -2.811 159 HZ3 LYS 19 3HZ LYS 19 -4.666 13.147 -2.939 160 H ASP 20 H ASP 20 -9.438 7.466 -6.900 161 HA ASP 20 HA ASP 20 -11.394 8.537 -5.159 162 HB2 ASP 20 2HB ASP 20 -12.091 9.746 -7.283 163 HB3 ASP 20 1HB ASP 20 -12.409 8.183 -8.026 164 H GLY 21 H GLY 21 -12.361 6.894 -4.152 165 HA2 GLY 21 2HA GLY 21 -13.118 4.764 -3.659 166 HA3 GLY 21 1HA GLY 21 -12.708 4.237 -5.286 167 H LEU 22 H LEU 22 -9.954 5.166 -5.167 168 HA LEU 22 HA LEU 22 -8.725 3.502 -3.066 169 HB2 LEU 22 2HB LEU 22 -8.406 3.017 -5.661 170 HB3 LEU 22 1HB LEU 22 -7.306 4.355 -5.606 171 HG LEU 22 HG LEU 22 -6.964 1.910 -3.828 172 HD11 LEU 22 1HD1 LEU 22 -5.768 2.389 -6.571 173 HD12 LEU 22 2HD1 LEU 22 -6.948 1.148 -6.133 174 HD13 LEU 22 3HD1 LEU 22 -5.321 1.088 -5.464 175 HD21 LEU 22 1HD2 LEU 22 -5.720 3.894 -3.053 176 HD22 LEU 22 2HD2 LEU 22 -4.980 4.075 -4.646 177 HD23 LEU 22 3HD2 LEU 22 -4.606 2.664 -3.654 178 H ASP 23 H ASP 23 -8.302 4.894 -1.512 179 HA ASP 23 HA ASP 23 -6.382 7.033 -2.032 180 HB2 ASP 23 2HB ASP 23 -8.858 7.415 -0.284 181 HB3 ASP 23 1HB ASP 23 -7.482 8.505 -0.298 182 H SER 24 H SER 24 -5.768 7.834 0.376 183 HA SER 24 HA SER 24 -4.373 5.642 1.504 184 HB2 SER 24 2HB SER 24 -3.858 8.240 1.430 185 HB3 SER 24 1HB SER 24 -4.806 8.297 2.910 186 HG SER 24 HG SER 24 -2.527 6.677 2.467 187 H GLN 25 H GLN 25 -7.126 7.625 2.674 188 HA GLN 25 HA GLN 25 -7.502 6.093 5.077 189 HB2 GLN 25 2HB GLN 25 -7.661 8.599 4.762 190 HB3 GLN 25 1HB GLN 25 -9.140 8.355 3.856 191 HG2 GLN 25 2HG GLN 25 -9.064 7.180 6.579 192 HG3 GLN 25 1HG GLN 25 -9.029 8.932 6.488 193 HE21 GLN 25 1HE2 GLN 25 -10.809 10.021 5.537 194 HE22 GLN 25 2HE2 GLN 25 -12.361 9.274 5.455 195 H THR 26 H THR 26 -8.731 5.927 1.865 196 HA THR 26 HA THR 26 -11.408 5.024 2.423 197 HB THR 26 HB THR 26 -9.841 4.948 -0.210 198 HG1 THR 26 HG1 THR 26 -10.630 7.019 -0.522 199 HG21 THR 26 1HG2 THR 26 -12.832 5.003 0.344 200 HG22 THR 26 2HG2 THR 26 -11.926 3.643 -0.322 201 HG23 THR 26 3HG2 THR 26 -12.091 5.135 -1.254 202 HA PRO 27 HA PRO 27 -10.325 0.676 3.075 203 HB2 PRO 27 2HB PRO 27 -12.781 -0.504 2.684 204 HB3 PRO 27 1HB PRO 27 -12.390 0.451 4.137 205 HG2 PRO 27 2HG PRO 27 -13.862 1.329 1.661 206 HG3 PRO 27 1HG PRO 27 -14.289 1.607 3.365 207 HD2 PRO 27 2HD PRO 27 -13.088 3.513 1.891 208 HD3 PRO 27 1HD PRO 27 -12.710 3.320 3.615 209 H LEU 28 H LEU 28 -8.994 0.020 1.479 210 HA LEU 28 HA LEU 28 -9.631 0.029 -1.301 211 HB2 LEU 28 2HB LEU 28 -7.330 -1.403 0.080 212 HB3 LEU 28 1HB LEU 28 -7.413 -0.918 -1.604 213 HG LEU 28 HG LEU 28 -7.145 0.934 0.801 214 HD11 LEU 28 1HD1 LEU 28 -5.198 0.356 -1.454 215 HD12 LEU 28 2HD1 LEU 28 -5.060 -0.197 0.218 216 HD13 LEU 28 3HD1 LEU 28 -4.964 1.524 -0.148 217 HD21 LEU 28 1HD2 LEU 28 -7.461 1.687 -2.123 218 HD22 LEU 28 2HD2 LEU 28 -6.983 2.796 -0.837 219 HD23 LEU 28 3HD2 LEU 28 -8.576 2.050 -0.802 220 H PHE 29 H PHE 29 -9.783 -2.371 1.220 221 HA PHE 29 HA PHE 29 -10.065 -4.661 -0.523 222 HB2 PHE 29 2HB PHE 29 -9.506 -4.223 2.317 223 HB3 PHE 29 1HB PHE 29 -10.820 -5.383 2.172 224 HD1 PHE 29 HD1 PHE 29 -7.495 -4.634 0.631 225 HD2 PHE 29 HD2 PHE 29 -10.222 -7.656 1.962 226 HE1 PHE 29 HE1 PHE 29 -5.869 -6.351 0.082 227 HE2 PHE 29 HE2 PHE 29 -8.566 -9.386 1.397 228 HZ PHE 29 HZ PHE 29 -6.390 -8.735 0.450 229 H GLU 30 H GLU 30 -12.180 -2.818 1.643 230 HA GLU 30 HA GLU 30 -14.479 -4.435 1.432 231 HB2 GLU 30 2HB GLU 30 -14.116 -2.759 3.208 232 HB3 GLU 30 1HB GLU 30 -14.251 -1.462 2.029 233 HG2 GLU 30 2HG GLU 30 -16.604 -2.006 1.647 234 HG3 GLU 30 1HG GLU 30 -16.488 -3.396 2.724 235 H LEU 31 H LEU 31 -13.304 -1.702 -0.455 236 HA LEU 31 HA LEU 31 -15.636 -1.673 -2.218 237 HB2 LEU 31 2HB LEU 31 -13.078 -0.039 -2.355 238 HB3 LEU 31 1HB LEU 31 -14.547 0.252 -3.279 239 HG LEU 31 HG LEU 31 -14.180 0.591 -0.278 240 HD11 LEU 31 1HD1 LEU 31 -14.606 2.955 -0.694 241 HD12 LEU 31 2HD1 LEU 31 -14.729 2.646 -2.429 242 HD13 LEU 31 3HD1 LEU 31 -13.197 2.389 -1.590 243 HD21 LEU 31 1HD2 LEU 31 -16.416 -0.294 -0.660 244 HD22 LEU 31 2HD2 LEU 31 -16.727 0.920 -1.904 245 HD23 LEU 31 3HD2 LEU 31 -16.520 1.410 -0.222 246 H ASN 32 H ASN 32 -12.517 -3.101 -2.039 247 HA ASN 32 HA ASN 32 -11.374 -4.614 -3.308 248 HB2 ASN 32 2HB ASN 32 -13.844 -5.520 -3.465 249 HB3 ASN 32 1HB ASN 32 -13.826 -4.908 -5.107 250 HD21 ASN 32 1HD2 ASN 32 -10.966 -5.752 -5.557 251 HD22 ASN 32 2HD2 ASN 32 -11.047 -7.464 -5.717 252 H ILE 33 H ILE 33 -11.031 -1.903 -3.884 253 HA ILE 33 HA ILE 33 -11.220 -1.371 -6.722 254 HB ILE 33 HB ILE 33 -9.839 0.226 -4.515 255 HG12 ILE 33 2HG1 ILE 33 -12.275 -0.000 -4.103 256 HG13 ILE 33 1HG1 ILE 33 -11.874 1.657 -4.528 257 HG21 ILE 33 1HG2 ILE 33 -10.586 1.049 -7.344 258 HG22 ILE 33 2HG2 ILE 33 -8.951 0.842 -6.708 259 HG23 ILE 33 3HG2 ILE 33 -9.978 2.140 -6.098 260 HD11 ILE 33 1HD1 ILE 33 -13.926 0.975 -5.577 261 HD12 ILE 33 2HD1 ILE 33 -13.128 -0.392 -6.353 262 HD13 ILE 33 3HD1 ILE 33 -12.695 1.262 -6.803 263 H VAL 34 H VAL 34 -8.520 -1.737 -4.410 264 HA VAL 34 HA VAL 34 -6.582 -1.944 -6.587 265 HB VAL 34 HB VAL 34 -6.042 -0.704 -4.448 266 HG11 VAL 34 1HG1 VAL 34 -5.298 -1.914 -2.441 267 HG12 VAL 34 2HG1 VAL 34 -5.778 -3.449 -3.170 268 HG13 VAL 34 3HG1 VAL 34 -7.003 -2.241 -2.776 269 HG21 VAL 34 1HG2 VAL 34 -4.245 -1.375 -5.981 270 HG22 VAL 34 2HG2 VAL 34 -4.098 -2.926 -5.155 271 HG23 VAL 34 3HG2 VAL 34 -3.687 -1.435 -4.306 272 H ASP 35 H ASP 35 -5.620 -3.794 -7.258 273 HA ASP 35 HA ASP 35 -6.441 -6.406 -6.196 274 HB2 ASP 35 2HB ASP 35 -6.665 -6.100 -8.615 275 HB3 ASP 35 1HB ASP 35 -5.007 -5.582 -8.759 276 H SER 36 H SER 36 -4.708 -8.042 -6.155 277 HA SER 36 HA SER 36 -2.767 -7.333 -4.231 278 HB2 SER 36 2HB SER 36 -3.973 -9.585 -4.497 279 HB3 SER 36 1HB SER 36 -2.815 -9.949 -5.777 280 H ALA 37 H ALA 37 -2.653 -7.588 -7.722 281 HA ALA 37 HA ALA 37 0.095 -7.933 -8.216 282 HB1 ALA 37 1HB ALA 37 -0.345 -6.963 -10.441 283 HB2 ALA 37 2HB ALA 37 -1.901 -6.342 -9.876 284 HB3 ALA 37 3HB ALA 37 -1.630 -8.082 -9.980 285 H ALA 38 H ALA 38 -1.683 -5.079 -7.225 286 HA ALA 38 HA ALA 38 0.431 -3.183 -7.800 287 HB1 ALA 38 1HB ALA 38 -1.078 -1.542 -6.748 288 HB2 ALA 38 2HB ALA 38 -2.149 -2.848 -6.240 289 HB3 ALA 38 3HB ALA 38 -1.926 -2.508 -7.955 290 H ILE 39 H ILE 39 -0.329 -5.277 -5.122 291 HA ILE 39 HA ILE 39 0.432 -3.699 -2.900 292 HB ILE 39 HB ILE 39 0.514 -6.728 -3.241 293 HG12 ILE 39 2HG1 ILE 39 -1.734 -5.830 -3.543 294 HG13 ILE 39 1HG1 ILE 39 -1.661 -6.682 -2.009 295 HG21 ILE 39 1HG2 ILE 39 0.706 -5.173 -0.621 296 HG22 ILE 39 2HG2 ILE 39 1.993 -6.140 -1.353 297 HG23 ILE 39 3HG2 ILE 39 0.523 -6.924 -0.759 298 HD11 ILE 39 1HD1 ILE 39 -1.632 -3.688 -2.397 299 HD12 ILE 39 2HD1 ILE 39 -1.505 -4.525 -0.844 300 HD13 ILE 39 3HD1 ILE 39 -2.967 -4.680 -1.810 301 H PHE 40 H PHE 40 2.324 -5.876 -4.961 302 HA PHE 40 HA PHE 40 4.770 -5.756 -3.555 303 HB2 PHE 40 2HB PHE 40 4.187 -7.475 -5.282 304 HB3 PHE 40 1HB PHE 40 4.323 -6.244 -6.533 305 HD1 PHE 40 HD1 PHE 40 6.549 -6.910 -3.577 306 HD2 PHE 40 HD2 PHE 40 6.190 -6.955 -7.848 307 HE1 PHE 40 HE1 PHE 40 8.931 -7.448 -3.780 308 HE2 PHE 40 HE2 PHE 40 8.589 -7.499 -8.027 309 HZ PHE 40 HZ PHE 40 9.956 -7.744 -5.994 310 H ASP 41 H ASP 41 3.267 -3.549 -5.814 311 HA ASP 41 HA ASP 41 5.617 -1.914 -6.284 312 HB2 ASP 41 2HB ASP 41 3.786 -2.191 -7.975 313 HB3 ASP 41 1HB ASP 41 2.668 -1.385 -6.883 314 H LEU 42 H LEU 42 2.652 -1.742 -4.332 315 HA LEU 42 HA LEU 42 2.896 0.883 -3.311 316 HB2 LEU 42 2HB LEU 42 1.477 -1.558 -2.166 317 HB3 LEU 42 1HB LEU 42 1.256 0.080 -1.563 318 HG LEU 42 HG LEU 42 0.484 -0.903 -4.344 319 HD11 LEU 42 1HD1 LEU 42 -1.835 -0.610 -3.629 320 HD12 LEU 42 2HD1 LEU 42 -1.298 -0.156 -2.009 321 HD13 LEU 42 3HD1 LEU 42 -0.999 -1.787 -2.617 322 HD21 LEU 42 1HD2 LEU 42 -0.582 1.293 -4.674 323 HD22 LEU 42 2HD2 LEU 42 1.160 1.447 -4.463 324 HD23 LEU 42 3HD2 LEU 42 0.073 1.856 -3.132 325 H VAL 43 H VAL 43 4.047 -2.231 -2.149 326 HA VAL 43 HA VAL 43 4.950 -1.318 0.411 327 HB VAL 43 HB VAL 43 4.281 -3.689 -0.106 328 HG11 VAL 43 1HG1 VAL 43 5.339 -3.967 -2.291 329 HG12 VAL 43 2HG1 VAL 43 5.884 -5.222 -1.181 330 HG13 VAL 43 3HG1 VAL 43 6.945 -3.865 -1.560 331 HG21 VAL 43 1HG2 VAL 43 5.528 -3.167 1.942 332 HG22 VAL 43 2HG2 VAL 43 7.058 -3.363 1.083 333 HG23 VAL 43 3HG2 VAL 43 5.995 -4.751 1.316 334 H ASP 44 H ASP 44 6.401 -1.588 -2.799 335 HA ASP 44 HA ASP 44 9.107 -1.174 -2.106 336 HB2 ASP 44 2HB ASP 44 7.530 -0.809 -4.643 337 HB3 ASP 44 1HB ASP 44 9.129 -0.068 -4.559 338 H PHE 45 H PHE 45 6.432 1.015 -2.640 339 HA PHE 45 HA PHE 45 7.827 3.460 -2.415 340 HB2 PHE 45 2HB PHE 45 5.465 3.130 -3.278 341 HB3 PHE 45 1HB PHE 45 4.944 2.869 -1.619 342 HD1 PHE 45 HD1 PHE 45 6.158 5.367 -4.051 343 HD2 PHE 45 HD2 PHE 45 4.746 4.777 -0.049 344 HE1 PHE 45 HE1 PHE 45 5.839 7.778 -3.789 345 HE2 PHE 45 HE2 PHE 45 4.449 7.203 0.184 346 HZ PHE 45 HZ PHE 45 4.989 8.704 -1.687 347 H LEU 46 H LEU 46 6.120 1.429 0.021 348 HA LEU 46 HA LEU 46 6.527 3.147 2.243 349 HB2 LEU 46 2HB LEU 46 5.940 0.166 2.176 350 HB3 LEU 46 1HB LEU 46 5.810 1.177 3.608 351 HG LEU 46 HG LEU 46 4.089 1.381 1.097 352 HD11 LEU 46 1HD1 LEU 46 3.334 0.513 3.902 353 HD12 LEU 46 2HD1 LEU 46 3.508 -0.534 2.492 354 HD13 LEU 46 3HD1 LEU 46 2.237 0.683 2.527 355 HD21 LEU 46 1HD2 LEU 46 3.949 3.105 3.601 356 HD22 LEU 46 2HD2 LEU 46 2.778 3.111 2.280 357 HD23 LEU 46 3HD2 LEU 46 4.433 3.636 1.987 358 H ARG 47 H ARG 47 8.454 0.405 1.039 359 HA ARG 47 HA ARG 47 10.221 0.251 3.316 360 HB2 ARG 47 2HB ARG 47 11.230 -1.592 2.226 361 HB3 ARG 47 1HB ARG 47 9.604 -1.629 1.552 362 HG2 ARG 47 2HG ARG 47 10.717 -0.152 -0.362 363 HG3 ARG 47 1HG ARG 47 12.199 -0.874 0.226 364 HD2 ARG 47 2HD ARG 47 9.774 -2.441 -0.697 365 HD3 ARG 47 1HD ARG 47 11.155 -2.056 -1.721 366 HE ARG 47 HE ARG 47 12.174 -3.370 0.493 367 HH11 ARG 47 1HH1 ARG 47 10.007 -4.079 -2.186 368 HH12 ARG 47 2HH1 ARG 47 10.387 -5.774 -2.198 369 HH21 ARG 47 1HH2 ARG 47 12.640 -5.617 0.477 370 HH22 ARG 47 2HH2 ARG 47 11.868 -6.647 -0.700 371 H GLN 48 H GLN 48 10.055 2.129 0.415 372 HA GLN 48 HA GLN 48 12.808 2.999 0.340 373 HB2 GLN 48 2HB GLN 48 11.334 2.870 -1.662 374 HB3 GLN 48 1HB GLN 48 10.299 4.118 -0.983 375 HG2 GLN 48 2HG GLN 48 12.127 5.759 -1.175 376 HG3 GLN 48 1HG GLN 48 13.204 4.497 -1.780 377 HE21 GLN 48 1HE2 GLN 48 9.802 4.811 -2.690 378 HE22 GLN 48 2HE2 GLN 48 10.096 5.233 -4.331 379 H GLU 49 H GLU 49 9.672 4.473 1.276 380 HA GLU 49 HA GLU 49 10.727 6.991 2.048 381 HB2 GLU 49 2HB GLU 49 8.052 5.714 2.774 382 HB3 GLU 49 1HB GLU 49 8.448 7.418 2.985 383 HG2 GLU 49 2HG GLU 49 8.210 5.928 0.353 384 HG3 GLU 49 1HG GLU 49 7.075 7.108 0.994 385 H SER 50 H SER 50 9.567 4.241 4.015 386 HA SER 50 HA SER 50 10.257 5.519 6.519 387 HB2 SER 50 2HB SER 50 8.265 4.112 6.384 388 HB3 SER 50 1HB SER 50 9.229 2.715 5.922 389 HG SER 50 HG SER 50 9.861 4.015 8.311 390 H LYS 51 H LYS 51 12.140 3.993 4.249 391 HA LYS 51 HA LYS 51 14.223 3.189 4.094 392 HB2 LYS 51 2HB LYS 51 14.695 4.150 6.945 393 HB3 LYS 51 1HB LYS 51 15.902 3.903 5.695 394 HG2 LYS 51 2HG LYS 51 13.781 6.078 5.753 395 HG3 LYS 51 1HG LYS 51 15.506 6.290 6.031 396 HD2 LYS 51 2HD LYS 51 14.216 5.437 3.409 397 HD3 LYS 51 1HD LYS 51 14.834 7.046 3.767 398 HE2 LYS 51 2HE LYS 51 17.129 6.146 3.921 399 HE3 LYS 51 1HE LYS 51 16.522 4.513 3.625 400 HZ1 LYS 51 1HZ LYS 51 16.339 6.800 1.749 401 HZ2 LYS 51 2HZ LYS 51 15.751 5.243 1.463 402 HZ3 LYS 51 3HZ LYS 51 17.410 5.499 1.634 403 H VAL 52 H VAL 52 12.831 1.210 4.207 404 HA VAL 52 HA VAL 52 13.668 -0.693 6.316 405 HB VAL 52 HB VAL 52 10.990 -0.921 4.856 406 HG11 VAL 52 1HG1 VAL 52 10.360 -2.354 6.736 407 HG12 VAL 52 2HG1 VAL 52 11.905 -2.052 7.534 408 HG13 VAL 52 3HG1 VAL 52 11.854 -2.944 6.006 409 HG21 VAL 52 1HG2 VAL 52 10.868 1.252 5.933 410 HG22 VAL 52 2HG2 VAL 52 11.412 0.567 7.464 411 HG23 VAL 52 3HG2 VAL 52 9.847 0.100 6.796 412 H SER 53 H SER 53 14.362 -2.668 5.551 413 HA SER 53 HA SER 53 13.707 -3.450 2.761 414 HB2 SER 53 2HB SER 53 15.734 -4.737 4.677 415 HB3 SER 53 1HB SER 53 15.507 -5.087 2.965 416 HG SER 53 HG SER 53 15.978 -2.435 3.507 417 H ILE 54 H ILE 54 11.758 -4.448 2.815 418 HA ILE 54 HA ILE 54 10.905 -6.033 5.166 419 HB ILE 54 HB ILE 54 9.360 -4.261 4.406 420 HG12 ILE 54 2HG1 ILE 54 8.247 -7.067 3.907 421 HG13 ILE 54 1HG1 ILE 54 8.380 -6.288 5.474 422 HG21 ILE 54 1HG2 ILE 54 8.221 -4.331 2.245 423 HG22 ILE 54 2HG2 ILE 54 9.130 -5.763 1.775 424 HG23 ILE 54 3HG2 ILE 54 9.965 -4.221 2.004 425 HD11 ILE 54 1HD1 ILE 54 6.583 -5.418 3.213 426 HD12 ILE 54 2HD1 ILE 54 6.680 -4.667 4.810 427 HD13 ILE 54 3HD1 ILE 54 6.105 -6.328 4.643 428 H GLY 55 H GLY 55 10.197 -8.221 4.953 429 HA2 GLY 55 2HA GLY 55 11.264 -9.724 2.677 430 HA3 GLY 55 1HA GLY 55 10.589 -10.384 4.160 431 H MET 56 H MET 56 10.013 -11.214 1.452 432 HA MET 56 HA MET 56 7.658 -10.166 0.324 433 HB2 MET 56 2HB MET 56 8.869 -12.951 0.069 434 HB3 MET 56 1HB MET 56 7.584 -12.329 -0.967 435 HG2 MET 56 2HG MET 56 10.415 -11.267 -0.761 436 HG3 MET 56 1HG MET 56 9.710 -12.138 -2.121 437 HE1 MET 56 1HE MET 56 6.742 -10.681 -2.149 438 HE2 MET 56 2HE MET 56 7.648 -11.042 -3.620 439 HE3 MET 56 3HE MET 56 7.041 -9.414 -3.337 440 H GLN 57 H GLN 57 8.067 -12.322 2.980 441 HA GLN 57 HA GLN 57 5.598 -13.755 2.844 442 HB2 GLN 57 2HB GLN 57 7.454 -13.316 5.230 443 HB3 GLN 57 1HB GLN 57 6.237 -14.583 5.085 444 HG2 GLN 57 2HG GLN 57 7.485 -15.650 3.292 445 HG3 GLN 57 1HG GLN 57 8.658 -14.334 3.263 446 HE21 GLN 57 1HE2 GLN 57 10.159 -14.173 4.982 447 HE22 GLN 57 2HE2 GLN 57 10.500 -15.518 6.006 448 H GLU 58 H GLU 58 6.671 -10.752 4.389 449 HA GLU 58 HA GLU 58 4.216 -10.307 5.890 450 HB2 GLU 58 2HB GLU 58 6.596 -8.466 5.329 451 HB3 GLU 58 1HB GLU 58 5.274 -8.104 6.430 452 HG2 GLU 58 2HG GLU 58 7.141 -8.786 7.757 453 HG3 GLU 58 1HG GLU 58 5.940 -10.076 7.804 454 H ILE 59 H ILE 59 5.562 -9.482 2.761 455 HA ILE 59 HA ILE 59 3.742 -7.365 2.105 456 HB ILE 59 HB ILE 59 5.270 -9.111 0.130 457 HG12 ILE 59 2HG1 ILE 59 6.209 -6.527 1.472 458 HG13 ILE 59 1HG1 ILE 59 6.866 -8.133 1.770 459 HG21 ILE 59 1HG2 ILE 59 4.174 -6.278 -0.136 460 HG22 ILE 59 2HG2 ILE 59 3.467 -7.729 -0.854 461 HG23 ILE 59 3HG2 ILE 59 5.054 -7.174 -1.381 462 HD11 ILE 59 1HD1 ILE 59 8.297 -6.818 0.308 463 HD12 ILE 59 2HD1 ILE 59 6.973 -6.646 -0.848 464 HD13 ILE 59 3HD1 ILE 59 7.671 -8.238 -0.529 465 H HIS 60 H HIS 60 1.724 -8.360 2.750 466 HA HIS 60 HA HIS 60 0.467 -9.763 0.515 467 HB2 HIS 60 2HB HIS 60 -0.815 -11.255 2.083 468 HB3 HIS 60 1HB HIS 60 0.900 -11.619 1.974 469 HD1 HIS 60 HD1 HIS 60 2.269 -11.485 4.106 470 HD2 HIS 60 HD2 HIS 60 -1.632 -10.164 4.568 471 HE1 HIS 60 HE1 HIS 60 1.937 -11.262 6.586 472 HE2 HIS 60 HE2 HIS 60 -0.430 -10.423 6.842 473 HA PRO 61 HA PRO 61 -2.249 -6.481 0.600 474 HB2 PRO 61 2HB PRO 61 -4.635 -7.548 -0.347 475 HB3 PRO 61 1HB PRO 61 -3.195 -7.317 -1.350 476 HG2 PRO 61 2HG PRO 61 -4.128 -9.810 0.041 477 HG3 PRO 61 1HG PRO 61 -3.566 -9.599 -1.637 478 HD2 PRO 61 2HD PRO 61 -1.914 -10.563 0.243 479 HD3 PRO 61 1HD PRO 61 -1.308 -9.449 -1.001 480 H ALA 62 H ALA 62 -3.250 -9.100 2.688 481 HA ALA 62 HA ALA 62 -5.554 -8.100 3.929 482 HB1 ALA 62 1HB ALA 62 -4.953 -9.530 5.848 483 HB2 ALA 62 2HB ALA 62 -3.305 -9.678 5.226 484 HB3 ALA 62 3HB ALA 62 -4.650 -10.368 4.322 485 H ASN 63 H ASN 63 -2.168 -7.325 4.476 486 HA ASN 63 HA ASN 63 -2.640 -5.598 6.771 487 HB2 ASN 63 2HB ASN 63 -0.114 -6.233 5.172 488 HB3 ASN 63 1HB ASN 63 -0.155 -5.262 6.645 489 HD21 ASN 63 1HD2 ASN 63 1.273 -6.733 7.645 490 HD22 ASN 63 2HD2 ASN 63 0.744 -8.268 8.224 491 H PHE 64 H PHE 64 -2.273 -5.333 3.317 492 HA PHE 64 HA PHE 64 -1.866 -2.418 3.370 493 HB2 PHE 64 2HB PHE 64 -1.767 -4.443 1.082 494 HB3 PHE 64 1HB PHE 64 -1.479 -2.714 0.899 495 HD1 PHE 64 HD1 PHE 64 -0.194 -5.793 2.549 496 HD2 PHE 64 HD2 PHE 64 0.702 -1.792 1.331 497 HE1 PHE 64 HE1 PHE 64 2.173 -6.176 3.066 498 HE2 PHE 64 HE2 PHE 64 3.076 -2.183 1.853 499 HZ PHE 64 HZ PHE 64 3.808 -4.373 2.717 500 H ALA 65 H ALA 65 -4.443 -4.012 3.953 501 HA ALA 65 HA ALA 65 -6.414 -3.529 2.007 502 HB1 ALA 65 1HB ALA 65 -6.724 -3.714 5.024 503 HB2 ALA 65 2HB ALA 65 -6.680 -5.077 3.904 504 HB3 ALA 65 3HB ALA 65 -8.013 -3.922 3.834 505 H THR 66 H THR 66 -5.084 -1.464 4.521 506 HA THR 66 HA THR 66 -6.367 0.952 3.441 507 HB THR 66 HB THR 66 -6.844 1.767 5.820 508 HG1 THR 66 HG1 THR 66 -6.991 -0.840 6.775 509 HG21 THR 66 1HG2 THR 66 -8.983 0.576 6.155 510 HG22 THR 66 2HG2 THR 66 -8.487 -0.671 5.013 511 HG23 THR 66 3HG2 THR 66 -8.759 0.978 4.448 512 H VAL 67 H VAL 67 -5.196 2.972 4.336 513 HA VAL 67 HA VAL 67 -2.385 2.598 4.400 514 HB VAL 67 HB VAL 67 -3.440 4.805 3.756 515 HG11 VAL 67 1HG1 VAL 67 -3.946 6.502 5.476 516 HG12 VAL 67 2HG1 VAL 67 -3.704 5.308 6.751 517 HG13 VAL 67 3HG1 VAL 67 -5.041 5.124 5.613 518 HG21 VAL 67 1HG2 VAL 67 -1.587 6.192 4.634 519 HG22 VAL 67 2HG2 VAL 67 -1.007 4.605 4.124 520 HG23 VAL 67 3HG2 VAL 67 -1.224 4.956 5.841 521 H GLN 68 H GLN 68 -4.763 3.027 6.994 522 HA GLN 68 HA GLN 68 -2.985 3.486 9.124 523 HB2 GLN 68 2HB GLN 68 -4.961 2.840 10.573 524 HB3 GLN 68 1HB GLN 68 -5.336 4.061 9.361 525 HG2 GLN 68 2HG GLN 68 -6.423 2.412 7.949 526 HG3 GLN 68 1HG GLN 68 -5.930 1.101 9.023 527 HE21 GLN 68 1HE2 GLN 68 -8.067 0.444 9.280 528 HE22 GLN 68 2HE2 GLN 68 -9.217 1.343 10.206 529 H SER 69 H SER 69 -4.129 0.520 7.638 530 HA SER 69 HA SER 69 -3.025 -1.229 9.650 531 HB2 SER 69 2HB SER 69 -5.069 -1.798 8.321 532 HB3 SER 69 1HB SER 69 -4.072 -1.895 6.869 533 HG SER 69 HG SER 69 -3.043 -3.664 7.692 534 H MET 70 H MET 70 -2.061 -0.081 6.379 535 HA MET 70 HA MET 70 0.145 -1.931 6.151 536 HB2 MET 70 2HB MET 70 0.596 -1.004 4.004 537 HB3 MET 70 1HB MET 70 -1.153 -1.014 4.162 538 HG2 MET 70 2HG MET 70 -1.142 1.386 4.625 539 HG3 MET 70 1HG MET 70 0.617 1.413 4.538 540 HE1 MET 70 1HE MET 70 -2.142 0.687 0.884 541 HE2 MET 70 2HE MET 70 -2.739 1.025 2.510 542 HE3 MET 70 3HE MET 70 -1.971 -0.522 2.155 543 H VAL 71 H VAL 71 -0.181 1.453 7.143 544 HA VAL 71 HA VAL 71 2.623 2.054 7.026 545 HB VAL 71 HB VAL 71 0.776 3.801 6.795 546 HG11 VAL 71 1HG1 VAL 71 -0.657 3.183 8.699 547 HG12 VAL 71 2HG1 VAL 71 -0.168 4.875 8.789 548 HG13 VAL 71 3HG1 VAL 71 0.614 3.678 9.818 549 HG21 VAL 71 1HG2 VAL 71 3.127 4.465 7.037 550 HG22 VAL 71 2HG2 VAL 71 2.991 4.391 8.796 551 HG23 VAL 71 3HG2 VAL 71 2.087 5.606 7.891 552 H ALA 72 H ALA 72 0.265 1.121 9.463 553 HA ALA 72 HA ALA 72 1.961 1.372 11.739 554 HB1 ALA 72 1HB ALA 72 -0.489 1.469 11.919 555 HB2 ALA 72 2HB ALA 72 0.169 0.186 12.937 556 HB3 ALA 72 3HB ALA 72 -0.606 -0.215 11.402 557 H LEU 73 H LEU 73 1.179 -1.263 9.469 558 HA LEU 73 HA LEU 73 2.393 -3.450 10.708 559 HB2 LEU 73 2HB LEU 73 1.201 -4.065 8.786 560 HB3 LEU 73 1HB LEU 73 1.675 -2.623 7.908 561 HG LEU 73 HG LEU 73 3.990 -3.694 7.664 562 HD11 LEU 73 1HD1 LEU 73 3.844 -5.413 9.370 563 HD12 LEU 73 2HD1 LEU 73 4.147 -6.143 7.795 564 HD13 LEU 73 3HD1 LEU 73 2.529 -6.216 8.499 565 HD21 LEU 73 1HD2 LEU 73 2.400 -3.467 5.824 566 HD22 LEU 73 2HD2 LEU 73 1.686 -5.026 6.234 567 HD23 LEU 73 3HD2 LEU 73 3.357 -4.941 5.678 568 H VAL 74 H VAL 74 3.674 -1.019 8.466 569 HA VAL 74 HA VAL 74 6.338 -1.863 8.370 570 HB VAL 74 HB VAL 74 5.205 0.947 7.983 571 HG11 VAL 74 1HG1 VAL 74 7.964 -0.099 7.221 572 HG12 VAL 74 2HG1 VAL 74 7.615 1.102 8.465 573 HG13 VAL 74 3HG1 VAL 74 7.311 1.480 6.770 574 HG21 VAL 74 1HG2 VAL 74 5.931 -1.173 5.910 575 HG22 VAL 74 2HG2 VAL 74 5.356 0.456 5.546 576 HG23 VAL 74 3HG2 VAL 74 4.296 -0.692 6.365 577 H GLN 75 H GLN 75 4.741 0.507 10.560 578 HA GLN 75 HA GLN 75 7.147 1.298 11.894 579 HB2 GLN 75 2HB GLN 75 4.304 1.524 12.977 580 HB3 GLN 75 1HB GLN 75 5.707 2.450 13.501 581 HG2 GLN 75 2HG GLN 75 4.249 2.643 10.868 582 HG3 GLN 75 1HG GLN 75 4.342 3.863 12.123 583 HE21 GLN 75 1HE2 GLN 75 5.020 4.014 9.270 584 HE22 GLN 75 2HE2 GLN 75 6.667 4.530 9.193 585 H ARG 76 H ARG 76 4.936 -1.392 12.376 586 HA ARG 76 HA ARG 76 5.800 -2.121 15.014 587 HB2 ARG 76 2HB ARG 76 4.330 -3.665 12.838 588 HB3 ARG 76 1HB ARG 76 4.688 -4.351 14.421 589 HG2 ARG 76 2HG ARG 76 3.299 -2.697 15.526 590 HG3 ARG 76 1HG ARG 76 3.052 -1.829 14.011 591 HD2 ARG 76 2HD ARG 76 1.063 -3.114 14.511 592 HD3 ARG 76 1HD ARG 76 1.860 -3.830 13.110 593 HE ARG 76 HE ARG 76 2.495 -5.678 14.408 594 HH11 ARG 76 1HH1 ARG 76 0.586 -3.447 16.346 595 HH12 ARG 76 2HH1 ARG 76 0.243 -4.635 17.570 596 HH21 ARG 76 1HH2 ARG 76 1.986 -7.222 15.995 597 HH22 ARG 76 2HH2 ARG 76 1.030 -6.755 17.373 598 H LEU 77 H LEU 77 6.588 -3.345 11.702 599 HA LEU 77 HA LEU 77 8.502 -5.252 12.656 600 HB2 LEU 77 2HB LEU 77 9.091 -5.591 10.260 601 HB3 LEU 77 1HB LEU 77 7.392 -5.772 10.632 602 HG LEU 77 HG LEU 77 7.043 -3.428 9.677 603 HD11 LEU 77 1HD1 LEU 77 9.862 -3.788 8.628 604 HD12 LEU 77 2HD1 LEU 77 9.277 -2.521 9.722 605 HD13 LEU 77 3HD1 LEU 77 8.703 -2.583 8.053 606 HD21 LEU 77 1HD2 LEU 77 7.981 -5.619 7.804 607 HD22 LEU 77 2HD2 LEU 77 6.985 -4.230 7.350 608 HD23 LEU 77 3HD2 LEU 77 6.363 -5.424 8.486 609 H LYS 78 H LYS 78 8.732 -1.878 12.000 610 HA LYS 78 HA LYS 78 11.479 -1.476 11.584 611 HB2 LYS 78 2HB LYS 78 9.419 0.165 13.098 612 HB3 LYS 78 1HB LYS 78 11.057 0.737 12.851 613 HG2 LYS 78 2HG LYS 78 9.062 0.110 10.668 614 HG3 LYS 78 1HG LYS 78 9.431 1.723 11.260 615 HD2 LYS 78 2HD LYS 78 11.479 -0.123 9.975 616 HD3 LYS 78 1HD LYS 78 10.539 1.071 9.083 617 HE2 LYS 78 2HE LYS 78 11.530 2.868 10.463 618 HE3 LYS 78 1HE LYS 78 12.494 1.662 11.323 619 HZ1 LYS 78 1HZ LYS 78 13.727 2.788 9.554 620 HZ2 LYS 78 2HZ LYS 78 12.642 2.188 8.409 621 HZ3 LYS 78 3HZ LYS 78 13.616 1.125 9.282 622 H ALA 79 H ALA 79 9.666 -2.217 14.524 623 HA ALA 79 HA ALA 79 11.834 -1.820 16.366 624 HB1 ALA 79 1HB ALA 79 9.192 -3.301 16.738 625 HB2 ALA 79 2HB ALA 79 9.485 -1.596 17.091 626 HB3 ALA 79 3HB ALA 79 10.311 -2.841 18.027 627 H HIS 80 H HIS 80 10.785 -4.411 14.297 628 HA HIS 80 HA HIS 80 12.166 -6.542 15.734 629 HB2 HIS 80 2HB HIS 80 10.664 -6.534 13.075 630 HB3 HIS 80 1HB HIS 80 11.412 -7.969 13.775 631 HD1 HIS 80 HD1 HIS 80 9.743 -9.385 14.939 632 HD2 HIS 80 HD2 HIS 80 8.746 -5.370 15.176 633 HE1 HIS 80 HE1 HIS 80 7.555 -9.305 16.164 634 HE2 HIS 80 HE2 HIS 80 7.007 -6.853 16.340 635 HA PRO 81 HA PRO 81 16.089 -5.889 13.607 636 HB2 PRO 81 2HB PRO 81 16.695 -8.780 14.069 637 HB3 PRO 81 1HB PRO 81 17.494 -7.344 14.739 638 HG2 PRO 81 2HG PRO 81 15.982 -8.934 16.281 639 HG3 PRO 81 1HG PRO 81 16.030 -7.172 16.527 640 HD2 PRO 81 2HD PRO 81 13.915 -8.810 15.101 641 HD3 PRO 81 1HD PRO 81 13.715 -7.494 16.286 642 H GLU 82 H GLU 82 14.218 -8.777 12.904 643 HA GLU 82 HA GLU 82 14.146 -8.367 10.086 644 HB2 GLU 82 2HB GLU 82 16.422 -9.439 10.353 645 HB3 GLU 82 1HB GLU 82 15.653 -10.847 11.082 646 HG2 GLU 82 2HG GLU 82 14.441 -11.296 8.981 647 HG3 GLU 82 1HG GLU 82 15.140 -9.844 8.256 648 H GLN 83 H GLN 83 12.314 -9.337 9.325 649 HA GLN 83 HA GLN 83 10.468 -10.404 11.278 650 HB2 GLN 83 2HB GLN 83 10.258 -9.619 8.364 651 HB3 GLN 83 1HB GLN 83 8.912 -10.378 9.204 652 HG2 GLN 83 2HG GLN 83 10.229 -7.883 10.303 653 HG3 GLN 83 1HG GLN 83 8.956 -7.797 9.076 654 HE21 GLN 83 1HE2 GLN 83 6.841 -8.390 9.647 655 HE22 GLN 83 2HE2 GLN 83 6.343 -8.561 11.290 656 H GLY 84 H GLY 84 11.508 -11.599 8.064 657 HA2 GLY 84 2HA GLY 84 11.697 -14.348 9.059 658 HA3 GLY 84 1HA GLY 84 10.472 -14.052 7.824 659 H GLY 85 H GLY 85 12.311 -15.842 7.183 660 HA2 GLY 85 2HA GLY 85 14.510 -14.665 5.658 661 HA3 GLY 85 1HA GLY 85 14.079 -16.368 5.774 662 H ALA 86 H ALA 86 13.356 -17.223 3.927 663 HA ALA 86 HA ALA 86 11.386 -16.002 2.252 664 HB1 ALA 86 1HB ALA 86 14.202 -16.210 1.094 665 HB2 ALA 86 2HB ALA 86 13.352 -14.709 1.465 666 HB3 ALA 86 3HB ALA 86 12.743 -15.773 0.196 667 H ALA 87 H ALA 87 10.808 -17.379 0.435 668 HA ALA 87 HA ALA 87 11.245 -20.228 0.875 669 HB1 ALA 87 1HB ALA 87 9.608 -20.524 -0.954 670 HB2 ALA 87 2HB ALA 87 9.606 -18.779 -1.242 671 HB3 ALA 87 3HB ALA 87 8.995 -19.423 0.282 672 H LEU 88 H LEU 88 12.127 -21.623 -0.767 673 HA LEU 88 HA LEU 88 14.478 -20.802 -2.076 674 HB2 LEU 88 2HB LEU 88 13.759 -23.157 -1.319 675 HB3 LEU 88 1HB LEU 88 12.787 -23.251 -2.770 676 HG LEU 88 HG LEU 88 14.951 -24.479 -2.917 677 HD11 LEU 88 1HD1 LEU 88 14.816 -22.240 -4.937 678 HD12 LEU 88 2HD1 LEU 88 13.900 -23.746 -4.992 679 HD13 LEU 88 3HD1 LEU 88 15.655 -23.784 -5.122 680 HD21 LEU 88 1HD2 LEU 88 16.348 -23.029 -1.538 681 HD22 LEU 88 2HD2 LEU 88 16.289 -21.763 -2.770 682 HD23 LEU 88 3HD2 LEU 88 17.086 -23.302 -3.115 683 H GLU 89 H GLU 89 14.337 -19.209 -3.588 684 HA GLU 89 HA GLU 89 12.206 -19.304 -5.651 685 HB2 GLU 89 2HB GLU 89 12.124 -17.383 -3.990 686 HB3 GLU 89 1HB GLU 89 13.679 -16.838 -4.609 687 HG2 GLU 89 2HG GLU 89 11.844 -15.535 -5.583 688 HG3 GLU 89 1HG GLU 89 12.677 -16.463 -6.831 689 H282 PNS 101 3H28 PNS 136 0.707 -9.395 -3.078 690 H281 PNS 101 2H28 PNS 136 1.257 -8.760 -4.629 691 H303 PNS 101 3H51 PNS 136 4.412 -9.634 -2.977 692 H302 PNS 101 2H51 PNS 136 3.539 -8.367 -3.833 693 H301 PNS 101 1H51 PNS 136 3.001 -8.875 -2.226 694 H313 PNS 101 3H52 PNS 136 2.497 -11.459 -5.607 695 H312 PNS 101 2H52 PNS 136 4.110 -11.188 -4.960 696 H311 PNS 101 1H52 PNS 136 3.259 -9.875 -5.797 697 H32 PNS 101 H32 PNS 136 1.948 -11.207 -1.934 698 H33 PNS 101 H33 PNS 136 0.720 -12.209 -3.557 699 H36 PNS 101 H36 PNS 136 3.241 -13.815 -3.475 700 H372 PNS 101 3H37 PNS 136 5.442 -14.213 -1.727 701 H371 PNS 101 2H37 PNS 136 4.953 -15.244 -3.068 702 H382 PNS 101 3H38 PNS 136 6.690 -12.753 -3.224 703 H381 PNS 101 2H38 PNS 136 7.234 -14.415 -3.445 704 H41 PNS 101 H41 PNS 136 6.834 -11.768 -5.118 705 H422 PNS 101 3H42 PNS 136 5.198 -12.242 -7.337 706 H421 PNS 101 2H42 PNS 136 6.802 -12.889 -7.687 707 H431 PNS 101 2H43 PNS 136 6.184 -10.027 -6.866 708 H432 PNS 101 3H43 PNS 136 7.796 -10.675 -7.218 709 H44 PNS 101 H44 PNS 136 6.933 -9.201 -9.439 Start of MODEL 12 1 H1 MET 1 1H MET 1 2.252 15.598 3.183 2 H2 MET 1 2H MET 1 3.353 14.443 2.632 3 H3 MET 1 3H MET 1 1.701 14.200 2.411 4 HA MET 1 HA MET 1 1.544 16.021 0.904 5 HB2 MET 1 2HB MET 1 3.541 17.304 0.214 6 HB3 MET 1 1HB MET 1 3.257 17.459 1.941 7 HG2 MET 1 2HG MET 1 5.036 15.816 2.383 8 HG3 MET 1 1HG MET 1 5.313 15.661 0.648 9 HE1 MET 1 1HE MET 1 5.588 18.092 3.774 10 HE2 MET 1 2HE MET 1 4.534 19.002 2.688 11 HE3 MET 1 3HE MET 1 6.178 19.560 3.000 12 H LEU 2 H LEU 2 2.693 13.056 1.200 13 HA LEU 2 HA LEU 2 3.226 12.658 -1.675 14 HB2 LEU 2 2HB LEU 2 4.969 11.009 -1.199 15 HB3 LEU 2 1HB LEU 2 5.403 12.570 -0.541 16 HG LEU 2 HG LEU 2 4.304 10.309 1.189 17 HD11 LEU 2 1HD1 LEU 2 7.223 11.013 0.754 18 HD12 LEU 2 2HD1 LEU 2 6.404 9.579 0.137 19 HD13 LEU 2 3HD1 LEU 2 6.582 9.804 1.872 20 HD21 LEU 2 1HD2 LEU 2 4.076 12.553 2.184 21 HD22 LEU 2 2HD2 LEU 2 5.803 12.842 1.966 22 HD23 LEU 2 3HD2 LEU 2 5.248 11.584 3.075 23 H GLU 3 H GLU 3 0.992 12.258 0.477 24 HA GLU 3 HA GLU 3 0.366 9.447 0.389 25 HB2 GLU 3 2HB GLU 3 -1.461 11.800 1.065 26 HB3 GLU 3 1HB GLU 3 -1.818 10.101 1.360 27 HG2 GLU 3 2HG GLU 3 -1.172 11.004 3.459 28 HG3 GLU 3 1HG GLU 3 0.194 10.043 2.901 29 H SER 4 H SER 4 -0.697 12.362 -1.283 30 HA SER 4 HA SER 4 -2.506 11.172 -3.093 31 HB2 SER 4 2HB SER 4 -2.178 13.314 -4.378 32 HB3 SER 4 1HB SER 4 -2.551 13.562 -2.671 33 HG SER 4 HG SER 4 -0.765 14.597 -2.530 34 H LYS 5 H LYS 5 1.002 11.428 -3.058 35 HA LYS 5 HA LYS 5 1.408 10.990 -5.864 36 HB2 LYS 5 2HB LYS 5 2.970 12.148 -4.086 37 HB3 LYS 5 1HB LYS 5 3.526 10.523 -3.727 38 HG2 LYS 5 2HG LYS 5 3.635 11.759 -6.500 39 HG3 LYS 5 1HG LYS 5 4.957 11.878 -5.343 40 HD2 LYS 5 2HD LYS 5 3.840 9.250 -6.398 41 HD3 LYS 5 1HD LYS 5 5.245 10.073 -7.079 42 HE2 LYS 5 2HE LYS 5 5.039 9.122 -4.210 43 HE3 LYS 5 1HE LYS 5 5.812 8.216 -5.506 44 HZ1 LYS 5 1HZ LYS 5 7.396 9.468 -4.153 45 HZ2 LYS 5 2HZ LYS 5 6.648 10.914 -4.598 46 HZ3 LYS 5 3HZ LYS 5 7.419 9.974 -5.766 47 H LEU 6 H LEU 6 1.556 8.901 -2.924 48 HA LEU 6 HA LEU 6 2.408 6.551 -4.265 49 HB2 LEU 6 2HB LEU 6 1.903 5.322 -2.234 50 HB3 LEU 6 1HB LEU 6 2.735 6.815 -1.870 51 HG LEU 6 HG LEU 6 0.233 7.686 -1.398 52 HD11 LEU 6 1HD1 LEU 6 -1.182 5.977 -0.342 53 HD12 LEU 6 2HD1 LEU 6 -0.035 4.722 -0.818 54 HD13 LEU 6 3HD1 LEU 6 -0.911 5.631 -2.050 55 HD21 LEU 6 1HD2 LEU 6 2.065 7.743 0.226 56 HD22 LEU 6 2HD2 LEU 6 1.804 6.039 0.609 57 HD23 LEU 6 3HD2 LEU 6 0.560 7.234 0.990 58 H ILE 7 H ILE 7 -0.798 7.886 -3.585 59 HA ILE 7 HA ILE 7 -2.324 5.705 -4.610 60 HB ILE 7 HB ILE 7 -2.998 8.663 -4.376 61 HG12 ILE 7 2HG1 ILE 7 -3.834 6.342 -2.578 62 HG13 ILE 7 1HG1 ILE 7 -2.527 7.467 -2.214 63 HG21 ILE 7 1HG2 ILE 7 -4.906 6.360 -4.943 64 HG22 ILE 7 2HG2 ILE 7 -4.459 7.637 -6.076 65 HG23 ILE 7 3HG2 ILE 7 -5.384 8.030 -4.622 66 HD11 ILE 7 1HD1 ILE 7 -4.542 8.053 -1.009 67 HD12 ILE 7 2HD1 ILE 7 -5.442 8.182 -2.520 68 HD13 ILE 7 3HD1 ILE 7 -4.132 9.316 -2.171 69 H ASN 8 H ASN 8 -1.338 8.832 -6.040 70 HA ASN 8 HA ASN 8 -2.547 8.554 -8.537 71 HB2 ASN 8 2HB ASN 8 -1.717 10.701 -7.590 72 HB3 ASN 8 1HB ASN 8 -0.058 10.173 -7.845 73 HD21 ASN 8 1HD2 ASN 8 0.773 10.163 -9.957 74 HD22 ASN 8 2HD2 ASN 8 -0.018 10.964 -11.265 75 H HIS 9 H HIS 9 0.499 7.334 -7.369 76 HA HIS 9 HA HIS 9 1.903 6.728 -9.673 77 HB2 HIS 9 2HB HIS 9 2.793 6.469 -7.377 78 HB3 HIS 9 1HB HIS 9 1.706 5.115 -7.089 79 HD1 HIS 9 HD1 HIS 9 5.092 5.853 -8.129 80 HD2 HIS 9 HD2 HIS 9 2.359 2.839 -8.927 81 HE1 HIS 9 HE1 HIS 9 6.454 3.884 -8.876 82 HE2 HIS 9 HE2 HIS 9 4.784 2.019 -9.108 83 H ILE 10 H ILE 10 -0.147 4.324 -7.892 84 HA ILE 10 HA ILE 10 -0.310 2.645 -10.251 85 HB ILE 10 HB ILE 10 -1.860 1.211 -8.770 86 HG12 ILE 10 2HG1 ILE 10 -1.451 1.587 -6.232 87 HG13 ILE 10 1HG1 ILE 10 -0.947 3.212 -6.645 88 HG21 ILE 10 1HG2 ILE 10 1.014 1.635 -7.881 89 HG22 ILE 10 2HG2 ILE 10 0.469 0.610 -9.209 90 HG23 ILE 10 3HG2 ILE 10 0.041 0.198 -7.548 91 HD11 ILE 10 1HD1 ILE 10 -3.670 2.020 -7.120 92 HD12 ILE 10 2HD1 ILE 10 -3.171 3.668 -7.506 93 HD13 ILE 10 3HD1 ILE 10 -3.218 3.133 -5.828 94 H ALA 11 H ALA 11 -2.286 5.124 -8.832 95 HA ALA 11 HA ALA 11 -4.832 4.565 -9.811 96 HB1 ALA 11 1HB ALA 11 -5.281 6.977 -9.619 97 HB2 ALA 11 2HB ALA 11 -3.548 7.302 -9.527 98 HB3 ALA 11 3HB ALA 11 -4.346 6.413 -8.231 99 H THR 12 H THR 12 -1.949 5.522 -11.477 100 HA THR 12 HA THR 12 -3.018 6.558 -13.871 101 HB THR 12 HB THR 12 -0.419 5.015 -13.560 102 HG1 THR 12 HG1 THR 12 -1.057 7.062 -12.200 103 HG21 THR 12 1HG2 THR 12 -1.191 7.208 -15.538 104 HG22 THR 12 2HG2 THR 12 -1.041 5.497 -15.935 105 HG23 THR 12 3HG2 THR 12 0.386 6.405 -15.437 106 H GLN 13 H GLN 13 -2.111 3.234 -12.911 107 HA GLN 13 HA GLN 13 -3.082 2.118 -15.453 108 HB2 GLN 13 2HB GLN 13 -2.057 0.000 -14.695 109 HB3 GLN 13 1HB GLN 13 -0.904 1.328 -14.637 110 HG2 GLN 13 2HG GLN 13 -1.157 1.493 -12.209 111 HG3 GLN 13 1HG GLN 13 -2.386 0.234 -12.227 112 HE21 GLN 13 1HE2 GLN 13 1.034 0.904 -12.514 113 HE22 GLN 13 2HE2 GLN 13 1.568 -0.729 -12.356 114 H PHE 14 H PHE 14 -4.190 2.506 -12.208 115 HA PHE 14 HA PHE 14 -6.033 0.238 -12.323 116 HB2 PHE 14 2HB PHE 14 -4.597 1.643 -10.124 117 HB3 PHE 14 1HB PHE 14 -6.279 1.289 -9.737 118 HD1 PHE 14 HD1 PHE 14 -5.598 -0.282 -7.934 119 HD2 PHE 14 HD2 PHE 14 -4.381 -0.943 -11.997 120 HE1 PHE 14 HE1 PHE 14 -5.043 -2.625 -7.414 121 HE2 PHE 14 HE2 PHE 14 -3.830 -3.267 -11.447 122 HZ PHE 14 HZ PHE 14 -4.161 -4.111 -9.160 123 H LEU 15 H LEU 15 -6.065 3.744 -12.219 124 HA LEU 15 HA LEU 15 -9.046 3.720 -12.105 125 HB2 LEU 15 2HB LEU 15 -7.249 5.857 -10.910 126 HB3 LEU 15 1HB LEU 15 -8.986 5.707 -10.724 127 HG LEU 15 HG LEU 15 -6.916 3.825 -9.509 128 HD11 LEU 15 1HD1 LEU 15 -6.887 6.122 -8.564 129 HD12 LEU 15 2HD1 LEU 15 -7.342 4.887 -7.405 130 HD13 LEU 15 3HD1 LEU 15 -8.582 5.939 -8.094 131 HD21 LEU 15 1HD2 LEU 15 -9.035 2.656 -9.924 132 HD22 LEU 15 2HD2 LEU 15 -9.934 3.915 -9.070 133 HD23 LEU 15 3HD2 LEU 15 -8.782 2.896 -8.198 134 H ASP 16 H ASP 16 -6.950 3.980 -14.374 135 HA ASP 16 HA ASP 16 -6.925 4.935 -16.434 136 HB2 ASP 16 2HB ASP 16 -9.485 5.013 -16.098 137 HB3 ASP 16 1HB ASP 16 -9.292 6.678 -15.587 138 H GLY 17 H GLY 17 -5.592 6.185 -13.993 139 HA2 GLY 17 2HA GLY 17 -4.044 7.900 -13.784 140 HA3 GLY 17 1HA GLY 17 -4.644 8.635 -15.256 141 H GLU 18 H GLU 18 -7.120 7.897 -13.047 142 HA GLU 18 HA GLU 18 -7.244 10.703 -12.088 143 HB2 GLU 18 2HB GLU 18 -9.531 10.719 -12.469 144 HB3 GLU 18 1HB GLU 18 -9.100 9.527 -13.693 145 HG2 GLU 18 2HG GLU 18 -9.665 7.729 -12.007 146 HG3 GLU 18 1HG GLU 18 -10.277 8.993 -10.946 147 H LYS 19 H LYS 19 -7.798 11.005 -9.866 148 HA LYS 19 HA LYS 19 -7.486 8.634 -8.110 149 HB2 LYS 19 2HB LYS 19 -7.501 11.576 -7.370 150 HB3 LYS 19 1HB LYS 19 -7.185 10.219 -6.288 151 HG2 LYS 19 2HG LYS 19 -5.229 9.637 -7.846 152 HG3 LYS 19 1HG LYS 19 -5.451 11.244 -8.541 153 HD2 LYS 19 2HD LYS 19 -4.954 10.690 -5.601 154 HD3 LYS 19 1HD LYS 19 -3.685 11.103 -6.749 155 HE2 LYS 19 2HE LYS 19 -4.202 13.123 -5.572 156 HE3 LYS 19 1HE LYS 19 -4.942 13.303 -7.160 157 HZ1 LYS 19 1HZ LYS 19 -7.074 12.763 -6.197 158 HZ2 LYS 19 2HZ LYS 19 -6.373 14.031 -5.337 159 HZ3 LYS 19 3HZ LYS 19 -6.371 12.471 -4.692 160 H ASP 20 H ASP 20 -9.394 7.670 -7.936 161 HA ASP 20 HA ASP 20 -11.610 8.936 -6.616 162 HB2 ASP 20 2HB ASP 20 -12.148 9.677 -8.879 163 HB3 ASP 20 1HB ASP 20 -11.915 8.051 -9.517 164 H GLY 21 H GLY 21 -12.687 7.481 -5.455 165 HA2 GLY 21 2HA GLY 21 -13.536 5.490 -4.680 166 HA3 GLY 21 1HA GLY 21 -12.857 4.661 -6.067 167 H LEU 22 H LEU 22 -10.146 5.663 -5.626 168 HA LEU 22 HA LEU 22 -9.312 4.030 -3.323 169 HB2 LEU 22 2HB LEU 22 -8.526 3.604 -5.816 170 HB3 LEU 22 1HB LEU 22 -7.455 4.954 -5.546 171 HG LEU 22 HG LEU 22 -7.425 2.492 -3.753 172 HD11 LEU 22 1HD1 LEU 22 -5.749 2.936 -6.243 173 HD12 LEU 22 2HD1 LEU 22 -7.026 1.733 -6.039 174 HD13 LEU 22 3HD1 LEU 22 -5.555 1.620 -5.078 175 HD21 LEU 22 1HD2 LEU 22 -5.114 3.199 -3.197 176 HD22 LEU 22 2HD2 LEU 22 -6.289 4.438 -2.768 177 HD23 LEU 22 3HD2 LEU 22 -5.304 4.630 -4.219 178 H ASP 23 H ASP 23 -9.250 5.391 -1.673 179 HA ASP 23 HA ASP 23 -7.249 7.575 -1.787 180 HB2 ASP 23 2HB ASP 23 -9.513 7.288 0.257 181 HB3 ASP 23 1HB ASP 23 -8.293 8.557 0.233 182 H SER 24 H SER 24 -6.025 7.719 0.251 183 HA SER 24 HA SER 24 -4.885 5.304 1.098 184 HB2 SER 24 2HB SER 24 -3.851 6.769 2.881 185 HB3 SER 24 1HB SER 24 -3.644 7.370 1.240 186 HG SER 24 HG SER 24 -4.350 8.903 2.915 187 H GLN 25 H GLN 25 -7.362 7.389 2.610 188 HA GLN 25 HA GLN 25 -7.576 5.866 5.045 189 HB2 GLN 25 2HB GLN 25 -9.465 8.009 3.970 190 HB3 GLN 25 1HB GLN 25 -9.375 7.432 5.630 191 HG2 GLN 25 2HG GLN 25 -7.072 8.356 5.800 192 HG3 GLN 25 1HG GLN 25 -7.217 8.987 4.164 193 HE21 GLN 25 1HE2 GLN 25 -8.793 10.649 3.779 194 HE22 GLN 25 2HE2 GLN 25 -9.331 11.669 5.069 195 H THR 26 H THR 26 -8.995 5.613 1.940 196 HA THR 26 HA THR 26 -11.556 4.553 2.682 197 HB THR 26 HB THR 26 -10.134 4.613 -0.020 198 HG1 THR 26 HG1 THR 26 -11.392 6.486 -0.320 199 HG21 THR 26 1HG2 THR 26 -11.963 2.965 -0.037 200 HG22 THR 26 2HG2 THR 26 -12.399 4.388 -0.990 201 HG23 THR 26 3HG2 THR 26 -13.068 4.167 0.633 202 HA PRO 27 HA PRO 27 -10.190 0.353 3.457 203 HB2 PRO 27 2HB PRO 27 -12.595 -0.987 3.137 204 HB3 PRO 27 1HB PRO 27 -12.180 -0.036 4.581 205 HG2 PRO 27 2HG PRO 27 -13.844 0.776 2.216 206 HG3 PRO 27 1HG PRO 27 -14.147 1.051 3.944 207 HD2 PRO 27 2HD PRO 27 -13.152 2.997 2.370 208 HD3 PRO 27 1HD PRO 27 -12.640 2.840 4.062 209 H LEU 28 H LEU 28 -8.858 -0.354 1.890 210 HA LEU 28 HA LEU 28 -9.581 -0.592 -0.876 211 HB2 LEU 28 2HB LEU 28 -7.114 -1.663 0.558 212 HB3 LEU 28 1HB LEU 28 -7.289 -1.408 -1.169 213 HG LEU 28 HG LEU 28 -7.159 0.782 0.951 214 HD11 LEU 28 1HD1 LEU 28 -5.112 -0.010 -1.142 215 HD12 LEU 28 2HD1 LEU 28 -4.990 -0.268 0.600 216 HD13 LEU 28 3HD1 LEU 28 -4.994 1.371 -0.046 217 HD21 LEU 28 1HD2 LEU 28 -8.620 1.489 -0.880 218 HD22 LEU 28 2HD2 LEU 28 -7.375 1.089 -2.065 219 HD23 LEU 28 3HD2 LEU 28 -7.108 2.395 -0.906 220 H PHE 29 H PHE 29 -9.723 -2.601 1.895 221 HA PHE 29 HA PHE 29 -9.710 -5.152 0.551 222 HB2 PHE 29 2HB PHE 29 -9.280 -4.248 3.228 223 HB3 PHE 29 1HB PHE 29 -10.745 -5.218 3.321 224 HD1 PHE 29 HD1 PHE 29 -7.374 -5.282 1.755 225 HD2 PHE 29 HD2 PHE 29 -10.452 -7.545 3.676 226 HE1 PHE 29 HE1 PHE 29 -5.989 -7.269 1.661 227 HE2 PHE 29 HE2 PHE 29 -9.036 -9.551 3.578 228 HZ PHE 29 HZ PHE 29 -6.798 -9.425 2.555 229 H GLU 30 H GLU 30 -12.124 -3.341 2.451 230 HA GLU 30 HA GLU 30 -14.220 -5.217 2.108 231 HB2 GLU 30 2HB GLU 30 -14.358 -2.291 2.946 232 HB3 GLU 30 1HB GLU 30 -15.641 -3.479 3.176 233 HG2 GLU 30 2HG GLU 30 -14.164 -4.793 4.650 234 HG3 GLU 30 1HG GLU 30 -12.881 -3.607 4.429 235 H LEU 31 H LEU 31 -13.139 -2.573 0.168 236 HA LEU 31 HA LEU 31 -15.569 -2.635 -1.516 237 HB2 LEU 31 2HB LEU 31 -13.221 -0.728 -1.734 238 HB3 LEU 31 1HB LEU 31 -14.807 -0.565 -2.474 239 HG LEU 31 HG LEU 31 -14.117 -0.279 0.471 240 HD11 LEU 31 1HD1 LEU 31 -13.471 1.616 -0.893 241 HD12 LEU 31 2HD1 LEU 31 -14.782 2.032 0.209 242 HD13 LEU 31 3HD1 LEU 31 -15.123 1.773 -1.505 243 HD21 LEU 31 1HD2 LEU 31 -16.877 -0.158 -0.810 244 HD22 LEU 31 2HD2 LEU 31 -16.495 0.308 0.850 245 HD23 LEU 31 3HD2 LEU 31 -16.288 -1.366 0.343 246 H ASN 32 H ASN 32 -12.310 -3.761 -1.368 247 HA ASN 32 HA ASN 32 -10.967 -4.960 -2.727 248 HB2 ASN 32 2HB ASN 32 -12.938 -6.436 -2.940 249 HB3 ASN 32 1HB ASN 32 -13.565 -5.471 -4.268 250 HD21 ASN 32 1HD2 ASN 32 -12.693 -5.764 -6.332 251 HD22 ASN 32 2HD2 ASN 32 -11.607 -7.049 -6.728 252 H ILE 33 H ILE 33 -10.606 -2.396 -2.978 253 HA ILE 33 HA ILE 33 -10.944 -1.368 -5.652 254 HB ILE 33 HB ILE 33 -9.148 -0.194 -3.485 255 HG12 ILE 33 2HG1 ILE 33 -12.095 0.484 -3.920 256 HG13 ILE 33 1HG1 ILE 33 -11.552 -0.637 -2.677 257 HG21 ILE 33 1HG2 ILE 33 -10.589 1.046 -5.867 258 HG22 ILE 33 2HG2 ILE 33 -8.854 0.738 -5.751 259 HG23 ILE 33 3HG2 ILE 33 -9.614 1.934 -4.694 260 HD11 ILE 33 1HD1 ILE 33 -11.991 1.583 -1.801 261 HD12 ILE 33 2HD1 ILE 33 -10.771 2.263 -2.878 262 HD13 ILE 33 3HD1 ILE 33 -10.299 1.135 -1.603 263 H VAL 34 H VAL 34 -8.080 -2.196 -3.644 264 HA VAL 34 HA VAL 34 -6.414 -2.338 -6.070 265 HB VAL 34 HB VAL 34 -5.555 -0.997 -4.119 266 HG11 VAL 34 1HG1 VAL 34 -4.723 -2.095 -2.084 267 HG12 VAL 34 2HG1 VAL 34 -5.296 -3.657 -2.671 268 HG13 VAL 34 3HG1 VAL 34 -6.456 -2.385 -2.280 269 HG21 VAL 34 1HG2 VAL 34 -3.962 -1.888 -5.776 270 HG22 VAL 34 2HG2 VAL 34 -3.815 -3.387 -4.859 271 HG23 VAL 34 3HG2 VAL 34 -3.225 -1.872 -4.170 272 H ASP 35 H ASP 35 -5.521 -4.225 -6.747 273 HA ASP 35 HA ASP 35 -6.500 -6.727 -5.580 274 HB2 ASP 35 2HB ASP 35 -5.156 -6.070 -8.225 275 HB3 ASP 35 1HB ASP 35 -5.373 -7.730 -7.692 276 H SER 36 H SER 36 -5.121 -8.500 -5.507 277 HA SER 36 HA SER 36 -2.956 -8.442 -3.767 278 HB2 SER 36 2HB SER 36 -4.275 -10.381 -3.894 279 HB3 SER 36 1HB SER 36 -4.238 -10.431 -5.649 280 H ALA 37 H ALA 37 -3.035 -8.338 -7.271 281 HA ALA 37 HA ALA 37 -0.343 -8.948 -7.869 282 HB1 ALA 37 1HB ALA 37 -2.139 -9.079 -9.531 283 HB2 ALA 37 2HB ALA 37 -0.839 -8.031 -10.098 284 HB3 ALA 37 3HB ALA 37 -2.338 -7.324 -9.486 285 H ALA 38 H ALA 38 -1.968 -5.808 -7.316 286 HA ALA 38 HA ALA 38 0.273 -4.210 -8.182 287 HB1 ALA 38 1HB ALA 38 -2.278 -3.357 -6.787 288 HB2 ALA 38 2HB ALA 38 -2.023 -3.430 -8.528 289 HB3 ALA 38 3HB ALA 38 -1.109 -2.278 -7.554 290 H ILE 39 H ILE 39 -0.556 -5.688 -5.223 291 HA ILE 39 HA ILE 39 0.235 -3.832 -3.289 292 HB ILE 39 HB ILE 39 0.286 -6.879 -3.225 293 HG12 ILE 39 2HG1 ILE 39 -1.946 -5.952 -3.579 294 HG13 ILE 39 1HG1 ILE 39 -1.845 -6.601 -1.951 295 HG21 ILE 39 1HG2 ILE 39 0.388 -6.731 -0.737 296 HG22 ILE 39 2HG2 ILE 39 0.601 -4.982 -0.849 297 HG23 ILE 39 3HG2 ILE 39 1.847 -6.061 -1.484 298 HD11 ILE 39 1HD1 ILE 39 -3.085 -4.530 -2.007 299 HD12 ILE 39 2HD1 ILE 39 -1.705 -3.682 -2.704 300 HD13 ILE 39 3HD1 ILE 39 -1.612 -4.330 -1.061 301 H PHE 40 H PHE 40 2.178 -6.167 -5.127 302 HA PHE 40 HA PHE 40 4.624 -5.968 -3.795 303 HB2 PHE 40 2HB PHE 40 4.284 -7.668 -5.517 304 HB3 PHE 40 1HB PHE 40 4.068 -6.436 -6.759 305 HD1 PHE 40 HD1 PHE 40 6.589 -7.627 -4.243 306 HD2 PHE 40 HD2 PHE 40 5.970 -5.778 -8.060 307 HE1 PHE 40 HE1 PHE 40 9.014 -7.595 -4.631 308 HE2 PHE 40 HE2 PHE 40 8.404 -5.763 -8.436 309 HZ PHE 40 HZ PHE 40 9.925 -6.670 -6.724 310 H ASP 41 H ASP 41 3.213 -3.819 -6.238 311 HA ASP 41 HA ASP 41 5.543 -2.210 -6.673 312 HB2 ASP 41 2HB ASP 41 3.707 -2.319 -8.321 313 HB3 ASP 41 1HB ASP 41 2.582 -1.638 -7.153 314 H LEU 42 H LEU 42 