NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
565225 | 2lwl | 18634 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H PHE 1 1H PHE 1 10.056 -11.943 0.736 2 HA PHE 1 HA PHE 1 8.135 -13.142 -0.049 3 HB2 PHE 1 1HB PHE 1 8.763 -13.476 2.887 4 HB3 PHE 1 2HB PHE 1 7.861 -14.647 1.932 5 HD1 PHE 1 HD1 PHE 1 8.971 -15.836 0.076 6 HD2 PHE 1 HD2 PHE 1 11.124 -13.334 2.758 7 HE1 PHE 1 HE1 PHE 1 11.075 -16.887 -0.637 8 HE2 PHE 1 HE2 PHE 1 13.231 -14.382 2.050 9 HZ PHE 1 HZ PHE 1 13.205 -16.160 0.348 10 H PHE 2 H PHE 2 7.394 -11.254 2.894 11 HA PHE 2 HA PHE 2 4.726 -12.011 3.140 12 HB2 PHE 2 1HB PHE 2 6.072 -9.421 3.897 13 HB3 PHE 2 2HB PHE 2 4.421 -9.822 4.346 14 HD1 PHE 2 HD2 PHE 2 4.349 -12.404 5.332 15 HD2 PHE 2 HD1 PHE 2 7.567 -9.634 5.607 16 HE1 PHE 2 HE2 PHE 2 5.176 -13.567 7.334 17 HE2 PHE 2 HE1 PHE 2 8.401 -10.794 7.610 18 HZ PHE 2 HZ PHE 2 7.202 -12.764 8.476 19 H ASP 3 H ASP 3 5.832 -8.890 1.756 20 HA ASP 3 HA ASP 3 3.244 -8.611 0.521 21 HB2 ASP 3 1HB ASP 3 3.976 -6.425 -0.234 22 HB3 ASP 3 2HB ASP 3 4.282 -6.634 1.483 23 H GLU 4 H GLU 4 5.954 -10.223 -0.315 24 HA GLU 4 HA GLU 4 5.799 -9.978 -3.150 25 HB2 GLU 4 1HB GLU 4 7.676 -11.121 -1.942 26 HB3 GLU 4 2HB GLU 4 6.562 -12.413 -1.513 27 HG2 GLU 4 1HG GLU 4 6.183 -12.698 -4.006 28 HG3 GLU 4 2HG GLU 4 7.593 -11.664 -4.226 29 H LYS 5 H LYS 5 4.251 -11.935 -0.685 30 HA LYS 5 HA LYS 5 2.456 -13.288 -2.426 31 HB2 LYS 5 1HB LYS 5 3.104 -13.971 -0.067 32 HB3 LYS 5 2HB LYS 5 2.047 -12.691 0.503 33 HG2 LYS 5 1HG LYS 5 0.952 -14.862 0.588 34 HG3 LYS 5 2HG LYS 5 0.139 -13.776 -0.540 35 HD2 LYS 5 1HD LYS 5 1.009 -14.899 -2.415 36 HD3 LYS 5 2HD LYS 5 2.217 -15.745 -1.449 37 HE2 LYS 5 1HE LYS 5 0.368 -17.214 -2.137 38 HE3 LYS 5 2HE LYS 5 0.495 -17.066 -0.386 39 HZ1 LYS 5 3HZ LYS 5 -1.313 -15.448 -0.446 40 HZ2 LYS 5 1HZ LYS 5 -1.790 -16.935 -1.092 41 HZ3 LYS 5 2HZ LYS 5 -1.448 -15.643 -2.122 42 H CYS 6 H CYS 6 2.437 -10.231 -0.682 43 HA CYS 6 HA CYS 6 -0.241 -9.524 -1.177 44 HB2 CYS 6 1HB CYS 6 1.300 -8.281 0.384 45 HB3 CYS 6 2HB CYS 6 2.105 -7.612 -1.030 46 HG CYS 6 HG CYS 6 0.557 -5.613 -1.301 47 H ASN 7 H ASN 7 2.691 -9.202 -3.112 48 HA ASN 7 HA ASN 7 1.654 -7.711 -5.241 49 HB2 ASN 7 1HB ASN 7 4.087 -8.463 -4.796 50 HB3 ASN 7 2HB ASN 7 3.635 -9.955 -5.608 51 HD21 ASN 7 1HD2 ASN 7 5.609 -8.034 -6.421 52 HD22 ASN 7 2HD2 ASN 7 5.129 -7.451 -7.978 53 H LYS 8 H LYS 8 1.658 -11.179 -4.598 54 HA LYS 8 HA LYS 8 0.295 -11.999 -6.931 55 HB2 LYS 8 1HB LYS 8 1.465 -13.581 -5.489 56 HB3 LYS 8 2HB LYS 8 0.355 -13.235 -4.172 57 HG2 LYS 8 1HG LYS 8 -0.216 -15.336 -5.185 58 HG3 LYS 8 2HG LYS 8 -1.489 -14.162 -5.515 59 HD2 LYS 8 1HD LYS 8 -0.555 -13.791 -7.752 60 HD3 LYS 8 2HD LYS 8 0.708 -14.978 -7.417 61 HE2 LYS 8 1HE LYS 8 -2.261 -15.512 -7.490 62 HE3 LYS 8 2HE LYS 8 -1.098 -15.955 -8.737 63 HZ1 LYS 8 3HZ LYS 8 -1.082 -16.966 -5.944 64 HZ2 LYS 8 1HZ LYS 8 0.002 -17.407 -7.163 65 HZ3 LYS 8 2HZ LYS 8 -1.630 -17.822 -7.294 66 H LEU 9 H LEU 9 -0.836 -10.876 -3.786 67 HA LEU 9 HA LEU 9 -3.623 -11.201 -4.447 68 HB2 LEU 9 1HB LEU 9 -2.093 -10.111 -2.132 69 HB3 LEU 9 2HB LEU 9 -3.762 -9.618 -2.323 70 HG LEU 9 HG LEU 9 -3.512 -11.505 -0.766 71 HD11 LEU 9 1HD1 LEU 9 -5.244 -12.925 -1.712 72 HD12 LEU 9 2HD1 LEU 9 -4.955 -12.232 -3.308 73 HD13 LEU 9 3HD1 LEU 9 -5.590 -11.222 -2.010 74 HD21 LEU 9 3HD2 LEU 9 -2.920 -13.723 -1.606 75 HD22 LEU 9 1HD2 LEU 9 -1.576 -12.593 -1.767 76 HD23 LEU 9 2HD2 LEU 9 -2.538 -13.027 -3.180 77 H LYS 10 H LYS 10 -1.380 -9.186 -5.577 78 HA LYS 10 HA LYS 10 -1.529 -7.456 -7.025 79 HB2 LYS 10 1HB LYS 10 -4.502 -7.528 -6.484 80 HB3 LYS 10 2HB LYS 10 -3.717 -6.615 -7.764 81 HG2 LYS 10 1HG LYS 10 -3.684 -9.614 -7.499 82 HG3 LYS 10 2HG LYS 10 -4.738 -8.695 -8.572 83 HD2 LYS 10 1HD LYS 10 -1.724 -8.631 -8.671 84 HD3 LYS 10 2HD LYS 10 -2.732 -9.652 -9.694 85 HE2 LYS 10 1HE LYS 10 -3.841 -7.625 -10.565 86 HE3 LYS 10 2HE LYS 10 -2.748 -6.639 -9.598 87 HZ1 LYS 10 3HZ LYS 10 -1.930 -8.508 -11.754 88 HZ2 LYS 10 1HZ LYS 10 -0.886 -7.549 -10.831 89 HZ3 LYS 10 2HZ LYS 10 -1.994 -6.822 -11.881 90 H GLY 11 H GLY 11 -1.156 -7.148 -4.142 91 HA2 GLY 11 1HA GLY 11 -2.244 -4.502 -3.595 92 HA3 GLY 11 2HA GLY 11 -1.190 -5.440 -2.541 93 H THR 12 H THR 12 -1.249 -2.646 -4.048 94 HA THR 12 HA THR 12 1.375 -2.785 -5.315 95 HB THR 12 HB THR 12 0.788 -0.290 -5.776 96 HG1 THR 12 HG1 THR 12 -1.142 -0.648 -4.256 97 HG21 THR 12 1HG2 THR 12 -0.767 -2.525 -7.074 98 HG22 THR 12 2HG2 THR 12 0.888 -2.060 -7.469 99 HG23 THR 12 3HG2 THR 12 -0.441 -0.941 -7.779 100 H CYS 13 H CYS 13 3.189 -1.946 -4.460 101 HA CYS 13 HA CYS 13 3.088 -0.954 -1.753 102 HB2 CYS 13 1HB CYS 13 5.574 -1.023 -3.457 103 HB3 CYS 13 2HB CYS 13 5.428 -1.152 -1.712 104 HG CYS 13 HG CYS 13 5.620 -3.691 -1.697 105 H LYS 14 H LYS 14 2.446 1.051 -1.453 106 HA LYS 14 HA LYS 14 3.722 3.166 -3.044 107 HB2 LYS 14 1HB LYS 14 1.586 4.491 -2.718 108 HB3 LYS 14 2HB LYS 14 1.485 3.142 -3.840 109 HG2 LYS 14 1HG LYS 14 0.354 1.796 -2.228 110 HG3 LYS 14 2HG LYS 14 0.619 2.997 -0.967 111 HD2 LYS 14 1HD LYS 14 -1.675 3.081 -1.782 112 HD3 LYS 14 2HD LYS 14 -0.819 4.575 -2.158 113 HE2 LYS 14 1HE LYS 14 -0.953 2.367 -4.169 114 HE3 LYS 14 2HE LYS 14 -2.328 3.445 -3.952 115 HZ1 LYS 14 3HZ LYS 14 -0.834 4.178 -5.721 116 HZ2 LYS 14 1HZ LYS 14 0.431 4.321 -4.613 117 HZ3 LYS 14 2HZ LYS 14 -0.924 5.320 -4.478 118 H ASN 15 H ASN 15 3.493 5.357 -1.808 119 HA ASN 15 HA ASN 15 4.702 4.903 0.746 120 HB2 ASN 15 1HB ASN 15 5.054 6.847 -1.015 121 HB3 ASN 15 2HB ASN 15 3.805 7.603 -0.047 122 HD21 ASN 15 1HD2 ASN 15 4.696 6.255 2.411 123 HD22 ASN 15 2HD2 ASN 15 6.131 7.083 2.899 124 H ASN 16 H ASN 16 1.838 6.748 -0.248 125 HA ASN 16 HA ASN 16 0.653 6.175 2.396 126 HB2 ASN 16 1HB ASN 16 -0.674 8.213 2.127 127 HB3 ASN 16 2HB ASN 16 1.041 8.577 1.994 128 HD21 ASN 16 1HD2 ASN 16 1.904 9.096 -0.042 129 HD22 ASN 16 2HD2 ASN 16 0.892 9.654 -1.331 130 H CYS 17 H CYS 17 -1.373 5.286 2.494 131 HA CYS 17 HA CYS 17 -2.194 3.789 0.210 132 HB2 CYS 17 1HB CYS 17 -3.764 4.175 2.758 133 HB3 CYS 17 2HB CYS 17 -3.847 2.825 1.636 134 HG CYS 17 HG CYS 17 -1.022 2.227 2.253 135 H GLY 18 H GLY 18 -3.880 4.089 -1.146 136 HA2 GLY 18 1HA GLY 18 -5.049 6.767 -1.141 137 HA3 GLY 18 2HA GLY 18 -4.962 5.676 -2.513 138 H LYS 19 H LYS 19 -7.140 6.148 -2.885 139 HA LYS 19 HA LYS 19 -9.330 5.989 -1.329 140 HB2 LYS 19 1HB LYS 19 -10.605 5.718 -3.276 141 HB3 LYS 19 2HB LYS 19 -9.141 6.511 -3.813 142 HG2 LYS 19 1HG LYS 19 -9.918 3.630 -4.207 143 HG3 LYS 19 2HG LYS 19 -9.764 4.880 -5.435 144 HD2 LYS 19 1HD LYS 19 -7.489 3.772 -3.788 145 HD3 LYS 19 2HD LYS 19 -7.884 3.275 -5.430 146 HE2 LYS 19 1HE LYS 19 -7.420 5.508 -6.245 147 HE3 LYS 19 2HE LYS 19 -7.120 6.068 -4.602 148 HZ1 LYS 19 3HZ LYS 19 -5.287 4.401 -4.490 149 HZ2 LYS 19 1HZ LYS 19 -5.029 5.643 -5.621 150 HZ3 LYS 19 2HZ LYS 19 -5.516 4.110 -6.144 151 H ASN 20 H ASN 20 -9.925 4.583 0.131 152 HA ASN 20 HA ASN 20 -10.544 2.670 1.174 153 HB2 ASN 20 1HB ASN 20 -10.869 1.721 -1.677 154 HB3 ASN 20 2HB ASN 20 -11.417 0.815 -0.270 155 HD21 ASN 20 1HD2 ASN 20 -13.139 1.618 0.956 156 HD22 ASN 20 2HD2 ASN 20 -14.236 2.790 0.311 157 H GLU 21 H GLU 21 -7.657 3.038 0.189 158 HA GLU 21 HA GLU 21 -6.799 0.246 0.100 159 HB2 GLU 21 1HB GLU 21 -5.353 2.859 -0.375 160 HB3 GLU 21 2HB GLU 21 -4.513 1.318 -0.294 161 HG2 GLU 21 1HG GLU 21 -5.779 0.500 -2.186 162 HG3 GLU 21 2HG GLU 21 -6.710 1.993 -2.243 163 H GLU 22 H GLU 22 -5.655 -0.732 1.669 164 HA GLU 22 HA GLU 22 -5.057 0.858 4.071 165 HB2 GLU 22 1HB GLU 22 -5.497 -1.238 5.368 166 HB3 GLU 22 2HB GLU 22 -6.915 -0.522 4.624 167 HG2 GLU 22 1HG GLU 22 -6.740 -2.177 2.800 168 HG3 GLU 22 2HG GLU 22 -5.383 -2.920 3.644 169 H LEU 23 H LEU 23 -3.297 0.117 5.360 170 HA LEU 23 HA LEU 23 -1.066 -0.807 3.764 171 HB2 LEU 23 1HB LEU 23 -1.206 0.997 5.709 172 HB3 LEU 23 2HB LEU 23 -0.939 -0.400 6.711 173 HG LEU 23 HG LEU 23 0.924 0.495 4.519 174 HD11 LEU 23 1HD1 LEU 23 2.360 1.214 6.419 175 HD12 LEU 23 2HD1 LEU 23 0.993 0.948 7.498 176 HD13 LEU 23 3HD1 LEU 23 0.893 2.171 6.233 177 HD21 LEU 23 3HD2 LEU 23 2.481 -1.048 5.583 178 HD22 LEU 23 1HD2 LEU 23 1.030 -1.883 5.031 179 HD23 LEU 23 2HD2 LEU 23 1.232 -1.508 6.739 180 H ILE 24 H ILE 24 -0.608 -2.904 3.570 181 HA ILE 24 HA ILE 24 -1.670 -4.730 5.624 182 HB ILE 24 HB ILE 24 -2.317 -6.266 4.026 183 HG12 ILE 24 1HG1 ILE 24 -1.321 -5.705 1.532 184 HG13 ILE 24 2HG1 ILE 24 0.050 -5.326 2.572 185 HG21 ILE 24 1HG2 ILE 24 -3.557 -4.159 3.763 186 HG22 ILE 24 2HG2 ILE 24 -3.486 -5.108 2.279 187 HG23 ILE 24 3HG2 ILE 24 -2.446 -3.698 2.470 188 HD11 ILE 24 3HD1 ILE 24 0.150 -7.624 1.818 189 HD12 ILE 24 1HD1 ILE 24 -1.449 -7.936 2.493 190 HD13 ILE 24 2HD1 ILE 24 -0.097 -7.561 3.562 191 H ALA 25 H ALA 25 1.157 -3.704 3.953 192 HA ALA 25 HA ALA 25 2.792 -5.420 5.590 193 HB1 ALA 25 3HB ALA 25 2.854 -5.757 2.594 194 HB2 ALA 25 1HB ALA 25 2.260 -6.941 3.757 195 HB3 ALA 25 2HB ALA 25 3.970 -6.500 3.742 196 H LEU 26 H LEU 26 4.930 -4.806 5.660 197 HA LEU 26 HA LEU 26 5.397 -2.079 4.709 198 HB2 LEU 26 1HB LEU 26 6.598 -3.755 6.889 199 HB3 LEU 26 2HB LEU 26 7.331 -2.243 6.377 200 HG LEU 26 HG LEU 26 4.563 -2.569 7.546 201 HD11 LEU 26 1HD1 LEU 26 6.303 -2.892 9.200 202 HD12 LEU 26 2HD1 LEU 26 5.497 -1.344 9.453 203 HD13 LEU 26 3HD1 LEU 26 7.088 -1.397 8.696 204 HD21 LEU 26 3HD2 LEU 26 4.529 -0.119 7.591 205 HD22 LEU 26 1HD2 LEU 26 4.625 -0.742 5.944 206 HD23 LEU 26 2HD2 LEU 26 6.064 -0.086 6.725 207 H CYS 27 H CYS 27 6.605 -1.806 2.988 208 HA CYS 27 HA CYS 27 8.353 -3.967 2.087 209 HB2 CYS 27 1HB CYS 27 7.465 -1.457 0.645 210 HB3 CYS 27 2HB CYS 27 8.293 -2.831 -0.075 211 HG CYS 27 HG CYS 27 6.226 -4.536 -0.080 212 H GLN 28 H GLN 28 10.322 -2.961 0.769 213 HA GLN 28 HA GLN 28 11.866 -1.408 2.660 214 HB2 GLN 28 1HB GLN 28 12.662 -2.422 -0.065 215 HB3 GLN 28 2HB GLN 28 13.741 -1.809 1.173 216 HG2 GLN 28 1HG GLN 28 12.045 -4.275 1.470 217 HG3 GLN 28 2HG GLN 28 13.734 -4.275 0.975 218 HE21 GLN 28 1HE2 GLN 28 14.481 -2.119 2.762 219 HE22 GLN 28 2HE2 GLN 28 14.501 -2.789 4.355 220 H LYS 29 H LYS 29 13.277 0.380 1.642 221 HA LYS 29 HA LYS 29 13.455 2.439 0.672 222 HB2 LYS 29 1HB LYS 29 11.466 1.312 -1.288 223 HB3 LYS 29 2HB LYS 29 12.387 2.787 -1.523 224 HG2 LYS 29 1HG LYS 29 14.411 1.609 -1.744 225 HG3 LYS 29 2HG LYS 29 13.705 0.124 -1.102 226 HD2 LYS 29 1HD LYS 29 12.870 1.429 -3.692 227 HD3 LYS 29 2HD LYS 29 14.025 0.100 -3.574 228 HE2 LYS 29 1HE LYS 29 12.309 -1.310 -2.559 229 HE3 LYS 29 2HE LYS 29 11.150 0.016 -2.644 230 HZ1 LYS 29 3HZ LYS 29 12.456 -1.273 -4.977 231 HZ2 LYS 29 1HZ LYS 29 11.315 -0.026 -5.041 232 HZ3 LYS 29 2HZ LYS 29 10.870 -1.552 -4.465 233 H SER 30 H SER 30 11.115 1.567 2.472 234 HA SER 30 HA SER 30 9.583 2.656 3.717 235 HB2 SER 30 1HB SER 30 10.269 5.043 1.998 236 HB3 SER 30 2HB SER 30 9.193 5.094 3.395 237 HG SER 30 HG SER 30 11.892 4.205 3.463 238 H LEU 31 H LEU 31 9.111 1.580 0.746 239 HA LEU 31 HA LEU 31 6.475 2.611 0.291 240 HB2 LEU 31 1HB LEU 31 8.019 0.274 -0.822 241 HB3 LEU 31 2HB LEU 31 6.341 0.539 -1.219 242 HG LEU 31 HG LEU 31 7.852 1.368 -2.939 243 HD11 LEU 31 1HD1 LEU 31 6.350 3.550 -1.514 244 HD12 LEU 31 2HD1 LEU 31 5.673 2.403 -2.671 245 HD13 LEU 31 3HD1 LEU 31 6.870 3.588 -3.199 246 HD21 LEU 31 3HD2 LEU 31 9.750 2.002 -1.595 247 HD22 LEU 31 1HD2 LEU 31 8.814 3.299 -0.855 248 HD23 LEU 31 2HD2 LEU 31 9.204 3.361 -2.574 249 H LYS 32 H LYS 32 4.506 1.472 0.597 250 HA LYS 32 HA LYS 32 4.647 -0.837 2.424 251 HB2 LYS 32 1HB LYS 32 2.623 1.412 2.569 252 HB3 LYS 32 2HB LYS 32 2.637 -0.023 3.578 253 HG2 LYS 32 1HG LYS 32 3.556 1.538 4.979 254 HG3 LYS 32 2HG LYS 32 5.001 0.817 4.273 255 HD2 LYS 32 1HD LYS 32 5.157 2.656 2.681 256 HD3 LYS 32 2HD LYS 32 3.681 3.366 3.337 257 HE2 LYS 32 1HE LYS 32 6.210 2.904 4.911 258 HE3 LYS 32 2HE LYS 32 5.764 4.436 4.164 259 HZ1 LYS 32 3HZ LYS 32 3.785 4.492 5.552 260 HZ2 LYS 32 1HZ LYS 32 5.180 4.390 6.501 261 HZ3 LYS 32 2HZ LYS 32 4.215 3.024 6.267 262 H CYS 33 H CYS 33 3.297 -2.527 1.883 263 HA CYS 33 HA CYS 33 2.109 -2.376 -0.724 264 HB2 CYS 33 1HB CYS 33 3.025 -4.477 0.890 265 HB3 CYS 33 2HB CYS 33 1.283 -4.715 0.762 266 HG CYS 33 HG CYS 33 3.386 -4.350 -1.921 267 H CYS 34 H CYS 34 0.314 -1.338 -1.018 268 HA CYS 34 HA CYS 34 -1.752 -1.442 1.068 269 HB2 CYS 34 1HB CYS 34 -1.408 0.617 -1.120 270 HB3 CYS 34 2HB CYS 34 -2.540 0.686 0.227 271 HG CYS 34 HG CYS 34 0.860 0.719 0.627 272 H ARG 35 H ARG 35 -3.598 -2.397 0.622 273 HA ARG 35 HA ARG 35 -4.022 -3.416 -2.092 274 HB2 ARG 35 1HB ARG 35 -5.387 -4.109 0.514 275 HB3 ARG 35 2HB ARG 35 -5.712 -4.880 -1.027 276 HG2 ARG 35 1HG ARG 35 -3.496 -5.800 -1.098 277 HG3 ARG 35 2HG ARG 35 -3.045 -4.914 0.361 278 HD2 ARG 35 1HD ARG 35 -3.529 -7.091 1.114 279 HD3 ARG 35 2HD ARG 35 -4.963 -6.139 1.493 280 HE ARG 35 HE ARG 35 -5.127 -7.438 -1.060 281 HH11 ARG 35 1HH1 ARG 35 -5.683 -7.774 2.379 282 HH12 ARG 35 2HH1 ARG 35 -6.838 -9.056 2.200 283 HH21 ARG 35 1HH2 ARG 35 -6.676 -9.111 -1.304 284 HH22 ARG 35 2HH2 ARG 35 -7.416 -9.803 0.104 285 H THR 36 H THR 36 -5.585 -2.672 -3.381 286 HA THR 36 HA THR 36 -7.257 -0.485 -2.524 287 HB THR 36 HB THR 36 -7.417 -1.958 -5.160 288 HG1 THR 36 HG1 THR 36 -5.443 -0.286 -4.149 289 HG21 THR 36 1HG2 THR 36 -8.224 0.193 -5.999 290 HG22 THR 36 2HG2 THR 36 -8.040 0.897 -4.392 291 HG23 THR 36 3HG2 THR 36 -9.233 -0.372 -4.665 292 H ILE 37 H ILE 37 -8.597 -1.304 -0.981 293 HA ILE 37 HA ILE 37 -9.930 -3.797 -1.211 294 HB ILE 37 HB ILE 37 -10.497 -1.499 0.656 295 HG12 ILE 37 1HG1 ILE 37 -8.160 -2.082 0.805 296 HG13 ILE 37 2HG1 ILE 37 -8.983 -2.713 2.218 297 HG21 ILE 37 1HG2 ILE 37 -11.193 -3.461 2.154 298 HG22 ILE 37 2HG2 ILE 37 -11.277 -4.385 0.654 299 HG23 ILE 37 3HG2 ILE 37 -12.288 -2.960 0.868 300 HD11 ILE 37 3HD1 ILE 37 -8.056 -4.253 -0.184 301 HD12 ILE 37 1HD1 ILE 37 -9.049 -4.931 1.103 302 HD13 ILE 37 2HD1 ILE 37 -7.429 -4.343 1.462 303 H GLN 38 H GLN 38 -12.047 -4.261 -1.643 304 HA GLN 38 HA GLN 38 -13.492 -2.359 -3.251 305 HB2 GLN 38 1HB GLN 38 -15.145 -4.258 -3.448 306 HB3 GLN 38 2HB GLN 38 -13.529 -4.599 -4.042 307 HG2 GLN 38 1HG GLN 38 -13.013 -5.851 -2.046 308 HG3 GLN 38 2HG GLN 38 -14.569 -5.425 -1.342 309 HE21 GLN 38 1HE2 GLN 38 -15.203 -7.560 -1.128 310 HE22 GLN 38 2HE2 GLN 38 -15.639 -8.534 -2.486 311 HA PRO 39 HA PRO 39 -15.980 -1.022 0.239 312 HB2 PRO 39 1HB PRO 39 -17.446 0.681 -1.554 313 HB3 PRO 39 2HB PRO 39 -16.218 1.139 -0.375 314 HG2 PRO 39 1HG PRO 39 -15.893 1.321 -3.095 315 HG3 PRO 39 2HG PRO 39 -14.559 1.172 -1.937 316 HD2 PRO 39 1HD PRO 39 -15.831 -0.928 -3.648 317 HD3 PRO 39 2HD PRO 39 -14.119 -0.680 -3.242 318 H SER 40 H SER 40 -18.482 -0.368 0.308 319 HA SER 40 HA SER 40 -20.674 -0.896 0.071 320 HB2 SER 40 1HB SER 40 -20.214 -1.225 -2.385 321 HB3 SER 40 2HB SER 40 -19.936 -2.929 -2.036 322 HG SER 40 HG SER 40 -22.005 -3.215 -2.011 323 H GLY 41 H GLY 41 -18.524 -3.680 -0.089 324 HA2 GLY 41 1HA GLY 41 -20.236 -5.075 1.854 325 HA3 GLY 41 2HA GLY 41 -18.988 -5.824 0.866 326 H SER 42 H SER 42 -18.815 -6.531 3.378 327 HA SER 42 HA SER 42 -17.347 -4.758 5.061 328 HB2 SER 42 1HB SER 42 -17.466 -7.742 5.154 329 HB3 SER 42 2HB SER 42 -16.969 -6.686 6.469 330 HG SER 42 HG SER 42 -19.547 -6.623 5.262 331 H ILE 43 H ILE 43 -15.845 -4.143 3.439 332 HA ILE 43 HA ILE 43 -13.820 -4.118 2.393 333 HB ILE 43 HB ILE 43 -11.935 -4.806 4.059 334 HG12 ILE 43 1HG1 ILE 43 -14.157 -4.431 6.061 335 HG13 ILE 43 2HG1 ILE 43 -13.736 -6.049 5.512 336 HG21 ILE 43 1HG2 ILE 43 -13.854 -2.548 4.618 337 HG22 ILE 43 2HG2 ILE 43 -12.532 -2.527 3.452 338 HG23 ILE 43 3HG2 ILE 43 -12.185 -2.641 5.177 339 HD11 ILE 43 3HD1 ILE 43 -12.635 -5.529 7.601 340 HD12 ILE 43 1HD1 ILE 43 -11.914 -4.084 6.892 341 HD13 ILE 43 2HD1 ILE 43 -11.439 -5.680 6.314 342 H ILE 44 H ILE 44 -12.100 -6.485 4.028 343 HA ILE 44 HA ILE 44 -12.569 -8.477 1.937 344 HB ILE 44 HB ILE 44 -10.220 -8.898 1.703 345 HG12 ILE 44 1HG1 ILE 44 -9.551 -8.236 4.039 346 HG13 ILE 44 2HG1 ILE 44 -8.463 -7.686 2.775 347 HG21 ILE 44 1HG2 ILE 44 -10.810 -5.977 1.411 348 HG22 ILE 44 2HG2 ILE 44 -11.208 -7.241 0.246 349 HG23 ILE 44 3HG2 ILE 44 -9.519 -6.851 0.582 350 HD11 ILE 44 3HD1 ILE 44 -9.556 -5.445 2.908 351 HD12 ILE 44 1HD1 ILE 44 -8.720 -5.944 4.380 352 HD13 ILE 44 2HD1 ILE 44 -10.473 -6.045 4.289 353 H ASP 45 H ASP 45 -13.027 -8.003 4.992 354 HA ASP 45 HA ASP 45 -12.122 -10.670 5.786 355 HB2 ASP 45 1HB ASP 45 -10.470 -9.042 6.646 356 HB3 ASP 45 2HB ASP 45 -11.762 -8.194 7.489 Start of MODEL 2 1 H PHE 1 1H PHE 1 10.336 -11.160 0.037 2 HA PHE 1 HA PHE 1 8.617 -13.447 0.765 3 HB2 PHE 1 1HB PHE 1 10.387 -11.675 2.462 4 HB3 PHE 1 2HB PHE 1 9.206 -12.805 3.111 5 HD1 PHE 1 HD1 PHE 1 9.537 -15.228 2.840 6 HD2 PHE 1 HD2 PHE 1 12.497 -12.412 1.658 7 HE1 PHE 1 HE1 PHE 1 11.220 -17.021 2.800 8 HE2 PHE 1 HE2 PHE 1 14.187 -14.199 1.613 9 HZ PHE 1 HZ PHE 1 13.549 -16.508 2.186 10 H PHE 2 H PHE 2 9.214 -10.056 1.718 11 HA PHE 2 HA PHE 2 6.693 -9.622 2.783 12 HB2 PHE 2 1HB PHE 2 8.730 -7.724 1.648 13 HB3 PHE 2 2HB PHE 2 7.216 -7.155 2.341 14 HD1 PHE 2 HD1 PHE 2 6.709 -7.668 4.734 15 HD2 PHE 2 HD2 PHE 2 10.543 -8.331 3.019 16 HE1 PHE 2 HE1 PHE 2 7.701 -7.727 6.983 17 HE2 PHE 2 HE2 PHE 2 11.542 -8.391 5.262 18 HZ PHE 2 HZ PHE 2 10.119 -8.088 7.249 19 H ASP 3 H ASP 3 7.827 -8.614 -0.471 20 HA ASP 3 HA ASP 3 5.074 -8.008 -1.110 21 HB2 ASP 3 1HB ASP 3 5.880 -7.100 -3.211 22 HB3 ASP 3 2HB ASP 3 6.739 -6.406 -1.845 23 H GLU 4 H GLU 4 6.815 -10.749 -1.101 24 HA GLU 4 HA GLU 4 5.691 -12.009 -3.420 25 HB2 GLU 4 1HB GLU 4 7.653 -12.900 -2.077 26 HB3 GLU 4 2HB GLU 4 6.509 -13.319 -0.812 27 HG2 GLU 4 1HG GLU 4 7.063 -15.253 -2.157 28 HG3 GLU 4 2HG GLU 4 5.361 -14.831 -2.337 29 H LYS 5 H LYS 5 4.867 -11.599 -0.039 30 HA LYS 5 HA LYS 5 2.304 -12.776 -0.097 31 HB2 LYS 5 1HB LYS 5 3.607 -12.174 1.961 32 HB3 LYS 5 2HB LYS 5 3.273 -10.485 1.620 33 HG2 LYS 5 1HG LYS 5 1.757 -11.240 3.304 34 HG3 LYS 5 2HG LYS 5 0.848 -10.979 1.814 35 HD2 LYS 5 1HD LYS 5 0.759 -13.321 1.366 36 HD3 LYS 5 2HD LYS 5 1.905 -13.667 2.662 37 HE2 LYS 5 1HE LYS 5 -0.864 -12.523 3.026 38 HE3 LYS 