2.689 -1.995 -4.576 315 HA LEU 42 HA LEU 42 3.020 0.615 -3.606 316 HB2 LEU 42 2HB LEU 42 1.657 -1.738 -2.260 317 HB3 LEU 42 1HB LEU 42 1.472 -0.061 -1.771 318 HG LEU 42 HG LEU 42 0.546 -1.265 -4.416 319 HD11 LEU 42 1HD1 LEU 42 -1.720 -0.853 -3.599 320 HD12 LEU 42 2HD1 LEU 42 -1.082 -0.262 -2.062 321 HD13 LEU 42 3HD1 LEU 42 -0.848 -1.948 -2.529 322 HD21 LEU 42 1HD2 LEU 42 0.266 1.597 -3.428 323 HD22 LEU 42 2HD2 LEU 42 -0.483 0.926 -4.877 324 HD23 LEU 42 3HD2 LEU 42 1.269 1.045 -4.774 325 H VAL 43 H VAL 43 4.565 -2.375 -2.612 326 HA VAL 43 HA VAL 43 5.336 -1.500 -0.003 327 HB VAL 43 HB VAL 43 6.582 -3.478 0.267 328 HG11 VAL 43 1HG1 VAL 43 4.392 -4.246 -1.662 329 HG12 VAL 43 2HG1 VAL 43 4.165 -3.849 0.033 330 HG13 VAL 43 3HG1 VAL 43 5.101 -5.267 -0.412 331 HG21 VAL 43 1HG2 VAL 43 6.769 -3.852 -2.745 332 HG22 VAL 43 2HG2 VAL 43 7.366 -4.995 -1.542 333 HG23 VAL 43 3HG2 VAL 43 8.086 -3.390 -1.673 334 H ASP 44 H ASP 44 6.930 -1.415 -3.207 335 HA ASP 44 HA ASP 44 9.530 -0.792 -2.312 336 HB2 ASP 44 2HB ASP 44 8.112 -0.500 -4.976 337 HB3 ASP 44 1HB ASP 44 9.673 0.294 -4.790 338 H PHE 45 H PHE 45 6.752 1.262 -2.853 339 HA PHE 45 HA PHE 45 7.985 3.776 -2.603 340 HB2 PHE 45 2HB PHE 45 5.614 3.462 -3.278 341 HB3 PHE 45 1HB PHE 45 5.224 2.886 -1.661 342 HD1 PHE 45 HD1 PHE 45 6.307 5.870 -3.610 343 HD2 PHE 45 HD2 PHE 45 4.821 4.466 0.160 344 HE1 PHE 45 HE1 PHE 45 5.904 8.174 -2.880 345 HE2 PHE 45 HE2 PHE 45 4.425 6.792 0.852 346 HZ PHE 45 HZ PHE 45 4.968 8.639 -0.679 347 H LEU 46 H LEU 46 6.413 1.728 -0.113 348 HA LEU 46 HA LEU 46 7.083 3.344 2.105 349 HB2 LEU 46 2HB LEU 46 6.303 0.410 1.974 350 HB3 LEU 46 1HB LEU 46 6.431 1.318 3.472 351 HG LEU 46 HG LEU 46 4.422 1.788 1.233 352 HD11 LEU 46 1HD1 LEU 46 3.990 0.857 4.086 353 HD12 LEU 46 2HD1 LEU 46 3.901 -0.147 2.636 354 HD13 LEU 46 3HD1 LEU 46 2.734 1.149 2.876 355 HD21 LEU 46 1HD2 LEU 46 3.422 3.541 2.648 356 HD22 LEU 46 2HD2 LEU 46 5.057 3.965 2.153 357 HD23 LEU 46 3HD2 LEU 46 4.758 3.390 3.796 358 H ARG 47 H ARG 47 8.879 0.769 0.499 359 HA ARG 47 HA ARG 47 10.698 0.288 2.701 360 HB2 ARG 47 2HB ARG 47 10.462 -0.749 -0.134 361 HB3 ARG 47 1HB ARG 47 11.992 -0.962 0.715 362 HG2 ARG 47 2HG ARG 47 10.571 -2.958 0.917 363 HG3 ARG 47 1HG ARG 47 10.891 -2.224 2.484 364 HD2 ARG 47 2HD ARG 47 8.497 -1.017 1.699 365 HD3 ARG 47 1HD ARG 47 8.338 -2.648 1.085 366 HE ARG 47 HE ARG 47 8.381 -3.487 3.260 367 HH11 ARG 47 1HH1 ARG 47 8.652 0.019 3.395 368 HH12 ARG 47 2HH1 ARG 47 8.275 0.100 5.079 369 HH21 ARG 47 1HH2 ARG 47 7.985 -3.376 5.460 370 HH22 ARG 47 2HH2 ARG 47 7.900 -1.838 6.256 371 H GLN 48 H GLN 48 10.542 2.354 -0.024 372 HA GLN 48 HA GLN 48 13.256 3.278 -0.072 373 HB2 GLN 48 2HB GLN 48 11.800 3.334 -2.055 374 HB3 GLN 48 1HB GLN 48 10.658 4.375 -1.219 375 HG2 GLN 48 2HG GLN 48 12.406 6.159 -1.146 376 HG3 GLN 48 1HG GLN 48 13.466 5.105 -2.083 377 HE21 GLN 48 1HE2 GLN 48 9.979 5.347 -2.617 378 HE22 GLN 48 2HE2 GLN 48 10.099 6.076 -4.174 379 H GLU 49 H GLU 49 10.141 4.445 1.250 380 HA GLU 49 HA GLU 49 11.216 6.908 2.281 381 HB2 GLU 49 2HB GLU 49 8.507 5.625 2.843 382 HB3 GLU 49 1HB GLU 49 8.956 7.287 3.208 383 HG2 GLU 49 2HG GLU 49 8.564 6.030 0.486 384 HG3 GLU 49 1HG GLU 49 7.606 7.309 1.218 385 H SER 50 H SER 50 10.195 3.836 3.717 386 HA SER 50 HA SER 50 10.842 4.621 6.425 387 HB2 SER 50 2HB SER 50 10.107 1.857 5.375 388 HB3 SER 50 1HB SER 50 10.083 2.385 7.056 389 HG SER 50 HG SER 50 8.528 4.066 6.150 390 H LYS 51 H LYS 51 12.661 3.494 3.801 391 HA LYS 51 HA LYS 51 14.856 3.061 3.499 392 HB2 LYS 51 2HB LYS 51 15.243 3.701 6.456 393 HB3 LYS 51 1HB LYS 51 16.467 3.786 5.196 394 HG2 LYS 51 2HG LYS 51 14.024 5.587 5.386 395 HG3 LYS 51 1HG LYS 51 15.646 6.014 5.926 396 HD2 LYS 51 2HD LYS 51 16.492 5.905 3.652 397 HD3 LYS 51 1HD LYS 51 14.941 5.298 3.063 398 HE2 LYS 51 2HE LYS 51 15.262 7.702 2.564 399 HE3 LYS 51 1HE LYS 51 13.865 7.429 3.603 400 HZ1 LYS 51 1HZ LYS 51 15.274 8.052 5.508 401 HZ2 LYS 51 2HZ LYS 51 15.111 9.300 4.382 402 HZ3 LYS 51 3HZ LYS 51 16.540 8.408 4.451 403 H VAL 52 H VAL 52 12.967 0.962 4.513 404 HA VAL 52 HA VAL 52 14.853 -0.987 5.716 405 HB VAL 52 HB VAL 52 12.872 -2.056 6.782 406 HG11 VAL 52 1HG1 VAL 52 13.346 0.825 7.607 407 HG12 VAL 52 2HG1 VAL 52 14.315 -0.570 8.092 408 HG13 VAL 52 3HG1 VAL 52 12.640 -0.433 8.624 409 HG21 VAL 52 1HG2 VAL 52 11.056 -1.246 5.335 410 HG22 VAL 52 2HG2 VAL 52 11.329 0.405 5.890 411 HG23 VAL 52 3HG2 VAL 52 10.734 -0.815 7.018 412 H SER 53 H SER 53 14.490 -3.208 5.088 413 HA SER 53 HA SER 53 13.151 -3.597 2.472 414 HB2 SER 53 2HB SER 53 15.588 -4.210 2.645 415 HB3 SER 53 1HB SER 53 15.168 -5.431 3.846 416 HG SER 53 HG SER 53 14.901 -5.470 1.114 417 H ILE 54 H ILE 54 11.940 -5.574 2.171 418 HA ILE 54 HA ILE 54 10.644 -6.667 4.585 419 HB ILE 54 HB ILE 54 9.288 -4.803 3.582 420 HG12 ILE 54 2HG1 ILE 54 7.961 -7.543 3.430 421 HG13 ILE 54 1HG1 ILE 54 8.183 -6.597 4.897 422 HG21 ILE 54 1HG2 ILE 54 8.983 -6.628 1.168 423 HG22 ILE 54 2HG2 ILE 54 9.871 -5.105 1.207 424 HG23 ILE 54 3HG2 ILE 54 8.122 -5.109 1.430 425 HD11 ILE 54 1HD1 ILE 54 6.473 -5.830 2.534 426 HD12 ILE 54 2HD1 ILE 54 6.690 -4.874 4.004 427 HD13 ILE 54 3HD1 ILE 54 5.911 -6.455 4.083 428 H GLY 55 H GLY 55 9.924 -8.814 4.401 429 HA2 GLY 55 2HA GLY 55 10.864 -10.395 2.133 430 HA3 GLY 55 1HA GLY 55 10.113 -11.003 3.604 431 H MET 56 H MET 56 9.472 -11.742 0.854 432 HA MET 56 HA MET 56 7.099 -10.497 -0.086 433 HB2 MET 56 2HB MET 56 7.963 -13.374 -0.604 434 HB3 MET 56 1HB MET 56 6.853 -12.413 -1.578 435 HG2 MET 56 2HG MET 56 9.823 -11.927 -1.241 436 HG3 MET 56 1HG MET 56 9.015 -12.554 -2.676 437 HE1 MET 56 1HE MET 56 6.402 -10.702 -2.879 438 HE2 MET 56 2HE MET 56 7.421 -11.021 -4.280 439 HE3 MET 56 3HE MET 56 6.987 -9.365 -3.860 440 H GLN 57 H GLN 57 7.647 -12.660 2.513 441 HA GLN 57 HA GLN 57 5.102 -13.869 2.786 442 HB2 GLN 57 2HB GLN 57 7.165 -13.256 4.955 443 HB3 GLN 57 1HB GLN 57 5.761 -14.293 5.161 444 HG2 GLN 57 2HG GLN 57 7.590 -15.759 4.855 445 HG3 GLN 57 1HG GLN 57 6.722 -15.768 3.317 446 HE21 GLN 57 1HE2 GLN 57 7.729 -14.875 1.480 447 HE22 GLN 57 2HE2 GLN 57 9.428 -14.553 1.432 448 H GLU 58 H GLU 58 6.470 -10.805 3.948 449 HA GLU 58 HA GLU 58 4.088 -10.095 5.478 450 HB2 GLU 58 2HB GLU 58 6.522 -8.376 4.879 451 HB3 GLU 58 1HB GLU 58 5.286 -8.056 6.087 452 HG2 GLU 58 2HG GLU 58 7.392 -10.224 6.121 453 HG3 GLU 58 1HG GLU 58 7.257 -8.838 7.201 454 H ILE 59 H ILE 59 5.328 -9.651 2.271 455 HA ILE 59 HA ILE 59 3.747 -7.350 1.592 456 HB ILE 59 HB ILE 59 4.981 -9.404 -0.286 457 HG12 ILE 59 2HG1 ILE 59 6.084 -6.754 0.749 458 HG13 ILE 59 1HG1 ILE 59 6.730 -8.357 1.083 459 HG21 ILE 59 1HG2 ILE 59 4.747 -7.652 -2.014 460 HG22 ILE 59 2HG2 ILE 59 3.983 -6.584 -0.834 461 HG23 ILE 59 3HG2 ILE 59 3.181 -8.065 -1.321 462 HD11 ILE 59 1HD1 ILE 59 6.682 -6.969 -1.590 463 HD12 ILE 59 2HD1 ILE 59 7.292 -8.602 -1.293 464 HD13 ILE 59 3HD1 ILE 59 8.083 -7.218 -0.544 465 H HIS 60 H HIS 60 1.666 -7.901 2.337 466 HA HIS 60 HA HIS 60 0.096 -9.362 0.348 467 HB2 HIS 60 2HB HIS 60 0.494 -10.367 3.066 468 HB3 HIS 60 1HB HIS 60 -1.205 -9.944 2.857 469 HD1 HIS 60 HD1 HIS 60 1.466 -12.021 1.099 470 HD2 HIS 60 HD2 HIS 60 -2.675 -11.777 1.476 471 HE1 HIS 60 HE1 HIS 60 0.558 -14.010 -0.139 472 HE2 HIS 60 HE2 HIS 60 -1.938 -13.724 -0.065 473 HA PRO 61 HA PRO 61 -2.576 -5.765 0.630 474 HB2 PRO 61 2HB PRO 61 -5.042 -6.964 0.031 475 HB3 PRO 61 1HB PRO 61 -3.833 -6.504 -1.187 476 HG2 PRO 61 2HG PRO 61 -4.324 -9.188 0.049 477 HG3 PRO 61 1HG PRO 61 -4.017 -8.770 -1.651 478 HD2 PRO 61 2HD PRO 61 -2.065 -9.791 -0.104 479 HD3 PRO 61 1HD PRO 61 -1.697 -8.521 -1.298 480 H ALA 62 H ALA 62 -3.081 -8.655 2.512 481 HA ALA 62 HA ALA 62 -5.093 -7.924 4.285 482 HB1 ALA 62 1HB ALA 62 -4.132 -10.192 4.194 483 HB2 ALA 62 2HB ALA 62 -4.079 -9.561 5.844 484 HB3 ALA 62 3HB ALA 62 -2.615 -9.586 4.859 485 H ASN 63 H ASN 63 -1.675 -7.076 4.205 486 HA ASN 63 HA ASN 63 -1.797 -5.461 6.638 487 HB2 ASN 63 2HB ASN 63 0.504 -5.910 4.685 488 HB3 ASN 63 1HB ASN 63 0.619 -5.077 6.236 489 HD21 ASN 63 1HD2 ASN 63 2.200 -7.266 5.551 490 HD22 ASN 63 2HD2 ASN 63 1.798 -8.580 6.597 491 H PHE 64 H PHE 64 -1.971 -5.081 3.184 492 HA PHE 64 HA PHE 64 -1.740 -2.143 3.345 493 HB2 PHE 64 2HB PHE 64 -1.661 -4.088 0.978 494 HB3 PHE 64 1HB PHE 64 -1.697 -2.334 0.791 495 HD1 PHE 64 HD1 PHE 64 0.292 -5.115 2.283 496 HD2 PHE 64 HD2 PHE 64 0.313 -1.066 0.913 497 HE1 PHE 64 HE1 PHE 64 2.725 -5.051 2.534 498 HE2 PHE 64 HE2 PHE 64 2.752 -1.010 1.175 499 HZ PHE 64 HZ PHE 64 3.957 -2.995 1.985 500 H ALA 65 H ALA 65 -4.042 -3.771 4.329 501 HA ALA 65 HA ALA 65 -6.297 -3.726 2.674 502 HB1 ALA 65 1HB ALA 65 -6.180 -3.517 5.706 503 HB2 ALA 65 2HB ALA 65 -6.131 -5.007 4.762 504 HB3 ALA 65 3HB ALA 65 -7.583 -4.003 4.750 505 H THR 66 H THR 66 -4.920 -1.234 4.780 506 HA THR 66 HA THR 66 -6.371 0.924 3.445 507 HB THR 66 HB THR 66 -6.919 2.095 5.622 508 HG1 THR 66 HG1 THR 66 -6.630 -0.392 6.942 509 HG21 THR 66 1HG2 THR 66 -8.339 -0.578 5.388 510 HG22 THR 66 2HG2 THR 66 -8.770 0.895 4.517 511 HG23 THR 66 3HG2 THR 66 -8.927 0.833 6.273 512 H VAL 67 H VAL 67 -5.406 3.120 4.366 513 HA VAL 67 HA VAL 67 -2.570 3.112 4.421 514 HB VAL 67 HB VAL 67 -3.927 5.156 3.839 515 HG11 VAL 67 1HG1 VAL 67 -4.784 6.654 5.605 516 HG12 VAL 67 2HG1 VAL 67 -4.392 5.445 6.830 517 HG13 VAL 67 3HG1 VAL 67 -5.623 5.100 5.611 518 HG21 VAL 67 1HG2 VAL 67 -1.835 5.607 6.002 519 HG22 VAL 67 2HG2 VAL 67 -2.395 6.828 4.857 520 HG23 VAL 67 3HG2 VAL 67 -1.526 5.408 4.275 521 H GLN 68 H GLN 68 -5.039 2.921 6.942 522 HA GLN 68 HA GLN 68 -3.396 3.425 9.200 523 HB2 GLN 68 2HB GLN 68 -5.922 1.714 9.093 524 HB3 GLN 68 1HB GLN 68 -5.237 2.480 10.524 525 HG2 GLN 68 2HG GLN 68 -6.436 3.898 8.132 526 HG3 GLN 68 1HG GLN 68 -7.194 3.701 9.712 527 HE21 GLN 68 1HE2 GLN 68 -6.502 6.116 8.191 528 HE22 GLN 68 2HE2 GLN 68 -5.531 7.076 9.250 529 H SER 69 H SER 69 -4.431 0.464 7.558 530 HA SER 69 HA SER 69 -3.160 -1.416 9.211 531 HB2 SER 69 2HB SER 69 -3.872 -1.658 6.255 532 HB3 SER 69 1HB SER 69 -3.598 -2.997 7.374 533 HG SER 69 HG SER 69 -5.612 -2.830 7.914 534 H MET 70 H MET 70 -2.054 0.227 6.206 535 HA MET 70 HA MET 70 0.344 -1.376 6.014 536 HB2 MET 70 2HB MET 70 0.742 -0.327 3.920 537 HB3 MET 70 1HB MET 70 -1.003 -0.509 4.034 538 HG2 MET 70 2HG MET 70 -1.229 1.856 4.610 539 HG3 MET 70 1HG MET 70 0.522 2.055 4.540 540 HE1 MET 70 1HE MET 70 -2.750 1.291 2.442 541 HE2 MET 70 2HE MET 70 -1.762 -0.115 2.044 542 HE3 MET 70 3HE MET 70 -2.089 1.114 0.818 543 H VAL 71 H VAL 71 -0.430 1.870 7.188 544 HA VAL 71 HA VAL 71 2.274 2.807 7.395 545 HB VAL 71 HB VAL 71 -0.026 4.174 7.462 546 HG11 VAL 71 1HG1 VAL 71 -0.909 3.231 9.549 547 HG12 VAL 71 2HG1 VAL 71 -0.715 4.982 9.670 548 HG13 VAL 71 3HG1 VAL 71 0.458 3.909 10.434 549 HG21 VAL 71 1HG2 VAL 71 2.169 5.233 7.253 550 HG22 VAL 71 2HG2 VAL 71 2.450 5.067 8.987 551 HG23 VAL 71 3HG2 VAL 71 1.181 6.144 8.396 552 H ALA 72 H ALA 72 -0.010 1.162 9.457 553 HA ALA 72 HA ALA 72 1.540 1.201 11.871 554 HB1 ALA 72 1HB ALA 72 -0.225 -0.225 12.778 555 HB2 ALA 72 2HB ALA 72 -0.875 -0.494 11.156 556 HB3 ALA 72 3HB ALA 72 -0.941 1.117 11.871 557 H LEU 73 H LEU 73 1.102 -1.036 9.159 558 HA LEU 73 HA LEU 73 2.300 -3.377 10.082 559 HB2 LEU 73 2HB LEU 73 1.272 -3.590 7.985 560 HB3 LEU 73 1HB LEU 73 1.835 -2.023 7.441 561 HG LEU 73 HG LEU 73 4.158 -3.085 7.254 562 HD11 LEU 73 1HD1 LEU 73 3.790 -5.088 8.566 563 HD12 LEU 73 2HD1 LEU 73 4.265 -5.519 6.926 564 HD13 LEU 73 3HD1 LEU 73 2.575 -5.664 7.417 565 HD21 LEU 73 1HD2 LEU 73 3.711 -3.906 4.992 566 HD22 LEU 73 2HD2 LEU 73 2.803 -2.435 5.339 567 HD23 LEU 73 3HD2 LEU 73 1.985 -3.996 5.354 568 H VAL 74 H VAL 74 3.640 -0.503 8.503 569 HA VAL 74 HA VAL 74 6.341 -1.198 8.482 570 HB VAL 74 HB VAL 74 5.087 1.584 8.667 571 HG11 VAL 74 1HG1 VAL 74 7.970 0.865 7.968 572 HG12 VAL 74 2HG1 VAL 74 7.434 1.704 9.423 573 HG13 VAL 74 3HG1 VAL 74 7.258 2.480 7.851 574 HG21 VAL 74 1HG2 VAL 74 4.423 0.334 6.636 575 HG22 VAL 74 2HG2 VAL 74 6.115 0.045 6.237 576 HG23 VAL 74 3HG2 VAL 74 5.472 1.688 6.212 577 H GLN 75 H GLN 75 4.421 0.474 10.993 578 HA GLN 75 HA GLN 75 6.632 1.094 12.696 579 HB2 GLN 75 2HB GLN 75 3.746 0.765 13.621 580 HB3 GLN 75 1HB GLN 75 5.003 1.748 14.359 581 HG2 GLN 75 2HG GLN 75 3.551 2.261 11.762 582 HG3 GLN 75 1HG GLN 75 3.425 3.184 13.253 583 HE21 GLN 75 1HE2 GLN 75 4.153 3.952 10.485 584 HE22 GLN 75 2HE2 GLN 75 5.675 4.757 10.616 585 H ARG 76 H ARG 76 4.532 -1.713 12.389 586 HA ARG 76 HA ARG 76 5.195 -3.057 14.812 587 HB2 ARG 76 2HB ARG 76 4.145 -4.170 12.173 588 HB3 ARG 76 1HB ARG 76 4.254 -5.099 13.664 589 HG2 ARG 76 2HG ARG 76 2.479 -2.699 13.145 590 HG3 ARG 76 1HG ARG 76 1.967 -4.375 13.327 591 HD2 ARG 76 2HD ARG 76 3.215 -2.632 15.480 592 HD3 ARG 76 1HD ARG 76 1.514 -3.094 15.370 593 HE ARG 76 HE ARG 76 2.953 -5.455 15.415 594 HH11 ARG 76 1HH1 ARG 76 2.500 -2.754 17.622 595 HH12 ARG 76 2HH1 ARG 76 2.759 -3.730 19.033 596 HH21 ARG 76 1HH2 ARG 76 3.281 -6.695 17.243 597 HH22 ARG 76 2HH2 ARG 76 3.203 -5.966 18.817 598 H LEU 77 H LEU 77 6.341 -3.429 11.433 599 HA LEU 77 HA LEU 77 8.312 -5.394 12.148 600 HB2 LEU 77 2HB LEU 77 9.067 -5.232 9.771 601 HB3 LEU 77 1HB LEU 77 7.377 -5.623 9.990 602 HG LEU 77 HG LEU 77 6.879 -3.154 9.487 603 HD11 LEU 77 1HD1 LEU 77 9.732 -3.136 8.459 604 HD12 LEU 77 2HD1 LEU 77 9.056 -2.137 9.757 605 HD13 LEU 77 3HD1 LEU 77 8.499 -1.921 8.095 606 HD21 LEU 77 1HD2 LEU 77 6.353 -4.957 7.962 607 HD22 LEU 77 2HD2 LEU 77 7.986 -4.916 7.290 608 HD23 LEU 77 3HD2 LEU 77 6.900 -3.541 7.069 609 H LYS 78 H LYS 78 8.355 -1.920 12.127 610 HA LYS 78 HA LYS 78 11.157 -1.469 12.080 611 HB2 LYS 78 2HB LYS 78 8.879 0.057 13.365 612 HB3 LYS 78 1HB LYS 78 10.540 0.596 13.515 613 HG2 LYS 78 2HG LYS 78 8.906 0.388 10.984 614 HG3 LYS 78 1HG LYS 78 9.451 1.856 11.788 615 HD2 LYS 78 2HD LYS 78 11.855 1.058 11.282 616 HD3 LYS 78 1HD LYS 78 11.127 -0.171 10.238 617 HE2 LYS 78 2HE LYS 78 11.698 1.664 8.820 618 HE3 LYS 78 1HE LYS 78 9.947 1.730 9.021 619 HZ1 LYS 78 1HZ LYS 78 10.238 3.470 10.662 620 HZ2 LYS 78 2HZ LYS 78 10.967 3.912 9.207 621 HZ3 LYS 78 3HZ LYS 78 11.920 3.392 10.498 622 H ALA 79 H ALA 79 8.938 -2.474 14.616 623 HA ALA 79 HA ALA 79 10.787 -2.341 16.795 624 HB1 ALA 79 1HB ALA 79 8.349 -2.276 17.153 625 HB2 ALA 79 2HB ALA 79 9.085 -3.609 18.046 626 HB3 ALA 79 3HB ALA 79 8.211 -3.928 16.545 627 H HIS 80 H HIS 80 10.330 -4.571 14.201 628 HA HIS 80 HA HIS 80 11.977 -6.685 15.419 629 HB2 HIS 80 2HB HIS 80 10.711 -6.452 12.637 630 HB3 HIS 80 1HB HIS 80 11.681 -7.824 13.173 631 HD1 HIS 80 HD1 HIS 80 10.380 -9.706 14.132 632 HD2 HIS 80 HD2 HIS 80 8.320 -6.126 14.455 633 HE1 HIS 80 HE1 HIS 80 8.132 -10.307 15.070 634 HE2 HIS 80 HE2 HIS 80 7.010 -8.091 15.463 635 HA PRO 81 HA PRO 81 15.645 -4.432 14.222 636 HB2 PRO 81 2HB PRO 81 17.076 -7.079 14.174 637 HB3 PRO 81 1HB PRO 81 17.387 -5.653 15.188 638 HG2 PRO 81 2HG PRO 81 16.286 -7.841 16.239 639 HG3 PRO 81 1HG PRO 81 15.758 -6.218 16.742 640 HD2 PRO 81 2HD PRO 81 14.406 -8.118 14.810 641 HD3 PRO 81 1HD PRO 81 13.693 -7.140 16.119 642 H GLU 82 H GLU 82 15.058 -7.494 12.518 643 HA GLU 82 HA GLU 82 16.706 -7.259 10.292 644 HB2 GLU 82 2HB GLU 82 15.524 -9.331 10.899 645 HB3 GLU 82 1HB GLU 82 13.973 -8.581 10.547 646 HG2 GLU 82 2HG GLU 82 14.688 -8.383 8.136 647 HG3 GLU 82 1HG GLU 82 16.143 -9.293 8.544 648 H GLN 83 H GLN 83 13.435 -6.000 10.790 649 HA GLN 83 HA GLN 83 13.431 -4.756 8.095 650 HB2 GLN 83 2HB GLN 83 10.995 -5.499 9.779 651 HB3 GLN 83 1HB GLN 83 11.009 -4.991 8.093 652 HG2 GLN 83 2HG GLN 83 12.217 -7.093 7.502 653 HG3 GLN 83 1HG GLN 83 12.116 -7.599 9.193 654 HE21 GLN 83 1HE2 GLN 83 10.939 -9.472 8.620 655 HE22 GLN 83 2HE2 GLN 83 9.282 -9.408 8.137 656 H GLY 84 H GLY 84 14.437 -3.807 10.829 657 HA2 GLY 84 2HA GLY 84 12.797 -1.343 11.115 658 HA3 GLY 84 1HA GLY 84 13.486 -2.214 12.477 659 H GLY 85 H GLY 85 16.064 -2.721 11.246 660 HA2 GLY 85 2HA GLY 85 17.239 -0.075 10.824 661 HA3 GLY 85 1HA GLY 85 17.621 -0.853 12.353 662 H ALA 86 H ALA 86 17.771 -3.531 11.419 663 HA ALA 86 HA ALA 86 20.380 -3.772 10.404 664 HB1 ALA 86 1HB ALA 86 19.324 -5.585 11.685 665 HB2 ALA 86 2HB ALA 86 19.873 -6.183 10.120 666 HB3 ALA 86 3HB ALA 86 18.157 -5.856 10.387 667 H ALA 87 H ALA 87 20.850 -2.864 8.507 668 HA ALA 87 HA ALA 87 19.076 -2.558 6.314 669 HB1 ALA 87 1HB ALA 87 20.879 -0.953 6.768 670 HB2 ALA 87 2HB ALA 87 21.035 -1.618 5.140 671 HB3 ALA 87 3HB ALA 87 22.090 -2.194 6.435 672 H LEU 88 H LEU 88 18.364 -4.451 5.425 673 HA LEU 88 HA LEU 88 19.978 -6.673 4.650 674 HB2 LEU 88 2HB LEU 88 17.413 -6.573 4.964 675 HB3 LEU 88 1HB LEU 88 17.346 -5.793 3.402 676 HG LEU 88 HG LEU 88 16.782 -8.244 3.397 677 HD11 LEU 88 1HD1 LEU 88 17.974 -8.852 1.370 678 HD12 LEU 88 2HD1 LEU 88 19.131 -7.542 1.632 679 HD13 LEU 88 3HD1 LEU 88 17.435 -7.175 1.309 680 HD21 LEU 88 1HD2 LEU 88 19.727 -8.657 3.976 681 HD22 LEU 88 2HD2 LEU 88 18.565 -9.913 3.539 682 HD23 LEU 88 3HD2 LEU 88 18.377 -9.036 5.055 683 H GLU 89 H GLU 89 21.643 -6.282 3.345 684 HA GLU 89 HA GLU 89 21.394 -4.729 0.877 685 HB2 GLU 89 2HB GLU 89 22.006 -3.056 2.558 686 HB3 GLU 89 1HB GLU 89 23.342 -4.056 3.122 687 HG2 GLU 89 2HG GLU 89 24.522 -3.729 1.002 688 HG3 GLU 89 1HG GLU 89 23.164 -2.813 0.351 689 H282 PNS 101 3H28 PNS 136 -0.200 -10.578 -1.930 690 H281 PNS 101 2H28 PNS 136 -0.476 -10.012 -3.584 691 H303 PNS 101 3H51 PNS 136 1.929 -9.291 -1.923 692 H302 PNS 101 2H51 PNS 136 3.136 -9.543 -3.176 693 H301 PNS 101 1H51 PNS 136 1.611 -8.753 -3.584 694 H313 PNS 101 3H52 PNS 136 1.265 -12.157 -5.020 695 H312 PNS 101 2H52 PNS 136 2.780 -11.242 -4.970 696 H311 PNS 101 1H52 PNS 136 1.261 -10.425 -5.389 697 H32 PNS 101 H32 PNS 136 1.968 -11.732 -1.346 698 H33 PNS 101 H33 PNS 136 0.563 -13.226 -2.414 699 H36 PNS 101 H36 PNS 136 3.207 -13.628 -3.947 700 H372 PNS 101 3H37 PNS 136 5.983 -12.684 -3.543 701 H371 PNS 101 2H37 PNS 136 5.518 -14.350 -3.912 702 H382 PNS 101 3H38 PNS 136 4.706 -13.744 -6.092 703 H381 PNS 101 2H38 PNS 136 4.816 -12.025 -5.726 704 H41 PNS 101 H41 PNS 136 6.196 -11.153 -6.830 705 H422 PNS 101 3H42 PNS 136 8.170 -12.089 -8.451 706 H421 PNS 101 2H42 PNS 136 8.954 -11.646 -6.932 707 H431 PNS 101 2H43 PNS 136 7.157 -9.847 -8.604 708 H432 PNS 101 3H43 PNS 136 7.923 -9.394 -7.072 709 H44 PNS 101 H44 PNS 136 9.391 -8.240 -9.179 Start of MODEL 13 1 H1 MET 1 1H MET 1 3.721 15.872 -0.333 2 H2 MET 1 2H MET 1 2.662 16.875 0.513 3 H3 MET 1 3H MET 1 2.146 16.103 -0.898 4 HA MET 1 HA MET 1 2.961 14.754 1.582 5 HB2 MET 1 2HB MET 1 0.169 15.193 0.436 6 HB3 MET 1 1HB MET 1 0.542 14.192 1.839 7 HG2 MET 1 2HG MET 1 0.809 17.195 1.592 8 HG3 MET 1 1HG MET 1 -0.271 16.293 2.653 9 HE1 MET 1 1HE MET 1 2.390 14.827 5.260 10 HE2 MET 1 2HE MET 1 1.720 14.020 3.840 11 HE3 MET 1 3HE MET 1 0.666 14.945 4.909 12 H LEU 2 H LEU 2 3.213 12.612 1.417 13 HA LEU 2 HA LEU 2 3.740 11.544 -1.196 14 HB2 LEU 2 2HB LEU 2 4.721 9.620 -0.046 15 HB3 LEU 2 1HB LEU 2 5.322 11.117 0.631 16 HG LEU 2 HG LEU 2 3.048 9.666 2.026 17 HD11 LEU 2 1HD1 LEU 2 4.619 8.392 3.399 18 HD12 LEU 2 2HD1 LEU 2 5.970 8.969 2.417 19 HD13 LEU 2 3HD1 LEU 2 4.733 7.933 1.700 20 HD21 LEU 2 1HD2 LEU 2 5.289 11.432 3.093 21 HD22 LEU 2 2HD2 LEU 2 3.984 10.729 4.055 22 HD23 LEU 2 3HD2 LEU 2 3.617 11.930 2.820 23 H GLU 3 H GLU 3 0.976 11.488 0.760 24 HA GLU 3 HA GLU 3 -0.116 8.934 0.256 25 HB2 GLU 3 2HB GLU 3 -1.687 11.538 0.618 26 HB3 GLU 3 1HB GLU 3 -2.328 9.910 0.789 27 HG2 GLU 3 2HG GLU 3 -2.044 10.494 3.006 28 HG3 GLU 3 1HG GLU 3 -0.522 9.678 2.687 29 H SER 4 H SER 4 -0.418 12.036 -1.459 30 HA SER 4 HA SER 4 -2.110 11.284 -3.559 31 HB2 SER 4 2HB SER 4 0.146 13.338 -3.691 32 HB3 SER 4 1HB SER 4 -1.345 13.327 -4.638 33 HG SER 4 HG SER 4 -2.364 13.402 -2.422 34 H LYS 5 H LYS 5 1.345 10.807 -3.088 35 HA LYS 5 HA LYS 5 2.036 10.163 -5.794 36 HB2 LYS 5 2HB LYS 5 3.504 9.837 -3.151 37 HB3 LYS 5 1HB LYS 5 4.217 9.361 -4.683 38 HG2 LYS 5 2HG LYS 5 3.208 12.189 -4.419 39 HG3 LYS 5 1HG LYS 5 4.697 11.760 -3.582 40 HD2 LYS 5 2HD LYS 5 5.261 12.716 -5.748 41 HD3 LYS 5 1HD LYS 5 5.676 11.004 -5.766 42 HE2 LYS 5 2HE LYS 5 3.566 10.548 -7.036 43 HE3 LYS 5 1HE LYS 5 3.226 12.277 -7.052 44 HZ1 LYS 5 1HZ LYS 5 4.238 11.474 -9.093 45 HZ2 LYS 5 2HZ LYS 5 5.614 11.002 -8.238 46 HZ3 LYS 5 3HZ LYS 5 5.197 12.637 -8.334 47 H LEU 6 H LEU 6 1.534 8.168 -2.828 48 HA LEU 6 HA LEU 6 2.123 5.694 -4.097 49 HB2 LEU 6 2HB LEU 6 1.307 4.586 -2.073 50 HB3 LEU 6 1HB LEU 6 2.400 5.898 -1.709 51 HG LEU 6 HG LEU 6 0.088 7.236 -1.328 52 HD11 LEU 6 1HD1 LEU 6 -0.735 4.398 -0.643 53 HD12 LEU 6 2HD1 LEU 6 -1.402 5.394 -1.938 54 HD13 LEU 6 3HD1 LEU 6 -1.637 5.869 -0.259 55 HD21 LEU 6 1HD2 LEU 6 1.316 5.408 0.766 56 HD22 LEU 6 2HD2 LEU 6 0.282 6.806 1.086 57 HD23 LEU 6 3HD2 LEU 6 1.863 7.034 0.343 58 H ILE 7 H ILE 7 -0.879 7.489 -3.621 59 HA ILE 7 HA ILE 7 -2.662 5.492 -4.618 60 HB ILE 7 HB ILE 7 -3.005 8.526 -4.650 61 HG12 ILE 7 2HG1 ILE 7 -4.206 6.591 -2.616 62 HG13 ILE 7 1HG1 ILE 7 -2.681 7.427 -2.340 63 HG21 ILE 7 1HG2 ILE 7 -4.529 7.397 -6.247 64 HG22 ILE 7 2HG2 ILE 7 -5.431 8.086 -4.894 65 HG23 ILE 7 3HG2 ILE 7 -5.123 6.347 -4.954 66 HD11 ILE 7 1HD1 ILE 7 -3.836 9.588 -2.504 67 HD12 ILE 7 2HD1 ILE 7 -4.516 8.567 -1.237 68 HD13 ILE 7 3HD1 ILE 7 -5.365 8.744 -2.771 69 H ASN 8 H ASN 8 -1.322 8.462 -6.131 70 HA ASN 8 HA ASN 8 -2.538 8.259 -8.617 71 HB2 ASN 8 2HB ASN 8 -1.476 10.332 -7.866 72 HB3 ASN 8 1HB ASN 8 0.112 9.580 -7.900 73 HD21 ASN 8 1HD2 ASN 8 1.182 9.360 -9.865 74 HD22 ASN 8 2HD2 ASN 8 0.625 10.088 -11.331 75 H HIS 9 H HIS 9 0.420 6.795 -7.490 76 HA HIS 9 HA HIS 9 1.802 6.250 -9.806 77 HB2 HIS 9 2HB HIS 9 2.628 5.864 -7.475 78 HB3 HIS 9 1HB HIS 9 1.611 4.432 -7.361 79 HD1 HIS 9 HD1 HIS 9 4.971 5.220 -7.839 80 HD2 HIS 9 HD2 HIS 9 2.402 2.631 -9.805 81 HE1 HIS 9 HE1 HIS 9 6.456 3.560 -8.972 82 HE2 HIS 9 HE2 HIS 9 4.860 1.881 -9.949 83 H ILE 10 H ILE 10 -0.258 3.795 -8.145 84 HA ILE 10 HA ILE 10 -0.506 2.317 -10.632 85 HB ILE 10 HB ILE 10 -2.020 0.786 -9.138 86 HG12 ILE 10 2HG1 ILE 10 -1.307 0.768 -6.712 87 HG13 ILE 10 1HG1 ILE 10 -0.524 2.313 -6.955 88 HG21 ILE 10 1HG2 ILE 10 -0.035 -0.488 -8.383 89 HG22 ILE 10 2HG2 ILE 10 0.981 0.913 -8.739 90 HG23 ILE 10 3HG2 ILE 10 0.119 0.094 -10.043 91 HD11 ILE 10 1HD1 ILE 10 -3.467 1.730 -7.129 92 HD12 ILE 10 2HD1 ILE 10 -2.714 3.291 -7.459 93 HD13 ILE 10 3HD1 ILE 10 -2.618 2.591 -5.842 94 H ALA 11 H ALA 11 -2.459 4.605 -8.821 95 HA ALA 11 HA ALA 11 -5.027 4.190 -9.823 96 HB1 ALA 11 1HB ALA 11 -5.426 6.579 -9.438 97 HB2 ALA 11 2HB ALA 11 -3.688 6.878 -9.368 98 HB3 ALA 11 3HB ALA 11 -4.464 5.900 -8.123 99 H THR 12 H THR 12 -2.174 5.270 -11.512 100 HA THR 12 HA THR 12 -3.308 6.516 -13.767 101 HB THR 12 HB THR 12 -0.743 4.874 -13.694 102 HG1 THR 12 HG1 THR 12 -1.378 7.028 -12.311 103 HG21 THR 12 1HG2 THR 12 0.001 6.384 -15.514 104 HG22 THR 12 2HG2 THR 12 -1.575 7.181 -15.509 105 HG23 THR 12 3HG2 THR 12 -1.445 5.490 -15.998 106 H GLN 13 H GLN 13 -2.522 3.125 -13.115 107 HA GLN 13 HA GLN 13 -3.658 2.226 -15.692 108 HB2 GLN 13 2HB GLN 13 -2.563 0.036 -15.137 109 HB3 GLN 13 1HB GLN 13 -1.434 1.382 -15.255 110 HG2 GLN 13 2HG GLN 13 -1.450 1.535 -12.745 111 HG3 GLN 13 1HG GLN 13 -2.444 0.086 -12.704 112 HE21 GLN 13 1HE2 GLN 13 0.721 1.363 -13.380 113 HE22 GLN 13 2HE2 GLN 13 1.551 -0.144 -13.367 114 H PHE 14 H PHE 14 -4.442 2.395 -12.377 115 HA PHE 14 HA PHE 14 -6.282 0.125 -12.369 116 HB2 PHE 14 2HB PHE 14 -4.907 1.768 -10.251 117 HB3 PHE 14 1HB PHE 14 -6.507 1.169 -9.825 118 HD1 PHE 14 HD1 PHE 14 -6.003 -0.491 -8.196 119 HD2 PHE 14 HD2 PHE 14 -3.883 -0.514 -11.912 120 HE1 PHE 14 HE1 PHE 14 -5.057 -2.684 -7.666 121 HE2 PHE 14 HE2 PHE 14 -2.948 -2.704 -11.356 122 HZ PHE 14 HZ PHE 14 -3.536 -3.794 -9.239 123 H LEU 15 H LEU 15 -6.321 3.638 -12.432 124 HA LEU 15 HA LEU 15 -9.299 3.668 -12.247 125 HB2 LEU 15 2HB LEU 15 -7.464 5.765 -11.042 126 HB3 LEU 15 1HB LEU 15 -9.209 5.660 -10.887 127 HG LEU 15 HG LEU 15 -7.192 3.765 -9.610 128 HD11 LEU 15 1HD1 LEU 15 -7.768 4.814 -7.531 129 HD12 LEU 15 2HD1 LEU 15 -8.943 5.872 -8.303 130 HD13 LEU 15 3HD1 LEU 15 -7.222 6.042 -8.657 131 HD21 LEU 15 1HD2 LEU 15 -9.108 2.820 -8.377 132 HD22 LEU 15 2HD2 LEU 15 -9.282 2.572 -10.110 133 HD23 LEU 15 3HD2 LEU 15 -10.228 3.826 -9.304 134 H ASP 16 H ASP 16 -7.071 4.013 -14.452 135 HA ASP 16 HA ASP 16 -6.907 5.064 -16.467 136 HB2 ASP 16 2HB ASP 16 -9.553 5.153 -16.178 137 HB3 ASP 16 1HB ASP 16 -9.297 6.850 -15.866 138 H GLY 17 H GLY 17 -5.909 6.241 -13.813 139 HA2 GLY 17 2HA GLY 17 -4.241 7.900 -13.606 140 HA3 GLY 17 1HA GLY 17 -5.001 8.841 -14.877 141 H GLU 18 H GLU 18 -7.493 7.874 -12.920 142 HA GLU 18 HA GLU 18 -7.651 10.534 -11.703 143 HB2 GLU 18 2HB GLU 18 -9.956 10.239 -11.627 144 HB3 GLU 18 1HB GLU 18 -9.585 9.142 -12.960 145 HG2 GLU 18 2HG GLU 18 -9.692 7.232 -11.439 146 HG3 GLU 18 1HG GLU 18 -9.992 8.300 -10.071 147 H LYS 19 H LYS 19 -7.723 10.896 -9.440 148 HA LYS 19 HA LYS 19 -7.344 8.539 -7.653 149 HB2 LYS 19 2HB LYS 19 -6.848 11.462 -6.962 150 HB3 LYS 19 1HB LYS 19 -6.485 10.044 -5.975 151 HG2 LYS 19 2HG LYS 19 -4.936 9.329 -7.935 152 HG3 LYS 19 1HG LYS 19 -5.102 10.999 -8.484 153 HD2 LYS 19 2HD LYS 19 -4.063 10.094 -5.789 154 HD3 LYS 19 1HD LYS 19 -3.080 10.707 -7.121 155 HE2 LYS 19 2HE LYS 19 -5.117 12.247 -5.482 156 HE3 LYS 19 1HE LYS 19 -3.372 12.493 -5.508 157 HZ1 LYS 19 1HZ LYS 19 -5.273 13.006 -7.723 158 HZ2 LYS 19 2HZ LYS 19 -3.599 13.150 -7.859 159 HZ3 LYS 19 3HZ LYS 19 -4.452 14.166 -6.816 160 H ASP 20 H ASP 20 -9.343 7.886 -7.225 161 HA ASP 20 HA ASP 20 -11.067 9.235 -5.452 162 HB2 ASP 20 2HB ASP 20 -11.620 10.523 -7.599 163 HB3 ASP 20 1HB ASP 20 -12.235 9.019 -8.275 164 H GLY 21 H GLY 21 -12.386 7.709 -4.469 165 HA2 GLY 21 2HA GLY 21 -13.402 5.664 -4.050 166 HA3 GLY 21 1HA GLY 21 -13.033 5.142 -5.688 167 H LEU 22 H LEU 22 -10.159 5.864 -5.267 168 HA LEU 22 HA LEU 22 -9.191 3.842 -3.346 169 HB2 LEU 22 2HB LEU 22 -8.787 3.308 -5.802 170 HB3 LEU 22 1HB LEU 22 -7.926 4.808 -5.940 171 HG LEU 22 HG LEU 22 -6.224 3.948 -4.289 172 HD11 LEU 22 1HD1 LEU 22 -7.579 1.259 -4.656 173 HD12 LEU 22 2HD1 LEU 22 -7.610 2.225 -3.183 174 HD13 LEU 22 3HD1 LEU 22 -6.084 1.580 -3.775 175 HD21 LEU 22 1HD2 LEU 22 -6.569 2.346 -6.841 176 HD22 LEU 22 2HD2 LEU 22 -5.077 2.505 -5.911 177 HD23 LEU 22 3HD2 LEU 22 -5.782 3.922 -6.684 178 H ASP 23 H ASP 23 -8.553 5.064 -1.666 179 HA ASP 23 HA ASP 23 -6.629 7.239 -2.079 180 HB2 ASP 23 2HB ASP 23 -9.031 7.564 -0.202 181 HB3 ASP 23 1HB ASP 23 -7.716 8.713 -0.402 182 H SER 24 H SER 24 -5.818 7.897 0.244 183 HA SER 24 HA SER 24 -4.539 5.592 1.281 184 HB2 SER 24 2HB SER 24 -3.707 7.302 3.029 185 HB3 SER 24 1HB SER 24 -3.351 7.674 1.341 186 HG SER 24 HG SER 24 -4.228 9.433 2.630 187 H GLN 25 H GLN 25 -7.138 7.684 2.612 188 HA GLN 25 HA GLN 25 -7.439 5.978 4.979 189 HB2 GLN 25 2HB GLN 25 -8.848 8.571 4.224 190 HB3 GLN 25 1HB GLN 25 -9.060 7.710 5.753 191 HG2 GLN 25 2HG GLN 25 -6.658 8.027 6.257 192 HG3 GLN 25 1HG GLN 25 -6.459 8.902 4.740 193 HE21 GLN 25 1HE2 GLN 25 -7.720 9.041 7.980 194 HE22 GLN 25 2HE2 GLN 25 -8.047 10.737 7.992 195 H THR 26 H THR 26 -8.882 6.329 1.895 196 HA THR 26 HA THR 26 -11.442 5.219 2.344 197 HB THR 26 HB THR 26 -9.652 5.170 -0.124 198 HG1 THR 26 HG1 THR 26 -11.012 6.918 -0.738 199 HG21 THR 26 1HG2 THR 26 -11.737 4.747 -1.416 200 HG22 THR 26 2HG2 THR 26 -12.612 4.506 0.103 201 HG23 THR 26 3HG2 THR 26 -11.325 3.391 -0.361 202 HA PRO 27 HA PRO 27 -10.214 1.001 3.355 203 HB2 PRO 27 2HB PRO 27 -12.612 -0.251 3.127 204 HB3 PRO 27 1HB PRO 27 -12.282 0.895 4.443 205 HG2 PRO 27 2HG PRO 27 -13.720 1.398 1.843 206 HG3 PRO 27 1HG PRO 27 -14.223 1.833 3.491 207 HD2 PRO 27 2HD PRO 27 -13.041 3.631 1.877 208 HD3 PRO 27 1HD PRO 27 -12.729 3.626 3.623 209 H LEU 28 H LEU 28 -8.881 0.126 1.851 210 HA LEU 28 HA LEU 28 -9.488 0.075 -0.950 211 HB2 LEU 28 2HB LEU 28 -7.170 -1.357 0.408 212 HB3 LEU 28 1HB LEU 28 -7.267 -0.818 -1.262 213 HG LEU 28 HG LEU 28 -6.925 0.907 1.215 214 HD11 LEU 28 1HD1 LEU 28 -5.104 0.530 -1.176 215 HD12 LEU 28 2HD1 LEU 28 -4.876 -0.158 0.436 216 HD13 LEU 28 3HD1 LEU 28 -4.815 1.588 0.210 217 HD21 LEU 28 1HD2 LEU 28 -8.459 2.110 -0.199 218 HD22 LEU 28 2HD2 LEU 28 -7.456 1.834 -1.618 219 HD23 LEU 28 3HD2 LEU 28 -6.875 2.868 -0.319 220 H PHE 29 H PHE 29 -9.644 -2.250 1.668 221 HA PHE 29 HA PHE 29 -10.044 -4.515 -0.140 222 HB2 PHE 29 2HB PHE 29 -9.121 -4.218 2.617 223 HB3 PHE 29 1HB PHE 29 -10.431 -5.392 2.562 224 HD1 PHE 29 HD1 PHE 29 -7.339 -4.460 0.701 225 HD2 PHE 29 HD2 PHE 29 -9.885 -7.617 2.051 226 HE1 PHE 29 HE1 PHE 29 -5.816 -6.098 -0.229 227 HE2 PHE 29 HE2 PHE 29 -8.335 -9.266 1.110 228 HZ PHE 29 HZ PHE 29 -6.306 -8.513 -0.046 229 H GLU 30 H GLU 30 -11.905 -2.623 2.171 230 HA GLU 30 HA GLU 30 -14.256 -4.189 2.190 231 HB2 GLU 30 2HB GLU 30 -13.644 -2.378 3.826 232 HB3 GLU 30 1HB GLU 30 -13.976 -1.181 2.590 233 HG2 GLU 30 2HG GLU 30 -16.150 -3.081 3.450 234 HG3 GLU 30 1HG GLU 30 -15.739 -1.700 4.459 235 H LEU 31 H LEU 31 -13.129 -1.594 0.043 236 HA LEU 31 HA LEU 31 -15.445 -1.879 -1.750 237 HB2 LEU 31 2HB LEU 31 -12.931 -0.197 -2.081 238 HB3 LEU 31 1HB LEU 31 -14.403 -0.075 -3.040 239 HG LEU 31 HG LEU 31 -14.080 0.638 -0.107 240 HD11 LEU 31 1HD1 LEU 31 -14.636 2.411 -2.492 241 HD12 LEU 31 2HD1 LEU 31 -13.114 2.285 -1.602 242 HD13 LEU 31 3HD1 LEU 31 -14.548 2.922 -0.802 243 HD21 LEU 31 1HD2 LEU 31 -16.304 -0.336 -0.416 244 HD22 LEU 31 2HD2 LEU 31 -16.625 0.739 -1.780 245 HD23 LEU 31 3HD2 LEU 31 -16.434 1.402 -0.154 246 H ASN 32 H ASN 32 -12.210 -3.008 -1.377 247 HA ASN 32 HA ASN 32 -10.869 -4.478 -2.446 248 HB2 ASN 32 2HB ASN 32 -13.132 -5.773 -2.321 249 HB3 ASN 32 1HB ASN 32 -13.273 -5.452 -4.039 250 HD21 ASN 32 1HD2 ASN 32 -10.504 -5.900 -4.766 251 HD22 ASN 32 2HD2 ASN 32 -10.194 -7.576 -4.537 252 H ILE 33 H ILE 33 -10.612 -2.003 -3.384 253 HA ILE 33 HA ILE 33 -10.887 -1.801 -6.258 254 HB ILE 33 HB ILE 33 -9.215 -0.031 -4.420 255 HG12 ILE 33 2HG1 ILE 33 -11.592 -0.066 -3.658 256 HG13 ILE 33 1HG1 ILE 33 -11.157 1.506 -4.322 257 HG21 ILE 33 1HG2 ILE 33 -8.610 0.259 -6.778 258 HG22 ILE 33 2HG2 ILE 33 -9.489 1.681 -6.216 259 HG23 ILE 33 3HG2 ILE 33 -10.307 0.482 -7.219 260 HD11 ILE 33 1HD1 ILE 33 -12.730 -0.637 -5.745 261 HD12 ILE 33 2HD1 ILE 33 -12.296 0.941 -6.411 262 HD13 ILE 33 3HD1 ILE 33 -13.375 0.836 -5.022 263 H VAL 34 H VAL 34 -8.067 -2.066 -4.059 264 HA VAL 34 HA VAL 34 -6.219 -2.206 -6.309 265 HB VAL 34 HB VAL 34 -5.656 -0.846 -4.284 266 HG11 VAL 34 1HG1 VAL 34 -5.269 -3.505 -2.852 267 HG12 VAL 34 2HG1 VAL 34 -6.547 -2.332 -2.512 268 HG13 VAL 34 3HG1 VAL 34 -4.859 -1.912 -2.205 269 HG21 VAL 34 1HG2 VAL 34 -3.640 -3.049 -4.890 270 HG22 VAL 34 2HG2 VAL 34 -3.258 -1.500 -4.133 271 HG23 VAL 34 3HG2 VAL 34 -3.844 -1.548 -5.798 272 H ASP 35 H ASP 35 -4.872 -3.945 -6.812 273 HA ASP 35 HA ASP 35 -5.889 -6.602 -6.069 274 HB2 ASP 35 2HB ASP 35 -4.177 -5.681 -8.416 275 HB3 ASP 35 1HB ASP 35 -4.570 -7.369 -8.106 276 H SER 36 H SER 36 -4.376 -8.328 -5.953 277 HA SER 36 HA SER 36 -2.382 -8.126 -4.001 278 HB2 SER 36 2HB SER 36 -3.602 -10.211 -5.648 279 HB3 SER 36 1HB SER 36 -1.875 -10.501 -5.512 280 H ALA 37 H ALA 37 -2.202 -8.138 -7.533 281 HA ALA 37 HA ALA 37 0.608 -8.419 -7.825 282 HB1 ALA 37 1HB ALA 37 -1.402 -7.221 -9.763 283 HB2 ALA 37 2HB ALA 37 -0.976 -8.927 -9.642 284 HB3 ALA 37 3HB ALA 37 0.236 -7.759 -10.168 285 H ALA 38 H ALA 38 -1.436 -5.616 -7.220 286 HA ALA 38 HA ALA 38 0.594 -3.654 -7.961 287 HB1 ALA 38 1HB ALA 38 -1.758 -3.103 -8.358 288 HB2 ALA 38 2HB ALA 38 -1.058 -1.973 -7.198 289 HB3 ALA 38 3HB ALA 38 -2.114 -3.274 -6.641 290 H ILE 39 H ILE 39 -0.208 -5.496 -5.194 291 HA ILE 39 HA ILE 39 0.304 -3.732 -3.078 292 HB ILE 39 HB ILE 39 0.651 -6.749 -3.226 293 HG12 ILE 39 2HG1 ILE 39 -1.646 -6.041 -3.608 294 HG13 ILE 39 1HG1 ILE 39 -1.542 -6.785 -2.021 295 HG21 ILE 39 1HG2 ILE 39 0.719 -5.005 -0.735 296 HG22 ILE 39 2HG2 ILE 39 2.040 -5.989 -1.373 297 HG23 ILE 39 3HG2 ILE 39 0.594 -6.766 -0.723 298 HD11 ILE 39 1HD1 ILE 39 -1.721 -3.832 -2.613 299 HD12 ILE 39 2HD1 ILE 39 -1.551 -4.539 -1.004 300 HD13 ILE 39 3HD1 ILE 39 -2.988 -4.872 -1.964 301 H PHE 40 H PHE 40 2.561 -5.855 -4.875 302 HA PHE 40 HA PHE 40 4.881 -5.352 -3.371 303 HB2 PHE 40 2HB PHE 40 4.787 -7.182 -5.010 304 HB3 PHE 40 1HB PHE 40 4.624 -6.035 -6.337 305 HD1 PHE 40 HD1 PHE 40 6.960 -6.590 -3.418 306 HD2 PHE 40 HD2 PHE 40 6.605 -5.699 -7.600 307 HE1 PHE 40 HE1 PHE 40 9.407 -6.486 -3.609 308 HE2 PHE 40 HE2 PHE 40 9.061 -5.609 -7.777 309 HZ PHE 40 HZ PHE 40 10.461 -6.001 -5.784 310 H ASP 41 H ASP 41 3.270 -3.387 -5.749 311 HA ASP 41 HA ASP 41 5.422 -1.555 -6.233 312 HB2 ASP 41 2HB ASP 41 3.595 -1.927 -7.865 313 HB3 ASP 41 1HB ASP 41 2.423 -1.278 -6.718 314 H LEU 42 H LEU 42 2.430 -1.469 -4.244 315 HA LEU 42 HA LEU 42 2.854 0.984 -2.921 316 HB2 LEU 42 2HB LEU 42 1.291 -1.501 -2.120 317 HB3 LEU 42 1HB LEU 42 1.420 -0.145 -1.023 318 HG LEU 42 HG LEU 42 -0.714 0.013 -2.121 319 HD11 LEU 42 1HD1 LEU 42 0.395 2.147 -1.749 320 HD12 LEU 42 2HD1 LEU 42 -0.633 2.203 -3.178 321 HD13 LEU 42 3HD1 LEU 42 1.120 2.076 -3.360 322 HD21 LEU 42 1HD2 LEU 42 -1.031 0.147 -4.549 323 HD22 LEU 42 2HD2 LEU 42 -0.289 -1.382 -4.086 324 HD23 LEU 42 3HD2 LEU 42 0.701 -0.108 -4.800 325 H VAL 43 H VAL 43 4.077 -2.246 -2.310 326 HA VAL 43 HA VAL 43 5.351 -1.952 0.176 327 HB VAL 43 HB VAL 43 6.012 -3.694 -2.234 328 HG11 VAL 43 1HG1 VAL 43 8.130 -3.356 -1.020 329 HG12 VAL 43 2HG1 VAL 43 7.564 -5.014 -0.834 330 HG13 VAL 43 3HG1 VAL 43 7.351 -3.858 0.481 331 HG21 VAL 43 1HG2 VAL 43 4.846 -4.453 0.441 332 HG22 VAL 43 2HG2 VAL 43 5.068 -5.510 -0.952 333 HG23 VAL 43 3HG2 VAL 43 3.914 -4.182 -1.028 334 H ASP 44 H ASP 44 6.604 -1.571 -3.158 335 HA ASP 44 HA ASP 44 9.257 -0.955 -2.559 336 HB2 ASP 44 2HB ASP 44 8.362 -1.458 -4.857 337 HB3 ASP 44 1HB ASP 44 7.663 0.142 -4.910 338 H PHE 45 H PHE 45 6.404 1.077 -2.769 339 HA PHE 45 HA PHE 45 7.710 3.550 -2.625 340 HB2 PHE 45 2HB PHE 45 5.340 3.195 -3.415 341 HB3 PHE 45 1HB PHE 45 4.863 2.884 -1.750 342 HD1 PHE 45 HD1 PHE 45 6.010 5.475 -4.139 343 HD2 PHE 45 HD2 PHE 45 4.634 4.735 -0.146 344 HE1 PHE 45 HE1 PHE 45 5.667 7.885 -3.797 345 HE2 PHE 45 HE2 PHE 45 4.303 7.147 0.171 346 HZ PHE 45 HZ PHE 45 4.815 8.719 -1.640 347 H LEU 46 H LEU 46 5.967 1.638 -0.132 348 HA LEU 46 HA LEU 46 6.411 3.367 2.055 349 HB2 LEU 46 2HB LEU 46 5.849 0.384 2.091 350 HB3 LEU 46 1HB LEU 46 5.708 1.451 3.483 351 HG LEU 46 HG LEU 46 4.001 1.556 0.971 352 HD11 LEU 46 1HD1 LEU 46 2.189 0.780 2.391 353 HD12 LEU 46 2HD1 LEU 46 3.282 0.671 3.772 354 HD13 LEU 46 3HD1 LEU 46 3.516 -0.377 2.369 355 HD21 LEU 46 1HD2 LEU 46 3.799 3.284 3.474 356 HD22 LEU 46 2HD2 LEU 46 2.630 3.250 2.150 357 HD23 LEU 46 3HD2 LEU 46 4.268 3.830 1.860 358 H ARG 47 H ARG 47 8.310 0.646 0.878 359 HA ARG 47 HA ARG 47 9.939 0.341 3.219 360 HB2 ARG 47 2HB ARG 47 11.088 -1.380 2.007 361 HB3 ARG 47 1HB ARG 47 9.401 -1.503 1.529 362 HG2 ARG 47 2HG ARG 47 9.915 -0.363 -0.592 363 HG3 ARG 47 1HG ARG 47 11.598 -0.191 -0.107 364 HD2 ARG 47 2HD ARG 47 11.775 -2.687 -0.032 365 HD3 ARG 47 1HD ARG 47 10.121 -2.786 -0.647 366 HE ARG 47 HE ARG 47 10.872 -1.733 -2.694 367 HH11 ARG 47 1HH1 ARG 47 13.487 -2.881 -0.639 368 HH12 ARG 47 2HH1 ARG 47 14.630 -2.932 -1.941 369 HH21 ARG 47 1HH2 ARG 47 12.407 -1.740 -4.358 370 HH22 ARG 47 2HH2 ARG 47 14.024 -2.292 -4.037 371 H GLN 48 H GLN 48 10.100 2.102 0.226 372 HA GLN 48 HA GLN 48 12.855 2.926 0.396 373 HB2 GLN 48 2HB GLN 48 11.604 2.587 -1.757 374 HB3 GLN 48 1HB GLN 48 10.559 3.935 -1.340 375 HG2 GLN 48 2HG GLN 48 12.424 5.500 -1.524 376 HG3 GLN 48 1HG GLN 48 13.548 4.168 -1.784 377 HE21 GLN 48 1HE2 GLN 48 10.359 4.191 -3.288 378 HE22 GLN 48 2HE2 GLN 48 10.925 4.453 -4.894 379 H GLU 49 H GLU 49 9.667 4.244 1.219 380 HA GLU 49 HA GLU 49 10.462 6.888 1.950 381 HB2 GLU 49 2HB GLU 49 8.008 5.231 2.703 382 HB3 GLU 49 1HB GLU 49 8.215 6.912 3.187 383 HG2 GLU 49 2HG GLU 49 8.004 5.883 0.344 384 HG3 GLU 49 1HG GLU 49 6.745 6.725 1.244 385 H SER 50 H SER 50 9.825 3.931 3.800 386 HA SER 50 HA SER 50 10.508 5.188 6.348 387 HB2 SER 50 2HB SER 50 8.507 3.685 6.097 388 HB3 SER 50 1HB SER 50 9.598 2.334 5.797 389 HG SER 50 HG SER 50 9.447 3.918 8.151 390 H LYS 51 H LYS 51 12.245 3.762 3.906 391 HA LYS 51 HA LYS 51 14.423 3.259 3.643 392 HB2 LYS 51 2HB LYS 51 14.851 4.117 6.535 393 HB3 LYS 51 1HB LYS 51 16.053 4.095 5.249 394 HG2 LYS 51 2HG LYS 51 13.672 5.969 5.492 395 HG3 LYS 51 1HG LYS 51 15.374 6.385 5.688 396 HD2 LYS 51 2HD LYS 51 15.800 5.956 3.318 397 HD3 LYS 51 1HD LYS 51 14.148 5.378 3.091 398 HE2 LYS 51 2HE LYS 51 13.327 7.680 3.695 399 HE3 LYS 51 1HE LYS 51 15.008 8.220 3.746 400 HZ1 LYS 51 1HZ LYS 51 14.026 8.736 1.639 401 HZ2 LYS 51 2HZ LYS 51 13.584 7.124 1.386 402 HZ3 LYS 51 3HZ LYS 51 15.218 7.556 1.419 403 H VAL 52 H VAL 52 12.542 1.231 4.705 404 HA VAL 52 HA VAL 52 14.438 -0.643 6.013 405 HB VAL 52 HB VAL 52 12.839 0.192 7.704 406 HG11 VAL 52 1HG1 VAL 52 10.912 0.761 6.272 407 HG12 VAL 52 2HG1 VAL 52 10.409 -0.302 7.588 408 HG13 VAL 52 3HG1 VAL 52 10.617 -0.953 5.961 409 HG21 VAL 52 1HG2 VAL 52 12.043 -1.993 8.566 410 HG22 VAL 52 2HG2 VAL 52 13.695 -2.103 7.955 411 HG23 VAL 52 3HG2 VAL 52 12.355 -2.728 6.991 412 H SER 53 H SER 53 14.493 -2.651 5.153 413 HA SER 53 HA SER 53 12.934 -3.210 2.741 414 HB2 SER 53 2HB SER 53 15.209 -4.770 4.057 415 HB3 SER 53 1HB SER 53 14.468 -5.166 2.502 416 HG SER 53 HG SER 53 16.503 -3.732 2.692 417 H ILE 54 H ILE 54 11.469 -4.823 2.543 418 HA ILE 54 HA ILE 54 10.570 -6.336 4.918 419 HB ILE 54 HB ILE 54 9.020 -4.500 4.695 420 HG12 ILE 54 2HG1 ILE 54 7.780 -7.021 3.493 421 HG13 ILE 54 1HG1 ILE 54 7.888 -6.617 5.202 422 HG21 ILE 54 1HG2 ILE 54 7.832 -3.900 2.640 423 HG22 ILE 54 2HG2 ILE 54 8.678 -5.171 1.758 424 HG23 ILE 54 3HG2 ILE 54 9.580 -3.794 2.400 425 HD11 ILE 54 1HD1 ILE 54 6.217 -5.215 3.123 426 HD12 ILE 54 2HD1 ILE 54 6.356 -4.724 4.812 427 HD13 ILE 54 3HD1 ILE 54 5.651 -6.286 4.404 428 H GLY 55 H GLY 55 9.778 -8.417 4.487 429 HA2 GLY 55 2HA GLY 55 10.565 -9.580 1.903 430 HA3 GLY 55 1HA GLY 55 10.293 -10.450 3.404 431 H MET 56 H MET 56 9.211 -11.329 1.010 432 HA MET 56 HA MET 56 6.570 -10.457 0.464 433 HB2 MET 56 2HB MET 56 8.113 -12.956 -0.258 434 HB3 MET 56 1HB MET 56 6.413 -12.813 -0.681 435 HG2 MET 56 2HG MET 56 8.542 -10.843 -1.550 436 HG3 MET 56 1HG MET 56 7.956 -12.199 -2.526 437 HE1 MET 56 1HE MET 56 7.210 -10.611 -4.531 438 HE2 MET 56 2HE MET 56 7.856 -9.227 -3.642 439 HE3 MET 56 3HE MET 56 6.225 -9.165 -4.307 440 H GLN 57 H GLN 57 7.728 -12.213 3.111 441 HA GLN 57 HA GLN 57 5.468 -13.773 3.810 442 HB2 GLN 57 2HB GLN 57 7.501 -12.457 5.665 443 HB3 GLN 57 1HB GLN 57 6.441 -13.810 6.070 444 HG2 GLN 57 2HG GLN 57 7.589 -15.194 4.361 445 HG3 GLN 57 1HG GLN 57 8.672 -13.848 4.013 446 HE21 GLN 57 1HE2 GLN 57 9.315 -16.512 4.920 447 HE22 GLN 57 2HE2 GLN 57 10.168 -16.334 6.411 448 H GLU 58 H GLU 58 6.353 -10.371 4.449 449 HA GLU 58 HA GLU 58 3.790 -9.902 5.847 450 HB2 GLU 58 2HB GLU 58 6.381 -8.315 5.734 451 HB3 GLU 58 1HB GLU 58 4.891 -7.617 6.354 452 HG2 GLU 58 2HG GLU 58 6.310 -10.050 7.469 453 HG3 GLU 58 1HG GLU 58 6.303 -8.436 8.177 454 H ILE 59 H ILE 59 5.407 -9.334 2.825 455 HA ILE 59 HA ILE 59 3.532 -7.407 1.797 456 HB ILE 59 HB ILE 59 5.155 -9.452 0.217 457 HG12 ILE 59 2HG1 ILE 59 5.844 -6.544 0.850 458 HG13 ILE 59 1HG1 ILE 59 6.599 -7.943 1.604 459 HG21 ILE 59 1HG2 ILE 59 4.830 -7.932 -1.732 460 HG22 ILE 59 2HG2 ILE 59 3.739 -6.942 -0.746 461 HG23 ILE 59 3HG2 ILE 59 3.313 -8.608 -1.126 462 HD11 ILE 59 1HD1 ILE 59 6.745 -7.187 -1.307 463 HD12 ILE 59 2HD1 ILE 59 7.477 -8.626 -0.586 464 HD13 ILE 59 3HD1 ILE 59 8.023 -7.021 -0.101 465 H HIS 60 H HIS 60 1.549 -8.353 2.633 466 HA HIS 60 HA HIS 60 0.341 -9.863 0.461 467 HB2 HIS 60 2HB HIS 60 -1.053 -11.248 2.055 468 HB3 HIS 60 1HB HIS 60 0.633 -11.715 1.915 469 HD1 HIS 60 HD1 HIS 60 2.119 -11.427 3.983 470 HD2 HIS 60 HD2 HIS 60 -1.844 -10.333 4.553 471 HE1 HIS 60 HE1 HIS 60 1.819 -11.286 6.471 472 HE2 HIS 60 HE2 HIS 60 -0.596 -10.645 6.800 473 HA PRO 61 HA PRO 61 -2.286 -6.539 0.411 474 HB2 PRO 61 2HB PRO 61 -4.647 -7.492 -0.625 475 HB3 PRO 61 1HB PRO 61 -3.151 -7.439 -1.565 476 HG2 PRO 61 2HG PRO 61 -4.379 -9.766 -0.125 477 HG3 PRO 61 1HG PRO 61 -3.688 -9.691 -1.772 478 HD2 PRO 61 2HD PRO 61 -2.274 -10.662 0.333 479 HD3 PRO 61 1HD PRO 61 -1.499 -9.786 -1.003 480 H ALA 62 H ALA 62 -3.479 -9.156 2.408 481 HA ALA 62 HA ALA 62 -5.634 -7.936 3.725 482 HB1 ALA 62 1HB ALA 62 -5.053 -10.323 3.993 483 HB2 ALA 62 2HB ALA 62 -5.192 -9.528 5.562 484 HB3 ALA 62 3HB ALA 62 -3.598 -9.876 4.884 485 H ASN 63 H ASN 63 -2.163 -7.583 4.182 486 HA ASN 63 HA ASN 63 -2.339 -5.917 6.554 487 HB2 ASN 63 2HB ASN 63 -0.034 -6.793 4.760 488 HB3 ASN 63 1HB ASN 63 0.189 -5.671 6.101 489 HD21 ASN 63 1HD2 ASN 63 1.686 -7.343 6.795 490 HD22 ASN 63 2HD2 ASN 63 1.094 -8.654 7.738 491 H PHE 64 H PHE 64 -2.302 -5.450 3.117 492 HA PHE 64 HA PHE 64 -1.755 -2.555 3.313 493 HB2 PHE 64 2HB PHE 64 -1.810 -4.493 0.954 494 HB3 PHE 64 1HB PHE 64 -1.688 -2.745 0.753 495 HD1 PHE 64 HD1 PHE 64 0.015 -5.722 2.198 496 HD2 PHE 64 HD2 PHE 64 0.413 -1.632 0.992 497 HE1 PHE 64 HE1 PHE 64 2.452 -5.890 2.419 498 HE2 PHE 64 HE2 PHE 64 2.848 -1.812 1.232 499 HZ PHE 64 HZ PHE 64 3.868 -3.936 1.920 500 H ALA 65 H ALA 65 -4.285 -4.060 4.059 501 HA ALA 65 HA ALA 65 -6.416 -3.652 2.327 502 HB1 ALA 65 1HB ALA 65 -7.849 -3.887 4.317 503 HB2 ALA 65 2HB ALA 65 -6.457 -3.599 5.367 504 HB3 ALA 65 3HB ALA 65 -6.514 -5.043 4.354 505 H THR 66 H THR 66 -4.905 -1.302 4.514 506 HA THR 66 HA THR 66 -6.132 0.939 3.083 507 HB THR 66 HB THR 66 -6.552 2.233 5.240 508 HG1 THR 66 HG1 THR 66 -6.536 -0.301 6.520 509 HG21 THR 66 1HG2 THR 66 -8.308 -0.225 4.988 510 HG22 THR 66 2HG2 THR 66 -8.496 1.261 4.053 511 HG23 THR 66 3HG2 THR 66 -8.736 1.278 5.804 512 H VAL 67 H VAL 67 -4.960 3.081 3.916 513 HA VAL 67 HA VAL 67 -2.139 2.712 3.962 514 HB VAL 67 HB VAL 67 -3.376 4.906 3.292 515 HG11 VAL 67 1HG1 VAL 67 -4.678 5.279 5.361 516 HG12 VAL 67 2HG1 VAL 67 -3.626 6.653 5.020 517 HG13 VAL 67 3HG1 VAL 67 -3.183 5.496 6.277 518 HG21 VAL 67 1HG2 VAL 67 -0.866 5.105 5.004 519 HG22 VAL 67 2HG2 VAL 67 -1.415 6.326 3.852 520 HG23 VAL 67 3HG2 VAL 67 -0.922 4.732 3.277 521 H GLN 68 H GLN 68 -4.596 2.907 6.425 522 HA GLN 68 HA GLN 68 -2.942 3.455 8.689 523 HB2 GLN 68 2HB GLN 68 -5.691 2.127 8.609 524 HB3 GLN 68 1HB GLN 68 -4.955 2.941 9.991 525 HG2 GLN 68 2HG GLN 68 -5.093 5.089 8.868 526 HG3 GLN 68 1HG GLN 68 -5.671 4.328 7.387 527 HE21 GLN 68 1HE2 GLN 68 -7.804 3.535 7.322 528 HE22 GLN 68 2HE2 GLN 68 -9.002 4.053 8.451 529 H SER 69 H SER 69 -4.313 0.521 7.233 530 HA SER 69 HA SER 69 -3.285 -1.381 9.047 531 HB2 SER 69 2HB SER 69 -3.986 -1.752 6.100 532 HB3 SER 69 1HB SER 69 -3.821 -3.038 7.297 533 HG SER 69 HG SER 69 -5.534 -1.843 8.464 534 H MET 70 H MET 70 -2.008 -0.094 5.971 535 HA MET 70 HA MET 70 0.211 -1.916 5.881 536 HB2 MET 70 2HB MET 70 0.802 -0.909 3.792 537 HB3 MET 70 1HB MET 70 -0.952 -0.989 3.834 538 HG2 MET 70 2HG MET 70 -1.056 1.396 4.373 539 HG3 MET 70 1HG MET 70 0.701 1.489 4.365 540 HE1 MET 70 1HE MET 70 -1.807 0.645 0.555 541 HE2 MET 70 2HE MET 70 -2.524 0.887 2.150 542 HE3 MET 70 3HE MET 70 -1.588 -0.570 1.813 543 H VAL 71 H VAL 71 -0.270 1.382 6.997 544 HA VAL 71 HA VAL 71 2.465 2.127 7.304 545 HB VAL 71 HB VAL 71 0.189 3.584 7.513 546 HG11 VAL 71 1HG1 VAL 71 -0.304 4.387 9.767 547 HG12 VAL 71 2HG1 VAL 71 0.862 3.242 10.433 548 HG13 VAL 71 3HG1 VAL 71 -0.590 2.645 9.632 549 HG21 VAL 71 1HG2 VAL 71 2.417 4.548 7.171 550 HG22 VAL 71 2HG2 VAL 71 2.790 4.347 8.885 551 HG23 VAL 71 3HG2 VAL 71 1.535 5.483 8.383 552 H ALA 72 H ALA 72 0.112 0.512 9.316 553 HA ALA 72 HA ALA 72 1.672 0.448 11.737 554 HB1 ALA 72 1HB ALA 72 -0.887 -1.008 11.001 555 HB2 ALA 72 2HB ALA 72 -0.799 0.616 11.685 556 HB3 ALA 72 3HB ALA 72 -0.246 -0.772 12.635 557 H LEU 73 H LEU 73 1.154 -1.617 8.974 558 HA LEU 73 HA LEU 73 2.388 -3.999 9.875 559 HB2 LEU 73 2HB LEU 73 1.170 -4.318 7.919 560 HB3 LEU 73 1HB LEU 73 1.588 -2.738 7.282 561 HG LEU 73 HG LEU 73 3.905 -3.642 6.811 562 HD11 LEU 73 1HD1 LEU 73 4.186 -6.076 6.592 563 HD12 LEU 73 2HD1 LEU 73 2.618 -6.327 7.362 564 HD13 LEU 73 3HD1 LEU 73 3.937 -5.576 8.264 565 HD21 LEU 73 1HD2 LEU 73 2.254 -3.259 5.077 566 HD22 LEU 73 2HD2 LEU 73 1.589 -4.875 5.314 567 HD23 LEU 73 3HD2 LEU 73 3.233 -4.678 4.707 568 H VAL 74 H VAL 74 3.572 -1.082 8.164 569 HA VAL 74 HA VAL 74 6.307 -1.814 8.069 570 HB VAL 74 HB VAL 74 5.075 0.990 8.192 571 HG11 VAL 74 1HG1 VAL 74 7.229 1.813 7.255 572 HG12 VAL 74 2HG1 VAL 74 7.908 0.191 7.397 573 HG13 VAL 74 3HG1 VAL 74 7.451 1.085 8.847 574 HG21 VAL 74 1HG2 VAL 74 5.981 -0.640 5.779 575 HG22 VAL 74 2HG2 VAL 74 5.377 1.017 5.721 576 HG23 VAL 74 3HG2 VAL 74 4.311 -0.293 6.225 577 H GLN 75 H GLN 75 4.382 -0.066 10.544 578 HA GLN 75 HA GLN 75 6.511 0.658 12.240 579 HB2 GLN 75 2HB GLN 75 3.577 0.208 12.887 580 HB3 GLN 75 1HB GLN 75 4.728 0.921 14.015 581 HG2 GLN 75 2HG GLN 75 3.879 2.058 11.345 582 HG3 GLN 75 1HG GLN 75 3.419 2.654 12.931 583 HE21 GLN 75 1HE2 GLN 75 4.779 4.029 10.719 584 HE22 GLN 75 2HE2 GLN 75 6.261 4.630 11.376 585 H ARG 76 H ARG 76 4.713 -2.423 12.061 586 HA ARG 76 HA ARG 76 5.601 -3.383 14.611 587 HB2 ARG 76 2HB ARG 76 4.591 -5.491 14.071 588 HB3 ARG 76 1HB ARG 76 3.518 -4.223 13.488 589 HG2 ARG 76 2HG ARG 76 4.321 -4.559 11.214 590 HG3 ARG 76 1HG ARG 76 5.462 -5.778 11.767 591 HD2 ARG 76 2HD ARG 76 3.597 -6.907 10.794 592 HD3 ARG 76 1HD ARG 76 3.492 -7.132 12.541 593 HE ARG 76 HE ARG 76 1.862 -5.159 12.409 594 HH11 ARG 76 1HH1 ARG 76 2.131 -7.611 9.887 595 HH12 ARG 76 2HH1 ARG 76 0.479 -7.419 9.385 596 HH21 ARG 76 1HH2 ARG 76 -0.276 -4.923 11.710 597 HH22 ARG 76 2HH2 ARG 76 -0.875 -5.906 10.408 598 H LEU 77 H LEU 77 6.790 -3.688 11.267 599 HA LEU 77 HA LEU 77 8.906 -5.537 12.020 600 HB2 LEU 77 2HB LEU 77 9.612 -5.377 9.622 601 HB3 LEU 77 1HB LEU 77 7.972 -5.926 9.877 602 HG LEU 77 HG LEU 77 7.273 -3.483 9.340 603 HD11 LEU 77 1HD1 LEU 77 8.758 -2.245 7.802 604 HD12 LEU 77 2HD1 LEU 77 10.069 -3.366 8.181 605 HD13 LEU 77 3HD1 LEU 77 9.382 -2.338 9.450 606 HD21 LEU 77 1HD2 LEU 77 7.199 -3.952 6.931 607 HD22 LEU 77 2HD2 LEU 77 6.756 -5.357 7.896 608 HD23 LEU 77 3HD2 LEU 77 8.353 -5.272 7.149 609 H LYS 78 H LYS 78 8.543 -2.104 11.790 610 HA LYS 78 HA LYS 78 11.245 -1.255 11.641 611 HB2 LYS 78 2HB LYS 78 8.803 0.008 12.934 612 HB3 LYS 78 1HB LYS 78 10.358 0.823 12.880 613 HG2 LYS 78 2HG LYS 78 8.744 -0.030 10.465 614 HG3 LYS 78 1HG LYS 78 8.772 1.598 11.132 615 HD2 LYS 78 2HD LYS 78 11.266 0.180 10.119 616 HD3 LYS 78 1HD LYS 78 10.239 1.163 9.078 617 HE2 LYS 78 2HE LYS 78 10.682 3.136 10.503 618 HE3 LYS 78 1HE LYS 78 11.694 2.149 11.559 619 HZ1 LYS 78 1HZ LYS 78 13.196 1.785 9.766 620 HZ2 LYS 78 2HZ LYS 78 12.950 3.445 9.952 621 HZ3 LYS 78 3HZ LYS 78 12.200 2.616 8.689 622 H ALA 79 H ALA 79 9.205 -2.314 14.326 623 HA ALA 79 HA ALA 79 10.925 -1.617 16.473 624 HB1 ALA 79 1HB ALA 79 9.512 -3.129 17.825 625 HB2 ALA 79 2HB ALA 79 8.783 -3.779 16.351 626 HB3 ALA 79 3HB ALA 79 8.523 -2.091 16.793 627 H HIS 80 H HIS 80 10.893 -4.277 14.230 628 HA HIS 80 HA HIS 80 12.673 -5.999 15.783 629 HB2 HIS 80 2HB HIS 80 11.486 -6.327 12.990 630 HB3 HIS 80 1HB HIS 80 12.439 -7.549 13.827 631 HD1 HIS 80 HD1 HIS 80 9.038 -6.509 13.274 632 HD2 HIS 80 HD2 HIS 80 11.071 -8.447 16.322 633 HE1 HIS 80 HE1 HIS 80 7.280 -7.706 14.586 634 HE2 HIS 80 HE2 HIS 80 8.573 -9.082 16.250 635 HA PRO 81 HA PRO 81 16.481 -4.409 13.883 636 HB2 PRO 81 2HB PRO 81 18.050 -6.716 14.093 637 HB3 PRO 81 1HB PRO 81 17.741 -5.599 15.435 638 HG2 PRO 81 2HG PRO 81 16.406 -8.209 14.820 639 HG3 PRO 81 1HG PRO 81 16.920 -7.548 16.388 640 HD2 PRO 81 2HD PRO 81 14.332 -7.472 15.606 641 HD3 PRO 81 1HD PRO 81 15.047 -6.169 16.581 642 H GLU 82 H GLU 82 15.410 -7.648 12.886 643 HA GLU 82 HA GLU 82 15.293 -6.932 10.092 644 HB2 GLU 82 2HB GLU 82 17.713 -7.616 10.419 645 HB3 GLU 82 1HB GLU 82 17.165 -9.196 10.964 646 HG2 GLU 82 2HG GLU 82 16.075 -9.505 8.699 647 HG3 GLU 82 1HG GLU 82 16.840 -7.998 8.192 648 H GLN 83 H GLN 83 14.212 -8.667 8.867 649 HA GLN 83 HA GLN 83 12.583 -10.502 10.534 650 HB2 GLN 83 2HB GLN 83 11.737 -8.855 8.112 651 HB3 GLN 83 1HB GLN 83 10.741 -10.117 8.830 652 HG2 GLN 83 2HG GLN 83 11.722 -7.702 10.389 653 HG3 GLN 83 1HG GLN 83 10.185 -7.740 9.524 654 HE21 GLN 83 1HE2 GLN 83 12.001 -9.280 12.162 655 HE22 GLN 83 2HE2 GLN 83 10.609 -9.865 13.003 656 H GLY 84 H GLY 84 13.268 -9.992 7.058 657 HA2 GLY 84 2HA GLY 84 14.657 -11.664 5.860 658 HA3 GLY 84 1HA GLY 84 13.764 -12.907 6.738 659 H GLY 85 H GLY 85 13.147 -13.784 4.681 660 HA2 GLY 85 2HA GLY 85 11.526 -14.212 3.101 661 HA3 GLY 85 1HA GLY 85 10.658 -12.775 3.619 662 H ALA 86 H ALA 86 13.905 -12.147 2.880 663 HA ALA 86 HA ALA 86 13.241 -11.062 0.202 664 HB1 ALA 86 1HB ALA 86 13.763 -9.318 1.871 665 HB2 ALA 86 2HB ALA 86 15.014 -9.384 0.626 666 HB3 ALA 86 3HB ALA 86 15.310 -10.096 2.216 667 H ALA 87 H ALA 87 14.062 -12.326 -1.343 668 HA ALA 87 HA ALA 87 16.152 -14.224 -1.050 669 HB1 ALA 87 1HB ALA 87 15.014 -13.005 -3.597 670 HB2 ALA 87 2HB ALA 87 14.403 -14.444 -2.781 671 HB3 ALA 87 3HB ALA 87 16.009 -14.463 -3.509 672 H LEU 88 H LEU 88 18.295 -14.163 -1.834 673 HA LEU 88 HA LEU 88 19.717 -11.689 -1.698 674 HB2 LEU 88 2HB LEU 88 20.514 -14.108 -1.118 675 HB3 LEU 88 1HB LEU 88 20.828 -14.288 -2.830 676 HG LEU 88 HG LEU 88 22.150 -12.171 -1.070 677 HD11 LEU 88 1HD1 LEU 88 22.808 -14.392 -0.298 678 HD12 LEU 88 2HD1 LEU 88 24.159 -13.570 -1.071 679 HD13 LEU 88 3HD1 LEU 88 23.295 -14.841 -1.938 680 HD21 LEU 88 1HD2 LEU 88 22.158 -11.528 -3.453 681 HD22 LEU 88 2HD2 LEU 88 22.893 -13.071 -3.887 682 HD23 LEU 88 3HD2 LEU 88 23.790 -11.910 -2.905 683 H GLU 89 H GLU 89 18.874 -10.338 -3.253 684 HA GLU 89 HA GLU 89 18.766 -11.109 -6.078 685 HB2 GLU 89 2HB GLU 89 16.908 -9.849 -4.803 686 HB3 GLU 89 1HB GLU 89 17.968 -8.452 -4.791 687 HG2 GLU 89 2HG GLU 89 16.975 -9.802 -7.325 688 HG3 GLU 89 1HG GLU 89 16.156 -8.451 -6.555 689 H282 PNS 101 3H28 PNS 136 -0.046 -10.407 -4.358 690 H281 PNS 101 2H28 PNS 136 0.580 -12.052 -4.228 691 H303 PNS 101 3H51 PNS 136 0.134 -9.793 -1.318 692 H302 PNS 101 2H51 PNS 136 1.757 -9.102 -1.341 693 H301 PNS 101 1H51 PNS 136 0.594 -8.673 -2.610 694 H313 PNS 101 3H52 PNS 136 2.929 -10.969 -4.342 695 H312 PNS 101 2H52 PNS 136 3.393 -9.801 -3.109 696 H311 PNS 101 1H52 PNS 136 2.208 -9.355 -4.347 697 H32 PNS 101 H32 PNS 136 2.680 -11.338 -1.166 698 H33 PNS 101 H33 PNS 136 0.279 -12.766 -1.636 699 H36 PNS 101 H36 PNS 136 4.327 -12.044 -2.188 700 H372 PNS 101 3H37 PNS 136 5.798 -13.687 -2.828 701 H371 PNS 101 2H37 PNS 136 4.469 -14.632 -3.533 702 H382 PNS 101 3H38 PNS 136 4.167 -12.999 -5.290 703 H381 PNS 101 2H38 PNS 136 5.295 -11.886 -4.529 704 H41 PNS 101 H41 PNS 136 6.434 -11.552 -6.123 705 H422 PNS 101 3H42 PNS 136 7.488 -12.904 -8.195 706 H421 PNS 101 2H42 PNS 136 8.633 -13.176 -6.876 707 H431 PNS 101 2H43 PNS 136 7.637 -10.459 -7.824 708 H432 PNS 101 3H43 PNS 136 8.790 -10.736 -6.508 709 H44 PNS 101 H44 PNS 136 10.715 -11.950 -8.180 Start of MODEL 14 1 H1 MET 1 1H MET 1 -0.424 14.785 3.122 2 H2 MET 1 2H MET 1 0.550 13.407 3.232 3 H3 MET 1 3H MET 1 -0.810 13.402 2.230 4 HA MET 1 HA MET 1 0.138 15.057 0.814 5 HB2 MET 1 2HB MET 1 1.469 16.250 2.509 6 HB3 MET 1 1HB MET 1 2.530 14.859 2.698 7 HG2 MET 1 2HG MET 1 3.614 16.596 1.368 8 HG3 MET 1 1HG MET 1 3.332 15.160 0.378 9 HE1 MET 1 1HE MET 1 3.675 16.531 -1.902 10 HE2 MET 1 2HE MET 1 4.059 17.946 -0.921 11 HE3 MET 1 3HE MET 1 2.876 18.071 -2.223 12 H LEU 2 H LEU 2 1.974 12.417 2.335 13 HA LEU 2 HA LEU 2 3.396 11.546 0.029 14 HB2 LEU 2 2HB LEU 2 4.022 11.199 2.493 15 HB3 LEU 2 1HB LEU 2 2.763 9.978 2.569 16 HG LEU 2 HG LEU 2 4.014 8.714 0.729 17 HD11 LEU 2 1HD1 LEU 2 6.380 9.244 0.365 18 HD12 LEU 2 2HD1 LEU 2 6.219 10.705 1.343 19 HD13 LEU 2 3HD1 LEU 2 5.327 10.550 -0.174 20 HD21 LEU 2 1HD2 LEU 2 5.674 7.726 2.234 21 HD22 LEU 2 2HD2 LEU 2 4.144 7.992 3.066 22 HD23 LEU 2 3HD2 LEU 2 5.503 9.084 3.354 23 H GLU 3 H GLU 3 0.321 10.872 1.394 24 HA GLU 3 HA GLU 3 -0.422 8.382 0.403 25 HB2 GLU 3 2HB GLU 3 -2.322 10.739 0.883 26 HB3 GLU 3 1HB GLU 3 -2.725 9.028 0.910 27 HG2 GLU 3 2HG GLU 3 -2.627 9.441 3.180 28 HG3 GLU 3 1HG GLU 3 -0.969 8.938 2.897 29 H SER 4 H SER 4 -0.915 11.628 -0.899 30 HA SER 4 HA SER 4 -2.456 11.117 -3.138 31 HB2 SER 4 2HB SER 4 -0.299 13.254 -2.853 32 HB3 SER 4 1HB SER 4 -1.705 13.315 -3.920 33 HG SER 4 HG SER 4 -1.535 14.125 -1.431 34 H LYS 5 H LYS 5 1.010 10.706 -2.667 35 HA LYS 5 HA LYS 5 1.667 10.559 -5.471 36 HB2 LYS 5 2HB LYS 5 3.164 11.535 -3.698 37 HB3 LYS 5 1HB LYS 5 3.387 9.919 -3.034 38 HG2 LYS 5 2HG LYS 5 5.297 10.550 -4.425 39 HG3 LYS 5 1HG LYS 5 4.436 9.190 -5.153 40 HD2 LYS 5 2HD LYS 5 5.047 10.790 -6.907 41 HD3 LYS 5 1HD LYS 5 3.293 10.783 -6.722 42 HE2 LYS 5 2HE LYS 5 3.482 12.853 -5.313 43 HE3 LYS 5 1HE LYS 5 5.219 12.863 -5.620 44 HZ1 LYS 5 1HZ LYS 5 4.059 14.350 -7.078 45 HZ2 LYS 5 2HZ LYS 5 3.091 13.097 -7.661 46 HZ3 LYS 5 3HZ LYS 5 4.752 13.096 -7.972 47 H LEU 6 H LEU 6 1.429 8.220 -2.739 48 HA LEU 6 HA LEU 6 2.246 5.952 -4.282 49 HB2 LEU 6 2HB LEU 6 1.527 4.570 -2.357 50 HB3 LEU 6 1HB LEU 6 2.580 5.891 -1.911 51 HG LEU 6 HG LEU 6 0.259 7.100 -1.307 52 HD11 LEU 6 1HD1 LEU 6 -1.396 5.562 -0.331 53 HD12 LEU 6 2HD1 LEU 6 -0.488 4.182 -0.959 54 HD13 LEU 6 3HD1 LEU 6 -1.230 5.333 -2.070 55 HD21 LEU 6 1HD2 LEU 6 1.539 5.069 0.544 56 HD22 LEU 6 2HD2 LEU 6 0.524 6.439 1.024 57 HD23 LEU 6 3HD2 LEU 6 2.093 6.726 0.273 58 H ILE 7 H ILE 7 -0.889 7.404 -3.547 59 HA ILE 7 HA ILE 7 -2.564 5.424 -4.684 60 HB ILE 7 HB ILE 7 -2.969 8.436 -4.394 61 HG12 ILE 7 2HG1 ILE 7 -4.259 6.154 -2.821 62 HG13 ILE 7 1HG1 ILE 7 -2.832 7.033 -2.280 63 HG21 ILE 7 1HG2 ILE 7 -4.371 7.643 -6.284 64 HG22 ILE 7 2HG2 ILE 7 -5.374 8.103 -4.904 65 HG23 ILE 7 3HG2 ILE 7 -5.074 6.398 -5.246 66 HD11 ILE 7 1HD1 ILE 7 -5.581 8.202 -2.713 67 HD12 ILE 7 2HD1 ILE 7 -4.147 9.110 -2.224 68 HD13 ILE 7 3HD1 ILE 7 -4.802 7.858 -1.169 69 H ASN 8 H ASN 8 -1.365 8.522 -6.041 70 HA ASN 8 HA ASN 8 -2.544 8.336 -8.546 71 HB2 ASN 8 2HB ASN 8 -1.491 10.375 -7.403 72 HB3 ASN 8 1HB ASN 8 0.065 9.817 -7.982 73 HD21 ASN 8 1HD2 ASN 8 -0.840 9.056 -10.689 74 HD22 ASN 8 2HD2 ASN 8 -1.233 10.528 -11.489 75 H HIS 9 H HIS 9 0.558 7.035 -7.429 76 HA HIS 9 HA HIS 9 1.900 6.648 -9.818 77 HB2 HIS 9 2HB HIS 9 2.874 6.305 -7.538 78 HB3 HIS 9 1HB HIS 9 1.998 4.782 -7.411 79 HD1 HIS 9 HD1 HIS 9 5.205 6.080 -8.421 80 HD2 HIS 9 HD2 HIS 9 2.826 2.903 -9.587 81 HE1 HIS 9 HE1 HIS 9 6.743 4.506 -9.601 82 HE2 HIS 9 HE2 HIS 9 5.321 2.467 -10.007 83 H ILE 10 H ILE 10 0.033 4.027 -8.113 84 HA ILE 10 HA ILE 10 -0.107 2.539 -10.608 85 HB ILE 10 HB ILE 10 -1.457 0.845 -9.319 86 HG12 ILE 10 2HG1 ILE 10 -1.021 1.075 -6.684 87 HG13 ILE 10 1HG1 ILE 10 -1.027 2.790 -7.029 88 HG21 ILE 10 1HG2 ILE 10 0.481 -0.089 -8.109 89 HG22 ILE 10 2HG2 ILE 10 1.314 1.460 -8.271 90 HG23 ILE 10 3HG2 ILE 10 0.907 0.523 -9.710 91 HD11 ILE 10 1HD1 ILE 10 -3.165 2.033 -6.263 92 HD12 ILE 10 2HD1 ILE 10 -3.258 0.843 -7.561 93 HD13 ILE 10 3HD1 ILE 10 -3.282 2.570 -7.936 94 H ALA 11 H ALA 11 -2.242 4.716 -8.824 95 HA ALA 11 HA ALA 11 -4.714 4.223 -9.960 96 HB1 ALA 11 1HB ALA 11 -4.334 5.973 -8.258 97 HB2 ALA 11 2HB ALA 11 -5.266 6.574 -9.632 98 HB3 ALA 11 3HB ALA 11 -3.553 6.978 -9.482 99 H THR 12 H THR 12 -1.857 5.391 -11.549 100 HA THR 12 HA THR 12 -2.889 6.513 -13.898 101 HB THR 12 HB THR 12 -0.355 4.837 -13.589 102 HG1 THR 12 HG1 THR 12 -0.056 6.467 -12.205 103 HG21 THR 12 1HG2 THR 12 -1.037 6.990 -15.640 104 HG22 THR 12 2HG2 THR 12 -0.918 5.262 -15.975 105 HG23 THR 12 3HG2 THR 12 0.516 6.161 -15.487 106 H GLN 13 H GLN 13 -1.979 3.135 -13.201 107 HA GLN 13 HA GLN 13 -3.144 2.158 -15.714 108 HB2 GLN 13 2HB GLN 13 -2.082 -0.011 -15.082 109 HB3 GLN 13 1HB GLN 13 -0.926 1.315 -15.156 110 HG2 GLN 13 2HG GLN 13 -0.930 1.496 -12.703 111 HG3 GLN 13 1HG GLN 13 -2.134 0.216 -12.589 112 HE21 GLN 13 1HE2 GLN 13 0.536 0.311 -11.411 113 HE22 GLN 13 2HE2 GLN 13 1.394 -1.047 -12.043 114 H PHE 14 H PHE 14 -3.986 2.427 -12.404 115 HA PHE 14 HA PHE 14 -5.814 0.152 -12.387 116 HB2 PHE 14 2HB PHE 14 -4.336 1.666 -10.283 117 HB3 PHE 14 1HB PHE 14 -6.019 1.380 -9.849 118 HD1 PHE 14 HD1 PHE 14 -5.639 -0.195 -8.044 119 HD2 PHE 14 HD2 PHE 14 -3.916 -0.929 -11.906 120 HE1 PHE 14 HE1 PHE 14 -5.128 -2.512 -7.397 121 HE2 PHE 14 HE2 PHE 14 -3.402 -3.229 -11.234 122 HZ PHE 14 HZ PHE 14 -4.010 -4.028 -8.983 123 H LEU 15 H LEU 15 -5.872 3.654 -12.515 124 HA LEU 15 HA LEU 15 -8.851 3.651 -12.530 125 HB2 LEU 15 2HB LEU 15 -7.193 5.761 -11.096 126 HB3 LEU 15 1HB LEU 15 -8.935 5.560 -11.060 127 HG LEU 15 HG LEU 15 -6.929 3.681 -9.744 128 HD11 LEU 15 1HD1 LEU 15 -8.721 5.773 -8.458 129 HD12 LEU 15 2HD1 LEU 15 -6.980 5.923 -8.728 130 HD13 LEU 15 3HD1 LEU 15 -7.593 4.676 -7.658 131 HD21 LEU 15 1HD2 LEU 15 -9.970 3.732 -9.529 132 HD22 LEU 15 2HD2 LEU 15 -8.881 2.699 -8.598 133 HD23 LEU 15 3HD2 LEU 15 -8.998 2.502 -10.344 134 H ASP 16 H ASP 16 -6.491 4.139 -14.599 135 HA ASP 16 HA ASP 16 -6.335 5.279 -16.576 136 HB2 ASP 16 2HB ASP 16 -8.868 5.154 -16.551 137 HB3 ASP 16 1HB ASP 16 -8.910 6.704 -15.737 138 H GLY 17 H GLY 17 -5.279 6.344 -13.960 139 HA2 GLY 17 2HA GLY 17 -3.779 8.074 -13.503 140 HA3 GLY 17 1HA GLY 17 -4.390 8.982 -14.873 141 H GLU 18 H GLU 18 -7.009 7.941 -13.110 142 HA GLU 18 HA GLU 18 -7.355 10.624 -11.907 143 HB2 GLU 18 2HB GLU 18 -9.590 10.514 -12.481 144 HB3 GLU 18 1HB GLU 18 -9.016 9.361 -13.686 145 HG2 GLU 18 2HG GLU 18 -9.593 7.512 -12.076 146 HG3 GLU 18 1HG GLU 18 -10.306 8.721 -11.011 147 H LYS 19 H LYS 19 -8.170 10.761 -9.720 148 HA LYS 19 HA LYS 19 -7.794 8.371 -8.023 149 HB2 LYS 19 2HB LYS 19 -8.582 11.187 -7.202 150 HB3 LYS 19 1HB LYS 19 -8.123 9.862 -6.135 151 HG2 LYS 19 2HG LYS 19 -5.835 9.921 -7.433 152 HG3 LYS 19 1HG LYS 19 -6.361 11.532 -7.936 153 HD2 LYS 19 2HD LYS 19 -6.049 10.556 -5.077 154 HD3 LYS 19 1HD LYS 19 -4.960 11.666 -5.912 155 HE2 LYS 19 2HE LYS 19 -6.637 13.407 -5.954 156 HE3 LYS 19 1HE LYS 19 -7.904 12.294 -5.440 157 HZ1 LYS 19 1HZ LYS 19 -5.579 13.095 -3.790 158 HZ2 LYS 19 2HZ LYS 19 -6.859 12.102 -3.311 159 HZ3 LYS 19 3HZ LYS 19 -7.138 13.730 -3.660 160 H ASP 20 H ASP 20 -9.531 7.097 -7.703 161 HA ASP 20 HA ASP 20 -12.188 8.098 -7.270 162 HB2 ASP 20 2HB ASP 20 -12.109 8.272 -9.715 163 HB3 ASP 20 1HB ASP 20 -11.580 6.596 -9.851 164 H GLY 21 H GLY 21 -12.600 6.900 -5.542 165 HA2 GLY 21 2HA GLY 21 -13.372 5.043 -4.401 166 HA3 GLY 21 1HA GLY 21 -12.818 4.004 -5.706 167 H LEU 22 H LEU 22 -10.123 5.154 -5.710 168 HA LEU 22 HA LEU 22 -8.953 3.712 -3.469 169 HB2 LEU 22 2HB LEU 22 -8.185 3.317 -5.807 170 HB3 LEU 22 1HB LEU 22 -7.714 4.999 -5.927 171 HG LEU 22 HG LEU 22 -6.011 4.578 -4.078 172 HD11 LEU 22 1HD1 LEU 22 -7.006 2.576 -3.076 173 HD12 LEU 22 2HD1 LEU 22 -5.349 2.268 -3.580 174 HD13 LEU 22 3HD1 LEU 22 -6.693 1.654 -4.549 175 HD21 LEU 22 1HD2 LEU 22 -4.384 3.529 -5.569 176 HD22 LEU 22 2HD2 LEU 22 -5.377 4.687 -6.448 177 HD23 LEU 22 3HD2 LEU 22 -5.680 2.953 -6.626 178 H ASP 23 H ASP 23 -8.983 4.981 -1.726 179 HA ASP 23 HA ASP 23 -7.053 7.183 -1.758 180 HB2 ASP 23 2HB ASP 23 -9.373 8.219 -1.650 181 HB3 ASP 23 1HB ASP 23 -9.661 7.337 -0.151 182 H SER 24 H SER 24 -5.996 7.430 0.291 183 HA SER 24 HA SER 24 -5.247 5.007 1.487 184 HB2 SER 24 2HB SER 24 -4.804 7.884 2.365 185 HB3 SER 24 1HB SER 24 -3.953 6.487 3.026 186 HG SER 24 HG SER 24 -3.134 6.069 0.951 187 H GLN 25 H GLN 25 -7.542 7.521 2.583 188 HA GLN 25 HA GLN 25 -8.075 6.361 5.158 189 HB2 GLN 25 2HB GLN 25 -9.751 8.332 3.531 190 HB3 GLN 25 1HB GLN 25 -9.992 7.951 5.237 191 HG2 GLN 25 2HG GLN 25 -7.816 8.920 5.794 192 HG3 GLN 25 1HG GLN 25 -7.495 9.237 4.090 193 HE21 GLN 25 1HE2 GLN 25 -9.438 10.194 6.856 194 HE22 GLN 25 2HE2 GLN 25 -9.937 11.717 6.211 195 H THR 26 H THR 26 -9.104 5.580 1.984 196 HA THR 26 HA THR 26 -11.743 4.614 2.545 197 HB THR 26 HB THR 26 -9.908 4.165 0.143 198 HG1 THR 26 HG1 THR 26 -11.780 5.711 -0.614 199 HG21 THR 26 1HG2 THR 26 -11.990 3.564 -1.090 200 HG22 THR 26 2HG2 THR 26 -12.876 3.580 0.443 201 HG23 THR 26 3HG2 THR 26 -11.592 2.397 0.168 202 HA PRO 27 HA PRO 27 -10.476 0.394 3.815 203 HB2 PRO 27 2HB PRO 27 -12.926 -0.823 3.551 204 HB3 PRO 27 1HB PRO 27 -12.507 0.199 4.949 205 HG2 PRO 27 2HG PRO 27 -14.111 0.919 2.506 206 HG3 PRO 27 1HG PRO 27 -14.418 1.333 4.206 207 HD2 PRO 27 2HD PRO 27 -13.286 3.092 2.465 208 HD3 PRO 27 1HD PRO 27 -12.886 3.094 4.187 209 H LEU 28 H LEU 28 -9.161 -0.126 2.135 210 HA LEU 28 HA LEU 28 -9.891 -0.198 -0.608 211 HB2 LEU 28 2HB LEU 28 -7.419 -1.358 0.735 212 HB3 LEU 28 1HB LEU 28 -7.599 -1.025 -0.983 213 HG LEU 28 HG LEU 28 -7.474 1.042 1.254 214 HD11 LEU 28 1HD1 LEU 28 -5.386 1.771 0.211 215 HD12 LEU 28 2HD1 LEU 28 -5.514 0.487 -0.994 216 HD13 LEU 28 3HD1 LEU 28 -5.291 0.084 0.712 217 HD21 LEU 28 1HD2 LEU 28 -7.913 1.494 -1.713 218 HD22 LEU 28 2HD2 LEU 28 -7.554 2.755 -0.530 219 HD23 LEU 28 3HD2 LEU 28 -9.049 1.835 -0.404 220 H PHE 29 H PHE 29 -9.844 -2.608 1.910 221 HA PHE 29 HA PHE 29 -10.165 -4.847 0.085 222 HB2 PHE 29 2HB PHE 29 -9.522 -4.532 2.952 223 HB3 PHE 29 1HB PHE 29 -10.765 -5.763 2.728 224 HD1 PHE 29 HD1 PHE 29 -7.677 -4.689 0.913 225 HD2 PHE 29 HD2 PHE 29 -9.889 -7.939 2.603 226 HE1 PHE 29 HE1 PHE 29 -5.975 -6.239 0.179 227 HE2 PHE 29 HE2 PHE 29 -8.152 -9.504 1.850 228 HZ PHE 29 HZ PHE 29 -6.197 -8.660 0.622 229 H GLU 30 H GLU 30 -12.192 -3.072 2.402 230 HA GLU 30 HA GLU 30 -14.438 -4.790 2.200 231 HB2 GLU 30 2HB GLU 30 -14.271 -1.882 3.069 232 HB3 GLU 30 1HB GLU 30 -15.674 -2.925 3.314 233 HG2 GLU 30 2HG GLU 30 -14.293 -4.445 4.705 234 HG3 GLU 30 1HG GLU 30 -12.907 -3.380 4.476 235 H LEU 31 H LEU 31 -13.407 -1.998 0.344 236 HA LEU 31 HA LEU 31 -15.781 -2.169 -1.397 237 HB2 LEU 31 2HB LEU 31 -13.445 -0.237 -1.588 238 HB3 LEU 31 1HB LEU 31 -14.989 -0.130 -2.415 239 HG LEU 31 HG LEU 31 -14.386 0.404 0.506 240 HD11 LEU 31 1HD1 LEU 31 -15.363 2.568 0.068 241 HD12 LEU 31 2HD1 LEU 31 -15.751 2.105 -1.590 242 HD13 LEU 31 3HD1 LEU 31 -14.066 2.238 -1.078 243 HD21 LEU 31 1HD2 LEU 31 -17.160 0.023 -0.664 244 HD22 LEU 31 2HD2 LEU 31 -16.803 0.706 0.927 245 HD23 LEU 31 3HD2 LEU 31 -16.379 -0.967 0.577 246 H ASN 32 H ASN 32 -12.529 -3.289 -1.223 247 HA ASN 32 HA ASN 32 -11.297 -4.708 -2.476 248 HB2 ASN 32 2HB ASN 32 -13.867 -5.011 -4.105 249 HB3 ASN 32 1HB ASN 32 -12.435 -6.011 -4.344 250 HD21 ASN 32 1HD2 ASN 32 -11.822 -7.452 -2.667 251 HD22 ASN 32 2HD2 ASN 32 -12.975 -7.980 -1.498 252 H ILE 33 H ILE 33 -11.114 -1.941 -2.951 253 HA ILE 33 HA ILE 33 -11.229 -1.211 -5.678 254 HB ILE 33 HB ILE 33 -9.510 0.058 -3.491 255 HG12 ILE 33 2HG1 ILE 33 -11.920 -0.059 -2.819 256 HG13 ILE 33 1HG1 ILE 33 -11.400 1.599 -3.086 257 HG21 ILE 33 1HG2 ILE 33 -9.702 2.115 -4.904 258 HG22 ILE 33 2HG2 ILE 33 -10.515 1.174 -6.153 259 HG23 ILE 33 3HG2 ILE 33 -8.840 0.814 -5.722 260 HD11 ILE 33 1HD1 ILE 33 -13.017 -0.072 -5.010 261 HD12 ILE 33 2HD1 ILE 33 -12.508 1.600 -5.267 262 HD13 ILE 33 3HD1 ILE 33 -13.623 1.207 -3.961 263 H VAL 34 H VAL 34 -8.401 -2.010 -3.637 264 HA VAL 34 HA VAL 34 -6.678 -2.115 -6.041 265 HB VAL 34 HB VAL 34 -6.007 -0.609 -4.128 266 HG11 VAL 34 1HG1 VAL 34 -5.086 -1.517 -2.050 267 HG12 VAL 34 2HG1 VAL 34 -5.443 -3.165 -2.573 268 HG13 VAL 34 3HG1 VAL 34 -6.765 -2.042 -2.237 269 HG21 VAL 34 1HG2 VAL 34 -3.602 -1.221 -4.122 270 HG22 VAL 34 2HG2 VAL 34 -4.307 -1.369 -5.732 271 HG23 VAL 34 3HG2 VAL 34 -4.006 -2.816 -4.768 272 H ASP 35 H ASP 35 -5.311 -3.909 -6.402 273 HA ASP 35 HA ASP 35 -6.123 -6.454 -5.108 274 HB2 ASP 35 2HB ASP 35 -6.605 -6.212 -7.563 275 HB3 ASP 35 1HB ASP 35 -4.893 -6.021 -7.877 276 H SER 36 H SER 36 -4.457 -8.098 -5.116 277 HA SER 36 HA SER 36 -2.205 -7.478 -3.607 278 HB2 SER 36 2HB SER 36 -3.035 -9.668 -3.378 279 HB3 SER 36 1HB SER 36 -3.094 -9.924 -5.122 280 H ALA 37 H ALA 37 -2.554 -7.682 -7.087 281 HA ALA 37 HA ALA 37 0.129 -7.984 -7.883 282 HB1 ALA 37 1HB ALA 37 -2.125 -6.612 -9.395 283 HB2 ALA 37 2HB ALA 37 -1.777 -8.342 -9.401 284 HB3 ALA 37 3HB ALA 37 -0.616 -7.207 -10.092 285 H ALA 38 H ALA 38 -1.723 -5.065 -7.031 286 HA ALA 38 HA ALA 38 0.336 -3.202 -7.906 287 HB1 ALA 38 1HB ALA 38 -1.147 -1.457 -6.994 288 HB2 ALA 38 2HB ALA 38 -2.207 -2.703 -6.322 289 HB3 ALA 38 3HB ALA 38 -2.017 -2.552 -8.068 290 H ILE 39 H ILE 39 -0.273 -5.040 -5.076 291 HA ILE 39 HA ILE 39 0.548 -3.307 -3.006 292 HB ILE 39 HB ILE 39 0.675 -6.357 -3.141 293 HG12 ILE 39 2HG1 ILE 39 -1.598 -5.497 -3.489 294 HG13 ILE 39 1HG1 ILE 39 -1.489 -6.292 -1.929 295 HG21 ILE 39 1HG2 ILE 39 0.823 -4.569 -0.680 296 HG22 ILE 39 2HG2 ILE 39 2.122 -5.575 -1.322 297 HG23 ILE 39 3HG2 ILE 39 0.675 -6.328 -0.652 298 HD11 ILE 39 1HD1 ILE 39 -2.831 -4.316 -1.807 299 HD12 ILE 39 2HD1 ILE 39 -1.505 -3.321 -2.413 300 HD13 ILE 39 3HD1 ILE 39 -1.372 -4.124 -0.842 301 H PHE 40 H PHE 40 2.376 -5.449 -5.160 302 HA PHE 40 HA PHE 40 4.882 -5.405 -3.875 303 HB2 PHE 40 2HB PHE 40 4.170 -6.933 -5.776 304 HB3 PHE 40 1HB PHE 40 4.371 -5.587 -6.886 305 HD1 PHE 40 HD1 PHE 40 6.231 -7.675 -4.388 306 HD2 PHE 40 HD2 PHE 40 6.535 -5.191 -7.867 307 HE1 PHE 40 HE1 PHE 40 8.596 -8.282 -4.630 308 HE2 PHE 40 HE2 PHE 40 8.905 -5.814 -8.096 309 HZ PHE 40 HZ PHE 40 9.936 -7.359 -6.479 310 H ASP 41 H ASP 41 3.308 -3.095 -6.001 311 HA ASP 41 HA ASP 41 5.607 -1.387 -6.412 312 HB2 ASP 41 2HB ASP 41 3.794 -1.538 -8.090 313 HB3 ASP 41 1HB ASP 41 2.638 -0.906 -6.920 314 H LEU 42 H LEU 42 2.604 -1.241 -4.450 315 HA LEU 42 HA LEU 42 3.011 1.203 -3.134 316 HB2 LEU 42 2HB LEU 42 1.609 -1.289 -2.087 317 HB3 LEU 42 1HB LEU 42 1.430 0.323 -1.406 318 HG LEU 42 HG LEU 42 0.536 -0.542 -4.190 319 HD11 LEU 42 1HD1 LEU 42 -0.880 -1.494 -2.452 320 HD12 LEU 42 2HD1 LEU 42 -1.746 -0.265 -3.368 321 HD13 LEU 42 3HD1 LEU 42 -1.141 0.108 -1.750 322 HD21 LEU 42 1HD2 LEU 42 0.206 2.159 -2.839 323 HD22 LEU 42 2HD2 LEU 42 -0.526 1.673 -4.372 324 HD23 LEU 42 3HD2 LEU 42 1.225 1.796 -4.237 325 H VAL 43 H VAL 43 4.215 -2.020 -2.459 326 HA VAL 43 HA VAL 43 5.541 -1.593 -0.010 327 HB VAL 43 HB VAL 43 5.939 -3.593 -2.271 328 HG11 VAL 43 1HG1 VAL 43 7.665 -3.486 0.238 329 HG12 VAL 43 2HG1 VAL 43 8.227 -3.223 -1.412 330 HG13 VAL 43 3HG1 VAL 43 7.639 -4.813 -0.926 331 HG21 VAL 43 1HG2 VAL 43 5.081 -3.881 0.620 332 HG22 VAL 43 2HG2 VAL 43 5.201 -5.187 -0.556 333 HG23 VAL 43 3HG2 VAL 43 4.024 -3.900 -0.795 334 H ASP 44 H ASP 44 6.766 -1.492 -3.414 335 HA ASP 44 HA ASP 44 9.432 -0.908 -2.939 336 HB2 ASP 44 2HB ASP 44 8.397 -1.339 -5.205 337 HB3 ASP 44 1HB ASP 44 7.800 0.302 -5.211 338 H PHE 45 H PHE 45 6.662 1.218 -3.091 339 HA PHE 45 HA PHE 45 8.015 3.662 -2.941 340 HB2 PHE 45 2HB PHE 45 5.654 3.309 -3.739 341 HB3 PHE 45 1HB PHE 45 5.167 2.991 -2.079 342 HD1 PHE 45 HD1 PHE 45 6.359 5.594 -4.432 343 HD2 PHE 45 HD2 PHE 45 4.850 4.828 -0.499 344 HE1 PHE 45 HE1 PHE 45 5.971 7.989 -4.109 345 HE2 PHE 45 HE2 PHE 45 4.471 7.229 -0.197 346 HZ PHE 45 HZ PHE 45 5.034 8.811 -1.992 347 H LEU 46 H LEU 46 6.261 1.776 -0.376 348 HA LEU 46 HA LEU 46 6.833 3.561 1.760 349 HB2 LEU 46 2HB LEU 46 6.073 0.621 1.905 350 HB3 LEU 46 1HB LEU 46 6.077 1.722 3.276 351 HG LEU 46 HG LEU 46 4.229 1.859 0.859 352 HD11 LEU 46 1HD1 LEU 46 2.441 1.361 2.461 353 HD12 LEU 46 2HD1 LEU 46 3.626 1.211 3.762 354 HD13 LEU 46 3HD1 LEU 46 3.643 0.074 2.410 355 HD21 LEU 46 1HD2 LEU 46 4.349 3.753 3.235 356 HD22 LEU 46 2HD2 LEU 46 3.089 3.730 1.998 357 HD23 LEU 46 3HD2 LEU 46 4.742 4.140 1.557 358 H ARG 47 H ARG 47 8.510 0.615 0.720 359 HA ARG 47 HA ARG 47 10.251 0.402 2.963 360 HB2 ARG 47 2HB ARG 47 11.439 -1.307 1.683 361 HB3 ARG 47 1HB ARG 47 9.713 -1.557 1.507 362 HG2 ARG 47 2HG ARG 47 9.750 -0.660 -0.736 363 HG3 ARG 47 1HG ARG 47 11.434 -0.178 -0.580 364 HD2 ARG 47 2HD ARG 47 10.526 -3.072 -0.412 365 HD3 ARG 47 1HD ARG 47 10.970 -2.288 -1.931 366 HE ARG 47 HE ARG 47 12.918 -2.261 0.270 367 HH11 ARG 47 1HH1 ARG 47 12.012 -3.533 -2.880 368 HH12 ARG 47 2HH1 ARG 47 13.595 -4.162 -3.214 369 HH21 ARG 47 1HH2 ARG 47 15.002 -3.086 -0.188 370 HH22 ARG 47 2HH2 ARG 47 15.284 -3.911 -1.694 371 H GLN 48 H GLN 48 10.341 2.093 -0.083 372 HA GLN 48 HA GLN 48 13.079 2.888 -0.109 373 HB2 GLN 48 2HB GLN 48 11.624 2.842 -2.122 374 HB3 GLN 48 1HB GLN 48 10.623 4.115 -1.436 375 HG2 GLN 48 2HG GLN 48 12.649 5.626 -1.493 376 HG3 GLN 48 1HG GLN 48 13.502 4.343 -2.354 377 HE21 GLN 48 1HE2 GLN 48 10.089 5.206 -2.816 378 HE22 GLN 48 2HE2 GLN 48 10.279 5.785 -4.429 379 H GLU 49 H GLU 49 10.020 4.434 0.929 380 HA GLU 49 HA GLU 49 11.142 6.911 1.757 381 HB2 GLU 49 2HB GLU 49 8.495 5.633 2.589 382 HB3 GLU 49 1HB GLU 49 8.936 7.316 2.841 383 HG2 GLU 49 2HG GLU 49 8.420 5.930 0.199 384 HG3 GLU 49 1HG GLU 49 7.436 7.181 0.947 385 H SER 50 H SER 50 10.393 3.919 3.433 386 HA SER 50 HA SER 50 11.224 4.853 6.057 387 HB2 SER 50 2HB SER 50 10.431 2.057 5.112 388 HB3 SER 50 1HB SER 50 10.649 2.552 6.793 389 HG SER 50 HG SER 50 8.707 3.519 4.958 390 H LYS 51 H LYS 51 12.871 3.718 3.346 391 HA LYS 51 HA LYS 51 14.991 3.139 2.866 392 HB2 LYS 51 2HB LYS 51 15.552 4.191 5.679 393 HB3 LYS 51 1HB LYS 51 16.780 3.919 4.449 394 HG2 LYS 51 2HG LYS 51 14.492 5.916 4.226 395 HG3 LYS 51 1HG LYS 51 16.160 6.313 4.655 396 HD2 LYS 51 2HD LYS 51 16.961 5.675 2.470 397 HD3 LYS 51 1HD LYS 51 15.402 4.971 2.034 398 HE2 LYS 51 2HE LYS 51 15.744 7.139 0.928 399 HE3 LYS 51 1HE LYS 51 14.376 7.204 2.036 400 HZ1 LYS 51 1HZ LYS 51 17.097 8.170 2.685 401 HZ2 LYS 51 2HZ LYS 51 15.709 8.349 3.622 402 HZ3 LYS 51 3HZ LYS 51 15.836 9.160 2.148 403 H VAL 52 H VAL 52 13.210 1.136 4.165 404 HA VAL 52 HA VAL 52 15.220 -0.784 5.202 405 HB VAL 52 HB VAL 52 13.370 -1.862 6.488 406 HG11 VAL 52 1HG1 VAL 52 13.279 -0.260 8.331 407 HG12 VAL 52 2HG1 VAL 52 13.787 1.038 7.250 408 HG13 VAL 52 3HG1 VAL 52 14.892 -0.289 7.617 409 HG21 VAL 52 1HG2 VAL 52 11.225 -0.672 6.898 410 HG22 VAL 52 2HG2 VAL 52 11.412 -1.135 5.205 411 HG23 VAL 52 3HG2 VAL 52 11.688 0.536 5.694 412 H SER 53 H SER 53 14.794 -3.022 4.648 413 HA SER 53 HA SER 53 13.110 -3.412 2.234 414 HB2 SER 53 2HB SER 53 15.593 -4.047 2.122 415 HB3 SER 53 1HB SER 53 15.252 -5.330 3.284 416 HG SER 53 HG SER 53 15.071 -6.187 1.247 417 H ILE 54 H ILE 54 11.826 -5.346 2.173 418 HA ILE 54 HA ILE 54 10.798 -6.247 4.807 419 HB ILE 54 HB ILE 54 9.325 -4.454 4.055 420 HG12 ILE 54 2HG1 ILE 54 7.977 -7.155 3.554 421 HG13 ILE 54 1HG1 ILE 54 8.183 -6.386 5.120 422 HG21 ILE 54 1HG2 ILE 54 9.897 -4.441 1.666 423 HG22 ILE 54 2HG2 ILE 54 8.149 -4.461 1.900 424 HG23 ILE 54 3HG2 ILE 54 8.989 -5.941 1.432 425 HD11 ILE 54 1HD1 ILE 54 6.459 -5.377 2.856 426 HD12 ILE 54 2HD1 ILE 54 6.672 -4.581 4.419 427 HD13 ILE 54 3HD1 ILE 54 5.915 -6.171 4.332 428 H GLY 55 H GLY 55 9.893 -8.344 4.824 429 HA2 GLY 55 2HA GLY 55 10.828 -10.178 2.800 430 HA3 GLY 55 1HA GLY 55 9.928 -10.581 4.252 431 H MET 56 H MET 56 9.617 -11.415 1.383 432 HA MET 56 HA MET 56 7.348 -10.385 0.133 433 HB2 MET 56 2HB MET 56 8.550 -13.173 0.126 434 HB3 MET 56 1HB MET 56 7.162 -12.770 -0.875 435 HG2 MET 56 2HG MET 56 9.422 -10.897 -1.240 436 HG3 MET 56 1HG MET 56 9.801 -12.565 -1.658 437 HE1 MET 56 1HE MET 56 6.389 -10.152 -3.689 438 HE2 MET 56 2HE MET 56 7.530 -9.418 -2.561 439 HE3 MET 56 3HE MET 56 6.348 -10.592 -1.981 440 H GLN 57 H GLN 57 7.543 -12.625 2.826 441 HA GLN 57 HA GLN 57 4.818 -13.528 2.731 442 HB2 GLN 57 2HB GLN 57 6.691 -13.640 5.126 443 HB3 GLN 57 1HB GLN 57 5.322 -14.692 4.788 444 HG2 GLN 57 2HG GLN 57 7.915 -14.615 3.200 445 HG3 GLN 57 1HG GLN 57 7.506 -15.805 4.428 446 HE21 GLN 57 1HE2 GLN 57 7.838 -17.453 2.914 447 HE22 GLN 57 2HE2 GLN 57 6.684 -17.813 1.678 448 H GLU 58 H GLU 58 6.533 -10.849 4.245 449 HA GLU 58 HA GLU 58 4.351 -10.038 5.979 450 HB2 GLU 58 2HB GLU 58 6.791 -8.427 5.136 451 HB3 GLU 58 1HB GLU 58 5.749 -8.131 6.528 452 HG2 GLU 58 2HG GLU 58 6.541 -10.318 7.503 453 HG3 GLU 58 1HG GLU 58 7.670 -10.455 6.149 454 H ILE 59 H ILE 59 5.466 -9.432 2.722 455 HA ILE 59 HA ILE 59 3.807 -7.157 2.182 456 HB ILE 59 HB ILE 59 4.993 -9.151 0.190 457 HG12 ILE 59 2HG1 ILE 59 6.076 -6.432 1.080 458 HG13 ILE 59 1HG1 ILE 59 6.724 -7.984 1.589 459 HG21 ILE 59 1HG2 ILE 59 4.643 -7.287 -1.457 460 HG22 ILE 59 2HG2 ILE 59 3.760 -6.399 -0.212 461 HG23 ILE 59 3HG2 ILE 59 3.139 -7.939 -0.805 462 HD11 ILE 59 1HD1 ILE 59 7.366 -8.477 -0.716 463 HD12 ILE 59 2HD1 ILE 59 8.081 -6.976 -0.130 464 HD13 ILE 59 3HD1 ILE 59 6.702 -6.920 -1.229 465 H HIS 60 H HIS 60 1.703 -7.431 2.528 466 HA HIS 60 HA HIS 60 0.205 -9.498 1.111 467 HB2 HIS 60 2HB HIS 60 0.528 -9.413 4.066 468 HB3 HIS 60 1HB HIS 60 -1.164 -9.357 3.593 469 HD1 HIS 60 HD1 HIS 60 1.903 -11.560 3.059 470 HD2 HIS 60 HD2 HIS 60 -2.250 -11.752 2.963 471 HE1 HIS 60 HE1 HIS 60 1.351 -13.995 2.778 472 HE2 HIS 60 HE2 HIS 60 -1.160 -14.059 2.592 473 HA PRO 61 HA PRO 61 -2.416 -5.925 0.379 474 HB2 PRO 61 2HB PRO 61 -4.676 -7.296 -0.507 475 HB3 PRO 61 1HB PRO 61 -3.262 -6.960 -1.522 476 HG2 PRO 61 2HG PRO 61 -3.980 -9.473 -0.068 477 HG3 PRO 61 1HG PRO 61 -3.305 -9.271 -1.698 478 HD2 PRO 61 2HD PRO 61 -1.764 -9.987 0.419 479 HD3 PRO 61 1HD PRO 61 -1.127 -8.987 -0.899 480 H ALA 62 H ALA 62 -3.370 -8.699 2.380 481 HA ALA 62 HA ALA 62 -5.504 -7.612 3.834 482 HB1 ALA 62 1HB ALA 62 -4.933 -9.262 5.590 483 HB2 ALA 62 2HB ALA 62 -3.377 -9.547 4.804 484 HB3 ALA 62 3HB ALA 62 -4.873 -9.983 3.979 485 H ASN 63 H ASN 63 -2.021 -7.206 4.184 486 HA ASN 63 HA ASN 63 -2.156 -5.548 6.561 487 HB2 ASN 63 2HB ASN 63 0.136 -6.234 4.673 488 HB3 ASN 63 1HB ASN 63 0.325 -5.201 6.086 489 HD21 ASN 63 1HD2 ASN 63 1.662 -7.663 5.545 490 HD22 ASN 63 2HD2 ASN 63 1.258 -8.764 6.808 491 H PHE 64 H PHE 64 -2.246 -5.039 3.101 492 HA PHE 64 HA PHE 64 -1.975 -2.102 3.407 493 HB2 PHE 64 2HB PHE 64 -1.928 -3.933 0.960 494 HB3 PHE 64 1HB PHE 64 -2.042 -2.180 0.828 495 HD1 PHE 64 HD1 PHE 64 0.096 -4.825 2.386 496 HD2 PHE 64 HD2 PHE 64 -0.048 -0.938 0.629 497 HE1 PHE 64 HE1 PHE 64 2.532 -4.721 2.443 498 HE2 PHE 64 HE2 PHE 64 2.405 -0.833 0.714 499 HZ PHE 64 HZ PHE 64 3.693 -2.726 1.619 500 H ALA 65 H ALA 65 -4.341 -3.884 4.185 501 HA ALA 65 HA ALA 65 -6.529 -3.540 2.471 502 HB1 ALA 65 1HB ALA 65 -6.495 -5.141 4.341 503 HB2 ALA 65 2HB ALA 65 -7.926 -4.111 4.414 504 HB3 ALA 65 3HB ALA 65 -6.564 -3.813 5.502 505 H THR 66 H THR 66 -5.104 -1.346 4.804 506 HA THR 66 HA THR 66 -6.649 0.926 3.789 507 HB THR 66 HB THR 66 -6.990 1.852 6.140 508 HG1 THR 66 HG1 THR 66 -7.046 -0.318 7.612 509 HG21 THR 66 1HG2 THR 66 -8.482 -0.752 5.634 510 HG22 THR 66 2HG2 THR 66 -8.928 0.834 4.999 511 HG23 THR 66 3HG2 THR 66 -8.984 0.532 6.734 512 H VAL 67 H VAL 67 -5.594 3.047 4.713 513 HA VAL 67 HA VAL 67 -2.770 2.999 4.487 514 HB VAL 67 HB VAL 67 -4.133 5.054 4.076 515 HG11 VAL 67 1HG1 VAL 67 -4.335 5.314 7.097 516 HG12 VAL 67 2HG1 VAL 67 -5.669 5.025 5.980 517 HG13 VAL 67 3HG1 VAL 67 -4.796 6.557 5.929 518 HG21 VAL 67 1HG2 VAL 67 -1.858 5.456 6.054 519 HG22 VAL 67 2HG2 VAL 67 -2.485 6.682 4.948 520 HG23 VAL 67 3HG2 VAL 67 -1.695 5.240 4.309 521 H GLN 68 H GLN 68 -4.919 2.961 7.302 522 HA GLN 68 HA GLN 68 -2.958 3.352 9.313 523 HB2 GLN 68 2HB GLN 68 -5.720 2.056 9.480 524 HB3 GLN 68 1HB GLN 68 -4.760 2.566 10.870 525 HG2 GLN 68 2HG GLN 68 -4.930 4.900 10.204 526 HG3 GLN 68 1HG GLN 68 -5.744 4.450 8.701 527 HE21 GLN 68 1HE2 GLN 68 -7.580 5.674 9.166 528 HE22 GLN 68 2HE2 GLN 68 -8.709 5.238 10.393 529 H SER 69 H SER 69 -4.152 0.535 7.601 530 HA SER 69 HA SER 69 -2.914 -1.410 9.310 531 HB2 SER 69 2HB SER 69 -4.956 -1.841 7.853 532 HB3 SER 69 1HB SER 69 -3.886 -1.818 6.449 533 HG SER 69 HG SER 69 -3.608 -3.851 6.905 534 H MET 70 H MET 70 -2.097 0.126 6.158 535 HA MET 70 HA MET 70 0.154 -1.580 5.658 536 HB2 MET 70 2HB MET 70 0.495 -0.376 3.622 537 HB3 MET 70 1HB MET 70 -1.245 -0.511 3.850 538 HG2 MET 70 2HG MET 70 -1.329 1.827 4.601 539 HG3 MET 70 1HG MET 70 0.415 1.962 4.391 540 HE1 MET 70 1HE MET 70 -2.516 1.314 0.857 541 HE2 MET 70 2HE MET 70 -3.036 1.399 2.542 542 HE3 MET 70 3HE MET 70 -2.100 0.015 1.975 543 H VAL 71 H VAL 71 -0.210 1.681 7.011 544 HA VAL 71 HA VAL 71 2.580 2.305 6.989 545 HB VAL 71 HB VAL 71 0.775 4.069 7.104 546 HG11 VAL 71 1HG1 VAL 71 0.530 3.333 10.036 547 HG12 VAL 71 2HG1 VAL 71 -0.702 3.075 8.804 548 HG13 VAL 71 3HG1 VAL 71 -0.235 4.717 9.250 549 HG21 VAL 71 1HG2 VAL 71 2.918 4.231 9.259 550 HG22 VAL 71 2HG2 VAL 71 2.064 5.611 8.564 551 HG23 VAL 71 3HG2 VAL 71 3.128 4.634 7.552 552 H ALA 72 H ALA 72 0.332 0.894 9.310 553 HA ALA 72 HA ALA 72 2.114 0.894 11.544 554 HB1 ALA 72 1HB ALA 72 0.363 -0.400 12.672 555 HB2 ALA 72 2HB ALA 72 -0.482 -0.619 11.135 556 HB3 ALA 72 3HB ALA 72 -0.323 0.995 11.831 557 H LEU 73 H LEU 73 1.330 -1.361 8.939 558 HA LEU 73 HA LEU 73 2.479 -3.747 9.879 559 HB2 LEU 73 2HB LEU 73 1.353 -4.154 7.882 560 HB3 LEU 73 1HB LEU 73 1.675 -2.548 7.260 561 HG LEU 73 HG LEU 73 4.091 -3.420 6.807 562 HD11 LEU 73 1HD1 LEU 73 4.032 -5.477 8.066 563 HD12 LEU 73 2HD1 LEU 73 4.317 -5.818 6.359 564 HD13 LEU 73 3HD1 LEU 73 2.720 -6.103 7.058 565 HD21 LEU 73 1HD2 LEU 73 1.809 -4.434 5.122 566 HD22 LEU 73 2HD2 LEU 73 3.483 -4.222 4.608 567 HD23 LEU 73 3HD2 LEU 73 2.522 -2.820 5.072 568 H VAL 74 H VAL 74 3.797 -1.031 7.991 569 HA VAL 74 HA VAL 74 6.465 -1.871 7.841 570 HB VAL 74 HB VAL 74 5.418 1.004 7.893 571 HG11 VAL 74 1HG1 VAL 74 7.548 1.620 6.748 572 HG12 VAL 74 2HG1 VAL 74 8.119 -0.040 6.930 573 HG13 VAL 74 3HG1 VAL 74 7.841 0.958 8.357 574 HG21 VAL 74 1HG2 VAL 74 6.011 -0.795 5.498 575 HG22 VAL 74 2HG2 VAL 74 5.510 0.896 5.410 576 HG23 VAL 74 3HG2 VAL 74 4.408 -0.316 6.060 577 H GLN 75 H GLN 75 4.812 0.190 10.281 578 HA GLN 75 HA GLN 75 7.119 0.697 11.869 579 HB2 GLN 75 2HB GLN 75 4.219 0.681 12.818 580 HB3 GLN 75 1HB GLN 75 5.573 1.489 13.595 581 HG2 GLN 75 2HG GLN 75 4.427 2.213 10.884 582 HG3 GLN 75 1HG GLN 75 4.074 3.046 12.390 583 HE21 GLN 75 1HE2 GLN 75 4.813 4.997 11.584 584 HE22 GLN 75 2HE2 GLN 75 6.480 5.329 11.320 585 H ARG 76 H ARG 76 5.029 -2.111 11.700 586 HA ARG 76 HA ARG 76 5.663 -3.239 14.278 587 HB2 ARG 76 2HB ARG 76 4.413 -4.437 11.769 588 HB3 ARG 76 1HB ARG 76 4.723 -5.400 13.210 589 HG2 ARG 76 2HG ARG 76 2.897 -2.981 13.062 590 HG3 ARG 76 1HG ARG 76 2.388 -4.668 13.111 591 HD2 ARG 76 2HD ARG 76 3.307 -4.924 15.357 592 HD3 ARG 76 1HD ARG 76 3.956 -3.280 15.318 593 HE ARG 76 HE ARG 76 1.594 -2.509 15.148 594 HH11 ARG 76 1HH1 ARG 76 2.247 -5.622 16.648 595 HH12 ARG 76 2HH1 ARG 76 0.806 -5.595 17.610 596 HH21 ARG 76 1HH2 ARG 76 -0.302 -2.503 16.437 597 HH22 ARG 76 2HH2 ARG 76 -0.617 -3.845 17.490 598 H LEU 77 H LEU 77 6.762 -3.869 10.913 599 HA LEU 77 HA LEU 77 8.778 -5.738 11.717 600 HB2 LEU 77 2HB LEU 77 9.613 -5.575 9.368 601 HB3 LEU 77 1HB LEU 77 7.921 -5.993 9.523 602 HG LEU 77 HG LEU 77 7.515 -3.423 9.058 603 HD11 LEU 77 1HD1 LEU 77 10.282 -3.705 7.845 604 HD12 LEU 77 2HD1 LEU 77 9.787 -2.610 9.143 605 HD13 LEU 77 3HD1 LEU 77 9.145 -2.390 7.520 606 HD21 LEU 77 1HD2 LEU 77 7.354 -3.860 6.659 607 HD22 LEU 77 2HD2 LEU 77 6.724 -5.193 7.620 608 HD23 LEU 77 3HD2 LEU 77 8.310 -5.333 6.856 609 H LYS 78 H LYS 78 8.733 -2.250 11.310 610 HA LYS 78 HA LYS 78 11.490 -1.653 11.472 611 HB2 LYS 78 2HB LYS 78 9.056 -0.076 12.410 612 HB3 LYS 78 1HB LYS 78 10.684 0.583 12.437 613 HG2 LYS 78 2HG LYS 78 9.267 -0.361 9.922 614 HG3 LYS 78 1HG LYS 78 9.263 1.310 10.478 615 HD2 LYS 78 2HD LYS 78 11.775 -0.261 9.806 616 HD3 LYS 78 1HD LYS 78 10.934 0.794 8.668 617 HE2 LYS 78 2HE LYS 78 12.076 1.716 11.326 618 HE3 LYS 78 1HE LYS 78 12.886 1.893 9.765 619 HZ1 LYS 78 1HZ LYS 78 11.026 3.240 9.009 620 HZ2 LYS 78 2HZ LYS 78 11.735 3.904 10.386 621 HZ3 LYS 78 3HZ LYS 78 10.271 3.076 10.517 622 H ALA 79 H ALA 79 8.996 -2.176 13.936 623 HA ALA 79 HA ALA 79 10.670 -1.700 16.219 624 HB1 ALA 79 1HB ALA 79 8.229 -1.368 16.334 625 HB2 ALA 79 2HB ALA 79 8.752 -2.557 17.526 626 HB3 ALA 79 3HB ALA 79 7.961 -3.089 16.039 627 H HIS 80 H HIS 80 9.784 -4.466 14.262 628 HA HIS 80 HA HIS 80 10.625 -6.574 15.966 629 HB2 HIS 80 2HB HIS 80 9.037 -6.886 14.082 630 HB3 HIS 80 1HB HIS 80 10.300 -6.469 12.932 631 HD1 HIS 80 HD1 HIS 80 9.403 -9.226 15.407 632 HD2 HIS 80 HD2 HIS 80 11.767 -8.584 12.060 633 