5 2HE LYS 5 -0.410 -14.205 3.298 39 HZ1 LYS 5 3HZ LYS 5 0.583 -11.837 4.791 40 HZ2 LYS 5 1HZ LYS 5 1.163 -13.412 5.000 41 HZ3 LYS 5 2HZ LYS 5 -0.443 -13.046 5.376 42 H CYS 6 H CYS 6 3.512 -9.505 -0.716 43 HA CYS 6 HA CYS 6 1.076 -8.183 -1.040 44 HB2 CYS 6 1HB CYS 6 3.366 -7.123 -0.942 45 HB3 CYS 6 2HB CYS 6 3.612 -7.643 -2.603 46 HG CYS 6 HG CYS 6 2.068 -5.869 -3.790 47 H ASN 7 H ASN 7 3.036 -9.987 -3.362 48 HA ASN 7 HA ASN 7 1.545 -9.490 -5.673 49 HB2 ASN 7 1HB ASN 7 3.790 -10.619 -5.558 50 HB3 ASN 7 2HB ASN 7 2.971 -12.070 -5.003 51 HD21 ASN 7 1HD2 ASN 7 3.494 -13.322 -6.746 52 HD22 ASN 7 2HD2 ASN 7 2.860 -13.054 -8.332 53 H LYS 8 H LYS 8 1.270 -12.045 -3.254 54 HA LYS 8 HA LYS 8 -0.814 -13.493 -4.424 55 HB2 LYS 8 1HB LYS 8 0.451 -14.382 -2.555 56 HB3 LYS 8 2HB LYS 8 -0.146 -13.107 -1.502 57 HG2 LYS 8 1HG LYS 8 -1.294 -15.200 -1.071 58 HG3 LYS 8 2HG LYS 8 -2.413 -13.991 -1.704 59 HD2 LYS 8 1HD LYS 8 -2.180 -15.003 -3.948 60 HD3 LYS 8 2HD LYS 8 -1.140 -16.248 -3.253 61 HE2 LYS 8 1HE LYS 8 -4.018 -15.719 -2.521 62 HE3 LYS 8 2HE LYS 8 -3.428 -17.054 -3.510 63 HZ1 LYS 8 3HZ LYS 8 -2.168 -17.847 -1.594 64 HZ2 LYS 8 1HZ LYS 8 -3.824 -17.769 -1.253 65 HZ3 LYS 8 2HZ LYS 8 -2.781 -16.584 -0.650 66 H LEU 9 H LEU 9 -0.944 -10.716 -2.207 67 HA LEU 9 HA LEU 9 -3.838 -10.743 -2.231 68 HB2 LEU 9 1HB LEU 9 -1.809 -8.953 -0.927 69 HB3 LEU 9 2HB LEU 9 -3.509 -8.543 -0.946 70 HG LEU 9 HG LEU 9 -3.097 -9.525 1.156 71 HD11 LEU 9 1HD1 LEU 9 -4.496 -11.482 1.177 72 HD12 LEU 9 2HD1 LEU 9 -4.257 -11.716 -0.553 73 HD13 LEU 9 3HD1 LEU 9 -5.142 -10.307 0.032 74 HD21 LEU 9 3HD2 LEU 9 -1.997 -11.653 1.488 75 HD22 LEU 9 1HD2 LEU 9 -0.938 -10.541 0.619 76 HD23 LEU 9 2HD2 LEU 9 -1.769 -11.832 -0.252 77 H LYS 10 H LYS 10 -1.582 -9.746 -4.362 78 HA LYS 10 HA LYS 10 -1.606 -8.472 -6.229 79 HB2 LYS 10 1HB LYS 10 -4.582 -8.349 -5.717 80 HB3 LYS 10 2HB LYS 10 -3.786 -7.919 -7.223 81 HG2 LYS 10 1HG LYS 10 -3.787 -10.651 -5.965 82 HG3 LYS 10 2HG LYS 10 -4.792 -10.140 -7.321 83 HD2 LYS 10 1HD LYS 10 -2.777 -9.716 -8.646 84 HD3 LYS 10 2HD LYS 10 -1.777 -10.226 -7.286 85 HE2 LYS 10 1HE LYS 10 -2.003 -12.023 -8.904 86 HE3 LYS 10 2HE LYS 10 -2.779 -12.451 -7.382 87 HZ1 LYS 10 3HZ LYS 10 -4.213 -11.401 -9.756 88 HZ2 LYS 10 1HZ LYS 10 -4.912 -11.970 -8.327 89 HZ3 LYS 10 2HZ LYS 10 -4.101 -13.038 -9.357 90 H GLY 11 H GLY 11 -0.957 -7.182 -3.860 91 HA2 GLY 11 1HA GLY 11 -2.339 -4.596 -3.961 92 HA3 GLY 11 2HA GLY 11 -1.260 -5.139 -2.684 93 H THR 12 H THR 12 -0.814 -2.684 -3.489 94 HA THR 12 HA THR 12 1.603 -2.910 -5.148 95 HB THR 12 HB THR 12 1.003 -0.409 -5.707 96 HG1 THR 12 HG1 THR 12 -1.511 -1.584 -5.051 97 HG21 THR 12 1HG2 THR 12 1.255 -2.176 -7.369 98 HG22 THR 12 2HG2 THR 12 -0.135 -1.159 -7.752 99 HG23 THR 12 3HG2 THR 12 -0.376 -2.748 -7.025 100 H CYS 13 H CYS 13 3.402 -1.987 -4.309 101 HA CYS 13 HA CYS 13 3.267 -1.001 -1.609 102 HB2 CYS 13 1HB CYS 13 5.788 -0.856 -3.214 103 HB3 CYS 13 2HB CYS 13 5.554 -1.281 -1.525 104 HG CYS 13 HG CYS 13 5.841 -3.781 -1.918 105 H LYS 14 H LYS 14 2.581 0.998 -1.287 106 HA LYS 14 HA LYS 14 3.892 3.153 -2.784 107 HB2 LYS 14 1HB LYS 14 1.814 4.425 -2.896 108 HB3 LYS 14 2HB LYS 14 1.638 2.885 -3.727 109 HG2 LYS 14 1HG LYS 14 0.463 1.973 -1.798 110 HG3 LYS 14 2HG LYS 14 0.652 3.511 -0.954 111 HD2 LYS 14 1HD LYS 14 -1.555 3.427 -1.872 112 HD3 LYS 14 2HD LYS 14 -0.618 4.603 -2.796 113 HE2 LYS 14 1HE LYS 14 -0.262 2.946 -4.552 114 HE3 LYS 14 2HE LYS 14 -1.159 1.749 -3.619 115 HZ1 LYS 14 3HZ LYS 14 -3.126 3.133 -3.788 116 HZ2 LYS 14 1HZ LYS 14 -2.532 2.753 -5.329 117 HZ3 LYS 14 2HZ LYS 14 -2.265 4.290 -4.678 118 H ASN 15 H ASN 15 3.336 5.335 -1.553 119 HA ASN 15 HA ASN 15 4.223 4.823 1.159 120 HB2 ASN 15 1HB ASN 15 4.053 7.335 -0.498 121 HB3 ASN 15 2HB ASN 15 4.592 7.311 1.171 122 HD21 ASN 15 1HD2 ASN 15 6.587 6.373 1.673 123 HD22 ASN 15 2HD2 ASN 15 7.772 6.055 0.450 124 H ASN 16 H ASN 16 1.697 6.784 -0.447 125 HA ASN 16 HA ASN 16 0.235 6.739 2.114 126 HB2 ASN 16 1HB ASN 16 -0.853 8.800 1.480 127 HB3 ASN 16 2HB ASN 16 0.884 9.011 1.311 128 HD21 ASN 16 1HD2 ASN 16 1.780 9.099 -0.784 129 HD22 ASN 16 2HD2 ASN 16 0.806 9.509 -2.155 130 H CYS 17 H CYS 17 -1.699 5.802 2.206 131 HA CYS 17 HA CYS 17 -2.513 4.133 0.048 132 HB2 CYS 17 1HB CYS 17 -4.002 4.760 2.603 133 HB3 CYS 17 2HB CYS 17 -4.270 3.383 1.545 134 HG CYS 17 HG CYS 17 -1.449 2.595 2.038 135 H GLY 18 H GLY 18 -4.110 4.364 -1.400 136 HA2 GLY 18 1HA GLY 18 -5.316 7.000 -1.642 137 HA3 GLY 18 2HA GLY 18 -5.342 5.722 -2.846 138 H LYS 19 H LYS 19 -7.586 6.156 -3.123 139 HA LYS 19 HA LYS 19 -9.492 6.216 -1.130 140 HB2 LYS 19 1HB LYS 19 -11.038 5.307 -3.069 141 HB3 LYS 19 2HB LYS 19 -10.399 6.939 -3.078 142 HG2 LYS 19 1HG LYS 19 -10.133 6.143 -5.263 143 HG3 LYS 19 2HG LYS 19 -8.531 6.055 -4.543 144 HD2 LYS 19 1HD LYS 19 -8.743 3.684 -4.222 145 HD3 LYS 19 2HD LYS 19 -10.429 3.725 -4.738 146 HE2 LYS 19 1HE LYS 19 -8.999 2.895 -6.522 147 HE3 LYS 19 2HE LYS 19 -9.733 4.434 -6.969 148 HZ1 LYS 19 3HZ LYS 19 -6.965 4.071 -5.964 149 HZ2 LYS 19 1HZ LYS 19 -7.664 5.545 -6.409 150 HZ3 LYS 19 2HZ LYS 19 -7.398 4.347 -7.571 151 H ASN 20 H ASN 20 -9.880 4.849 0.374 152 HA ASN 20 HA ASN 20 -10.307 2.960 1.545 153 HB2 ASN 20 1HB ASN 20 -12.194 2.999 -0.197 154 HB3 ASN 20 2HB ASN 20 -11.295 1.733 -1.025 155 HD21 ASN 20 1HD2 ASN 20 -12.928 0.231 -0.718 156 HD22 ASN 20 2HD2 ASN 20 -13.262 -0.472 0.826 157 H GLU 21 H GLU 21 -7.730 3.084 1.030 158 HA GLU 21 HA GLU 21 -6.998 0.318 0.319 159 HB2 GLU 21 1HB GLU 21 -5.603 2.918 -0.211 160 HB3 GLU 21 2HB GLU 21 -4.637 1.470 0.030 161 HG2 GLU 21 1HG GLU 21 -5.932 0.383 -1.773 162 HG3 GLU 21 2HG GLU 21 -6.743 1.918 -2.072 163 H GLU 22 H GLU 22 -5.628 -0.778 1.679 164 HA GLU 22 HA GLU 22 -5.091 0.559 4.257 165 HB2 GLU 22 1HB GLU 22 -5.333 -1.687 5.297 166 HB3 GLU 22 2HB GLU 22 -6.813 -1.083 4.566 167 HG2 GLU 22 1HG GLU 22 -6.480 -2.511 2.644 168 HG3 GLU 22 2HG GLU 22 -4.939 -3.056 3.292 169 H LEU 23 H LEU 23 -3.217 -0.128 5.435 170 HA LEU 23 HA LEU 23 -1.012 -0.854 3.677 171 HB2 LEU 23 1HB LEU 23 -1.314 0.912 5.831 172 HB3 LEU 23 2HB LEU 23 -0.311 -0.384 6.444 173 HG LEU 23 HG LEU 23 1.475 0.152 5.056 174 HD11 LEU 23 1HD1 LEU 23 1.129 1.583 2.995 175 HD12 LEU 23 2HD1 LEU 23 -0.598 1.289 3.205 176 HD13 LEU 23 3HD1 LEU 23 0.506 -0.067 2.936 177 HD21 LEU 23 3HD2 LEU 23 1.801 2.521 5.126 178 HD22 LEU 23 1HD2 LEU 23 0.959 2.019 6.593 179 HD23 LEU 23 2HD2 LEU 23 0.066 2.803 5.289 180 H ILE 24 H ILE 24 -0.570 -2.921 3.465 181 HA ILE 24 HA ILE 24 -1.544 -4.762 5.545 182 HB ILE 24 HB ILE 24 -2.219 -6.261 3.845 183 HG12 ILE 24 1HG1 ILE 24 -1.440 -5.394 1.370 184 HG13 ILE 24 2HG1 ILE 24 -0.019 -5.013 2.329 185 HG21 ILE 24 1HG2 ILE 24 -3.435 -4.074 3.966 186 HG22 ILE 24 2HG2 ILE 24 -3.608 -4.952 2.450 187 HG23 ILE 24 3HG2 ILE 24 -2.515 -3.570 2.546 188 HD11 ILE 24 3HD1 ILE 24 -1.313 -7.717 2.099 189 HD12 ILE 24 1HD1 ILE 24 0.110 -7.334 3.068 190 HD13 ILE 24 2HD1 ILE 24 0.178 -7.202 1.311 191 H ALA 25 H ALA 25 1.275 -3.768 3.817 192 HA ALA 25 HA ALA 25 2.900 -5.572 5.386 193 HB1 ALA 25 3HB ALA 25 2.944 -5.860 2.381 194 HB2 ALA 25 1HB ALA 25 2.271 -7.036 3.510 195 HB3 ALA 25 2HB ALA 25 3.999 -6.686 3.528 196 H LEU 26 H LEU 26 5.226 -5.229 4.963 197 HA LEU 26 HA LEU 26 5.665 -2.432 4.177 198 HB2 LEU 26 1HB LEU 26 5.852 -2.695 6.520 199 HB3 LEU 26 2HB LEU 26 6.894 -4.082 6.374 200 HG LEU 26 HG LEU 26 7.965 -1.951 7.183 201 HD11 LEU 26 1HD1 LEU 26 9.992 -2.173 5.871 202 HD12 LEU 26 2HD1 LEU 26 9.113 -3.089 4.646 203 HD13 LEU 26 3HD1 LEU 26 9.314 -3.751 6.268 204 HD21 LEU 26 3HD2 LEU 26 6.736 -0.400 5.702 205 HD22 LEU 26 1HD2 LEU 26 7.639 -1.044 4.331 206 HD23 LEU 26 2HD2 LEU 26 8.489 -0.194 5.617 207 H CYS 27 H CYS 27 7.197 -1.977 2.822 208 HA CYS 27 HA CYS 27 8.773 -4.199 1.701 209 HB2 CYS 27 1HB CYS 27 7.330 -1.938 0.332 210 HB3 CYS 27 2HB CYS 27 8.593 -2.854 -0.477 211 HG CYS 27 HG CYS 27 6.285 -4.810 0.915 212 H GLN 28 H GLN 28 10.541 -3.095 0.156 213 HA GLN 28 HA GLN 28 12.261 -1.680 1.954 214 HB2 GLN 28 1HB GLN 28 12.681 -2.234 -0.977 215 HB3 GLN 28 2HB GLN 28 13.914 -1.818 0.198 216 HG2 GLN 28 1HG GLN 28 13.609 -3.896 1.350 217 HG3 GLN 28 2HG GLN 28 12.234 -4.307 0.331 218 HE21 GLN 28 1HE2 GLN 28 13.546 -3.296 -2.088 219 HE22 GLN 28 2HE2 GLN 28 14.729 -4.486 -2.505 220 H LYS 29 H LYS 29 13.492 0.280 1.054 221 HA LYS 29 HA LYS 29 13.480 2.503 0.557 222 HB2 LYS 29 1HB LYS 29 11.167 1.797 -1.242 223 HB3 LYS 29 2HB LYS 29 12.062 3.307 -1.281 224 HG2 LYS 29 1HG LYS 29 14.056 2.138 -1.996 225 HG3 LYS 29 2HG LYS 29 13.223 0.588 -1.855 226 HD2 LYS 29 1HD LYS 29 12.501 2.831 -3.744 227 HD3 LYS 29 2HD LYS 29 13.308 1.324 -4.180 228 HE2 LYS 29 1HE LYS 29 10.521 1.578 -3.039 229 HE3 LYS 29 2HE LYS 29 10.922 1.256 -4.724 230 HZ1 LYS 29 3HZ LYS 29 11.942 -0.821 -4.058 231 HZ2 LYS 29 1HZ LYS 29 10.339 -0.765 -3.530 232 HZ3 LYS 29 2HZ LYS 29 11.597 -0.511 -2.435 233 H SER 30 H SER 30 11.468 1.099 2.445 234 HA SER 30 HA SER 30 10.119 1.771 4.138 235 HB2 SER 30 1HB SER 30 10.279 4.565 2.992 236 HB3 SER 30 2HB SER 30 9.737 4.116 4.608 237 HG SER 30 HG SER 30 12.344 3.678 3.560 238 H LEU 31 H LEU 31 9.291 1.370 1.117 239 HA LEU 31 HA LEU 31 6.675 2.500 0.987 240 HB2 LEU 31 1HB LEU 31 8.169 0.394 -0.549 241 HB3 LEU 31 2HB LEU 31 6.454 0.600 -0.797 242 HG LEU 31 HG LEU 31 7.996 1.765 -2.428 243 HD11 LEU 31 1HD1 LEU 31 6.004 3.442 -0.917 244 HD12 LEU 31 2HD1 LEU 31 5.638 2.324 -2.231 245 HD13 LEU 31 3HD1 LEU 31 6.599 3.769 -2.542 246 HD21 LEU 31 3HD2 LEU 31 9.578 2.607 -0.708 247 HD22 LEU 31 1HD2 LEU 31 8.335 3.744 -0.198 248 HD23 LEU 31 2HD2 LEU 31 9.000 3.837 -1.829 249 H LYS 32 H LYS 32 4.663 1.372 1.184 250 HA LYS 32 HA LYS 32 4.811 -1.261 2.485 251 HB2 LYS 32 1HB LYS 32 3.112 1.083 3.316 252 HB3 LYS 32 2HB LYS 32 2.672 -0.567 3.719 253 HG2 LYS 32 1HG LYS 32 5.351 -0.233 4.505 254 HG3 LYS 32 2HG LYS 32 4.468 1.188 5.040 255 HD2 LYS 32 1HD LYS 32 2.796 -0.270 6.108 256 HD3 LYS 32 2HD LYS 32 3.759 -1.670 5.647 257 HE2 LYS 32 1HE LYS 32 4.123 -0.983 7.980 258 HE3 LYS 32 2HE LYS 32 5.591 -0.893 7.020 259 HZ1 LYS 32 3HZ LYS 32 5.222 1.507 6.796 260 HZ2 LYS 32 1HZ LYS 32 5.384 1.040 8.413 261 HZ3 LYS 32 2HZ LYS 32 3.855 1.390 7.784 262 H CYS 33 H CYS 33 2.975 -2.607 2.122 263 HA CYS 33 HA CYS 33 2.003 -2.313 -0.571 264 HB2 CYS 33 1HB CYS 33 1.499 -4.452 1.499 265 HB3 CYS 33 2HB CYS 33 1.090 -4.556 -0.204 266 HG CYS 33 HG CYS 33 3.513 -4.979 -1.161 267 H CYS 34 H CYS 34 0.222 -1.221 -1.034 268 HA CYS 34 HA CYS 34 -1.940 -1.137 0.946 269 HB2 CYS 34 1HB CYS 34 -1.437 0.536 -1.522 270 HB3 CYS 34 2HB CYS 34 -2.875 0.666 -0.517 271 HG CYS 34 HG CYS 34 0.176 1.054 0.918 272 H ARG 35 H ARG 35 -3.719 -2.296 0.647 273 HA ARG 35 HA ARG 35 -4.153 -3.526 -1.982 274 HB2 ARG 35 1HB ARG 35 -5.483 -4.174 0.661 275 HB3 ARG 35 2HB ARG 35 -5.691 -5.058 -0.845 276 HG2 ARG 35 1HG ARG 35 -3.369 -5.720 -0.818 277 HG3 ARG 35 2HG ARG 35 -3.088 -4.763 0.631 278 HD2 ARG 35 1HD ARG 35 -4.493 -7.368 0.325 279 HD3 ARG 35 2HD ARG 35 -3.315 -6.874 1.509 280 HE ARG 35 HE ARG 35 -5.283 -5.402 2.335 281 HH11 ARG 35 1HH1 ARG 35 -5.549 -8.625 0.997 282 HH12 ARG 35 2HH1 ARG 35 -6.892 -9.067 1.998 283 HH21 ARG 35 1HH2 ARG 35 -7.049 -5.990 3.659 284 HH22 ARG 35 2HH2 ARG 35 -7.747 -7.576 3.500 285 H THR 36 H THR 36 -5.633 -2.750 -3.265 286 HA THR 36 HA THR 36 -7.255 -0.515 -2.468 287 HB THR 36 HB THR 36 -7.382 -1.956 -5.113 288 HG1 THR 36 HG1 THR 36 -5.418 -0.134 -4.122 289 HG21 THR 36 1HG2 THR 36 -9.063 -0.228 -4.746 290 HG22 THR 36 2HG2 THR 36 -7.902 0.295 -5.964 291 HG23 THR 36 3HG2 THR 36 -7.805 0.930 -4.320 292 H ILE 37 H ILE 37 -8.756 -1.211 -1.038 293 HA ILE 37 HA ILE 37 -10.159 -3.645 -1.266 294 HB ILE 37 HB ILE 37 -10.816 -1.194 0.357 295 HG12 ILE 37 1HG1 ILE 37 -8.593 -1.872 0.888 296 HG13 ILE 37 2HG1 ILE 37 -9.616 -2.482 2.173 297 HG21 ILE 37 1HG2 ILE 37 -11.950 -2.842 1.851 298 HG22 ILE 37 2HG2 ILE 37 -11.745 -4.044 0.575 299 HG23 ILE 37 3HG2 ILE 37 -12.723 -2.609 0.284 300 HD11 ILE 37 3HD1 ILE 37 -8.029 -4.166 1.628 301 HD12 ILE 37 1HD1 ILE 37 -8.403 -4.040 -0.091 302 HD13 ILE 37 2HD1 ILE 37 -9.595 -4.701 1.022 303 H GLN 38 H GLN 38 -11.808 -4.151 -2.479 304 HA GLN 38 HA GLN 38 -13.239 -2.140 -3.991 305 HB2 GLN 38 1HB GLN 38 -13.537 -5.149 -3.947 306 HB3 GLN 38 2HB GLN 38 -14.295 -4.060 -5.099 307 HG2 GLN 38 1HG GLN 38 -12.113 -3.421 -5.954 308 HG3 GLN 38 2HG GLN 38 -11.334 -4.480 -4.778 309 HE21 GLN 38 1HE2 GLN 38 -13.199 -4.317 -7.700 310 HE22 GLN 38 2HE2 GLN 38 -12.978 -5.968 -8.170 311 HA PRO 39 HA PRO 39 -16.645 -1.907 -1.114 312 HB2 PRO 39 1HB PRO 39 -18.267 -1.157 -3.452 313 HB3 PRO 39 2HB PRO 39 -17.926 -0.237 -1.987 314 HG2 PRO 39 1HG PRO 39 -16.849 0.407 -4.371 315 HG3 PRO 39 2HG PRO 39 -15.994 0.664 -2.842 316 HD2 PRO 39 1HD PRO 39 -15.615 -1.467 -4.894 317 HD3 PRO 39 2HD PRO 39 -14.411 -0.631 -3.892 318 H SER 40 H SER 40 -17.702 -3.638 -0.434 319 HA SER 40 HA SER 40 -19.053 -5.458 -0.343 320 HB2 SER 40 1HB SER 40 -20.556 -4.219 -1.884 321 HB3 SER 40 2HB SER 40 -19.672 -4.911 -3.244 322 HG SER 40 HG SER 40 -20.267 -7.010 -2.271 323 H GLY 41 H GLY 41 -16.312 -5.192 -2.009 324 HA2 GLY 41 1HA GLY 41 -16.138 -7.640 -3.435 325 HA3 GLY 41 2HA GLY 41 -14.781 -6.666 -2.889 326 H SER 42 H SER 42 -15.050 -9.561 -2.886 327 HA SER 42 HA SER 42 -15.549 -10.384 -0.182 328 HB2 SER 42 1HB SER 42 -14.261 -11.892 -2.467 329 HB3 SER 42 2HB SER 42 -14.861 -12.597 -0.966 330 HG SER 42 HG SER 42 -16.784 -11.097 -2.104 331 H ILE 43 H ILE 43 -13.830 -11.781 0.922 332 HA ILE 43 HA ILE 43 -11.740 -12.201 1.731 333 HB ILE 43 HB ILE 43 -10.727 -10.334 -0.426 334 HG12 ILE 43 1HG1 ILE 43 -10.792 -13.361 -0.344 335 HG13 ILE 43 2HG1 ILE 43 -11.881 -12.351 -1.290 336 HG21 ILE 43 1HG2 ILE 43 -9.129 -10.527 1.397 337 HG22 ILE 43 2HG2 ILE 43 -8.539 -11.365 -0.037 338 HG23 ILE 43 3HG2 ILE 43 -9.216 -12.285 1.306 339 HD11 ILE 43 3HD1 ILE 43 -9.976 -11.512 -2.572 340 HD12 ILE 43 1HD1 ILE 43 -10.119 -13.265 -2.675 341 HD13 ILE 43 2HD1 ILE 43 -8.896 -12.542 -1.631 342 H ILE 44 H ILE 44 -13.186 -9.140 1.582 343 HA ILE 44 HA ILE 44 -11.567 -8.210 3.813 344 HB ILE 44 HB ILE 44 -10.328 -7.221 2.092 345 HG12 ILE 44 1HG1 ILE 44 -11.052 -4.734 2.215 346 HG13 ILE 44 2HG1 ILE 44 -12.302 -5.311 3.305 347 HG21 ILE 44 1HG2 ILE 44 -11.258 -6.001 0.212 348 HG22 ILE 44 2HG2 ILE 44 -12.892 -6.301 0.805 349 HG23 ILE 44 3HG2 ILE 44 -11.890 -7.649 0.262 350 HD11 ILE 44 3HD1 ILE 44 -10.170 -4.414 4.320 351 HD12 ILE 44 1HD1 ILE 44 -9.402 -5.896 3.755 352 HD13 ILE 44 2HD1 ILE 44 -10.739 -5.981 4.906 353 H ASP 45 H ASP 45 -14.259 -7.334 1.673 354 HA ASP 45 HA ASP 45 -15.366 -5.526 3.604 355 HB2 ASP 45 1HB ASP 45 -15.608 -5.204 1.146 356 HB3 ASP 45 2HB ASP 45 -16.650 -6.622 1.093 Start of MODEL 3 1 H PHE 1 1H PHE 1 10.702 -11.300 -2.113 2 HA PHE 1 HA PHE 1 8.886 -11.845 -4.378 3 HB2 PHE 1 1HB PHE 1 10.205 -13.718 -2.401 4 HB3 PHE 1 2HB PHE 1 9.058 -14.190 -3.648 5 HD1 PHE 1 HD1 PHE 1 9.740 -13.479 -6.092 6 HD2 PHE 1 HD2 PHE 1 12.449 -13.906 -2.839 7 HE1 PHE 1 HE1 PHE 1 11.594 -13.783 -7.680 8 HE2 PHE 1 HE2 PHE 1 14.307 -14.210 -4.422 9 HZ PHE 1 HZ PHE 1 13.882 -14.146 -6.846 10 H PHE 2 H PHE 2 9.258 -11.333 -0.940 11 HA PHE 2 HA PHE 2 6.905 -12.506 -0.010 12 HB2 PHE 2 1HB PHE 2 8.310 -10.033 1.012 13 HB3 PHE 2 2HB PHE 2 7.057 -10.908 1.882 14 HD1 PHE 2 HD1 PHE 2 7.637 -13.601 1.887 15 HD2 PHE 2 HD2 PHE 2 10.417 -10.384 1.805 16 HE1 PHE 2 HE1 PHE 2 9.340 -15.053 2.903 17 HE2 PHE 2 HE2 PHE 2 12.129 -11.834 2.817 18 HZ PHE 2 HZ PHE 2 11.591 -14.171 3.368 19 H ASP 3 H ASP 3 7.423 -9.048 -0.784 20 HA ASP 3 HA ASP 3 4.574 -8.653 -0.745 21 HB2 ASP 3 1HB ASP 3 5.054 -6.306 -1.230 22 HB3 ASP 3 2HB ASP 3 5.910 -6.896 0.186 23 H GLU 4 H GLU 4 6.648 -9.770 -2.993 24 HA GLU 4 HA GLU 4 5.434 -8.752 -5.353 25 HB2 GLU 4 1HB GLU 4 7.595 -9.928 -5.390 26 HB3 GLU 4 2HB GLU 4 6.808 -11.401 -4.842 27 HG2 GLU 4 1HG GLU 4 5.549 -11.529 -6.898 28 HG3 GLU 4 2HG GLU 4 6.246 -10.002 -7.441 29 H LYS 5 H LYS 5 4.912 -11.538 -3.257 30 HA LYS 5 HA LYS 5 2.540 -12.389 -4.577 31 HB2 LYS 5 1HB LYS 5 3.979 -13.848 -3.131 32 HB3 LYS 5 2HB LYS 5 3.383 -12.963 -1.737 33 HG2 LYS 5 1HG LYS 5 2.203 -15.069 -2.020 34 HG3 LYS 5 2HG LYS 5 1.112 -13.697 -2.220 35 HD2 LYS 5 1HD LYS 5 0.640 -15.344 -3.919 36 HD3 LYS 5 2HD LYS 5 1.349 -13.919 -4.676 37 HE2 LYS 5 1HE LYS 5 2.320 -15.894 -5.649 38 HE3 LYS 5 2HE LYS 5 3.543 -15.068 -4.688 39 HZ1 LYS 5 3HZ LYS 5 3.228 -16.651 -2.929 40 HZ2 LYS 5 1HZ LYS 5 3.533 -17.487 -4.365 41 HZ3 LYS 5 2HZ LYS 5 1.959 -17.400 -3.756 42 H CYS 6 H CYS 6 3.301 -10.071 -2.049 43 HA CYS 6 HA CYS 6 0.665 -9.631 -1.145 44 HB2 CYS 6 1HB CYS 6 2.866 -8.694 -0.155 45 HB3 CYS 6 2HB CYS 6 2.728 -7.436 -1.376 46 HG CYS 6 HG CYS 6 1.860 -6.475 1.107 47 H ASN 7 H ASN 7 2.546 -8.257 -3.804 48 HA ASN 7 HA ASN 7 0.637 -6.456 -4.768 49 HB2 ASN 7 1HB ASN 7 2.997 -6.478 -5.478 50 HB3 ASN 7 2HB ASN 7 2.692 -7.973 -6.340 51 HD21 ASN 7 1HD2 ASN 7 1.693 -7.924 -8.314 52 HD22 ASN 7 2HD2 ASN 7 1.293 -6.455 -9.137 53 H LYS 8 H LYS 8 1.040 -9.907 -5.263 54 HA LYS 8 HA LYS 8 -1.000 -10.191 -7.214 55 HB2 LYS 8 1HB LYS 8 0.713 -11.920 -6.773 56 HB3 LYS 8 2HB LYS 8 -0.012 -12.221 -5.201 57 HG2 LYS 8 1HG LYS 8 -0.674 -13.906 -6.830 58 HG3 LYS 8 2HG LYS 8 -2.062 -12.973 -6.267 59 HD2 LYS 8 1HD LYS 8 -2.006 -11.628 -8.295 60 HD3 LYS 8 2HD LYS 8 -0.571 -12.492 -8.849 61 HE2 LYS 8 1HE LYS 8 -3.256 -13.762 -8.327 62 HE3 LYS 8 2HE LYS 8 -2.666 -13.275 -9.914 63 HZ1 LYS 8 3HZ LYS 8 -1.423 -15.305 -8.140 64 HZ2 LYS 8 1HZ LYS 8 -0.816 -14.820 -9.642 65 HZ3 LYS 8 2HZ LYS 8 -2.300 -15.619 -9.549 66 H LEU 9 H LEU 9 -0.983 -10.294 -3.677 67 HA LEU 9 HA LEU 9 -3.846 -10.643 -3.514 68 HB2 LEU 9 1HB LEU 9 -1.652 -10.221 -1.527 69 HB3 LEU 9 2HB LEU 9 -3.303 -9.903 -1.042 70 HG LEU 9 HG LEU 9 -2.631 -12.133 -0.357 71 HD11 LEU 9 1HD1 LEU 9 -4.597 -12.268 -2.636 72 HD12 LEU 9 2HD1 LEU 9 -4.968 -11.749 -0.992 73 HD13 LEU 9 3HD1 LEU 9 -4.456 -13.408 -1.299 74 HD21 LEU 9 3HD2 LEU 9 -2.189 -12.697 -3.287 75 HD22 LEU 9 1HD2 LEU 9 -2.100 -13.875 -1.976 76 HD23 LEU 9 2HD2 LEU 9 -0.931 -12.558 -2.059 77 H LYS 10 H LYS 10 -2.160 -8.255 -4.660 78 HA LYS 10 HA LYS 10 -2.870 -6.266 -5.461 79 HB2 LYS 10 1HB LYS 10 -5.336 -6.650 -3.759 80 HB3 LYS 10 2HB LYS 10 -5.131 -5.452 -5.032 81 HG2 LYS 10 1HG LYS 10 -5.113 -8.439 -5.407 82 HG3 LYS 10 2HG LYS 10 -6.454 -7.359 -5.793 83 HD2 LYS 10 1HD LYS 10 -5.122 -6.249 -7.472 84 HD3 LYS 10 2HD LYS 10 -3.702 -7.193 -7.025 85 HE2 LYS 10 1HE LYS 10 -4.742 -8.059 -9.055 86 HE3 LYS 10 2HE LYS 10 -4.823 -9.233 -7.742 87 HZ1 LYS 10 3HZ LYS 10 -7.042 -7.433 -8.539 88 HZ2 LYS 10 1HZ LYS 10 -7.111 -8.651 -7.366 89 HZ3 LYS 10 2HZ LYS 10 -6.904 -9.054 -8.996 90 H GLY 11 H GLY 11 -1.353 -6.682 -2.978 91 HA2 GLY 11 1HA GLY 11 -1.844 -4.080 -1.697 92 HA3 GLY 11 2HA GLY 11 -0.807 -5.345 -1.070 93 H THR 12 H THR 12 -1.144 -2.863 -3.414 94 HA THR 12 HA THR 12 1.407 -3.160 -4.642 95 HB THR 12 HB THR 12 0.909 -0.782 -5.460 96 HG1 THR 12 HG1 THR 12 -0.938 -0.983 -3.567 97 HG21 THR 12 1HG2 THR 12 -0.773 -1.582 -7.051 98 HG22 THR 12 2HG2 THR 12 -1.087 -2.979 -6.022 99 HG23 THR 12 3HG2 THR 12 0.487 -2.790 -6.796 100 H CYS 13 H CYS 13 3.284 -1.946 -4.365 101 HA CYS 13 HA CYS 13 3.666 -0.998 -1.667 102 HB2 CYS 13 1HB CYS 13 5.763 -0.751 -3.796 103 HB3 CYS 13 2HB CYS 13 5.948 -1.046 -2.076 104 HG CYS 13 HG CYS 13 4.443 -3.639 -2.696 105 H LYS 14 H LYS 14 2.636 0.861 -1.360 106 HA LYS 14 HA LYS 14 3.802 3.176 -2.716 107 HB2 LYS 14 1HB LYS 14 1.630 4.340 -2.639 108 HB3 LYS 14 2HB LYS 14 1.612 2.942 -3.701 109 HG2 LYS 14 1HG LYS 14 0.457 1.646 -2.006 110 HG3 LYS 14 2HG LYS 14 0.507 3.026 -0.904 111 HD2 LYS 14 1HD LYS 14 -1.666 2.904 -1.957 112 HD3 LYS 14 2HD LYS 14 -0.798 4.336 -2.527 113 HE2 LYS 14 1HE LYS 14 -0.205 3.184 -4.583 114 HE3 LYS 14 2HE LYS 14 -0.969 1.704 -4.005 115 HZ1 LYS 14 3HZ LYS 14 -3.091 2.962 -3.927 116 HZ2 LYS 14 1HZ LYS 14 -2.454 2.787 -5.490 117 HZ3 LYS 14 2HZ LYS 14 -2.305 4.262 -4.680 118 H ASN 15 H ASN 15 3.479 5.176 -1.364 119 HA ASN 15 HA ASN 15 4.419 4.491 1.274 120 HB2 ASN 15 1HB ASN 15 5.377 6.286 -0.229 121 HB3 ASN 15 2HB ASN 15 3.964 7.242 0.143 122 HD21 ASN 15 1HD2 ASN 15 5.211 8.839 1.120 123 HD22 ASN 15 2HD2 ASN 15 5.942 8.614 2.670 124 H ASN 16 H ASN 16 1.749 6.333 -0.122 125 HA ASN 16 HA ASN 16 0.405 6.189 2.506 126 HB2 ASN 16 1HB ASN 16 -0.701 8.259 2.054 127 HB3 ASN 16 2HB ASN 16 1.006 8.508 1.717 128 HD21 ASN 16 1HD2 ASN 16 1.688 8.670 -0.445 129 HD22 ASN 16 2HD2 ASN 16 0.577 9.098 -1.700 130 H CYS 17 H CYS 17 -1.715 5.541 2.578 131 HA CYS 17 HA CYS 17 -2.538 3.854 0.407 132 HB2 CYS 17 1HB CYS 17 -4.079 4.518 2.918 133 HB3 CYS 17 2HB CYS 17 -4.293 3.121 1.874 134 HG CYS 17 HG CYS 17 -1.493 2.354 2.499 135 H GLY 18 H GLY 18 -4.017 4.234 -1.098 136 HA2 GLY 18 1HA GLY 18 -5.234 6.888 -1.211 137 HA3 GLY 18 2HA GLY 18 -5.083 5.752 -2.544 138 H LYS 19 H LYS 19 -7.293 6.106 -3.020 139 HA LYS 19 HA LYS 19 -9.438 5.845 -1.305 140 HB2 LYS 19 1HB LYS 19 -10.813 5.713 -3.188 141 HB3 LYS 19 2HB LYS 19 -9.405 6.586 -3.760 142 HG2 LYS 19 1HG LYS 19 -10.038 3.681 -4.262 143 HG3 LYS 19 2HG LYS 19 -10.162 4.999 -5.420 144 HD2 LYS 19 1HD LYS 19 -7.681 5.347 -5.128 145 HD3 LYS 19 2HD LYS 19 -7.663 3.848 -4.193 146 HE2 LYS 19 1HE LYS 19 -7.028 3.416 -6.493 147 HE3 LYS 19 2HE LYS 19 -8.567 2.640 -6.118 148 HZ1 LYS 19 3HZ LYS 19 -9.708 4.467 -7.217 149 HZ2 LYS 19 1HZ LYS 19 -8.626 3.714 -8.275 150 HZ3 LYS 19 2HZ LYS 19 -8.231 5.205 -7.580 151 H ASN 20 H ASN 20 -10.335 4.249 -0.233 152 HA ASN 20 HA ASN 20 -10.833 2.181 0.567 153 HB2 ASN 20 1HB ASN 20 -10.556 1.523 -2.365 154 HB3 ASN 20 2HB ASN 20 -11.092 0.351 -1.170 155 HD21 ASN 20 1HD2 ASN 20 -13.077 0.084 -2.078 156 HD22 ASN 20 2HD2 ASN 20 -14.310 1.299 -2.020 157 H GLU 21 H GLU 21 -7.945 2.946 0.512 158 HA GLU 21 HA GLU 21 -6.828 0.237 0.248 159 HB2 GLU 21 1HB GLU 21 -5.526 2.928 -0.140 160 HB3 GLU 21 2HB GLU 21 -4.595 1.446 0.031 161 HG2 GLU 21 1HG GLU 21 -5.808 0.517 -1.916 162 HG3 GLU 21 2HG GLU 21 -6.618 2.069 -2.113 163 H GLU 22 H GLU 22 -5.605 -0.645 1.798 164 HA GLU 22 HA GLU 22 -5.350 0.847 4.328 165 HB2 GLU 22 1HB GLU 22 -5.734 -1.256 5.535 166 HB3 GLU 22 2HB GLU 22 -7.114 -0.841 4.525 167 HG2 GLU 22 1HG GLU 22 -6.516 -2.481 2.905 168 HG3 GLU 22 2HG GLU 22 -4.971 -2.775 3.694 169 H LEU 23 H LEU 23 -3.553 0.254 5.661 170 HA LEU 23 HA LEU 23 -1.230 -0.609 4.135 171 HB2 LEU 23 1HB LEU 23 -1.554 1.299 6.048 172 HB3 LEU 23 2HB LEU 23 -0.977 -0.040 7.018 173 HG LEU 23 HG LEU 23 1.096 -0.140 5.804 174 HD11 LEU 23 1HD1 LEU 23 -0.274 1.766 3.934 175 HD12 LEU 23 2HD1 LEU 23 0.448 0.192 3.575 176 HD13 LEU 23 3HD1 LEU 23 1.476 1.568 3.975 177 HD21 LEU 23 3HD2 LEU 23 2.001 2.078 6.222 178 HD22 LEU 23 1HD2 LEU 23 0.938 1.578 7.537 179 HD23 LEU 23 2HD2 LEU 23 0.370 2.735 6.336 180 H ILE 24 H ILE 24 -0.692 -2.694 4.082 181 HA ILE 24 HA ILE 24 -1.768 -4.406 6.226 182 HB ILE 24 HB ILE 24 -2.368 -6.047 4.708 183 HG12 ILE 24 1HG1 ILE 24 -1.401 -5.506 2.177 184 HG13 ILE 24 2HG1 ILE 24 -0.034 -5.116 3.214 185 HG21 ILE 24 1HG2 ILE 24 -3.691 -4.024 4.384 186 HG22 ILE 24 2HG2 ILE 24 -3.560 -4.962 2.899 187 HG23 ILE 24 3HG2 ILE 24 -2.584 -3.510 3.108 188 HD11 ILE 24 3HD1 ILE 24 0.070 -7.416 2.454 189 HD12 ILE 24 1HD1 ILE 24 -1.515 -7.734 3.162 190 HD13 ILE 24 2HD1 ILE 24 -0.146 -7.344 4.202 191 H ALA 25 H ALA 25 1.090 -3.452 4.568 192 HA ALA 25 HA ALA 25 2.733 -5.024 6.305 193 HB1 ALA 25 3HB ALA 25 3.818 -6.418 4.638 194 HB2 ALA 25 1HB ALA 25 2.737 -5.800 3.389 195 HB3 ALA 25 2HB ALA 25 2.093 -6.778 4.708 196 H LEU 26 H LEU 26 5.023 -4.782 5.796 197 HA LEU 26 HA LEU 26 5.524 -2.080 4.786 198 HB2 LEU 26 1HB LEU 26 6.932 -3.877 6.736 199 HB3 LEU 26 2HB LEU 26 7.755 -2.497 6.036 200 HG LEU 26 HG LEU 26 6.978 -1.881 8.204 201 HD11 LEU 26 1HD1 LEU 26 6.761 -0.191 6.433 202 HD12 LEU 26 2HD1 LEU 26 5.592 0.022 7.734 203 HD13 LEU 26 3HD1 LEU 26 5.083 -0.682 6.201 204 HD21 LEU 26 3HD2 LEU 26 4.612 -1.971 8.848 205 HD22 LEU 26 1HD2 LEU 26 5.284 -3.573 8.541 206 HD23 LEU 26 2HD2 LEU 26 4.246 -2.807 7.340 207 H CYS 27 H CYS 27 6.962 -1.723 3.162 208 HA CYS 27 HA CYS 27 8.208 -4.093 1.938 209 HB2 CYS 27 1HB CYS 27 7.275 -1.496 0.696 210 HB3 CYS 27 2HB CYS 27 8.233 -2.692 -0.165 211 HG CYS 27 HG CYS 27 6.294 -4.243 -0.844 212 H GLN 28 H GLN 28 10.207 -3.357 0.585 213 HA GLN 28 HA GLN 28 11.938 -1.797 2.300 214 HB2 GLN 28 1HB GLN 28 12.500 -3.129 -0.344 215 HB3 GLN 28 2HB GLN 28 13.701 -2.347 0.666 216 HG2 GLN 28 1HG GLN 28 13.198 -3.965 2.459 217 HG3 GLN 28 2HG GLN 28 12.089 -4.788 1.365 218 HE21 GLN 28 1HE2 GLN 28 15.415 -4.064 2.070 219 HE22 GLN 28 2HE2 GLN 28 16.102 -5.266 1.035 220 H LYS 29 H LYS 29 13.447 -0.228 1.017 221 HA LYS 29 HA LYS 29 13.687 1.771 0.009 222 HB2 LYS 29 1HB LYS 29 12.656 0.221 -1.894 223 HB3 LYS 29 2HB LYS 29 11.325 1.355 -1.736 224 HG2 LYS 29 1HG LYS 29 13.724 2.829 -1.830 225 HG3 LYS 29 2HG LYS 29 13.758 1.663 -3.148 226 HD2 LYS 29 1HD LYS 29 11.614 3.713 -2.584 227 HD3 LYS 29 2HD LYS 29 12.756 3.714 -3.930 228 HE2 LYS 29 1HE LYS 29 11.762 1.544 -4.669 229 HE3 LYS 29 2HE LYS 29 10.539 1.741 -3.411 230 HZ1 LYS 29 3HZ LYS 29 9.896 3.847 -4.476 231 HZ2 LYS 29 1HZ LYS 29 9.693 2.522 -5.506 232 HZ3 LYS 29 2HZ LYS 29 11.009 3.557 -5.712 233 H SER 30 H SER 30 11.478 1.077 2.063 234 HA SER 30 HA SER 30 10.314 2.344 3.543 235 HB2 SER 30 1HB SER 30 10.744 4.690 1.687 236 HB3 SER 30 2HB SER 30 10.200 4.759 3.362 237 HG SER 30 HG SER 30 12.428 3.378 3.389 238 H LEU 31 H LEU 31 9.322 1.365 0.646 239 HA LEU 31 HA LEU 31 6.748 2.654 0.609 240 HB2 LEU 31 1HB LEU 31 8.054 0.460 -0.981 241 HB3 LEU 31 2HB LEU 31 6.335 0.758 -1.114 242 HG LEU 31 HG LEU 31 7.739 1.819 -2.873 243 HD11 LEU 31 1HD1 LEU 31 6.560 3.945 -2.852 244 HD12 LEU 31 2HD1 LEU 31 6.176 3.728 -1.144 245 HD13 LEU 31 3HD1 LEU 31 5.504 2.630 -2.349 246 HD21 LEU 31 3HD2 LEU 31 8.961 3.852 -2.371 247 HD22 LEU 31 1HD2 LEU 31 9.651 2.469 -1.523 248 HD23 LEU 31 2HD2 LEU 31 8.643 3.624 -0.651 249 H LYS 32 H LYS 32 4.733 1.236 0.622 250 HA LYS 32 HA LYS 32 4.952 -0.974 2.556 251 HB2 LYS 32 1HB LYS 32 2.986 1.315 2.655 252 HB3 LYS 32 2HB LYS 32 2.792 -0.168 3.569 253 HG2 LYS 32 1HG LYS 32 3.684 1.226 5.134 254 HG3 LYS 32 2HG LYS 32 5.138 0.433 4.513 255 HD2 LYS 32 1HD LYS 32 5.543 2.339 3.025 256 HD3 LYS 32 2HD LYS 32 4.101 3.137 3.656 257 HE2 LYS 32 1HE LYS 32 5.097 3.187 5.881 258 HE3 LYS 32 2HE LYS 32 6.529 2.362 5.267 259 HZ1 LYS 32 3HZ LYS 32 6.867 4.749 5.445 260 HZ2 LYS 32 1HZ LYS 32 5.578 5.036 4.387 261 HZ3 LYS 32 2HZ LYS 32 6.970 4.245 3.836 262 H CYS 33 H CYS 33 2.986 -2.361 2.570 263 HA CYS 33 HA CYS 33 1.966 -2.689 -0.129 264 HB2 CYS 33 1HB CYS 33 1.479 -4.343 2.349 265 HB3 CYS 33 2HB CYS 33 1.064 -4.789 0.703 266 HG CYS 33 HG CYS 33 4.259 -4.127 0.776 267 H CYS 34 H CYS 34 0.369 -1.271 -0.563 268 HA CYS 34 HA CYS 34 -1.852 -1.074 1.357 269 HB2 CYS 34 1HB CYS 34 -1.172 0.682 -1.013 270 HB3 CYS 34 2HB CYS 34 -2.570 0.898 0.032 271 HG CYS 34 HG CYS 34 0.719 1.358 0.837 272 H ARG 35 H ARG 35 -3.532 -2.327 0.966 273 HA ARG 35 HA ARG 35 -3.903 -3.457 -1.700 274 HB2 ARG 35 1HB ARG 35 -5.351 -4.085 0.881 275 HB3 ARG 35 2HB ARG 35 -5.527 -4.959 -0.632 276 HG2 ARG 35 1HG ARG 35 -3.237 -5.713 -0.508 277 HG3 ARG 35 2HG ARG 35 -2.976 -4.758 0.952 278 HD2 ARG 35 1HD ARG 35 -3.365 -6.894 1.792 279 HD3 ARG 35 2HD ARG 35 -4.941 -6.115 1.922 280 HE ARG 35 HE ARG 35 -4.790 -7.430 -0.556 281 HH11 ARG 35 1HH1 ARG 35 -4.961 -8.165 2.868 282 HH12 ARG 35 2HH1 ARG 35 -5.755 -9.691 2.629 283 HH21 ARG 35 1HH2 ARG 35 -5.851 -9.440 -0.867 284 HH22 ARG 35 2HH2 ARG 35 -6.260 -10.413 0.514 285 H THR 36 H THR 36 -5.391 -2.739 -3.069 286 HA THR 36 HA THR 36 -7.232 -0.664 -2.263 287 HB THR 36 HB THR 36 -7.242 -2.027 -4.952 288 HG1 THR 36 HG1 THR 36 -5.312 -0.350 -3.813 289 HG21 THR 36 1HG2 THR 36 -8.032 0.122 -5.740 290 HG22 THR 36 2HG2 THR 36 -7.800 0.838 -4.144 291 HG23 THR 36 3HG2 THR 36 -9.041 -0.396 -4.388 292 H ILE 37 H ILE 37 -8.867 -1.282 -1.087 293 HA ILE 37 HA ILE 37 -9.998 -3.889 -1.106 294 HB ILE 37 HB ILE 37 -11.045 -1.350 0.148 295 HG12 ILE 37 1HG1 ILE 37 -8.741 -1.756 0.802 296 HG13 ILE 37 2HG1 ILE 37 -9.798 -2.113 2.152 297 HG21 ILE 37 1HG2 ILE 37 -12.709 -3.120 0.082 298 HG22 ILE 37 2HG2 ILE 37 -12.148 -2.859 1.734 299 HG23 ILE 37 3HG2 ILE 37 -11.564 -4.243 0.812 300 HD11 ILE 37 3HD1 ILE 37 -8.004 -3.751 1.923 301 HD12 ILE 37 1HD1 ILE 37 -8.574 -4.144 0.301 302 HD13 ILE 37 2HD1 ILE 37 -9.586 -4.492 1.701 303 H GLN 38 H GLN 38 -11.171 -4.590 -2.721 304 HA GLN 38 HA GLN 38 -13.013 -2.754 -4.090 305 HB2 GLN 38 1HB GLN 38 -11.902 -5.412 -5.008 306 HB3 GLN 38 2HB GLN 38 -12.941 -4.350 -5.950 307 HG2 GLN 38 1HG GLN 38 -11.221 -2.649 -5.987 308 HG3 GLN 38 2HG GLN 38 -10.187 -3.644 -4.962 309 HE21 GLN 38 1HE2 GLN 38 -9.695 -2.587 -7.627 310 HE22 GLN 38 2HE2 GLN 38 -9.367 -3.958 -8.630 311 HA PRO 39 HA PRO 39 -16.506 -4.779 -2.182 312 HB2 PRO 39 1HB PRO 39 -17.777 -4.071 -4.782 313 HB3 PRO 39 2HB PRO 39 -18.328 -3.745 -3.135 314 HG2 PRO 39 1HG PRO 39 -17.279 -1.804 -4.620 315 HG3 PRO 39 2HG PRO 39 -16.925 -1.914 -2.886 316 HD2 PRO 39 1HD PRO 39 -15.212 -2.637 -5.222 317 HD3 PRO 39 2HD PRO 39 -14.755 -1.927 -3.660 318 H SER 40 H SER 40 -16.635 -6.921 -2.109 319 HA SER 40 HA SER 40 -17.484 -8.527 -4.264 320 HB2 SER 40 1HB SER 40 -15.378 -9.903 -4.435 321 HB3 SER 40 2HB SER 40 -15.251 -8.291 -5.133 322 HG SER 40 HG SER 40 -14.176 -7.622 -3.246 323 H GLY 41 H GLY 41 -17.274 -10.930 -3.627 324 HA2 GLY 41 1HA GLY 41 -18.011 -11.167 -0.832 325 HA3 GLY 41 2HA GLY 41 -18.099 -12.433 -2.049 326 H SER 42 H SER 42 -16.868 -12.100 0.748 327 HA SER 42 HA SER 42 -15.127 -12.956 1.909 328 HB2 SER 42 1HB SER 42 -14.234 -14.103 -0.746 329 HB3 SER 42 2HB SER 42 -13.583 -14.544 0.832 330 HG SER 42 HG SER 42 -16.326 -14.710 0.639 331 H ILE 43 H ILE 43 -12.509 -13.062 1.678 332 HA ILE 43 HA ILE 43 -10.558 -11.908 1.555 333 HB ILE 43 HB ILE 43 -11.961 -10.093 -0.417 334 HG12 ILE 43 1HG1 ILE 43 -11.781 -12.413 -1.217 335 HG13 ILE 43 2HG1 ILE 43 -10.737 -11.338 -2.139 336 HG21 ILE 43 1HG2 ILE 43 -9.718 -9.345 -1.042 337 HG22 ILE 43 2HG2 ILE 43 -9.025 -10.352 0.228 338 HG23 ILE 43 3HG2 ILE 43 -10.065 -8.992 0.650 339 HD11 ILE 43 3HD1 ILE 43 -8.814 -12.106 -0.836 340 HD12 ILE 43 1HD1 ILE 43 -9.626 -13.431 -1.668 341 HD13 ILE 43 2HD1 ILE 43 -9.869 -13.198 0.062 342 H ILE 44 H ILE 44 -13.176 -9.484 1.333 343 HA ILE 44 HA ILE 44 -12.875 -8.634 4.017 344 HB ILE 44 HB ILE 44 -10.789 -7.652 3.183 345 HG12 ILE 44 1HG1 ILE 44 -12.929 -5.579 3.721 346 HG13 ILE 44 2HG1 ILE 44 -12.069 -6.500 4.947 347 HG21 ILE 44 1HG2 ILE 44 -12.516 -6.070 1.282 348 HG22 ILE 44 2HG2 ILE 44 -11.482 -7.422 0.827 349 HG23 ILE 44 3HG2 ILE 44 -10.767 -5.944 1.466 350 HD11 ILE 44 3HD1 ILE 44 -11.141 -4.311 4.828 351 HD12 ILE 44 1HD1 ILE 44 -10.921 -4.447 3.084 352 HD13 ILE 44 2HD1 ILE 44 -9.967 -5.450 4.175 353 H ASP 45 H ASP 45 -14.467 -7.154 4.618 354 HA ASP 45 HA ASP 45 -16.430 -6.519 2.527 355 HB2 ASP 45 1HB ASP 45 -18.105 -6.418 4.365 356 HB3 ASP 45 2HB ASP 45 -17.378 -8.007 4.184 Start of MODEL 4 1 H PHE 1 1H PHE 1 9.788 -10.850 0.248 2 HA PHE 1 HA PHE 1 7.859 -13.087 0.299 3 HB2 PHE 1 1HB PHE 1 9.380 -11.764 2.557 4 HB3 PHE 1 2HB PHE 1 8.065 -12.915 2.772 5 HD1 PHE 1 HD1 PHE 1 8.387 -15.217 1.578 6 HD2 PHE 1 HD2 PHE 1 11.551 -12.533 2.523 7 HE1 PHE 1 HE1 PHE 1 9.992 -17.078 1.477 8 HE2 PHE 1 HE2 PHE 1 13.161 -14.389 2.421 9 HZ PHE 1 HZ PHE 1 12.383 -16.665 1.898 10 H PHE 2 H PHE 2 8.592 -9.727 1.220 11 HA PHE 2 HA PHE 2 6.108 -9.100 2.335 12 HB2 PHE 2 1HB PHE 2 7.967 -7.231 0.858 13 HB3 PHE 2 2HB PHE 2 6.708 -6.758 1.989 14 HD1 PHE 2 HD1 PHE 2 6.934 -7.998 4.361 15 HD2 PHE 2 HD2 PHE 2 10.111 -7.237 1.635 16 HE1 PHE 2 HE1 PHE 2 8.549 -8.128 6.213 17 HE2 PHE 2 HE2 PHE 2 11.731 -7.368 3.480 18 HZ PHE 2 HZ PHE 2 10.951 -7.816 5.772 19 H ASP 3 H ASP 3 7.291 -8.568 -0.989 20 HA ASP 3 HA ASP 3 4.649 -7.689 -1.749 21 HB2 ASP 3 1HB ASP 3 5.571 -7.253 -3.954 22 HB3 ASP 3 2HB ASP 3 6.518 -6.476 -2.694 23 H GLU 4 H GLU 4 6.065 -10.614 -1.414 24 HA GLU 4 HA GLU 4 4.771 -12.033 -3.514 25 HB2 GLU 4 1HB GLU 4 6.526 -13.108 -2.193 26 HB3 GLU 4 2HB GLU 4 5.572 -12.923 -0.728 27 HG2 GLU 4 1HG GLU 4 3.837 -14.381 -1.782 28 HG3 GLU 4 2HG GLU 4 4.980 -14.682 -3.090 29 H LYS 5 H LYS 5 3.957 -11.113 -0.217 30 HA LYS 5 HA LYS 5 1.273 -12.020 -0.286 31 HB2 LYS 5 1HB LYS 5 2.613 -11.416 1.778 32 HB3 LYS 5 2HB LYS 5 2.376 -9.731 1.345 33 HG2 LYS 5 1HG LYS 5 0.781 -10.371 3.029 34 HG3 LYS 5 2HG LYS 5 -0.062 -10.057 1.510 35 HD2 LYS 5 1HD LYS 5 -0.150 -12.458 1.061 36 HD3 LYS 5 2HD LYS 5 0.708 -12.775 2.569 37 HE2 LYS 5 1HE LYS 5 -1.137 -11.788 3.828 38 HE3 LYS 5 2HE LYS 5 -1.990 -11.448 2.324 39 HZ1 LYS 5 3HZ LYS 5 -1.277 -14.143 3.339 40 HZ2 LYS 5 1HZ LYS 5 -2.082 -13.827 1.887 41 HZ3 LYS 5 2HZ LYS 5 -2.817 -13.455 3.362 42 H CYS 6 H CYS 6 2.901 -9.024 -1.194 43 HA CYS 6 HA CYS 6 0.661 -7.418 -1.675 44 HB2 CYS 6 1HB CYS 6 3.084 -6.677 -1.680 45 HB3 CYS 6 2HB CYS 6 3.246 -7.420 -3.260 46 HG CYS 6 HG CYS 6 2.592 -5.319 -4.548 47 H ASN 7 H ASN 7 2.334 -9.753 -3.708 48 HA ASN 7 HA ASN 7 0.962 -9.341 -6.115 49 HB2 ASN 7 1HB ASN 7 3.035 -10.689 -5.851 50 HB3 ASN 7 2HB ASN 7 2.098 -11.931 -5.036 51 HD21 ASN 7 1HD2 ASN 7 2.590 -13.478 -6.563 52 HD22 ASN 7 2HD2 ASN 7 1.904 -13.465 -8.150 53 H LYS 8 H LYS 8 0.352 -11.556 -3.441 54 HA LYS 8 HA LYS 8 -1.847 -12.930 -4.401 55 HB2 LYS 8 1HB LYS 8 -0.742 -13.547 -2.342 56 HB3 LYS 8 2HB LYS 8 -1.226 -12.040 -1.583 57 HG2 LYS 8 1HG LYS 8 -2.607 -13.823 -0.771 58 HG3 LYS 8 2HG LYS 8 -3.581 -12.740 -1.764 59 HD2 LYS 8 1HD LYS 8 -3.453 -14.280 -3.629 60 HD3 LYS 8 2HD LYS 8 -2.379 -15.339 -2.714 61 HE2 LYS 8 1HE LYS 8 -5.230 -14.664 -1.997 62 HE3 LYS 8 2HE LYS 8 -4.682 -16.175 -2.719 63 HZ1 LYS 8 3HZ LYS 8 -3.920 -15.137 -0.041 64 HZ2 LYS 8 1HZ LYS 8 -3.329 -16.561 -0.738 65 HZ3 LYS 8 2HZ LYS 8 -4.966 -16.426 -0.355 66 H LEU 9 H LEU 9 -1.792 -9.807 -2.716 67 HA LEU 9 HA LEU 9 -4.678 -9.587 -2.874 68 HB2 LEU 9 1HB LEU 9 -2.539 -7.814 -1.718 69 HB3 LEU 9 2HB LEU 9 -4.212 -7.306 -1.824 70 HG LEU 9 HG LEU 9 -3.840 -8.060 0.395 71 HD11 LEU 9 1HD1 LEU 9 -5.428 -9.861 0.631 72 HD12 LEU 9 2HD1 LEU 9 -5.253 -10.273 -1.073 73 HD13 LEU 9 3HD1 LEU 9 -5.969 -8.730 -0.610 74 HD21 LEU 9 3HD2 LEU 9 -2.803 -10.652 -0.723 75 HD22 LEU 9 1HD2 LEU 9 -2.958 -10.223 0.980 76 HD23 LEU 9 2HD2 LEU 9 -1.805 -9.364 -0.045 77 H LYS 10 H LYS 10 -2.142 -8.965 -4.907 78 HA LYS 10 HA LYS 10 -1.735 -7.667 -6.712 79 HB2 LYS 10 1HB LYS 10 -4.752 -7.519 -6.744 80 HB3 LYS 10 2HB LYS 10 -3.741 -6.849 -8.013 81 HG2 LYS 10 1HG LYS 10 -4.384 -8.907 -8.855 82 HG3 LYS 10 2HG LYS 10 -2.772 -9.221 -8.212 83 HD2 LYS 10 1HD LYS 10 -3.825 -10.084 -6.137 84 HD3 LYS 10 2HD LYS 10 -5.406 -9.870 -6.891 85 HE2 LYS 10 1HE LYS 10 -4.706 -11.404 -8.699 86 HE3 LYS 10 2HE LYS 10 -3.184 -11.667 -7.848 87 HZ1 LYS 10 3HZ LYS 10 -4.708 -13.432 -7.346 88 HZ2 LYS 10 1HZ LYS 10 -5.896 -12.335 -6.849 89 HZ3 LYS 10 2HZ LYS 10 -4.474 -12.505 -5.951 90 H GLY 11 H GLY 11 -1.264 -6.419 -4.407 91 HA2 GLY 11 1HA GLY 11 -2.551 -3.785 -4.538 92 HA3 GLY 11 2HA GLY 11 -1.568 -4.389 -3.211 93 H THR 12 H THR 12 -0.949 -1.958 -3.904 94 HA THR 12 HA THR 12 1.506 -2.259 -5.484 95 HB THR 12 HB THR 12 1.081 0.309 -5.913 96 HG1 THR 12 HG1 THR 12 -1.569 -0.283 -6.249 97 HG21 THR 12 1HG2 THR 12 -0.006 -0.274 -8.044 98 HG22 THR 12 2HG2 THR 12 -0.337 -1.888 -7.417 99 HG23 THR 12 3HG2 THR 12 1.327 -1.362 -7.662 100 H CYS 13 H CYS 13 3.317 -1.634 -4.499 101 HA CYS 13 HA CYS 13 3.210 -0.710 -1.789 102 HB2 CYS 13 1HB CYS 13 5.717 -0.764 -3.456 103 HB3 CYS 13 2HB CYS 13 5.534 -1.023 -1.729 104 HG CYS 13 HG CYS 13 5.860 -3.271 -3.975 105 H LYS 14 H LYS 14 2.658 1.309 -1.396 106 HA LYS 14 HA LYS 14 4.049 3.442 -2.843 107 HB2 LYS 14 1HB LYS 14 1.997 4.792 -2.863 108 HB3 LYS 14 2HB LYS 14 1.811 3.317 -3.797 109 HG2 LYS 14 1HG LYS 14 0.599 2.296 -1.929 110 HG3 LYS 14 2HG LYS 14 0.773 3.793 -1.012 111 HD2 LYS 14 1HD LYS 14 -1.392 3.850 -1.962 112 HD3 LYS 14 2HD LYS 14 -0.403 4.956 -2.916 113 HE2 LYS 14 1HE LYS 14 -1.745 3.668 -4.422 114 HE3 LYS 14 2HE LYS 14 -0.077 3.111 -4.570 115 HZ1 LYS 14 3HZ LYS 14 -2.259 1.786 -3.043 116 HZ2 LYS 14 1HZ LYS 14 -0.643 1.269 -3.069 117 HZ3 LYS 14 2HZ LYS 14 -1.557 1.237 -4.490 118 H ASN 15 H ASN 15 3.580 5.613 -1.530 119 HA ASN 15 HA ASN 15 4.597 5.004 1.095 120 HB2 ASN 15 1HB ASN 15 4.289 7.478 -0.541 121 HB3 ASN 15 2HB ASN 15 4.523 7.631 1.194 122 HD21 ASN 15 1HD2 ASN 15 6.264 8.429 -0.994 123 HD22 ASN 15 2HD2 ASN 15 7.758 7.592 -0.753 124 H ASN 16 H ASN 16 1.800 6.817 -0.168 125 HA ASN 16 HA ASN 16 0.455 6.280 2.402 126 HB2 ASN 16 1HB ASN 16 -0.872 8.334 2.014 127 HB3 ASN 16 2HB ASN 16 0.848 8.675 2.147 128 HD21 ASN 16 1HD2 ASN 16 2.019 9.139 0.233 129 HD22 ASN 16 2HD2 ASN 16 1.214 9.787 -1.154 130 H CYS 17 H CYS 17 -1.610 5.452 2.325 131 HA CYS 17 HA CYS 17 -2.069 3.794 0.069 132 HB2 CYS 17 1HB CYS 17 -3.937 4.317 2.387 133 HB3 CYS 17 2HB CYS 17 -3.932 2.915 1.328 134 HG CYS 17 HG CYS 17 -1.162 2.365 2.249 135 H GLY 18 H GLY 18 -3.644 3.835 -1.466 136 HA2 GLY 18 1HA GLY 18 -4.683 6.468 -2.097 137 HA3 GLY 18 2HA GLY 18 -4.757 5.037 -3.113 138 H LYS 19 H LYS 19 -6.958 5.646 -3.555 139 HA LYS 19 HA LYS 19 -8.886 5.968 -1.553 140 HB2 LYS 19 1HB LYS 19 -10.549 5.588 -3.360 141 HB3 LYS 19 2HB LYS 19 -9.336 6.790 -3.756 142 HG2 LYS 19 1HG LYS 19 -9.287 5.685 -5.711 143 HG3 LYS 19 2HG LYS 19 -8.191 4.613 -4.837 144 HD2 LYS 19 1HD LYS 19 -10.063 3.136 -4.292 145 HD3 LYS 19 2HD LYS 19 -11.169 4.215 -5.144 146 HE2 LYS 19 1HE LYS 19 -9.897 3.822 -7.219 147 HE3 LYS 19 2HE LYS 19 -8.867 2.690 -6.348 148 HZ1 LYS 19 3HZ LYS 19 -11.786 2.415 -6.810 149 HZ2 LYS 19 1HZ LYS 19 -10.856 1.352 -5.880 150 HZ3 LYS 19 2HZ LYS 19 -10.563 1.503 -7.537 151 H ASN 20 H ASN 20 -9.608 4.615 -0.152 152 HA ASN 20 HA ASN 20 -10.315 2.742 0.898 153 HB2 ASN 20 1HB ASN 20 -11.023 2.065 -1.947 154 HB3 ASN 20 2HB ASN 20 -11.354 0.946 -0.630 155 HD21 ASN 20 1HD2 ASN 20 -11.516 4.416 -0.233 156 HD22 ASN 20 2HD2 ASN 20 -13.232 4.506 -0.056 157 H GLU 21 H GLU 21 -7.689 2.807 0.844 158 HA GLU 21 HA GLU 21 -6.957 0.005 0.329 159 HB2 GLU 21 1HB GLU 21 -5.250 2.476 0.018 160 HB3 GLU 21 2HB GLU 21 -4.579 0.855 0.090 161 HG2 GLU 21 1HG GLU 21 -5.998 0.286 -1.887 162 HG3 GLU 21 2HG GLU 21 -6.412 1.994 -2.000 163 H GLU 22 H GLU 22 -5.523 -0.955 1.820 164 HA GLU 22 HA GLU 22 -5.197 0.502 4.358 165 HB2 GLU 22 1HB GLU 22 -5.755 -1.441 5.619 166 HB3 GLU 22 2HB GLU 22 -7.028 -1.243 4.424 167 HG2 GLU 22 1HG GLU 22 -5.993 -2.970 3.034 168 HG3 GLU 22 2HG GLU 22 -4.716 -3.162 4.233 169 H LEU 23 H LEU 23 -3.429 -0.384 5.706 170 HA LEU 23 HA LEU 23 -1.129 -0.977 4.063 171 HB2 LEU 23 1HB LEU 23 -1.565 0.371 6.474 172 HB3 LEU 23 2HB LEU 23 -0.685 -1.074 6.925 173 HG LEU 23 HG LEU 23 1.226 -0.453 5.693 174 HD11 LEU 23 1HD1 LEU 23 -0.723 1.198 4.154 175 HD12 LEU 23 2HD1 LEU 23 0.488 0.039 3.581 176 HD13 LEU 23 3HD1 LEU 23 0.984 1.635 4.162 177 HD21 LEU 23 3HD2 LEU 23 1.716 1.829 6.382 178 HD22 LEU 23 1HD2 LEU 23 0.885 0.960 7.668 179 HD23 LEU 23 2HD2 LEU 23 0.005 2.127 6.682 180 H ILE 24 H ILE 24 -0.712 -2.981 3.503 181 HA ILE 24 HA ILE 24 -1.723 -5.160 5.176 182 HB ILE 24 HB ILE 24 -2.130 -6.314 3.299 183 HG12 ILE 24 1HG1 ILE 24 0.347 -5.330 1.914 184 HG13 ILE 24 2HG1 ILE 24 0.442 -6.581 3.148 185 HG21 ILE 24 1HG2 ILE 24 -2.981 -4.143 2.648 186 HG22 ILE 24 2HG2 ILE 24 -2.334 -4.991 1.242 187 HG23 ILE 24 3HG2 ILE 24 -1.404 -3.697 1.994 188 HD11 ILE 24 3HD1 ILE 24 -1.134 -7.921 1.844 189 HD12 ILE 24 1HD1 ILE 24 0.382 -7.589 1.006 190 HD13 ILE 24 2HD1 ILE 24 -1.079 -6.695 0.577 191 H ALA 25 H ALA 25 1.236 -3.794 3.865 192 HA ALA 25 HA ALA 25 2.844 -5.442 5.617 193 HB1 ALA 25 3HB ALA 25 2.404 -6.975 3.726 194 HB2 ALA 25 1HB ALA 25 4.114 -6.562 3.882 195 HB3 ALA 25 2HB ALA 25 3.130 -5.799 2.631 196 H LEU 26 H LEU 26 5.064 -4.905 5.579 197 HA LEU 26 HA LEU 26 5.547 -2.161 4.685 198 HB2 LEU 26 1HB LEU 26 6.770 -3.917 6.789 199 HB3 LEU 26 2HB LEU 26 7.598 -2.474 6.234 200 HG LEU 26 HG LEU 26 6.470 -1.935 8.263 201 HD11 LEU 26 1HD1 LEU 26 6.397 -0.239 6.493 202 HD12 LEU 26 2HD1 LEU 26 5.021 -0.133 7.591 203 HD13 LEU 26 3HD1 LEU 26 4.820 -0.851 5.994 204 HD21 LEU 26 3HD2 LEU 26 4.055 -2.204 8.565 205 HD22 LEU 26 1HD2 LEU 26 4.862 -3.753 8.329 206 HD23 LEU 26 2HD2 LEU 26 3.956 -3.022 7.005 207 H CYS 27 H CYS 27 6.670 -1.903 2.884 208 HA CYS 27 HA CYS 27 8.078 -4.222 1.794 209 HB2 CYS 27 1HB CYS 27 7.030 -1.691 0.519 210 HB3 CYS 27 2HB CYS 27 7.933 -2.920 -0.356 211 HG CYS 27 HG CYS 27 5.476 -3.577 -1.135 212 H GLN 28 H GLN 28 9.948 -3.526 0.249 213 HA GLN 28 HA GLN 28 11.943 -2.276 1.868 214 HB2 GLN 28 1HB GLN 28 12.059 -3.114 -1.022 215 HB3 GLN 28 2HB GLN 28 13.438 -2.637 -0.048 216 HG2 GLN 28 1HG GLN 28 11.674 -5.025 0.433 217 HG3 GLN 28 2HG GLN 28 13.305 -5.048 -0.235 218 HE21 GLN 28 1HE2 GLN 28 15.054 -4.600 1.108 219 HE22 GLN 28 2HE2 GLN 28 14.930 -4.688 2.830 220 H LYS 29 H LYS 29 13.412 -0.595 0.744 221 HA LYS 29 HA LYS 29 13.670 1.609 0.204 222 HB2 LYS 29 1HB LYS 29 11.282 1.042 -1.546 223 HB3 LYS 29 2HB LYS 29 12.292 2.473 -1.663 224 HG2 LYS 29 1HG LYS 29 14.155 1.206 -2.393 225 HG3 LYS 29 2HG LYS 29 13.354 -0.316 -1.997 226 HD2 LYS 29 1HD LYS 29 12.447 1.630 -4.121 227 HD3 LYS 29 2HD LYS 29 13.360 0.150 -4.420 228 HE2 LYS 29 1HE LYS 29 11.515 -1.142 -3.392 229 HE3 LYS 29 2HE LYS 29 10.598 0.354 -3.226 230 HZ1 LYS 29 3HZ LYS 29 11.522 -0.826 -5.786 231 HZ2 LYS 29 1HZ LYS 29 10.643 0.609 -5.623 232 HZ3 LYS 29 2HZ LYS 29 9.943 -0.865 -5.192 233 H SER 30 H SER 30 11.745 0.614 2.249 234 HA SER 30 HA SER 30 10.305 1.277 3.809 235 HB2 SER 30 1HB SER 30 10.232 3.675 4.439 236 HB3 SER 30 2HB SER 30 11.863 3.032 4.307 237 HG SER 30 HG SER 30 11.072 4.064 1.945 238 H LEU 31 H LEU 31 9.396 1.091 0.893 239 HA LEU 31 HA LEU 31 7.036 2.690 0.806 240 HB2 LEU 31 1HB LEU 31 8.075 0.331 -0.718 241 HB3 LEU 31 2HB LEU 31 6.398 0.787 -0.883 242 HG LEU 31 HG LEU 31 7.960 1.667 -2.637 243 HD11 LEU 31 1HD1 LEU 31 6.442 3.723 -1.040 244 HD12 LEU 31 2HD1 LEU 31 5.743 2.620 -2.225 245 HD13 LEU 31 3HD1 LEU 31 6.898 3.847 -2.740 246 HD21 LEU 31 3HD2 LEU 31 8.853 3.498 -0.432 247 HD22 LEU 31 1HD2 LEU 31 9.278 3.633 -2.138 248 HD23 LEU 31 2HD2 LEU 31 9.834 2.250 -1.198 249 H LYS 32 H LYS 32 4.858 1.844 0.894 250 HA LYS 32 HA LYS 32 4.573 -0.355 2.839 251 HB2 LYS 32 1HB LYS 32 3.056 2.205 2.458 252 HB3 LYS 32 2HB LYS 32 2.266 0.814 3.172 253 HG2 LYS 32 1HG LYS 32 3.064 2.316 4.881 254 HG3 LYS 32 2HG LYS 32 3.927 0.779 4.964 255 HD2 LYS 32 1HD LYS 32 5.812 1.794 3.760 256 HD3 LYS 32 2HD LYS 32 4.931 3.318 3.658 257 HE2 LYS 32 1HE LYS 32 4.880 3.341 6.164 258 HE3 LYS 32 2HE LYS 32 5.968 1.954 6.135 259 HZ1 LYS 32 3HZ LYS 32 6.497 4.689 5.126 260 HZ2 LYS 32 1HZ LYS 32 7.495 3.370 4.767 261 HZ3 LYS 32 2HZ LYS 32 7.301 3.873 6.368 262 H CYS 33 H CYS 33 3.269 -2.054 2.285 263 HA CYS 33 HA CYS 33 2.272 -2.085 -0.427 264 HB2 CYS 33 1HB CYS 33 3.329 -4.097 0.554 265 HB3 CYS 33 2HB CYS 33 2.024 -4.186 1.733 266 HG CYS 33 HG CYS 33 1.811 -4.691 -1.637 267 H CYS 34 H CYS 34 0.391 -1.237 -0.913 268 HA CYS 34 HA CYS 34 -1.720 -1.213 1.137 269 HB2 CYS 34 1HB CYS 34 -1.380 0.708 -1.176 270 HB3 CYS 34 2HB CYS 34 -2.539 0.834 0.145 271 HG CYS 34 HG CYS 34 0.820 0.899 0.744 272 H ARG 35 H ARG 35 -3.463 -2.386 0.698 273 HA ARG 35 HA ARG 35 -3.868 -3.251 -2.085 274 HB2 ARG 35 1HB ARG 35 -5.074 -5.169 -1.232 275 HB3 ARG 35 2HB ARG 35 -3.501 -5.077 -0.461 276 HG2 ARG 35 1HG ARG 35 -4.695 -3.943 1.481 277 HG3 ARG 35 2HG ARG 35 -6.194 -4.477 0.719 278 HD2 ARG 35 1HD ARG 35 -5.362 -6.799 0.782 279 HD3 ARG 35 2HD ARG 35 -3.909 -6.242 1.591 280 HE ARG 35 HE ARG 35 -6.273 -5.482 3.004 281 HH11 ARG 35 1HH1 ARG 35 -4.092 -8.159 2.410 282 HH12 ARG 35 2HH1 ARG 35 -4.422 -8.933 3.925 283 HH21 ARG 35 1HH2 ARG 35 -6.705 -6.504 5.006 284 HH22 ARG 35 2HH2 ARG 35 -5.916 -8.004 5.391 285 H THR 36 H THR 36 -5.658 -2.726 -3.147 286 HA THR 36 HA THR 36 -7.467 -0.830 -1.970 287 HB THR 36 HB THR 36 -7.843 -2.143 -4.654 288 HG1 THR 36 HG1 THR 36 -5.822 -0.410 -3.802 289 HG21 THR 36 1HG2 THR 36 -9.628 -0.673 -3.840 290 HG22 THR 36 2HG2 THR 36 -8.807 0.035 -5.230 291 HG23 THR 36 3HG2 THR 36 -8.456 0.624 -3.606 292 H ILE 37 H ILE 37 -9.302 -1.268 -0.979 293 HA ILE 37 HA ILE 37 -9.963 -3.967 -0.416 294 HB ILE 37 HB ILE 37 -11.620 -1.531 0.208 295 HG12 ILE 37 1HG1 ILE 37 -9.288 -1.229 0.944 296 HG13 ILE 37 2HG1 ILE 37 -10.361 -1.433 2.318 297 HG21 ILE 37 1HG2 ILE 37 -12.341 -2.927 2.131 298 HG22 ILE 37 2HG2 ILE 37 -11.427 -4.273 1.456 299 HG23 ILE 37 3HG2 ILE 37 -12.799 -3.606 0.569 300 HD11 ILE 37 3HD1 ILE 37 -8.600 -3.561 1.128 301 HD12 ILE 37 1HD1 ILE 37 -9.663 -3.760 2.522 302 HD13 ILE 37 2HD1 ILE 37 -8.286 -2.661 2.614 303 H GLN 38 H GLN 38 -11.035 -5.274 -1.605 304 HA GLN 38 HA GLN 38 -12.715 -4.455 -3.785 305 HB2 GLN 38 1HB GLN 38 -13.107 -6.932 -3.999 306 HB3 GLN 38 2HB GLN 38 -11.417 -6.453 -4.066 307 HG2 GLN 38 1HG GLN 38 -11.164 -7.087 -1.702 308 HG3 GLN 38 2HG GLN 38 -12.843 -7.622 -1.685 309 HE21 GLN 38 1HE2 GLN 38 -12.714 -8.719 -4.374 310 HE22 GLN 38 2HE2 GLN 38 -11.795 -10.177 -4.261 311 HA PRO 39 HA PRO 39 -16.610 -4.129 -1.646 312 HB2 PRO 39 1HB PRO 39 -17.676 -5.586 -4.018 313 HB3 PRO 39 2HB PRO 39 -18.219 -4.067 -3.294 314 HG2 PRO 39 1HG PRO 39 -16.832 -4.078 -5.572 315 HG3 PRO 39 2HG PRO 39 -16.573 -2.823 -4.347 316 HD2 PRO 39 1HD PRO 39 -14.883 -5.182 -5.030 317 HD3 PRO 39 2HD PRO 39 -14.399 -3.561 -4.494 318 H SER 40 H SER 40 -17.078 -5.439 -0.012 319 HA SER 40 HA SER 40 -17.026 -8.347 -0.484 320 HB2 SER 40 1HB SER 40 -16.066 -6.845 1.966 321 HB3 SER 40 2HB SER 40 -16.040 -8.595 1.753 322 HG SER 40 HG SER 40 -14.677 -6.742 0.075 323 H GLY 41 H GLY 41 -18.257 -9.594 1.152 324 HA2 GLY 41 1HA GLY 41 -20.847 -8.489 1.617 325 HA3 GLY 41 2HA GLY 41 -20.257 -10.038 2.211 326 H SER 42 H SER 42 -21.431 -7.187 3.188 327 HA SER 42 HA SER 42 -21.498 -6.017 5.121 328 HB2 SER 42 1HB SER 42 -19.697 -8.146 6.296 329 HB3 SER 42 2HB SER 42 -20.656 -6.969 7.188 330 HG SER 42 HG SER 42 -21.751 -8.917 5.431 331 H ILE 43 H ILE 43 -20.534 -4.145 5.301 332 HA ILE 43 HA ILE 43 -18.964 -2.571 5.775 333 HB ILE 43 HB ILE 43 -16.872 -4.746 5.856 334 HG12 ILE 43 1HG1 ILE 43 -18.517 -3.595 8.129 335 HG13 ILE 43 2HG1 ILE 43 -18.685 -5.220 7.468 336 HG21 ILE 43 1HG2 ILE 43 -15.992 -2.478 5.626 337 HG22 ILE 43 2HG2 ILE 43 -15.619 -3.146 7.214 338 HG23 ILE 43 3HG2 ILE 43 -16.919 -1.969 7.035 339 HD11 ILE 43 3HD1 ILE 43 -16.238 -4.127 8.839 340 HD12 ILE 43 1HD1 ILE 43 -16.435 -5.761 8.207 341 HD13 ILE 43 2HD1 ILE 43 -17.430 -5.212 9.554 342 H ILE 44 H ILE 44 -18.173 -1.198 4.418 343 HA ILE 44 HA ILE 44 -17.454 -0.213 2.535 344 HB ILE 44 HB ILE 44 -15.384 -0.566 3.724 345 HG12 ILE 44 1HG1 ILE 44 -14.962 -1.006 0.768 346 HG13 ILE 44 2HG1 ILE 44 -15.433 0.532 1.482 347 HG21 ILE 44 1HG2 ILE 44 -13.871 -2.377 3.294 348 HG22 ILE 44 2HG2 ILE 44 -14.961 -3.061 2.091 349 HG23 ILE 44 3HG2 ILE 44 -15.428 -3.044 3.793 350 HD11 ILE 44 3HD1 ILE 44 -13.047 0.439 1.007 351 HD12 ILE 44 1HD1 ILE 44 -12.889 -0.962 2.065 352 HD13 ILE 44 2HD1 ILE 44 -13.355 0.599 2.737 353 H ASP 45 H ASP 45 -18.807 -0.505 0.922 354 HA ASP 45 HA ASP 45 -18.393 -2.765 -0.898 355 HB2 ASP 45 1HB ASP 45 -20.627 -0.759 -0.613 356 HB3 ASP 45 2HB ASP 45 -20.487 -1.807 -2.017 Start of MODEL 5 1 H PHE 1 1H PHE 1 9.051 -11.218 1.049 2 HA PHE 1 HA PHE 1 7.497 -13.001 0.574 3 HB2 PHE 1 1HB PHE 1 8.062 -14.399 2.533 4 HB3 PHE 1 2HB PHE 1 7.314 -13.203 3.587 5 HD1 PHE 1 HD1 PHE 1 6.572 -15.481 0.745 6 HD2 PHE 1 HD2 PHE 1 5.052 -13.354 4.104 7 HE1 PHE 1 HE1 PHE 1 4.399 -16.599 0.466 8 HE2 PHE 1 HE2 PHE 1 2.876 -14.471 3.830 9 HZ PHE 1 HZ PHE 1 2.549 -16.096 2.010 10 H PHE 2 H PHE 2 7.714 -10.248 2.627 11 HA PHE 2 HA PHE 2 5.121 -9.585 3.196 12 HB2 PHE 2 1HB PHE 2 7.470 -7.858 2.475 13 HB3 PHE 2 2HB PHE 2 5.905 -7.150 2.855 14 HD1 PHE 2 HD2 PHE 2 4.827 -7.993 5.090 15 HD2 PHE 2 HD1 PHE 2 8.977 -8.188 4.179 16 HE1 PHE 2 HE2 PHE 2 5.344 -8.111 7.491 17 HE2 PHE 2 HE1 PHE 2 9.501 -8.307 6.577 18 HZ PHE 2 HZ PHE 2 7.684 -8.267 8.237 19 H ASP 3 H ASP 3 6.830 -8.661 0.177 20 HA ASP 3 HA ASP 3 4.243 -7.832 -0.857 21 HB2 ASP 3 1HB ASP 3 5.376 -6.738 -2.647 22 HB3 ASP 3 2HB ASP 3 6.140 -6.287 -1.132 23 H GLU 4 H GLU 4 5.894 -10.607 -0.758 24 HA GLU 4 HA GLU 4 5.155 -11.660 -3.320 25 HB2 GLU 4 1HB GLU 4 6.791 -12.588 -1.425 26 HB3 GLU 4 2HB GLU 4 5.328 -13.389 -0.882 27 HG2 GLU 4 1HG GLU 4 6.414 -13.636 -3.673 28 HG3 GLU 4 2HG GLU 4 6.820 -14.741 -2.366 29 H LYS 5 H LYS 5 3.782 -11.453 -0.093 30 HA LYS 5 HA LYS 5 1.254 -12.596 -0.762 31 HB2 LYS 5 1HB LYS 5 2.269 -12.349 1.567 32 HB3 LYS 5 2HB LYS 5 1.825 -10.655 1.476 33 HG2 LYS 5 1HG LYS 5 0.177 -11.897 2.738 34 HG3 LYS 5 2HG LYS 5 -0.532 -11.285 1.242 35 HD2 LYS 5 1HD LYS 5 -0.468 -13.423 0.226 36 HD3 LYS 5 2HD LYS 5 0.588 -14.069 1.483 37 HE2 LYS 5 1HE LYS 5 -1.696 -14.873 1.757 38 HE3 LYS 5 2HE LYS 5 -1.216 -13.859 3.114 39 HZ1 LYS 5 3HZ LYS 5 -2.877 -12.965 0.819 40 HZ2 LYS 5 1HZ LYS 5 -2.460 -12.036 2.170 41 HZ3 LYS 5 2HZ LYS 5 -3.467 -13.378 2.346 42 H CYS 6 H CYS 6 2.654 -9.362 -0.794 43 HA CYS 6 HA CYS 6 0.327 -7.879 -1.341 44 HB2 CYS 6 1HB CYS 6 2.597 -6.939 -0.761 45 HB3 CYS 6 2HB CYS 6 3.116 -7.347 -2.388 46 HG CYS 6 HG CYS 6 1.691 -5.490 -3.697 47 H ASN 7 H ASN 7 2.671 -9.454 -3.453 48 HA ASN 7 HA ASN 7 1.603 -8.793 -5.940 49 HB2 ASN 7 1HB ASN 7 3.809 -9.862 -5.548 50 HB3 ASN 7 2HB ASN 7 2.990 -11.356 -5.131 51 HD21 ASN 7 1HD2 ASN 7 2.062 -9.150 -7.711 52 HD22 ASN 7 2HD2 ASN 7 2.404 -10.245 -9.006 53 H LYS 8 H LYS 8 0.976 -11.534 -3.828 54 HA LYS 8 HA LYS 8 -0.829 -12.928 -5.437 55 HB2 LYS 8 1HB LYS 8 0.249 -13.799 -3.376 56 HB3 LYS 8 2HB LYS 8 -0.806 -12.772 -2.419 57 HG2 LYS 8 1HG LYS 8 -1.630 -15.046 -2.448 58 HG3 LYS 8 2HG LYS 8 -2.755 -13.976 -3.288 59 HD2 LYS 8 1HD LYS 8 -1.883 -14.697 -5.430 60 HD3 LYS 8 2HD LYS 8 -0.679 -15.704 -4.627 61 HE2 LYS 8 1HE LYS 8 -2.457 -17.063 -3.657 62 HE3 LYS 8 2HE LYS 8 -3.667 -16.045 -4.434 63 HZ1 LYS 8 3HZ LYS 8 -1.628 -17.660 -5.860 64 HZ2 LYS 8 1HZ LYS 8 -2.839 -16.726 -6.580 65 HZ3 LYS 8 2HZ LYS 8 -3.253 -18.089 -5.673 66 H LEU 9 H LEU 9 -1.347 -10.277 -3.172 67 HA LEU 9 HA LEU 9 -4.225 -10.358 -3.571 68 HB2 LEU 9 1HB LEU 9 -2.522 -8.449 -1.973 69 HB3 LEU 9 2HB LEU 9 -4.271 -8.521 -1.951 70 HG LEU 9 HG LEU 9 -2.420 -10.711 -1.006 71 HD11 LEU 9 1HD1 LEU 9 -4.142 -8.774 0.532 72 HD12 LEU 9 2HD1 LEU 9 -2.379 -8.792 0.476 73 HD13 LEU 9 3HD1 LEU 9 -3.251 -10.131 1.225 74 HD21 LEU 9 3HD2 LEU 9 -4.449 -11.766 -0.157 75 HD22 LEU 9 1HD2 LEU 9 -4.510 -11.585 -1.908 76 HD23 LEU 9 2HD2 LEU 9 -5.423 -10.487 -0.876 77 H LYS 10 H LYS 10 -1.703 -9.210 -5.270 78 HA LYS 10 HA LYS 10 -1.430 -7.768 -6.983 79 HB2 LYS 10 1HB LYS 10 -4.448 -7.717 -6.893 80 HB3 LYS 10 2HB LYS 10 -3.509 -6.874 -8.114 81 HG2 LYS 10 1HG LYS 10 -4.127 -8.853 -9.153 82 HG3 LYS 10 2HG LYS 10 -2.474 -9.163 -8.624 83 HD2 LYS 10 1HD LYS 10 -3.360 -10.319 -6.634 84 HD3 LYS 10 2HD LYS 10 -4.997 -10.055 -7.235 85 HE2 LYS 10 1HE LYS 10 -4.427 -11.343 -9.261 86 HE3 LYS 10 2HE LYS 10 -2.827 -11.656 -8.587 87 HZ1 LYS 10 3HZ LYS 10 -5.424 -12.535 -7.451 88 HZ2 LYS 10 1HZ LYS 10 -3.925 -12.757 -6.700 89 HZ3 LYS 10 2HZ LYS 10 -4.256 -13.522 -8.173 90 H GLY 11 H GLY 11 -1.146 -6.778 -4.390 91 HA2 GLY 11 1HA GLY 11 -2.276 -4.075 -4.464 92 HA3 GLY 11 2HA GLY 11 -1.392 -4.795 -3.124 93 H THR 12 H THR 12 -0.755 -2.253 -3.944 94 HA THR 12 HA THR 12 1.763 -2.643 -5.440 95 HB THR 12 HB THR 12 0.393 0.019 -5.207 96 HG1 THR 12 HG1 THR 12 -1.166 -1.377 -6.103 97 HG21 THR 12 1HG2 THR 12 1.548 0.429 -7.339 98 HG22 THR 12 2HG2 THR 12 2.211 -1.204 -7.285 99 HG23 THR 12 3HG2 THR 12 2.677 -0.023 -6.061 100 H CYS 13 H CYS 13 3.634 -1.618 -4.642 101 HA CYS 13 HA CYS 13 3.512 -0.869 -1.838 102 HB2 CYS 13 1HB CYS 13 6.007 -0.878 -3.541 103 HB3 CYS 13 2HB CYS 13 5.873 -1.024 -1.797 104 HG CYS 13 HG CYS 13 5.818 -3.579 -1.693 105 H LYS 14 H LYS 14 2.863 1.106 -1.455 106 HA LYS 14 HA LYS 14 4.017 3.310 -3.012 107 HB2 LYS 14 1HB LYS 14 1.809 4.486 -2.790 108 HB3 LYS 14 2HB LYS 14 1.792 3.090 -3.859 109 HG2 LYS 14 1HG LYS 14 0.720 1.750 -2.185 110 HG3 LYS 14 2HG LYS 14 0.883 3.037 -0.991 111 HD2 LYS 14 1HD LYS 14 -1.378 3.006 -1.818 112 HD3 LYS 14 2HD LYS 14 -0.570 4.466 -2.390 113 HE2 LYS 14 1HE LYS 14 -0.203 3.417 -4.562 114 HE3 LYS 14 2HE LYS 14 -0.972 1.938 -3.990 115 HZ1 LYS 14 3HZ LYS 14 -2.510 3.254 -5.279 116 HZ2 LYS 14 1HZ LYS 14 -2.279 4.590 -4.268 117 HZ3 LYS 14 2HZ LYS 14 -3.029 3.191 -3.668 118 H ASN 15 H ASN 15 3.454 5.460 -1.802 119 HA ASN 15 HA ASN 15 4.629 5.265 0.790 120 HB2 ASN 15 1HB ASN 15 5.086 7.162 -0.661 121 HB3 ASN 15 2HB ASN 15 3.400 7.591 -0.634 122 HD21 ASN 15 1HD2 ASN 15 6.328 7.438 1.257 123 HD22 ASN 15 2HD2 ASN 15 5.810 8.538 2.491 124 H ASN 16 H ASN 16 1.684 6.874 -0.212 125 HA ASN 16 HA ASN 16 0.429 6.103 2.342 126 HB2 ASN 16 1HB ASN 16 -1.008 8.126 2.010 127 HB3 ASN 16 2HB ASN 16 0.701 8.492 2.217 128 HD21 ASN 16 1HD2 ASN 16 1.915 9.137 0.423 129 HD22 ASN 16 2HD2 ASN 16 1.152 9.812 -0.978 130 H CYS 17 H CYS 17 -1.671 5.367 2.355 131 HA CYS 17 HA CYS 17 -2.441 3.844 0.075 132 HB2 CYS 17 1HB CYS 17 -4.071 4.413 2.554 133 HB3 CYS 17 2HB CYS 17 -4.249 3.052 1.456 134 HG CYS 17 HG CYS 17 -1.630 2.058 2.140 135 H GLY 18 H GLY 18 -3.956 4.251 -1.443 136 HA2 GLY 18 1HA GLY 18 -5.068 6.942 -1.539 137 HA3 GLY 18 2HA GLY 18 -5.078 5.756 -2.838 138 H LYS 19 H LYS 19 -7.321 6.320 -3.137 139 HA LYS 19 HA LYS 19 -9.296 6.084 -1.197 140 HB2 LYS 19 1HB LYS 19 -10.852 5.669 -3.146 141 HB3 LYS 19 2HB LYS 19 -9.882 7.129 -3.234 142 HG2 LYS 19 1HG LYS 19 -9.690 6.357 -5.372 143 HG3 LYS 19 2HG LYS 19 -8.270 5.619 -4.636 144 HD2 LYS 19 1HD LYS 19 -9.523 3.522 -4.342 145 HD3 LYS 19 2HD LYS 19 -10.933 4.271 -5.099 146 HE2 LYS 19 1HE LYS 19 -9.636 4.615 -7.149 147 HE3 LYS 19 2HE LYS 19 -8.241 3.849 -6.390 148 HZ1 LYS 19 3HZ LYS 19 -10.851 2.547 -6.947 149 HZ2 LYS 19 1HZ LYS 19 -9.529 1.809 -6.193 150 HZ3 LYS 19 2HZ LYS 19 -9.414 