HE1 HIS 80 HE1 HIS 80 10.286 -11.489 14.756 634 HE2 HIS 80 HE2 HIS 80 11.651 -11.065 12.681 635 HA PRO 81 HA PRO 81 14.957 -5.375 15.769 636 HB2 PRO 81 2HB PRO 81 16.055 -7.689 16.942 637 HB3 PRO 81 1HB PRO 81 15.310 -6.355 17.846 638 HG2 PRO 81 2HG PRO 81 14.095 -8.974 17.013 639 HG3 PRO 81 1HG PRO 81 13.955 -8.114 18.566 640 HD2 PRO 81 2HD PRO 81 11.968 -8.025 16.757 641 HD3 PRO 81 1HD PRO 81 12.370 -6.589 17.726 642 H GLU 82 H GLU 82 14.400 -8.807 14.871 643 HA GLU 82 HA GLU 82 16.594 -8.648 12.879 644 HB2 GLU 82 2HB GLU 82 16.806 -10.350 14.716 645 HB3 GLU 82 1HB GLU 82 15.321 -11.116 14.154 646 HG2 GLU 82 2HG GLU 82 16.417 -11.600 11.966 647 HG3 GLU 82 1HG GLU 82 17.901 -10.854 12.560 648 H GLN 83 H GLN 83 15.410 -7.704 11.229 649 HA GLN 83 HA GLN 83 12.835 -8.680 10.339 650 HB2 GLN 83 2HB GLN 83 14.746 -6.691 9.031 651 HB3 GLN 83 1HB GLN 83 13.082 -6.983 8.527 652 HG2 GLN 83 2HG GLN 83 12.228 -6.111 10.625 653 HG3 GLN 83 1HG GLN 83 13.859 -5.964 11.276 654 HE21 GLN 83 1HE2 GLN 83 13.479 -3.758 11.692 655 HE22 GLN 83 2HE2 GLN 83 13.526 -2.575 10.433 656 H GLY 84 H GLY 84 16.017 -9.665 9.810 657 HA2 GLY 84 2HA GLY 84 15.653 -12.001 8.589 658 HA3 GLY 84 1HA GLY 84 15.621 -10.907 7.203 659 H GLY 85 H GLY 85 17.547 -12.260 6.646 660 HA2 GLY 85 2HA GLY 85 20.069 -11.571 7.970 661 HA3 GLY 85 1HA GLY 85 19.843 -12.605 6.564 662 H ALA 86 H ALA 86 19.254 -9.195 7.438 663 HA ALA 86 HA ALA 86 19.575 -8.189 4.765 664 HB1 ALA 86 1HB ALA 86 18.076 -7.052 6.361 665 HB2 ALA 86 2HB ALA 86 19.346 -5.948 5.827 666 HB3 ALA 86 3HB ALA 86 19.440 -6.699 7.422 667 H ALA 87 H ALA 87 21.584 -8.615 3.965 668 HA ALA 87 HA ALA 87 23.981 -7.542 5.322 669 HB1 ALA 87 1HB ALA 87 25.191 -9.669 4.962 670 HB2 ALA 87 2HB ALA 87 23.718 -10.415 4.337 671 HB3 ALA 87 3HB ALA 87 23.801 -9.903 6.024 672 H LEU 88 H LEU 88 25.781 -7.255 3.956 673 HA LEU 88 HA LEU 88 25.217 -6.830 1.118 674 HB2 LEU 88 2HB LEU 88 27.622 -6.124 2.861 675 HB3 LEU 88 1HB LEU 88 27.545 -5.795 1.141 676 HG LEU 88 HG LEU 88 27.081 -3.735 2.287 677 HD11 LEU 88 1HD1 LEU 88 25.763 -4.111 0.282 678 HD12 LEU 88 2HD1 LEU 88 24.908 -3.098 1.440 679 HD13 LEU 88 3HD1 LEU 88 24.451 -4.794 1.250 680 HD21 LEU 88 1HD2 LEU 88 26.442 -4.607 4.488 681 HD22 LEU 88 2HD2 LEU 88 24.878 -5.116 3.849 682 HD23 LEU 88 3HD2 LEU 88 25.290 -3.399 3.922 683 H GLU 89 H GLU 89 27.358 -7.358 -0.245 684 HA GLU 89 HA GLU 89 27.755 -10.273 -0.041 685 HB2 GLU 89 2HB GLU 89 28.613 -9.983 -2.476 686 HB3 GLU 89 1HB GLU 89 26.893 -9.856 -2.187 687 HG2 GLU 89 2HG GLU 89 28.656 -7.398 -2.430 688 HG3 GLU 89 1HG GLU 89 27.962 -8.184 -3.846 689 H282 PNS 101 3H28 PNS 136 1.392 -9.050 -1.768 690 H281 PNS 101 2H28 PNS 136 0.481 -8.833 -3.261 691 H303 PNS 101 3H51 PNS 136 3.944 -8.801 -4.373 692 H302 PNS 101 2H51 PNS 136 2.405 -7.947 -4.375 693 H301 PNS 101 1H51 PNS 136 3.312 -8.114 -2.866 694 H313 PNS 101 3H52 PNS 136 1.299 -9.941 -5.406 695 H312 PNS 101 2H52 PNS 136 1.385 -11.506 -4.614 696 H311 PNS 101 1H52 PNS 136 2.825 -10.840 -5.395 697 H32 PNS 101 H32 PNS 136 4.207 -10.924 -3.398 698 H33 PNS 101 H33 PNS 136 3.032 -10.179 -0.960 699 H36 PNS 101 H36 PNS 136 4.877 -12.701 -2.301 700 H372 PNS 101 3H37 PNS 136 4.143 -14.591 -0.754 701 H371 PNS 101 2H37 PNS 136 2.896 -14.879 -1.971 702 H382 PNS 101 3H38 PNS 136 5.898 -15.033 -2.446 703 H381 PNS 101 2H38 PNS 136 4.786 -16.398 -2.311 704 H41 PNS 101 H41 PNS 136 5.403 -13.449 -4.237 705 H422 PNS 101 3H42 PNS 136 3.866 -14.306 -6.548 706 H421 PNS 101 2H42 PNS 136 5.618 -14.331 -6.752 707 H431 PNS 101 2H43 PNS 136 4.670 -12.209 -7.582 708 H432 PNS 101 3H43 PNS 136 3.971 -11.891 -5.983 709 H44 PNS 101 H44 PNS 136 6.282 -10.314 -6.315 Start of MODEL 15 1 H1 MET 1 1H MET 1 1.913 16.563 1.631 2 H2 MET 1 2H MET 1 2.455 15.785 0.232 3 H3 MET 1 3H MET 1 3.238 15.520 1.699 4 HA MET 1 HA MET 1 1.375 14.425 2.592 5 HB2 MET 1 2HB MET 1 -0.340 15.782 1.372 6 HB3 MET 1 1HB MET 1 0.031 14.903 -0.104 7 HG2 MET 1 2HG MET 1 -0.763 12.814 0.930 8 HG3 MET 1 1HG MET 1 -1.125 13.687 2.427 9 HE1 MET 1 1HE MET 1 -3.293 11.884 0.850 10 HE2 MET 1 2HE MET 1 -4.712 12.934 0.895 11 HE3 MET 1 3HE MET 1 -3.694 12.763 2.325 12 H LEU 2 H LEU 2 1.876 12.332 2.643 13 HA LEU 2 HA LEU 2 3.627 11.185 0.612 14 HB2 LEU 2 2HB LEU 2 4.022 11.115 3.128 15 HB3 LEU 2 1HB LEU 2 2.641 10.047 3.260 16 HG LEU 2 HG LEU 2 3.901 8.395 1.774 17 HD11 LEU 2 1HD1 LEU 2 6.339 8.657 1.587 18 HD12 LEU 2 2HD1 LEU 2 6.232 10.266 2.303 19 HD13 LEU 2 3HD1 LEU 2 5.477 9.938 0.739 20 HD21 LEU 2 1HD2 LEU 2 5.312 7.539 3.594 21 HD22 LEU 2 2HD2 LEU 2 3.738 8.057 4.194 22 HD23 LEU 2 3HD2 LEU 2 5.158 9.073 4.455 23 H GLU 3 H GLU 3 0.428 10.786 1.924 24 HA GLU 3 HA GLU 3 -0.055 8.108 1.064 25 HB2 GLU 3 2HB GLU 3 -2.147 10.130 1.969 26 HB3 GLU 3 1HB GLU 3 -2.270 8.379 1.989 27 HG2 GLU 3 2HG GLU 3 -1.891 8.823 4.230 28 HG3 GLU 3 1HG GLU 3 -0.252 8.507 3.666 29 H SER 4 H SER 4 -0.966 11.301 -0.197 30 HA SER 4 HA SER 4 -2.822 10.520 -2.175 31 HB2 SER 4 2HB SER 4 -2.231 12.746 -3.238 32 HB3 SER 4 1HB SER 4 -2.604 12.869 -1.516 33 HG SER 4 HG SER 4 -0.420 13.679 -2.722 34 H LYS 5 H LYS 5 0.671 10.461 -2.067 35 HA LYS 5 HA LYS 5 1.105 10.331 -4.901 36 HB2 LYS 5 2HB LYS 5 3.059 9.798 -2.630 37 HB3 LYS 5 1HB LYS 5 3.472 10.072 -4.322 38 HG2 LYS 5 2HG LYS 5 2.378 12.363 -4.091 39 HG3 LYS 5 1HG LYS 5 2.313 12.065 -2.356 40 HD2 LYS 5 2HD LYS 5 4.260 13.382 -2.718 41 HD3 LYS 5 1HD LYS 5 4.852 11.745 -2.448 42 HE2 LYS 5 2HE LYS 5 4.457 12.937 -5.220 43 HE3 LYS 5 1HE LYS 5 5.976 13.030 -4.339 44 HZ1 LYS 5 1HZ LYS 5 5.991 10.580 -4.292 45 HZ2 LYS 5 2HZ LYS 5 6.064 11.220 -5.853 46 HZ3 LYS 5 3HZ LYS 5 4.616 10.570 -5.277 47 H LEU 6 H LEU 6 1.077 7.940 -2.202 48 HA LEU 6 HA LEU 6 1.992 5.771 -3.840 49 HB2 LEU 6 2HB LEU 6 1.416 4.266 -1.984 50 HB3 LEU 6 1HB LEU 6 2.357 5.643 -1.459 51 HG LEU 6 HG LEU 6 0.022 6.645 -0.747 52 HD11 LEU 6 1HD1 LEU 6 -1.398 4.918 -1.753 53 HD12 LEU 6 2HD1 LEU 6 -1.632 5.010 -0.016 54 HD13 LEU 6 3HD1 LEU 6 -0.681 3.692 -0.703 55 HD21 LEU 6 1HD2 LEU 6 1.837 6.116 0.803 56 HD22 LEU 6 2HD2 LEU 6 1.327 4.426 0.855 57 HD23 LEU 6 3HD2 LEU 6 0.272 5.693 1.491 58 H ILE 7 H ILE 7 -1.223 7.011 -3.004 59 HA ILE 7 HA ILE 7 -2.786 5.057 -4.341 60 HB ILE 7 HB ILE 7 -3.320 8.033 -3.958 61 HG12 ILE 7 2HG1 ILE 7 -3.178 6.705 -1.846 62 HG13 ILE 7 1HG1 ILE 7 -4.799 7.338 -2.114 63 HG21 ILE 7 1HG2 ILE 7 -5.284 5.899 -4.927 64 HG22 ILE 7 2HG2 ILE 7 -4.638 7.226 -5.891 65 HG23 ILE 7 3HG2 ILE 7 -5.705 7.570 -4.528 66 HD11 ILE 7 1HD1 ILE 7 -4.772 5.040 -1.273 67 HD12 ILE 7 2HD1 ILE 7 -3.951 4.514 -2.742 68 HD13 ILE 7 3HD1 ILE 7 -5.587 5.189 -2.828 69 H ASN 8 H ASN 8 -1.709 8.249 -5.449 70 HA ASN 8 HA ASN 8 -2.347 8.271 -8.114 71 HB2 ASN 8 2HB ASN 8 -1.418 10.239 -7.110 72 HB3 ASN 8 1HB ASN 8 0.053 9.410 -6.637 73 HD21 ASN 8 1HD2 ASN 8 -1.283 9.136 -9.909 74 HD22 ASN 8 2HD2 ASN 8 -0.013 10.022 -10.663 75 H HIS 9 H HIS 9 0.381 6.683 -6.637 76 HA HIS 9 HA HIS 9 2.050 6.176 -8.766 77 HB2 HIS 9 2HB HIS 9 2.567 5.869 -6.375 78 HB3 HIS 9 1HB HIS 9 1.517 4.455 -6.319 79 HD1 HIS 9 HD1 HIS 9 4.918 5.600 -7.387 80 HD2 HIS 9 HD2 HIS 9 2.631 2.124 -7.504 81 HE1 HIS 9 HE1 HIS 9 6.530 3.746 -7.956 82 HE2 HIS 9 HE2 HIS 9 5.115 1.673 -8.062 83 H ILE 10 H ILE 10 -0.228 3.735 -7.402 84 HA ILE 10 HA ILE 10 -0.135 2.218 -9.884 85 HB ILE 10 HB ILE 10 -1.833 0.710 -8.624 86 HG12 ILE 10 2HG1 ILE 10 -1.615 0.768 -6.119 87 HG13 ILE 10 1HG1 ILE 10 -0.781 2.301 -6.238 88 HG21 ILE 10 1HG2 ILE 10 0.456 0.053 -9.080 89 HG22 ILE 10 2HG2 ILE 10 -0.004 -0.493 -7.469 90 HG23 ILE 10 3HG2 ILE 10 1.034 0.925 -7.659 91 HD11 ILE 10 1HD1 ILE 10 -3.631 1.737 -6.970 92 HD12 ILE 10 2HD1 ILE 10 -2.815 3.293 -7.126 93 HD13 ILE 10 3HD1 ILE 10 -3.049 2.576 -5.531 94 H ALA 11 H ALA 11 -2.276 4.587 -8.461 95 HA ALA 11 HA ALA 11 -4.706 4.087 -9.733 96 HB1 ALA 11 1HB ALA 11 -4.396 5.855 -8.043 97 HB2 ALA 11 2HB ALA 11 -5.181 6.482 -9.493 98 HB3 ALA 11 3HB ALA 11 -3.469 6.807 -9.205 99 H THR 12 H THR 12 -1.697 5.149 -11.091 100 HA THR 12 HA THR 12 -2.580 6.343 -13.503 101 HB THR 12 HB THR 12 0.050 4.867 -13.047 102 HG1 THR 12 HG1 THR 12 0.087 6.337 -11.450 103 HG21 THR 12 1HG2 THR 12 -0.347 5.547 -15.404 104 HG22 THR 12 2HG2 THR 12 0.970 6.466 -14.675 105 HG23 THR 12 3HG2 THR 12 -0.617 7.209 -14.876 106 H GLN 13 H GLN 13 -1.715 3.019 -12.607 107 HA GLN 13 HA GLN 13 -2.235 1.983 -15.328 108 HB2 GLN 13 2HB GLN 13 -1.175 -0.108 -14.528 109 HB3 GLN 13 1HB GLN 13 -0.129 1.281 -14.252 110 HG2 GLN 13 2HG GLN 13 -0.724 1.320 -11.895 111 HG3 GLN 13 1HG GLN 13 -1.870 0.002 -12.123 112 HE21 GLN 13 1HE2 GLN 13 -0.829 -1.289 -10.595 113 HE22 GLN 13 2HE2 GLN 13 0.705 -2.025 -10.887 114 H PHE 14 H PHE 14 -3.732 2.190 -12.249 115 HA PHE 14 HA PHE 14 -5.475 -0.138 -12.653 116 HB2 PHE 14 2HB PHE 14 -4.401 1.306 -10.271 117 HB3 PHE 14 1HB PHE 14 -6.103 0.894 -10.123 118 HD1 PHE 14 HD1 PHE 14 -5.856 -0.694 -8.333 119 HD2 PHE 14 HD2 PHE 14 -3.595 -1.199 -11.934 120 HE1 PHE 14 HE1 PHE 14 -5.317 -2.991 -7.679 121 HE2 PHE 14 HE2 PHE 14 -3.053 -3.492 -11.259 122 HZ PHE 14 HZ PHE 14 -3.919 -4.401 -9.141 123 H LEU 15 H LEU 15 -5.589 3.389 -12.440 124 HA LEU 15 HA LEU 15 -8.566 3.341 -12.708 125 HB2 LEU 15 2HB LEU 15 -7.011 5.424 -11.146 126 HB3 LEU 15 1HB LEU 15 -8.751 5.210 -11.209 127 HG LEU 15 HG LEU 15 -6.794 3.326 -9.826 128 HD11 LEU 15 1HD1 LEU 15 -8.727 5.328 -8.599 129 HD12 LEU 15 2HD1 LEU 15 -6.983 5.554 -8.767 130 HD13 LEU 15 3HD1 LEU 15 -7.601 4.260 -7.760 131 HD21 LEU 15 1HD2 LEU 15 -8.801 2.272 -8.841 132 HD22 LEU 15 2HD2 LEU 15 -8.788 2.110 -10.594 133 HD23 LEU 15 3HD2 LEU 15 -9.848 3.299 -9.829 134 H ASP 16 H ASP 16 -6.043 3.912 -14.536 135 HA ASP 16 HA ASP 16 -5.786 4.993 -16.519 136 HB2 ASP 16 2HB ASP 16 -8.452 4.942 -16.426 137 HB3 ASP 16 1HB ASP 16 -8.303 6.650 -16.096 138 H GLY 17 H GLY 17 -5.025 6.159 -13.793 139 HA2 GLY 17 2HA GLY 17 -3.587 7.916 -13.281 140 HA3 GLY 17 1HA GLY 17 -4.051 8.755 -14.750 141 H GLU 18 H GLU 18 -6.786 7.708 -13.044 142 HA GLU 18 HA GLU 18 -7.189 10.397 -11.851 143 HB2 GLU 18 2HB GLU 18 -9.381 10.400 -12.593 144 HB3 GLU 18 1HB GLU 18 -8.687 9.385 -13.856 145 HG2 GLU 18 2HG GLU 18 -9.473 7.373 -12.605 146 HG3 GLU 18 1HG GLU 18 -10.250 8.436 -11.432 147 H LYS 19 H LYS 19 -8.055 10.477 -9.699 148 HA LYS 19 HA LYS 19 -7.925 7.987 -8.129 149 HB2 LYS 19 2HB LYS 19 -8.474 10.813 -7.178 150 HB3 LYS 19 1HB LYS 19 -8.197 9.401 -6.159 151 HG2 LYS 19 2HG LYS 19 -5.885 9.260 -7.398 152 HG3 LYS 19 1HG LYS 19 -6.206 10.943 -7.826 153 HD2 LYS 19 2HD LYS 19 -6.092 9.797 -5.018 154 HD3 LYS 19 1HD LYS 19 -4.857 10.802 -5.775 155 HE2 LYS 19 2HE LYS 19 -6.475 12.679 -5.898 156 HE3 LYS 19 1HE LYS 19 -7.699 11.663 -5.136 157 HZ1 LYS 19 1HZ LYS 19 -6.261 11.511 -3.198 158 HZ2 LYS 19 2HZ LYS 19 -6.723 13.093 -3.542 159 HZ3 LYS 19 3HZ LYS 19 -5.159 12.576 -3.925 160 H ASP 20 H ASP 20 -9.740 6.805 -7.962 161 HA ASP 20 HA ASP 20 -12.342 8.001 -7.539 162 HB2 ASP 20 2HB ASP 20 -11.991 8.187 -10.013 163 HB3 ASP 20 1HB ASP 20 -11.818 6.435 -10.099 164 H GLY 21 H GLY 21 -12.642 6.811 -5.741 165 HA2 GLY 21 2HA GLY 21 -13.689 4.981 -4.710 166 HA3 GLY 21 1HA GLY 21 -13.162 3.932 -6.017 167 H LEU 22 H LEU 22 -10.436 5.033 -5.888 168 HA LEU 22 HA LEU 22 -9.396 3.487 -3.614 169 HB2 LEU 22 2HB LEU 22 -8.859 2.937 -6.098 170 HB3 LEU 22 1HB LEU 22 -7.913 4.402 -6.093 171 HG LEU 22 HG LEU 22 -6.414 3.453 -4.365 172 HD11 LEU 22 1HD1 LEU 22 -8.048 1.980 -3.234 173 HD12 LEU 22 2HD1 LEU 22 -6.586 1.112 -3.686 174 HD13 LEU 22 3HD1 LEU 22 -8.058 0.912 -4.639 175 HD21 LEU 22 1HD2 LEU 22 -5.355 1.745 -5.801 176 HD22 LEU 22 2HD2 LEU 22 -5.835 3.175 -6.713 177 HD23 LEU 22 3HD2 LEU 22 -6.803 1.701 -6.812 178 H ASP 23 H ASP 23 -8.974 4.833 -1.958 179 HA ASP 23 HA ASP 23 -7.214 7.131 -2.323 180 HB2 ASP 23 2HB ASP 23 -9.279 8.311 -2.464 181 HB3 ASP 23 1HB ASP 23 -10.042 7.310 -1.241 182 H SER 24 H SER 24 -6.395 7.939 -0.279 183 HA SER 24 HA SER 24 -5.028 5.934 1.036 184 HB2 SER 24 2HB SER 24 -5.420 8.795 1.990 185 HB3 SER 24 1HB SER 24 -4.025 7.748 2.273 186 HG SER 24 HG SER 24 -4.112 9.433 0.433 187 H GLN 25 H GLN 25 -7.703 7.967 2.225 188 HA GLN 25 HA GLN 25 -7.720 6.622 4.825 189 HB2 GLN 25 2HB GLN 25 -9.388 8.963 3.848 190 HB3 GLN 25 1HB GLN 25 -9.313 8.351 5.497 191 HG2 GLN 25 2HG GLN 25 -7.111 9.741 3.953 192 HG3 GLN 25 1HG GLN 25 -7.929 10.289 5.410 193 HE21 GLN 25 1HE2 GLN 25 -7.419 9.274 7.422 194 HE22 GLN 25 2HE2 GLN 25 -5.941 8.405 7.635 195 H THR 26 H THR 26 -9.267 6.442 1.814 196 HA THR 26 HA THR 26 -11.766 5.314 2.543 197 HB THR 26 HB THR 26 -10.144 5.116 -0.019 198 HG1 THR 26 HG1 THR 26 -10.791 7.216 0.475 199 HG21 THR 26 1HG2 THR 26 -13.052 4.367 0.486 200 HG22 THR 26 2HG2 THR 26 -11.756 3.271 0.004 201 HG23 THR 26 3HG2 THR 26 -12.314 4.515 -1.117 202 HA PRO 27 HA PRO 27 -10.234 1.219 3.681 203 HB2 PRO 27 2HB PRO 27 -12.596 -0.113 3.754 204 HB3 PRO 27 1HB PRO 27 -12.153 1.075 5.001 205 HG2 PRO 27 2HG PRO 27 -13.944 1.439 2.612 206 HG3 PRO 27 1HG PRO 27 -14.210 1.968 4.285 207 HD2 PRO 27 2HD PRO 27 -13.302 3.659 2.377 208 HD3 PRO 27 1HD PRO 27 -12.806 3.809 4.074 209 H LEU 28 H LEU 28 -9.053 0.342 2.027 210 HA LEU 28 HA LEU 28 -9.958 0.253 -0.662 211 HB2 LEU 28 2HB LEU 28 -7.547 -1.220 0.449 212 HB3 LEU 28 1HB LEU 28 -7.802 -0.700 -1.208 213 HG LEU 28 HG LEU 28 -7.205 1.068 1.196 214 HD11 LEU 28 1HD1 LEU 28 -5.170 1.676 -0.022 215 HD12 LEU 28 2HD1 LEU 28 -5.595 0.554 -1.318 216 HD13 LEU 28 3HD1 LEU 28 -5.243 -0.056 0.301 217 HD21 LEU 28 1HD2 LEU 28 -7.921 1.943 -1.616 218 HD22 LEU 28 2HD2 LEU 28 -7.243 2.995 -0.377 219 HD23 LEU 28 3HD2 LEU 28 -8.826 2.265 -0.138 220 H PHE 29 H PHE 29 -9.488 -2.309 1.796 221 HA PHE 29 HA PHE 29 -10.539 -4.332 -0.050 222 HB2 PHE 29 2HB PHE 29 -8.934 -4.442 2.466 223 HB3 PHE 29 1HB PHE 29 -10.021 -5.799 2.188 224 HD1 PHE 29 HD1 PHE 29 -7.288 -3.813 0.558 225 HD2 PHE 29 HD2 PHE 29 -9.437 -7.519 0.665 226 HE1 PHE 29 HE1 PHE 29 -5.728 -4.776 -1.061 227 HE2 PHE 29 HE2 PHE 29 -7.869 -8.463 -0.969 228 HZ PHE 29 HZ PHE 29 -6.025 -7.094 -1.838 229 H GLU 30 H GLU 30 -11.841 -2.421 2.527 230 HA GLU 30 HA GLU 30 -14.096 -4.095 3.101 231 HB2 GLU 30 2HB GLU 30 -13.530 -2.183 4.549 232 HB3 GLU 30 1HB GLU 30 -13.785 -1.072 3.212 233 HG2 GLU 30 2HG GLU 30 -15.650 -0.969 4.771 234 HG3 GLU 30 1HG GLU 30 -16.184 -1.590 3.211 235 H LEU 31 H LEU 31 -13.389 -1.623 0.681 236 HA LEU 31 HA LEU 31 -15.926 -2.023 -0.731 237 HB2 LEU 31 2HB LEU 31 -13.577 -0.222 -1.418 238 HB3 LEU 31 1HB LEU 31 -15.181 -0.172 -2.139 239 HG LEU 31 HG LEU 31 -14.441 0.577 0.711 240 HD11 LEU 31 1HD1 LEU 31 -13.833 2.261 -0.942 241 HD12 LEU 31 2HD1 LEU 31 -15.139 2.831 0.094 242 HD13 LEU 31 3HD1 LEU 31 -15.492 2.293 -1.551 243 HD21 LEU 31 1HD2 LEU 31 -16.628 -0.532 0.752 244 HD22 LEU 31 2HD2 LEU 31 -17.221 0.525 -0.534 245 HD23 LEU 31 3HD2 LEU 31 -16.812 1.196 1.046 246 H ASN 32 H ASN 32 -12.688 -3.165 -0.787 247 HA ASN 32 HA ASN 32 -11.474 -4.564 -2.091 248 HB2 ASN 32 2HB ASN 32 -14.272 -5.374 -2.940 249 HB3 ASN 32 1HB ASN 32 -12.868 -6.152 -3.662 250 HD21 ASN 32 1HD2 ASN 32 -14.990 -7.238 -1.934 251 HD22 ASN 32 2HD2 ASN 32 -14.171 -7.979 -0.605 252 H ILE 33 H ILE 33 -11.374 -2.017 -2.952 253 HA ILE 33 HA ILE 33 -11.908 -1.706 -5.759 254 HB ILE 33 HB ILE 33 -10.117 0.024 -3.993 255 HG12 ILE 33 2HG1 ILE 33 -12.401 -0.153 -3.013 256 HG13 ILE 33 1HG1 ILE 33 -12.099 1.470 -3.621 257 HG21 ILE 33 1HG2 ILE 33 -9.764 0.447 -6.389 258 HG22 ILE 33 2HG2 ILE 33 -10.601 1.814 -5.653 259 HG23 ILE 33 3HG2 ILE 33 -11.502 0.656 -6.633 260 HD11 ILE 33 1HD1 ILE 33 -13.739 -0.665 -4.983 261 HD12 ILE 33 2HD1 ILE 33 -13.433 0.954 -5.621 262 HD13 ILE 33 3HD1 ILE 33 -14.348 0.751 -4.128 263 H VAL 34 H VAL 34 -8.916 -2.221 -3.845 264 HA VAL 34 HA VAL 34 -7.305 -2.328 -6.316 265 HB VAL 34 HB VAL 34 -6.507 -0.857 -4.499 266 HG11 VAL 34 1HG1 VAL 34 -5.540 -1.732 -2.409 267 HG12 VAL 34 2HG1 VAL 34 -6.039 -3.366 -2.854 268 HG13 VAL 34 3HG1 VAL 34 -7.259 -2.131 -2.526 269 HG21 VAL 34 1HG2 VAL 34 -4.574 -3.131 -5.053 270 HG22 VAL 34 2HG2 VAL 34 -4.124 -1.522 -4.482 271 HG23 VAL 34 3HG2 VAL 34 -4.847 -1.720 -6.077 272 H ASP 35 H ASP 35 -5.995 -4.054 -6.882 273 HA ASP 35 HA ASP 35 -6.736 -6.707 -5.861 274 HB2 ASP 35 2HB ASP 35 -5.088 -5.910 -8.305 275 HB3 ASP 35 1HB ASP 35 -5.509 -7.564 -7.868 276 H SER 36 H SER 36 -4.886 -8.328 -5.823 277 HA SER 36 HA SER 36 -2.906 -7.616 -3.940 278 HB2 SER 36 2HB SER 36 -3.946 -9.951 -4.429 279 HB3 SER 36 1HB SER 36 -2.744 -10.087 -5.712 280 H ALA 37 H ALA 37 -2.889 -7.826 -7.461 281 HA ALA 37 HA ALA 37 -0.195 -8.019 -8.070 282 HB1 ALA 37 1HB ALA 37 -0.757 -7.062 -10.261 283 HB2 ALA 37 2HB ALA 37 -2.299 -6.482 -9.622 284 HB3 ALA 37 3HB ALA 37 -1.988 -8.215 -9.739 285 H ALA 38 H ALA 38 -2.014 -5.138 -7.139 286 HA ALA 38 HA ALA 38 -0.087 -3.193 -7.995 287 HB1 ALA 38 1HB ALA 38 -2.422 -2.921 -6.080 288 HB2 ALA 38 2HB ALA 38 -2.454 -2.618 -7.814 289 HB3 ALA 38 3HB ALA 38 -1.501 -1.577 -6.759 290 H ILE 39 H ILE 39 -0.441 -5.135 -5.160 291 HA ILE 39 HA ILE 39 0.575 -3.453 -3.155 292 HB ILE 39 HB ILE 39 0.711 -6.495 -3.278 293 HG12 ILE 39 2HG1 ILE 39 -1.586 -5.749 -3.561 294 HG13 ILE 39 1HG1 ILE 39 -1.412 -6.427 -1.951 295 HG21 ILE 39 1HG2 ILE 39 0.827 -6.442 -0.796 296 HG22 ILE 39 2HG2 ILE 39 0.926 -4.680 -0.839 297 HG23 ILE 39 3HG2 ILE 39 2.226 -5.654 -1.535 298 HD11 ILE 39 1HD1 ILE 39 -1.566 -3.503 -2.672 299 HD12 ILE 39 2HD1 ILE 39 -1.309 -4.131 -1.042 300 HD13 ILE 39 3HD1 ILE 39 -2.810 -4.482 -1.896 301 H PHE 40 H PHE 40 2.272 -5.604 -5.421 302 HA PHE 40 HA PHE 40 4.869 -5.445 -4.294 303 HB2 PHE 40 2HB PHE 40 4.271 -7.143 -5.982 304 HB3 PHE 40 1HB PHE 40 4.004 -5.892 -7.189 305 HD1 PHE 40 HD1 PHE 40 6.730 -7.115 -4.881 306 HD2 PHE 40 HD2 PHE 40 5.751 -5.479 -8.724 307 HE1 PHE 40 HE1 PHE 40 9.086 -7.295 -5.570 308 HE2 PHE 40 HE2 PHE 40 8.110 -5.669 -9.395 309 HZ PHE 40 HZ PHE 40 9.775 -6.577 -7.824 310 H ASP 41 H ASP 41 3.092 -3.376 -6.488 311 HA ASP 41 HA ASP 41 5.355 -1.677 -7.148 312 HB2 ASP 41 2HB ASP 41 3.470 -2.360 -8.740 313 HB3 ASP 41 1HB ASP 41 2.412 -1.296 -7.831 314 H LEU 42 H LEU 42 2.718 -1.771 -4.874 315 HA LEU 42 HA LEU 42 2.760 0.966 -3.982 316 HB2 LEU 42 2HB LEU 42 1.544 -1.608 -2.937 317 HB3 LEU 42 1HB LEU 42 1.526 -0.174 -1.927 318 HG LEU 42 HG LEU 42 0.263 -0.274 -4.698 319 HD11 LEU 42 1HD1 LEU 42 -1.127 -0.564 -2.016 320 HD12 LEU 42 2HD1 LEU 42 -0.891 -1.852 -3.199 321 HD13 LEU 42 3HD1 LEU 42 -1.906 -0.469 -3.600 322 HD21 LEU 42 1HD2 LEU 42 0.059 1.768 -2.452 323 HD22 LEU 42 2HD2 LEU 42 -0.879 1.795 -3.946 324 HD23 LEU 42 3HD2 LEU 42 0.871 1.988 -4.006 325 H VAL 43 H VAL 43 4.209 -2.073 -2.899 326 HA VAL 43 HA VAL 43 4.920 -1.145 -0.295 327 HB VAL 43 HB VAL 43 4.433 -3.536 -0.893 328 HG11 VAL 43 1HG1 VAL 43 5.686 -3.696 -3.003 329 HG12 VAL 43 2HG1 VAL 43 6.163 -4.966 -1.877 330 HG13 VAL 43 3HG1 VAL 43 7.212 -3.568 -2.118 331 HG21 VAL 43 1HG2 VAL 43 6.071 -4.516 0.655 332 HG22 VAL 43 2HG2 VAL 43 5.504 -2.955 1.245 333 HG23 VAL 43 3HG2 VAL 43 7.094 -3.089 0.493 334 H ASP 44 H ASP 44 6.517 -1.101 -3.393 335 HA ASP 44 HA ASP 44 9.206 -0.688 -2.755 336 HB2 ASP 44 2HB ASP 44 8.364 -0.820 -5.090 337 HB3 ASP 44 1HB ASP 44 7.560 0.718 -4.901 338 H PHE 45 H PHE 45 6.496 1.519 -2.844 339 HA PHE 45 HA PHE 45 7.821 3.932 -2.437 340 HB2 PHE 45 2HB PHE 45 5.494 3.586 -3.320 341 HB3 PHE 45 1HB PHE 45 4.973 3.130 -1.710 342 HD1 PHE 45 HD1 PHE 45 5.786 5.907 -3.950 343 HD2 PHE 45 HD2 PHE 45 4.785 4.866 0.084 344 HE1 PHE 45 HE1 PHE 45 5.205 8.248 -3.476 345 HE2 PHE 45 HE2 PHE 45 4.215 7.203 0.532 346 HZ PHE 45 HZ PHE 45 4.424 8.896 -1.239 347 H LEU 46 H LEU 46 6.346 1.621 -0.182 348 HA LEU 46 HA LEU 46 6.710 3.211 2.181 349 HB2 LEU 46 2HB LEU 46 5.999 0.283 1.877 350 HB3 LEU 46 1HB LEU 46 5.924 1.182 3.387 351 HG LEU 46 HG LEU 46 4.205 1.690 0.924 352 HD11 LEU 46 1HD1 LEU 46 3.598 -0.357 2.111 353 HD12 LEU 46 2HD1 LEU 46 2.357 0.878 2.284 354 HD13 LEU 46 3HD1 LEU 46 3.454 0.544 3.625 355 HD21 LEU 46 1HD2 LEU 46 4.649 3.812 2.067 356 HD22 LEU 46 2HD2 LEU 46 4.169 3.114 3.615 357 HD23 LEU 46 3HD2 LEU 46 2.977 3.323 2.330 358 H ARG 47 H ARG 47 8.454 0.382 0.819 359 HA ARG 47 HA ARG 47 10.135 -0.040 3.087 360 HB2 ARG 47 2HB ARG 47 11.414 -1.566 1.704 361 HB3 ARG 47 1HB ARG 47 9.719 -1.765 1.285 362 HG2 ARG 47 2HG ARG 47 10.145 -0.250 -0.702 363 HG3 ARG 47 1HG ARG 47 11.853 -0.338 -0.329 364 HD2 ARG 47 2HD ARG 47 10.119 -2.752 -0.947 365 HD3 ARG 47 1HD ARG 47 11.079 -1.898 -2.152 366 HE ARG 47 HE ARG 47 12.004 -3.796 -0.211 367 HH11 ARG 47 1HH1 ARG 47 13.082 -1.026 -2.113 368 HH12 ARG 47 2HH1 ARG 47 14.746 -1.508 -2.077 369 HH21 ARG 47 1HH2 ARG 47 14.181 -4.455 -0.302 370 HH22 ARG 47 2HH2 ARG 47 15.365 -3.439 -1.059 371 H GLN 48 H GLN 48 10.290 2.002 0.293 372 HA GLN 48 HA GLN 48 12.964 2.864 0.312 373 HB2 GLN 48 2HB GLN 48 11.311 3.134 -1.564 374 HB3 GLN 48 1HB GLN 48 10.452 4.330 -0.602 375 HG2 GLN 48 2HG GLN 48 12.503 5.773 -0.643 376 HG3 GLN 48 1HG GLN 48 13.263 4.595 -1.715 377 HE21 GLN 48 1HE2 GLN 48 10.740 4.052 -3.192 378 HE22 GLN 48 2HE2 GLN 48 10.481 5.444 -4.172 379 H GLU 49 H GLU 49 9.992 4.378 1.585 380 HA GLU 49 HA GLU 49 11.233 6.593 2.857 381 HB2 GLU 49 2HB GLU 49 8.476 5.354 3.225 382 HB3 GLU 49 1HB GLU 49 8.954 6.902 3.914 383 HG2 GLU 49 2HG GLU 49 8.757 6.218 0.964 384 HG3 GLU 49 1HG GLU 49 7.663 7.261 1.872 385 H SER 50 H SER 50 10.210 3.442 3.975 386 HA SER 50 HA SER 50 10.717 3.851 6.763 387 HB2 SER 50 2HB SER 50 9.160 2.120 5.915 388 HB3 SER 50 1HB SER 50 10.515 1.234 5.214 389 HG SER 50 HG SER 50 11.329 1.017 7.336 390 H LYS 51 H LYS 51 12.791 3.362 4.130 391 HA LYS 51 HA LYS 51 14.982 3.015 3.815 392 HB2 LYS 51 2HB LYS 51 15.361 3.274 6.829 393 HB3 LYS 51 1HB LYS 51 16.565 3.567 5.583 394 HG2 LYS 51 2HG LYS 51 14.071 5.239 6.000 395 HG3 LYS 51 1HG LYS 51 15.666 5.637 6.632 396 HD2 LYS 51 2HD LYS 51 16.559 5.919 4.400 397 HD3 LYS 51 1HD LYS 51 15.063 5.318 3.669 398 HE2 LYS 51 2HE LYS 51 15.291 7.814 3.605 399 HE3 LYS 51 1HE LYS 51 13.838 7.263 4.441 400 HZ1 LYS 51 1HZ LYS 51 14.988 9.065 5.607 401 HZ2 LYS 51 2HZ LYS 51 16.360 8.096 5.779 402 HZ3 LYS 51 3HZ LYS 51 14.919 7.661 6.542 403 H VAL 52 H VAL 52 13.120 0.774 4.498 404 HA VAL 52 HA VAL 52 15.027 -1.263 5.493 405 HB VAL 52 HB VAL 52 13.097 -2.627 6.117 406 HG11 VAL 52 1HG1 VAL 52 14.005 -1.145 7.828 407 HG12 VAL 52 2HG1 VAL 52 12.268 -1.349 8.045 408 HG13 VAL 52 3HG1 VAL 52 12.896 0.137 7.330 409 HG21 VAL 52 1HG2 VAL 52 11.323 -0.359 5.171 410 HG22 VAL 52 2HG2 VAL 52 10.761 -1.756 6.088 411 HG23 VAL 52 3HG2 VAL 52 11.429 -1.977 4.469 412 H SER 53 H SER 53 15.082 -3.260 4.429 413 HA SER 53 HA SER 53 13.714 -3.500 1.811 414 HB2 SER 53 2HB SER 53 15.259 -5.530 1.581 415 HB3 SER 53 1HB SER 53 16.096 -3.980 1.671 416 HG SER 53 HG SER 53 15.805 -5.930 3.707 417 H ILE 54 H ILE 54 11.700 -4.142 2.253 418 HA ILE 54 HA ILE 54 10.991 -5.815 4.498 419 HB ILE 54 HB ILE 54 9.517 -3.977 3.866 420 HG12 ILE 54 2HG1 ILE 54 8.207 -6.681 3.346 421 HG13 ILE 54 1HG1 ILE 54 8.446 -5.940 4.921 422 HG21 ILE 54 1HG2 ILE 54 8.279 -3.896 1.764 423 HG22 ILE 54 2HG2 ILE 54 9.052 -5.381 1.215 424 HG23 ILE 54 3HG2 ILE 54 10.013 -3.916 1.440 425 HD11 ILE 54 1HD1 ILE 54 6.159 -5.771 4.209 426 HD12 ILE 54 2HD1 ILE 54 6.638 -4.948 2.729 427 HD13 ILE 54 3HD1 ILE 54 6.873 -4.160 4.294 428 H GLY 55 H GLY 55 10.267 -7.932 4.442 429 HA2 GLY 55 2HA GLY 55 11.201 -9.549 2.232 430 HA3 GLY 55 1HA GLY 55 10.517 -10.128 3.743 431 H MET 56 H MET 56 9.953 -11.030 1.027 432 HA MET 56 HA MET 56 7.595 -9.962 -0.058 433 HB2 MET 56 2HB MET 56 8.608 -12.813 -0.317 434 HB3 MET 56 1HB MET 56 7.377 -12.073 -1.335 435 HG2 MET 56 2HG MET 56 10.317 -11.404 -1.211 436 HG3 MET 56 1HG MET 56 9.404 -12.064 -2.569 437 HE1 MET 56 1HE MET 56 6.729 -10.108 -2.358 438 HE2 MET 56 2HE MET 56 7.493 -10.608 -3.869 439 HE3 MET 56 3HE MET 56 7.200 -8.899 -3.557 440 H GLN 57 H GLN 57 7.986 -12.047 2.694 441 HA GLN 57 HA GLN 57 5.376 -13.203 2.763 442 HB2 GLN 57 2HB GLN 57 7.432 -12.728 4.958 443 HB3 GLN 57 1HB GLN 57 5.948 -13.649 5.186 444 HG2 GLN 57 2HG GLN 57 6.676 -15.356 3.642 445 HG3 GLN 57 1HG GLN 57 8.060 -14.388 3.144 446 HE21 GLN 57 1HE2 GLN 57 6.738 -16.406 5.667 447 HE22 GLN 57 2HE2 GLN 57 8.218 -16.628 6.530 448 H GLU 58 H GLU 58 6.811 -10.237 4.137 449 HA GLU 58 HA GLU 58 4.447 -9.506 5.655 450 HB2 GLU 58 2HB GLU 58 6.827 -7.750 4.922 451 HB3 GLU 58 1HB GLU 58 5.666 -7.462 6.210 452 HG2 GLU 58 2HG GLU 58 7.801 -9.601 6.089 453 HG3 GLU 58 1HG GLU 58 7.697 -8.244 7.209 454 H ILE 59 H ILE 59 5.725 -8.964 2.474 455 HA ILE 59 HA ILE 59 3.837 -6.944 1.667 456 HB ILE 59 HB ILE 59 5.379 -8.853 -0.153 457 HG12 ILE 59 2HG1 ILE 59 6.283 -6.133 0.897 458 HG13 ILE 59 1HG1 ILE 59 6.971 -7.686 1.353 459 HG21 ILE 59 1HG2 ILE 59 4.212 -6.114 -0.742 460 HG22 ILE 59 2HG2 ILE 59 3.532 -7.664 -1.249 461 HG23 ILE 59 3HG2 ILE 59 5.100 -7.148 -1.876 462 HD11 ILE 59 1HD1 ILE 59 8.373 -6.528 -0.238 463 HD12 ILE 59 2HD1 ILE 59 7.047 -6.466 -1.399 464 HD13 ILE 59 3HD1 ILE 59 7.748 -8.022 -0.936 465 H HIS 60 H HIS 60 1.856 -8.002 2.489 466 HA HIS 60 HA HIS 60 0.690 -9.411 0.214 467 HB2 HIS 60 2HB HIS 60 -0.585 -11.006 1.579 468 HB3 HIS 60 1HB HIS 60 1.142 -11.290 1.663 469 HD1 HIS 60 HD1 HIS 60 1.966 -11.785 3.922 470 HD2 HIS 60 HD2 HIS 60 -1.526 -9.550 4.044 471 HE1 HIS 60 HE1 HIS 60 1.321 -11.673 6.339 472 HE2 HIS 60 HE2 HIS 60 -0.863 -10.424 6.374 473 HA PRO 61 HA PRO 61 -2.225 -6.280 0.209 474 HB2 PRO 61 2HB PRO 61 -4.569 -7.568 -0.571 475 HB3 PRO 61 1HB PRO 61 -3.214 -7.232 -1.663 476 HG2 PRO 61 2HG PRO 61 -3.836 -9.747 -0.148 477 HG3 PRO 61 1HG PRO 61 -3.412 -9.546 -1.867 478 HD2 PRO 61 2HD PRO 61 -1.557 -10.319 -0.138 479 HD3 PRO 61 1HD PRO 61 -1.137 -9.113 -1.386 480 H ALA 62 H ALA 62 -3.099 -8.909 2.396 481 HA ALA 62 HA ALA 62 -5.388 -7.734 3.608 482 HB1 ALA 62 1HB ALA 62 -3.384 -9.651 4.851 483 HB2 ALA 62 2HB ALA 62 -4.806 -10.111 3.916 484 HB3 ALA 62 3HB ALA 62 -5.000 -9.301 5.471 485 H ASN 63 H ASN 63 -1.942 -7.296 4.106 486 HA ASN 63 HA ASN 63 -2.205 -5.661 6.496 487 HB2 ASN 63 2HB ASN 63 0.163 -6.470 4.750 488 HB3 ASN 63 1HB ASN 63 0.326 -5.374 6.122 489 HD21 ASN 63 1HD2 ASN 63 1.814 -6.978 6.946 490 HD22 ASN 63 2HD2 ASN 63 1.200 -8.352 7.788 491 H PHE 64 H PHE 64 -2.121 -5.175 3.071 492 HA PHE 64 HA PHE 64 -1.658 -2.261 3.309 493 HB2 PHE 64 2HB PHE 64 -1.596 -4.107 0.869 494 HB3 PHE 64 1HB PHE 64 -1.318 -2.370 0.818 495 HD1 PHE 64 HD1 PHE 64 -0.005 -5.503 2.375 496 HD2 PHE 64 HD2 PHE 64 0.905 -1.553 1.022 497 HE1 PHE 64 HE1 PHE 64 2.374 -5.932 2.756 498 HE2 PHE 64 HE2 PHE 64 3.290 -1.992 1.416 499 HZ PHE 64 HZ PHE 64 4.026 -4.177 2.279 500 H ALA 65 H ALA 65 -4.150 -3.931 3.906 501 HA ALA 65 HA ALA 65 -6.169 -3.529 1.999 502 HB1 ALA 65 1HB ALA 65 -6.305 -5.179 3.812 503 HB2 ALA 65 2HB ALA 65 -7.722 -4.127 3.801 504 HB3 ALA 65 3HB ALA 65 -6.443 -3.876 4.995 505 H THR 66 H THR 66 -4.850 -1.342 4.326 506 HA THR 66 HA THR 66 -6.292 0.885 3.107 507 HB THR 66 HB THR 66 -6.571 1.979 5.420 508 HG1 THR 66 HG1 THR 66 -6.080 -0.694 6.250 509 HG21 THR 66 1HG2 THR 66 -8.568 1.094 4.254 510 HG22 THR 66 2HG2 THR 66 -8.694 0.911 6.005 511 HG23 THR 66 3HG2 THR 66 -8.295 -0.483 5.000 512 H VAL 67 H VAL 67 -5.142 2.996 3.768 513 HA VAL 67 HA VAL 67 -2.294 2.637 3.735 514 HB VAL 67 HB VAL 67 -3.995 5.142 3.920 515 HG11 VAL 67 1HG1 VAL 67 -1.928 6.460 3.489 516 HG12 VAL 67 2HG1 VAL 67 -0.962 4.998 3.690 517 HG13 VAL 67 3HG1 VAL 67 -1.868 5.651 5.055 518 HG21 VAL 67 1HG2 VAL 67 -3.207 5.468 1.584 519 HG22 VAL 67 2HG2 VAL 67 -4.093 3.954 1.774 520 HG23 VAL 67 3HG2 VAL 67 -2.329 3.940 1.673 521 H GLN 68 H GLN 68 -4.667 3.444 6.252 522 HA GLN 68 HA GLN 68 -2.820 4.083 8.293 523 HB2 GLN 68 2HB GLN 68 -4.647 3.554 9.907 524 HB3 GLN 68 1HB GLN 68 -5.185 4.612 8.608 525 HG2 GLN 68 2HG GLN 68 -6.381 2.830 7.534 526 HG3 GLN 68 1HG GLN 68 -5.660 1.623 8.598 527 HE21 GLN 68 1HE2 GLN 68 -7.714 0.868 9.237 528 HE22 GLN 68 2HE2 GLN 68 -8.741 1.771 10.297 529 H SER 69 H SER 69 -4.079 0.935 7.147 530 HA SER 69 HA SER 69 -2.852 -0.601 9.243 531 HB2 SER 69 2HB SER 69 -3.531 -2.590 7.944 532 HB3 SER 69 1HB SER 69 -4.861 -1.439 8.055 533 HG SER 69 HG SER 69 -3.142 -1.855 5.831 534 H MET 70 H MET 70 -1.889 0.358 5.937 535 HA MET 70 HA MET 70 0.298 -1.519 5.785 536 HB2 MET 70 2HB MET 70 0.810 -0.618 3.637 537 HB3 MET 70 1HB MET 70 -0.944 -0.592 3.757 538 HG2 MET 70 2HG MET 70 -0.905 1.805 4.181 539 HG3 MET 70 1HG MET 70 0.854 1.810 4.175 540 HE1 MET 70 1HE MET 70 -2.413 1.467 1.947 541 HE2 MET 70 2HE MET 70 -1.659 -0.116 1.746 542 HE3 MET 70 3HE MET 70 -1.713 1.017 0.393 543 H VAL 71 H VAL 71 -0.031 1.926 6.637 544 HA VAL 71 HA VAL 71 2.757 2.446 7.019 545 HB VAL 71 HB VAL 71 0.287 3.846 8.149 546 HG11 VAL 71 1HG1 VAL 71 3.185 4.773 8.366 547 HG12 VAL 71 2HG1 VAL 71 2.162 4.257 9.707 548 HG13 VAL 71 3HG1 VAL 71 1.774 5.730 8.819 549 HG21 VAL 71 1HG2 VAL 71 0.560 4.031 5.703 550 HG22 VAL 71 2HG2 VAL 71 2.194 4.662 5.921 551 HG23 VAL 71 3HG2 VAL 71 0.806 5.597 6.481 552 H ALA 72 H ALA 72 0.108 1.401 9.174 553 HA ALA 72 HA ALA 72 1.526 1.391 11.590 554 HB1 ALA 72 1HB ALA 72 -0.245 -0.099 12.446 555 HB2 ALA 72 2HB ALA 72 -0.813 -0.368 10.796 556 HB3 ALA 72 3HB ALA 72 -0.925 1.239 11.515 557 H LEU 73 H LEU 73 1.131 -1.107 9.104 558 HA LEU 73 HA LEU 73 2.281 -3.342 10.317 559 HB2 LEU 73 2HB LEU 73 1.238 -3.917 8.319 560 HB3 LEU 73 1HB LEU 73 1.656 -2.400 7.549 561 HG LEU 73 HG LEU 73 4.038 -3.341 7.319 562 HD11 LEU 73 1HD1 LEU 73 4.288 -5.788 7.262 563 HD12 LEU 73 2HD1 LEU 73 2.656 -5.974 7.910 564 HD13 LEU 73 3HD1 LEU 73 3.910 -5.192 8.876 565 HD21 LEU 73 1HD2 LEU 73 2.517 -3.023 5.446 566 HD22 LEU 73 2HD2 LEU 73 1.816 -4.619 5.712 567 HD23 LEU 73 3HD2 LEU 73 3.504 -4.465 5.219 568 H VAL 74 H VAL 74 3.674 -0.751 8.340 569 HA VAL 74 HA VAL 74 6.315 -1.599 8.230 570 HB VAL 74 HB VAL 74 5.200 1.236 8.198 571 HG11 VAL 74 1HG1 VAL 74 7.389 1.941 7.241 572 HG12 VAL 74 2HG1 VAL 74 8.033 0.330 7.553 573 HG13 VAL 74 3HG1 VAL 74 7.544 1.363 8.898 574 HG21 VAL 74 1HG2 VAL 74 6.146 -0.544 5.905 575 HG22 VAL 74 2HG2 VAL 74 5.522 1.099 5.743 576 HG23 VAL 74 3HG2 VAL 74 4.464 -0.193 6.307 577 H GLN 75 H GLN 75 4.771 0.537 10.655 578 HA GLN 75 HA GLN 75 7.185 1.082 12.105 579 HB2 GLN 75 2HB GLN 75 4.409 1.177 13.366 580 HB3 GLN 75 1HB GLN 75 5.803 2.184 13.718 581 HG2 GLN 75 2HG GLN 75 3.958 2.324 11.336 582 HG3 GLN 75 1HG GLN 75 4.214 3.541 12.581 583 HE21 GLN 75 1HE2 GLN 75 4.438 3.582 9.607 584 HE22 GLN 75 2HE2 GLN 75 6.003 4.225 9.275 585 H ARG 76 H ARG 76 4.866 -1.518 12.205 586 HA ARG 76 HA ARG 76 5.563 -2.614 14.763 587 HB2 ARG 76 2HB ARG 76 3.979 -3.691 12.404 588 HB3 ARG 76 1HB ARG 76 4.209 -4.611 13.890 589 HG2 ARG 76 2HG ARG 76 2.944 -3.076 15.189 590 HG3 ARG 76 1HG ARG 76 3.045 -1.815 13.958 591 HD2 ARG 76 2HD ARG 76 0.793 -2.781 14.089 592 HD3 ARG 76 1HD ARG 76 1.528 -3.067 12.513 593 HE ARG 76 HE ARG 76 2.090 -5.361 13.499 594 HH11 ARG 76 1HH1 ARG 76 -0.833 -3.613 14.365 595 HH12 ARG 76 2HH1 ARG 76 -1.733 -5.059 14.687 596 HH21 ARG 76 1HH2 ARG 76 0.862 -7.233 13.854 597 HH22 ARG 76 2HH2 ARG 76 -0.781 -7.096 14.400 598 H LEU 77 H LEU 77 6.477 -3.333 11.361 599 HA LEU 77 HA LEU 77 8.267 -5.466 12.131 600 HB2 LEU 77 2HB LEU 77 8.979 -5.523 9.761 601 HB3 LEU 77 1HB LEU 77 7.250 -5.659 9.979 602 HG LEU 77 HG LEU 77 7.110 -3.181 9.323 603 HD11 LEU 77 1HD1 LEU 77 9.963 -3.628 8.391 604 HD12 LEU 77 2HD1 LEU 77 9.382 -2.436 9.563 605 HD13 LEU 77 3HD1 LEU 77 8.921 -2.298 7.868 606 HD21 LEU 77 1HD2 LEU 77 6.361 -4.962 7.878 607 HD22 LEU 77 2HD2 LEU 77 7.996 -5.207 7.259 608 HD23 LEU 77 3HD2 LEU 77 7.136 -3.701 6.923 609 H LYS 78 H LYS 78 8.528 -2.036 11.975 610 HA LYS 78 HA LYS 78 11.357 -1.734 11.776 611 HB2 LYS 78 2HB LYS 78 9.220 0.016 13.050 612 HB3 LYS 78 1HB LYS 78 10.904 0.509 12.922 613 HG2 LYS 78 2HG LYS 78 9.061 -0.115 10.600 614 HG3 LYS 78 1HG LYS 78 9.485 1.499 11.155 615 HD2 LYS 78 2HD LYS 78 11.536 -0.521 10.196 616 HD3 LYS 78 1HD LYS 78 10.752 0.640 9.133 617 HE2 LYS 78 2HE LYS 78 12.416 1.354 11.552 618 HE3 LYS 78 1HE LYS 78 12.961 1.413 9.874 619 HZ1 LYS 78 1HZ LYS 78 11.216 3.056 9.454 620 HZ2 LYS 78 2HZ LYS 78 12.334 3.586 10.602 621 HZ3 LYS 78 3HZ LYS 78 10.813 3.043 11.094 622 H ALA 79 H ALA 79 9.127 -2.216 14.469 623 HA ALA 79 HA ALA 79 11.005 -1.983 16.586 624 HB1 ALA 79 1HB ALA 79 8.579 -1.761 16.950 625 HB2 ALA 79 2HB ALA 79 9.241 -3.040 17.968 626 HB3 ALA 79 3HB ALA 79 8.341 -3.455 16.506 627 H HIS 80 H HIS 80 10.413 -4.410 14.262 628 HA HIS 80 HA HIS 80 11.655 -6.614 15.746 629 HB2 HIS 80 2HB HIS 80 10.363 -6.507 12.977 630 HB3 HIS 80 1HB HIS 80 10.930 -7.971 13.786 631 HD1 HIS 80 HD1 HIS 80 7.915 -7.426 12.938 632 HD2 HIS 80 HD2 HIS 80 9.488 -6.971 16.759 633 HE1 HIS 80 HE1 HIS 80 5.966 -7.632 14.506 634 HE2 HIS 80 HE2 HIS 80 6.947 -7.371 16.801 635 HA PRO 81 HA PRO 81 15.667 -5.852 14.152 636 HB2 PRO 81 2HB PRO 81 16.846 -8.316 14.113 637 HB3 PRO 81 1HB PRO 81 16.319 -7.543 15.620 638 HG2 PRO 81 2HG PRO 81 14.929 -9.682 14.037 639 HG3 PRO 81 1HG PRO 81 15.148 -9.555 15.796 640 HD2 PRO 81 2HD PRO 81 12.820 -8.829 14.516 641 HD3 PRO 81 1HD PRO 81 13.358 -8.104 16.049 642 H GLU 82 H GLU 82 14.133 -8.487 12.353 643 HA GLU 82 HA GLU 82 14.653 -7.337 9.786 644 HB2 GLU 82 2HB GLU 82 16.857 -8.423 10.143 645 HB3 GLU 82 1HB GLU 82 16.074 -9.962 10.494 646 HG2 GLU 82 2HG GLU 82 15.238 -10.108 8.194 647 HG3 GLU 82 1HG GLU 82 15.879 -8.505 7.828 648 H GLN 83 H GLN 83 12.585 -7.530 9.207 649 HA GLN 83 HA GLN 83 11.049 -9.928 10.015 650 HB2 GLN 83 2HB GLN 83 10.474 -7.643 11.009 651 HB3 GLN 83 1HB GLN 83 9.960 -7.154 9.399 652 HG2 GLN 83 2HG GLN 83 8.074 -7.822 10.829 653 HG3 GLN 83 1HG GLN 83 8.212 -8.861 9.407 654 HE21 GLN 83 1HE2 GLN 83 8.718 -11.040 9.698 655 HE22 GLN 83 2HE2 GLN 83 8.755 -11.794 11.253 656 H GLY 84 H GLY 84 10.599 -11.243 8.431 657 HA2 GLY 84 2HA GLY 84 9.599 -11.852 6.372 658 HA3 GLY 84 1HA GLY 84 10.035 -10.290 5.696 659 H GLY 85 H GLY 85 11.626 -13.125 7.175 660 HA2 GLY 85 2HA GLY 85 13.990 -12.955 5.522 661 HA3 GLY 85 1HA GLY 85 13.548 -14.282 6.591 662 H ALA 86 H ALA 86 12.794 -12.797 3.472 663 HA ALA 86 HA ALA 86 11.620 -15.345 2.522 664 HB1 ALA 86 1HB ALA 86 10.597 -12.552 1.917 665 HB2 ALA 86 2HB ALA 86 9.859 -13.705 3.031 666 HB3 ALA 86 3HB ALA 86 9.928 -14.069 1.306 667 H ALA 87 H ALA 87 13.246 -16.075 1.265 668 HA ALA 87 HA ALA 87 14.157 -14.493 -1.059 669 HB1 ALA 87 1HB ALA 87 15.879 -15.734 0.221 670 HB2 ALA 87 2HB ALA 87 15.727 -16.364 -1.419 671 HB3 ALA 87 3HB ALA 87 15.009 -17.243 -0.068 672 H LEU 88 H LEU 88 11.449 -15.024 -0.959 673 HA LEU 88 HA LEU 88 10.529 -17.428 -2.115 674 HB2 LEU 88 2HB LEU 88 9.260 -14.662 -2.026 675 HB3 LEU 88 1HB LEU 88 8.419 -16.092 -2.605 676 HG LEU 88 HG LEU 88 9.418 -15.636 0.238 677 HD11 LEU 88 1HD1 LEU 88 6.581 -15.754 -0.835 678 HD12 LEU 88 2HD1 LEU 88 7.429 -14.310 -0.283 679 HD13 LEU 88 3HD1 LEU 88 7.048 -15.588 0.862 680 HD21 LEU 88 1HD2 LEU 88 8.297 -17.767 0.794 681 HD22 LEU 88 2HD2 LEU 88 9.626 -18.000 -0.334 682 HD23 LEU 88 3HD2 LEU 88 7.961 -18.038 -0.919 683 H GLU 89 H GLU 89 11.583 -18.013 -3.950 684 HA GLU 89 HA GLU 89 10.789 -16.825 -6.441 685 HB2 GLU 89 2HB GLU 89 12.802 -15.438 -5.794 686 HB3 GLU 89 1HB GLU 89 13.774 -16.906 -5.768 687 HG2 GLU 89 2HG GLU 89 14.124 -15.672 -7.855 688 HG3 GLU 89 1HG GLU 89 13.357 -17.228 -8.179 689 H282 PNS 101 3H28 PNS 136 0.212 -9.280 -3.557 690 H281 PNS 101 2H28 PNS 136 0.576 -9.247 -5.273 691 H303 PNS 101 3H51 PNS 136 2.503 -7.743 -4.829 692 H302 PNS 101 2H51 PNS 136 2.131 -7.780 -3.110 693 H301 PNS 101 1H51 PNS 136 3.755 -8.215 -3.660 694 H313 PNS 101 3H52 PNS 136 2.801 -9.818 -6.118 695 H312 PNS 101 2H52 PNS 136 2.662 -11.396 -5.345 696 H311 PNS 101 1H52 PNS 136 4.064 -10.368 -5.017 697 H32 PNS 101 H32 PNS 136 3.593 -10.164 -2.385 698 H33 PNS 101 H33 PNS 136 0.816 -10.381 -1.870 699 H36 PNS 101 H36 PNS 136 4.393 -12.032 -3.297 700 H372 PNS 101 3H37 PNS 136 3.819 -14.459 -2.189 701 H371 PNS 101 2H37 PNS 136 3.000 -14.473 -3.754 702 H382 PNS 101 3H38 PNS 136 5.961 -13.986 -3.294 703 H381 PNS 101 2H38 PNS 136 5.245 -15.477 -3.895 704 H41 PNS 101 H41 PNS 136 6.732 -12.623 -4.828 705 H422 PNS 101 3H42 PNS 136 5.517 -12.265 -7.438 706 H421 PNS 101 2H42 PNS 136 7.109 -13.030 -7.441 707 H431 PNS 101 2H43 PNS 136 8.031 -11.069 -6.229 708 H432 PNS 101 3H43 PNS 136 7.313 -10.605 -7.782 709 H44 PNS 101 H44 PNS 136 4.939 -9.689 -6.664 Start of MODEL 16 1 H1 MET 1 1H MET 1 0.432 13.558 3.955 2 H2 MET 1 2H MET 1 1.353 13.321 5.347 3 H3 MET 1 3H MET 1 1.467 12.226 4.064 4 HA MET 1 HA MET 1 2.257 15.073 3.993 5 HB2 MET 1 2HB MET 1 3.794 13.770 5.394 6 HB3 MET 1 1HB MET 1 3.957 12.547 4.142 7 HG2 MET 1 2HG MET 1 5.932 14.037 4.271 8 HG3 MET 1 1HG MET 1 5.138 14.114 2.699 9 HE1 MET 1 1HE MET 1 5.688 15.954 6.144 10 HE2 MET 1 2HE MET 1 3.926 15.898 6.063 11 HE3 MET 1 3HE MET 1 4.769 17.437 5.902 12 H LEU 2 H LEU 2 2.289 11.927 2.322 13 HA LEU 2 HA LEU 2 2.258 13.220 -0.315 14 HB2 LEU 2 2HB LEU 2 4.163 12.002 -1.153 15 HB3 LEU 2 1HB LEU 2 4.668 12.866 0.283 16 HG LEU 2 HG LEU 2 4.085 9.871 0.175 17 HD11 LEU 2 1HD1 LEU 2 6.499 9.535 0.347 18 HD12 LEU 2 2HD1 LEU 2 6.764 11.278 0.237 19 HD13 LEU 2 3HD1 LEU 2 6.062 10.400 -1.124 20 HD21 LEU 2 1HD2 LEU 2 3.682 10.771 2.424 21 HD22 LEU 2 2HD2 LEU 2 5.298 11.482 2.450 22 HD23 LEU 2 3HD2 LEU 2 5.102 9.727 2.403 23 H GLU 3 H GLU 3 0.205 11.982 1.081 24 HA GLU 3 HA GLU 3 -0.058 9.199 0.512 25 HB2 GLU 3 2HB GLU 3 -2.401 11.046 1.079 26 HB3 GLU 3 1HB GLU 3 -2.266 9.325 1.413 27 HG2 GLU 3 2HG GLU 3 -1.026 11.634 2.893 28 HG3 GLU 3 1HG GLU 3 -2.068 10.368 3.523 29 H SER 4 H SER 4 -1.147 12.157 -1.071 30 HA SER 4 HA SER 4 -2.728 11.108 -3.119 31 HB2 SER 4 2HB SER 4 -0.934 13.574 -3.224 32 HB3 SER 4 1HB SER 4 -2.335 13.254 -4.255 33 HG SER 4 HG SER 4 -3.514 13.108 -2.157 34 H LYS 5 H LYS 5 0.738 11.072 -2.715 35 HA LYS 5 HA LYS 5 1.484 10.638 -5.458 36 HB2 LYS 5 2HB LYS 5 3.042 11.667 -3.884 37 HB3 LYS 5 1HB LYS 5 3.000 10.246 -2.848 38 HG2 LYS 5 2HG LYS 5 4.084 8.915 -4.662 39 HG3 LYS 5 1HG LYS 5 4.164 10.369 -5.658 40 HD2 LYS 5 2HD LYS 5 5.583 9.901 -3.008 41 HD3 LYS 5 1HD LYS 5 6.327 9.967 -4.606 42 HE2 LYS 5 2HE LYS 5 4.968 12.274 -3.173 43 HE3 LYS 5 1HE LYS 5 6.701 12.059 -3.401 44 HZ1 LYS 5 1HZ LYS 5 6.399 12.272 -5.771 45 HZ2 LYS 5 2HZ LYS 5 5.746 13.618 -4.984 46 HZ3 LYS 5 3HZ LYS 5 4.722 12.413 -5.584 47 H LEU 6 H LEU 6 1.275 8.503 -2.548 48 HA LEU 6 HA LEU 6 2.093 6.135 -3.883 49 HB2 LEU 6 2HB LEU 6 1.369 4.916 -1.850 50 HB3 LEU 6 1HB LEU 6 2.368 6.304 -1.492 51 HG LEU 6 HG LEU 6 -0.033 7.470 -1.107 52 HD11 LEU 6 1HD1 LEU 6 -1.635 5.991 0.013 53 HD12 LEU 6 2HD1 LEU 6 -0.651 4.588 -0.408 54 HD13 LEU 6 3HD1 LEU 6 -1.407 5.552 -1.678 55 HD21 LEU 6 1HD2 LEU 6 1.796 7.390 0.532 56 HD22 LEU 6 2HD2 LEU 6 1.293 5.772 1.029 57 HD23 LEU 6 3HD2 LEU 6 0.221 7.157 1.287 58 H ILE 7 H ILE 7 -1.027 7.659 -3.430 59 HA ILE 7 HA ILE 7 -2.639 5.570 -4.548 60 HB ILE 7 HB ILE 7 -3.118 8.578 -4.402 61 HG12 ILE 7 2HG1 ILE 7 -4.328 6.441 -2.595 62 HG13 ILE 7 1HG1 ILE 7 -2.823 7.264 -2.198 63 HG21 ILE 7 1HG2 ILE 7 -5.134 6.377 -5.001 64 HG22 ILE 7 2HG2 ILE 7 -4.539 7.577 -6.151 65 HG23 ILE 7 3HG2 ILE 7 -5.516 8.086 -4.771 66 HD11 ILE 7 1HD1 ILE 7 -5.510 8.579 -2.569 67 HD12 ILE 7 2HD1 ILE 7 -3.998 9.407 -2.183 68 HD13 ILE 7 3HD1 ILE 7 -4.692 8.258 -1.040 69 H ASN 8 H ASN 8 -1.370 8.659 -5.905 70 HA ASN 8 HA ASN 8 -2.463 8.479 -8.458 71 HB2 ASN 8 2HB ASN 8 -1.503 10.557 -7.463 72 HB3 ASN 8 1HB ASN 8 0.116 9.904 -7.663 73 HD21 ASN 8 1HD2 ASN 8 1.049 9.892 -9.737 74 HD22 ASN 8 2HD2 ASN 8 0.359 10.737 -11.074 75 H HIS 9 H HIS 9 0.429 7.034 -7.175 76 HA HIS 9 HA HIS 9 1.936 6.495 -9.440 77 HB2 HIS 9 2HB HIS 9 2.678 6.155 -7.068 78 HB3 HIS 9 1HB HIS 9 1.658 4.727 -6.968 79 HD1 HIS 9 HD1 HIS 9 5.056 5.609 -7.483 80 HD2 HIS 9 HD2 HIS 9 2.529 2.764 -9.173 81 HE1 HIS 9 HE1 HIS 9 6.573 3.881 -8.485 82 HE2 HIS 9 HE2 HIS 9 5.018 2.060 -9.247 83 H ILE 10 H ILE 10 -0.235 4.121 -7.806 84 HA ILE 10 HA ILE 10 -0.319 2.479 -10.203 85 HB ILE 10 HB ILE 10 -1.927 1.037 -8.769 86 HG12 ILE 10 2HG1 ILE 10 -1.487 1.308 -6.241 87 HG13 ILE 10 1HG1 ILE 10 -0.902 2.918 -6.591 88 HG21 ILE 10 1HG2 ILE 10 0.359 0.374 -9.275 89 HG22 ILE 10 2HG2 ILE 10 -0.046 -0.083 -7.622 90 HG23 ILE 10 3HG2 ILE 10 0.975 1.328 -7.922 91 HD11 ILE 10 1HD1 ILE 10 -3.159 2.952 -5.757 92 HD12 ILE 10 2HD1 ILE 10 -3.693 1.885 -7.057 93 HD13 ILE 10 3HD1 ILE 10 -3.117 3.512 -7.427 94 H ALA 11 H ALA 11 -2.359 4.877 -8.698 95 HA ALA 11 HA ALA 11 -4.834 4.478 -9.867 96 HB1 ALA 11 1HB ALA 11 -5.171 6.899 -9.688 97 HB2 ALA 11 2HB ALA 11 -3.435 7.152 -9.489 98 HB3 ALA 11 3HB ALA 11 -4.351 6.292 -8.250 99 H THR 12 H THR 12 -1.791 5.380 -11.372 100 HA THR 12 HA THR 12 -2.674 6.525 -13.789 101 HB THR 12 HB THR 12 -0.188 4.786 -13.454 102 HG1 THR 12 HG1 THR 12 -0.853 7.237 -12.366 103 HG21 THR 12 1HG2 THR 12 0.771 6.274 -15.196 104 HG22 THR 12 2HG2 THR 12 -0.764 7.134 -15.320 105 HG23 THR 12 3HG2 THR 12 -0.660 5.438 -15.804 106 H GLN 13 H GLN 13 -2.095 3.144 -12.875 107 HA GLN 13 HA GLN 13 -2.900 2.129 -15.520 108 HB2 GLN 13 2HB GLN 13 -1.973 -0.021 -14.764 109 HB3 GLN 13 1HB GLN 13 -0.798 1.270 -14.530 110 HG2 GLN 13 2HG GLN 13 -1.321 1.345 -12.137 111 HG3 GLN 13 1HG GLN 13 -2.542 0.099 -12.347 112 HE21 GLN 13 1HE2 GLN 13 0.856 0.758 -12.102 113 HE22 GLN 13 2HE2 GLN 13 1.369 -0.888 -11.995 114 H PHE 14 H PHE 14 -4.077 2.424 -12.281 115 HA PHE 14 HA PHE 14 -6.072 0.288 -12.542 116 HB2 PHE 14 2HB PHE 14 -4.766 1.720 -10.226 117 HB3 PHE 14 1HB PHE 14 -6.445 1.243 -9.974 118 HD1 PHE 14 HD1 PHE 14 -5.657 -0.245 -8.105 119 HD2 PHE 14 HD2 PHE 14 -4.348 -0.876 -12.148 120 HE1 PHE 14 HE1 PHE 14 -4.934 -2.531 -7.551 121 HE2 PHE 14 HE2 PHE 14 -3.634 -3.141 -11.556 122 HZ PHE 14 HZ PHE 14 -3.926 -3.971 -9.263 123 H LEU 15 H LEU 15 -5.864 3.792 -12.484 124 HA LEU 15 HA LEU 15 -8.824 4.030 -12.703 125 HB2 LEU 15 2HB LEU 15 -7.032 5.999 -11.232 126 HB3 LEU 15 1HB LEU 15 -8.785 6.009 -11.297 127 HG LEU 15 HG LEU 15 -7.080 3.943 -9.845 128 HD11 LEU 15 1HD1 LEU 15 -6.990 6.186 -8.831 129 HD12 LEU 15 2HD1 LEU 15 -7.761 4.991 -7.807 130 HD13 LEU 15 3HD1 LEU 15 -8.752 6.179 -8.656 131 HD21 LEU 15 1HD2 LEU 15 -9.200 3.157 -8.833 132 HD22 LEU 15 2HD2 LEU 15 -9.204 2.949 -10.582 133 HD23 LEU 15 3HD2 LEU 15 -10.114 4.275 -9.854 134 H ASP 16 H ASP 16 -6.247 4.242 -14.548 135 HA ASP 16 HA ASP 16 -5.749 5.212 -16.540 136 HB2 ASP 16 2HB ASP 16 -8.324 5.299 -16.777 137 HB3 ASP 16 1HB ASP 16 -8.229 6.968 -16.281 138 H GLY 17 H GLY 17 -5.155 6.522 -13.825 139 HA2 GLY 17 2HA GLY 17 -3.475 8.167 -13.462 140 HA3 GLY 17 1HA GLY 17 -4.044 9.052 -14.866 141 H GLU 18 H GLU 18 -6.756 8.139 -13.193 142 HA GLU 18 HA GLU 18 -7.025 10.823 -12.043 143 HB2 GLU 18 2HB GLU 18 -9.275 10.693 -12.542 144 HB3 GLU 18 1HB GLU 18 -8.740 9.456 -13.680 145 HG2 GLU 18 2HG GLU 18 -9.395 7.697 -12.104 146 HG3 GLU 18 1HG GLU 18 -9.873 8.905 -10.911 147 H LYS 19 H LYS 19 -7.494 11.185 -9.861 148 HA LYS 19 HA LYS 19 -7.407 8.844 -8.032 149 HB2 LYS 19 2HB LYS 19 -6.974 11.775 -7.364 150 HB3 LYS 19 1HB LYS 19 -6.876 10.419 -6.239 151 HG2 LYS 19 2HG LYS 19 -5.028 9.483 -7.751 152 HG3 LYS 19 1HG LYS 19 -5.012 11.058 -8.534 153 HD2 LYS 19 2HD LYS 19 -4.570 10.585 -5.579 154 HD3 LYS 19 1HD LYS 19 -3.284 10.839 -6.760 155 HE2 LYS 19 2HE LYS 19 -5.417 12.842 -5.931 156 HE3 LYS 19 1HE LYS 19 -3.690 12.935 -5.601 157 HZ1 LYS 19 1HZ LYS 19 -4.981 13.125 -8.275 158 HZ2 LYS 19 2HZ LYS 19 -3.311 13.109 -8.010 159 HZ3 LYS 19 3HZ LYS 19 -4.243 14.387 -7.416 160 H ASP 20 H ASP 20 -9.394 8.170 -7.891 161 HA ASP 20 HA ASP 20 -11.424 9.650 -6.550 162 HB2 ASP 20 2HB ASP 20 -11.913 10.598 -8.729 163 HB3 ASP 20 1HB ASP 20 -11.809 9.023 -9.510 164 H GLY 21 H GLY 21 -12.490 8.225 -5.334 165 HA2 GLY 21 2HA GLY 21 -13.625 6.297 -4.730 166 HA3 GLY 21 1HA GLY 21 -13.130 5.530 -6.232 167 H LEU 22 H LEU 22 -10.276 6.465 -5.520 168 HA LEU 22 HA LEU 22 -9.573 4.286 -3.652 169 HB2 LEU 22 2HB LEU 22 -9.021 3.803 -6.073 170 HB3 LEU 22 1HB LEU 22 -8.046 5.245 -6.103 171 HG LEU 22 HG LEU 22 -6.420 4.292 -4.565 172 HD11 LEU 22 1HD1 LEU 22 -8.209 1.857 -4.355 173 HD12 LEU 22 2HD1 LEU 22 -7.878 3.034 -3.084 174 HD13 LEU 22 3HD1 LEU 22 -6.581 2.007 -3.685 175 HD21 LEU 22 1HD2 LEU 22 -5.575 2.422 -5.926 176 HD22 LEU 22 2HD2 LEU 22 -6.120 3.769 -6.922 177 HD23 LEU 22 3HD2 LEU 22 -7.127 2.327 -6.765 178 H ASP 23 H ASP 23 -9.125 5.428 -1.878 179 HA ASP 23 HA ASP 23 -6.872 7.337 -1.968 180 HB2 ASP 23 2HB ASP 23 -9.149 7.206 0.071 181 HB3 ASP 23 1HB ASP 23 -7.683 8.151 0.299 182 H SER 24 H SER 24 -5.622 7.300 0.069 183 HA SER 24 HA SER 24 -4.773 4.763 0.981 184 HB2 SER 24 2HB SER 24 -3.594 6.192 2.727 185 HB3 SER 24 1HB SER 24 -3.281 6.682 1.066 186 HG SER 24 HG SER 24 -3.794 8.413 2.560 187 H GLN 25 H GLN 25 -7.004 7.225 2.211 188 HA GLN 25 HA GLN 25 -7.654 5.983 4.713 189 HB2 GLN 25 2HB GLN 25 -9.153 8.134 3.150 190 HB3 GLN 25 1HB GLN 25 -9.396 7.743 4.853 191 HG2 GLN 25 2HG GLN 25 -7.207 8.570 5.436 192 HG3 GLN 25 1HG GLN 25 -6.767 8.768 3.738 193 HE21 GLN 25 1HE2 GLN 25 -6.840 10.765 5.906 194 HE22 GLN 25 2HE2 GLN 25 -7.883 12.018 5.349 195 H THR 26 H THR 26 -8.741 5.509 1.488 196 HA THR 26 HA THR 26 -11.408 4.658 1.912 197 HB THR 26 HB THR 26 -9.460 4.148 -0.374 198 HG1 THR 26 HG1 THR 26 -11.712 5.878 -0.324 199 HG21 THR 26 1HG2 THR 26 -11.467 3.607 -1.748 200 HG22 THR 26 2HG2 THR 26 -12.449 3.615 -0.275 201 HG23 THR 26 3HG2 THR 26 -11.175 2.412 -0.484 202 HA PRO 27 HA PRO 27 -10.581 0.390 3.303 203 HB2 PRO 27 2HB PRO 27 -13.073 -0.648 2.914 204 HB3 PRO 27 1HB PRO 27 -12.717 0.439 4.287 205 HG2 PRO 27 2HG PRO 27 -14.015 1.092 1.648 206 HG3 PRO 27 1HG PRO 27 -14.490 1.611 3.278 207 HD2 PRO 27 2HD PRO 27 -13.072 3.217 1.611 208 HD3 PRO 27 1HD PRO 27 -12.852 3.274 3.369 209 H LEU 28 H LEU 28 -9.232 -0.451 1.755 210 HA LEU 28 HA LEU 28 -9.755 -0.471 -1.010 211 HB2 LEU 28 2HB LEU 28 -7.754 -2.181 0.505 212 HB3 LEU 28 1HB LEU 28 -7.718 -1.835 -1.220 213 HG LEU 28 HG LEU 28 -7.183 0.090 1.073 214 HD11 LEU 28 1HD1 LEU 28 -5.428 -0.719 -1.254 215 HD12 LEU 28 2HD1 LEU 28 -5.292 -1.302 0.404 216 HD13 LEU 28 3HD1 LEU 28 -5.006 0.398 0.049 217 HD21 LEU 28 1HD2 LEU 28 -7.535 0.812 -1.847 218 HD22 LEU 28 2HD2 LEU 28 -6.897 1.886 -0.599 219 HD23 LEU 28 3HD2 LEU 28 -8.559 1.313 -0.498 220 H PHE 29 H PHE 29 -9.972 -3.161 1.385 221 HA PHE 29 HA PHE 29 -10.862 -4.996 -0.696 222 HB2 PHE 29 2HB PHE 29 -9.888 -5.319 2.135 223 HB3 PHE 29 1HB PHE 29 -10.958 -6.574 1.508 224 HD1 PHE 29 HD1 PHE 29 -7.723 -4.844 0.959 225 HD2 PHE 29 HD2 PHE 29 -10.236 -8.128 -0.172 226 HE1 PHE 29 HE1 PHE 29 -5.894 -5.811 -0.350 227 HE2 PHE 29 HE2 PHE 29 -8.396 -9.088 -1.476 228 HZ PHE 29 HZ PHE 29 -6.238 -7.931 -1.578 229 H GLU 30 H GLU 30 -12.441 -3.139 1.822 230 HA GLU 30 HA GLU 30 -14.944 -4.417 1.903 231 HB2 GLU 30 2HB GLU 30 -14.395 -2.465 3.311 232 HB3 GLU 30 1HB GLU 30 -14.285 -1.446 1.885 233 HG2 GLU 30 2HG GLU 30 -16.362 -0.916 2.909 234 HG3 GLU 30 1HG GLU 30 -16.756 -1.892 1.495 235 H LEU 31 H LEU 31 -13.535 -2.175 -0.401 236 HA LEU 31 HA LEU 31 -15.854 -2.262 -2.199 237 HB2 LEU 31 2HB LEU 31 -13.294 -0.624 -2.403 238 HB3 LEU 31 1HB LEU 31 -14.775 -0.381 -3.321 239 HG LEU 31 HG LEU 31 -14.348 0.127 -0.348 240 HD11 LEU 31 1HD1 LEU 31 -13.401 1.837 -1.789 241 HD12 LEU 31 2HD1 LEU 31 -14.775 2.458 -0.879 242 HD13 LEU 31 3HD1 LEU 31 -14.959 2.065 -2.591 243 HD21 LEU 31 1HD2 LEU 31 -16.948 0.386 -1.906 244 HD22 LEU 31 2HD2 LEU 31 -16.672 0.953 -0.255 245 HD23 LEU 31 3HD2 LEU 31 -16.594 -0.767 -0.615 246 H ASN 32 H ASN 32 -12.702 -3.571 -1.783 247 HA ASN 32 HA ASN 32 -11.312 -4.923 -2.933 248 HB2 ASN 32 2HB ASN 32 -13.936 -5.668 -4.231 249 HB3 ASN 32 1HB ASN 32 -12.448 -6.378 -4.841 250 HD21 ASN 32 1HD2 ASN 32 -11.111 -6.611 -2.263 251 HD22 ASN 32 2HD2 ASN 32 -11.936 -7.853 -1.398 252 H ILE 33 H ILE 33 -10.804 -2.463 -3.558 253 HA ILE 33 HA ILE 33 -11.010 -1.871 -6.386 254 HB ILE 33 HB ILE 33 -9.289 -0.427 -4.322 255 HG12 ILE 33 2HG1 ILE 33 -12.159 0.266 -5.113 256 HG13 ILE 33 1HG1 ILE 33 -11.737 -0.599 -3.638 257 HG21 ILE 33 1HG2 ILE 33 -8.737 0.133 -6.666 258 HG22 ILE 33 2HG2 ILE 33 -9.495 1.507 -5.863 259 HG23 ILE 33 3HG2 ILE 33 -10.431 0.521 -6.987 260 HD11 ILE 33 1HD1 ILE 33 -10.866 2.196 -4.349 261 HD12 ILE 33 2HD1 ILE 33 -10.458 1.323 -2.869 262 HD13 ILE 33 3HD1 ILE 33 -12.135 1.744 -3.211 263 H VAL 34 H VAL 34 -8.303 -2.666 -4.159 264 HA VAL 34 HA VAL 34 -6.400 -2.585 -6.402 265 HB VAL 34 HB VAL 34 -5.920 -1.293 -4.303 266 HG11 VAL 34 1HG1 VAL 34 -5.508 -3.994 -2.976 267 HG12 VAL 34 2HG1 VAL 34 -6.810 -2.852 -2.624 268 HG13 VAL 34 3HG1 VAL 34 -5.136 -2.421 -2.263 269 HG21 VAL 34 1HG2 VAL 34 -3.524 -1.866 -4.133 270 HG22 VAL 34 2HG2 VAL 34 -4.066 -1.885 -5.811 271 HG23 VAL 34 3HG2 VAL 34 -3.823 -3.404 -4.949 272 H ASP 35 H ASP 35 -5.125 -4.332 -7.037 273 HA ASP 35 HA ASP 35 -5.936 -7.016 -6.145 274 HB2 ASP 35 2HB ASP 35 -5.764 -6.467 -8.604 275 HB3 ASP 35 1HB ASP 35 -4.041 -6.251 -8.419 276 H SER 36 H SER 36 -4.178 -8.633 -5.940 277 HA SER 36 HA SER 36 -2.563 -7.890 -3.701 278 HB2 SER 36 2HB SER 36 -2.155 -10.191 -3.435 279 HB3 SER 36 1HB SER 36 -3.758 -10.146 -4.167 280 H ALA 37 H ALA 37 -1.982 -8.192 -7.105 281 HA ALA 37 HA ALA 37 0.889 -8.376 -7.063 282 HB1 ALA 37 1HB ALA 37 0.763 -7.952 -9.484 283 HB2 ALA 37 2HB ALA 37 -0.950 -7.542 -9.344 284 HB3 ALA 37 3HB ALA 37 -0.402 -9.183 -8.996 285 H ALA 38 H ALA 38 -1.471 -5.721 -7.231 286 HA ALA 38 HA ALA 38 0.408 -3.622 -7.781 287 HB1 ALA 38 1HB ALA 38 -1.961 -3.344 -8.339 288 HB2 ALA 38 2HB ALA 38 -1.450 -2.093 -7.207 289 HB3 ALA 38 3HB ALA 38 -2.396 -3.469 -6.635 290 H ILE 39 H ILE 39 -0.779 -5.259 -4.932 291 HA ILE 39 HA ILE 39 -0.138 -3.560 -2.837 292 HB ILE 39 HB ILE 39 0.045 -6.597 -3.016 293 HG12 ILE 39 2HG1 ILE 39 -2.208 -5.596 -3.325 294 HG13 ILE 39 1HG1 ILE 39 -2.127 -6.577 -1.871 295 HG21 ILE 39 1HG2 ILE 39 0.056 -6.687 -0.518 296 HG22 ILE 39 2HG2 ILE 39 0.277 -4.937 -0.477 297 HG23 ILE 39 3HG2 ILE 39 1.530 -5.967 -1.177 298 HD11 ILE 39 1HD1 ILE 39 -1.988 -4.592 -0.507 299 HD12 ILE 39 2HD1 ILE 39 -3.404 -4.544 -1.557 300 HD13 ILE 39 3HD1 ILE 39 -1.987 -3.569 -1.952 301 H PHE 40 H PHE 40 1.982 -5.868 -4.564 302 HA PHE 40 HA PHE 40 4.322 -5.691 -3.082 303 HB2 PHE 40 2HB PHE 40 3.909 -7.346 -4.886 304 HB3 PHE 40 1HB PHE 40 4.014 -6.075 -6.096 305 HD1 PHE 40 HD1 PHE 40 5.980 -7.964 -3.548 306 HD2 PHE 40 HD2 PHE 40 6.167 -5.406 -6.979 307 HE1 PHE 40 HE1 PHE 40 8.405 -8.364 -3.729 308 HE2 PHE 40 HE2 PHE 40 8.589 -5.815 -7.144 309 HZ PHE 40 HZ PHE 40 9.706 -7.295 -5.526 310 H ASP 41 H ASP 41 3.034 -3.420 -5.435 311 HA ASP 41 HA ASP 41 5.438 -1.838 -5.736 312 HB2 ASP 41 2HB ASP 41 3.766 -1.966 -7.536 313 HB3 ASP 41 1HB ASP 41 2.540 -1.265 -6.486 314 H LEU 42 H LEU 42 2.313 -1.448 -4.014 315 HA LEU 42 HA LEU 42 2.826 1.015 -2.714 316 HB2 LEU 42 2HB LEU 42 0.920 -1.271 -2.108 317 HB3 LEU 42 1HB LEU 42 1.048 0.093 -1.011 318 HG LEU 42 HG LEU 42 0.335 1.634 -2.835 319 HD11 LEU 42 1HD1 LEU 42 1.108 0.420 -4.784 320 HD12 LEU 42 2HD1 LEU 42 -0.606 0.790 -4.924 321 HD13 LEU 42 3HD1 LEU 42 -0.091 -0.845 -4.510 322 HD21 LEU 42 1HD2 LEU 42 -1.624 -0.627 -2.313 323 HD22 LEU 42 2HD2 LEU 42 -2.038 0.996 -2.874 324 HD23 LEU 42 3HD2 LEU 42 -1.336 0.774 -1.275 325 H VAL 43 H VAL 43 3.710 -2.269 -1.965 326 HA VAL 43 HA VAL 43 4.641 -1.979 0.690 327 HB VAL 43 HB VAL 43 5.674 -3.843 -1.522 328 HG11 VAL 43 1HG1 VAL 43 7.339 -3.585 0.267 329 HG12 VAL 43 2HG1 VAL 43 6.653 -5.205 0.286 330 HG13 VAL 43 3HG1 VAL 43 6.126 -4.015 1.474 331 HG21 VAL 43 1HG2 VAL 43 3.255 -4.170 -0.896 332 HG22 VAL 43 2HG2 VAL 43 3.793 -4.598 0.719 333 HG23 VAL 43 3HG2 VAL 43 4.278 -5.580 -0.656 334 H ASP 44 H ASP 44 6.406 -2.049 -2.427 335 HA ASP 44 HA ASP 44 8.950 -1.597 -1.423 336 HB2 ASP 44 2HB ASP 44 8.541 -2.347 -3.741 337 HB3 ASP 44 1HB ASP 44 7.788 -0.826 -4.144 338 H PHE 45 H PHE 45 6.480 0.684 -2.465 339 HA PHE 45 HA PHE 45 7.944 3.017 -2.505 340 HB2 PHE 45 2HB PHE 45 5.643 2.846 -3.386 341 HB3 PHE 45 1HB PHE 45 5.009 2.583 -1.765 342 HD1 PHE 45 HD1 PHE 45 6.420 5.100 -4.088 343 HD2 PHE 45 HD2 PHE 45 4.683 4.467 -0.217 344 HE1 PHE 45 HE1 PHE 45 6.119 7.526 -3.803 345 HE2 PHE 45 HE2 PHE 45 4.394 6.897 0.044 346 HZ PHE 45 HZ PHE 45 5.111 8.419 -1.745 347 H LEU 46 H LEU 46 6.151 1.518 0.192 348 HA LEU 46 HA LEU 46 6.672 3.517 2.139 349 HB2 LEU 46 2HB LEU 46 5.877 0.604 2.453 350 HB3 LEU 46 1HB LEU 46 5.885 1.751 3.774 351 HG LEU 46 HG LEU 46 4.079 1.811 1.328 352 HD11 LEU 46 1HD1 LEU 46 3.360 1.356 4.239 353 HD12 LEU 46 2HD1 LEU 46 3.418 0.129 2.973 354 HD13 LEU 46 3HD1 LEU 46 2.237 1.429 2.875 355 HD21 LEU 46 1HD2 LEU 46 4.199 3.827 3.600 356 HD22 LEU 46 2HD2 LEU 46 2.975 3.781 2.327 357 HD23 LEU 46 3HD2 LEU 46 4.655 4.111 1.917 358 H ARG 47 H ARG 47 8.484 0.577 1.241 359 HA ARG 47 HA ARG 47 10.351 0.861 3.490 360 HB2 ARG 47 2HB ARG 47 10.313 -1.152 1.180 361 HB3 ARG 47 1HB ARG 47 11.574 -1.124 2.416 362 HG2 ARG 47 2HG ARG 47 10.061 -2.827 3.072 363 HG3 ARG 47 1HG ARG 47 9.727 -1.468 4.145 364 HD2 ARG 47 2HD ARG 47 7.864 -0.867 2.451 365 HD3 ARG 47 1HD ARG 47 8.112 -2.485 1.816 366 HE ARG 47 HE ARG 47 7.695 -2.988 4.430 367 HH11 ARG 47 1HH1 ARG 47 5.894 -1.041 2.131 368 HH12 ARG 47 2HH1 ARG 47 4.370 -1.313 2.909 369 HH21 ARG 47 1HH2 ARG 47 5.616 -3.374 5.403 370 HH22 ARG 47 2HH2 ARG 47 4.216 -2.616 4.737 371 H GLN 48 H GLN 48 10.074 1.933 0.251 372 HA GLN 48 HA GLN 48 12.824 2.546 -0.320 373 HB2 GLN 48 2HB GLN 48 11.051 2.235 -2.062 374 HB3 GLN 48 1HB GLN 48 10.232 3.679 -1.483 375 HG2 GLN 48 2HG GLN 48 12.230 5.021 -2.158 376 HG3 GLN 48 1HG GLN 48 12.956 3.553 -2.814 377 HE21 GLN 48 1HE2 GLN 48 10.346 2.538 -3.862 378 HE22 GLN 48 2HE2 GLN 48 10.013 3.514 -5.246 379 H GLU 49 H GLU 49 10.017 4.224 1.022 380 HA GLU 49 HA GLU 49 11.301 6.775 1.383 381 HB2 GLU 49 2HB GLU 49 8.642 5.656 2.385 382 HB3 GLU 49 1HB GLU 49 9.176 7.307 2.676 383 HG2 GLU 49 2HG GLU 49 8.655 6.075 -0.047 384 HG3 GLU 49 1HG GLU 49 7.583 7.186 0.804 385 H SER 50 H SER 50 10.221 4.160 3.587 386 HA SER 50 HA SER 50 11.257 5.481 5.946 387 HB2 SER 50 2HB SER 50 9.128 4.181 5.973 388 HB3 SER 50 1HB SER 50 10.033 2.696 5.674 389 HG SER 50 HG SER 50 9.513 3.891 7.984 390 H LYS 51 H LYS 51 12.690 3.535 3.594 391 HA LYS 51 HA LYS 51 14.703 2.554 3.336 392 HB2 LYS 51 2HB LYS 51 15.506 3.972 5.918 393 HB3 LYS 51 1HB LYS 51 16.594 3.369 4.675 394 HG2 LYS 51 2HG LYS 51 14.605 5.636 4.344 395 HG3 LYS 51 1HG LYS 51 16.349 5.812 4.551 396 HD2 LYS 51 2HD LYS 51 16.773 4.749 2.409 397 HD3 LYS 51 1HD LYS 51 15.066 4.335 2.220 398 HE2 LYS 51 2HE LYS 51 15.589 6.245 0.824 399 HE3 LYS 51 1HE LYS 51 14.524 6.764 2.126 400 HZ1 LYS 51 1HZ LYS 51 16.558 7.517 3.305 401 HZ2 LYS 51 2HZ LYS 51 16.208 8.377 1.902 402 HZ3 LYS 51 3HZ LYS 51 17.443 7.221 1.896 403 H VAL 52 H VAL 52 13.161 0.718 3.958 404 HA VAL 52 HA VAL 52 14.406 -0.945 6.077 405 HB VAL 52 HB VAL 52 11.476 -1.308 5.305 406 HG11 VAL 52 1HG1 VAL 52 12.571 -3.138 6.544 407 HG12 VAL 52 2HG1 VAL 52 11.293 -2.397 7.502 408 HG13 VAL 52 3HG1 VAL 52 12.978 -2.027 7.858 409 HG21 VAL 52 1HG2 VAL 52 11.608 1.039 6.025 410 HG22 VAL 52 2HG2 VAL 52 12.371 0.553 7.541 411 HG23 VAL 52 3HG2 VAL 52 10.711 0.063 7.188 412 H SER 53 H SER 53 14.532 -3.198 5.534 413 HA SER 53 HA SER 53 13.842 -3.965 2.764 414 HB2 SER 53 2HB SER 53 15.300 -5.996 3.285 415 HB3 SER 53 1HB SER 53 16.144 -4.453 3.227 416 HG SER 53 HG SER 53 16.623 -4.634 5.260 417 H ILE 54 H ILE 54 12.290 -5.495 2.409 418 HA ILE 54 HA ILE 54 10.962 -6.779 4.724 419 HB ILE 54 HB ILE 54 9.656 -4.777 3.956 420 HG12 ILE 54 2HG1 ILE 54 8.280 -7.459 3.461 421 HG13 ILE 54 1HG1 ILE 54 8.445 -6.647 5.010 422 HG21 ILE 54 1HG2 ILE 54 8.526 -4.737 1.782 423 HG22 ILE 54 2HG2 ILE 54 9.316 -6.244 1.314 424 HG23 ILE 54 3HG2 ILE 54 10.279 -4.786 1.569 425 HD11 ILE 54 1HD1 ILE 54 6.204 -6.432 4.146 426 HD12 ILE 54 2HD1 ILE 54 6.803 -5.683 2.669 427 HD13 ILE 54 3HD1 ILE 54 6.979 -4.850 4.217 428 H GLY 55 H GLY 55 10.113 -8.834 4.317 429 HA2 GLY 55 2HA GLY 55 10.818 -10.141 1.751 430 HA3 GLY 55 1HA GLY 55 10.460 -10.956 3.268 431 H MET 56 H MET 56 9.198 -11.845 1.031 432 HA MET 56 HA MET 56 6.759 -10.583 0.334 433 HB2 MET 56 2HB MET 56 7.581 -13.491 0.005 434 HB3 MET 56 1HB MET 56 6.209 -12.732 -0.797 435 HG2 MET 56 2HG MET 56 9.137 -12.067 -1.210 436 HG3 MET 56 1HG MET 56 8.065 -12.889 -2.346 437 HE1 MET 56 1HE MET 56 5.331 -11.010 -2.025 438 HE2 MET 56 2HE MET 56 5.973 -11.670 -3.530 439 HE3 MET 56 3HE MET 56 5.640 -9.946 -3.404 440 H GLN 57 H GLN 57 7.515 -12.200 3.202 441 HA GLN 57 HA GLN 57 5.004 -13.500 3.726 442 HB2 GLN 57 2HB GLN 57 7.196 -14.234 4.707 443 HB3 GLN 57 1HB GLN 57 7.228 -12.766 5.676 444 HG2 GLN 57 2HG GLN 57 6.463 -14.682 7.008 445 HG3 GLN 57 1HG GLN 57 5.183 -13.480 6.849 446 HE21 GLN 57 1HE2 GLN 57 3.508 -14.937 7.203 447 HE22 GLN 57 2HE2 GLN 57 3.086 -16.193 6.098 448 H GLU 58 H GLU 58 6.459 -10.364 4.563 449 HA GLU 58 HA GLU 58 4.164 -9.588 6.221 450 HB2 GLU 58 2HB GLU 58 6.658 -8.004 5.466 451 HB3 GLU 58 1HB GLU 58 5.442 -7.504 6.639 452 HG2 GLU 58 2HG GLU 58 6.028 -9.381 8.087 453 HG3 GLU 58 1HG GLU 58 7.182 -9.970 6.896 454 H ILE 59 H ILE 59 5.402 -9.178 2.986 455 HA ILE 59 HA ILE 59 3.605 -7.178 2.044 456 HB ILE 59 HB ILE 59 4.805 -9.559 0.546 457 HG12 ILE 59 2HG1 ILE 59 5.747 -6.682 0.846 458 HG13 ILE 59 1HG1 ILE 59 6.557 -8.130 1.424 459 HG21 ILE 59 1HG2 ILE 59 4.301 -8.327 -1.557 460 HG22 ILE 59 2HG2 ILE 59 3.443 -7.100 -0.623 461 HG23 ILE 59 3HG2 ILE 59 2.837 -8.753 -0.669 462 HD11 ILE 59 1HD1 ILE 59 6.187 -7.321 -1.455 463 HD12 ILE 59 2HD1 ILE 59 6.975 -8.800 -0.892 464 HD13 ILE 59 3HD1 ILE 59 7.672 -7.229 -0.505 465 H HIS 60 H HIS 60 1.548 -7.506 2.835 466 HA HIS 60 HA HIS 60 0.051 -9.699 1.628 467 HB2 HIS 60 2HB HIS 60 0.369 -9.309 4.570 468 HB3 HIS 60 1HB HIS 60 -1.282 -9.586 4.026 469 HD1 HIS 60 HD1 HIS 60 2.123 -11.268 3.884 470 HD2 HIS 60 HD2 HIS 60 -1.918 -12.141 3.443 471 HE1 HIS 60 HE1 HIS 60 2.001 -13.765 3.682 472 HE2 HIS 60 HE2 HIS 60 -0.459 -14.282 3.583 473 HA PRO 61 HA PRO 61 -2.762 -6.350 0.624 474 HB2 PRO 61 2HB PRO 61 -4.828 -8.013 -0.220 475 HB3 PRO 61 1HB PRO 61 -3.462 -7.540 -1.238 476 HG2 PRO 61 2HG PRO 61 -3.882 -10.073 0.299 477 HG3 PRO 61 1HG PRO 61 -3.227 -9.837 -1.339 478 HD2 PRO 61 2HD PRO 61 -1.604 -10.291 0.765 479 HD3 PRO 61 1HD PRO 61 -1.121 -9.199 -0.544 480 H ALA 62 H ALA 62 -3.331 -9.049 2.782 481 HA ALA 62 HA ALA 62 -5.645 -8.231 4.143 482 HB1 ALA 62 1HB ALA 62 -4.885 -9.740 5.952 483 HB2 ALA 62 2HB ALA 62 -3.289 -9.827 5.200 484 HB3 ALA 62 3HB ALA 62 -4.692 -10.488 4.364 485 H ASN 63 H ASN 63 -2.235 -7.406 4.590 486 HA ASN 63 HA ASN 63 -2.671 -5.764 6.967 487 HB2 ASN 63 2HB ASN 63 -0.126 -6.225 5.342 488 HB3 ASN 63 1HB ASN 63 -0.217 -5.426 6.909 489 HD21 ASN 63 1HD2 ASN 63 1.382 -7.695 6.205 490 HD22 ASN 63 2HD2 ASN 63 0.898 -8.993 7.238 491 H PHE 64 H PHE 64 -2.275 -5.336 3.513 492 HA PHE 64 HA PHE 64 -1.935 -2.423 3.741 493 HB2 PHE 64 2HB PHE 64 -1.744 -4.366 1.393 494 HB3 PHE 64 1HB PHE 64 -1.783 -2.621 1.154 495 HD1 PHE 64 HD1 PHE 64 0.191 -5.402 2.605 496 HD2 PHE 64 HD2 PHE 64 0.168 -1.262 1.577 497 HE1 PHE 64 HE1 PHE 64 2.602 -5.319 2.958 498 HE2 PHE 64 HE2 PHE 64 2.597 -1.183 1.944 499 HZ PHE 64 HZ PHE 64 3.819 -3.213 2.617 500 H ALA 65 H ALA 65 -4.500 -4.128 4.263 501 HA ALA 65 HA ALA 65 -6.419 -3.633 2.256 502 HB1 ALA 65 1HB ALA 65 -8.070 -4.306 3.945 503 HB2 ALA 65 2HB ALA 65 -6.859 -4.137 5.220 504 HB3 ALA 65 3HB ALA 65 -6.664 -5.370 3.973 505 H THR 66 H THR 66 -5.220 -1.559 4.776 506 HA THR 66 HA THR 66 -6.684 0.740 3.713 507 HB THR 66 HB THR 66 -7.143 1.579 6.119 508 HG1 THR 66 HG1 THR 66 -7.334 -1.035 7.049 509 HG21 THR 66 1HG2 THR 66 -9.287 0.405 6.392 510 HG22 THR 66 2HG2 THR 66 -8.776 -0.834 5.246 511 HG23 THR 66 3HG2 THR 66 -9.023 0.824 4.695 512 H VAL 67 H VAL 67 -5.670 2.825 4.558 513 HA VAL 67 HA VAL 67 -2.841 2.753 4.583 514 HB VAL 67 HB VAL 67 -4.103 4.775 3.884 515 HG11 VAL 67 1HG1 VAL 67 -4.966 6.416 5.506 516 HG12 VAL 67 2HG1 VAL 67 -4.647 5.291 6.828 517 HG13 VAL 67 3HG1 VAL 67 -5.846 4.888 5.598 518 HG21 VAL 67 1HG2 VAL 67 -1.709 4.963 4.376 519 HG22 VAL 67 2HG2 VAL 67 -2.059 5.329 6.066 520 HG23 VAL 67 3HG2 VAL 67 -2.544 6.460 4.799 521 H GLN 68 H GLN 68 -5.190 2.995 7.223 522 HA GLN 68 HA GLN 68 -3.392 3.574 9.308 523 HB2 GLN 68 2HB GLN 68 -5.240 2.947 10.815 524 HB3 GLN 68 1HB GLN 68 -5.829 3.942 9.491 525 HG2 GLN 68 2HG GLN 68 -6.660 1.885 8.352 526 HG3 GLN 68 1HG GLN 68 -6.137 0.928 9.737 527 HE21 GLN 68 1HE2 GLN 68 -7.268 1.185 11.726 528 HE22 GLN 68 2HE2 GLN 68 -8.852 1.862 11.776 529 H SER 69 H SER 69 -4.448 0.547 7.839 530 HA SER 69 HA SER 69 -3.212 -1.183 9.772 531 HB2 SER 69 2HB SER 69 -5.214 -1.836 8.390 532 HB3 SER 69 1HB SER 69 -4.179 -1.868 6.963 533 HG SER 69 HG SER 69 -3.595 -3.787 7.537 534 H MET 70 H MET 70 -2.303 0.102 6.540 535 HA MET 70 HA MET 70 -0.020 -1.627 6.238 536 HB2 MET 70 2HB MET 70 0.401 -0.586 4.151 537 HB3 MET 70 1HB MET 70 -1.347 -0.646 4.297 538 HG2 MET 70 2HG MET 70 -1.386 1.735 4.874 539 HG3 MET 70 1HG MET 70 0.372 1.803 4.772 540 HE1 MET 70 1HE MET 70 -2.081 -0.210 2.345 541 HE2 MET 70 2HE MET 70 -2.378 1.027 1.123 542 HE3 MET 70 3HE MET 70 -2.974 1.253 2.768 543 H VAL 71 H VAL 71 -0.509 1.694 7.399 544 HA VAL 71 HA VAL 71 2.257 2.403 7.614 545 HB VAL 71 HB VAL 71 -0.189 3.537 9.070 546 HG11 VAL 71 1HG1 VAL 71 2.669 4.625 9.115 547 HG12 VAL 71 2HG1 VAL 71 1.799 3.938 10.486 548 HG13 VAL 71 3HG1 VAL 71 1.250 5.451 9.771 549 HG21 VAL 71 1HG2 VAL 71 1.452 4.648 6.759 550 HG22 VAL 71 2HG2 VAL 71 0.085 5.456 7.528 551 HG23 VAL 71 3HG2 VAL 71 -0.167 3.952 6.644 552 H ALA 72 H ALA 72 -0.163 1.139 9.930 553 HA ALA 72 HA ALA 72 1.482 1.013 12.189 554 HB1 ALA 72 1HB ALA 72 -0.191 -0.542 13.125 555 HB2 ALA 72 2HB ALA 72 -0.915 -0.722 11.524 556 HB3 ALA 72 3HB ALA 72 -0.959 0.841 12.339 557 H LEU 73 H LEU 73 0.964 -1.271 9.532 558 HA LEU 73 HA LEU 73 2.351 -3.523 10.487 559 HB2 LEU 73 2HB LEU 73 1.008 -3.959 8.616 560 HB3 LEU 73 1HB LEU 73 1.424 -2.442 7.837 561 HG LEU 73 HG LEU 73 3.732 -3.455 7.399 562 HD11 LEU 73 1HD1 LEU 73 2.321 -6.060 8.061 563 HD12 LEU 73 2HD1 LEU 73 3.660 -5.328 8.952 564 HD13 LEU 73 3HD1 LEU 73 3.913 -5.906 7.308 565 HD21 LEU 73 1HD2 LEU 73 1.354 -4.659 5.981 566 HD22 LEU 73 2HD2 LEU 73 2.997 -4.535 5.350 567 HD23 LEU 73 3HD2 LEU 73 2.065 -3.075 5.676 568 H VAL 74 H VAL 74 3.330 -0.689 8.523 569 HA VAL 74 HA VAL 74 6.029 -1.352 8.157 570 HB VAL 74 HB VAL 74 4.736 1.410 8.277 571 HG11 VAL 74 1HG1 VAL 74 7.596 0.763 7.415 572 HG12 VAL 74 2HG1 VAL 74 7.126 1.691 8.839 573 HG13 VAL 74 3HG1 VAL 74 6.804 2.333 7.230 574 HG21 VAL 74 1HG2 VAL 74 4.928 1.349 5.808 575 HG22 VAL 74 2HG2 VAL 74 4.007 -0.034 6.400 576 HG23 VAL 74 3HG2 VAL 74 5.681 -0.248 5.900 577 H GLN 75 H GLN 75 4.423 0.405 10.804 578 HA GLN 75 HA GLN 75 6.838 1.139 12.162 579 HB2 GLN 75 2HB GLN 75 4.026 0.955 13.323 580 HB3 GLN 75 1HB GLN 75 5.377 1.878 13.973 581 HG2 GLN 75 2HG GLN 75 3.831 2.415 11.434 582 HG3 GLN 75 1HG GLN 75 3.881 3.401 12.886 583 HE21 GLN 75 1HE2 GLN 75 4.528 3.987 10.031 584 HE22 GLN 75 2HE2 GLN 75 6.114 4.667 10.058 585 H ARG 76 H ARG 76 4.912 -1.746 12.118 586 HA ARG 76 HA ARG 76 6.077 -2.927 14.494 587 HB2 ARG 76 2HB ARG 76 4.264 -4.026 12.316 588 HB3 ARG 76 1HB ARG 76 4.873 -5.020 13.636 589 HG2 ARG 76 2HG ARG 76 3.128 -2.553 13.944 590 HG3 ARG 76 1HG ARG 76 2.598 -4.230 14.103 591 HD2 ARG 76 2HD ARG 76 4.604 -2.799 15.882 592 HD3 ARG 76 1HD ARG 76 2.953 -3.245 16.316 593 HE ARG 76 HE ARG 76 4.030 -5.623 15.649 594 HH11 ARG 76 1HH1 ARG 76 5.174 -3.149 17.877 595 HH12 ARG 76 2HH1 ARG 76 5.984 -4.296 18.898 596 HH21 ARG 76 1HH2 ARG 76 5.108 -7.078 16.974 597 HH22 ARG 76 2HH2 ARG 76 5.946 -6.514 18.386 598 H LEU 77 H LEU 77 6.586 -3.189 10.938 599 HA LEU 77 HA LEU 77 8.653 -5.193 11.295 600 HB2 LEU 77 2HB LEU 77 9.010 -5.045 8.851 601 HB3 LEU 77 1HB LEU 77 7.361 -5.405 9.306 602 HG LEU 77 HG LEU 77 6.805 -2.971 8.847 603 HD11 LEU 77 1HD1 LEU 77 8.964 -1.883 8.905 604 HD12 LEU 77 2HD1 LEU 77 8.250 -1.690 7.295 605 HD13 LEU 77 3HD1 LEU 77 9.541 -2.869 7.544 606 HD21 LEU 77 1HD2 LEU 77 6.628 -3.331 6.423 607 HD22 LEU 77 2HD2 LEU 77 6.146 -4.730 7.373 608 HD23 LEU 77 3HD2 LEU 77 7.714 -4.720 6.560 609 H LYS 78 H LYS 78 8.570 -1.775 11.400 610 HA LYS 78 HA LYS 78 11.250 -1.096 10.881 611 HB2 LYS 78 2HB LYS 78 9.247 0.008 12.872 612 HB3 LYS 78 1HB LYS 78 10.834 0.715 12.660 613 HG2 LYS 78 2HG LYS 78 8.631 0.576 10.596 614 HG3 LYS 78 1HG LYS 78 9.124 2.005 11.486 615 HD2 LYS 78 2HD LYS 78 10.898 0.493 9.539 616 HD3 LYS 78 1HD LYS 78 9.952 1.918 9.120 617 HE2 LYS 78 2HE LYS 78 11.238 3.221 10.832 618 HE3 LYS 78 1HE LYS 78 12.234 1.789 11.121 619 HZ1 LYS 78 1HZ LYS 78 13.273 3.327 9.581 620 HZ2 LYS 78 2HZ LYS 78 11.964 3.199 8.523 621 HZ3 LYS 78 3HZ LYS 78 12.940 1.852 8.827 622 H ALA 79 H ALA 79 9.722 -2.849 13.460 623 HA ALA 79 HA ALA 79 11.703 -2.577 15.472 624 HB1 ALA 79 1HB ALA 79 9.526 -4.678 15.160 625 HB2 ALA 79 2HB ALA 79 9.370 -3.139 16.009 626 HB3 ALA 79 3HB ALA 79 10.463 -4.377 16.626 627 H HIS 80 H HIS 80 11.278 -4.930 12.763 628 HA HIS 80 HA HIS 80 13.444 -6.588 13.737 629 HB2 HIS 80 2HB HIS 80 13.423 -7.806 11.602 630 HB3 HIS 80 1HB HIS 80 11.807 -7.692 12.274 631 HD1 HIS 80 HD1 HIS 80 13.826 -5.695 9.682 632 HD2 HIS 80 HD2 HIS 80 10.026 -7.225 10.326 633 HE1 HIS 80 HE1 HIS 80 12.539 -5.216 7.584 634 HE2 HIS 80 HE2 HIS 80 10.328 -6.380 7.919 635 HA PRO 81 HA PRO 81 16.620 -3.597 12.767 636 HB2 PRO 81 2HB PRO 81 18.467 -5.993 12.744 637 HB3 PRO 81 1HB PRO 81 18.563 -4.498 13.703 638 HG2 PRO 81 2HG PRO 81 17.796 -6.749 14.870 639 HG3 PRO 81 1HG PRO 81 16.975 -5.218 15.258 640 HD2 PRO 81 2HD PRO 81 16.037 -7.441 13.435 641 HD3 PRO 81 1HD PRO 81 15.122 -6.515 14.647 642 H GLU 82 H GLU 82 16.673 -6.652 10.954 643 HA GLU 82 HA GLU 82 17.162 -5.316 8.415 644 HB2 GLU 82 2HB GLU 82 19.438 -5.538 9.424 645 HB3 GLU 82 1HB GLU 82 19.196 -7.272 9.589 646 HG2 GLU 82 2HG GLU 82 18.978 -7.386 7.064 647 HG3 GLU 82 1HG GLU 82 19.454 -5.687 7.013 648 H GLN 83 H GLN 83 16.359 -6.504 6.756 649 HA GLN 83 HA GLN 83 16.055 -9.432 6.961 650 HB2 GLN 83 2HB GLN 83 13.889 -7.421 6.363 651 HB3 GLN 83 1HB GLN 83 13.906 -8.864 5.357 652 HG2 GLN 83 2HG GLN 83 13.808 -10.250 7.433 653 HG3 GLN 83 1HG GLN 83 13.645 -8.763 8.373 654 HE21 GLN 83 1HE2 GLN 83 11.616 -9.420 9.129 655 HE22 GLN 83 2HE2 GLN 83 10.204 -9.389 8.134 656 H GLY 84 H GLY 84 18.188 -8.089 5.937 657 HA2 GLY 84 2HA GLY 84 18.078 -7.685 3.087 658 HA3 GLY 84 1HA GLY 84 19.517 -7.745 4.100 659 H GLY 85 H GLY 85 17.058 -9.753 2.547 660 HA2 GLY 85 2HA GLY 85 17.387 -11.746 1.355 661 HA3 GLY 85 1HA GLY 85 18.972 -11.939 2.099 662 H ALA 86 H ALA 86 15.493 -11.856 2.953 663 HA ALA 86 HA ALA 86 15.630 -13.516 5.276 664 HB1 ALA 86 1HB ALA 86 13.683 -12.050 4.825 665 HB2 ALA 86 2HB ALA 86 13.162 -13.725 5.013 666 HB3 ALA 86 3HB ALA 86 13.275 -13.010 3.403 667 H ALA 87 H ALA 87 15.283 -14.099 1.862 668 HA ALA 87 HA ALA 87 16.378 -16.808 2.239 669 HB1 ALA 87 1HB ALA 87 15.038 -17.604 0.297 670 HB2 ALA 87 2HB ALA 87 14.203 -16.049 0.238 671 HB3 ALA 87 3HB ALA 87 13.994 -17.109 1.632 672 H LEU 88 H LEU 88 18.199 -17.100 0.866 673 HA LEU 88 HA LEU 88 19.053 -14.840 -0.735 674 HB2 LEU 88 2HB LEU 88 20.542 -16.465 0.686 675 HB3 LEU 88 1HB LEU 88 20.429 -17.551 -0.684 676 HG LEU 88 HG LEU 88 22.539 -16.225 -0.628 677 HD11 LEU 88 1HD1 LEU 88 21.771 -17.068 -2.779 678 HD12 LEU 88 2HD1 LEU 88 22.626 -15.539 -2.955 679 HD13 LEU 88 3HD1 LEU 88 20.864 -15.579 -3.057 680 HD21 LEU 88 1HD2 LEU 88 22.549 -13.825 -1.109 681 HD22 LEU 88 2HD2 LEU 88 21.678 -14.172 0.382 682 HD23 LEU 88 3HD2 LEU 88 20.782 -13.800 -1.092 683 H GLU 89 H GLU 89 17.440 -14.688 -2.275 684 HA GLU 89 HA GLU 89 17.357 -16.794 -4.357 685 HB2 GLU 89 2HB GLU 89 15.170 -15.275 -4.983 686 HB3 GLU 89 1HB GLU 89 15.111 -16.681 -3.939 687 HG2 GLU 89 2HG GLU 89 13.800 -14.959 -2.921 688 HG3 GLU 89 1HG GLU 89 15.255 -15.175 -1.956 689 H282 PNS 101 3H28 PNS 136 -0.770 -12.390 -2.515 690 H281 PNS 101 2H28 PNS 136 -0.405 -10.678 -2.671 691 H303 PNS 101 3H51 PNS 136 0.923 -10.813 -0.561 692 H302 PNS 101 2H51 PNS 136 0.566 -12.533 -0.442 693 H301 PNS 101 1H51 PNS 136 2.248 -11.979 -0.414 694 H313 PNS 101 3H52 PNS 136 3.269 -10.977 -2.513 695 H312 PNS 101 2H52 PNS 136 1.927 -9.845 -2.593 696 H311 PNS 101 1H52 PNS 136 2.319 -10.858 -3.997 697 H32 PNS 101 H32 PNS 136 2.795 -13.503 -2.181 698 H33 PNS 101 H33 PNS 136 0.251 -14.375 -3.022 699 H36 PNS 101 H36 PNS 136 3.952 -12.777 -3.894 700 H372 PNS 101 3H37 PNS 136 3.585 -13.936 -6.491 701 H371 PNS 101 2H37 PNS 136 3.482 -12.172 -6.453 702 H382 PNS 101 3H38 PNS 136 5.715 -12.211 -5.191 703 H381 PNS 101 2H38 PNS 136 5.830 -13.910 -5.664 704 H41 PNS 101 H41 PNS 136 5.281 -10.738 -6.744 705 H422 PNS 101 3H42 PNS 136 5.678 -10.844 -9.504 706 H421 PNS 101 2H42 PNS 136 7.170 -10.361 -8.689 707 H431 PNS 101 2H43 PNS 136 5.871 -8.595 -7.459 708 H432 PNS 101 3H43 PNS 136 5.816 -8.347 -9.224 709 H44 PNS 101 H44 PNS 136 3.360 -9.813 -7.311 Start of MODEL 17 1 H1 MET 1 1H MET 1 0.947 16.115 2.367 2 H2 MET 1 2H MET 1 1.912 14.766 2.656 3 H3 MET 1 3H MET 1 0.335 14.570 2.086 4 HA MET 1 HA MET 1 0.884 15.626 0.035 5 HB2 MET 1 2HB MET 1 3.733 15.720 1.117 6 HB3 MET 1 1HB MET 1 3.238 16.190 -0.503 7 HG2 MET 1 2HG MET 1 1.913 18.042 0.443 8 HG3 MET 1 1HG MET 1 2.431 17.575 2.068 9 HE1 MET 1 1HE MET 1 2.841 20.547 0.953 10 HE2 MET 1 2HE MET 1 4.502 20.878 1.447 11 HE3 MET 1 3HE MET 1 3.405 20.044 2.548 12 H LEU 2 H LEU 2 3.395 13.636 1.578 13 HA LEU 2 HA LEU 2 4.165 12.092 -0.590 14 HB2 LEU 2 2HB LEU 2 5.443 12.367 1.503 15 HB3 LEU 2 1HB LEU 2 4.246 11.420 2.373 16 HG LEU 2 HG LEU 2 4.875 9.466 0.790 17 HD11 LEU 2 1HD1 LEU 2 6.040 10.746 -0.938 18 HD12 LEU 2 2HD1 LEU 2 7.096 9.519 -0.243 19 HD13 LEU 2 3HD1 LEU 2 7.291 11.211 0.220 20 HD21 LEU 2 1HD2 LEU 2 5.494 9.531 3.157 21 HD22 LEU 2 2HD2 LEU 2 6.959 10.435 2.767 22 HD23 LEU 2 3HD2 LEU 2 6.756 8.786 2.181 23 H GLU 3 H GLU 3 1.636 11.413 1.783 24 HA GLU 3 HA GLU 3 1.358 8.648 1.154 25 HB2 GLU 3 2HB GLU 3 0.769 9.947 3.358 26 HB3 GLU 3 1HB GLU 3 -0.777 10.258 2.580 27 HG2 GLU 3 2HG GLU 3 -1.266 7.894 2.459 28 HG3 GLU 3 1HG GLU 3 0.360 7.481 2.997 29 H SER 4 H SER 4 0.197 11.466 -0.389 30 HA SER 4 HA SER 4 -2.072 10.245 -1.746 31 HB2 SER 4 2HB SER 4 -2.108 12.674 -1.219 32 HB3 SER 4 1HB SER 4 -0.676 12.925 -2.212 33 HG SER 4 HG SER 4 -3.268 12.768 -2.946 34 H LYS 5 H LYS 5 1.373 10.559 -2.251 35 HA LYS 5 HA LYS 5 1.437 10.336 -5.100 36 HB2 LYS 5 2HB LYS 5 3.371 11.255 -3.932 37 HB3 LYS 5 1HB LYS 5 3.583 9.773 -3.009 38 HG2 LYS 5 2HG LYS 5 5.275 9.868 -4.748 39 HG3 LYS 5 1HG LYS 5 4.149 8.566 -5.121 40 HD2 LYS 5 2HD LYS 5 4.430 9.583 -7.222 41 HD3 LYS 5 1HD LYS 5 2.953 10.349 -6.643 42 HE2 LYS 5 2HE LYS 5 5.736 11.557 -6.507 43 HE3 LYS 5 1HE LYS 5 4.503 11.969 -7.694 44 HZ1 LYS 5 1HZ LYS 5 4.379 12.449 -4.771 45 HZ2 LYS 5 2HZ LYS 5 3.112 12.758 -5.843 46 HZ3 LYS 5 3HZ LYS 5 4.561 13.604 -5.985 47 H LEU 6 H LEU 6 1.636 7.936 -2.436 48 HA LEU 6 HA LEU 6 2.220 5.687 -4.074 49 HB2 LEU 6 2HB LEU 6 1.540 4.283 -2.134 50 HB3 LEU 6 1HB LEU 6 2.700 5.530 -1.742 51 HG LEU 6 HG LEU 6 0.511 6.860 -0.949 52 HD11 LEU 6 1HD1 LEU 6 -1.167 5.411 0.107 53 HD12 LEU 6 2HD1 LEU 6 -0.399 3.988 -0.601 54 HD13 LEU 6 3HD1 LEU 6 -1.136 5.204 -1.644 55 HD21 LEU 6 1HD2 LEU 6 0.912 6.088 1.342 56 HD22 LEU 6 2HD2 LEU 6 2.426 6.338 0.477 57 HD23 LEU 6 3HD2 LEU 6 1.821 4.699 0.731 58 H ILE 7 H ILE 7 -0.803 7.250 -3.165 59 HA ILE 7 HA ILE 7 -2.615 5.393 -4.345 60 HB ILE 7 HB ILE 7 -2.930 8.415 -3.996 61 HG12 ILE 7 2HG1 ILE 7 -2.611 7.260 -1.831 62 HG13 ILE 7 1HG1 ILE 7 -4.261 7.854 -1.966 63 HG21 ILE 7 1HG2 ILE 7 -5.075 6.334 -4.613 64 HG22 ILE 7 2HG2 ILE 7 -4.479 7.567 -5.723 65 HG23 ILE 7 3HG2 ILE 7 -5.376 8.042 -4.277 66 HD11 ILE 7 1HD1 ILE 7 -3.383 5.004 -2.409 67 HD12 ILE 7 2HD1 ILE 7 -5.045 5.611 -2.489 68 HD13 ILE 7 3HD1 ILE 7 -4.166 5.646 -0.963 69 H ASN 8 H ASN 8 -1.348 8.500 -5.533 70 HA ASN 8 HA ASN 8 -2.528 8.510 -8.059 71 HB2 ASN 8 2HB ASN 8 -1.475 10.500 -6.916 72 HB3 ASN 8 1HB ASN 8 0.112 9.860 -7.328 73 HD21 ASN 8 1HD2 ASN 8 0.801 9.945 -9.515 74 HD22 ASN 8 2HD2 ASN 8 -0.015 10.912 -10.690 75 H HIS 9 H HIS 9 0.425 7.007 -7.009 76 HA HIS 9 HA HIS 9 1.850 6.627 -9.363 77 HB2 HIS 9 2HB HIS 9 2.697 6.158 -7.064 78 HB3 HIS 9 1HB HIS 9 1.658 4.747 -6.965 79 HD1 HIS 9 HD1 HIS 9 5.042 5.419 -7.340 80 HD2 HIS 9 HD2 HIS 9 2.452 2.963 -9.449 81 HE1 HIS 9 HE1 HIS 9 6.496 3.698 -8.433 82 HE2 HIS 9 HE2 HIS 9 4.866 2.076 -9.464 83 H ILE 10 H ILE 10 -0.247 4.146 -7.790 84 HA ILE 10 HA ILE 10 -0.440 2.696 -10.297 85 HB ILE 10 HB ILE 10 -1.836 1.045 -8.978 86 HG12 ILE 10 2HG1 ILE 10 -1.297 1.200 -6.382 87 HG13 ILE 10 1HG1 ILE 10 -1.133 2.916 -6.690 88 HG21 ILE 10 1HG2 ILE 10 0.131 0.007 -7.887 89 HG22 ILE 10 2HG2 ILE 10 1.024 1.518 -8.080 90 HG23 ILE 10 3HG2 ILE 10 0.494 0.616 -9.503 91 HD11 ILE 10 1HD1 ILE 10 -3.587 1.240 -7.144 92 HD12 ILE 10 2HD1 ILE 10 -3.438 2.970 -7.476 93 HD13 ILE 10 3HD1 ILE 10 -3.298 2.373 -5.824 94 H ALA 11 H ALA 11 -2.447 4.954 -8.518 95 HA ALA 11 HA ALA 11 -4.970 4.554 -9.602 96 HB1 ALA 11 1HB ALA 11 -5.365 6.959 -9.286 97 HB2 ALA 11 2HB ALA 11 -3.629 7.239 -9.138 98 HB3 ALA 11 3HB ALA 11 -4.473 6.288 -7.916 99 H THR 12 H THR 12 -2.059 5.652 -11.190 100 HA THR 12 HA THR 12 -3.107 6.815 -13.542 101 HB THR 12 HB THR 12 -0.459 5.340 -13.180 102 HG1 THR 12 HG1 THR 12 -0.453 7.031 -11.755 103 HG21 THR 12 1HG2 THR 12 -1.283 7.401 -15.263 104 HG22 THR 12 2HG2 THR 12 -0.961 5.692 -15.571 105 HG23 THR 12 3HG2 THR 12 0.347 6.758 -15.050 106 H GLN 13 H GLN 13 -2.164 3.491 -12.745 107 HA GLN 13 HA GLN 13 -2.916 2.459 -15.406 108 HB2 GLN 13 2HB GLN 13 -1.707 0.405 -14.706 109 HB3 GLN 13 1HB GLN 13 -0.694 1.834 -14.534 110 HG2 GLN 13 2HG GLN 13 -1.261 1.871 -12.086 111 HG3 GLN 13 1HG GLN 13 -2.094 0.338 -12.289 112 HE21 GLN 13 1HE2 GLN 13 -0.851 -1.537 -12.655 113 HE22 GLN 13 2HE2 GLN 13 0.849 -1.573 -12.350 114 H PHE 14 H PHE 14 -4.173 2.641 -12.230 115 HA PHE 14 HA PHE 14 -5.841 0.239 -12.430 116 HB2 PHE 14 2HB PHE 14 -4.644 1.772 -10.164 117 HB3 PHE 14 1HB PHE 14 -6.302 1.261 -9.868 118 HD1 PHE 14 HD1 PHE 14 -5.643 -0.246 -8.048 119 HD2 PHE 14 HD2 PHE 14 -4.021 -0.742 -11.983 120 HE1 PHE 14 HE1 PHE 14 -4.931 -2.522 -7.504 121 HE2 PHE 14 HE2 PHE 14 -3.318 -3.009 -11.408 122 HZ PHE 14 HZ PHE 14 -3.774 -3.905 -9.166 123 H LEU 15 H LEU 15 -6.036 3.723 -12.230 124 HA LEU 15 HA LEU 15 -9.009 3.588 -12.361 125 HB2 LEU 15 2HB LEU 15 -7.371 5.782 -11.054 126 HB3 LEU 15 1HB LEU 15 -9.113 5.566 -10.989 127 HG LEU 15 HG LEU 15 -7.037 3.810 -9.609 128 HD11 LEU 15 1HD1 LEU 15 -7.869 4.776 -7.553 129 HD12 LEU 15 2HD1 LEU 15 -9.001 5.801 -8.433 130 HD13 LEU 15 3HD1 LEU 15 -7.260 6.031 -8.621 131 HD21 LEU 15 1HD2 LEU 15 -8.992 2.450 -10.237 132 HD22 LEU 15 2HD2 LEU 15 -10.084 3.613 -9.480 133 HD23 LEU 15 3HD2 LEU 15 -8.939 2.699 -8.494 134 H ASP 16 H ASP 16 -6.675 3.940 -14.401 135 HA ASP 16 HA ASP 16 -6.463 4.874 -16.456 136 HB2 ASP 16 2HB ASP 16 -9.098 4.714 -16.305 137 HB3 ASP 16 1HB ASP 16 -9.044 6.441 -16.036 138 H GLY 17 H GLY 17 -5.687 6.295 -13.857 139 HA2 GLY 17 2HA GLY 17 -4.177 8.109 -13.702 140 HA3 GLY 17 1HA GLY 17 -4.998 8.919 -15.021 141 H GLU 18 H GLU 18 -7.430 7.792 -13.088 142 HA GLU 18 HA GLU 18 -7.879 10.465 -11.944 143 HB2 GLU 18 2HB GLU 18 -10.145 9.988 -12.064 144 HB3 GLU 18 1HB GLU 18 -9.615 8.764 -13.216 145 HG2 GLU 18 2HG GLU 18 -9.578 7.122 -11.284 146 HG3 GLU 18 1HG GLU 18 -10.359 8.352 -10.301 147 H LYS 19 H LYS 19 -7.924 10.895 -9.742 148 HA LYS 19 HA LYS 19 -7.600 8.614 -7.871 149 HB2 LYS 19 2HB LYS 19 -7.230 11.569 -7.290 150 HB3 LYS 19 1HB LYS 19 -6.947 10.229 -6.183 151 HG2 LYS 19 2HG LYS 19 -5.240 9.456 -8.058 152 HG3 LYS 19 1HG LYS 19 -5.294 11.163 -8.505 153 HD2 LYS 19 2HD LYS 19 -4.593 10.077 -5.745 154 HD3 LYS 19 1HD LYS 19 -3.423 10.607 -6.944 155 HE2 LYS 19 2HE LYS 19 -3.580 12.405 -5.405 156 HE3 LYS 19 1HE LYS 19 -4.545 12.928 -6.781 157 HZ1 LYS 19 1HZ LYS 19 -5.651 11.730 -4.298 158 HZ2 LYS 19 2HZ LYS 19 -6.532 12.371 -5.588 159 HZ3 LYS 19 3HZ LYS 19 -5.587 13.384 -4.632 160 H ASP 20 H ASP 20 -9.614 7.888 -7.578 161 HA ASP 20 HA ASP 20 -11.547 9.399 -6.092 162 HB2 ASP 20 2HB ASP 20 -12.067 10.283 -8.374 163 HB3 ASP 20 1HB ASP 20 -12.278 8.638 -8.968 164 H GLY 21 H GLY 21 -12.458 7.927 -4.759 165 HA2 GLY 21 2HA GLY 21 -13.419 5.935 -4.035 166 HA3 GLY 21 1HA GLY 21 -13.084 5.193 -5.595 167 H LEU 22 H LEU 22 -10.267 6.592 -4.857 168 HA LEU 22 HA LEU 22 -9.180 4.464 -3.151 169 HB2 LEU 22 2HB LEU 22 -8.768 3.902 -5.539 170 HB3 LEU 22 1HB LEU 22 -7.998 5.459 -5.768 171 HG LEU 22 HG LEU 22 -6.134 4.806 -4.305 172 HD11 LEU 22 1HD1 LEU 22 -7.548 2.141 -3.951 173 HD12 LEU 22 2HD1 LEU 22 -7.298 3.363 -2.702 174 HD13 LEU 22 3HD1 LEU 22 -5.915 2.527 -3.400 175 HD21 LEU 22 1HD2 LEU 22 -6.732 2.714 -6.427 176 HD22 LEU 22 2HD2 LEU 22 -5.152 3.056 -5.723 177 HD23 LEU 22 3HD2 LEU 22 -5.962 4.283 -6.687 178 H ASP 23 H ASP 23 -8.607 5.576 -1.461 179 HA ASP 23 HA ASP 23 -6.636 7.736 -1.634 180 HB2 ASP 23 2HB ASP 23 -9.298 7.872 -0.175 181 HB3 ASP 23 1HB ASP 23 -7.912 8.689 0.530 182 H SER 24 H SER 24 -5.779 8.167 0.583 183 HA SER 24 HA SER 24 -4.624 5.910 1.785 184 HB2 SER 24 2HB SER 24 -4.982 8.718 2.924 185 HB3 SER 24 1HB SER 24 -3.744 7.544 3.385 186 HG SER 24 HG SER 24 -2.675 7.928 1.567 187 H GLN 25 H GLN 25 -7.650 7.490 2.330 188 HA GLN 25 HA GLN 25 -8.110 6.332 4.998 189 HB2 GLN 25 2HB GLN 25 -9.610 8.432 3.385 190 HB3 GLN 25 1HB GLN 25 -10.054 7.907 5.006 191 HG2 GLN 25 2HG GLN 25 -7.994 8.812 5.930 192 HG3 GLN 25 1HG GLN 25 -7.389 9.180 4.313 193 HE21 GLN 25 1HE2 GLN 25 -9.669 10.102 6.803 194 HE22 GLN 25 2HE2 GLN 25 -10.017 11.670 6.166 195 H THR 26 H THR 26 -8.576 5.385 1.887 196 HA THR 26 HA THR 26 -11.342 4.575 1.928 197 HB THR 26 HB THR 26 -9.126 3.934 -0.051 198 HG1 THR 26 HG1 THR 26 -11.123 5.935 0.095 199 HG21 THR 26 1HG2 THR 26 -12.130 3.552 -0.328 200 HG22 THR 26 2HG2 THR 26 -10.937 2.260 -0.223 201 HG23 THR 26 3HG2 THR 26 -10.945 3.331 -1.625 202 HA PRO 27 HA PRO 27 -10.629 0.305 3.446 203 HB2 PRO 27 2HB PRO 27 -13.106 -0.696 2.841 204 HB3 PRO 27 1HB PRO 27 -12.821 0.336 4.265 205 HG2 PRO 27 2HG PRO 27 -13.978 1.085 1.599 206 HG3 PRO 27 1HG PRO 27 -14.490 1.588 3.221 207 HD2 PRO 27 2HD PRO 27 -12.958 3.164 1.597 208 HD3 PRO 27 1HD PRO 27 -12.869 3.242 3.364 209 H LEU 28 H LEU 28 -9.166 -0.561 2.000 210 HA LEU 28 HA LEU 28 -9.608 -0.530 -0.852 211 HB2 LEU 28 2HB LEU 28 -7.326 -1.879 0.647 212 HB3 LEU 28 1HB LEU 28 -7.346 -1.394 -1.042 213 HG LEU 28 HG LEU 28 -7.218 0.433 1.388 214 HD11 LEU 28 1HD1 LEU 28 -5.192 -0.039 -0.816 215 HD12 LEU 28 2HD1 LEU 28 -5.091 -0.611 0.851 216 HD13 LEU 28 3HD1 LEU 28 -5.037 1.116 0.512 217 HD21 LEU 28 1HD2 LEU 28 -7.482 1.249 -1.526 218 HD22 LEU 28 2HD2 LEU 28 -7.091 2.341 -0.197 219 HD23 LEU 28 3HD2 LEU 28 -8.652 1.530 -0.233 220 H PHE 29 H PHE 29 -10.039 -2.816 1.712 221 HA PHE 29 HA PHE 29 -10.190 -5.143 -0.019 222 HB2 PHE 29 2HB PHE 29 -9.887 -4.700 2.841 223 HB3 PHE 29 1HB PHE 29 -11.275 -5.749 2.597 224 HD1 PHE 29 HD1 PHE 29 -7.849 -5.358 1.156 225 HD2 PHE 29 HD2 PHE 29 -10.766 -8.046 2.740 226 HE1 PHE 29 HE1 PHE 29 -6.327 -7.223 0.835 227 HE2 PHE 29 HE2 PHE 29 -9.218 -9.922 2.410 228 HZ PHE 29 HZ PHE 29 -6.988 -9.514 1.447 229 H GLU 30 H GLU 30 -12.418 -3.153 1.886 230 HA GLU 30 HA GLU 30 -14.790 -4.576 1.347 231 HB2 GLU 30 2HB GLU 30 -14.665 -2.977 3.186 232 HB3 GLU 30 1HB GLU 30 -14.365 -1.652 2.071 233 HG2 GLU 30 2HG GLU 30 -16.672 -1.646 2.969 234 HG3 GLU 30 1HG GLU 30 -16.626 -1.773 1.212 235 H LEU 31 H LEU 31 -13.221 -1.913 -0.388 236 HA LEU 31 HA LEU 31 -15.351 -1.894 -2.428 237 HB2 LEU 31 2HB LEU 31 -12.903 -0.108 -2.245 238 HB3 LEU 31 1HB LEU 31 -14.279 0.102 -3.317 239 HG LEU 31 HG LEU 31 -14.181 0.520 -0.313 240 HD11 LEU 31 1HD1 LEU 31 -13.396 2.383 -1.691 241 HD12 LEU 31 