2.301 -7.803 151 H ASN 20 H ASN 20 -10.235 4.483 -0.188 152 HA ASN 20 HA ASN 20 -10.719 2.404 0.576 153 HB2 ASN 20 1HB ASN 20 -10.800 1.759 -2.382 154 HB3 ASN 20 2HB ASN 20 -11.472 0.755 -1.104 155 HD21 ASN 20 1HD2 ASN 20 -13.356 1.427 -0.050 156 HD22 ASN 20 2HD2 ASN 20 -14.387 2.640 -0.727 157 H GLU 21 H GLU 21 -8.107 2.742 0.950 158 HA GLU 21 HA GLU 21 -7.069 0.083 0.280 159 HB2 GLU 21 1HB GLU 21 -5.606 2.689 -0.080 160 HB3 GLU 21 2HB GLU 21 -4.749 1.169 0.124 161 HG2 GLU 21 1HG GLU 21 -5.994 0.295 -1.854 162 HG3 GLU 21 2HG GLU 21 -6.631 1.921 -2.097 163 H GLU 22 H GLU 22 -5.608 -0.801 1.749 164 HA GLU 22 HA GLU 22 -5.252 0.675 4.271 165 HB2 GLU 22 1HB GLU 22 -5.668 -1.325 5.558 166 HB3 GLU 22 2HB GLU 22 -7.048 -1.025 4.515 167 HG2 GLU 22 1HG GLU 22 -6.262 -2.735 2.966 168 HG3 GLU 22 2HG GLU 22 -4.859 -3.017 3.993 169 H LEU 23 H LEU 23 -3.480 -0.296 5.612 170 HA LEU 23 HA LEU 23 -1.215 -0.819 3.865 171 HB2 LEU 23 1HB LEU 23 -1.507 0.729 6.112 172 HB3 LEU 23 2HB LEU 23 -0.759 -0.715 6.762 173 HG LEU 23 HG LEU 23 1.210 -0.417 5.483 174 HD11 LEU 23 1HD1 LEU 23 0.436 0.020 3.331 175 HD12 LEU 23 2HD1 LEU 23 1.284 1.499 3.796 176 HD13 LEU 23 3HD1 LEU 23 -0.479 1.440 3.846 177 HD21 LEU 23 3HD2 LEU 23 1.063 1.117 7.357 178 HD22 LEU 23 1HD2 LEU 23 0.226 2.298 6.351 179 HD23 LEU 23 2HD2 LEU 23 1.904 1.880 6.007 180 H ILE 24 H ILE 24 -0.760 -2.812 3.393 181 HA ILE 24 HA ILE 24 -1.811 -4.954 5.086 182 HB ILE 24 HB ILE 24 -2.222 -6.153 3.210 183 HG12 ILE 24 1HG1 ILE 24 -0.023 -5.003 1.550 184 HG13 ILE 24 2HG1 ILE 24 0.418 -6.103 2.851 185 HG21 ILE 24 1HG2 ILE 24 -2.637 -4.737 1.241 186 HG22 ILE 24 2HG2 ILE 24 -1.740 -3.431 2.012 187 HG23 ILE 24 3HG2 ILE 24 -3.241 -4.016 2.733 188 HD11 ILE 24 3HD1 ILE 24 -1.120 -7.757 1.900 189 HD12 ILE 24 1HD1 ILE 24 0.216 -7.325 0.834 190 HD13 ILE 24 2HD1 ILE 24 -1.396 -6.667 0.541 191 H ALA 25 H ALA 25 1.197 -3.716 3.761 192 HA ALA 25 HA ALA 25 2.732 -5.463 5.476 193 HB1 ALA 25 3HB ALA 25 2.238 -6.941 3.560 194 HB2 ALA 25 1HB ALA 25 3.960 -6.594 3.721 195 HB3 ALA 25 2HB ALA 25 3.007 -5.775 2.486 196 H LEU 26 H LEU 26 5.055 -5.133 5.195 197 HA LEU 26 HA LEU 26 5.588 -2.317 4.557 198 HB2 LEU 26 1HB LEU 26 6.779 -4.172 6.605 199 HB3 LEU 26 2HB LEU 26 7.437 -2.582 6.251 200 HG LEU 26 HG LEU 26 4.699 -3.176 7.387 201 HD11 LEU 26 1HD1 LEU 26 6.504 -3.528 8.985 202 HD12 LEU 26 2HD1 LEU 26 5.557 -2.100 9.401 203 HD13 LEU 26 3HD1 LEU 26 7.137 -1.919 8.637 204 HD21 LEU 26 3HD2 LEU 26 6.026 -0.539 6.766 205 HD22 LEU 26 1HD2 LEU 26 4.517 -0.739 7.655 206 HD23 LEU 26 2HD2 LEU 26 4.611 -1.216 5.961 207 H CYS 27 H CYS 27 6.990 -1.936 2.973 208 HA CYS 27 HA CYS 27 8.672 -4.162 2.042 209 HB2 CYS 27 1HB CYS 27 7.288 -1.929 0.594 210 HB3 CYS 27 2HB CYS 27 8.675 -2.727 -0.131 211 HG CYS 27 HG CYS 27 5.971 -4.509 0.935 212 H GLN 28 H GLN 28 10.700 -3.511 0.974 213 HA GLN 28 HA GLN 28 12.196 -1.691 2.569 214 HB2 GLN 28 1HB GLN 28 12.919 -3.042 -0.025 215 HB3 GLN 28 2HB GLN 28 14.040 -2.188 1.018 216 HG2 GLN 28 1HG GLN 28 13.625 -3.783 2.805 217 HG3 GLN 28 2HG GLN 28 12.472 -4.639 1.785 218 HE21 GLN 28 1HE2 GLN 28 13.650 -6.550 1.918 219 HE22 GLN 28 2HE2 GLN 28 15.148 -6.766 1.079 220 H LYS 29 H LYS 29 13.670 -0.076 1.283 221 HA LYS 29 HA LYS 29 13.765 2.009 0.379 222 HB2 LYS 29 1HB LYS 29 11.499 1.012 -1.344 223 HB3 LYS 29 2HB LYS 29 12.315 2.548 -1.577 224 HG2 LYS 29 1HG LYS 29 14.442 1.247 -1.889 225 HG3 LYS 29 2HG LYS 29 13.454 -0.214 -1.908 226 HD2 LYS 29 1HD LYS 29 13.131 2.133 -3.779 227 HD3 LYS 29 2HD LYS 29 13.956 0.628 -4.176 228 HE2 LYS 29 1HE LYS 29 11.098 0.694 -3.250 229 HE3 LYS 29 2HE LYS 29 11.537 0.877 -4.948 230 HZ1 LYS 29 3HZ LYS 29 11.010 -1.411 -4.443 231 HZ2 LYS 29 1HZ LYS 29 12.181 -1.454 -3.223 232 HZ3 LYS 29 2HZ LYS 29 12.648 -1.277 -4.836 233 H SER 30 H SER 30 11.611 0.981 2.382 234 HA SER 30 HA SER 30 10.293 1.969 3.928 235 HB2 SER 30 1HB SER 30 10.734 4.534 2.388 236 HB3 SER 30 2HB SER 30 9.991 4.405 3.983 237 HG SER 30 HG SER 30 12.591 3.420 3.429 238 H LEU 31 H LEU 31 9.526 1.505 0.767 239 HA LEU 31 HA LEU 31 6.936 2.628 0.612 240 HB2 LEU 31 1HB LEU 31 8.366 0.419 -0.839 241 HB3 LEU 31 2HB LEU 31 6.665 0.689 -1.107 242 HG LEU 31 HG LEU 31 8.122 1.736 -2.797 243 HD11 LEU 31 1HD1 LEU 31 5.894 2.618 -2.393 244 HD12 LEU 31 2HD1 LEU 31 7.015 3.909 -2.819 245 HD13 LEU 31 3HD1 LEU 31 6.532 3.680 -1.138 246 HD21 LEU 31 3HD2 LEU 31 9.371 3.752 -2.257 247 HD22 LEU 31 1HD2 LEU 31 10.008 2.345 -1.407 248 HD23 LEU 31 2HD2 LEU 31 9.009 3.515 -0.547 249 H LYS 32 H LYS 32 4.895 1.647 0.908 250 HA LYS 32 HA LYS 32 4.929 -0.825 2.525 251 HB2 LYS 32 1HB LYS 32 2.989 1.483 2.681 252 HB3 LYS 32 2HB LYS 32 2.808 -0.034 3.542 253 HG2 LYS 32 1HG LYS 32 3.699 1.203 5.192 254 HG3 LYS 32 2HG LYS 32 5.202 0.637 4.453 255 HD2 LYS 32 1HD LYS 32 5.395 2.698 3.186 256 HD3 LYS 32 2HD LYS 32 3.852 3.263 3.827 257 HE2 LYS 32 1HE LYS 32 5.658 4.323 5.023 258 HE3 LYS 32 2HE LYS 32 4.811 3.212 6.098 259 HZ1 LYS 32 3HZ LYS 32 7.220 3.049 6.319 260 HZ2 LYS 32 1HZ LYS 32 7.357 2.626 4.686 261 HZ3 LYS 32 2HZ LYS 32 6.562 1.594 5.766 262 H CYS 33 H CYS 33 3.163 -2.285 2.188 263 HA CYS 33 HA CYS 33 2.200 -2.207 -0.546 264 HB2 CYS 33 1HB CYS 33 1.976 -4.276 1.638 265 HB3 CYS 33 2HB CYS 33 1.306 -4.470 0.026 266 HG CYS 33 HG CYS 33 3.591 -4.786 -1.294 267 H CYS 34 H CYS 34 0.324 -1.331 -1.056 268 HA CYS 34 HA CYS 34 -1.788 -1.258 0.996 269 HB2 CYS 34 1HB CYS 34 -1.366 0.607 -1.351 270 HB3 CYS 34 2HB CYS 34 -2.690 0.703 -0.195 271 HG CYS 34 HG CYS 34 0.592 1.022 0.710 272 H ARG 35 H ARG 35 -3.663 -2.247 0.562 273 HA ARG 35 HA ARG 35 -4.041 -3.232 -2.192 274 HB2 ARG 35 1HB ARG 35 -5.259 -5.134 -1.310 275 HB3 ARG 35 2HB ARG 35 -3.666 -5.058 -0.580 276 HG2 ARG 35 1HG ARG 35 -4.816 -3.891 1.381 277 HG3 ARG 35 2HG ARG 35 -6.326 -4.448 0.660 278 HD2 ARG 35 1HD ARG 35 -5.564 -6.754 0.798 279 HD3 ARG 35 2HD ARG 35 -4.010 -6.229 1.413 280 HE ARG 35 HE ARG 35 -5.774 -5.210 3.201 281 HH11 ARG 35 1HH1 ARG 35 -5.270 -8.422 1.911 282 HH12 ARG 35 2HH1 ARG 35 -5.719 -9.222 3.379 283 HH21 ARG 35 1HH2 ARG 35 -6.367 -6.244 5.133 284 HH22 ARG 35 2HH2 ARG 35 -6.351 -7.985 5.215 285 H THR 36 H THR 36 -5.885 -2.786 -3.226 286 HA THR 36 HA THR 36 -7.576 -0.767 -2.061 287 HB THR 36 HB THR 36 -7.891 -2.075 -4.767 288 HG1 THR 36 HG1 THR 36 -5.930 -0.444 -3.804 289 HG21 THR 36 1HG2 THR 36 -9.798 -0.714 -3.977 290 HG22 THR 36 2HG2 THR 36 -8.994 0.016 -5.365 291 HG23 THR 36 3HG2 THR 36 -8.710 0.657 -3.748 292 H ILE 37 H ILE 37 -9.308 -1.119 -0.978 293 HA ILE 37 HA ILE 37 -10.347 -3.714 -0.494 294 HB ILE 37 HB ILE 37 -11.528 -1.034 0.233 295 HG12 ILE 37 1HG1 ILE 37 -9.263 -1.089 1.030 296 HG13 ILE 37 2HG1 ILE 37 -10.323 -1.386 2.398 297 HG21 ILE 37 1HG2 ILE 37 -12.560 -2.268 2.091 298 HG22 ILE 37 2HG2 ILE 37 -11.896 -3.768 1.445 299 HG23 ILE 37 3HG2 ILE 37 -13.092 -2.862 0.518 300 HD11 ILE 37 3HD1 ILE 37 -9.870 -3.794 2.187 301 HD12 ILE 37 1HD1 ILE 37 -8.421 -2.844 2.513 302 HD13 ILE 37 2HD1 ILE 37 -8.738 -3.437 0.884 303 H GLN 38 H GLN 38 -11.972 -4.739 -1.414 304 HA GLN 38 HA GLN 38 -13.601 -3.376 -3.416 305 HB2 GLN 38 1HB GLN 38 -13.390 -6.297 -2.652 306 HB3 GLN 38 2HB GLN 38 -14.419 -5.670 -3.932 307 HG2 GLN 38 1HG GLN 38 -11.415 -5.519 -3.839 308 HG3 GLN 38 2HG GLN 38 -12.375 -6.615 -4.832 309 HE21 GLN 38 1HE2 GLN 38 -13.504 -5.798 -6.597 310 HE22 GLN 38 2HE2 GLN 38 -13.142 -4.254 -7.282 311 HA PRO 39 HA PRO 39 -16.894 -2.608 -0.491 312 HB2 PRO 39 1HB PRO 39 -18.509 -3.043 -2.966 313 HB3 PRO 39 2HB PRO 39 -18.603 -1.738 -1.780 314 HG2 PRO 39 1HG PRO 39 -17.438 -1.333 -4.133 315 HG3 PRO 39 2HG PRO 39 -16.759 -0.631 -2.653 316 HD2 PRO 39 1HD PRO 39 -15.811 -2.957 -4.253 317 HD3 PRO 39 2HD PRO 39 -14.878 -1.763 -3.332 318 H SER 40 H SER 40 -17.924 -3.974 0.799 319 HA SER 40 HA SER 40 -19.072 -5.765 1.602 320 HB2 SER 40 1HB SER 40 -20.498 -5.647 -0.406 321 HB3 SER 40 2HB SER 40 -19.324 -6.625 -1.286 322 HG SER 40 HG SER 40 -19.821 -8.036 0.812 323 H GLY 41 H GLY 41 -16.180 -5.828 0.053 324 HA2 GLY 41 1HA GLY 41 -15.539 -8.600 0.118 325 HA3 GLY 41 2HA GLY 41 -14.391 -7.271 0.035 326 H SER 42 H SER 42 -14.668 -9.837 1.673 327 HA SER 42 HA SER 42 -14.673 -8.726 4.376 328 HB2 SER 42 1HB SER 42 -14.529 -11.612 3.471 329 HB3 SER 42 2HB SER 42 -14.816 -11.039 5.114 330 HG SER 42 HG SER 42 -16.713 -9.929 4.126 331 H ILE 43 H ILE 43 -12.990 -10.348 5.733 332 HA ILE 43 HA ILE 43 -10.856 -11.027 6.165 333 HB ILE 43 HB ILE 43 -10.280 -10.434 3.256 334 HG12 ILE 43 1HG1 ILE 43 -10.807 -13.077 4.645 335 HG13 ILE 43 2HG1 ILE 43 -11.973 -12.219 3.643 336 HG21 ILE 43 1HG2 ILE 43 -8.256 -10.377 4.612 337 HG22 ILE 43 2HG2 ILE 43 -8.276 -11.805 3.578 338 HG23 ILE 43 3HG2 ILE 43 -8.653 -11.955 5.294 339 HD11 ILE 43 3HD1 ILE 43 -10.913 -14.042 2.432 340 HD12 ILE 43 1HD1 ILE 43 -9.330 -13.320 2.714 341 HD13 ILE 43 2HD1 ILE 43 -10.516 -12.484 1.711 342 H ILE 44 H ILE 44 -11.147 -8.109 4.209 343 HA ILE 44 HA ILE 44 -8.709 -6.942 5.118 344 HB ILE 44 HB ILE 44 -9.482 -4.924 3.959 345 HG12 ILE 44 1HG1 ILE 44 -11.724 -5.445 2.583 346 HG13 ILE 44 2HG1 ILE 44 -12.089 -6.365 4.037 347 HG21 ILE 44 1HG2 ILE 44 -9.714 -5.928 1.700 348 HG22 ILE 44 2HG2 ILE 44 -9.911 -7.508 2.467 349 HG23 ILE 44 3HG2 ILE 44 -8.398 -6.619 2.651 350 HD11 ILE 44 3HD1 ILE 44 -13.033 -4.150 4.181 351 HD12 ILE 44 1HD1 ILE 44 -11.448 -3.425 3.895 352 HD13 ILE 44 2HD1 ILE 44 -11.751 -4.335 5.378 353 H ASP 45 H ASP 45 -8.857 -4.574 6.033 354 HA ASP 45 HA ASP 45 -10.942 -4.212 7.997 355 HB2 ASP 45 1HB ASP 45 -9.433 -5.820 9.134 356 HB3 ASP 45 2HB ASP 45 -8.107 -4.676 8.948 Start of MODEL 6 1 H PHE 1 1H PHE 1 8.617 -12.131 2.011 2 HA PHE 1 HA PHE 1 6.452 -14.075 1.479 3 HB2 PHE 1 1HB PHE 1 7.509 -12.937 4.080 4 HB3 PHE 1 2HB PHE 1 6.127 -14.011 3.926 5 HD1 PHE 1 HD2 PHE 1 6.442 -16.360 3.318 6 HD2 PHE 1 HD1 PHE 1 9.748 -13.764 3.977 7 HE1 PHE 1 HE2 PHE 1 7.926 -18.309 3.535 8 HE2 PHE 1 HE1 PHE 1 11.235 -15.708 4.201 9 HZ PHE 1 HZ PHE 1 10.327 -17.982 3.979 10 H PHE 2 H PHE 2 7.267 -10.873 2.831 11 HA PHE 2 HA PHE 2 4.672 -10.045 3.381 12 HB2 PHE 2 1HB PHE 2 7.206 -8.551 2.810 13 HB3 PHE 2 2HB PHE 2 5.693 -7.680 3.031 14 HD1 PHE 2 HD1 PHE 2 4.405 -8.047 5.178 15 HD2 PHE 2 HD2 PHE 2 8.439 -9.289 4.650 16 HE1 PHE 2 HE1 PHE 2 4.683 -8.160 7.618 17 HE2 PHE 2 HE2 PHE 2 8.723 -9.410 7.090 18 HZ PHE 2 HZ PHE 2 6.843 -8.846 8.576 19 H ASP 3 H ASP 3 6.574 -9.274 0.429 20 HA ASP 3 HA ASP 3 4.108 -8.239 -0.701 21 HB2 ASP 3 1HB ASP 3 5.421 -7.378 -2.538 22 HB3 ASP 3 2HB ASP 3 6.093 -6.869 -0.998 23 H GLU 4 H GLU 4 5.293 -11.201 -0.432 24 HA GLU 4 HA GLU 4 4.407 -12.201 -2.990 25 HB2 GLU 4 1HB GLU 4 5.946 -13.504 -1.497 26 HB3 GLU 4 2HB GLU 4 4.632 -13.660 -0.340 27 HG2 GLU 4 1HG GLU 4 4.769 -15.685 -1.573 28 HG3 GLU 4 2HG GLU 4 3.317 -14.834 -2.092 29 H LYS 5 H LYS 5 3.159 -11.630 0.224 30 HA LYS 5 HA LYS 5 0.479 -12.405 -0.222 31 HB2 LYS 5 1HB LYS 5 1.629 -11.908 1.998 32 HB3 LYS 5 2HB LYS 5 1.442 -10.208 1.609 33 HG2 LYS 5 1HG LYS 5 -0.310 -10.837 3.090 34 HG3 LYS 5 2HG LYS 5 -1.015 -10.567 1.495 35 HD2 LYS 5 1HD LYS 5 -1.230 -12.888 1.095 36 HD3 LYS 5 2HD LYS 5 -0.202 -13.293 2.471 37 HE2 LYS 5 1HE LYS 5 -2.542 -13.709 2.987 38 HE3 LYS 5 2HE LYS 5 -1.896 -12.420 3.997 39 HZ1 LYS 5 3HZ LYS 5 -4.098 -11.893 3.159 40 HZ2 LYS 5 1HZ LYS 5 -3.552 -12.033 1.566 41 HZ3 LYS 5 2HZ LYS 5 -2.955 -10.803 2.561 42 H CYS 6 H CYS 6 2.274 -9.394 -0.636 43 HA CYS 6 HA CYS 6 0.167 -7.738 -1.469 44 HB2 CYS 6 1HB CYS 6 2.535 -7.039 -0.866 45 HB3 CYS 6 2HB CYS 6 3.035 -7.623 -2.446 46 HG CYS 6 HG CYS 6 1.420 -5.780 -3.848 47 H ASN 7 H ASN 7 2.347 -9.863 -3.243 48 HA ASN 7 HA ASN 7 1.409 -9.396 -5.848 49 HB2 ASN 7 1HB ASN 7 3.499 -10.556 -5.398 50 HB3 ASN 7 2HB ASN 7 2.641 -11.864 -4.608 51 HD21 ASN 7 1HD2 ASN 7 3.477 -13.392 -5.976 52 HD22 ASN 7 2HD2 ASN 7 2.969 -13.544 -7.625 53 H LYS 8 H LYS 8 0.588 -11.919 -3.516 54 HA LYS 8 HA LYS 8 -1.308 -13.328 -4.947 55 HB2 LYS 8 1HB LYS 8 -0.399 -13.996 -2.749 56 HB3 LYS 8 2HB LYS 8 -1.340 -12.726 -1.983 57 HG2 LYS 8 1HG LYS 8 -2.422 -14.863 -1.688 58 HG3 LYS 8 2HG LYS 8 -3.406 -13.826 -2.721 59 HD2 LYS 8 1HD LYS 8 -2.620 -14.987 -4.694 60 HD3 LYS 8 2HD LYS 8 -1.523 -15.963 -3.716 61 HE2 LYS 8 1HE LYS 8 -3.515 -17.231 -4.288 62 HE3 LYS 8 2HE LYS 8 -3.443 -16.942 -2.552 63 HZ1 LYS 8 3HZ LYS 8 -5.665 -16.585 -3.430 64 HZ2 LYS 8 1HZ LYS 8 -5.086 -15.401 -4.486 65 HZ3 LYS 8 2HZ LYS 8 -5.030 -15.145 -2.818 66 H LEU 9 H LEU 9 -1.798 -10.459 -2.917 67 HA LEU 9 HA LEU 9 -4.628 -10.402 -3.471 68 HB2 LEU 9 1HB LEU 9 -2.860 -8.374 -2.104 69 HB3 LEU 9 2HB LEU 9 -4.611 -8.348 -2.130 70 HG LEU 9 HG LEU 9 -2.945 -10.513 -0.850 71 HD11 LEU 9 1HD1 LEU 9 -2.712 -8.415 0.339 72 HD12 LEU 9 2HD1 LEU 9 -3.704 -9.540 1.265 73 HD13 LEU 9 3HD1 LEU 9 -4.464 -8.221 0.376 74 HD21 LEU 9 3HD2 LEU 9 -5.092 -11.340 -1.604 75 HD22 LEU 9 1HD2 LEU 9 -5.909 -9.983 -0.830 76 HD23 LEU 9 2HD2 LEU 9 -5.088 -11.192 0.153 77 H LYS 10 H LYS 10 -1.878 -9.410 -5.059 78 HA LYS 10 HA LYS 10 -1.403 -8.116 -6.831 79 HB2 LYS 10 1HB LYS 10 -4.385 -8.312 -7.172 80 HB3 LYS 10 2HB LYS 10 -3.379 -7.419 -8.302 81 HG2 LYS 10 1HG LYS 10 -3.004 -10.328 -7.620 82 HG3 LYS 10 2HG LYS 10 -3.875 -9.729 -9.035 83 HD2 LYS 10 1HD LYS 10 -1.866 -8.653 -9.854 84 HD3 LYS 10 2HD LYS 10 -0.983 -9.129 -8.407 85 HE2 LYS 10 1HE LYS 10 -2.216 -11.067 -10.353 86 HE3 LYS 10 2HE LYS 10 -0.531 -10.549 -10.405 87 HZ1 LYS 10 3HZ LYS 10 -0.243 -11.454 -8.169 88 HZ2 LYS 10 1HZ LYS 10 -0.750 -12.646 -9.256 89 HZ3 LYS 10 2HZ LYS 10 -1.848 -11.980 -8.161 90 H GLY 11 H GLY 11 -1.446 -6.918 -4.388 91 HA2 GLY 11 1HA GLY 11 -2.478 -4.216 -4.914 92 HA3 GLY 11 2HA GLY 11 -1.858 -4.801 -3.371 93 H THR 12 H THR 12 -0.794 -2.504 -3.961 94 HA THR 12 HA THR 12 1.820 -3.168 -5.123 95 HB THR 12 HB THR 12 0.646 -1.946 -6.839 96 HG1 THR 12 HG1 THR 12 2.689 -1.293 -6.971 97 HG21 THR 12 1HG2 THR 12 -0.122 0.359 -6.465 98 HG22 THR 12 2HG2 THR 12 0.269 0.189 -4.754 99 HG23 THR 12 3HG2 THR 12 -1.000 -0.803 -5.472 100 H CYS 13 H CYS 13 3.544 -1.857 -4.439 101 HA CYS 13 HA CYS 13 3.232 -1.034 -1.660 102 HB2 CYS 13 1HB CYS 13 5.852 -1.039 -3.146 103 HB3 CYS 13 2HB CYS 13 5.550 -1.261 -1.428 104 HG CYS 13 HG CYS 13 4.778 -3.560 -3.844 105 H LYS 14 H LYS 14 2.643 0.974 -1.344 106 HA LYS 14 HA LYS 14 3.894 3.082 -2.963 107 HB2 LYS 14 1HB LYS 14 1.775 4.356 -2.827 108 HB3 LYS 14 2HB LYS 14 1.616 2.860 -3.738 109 HG2 LYS 14 1HG LYS 14 0.602 1.782 -1.798 110 HG3 LYS 14 2HG LYS 14 0.761 3.282 -0.883 111 HD2 LYS 14 1HD LYS 14 -1.495 3.076 -1.717 112 HD3 LYS 14 2HD LYS 14 -0.678 4.409 -2.539 113 HE2 LYS 14 1HE LYS 14 -0.282 2.993 -4.475 114 HE3 LYS 14 2HE LYS 14 -1.013 1.620 -3.645 115 HZ1 LYS 14 3HZ LYS 14 -2.567 2.633 -5.170 116 HZ2 LYS 14 1HZ LYS 14 -2.398 4.131 -4.405 117 HZ3 LYS 14 2HZ LYS 14 -3.109 2.834 -3.577 118 H ASN 15 H ASN 15 3.690 5.257 -1.822 119 HA ASN 15 HA ASN 15 4.811 4.901 0.785 120 HB2 ASN 15 1HB ASN 15 4.194 7.348 -0.864 121 HB3 ASN 15 2HB ASN 15 4.996 7.405 0.696 122 HD21 ASN 15 1HD2 ASN 15 7.090 6.572 0.887 123 HD22 ASN 15 2HD2 ASN 15 8.092 6.318 -0.499 124 H ASN 16 H ASN 16 1.942 6.574 -0.487 125 HA ASN 16 HA ASN 16 0.731 6.393 2.201 126 HB2 ASN 16 1HB ASN 16 0.208 8.461 0.049 127 HB3 ASN 16 2HB ASN 16 -0.550 8.411 1.636 128 HD21 ASN 16 1HD2 ASN 16 2.454 8.895 -0.079 129 HD22 ASN 16 2HD2 ASN 16 3.241 9.806 1.164 130 H CYS 17 H CYS 17 -1.271 5.453 2.335 131 HA CYS 17 HA CYS 17 -2.112 3.836 0.153 132 HB2 CYS 17 1HB CYS 17 -3.660 4.457 2.675 133 HB3 CYS 17 2HB CYS 17 -3.859 3.061 1.625 134 HG CYS 17 HG CYS 17 -1.044 2.339 2.229 135 H GLY 18 H GLY 18 -3.719 4.090 -1.282 136 HA2 GLY 18 1HA GLY 18 -4.726 6.806 -1.612 137 HA3 GLY 18 2HA GLY 18 -4.816 5.504 -2.788 138 H LYS 19 H LYS 19 -7.029 6.140 -3.123 139 HA LYS 19 HA LYS 19 -8.941 6.190 -1.076 140 HB2 LYS 19 1HB LYS 19 -10.621 6.025 -2.875 141 HB3 LYS 19 2HB LYS 19 -9.398 7.237 -3.204 142 HG2 LYS 19 1HG LYS 19 -9.569 6.262 -5.256 143 HG3 LYS 19 2HG LYS 19 -8.280 5.282 -4.562 144 HD2 LYS 19 1HD LYS 19 -9.896 3.554 -3.961 145 HD3 LYS 19 2HD LYS 19 -11.208 4.549 -4.602 146 HE2 LYS 19 1HE LYS 19 -10.167 4.444 -6.829 147 HE3 LYS 19 2HE LYS 19 -8.902 3.407 -6.174 148 HZ1 LYS 19 3HZ LYS 19 -11.797 2.782 -6.346 149 HZ2 LYS 19 1HZ LYS 19 -10.659 1.809 -5.560 150 HZ3 LYS 19 2HZ LYS 19 -10.548 2.059 -7.227 151 H ASN 20 H ASN 20 -10.077 4.705 -0.064 152 HA ASN 20 HA ASN 20 -10.708 2.682 0.752 153 HB2 ASN 20 1HB ASN 20 -10.919 2.115 -2.209 154 HB3 ASN 20 2HB ASN 20 -11.539 1.044 -0.958 155 HD21 ASN 20 1HD2 ASN 20 -13.331 1.664 0.237 156 HD22 ASN 20 2HD2 ASN 20 -14.375 2.945 -0.274 157 H GLU 21 H GLU 21 -8.088 2.859 1.053 158 HA GLU 21 HA GLU 21 -7.157 0.172 0.344 159 HB2 GLU 21 1HB GLU 21 -5.669 2.766 0.019 160 HB3 GLU 21 2HB GLU 21 -4.808 1.247 0.218 161 HG2 GLU 21 1HG GLU 21 -5.931 0.356 -1.752 162 HG3 GLU 21 2HG GLU 21 -6.795 1.876 -1.952 163 H GLU 22 H GLU 22 -5.441 -0.633 1.705 164 HA GLU 22 HA GLU 22 -5.124 0.721 4.276 165 HB2 GLU 22 1HB GLU 22 -5.729 -1.199 5.568 166 HB3 GLU 22 2HB GLU 22 -7.052 -0.875 4.458 167 HG2 GLU 22 1HG GLU 22 -6.253 -2.656 2.988 168 HG3 GLU 22 2HG GLU 22 -4.927 -2.974 4.104 169 H LEU 23 H LEU 23 -3.364 -0.158 5.543 170 HA LEU 23 HA LEU 23 -1.124 -0.901 3.884 171 HB2 LEU 23 1HB LEU 23 -1.284 0.639 6.044 172 HB3 LEU 23 2HB LEU 23 -1.016 -0.875 6.860 173 HG LEU 23 HG LEU 23 0.856 0.268 4.796 174 HD11 LEU 23 1HD1 LEU 23 0.947 0.402 7.808 175 HD12 LEU 23 2HD1 LEU 23 0.772 1.760 6.696 176 HD13 LEU 23 3HD1 LEU 23 2.275 0.841 6.736 177 HD21 LEU 23 3HD2 LEU 23 0.982 -2.140 5.065 178 HD22 LEU 23 1HD2 LEU 23 1.145 -1.945 6.808 179 HD23 LEU 23 2HD2 LEU 23 2.415 -1.358 5.734 180 H ILE 24 H ILE 24 -0.602 -2.922 3.446 181 HA ILE 24 HA ILE 24 -1.747 -5.066 5.103 182 HB ILE 24 HB ILE 24 -2.171 -6.315 3.246 183 HG12 ILE 24 1HG1 ILE 24 -0.169 -4.996 1.463 184 HG13 ILE 24 2HG1 ILE 24 0.424 -6.101 2.699 185 HG21 ILE 24 1HG2 ILE 24 -1.964 -3.539 2.102 186 HG22 ILE 24 2HG2 ILE 24 -3.367 -4.262 2.890 187 HG23 ILE 24 3HG2 ILE 24 -2.802 -4.887 1.339 