2HD1 LEU 31 -14.871 2.792 -0.823 242 HD13 LEU 31 3HD1 LEU 31 -14.940 2.420 -2.548 243 HD21 LEU 31 1HD2 LEU 31 -16.611 1.008 -0.360 244 HD22 LEU 31 2HD2 LEU 31 -16.273 -0.674 -0.752 245 HD23 LEU 31 3HD2 LEU 31 -16.692 0.462 -2.036 246 H ASN 32 H ASN 32 -12.215 -3.193 -1.860 247 HA ASN 32 HA ASN 32 -10.853 -4.590 -3.004 248 HB2 ASN 32 2HB ASN 32 -13.041 -5.821 -3.312 249 HB3 ASN 32 1HB ASN 32 -13.259 -4.997 -4.847 250 HD21 ASN 32 1HD2 ASN 32 -11.323 -7.382 -3.120 251 HD22 ASN 32 2HD2 ASN 32 -10.702 -8.168 -4.526 252 H ILE 33 H ILE 33 -10.737 -1.792 -3.604 253 HA ILE 33 HA ILE 33 -10.680 -1.199 -6.382 254 HB ILE 33 HB ILE 33 -9.204 0.241 -4.139 255 HG12 ILE 33 2HG1 ILE 33 -11.637 0.128 -3.681 256 HG13 ILE 33 1HG1 ILE 33 -11.159 1.780 -4.055 257 HG21 ILE 33 1HG2 ILE 33 -8.305 0.887 -6.320 258 HG22 ILE 33 2HG2 ILE 33 -9.254 2.225 -5.672 259 HG23 ILE 33 3HG2 ILE 33 -9.930 1.196 -6.935 260 HD11 ILE 33 1HD1 ILE 33 -12.041 1.502 -6.335 261 HD12 ILE 33 2HD1 ILE 33 -13.267 1.244 -5.097 262 HD13 ILE 33 3HD1 ILE 33 -12.554 -0.139 -5.926 263 H VAL 34 H VAL 34 -8.019 -1.797 -4.069 264 HA VAL 34 HA VAL 34 -6.090 -1.996 -6.246 265 HB VAL 34 HB VAL 34 -5.470 -0.811 -4.125 266 HG11 VAL 34 1HG1 VAL 34 -5.414 -3.573 -2.838 267 HG12 VAL 34 2HG1 VAL 34 -6.565 -2.286 -2.464 268 HG13 VAL 34 3HG1 VAL 34 -4.853 -2.074 -2.092 269 HG21 VAL 34 1HG2 VAL 34 -3.698 -3.178 -4.860 270 HG22 VAL 34 2HG2 VAL 34 -3.165 -1.756 -3.961 271 HG23 VAL 34 3HG2 VAL 34 -3.705 -1.591 -5.632 272 H ASP 35 H ASP 35 -4.980 -3.876 -6.807 273 HA ASP 35 HA ASP 35 -6.230 -6.440 -6.116 274 HB2 ASP 35 2HB ASP 35 -5.916 -5.772 -8.531 275 HB3 ASP 35 1HB ASP 35 -4.185 -5.773 -8.298 276 H SER 36 H SER 36 -4.736 -8.263 -5.942 277 HA SER 36 HA SER 36 -2.995 -8.030 -3.728 278 HB2 SER 36 2HB SER 36 -4.375 -10.067 -4.524 279 HB3 SER 36 1HB SER 36 -3.096 -10.366 -5.688 280 H ALA 37 H ALA 37 -2.450 -8.343 -7.245 281 HA ALA 37 HA ALA 37 0.377 -8.697 -7.170 282 HB1 ALA 37 1HB ALA 37 0.298 -8.247 -9.586 283 HB2 ALA 37 2HB ALA 37 -1.350 -7.627 -9.430 284 HB3 ALA 37 3HB ALA 37 -1.006 -9.327 -9.100 285 H ALA 38 H ALA 38 -1.610 -5.791 -7.093 286 HA ALA 38 HA ALA 38 0.512 -3.932 -7.795 287 HB1 ALA 38 1HB ALA 38 -2.258 -3.386 -6.690 288 HB2 ALA 38 2HB ALA 38 -1.805 -3.400 -8.391 289 HB3 ALA 38 3HB ALA 38 -1.141 -2.166 -7.321 290 H ILE 39 H ILE 39 -0.554 -5.497 -4.934 291 HA ILE 39 HA ILE 39 0.090 -3.688 -2.910 292 HB ILE 39 HB ILE 39 0.315 -6.724 -2.935 293 HG12 ILE 39 2HG1 ILE 39 -1.957 -5.968 -3.306 294 HG13 ILE 39 1HG1 ILE 39 -1.857 -6.601 -1.670 295 HG21 ILE 39 1HG2 ILE 39 0.491 -4.904 -0.502 296 HG22 ILE 39 2HG2 ILE 39 1.772 -5.944 -1.132 297 HG23 ILE 39 3HG2 ILE 39 0.313 -6.658 -0.439 298 HD11 ILE 39 1HD1 ILE 39 -1.897 -3.686 -2.455 299 HD12 ILE 39 2HD1 ILE 39 -1.773 -4.304 -0.806 300 HD13 ILE 39 3HD1 ILE 39 -3.223 -4.613 -1.755 301 H PHE 40 H PHE 40 2.193 -5.968 -4.680 302 HA PHE 40 HA PHE 40 4.601 -5.680 -3.325 303 HB2 PHE 40 2HB PHE 40 4.213 -7.300 -5.171 304 HB3 PHE 40 1HB PHE 40 4.200 -5.988 -6.338 305 HD1 PHE 40 HD1 PHE 40 6.392 -7.583 -3.740 306 HD2 PHE 40 HD2 PHE 40 6.245 -5.388 -7.418 307 HE1 PHE 40 HE1 PHE 40 8.825 -7.805 -3.977 308 HE2 PHE 40 HE2 PHE 40 8.682 -5.622 -7.646 309 HZ PHE 40 HZ PHE 40 9.974 -6.827 -5.924 310 H ASP 41 H ASP 41 3.165 -3.530 -5.735 311 HA ASP 41 HA ASP 41 5.405 -1.788 -6.088 312 HB2 ASP 41 2HB ASP 41 3.619 -2.000 -7.799 313 HB3 ASP 41 1HB ASP 41 2.442 -1.334 -6.672 314 H LEU 42 H LEU 42 2.380 -1.574 -4.199 315 HA LEU 42 HA LEU 42 2.803 0.924 -2.963 316 HB2 LEU 42 2HB LEU 42 1.270 -1.483 -1.903 317 HB3 LEU 42 1HB LEU 42 1.137 0.149 -1.268 318 HG LEU 42 HG LEU 42 0.283 -0.764 -4.048 319 HD11 LEU 42 1HD1 LEU 42 -2.004 -0.314 -3.291 320 HD12 LEU 42 2HD1 LEU 42 -1.411 0.077 -1.676 321 HD13 LEU 42 3HD1 LEU 42 -1.234 -1.561 -2.311 322 HD21 LEU 42 1HD2 LEU 42 -0.631 1.519 -4.350 323 HD22 LEU 42 2HD2 LEU 42 1.119 1.538 -4.166 324 HD23 LEU 42 3HD2 LEU 42 0.088 2.017 -2.815 325 H VAL 43 H VAL 43 3.835 -2.304 -2.093 326 HA VAL 43 HA VAL 43 4.947 -1.881 0.446 327 HB VAL 43 HB VAL 43 5.797 -3.849 -1.718 328 HG11 VAL 43 1HG1 VAL 43 7.624 -3.536 -0.123 329 HG12 VAL 43 2HG1 VAL 43 6.914 -5.132 0.073 330 HG13 VAL 43 3HG1 VAL 43 6.530 -3.851 1.224 331 HG21 VAL 43 1HG2 VAL 43 4.148 -4.435 0.730 332 HG22 VAL 43 2HG2 VAL 43 4.481 -5.506 -0.623 333 HG23 VAL 43 3HG2 VAL 43 3.449 -4.100 -0.846 334 H ASP 44 H ASP 44 6.399 -1.761 -2.831 335 HA ASP 44 HA ASP 44 9.076 -1.315 -2.116 336 HB2 ASP 44 2HB ASP 44 8.220 -1.868 -4.434 337 HB3 ASP 44 1HB ASP 44 7.683 -0.218 -4.598 338 H PHE 45 H PHE 45 6.401 0.913 -2.568 339 HA PHE 45 HA PHE 45 7.854 3.310 -2.500 340 HB2 PHE 45 2HB PHE 45 5.480 3.043 -3.323 341 HB3 PHE 45 1HB PHE 45 4.952 2.875 -1.655 342 HD1 PHE 45 HD1 PHE 45 6.155 5.223 -4.226 343 HD2 PHE 45 HD2 PHE 45 4.933 4.859 -0.136 344 HE1 PHE 45 HE1 PHE 45 5.954 7.658 -4.056 345 HE2 PHE 45 HE2 PHE 45 4.735 7.302 0.014 346 HZ PHE 45 HZ PHE 45 5.248 8.703 -1.943 347 H LEU 46 H LEU 46 6.172 1.429 0.008 348 HA LEU 46 HA LEU 46 6.752 3.112 2.229 349 HB2 LEU 46 2HB LEU 46 6.111 0.140 2.155 350 HB3 LEU 46 1HB LEU 46 6.086 1.140 3.598 351 HG LEU 46 HG LEU 46 4.236 1.478 1.196 352 HD11 LEU 46 1HD1 LEU 46 2.448 0.613 2.602 353 HD12 LEU 46 2HD1 LEU 46 3.583 0.336 3.923 354 HD13 LEU 46 3HD1 LEU 46 3.736 -0.579 2.422 355 HD21 LEU 46 1HD2 LEU 46 4.624 3.637 2.290 356 HD22 LEU 46 2HD2 LEU 46 4.203 2.950 3.859 357 HD23 LEU 46 3HD2 LEU 46 2.977 3.083 2.598 358 H ARG 47 H ARG 47 8.544 0.515 0.654 359 HA ARG 47 HA ARG 47 10.502 0.034 2.687 360 HB2 ARG 47 2HB ARG 47 10.601 -0.410 -0.332 361 HB3 ARG 47 1HB ARG 47 11.844 -0.981 0.778 362 HG2 ARG 47 2HG ARG 47 10.295 -2.511 1.821 363 HG3 ARG 47 1HG ARG 47 8.942 -1.850 0.900 364 HD2 ARG 47 2HD ARG 47 9.618 -3.948 -0.102 365 HD3 ARG 47 1HD ARG 47 10.044 -2.643 -1.210 366 HE ARG 47 HE ARG 47 11.909 -4.220 0.456 367 HH11 ARG 47 1HH1 ARG 47 11.455 -2.017 -2.261 368 HH12 ARG 47 2HH1 ARG 47 13.083 -2.198 -2.812 369 HH21 ARG 47 1HH2 ARG 47 14.008 -4.475 -0.335 370 HH22 ARG 47 2HH2 ARG 47 14.527 -3.584 -1.726 371 H GLN 48 H GLN 48 10.277 2.073 -0.134 372 HA GLN 48 HA GLN 48 12.820 3.199 -0.348 373 HB2 GLN 48 2HB GLN 48 11.120 3.375 -2.117 374 HB3 GLN 48 1HB GLN 48 10.062 4.296 -1.052 375 HG2 GLN 48 2HG GLN 48 11.859 6.108 -1.027 376 HG3 GLN 48 1HG GLN 48 12.664 5.209 -2.308 377 HE21 GLN 48 1HE2 GLN 48 9.155 5.612 -1.932 378 HE22 GLN 48 2HE2 GLN 48 8.942 6.538 -3.372 379 H GLU 49 H GLU 49 9.913 4.340 1.327 380 HA GLU 49 HA GLU 49 11.081 6.790 2.255 381 HB2 GLU 49 2HB GLU 49 8.441 5.409 2.883 382 HB3 GLU 49 1HB GLU 49 8.860 7.021 3.468 383 HG2 GLU 49 2HG GLU 49 8.450 6.149 0.588 384 HG3 GLU 49 1HG GLU 49 7.457 7.267 1.522 385 H SER 50 H SER 50 10.199 3.718 3.790 386 HA SER 50 HA SER 50 10.978 4.597 6.441 387 HB2 SER 50 2HB SER 50 10.215 1.813 5.489 388 HB3 SER 50 1HB SER 50 10.275 2.368 7.165 389 HG SER 50 HG SER 50 8.308 2.624 5.332 390 H LYS 51 H LYS 51 12.692 3.442 3.762 391 HA LYS 51 HA LYS 51 14.832 2.824 3.376 392 HB2 LYS 51 2HB LYS 51 15.366 3.711 6.246 393 HB3 LYS 51 1HB LYS 51 16.571 3.559 4.974 394 HG2 LYS 51 2HG LYS 51 14.305 5.584 5.084 395 HG3 LYS 51 1HG LYS 51 16.016 5.908 5.369 396 HD2 LYS 51 2HD LYS 51 16.550 5.377 3.041 397 HD3 LYS 51 1HD LYS 51 14.877 4.902 2.731 398 HE2 LYS 51 2HE LYS 51 14.191 7.276 3.268 399 HE3 LYS 51 1HE LYS 51 15.904 7.696 3.349 400 HZ1 LYS 51 1HZ LYS 51 15.021 8.200 1.189 401 HZ2 LYS 51 2HZ LYS 51 14.467 6.617 0.995 402 HZ3 LYS 51 3HZ LYS 51 16.126 6.927 1.053 403 H VAL 52 H VAL 52 13.112 0.764 4.049 404 HA VAL 52 HA VAL 52 14.801 -1.163 5.534 405 HB VAL 52 HB VAL 52 13.003 -0.236 7.056 406 HG11 VAL 52 1HG1 VAL 52 11.034 -1.600 5.170 407 HG12 VAL 52 2HG1 VAL 52 11.213 0.140 5.389 408 HG13 VAL 52 3HG1 VAL 52 10.629 -0.858 6.723 409 HG21 VAL 52 1HG2 VAL 52 12.746 -3.211 6.451 410 HG22 VAL 52 2HG2 VAL 52 12.233 -2.426 7.946 411 HG23 VAL 52 3HG2 VAL 52 13.944 -2.467 7.514 412 H SER 53 H SER 53 14.617 -3.294 4.840 413 HA SER 53 HA SER 53 13.047 -3.842 2.394 414 HB2 SER 53 2HB SER 53 14.565 -5.864 2.195 415 HB3 SER 53 1HB SER 53 15.409 -4.319 2.105 416 HG SER 53 HG SER 53 16.104 -6.215 3.593 417 H ILE 54 H ILE 54 11.825 -5.795 2.310 418 HA ILE 54 HA ILE 54 10.817 -6.826 4.894 419 HB ILE 54 HB ILE 54 9.367 -4.970 4.138 420 HG12 ILE 54 2HG1 ILE 54 8.029 -7.702 3.812 421 HG13 ILE 54 1HG1 ILE 54 8.202 -6.801 5.312 422 HG21 ILE 54 1HG2 ILE 54 8.159 -5.038 2.013 423 HG22 ILE 54 2HG2 ILE 54 8.953 -6.548 1.577 424 HG23 ILE 54 3HG2 ILE 54 9.901 -5.068 1.737 425 HD11 ILE 54 1HD1 ILE 54 6.519 -5.992 2.940 426 HD12 ILE 54 2HD1 ILE 54 6.668 -5.093 4.454 427 HD13 ILE 54 3HD1 ILE 54 5.939 -6.700 4.444 428 H GLY 55 H GLY 55 9.913 -8.954 4.793 429 HA2 GLY 55 2HA GLY 55 10.741 -10.693 2.651 430 HA3 GLY 55 1HA GLY 55 9.772 -11.141 4.046 431 H MET 56 H MET 56 9.477 -11.744 1.107 432 HA MET 56 HA MET 56 7.183 -10.468 0.031 433 HB2 MET 56 2HB MET 56 8.385 -13.211 -0.498 434 HB3 MET 56 1HB MET 56 7.013 -12.585 -1.406 435 HG2 MET 56 2HG MET 56 9.757 -11.307 -1.300 436 HG3 MET 56 1HG MET 56 9.145 -12.312 -2.614 437 HE1 MET 56 1HE MET 56 6.193 -10.009 -3.982 438 HE2 MET 56 2HE MET 56 6.034 -11.247 -2.737 439 HE3 MET 56 3HE MET 56 7.014 -11.560 -4.173 440 H GLN 57 H GLN 57 7.521 -12.919 2.467 441 HA GLN 57 HA GLN 57 4.894 -14.040 2.346 442 HB2 GLN 57 2HB GLN 57 6.987 -14.030 4.559 443 HB3 GLN 57 1HB GLN 57 5.503 -14.982 4.618 444 HG2 GLN 57 2HG GLN 57 6.195 -16.265 2.664 445 HG3 GLN 57 1HG GLN 57 7.620 -15.247 2.459 446 HE21 GLN 57 1HE2 GLN 57 9.003 -17.029 2.572 447 HE22 GLN 57 2HE2 GLN 57 9.323 -17.862 4.055 448 H GLU 58 H GLU 58 6.138 -11.087 3.697 449 HA GLU 58 HA GLU 58 3.753 -10.590 5.352 450 HB2 GLU 58 2HB GLU 58 6.072 -8.723 4.707 451 HB3 GLU 58 1HB GLU 58 4.839 -8.471 5.941 452 HG2 GLU 58 2HG GLU 58 7.013 -10.573 5.919 453 HG3 GLU 58 1HG GLU 58 6.910 -9.161 6.970 454 H ILE 59 H ILE 59 5.119 -9.791 2.216 455 HA ILE 59 HA ILE 59 3.320 -7.709 1.479 456 HB ILE 59 HB ILE 59 4.868 -9.604 -0.348 457 HG12 ILE 59 2HG1 ILE 59 5.633 -6.848 0.735 458 HG13 ILE 59 1HG1 ILE 59 6.390 -8.376 1.173 459 HG21 ILE 59 1HG2 ILE 59 3.051 -8.507 -1.574 460 HG22 ILE 59 2HG2 ILE 59 4.596 -7.818 -2.080 461 HG23 ILE 59 3HG2 ILE 59 3.547 -6.926 -0.966 462 HD11 ILE 59 1HD1 ILE 59 7.201 -8.606 -1.139 463 HD12 ILE 59 2HD1 ILE 59 7.777 -7.135 -0.355 464 HD13 ILE 59 3HD1 ILE 59 6.465 -7.048 -1.532 465 H HIS 60 H HIS 60 1.309 -8.632 2.223 466 HA HIS 60 HA HIS 60 -0.083 -9.814 -0.048 467 HB2 HIS 60 2HB HIS 60 -1.486 -11.249 1.518 468 HB3 HIS 60 1HB HIS 60 0.163 -11.804 1.271 469 HD1 HIS 60 HD1 HIS 60 1.682 -11.934 3.291 470 HD2 HIS 60 HD2 HIS 60 -1.995 -10.204 4.108 471 HE1 HIS 60 HE1 HIS 60 1.568 -11.771 5.793 472 HE2 HIS 60 HE2 HIS 60 -0.768 -10.941 6.267 473 HA PRO 61 HA PRO 61 -2.731 -6.393 0.598 474 HB2 PRO 61 2HB PRO 61 -5.199 -7.303 -0.276 475 HB3 PRO 61 1HB PRO 61 -3.838 -6.976 -1.368 476 HG2 PRO 61 2HG PRO 61 -4.738 -9.601 -0.222 477 HG3 PRO 61 1HG PRO 61 -4.278 -9.200 -1.895 478 HD2 PRO 61 2HD PRO 61 -2.548 -10.419 -0.219 479 HD3 PRO 61 1HD PRO 61 -1.985 -9.233 -1.415 480 H ALA 62 H ALA 62 -3.477 -9.271 2.439 481 HA ALA 62 HA ALA 62 -5.670 -8.317 3.972 482 HB1 ALA 62 1HB ALA 62 -5.127 -10.093 5.581 483 HB2 ALA 62 2HB ALA 62 -3.549 -10.317 4.826 484 HB3 ALA 62 3HB ALA 62 -5.016 -10.700 3.927 485 H ASN 63 H ASN 63 -2.213 -7.703 4.213 486 HA ASN 63 HA ASN 63 -2.421 -6.219 6.735 487 HB2 ASN 63 2HB ASN 63 -0.095 -6.583 4.799 488 HB3 ASN 63 1HB ASN 63 0.009 -5.680 6.308 489 HD21 ASN 63 1HD2 ASN 63 1.590 -7.935 5.549 490 HD22 ASN 63 2HD2 ASN 63 1.286 -9.183 6.706 491 H PHE 64 H PHE 64 -2.474 -5.673 3.318 492 HA PHE 64 HA PHE 64 -2.229 -2.743 3.536 493 HB2 PHE 64 2HB PHE 64 -2.033 -4.683 1.176 494 HB3 PHE 64 1HB PHE 64 -2.020 -2.930 0.990 495 HD1 PHE 64 HD1 PHE 64 -0.227 -5.653 2.858 496 HD2 PHE 64 HD2 PHE 64 0.073 -1.845 0.929 497 HE1 PHE 64 HE1 PHE 64 2.187 -5.658 3.216 498 HE2 PHE 64 HE2 PHE 64 2.498 -1.848 1.320 499 HZ PHE 64 HZ PHE 64 3.558 -3.765 2.453 500 H ALA 65 H ALA 65 -4.590 -4.300 4.380 501 HA ALA 65 HA ALA 65 -6.744 -4.218 2.558 502 HB1 ALA 65 1HB ALA 65 -6.813 -4.117 5.597 503 HB2 ALA 65 2HB ALA 65 -6.731 -5.583 4.620 504 HB3 ALA 65 3HB ALA 65 -8.164 -4.555 4.542 505 H THR 66 H THR 66 -5.353 -1.806 4.685 506 HA THR 66 HA THR 66 -6.675 0.310 3.153 507 HB THR 66 HB THR 66 -6.911 1.773 5.206 508 HG1 THR 66 HG1 THR 66 -7.037 0.443 7.251 509 HG21 THR 66 1HG2 THR 66 -8.955 0.669 4.378 510 HG22 THR 66 2HG2 THR 66 -8.983 0.800 6.137 511 HG23 THR 66 3HG2 THR 66 -8.609 -0.748 5.372 512 H VAL 67 H VAL 67 -5.362 2.386 3.405 513 HA VAL 67 HA VAL 67 -2.539 1.867 3.417 514 HB VAL 67 HB VAL 67 -4.001 4.535 3.397 515 HG11 VAL 67 1HG1 VAL 67 -1.076 3.960 2.771 516 HG12 VAL 67 2HG1 VAL 67 -1.687 4.868 4.156 517 HG13 VAL 67 3HG1 VAL 67 -1.888 5.509 2.525 518 HG21 VAL 67 1HG2 VAL 67 -3.591 4.511 0.947 519 HG22 VAL 67 2HG2 VAL 67 -4.572 3.131 1.443 520 HG23 VAL 67 3HG2 VAL 67 -2.858 2.910 1.080 521 H GLN 68 H GLN 68 -4.834 2.919 5.803 522 HA GLN 68 HA GLN 68 -3.121 3.820 7.837 523 HB2 GLN 68 2HB GLN 68 -5.577 4.131 7.877 524 HB3 GLN 68 1HB GLN 68 -5.806 2.396 8.066 525 HG2 GLN 68 2HG GLN 68 -6.112 3.522 10.208 526 HG3 GLN 68 1HG GLN 68 -4.681 2.492 10.271 527 HE21 GLN 68 1HE2 GLN 68 -5.833 5.788 10.165 528 HE22 GLN 68 2HE2 GLN 68 -4.359 6.539 10.654 529 H SER 69 H SER 69 -4.425 0.575 7.179 530 HA SER 69 HA SER 69 -3.136 -0.814 9.270 531 HB2 SER 69 2HB SER 69 -4.117 -1.897 6.591 532 HB3 SER 69 1HB SER 69 -3.753 -2.865 8.024 533 HG SER 69 HG SER 69 -6.006 -1.565 7.379 534 H MET 70 H MET 70 -2.153 -0.013 5.936 535 HA MET 70 HA MET 70 -0.019 -1.939 5.836 536 HB2 MET 70 2HB MET 70 0.302 -1.332 3.605 537 HB3 MET 70 1HB MET 70 -1.407 -0.984 3.842 538 HG2 MET 70 2HG MET 70 -0.946 1.388 3.951 539 HG3 MET 70 1HG MET 70 0.789 1.103 3.926 540 HE1 MET 70 1HE MET 70 -2.554 1.022 1.738 541 HE2 MET 70 2HE MET 70 -2.041 -0.669 1.776 542 HE3 MET 70 3HE MET 70 -1.947 0.248 0.274 543 H VAL 71 H VAL 71 -0.198 1.570 6.485 544 HA VAL 71 HA VAL 71 2.625 2.013 6.423 545 HB VAL 71 HB VAL 71 0.983 3.878 6.129 546 HG11 VAL 71 1HG1 VAL 71 -0.669 3.303 7.848 547 HG12 VAL 71 2HG1 VAL 71 -0.103 4.962 8.056 548 HG13 VAL 71 3HG1 VAL 71 0.497 3.682 9.115 549 HG21 VAL 71 1HG2 VAL 71 2.280 5.595 7.355 550 HG22 VAL 71 2HG2 VAL 71 3.345 4.378 6.650 551 HG23 VAL 71 3HG2 VAL 71 2.986 4.335 8.376 552 H ALA 72 H ALA 72 0.298 1.205 8.932 553 HA ALA 72 HA ALA 72 2.055 1.552 11.171 554 HB1 ALA 72 1HB ALA 72 -0.629 0.147 10.981 555 HB2 ALA 72 2HB ALA 72 -0.369 1.849 11.367 556 HB3 ALA 72 3HB ALA 72 0.202 0.600 12.478 557 H LEU 73 H LEU 73 1.206 -1.134 9.071 558 HA LEU 73 HA LEU 73 2.275 -3.326 10.461 559 HB2 LEU 73 2HB LEU 73 1.098 -4.017 8.574 560 HB3 LEU 73 1HB LEU 73 1.576 -2.616 7.640 561 HG LEU 73 HG LEU 73 3.897 -3.756 7.468 562 HD11 LEU 73 1HD1 LEU 73 3.921 -6.211 7.546 563 HD12 LEU 73 2HD1 LEU 73 2.300 -6.202 8.246 564 HD13 LEU 73 3HD1 LEU 73 3.649 -5.482 9.131 565 HD21 LEU 73 1HD2 LEU 73 1.551 -4.905 5.959 566 HD22 LEU 73 2HD2 LEU 73 3.240 -4.972 5.456 567 HD23 LEU 73 3HD2 LEU 73 2.418 -3.417 5.583 568 H VAL 74 H VAL 74 3.693 -1.031 8.150 569 HA VAL 74 HA VAL 74 6.312 -2.087 8.127 570 HB VAL 74 HB VAL 74 5.422 0.758 7.462 571 HG11 VAL 74 1HG1 VAL 74 8.008 -0.682 6.722 572 HG12 VAL 74 2HG1 VAL 74 7.858 0.664 7.851 573 HG13 VAL 74 3HG1 VAL 74 7.526 0.913 6.138 574 HG21 VAL 74 1HG2 VAL 74 4.250 -0.933 6.089 575 HG22 VAL 74 2HG2 VAL 74 5.794 -1.637 5.610 576 HG23 VAL 74 3HG2 VAL 74 5.377 0.001 5.103 577 H GLN 75 H GLN 75 4.765 0.489 10.052 578 HA GLN 75 HA GLN 75 7.043 1.440 11.446 579 HB2 GLN 75 2HB GLN 75 4.137 1.315 12.388 580 HB3 GLN 75 1HB GLN 75 5.407 2.278 13.140 581 HG2 GLN 75 2HG GLN 75 5.590 3.676 11.150 582 HG3 GLN 75 1HG GLN 75 4.437 2.656 10.294 583 HE21 GLN 75 1HE2 GLN 75 4.305 5.526 10.870 584 HE22 GLN 75 2HE2 GLN 75 2.829 5.770 11.737 585 H ARG 76 H ARG 76 5.119 -1.456 11.910 586 HA ARG 76 HA ARG 76 6.012 -2.018 14.596 587 HB2 ARG 76 2HB ARG 76 4.429 -3.622 12.568 588 HB3 ARG 76 1HB ARG 76 4.898 -4.300 14.130 589 HG2 ARG 76 2HG ARG 76 3.646 -2.555 15.305 590 HG3 ARG 76 1HG ARG 76 3.236 -1.779 13.772 591 HD2 ARG 76 2HD ARG 76 1.925 -3.751 13.110 592 HD3 ARG 76 1HD ARG 76 2.378 -4.570 14.612 593 HE ARG 76 HE ARG 76 1.146 -2.064 15.157 594 HH11 ARG 76 1HH1 ARG 76 0.292 -5.331 14.186 595 HH12 ARG 76 2HH1 ARG 76 -1.304 -5.226 14.848 596 HH21 ARG 76 1HH2 ARG 76 -0.946 -1.957 16.007 597 HH22 ARG 76 2HH2 ARG 76 -2.005 -3.325 15.871 598 H LEU 77 H LEU 77 6.852 -3.256 11.312 599 HA LEU 77 HA LEU 77 8.942 -4.974 12.348 600 HB2 LEU 77 2HB LEU 77 9.639 -5.292 9.970 601 HB3 LEU 77 1HB LEU 77 7.964 -5.675 10.293 602 HG LEU 77 HG LEU 77 7.424 -3.331 9.306 603 HD11 LEU 77 1HD1 LEU 77 8.999 -2.469 7.609 604 HD12 LEU 77 2HD1 LEU 77 10.228 -3.603 8.176 605 HD13 LEU 77 3HD1 LEU 77 9.629 -2.336 9.253 606 HD21 LEU 77 1HD2 LEU 77 8.417 -5.548 7.490 607 HD22 LEU 77 2HD2 LEU 77 7.347 -4.225 7.014 608 HD23 LEU 77 3HD2 LEU 77 6.807 -5.406 8.205 609 H LYS 78 H LYS 78 8.707 -1.623 11.570 610 HA LYS 78 HA LYS 78 11.483 -0.959 11.391 611 HB2 LYS 78 2HB LYS 78 9.015 0.678 12.060 612 HB3 LYS 78 1HB LYS 78 10.619 1.389 12.043 613 HG2 LYS 78 2HG LYS 78 9.234 0.096 9.676 614 HG3 LYS 78 1HG LYS 78 9.385 1.828 9.960 615 HD2 LYS 78 2HD LYS 78 11.761 -0.048 9.598 616 HD3 LYS 78 1HD LYS 78 11.032 0.876 8.287 617 HE2 LYS 78 2HE LYS 78 12.915 2.149 8.972 618 HE3 LYS 78 1HE LYS 78 11.528 2.973 9.681 619 HZ1 LYS 78 1HZ LYS 78 12.041 2.065 11.787 620 HZ2 LYS 78 2HZ LYS 78 13.465 2.712 11.162 621 HZ3 LYS 78 3HZ LYS 78 13.226 1.042 11.151 622 H ALA 79 H ALA 79 9.197 -1.363 14.029 623 HA ALA 79 HA ALA 79 10.708 -0.267 16.145 624 HB1 ALA 79 1HB ALA 79 9.229 -1.571 17.633 625 HB2 ALA 79 2HB ALA 79 8.649 -2.498 16.245 626 HB3 ALA 79 3HB ALA 79 8.305 -0.772 16.358 627 H HIS 80 H HIS 80 10.885 -3.283 14.436 628 HA HIS 80 HA HIS 80 12.842 -4.485 16.263 629 HB2 HIS 80 2HB HIS 80 11.625 -5.543 13.676 630 HB3 HIS 80 1HB HIS 80 12.706 -6.448 14.738 631 HD1 HIS 80 HD1 HIS 80 9.206 -5.156 14.484 632 HD2 HIS 80 HD2 HIS 80 11.468 -7.523 17.026 633 HE1 HIS 80 HE1 HIS 80 7.560 -6.196 16.059 634 HE2 HIS 80 HE2 HIS 80 8.967 -7.550 17.649 635 HA PRO 81 HA PRO 81 16.439 -3.158 13.860 636 HB2 PRO 81 2HB PRO 81 17.564 -5.913 14.319 637 HB3 PRO 81 1HB PRO 81 18.225 -4.337 14.801 638 HG2 PRO 81 2HG PRO 81 17.180 -5.967 16.628 639 HG3 PRO 81 1HG PRO 81 16.929 -4.209 16.722 640 HD2 PRO 81 2HD PRO 81 15.009 -6.330 15.735 641 HD3 PRO 81 1HD PRO 81 14.704 -4.927 16.789 642 H GLU 82 H GLU 82 15.253 -6.447 13.280 643 HA GLU 82 HA GLU 82 15.011 -6.056 10.416 644 HB2 GLU 82 2HB GLU 82 17.399 -6.753 10.669 645 HB3 GLU 82 1HB GLU 82 16.887 -8.197 11.536 646 HG2 GLU 82 2HG GLU 82 15.681 -8.959 9.473 647 HG3 GLU 82 1HG GLU 82 16.303 -7.539 8.629 648 H GLN 83 H GLN 83 13.010 -6.884 10.038 649 HA GLN 83 HA GLN 83 12.165 -9.428 11.171 650 HB2 GLN 83 2HB GLN 83 11.687 -7.686 12.945 651 HB3 GLN 83 1HB GLN 83 10.601 -6.884 11.821 652 HG2 GLN 83 2HG GLN 83 9.398 -8.235 13.470 653 HG3 GLN 83 1HG GLN 83 9.114 -8.826 11.829 654 HE21 GLN 83 1HE2 GLN 83 8.529 -10.900 12.513 655 HE22 GLN 83 2HE2 GLN 83 9.654 -12.025 13.193 656 H GLY 84 H GLY 84 10.501 -10.380 10.064 657 HA2 GLY 84 2HA GLY 84 8.587 -9.447 8.388 658 HA3 GLY 84 1HA GLY 84 10.023 -9.483 7.363 659 H GLY 85 H GLY 85 8.886 -11.080 6.096 660 HA2 GLY 85 2HA GLY 85 8.327 -13.711 7.160 661 HA3 GLY 85 1HA GLY 85 8.262 -13.204 5.476 662 H ALA 86 H ALA 86 10.356 -14.345 8.046 663 HA ALA 86 HA ALA 86 12.793 -14.359 6.517 664 HB1 ALA 86 1HB ALA 86 13.765 -15.528 8.459 665 HB2 ALA 86 2HB ALA 86 12.155 -15.732 9.155 666 HB3 ALA 86 3HB ALA 86 12.832 -14.115 8.964 667 H ALA 87 H ALA 87 12.521 -15.549 4.675 668 HA ALA 87 HA ALA 87 11.469 -18.249 4.639 669 HB1 ALA 87 1HB ALA 87 11.046 -16.750 2.740 670 HB2 ALA 87 2HB ALA 87 11.957 -18.168 2.216 671 HB3 ALA 87 3HB ALA 87 12.778 -16.619 2.432 672 H LEU 88 H LEU 88 12.661 -20.116 4.146 673 HA LEU 88 HA LEU 88 15.303 -20.304 5.222 674 HB2 LEU 88 2HB LEU 88 13.469 -22.076 5.291 675 HB3 LEU 88 1HB LEU 88 13.787 -22.380 3.591 676 HG LEU 88 HG LEU 88 16.160 -23.012 4.212 677 HD11 LEU 88 1HD1 LEU 88 16.703 -23.528 6.552 678 HD12 LEU 88 2HD1 LEU 88 15.155 -22.861 7.074 679 HD13 LEU 88 3HD1 LEU 88 16.366 -21.810 6.333 680 HD21 LEU 88 1HD2 LEU 88 13.986 -24.694 5.502 681 HD22 LEU 88 2HD2 LEU 88 15.605 -25.247 5.066 682 HD23 LEU 88 3HD2 LEU 88 14.480 -24.746 3.807 683 H GLU 89 H GLU 89 17.278 -20.721 4.116 684 HA GLU 89 HA GLU 89 17.307 -20.311 1.177 685 HB2 GLU 89 2HB GLU 89 17.937 -18.193 2.228 686 HB3 GLU 89 1HB GLU 89 19.121 -19.002 3.246 687 HG2 GLU 89 2HG GLU 89 20.157 -17.742 1.369 688 HG3 GLU 89 1HG GLU 89 20.546 -19.463 1.346 689 H282 PNS 101 3H28 PNS 136 0.845 -9.519 -2.713 690 H281 PNS 101 2H28 PNS 136 0.245 -9.580 -4.363 691 H303 PNS 101 3H51 PNS 136 3.718 -11.801 -3.261 692 H302 PNS 101 2H51 PNS 136 2.893 -10.798 -2.073 693 H301 PNS 101 1H51 PNS 136 2.125 -12.280 -2.660 694 H313 PNS 101 3H52 PNS 136 2.515 -8.851 -5.199 695 H312 PNS 101 2H52 PNS 136 3.961 -9.772 -4.752 696 H311 PNS 101 1H52 PNS 136 3.104 -8.807 -3.534 697 H32 PNS 101 H32 PNS 136 1.345 -12.408 -5.076 698 H33 PNS 101 H33 PNS 136 0.342 -10.583 -6.069 699 H36 PNS 101 H36 PNS 136 3.242 -10.370 -7.024 700 H372 PNS 101 3H37 PNS 136 5.037 -10.641 -8.329 701 H371 PNS 101 2H37 PNS 136 5.804 -10.574 -6.747 702 H382 PNS 101 3H38 PNS 136 5.814 -13.087 -6.698 703 H381 PNS 101 2H38 PNS 136 5.187 -13.080 -8.358 704 H41 PNS 101 H41 PNS 136 7.464 -11.192 -6.535 705 H422 PNS 101 3H42 PNS 136 9.270 -10.244 -8.236 706 H421 PNS 101 2H42 PNS 136 9.874 -11.868 -7.883 707 H431 PNS 101 2H43 PNS 136 10.800 -10.164 -6.292 708 H432 PNS 101 3H43 PNS 136 9.129 -9.782 -5.777 709 H44 PNS 101 H44 PNS 136 10.628 -12.856 -5.484 Start of MODEL 18 1 H1 MET 1 1H MET 1 -0.007 15.537 -0.259 2 H2 MET 1 2H MET 1 0.994 14.360 0.418 3 H3 MET 1 3H MET 1 -0.230 13.909 -0.653 4 HA MET 1 HA MET 1 0.805 14.981 -2.448 5 HB2 MET 1 2HB MET 1 1.761 16.874 -1.169 6 HB3 MET 1 1HB MET 1 2.956 15.801 -0.457 7 HG2 MET 1 2HG MET 1 3.996 15.455 -2.638 8 HG3 MET 1 1HG MET 1 2.739 16.423 -3.418 9 HE1 MET 1 1HE MET 1 4.663 17.967 -4.554 10 HE2 MET 1 2HE MET 1 5.930 17.034 -3.755 11 HE3 MET 1 3HE MET 1 5.912 18.792 -3.621 12 H LEU 2 H LEU 2 2.738 13.432 0.145 13 HA LEU 2 HA LEU 2 4.376 11.904 -1.643 14 HB2 LEU 2 2HB LEU 2 5.121 12.682 0.611 15 HB3 LEU 2 1HB LEU 2 3.955 11.597 1.355 16 HG LEU 2 HG LEU 2 5.192 9.659 0.235 17 HD11 LEU 2 1HD1 LEU 2 7.292 11.773 -0.335 18 HD12 LEU 2 2HD1 LEU 2 6.332 10.893 -1.528 19 HD13 LEU 2 3HD1 LEU 2 7.495 10.027 -0.528 20 HD21 LEU 2 1HD2 LEU 2 6.972 9.556 1.904 21 HD22 LEU 2 2HD2 LEU 2 5.473 10.144 2.620 22 HD23 LEU 2 3HD2 LEU 2 6.778 11.276 2.252 23 H GLU 3 H GLU 3 1.829 10.942 0.722 24 HA GLU 3 HA GLU 3 1.583 8.253 -0.191 25 HB2 GLU 3 2HB GLU 3 -0.506 9.922 1.294 26 HB3 GLU 3 1HB GLU 3 -0.600 8.185 1.038 27 HG2 GLU 3 2HG GLU 3 0.129 8.437 3.266 28 HG3 GLU 3 1HG GLU 3 1.571 7.991 2.359 29 H SER 4 H SER 4 -0.063 11.256 -0.972 30 HA SER 4 HA SER 4 -2.052 10.403 -2.723 31 HB2 SER 4 2HB SER 4 -0.417 12.966 -2.969 32 HB3 SER 4 1HB SER 4 -2.075 12.705 -3.509 33 HG SER 4 HG SER 4 -2.679 12.496 -1.323 34 H LYS 5 H LYS 5 1.409 10.722 -3.198 35 HA LYS 5 HA LYS 5 1.449 10.688 -6.068 36 HB2 LYS 5 2HB LYS 5 3.169 11.808 -4.655 37 HB3 LYS 5 1HB LYS 5 3.678 10.241 -4.038 38 HG2 LYS 5 2HG LYS 5 4.475 9.592 -6.269 39 HG3 LYS 5 1HG LYS 5 3.878 11.115 -6.942 40 HD2 LYS 5 2HD LYS 5 5.448 12.354 -5.419 41 HD3 LYS 5 1HD LYS 5 6.091 10.803 -4.869 42 HE2 LYS 5 2HE LYS 5 6.208 11.874 -7.712 43 HE3 LYS 5 1HE LYS 5 7.553 11.804 -6.570 44 HZ1 LYS 5 1HZ LYS 5 7.248 9.368 -6.529 45 HZ2 LYS 5 2HZ LYS 5 7.712 9.971 -8.032 46 HZ3 LYS 5 3HZ LYS 5 6.107 9.516 -7.770 47 H LEU 6 H LEU 6 2.080 8.246 -3.490 48 HA LEU 6 HA LEU 6 2.858 6.167 -5.291 49 HB2 LEU 6 2HB LEU 6 2.834 4.639 -3.395 50 HB3 LEU 6 1HB LEU 6 3.620 6.140 -2.969 51 HG LEU 6 HG LEU 6 1.269 6.739 -1.896 52 HD11 LEU 6 1HD1 LEU 6 1.094 3.713 -1.827 53 HD12 LEU 6 2HD1 LEU 6 -0.006 4.818 -2.655 54 HD13 LEU 6 3HD1 LEU 6 0.087 4.830 -0.899 55 HD21 LEU 6 1HD2 LEU 6 2.018 5.869 0.275 56 HD22 LEU 6 2HD2 LEU 6 3.347 6.587 -0.632 57 HD23 LEU 6 3HD2 LEU 6 3.195 4.831 -0.539 58 H ILE 7 H ILE 7 -0.226 7.142 -3.868 59 HA ILE 7 HA ILE 7 -1.830 5.026 -4.885 60 HB ILE 7 HB ILE 7 -2.602 7.931 -4.367 61 HG12 ILE 7 2HG1 ILE 7 -3.138 5.553 -2.534 62 HG13 ILE 7 1HG1 ILE 7 -1.692 6.545 -2.387 63 HG21 ILE 7 1HG2 ILE 7 -4.955 7.156 -4.291 64 HG22 ILE 7 2HG2 ILE 7 -4.440 5.520 -4.707 65 HG23 ILE 7 3HG2 ILE 7 -4.235 6.828 -5.874 66 HD11 ILE 7 1HD1 ILE 7 -4.532 7.513 -2.090 67 HD12 ILE 7 2HD1 ILE 7 -3.082 8.512 -1.952 68 HD13 ILE 7 3HD1 ILE 7 -3.377 7.217 -0.794 69 H ASN 8 H ASN 8 -1.133 8.311 -6.160 70 HA ASN 8 HA ASN 8 -2.626 8.155 -8.520 71 HB2 ASN 8 2HB ASN 8 -1.753 10.289 -7.595 72 HB3 ASN 8 1HB ASN 8 -0.112 9.810 -8.023 73 HD21 ASN 8 1HD2 ASN 8 0.533 9.902 -10.216 74 HD22 ASN 8 2HD2 ASN 8 -0.414 10.697 -11.424 75 H HIS 9 H HIS 9 0.558 6.965 -7.776 76 HA HIS 9 HA HIS 9 1.739 6.678 -10.273 77 HB2 HIS 9 2HB HIS 9 2.924 6.341 -8.130 78 HB3 HIS 9 1HB HIS 9 2.012 4.866 -7.837 79 HD1 HIS 9 HD1 HIS 9 4.965 6.185 -9.689 80 HD2 HIS 9 HD2 HIS 9 2.809 2.650 -9.450 81 HE1 HIS 9 HE1 HIS 9 6.431 4.432 -10.727 82 HE2 HIS 9 HE2 HIS 9 5.216 2.266 -10.286 83 H ILE 10 H ILE 10 0.085 4.012 -8.478 84 HA ILE 10 HA ILE 10 -0.253 2.533 -10.951 85 HB ILE 10 HB ILE 10 -1.591 0.908 -9.372 86 HG12 ILE 10 2HG1 ILE 10 -0.626 0.950 -6.998 87 HG13 ILE 10 1HG1 ILE 10 -0.095 2.588 -7.310 88 HG21 ILE 10 1HG2 ILE 10 1.425 1.168 -9.162 89 HG22 ILE 10 2HG2 ILE 10 0.520 0.333 -10.426 90 HG23 ILE 10 3HG2 ILE 10 0.482 -0.278 -8.773 91 HD11 ILE 10 1HD1 ILE 10 -2.932 1.591 -7.259 92 HD12 ILE 10 2HD1 ILE 10 -2.434 3.242 -7.641 93 HD13 ILE 10 3HD1 ILE 10 -2.121 2.575 -6.037 94 H ALA 11 H ALA 11 -2.254 4.658 -9.011 95 HA ALA 11 HA ALA 11 -4.818 4.085 -9.910 96 HB1 ALA 11 1HB ALA 11 -4.336 5.790 -8.184 97 HB2 ALA 11 2HB ALA 11 -5.398 6.417 -9.447 98 HB3 ALA 11 3HB ALA 11 -3.688 6.859 -9.426 99 H THR 12 H THR 12 -2.135 5.393 -11.703 100 HA THR 12 HA THR 12 -3.470 6.583 -13.889 101 HB THR 12 HB THR 12 -0.793 5.123 -13.927 102 HG1 THR 12 HG1 THR 12 -0.695 6.714 -12.375 103 HG21 THR 12 1HG2 THR 12 -1.599 5.638 -16.213 104 HG22 THR 12 2HG2 THR 12 -0.221 6.656 -15.790 105 HG23 THR 12 3HG2 THR 12 -1.854 7.323 -15.752 106 H GLN 13 H GLN 13 -2.437 3.233 -13.272 107 HA GLN 13 HA GLN 13 -3.707 2.274 -15.763 108 HB2 GLN 13 2HB GLN 13 -2.492 0.160 -15.357 109 HB3 GLN 13 1HB GLN 13 -1.412 1.545 -15.453 110 HG2 GLN 13 2HG GLN 13 -1.210 1.561 -12.994 111 HG3 GLN 13 1HG GLN 13 -2.284 0.165 -12.893 112 HE21 GLN 13 1HE2 GLN 13 0.521 0.463 -12.046 113 HE22 GLN 13 2HE2 GLN 13 1.392 -0.787 -12.855 114 H PHE 14 H PHE 14 -4.304 2.449 -12.411 115 HA PHE 14 HA PHE 14 -6.072 0.116 -12.300 116 HB2 PHE 14 2HB PHE 14 -4.633 1.791 -10.272 117 HB3 PHE 14 1HB PHE 14 -6.273 1.361 -9.787 118 HD1 PHE 14 HD1 PHE 14 -6.668 -0.744 -8.808 119 HD2 PHE 14 HD2 PHE 14 -3.089 -0.161 -11.078 120 HE1 PHE 14 HE1 PHE 14 -5.906 -2.982 -8.180 121 HE2 PHE 14 HE2 PHE 14 -2.344 -2.414 -10.459 122 HZ PHE 14 HZ PHE 14 -3.750 -3.837 -9.014 123 H LEU 15 H LEU 15 -6.190 3.633 -12.370 124 HA LEU 15 HA LEU 15 -9.164 3.620 -12.286 125 HB2 LEU 15 2HB LEU 15 -7.464 5.734 -10.920 126 HB3 LEU 15 1HB LEU 15 -9.202 5.516 -10.811 127 HG LEU 15 HG LEU 15 -7.089 3.710 -9.551 128 HD11 LEU 15 1HD1 LEU 15 -7.272 5.952 -8.539 129 HD12 LEU 15 2HD1 LEU 15 -7.773 4.675 -7.457 130 HD13 LEU 15 3HD1 LEU 15 -8.990 5.683 -8.230 131 HD21 LEU 15 1HD2 LEU 15 -8.960 2.609 -8.373 132 HD22 LEU 15 2HD2 LEU 15 -9.108 2.406 -10.114 133 HD23 LEU 15 3HD2 LEU 15 -10.133 3.575 -9.277 134 H ASP 16 H ASP 16 -6.815 4.127 -14.376 135 HA ASP 16 HA ASP 16 -6.691 5.228 -16.373 136 HB2 ASP 16 2HB ASP 16 -9.247 4.988 -16.281 137 HB3 ASP 16 1HB ASP 16 -9.314 6.612 -15.636 138 H GLY 17 H GLY 17 -5.787 6.457 -13.716 139 HA2 GLY 17 2HA GLY 17 -4.408 8.304 -13.299 140 HA3 GLY 17 1HA GLY 17 -5.044 9.107 -14.723 141 H GLU 18 H GLU 18 -7.378 7.773 -12.565 142 HA GLU 18 HA GLU 18 -8.011 10.438 -11.427 143 HB2 GLU 18 2HB GLU 18 -10.248 10.076 -11.789 144 HB3 GLU 18 1HB GLU 18 -9.694 8.913 -12.993 145 HG2 GLU 18 2HG GLU 18 -10.048 7.073 -11.426 146 HG3 GLU 18 1HG GLU 18 -10.477 8.202 -10.139 147 H LYS 19 H LYS 19 -8.545 10.538 -9.149 148 HA LYS 19 HA LYS 19 -7.897 8.091 -7.572 149 HB2 LYS 19 2HB LYS 19 -8.038 10.972 -6.614 150 HB3 LYS 19 1HB LYS 19 -7.621 9.564 -5.634 151 HG2 LYS 19 2HG LYS 19 -5.687 9.210 -7.359 152 HG3 LYS 19 1HG LYS 19 -5.999 10.886 -7.821 153 HD2 LYS 19 2HD LYS 19 -5.315 9.912 -5.027 154 HD3 LYS 19 1HD LYS 19 -4.200 10.722 -6.131 155 HE2 LYS 19 2HE LYS 19 -5.630 12.754 -6.065 156 HE3 LYS 19 1HE LYS 19 -6.728 11.940 -4.950 157 HZ1 LYS 19 1HZ LYS 19 -5.203 13.419 -3.831 158 HZ2 LYS 19 2HZ LYS 19 -3.879 12.541 -4.405 159 HZ3 LYS 19 3HZ LYS 19 -4.977 11.822 -3.338 160 H ASP 20 H ASP 20 -9.727 6.969 -7.325 161 HA ASP 20 HA ASP 20 -11.853 7.975 -5.709 162 HB2 ASP 20 2HB ASP 20 -12.514 8.943 -7.930 163 HB3 ASP 20 1HB ASP 20 -12.603 7.314 -8.592 164 H GLY 21 H GLY 21 -12.479 6.325 -4.499 165 HA2 GLY 21 2HA GLY 21 -13.046 4.167 -3.840 166 HA3 GLY 21 1HA GLY 21 -12.604 3.561 -5.428 167 H LEU 22 H LEU 22 -10.004 5.116 -5.121 168 HA LEU 22 HA LEU 22 -8.524 3.308 -3.318 169 HB2 LEU 22 2HB LEU 22 -8.287 2.770 -5.772 170 HB3 LEU 22 1HB LEU 22 -7.667 4.377 -6.021 171 HG LEU 22 HG LEU 22 -5.677 3.855 -4.646 172 HD11 LEU 22 1HD1 LEU 22 -6.609 2.199 -3.126 173 HD12 LEU 22 2HD1 LEU 22 -5.201 1.542 -3.951 174 HD13 LEU 22 3HD1 LEU 22 -6.822 1.055 -4.453 175 HD21 LEU 22 1HD2 LEU 22 -6.198 1.919 -6.927 176 HD22 LEU 22 2HD2 LEU 22 -4.615 2.302 -6.253 177 HD23 LEU 22 3HD2 LEU 22 -5.550 3.558 -7.056 178 H ASP 23 H ASP 23 -8.012 4.571 -1.721 179 HA ASP 23 HA ASP 23 -6.171 6.752 -2.028 180 HB2 ASP 23 2HB ASP 23 -8.122 8.162 -2.152 181 HB3 ASP 23 1HB ASP 23 -8.983 7.234 -0.935 182 H SER 24 H SER 24 -5.285 7.356 0.120 183 HA SER 24 HA SER 24 -4.283 5.142 1.417 184 HB2 SER 24 2HB SER 24 -3.427 6.863 3.084 185 HB3 SER 24 1HB SER 24 -3.128 7.281 1.395 186 HG SER 24 HG SER 24 -5.179 8.546 1.594 187 H GLN 25 H GLN 25 -6.888 7.338 2.543 188 HA GLN 25 HA GLN 25 -7.304 5.685 4.949 189 HB2 GLN 25 2HB GLN 25 -8.364 8.432 4.181 190 HB3 GLN 25 1HB GLN 25 -8.732 7.600 5.691 191 HG2 GLN 25 2HG GLN 25 -6.408 7.667 6.370 192 HG3 GLN 25 1HG GLN 25 -5.928 8.333 4.809 193 HE21 GLN 25 1HE2 GLN 25 -7.467 9.009 7.862 194 HE22 GLN 25 2HE2 GLN 25 -7.487 10.728 7.698 195 H THR 26 H THR 26 -8.455 5.783 1.878 196 HA THR 26 HA THR 26 -11.204 5.106 2.313 197 HB THR 26 HB THR 26 -9.345 4.729 -0.058 198 HG1 THR 26 HG1 THR 26 -10.079 6.881 0.630 199 HG21 THR 26 1HG2 THR 26 -11.413 4.296 -1.403 200 HG22 THR 26 2HG2 THR 26 -12.324 4.151 0.108 201 HG23 THR 26 3HG2 THR 26 -11.039 2.999 -0.265 202 HA PRO 27 HA PRO 27 -10.446 0.771 3.475 203 HB2 PRO 27 2HB PRO 27 -12.975 -0.182 3.216 204 HB3 PRO 27 1HB PRO 27 -12.507 0.868 4.578 205 HG2 PRO 27 2HG PRO 27 -13.950 1.601 2.044 206 HG3 PRO 27 1HG PRO 27 -14.300 2.106 3.708 207 HD2 PRO 27 2HD PRO 27 -12.943 3.693 1.965 208 HD3 PRO 27 1HD PRO 27 -12.630 3.729 3.710 209 H LEU 28 H LEU 28 -9.157 0.150 1.769 210 HA LEU 28 HA LEU 28 -9.885 0.203 -0.959 211 HB2 LEU 28 2HB LEU 28 -7.613 -1.363 0.316 212 HB3 LEU 28 1HB LEU 28 -7.733 -0.905 -1.378 213 HG LEU 28 HG LEU 28 -7.292 0.947 0.995 214 HD11 LEU 28 1HD1 LEU 28 -5.498 0.341 -1.370 215 HD12 LEU 28 2HD1 LEU 28 -5.281 -0.234 0.286 216 HD13 LEU 28 3HD1 LEU 28 -5.162 1.488 -0.068 217 HD21 LEU 28 1HD2 LEU 28 -8.798 2.104 -0.486 218 HD22 LEU 28 2HD2 LEU 28 -7.813 1.705 -1.895 219 HD23 LEU 28 3HD2 LEU 28 -7.190 2.805 -0.663 220 H PHE 29 H PHE 29 -9.646 -2.524 1.315 221 HA PHE 29 HA PHE 29 -10.665 -4.388 -0.704 222 HB2 PHE 29 2HB PHE 29 -9.151 -4.761 1.871 223 HB3 PHE 29 1HB PHE 29 -10.134 -6.101 1.271 224 HD1 PHE 29 HD1 PHE 29 -7.267 -3.879 0.451 225 HD2 PHE 29 HD2 PHE 29 -9.538 -7.309 -0.731 226 HE1 PHE 29 HE1 PHE 29 -5.608 -4.393 -1.269 227 HE2 PHE 29 HE2 PHE 29 -7.864 -7.820 -2.449 228 HZ PHE 29 HZ PHE 29 -5.907 -6.361 -2.730 229 H GLU 30 H GLU 30 -12.000 -2.666 1.972 230 HA GLU 30 HA GLU 30 -14.362 -4.267 2.231 231 HB2 GLU 30 2HB GLU 30 -13.866 -2.503 3.860 232 HB3 GLU 30 1HB GLU 30 -13.913 -1.280 2.598 233 HG2 GLU 30 2HG GLU 30 -15.929 -1.195 3.983 234 HG3 GLU 30 1HG GLU 30 -16.321 -1.611 2.314 235 H LEU 31 H LEU 31 -13.381 -1.623 0.091 236 HA LEU 31 HA LEU 31 -15.773 -1.848 -1.594 237 HB2 LEU 31 2HB LEU 31 -13.313 -0.090 -1.932 238 HB3 LEU 31 1HB LEU 31 -14.855 0.094 -2.761 239 HG LEU 31 HG LEU 31 -14.381 0.484 0.222 240 HD11 LEU 31 1HD1 LEU 31 -13.384 2.262 -1.125 241 HD12 LEU 31 2HD1 LEU 31 -14.723 2.845 -0.142 242 HD13 LEU 31 3HD1 LEU 31 -14.950 2.588 -1.873 243 HD21 LEU 31 1HD2 LEU 31 -16.699 1.313 0.345 244 HD22 LEU 31 2HD2 LEU 31 -16.635 -0.375 -0.151 245 HD23 LEU 31 3HD2 LEU 31 -16.956 0.882 -1.350 246 H ASN 32 H ASN 32 -12.628 -3.136 -1.390 247 HA ASN 32 HA ASN 32 -11.420 -4.660 -2.567 248 HB2 ASN 32 2HB ASN 32 -14.148 -5.207 -3.805 249 HB3 ASN 32 1HB ASN 32 -12.734 -6.193 -4.164 250 HD21 ASN 32 1HD2 ASN 32 -15.092 -5.341 -1.735 251 HD22 ASN 32 2HD2 ASN 32 -14.693 -6.600 -0.622 252 H ILE 33 H ILE 33 -11.370 -1.985 -3.557 253 HA ILE 33 HA ILE 33 -11.646 -1.832 -6.395 254 HB ILE 33 HB ILE 33 -10.186 -0.007 -4.437 255 HG12 ILE 33 2HG1 ILE 33 -12.580 -0.231 -3.909 256 HG13 ILE 33 1HG1 ILE 33 -12.271 1.375 -4.550 257 HG21 ILE 33 1HG2 ILE 33 -11.011 0.603 -7.303 258 HG22 ILE 33 2HG2 ILE 33 -9.357 0.424 -6.714 259 HG23 ILE 33 3HG2 ILE 33 -10.350 1.770 -6.154 260 HD11 ILE 33 1HD1 ILE 33 -14.333 0.488 -5.413 261 HD12 ILE 33 2HD1 ILE 33 -13.507 -0.936 -6.042 262 HD13 ILE 33 3HD1 ILE 33 -13.170 0.658 -6.725 263 H VAL 34 H VAL 34 -8.738 -1.936 -4.306 264 HA VAL 34 HA VAL 34 -7.005 -2.256 -6.654 265 HB VAL 34 HB VAL 34 -6.339 -0.669 -4.860 266 HG11 VAL 34 1HG1 VAL 34 -5.864 -3.111 -3.116 267 HG12 VAL 34 2HG1 VAL 34 -7.128 -1.899 -2.872 268 HG13 VAL 34 3HG1 VAL 34 -5.429 -1.445 -2.707 269 HG21 VAL 34 1HG2 VAL 34 -3.937 -1.272 -4.732 270 HG22 VAL 34 2HG2 VAL 34 -4.595 -1.538 -6.347 271 HG23 VAL 34 3HG2 VAL 34 -4.325 -2.910 -5.272 272 H ASP 35 H ASP 35 -5.545 -3.985 -6.896 273 HA ASP 35 HA ASP 35 -6.310 -6.537 -5.607 274 HB2 ASP 35 2HB ASP 35 -5.279 -5.968 -8.418 275 HB3 ASP 35 1HB ASP 35 -5.418 -7.592 -7.744 276 H SER 36 H SER 36 -4.456 -8.188 -5.940 277 HA SER 36 HA SER 36 -2.418 -7.393 -4.162 278 HB2 SER 36 2HB SER 36 -3.528 -9.769 -4.656 279 HB3 SER 36 1HB SER 36 -2.145 -9.948 -5.741 280 H ALA 37 H ALA 37 -2.526 -7.525 -7.660 281 HA ALA 37 HA ALA 37 0.168 -7.713 -8.368 282 HB1 ALA 37 1HB ALA 37 -0.483 -6.666 -10.503 283 HB2 ALA 37 2HB ALA 37 -2.016 -6.153 -9.788 284 HB3 ALA 37 3HB ALA 37 -1.669 -7.871 -9.992 285 H ALA 38 H ALA 38 -1.675 -4.876 -7.299 286 HA ALA 38 HA ALA 38 0.333 -2.910 -7.965 287 HB1 ALA 38 1HB ALA 38 -2.048 -2.290 -7.874 288 HB2 ALA 38 2HB ALA 38 -1.110 -1.326 -6.735 289 HB3 ALA 38 3HB ALA 38 -2.092 -2.673 -6.154 290 H ILE 39 H ILE 39 -0.243 -5.016 -5.269 291 HA ILE 39 HA ILE 39 0.635 -3.440 -3.113 292 HB ILE 39 HB ILE 39 0.665 -6.479 -3.373 293 HG12 ILE 39 2HG1 ILE 39 -1.570 -5.587 -3.727 294 HG13 ILE 39 1HG1 ILE 39 -1.521 -6.350 -2.147 295 HG21 ILE 39 1HG2 ILE 39 2.132 -5.825 -1.506 296 HG22 ILE 39 2HG2 ILE 39 0.655 -6.568 -0.884 297 HG23 ILE 39 3HG2 ILE 39 0.850 -4.816 -0.824 298 HD11 ILE 39 1HD1 ILE 39 -1.479 -3.393 -2.730 299 HD12 ILE 39 2HD1 ILE 39 -1.332 -4.108 -1.122 300 HD13 ILE 39 3HD1 ILE 39 -2.808 -4.337 -2.056 301 H PHE 40 H PHE 40 2.488 -5.563 -5.300 302 HA PHE 40 HA PHE 40 4.960 -5.453 -3.922 303 HB2 PHE 40 2HB PHE 40 4.496 -7.123 -5.710 304 HB3 PHE 40 1HB PHE 40 4.487 -5.839 -6.921 305 HD1 PHE 40 HD1 PHE 40 6.641 -7.599 -4.425 306 HD2 PHE 40 HD2 PHE 40 6.574 -5.078 -7.891 307 HE1 PHE 40 HE1 PHE 40 9.081 -7.804 -4.636 308 HE2 PHE 40 HE2 PHE 40 9.013 -5.299 -8.091 309 HZ PHE 40 HZ PHE 40 10.267 -6.656 -6.465 310 H ASP 41 H ASP 41 3.409 -3.183 -6.073 311 HA ASP 41 HA ASP 41 5.703 -1.481 -6.509 312 HB2 ASP 41 2HB ASP 41 3.875 -1.645 -8.170 313 HB3 ASP 41 1HB ASP 41 2.723 -1.038 -6.985 314 H LEU 42 H LEU 42 2.701 -1.301 -4.618 315 HA LEU 42 HA LEU 42 2.966 1.189 -3.390 316 HB2 LEU 42 2HB LEU 42 1.587 -1.329 -2.381 317 HB3 LEU 42 1HB LEU 42 1.343 0.266 -1.681 318 HG LEU 42 HG LEU 42 0.584 -0.554 -4.519 319 HD11 LEU 42 1HD1 LEU 42 -1.226 -0.047 -2.138 320 HD12 LEU 42 2HD1 LEU 42 -0.863 -1.615 -2.863 321 HD13 LEU 42 3HD1 LEU 42 -1.741 -0.403 -3.792 322 HD21 LEU 42 1HD2 LEU 42 -0.554 1.634 -4.668 323 HD22 LEU 42 2HD2 LEU 42 1.187 1.804 -4.473 324 HD23 LEU 42 3HD2 LEU 42 0.118 2.092 -3.099 325 H VAL 43 H VAL 43 4.038 -2.004 -2.332 326 HA VAL 43 HA VAL 43 4.850 -1.263 0.269 327 HB VAL 43 HB VAL 43 4.325 -3.617 -0.411 328 HG11 VAL 43 1HG1 VAL 43 6.002 -5.055 -1.480 329 HG12 VAL 43 2HG1 VAL 43 7.051 -3.660 -1.754 330 HG13 VAL 43 3HG1 VAL 43 5.481 -3.758 -2.556 331 HG21 VAL 43 1HG2 VAL 43 7.040 -3.284 0.896 332 HG22 VAL 43 2HG2 VAL 43 5.992 -4.694 1.036 333 HG23 VAL 43 3HG2 VAL 43 5.477 -3.144 1.701 334 H ASP 44 H ASP 44 6.603 -1.494 -2.839 335 HA ASP 44 HA ASP 44 9.242 -1.270 -1.911 336 HB2 ASP 44 2HB ASP 44 8.577 -1.791 -4.290 337 HB3 ASP 44 1HB ASP 44 8.111 -0.121 -4.509 338 H PHE 45 H PHE 45 6.831 1.151 -2.728 339 HA PHE 45 HA PHE 45 8.416 3.436 -2.489 340 HB2 PHE 45 2HB PHE 45 6.070 3.184 -3.534 341 HB3 PHE 45 1HB PHE 45 5.431 3.296 -1.904 342 HD1 PHE 45 HD1 PHE 45 6.549 5.144 -4.787 343 HD2 PHE 45 HD2 PHE 45 5.931 5.474 -0.566 344 HE1 PHE 45 HE1 PHE 45 6.502 7.598 -4.977 345 HE2 PHE 45 HE2 PHE 45 5.892 7.922 -0.769 346 HZ PHE 45 HZ PHE 45 6.174 8.988 -2.971 347 H LEU 46 H LEU 46 6.384 1.640 -0.141 348 HA LEU 46 HA LEU 46 6.817 3.305 2.117 349 HB2 LEU 46 2HB LEU 46 6.140 0.337 2.032 350 HB3 LEU 46 1HB LEU 46 6.059 1.338 3.472 351 HG LEU 46 HG LEU 46 4.303 1.593 0.997 352 HD11 LEU 46 1HD1 LEU 46 2.459 0.911 2.461 353 HD12 LEU 46 2HD1 LEU 46 3.579 0.703 3.809 354 HD13 LEU 46 3HD1 LEU 46 3.707 -0.331 2.383 355 HD21 LEU 46 1HD2 LEU 46 4.256 3.294 3.518 356 HD22 LEU 46 2HD2 LEU 46 3.059 3.343 2.221 357 HD23 LEU 46 3HD2 LEU 46 4.720 3.825 1.899 358 H ARG 47 H ARG 47 8.791 0.757 0.661 359 HA ARG 47 HA ARG 47 10.473 0.258 2.958 360 HB2 ARG 47 2HB ARG 47 11.347 -0.226 0.063 361 HB3 ARG 47 1HB ARG 47 11.969 -0.996 1.517 362 HG2 ARG 47 2HG ARG 47 9.570 -1.651 -0.121 363 HG3 ARG 47 1HG ARG 47 10.713 -2.720 0.690 364 HD2 ARG 47 2HD ARG 47 8.436 -1.179 1.956 365 HD3 ARG 47 1HD ARG 47 8.503 -2.911 1.670 366 HE ARG 47 HE ARG 47 10.623 -2.499 3.282 367 HH11 ARG 47 1HH1 ARG 47 7.250 -1.494 3.577 368 HH12 ARG 47 2HH1 ARG 47 7.271 -1.558 5.308 369 HH21 ARG 47 1HH2 ARG 47 10.573 -2.710 5.509 370 HH22 ARG 47 2HH2 ARG 47 9.156 -2.250 6.385 371 H GLN 48 H GLN 48 10.538 2.278 0.157 372 HA GLN 48 HA GLN 48 13.171 3.280 0.322 373 HB2 GLN 48 2HB GLN 48 11.740 3.194 -1.752 374 HB3 GLN 48 1HB GLN 48 10.715 4.449 -1.056 375 HG2 GLN 48 2HG GLN 48 12.649 6.007 -1.042 376 HG3 GLN 48 1HG GLN 48 13.643 4.749 -1.772 377 HE21 GLN 48 1HE2 GLN 48 10.270 5.419 -2.649 378 HE22 GLN 48 2HE2 GLN 48 10.632 5.943 -4.255 379 H GLU 49 H GLU 49 10.002 4.470 1.423 380 HA GLU 49 HA GLU 49 10.960 6.981 2.417 381 HB2 GLU 49 2HB GLU 49 8.320 5.550 2.933 382 HB3 GLU 49 1HB GLU 49 8.673 7.206 3.427 383 HG2 GLU 49 2HG GLU 49 8.264 6.113 0.642 384 HG3 GLU 49 1HG GLU 49 7.419 7.437 1.440 385 H SER 50 H SER 50 9.968 3.940 3.978 386 HA SER 50 HA SER 50 10.610 4.873 6.644 387 HB2 SER 50 2HB SER 50 9.923 2.055 5.706 388 HB3 SER 50 1HB SER 50 9.918 2.633 7.371 389 HG SER 50 HG SER 50 8.183 3.354 5.256 390 H LYS 51 H LYS 51 12.508 3.773 4.114 391 HA LYS 51 HA LYS 51 14.677 3.254 3.834 392 HB2 LYS 51 2HB LYS 51 15.002 4.096 6.746 393 HB3 LYS 51 1HB LYS 51 16.291 3.990 5.556 394 HG2 LYS 51 2HG LYS 51 13.965 5.945 5.501 395 HG3 LYS 51 1HG LYS 51 15.629 6.318 5.956 396 HD2 LYS 51 2HD LYS 51 16.388 5.807 3.665 397 HD3 LYS 51 1HD LYS 51 14.740 5.369 3.202 398 HE2 LYS 