188 HD11 ILE 24 3HD1 ILE 24 0.147 -7.315 0.695 189 HD12 ILE 24 1HD1 ILE 24 -1.495 -6.702 0.484 190 HD13 ILE 24 2HD1 ILE 24 -1.129 -7.802 1.811 191 H ALA 25 H ALA 25 1.215 -3.882 3.623 192 HA ALA 25 HA ALA 25 2.822 -5.573 5.335 193 HB1 ALA 25 3HB ALA 25 3.991 -6.732 3.565 194 HB2 ALA 25 1HB ALA 25 3.019 -5.917 2.341 195 HB3 ALA 25 2HB ALA 25 2.265 -7.072 3.439 196 H LEU 26 H LEU 26 5.166 -5.187 4.926 197 HA LEU 26 HA LEU 26 5.540 -2.342 4.298 198 HB2 LEU 26 1HB LEU 26 6.893 -4.195 6.235 199 HB3 LEU 26 2HB LEU 26 7.576 -2.633 5.815 200 HG LEU 26 HG LEU 26 4.890 -3.092 7.126 201 HD11 LEU 26 1HD1 LEU 26 6.776 -3.591 8.599 202 HD12 LEU 26 2HD1 LEU 26 5.921 -2.136 9.109 203 HD13 LEU 26 3HD1 LEU 26 7.462 -2.002 8.261 204 HD21 LEU 26 3HD2 LEU 26 4.842 -1.100 5.747 205 HD22 LEU 26 1HD2 LEU 26 6.355 -0.540 6.460 206 HD23 LEU 26 2HD2 LEU 26 4.901 -0.648 7.449 207 H CYS 27 H CYS 27 7.526 -1.706 3.304 208 HA CYS 27 HA CYS 27 9.127 -3.782 2.035 209 HB2 CYS 27 1HB CYS 27 7.445 -1.767 0.558 210 HB3 CYS 27 2HB CYS 27 8.853 -2.509 -0.187 211 HG CYS 27 HG CYS 27 6.628 -4.635 1.179 212 H GLN 28 H GLN 28 10.882 -2.620 0.613 213 HA GLN 28 HA GLN 28 12.333 -0.879 2.334 214 HB2 GLN 28 1HB GLN 28 12.849 -1.542 -0.557 215 HB3 GLN 28 2HB GLN 28 13.989 -0.789 0.537 216 HG2 GLN 28 1HG GLN 28 12.851 -3.548 0.884 217 HG3 GLN 28 2HG GLN 28 14.416 -3.186 0.166 218 HE21 GLN 28 1HE2 GLN 28 14.962 -1.005 2.027 219 HE22 GLN 28 2HE2 GLN 28 15.349 -1.749 3.540 220 H LYS 29 H LYS 29 13.358 1.150 1.376 221 HA LYS 29 HA LYS 29 13.189 3.302 0.656 222 HB2 LYS 29 1HB LYS 29 11.059 2.199 -1.170 223 HB3 LYS 29 2HB LYS 29 11.797 3.785 -1.319 224 HG2 LYS 29 1HG LYS 29 13.936 2.772 -1.817 225 HG3 LYS 29 2HG LYS 29 13.261 1.163 -1.557 226 HD2 LYS 29 1HD LYS 29 12.399 3.119 -3.691 227 HD3 LYS 29 2HD LYS 29 13.413 1.697 -3.944 228 HE2 LYS 29 1HE LYS 29 11.562 0.266 -3.179 229 HE3 LYS 29 2HE LYS 29 10.553 1.696 -2.973 230 HZ1 LYS 29 3HZ LYS 29 11.718 0.773 -5.544 231 HZ2 LYS 29 1HZ LYS 29 10.731 2.131 -5.335 232 HZ3 LYS 29 2HZ LYS 29 10.107 0.584 -5.069 233 H SER 30 H SER 30 11.168 1.919 2.570 234 HA SER 30 HA SER 30 9.569 2.565 4.026 235 HB2 SER 30 1HB SER 30 10.800 4.795 3.942 236 HB3 SER 30 2HB SER 30 9.585 5.318 2.780 237 HG SER 30 HG SER 30 8.949 4.299 5.354 238 H LEU 31 H LEU 31 9.094 1.715 1.135 239 HA LEU 31 HA LEU 31 6.434 2.699 0.613 240 HB2 LEU 31 1HB LEU 31 8.176 0.573 -0.613 241 HB3 LEU 31 2HB LEU 31 6.495 0.714 -1.049 242 HG LEU 31 HG LEU 31 8.249 1.818 -2.562 243 HD11 LEU 31 1HD1 LEU 31 6.747 3.612 -3.148 244 HD12 LEU 31 2HD1 LEU 31 5.961 3.508 -1.573 245 HD13 LEU 31 3HD1 LEU 31 5.817 2.174 -2.723 246 HD21 LEU 31 3HD2 LEU 31 9.439 2.956 -0.684 247 HD22 LEU 31 1HD2 LEU 31 8.051 4.028 -0.544 248 HD23 LEU 31 2HD2 LEU 31 8.997 4.001 -2.033 249 H LYS 32 H LYS 32 4.508 1.578 0.921 250 HA LYS 32 HA LYS 32 4.700 -0.902 2.509 251 HB2 LYS 32 1HB LYS 32 2.583 1.243 2.796 252 HB3 LYS 32 2HB LYS 32 2.663 -0.257 3.702 253 HG2 LYS 32 1HG LYS 32 3.520 1.214 5.220 254 HG3 LYS 32 2HG LYS 32 4.998 0.659 4.435 255 HD2 LYS 32 1HD LYS 32 5.023 2.625 3.020 256 HD3 LYS 32 2HD LYS 32 3.491 3.168 3.707 257 HE2 LYS 32 1HE LYS 32 4.527 3.409 5.887 258 HE3 LYS 32 2HE LYS 32 6.052 2.790 5.252 259 HZ1 LYS 32 3HZ LYS 32 6.036 5.208 5.396 260 HZ2 LYS 32 1HZ LYS 32 4.707 5.279 4.352 261 HZ3 LYS 32 2HZ LYS 32 6.195 4.694 3.792 262 H CYS 33 H CYS 33 3.332 -2.550 1.935 263 HA CYS 33 HA CYS 33 2.176 -2.424 -0.675 264 HB2 CYS 33 1HB CYS 33 1.948 -4.539 1.472 265 HB3 CYS 33 2HB CYS 33 1.470 -4.731 -0.206 266 HG CYS 33 HG CYS 33 4.206 -4.197 -1.061 267 H CYS 34 H CYS 34 0.329 -1.422 -1.044 268 HA CYS 34 HA CYS 34 -1.722 -1.471 1.062 269 HB2 CYS 34 1HB CYS 34 -1.349 0.565 -1.145 270 HB3 CYS 34 2HB CYS 34 -2.560 0.626 0.132 271 HG CYS 34 HG CYS 34 0.802 0.706 0.756 272 H ARG 35 H ARG 35 -3.602 -2.396 0.621 273 HA ARG 35 HA ARG 35 -4.027 -3.329 -2.136 274 HB2 ARG 35 1HB ARG 35 -5.380 -5.109 -1.252 275 HB3 ARG 35 2HB ARG 35 -3.871 -5.080 -0.359 276 HG2 ARG 35 1HG ARG 35 -5.183 -3.669 1.364 277 HG3 ARG 35 2HG ARG 35 -6.613 -4.299 0.544 278 HD2 ARG 35 1HD ARG 35 -5.633 -6.612 0.915 279 HD3 ARG 35 2HD ARG 35 -4.451 -5.846 1.956 280 HE ARG 35 HE ARG 35 -6.933 -5.013 2.858 281 HH11 ARG 35 1HH1 ARG 35 -5.210 -8.043 2.518 282 HH12 ARG 35 2HH1 ARG 35 -5.964 -8.770 3.895 283 HH21 ARG 35 1HH2 ARG 35 -7.905 -5.947 4.673 284 HH22 ARG 35 2HH2 ARG 35 -7.498 -7.574 5.134 285 H THR 36 H THR 36 -5.787 -2.745 -3.245 286 HA THR 36 HA THR 36 -7.455 -0.665 -2.103 287 HB THR 36 HB THR 36 -7.676 -1.777 -4.897 288 HG1 THR 36 HG1 THR 36 -5.902 0.247 -3.916 289 HG21 THR 36 1HG2 THR 36 -8.524 0.446 -5.416 290 HG22 THR 36 2HG2 THR 36 -8.237 0.969 -3.758 291 HG23 THR 36 3HG2 THR 36 -9.455 -0.258 -4.097 292 H ILE 37 H ILE 37 -9.280 -1.078 -1.164 293 HA ILE 37 HA ILE 37 -10.233 -3.688 -0.792 294 HB ILE 37 HB ILE 37 -11.627 -1.072 -0.239 295 HG12 ILE 37 1HG1 ILE 37 -9.480 -1.048 0.816 296 HG13 ILE 37 2HG1 ILE 37 -10.652 -1.442 2.059 297 HG21 ILE 37 1HG2 ILE 37 -12.040 -3.806 0.957 298 HG22 ILE 37 2HG2 ILE 37 -13.143 -2.982 -0.143 299 HG23 ILE 37 3HG2 ILE 37 -12.849 -2.325 1.467 300 HD11 ILE 37 3HD1 ILE 37 -8.828 -3.366 0.650 301 HD12 ILE 37 1HD1 ILE 37 -10.060 -3.819 1.824 302 HD13 ILE 37 2HD1 ILE 37 -8.700 -2.813 2.320 303 H GLN 38 H GLN 38 -10.793 -4.716 -2.579 304 HA GLN 38 HA GLN 38 -12.902 -3.808 -4.324 305 HB2 GLN 38 1HB GLN 38 -11.442 -6.439 -3.974 306 HB3 GLN 38 2HB GLN 38 -12.708 -6.210 -5.163 307 HG2 GLN 38 1HG GLN 38 -11.396 -4.464 -6.239 308 HG3 GLN 38 2HG GLN 38 -10.129 -4.671 -5.033 309 HE21 GLN 38 1HE2 GLN 38 -10.103 -4.979 -7.957 310 HE22 GLN 38 2HE2 GLN 38 -9.514 -6.577 -8.249 311 HA PRO 39 HA PRO 39 -16.662 -5.522 -2.424 312 HB2 PRO 39 1HB PRO 39 -16.129 -8.025 -4.003 313 HB3 PRO 39 2HB PRO 39 -17.673 -7.237 -3.655 314 HG2 PRO 39 1HG PRO 39 -16.485 -6.847 -5.994 315 HG3 PRO 39 2HG PRO 39 -17.276 -5.501 -5.155 316 HD2 PRO 39 1HD PRO 39 -14.403 -6.040 -5.555 317 HD3 PRO 39 2HD PRO 39 -15.226 -4.499 -5.274 318 H SER 40 H SER 40 -17.209 -6.795 -0.654 319 HA SER 40 HA SER 40 -15.092 -7.251 1.074 320 HB2 SER 40 1HB SER 40 -17.372 -6.664 1.796 321 HB3 SER 40 2HB SER 40 -17.924 -8.274 1.336 322 HG SER 40 HG SER 40 -15.747 -8.254 3.027 323 H GLY 41 H GLY 41 -16.497 -9.457 -1.174 324 HA2 GLY 41 1HA GLY 41 -15.525 -11.824 0.149 325 HA3 GLY 41 2HA GLY 41 -16.163 -11.733 -1.487 326 H SER 42 H SER 42 -13.489 -12.403 0.250 327 HA SER 42 HA SER 42 -11.332 -12.842 -0.280 328 HB2 SER 42 1HB SER 42 -12.037 -11.903 -3.070 329 HB3 SER 42 2HB SER 42 -10.577 -12.777 -2.608 330 HG SER 42 HG SER 42 -12.674 -14.141 -1.704 331 H ILE 43 H ILE 43 -9.264 -11.728 -0.899 332 HA ILE 43 HA ILE 43 -7.810 -10.000 -0.749 333 HB ILE 43 HB ILE 43 -10.170 -8.255 -1.460 334 HG12 ILE 43 1HG1 ILE 43 -9.565 -9.888 -3.203 335 HG13 ILE 43 2HG1 ILE 43 -9.209 -8.240 -3.710 336 HG21 ILE 43 1HG2 ILE 43 -8.453 -6.964 -0.313 337 HG22 ILE 43 2HG2 ILE 43 -8.512 -6.539 -2.023 338 HG23 ILE 43 3HG2 ILE 43 -7.229 -7.586 -1.418 339 HD11 ILE 43 3HD1 ILE 43 -7.227 -10.273 -2.717 340 HD12 ILE 43 1HD1 ILE 43 -6.847 -8.605 -3.141 341 HD13 ILE 43 2HD1 ILE 43 -7.432 -9.718 -4.376 342 H ILE 44 H ILE 44 -10.731 -8.389 0.474 343 HA ILE 44 HA ILE 44 -9.282 -7.793 2.951 344 HB ILE 44 HB ILE 44 -10.150 -5.821 1.954 345 HG12 ILE 44 1HG1 ILE 44 -12.009 -6.672 4.184 346 HG13 ILE 44 2HG1 ILE 44 -10.448 -5.881 4.368 347 HG21 ILE 44 1HG2 ILE 44 -11.695 -6.599 0.377 348 HG22 ILE 44 2HG2 ILE 44 -12.631 -5.593 1.484 349 HG23 ILE 44 3HG2 ILE 44 -12.708 -7.350 1.613 350 HD11 ILE 44 3HD1 ILE 44 -12.287 -4.328 4.705 351 HD12 ILE 44 1HD1 ILE 44 -12.888 -4.677 3.085 352 HD13 ILE 44 2HD1 ILE 44 -11.330 -3.876 3.293 353 H ASP 45 H ASP 45 -10.200 -8.254 4.980 354 HA ASP 45 HA ASP 45 -11.302 -9.467 6.538 355 HB2 ASP 45 1HB ASP 45 -13.386 -8.566 5.606 356 HB3 ASP 45 2HB ASP 45 -13.413 -9.849 4.400 Start of MODEL 7 1 H PHE 1 1H PHE 1 7.327 -13.336 0.952 2 HA PHE 1 HA PHE 1 5.537 -14.875 1.276 3 HB2 PHE 1 1HB PHE 1 6.173 -15.768 3.443 4 HB3 PHE 1 2HB PHE 1 5.915 -14.202 4.200 5 HD1 PHE 1 HD2 PHE 1 4.011 -16.601 2.064 6 HD2 PHE 1 HD1 PHE 1 3.982 -13.952 5.393 7 HE1 PHE 1 HE2 PHE 1 1.671 -17.209 2.520 8 HE2 PHE 1 HE1 PHE 1 1.642 -14.555 5.856 9 HZ PHE 1 HZ PHE 1 0.485 -16.184 4.421 10 H PHE 2 H PHE 2 6.049 -11.860 3.087 11 HA PHE 2 HA PHE 2 3.410 -10.992 3.135 12 HB2 PHE 2 1HB PHE 2 5.960 -9.380 3.072 13 HB3 PHE 2 2HB PHE 2 4.372 -8.690 3.383 14 HD1 PHE 2 HD1 PHE 2 3.026 -9.918 5.305 15 HD2 PHE 2 HD2 PHE 2 7.258 -9.961 4.870 16 HE1 PHE 2 HE1 PHE 2 3.261 -10.438 7.698 17 HE2 PHE 2 HE2 PHE 2 7.503 -10.486 7.260 18 HZ PHE 2 HZ PHE 2 5.501 -10.726 8.678 19 H ASP 3 H ASP 3 5.861 -10.531 0.591 20 HA ASP 3 HA ASP 3 3.851 -9.063 -0.915 21 HB2 ASP 3 1HB ASP 3 5.559 -8.424 -2.471 22 HB3 ASP 3 2HB ASP 3 6.099 -8.092 -0.836 23 H GLU 4 H GLU 4 4.537 -12.208 -0.530 24 HA GLU 4 HA GLU 4 3.904 -13.065 -3.202 25 HB2 GLU 4 1HB GLU 4 3.448 -14.474 -0.551 26 HB3 GLU 4 2HB GLU 4 3.211 -15.204 -2.131 27 HG2 GLU 4 1HG GLU 4 5.789 -14.317 -0.882 28 HG3 GLU 4 2HG GLU 4 5.295 -15.955 -1.300 29 H LYS 5 H LYS 5 2.219 -12.328 -0.228 30 HA LYS 5 HA LYS 5 -0.418 -12.545 -1.149 31 HB2 LYS 5 1HB LYS 5 0.268 -12.306 1.236 32 HB3 LYS 5 2HB LYS 5 0.695 -10.635 0.912 33 HG2 LYS 5 1HG LYS 5 -1.451 -10.702 1.968 34 HG3 LYS 5 2HG LYS 5 -1.661 -10.199 0.289 35 HD2 LYS 5 1HD LYS 5 -2.312 -12.472 -0.318 36 HD3 LYS 5 2HD LYS 5 -2.082 -12.991 1.352 37 HE2 LYS 5 1HE LYS 5 -3.830 -11.415 2.064 38 HE3 LYS 5 2HE LYS 5 -4.077 -10.950 0.381 39 HZ1 LYS 5 3HZ LYS 5 -4.695 -13.246 -0.106 40 HZ2 LYS 5 1HZ LYS 5 -5.713 -12.566 1.061 41 HZ3 LYS 5 2HZ LYS 5 -4.506 -13.656 1.522 42 H CYS 6 H CYS 6 1.881 -9.841 -1.108 43 HA CYS 6 HA CYS 6 0.267 -7.827 -2.121 44 HB2 CYS 6 1HB CYS 6 2.585 -7.510 -1.268 45 HB3 CYS 6 2HB CYS 6 3.205 -8.292 -2.718 46 HG CYS 6 HG CYS 6 2.478 -6.307 -4.463 47 H ASN 7 H ASN 7 2.084 -10.321 -3.830 48 HA ASN 7 HA ASN 7 1.667 -9.387 -6.449 49 HB2 ASN 7 1HB ASN 7 3.378 -11.046 -5.826 50 HB3 ASN 7 2HB ASN 7 2.116 -12.216 -5.485 51 HD21 ASN 7 1HD2 ASN 7 2.958 -13.637 -6.997 52 HD22 ASN 7 2HD2 ASN 7 2.775 -13.385 -8.699 53 H LYS 8 H LYS 8 0.017 -12.000 -4.684 54 HA LYS 8 HA LYS 8 -1.832 -12.521 -6.744 55 HB2 LYS 8 1HB LYS 8 -1.912 -13.214 -3.809 56 HB3 LYS 8 2HB LYS 8 -2.922 -13.921 -5.049 57 HG2 LYS 8 1HG LYS 8 0.066 -14.142 -4.861 58 HG3 LYS 8 2HG LYS 8 -1.107 -15.413 -4.514 59 HD2 LYS 8 1HD LYS 8 -1.854 -15.358 -6.844 60 HD3 LYS 8 2HD LYS 8 -0.684 -14.084 -7.190 61 HE2 LYS 8 1HE LYS 8 1.132 -15.616 -6.557 62 HE3 LYS 8 2HE LYS 8 -0.055 -16.890 -6.285 63 HZ1 LYS 8 3HZ LYS 8 0.393 -15.516 -8.879 64 HZ2 LYS 8 1HZ LYS 8 -0.662 -16.809 -8.597 65 HZ3 LYS 8 2HZ LYS 8 1.009 -17.036 -8.469 66 H LEU 9 H LEU 9 -1.938 -10.472 -3.892 67 HA LEU 9 HA LEU 9 -4.752 -9.933 -4.146 68 HB2 LEU 9 1HB LEU 9 -3.735 -10.104 -1.988 69 HB3 LEU 9 2HB LEU 9 -2.542 -8.895 -2.398 70 HG LEU 9 HG LEU 9 -4.403 -7.218 -2.501 71 HD11 LEU 9 1HD1 LEU 9 -6.494 -7.784 -1.380 72 HD12 LEU 9 2HD1 LEU 9 -5.964 -9.458 -1.218 73 HD13 LEU 9 3HD1 LEU 9 -6.262 -8.779 -2.817 74 HD21 LEU 9 3HD2 LEU 9 -2.839 -7.576 -0.625 75 HD22 LEU 9 1HD2 LEU 9 -4.021 -8.652 0.112 76 HD23 LEU 9 2HD2 LEU 9 -4.410 -6.946 -0.120 77 H LYS 10 H LYS 10 -1.984 -8.796 -5.653 78 HA LYS 10 HA LYS 10 -1.610 -7.164 -7.181 79 HB2 LYS 10 1HB LYS 10 -4.552 -6.569 -6.869 80 HB3 LYS 10 2HB LYS 10 -3.505 -5.868 -8.095 81 HG2 LYS 10 1HG LYS 10 -3.025 -8.233 -8.847 82 HG3 LYS 10 2HG LYS 10 -4.361 -8.728 -7.804 83 HD2 LYS 10 1HD LYS 10 -5.849 -7.196 -9.025 84 HD3 LYS 10 2HD LYS 10 -4.503 -6.771 -10.084 85 HE2 LYS 10 1HE LYS 10 -5.705 -9.519 -9.765 86 HE3 LYS 10 2HE LYS 10 -5.972 -8.430 -11.122 87 HZ1 LYS 10 3HZ LYS 10 -3.363 -9.614 -10.340 88 HZ2 LYS 10 1HZ LYS 10 -3.615 -8.565 -11.642 89 HZ3 LYS 10 2HZ LYS 10 -4.318 -10.102 -11.644 90 H GLY 11 H GLY 11 -1.224 -6.740 -4.386 91 HA2 GLY 11 1HA GLY 11 -1.976 -4.052 -3.731 92 HA3 GLY 11 2HA GLY 11 -0.815 -5.052 -2.866 93 H THR 12 H THR 12 -0.483 -2.287 -3.438 94 HA THR 12 HA THR 12 1.842 -2.443 -5.242 95 HB THR 12 HB THR 12 0.244 0.072 -4.901 96 HG1 THR 12 HG1 THR 12 -0.653 -2.156 -6.029 97 HG21 THR 12 1HG2 THR 12 2.035 -0.931 -7.115 98 HG22 THR 12 2HG2 THR 12 2.480 0.256 -5.887 99 HG23 THR 12 3HG2 THR 12 1.228 0.637 -7.071 100 H CYS 13 H CYS 13 3.673 -1.384 -4.582 101 HA CYS 13 HA CYS 13 3.797 -0.747 -1.760 102 HB2 CYS 13 1HB CYS 13 6.122 -0.431 -3.634 103 HB3 CYS 13 2HB CYS 13 6.116 -0.899 -1.942 104 HG CYS 13 HG CYS 13 5.799 -3.470 -2.247 105 H LYS 14 H LYS 14 2.992 1.175 -1.269 106 HA LYS 14 HA LYS 14 4.032 3.527 -2.687 107 HB2 LYS 14 1HB LYS 14 1.777 4.580 -2.458 108 HB3 LYS 14 2HB LYS 14 1.806 3.209 -3.560 109 HG2 LYS 14 1HG LYS 14 0.890 1.781 -1.792 110 HG3 LYS 14 2HG LYS 14 0.835 3.172 -0.710 111 HD2 LYS 14 1HD LYS 14 -1.360 2.785 -1.630 112 HD3 LYS 14 2HD LYS 14 -0.709 4.288 -2.285 113 HE2 LYS 14 1HE LYS 14 -0.237 1.797 -3.825 114 HE3 LYS 14 2HE LYS 14 -1.875 2.442 -3.810 115 HZ1 LYS 14 3HZ LYS 14 -1.078 4.505 -4.684 116 HZ2 LYS 14 1HZ LYS 14 -0.506 3.260 -5.671 117 HZ3 LYS 14 2HZ LYS 14 0.530 4.008 -4.566 118 H ASN 15 H ASN 15 3.706 5.544 -1.337 119 HA ASN 15 HA ASN 15 4.496 4.941 1.369 120 HB2 ASN 15 1HB ASN 15 4.314 7.475 -0.240 121 HB3 ASN 15 2HB ASN 15 4.625 7.508 1.485 122 HD21 ASN 15 1HD2 ASN 15 6.584 6.716 2.273 123 HD22 ASN 15 2HD2 ASN 15 7.942 6.440 1.236 124 H ASN 16 H ASN 16 1.826 6.569 -0.274 125 HA ASN 16 HA ASN 16 0.322 6.561 2.269 126 HB2 ASN 16 1HB ASN 16 -0.067 8.430 -0.080 127 HB3 ASN 16 2HB ASN 16 -0.861 8.526 1.488 128 HD21 ASN 16 1HD2 ASN 16 2.140 8.919 -0.231 129 HD22 ASN 16 2HD2 ASN 16 2.911 9.933 0.945 130 H CYS 17 H CYS 17 -1.636 5.554 2.264 131 HA CYS 17 HA CYS 17 -2.318 3.889 0.053 132 HB2 CYS 17 1HB CYS 17 -4.063 4.547 2.429 133 HB3 CYS 17 2HB CYS 17 -4.145 3.122 1.406 134 HG CYS 17 HG CYS 17 -1.368 2.493 2.286 135 H GLY 18 H GLY 18 -3.948 4.075 -1.423 136 HA2 GLY 18 1HA GLY 18 -4.995 6.777 -1.810 137 HA3 GLY 18 2HA GLY 18 -5.000 5.475 -2.992 138 H LYS 19 H LYS 19 -7.211 6.024 -3.389 139 HA LYS 19 HA LYS 19 -9.252 6.031 -1.521 140 HB2 LYS 19 1HB LYS 19 -10.737 5.404 -3.471 141 HB3 LYS 19 2HB LYS 19 -9.740 6.832 -3.692 142 HG2 LYS 19 1HG LYS 19 -9.406 5.834 -5.701 143 HG3 LYS 19 2HG LYS 19 -8.098 5.075 -4.798 144 HD2 LYS 19 1HD LYS 19 -9.608 3.147 -4.351 145 HD3 LYS 19 2HD LYS 19 -10.811 3.903 -5.400 146 HE2 LYS 19 1HE LYS 19 -8.034 3.046 -6.208 147 HE3 LYS 19 2HE LYS 19 -9.530 2.200 -6.596 148 HZ1 LYS 19 3HZ LYS 19 -8.809 4.939 -7.493 149 HZ2 LYS 19 1HZ LYS 19 -10.249 4.132 -7.860 150 HZ3 LYS 19 2HZ LYS 19 -8.778 3.546 -8.448 151 H ASN 20 H ASN 20 -10.100 4.569 -0.264 152 HA ASN 20 HA ASN 20 -10.707 2.596 0.679 153 HB2 ASN 20 1HB ASN 20 -10.903 1.806 -2.232 154 HB3 ASN 20 2HB ASN 20 -11.477 0.802 -0.907 155 HD21 ASN 20 1HD2 ASN 20 -13.334 1.368 0.181 156 HD22 ASN 20 2HD2 ASN 20 -14.413 2.592 -0.395 157 H GLU 21 H GLU 21 -7.927 2.988 0.599 158 HA GLU 21 HA GLU 21 -7.030 0.202 0.266 159 HB2 GLU 21 1HB GLU 21 -5.502 2.758 -0.230 160 HB3 GLU 21 2HB GLU 21 -4.715 1.194 -0.075 161 HG2 GLU 21 1HG GLU 21 -6.146 0.394 -1.966 162 HG3 GLU 21 2HG GLU 21 -6.685 2.058 -2.175 163 H GLU 22 H GLU 22 -5.207 -0.418 1.656 164 HA GLU 22 HA GLU 22 -4.792 1.211 4.029 165 HB2 GLU 22 1HB GLU 22 -5.482 -0.397 5.620 166 HB3 GLU 22 2HB GLU 22 -6.796 -0.290 4.459 167 HG2 GLU 22 1HG GLU 22 -5.975 -2.325 3.365 168 HG3 GLU 22 2HG GLU 22 -4.693 -2.437 4.569 169 H LEU 23 H LEU 23 -3.061 0.374 5.388 170 HA LEU 23 HA LEU 23 -0.867 -0.636 3.840 171 HB2 LEU 23 1HB LEU 23 -1.009 1.022 5.928 172 HB3 LEU 23 2HB LEU 23 -0.797 -0.461 6.814 173 HG LEU 23 HG LEU 23 1.131 0.551 4.728 174 HD11 LEU 23 1HD1 LEU 23 2.543 1.138 6.662 175 HD12 LEU 23 2HD1 LEU 23 1.198 0.758 7.736 176 HD13 LEU 23 3HD1 LEU 23 1.062 2.093 6.591 177 HD21 LEU 23 3HD2 LEU 23 2.624 -1.102 5.707 178 HD22 LEU 23 1HD2 LEU 23 1.163 -1.858 5.072 179 HD23 LEU 23 2HD2 LEU 23 1.342 -1.610 6.806 180 H ILE 24 H ILE 24 -0.407 -2.727 3.560 181 HA ILE 24 HA ILE 24 -1.660 -4.691 5.363 182 HB ILE 24 HB ILE 24 -2.171 -6.035 3.613 183 HG12 ILE 24 1HG1 ILE 24 -0.051 -5.052 1.754 184 HG13 ILE 24 2HG1 ILE 24 0.443 -6.065 3.107 185 HG21 ILE 24 1HG2 ILE 24 -2.666 -4.764 1.570 186 HG22 ILE 24 2HG2 ILE 24 -1.719 -3.417 2.198 187 HG23 ILE 24 3HG2 ILE 24 -3.186 -3.931 3.034 188 HD11 ILE 24 3HD1 ILE 24 -1.153 -7.762 2.377 189 HD12 ILE 24 1HD1 ILE 24 0.089 -7.413 1.174 190 HD13 ILE 24 2HD1 ILE 24 -1.541 -6.762 0.977 191 H ALA 25 H ALA 25 1.315 -3.731 3.782 192 HA ALA 25 HA ALA 25 2.890 -5.332 5.604 193 HB1 ALA 25 3HB ALA 25 2.989 -5.903 2.636 194 HB2 ALA 25 1HB ALA 25 2.307 -6.973 3.860 195 HB3 ALA 25 2HB ALA 25 4.033 -6.608 3.870 196 H LEU 26 H LEU 26 5.199 -4.963 5.272 197 HA LEU 26 HA LEU 26 5.631 -2.225 4.330 198 HB2 LEU 26 1HB LEU 26 7.009 -3.967 6.339 199 HB3 LEU 26 2HB LEU 26 7.764 -2.498 5.737 200 HG LEU 26 HG LEU 26 5.146 -2.676 7.240 201 HD11 LEU 26 1HD1 LEU 26 6.348 -1.521 9.018 202 HD12 LEU 26 2HD1 LEU 26 7.831 -1.580 8.064 203 HD13 LEU 26 3HD1 LEU 26 7.096 -3.074 8.645 204 HD21 LEU 26 3HD2 LEU 26 5.029 -0.853 5.666 205 HD22 LEU 26 1HD2 LEU 26 6.631 -0.290 6.143 206 HD23 LEU 26 2HD2 LEU 26 5.289 -0.197 7.280 207 H CYS 27 H CYS 27 7.167 -1.739 2.846 208 HA CYS 27 HA CYS 27 8.355 -4.049 1.452 209 HB2 CYS 27 1HB CYS 27 7.411 -1.412 0.306 210 HB3 CYS 27 2HB CYS 27 8.108 -2.734 -0.617 211 HG CYS 27 HG CYS 27 6.005 -4.493 -0.168 212 H GLN 28 H GLN 28 10.261 -3.308 0.011 213 HA GLN 28 HA GLN 28 12.226 -2.076 1.649 214 HB2 GLN 28 1HB GLN 28 12.290 -2.714 -1.295 215 HB3 GLN 28 2HB GLN 28 13.667 -2.148 -0.378 216 HG2 GLN 28 1HG GLN 28 13.881 -4.496 -0.621 217 HG3 GLN 28 2HG GLN 28 13.467 -4.168 1.059 218 HE21 GLN 28 1HE2 GLN 28 12.698 -6.255 1.362 219 HE22 GLN 28 2HE2 GLN 28 11.196 -6.789 0.692 220 H LYS 29 H LYS 29 13.614 -0.255 0.600 221 HA LYS 29 HA LYS 29 13.773 2.000 0.273 222 HB2 LYS 29 1HB LYS 29 11.307 1.548 -1.397 223 HB3 LYS 29 2HB LYS 29 12.266 3.018 -1.404 224 HG2 LYS 29 1HG LYS 29 14.154 1.827 -2.311 225 HG3 LYS 29 2HG LYS 29 13.281 0.298 -2.198 226 HD2 LYS 29 1HD LYS 29 12.453 2.658 -3.887 227 HD3 LYS 29 2HD LYS 29 13.285 1.223 -4.484 228 HE2 LYS 29 1HE LYS 29 11.393 -0.161 -3.735 229 HE3 LYS 29 2HE LYS 29 10.559 1.293 -3.192 230 HZ1 LYS 29 3HZ LYS 29 11.334 0.665 -5.987 231 HZ2 LYS 29 1HZ LYS 29 10.585 2.096 -5.483 232 HZ3 LYS 29 2HZ LYS 29 9.768 0.622 -5.350 233 H SER 30 H SER 30 11.898 0.727 2.282 234 HA SER 30 HA SER 30 10.403 1.184 3.877 235 HB2 SER 30 1HB SER 30 10.337 3.434 4.843 236 HB3 SER 30 2HB SER 30 11.990 2.918 4.531 237 HG SER 30 HG SER 30 11.440 4.134 2.386 238 H LEU 31 H LEU 31 9.496 1.139 1.061 239 HA LEU 31 HA LEU 31 7.112 2.751 1.061 240 HB2 LEU 31 1HB LEU 31 8.203 0.532 -0.644 241 HB3 LEU 31 2HB LEU 31 6.524 0.992 -0.792 242 HG LEU 31 HG LEU 31 8.221 2.006 -2.424 243 HD11 LEU 31 1HD1 LEU 31 6.345 3.796 -0.886 244 HD12 LEU 31 2HD1 LEU 31 5.920 2.760 -2.250 245 HD13 LEU 31 3HD1 LEU 31 7.002 4.132 -2.489 246 HD21 LEU 31 3HD2 LEU 31 8.716 3.846 -0.100 247 HD22 LEU 31 1HD2 LEU 31 9.346 4.016 -1.739 248 HD23 LEU 31 2HD2 LEU 31 9.875 2.675 -0.724 249 H LYS 32 H LYS 32 4.923 1.626 0.915 250 HA LYS 32 HA LYS 32 4.846 -0.749 2.655 251 HB2 LYS 32 1HB LYS 32 2.833 1.503 2.760 252 HB3 LYS 32 2HB LYS 32 2.885 0.086 3.790 253 HG2 LYS 32 1HG LYS 32 3.768 1.665 5.183 254 HG3 LYS 32 2HG LYS 32 5.236 1.017 4.454 255 HD2 LYS 32 1HD LYS 32 5.314 2.853 2.875 256 HD3 LYS 32 2HD LYS 32 3.788 3.486 3.492 257 HE2 LYS 32 1HE LYS 32 6.317 3.200 5.107 258 HE3 LYS 32 2HE LYS 32 5.781 4.693 4.341 259 HZ1 LYS 32 3HZ LYS 32 4.419 3.209 6.520 260 HZ2 LYS 32 1HZ LYS 32 3.720 4.510 5.690 261 HZ3 LYS 32 2HZ LYS 32 5.121 4.744 6.604 262 H CYS 33 H CYS 33 3.402 -2.317 2.088 263 HA CYS 33 HA CYS 33 2.303 -2.144 -0.570 264 HB2 CYS 33 1HB CYS 33 3.307 -4.247 0.255 265 HB3 CYS 33 2HB CYS 33 2.073 -4.337 1.505 266 HG CYS 33 HG CYS 33 1.842 -5.027 -1.788 267 H CYS 34 H CYS 34 0.430 -1.169 -0.926 268 HA CYS 34 HA CYS 34 -1.607 -1.280 1.190 269 HB2 CYS 34 1HB CYS 34 -1.290 0.724 -1.053 270 HB3 CYS 34 2HB CYS 34 -2.570 0.741 0.156 271 HG CYS 34 HG CYS 34 0.748 1.021 0.948 272 H ARG 35 H ARG 35 -3.574 -2.095 0.775 273 HA ARG 35 HA ARG 35 -3.942 -3.296 -1.890 274 HB2 ARG 35 1HB ARG 35 -5.263 -5.020 -0.848 275 HB3 ARG 35 2HB ARG 35 -3.738 -4.894 0.010 276 HG2 ARG 35 1HG ARG 35 -4.990 -3.407 1.667 277 HG3 ARG 35 2HG ARG 35 -6.460 -3.994 0.892 278 HD2 ARG 35 1HD ARG 35 -5.632 -6.333 1.370 279 HD3 ARG 35 2HD ARG 35 -4.370 -5.601 2.346 280 HE ARG 35 HE ARG 35 -6.732 -4.533 3.275 281 HH11 ARG 35 1HH1 ARG 35 -5.322 -7.729 3.016 282 HH12 ARG 35 2HH1 ARG 35 -6.175 -8.355 4.391 283 HH21 ARG 35 1HH2 ARG 35 -7.846 -5.330 5.059 284 HH22 ARG 35 2HH2 ARG 35 -7.653 -7.001 5.539 285 H THR 36 H THR 36 -5.741 -2.903 -3.029 286 HA THR 36 HA THR 36 -7.539 -0.831 -2.138 287 HB THR 36 HB THR 36 -7.836 -2.452 -4.662 288 HG1 THR 36 HG1 THR 36 -5.956 -0.422 -4.025 289 HG21 THR 36 1HG2 THR 36 -9.660 -0.917 -4.086 290 HG22 THR 36 2HG2 THR 36 -8.800 -0.366 -5.523 291 HG23 THR 36 3HG2 THR 36 -8.510 0.415 -3.969 292 H ILE 37 H ILE 37 -9.185 -1.258 -0.891 293 HA ILE 37 HA ILE 37 -10.004 -3.854 -0.205 294 HB ILE 37 HB ILE 37 -11.309 -1.188 0.312 295 HG12 ILE 37 1HG1 ILE 37 -9.117 -1.116 1.183 296 HG13 ILE 37 2HG1 ILE 37 -10.141 -1.512 2.549 297 HG21 ILE 37 1HG2 ILE 37 -12.868 -3.041 0.676 298 HG22 ILE 37 2HG2 ILE 37 -12.427 -2.245 2.185 299 HG23 ILE 37 3HG2 ILE 37 -11.706 -3.793 1.765 300 HD11 ILE 37 3HD1 ILE 37 -9.527 -3.876 2.300 301 HD12 ILE 37 1HD1 ILE 37 -8.138 -2.835 2.612 302 HD13 ILE 37 2HD1 ILE 37 -8.447 -3.428 0.981 303 H GLN 38 H GLN 38 -10.934 -5.115 -1.680 304 HA GLN 38 HA GLN 38 -13.291 -4.106 -3.111 305 HB2 GLN 38 1HB GLN 38 -11.607 -6.574 -3.571 306 HB3 GLN 38 2HB GLN 38 -13.055 -6.175 -4.484 307 HG2 GLN 38 1HG GLN 38 -11.985 -4.125 -5.278 308 HG3 GLN 38 2HG GLN 38 -10.530 -4.539 -4.373 309 HE21 GLN 38 1HE2 GLN 38 -9.277 -4.594 -6.237 310 HE22 GLN 38 2HE2 GLN 38 -9.395 -5.876 -7.389 311 HA PRO 39 HA PRO 39 -15.803 -6.285 -0.163 312 HB2 PRO 39 1HB PRO 39 -17.893 -6.278 -2.234 313 HB3 PRO 39 2HB PRO 39 -17.892 -5.522 -0.640 314 HG2 PRO 39 1HG PRO 39 -17.711 -4.076 -2.893 315 HG3 PRO 39 2HG PRO 39 -16.875 -3.603 -1.403 316 HD2 PRO 39 1HD PRO 39 -15.781 -4.940 -3.848 317 HD3 PRO 39 2HD PRO 39 -15.066 -3.663 -2.843 318 H SER 40 H SER 40 -15.642 -8.374 0.243 319 HA SER 40 HA SER 40 -16.381 -10.315 -1.834 320 HB2 SER 40 1HB SER 40 -13.994 -10.604 0.015 321 HB3 SER 40 2HB SER 40 -14.486 -11.725 -1.257 322 HG SER 40 HG SER 40 -14.268 -9.350 -2.375 323 H GLY 41 H GLY 41 -15.604 -12.493 0.112 324 HA2 GLY 41 1HA GLY 41 -17.930 -12.732 1.659 325 HA3 GLY 41 2HA GLY 41 -16.417 -13.577 1.976 326 H SER 42 H SER 42 -18.575 -11.716 3.479 327 HA SER 42 HA SER 42 -18.607 -10.142 5.122 328 HB2 SER 42 1HB SER 42 -15.696 -10.901 5.506 329 HB3 SER 42 2HB SER 42 -16.736 -10.102 6.681 330 HG SER 42 HG SER 42 -16.533 -12.758 6.021 331 H ILE 43 H ILE 43 -16.186 -8.508 5.831 332 HA ILE 43 HA ILE 43 -16.244 -6.668 3.629 333 HB ILE 43 HB ILE 43 -14.249 -5.663 5.080 334 HG12 ILE 43 1HG1 ILE 43 -15.904 -7.062 7.184 335 HG13 ILE 43 2HG1 ILE 43 -14.380 -7.722 6.610 336 HG21 ILE 43 1HG2 ILE 43 -16.323 -4.525 4.579 337 HG22 ILE 43 2HG2 ILE 43 -15.940 -4.343 6.291 338 HG23 ILE 43 3HG2 ILE 43 -17.177 -5.492 5.782 339 HD11 ILE 43 3HD1 ILE 43 -13.225 -5.714 7.371 340 HD12 ILE 43 1HD1 ILE 43 -14.110 -6.481 8.689 341 HD13 ILE 43 2HD1 ILE 43 -14.758 -5.034 7.915 342 H ILE 44 H ILE 44 -13.316 -7.780 5.281 343 HA ILE 44 HA ILE 44 -12.139 -8.655 2.774 344 HB ILE 44 HB ILE 44 -10.122 -7.194 3.310 345 HG12 ILE 44 1HG1 ILE 44 -12.221 -5.773 4.954 346 HG13 ILE 44 2HG1 ILE 44 -10.737 -6.503 5.550 347 HG21 ILE 44 1HG2 ILE 44 -12.579 -5.692 2.467 348 HG22 ILE 44 2HG2 ILE 44 -11.766 -6.876 1.441 349 HG23 ILE 44 3HG2 ILE 44 -10.909 -5.425 1.956 350 HD11 ILE 44 3HD1 ILE 44 -9.445 -4.841 4.272 351 HD12 ILE 44 1HD1 ILE 44 -10.507 -4.114 5.475 352 HD13 ILE 44 2HD1 ILE 44 -10.957 -4.081 3.770 353 H ASP 45 H ASP 45 -9.601 -8.931 3.413 354 HA ASP 45 HA ASP 45 -9.456 -11.072 5.240 355 HB2 ASP 45 1HB ASP 45 -7.872 -11.125 3.521 356 HB3 ASP 45 2HB ASP 45 -7.434 -9.435 3.741 Start of MODEL 8 1 H PHE 1 1H PHE 1 11.812 -10.068 -2.580 2 HA PHE 1 HA PHE 1 9.915 -11.805 -4.031 3 HB2 PHE 1 1HB PHE 1 11.385 -12.142 -1.411 4 HB3 PHE 1 2HB PHE 1 10.108 -13.213 -1.975 5 HD1 PHE 1 HD1 PHE 1 10.465 -14.627 -3.957 6 HD2 PHE 1 HD2 PHE 1 13.596 -12.283 -2.282 7 HE1 PHE 1 HE1 PHE 1 12.118 -15.967 -5.187 8 HE2 PHE 1 HE2 PHE 1 15.256 -13.619 -3.513 9 HZ PHE 1 HZ PHE 1 14.519 -15.462 -4.966 10 H PHE 2 H PHE 2 10.337 -9.243 -1.745 11 HA PHE 2 HA PHE 2 8.090 -9.606 -0.126 12 HB2 PHE 2 1HB PHE 2 9.549 -7.110 -0.969 13 HB3 PHE 2 2HB PHE 2 8.185 -7.068 0.139 14 HD1 PHE 2 HD1 PHE 2 8.382 -8.696 2.191 15 HD2 PHE 2 HD2 PHE 2 11.673 -7.282 -0.104 16 HE1 PHE 2 HE1 PHE 2 9.888 -9.143 4.084 17 HE2 PHE 2 HE2 PHE 2 13.187 -7.730 1.783 18 HZ PHE 2 HZ PHE 2 12.295 -8.662 3.879 19 H ASP 3 H ASP 3 8.370 -7.558 -3.060 20 HA ASP 3 HA ASP 3 5.498 -7.221 -2.972 21 HB2 ASP 3 1HB ASP 3 5.710 -5.549 -4.661 22 HB3 ASP 3 2HB ASP 3 6.919 -5.255 -3.420 23 H GLU 4 H GLU 4 7.501 -9.456 -4.251 24 HA GLU 4 HA GLU 4 6.031 -10.152 -6.581 25 HB2 GLU 4 1HB GLU 4 8.203 -11.185 -6.108 26 HB3 GLU 4 2HB GLU 4 7.575 -11.884 -4.624 27 HG2 GLU 4 1HG GLU 4 7.733 -13.548 -6.376 28 HG3 GLU 4 2HG GLU 4 6.053 -13.281 -5.914 29 H LYS 5 H LYS 5 5.852 -11.052 -3.170 30 HA LYS 5 HA LYS 5 3.402 -12.439 -3.339 31 HB2 LYS 5 1HB LYS 5 4.912 -12.658 -1.418 32 HB3 LYS 5 2HB LYS 5 4.638 -10.978 -1.003 33 HG2 LYS 5 1HG LYS 5 3.365 -12.485 0.431 34 HG3 LYS 5 2HG LYS 5 2.310 -11.442 -0.518 35 HD2 LYS 5 1HD LYS 5 1.311 -13.561 -0.625 36 HD3 LYS 5 2HD LYS 5 2.144 -13.383 -2.166 37 HE2 LYS 5 1HE LYS 5 3.283 -14.841 0.213 38 HE3 LYS 5 2HE LYS 5 2.385 -15.628 -1.078 39 HZ1 LYS 5 3HZ LYS 5 4.633 -15.900 -1.603 40 HZ2 LYS 5 1HZ LYS 5 5.026 -14.298 -1.240 41 HZ3 LYS 5 2HZ LYS 5 4.117 -14.654 -2.616 42 H CYS 6 H CYS 6 4.239 -9.042 -2.860 43 HA CYS 6 HA CYS 6 1.725 -8.046 -2.157 44 HB2 CYS 6 1HB CYS 6 3.883 -6.757 -2.125 45 HB3 CYS 6 2HB CYS 6 3.804 -6.669 -3.879 46 HG CYS 6 HG CYS 6 1.801 -4.917 -4.067 47 H ASN 7 H ASN 7 3.207 -8.434 -5.356 48 HA ASN 7 HA ASN 7 1.138 -7.411 -6.919 49 HB2 ASN 7 1HB ASN 7 3.443 -7.970 -7.716 50 HB3 ASN 7 2HB ASN 7 3.010 -9.671 -7.648 51 HD21 ASN 7 1HD2 ASN 7 2.497 -6.656 -9.305 52 HD22 ASN 7 2HD2 ASN 7 1.729 -7.328 -10.698 53 H LYS 8 H LYS 8 1.800 -10.764 -5.983 54 HA LYS 8 HA LYS 8 -0.432 -11.849 -7.331 55 HB2 LYS 8 1HB LYS 8 1.300 -12.965 -5.126 56 HB3 LYS 8 2HB LYS 8 0.183 -13.892 -6.103 57 HG2 LYS 8 1HG LYS 8 2.508 -12.360 -7.223 58 HG3 LYS 8 2HG LYS 8 2.554 -14.075 -6.814 59 HD2 LYS 8 1HD LYS 8 0.926 -14.598 -8.463 60 HD3 LYS 8 2HD LYS 8 0.551 -12.895 -8.726 61 HE2 LYS 8 1HE LYS 8 1.960 -13.931 -10.503 62 HE3 LYS 8 2HE LYS 8 2.669 -12.508 -9.745 63 HZ1 LYS 8 3HZ LYS 8 4.158 -14.508 -10.111 64 HZ2 LYS 8 1HZ LYS 8 3.331 -15.238 -8.831 65 HZ3 LYS 8 2HZ LYS 8 4.197 -13.799 -8.574 66 H LEU 9 H LEU 9 -0.002 -10.460 -4.171 67 HA LEU 9 HA LEU 9 -2.479 -11.532 -3.147 68 HB2 LEU 9 1HB LEU 9 -0.378 -11.112 -1.841 69 HB3 LEU 9 2HB LEU 9 -0.676 -9.400 -2.039 70 HG LEU 9 HG LEU 9 -2.754 -9.611 -0.754 71 HD11 LEU 9 1HD1 LEU 9 -3.198 -11.701 0.463 72 HD12 LEU 9 2HD1 LEU 9 -1.891 -12.487 -0.422 73 HD13 LEU 9 3HD1 LEU 9 -3.324 -11.922 -1.281 74 HD21 LEU 9 3HD2 LEU 9 -1.645 -9.975 1.382 75 HD22 LEU 9 1HD2 LEU 9 -0.620 -9.057 0.275 76 HD23 LEU 9 2HD2 LEU 9 -0.306 -10.768 0.547 77 H LYS 10 H LYS 10 -1.599 -9.075 -5.199 78 HA LYS 10 HA LYS 10 -2.728 -7.416 -6.222 79 HB2 LYS 10 1HB LYS 10 -5.018 -8.641 -4.719 80 HB3 LYS 10 2HB LYS 10 -5.236 -7.142 -5.607 81 HG2 LYS 10 1HG LYS 10 -5.926 -8.863 -7.056 82 HG3 LYS 10 2HG LYS 10 -4.343 -8.344 -7.631 83 HD2 LYS 10 1HD LYS 10 -4.412 -10.732 -7.707 84 HD3 LYS 10 2HD LYS 10 -3.337 -10.257 -6.392 85 HE2 LYS 10 1HE LYS 10 -4.724 -12.077 -5.657 86 HE3 LYS 10 2HE LYS 10 -5.197 -10.613 -4.798 87 HZ1 LYS 10 3HZ LYS 10 -6.600 -11.782 -7.141 88 HZ2 LYS 10 1HZ LYS 10 -7.054 -10.366 -6.336 89 HZ3 LYS 10 2HZ LYS 10 -7.124 -11.851 -5.535 90 H GLY 11 H GLY 11 -1.176 -6.876 -4.015 91 HA2 GLY 11 1HA GLY 11 -2.573 -4.512 -2.925 92 HA3 GLY 11 2HA GLY 11 -1.247 -5.335 -2.110 93 H THR 12 H THR 12 -1.006 -2.659 -2.495 94 HA THR 12 HA THR 12 1.032 -2.553 -4.604 95 HB THR 12 HB THR 12 0.344 -0.032 -4.689 96 HG1 THR 12 HG1 THR 12 -1.650 -1.139 -3.191 97 HG21 THR 12 1HG2 THR 12 -1.187 -0.528 -6.539 98 HG22 THR 12 2HG2 THR 12 -1.301 -2.198 -5.987 99 HG23 THR 12 3HG2 THR 12 0.237 -1.567 -6.574 100 H CYS 13 H CYS 13 2.981 -1.858 -3.954 101 HA CYS 13 HA CYS 13 3.276 -0.949 -1.212 102 HB2 CYS 13 1HB CYS 13 5.502 -1.130 -3.245 103 HB3 CYS 13 2HB CYS 13 5.617 -1.165 -1.496 104 HG CYS 13 HG CYS 13 4.010 -3.660 -3.178 105 H LYS 14 H LYS 14 2.524 1.066 -1.006 106 HA LYS 14 HA LYS 14 3.713 3.097 -2.752 107 HB2 LYS 14 1HB LYS 14 1.575 4.422 -1.903 108 HB3 LYS 14 2HB LYS 14 1.579 3.440 -3.349 109 HG2 LYS 14 1HG LYS 14 -0.331 2.758 -2.386 110 HG3 LYS 14 2HG LYS 14 0.768 1.561 -1.724 111 HD2 LYS 14 1HD LYS 14 -0.010 4.094 -0.292 112 HD3 LYS 14 2HD LYS 14 -0.894 2.582 -0.118 113 HE2 LYS 14 1HE LYS 14 1.015 1.498 0.814 114 HE3 LYS 14 2HE LYS 14 2.038 2.884 0.439 115 HZ1 LYS 14 3HZ LYS 14 -0.255 2.951 2.332 116 HZ2 LYS 14 1HZ LYS 14 0.856 4.195 2.050 117 HZ3 LYS 14 2HZ LYS 14 1.359 2.769 2.797 118 H ASN 15 H ASN 15 3.542 5.337 -1.698 119 HA ASN 15 HA ASN 15 4.764 5.262 0.899 120 HB2 ASN 15 1HB ASN 15 5.111 6.960 -1.043 121 HB3 ASN 15 2HB ASN 15 3.678 7.711 -0.387 122 HD21 ASN 15 1HD2 ASN 15 6.143 6.103 1.529 123 HD22 ASN 15 2HD2 ASN 15 6.687 7.531 2.336 124 H ASN 16 H ASN 16 1.781 6.537 -0.505 125 HA ASN 16 HA ASN 16 0.565 6.570 2.194 126 HB2 ASN 16 1HB ASN 16 -0.587 8.621 1.662 127 HB3 ASN 16 2HB ASN 16 1.125 8.859 1.335 128 HD21 ASN 16 1HD2 ASN 16 1.829 8.860 -0.858 129 HD22 ASN 16 2HD2 ASN 16 0.731 9.281 -2.125 130 H CYS 17 H CYS 17 -1.542 5.860 2.362 131 HA CYS 17 HA CYS 17 -2.304 3.970 0.366 132 HB2 CYS 17 1HB CYS 17 -3.950 4.862 2.731 133 HB3 CYS 17 2HB CYS 17 -4.058 3.337 1.864 134 HG CYS 17 HG CYS 17 -2.545 3.784 4.590 135 H GLY 18 H GLY 18 -3.747 4.099 -1.203 136 HA2 GLY 18 1HA GLY 18 -4.912 6.719 -1.735 137 HA3 GLY 18 2HA GLY 18 -4.795 5.378 -2.863 138 H LYS 19 H LYS 19 -6.974 5.827 -3.398 139 HA LYS 19 HA LYS 19 -9.166 5.916 -1.769 140 HB2 LYS 19 1HB LYS 19 -10.334 4.771 -3.821 141 HB3 LYS 19 2HB LYS 19 -9.672 6.391 -3.952 142 HG2 LYS 19 1HG LYS 19 -8.983 5.338 -5.904 143 HG3 LYS 19 2HG LYS 19 -7.566 5.257 -4.867 144 HD2 LYS 19 1HD LYS 19 -8.314 2.939 -4.223 145 HD3 LYS 19 2HD LYS 19 -9.516 3.057 -5.508 146 HE2 LYS 19 1HE LYS 19 -7.581 1.889 -6.339 147 HE3 LYS 19 2HE LYS 19 -7.689 3.464 -7.124 148 HZ1 LYS 19 3HZ LYS 19 -5.906 2.793 -4.833 149 HZ2 LYS 19 1HZ LYS 19 -6.002 4.295 -5.612 150 HZ3 LYS 19 2HZ LYS 19 -5.426 2.949 -6.450 151 H ASN 20 H ASN 20 -9.985 4.630 -0.318 152 HA ASN 20 HA ASN 20 -10.596 2.790 0.871 153 HB2 ASN 20 1HB ASN 20 -10.907 1.649 -1.913 154 HB3 ASN 20 2HB ASN 20 -11.569 0.928 -0.451 155 HD21 ASN 20 1HD2 ASN 20 -12.895 1.914 -2.856 156 HD22 ASN 20 2HD2 ASN 20 -14.032 3.101 -2.319 157 H GLU 21 H GLU 21 -7.898 2.984 0.910 158 HA GLU 21 HA GLU 21 -6.980 0.223 0.455 159 HB2 GLU 21 1HB GLU 21 -5.604 2.852 0.011 160 HB3 GLU 21 2HB GLU 21 -4.652 1.415 0.348 161 HG2 GLU 21 1HG GLU 21 -5.505 0.315 -1.597 162 HG3 GLU 21 2HG GLU 21 -6.667 1.609 -1.876 163 H GLU 22 H GLU 22 -6.022 -0.838 2.064 164 HA GLU 22 HA GLU 22 -5.390 0.668 4.514 165 HB2 GLU 22 1HB GLU 22 -6.012 -1.339 5.789 166 HB3 GLU 22 2HB GLU 22 -7.368 -0.682 4.894 167 HG2 GLU 22 1HG GLU 22 -7.256 -2.427 3.292 168 HG3 GLU 22 2HG GLU 22 -5.705 -2.987 3.919 169 H LEU 23 H LEU 23 -3.615 -0.092 5.751 170 HA LEU 23 HA LEU 23 -1.452 -1.085 4.137 171 HB2 LEU 23 1HB LEU 23 -1.512 0.650 6.142 172 HB3 LEU 23 2HB LEU 23 -1.246 -0.782 7.097 173 HG LEU 23 HG LEU 23 0.561 0.096 4.851 174 HD11 LEU 23 1HD1 LEU 23 2.063 0.846 6.658 175 HD12 LEU 23 2HD1 LEU 23 0.772 0.551 7.822 176 HD13 LEU 23 3HD1 LEU 23 0.573 1.782 6.577 177 HD21 LEU 23 3HD2 LEU 23 0.629 -2.283 5.421 178 HD22 LEU 23 1HD2 LEU 23 0.948 -1.859 7.099 179 HD23 LEU 23 2HD2 LEU 23 2.128 -1.454 5.849 180 H ILE 24 H ILE 24 -0.745 -3.122 4.013 181 HA ILE 24 HA ILE 24 -1.914 -5.086 5.870 182 HB ILE 24 HB ILE 24 -2.379 -6.587 4.141 183 HG12 ILE 24 1HG1 ILE 24 -1.417 -5.666 1.727 184 HG13 ILE 24 2HG1 ILE 24 -0.093 -5.315 2.832 185 HG21 ILE 24 1HG2 ILE 24 -2.711 -3.927 2.781 186 HG22 ILE 24 2HG2 ILE 24 -3.770 -4.530 4.059 187 HG23 ILE 24 3HG2 ILE 24 -3.665 -5.388 2.522 188 HD11 ILE 24 3HD1 ILE 24 -0.062 -7.649 3.535 189 HD12 ILE 24 1HD1 ILE 24 0.180 -7.487 1.796 190 HD13 ILE 24 2HD1 ILE 24 -1.387 -7.997 2.424 191 H ALA 25 H ALA 25 0.942 -3.956 4.245 192 HA ALA 25 HA ALA 25 2.615 -5.626 5.898 193 HB1 ALA 25 3HB ALA 25 2.110 -7.162 4.049 194 HB2 ALA 25 1HB ALA 25 3.812 -6.701 4.065 195 HB3 ALA 25 2HB ALA 25 2.712 -5.969 2.899 196 H LEU 26 H LEU 26 4.879 -5.110 5.642 197 HA LEU 26 HA LEU 26 5.227 -2.337 4.734 198 HB2 LEU 26 1HB LEU 26 6.517 -3.921 6.935 199 HB3 LEU 26 2HB LEU 26 7.174 -2.392 6.378 200 HG LEU 26 HG LEU 26 4.412 -2.769 7.551 201 HD11 LEU 26 1HD1 LEU 26 6.155 -3.144 9.214 202 HD12 LEU 26 2HD1 LEU 26 5.303 -1.630 9.516 203 HD13 LEU 26 3HD1 LEU 26 6.907 -1.608 8.782 204 HD21 LEU 26 3HD2 LEU 26 4.452 -0.288 7.695 205 HD22 LEU 26 1HD2 LEU 26 4.443 -0.890 6.037 206 HD23 LEU 26 2HD2 LEU 26 5.941 -0.294 6.753 207 H CYS 27 H CYS 27 6.970 -1.813 3.466 208 HA CYS 27 HA CYS 27 8.519 -4.069 2.390 209 HB2 CYS 27 1HB CYS 27 7.080 -1.880 0.883 210 HB3 CYS 27 2HB CYS 27 8.254 -2.949 0.134 211 HG CYS 27 HG CYS 27 5.798 -3.887 -0.652 212 H GLN 28 H GLN 28 10.205 -2.917 0.723 213 HA GLN 28 HA GLN 28 11.776 -1.140 2.415 214 HB2 GLN 28 1HB GLN 28 12.501 -2.398 -0.224 215 HB3 GLN 28 2HB GLN 28 13.594 -1.554 0.855 216 HG2 GLN 28 1HG GLN 28 13.285 -3.272 2.543 217 HG3 GLN 28 2HG GLN 28 12.156 -4.120 1.485 218 HE21 GLN 28 1HE2 GLN 28 14.677 -5.031 2.620 219 HE22 GLN 28 2HE2 GLN 28 15.680 -5.464 1.278 220 H LYS 29 H LYS 29 13.049 0.587 1.162 221 HA LYS 29 HA LYS 29 13.123 2.529 -0.029 222 HB2 LYS 29 1HB LYS 29 11.001 1.275 -1.737 223 HB3 LYS 29 2HB LYS 29 11.974 2.670 -2.159 224 HG2 LYS 29 1HG LYS 29 13.972 1.292 -2.205 225 HG3 LYS 29 2HG LYS 29 13.027 -0.113 -1.714 226 HD2 LYS 29 1HD LYS 29 12.708 1.456 -4.272 227 HD3 LYS 29 2HD LYS 29 13.418 -0.150 -4.113 228 HE2 LYS 29 1HE LYS 29 10.559 0.559 -3.434 229 HE3 LYS 29 2HE LYS 29 11.087 -0.206 -4.933 230 HZ1 LYS 29 3HZ LYS 29 10.260 -1.837 -3.382 231 HZ2 LYS 29 1HZ LYS 29 11.371 -1.342 -2.208 232 HZ3 LYS 29 2HZ LYS 29 11.916 -2.072 -3.629 233 H SER 30 H SER 30 11.470 2.332 2.184 234 HA SER 30 HA SER 30 9.754 3.237 3.342 235 HB2 SER 30 1HB SER 30 9.160 5.606 2.748 236 HB3 SER 30 2HB SER 30 10.882 5.314 2.973 237 HG SER 30 HG SER 30 10.193 4.920 0.398 238 H LEU 31 H LEU 31 9.090 1.455 1.163 239 HA LEU 31 HA LEU 31 6.390 2.404 0.506 240 HB2 LEU 31 1HB LEU 31 8.065 0.202 -0.734 241 HB3 LEU 31 2HB LEU 31 6.388 0.489 -1.123 242 HG LEU 31 HG LEU 31 8.659 2.418 -1.597 243 HD11 LEU 31 1HD1 LEU 31 8.617 0.430 -3.077 244 HD12 LEU 31 2HD1 LEU 31 8.327 1.944 -3.931 245 HD13 LEU 31 3HD1 LEU 31 6.979 0.868 -3.562 246 HD21 LEU 31 3HD2 LEU 31 6.951 3.712 -2.827 247 HD22 LEU 31 1HD2 LEU 31 6.620 3.613 -1.094 248 HD23 LEU 31 2HD2 LEU 31 5.722 2.598 -2.224 249 H LYS 32 H LYS 32 4.616 1.113 1.021 250 HA LYS 32 HA LYS 32 5.087 -1.466 2.234 251 HB2 LYS 32 1HB LYS 32 3.734 -1.000 4.179 252 HB3 LYS 32 2HB LYS 32 5.077 0.115 4.079 253 HG2 LYS 32 1HG LYS 32 2.305 0.833 3.206 254 HG3 LYS 32 2HG LYS 32 2.906 1.071 4.848 255 HD2 LYS 32 1HD LYS 32 4.044 2.298 2.333 256 HD3 LYS 32 2HD LYS 32 3.077 3.129 3.549 257 HE2 LYS 32 1HE LYS 32 5.792 1.888 3.997 258 HE3 LYS 32 2HE LYS 32 5.468 3.606 3.797 259 HZ1 LYS 32 3HZ LYS 32 5.722 2.941 6.128 260 HZ2 LYS 32 1HZ LYS 32 4.371 1.936 5.991 261 HZ3 LYS 32 2HZ LYS 32 4.200 3.608 5.816 262 H CYS 33 H CYS 33 3.175 -2.801 2.314 263 HA