51 2HE LYS 51 15.240 7.614 2.404 399 HE3 LYS 51 1HE LYS 51 14.022 7.715 3.677 400 HZ1 LYS 51 1HZ LYS 51 15.713 8.381 5.227 401 HZ2 LYS 51 2HZ LYS 51 15.784 9.395 3.879 402 HZ3 LYS 51 3HZ LYS 51 16.930 8.174 4.073 403 H VAL 52 H VAL 52 12.851 1.114 4.744 404 HA VAL 52 HA VAL 52 14.753 -0.766 5.990 405 HB VAL 52 HB VAL 52 12.875 -1.670 7.404 406 HG11 VAL 52 1HG1 VAL 52 13.037 0.011 9.195 407 HG12 VAL 52 2HG1 VAL 52 13.650 1.191 8.036 408 HG13 VAL 52 3HG1 VAL 52 14.602 -0.245 8.420 409 HG21 VAL 52 1HG2 VAL 52 11.416 0.879 6.675 410 HG22 VAL 52 2HG2 VAL 52 10.880 -0.311 7.862 411 HG23 VAL 52 3HG2 VAL 52 10.966 -0.746 6.155 412 H SER 53 H SER 53 14.346 -2.926 5.602 413 HA SER 53 HA SER 53 12.923 -3.558 3.127 414 HB2 SER 53 2HB SER 53 14.755 -5.277 4.857 415 HB3 SER 53 1HB SER 53 14.138 -5.701 3.258 416 HG SER 53 HG SER 53 16.032 -3.745 3.972 417 H ILE 54 H ILE 54 11.625 -5.532 3.035 418 HA ILE 54 HA ILE 54 10.146 -6.228 5.493 419 HB ILE 54 HB ILE 54 8.872 -4.519 4.254 420 HG12 ILE 54 2HG1 ILE 54 7.488 -7.229 4.012 421 HG13 ILE 54 1HG1 ILE 54 7.645 -6.326 5.511 422 HG21 ILE 54 1HG2 ILE 54 7.968 -4.964 2.004 423 HG22 ILE 54 2HG2 ILE 54 8.884 -6.466 1.929 424 HG23 ILE 54 3HG2 ILE 54 9.731 -4.919 2.004 425 HD11 ILE 54 1HD1 ILE 54 6.138 -5.426 3.063 426 HD12 ILE 54 2HD1 ILE 54 6.271 -4.534 4.583 427 HD13 ILE 54 3HD1 ILE 54 5.445 -6.092 4.539 428 H GLY 55 H GLY 55 9.329 -8.347 5.561 429 HA2 GLY 55 2HA GLY 55 10.360 -10.358 3.774 430 HA3 GLY 55 1HA GLY 55 9.226 -10.604 5.098 431 H MET 56 H MET 56 9.235 -11.472 2.136 432 HA MET 56 HA MET 56 7.098 -10.088 0.832 433 HB2 MET 56 2HB MET 56 8.431 -12.753 0.311 434 HB3 MET 56 1HB MET 56 7.086 -12.189 -0.670 435 HG2 MET 56 2HG MET 56 8.434 -10.145 -1.240 436 HG3 MET 56 1HG MET 56 9.800 -10.871 -0.385 437 HE1 MET 56 1HE MET 56 7.091 -12.742 -2.543 438 HE2 MET 56 2HE MET 56 7.828 -12.649 -4.141 439 HE3 MET 56 3HE MET 56 7.280 -11.172 -3.336 440 H GLN 57 H GLN 57 7.138 -12.549 3.233 441 HA GLN 57 HA GLN 57 4.484 -13.527 2.984 442 HB2 GLN 57 2HB GLN 57 6.186 -14.659 4.336 443 HB3 GLN 57 1HB GLN 57 6.330 -13.261 5.396 444 HG2 GLN 57 2HG GLN 57 4.127 -13.636 6.309 445 HG3 GLN 57 1HG GLN 57 3.784 -14.885 5.113 446 HE21 GLN 57 1HE2 GLN 57 4.796 -16.907 5.307 447 HE22 GLN 57 2HE2 GLN 57 5.482 -17.439 6.804 448 H GLU 58 H GLU 58 5.935 -10.723 4.548 449 HA GLU 58 HA GLU 58 3.555 -9.796 5.904 450 HB2 GLU 58 2HB GLU 58 6.179 -8.341 5.347 451 HB3 GLU 58 1HB GLU 58 4.946 -7.839 6.497 452 HG2 GLU 58 2HG GLU 58 6.647 -10.343 6.680 453 HG3 GLU 58 1HG GLU 58 6.879 -8.867 7.615 454 H ILE 59 H ILE 59 5.077 -9.364 2.798 455 HA ILE 59 HA ILE 59 3.510 -7.083 1.969 456 HB ILE 59 HB ILE 59 4.969 -9.014 0.126 457 HG12 ILE 59 2HG1 ILE 59 6.147 -6.517 1.425 458 HG13 ILE 59 1HG1 ILE 59 6.611 -8.179 1.787 459 HG21 ILE 59 1HG2 ILE 59 5.022 -7.115 -1.420 460 HG22 ILE 59 2HG2 ILE 59 4.236 -6.079 -0.215 461 HG23 ILE 59 3HG2 ILE 59 3.363 -7.446 -0.917 462 HD11 ILE 59 1HD1 ILE 59 6.946 -6.781 -0.865 463 HD12 ILE 59 2HD1 ILE 59 7.394 -8.455 -0.519 464 HD13 ILE 59 3HD1 ILE 59 8.217 -7.136 0.308 465 H HIS 60 H HIS 60 1.392 -7.988 2.565 466 HA HIS 60 HA HIS 60 0.219 -9.496 0.329 467 HB2 HIS 60 2HB HIS 60 0.668 -11.032 2.364 468 HB3 HIS 60 1HB HIS 60 -0.582 -10.116 3.188 469 HD1 HIS 60 HD1 HIS 60 -0.264 -12.040 -0.099 470 HD2 HIS 60 HD2 HIS 60 -3.055 -11.225 2.879 471 HE1 HIS 60 HE1 HIS 60 -2.316 -13.355 -0.717 472 HE2 HIS 60 HE2 HIS 60 -4.040 -12.665 0.985 473 HA PRO 61 HA PRO 61 -2.454 -6.029 0.229 474 HB2 PRO 61 2HB PRO 61 -4.795 -7.196 -0.768 475 HB3 PRO 61 1HB PRO 61 -3.372 -6.801 -1.747 476 HG2 PRO 61 2HG PRO 61 -4.103 -9.413 -0.459 477 HG3 PRO 61 1HG PRO 61 -3.580 -9.094 -2.137 478 HD2 PRO 61 2HD PRO 61 -1.841 -10.005 -0.382 479 HD3 PRO 61 1HD PRO 61 -1.335 -8.698 -1.464 480 H ALA 62 H ALA 62 -3.571 -8.730 2.180 481 HA ALA 62 HA ALA 62 -5.838 -7.449 3.365 482 HB1 ALA 62 1HB ALA 62 -5.740 -9.248 5.059 483 HB2 ALA 62 2HB ALA 62 -4.155 -9.729 4.458 484 HB3 ALA 62 3HB ALA 62 -5.570 -9.898 3.425 485 H ASN 63 H ASN 63 -2.387 -7.308 3.985 486 HA ASN 63 HA ASN 63 -2.627 -5.711 6.413 487 HB2 ASN 63 2HB ASN 63 -0.212 -6.399 4.672 488 HB3 ASN 63 1HB ASN 63 -0.114 -5.452 6.155 489 HD21 ASN 63 1HD2 ASN 63 1.200 -7.967 5.567 490 HD22 ASN 63 2HD2 ASN 63 0.662 -9.095 6.759 491 H PHE 64 H PHE 64 -2.358 -5.182 2.957 492 HA PHE 64 HA PHE 64 -1.865 -2.283 3.274 493 HB2 PHE 64 2HB PHE 64 -1.801 -4.094 0.815 494 HB3 PHE 64 1HB PHE 64 -1.543 -2.354 0.764 495 HD1 PHE 64 HD1 PHE 64 -0.186 -5.504 2.218 496 HD2 PHE 64 HD2 PHE 64 0.632 -1.459 1.124 497 HE1 PHE 64 HE1 PHE 64 2.192 -5.883 2.636 498 HE2 PHE 64 HE2 PHE 64 3.027 -1.841 1.544 499 HZ PHE 64 HZ PHE 64 3.799 -4.056 2.302 500 H ALA 65 H ALA 65 -4.477 -3.739 3.823 501 HA ALA 65 HA ALA 65 -6.344 -3.076 1.746 502 HB1 ALA 65 1HB ALA 65 -6.692 -4.985 3.242 503 HB2 ALA 65 2HB ALA 65 -8.051 -3.862 3.335 504 HB3 ALA 65 3HB ALA 65 -6.842 -3.896 4.624 505 H THR 66 H THR 66 -4.951 -1.281 4.269 506 HA THR 66 HA THR 66 -6.375 1.141 3.565 507 HB THR 66 HB THR 66 -6.658 1.689 6.124 508 HG1 THR 66 HG1 THR 66 -7.176 -1.005 6.570 509 HG21 THR 66 1HG2 THR 66 -8.630 1.457 4.654 510 HG22 THR 66 2HG2 THR 66 -8.940 0.772 6.251 511 HG23 THR 66 3HG2 THR 66 -8.603 -0.294 4.885 512 H VAL 67 H VAL 67 -5.231 3.074 4.594 513 HA VAL 67 HA VAL 67 -2.395 2.796 4.461 514 HB VAL 67 HB VAL 67 -3.557 4.967 3.938 515 HG11 VAL 67 1HG1 VAL 67 -5.118 5.146 5.828 516 HG12 VAL 67 2HG1 VAL 67 -4.101 6.582 5.719 517 HG13 VAL 67 3HG1 VAL 67 -3.767 5.361 6.949 518 HG21 VAL 67 1HG2 VAL 67 -1.115 4.891 4.212 519 HG22 VAL 67 2HG2 VAL 67 -1.280 5.193 5.944 520 HG23 VAL 67 3HG2 VAL 67 -1.757 6.434 4.781 521 H GLN 68 H GLN 68 -4.654 3.037 7.198 522 HA GLN 68 HA GLN 68 -2.650 3.283 9.211 523 HB2 GLN 68 2HB GLN 68 -5.597 2.545 9.329 524 HB3 GLN 68 1HB GLN 68 -4.597 2.607 10.778 525 HG2 GLN 68 2HG GLN 68 -5.040 4.935 8.884 526 HG3 GLN 68 1HG GLN 68 -5.918 4.686 10.394 527 HE21 GLN 68 1HE2 GLN 68 -4.152 6.909 9.549 528 HE22 GLN 68 2HE2 GLN 68 -2.937 7.022 10.773 529 H SER 69 H SER 69 -4.020 0.526 7.535 530 HA SER 69 HA SER 69 -2.991 -1.405 9.432 531 HB2 SER 69 2HB SER 69 -5.038 -1.843 8.044 532 HB3 SER 69 1HB SER 69 -4.016 -1.891 6.603 533 HG SER 69 HG SER 69 -4.158 -3.971 7.239 534 H MET 70 H MET 70 -2.008 -0.141 6.213 535 HA MET 70 HA MET 70 0.234 -1.920 5.901 536 HB2 MET 70 2HB MET 70 0.755 -0.764 3.871 537 HB3 MET 70 1HB MET 70 -0.995 -0.845 3.955 538 HG2 MET 70 2HG MET 70 -1.079 1.506 4.646 539 HG3 MET 70 1HG MET 70 0.680 1.590 4.613 540 HE1 MET 70 1HE MET 70 -1.961 1.070 0.840 541 HE2 MET 70 2HE MET 70 -2.607 1.251 2.475 542 HE3 MET 70 3HE MET 70 -1.763 -0.228 2.013 543 H VAL 71 H VAL 71 -0.207 1.330 7.169 544 HA VAL 71 HA VAL 71 2.564 2.048 7.338 545 HB VAL 71 HB VAL 71 0.350 3.583 7.409 546 HG11 VAL 71 1HG1 VAL 71 0.924 3.406 10.370 547 HG12 VAL 71 2HG1 VAL 71 -0.511 2.774 9.566 548 HG13 VAL 71 3HG1 VAL 71 -0.210 4.513 9.590 549 HG21 VAL 71 1HG2 VAL 71 2.606 4.463 7.086 550 HG22 VAL 71 2HG2 VAL 71 2.932 4.344 8.816 551 HG23 VAL 71 3HG2 VAL 71 1.724 5.487 8.225 552 H ALA 72 H ALA 72 0.194 0.545 9.421 553 HA ALA 72 HA ALA 72 1.785 0.591 11.823 554 HB1 ALA 72 1HB ALA 72 -0.039 -0.713 12.805 555 HB2 ALA 72 2HB ALA 72 -0.755 -0.941 11.207 556 HB3 ALA 72 3HB ALA 72 -0.672 0.673 11.909 557 H LEU 73 H LEU 73 1.113 -1.712 9.217 558 HA LEU 73 HA LEU 73 2.357 -4.026 10.186 559 HB2 LEU 73 2HB LEU 73 1.126 -4.321 8.194 560 HB3 LEU 73 1HB LEU 73 1.706 -2.819 7.500 561 HG LEU 73 HG LEU 73 3.965 -3.958 7.226 562 HD11 LEU 73 1HD1 LEU 73 3.680 -5.840 8.725 563 HD12 LEU 73 2HD1 LEU 73 4.019 -6.412 7.095 564 HD13 LEU 73 3HD1 LEU 73 2.372 -6.490 7.730 565 HD21 LEU 73 1HD2 LEU 73 3.358 -4.957 5.088 566 HD22 LEU 73 2HD2 LEU 73 2.464 -3.462 5.365 567 HD23 LEU 73 3HD2 LEU 73 1.661 -5.017 5.573 568 H VAL 74 H VAL 74 3.560 -1.216 8.366 569 HA VAL 74 HA VAL 74 6.293 -1.880 8.311 570 HB VAL 74 HB VAL 74 5.000 0.887 8.260 571 HG11 VAL 74 1HG1 VAL 74 7.343 1.108 8.985 572 HG12 VAL 74 2HG1 VAL 74 7.159 1.728 7.346 573 HG13 VAL 74 3HG1 VAL 74 7.887 0.142 7.611 574 HG21 VAL 74 1HG2 VAL 74 4.350 -0.557 6.354 575 HG22 VAL 74 2HG2 VAL 74 6.046 -0.834 5.967 576 HG23 VAL 74 3HG2 VAL 74 5.358 0.785 5.807 577 H GLN 75 H GLN 75 4.344 -0.095 10.719 578 HA GLN 75 HA GLN 75 6.487 0.713 12.410 579 HB2 GLN 75 2HB GLN 75 3.527 0.317 13.012 580 HB3 GLN 75 1HB GLN 75 4.658 0.978 14.189 581 HG2 GLN 75 2HG GLN 75 5.137 2.869 12.664 582 HG3 GLN 75 1HG GLN 75 4.006 2.204 11.490 583 HE21 GLN 75 1HE2 GLN 75 1.785 2.410 11.864 584 HE22 GLN 75 2HE2 GLN 75 1.131 3.436 13.089 585 H ARG 76 H ARG 76 4.808 -2.352 12.142 586 HA ARG 76 HA ARG 76 5.649 -3.443 14.684 587 HB2 ARG 76 2HB ARG 76 4.608 -4.897 12.210 588 HB3 ARG 76 1HB ARG 76 4.795 -5.608 13.809 589 HG2 ARG 76 2HG ARG 76 2.819 -3.476 12.961 590 HG3 ARG 76 1HG ARG 76 2.465 -5.120 13.484 591 HD2 ARG 76 2HD ARG 76 3.635 -2.919 15.225 592 HD3 ARG 76 1HD ARG 76 1.957 -3.467 15.253 593 HE ARG 76 HE ARG 76 3.164 -5.742 15.768 594 HH11 ARG 76 1HH1 ARG 76 3.933 -2.598 17.163 595 HH12 ARG 76 2HH1 ARG 76 4.516 -3.285 18.649 596 HH21 ARG 76 1HH2 ARG 76 3.899 -6.606 17.701 597 HH22 ARG 76 2HH2 ARG 76 4.499 -5.557 18.955 598 H LEU 77 H LEU 77 6.735 -3.698 11.291 599 HA LEU 77 HA LEU 77 8.932 -5.469 11.939 600 HB2 LEU 77 2HB LEU 77 9.548 -5.299 9.547 601 HB3 LEU 77 1HB LEU 77 7.880 -5.764 9.803 602 HG LEU 77 HG LEU 77 7.281 -3.304 9.345 603 HD11 LEU 77 1HD1 LEU 77 10.103 -3.193 8.248 604 HD12 LEU 77 2HD1 LEU 77 9.393 -2.194 9.529 605 HD13 LEU 77 3HD1 LEU 77 8.818 -2.038 7.870 606 HD21 LEU 77 1HD2 LEU 77 8.341 -5.005 7.080 607 HD22 LEU 77 2HD2 LEU 77 7.228 -3.641 6.920 608 HD23 LEU 77 3HD2 LEU 77 6.732 -5.080 7.806 609 H LYS 78 H LYS 78 8.504 -2.041 11.938 610 HA LYS 78 HA LYS 78 11.206 -1.166 11.683 611 HB2 LYS 78 2HB LYS 78 8.804 0.021 13.117 612 HB3 LYS 78 1HB LYS 78 10.360 0.834 13.080 613 HG2 LYS 78 2HG LYS 78 8.715 0.117 10.629 614 HG3 LYS 78 1HG LYS 78 8.709 1.698 11.399 615 HD2 LYS 78 2HD LYS 78 11.214 0.410 10.247 616 HD3 LYS 78 1HD LYS 78 10.156 1.468 9.313 617 HE2 LYS 78 2HE LYS 78 10.568 3.290 10.952 618 HE3 LYS 78 1HE LYS 78 11.675 2.232 11.831 619 HZ1 LYS 78 1HZ LYS 78 12.816 3.746 10.340 620 HZ2 LYS 78 2HZ LYS 78 12.002 3.093 9.014 621 HZ3 LYS 78 3HZ LYS 78 13.080 2.140 9.899 622 H ALA 79 H ALA 79 9.309 -2.499 14.308 623 HA ALA 79 HA ALA 79 11.159 -2.105 16.427 624 HB1 ALA 79 1HB ALA 79 8.985 -4.215 16.121 625 HB2 ALA 79 2HB ALA 79 8.776 -2.614 16.832 626 HB3 ALA 79 3HB ALA 79 9.809 -3.801 17.629 627 H HIS 80 H HIS 80 10.973 -4.355 13.792 628 HA HIS 80 HA HIS 80 13.056 -6.149 14.804 629 HB2 HIS 80 2HB HIS 80 11.606 -6.065 12.105 630 HB3 HIS 80 1HB HIS 80 12.762 -7.300 12.593 631 HD1 HIS 80 HD1 HIS 80 9.447 -5.918 13.889 632 HD2 HIS 80 HD2 HIS 80 11.522 -9.504 13.617 633 HE1 HIS 80 HE1 HIS 80 7.893 -7.662 14.799 634 HE2 HIS 80 HE2 HIS 80 9.235 -9.790 14.774 635 HA PRO 81 HA PRO 81 16.174 -3.169 13.199 636 HB2 PRO 81 2HB PRO 81 18.366 -4.907 13.411 637 HB3 PRO 81 1HB PRO 81 17.703 -3.971 14.764 638 HG2 PRO 81 2HG PRO 81 17.124 -6.826 14.005 639 HG3 PRO 81 1HG PRO 81 17.507 -6.150 15.607 640 HD2 PRO 81 2HD PRO 81 14.976 -6.668 14.994 641 HD3 PRO 81 1HD PRO 81 15.368 -5.152 15.839 642 H GLU 82 H GLU 82 15.889 -6.482 12.055 643 HA GLU 82 HA GLU 82 16.109 -5.708 9.264 644 HB2 GLU 82 2HB GLU 82 18.483 -6.171 10.030 645 HB3 GLU 82 1HB GLU 82 17.999 -7.794 10.475 646 HG2 GLU 82 2HG GLU 82 17.846 -6.734 7.636 647 HG3 GLU 82 1HG GLU 82 19.262 -7.550 8.283 648 H GLN 83 H GLN 83 14.564 -6.808 8.228 649 HA GLN 83 HA GLN 83 14.193 -9.612 8.535 650 HB2 GLN 83 2HB GLN 83 11.816 -9.654 9.104 651 HB3 GLN 83 1HB GLN 83 12.734 -8.875 10.376 652 HG2 GLN 83 2HG GLN 83 11.118 -7.289 10.328 653 HG3 GLN 83 1HG GLN 83 11.944 -6.692 8.898 654 HE21 GLN 83 1HE2 GLN 83 9.175 -8.487 10.076 655 HE22 GLN 83 2HE2 GLN 83 8.277 -8.434 8.600 656 H GLY 84 H GLY 84 13.636 -10.463 6.583 657 HA2 GLY 84 2HA GLY 84 11.995 -9.520 4.620 658 HA3 GLY 84 1HA GLY 84 13.517 -8.697 4.318 659 H GLY 85 H GLY 85 13.434 -9.758 2.311 660 HA2 GLY 85 2HA GLY 85 14.878 -12.341 2.349 661 HA3 GLY 85 1HA GLY 85 13.506 -12.113 1.260 662 H ALA 86 H ALA 86 16.534 -12.412 0.817 663 HA ALA 86 HA ALA 86 17.424 -9.859 -0.207 664 HB1 ALA 86 1HB ALA 86 18.722 -12.593 -0.451 665 HB2 ALA 86 2HB ALA 86 19.033 -11.413 0.824 666 HB3 ALA 86 3HB ALA 86 19.479 -11.049 -0.845 667 H ALA 87 H ALA 87 15.702 -9.480 -1.688 668 HA ALA 87 HA ALA 87 15.389 -11.027 -4.116 669 HB1 ALA 87 1HB ALA 87 13.844 -9.223 -4.807 670 HB2 ALA 87 2HB ALA 87 14.326 -8.261 -3.410 671 HB3 ALA 87 3HB ALA 87 13.463 -9.781 -3.173 672 H LEU 88 H LEU 88 17.489 -11.095 -4.889 673 HA LEU 88 HA LEU 88 18.345 -8.890 -6.532 674 HB2 LEU 88 2HB LEU 88 20.755 -9.029 -5.600 675 HB3 LEU 88 1HB LEU 88 19.563 -8.088 -4.727 676 HG LEU 88 HG LEU 88 19.289 -9.986 -3.101 677 HD11 LEU 88 1HD1 LEU 88 21.662 -11.239 -4.500 678 HD12 LEU 88 2HD1 LEU 88 20.005 -11.843 -4.498 679 HD13 LEU 88 3HD1 LEU 88 20.918 -11.792 -2.991 680 HD21 LEU 88 1HD2 LEU 88 22.104 -8.885 -3.318 681 HD22 LEU 88 2HD2 LEU 88 21.355 -9.567 -1.872 682 HD23 LEU 88 3HD2 LEU 88 20.719 -8.083 -2.573 683 H GLU 89 H GLU 89 20.867 -9.867 -7.254 684 HA GLU 89 HA GLU 89 20.278 -11.796 -9.183 685 HB2 GLU 89 2HB GLU 89 22.805 -11.943 -9.459 686 HB3 GLU 89 1HB GLU 89 22.119 -10.326 -9.581 687 HG2 GLU 89 2HG GLU 89 22.872 -9.773 -7.334 688 HG3 GLU 89 1HG GLU 89 23.445 -11.421 -7.079 689 H282 PNS 101 3H28 PNS 136 0.920 -9.382 -2.723 690 H281 PNS 101 2H28 PNS 136 0.892 -8.741 -4.362 691 H303 PNS 101 3H51 PNS 136 4.220 -11.002 -2.957 692 H302 PNS 101 2H51 PNS 136 2.893 -10.591 -1.876 693 H301 PNS 101 1H51 PNS 136 2.652 -11.789 -3.162 694 H313 PNS 101 3H52 PNS 136 3.063 -7.623 -4.138 695 H312 PNS 101 2H52 PNS 136 4.455 -8.508 -3.516 696 H311 PNS 101 1H52 PNS 136 3.090 -8.149 -2.454 697 H32 PNS 101 H32 PNS 136 2.666 -10.968 -5.625 698 H33 PNS 101 H33 PNS 136 1.665 -8.947 -6.102 699 H36 PNS 101 H36 PNS 136 4.335 -10.205 -7.488 700 H372 PNS 101 3H37 PNS 136 6.396 -10.549 -8.375 701 H371 PNS 101 2H37 PNS 136 6.959 -9.476 -7.095 702 H382 PNS 101 3H38 PNS 136 8.198 -11.645 -7.154 703 H381 PNS 101 2H38 PNS 136 7.409 -11.323 -5.616 704 H41 PNS 101 H41 PNS 136 5.602 -12.440 -5.048 705 H422 PNS 101 3H42 PNS 136 5.411 -15.218 -5.739 706 H421 PNS 101 2H42 PNS 136 3.994 -14.264 -6.181 707 H431 PNS 101 2H43 PNS 136 5.168 -14.454 -3.381 708 H432 PNS 101 3H43 PNS 136 3.728 -13.531 -3.848 709 H44 PNS 101 H44 PNS 136 2.899 -15.908 -2.568 Start of MODEL 19 1 H1 MET 1 1H MET 1 3.419 16.437 1.042 2 H2 MET 1 2H MET 1 4.426 15.380 1.896 3 H3 MET 1 3H MET 1 3.188 16.197 2.700 4 HA MET 1 HA MET 1 2.626 13.903 2.327 5 HB2 MET 1 2HB MET 1 0.975 15.874 0.673 6 HB3 MET 1 1HB MET 1 0.401 14.308 1.237 7 HG2 MET 1 2HG MET 1 0.550 15.044 3.560 8 HG3 MET 1 1HG MET 1 1.246 16.586 3.055 9 HE1 MET 1 1HE MET 1 -0.084 18.416 1.624 10 HE2 MET 1 2HE MET 1 -1.786 18.276 1.190 11 HE3 MET 1 3HE MET 1 -0.591 17.247 0.402 12 H LEU 2 H LEU 2 3.187 12.228 1.121 13 HA LEU 2 HA LEU 2 3.242 12.419 -1.827 14 HB2 LEU 2 2HB LEU 2 5.130 10.886 -1.959 15 HB3 LEU 2 1HB LEU 2 5.578 12.322 -1.066 16 HG LEU 2 HG LEU 2 5.003 9.593 0.175 17 HD11 LEU 2 1HD1 LEU 2 7.037 9.518 -1.131 18 HD12 LEU 2 2HD1 LEU 2 7.428 9.480 0.585 19 HD13 LEU 2 3HD1 LEU 2 7.654 10.969 -0.336 20 HD21 LEU 2 1HD2 LEU 2 6.119 12.084 1.513 21 HD22 LEU 2 2HD2 LEU 2 5.916 10.494 2.261 22 HD23 LEU 2 3HD2 LEU 2 4.504 11.414 1.754 23 H GLU 3 H GLU 3 1.522 11.379 0.602 24 HA GLU 3 HA GLU 3 0.904 8.657 0.046 25 HB2 GLU 3 2HB GLU 3 -0.933 10.790 1.251 26 HB3 GLU 3 1HB GLU 3 -1.157 9.050 1.359 27 HG2 GLU 3 2HG GLU 3 -0.345 9.669 3.484 28 HG3 GLU 3 1HG GLU 3 1.063 8.994 2.665 29 H SER 4 H SER 4 -0.335 11.767 -1.095 30 HA SER 4 HA SER 4 -2.449 10.910 -2.750 31 HB2 SER 4 2HB SER 4 -0.693 13.356 -3.214 32 HB3 SER 4 1HB SER 4 -2.395 13.157 -3.629 33 HG SER 4 HG SER 4 -2.623 12.865 -1.225 34 H LYS 5 H LYS 5 1.014 10.900 -3.165 35 HA LYS 5 HA LYS 5 1.005 10.728 -6.049 36 HB2 LYS 5 2HB LYS 5 2.768 11.951 -4.654 37 HB3 LYS 5 1HB LYS 5 3.384 10.370 -4.182 38 HG2 LYS 5 2HG LYS 5 3.892 9.847 -6.537 39 HG3 LYS 5 1HG LYS 5 3.200 11.393 -7.038 40 HD2 LYS 5 2HD LYS 5 4.976 12.538 -5.624 41 HD3 LYS 5 1HD LYS 5 5.718 10.951 -5.390 42 HE2 LYS 5 2HE LYS 5 5.340 12.410 -8.034 43 HE3 LYS 5 1HE LYS 5 6.867 12.111 -7.199 44 HZ1 LYS 5 1HZ LYS 5 6.496 9.725 -7.519 45 HZ2 LYS 5 2HZ LYS 5 6.585 10.553 -8.985 46 HZ3 LYS 5 3HZ LYS 5 5.084 10.054 -8.390 47 H LEU 6 H LEU 6 1.468 8.468 -3.282 48 HA LEU 6 HA LEU 6 2.207 6.225 -4.922 49 HB2 LEU 6 2HB LEU 6 1.882 4.788 -2.967 50 HB3 LEU 6 1HB LEU 6 2.836 6.199 -2.586 51 HG LEU 6 HG LEU 6 0.560 7.152 -1.638 52 HD11 LEU 6 1HD1 LEU 6 -0.916 5.470 -0.621 53 HD12 LEU 6 2HD1 LEU 6 -0.029 4.181 -1.441 54 HD13 LEU 6 3HD1 LEU 6 -0.929 5.374 -2.380 55 HD21 LEU 6 1HD2 LEU 6 2.153 5.060 -0.125 56 HD22 LEU 6 2HD2 LEU 6 1.116 6.297 0.594 57 HD23 LEU 6 3HD2 LEU 6 2.562 6.769 -0.293 58 H ILE 7 H ILE 7 -0.847 7.531 -3.739 59 HA ILE 7 HA ILE 7 -2.604 5.580 -4.780 60 HB ILE 7 HB ILE 7 -3.019 8.592 -4.558 61 HG12 ILE 7 2HG1 ILE 7 -4.070 6.477 -2.629 62 HG13 ILE 7 1HG1 ILE 7 -2.514 7.261 -2.395 63 HG21 ILE 7 1HG2 ILE 7 -4.621 7.596 -6.157 64 HG22 ILE 7 2HG2 ILE 7 -5.451 8.117 -4.687 65 HG23 ILE 7 3HG2 ILE 7 -5.109 6.405 -4.945 66 HD11 ILE 7 1HD1 ILE 7 -5.191 8.653 -2.476 67 HD12 ILE 7 2HD1 ILE 7 -3.625 9.439 -2.241 68 HD13 ILE 7 3HD1 ILE 7 -4.230 8.297 -1.041 69 H ASN 8 H ASN 8 -1.471 8.673 -6.194 70 HA ASN 8 HA ASN 8 -2.682 8.529 -8.691 71 HB2 ASN 8 2HB ASN 8 -1.594 10.561 -7.774 72 HB3 ASN 8 1HB ASN 8 -0.011 9.822 -7.983 73 HD21 ASN 8 1HD2 ASN 8 0.873 9.687 -10.078 74 HD22 ASN 8 2HD2 ASN 8 0.201 10.543 -11.420 75 H HIS 9 H HIS 9 0.296 7.090 -7.571 76 HA HIS 9 HA HIS 9 1.587 6.486 -9.960 77 HB2 HIS 9 2HB HIS 9 2.606 6.327 -7.685 78 HB3 HIS 9 1HB HIS 9 1.647 4.890 -7.360 79 HD1 HIS 9 HD1 HIS 9 4.938 5.747 -8.270 80 HD2 HIS 9 HD2 HIS 9 2.305 2.826 -9.549 81 HE1 HIS 9 HE1 HIS 9 6.359 4.038 -9.413 82 HE2 HIS 9 HE2 HIS 9 4.767 2.160 -9.921 83 H ILE 10 H ILE 10 -0.370 4.196 -7.973 84 HA ILE 10 HA ILE 10 -0.558 2.355 -10.210 85 HB ILE 10 HB ILE 10 -2.019 1.000 -8.574 86 HG12 ILE 10 2HG1 ILE 10 -1.423 1.499 -6.105 87 HG13 ILE 10 1HG1 ILE 10 -0.956 3.099 -6.630 88 HG21 ILE 10 1HG2 ILE 10 0.911 1.447 -7.924 89 HG22 ILE 10 2HG2 ILE 10 0.255 0.360 -9.148 90 HG23 ILE 10 3HG2 ILE 10 -0.044 0.039 -7.442 91 HD11 ILE 10 1HD1 ILE 10 -3.152 3.106 -5.654 92 HD12 ILE 10 2HD1 ILE 10 -3.707 1.889 -6.803 93 HD13 ILE 10 3HD1 ILE 10 -3.253 3.497 -7.371 94 H ALA 11 H ALA 11 -2.584 4.818 -8.802 95 HA ALA 11 HA ALA 11 -5.107 4.280 -9.822 96 HB1 ALA 11 1HB ALA 11 -4.636 6.203 -8.357 97 HB2 ALA 11 2HB ALA 11 -5.492 6.713 -9.814 98 HB3 ALA 11 3HB ALA 11 -3.754 6.995 -9.661 99 H THR 12 H THR 12 -2.172 5.175 -11.485 100 HA THR 12 HA THR 12 -3.154 6.072 -13.967 101 HB THR 12 HB THR 12 -0.601 4.484 -13.454 102 HG1 THR 12 HG1 THR 12 -0.452 6.225 -12.128 103 HG21 THR 12 1HG2 THR 12 -1.127 4.769 -15.876 104 HG22 THR 12 2HG2 THR 12 0.315 5.671 -15.398 105 HG23 THR 12 3HG2 THR 12 -1.217 6.516 -15.632 106 H GLN 13 H GLN 13 -2.304 2.814 -12.811 107 HA GLN 13 HA GLN 13 -3.200 1.565 -15.330 108 HB2 GLN 13 2HB GLN 13 -1.997 -0.428 -14.569 109 HB3 GLN 13 1HB GLN 13 -0.947 0.981 -14.504 110 HG2 GLN 13 2HG GLN 13 -1.370 1.132 -12.042 111 HG3 GLN 13 1HG GLN 13 -2.305 -0.360 -12.142 112 HE21 GLN 13 1HE2 GLN 13 0.122 0.172 -10.615 113 HE22 GLN 13 2HE2 GLN 13 1.294 -0.976 -11.139 114 H PHE 14 H PHE 14 -4.381 2.172 -12.223 115 HA PHE 14 HA PHE 14 -6.209 -0.134 -12.193 116 HB2 PHE 14 2HB PHE 14 -4.868 1.477 -10.039 117 HB3 PHE 14 1HB PHE 14 -6.529 1.010 -9.688 118 HD1 PHE 14 HD1 PHE 14 -5.579 -0.300 -7.736 119 HD2 PHE 14 HD2 PHE 14 -4.605 -1.268 -11.803 120 HE1 PHE 14 HE1 PHE 14 -4.883 -2.549 -7.070 121 HE2 PHE 14 HE2 PHE 14 -3.921 -3.500 -11.096 122 HZ PHE 14 HZ PHE 14 -4.061 -4.146 -8.736 123 H LEU 15 H LEU 15 -6.144 3.372 -12.276 124 HA LEU 15 HA LEU 15 -9.122 3.448 -12.404 125 HB2 LEU 15 2HB LEU 15 -7.359 5.581 -11.140 126 HB3 LEU 15 1HB LEU 15 -9.115 5.510 -11.127 127 HG LEU 15 HG LEU 15 -7.253 3.616 -9.630 128 HD11 LEU 15 1HD1 LEU 15 -8.990 5.852 -8.532 129 HD12 LEU 15 2HD1 LEU 15 -7.235 5.888 -8.721 130 HD13 LEU 15 3HD1 LEU 15 -7.969 4.739 -7.615 131 HD21 LEU 15 1HD2 LEU 15 -9.289 2.771 -8.517 132 HD22 LEU 15 2HD2 LEU 15 -9.333 2.466 -10.248 133 HD23 LEU 15 3HD2 LEU 15 -10.303 3.773 -9.562 134 H ASP 16 H ASP 16 -6.751 3.575 -14.446 135 HA ASP 16 HA ASP 16 -6.565 4.372 -16.575 136 HB2 ASP 16 2HB ASP 16 -9.146 4.370 -16.446 137 HB3 ASP 16 1HB ASP 16 -9.049 6.076 -16.073 138 H GLY 17 H GLY 17 -5.571 5.899 -14.101 139 HA2 GLY 17 2HA GLY 17 -4.053 7.672 -13.947 140 HA3 GLY 17 1HA GLY 17 -4.627 8.310 -15.476 141 H GLU 18 H GLU 18 -7.123 7.505 -13.269 142 HA GLU 18 HA GLU 18 -7.498 10.349 -12.513 143 HB2 GLU 18 2HB GLU 18 -9.784 10.078 -12.771 144 HB3 GLU 18 1HB GLU 18 -9.297 8.764 -13.840 145 HG2 GLU 18 2HG GLU 18 -9.607 7.171 -11.930 146 HG3 GLU 18 1HG GLU 18 -10.208 8.508 -10.954 147 H LYS 19 H LYS 19 -7.797 10.860 -10.316 148 HA LYS 19 HA LYS 19 -7.473 8.664 -8.343 149 HB2 LYS 19 2HB LYS 19 -7.150 11.650 -7.899 150 HB3 LYS 19 1HB LYS 19 -6.854 10.367 -6.722 151 HG2 LYS 19 2HG LYS 19 -5.114 9.475 -8.434 152 HG3 LYS 19 1HG LYS 19 -5.240 11.070 -9.176 153 HD2 LYS 19 2HD LYS 19 -4.553 10.605 -6.262 154 HD3 LYS 19 1HD LYS 19 -3.344 10.779 -7.529 155 HE2 LYS 19 2HE LYS 19 -3.516 12.913 -6.464 156 HE3 LYS 19 1HE LYS 19 -4.335 13.075 -8.016 157 HZ1 LYS 19 1HZ LYS 19 -6.442 12.897 -6.913 158 HZ2 LYS 19 2HZ LYS 19 -5.534 14.097 -6.158 159 HZ3 LYS 19 3HZ LYS 19 -5.703 12.588 -5.424 160 H ASP 20 H ASP 20 -9.485 7.918 -7.988 161 HA ASP 20 HA ASP 20 -11.470 9.625 -6.769 162 HB2 ASP 20 2HB ASP 20 -11.854 10.070 -9.209 163 HB3 ASP 20 1HB ASP 20 -12.141 8.351 -9.467 164 H GLY 21 H GLY 21 -12.182 8.427 -5.145 165 HA2 GLY 21 2HA GLY 21 -13.416 6.727 -4.145 166 HA3 GLY 21 1HA GLY 21 -13.216 5.731 -5.579 167 H LEU 22 H LEU 22 -10.191 6.755 -5.092 168 HA LEU 22 HA LEU 22 -9.419 4.624 -3.181 169 HB2 LEU 22 2HB LEU 22 -9.028 4.076 -5.672 170 HB3 LEU 22 1HB LEU 22 -7.908 5.416 -5.706 171 HG LEU 22 HG LEU 22 -6.418 4.271 -4.107 172 HD11 LEU 22 1HD1 LEU 22 -6.829 1.943 -3.407 173 HD12 LEU 22 2HD1 LEU 22 -8.427 1.997 -4.152 174 HD13 LEU 22 3HD1 LEU 22 -8.059 3.039 -2.778 175 HD21 LEU 22 1HD2 LEU 22 -5.672 2.430 -5.572 176 HD22 LEU 22 2HD2 LEU 22 -6.070 3.876 -6.497 177 HD23 LEU 22 3HD2 LEU 22 -7.196 2.515 -6.461 178 H ASP 23 H ASP 23 -8.800 5.805 -1.482 179 HA ASP 23 HA ASP 23 -6.696 7.848 -1.731 180 HB2 ASP 23 2HB ASP 23 -9.167 8.129 0.062 181 HB3 ASP 23 1HB ASP 23 -7.782 9.216 0.068 182 H SER 24 H SER 24 -6.016 8.415 0.685 183 HA SER 24 HA SER 24 -4.849 6.128 1.874 184 HB2 SER 24 2HB SER 24 -4.185 7.769 3.689 185 HB3 SER 24 1HB SER 24 -3.777 8.313 2.060 186 HG SER 24 HG SER 24 -5.218 9.586 3.852 187 H GLN 25 H GLN 25 -7.679 8.093 2.676 188 HA GLN 25 HA GLN 25 -8.296 6.693 5.135 189 HB2 GLN 25 2HB GLN 25 -9.885 8.800 3.641 190 HB3 GLN 25 1HB GLN 25 -10.219 8.215 5.265 191 HG2 GLN 25 2HG GLN 25 -7.920 9.924 4.321 192 HG3 GLN 25 1HG GLN 25 -9.106 10.267 5.570 193 HE21 GLN 25 1HE2 GLN 25 -8.896 9.196 7.628 194 HE22 GLN 25 2HE2 GLN 25 -7.369 8.562 8.133 195 H THR 26 H THR 26 -8.866 6.070 1.896 196 HA THR 26 HA THR 26 -11.481 4.972 1.963 197 HB THR 26 HB THR 26 -9.220 4.515 -0.013 198 HG1 THR 26 HG1 THR 26 -11.509 6.154 -0.352 199 HG21 THR 26 1HG2 THR 26 -11.016 3.803 -1.589 200 HG22 THR 26 2HG2 THR 26 -12.193 3.886 -0.268 201 HG23 THR 26 3HG2 THR 26 -10.884 2.706 -0.212 202 HA PRO 27 HA PRO 27 -10.340 0.825 3.516 203 HB2 PRO 27 2HB PRO 27 -12.761 -0.354 3.210 204 HB3 PRO 27 1HB PRO 27 -12.460 0.828 4.509 205 HG2 PRO 27 2HG PRO 27 -13.839 1.239 1.870 206 HG3 PRO 27 1HG PRO 27 -14.300 1.841 3.472 207 HD2 PRO 27 2HD PRO 27 -12.977 3.369 1.629 208 HD3 PRO 27 1HD PRO 27 -12.833 3.625 3.377 209 H LEU 28 H LEU 28 -8.987 -0.150 2.072 210 HA LEU 28 HA LEU 28 -9.482 -0.250 -0.746 211 HB2 LEU 28 2HB LEU 28 -7.293 -1.736 0.751 212 HB3 LEU 28 1HB LEU 28 -7.284 -1.230 -0.932 213 HG LEU 28 HG LEU 28 -7.010 0.550 1.523 214 HD11 LEU 28 1HD1 LEU 28 -5.058 -0.049 -0.714 215 HD12 LEU 28 2HD1 LEU 28 -4.960 -0.593 0.961 216 HD13 LEU 28 3HD1 LEU 28 -4.804 1.118 0.587 217 HD21 LEU 28 1HD2 LEU 28 -6.785 2.478 -0.005 218 HD22 LEU 28 2HD2 LEU 28 -8.391 1.760 -0.074 219 HD23 LEU 28 3HD2 LEU 28 -7.230 1.445 -1.366 220 H PHE 29 H PHE 29 -9.820 -2.537 1.891 221 HA PHE 29 HA PHE 29 -10.320 -4.824 0.148 222 HB2 PHE 29 2HB PHE 29 -9.634 -4.465 3.016 223 HB3 PHE 29 1HB PHE 29 -10.821 -5.736 2.745 224 HD1 PHE 29 HD1 PHE 29 -7.963 -4.700 0.563 225 HD2 PHE 29 HD2 PHE 29 -9.590 -7.729 3.115 226 HE1 PHE 29 HE1 PHE 29 -6.190 -6.223 -0.098 227 HE2 PHE 29 HE2 PHE 29 -7.793 -9.255 2.427 228 HZ PHE 29 HZ PHE 29 -6.097 -8.509 0.816 229 H GLU 30 H GLU 30 -12.191 -2.669 2.249 230 HA GLU 30 HA GLU 30 -14.651 -4.098 2.195 231 HB2 GLU 30 2HB GLU 30 -14.282 -2.261 3.782 232 HB3 GLU 30 1HB GLU 30 -14.081 -1.119 2.464 233 HG2 GLU 30 2HG GLU 30 -16.241 -0.757 3.453 234 HG3 GLU 30 1HG GLU 30 -16.480 -1.446 1.849 235 H LEU 31 H LEU 31 -13.227 -1.708 -0.003 236 HA LEU 31 HA LEU 31 -15.488 -1.877 -1.871 237 HB2 LEU 31 2HB LEU 31 -12.930 -0.259 -2.087 238 HB3 LEU 31 1HB LEU 31 -14.365 -0.088 -3.091 239 HG LEU 31 HG LEU 31 -14.052 0.657 -0.164 240 HD11 LEU 31 1HD1 LEU 31 -13.151 2.277 -1.752 241 HD12 LEU 31 2HD1 LEU 31 -14.551 2.924 -0.900 242 HD13 LEU 31 3HD1 LEU 31 -14.713 2.374 -2.571 243 HD21 LEU 31 1HD2 LEU 31 -16.421 1.383 -0.180 244 HD22 LEU 31 2HD2 LEU 31 -16.261 -0.357 -0.389 245 HD23 LEU 31 3HD2 LEU 31 -16.631 0.664 -1.781 246 H ASN 32 H ASN 32 -12.346 -3.221 -1.383 247 HA ASN 32 HA ASN 32 -11.082 -4.769 -2.456 248 HB2 ASN 32 2HB ASN 32 -13.598 -5.301 -4.111 249 HB3 ASN 32 1HB ASN 32 -12.185 -6.349 -4.069 250 HD21 ASN 32 1HD2 ASN 32 -15.013 -5.286 -2.358 251 HD22 ASN 32 2HD2 ASN 32 -14.961 -6.479 -1.113 252 H ILE 33 H ILE 33 -10.659 -2.170 -3.277 253 HA ILE 33 HA ILE 33 -10.731 -1.956 -6.173 254 HB ILE 33 HB ILE 33 -9.312 -0.164 -4.164 255 HG12 ILE 33 2HG1 ILE 33 -12.068 0.142 -5.450 256 HG13 ILE 33 1HG1 ILE 33 -11.777 -0.305 -3.774 257 HG21 ILE 33 1HG2 ILE 33 -8.397 0.103 -6.447 258 HG22 ILE 33 2HG2 ILE 33 -9.315 1.538 -5.987 259 HG23 ILE 33 3HG2 ILE 33 -10.025 0.354 -7.086 260 HD11 ILE 33 1HD1 ILE 33 -12.422 2.004 -3.961 261 HD12 ILE 33 2HD1 ILE 33 -11.084 2.326 -5.061 262 HD13 ILE 33 3HD1 ILE 33 -10.762 1.889 -3.382 263 H VAL 34 H VAL 34 -8.073 -2.281 -3.754 264 HA VAL 34 HA VAL 34 -6.116 -2.486 -5.908 265 HB VAL 34 HB VAL 34 -5.599 -1.142 -3.856 266 HG11 VAL 34 1HG1 VAL 34 -5.352 -3.822 -2.434 267 HG12 VAL 34 2HG1 VAL 34 -6.598 -2.601 -2.135 268 HG13 VAL 34 3HG1 VAL 34 -4.910 -2.246 -1.762 269 HG21 VAL 34 1HG2 VAL 34 -3.224 -1.878 -3.638 270 HG22 VAL 34 2HG2 VAL 34 -3.765 -1.875 -5.319 271 HG23 VAL 34 3HG2 VAL 34 -3.633 -3.401 -4.443 272 H ASP 35 H ASP 35 -4.887 -4.296 -6.401 273 HA ASP 35 HA ASP 35 -5.906 -6.899 -5.460 274 HB2 ASP 35 2HB ASP 35 -4.186 -6.203 -7.873 275 HB3 ASP 35 1HB ASP 35 -4.704 -7.830 -7.454 276 H SER 36 H SER 36 -4.396 -8.605 -5.161 277 HA SER 36 HA SER 36 -2.221 -8.298 -3.458 278 HB2 SER 36 2HB SER 36 -3.162 -10.424 -3.442 279 HB3 SER 36 1HB SER 36 -3.363 -10.480 -5.190 280 H ALA 37 H ALA 37 -2.305 -8.671 -6.977 281 HA ALA 37 HA ALA 37 0.452 -8.822 -7.501 282 HB1 ALA 37 1HB ALA 37 -1.769 -7.829 -9.317 283 HB2 ALA 37 2HB ALA 37 -1.280 -9.512 -9.104 284 HB3 ALA 37 3HB ALA 37 -0.165 -8.357 -9.837 285 H ALA 38 H ALA 38 -1.547 -6.018 -6.796 286 HA ALA 38 HA ALA 38 0.227 -4.072 -8.055 287 HB1 ALA 38 1HB ALA 38 -2.195 -3.669 -8.023 288 HB2 ALA 38 2HB ALA 38 -1.339 -2.382 -7.176 289 HB3 ALA 38 3HB ALA 38 -2.185 -3.635 -6.263 290 H ILE 39 H ILE 39 -0.143 -5.556 -4.945 291 HA ILE 39 HA ILE 39 0.728 -3.489 -3.227 292 HB ILE 39 HB ILE 39 0.816 -6.515 -2.862 293 HG12 ILE 39 2HG1 ILE 39 -1.450 -5.611 -3.287 294 HG13 ILE 39 1HG1 ILE 39 -1.307 -6.249 -1.658 295 HG21 ILE 39 1HG2 ILE 39 2.347 -5.488 -1.246 296 HG22 ILE 39 2HG2 ILE 39 0.918 -6.110 -0.418 297 HG23 ILE 39 3HG2 ILE 39 1.082 -4.377 -0.709 298 HD11 ILE 39 1HD1 ILE 39 -1.247 -3.326 -2.408 299 HD12 ILE 39 2HD1 ILE 39 -1.143 -3.987 -0.770 300 HD13 ILE 39 3HD1 ILE 39 -2.610 -4.210 -1.720 301 H PHE 40 H PHE 40 2.522 -5.771 -5.186 302 HA PHE 40 HA PHE 40 5.094 -5.583 -4.048 303 HB2 PHE 40 2HB PHE 40 4.429 -7.303 -5.731 304 HB3 PHE 40 1HB PHE 40 4.347 -6.058 -6.970 305 HD1 PHE 40 HD1 PHE 40 6.757 -7.521 -4.482 306 HD2 PHE 40 HD2 PHE 40 6.275 -5.711 -8.335 307 HE1 PHE 40 HE1 PHE 40 9.142 -7.878 -4.952 308 HE2 PHE 40 HE2 PHE 40 8.664 -6.073 -8.794 309 HZ PHE 40 HZ PHE 40 10.102 -7.156 -7.107 310 H ASP 41 H ASP 41 3.319 -3.408 -6.119 311 HA ASP 41 HA ASP 41 5.559 -1.669 -6.710 312 HB2 ASP 41 2HB ASP 41 3.570 -1.918 -8.241 313 HB3 ASP 41 1HB ASP 41 2.557 -1.171 -7.011 314 H LEU 42 H LEU 42 2.691 -1.609 -4.582 315 HA LEU 42 HA LEU 42 3.019 0.925 -3.435 316 HB2 LEU 42 2HB LEU 42 1.545 -1.542 -2.492 317 HB3 LEU 42 1HB LEU 42 1.640 -0.134 -1.454 318 HG LEU 42 HG LEU 42 0.529 1.224 -3.270 319 HD11 LEU 42 1HD1 LEU 42 0.058 -1.439 -4.622 320 HD12 LEU 42 2HD1 LEU 42 1.069 -0.125 -5.224 321 HD13 LEU 42 3HD1 LEU 42 -0.673 0.103 -5.084 322 HD21 LEU 42 1HD2 LEU 42 -0.770 0.396 -1.372 323 HD22 LEU 42 2HD2 LEU 42 -1.076 -1.126 -2.208 324 HD23 LEU 42 3HD2 LEU 42 -1.749 0.378 -2.840 325 H VAL 43 H VAL 43 4.543 -2.138 -2.542 326 HA VAL 43 HA VAL 43 5.408 -1.359 0.041 327 HB VAL 43 HB VAL 43 7.107 -3.196 -0.072 328 HG11 VAL 43 1HG1 VAL 43 5.473 -5.015 -0.069 329 HG12 VAL 43 2HG1 VAL 43 4.289 -3.965 -0.843 330 HG13 VAL 43 3HG1 VAL 43 4.872 -3.594 0.780 331 HG21 VAL 43 1HG2 VAL 43 7.638 -3.217 -2.483 332 HG22 VAL 43 2HG2 VAL 43 5.999 -3.750 -2.856 333 HG23 VAL 43 3HG2 VAL 43 7.086 -4.810 -1.956 334 H ASP 44 H ASP 44 7.182 -1.320 -3.118 335 HA ASP 44 HA ASP 44 9.598 -0.415 -1.945 336 HB2 ASP 44 2HB ASP 44 8.640 -0.312 -4.847 337 HB3 ASP 44 1HB ASP 44 10.263 0.182 -4.359 338 H PHE 45 H PHE 45 6.727 1.324 -2.807 339 HA PHE 45 HA PHE 45 7.886 3.951 -2.715 340 HB2 PHE 45 2HB PHE 45 5.604 3.271 -3.747 341 HB3 PHE 45 1HB PHE 45 4.979 3.285 -2.100 342 HD1 PHE 45 HD1 PHE 45 5.712 5.302 -4.993 343 HD2 PHE 45 HD2 PHE 45 5.243 5.523 -0.749 344 HE1 PHE 45 HE1 PHE 45 5.362 7.730 -5.154 345 HE2 PHE 45 HE2 PHE 45 4.884 7.943 -0.921 346 HZ PHE 45 HZ PHE 45 4.941 9.053 -3.121 347 H LEU 46 H LEU 46 6.047 1.953 -0.301 348 HA LEU 46 HA LEU 46 6.263 3.761 1.890 349 HB2 LEU 46 2HB LEU 46 5.969 0.732 1.980 350 HB3 LEU 46 1HB LEU 46 5.709 1.807 3.342 351 HG LEU 46 HG LEU 46 3.970 1.473 0.870 352 HD11 LEU 46 1HD1 LEU 46 3.372 1.054 3.819 353 HD12 LEU 46 2HD1 LEU 46 3.648 -0.206 2.615 354 HD13 LEU 46 3HD1 LEU 46 2.235 0.834 2.485 355 HD21 LEU 46 1HD2 LEU 46 4.058 3.879 1.349 356 HD22 LEU 46 2HD2 LEU 46 3.613 3.575 3.029 357 HD23 LEU 46 3HD2 LEU 46 2.472 3.211 1.732 358 H ARG 47 H ARG 47 8.432 1.279 0.697 359 HA ARG 47 HA ARG 47 10.187 1.346 3.017 360 HB2 ARG 47 2HB ARG 47 10.222 -0.265 0.436 361 HB3 ARG 47 1HB ARG 47 11.607 -0.255 1.522 362 HG2 ARG 47 2HG ARG 47 10.366 -2.206 2.081 363 HG3 ARG 47 1HG ARG 47 10.052 -1.043 3.367 364 HD2 ARG 47 2HD ARG 47 7.954 -0.444 1.836 365 HD3 ARG 47 1HD ARG 47 8.227 -2.064 1.223 366 HE ARG 47 HE ARG 47 7.455 -2.954 3.185 367 HH11 ARG 47 1HH1 ARG 47 7.961 0.496 3.706 368 HH12 ARG 47 2HH1 ARG 47 7.122 0.517 5.220 369 HH21 ARG 47 1HH2 ARG 47 6.272 -2.897 5.125 370 HH22 ARG 47 2HH2 ARG 47 6.156 -1.424 6.030 371 H GLN 48 H GLN 48 9.945 2.844 -0.105 372 HA GLN 48 HA GLN 48 12.494 4.136 -0.135 373 HB2 GLN 48 2HB GLN 48 11.247 4.013 -2.177 374 HB3 GLN 48 1HB GLN 48 9.836 4.763 -1.453 375 HG2 GLN 48 2HG GLN 48 12.381 6.345 -1.588 376 HG3 GLN 48 1HG GLN 48 11.468 6.103 -3.057 377 HE21 GLN 48 1HE2 GLN 48 8.852 6.188 -1.562 378 HE22 GLN 48 2HE2 GLN 48 8.611 7.851 -1.163 379 H GLU 49 H GLU 49 9.333 4.890 1.298 380 HA GLU 49 HA GLU 49 10.004 7.497 2.282 381 HB2 GLU 49 2HB GLU 49 7.862 5.512 3.168 382 HB3 GLU 49 1HB GLU 49 7.970 7.174 3.746 383 HG2 GLU 49 2HG GLU 49 7.594 8.002 1.463 384 HG3 GLU 49 1HG GLU 49 7.498 6.345 0.866 385 H SER 50 H SER 50 9.717 4.327 3.807 386 HA SER 50 HA SER 50 10.698 5.203 6.381 387 HB2 SER 50 2HB SER 50 9.962 2.431 5.364 388 HB3 SER 50 1HB SER 50 10.224 2.870 7.052 389 HG SER 50 HG SER 50 8.368 4.381 5.620 390 H LYS 51 H LYS 51 12.208 4.140 3.558 391 HA LYS 51 HA LYS 51 14.287 3.598 2.928 392 HB2 LYS 51 2HB LYS 51 15.106 4.662 5.664 393 HB3 LYS 51 1HB LYS 51 16.187 4.432 4.296 394 HG2 LYS 51 2HG LYS 51 13.888 6.410 4.471 395 HG3 LYS 51 1HG LYS 51 15.606 6.792 4.515 396 HD2 LYS 51 2HD LYS 51 14.129 5.571 2.155 397 HD3 LYS 51 1HD LYS 51 14.571 7.268 2.304 398 HE2 LYS 51 2HE LYS 51 16.608 5.020 2.273 399 HE3 LYS 51 1HE LYS 51 16.073 5.867 0.825 400 HZ1 LYS 51 1HZ LYS 51 18.135 6.767 1.703 401 HZ2 LYS 51 2HZ LYS 51 17.375 7.147 3.164 402 HZ3 LYS 51 3HZ LYS 51 16.903 7.924 1.741 403 H VAL 52 H VAL 52 12.679 1.556 4.250 404 HA VAL 52 HA VAL 52 14.743 -0.229 5.435 405 HB VAL 52 HB VAL 52 12.816 -1.501 6.423 406 HG11 VAL 52 1HG1 VAL 52 14.113 0.085 7.781 407 HG12 VAL 52 2HG1 VAL 52 12.425 0.043 8.292 408 HG13 VAL 52 3HG1 VAL 52 13.015 1.389 7.315 409 HG21 VAL 52 1HG2 VAL 52 10.584 -0.408 6.604 410 HG22 VAL 52 2HG2 VAL 52 10.986 -0.813 4.936 411 HG23 VAL 52 3HG2 VAL 52 11.129 0.855 5.496 412 H SER 53 H SER 53 14.372 -2.575 4.955 413 HA SER 53 HA SER 53 13.065 -3.106 2.342 414 HB2 SER 53 2HB SER 53 15.083 -4.835 3.829 415 HB3 SER 53 1HB SER 53 14.435 -5.116 2.209 416 HG SER 53 HG SER 53 15.365 -2.940 1.743 417 H ILE 54 H ILE 54 11.692 -4.963 2.163 418 HA ILE 54 HA ILE 54 10.679 -6.184 4.658 419 HB ILE 54 HB ILE 54 9.104 -4.391 3.984 420 HG12 ILE 54 2HG1 ILE 54 7.928 -7.173 3.509 421 HG13 ILE 54 1HG1 ILE 54 8.174 -6.424 5.082 422 HG21 ILE 54 1HG2 ILE 54 9.568 -4.303 1.577 423 HG22 ILE 54 2HG2 ILE 54 7.838 -4.486 1.867 424 HG23 ILE 54 3HG2 ILE 54 8.793 -5.875 1.352 425 HD11 ILE 54 1HD1 ILE 54 5.854 -6.337 4.416 426 HD12 ILE 54 2HD1 ILE 54 6.273 -5.477 2.938 427 HD13 ILE 54 3HD1 ILE 54 6.515 -4.703 4.509 428 H GLY 55 H GLY 55 9.943 -8.356 4.421 429 HA2 GLY 55 2HA GLY 55 10.907 -9.820 2.076 430 HA3 GLY 55 1HA GLY 55 10.351 -10.513 3.591 431 H MET 56 H MET 56 9.597 -11.302 0.880 432 HA MET 56 HA MET 56 7.173 -10.258 -0.069 433 HB2 MET 56 2HB MET 56 8.181 -13.109 -0.429 434 HB3 MET 56 1HB MET 56 6.959 -12.317 -1.420 435 HG2 MET 56 2HG MET 56 9.913 -11.687 -1.278 436 HG3 MET 56 1HG MET 56 9.001 -12.317 -2.652 437 HE1 MET 56 1HE MET 56 6.356 -10.396 -2.505 438 HE2 MET 56 2HE MET 56 7.187 -10.822 -4.001 439 HE3 MET 56 3HE MET 56 6.856 -9.133 -3.627 440 H GLN 57 H GLN 57 7.736 -12.487 2.524 441 HA GLN 57 HA GLN 57 5.169 -13.714 2.672 442 HB2 GLN 57 2HB GLN 57 7.316 -14.589 3.711 443 HB3 GLN 57 1HB GLN 57 7.184 -13.321 4.924 444 HG2 GLN 57 2HG GLN 57 6.356 -15.389 5.857 445 HG3 GLN 57 1HG GLN 57 4.993 -14.290 5.641 446 HE21 GLN 57 1HE2 GLN 57 6.556 -17.192 4.450 447 HE22 GLN 57 2HE2 GLN 57 5.211 -17.789 3.544 448 H GLU 58 H GLU 58 6.632 -10.835 4.121 449 HA GLU 58 HA GLU 58 4.297 -10.143 5.719 450 HB2 GLU 58 2HB GLU 58 6.808 -8.487 5.227 451 HB3 GLU 58 1HB GLU 58 5.607 -8.231 6.490 452 HG2 GLU 58 2HG GLU 58 7.570 -10.528 6.258 453 HG3 GLU 58 1HG GLU 58 7.570 -9.245 7.468 454 H ILE 59 H ILE 59 5.547 -9.496 2.558 455 HA ILE 59 HA ILE 59 3.892 -7.202 1.995 456 HB ILE 59 HB ILE 59 5.205 -9.094 -0.008 457 HG12 ILE 59 2HG1 ILE 59 6.274 -6.457 1.105 458 HG13 ILE 59 1HG1 ILE 59 6.909 -8.054 1.478 459 HG21 ILE 59 1HG2 ILE 59 4.070 -6.296 -0.328 460 HG22 ILE 59 2HG2 ILE 59 3.402 -7.783 -0.995 461 HG23 ILE 59 3HG2 ILE 59 4.950 -7.176 -1.582 462 HD11 ILE 59 1HD1 ILE 59 7.571 -8.333 -0.864 463 HD12 ILE 59 2HD1 ILE 59 8.304 -6.913 -0.122 464 HD13 ILE 59 3HD1 ILE 59 6.941 -6.720 -1.224 465 H HIS 60 H HIS 60 1.802 -7.950 2.690 466 HA HIS 60 HA HIS 60 0.440 -9.339 0.498 467 HB2 HIS 60 2HB HIS 60 0.765 -10.549 3.118 468 HB3 HIS 60 1HB HIS 60 -0.937 -10.145 2.928 469 HD1 HIS 60 HD1 HIS 60 1.750 -11.838 0.784 470 HD2 HIS 60 HD2 HIS 60 -2.314 -12.111 1.645 471 HE1 HIS 60 HE1 HIS 60 0.924 -13.831 -0.508 472 HE2 HIS 60 HE2 HIS 60 -1.537 -13.957 0.008 473 HA PRO 61 HA PRO 61 -2.370 -5.866 0.858 474 HB2 PRO 61 2HB PRO 61 -4.651 -6.990 -0.244 475 HB3 PRO 61 1HB PRO 61 -3.264 -6.456 -1.209 476 HG2 PRO 61 2HG PRO 61 -3.935 -9.218 -0.261 477 HG3 PRO 61 1HG PRO 61 -3.406 -8.681 -1.869 478 HD2 PRO 61 2HD PRO 61 -1.669 -9.799 -0.150 479 HD3 PRO 61 1HD PRO 61 -1.166 -8.460 -1.206 480 H ALA 62 H ALA 62 -2.947 -8.920 2.415 481 HA ALA 62 HA ALA 62 -5.126 -8.371 4.079 482 HB1 ALA 62 1HB ALA 62 -2.624 -9.980 4.730 483 HB2 ALA 62 2HB ALA 62 -4.069 -10.599 3.929 484 HB3 ALA 62 3HB ALA 62 -4.157 -10.063 5.608 485 H ASN 63 H ASN 63 -1.752 -7.373 4.281 486 HA ASN 63 HA ASN 63 -2.080 -5.910 6.798 487 HB2 ASN 63 2HB ASN 63 0.356 -6.198 4.980 488 HB3 ASN 63 1HB ASN 63 0.352 -5.445 6.576 489 HD21 ASN 63 1HD2 ASN 63 1.955 -7.694 5.704 490 HD22 ASN 63 2HD2 ASN 63 1.543 -9.025 6.724 491 H PHE 64 H PHE 64 -1.980 -5.345 3.350 492 HA PHE 64 HA PHE 64 -1.939 -2.410 3.639 493 HB2 PHE 64 2HB PHE 64 -1.791 -4.236 1.196 494 HB3 PHE 64 1HB PHE 64 -1.849 -2.479 1.098 495 HD1 PHE 64 HD1 PHE 64 0.149 -5.227 2.667 496 HD2 PHE 64 HD2 PHE 64 0.188 -1.302 0.997 497 HE1 PHE 64 HE1 PHE 64 2.581 -5.194 2.827 498 HE2 PHE 64 HE2 PHE 64 2.630 -1.271 1.182 499 HZ PHE 64 HZ PHE 64 3.827 -3.212 2.096 500 H ALA 65 H ALA 65 -4.238 -4.222 4.422 501 HA ALA 65 HA ALA 65 -6.430 -4.078 2.686 502 HB1 ALA 65 1HB ALA 65 -7.803 -4.496 4.687 503 HB2 ALA 65 2HB ALA 65 -6.451 -4.042 5.729 504 HB3 ALA 65 3HB ALA 65 -6.340 -5.487 4.722 505 H THR 66 H THR 66 -5.109 -1.729 4.921 506 HA THR 66 HA THR 66 -6.476 0.476 3.608 507 HB THR 66 HB THR 66 -6.936 1.573 5.910 508 HG1 THR 66 HG1 THR 66 -6.715 -1.135 6.766 509 HG21 THR 66 1HG2 THR 66 -8.837 0.772 4.557 510 HG22 THR 66 2HG2 THR 66 -9.128 0.520 6.279 511 HG23 THR 66 3HG2 THR 66 -8.660 -0.839 5.255 512 H VAL 67 H VAL 67 -5.420 2.593 4.390 513 HA VAL 67 HA VAL 67 -2.575 2.297 4.499 514 HB VAL 67 HB VAL 67 -4.345 4.756 4.651 515 HG11 VAL 67 1HG1 VAL 67 -2.293 6.153 4.354 516 HG12 VAL 67 2HG1 VAL 67 -1.297 4.718 4.605 517 HG13 VAL 67 3HG1 VAL 67 -2.310 5.325 5.915 518 HG21 VAL 67 1HG2 VAL 67 -4.289 3.620 2.476 519 HG22 VAL 67 2HG2 VAL 67 -2.523 3.655 2.472 520 HG23 VAL 67 3HG2 VAL 67 -3.435 5.160 2.364 521 H GLN 68 H GLN 68 -5.046 2.849 6.971 522 HA GLN 68 HA GLN 68 -3.275 3.470 9.111 523 HB2 GLN 68 2HB GLN 68 -5.087 2.869 10.642 524 HB3 GLN 68 1HB GLN 68 -5.731 3.813 9.304 525 HG2 GLN 68 2HG GLN 68 -6.608 1.772 8.259 526 HG3 GLN 68 1HG GLN 68 -5.928 0.794 9.558 527 HE21 GLN 68 1HE2 GLN 68 -8.005 -0.036 10.071 528 HE22 GLN 68 2HE2 GLN 68 -9.183 0.922 10.895 529 H SER 69 H SER 69 -4.345 0.391 7.695 530 HA SER 69 HA SER 69 -3.121 -1.329 9.626 531 HB2 SER 69 2HB SER 69 -3.989 -1.913 6.764 532 HB3 SER 69 1HB SER 69 -3.583 -3.131 7.971 533 HG SER 69 HG SER 69 -5.374 -2.555 9.138 534 H MET 70 H MET 70 -2.124 -0.076 6.423 535 HA MET 70 HA MET 70 0.215 -1.739 6.216 536 HB2 MET 70 2HB MET 70 0.578 -0.801 4.084 537 HB3 MET 70 1HB MET 70 -1.174 -0.772 4.257 538 HG2 MET 70 2HG MET 70 -1.093 1.620 4.770 539 HG3 MET 70 1HG MET 70 0.663 1.605 4.660 540 HE1 MET 70 1HE MET 70 -1.952 -0.289 2.310 541 HE2 MET 70 2HE MET 70 -2.127 0.903 1.020 542 HE3 MET 70 3HE MET 70 -2.728 1.266 2.638 543 H VAL 71 H VAL 71 -0.447 1.512 7.388 544 HA VAL 71 HA VAL 71 2.218 2.502 7.545 545 HB VAL 71 HB VAL 71 -0.195 3.692 7.913 546 HG11 VAL 71 1HG1 VAL 71 0.708 3.445 10.774 547 HG12 VAL 71 2HG1 VAL 71 -0.713 2.680 10.070 548 HG13 VAL 71 3HG1 VAL 71 -0.629 4.441 10.184 549 HG21 VAL 71 1HG2 VAL 71 0.973 5.740 8.675 550 HG22 VAL 71 2HG2 VAL 71 1.895 4.898 7.428 551 HG23 VAL 71 3HG2 VAL 71 2.377 4.765 9.120 552 H ALA 72 H ALA 72 0.235 0.525 9.555 553 HA ALA 72 HA ALA 72 1.853 0.719 11.941 554 HB1 ALA 72 1HB ALA 72 -0.617 0.704 11.983 555 HB2 ALA 72 2HB ALA 72 0.082 -0.609 12.947 556 HB3 ALA 72 3HB ALA 72 -0.606 -0.947 11.354 557 H LEU 73 H LEU 73 1.347 -1.513 9.275 558 HA LEU 73 HA LEU 73 2.768 -3.766 10.165 559 HB2 LEU 73 2HB LEU 73 1.566 -4.134 8.192 560 HB3 LEU 73 1HB LEU 73 1.944 -2.549 7.544 561 HG LEU 73 HG LEU 73 4.310 -3.403 7.150 562 HD11 LEU 73 1HD1 LEU 73 4.302 -5.376 8.581 563 HD12 LEU 73 2HD1 LEU 73 4.646 -5.835 6.915 564 HD13 LEU 73 3HD1 LEU 73 3.043 -6.131 7.596 565 HD21 LEU 73 1HD2 LEU 73 2.069 -4.660 5.552 566 HD22 LEU 73 2HD2 LEU 73 3.731 -4.414 5.004 567 HD23 LEU 73 3HD2 LEU 73 2.707 -3.025 5.367 568 H VAL 74 H VAL 74 3.743 -0.741 8.567 569 HA VAL 74 HA VAL 74 6.490 -1.254 8.228 570 HB VAL 74 HB VAL 74 5.216 1.472 8.769 571 HG11 VAL 74 1HG1 VAL 74 7.858 0.773 7.417 572 HG12 VAL 74 2HG1 VAL 74 7.669 1.501 9.013 573 HG13 VAL 74 3HG1 VAL 74 7.183 2.397 7.576 574 HG21 VAL 74 1HG2 VAL 74 5.047 1.753 6.322 575 HG22 VAL 74 2HG2 VAL 74 4.118 0.354 6.853 576 HG23 VAL 74 3HG2 VAL 74 5.677 0.120 6.074 577 H GLN 75 H GLN 75 4.667 0.200 10.897 578 HA GLN 75 HA GLN 75 6.861 0.893 12.563 579 HB2 GLN 75 2HB GLN 75 3.952 0.330 13.282 580 HB3 GLN 75 1HB GLN 75 5.120 1.102 14.354 581 HG2 GLN 75 2HG GLN 75 5.305 3.013 12.814 582 HG3 GLN 75 1HG GLN 75 4.199 2.223 11.685 583 HE21 GLN 75 1HE2 GLN 75 2.021 2.385 12.027 584 HE22 GLN 75 2HE2 GLN 75 1.302 3.285 13.311 585 H ARG 76 H ARG 76 5.121 -2.119 12.102 586 HA ARG 76 HA ARG 76 6.086 -3.492 14.433 587 HB2 ARG 76 2HB ARG 76 4.827 -4.500 11.856 588 HB3 ARG 76 1HB ARG 76 5.238 -5.556 13.206 589 HG2 ARG 76 2HG ARG 76 3.659 -4.411 14.656 590 HG3 ARG 76 1HG ARG 76 3.322 -3.210 13.407 591 HD2 ARG 76 2HD ARG 76 1.523 -4.871 13.548 592 HD3 ARG 76 1HD ARG 76 2.338 -4.956 11.983 593 HE ARG 76 HE ARG 76 3.506 -6.808 13.786 594 HH11 ARG 76 1HH1 ARG 76 0.577 -6.396 11.891 595 HH12 ARG 76 2HH1 ARG 76 0.285 -8.098 11.761 596 HH21 ARG 76 1HH2 ARG 76 3.103 -9.032 13.580 597 HH22 ARG 76 2HH2 ARG 76 1.704 -9.576 12.711 598 H LEU 77 H LEU 77 7.033 -3.520 10.945 599 HA LEU 77 HA LEU 77 9.237 -5.330 11.410 600 HB2 LEU 77 2HB LEU 77 9.838 -4.949 9.029 601 HB3 LEU 77 1HB LEU 77 8.188 -5.473 9.279 602 HG LEU 77 HG LEU 77 7.470 -3.044 8.959 603 HD11 LEU 77 1HD1 LEU 77 10.305 -2.647 7.955 604 HD12 LEU 77 2HD1 LEU 77 9.520 -1.815 9.308 605 HD13 LEU 77 3HD1 LEU 77 8.957 -1.543 7.657 606 HD21 LEU 77 1HD2 LEU 77 8.732 -4.520 6.644 607 HD22 LEU 77 2HD2 LEU 77 7.567 -3.204 6.505 608 HD23 LEU 77 3HD2 LEU 77 7.092 -4.712 7.276 609 H LYS 78 H LYS 78 8.881 -1.929 11.739 610 HA LYS 78 HA LYS 78 11.630 -1.181 11.666 611 HB2 LYS 78 2HB LYS 78 9.230 -0.101 13.182 612 HB3 LYS 78 1HB LYS 78 10.823 0.602 13.356 613 HG2 LYS 78 2HG LYS 78 9.127 0.523 10.855 614 HG3 LYS 78 1HG LYS 78 9.536 1.941 11.827 615 HD2 LYS 78 2HD LYS 78 11.987 1.490 11.222 616 HD3 LYS 78 1HD LYS 78 11.404 0.281 10.070 617 HE2 LYS 78 2HE LYS 78 11.759 2.293 8.836 618 HE3 LYS 78 1HE LYS 78 10.014 2.127 9.016 619 HZ1 LYS 78 1HZ LYS 78 10.743 4.375 9.413 620 HZ2 LYS 78 2HZ LYS 78 11.772 3.868 10.650 621 HZ3 LYS 78 3HZ LYS 78 10.098 3.716 10.825 622 H ALA 79 H ALA 79 9.557 -2.701 14.042 623 HA ALA 79 HA ALA 79 11.606 -2.716 16.145 624 HB1 ALA 79 1HB ALA 79 9.760 -3.504 17.585 625 HB2 ALA 79 2HB ALA 79 8.692 -3.584 16.182 626 HB3 ALA 79 3HB ALA 79 9.313 -2.025 16.731 627 H HIS 80 H HIS 80 11.292 -4.522 13.535 628 HA HIS 80 HA HIS 80 10.598 -7.114 14.100 629 HB2 HIS 80 2HB HIS 80 11.920 -7.787 12.120 630 HB3 HIS 80 1HB HIS 80 10.952 -6.352 11.831 631 HD1 HIS 80 HD1 HIS 80 13.228 -6.942 9.981 632 HD2 HIS 80 HD2 HIS 80 13.673 -4.524 13.297 633 HE1 HIS 80 HE1 HIS 80 15.222 -5.530 9.498 634 HE2 HIS 80 HE2 HIS 80 15.528 -4.110 11.557 635 HA PRO 81 HA PRO 81 14.051 -8.603 16.744 636 HB2 PRO 81 2HB PRO 81 13.106 -11.209 17.005 637 HB3 PRO 81 1HB PRO 81 12.530 -9.853 17.994 638 HG2 PRO 81 2HG PRO 81 11.251 -11.075 15.566 639 HG3 PRO 81 1HG PRO 81 10.500 -10.541 17.087 640 HD2 PRO 81 2HD PRO 81 10.409 -9.012 14.845 641 HD3 PRO 81 1HD PRO 81 10.497 -8.291 16.466 642 H GLU 82 H GLU 82 12.747 -10.156 13.844 643 HA GLU 82 HA GLU 82 15.228 -10.321 12.490 644 HB2 GLU 82 2HB GLU 82 15.591 -12.265 14.029 645 HB3 GLU 82 1HB GLU 82 14.098 -12.996 13.451 646 HG2 GLU 82 2HG GLU 82 15.105 -13.135 11.156 647 HG3 GLU 82 1HG GLU 82 16.611 -12.499 11.820 648 H GLN 83 H GLN 83 14.111 -9.384 10.786 649 HA GLN 83 HA GLN 83 12.631 -11.145 9.062 650 HB2 GLN 83 2HB GLN 83 11.179 -8.992 10.558 651 HB3 GLN 83 1HB GLN 83 10.821 -9.070 8.842 652 HG2 GLN 83 2HG GLN 83 10.527 -11.393 10.771 653 HG3 GLN 83 1HG GLN 83 9.214 -10.332 10.273 654 HE21 GLN 83 1HE2 GLN 83 8.045 -12.060 9.399 655 HE22 GLN 83 2HE2 GLN 83 8.485 -12.824 7.915 656 H GLY 84 H GLY 84 13.783 -10.882 7.281 657 HA2 GLY 84 2HA GLY 84 14.080 -8.155 6.133 658 HA3 GLY 84 1HA GLY 84 15.419 -9.303 6.120 659 H GLY 85 H GLY 85 14.178 -11.644 5.573 660 HA2 GLY 85 2HA GLY 85 13.488 -12.986 3.865 661 HA3 GLY 85 1HA GLY 85 12.438 -11.670 3.347 662 H ALA 86 H ALA 86 12.863 -11.956 1.170 663 HA ALA 86 HA ALA 86 15.059 -10.459 0.120 664 HB1 ALA 86 1HB ALA 86 15.980 -12.237 -1.364 665 HB2 ALA 86 2HB ALA 86 14.964 -13.436 -0.557 666 HB3 ALA 86 3HB ALA 86 16.237 -12.610 0.341 667 H ALA 87 H ALA 87 13.908 -9.228 -1.214 668 HA ALA 87 HA ALA 87 11.842 -10.407 -2.998 669 HB1 ALA 87 1HB ALA 87 10.802 -8.153 -3.022 670 HB2 ALA 87 2HB ALA 87 12.026 -7.569 -1.889 671 HB3 ALA 87 3HB ALA 87 10.874 -8.808 -1.386 672 H LEU 88 H LEU 88 12.992 -10.774 -4.873 673 HA LEU 88 HA LEU 88 15.080 -9.021 -5.793 674 HB2 LEU 88 2HB LEU 88 15.120 -11.445 -6.293 675 HB3 LEU 88 1HB LEU 88 13.658 -11.280 -7.255 676 HG LEU 88 HG LEU 88 14.864 -9.849 -8.886 677 HD11 LEU 88 1HD1 LEU 88 17.298 -9.517 -8.778 678 HD12 LEU 88 2HD1 LEU 88 17.343 -10.284 -7.190 679 HD13 LEU 88 3HD1 LEU 88 16.478 -8.763 -7.413 680 HD21 LEU 88 1HD2 LEU 88 14.819 -12.251 -9.316 681 HD22 LEU 88 2HD2 LEU 88 16.299 -12.477 -8.379 682 HD23 LEU 88 3HD2 LEU 88 16.334 -11.550 -9.881 683 H GLU 89 H GLU 89 14.732 -7.137 -6.704 684 HA GLU 89 HA GLU 89 12.381 -6.634 -8.413 685 HB2 GLU 89 2HB GLU 89 12.160 -5.688 -6.025 686 HB3 GLU 89 1HB GLU 89 13.518 -4.641 -6.387 687 HG2 GLU 89 2HG GLU 89 10.860 -4.620 -7.849 688 HG3 GLU 89 1HG GLU 89 11.302 -3.513 -6.557 689 H282 PNS 101 3H28 PNS 136 1.287 -9.977 -2.018 690 H281 PNS 101 2H28 PNS 136 0.358 -9.382 -3.401 691 H303 PNS 101 3H51 PNS 136 3.691 -8.017 -4.106 692 H302 PNS 101 2H51 PNS 136 1.974 -7.642 -3.978 693 H301 PNS 101 1H51 PNS 136 2.890 -8.092 -2.534 694 H313 PNS 101 3H52 PNS 136 1.459 -9.316 -5.713 695 H312 PNS 101 2H52 PNS 136 1.993 -10.986 -5.526 696 H311 PNS 101 1H52 PNS 136 3.176 -9.724 -5.865 697 H32 PNS 101 H32 PNS 136 4.500 -10.324 -3.919 698 H33 PNS 101 H33 PNS 136 3.144 -10.508 -1.439 699 H36 PNS 101 H36 PNS 136 4.646 -12.288 -1.874 700 H372 PNS 101 3H37 PNS 136 4.948 -14.507 -1.573 701 H371 PNS 101 2H37 PNS 136 3.268 -14.661 -2.074 702 H382 PNS 101 3H38 PNS 136 4.749 -16.088 -3.449 703 H381 PNS 101 2H38 PNS 136 3.942 -14.861 -4.421 704 H41 PNS 101 H41 PNS 136 5.143 -13.366 -5.514 705 H422 PNS 101 3H42 PNS 136 7.603 -13.786 -6.545 706 H421 PNS 101 2H42 PNS 136 7.964 -12.872 -5.079 707 H431 PNS 101 2H43 PNS 136 6.492 -11.040 -5.863 708 H432 PNS 101 3H43 PNS 136 7.762 -11.380 -7.052 709 H44 PNS 101 H44 PNS 136 6.093 -12.950 -8.685 Start of MODEL 20 1 H1 MET 1 1H MET 1 2.194 15.390 0.838 2 H2 MET 1 2H MET 1 2.440 16.753 -0.126 3 H3 MET 1 3H MET 1 3.614 15.540 -0.061 4 HA MET 1 HA MET 1 0.869 15.187 -1.094 5 HB2 MET 1 2HB MET 1 1.902 15.155 -3.361 6 HB3 MET 1 1HB MET 1 2.116 16.704 -2.561 7 HG2 MET 1 2HG MET 1 4.431 15.998 -1.937 8 HG3 MET 1 1HG MET 1 4.196 14.540 -2.898 9 HE1 MET 1 1HE MET 1 4.287 18.804 -4.699 10 HE2 MET 1 2HE MET 1 4.600 18.479 -2.996 11 HE3 MET 1 3HE MET 1 2.976 18.260 -3.653 12 H LEU 2 H LEU 2 2.651 13.600 0.787 13 HA LEU 2 HA LEU 2 4.084 11.552 -0.406 14 HB2 LEU 2 2HB LEU 2 4.197 12.258 1.982 15 HB3 LEU 2 1HB LEU 2 2.623 11.528 2.257 16 HG LEU 2 HG LEU 2 3.602 9.283 1.680 17 HD11 LEU 2 1HD1 LEU 2 5.418 10.025 0.233 18 HD12 LEU 2 2HD1 LEU 2 6.033 9.024 1.540 19 HD13 LEU 2 3HD1 LEU 2 6.242 10.774 1.606 20 HD21 LEU 2 1HD2 LEU 2 5.003 10.706 3.972 21 HD22 LEU 2 2HD2 LEU 2 4.832 8.960 3.771 22 HD23 LEU 2 3HD2 LEU 2 3.404 9.954 4.032 23 H GLU 3 H GLU 3 0.765 11.380 0.918 24 HA GLU 3 HA GLU 3 0.219 8.724 0.099 25 HB2 GLU 3 2HB GLU 3 -1.741 10.971 0.748 26 HB3 GLU 3 1HB GLU 3 -2.212 9.295 0.496 27 HG2 GLU 3 2HG GLU 3 -2.161 9.561 2.842 28 HG3 GLU 3 1HG GLU 3 -0.662 8.719 2.457 29 H SER 4 H SER 4 -0.362 11.873 -1.417 30 HA SER 4 HA SER 4 -1.961 11.170 -3.591 31 HB2 SER 4 2HB SER 4 0.200 13.326 -3.569 32 HB3 SER 4 1HB SER 4 -1.247 13.288 -4.579 33 HG SER 4 HG SER 4 -1.666 14.629 -2.889 34 H LYS 5 H LYS 5 1.529 10.807 -3.099 35 HA LYS 5 HA LYS 5 2.247 10.426 -5.845 36 HB2 LYS 5 2HB LYS 5 3.757 9.714 -3.295 37 HB3 LYS 5 1HB LYS 5 4.447 9.703 -4.918 38 HG2 LYS 5 2HG LYS 5 4.018 12.142 -5.114 39 HG3 LYS 5 1HG LYS 5 3.360 12.146 -3.479 40 HD2 LYS 5 2HD LYS 5 5.635 12.979 -3.397 41 HD3 LYS 5 1HD LYS 5 5.605 11.389 -2.627 42 HE2 LYS 5 2HE LYS 5 7.572 11.759 -4.170 43 HE3 LYS 5 1HE LYS 5 6.593 10.353 -4.587 44 HZ1 LYS 5 1HZ LYS 5 7.143 11.595 -6.542 45 HZ2 LYS 5 2HZ LYS 5 6.495 13.012 -5.906 46 HZ3 LYS 5 3HZ LYS 5 5.483 11.711 -6.276 47 H LEU 6 H LEU 6 1.790 8.146 -3.064 48 HA LEU 6 HA LEU 6 2.481 5.811 -4.544 49 HB2 LEU 6 2HB LEU 6 1.813 4.504 -2.613 50 HB3 LEU 6 1HB LEU 6 2.700 5.916 -2.091 51 HG LEU 6 HG LEU 6 0.219 6.902 -1.714 52 HD11 LEU 6 1HD1 LEU 6 -1.010 4.970 -2.546 53 HD12 LEU 6 2HD1 LEU 6 -1.343 5.221 -0.838 54 HD13 LEU 6 3HD1 LEU 6 -0.251 3.926 -1.339 55 HD21 LEU 6 1HD2 LEU 6 0.364 6.269 0.657 56 HD22 LEU 6 2HD2 LEU 6 1.930 6.767 0.024 57 HD23 LEU 6 3HD2 LEU 6 1.585 5.053 0.269 58 H ILE 7 H ILE 7 -0.557 7.474 -3.880 59 HA ILE 7 HA ILE 7 -2.329 5.512 -4.944 60 HB ILE 7 HB ILE 7 -2.682 8.515 -4.591 61 HG12 ILE 7 2HG1 ILE 7 -3.818 6.251 -2.887 62 HG13 ILE 7 1HG1 ILE 7 -2.325 7.094 -2.502 63 HG21 ILE 7 1HG2 ILE 7 -4.253 7.706 -6.324 64 HG22 ILE 7 2HG2 ILE 7 -5.121 8.156 -4.854 65 HG23 ILE 7 3HG2 ILE 7 -4.832 6.455 -5.221 66 HD11 ILE 7 1HD1 ILE 7 -5.077 8.317 -2.620 67 HD12 ILE 7 2HD1 ILE 7 -3.585 9.200 -2.283 68 HD13 ILE 7 3HD1 ILE 7 -4.141 7.947 -1.173 69 H ASN 8 H ASN 8 -1.070 8.604 -6.322 70 HA ASN 8 HA ASN 8 -2.262 8.518 -8.817 71 HB2 ASN 8 2HB ASN 8 -0.897 10.422 -7.744 72 HB3 ASN 8 1HB ASN 8 0.547 9.636 -8.348 73 HD21 ASN 8 1HD2 ASN 8 -0.449 8.971 -11.012 74 HD22 ASN 8 2HD2 ASN 8 -0.693 10.465 -11.829 75 H HIS 9 H HIS 9 0.619 6.830 -7.692 76 HA HIS 9 HA HIS 9 1.910 6.190 -10.056 77 HB2 HIS 9 2HB HIS 9 2.755 5.840 -7.727 78 HB3 HIS 9 1HB HIS 9 1.697 4.448 -7.569 79 HD1 HIS 9 HD1 HIS 9 5.087 5.194 -8.194 80 HD2 HIS 9 HD2 HIS 9 2.411 2.476 -9.843 81 HE1 HIS 9 HE1 HIS 9 6.503 3.408 -9.240 82 HE2 HIS 9 HE2 HIS 9 4.849 1.650 -9.932 83 H ILE 10 H ILE 10 -0.167 3.868 -8.262 84 HA ILE 10 HA ILE 10 -0.543 2.318 -10.688 85 HB ILE 10 HB ILE 10 -2.028 0.862 -9.060 86 HG12 ILE 10 2HG1 ILE 10 -1.208 0.870 -6.689 87 HG13 ILE 10 1HG1 ILE 10 -0.296 2.332 -7.010 88 HG21 ILE 10 1HG2 ILE 10 0.018 0.064 -10.097 89 HG22 ILE 10 2HG2 ILE 10 -0.045 -0.479 -8.421 90 HG23 ILE 10 3HG2 ILE 10 1.004 0.870 -8.874 91 HD11 ILE 10 1HD1 ILE 10 -2.294 2.818 -5.793 92 HD12 ILE 10 2HD1 ILE 10 -3.291 2.024 -7.017 93 HD13 ILE 10 3HD1 ILE 10 -2.409 3.502 -7.413 94 H ALA 11 H ALA 11 -2.417 4.660 -8.861 95 HA ALA 11 HA ALA 11 -5.009 4.244 -9.793 96 HB1 ALA 11 1HB ALA 11 -4.439 5.996 -8.152 97 HB2 ALA 11 2HB ALA 11 -5.389 6.651 -9.486 98 HB3 ALA 11 3HB ALA 11 -3.647 6.930 -9.422 99 H THR 12 H THR 12 -2.188 5.284 -11.578 100 HA THR 12 HA THR 12 -3.387 6.439 -13.849 101 HB THR 12 HB THR 12 -0.821 4.782 -13.813 102 HG1 THR 12 HG1 THR 12 -0.236 6.310 -12.454 103 HG21 THR 12 1HG2 THR 12 -0.139 6.228 -15.699 104 HG22 THR 12 2HG2 THR 12 -1.693 7.061 -15.643 105 HG23 THR 12 3HG2 THR 12 -1.620 5.355 -16.100 106 H GLN 13 H GLN 13 -2.574 3.065 -13.067 107 HA GLN 13 HA GLN 13 -3.787 2.067 -15.569 108 HB2 GLN 13 2HB GLN 13 -2.705 -0.079 -15.016 109 HB3 GLN 13 1HB GLN 13 -1.535 1.236 -15.003 110 HG2 GLN 13 2HG GLN 13 -1.624 1.304 -12.552 111 HG3 GLN 13 1HG GLN 13 -2.798 -0.007 -12.547 112 HE21 GLN 13 1HE2 GLN 13 -1.478 -1.337 -11.328 113 HE22 GLN 13 2HE2 GLN 13 -0.045 -2.073 -11.944 114 H PHE 14 H PHE 14 -4.568 2.445 -12.257 115 HA PHE 14 HA PHE 14 -6.446 0.170 -12.174 116 HB2 PHE 14 2HB PHE 14 -4.976 1.791 -10.078 117 HB3 PHE 14 1HB PHE 14 -6.585 1.228 -9.623 118 HD1 PHE 14 HD1 PHE 14 -5.838 -0.309 -7.883 119 HD2 PHE 14 HD2 PHE 14 -4.292 -0.670 -11.870 120 HE1 PHE 14 HE1 PHE 14 -4.927 -2.529 -7.368 121 HE2 PHE 14 HE2 PHE 14 -3.392 -2.869 -11.314 122 HZ PHE 14 HZ PHE 14 -3.715 -3.804 -9.074 123 H LEU 15 H LEU 15 -6.387 3.686 -12.170 124 HA LEU 15 HA LEU 15 -9.370 3.757 -12.116 125 HB2 LEU 15 2HB LEU 15 -7.588 5.890 -10.879 126 HB3 LEU 15 1HB LEU 15 -9.325 5.714 -10.725 127 HG LEU 15 HG LEU 15 -7.246 3.879 -9.463 128 HD11 LEU 15 1HD1 LEU 15 -7.839 4.908 -7.363 129 HD12 LEU 15 2HD1 LEU 15 -8.995 5.987 -8.140 130 HD13 LEU 15 3HD1 LEU 15 -7.266 6.130 -8.484 131 HD21 LEU 15 1HD2 LEU 15 -9.120 2.897 -8.195 132 HD22 LEU 15 2HD2 LEU 15 -9.323 2.648 -9.924 133 HD23 LEU 15 3HD2 LEU 15 -10.277 3.883 -9.097 134 H ASP 16 H ASP 16 -7.024 4.016 -14.226 135 HA ASP 16 HA ASP 16 -6.740 4.982 -16.248 136 HB2 ASP 16 2HB ASP 16 -9.269 4.827 -16.308 137 HB3 ASP 16 1HB ASP 16 -9.346 6.483 -15.739 138 H GLY 17 H GLY 17 -5.830 6.311 -13.713 139 HA2 GLY 17 2HA GLY 17 -4.248 8.051 -13.508 140 HA3 GLY 17 1HA GLY 17 -4.985 8.904 -14.853 141 H GLU 18 H GLU 18 -7.471 7.892 -12.941 142 HA GLU 18 HA GLU 18 -7.828 10.553 -11.777 143 HB2 GLU 18 2HB GLU 18 -10.028 10.268 -12.313 144 HB3 GLU 18 1HB GLU 18 -9.618 8.742 -13.089 145 HG2 GLU 18 2HG GLU 18 -10.182 7.501 -11.084 146 HG3 GLU 18 1HG GLU 18 -10.364 8.990 -10.153 147 H LYS 19 H LYS 19 -8.215 10.831 -9.518 148 HA LYS 19 HA LYS 19 -7.584 8.547 -7.732 149 HB2 LYS 19 2HB LYS 19 -7.670 11.502 -7.037 150 HB3 LYS 19 1HB LYS 19 -7.140 10.179 -6.001 151 HG2 LYS 19 2HG LYS 19 -5.346 9.731 -7.820 152 HG3 LYS 19 1HG LYS 19 -5.733 11.348 -8.404 153 HD2 LYS 19 2HD LYS 19 -4.855 10.683 -5.584 154 HD3 LYS 19 1HD LYS 19 -3.770 11.251 -6.846 155 HE2 LYS 19 2HE LYS 19 -4.288 13.151 -5.461 156 HE3 LYS 19 1HE LYS 19 -5.170 13.374 -6.967 157 HZ1 LYS 19 1HZ LYS 19 -6.419 13.874 -4.876 158 HZ2 LYS 19 2HZ LYS 19 -6.419 12.218 -4.536 159 HZ3 LYS 19 3HZ LYS 19 -7.181 12.799 -5.927 160 H ASP 20 H ASP 20 -9.452 7.521 -7.319 161 HA ASP 20 HA ASP 20 -11.612 8.746 -5.895 162 HB2 ASP 20 2HB ASP 20 -12.212 9.481 -8.197 163 HB3 ASP 20 1HB ASP 20 -12.179 7.812 -8.742 164 H GLY 21 H GLY 21 -12.361 7.228 -4.558 165 HA2 GLY 21 2HA GLY 21 -13.116 5.191 -3.757 166 HA3 GLY 21 1HA GLY 21 -12.691 4.428 -5.284 167 H LEU 22 H LEU 22 -10.006 6.067 -4.626 168 HA LEU 22 HA LEU 22 -8.702 4.018 -2.959 169 HB2 LEU 22 2HB LEU 22 -8.335 3.546 -5.376 170 HB3 LEU 22 1HB LEU 22 -7.778 5.186 -5.611 171 HG LEU 22 HG LEU 22 -5.773 4.702 -4.185 172 HD11 LEU 22 1HD1 LEU 22 -5.195 2.378 -3.596 173 HD12 LEU 22 2HD1 LEU 22 -6.779 1.837 -4.157 174 HD13 LEU 22 3HD1 LEU 22 -6.654 2.917 -2.769 175 HD21 LEU 22 1HD2 LEU 22 -5.644 4.526 -6.624 176 HD22 LEU 22 2HD2 LEU 22 -6.127 2.827 -6.543 177 HD23 LEU 22 3HD2 LEU 22 -4.598 3.349 -5.839 178 H ASP 23 H ASP 23 -8.344 5.255 -1.241 179 HA ASP 23 HA ASP 23 -6.419 7.455 -1.446 180 HB2 ASP 23 2HB ASP 23 -9.057 7.599 0.071 181 HB3 ASP 23 1HB ASP 23 -7.679 8.556 0.593 182 H SER 24 H SER 24 -5.748 8.007 0.932 183 HA SER 24 HA SER 24 -4.294 5.798 1.847 184 HB2 SER 24 2HB SER 24 -3.671 7.365 3.744 185 HB3 SER 24 1HB SER 24 -3.440 8.040 2.129 186 HG SER 24 HG SER 24 -4.991 8.943 4.119 187 H GLN 25 H GLN 25 -7.178 7.346 3.098 188 HA GLN 25 HA GLN 25 -7.300 5.642 5.470 189 HB2 GLN 25 2HB GLN 25 -9.016 8.007 4.620 190 HB3 GLN 25 1HB GLN 25 -9.043 7.227 6.200 191 HG2 GLN 25 2HG GLN 25 -6.727 7.932 6.619 192 HG3 GLN 25 1HG GLN 25 -6.637 8.661 5.016 193 HE21 GLN 25 1HE2 GLN 25 -6.189 9.923 7.546 194 HE22 GLN 25 2HE2 GLN 25 -7.327 11.215 7.665 195 H THR 26 H THR 26 -8.586 5.728 2.335 196 HA THR 26 HA THR 26 -11.210 4.729 2.704 197 HB THR 26 HB THR 26 -9.389 4.626 0.258 198 HG1 THR 26 HG1 THR 26 -10.619 6.653 1.492 199 HG21 THR 26 1HG2 THR 26 -11.490 4.455 -1.046 200 HG22 THR 26 2HG2 THR 26 -12.405 4.298 0.460 201 HG23 THR 26 3HG2 THR 26 -11.252 3.048 -0.009 202 HA PRO 27 HA PRO 27 -10.233 0.365 3.464 203 HB2 PRO 27 2HB PRO 27 -12.707 -0.728 3.016 204 HB3 PRO 27 1HB PRO 27 -12.330 0.203 4.491 205 HG2 PRO 27 2HG PRO 27 -13.727 1.138 1.987 206 HG3 PRO 27 1HG PRO 27 -14.180 1.424 3.680 207 HD2 PRO 27 2HD PRO 27 -12.873 3.298 2.231 208 HD3 PRO 27 1HD PRO 27 -12.568 3.107 3.965 209 H LEU 28 H LEU 28 -8.901 -0.364 1.861 210 HA LEU 28 HA LEU 28 -9.560 -0.334 -0.934 211 HB2 LEU 28 2HB LEU 28 -7.247 -1.790 0.397 212 HB3 LEU 28 1HB LEU 28 -7.353 -1.263 -1.275 213 HG LEU 28 HG LEU 28 -6.989 0.490 1.180 214 HD11 LEU 28 1HD1 LEU 28 -4.948 -0.617 0.467 215 HD12 LEU 28 2HD1 LEU 28 -4.852 1.114 0.172 216 HD13 LEU 28 3HD1 LEU 28 -5.145 0.010 -1.174 217 HD21 LEU 28 1HD2 LEU 28 -7.439 1.402 -1.676 218 HD22 LEU 28 2HD2 LEU 28 -6.902 2.436 -0.351 219 HD23 LEU 28 3HD2 LEU 28 -8.493 1.687 -0.286 220 H PHE 29 H PHE 29 -9.697 -2.608 1.684 221 HA PHE 29 HA PHE 29 -10.021 -4.970 0.100 222 HB2 PHE 29 2HB PHE 29 -9.506 -4.399 2.885 223 HB3 PHE 29 1HB PHE 29 -10.974 -5.366 2.837 224 HD1 PHE 29 HD1 PHE 29 -7.478 -5.228 1.593 225 HD2 PHE 29 HD2 PHE 29 -10.806 -7.746 2.536 226 HE1 PHE 29 HE1 PHE 29 -6.114 -7.205 1.237 227 HE2 PHE 29 HE2 PHE 29 -9.405 -9.731 2.170 228 HZ PHE 29 HZ PHE 29 -7.048 -9.460 1.517 229 H GLU 30 H GLU 30 -12.185 -2.889 1.996 230 HA GLU 30 HA GLU 30 -14.533 -4.426 1.650 231 HB2 GLU 30 2HB GLU 30 -14.276 -2.761 3.451 232 HB3 GLU 30 1HB GLU 30 -14.204 -1.455 2.273 233 HG2 GLU 30 2HG GLU 30 -16.397 -1.568 3.377 234 HG3 GLU 30 1HG GLU 30 -16.534 -1.859 1.644 235 H LEU 31 H LEU 31 -13.095 -1.789 -0.194 236 HA LEU 31 HA LEU 31 -15.332 -1.706 -2.094 237 HB2 LEU 31 2HB LEU 31 -12.793 -0.046 -2.079 238 HB3 LEU 31 1HB LEU 31 -14.221 0.229 -3.061 239 HG LEU 31 HG LEU 31 -13.910 0.645 -0.074 240 HD11 LEU 31 1HD1 LEU 31 -14.528 2.946 -0.578 241 HD12 LEU 31 2HD1 LEU 31 -14.700 2.554 -2.291 242 HD13 LEU 31 3HD1 LEU 31 -13.116 2.457 -1.514 243 HD21 LEU 31 1HD2 LEU 31 -16.516 0.699 -1.637 244 HD22 LEU 31 2HD2 LEU 31 -16.302 1.241 0.028 245 HD23 LEU 31 3HD2 LEU 31 -16.070 -0.455 -0.376 246 H ASN 32 H ASN 32 -12.423 -3.362 -1.728 247 HA ASN 32 HA ASN 32 -11.374 -4.951 -2.955 248 HB2 ASN 32 2HB ASN 32 -13.639 -4.652 -4.979 249 HB3 ASN 32 1HB ASN 32 -12.592 -6.053 -4.799 250 HD21 ASN 32 1HD2 ASN 32 -12.744 -6.220 -1.922 251 HD22 ASN 32 2HD2 ASN 32 -14.358 -6.688 -1.538 252 H ILE 33 H ILE 33 -10.839 -2.066 -3.445 253 HA ILE 33 HA ILE 33 -10.673 -1.422 -6.179 254 HB ILE 33 HB ILE 33 -9.072 -0.271 -3.857 255 HG12 ILE 33 2HG1 ILE 33 -11.523 -0.116 -3.483 256 HG13 ILE 33 1HG1 ILE 33 -10.816 1.476 -3.722 257 HG21 ILE 33 1HG2 ILE 33 -9.594 0.941 -6.610 258 HG22 ILE 33 2HG2 ILE 33 -8.039 0.371 -5.996 259 HG23 ILE 33 3HG2 ILE 33 -8.817 1.769 -5.259 260 HD11 ILE 33 1HD1 ILE 33 -12.359 -0.105 -5.774 261 HD12 ILE 33 2HD1 ILE 33 -11.648 1.493 -6.024 262 HD13 ILE 33 3HD1 ILE 33 -12.942 1.277 -4.849 263 H VAL 34 H VAL 34 -8.126 -2.467 -3.918 264 HA VAL 34 HA VAL 34 -6.161 -2.389 -6.097 265 HB VAL 34 HB VAL 34 -5.677 -1.150 -3.988 266 HG11 VAL 34 1HG1 VAL 34 -5.353 -3.878 -2.676 267 HG12 VAL 34 2HG1 VAL 34 -6.639 -2.719 -2.333 268 HG13 VAL 34 3HG1 VAL 34 -4.967 -2.318 -1.938 269 HG21 VAL 34 1HG2 VAL 34 -3.824 -1.766 -5.473 270 HG22 VAL 34 2HG2 VAL 34 -3.649 -3.317 -4.653 271 HG23 VAL 34 3HG2 VAL 34 -3.292 -1.820 -3.789 272 H ASP 35 H ASP 35 -4.992 -4.110 -6.766 273 HA ASP 35 HA ASP 35 -5.838 -6.815 -6.022 274 HB2 ASP 35 2HB ASP 35 -4.040 -5.791 -8.254 275 HB3 ASP 35 1HB ASP 35 -4.454 -7.484 -8.006 276 H SER 36 H SER 36 -4.152 -8.467 -5.859 277 HA SER 36 HA SER 36 -2.345 -7.889 -3.753 278 HB2 SER 36 2HB SER 36 -1.930 -10.168 -3.665 279 HB3 SER 36 1HB SER 36 -3.551 -10.114 -4.341 280 H ALA 37 H ALA 37 -2.011 -8.014 -7.200 281 HA ALA 37 HA ALA 37 0.814 -8.171 -7.412 282 HB1 ALA 37 1HB ALA 37 -1.230 -7.178 -9.431 283 HB2 ALA 37 2HB ALA 37 -0.701 -8.849 -9.228 284 HB3 ALA 37 3HB ALA 37 0.442 -7.626 -9.786 285 H ALA 38 H ALA 38 -1.451 -5.497 -7.087 286 HA ALA 38 HA ALA 38 0.520 -3.426 -7.581 287 HB1 ALA 38 1HB ALA 38 -2.302 -3.206 -6.487 288 HB2 ALA 38 2HB ALA 38 -1.818 -3.006 -8.170 289 HB3 ALA 38 3HB ALA 38 -1.274 -1.850 -6.955 290 H ILE 39 H ILE 39 -0.530 -5.333 -4.869 291 HA ILE 39 HA ILE 39 0.156 -3.676 -2.698 292 HB ILE 39 HB ILE 39 0.352 -6.714 -2.933 293 HG12 ILE 39 2HG1 ILE 39 -1.925 -5.924 -3.261 294 HG13 ILE 39 1HG1 ILE 39 -1.823 -6.715 -1.699 295 HG21 ILE 39 1HG2 ILE 39 0.343 -6.802 -0.438 296 HG22 ILE 39 2HG2 ILE 39 0.499 -5.046 -0.393 297 HG23 ILE 39 3HG2 ILE 39 1.795 -6.026 -1.080 298 HD11 ILE 39 1HD1 ILE 39 -1.792 -4.539 -0.605 299 HD12 ILE 39 2HD1 ILE 39 -3.214 -4.753 -1.617 300 HD13 ILE 39 3HD1 ILE 39 -1.887 -3.736 -2.176 301 H PHE 40 H PHE 40 2.119 -5.932 -4.663 302 HA PHE 40 HA PHE 40 4.574 -5.639 -3.307 303 HB2 PHE 40 2HB PHE 40 4.022 -7.470 -4.974 304 HB3 PHE 40 1HB PHE 40 4.195 -6.293 -6.272 305 HD1 PHE 40 HD1 PHE 40 5.990 -8.286 -3.729 306 HD2 PHE 40 HD2 PHE 40 6.460 -5.460 -6.923 307 HE1 PHE 40 HE1 PHE 40 8.418 -8.693 -3.758 308 HE2 PHE 40 HE2 PHE 40 8.887 -5.887 -6.939 309 HZ PHE 40 HZ PHE 40 9.863 -7.506 -5.357 310 H ASP 41 H ASP 41 2.982 -3.576 -5.672 311 HA ASP 41 HA ASP 41 5.287 -1.932 -6.237 312 HB2 ASP 41 2HB ASP 41 3.331 -2.121 -7.797 313 HB3 ASP 41 1HB ASP 41 2.325 -1.290 -6.614 314 H LEU 42 H LEU 42 2.484 -1.783 -4.049 315 HA LEU 42 HA LEU 42 2.905 0.792 -2.975 316 HB2 LEU 42 2HB LEU 42 1.492 -1.611 -1.752 317 HB3 LEU 42 1HB LEU 42 1.380 0.029 -1.128 318 HG LEU 42 HG LEU 42 0.404 -0.844 -3.880 319 HD11 LEU 42 1HD1 LEU 42 -0.958 -1.859 -2.126 320 HD12 LEU 42 2HD1 LEU 42 -1.864 -0.639 -3.013 321 HD13 LEU 42 3HD1 LEU 42 -1.242 -0.270 -1.402 322 HD21 LEU 42 1HD2 LEU 42 0.052 1.827 -2.469 323 HD22 LEU 42 2HD2 LEU 42 -0.679 1.363 -4.007 324 HD23 LEU 42 3HD2 LEU 42 1.069 1.512 -3.881 325 H VAL 43 H VAL 43 4.230 -2.372 -2.093 326 HA VAL 43 HA VAL 43 5.195 -1.716 0.479 327 HB VAL 43 HB VAL 43 6.497 -3.699 0.501 328 HG11 VAL 43 1HG1 VAL 43 4.092 -4.119 0.469 329 HG12 VAL 43 2HG1 VAL 43 4.976 -5.461 -0.228 330 HG13 VAL 43 3HG1 VAL 43 4.134 -4.328 -1.273 331 HG21 VAL 43 1HG2 VAL 43 7.825 -3.468 -1.561 332 HG22 VAL 43 2HG2 VAL 43 6.417 -3.872 -2.535 333 HG23 VAL 43 3HG2 VAL 43 7.122 -5.082 -1.468 334 H ASP 44 H ASP 44 6.581 -1.362 -2.773 335 HA ASP 44 HA ASP 44 9.278 -0.879 -2.092 336 HB2 ASP 44 2HB ASP 44 8.449 -1.422 -4.400 337 HB3 ASP 44 1HB ASP 44 7.736 0.167 -4.518 338 H PHE 45 H PHE 45 6.467 1.208 -2.451 339 HA PHE 45 HA PHE 45 7.823 3.660 -2.304 340 HB2 PHE 45 2HB PHE 45 5.507 3.330 -3.230 341 HB3 PHE 45 1HB PHE 45 4.918 3.070 -1.592 342 HD1 PHE 45 HD1 PHE 45 6.186 5.575 -3.991 343 HD2 PHE 45 HD2 PHE 45 4.695 4.966 -0.011 344 HE1 PHE 45 HE1 PHE 45 5.891 8.000 -3.713 345 HE2 PHE 45 HE2 PHE 45 4.419 7.396 0.243 346 HZ PHE 45 HZ PHE 45 5.017 8.906 -1.602 347 H LEU 46 H LEU 46 6.185 1.622 0.136 348 HA LEU 46 HA LEU 46 6.557 3.298 2.399 349 HB2 LEU 46 2HB LEU 46 6.283 0.279 2.229 350 HB3 LEU 46 1HB LEU 46 6.090 1.226 3.697 351 HG LEU 46 HG LEU 46 4.295 1.420 1.241 352 HD11 LEU 46 1HD1 LEU 46 3.683 0.141 3.912 353 HD12 LEU 46 2HD1 LEU 46 4.031 -0.717 2.409 354 HD13 LEU 46 3HD1 LEU 46 2.594 0.290 2.529 355 HD21 LEU 46 1HD2 LEU 46 2.814 2.821 2.635 356 HD22 LEU 46 2HD2 LEU 46 4.389 3.571 2.401 357 HD23 LEU 46 3HD2 LEU 46 4.009 2.794 3.940 358 H ARG 47 H ARG 47 8.582 0.849 0.890 359 HA ARG 47 HA ARG 47 10.597 0.599 2.885 360 HB2 ARG 47 2HB ARG 47 10.620 0.115 -0.130 361 HB3 ARG 47 1HB ARG 47 11.965 -0.314 0.928 362 HG2 ARG 47 2HG ARG 47 10.685 -1.982 2.060 363 HG3 ARG 47 1HG ARG 47 9.173 -1.414 1.340 364 HD2 ARG 47 2HD ARG 47 9.858 -3.449 0.243 365 HD3 ARG 47 1HD ARG 47 10.010 -2.114 -0.892 366 HE ARG 47 HE ARG 47 12.502 -2.263 0.044 367 HH11 ARG 47 1HH1 ARG 47 10.362 -4.800 -1.093 368 HH12 ARG 47 2HH1 ARG 47 11.657 -5.796 -1.667 369 HH21 ARG 47 1HH2 ARG 47 14.189 -3.574 -0.777 370 HH22 ARG 47 2HH2 ARG 47 13.810 -5.112 -1.491 371 H GLN 48 H GLN 48 10.036 2.731 0.200 372 HA GLN 48 HA GLN 48 12.608 3.887 -0.096 373 HB2 GLN 48 2HB GLN 48 10.790 3.830 -1.841 374 HB3 GLN 48 1HB GLN 48 9.871 4.993 -0.896 375 HG2 GLN 48 2HG GLN 48 11.745 6.627 -1.203 376 HG3 GLN 48 1HG GLN 48 12.538 5.454 -2.253 377 HE21 GLN 48 1HE2 GLN 48 9.048 6.128 -2.150 378 HE22 GLN 48 2HE2 GLN 48 8.956 6.756 -3.753 379 H GLU 49 H GLU 49 9.634 4.883 1.540 380 HA GLU 49 HA GLU 49 10.694 7.404 2.464 381 HB2 GLU 49 2HB GLU 49 8.059 6.039 3.147 382 HB3 GLU 49 1HB GLU 49 8.458 7.729 3.444 383 HG2 GLU 49 2HG GLU 49 8.022 6.372 0.773 384 HG3 GLU 49 1HG GLU 49 7.040 7.633 1.515 385 H SER 50 H SER 50 9.556 4.404 4.035 386 HA SER 50 HA SER 50 10.318 5.360 6.667 387 HB2 SER 50 2HB SER 50 9.130 2.690 5.832 388 HB3 SER 50 1HB SER 50 9.272 3.298 7.483 389 HG SER 50 HG SER 50 8.019 5.184 6.525 390 H LYS 51 H LYS 51 12.157 4.021 4.262 391 HA LYS 51 HA LYS 51 14.365 3.495 4.204 392 HB2 LYS 51 2HB LYS 51 14.252 4.267 7.156 393 HB3 LYS 51 1HB LYS 51 15.730 4.082 6.229 394 HG2 LYS 51 2HG LYS 51 13.592 6.124 5.549 395 HG3 LYS 51 1HG LYS 51 14.954 6.461 6.615 396 HD2 LYS 51 2HD LYS 51 15.151 5.636 3.697 397 HD3 LYS 51 1HD LYS 51 15.369 7.269 4.329 398 HE2 LYS 51 2HE LYS 51 17.144 4.865 4.904 399 HE3 LYS 51 1HE LYS 51 17.553 6.260 3.909 400 HZ1 LYS 51 1HZ LYS 51 18.537 6.410 6.114 401 HZ2 LYS 51 2HZ LYS 51 17.007 6.327 6.821 402 HZ3 LYS 51 3HZ LYS 51 17.417 7.652 5.865 403 H VAL 52 H VAL 52 12.664 1.307 4.445 404 HA VAL 52 HA VAL 52 14.211 -0.620 6.068 405 HB VAL 52 HB VAL 52 12.225 0.146 7.423 406 HG11 VAL 52 1HG1 VAL 52 10.598 0.565 5.614 407 HG12 VAL 52 2HG1 VAL 52 9.923 -0.544 6.808 408 HG13 VAL 52 3HG1 VAL 52 10.516 -1.164 5.267 409 HG21 VAL 52 1HG2 VAL 52 13.200 -2.080 7.864 410 HG22 VAL 52 2HG2 VAL 52 12.136 -2.801 6.653 411 HG23 VAL 52 3HG2 VAL 52 11.454 -2.102 8.121 412 H SER 53 H SER 53 13.972 -2.809 5.361 413 HA SER 53 HA SER 53 12.968 -3.218 2.610 414 HB2 SER 53 2HB SER 53 14.361 -5.339 2.750 415 HB3 SER 53 1HB SER 53 15.314 -3.867 2.938 416 HG SER 53 HG SER 53 14.651 -5.826 4.830 417 H ILE 54 H ILE 54 11.450 -4.836 2.207 418 HA ILE 54 HA ILE 54 10.311 -6.325 4.492 419 HB ILE 54 HB ILE 54 8.789 -4.424 3.814 420 HG12 ILE 54 2HG1 ILE 54 7.678 -7.226 3.335 421 HG13 ILE 54 1HG1 ILE 54 7.807 -6.421 4.892 422 HG21 ILE 54 1HG2 ILE 54 7.578 -4.475 1.686 423 HG22 ILE 54 2HG2 ILE 54 8.457 -5.921 1.190 424 HG23 ILE 54 3HG2 ILE 54 9.313 -4.395 1.389 425 HD11 ILE 54 1HD1 ILE 54 6.024 -5.580 2.608 426 HD12 ILE 54 2HD1 ILE 54 6.140 -4.776 4.177 427 HD13 ILE 54 3HD1 ILE 54 5.529 -6.428 4.071 428 H GLY 55 H GLY 55 9.705 -8.433 4.021 429 HA2 GLY 55 2HA GLY 55 10.678 -9.578 1.481 430 HA3 GLY 55 1HA GLY 55 10.368 -10.449 2.973 431 H MET 56 H MET 56 9.367 -11.326 0.481 432 HA MET 56 HA MET 56 6.770 -10.331 -0.113 433 HB2 MET 56 2HB MET 56 8.091 -12.921 -0.980 434 HB3 MET 56 1HB MET 56 6.606 -12.274 -1.667 435 HG2 MET 56 2HG MET 56 7.938 -10.215 -2.342 436 HG3 MET 56 1HG MET 56 9.390 -11.093 -1.863 437 HE1 MET 56 1HE MET 56 6.585 -10.598 -4.489 438 HE2 MET 56 2HE MET 56 6.063 -12.149 -3.821 439 HE3 MET 56 3HE MET 56 6.686 -12.062 -5.466 440 H GLN 57 H GLN 57 7.746 -12.325 2.431 441 HA GLN 57 HA GLN 57 5.340 -13.898 2.704 442 HB2 GLN 57 2HB GLN 57 7.552 -13.280 4.712 443 HB3 GLN 57 1HB GLN 57 6.288 -14.489 4.934 444 HG2 GLN 57 2HG GLN 57 7.143 -15.733 2.964 445 HG3 GLN 57 1HG GLN 57 8.437 -14.546 2.784 446 HE21 GLN 57 1HE2 GLN 57 10.173 -14.610 4.248 447 HE22 GLN 57 2HE2 GLN 57 10.434 -15.938 5.319 448 H GLU 58 H GLU 58 6.572 -10.810 3.990 449 HA GLU 58 HA GLU 58 4.189 -10.337 5.623 450 HB2 GLU 58 2HB GLU 58 6.374 -8.312 4.951 451 HB3 GLU 58 1HB GLU 58 5.181 -8.195 6.232 452 HG2 GLU 58 2HG GLU 58 6.997 -8.833 7.489 453 HG3 GLU 58 1HG GLU 58 6.376 -10.430 7.074 454 H ILE 59 H ILE 59 5.402 -9.587 2.417 455 HA ILE 59 HA ILE 59 3.504 -7.570 1.675 456 HB ILE 59 HB ILE 59 4.917 -9.606 -0.128 457 HG12 ILE 59 2HG1 ILE 59 5.706 -6.737 0.575 458 HG13 ILE 59 1HG1 ILE 59 6.524 -8.191 1.126 459 HG21 ILE 59 1HG2 ILE 59 2.965 -8.675 -1.295 460 HG22 ILE 59 2HG2 ILE 59 4.456 -8.066 -2.027 461 HG23 ILE 59 3HG2 ILE 59 3.510 -7.028 -0.949 462 HD11 ILE 59 1HD1 ILE 59 7.775 -7.148 -0.628 463 HD12 ILE 59 2HD1 ILE 59 6.379 -7.172 -1.702 464 HD13 ILE 59 3HD1 ILE 59 7.144 -8.688 -1.213 465 H HIS 60 H HIS 60 1.515 -8.443 2.563 466 HA HIS 60 HA HIS 60 0.117 -9.916 0.461 467 HB2 HIS 60 2HB HIS 60 -1.156 -11.294 2.175 468 HB3 HIS 60 1HB HIS 60 0.511 -11.777 1.914 469 HD1 HIS 60 HD1 HIS 60 2.082 -11.686 3.871 470 HD2 HIS 60 HD2 HIS 60 -1.649 -10.084 4.693 471 HE1 HIS 60 HE1 HIS 60 2.039 -11.351 6.355 472 HE2 HIS 60 HE2 HIS 60 -0.294 -10.552 6.848 473 HA PRO 61 HA PRO 61 -2.564 -6.552 0.751 474 HB2 PRO 61 2HB PRO 61 -5.031 -7.572 -0.002 475 HB3 PRO 61 1HB PRO 61 -3.678 -7.391 -1.133 476 HG2 PRO 61 2HG PRO 61 -4.556 -9.847 0.362 477 HG3 PRO 61 1HG PRO 61 -4.127 -9.676 -1.358 478 HD2 PRO 61 2HD PRO 61 -2.358 -10.662 0.431 479 HD3 PRO 61 1HD PRO 61 -1.813 -9.628 -0.907 480 H ALA 62 H ALA 62 -3.372 -9.225 2.883 481 HA ALA 62 HA ALA 62 -5.562 -8.200 4.316 482 HB1 ALA 62 1HB ALA 62 -4.740 -10.511 4.573 483 HB2 ALA 62 2HB ALA 62 -4.882 -9.716 6.140 484 HB3 ALA 62 3HB ALA 62 -3.294 -9.916 5.392 485 H ASN 63 H ASN 63 -2.117 -7.542 4.628 486 HA ASN 63 HA ASN 63 -2.356 -5.857 6.992 487 HB2 ASN 63 2HB ASN 63 -0.012 -6.537 5.143 488 HB3 ASN 63 1HB ASN 63 0.129 -5.505 6.569 489 HD21 ASN 63 1HD2 ASN 63 1.733 -7.084 7.232 490 HD22 ASN 63 2HD2 ASN 63 1.207 -8.514 8.036 491 H PHE 64 H PHE 64 -2.262 -5.522 3.542 492 HA PHE 64 HA PHE 64 -1.921 -2.601 3.591 493 HB2 PHE 64 2HB PHE 64 -1.847 -4.653 1.322 494 HB3 PHE 64 1HB PHE 64 -1.699 -2.915 1.071 495 HD1 PHE 64 HD1 PHE 64 -0.107 -5.775 2.894 496 HD2 PHE 64 HD2 PHE 64 0.459 -1.910 1.132 497 HE1 PHE 64 HE1 PHE 64 2.309 -5.962 3.255 498 HE2 PHE 64 HE2 PHE 64 2.883 -2.104 1.523 499 HZ PHE 64 HZ PHE 64 3.795 -4.132 2.582 500 H ALA 65 H ALA 65 -4.360 -4.169 4.431 501 HA ALA 65 HA ALA 65 -6.517 -4.048 2.688 502 HB1 ALA 65 1HB ALA 65 -6.546 -5.213 4.859 503 HB2 ALA 65 2HB ALA 65 -7.929 -4.129 4.700 504 HB3 ALA 65 3HB ALA 65 -6.551 -3.662 5.701 505 H THR 66 H THR 66 -5.103 -1.495 4.684 506 HA THR 66 HA THR 66 -6.277 0.532 2.919 507 HB THR 66 HB THR 66 -6.631 2.150 4.780 508 HG1 THR 66 HG1 THR 66 -6.486 0.088 6.688 509 HG21 THR 66 1HG2 THR 66 -8.669 1.236 5.823 510 HG22 THR 66 2HG2 THR 66 -8.240 -0.380 5.262 511 HG23 THR 66 3HG2 THR 66 -8.626 0.885 4.094 512 H VAL 67 H VAL 67 -4.912 2.600 3.103 513 HA VAL 67 HA VAL 67 -2.110 1.977 3.308 514 HB VAL 67 HB VAL 67 -3.411 4.701 3.027 515 HG11 VAL 67 1HG1 VAL 67 -0.526 3.914 2.489 516 HG12 VAL 67 2HG1 VAL 67 -1.107 4.953 3.792 517 HG13 VAL 67 3HG1 VAL 67 -1.244 5.487 2.119 518 HG21 VAL 67 1HG2 VAL 67 -2.989 4.496 0.589 519 HG22 VAL 67 2HG2 VAL 67 -4.080 3.240 1.172 520 HG23 VAL 67 3HG2 VAL 67 -2.391 2.851 0.835 521 H GLN 68 H GLN 68 -4.510 3.351 5.464 522 HA GLN 68 HA GLN 68 -2.827 4.259 7.538 523 HB2 GLN 68 2HB GLN 68 -5.312 4.657 7.436 524 HB3 GLN 68 1HB GLN 68 -5.578 2.956 7.804 525 HG2 GLN 68 2HG GLN 68 -5.890 4.306 9.814 526 HG3 GLN 68 1HG GLN 68 -4.478 3.264 10.009 527 HE21 GLN 68 1HE2 GLN 68 -3.637 4.631 11.632 528 HE22 GLN 68 2HE2 GLN 68 -2.942 6.171 11.273 529 H SER 69 H SER 69 -4.194 1.038 6.838 530 HA SER 69 HA SER 69 -3.149 -0.314 9.108 531 HB2 SER 69 2HB SER 69 -4.051 -1.443 6.416 532 HB3 SER 69 1HB SER 69 -3.739 -2.403 7.867 533 HG SER 69 HG SER 69 -5.412 -0.367 8.428 534 H MET 70 H MET 70 -1.945 0.219 5.810 535 HA MET 70 HA MET 70 0.178 -1.716 6.000 536 HB2 MET 70 2HB MET 70 0.660 -1.268 3.750 537 HB3 MET 70 1HB MET 70 -1.076 -0.984 3.837 538 HG2 MET 70 2HG MET 70 -0.671 1.430 3.866 539 HG3 MET 70 1HG MET 70 1.064 1.163 3.833 540 HE1 MET 70 1HE MET 70 -2.305 0.926 1.685 541 HE2 MET 70 2HE MET 70 -1.792 -0.759 1.831 542 HE3 MET 70 3HE MET 70 -1.704 0.058 0.271 543 H VAL 71 H VAL 71 -0.132 1.795 6.405 544 HA VAL 71 HA VAL 71 2.643 2.443 6.493 545 HB VAL 71 HB VAL 71 0.400 3.992 6.400 546 HG11 VAL 71 1HG1 VAL 71 -0.331 3.648 8.701 547 HG12 VAL 71 2HG1 VAL 71 0.029 5.348 8.395 548 HG13 VAL 71 3HG1 VAL 71 1.178 4.355 9.287 549 HG21 VAL 71 1HG2 VAL 71 3.070 4.979 7.473 550 HG22 VAL 71 2HG2 VAL 71 1.833 5.997 6.732 551 HG23 VAL 71 3HG2 VAL 71 2.651 4.769 5.767 552 H ALA 72 H ALA 72 0.259 1.426 8.800 553 HA ALA 72 HA ALA 72 1.792 1.882 11.181 554 HB1 ALA 72 1HB ALA 72 -0.800 0.368 10.768 555 HB2 ALA 72 2HB ALA 72 -0.671 2.106 11.050 556 HB3 ALA 72 3HB ALA 72 -0.162 0.957 12.306 557 H LEU 73 H LEU 73 1.074 -0.830 9.037 558 HA LEU 73 HA LEU 73 2.117 -3.000 10.485 559 HB2 LEU 73 2HB LEU 73 0.979 -3.743 8.581 560 HB3 LEU 73 1HB LEU 73 1.465 -2.351 7.629 561 HG LEU 73 HG LEU 73 3.806 -3.452 7.524 562 HD11 LEU 73 1HD1 LEU 73 3.556 -5.100 9.270 563 HD12 LEU 73 2HD1 LEU 73 3.922 -5.881 7.736 564 HD13 LEU 73 3HD1 LEU 73 2.273 -5.920 8.369 565 HD21 LEU 73 1HD2 LEU 73 2.355 -3.226 5.615 566 HD22 LEU 73 2HD2 LEU 73 1.520 -4.722 6.027 567 HD23 LEU 73 3HD2 LEU 73 3.221 -4.757 5.563 568 H VAL 74 H VAL 74 3.549 -0.679 8.199 569 HA VAL 74 HA VAL 74 6.137 -1.707 8.137 570 HB VAL 74 HB VAL 74 5.259 1.191 7.768 571 HG11 VAL 74 1HG1 VAL 74 7.959 -0.079 7.122 572 HG12 VAL 74 2HG1 VAL 74 7.655 1.158 8.343 573 HG13 VAL 74 3HG1 VAL 74 7.455 1.543 6.636 574 HG21 VAL 74 1HG2 VAL 74 4.306 -0.390 6.113 575 HG22 VAL 74 2HG2 VAL 74 5.921 -0.951 5.702 576 HG23 VAL 74 3HG2 VAL 74 5.449 0.713 5.345 577 H GLN 75 H GLN 75 4.700 0.738 10.323 578 HA GLN 75 HA GLN 75 7.064 1.334 11.774 579 HB2 GLN 75 2HB GLN 75 4.252 1.449 12.954 580 HB3 GLN 75 1HB GLN 75 5.643 2.434 13.381 581 HG2 GLN 75 2HG GLN 75 3.940 2.600 10.897 582 HG3 GLN 75 1HG GLN 75 4.146 3.822 12.145 583 HE21 GLN 75 1HE2 GLN 75 4.547 3.911 9.204 584 HE22 GLN 75 2HE2 GLN 75 6.158 4.494 8.985 585 H ARG 76 H ARG 76 4.782 -1.348 12.032 586 HA ARG 76 HA ARG 76 5.662 -2.360 14.562 587 HB2 ARG 76 2HB ARG 76 4.256 -3.803 12.291 588 HB3 ARG 76 1HB ARG 76 4.494 -4.442 13.916 589 HG2 ARG 76 2HG ARG 76 3.160 -2.452 14.787 590 HG3 ARG 76 1HG ARG 76 2.776 -2.081 13.108 591 HD2 ARG 76 2HD ARG 76 0.940 -3.295 14.106 592 HD3 ARG 76 1HD ARG 76 1.710 -4.332 12.897 593 HE ARG 76 HE ARG 76 2.957 -5.011 15.243 594 HH11 ARG 76 1HH1 ARG 76 -0.417 -4.972 14.233 595 HH12 ARG 76 2HH1 ARG 76 -0.864 -6.268 15.291 596 HH21 ARG 76 1HH2 ARG 76 2.341 -6.690 16.616 597 HH22 ARG 76 2HH2 ARG 76 0.693 -7.240 16.641 598 H LEU 77 H LEU 77 6.363 -3.353 11.150 599 HA LEU 77 HA LEU 77 8.321 -5.294 11.923 600 HB2 LEU 77 2HB LEU 77 8.821 -5.528 9.486 601 HB3 LEU 77 1HB LEU 77 7.131 -5.723 9.891 602 HG LEU 77 HG LEU 77 6.767 -3.329 9.072 603 HD11 LEU 77 1HD1 LEU 77 8.370 -2.394 7.433 604 HD12 LEU 77 2HD1 LEU 77 9.552 -3.620 7.905 605 HD13 LEU 77 3HD1 LEU 77 9.001 -2.415 9.081 606 HD21 LEU 77 1HD2 LEU 77 7.644 -5.402 7.052 607 HD22 LEU 77 2HD2 LEU 77 6.625 -3.996 6.722 608 HD23 LEU 77 3HD2 LEU 77 6.053 -5.258 7.806 609 H LYS 78 H LYS 78 8.476 -1.898 11.552 610 HA LYS 78 HA LYS 78 11.177 -1.451 10.890 611 HB2 LYS 78 2HB LYS 78 9.128 0.090 12.499 612 HB3 LYS 78 1HB LYS 78 10.774 0.687 12.383 613 HG2 LYS 78 2HG LYS 78 8.982 0.156 9.993 614 HG3 LYS 78 1HG LYS 78 9.168 1.732 10.755 615 HD2 LYS 78 2HD LYS 78 11.418 0.131 9.488 616 HD3 LYS 78 1HD LYS 78 10.560 1.462 8.711 617 HE2 LYS 78 2HE LYS 78 12.129 1.713 11.294 618 HE3 LYS 78 1HE LYS 78 12.743 2.154 9.700 619 HZ1 LYS 78 1HZ LYS 78 10.974 3.783 9.513 620 HZ2 LYS 78 2HZ LYS 78 11.911 4.068 10.885 621 HZ3 LYS 78 3HZ LYS 78 10.391 3.356 11.042 622 H ALA 79 H ALA 79 9.636 -2.486 13.813 623 HA ALA 79 HA ALA 79 12.017 -2.150 15.482 624 HB1 ALA 79 1HB ALA 79 9.199 -3.021 16.221 625 HB2 ALA 79 2HB ALA 79 9.847 -1.387 16.378 626 HB3 ALA 79 3HB ALA 79 10.511 -2.698 17.355 627 H HIS 80 H HIS 80 11.347 -4.395 13.254 628 HA HIS 80 HA HIS 80 11.234 -6.890 14.479 629 HB2 HIS 80 2HB HIS 80 12.282 -7.868 12.417 630 HB3 HIS 80 1HB HIS 80 10.964 -6.768 12.067 631 HD1 HIS 80 HD1 HIS 80 11.532 -5.958 9.816 632 HD2 HIS 80 HD2 HIS 80 14.821 -5.707 12.339 633 HE1 HIS 80 HE1 HIS 80 13.300 -4.772 8.496 634 HE2 HIS 80 HE2 HIS 80 15.260 -4.590 10.064 635 HA PRO 81 HA PRO 81 15.189 -7.384 16.618 636 HB2 PRO 81 2HB PRO 81 14.865 -10.329 16.108 637 HB3 PRO 81 1HB PRO 81 14.984 -9.456 17.650 638 HG2 PRO 81 2HG PRO 81 12.650 -10.508 16.842 639 HG3 PRO 81 1HG PRO 81 12.716 -8.963 17.722 640 HD2 PRO 81 2HD PRO 81 12.348 -9.430 14.762 641 HD3 PRO 81 1HD PRO 81 11.526 -8.268 15.835 642 H GLU 82 H GLU 82 14.526 -9.158 13.657 643 HA GLU 82 HA GLU 82 17.128 -8.677 12.478 644 HB2 GLU 82 2HB GLU 82 17.581 -11.099 12.135 645 HB3 GLU 82 1HB GLU 82 17.558 -10.673 13.843 646 HG2 GLU 82 2HG GLU 82 15.221 -11.543 14.002 647 HG3 GLU 82 1HG GLU 82 15.333 -12.067 12.324 648 H GLN 83 H GLN 83 17.111 -9.895 10.272 649 HA GLN 83 HA GLN 83 14.594 -10.724 9.153 650 HB2 GLN 83 2HB GLN 83 15.576 -7.969 8.653 651 HB3 GLN 83 1HB GLN 83 15.404 -8.857 7.149 652 HG2 GLN 83 2HG GLN 83 13.215 -8.481 9.215 653 HG3 GLN 83 1HG GLN 83 13.384 -7.542 7.733 654 HE21 GLN 83 1HE2 GLN 83 11.176 -9.280 8.635 655 HE22 GLN 83 2HE2 GLN 83 10.938 -10.419 7.361 656 H GLY 84 H GLY 84 15.026 -11.131 6.662 657 HA2 GLY 84 2HA GLY 84 17.750 -12.305 6.303 658 HA3 GLY 84 1HA GLY 84 16.275 -13.147 5.836 659 H GLY 85 H GLY 85 15.723 -12.963 3.736 660 HA2 GLY 85 2HA GLY 85 15.228 -11.927 1.714 661 HA3 GLY 85 1HA GLY 85 15.993 -10.446 2.271 662 H ALA 86 H ALA 86 18.442 -10.725 2.634 663 HA ALA 86 HA ALA 86 19.685 -11.745 0.192 664 HB1 ALA 86 1HB ALA 86 21.696 -10.541 0.961 665 HB2 ALA 86 2HB ALA 86 20.912 -10.172 2.501 666 HB3 ALA 86 3HB ALA 86 20.287 -9.480 1.004 667 H ALA 87 H ALA 87 21.804 -12.911 0.412 668 HA ALA 87 HA ALA 87 22.043 -14.711 2.741 669 HB1 ALA 87 1HB ALA 87 22.256 -16.690 1.281 670 HB2 ALA 87 2HB ALA 87 21.926 -15.702 -0.145 671 HB3 ALA 87 3HB ALA 87 20.674 -15.938 1.076 672 H LEU 88 H LEU 88 23.891 -13.594 3.331 673 HA LEU 88 HA LEU 88 26.022 -12.805 1.792 674 HB2 LEU 88 2HB LEU 88 27.350 -12.609 3.767 675 HB3 LEU 88 1HB LEU 88 25.708 -12.130 4.145 676 HG LEU 88 HG LEU 88 26.982 -14.787 4.914 677 HD11 LEU 88 1HD1 LEU 88 27.000 -13.942 7.200 678 HD12 LEU 88 2HD1 LEU 88 26.388 -12.380 6.644 679 HD13 LEU 88 3HD1 LEU 88 27.978 -12.948 6.129 680 HD21 LEU 88 1HD2 LEU 88 24.272 -13.709 5.770 681 HD22 LEU 88 2HD2 LEU 88 25.009 -15.229 6.289 682 HD23 LEU 88 3HD2 LEU 88 24.544 -15.006 4.602 683 H GLU 89 H GLU 89 27.756 -13.744 0.869 684 HA GLU 89 HA GLU 89 27.696 -16.672 0.703 685 HB2 GLU 89 2HB GLU 89 29.353 -16.104 -1.319 686 HB3 GLU 89 1HB GLU 89 27.616 -15.949 -1.479 687 HG2 GLU 89 2HG GLU 89 28.694 -14.074 -2.540 688 HG3 GLU 89 1HG GLU 89 27.777 -13.527 -1.144 689 H282 PNS 101 3H28 PNS 136 -0.902 -12.738 -2.972 690 H281 PNS 101 2H28 PNS 136 -0.529 -11.029 -3.107 691 H303 PNS 101 3H51 PNS 136 0.690 -11.123 -0.994 692 H302 PNS 101 2H51 PNS 136 0.347 -12.849 -0.851 693 H301 PNS 101 1H51 PNS 136 2.022 -12.268 -0.759 694 H313 PNS 101 3H52 PNS 136 3.121 -11.274 -2.824 695 H312 PNS 101 2H52 PNS 136 1.759 -10.172 -2.955 696 H311 PNS 101 1H52 PNS 136 2.221 -11.174 -4.341 697 H32 PNS 101 H32 PNS 136 2.664 -13.824 -2.486 698 H33 PNS 101 H33 PNS 136 0.039 -14.611 -3.238 699 H36 PNS 101 H36 PNS 136 3.847 -13.076 -4.137 700 H372 PNS 101 3H37 PNS 136 4.961 -13.603 -6.066 701 H371 PNS 101 2H37 PNS 136 3.449 -14.119 -6.835 702 H382 PNS 101 3H38 PNS 136 2.653 -11.783 -6.832 703 H381 PNS 101 2H38 PNS 136 4.105 -11.268 -5.977 704 H41 PNS 101 H41 PNS 136 5.003 -9.968 -7.242 705 H422 PNS 101 3H42 PNS 136 5.026 -9.463 -9.847 706 H421 PNS 101 2H42 PNS 136 6.270 -10.711 -9.700 707 H431 PNS 101 2H43 PNS 136 7.260 -8.443 -9.458 708 H432 PNS 101 3H43 PNS 136 6.160 -8.125 -8.092 709 H44 PNS 101 H44 PNS 136 8.517 -10.596 -8.156
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