CYS 33 HA CYS 33 1.790 -2.462 -0.185 264 HB2 CYS 33 1HB CYS 33 2.716 -4.659 0.644 265 HB3 CYS 33 2HB CYS 33 1.431 -4.658 1.851 266 HG CYS 33 HG CYS 33 1.309 -5.499 -1.361 267 H CYS 34 H CYS 34 -0.063 -1.460 -0.390 268 HA CYS 34 HA CYS 34 -2.077 -1.868 1.707 269 HB2 CYS 34 1HB CYS 34 -1.617 0.605 0.033 270 HB3 CYS 34 2HB CYS 34 -3.050 0.336 1.022 271 HG CYS 34 HG CYS 34 -2.057 1.137 3.250 272 H ARG 35 H ARG 35 -4.043 -2.525 1.042 273 HA ARG 35 HA ARG 35 -4.200 -3.297 -1.790 274 HB2 ARG 35 1HB ARG 35 -5.653 -4.461 0.597 275 HB3 ARG 35 2HB ARG 35 -5.716 -5.075 -1.048 276 HG2 ARG 35 1HG ARG 35 -3.398 -5.692 -0.971 277 HG3 ARG 35 2HG ARG 35 -3.209 -4.929 0.608 278 HD2 ARG 35 1HD ARG 35 -3.435 -7.187 1.135 279 HD3 ARG 35 2HD ARG 35 -5.059 -6.542 1.366 280 HE ARG 35 HE ARG 35 -4.812 -7.486 -1.275 281 HH11 ARG 35 1HH1 ARG 35 -5.057 -8.656 2.011 282 HH12 ARG 35 2HH1 ARG 35 -5.751 -10.177 1.555 283 HH21 ARG 35 1HH2 ARG 35 -5.747 -9.476 -1.884 284 HH22 ARG 35 2HH2 ARG 35 -6.141 -10.648 -0.667 285 H THR 36 H THR 36 -5.843 -2.635 -3.033 286 HA THR 36 HA THR 36 -7.644 -0.625 -2.072 287 HB THR 36 HB THR 36 -7.597 -2.031 -4.754 288 HG1 THR 36 HG1 THR 36 -6.006 -0.106 -3.631 289 HG21 THR 36 1HG2 THR 36 -8.845 -0.076 -5.548 290 HG22 THR 36 2HG2 THR 36 -8.882 0.572 -3.909 291 HG23 THR 36 3HG2 THR 36 -9.736 -0.924 -4.285 292 H ILE 37 H ILE 37 -9.184 -1.251 -0.761 293 HA ILE 37 HA ILE 37 -10.337 -3.879 -0.845 294 HB ILE 37 HB ILE 37 -11.119 -1.501 0.838 295 HG12 ILE 37 1HG1 ILE 37 -8.732 -1.940 1.052 296 HG13 ILE 37 2HG1 ILE 37 -9.559 -2.453 2.510 297 HG21 ILE 37 1HG2 ILE 37 -12.754 -3.318 0.826 298 HG22 ILE 37 2HG2 ILE 37 -11.958 -3.184 2.394 299 HG23 ILE 37 3HG2 ILE 37 -11.489 -4.461 1.274 300 HD11 ILE 37 3HD1 ILE 37 -9.455 -4.763 1.770 301 HD12 ILE 37 1HD1 ILE 37 -7.848 -4.045 1.830 302 HD13 ILE 37 2HD1 ILE 37 -8.667 -4.258 0.280 303 H GLN 38 H GLN 38 -11.856 -4.383 -2.230 304 HA GLN 38 HA GLN 38 -13.742 -2.308 -3.099 305 HB2 GLN 38 1HB GLN 38 -14.138 -3.742 -5.072 306 HB3 GLN 38 2HB GLN 38 -12.460 -3.241 -4.925 307 HG2 GLN 38 1HG GLN 38 -11.912 -5.436 -3.967 308 HG3 GLN 38 2HG GLN 38 -13.591 -5.928 -4.187 309 HE21 GLN 38 1HE2 GLN 38 -11.173 -7.067 -5.318 310 HE22 GLN 38 2HE2 GLN 38 -11.370 -6.999 -7.035 311 HA PRO 39 HA PRO 39 -16.937 -4.383 -0.774 312 HB2 PRO 39 1HB PRO 39 -18.713 -2.998 -2.701 313 HB3 PRO 39 2HB PRO 39 -18.705 -2.935 -0.936 314 HG2 PRO 39 1HG PRO 39 -17.830 -0.874 -2.388 315 HG3 PRO 39 2HG PRO 39 -17.042 -1.328 -0.866 316 HD2 PRO 39 1HD PRO 39 -16.174 -1.848 -3.681 317 HD3 PRO 39 2HD PRO 39 -15.202 -1.401 -2.264 318 H SER 40 H SER 40 -18.032 -6.251 -1.056 319 HA SER 40 HA SER 40 -18.922 -8.106 -2.010 320 HB2 SER 40 1HB SER 40 -18.940 -6.459 -4.538 321 HB3 SER 40 2HB SER 40 -19.711 -8.037 -4.356 322 HG SER 40 HG SER 40 -20.302 -5.802 -2.708 323 H GLY 41 H GLY 41 -15.978 -6.866 -2.639 324 HA2 GLY 41 1HA GLY 41 -14.963 -8.719 -4.550 325 HA3 GLY 41 2HA GLY 41 -14.010 -7.734 -3.452 326 H SER 42 H SER 42 -13.012 -10.123 -3.850 327 HA SER 42 HA SER 42 -14.048 -12.111 -2.072 328 HB2 SER 42 1HB SER 42 -12.764 -12.661 -4.131 329 HB3 SER 42 2HB SER 42 -11.324 -11.973 -3.388 330 HG SER 42 HG SER 42 -12.831 -14.176 -2.406 331 H ILE 43 H ILE 43 -13.113 -12.870 -0.185 332 HA ILE 43 HA ILE 43 -12.048 -12.846 1.811 333 HB ILE 43 HB ILE 43 -10.242 -10.758 0.584 334 HG12 ILE 43 1HG1 ILE 43 -9.844 -13.731 0.995 335 HG13 ILE 43 2HG1 ILE 43 -10.176 -12.953 -0.549 336 HG21 ILE 43 1HG2 ILE 43 -8.706 -11.287 2.423 337 HG22 ILE 43 2HG2 ILE 43 -9.923 -12.354 3.125 338 HG23 ILE 43 3HG2 ILE 43 -10.227 -10.620 3.016 339 HD11 ILE 43 3HD1 ILE 43 -7.824 -13.483 -0.322 340 HD12 ILE 43 1HD1 ILE 43 -7.736 -12.528 1.158 341 HD13 ILE 43 2HD1 ILE 43 -8.066 -11.736 -0.383 342 H ILE 44 H ILE 44 -11.998 -9.428 0.748 343 HA ILE 44 HA ILE 44 -13.371 -8.781 3.271 344 HB ILE 44 HB ILE 44 -11.066 -8.107 3.481 345 HG12 ILE 44 1HG1 ILE 44 -12.792 -5.680 2.939 346 HG13 ILE 44 2HG1 ILE 44 -12.815 -6.624 4.424 347 HG21 ILE 44 1HG2 ILE 44 -10.549 -7.987 1.081 348 HG22 ILE 44 2HG2 ILE 44 -9.974 -6.579 1.969 349 HG23 ILE 44 3HG2 ILE 44 -11.429 -6.461 0.981 350 HD11 ILE 44 3HD1 ILE 44 -10.548 -4.959 3.360 351 HD12 ILE 44 1HD1 ILE 44 -10.424 -6.033 4.755 352 HD13 ILE 44 2HD1 ILE 44 -11.529 -4.660 4.794 353 H ASP 45 H ASP 45 -15.007 -7.332 3.210 354 HA ASP 45 HA ASP 45 -15.834 -6.389 0.545 355 HB2 ASP 45 1HB ASP 45 -17.513 -7.047 2.979 356 HB3 ASP 45 2HB ASP 45 -18.146 -6.367 1.487 Start of MODEL 9 1 H PHE 1 1H PHE 1 11.258 -12.195 -1.037 2 HA PHE 1 HA PHE 1 8.974 -12.616 -1.514 3 HB2 PHE 1 1HB PHE 1 10.170 -14.075 0.104 4 HB3 PHE 1 2HB PHE 1 9.574 -13.066 1.418 5 HD1 PHE 1 HD2 PHE 1 8.419 -15.198 -1.394 6 HD2 PHE 1 HD1 PHE 1 7.535 -13.543 2.423 7 HE1 PHE 1 HE2 PHE 1 6.379 -16.568 -1.277 8 HE2 PHE 1 HE1 PHE 1 5.492 -14.909 2.547 9 HZ PHE 1 HZ PHE 1 4.913 -16.424 0.696 10 H PHE 2 H PHE 2 9.500 -10.029 0.714 11 HA PHE 2 HA PHE 2 7.037 -9.655 1.882 12 HB2 PHE 2 1HB PHE 2 9.046 -7.646 0.885 13 HB3 PHE 2 2HB PHE 2 7.571 -7.154 1.711 14 HD1 PHE 2 HD2 PHE 2 7.141 -8.303 4.012 15 HD2 PHE 2 HD1 PHE 2 10.946 -8.048 2.126 16 HE1 PHE 2 HE2 PHE 2 8.239 -8.634 6.189 17 HE2 PHE 2 HE1 PHE 2 12.051 -8.375 4.300 18 HZ PHE 2 HZ PHE 2 10.694 -8.669 6.335 19 H ASP 3 H ASP 3 8.046 -8.166 -1.225 20 HA ASP 3 HA ASP 3 5.271 -7.520 -1.710 21 HB2 ASP 3 1HB ASP 3 6.029 -6.321 -3.680 22 HB3 ASP 3 2HB ASP 3 6.920 -5.821 -2.251 23 H GLU 4 H GLU 4 7.156 -10.150 -2.236 24 HA GLU 4 HA GLU 4 5.942 -11.093 -4.645 25 HB2 GLU 4 1HB GLU 4 8.003 -12.101 -3.610 26 HB3 GLU 4 2HB GLU 4 6.988 -12.734 -2.323 27 HG2 GLU 4 1HG GLU 4 7.378 -14.490 -3.869 28 HG3 GLU 4 2HG GLU 4 5.699 -13.984 -4.051 29 H LYS 5 H LYS 5 5.239 -11.162 -1.220 30 HA LYS 5 HA LYS 5 2.752 -12.534 -1.463 31 HB2 LYS 5 1HB LYS 5 4.187 -12.302 0.634 32 HB3 LYS 5 2HB LYS 5 3.571 -10.661 0.754 33 HG2 LYS 5 1HG LYS 5 2.336 -12.164 2.203 34 HG3 LYS 5 2HG LYS 5 1.293 -11.523 0.933 35 HD2 LYS 5 1HD LYS 5 1.463 -13.578 -0.313 36 HD3 LYS 5 2HD LYS 5 2.656 -14.212 0.821 37 HE2 LYS 5 1HE LYS 5 -0.182 -13.494 1.536 38 HE3 LYS 5 2HE LYS 5 0.371 -15.124 1.157 39 HZ1 LYS 5 3HZ LYS 5 0.308 -14.811 3.523 40 HZ2 LYS 5 1HZ LYS 5 1.290 -13.437 3.421 41 HZ3 LYS 5 2HZ LYS 5 1.920 -14.955 3.035 42 H CYS 6 H CYS 6 3.821 -9.181 -1.558 43 HA CYS 6 HA CYS 6 1.354 -7.880 -1.498 44 HB2 CYS 6 1HB CYS 6 3.526 -6.692 -1.458 45 HB3 CYS 6 2HB CYS 6 3.821 -7.169 -3.122 46 HG CYS 6 HG CYS 6 1.312 -5.739 -3.858 47 H ASN 7 H ASN 7 3.122 -9.324 -4.191 48 HA ASN 7 HA ASN 7 1.313 -8.716 -6.256 49 HB2 ASN 7 1HB ASN 7 3.622 -9.562 -6.592 50 HB3 ASN 7 2HB ASN 7 3.115 -11.133 -5.996 51 HD21 ASN 7 1HD2 ASN 7 2.979 -8.891 -8.631 52 HD22 ASN 7 2HD2 ASN 7 2.290 -9.978 -9.786 53 H LYS 8 H LYS 8 1.583 -11.456 -4.081 54 HA LYS 8 HA LYS 8 -0.399 -13.104 -5.150 55 HB2 LYS 8 1HB LYS 8 1.357 -13.504 -3.259 56 HB3 LYS 8 2HB LYS 8 0.079 -12.941 -2.199 57 HG2 LYS 8 1HG LYS 8 -0.301 -15.222 -4.113 58 HG3 LYS 8 2HG LYS 8 0.312 -15.441 -2.476 59 HD2 LYS 8 1HD LYS 8 -1.742 -14.427 -1.588 60 HD3 LYS 8 2HD LYS 8 -2.352 -14.240 -3.234 61 HE2 LYS 8 1HE LYS 8 -2.262 -16.671 -3.537 62 HE3 LYS 8 2HE LYS 8 -1.659 -16.849 -1.892 63 HZ1 LYS 8 3HZ LYS 8 -4.296 -15.704 -2.626 64 HZ2 LYS 8 1HZ LYS 8 -3.720 -15.942 -1.055 65 HZ3 LYS 8 2HZ LYS 8 -4.041 -17.270 -2.049 66 H LEU 9 H LEU 9 -0.664 -10.509 -2.734 67 HA LEU 9 HA LEU 9 -3.519 -10.844 -2.475 68 HB2 LEU 9 1HB LEU 9 -1.555 -8.832 -1.422 69 HB3 LEU 9 2HB LEU 9 -3.275 -8.541 -1.297 70 HG LEU 9 HG LEU 9 -2.493 -9.414 0.789 71 HD11 LEU 9 1HD1 LEU 9 -3.969 -11.572 -0.703 72 HD12 LEU 9 2HD1 LEU 9 -4.695 -10.161 0.064 73 HD13 LEU 9 3HD1 LEU 9 -3.890 -11.384 1.047 74 HD21 LEU 9 3HD2 LEU 9 -1.437 -11.787 -0.736 75 HD22 LEU 9 1HD2 LEU 9 -1.410 -11.572 1.014 76 HD23 LEU 9 2HD2 LEU 9 -0.458 -10.504 -0.021 77 H LYS 10 H LYS 10 -1.495 -9.413 -4.708 78 HA LYS 10 HA LYS 10 -1.789 -8.124 -6.530 79 HB2 LYS 10 1HB LYS 10 -4.677 -8.646 -5.900 80 HB3 LYS 10 2HB LYS 10 -4.187 -7.626 -7.249 81 HG2 LYS 10 1HG LYS 10 -2.792 -9.555 -8.058 82 HG3 LYS 10 2HG LYS 10 -3.598 -10.541 -6.836 83 HD2 LYS 10 1HD LYS 10 -5.744 -10.099 -7.831 84 HD3 LYS 10 2HD LYS 10 -5.012 -8.964 -8.967 85 HE2 LYS 10 1HE LYS 10 -4.381 -11.908 -8.828 86 HE3 LYS 10 2HE LYS 10 -5.516 -11.179 -9.963 87 HZ1 LYS 10 3HZ LYS 10 -3.692 -9.857 -10.860 88 HZ2 LYS 10 1HZ LYS 10 -3.369 -11.512 -10.987 89 HZ3 LYS 10 2HZ LYS 10 -2.608 -10.594 -9.790 90 H GLY 11 H GLY 11 -1.290 -6.975 -4.021 91 HA2 GLY 11 1HA GLY 11 -2.674 -4.384 -4.197 92 HA3 GLY 11 2HA GLY 11 -1.702 -4.938 -2.836 93 H THR 12 H THR 12 -1.084 -2.499 -3.607 94 HA THR 12 HA THR 12 1.307 -2.847 -5.285 95 HB THR 12 HB THR 12 -0.316 -1.537 -6.513 96 HG1 THR 12 HG1 THR 12 1.041 0.158 -7.006 97 HG21 THR 12 1HG2 THR 12 -0.232 0.364 -4.180 98 HG22 THR 12 2HG2 THR 12 -1.600 -0.650 -4.637 99 HG23 THR 12 3HG2 THR 12 -1.069 0.649 -5.707 100 H CYS 13 H CYS 13 3.064 -1.464 -4.822 101 HA CYS 13 HA CYS 13 3.290 -0.986 -1.947 102 HB2 CYS 13 1HB CYS 13 5.532 -0.894 -3.964 103 HB3 CYS 13 2HB CYS 13 5.654 -1.064 -2.221 104 HG CYS 13 HG CYS 13 4.051 -3.613 -2.623 105 H LYS 14 H LYS 14 2.483 0.951 -1.515 106 HA LYS 14 HA LYS 14 3.778 3.249 -2.793 107 HB2 LYS 14 1HB LYS 14 1.594 4.496 -2.503 108 HB3 LYS 14 2HB LYS 14 1.613 3.274 -3.767 109 HG2 LYS 14 1HG LYS 14 0.377 1.751 -2.407 110 HG3 LYS 14 2HG LYS 14 0.514 2.813 -1.008 111 HD2 LYS 14 1HD LYS 14 -1.701 2.983 -1.983 112 HD3 LYS 14 2HD LYS 14 -0.834 4.503 -2.171 113 HE2 LYS 14 1HE LYS 14 -0.818 2.470 -4.367 114 HE3 LYS 14 2HE LYS 14 -2.202 3.538 -4.159 115 HZ1 LYS 14 3HZ LYS 14 -0.648 4.452 -5.741 116 HZ2 LYS 14 1HZ LYS 14 0.607 4.398 -4.610 117 HZ3 LYS 14 2HZ LYS 14 -0.702 5.436 -4.369 118 H ASN 15 H ASN 15 3.411 5.270 -1.351 119 HA ASN 15 HA ASN 15 4.175 4.472 1.321 120 HB2 ASN 15 1HB ASN 15 4.154 7.123 -0.114 121 HB3 ASN 15 2HB ASN 15 4.567 6.963 1.584 122 HD21 ASN 15 1HD2 ASN 15 6.467 5.881 2.165 123 HD22 ASN 15 2HD2 ASN 15 7.745 5.625 1.025 124 H ASN 16 H ASN 16 1.805 6.640 -0.185 125 HA ASN 16 HA ASN 16 0.269 6.674 2.315 126 HB2 ASN 16 1HB ASN 16 -0.086 8.415 -0.137 127 HB3 ASN 16 2HB ASN 16 -0.846 8.640 1.433 128 HD21 ASN 16 1HD2 ASN 16 2.079 8.934 -0.405 129 HD22 ASN 16 2HD2 ASN 16 2.937 9.919 0.732 130 H CYS 17 H CYS 17 -1.605 5.577 2.442 131 HA CYS 17 HA CYS 17 -2.437 3.924 0.276 132 HB2 CYS 17 1HB CYS 17 -3.931 4.559 2.827 133 HB3 CYS 17 2HB CYS 17 -4.212 3.189 1.762 134 HG CYS 17 HG CYS 17 -1.454 2.297 2.258 135 H GLY 18 H GLY 18 -3.766 4.381 -1.336 136 HA2 GLY 18 1HA GLY 18 -4.961 7.016 -1.475 137 HA3 GLY 18 2HA GLY 18 -4.910 5.813 -2.756 138 H LYS 19 H LYS 19 -7.131 6.349 -3.164 139 HA LYS 19 HA LYS 19 -9.193 6.173 -1.319 140 HB2 LYS 19 1HB LYS 19 -10.650 5.636 -3.333 141 HB3 LYS 19 2HB LYS 19 -9.728 7.126 -3.403 142 HG2 LYS 19 1HG LYS 19 -9.424 6.300 -5.519 143 HG3 LYS 19 2HG LYS 19 -7.996 5.670 -4.700 144 HD2 LYS 19 1HD LYS 19 -9.142 3.515 -4.382 145 HD3 LYS 19 2HD LYS 19 -10.555 4.157 -5.228 146 HE2 LYS 19 1HE LYS 19 -9.244 4.449 -7.246 147 HE3 LYS 19 2HE LYS 19 -7.792 3.903 -6.409 148 HZ1 LYS 19 3HZ LYS 19 -8.724 2.130 -7.721 149 HZ2 LYS 19 1HZ LYS 19 -10.219 2.276 -6.942 150 HZ3 LYS 19 2HZ LYS 19 -8.864 1.748 -6.083 151 H ASN 20 H ASN 20 -10.070 4.610 -0.213 152 HA ASN 20 HA ASN 20 -10.578 2.563 0.611 153 HB2 ASN 20 1HB ASN 20 -10.782 2.050 -2.351 154 HB3 ASN 20 2HB ASN 20 -11.156 0.805 -1.166 155 HD21 ASN 20 1HD2 ASN 20 -13.286 0.702 -1.834 156 HD22 ASN 20 2HD2 ASN 20 -14.432 1.936 -1.447 157 H GLU 21 H GLU 21 -7.914 2.940 0.877 158 HA GLU 21 HA GLU 21 -6.900 0.245 0.300 159 HB2 GLU 21 1HB GLU 21 -5.472 2.858 -0.102 160 HB3 GLU 21 2HB GLU 21 -4.583 1.362 0.143 161 HG2 GLU 21 1HG GLU 21 -5.812 0.404 -1.799 162 HG3 GLU 21 2HG GLU 21 -6.504 1.999 -2.081 163 H GLU 22 H GLU 22 -5.697 -0.733 1.835 164 HA GLU 22 HA GLU 22 -5.328 0.723 4.376 165 HB2 GLU 22 1HB GLU 22 -5.828 -1.326 5.587 166 HB3 GLU 22 2HB GLU 22 -7.170 -0.926 4.525 167 HG2 GLU 22 1HG GLU 22 -6.508 -2.609 2.955 168 HG3 GLU 22 2HG GLU 22 -5.027 -2.922 3.851 169 H LEU 23 H LEU 23 -3.551 -0.066 5.711 170 HA LEU 23 HA LEU 23 -1.263 -0.834 4.101 171 HB2 LEU 23 1HB LEU 23 -1.534 0.842 6.218 172 HB3 LEU 23 2HB LEU 23 -0.997 -0.611 7.034 173 HG LEU 23 HG LEU 23 1.046 -0.652 5.696 174 HD11 LEU 23 1HD1 LEU 23 -0.287 1.642 4.309 175 HD12 LEU 23 2HD1 LEU 23 0.424 0.180 3.616 176 HD13 LEU 23 3HD1 LEU 23 1.462 1.438 4.288 177 HD21 LEU 23 3HD2 LEU 23 0.497 2.067 6.881 178 HD22 LEU 23 1HD2 LEU 23 2.087 1.372 6.566 179 HD23 LEU 23 2HD2 LEU 23 1.027 0.641 7.772 180 H ILE 24 H ILE 24 -0.656 -2.868 3.848 181 HA ILE 24 HA ILE 24 -1.764 -4.869 5.711 182 HB ILE 24 HB ILE 24 -2.348 -6.265 3.925 183 HG12 ILE 24 1HG1 ILE 24 -1.331 -5.362 1.541 184 HG13 ILE 24 2HG1 ILE 24 0.006 -5.053 2.638 185 HG21 ILE 24 1HG2 ILE 24 -2.496 -3.575 2.605 186 HG22 ILE 24 2HG2 ILE 24 -3.516 -4.040 3.966 187 HG23 ILE 24 3HG2 ILE 24 -3.613 -4.933 2.451 188 HD11 ILE 24 3HD1 ILE 24 -0.011 -7.397 3.319 189 HD12 ILE 24 1HD1 ILE 24 0.226 -7.222 1.580 190 HD13 ILE 24 2HD1 ILE 24 -1.348 -7.705 2.210 191 H ALA 25 H ALA 25 1.053 -3.527 4.414 192 HA ALA 25 HA ALA 25 2.761 -5.234 5.900 193 HB1 ALA 25 3HB ALA 25 2.240 -6.774 4.014 194 HB2 ALA 25 1HB ALA 25 3.951 -6.362 4.138 195 HB3 ALA 25 2HB ALA 25 2.947 -5.596 2.910 196 H LEU 26 H LEU 26 4.988 -4.705 5.619 197 HA LEU 26 HA LEU 26 5.315 -1.952 4.683 198 HB2 LEU 26 1HB LEU 26 5.628 -2.250 7.029 199 HB3 LEU 26 2HB LEU 26 6.757 -3.554 6.789 200 HG LEU 26 HG LEU 26 7.733 -1.366 7.553 201 HD11 LEU 26 1HD1 LEU 26 9.638 -1.382 6.039 202 HD12 LEU 26 2HD1 LEU 26 8.731 -2.379 4.901 203 HD13 LEU 26 3HD1 LEU 26 9.154 -3.014 6.492 204 HD21 LEU 26 3HD2 LEU 26 7.931 0.467 6.036 205 HD22 LEU 26 1HD2 LEU 26 6.223 0.052 6.193 206 HD23 LEU 26 2HD2 LEU 26 7.124 -0.439 4.759 207 H CYS 27 H CYS 27 6.831 -1.487 3.246 208 HA CYS 27 HA CYS 27 7.985 -3.829 1.885 209 HB2 CYS 27 1HB CYS 27 6.735 -1.323 0.780 210 HB3 CYS 27 2HB CYS 27 7.722 -2.386 -0.214 211 HG CYS 27 HG CYS 27 5.693 -4.425 1.119 212 H GLN 28 H GLN 28 9.788 -3.291 0.397 213 HA GLN 28 HA GLN 28 11.882 -1.964 1.761 214 HB2 GLN 28 1HB GLN 28 11.813 -2.762 -1.147 215 HB3 GLN 28 2HB GLN 28 13.241 -2.456 -0.179 216 HG2 GLN 28 1HG GLN 28 13.154 -4.767 -0.320 217 HG3 GLN 28 2HG GLN 28 12.465 -4.422 1.263 218 HE21 GLN 28 1HE2 GLN 28 11.806 -5.487 -1.982 219 HE22 GLN 28 2HE2 GLN 28 10.234 -6.143 -1.670 220 H LYS 29 H LYS 29 13.240 -0.274 0.508 221 HA LYS 29 HA LYS 29 13.454 1.854 -0.301 222 HB2 LYS 29 1HB LYS 29 10.727 1.400 -1.508 223 HB3 LYS 29 2HB LYS 29 11.824 2.707 -1.918 224 HG2 LYS 29 1HG LYS 29 13.331 1.239 -2.978 225 HG3 LYS 29 2HG LYS 29 12.542 -0.182 -2.290 226 HD2 LYS 29 1HD LYS 29 11.237 1.720 -4.233 227 HD3 LYS 29 2HD LYS 29 12.009 0.205 -4.692 228 HE2 LYS 29 1HE LYS 29 10.436 -0.994 -3.190 229 HE3 LYS 29 2HE LYS 29 9.613 0.535 -2.873 230 HZ1 LYS 29 3HZ LYS 29 9.900 -0.743 -5.541 231 HZ2 LYS 29 1HZ LYS 29 9.077 0.698 -5.216 232 HZ3 LYS 29 2HZ LYS 29 8.503 -0.765 -4.589 233 H SER 30 H SER 30 11.680 0.946 2.077 234 HA SER 30 HA SER 30 10.558 1.869 3.808 235 HB2 SER 30 1HB SER 30 12.213 3.750 3.518 236 HB3 SER 30 2HB SER 30 11.023 4.566 2.509 237 HG SER 30 HG SER 30 9.840 5.014 4.225 238 H LEU 31 H LEU 31 9.438 1.282 1.026 239 HA LEU 31 HA LEU 31 7.001 2.793 0.912 240 HB2 LEU 31 1HB LEU 31 8.275 0.573 -0.579 241 HB3 LEU 31 2HB LEU 31 6.564 0.743 -0.746 242 HG LEU 31 HG LEU 31 8.073 1.842 -2.489 243 HD11 LEU 31 1HD1 LEU 31 5.698 2.242 -2.340 244 HD12 LEU 31 2HD1 LEU 31 6.541 3.749 -2.700 245 HD13 LEU 31 3HD1 LEU 31 5.954 3.433 -1.064 246 HD21 LEU 31 3HD2 LEU 31 8.305 3.931 -0.335 247 HD22 LEU 31 1HD2 LEU 31 8.871 4.068 -1.998 248 HD23 LEU 31 2HD2 LEU 31 9.625 2.911 -0.902 249 H LYS 32 H LYS 32 5.049 1.068 0.442 250 HA LYS 32 HA LYS 32 4.851 -0.843 2.626 251 HB2 LYS 32 1HB LYS 32 3.433 1.783 2.563 252 HB3 LYS 32 2HB LYS 32 2.581 0.382 3.191 253 HG2 LYS 32 1HG LYS 32 3.810 0.299 5.075 254 HG3 LYS 32 2HG LYS 32 5.291 0.814 4.256 255 HD2 LYS 32 1HD LYS 32 4.469 3.116 4.203 256 HD3 LYS 32 2HD LYS 32 2.976 2.606 4.995 257 HE2 LYS 32 1HE LYS 32 4.173 1.979 6.976 258 HE3 LYS 32 2HE LYS 32 5.722 2.259 6.183 259 HZ1 LYS 32 3HZ LYS 32 3.690 4.343 6.774 260 HZ2 LYS 32 1HZ LYS 32 5.189 4.601 6.034 261 HZ3 LYS 32 2HZ LYS 32 5.116 4.086 7.642 262 H CYS 33 H CYS 33 3.011 -2.230 2.454 263 HA CYS 33 HA CYS 33 2.081 -2.432 -0.304 264 HB2 CYS 33 1HB CYS 33 3.035 -4.413 0.945 265 HB3 CYS 33 2HB CYS 33 1.600 -4.361 1.964 266 HG CYS 33 HG CYS 33 1.421 -4.742 -1.426 267 H CYS 34 H CYS 34 0.262 -1.464 -0.812 268 HA CYS 34 HA CYS 34 -1.857 -1.311 1.221 269 HB2 CYS 34 1HB CYS 34 -1.390 0.457 -1.191 270 HB3 CYS 34 2HB CYS 34 -2.724 0.616 -0.055 271 HG CYS 34 HG CYS 34 0.529 0.870 0.954 272 H ARG 35 H ARG 35 -3.664 -2.401 0.866 273 HA ARG 35 HA ARG 35 -4.077 -3.581 -1.795 274 HB2 ARG 35 1HB ARG 35 -5.374 -4.290 0.845 275 HB3 ARG 35 2HB ARG 35 -5.668 -5.107 -0.682 276 HG2 ARG 35 1HG ARG 35 -3.411 -5.907 -0.758 277 HG3 ARG 35 2HG ARG 35 -2.986 -4.963 0.666 278 HD2 ARG 35 1HD ARG 35 -4.553 -7.484 0.461 279 HD3 ARG 35 2HD ARG 35 -3.295 -7.046 1.588 280 HE ARG 35 HE ARG 35 -5.510 -5.420 2.090 281 HH11 ARG 35 1HH1 ARG 35 -4.577 -8.780 2.313 282 HH12 ARG 35 2HH1 ARG 35 -5.668 -9.128 3.615 283 HH21 ARG 35 1HH2 ARG 35 -6.960 -5.874 3.817 284 HH22 ARG 35 2HH2 ARG 35 -7.011 -7.490 4.463 285 H THR 36 H THR 36 -5.615 -2.823 -3.062 286 HA THR 36 HA THR 36 -7.338 -0.705 -2.182 287 HB THR 36 HB THR 36 -7.542 -2.170 -4.814 288 HG1 THR 36 HG1 THR 36 -5.551 -0.452 -3.852 289 HG21 THR 36 1HG2 THR 36 -9.326 -0.560 -4.267 290 HG22 THR 36 2HG2 THR 36 -8.349 -0.015 -5.629 291 HG23 THR 36 3HG2 THR 36 -8.112 0.699 -4.034 292 H ILE 37 H ILE 37 -9.048 -1.104 -1.013 293 HA ILE 37 HA ILE 37 -10.148 -3.693 -0.674 294 HB ILE 37 HB ILE 37 -11.251 -1.032 0.221 295 HG12 ILE 37 1HG1 ILE 37 -8.986 -1.258 0.990 296 HG13 ILE 37 2HG1 ILE 37 -10.046 -1.603 2.347 297 HG21 ILE 37 1HG2 ILE 37 -12.347 -2.356 1.975 298 HG22 ILE 37 2HG2 ILE 37 -11.727 -3.834 1.239 299 HG23 ILE 37 3HG2 ILE 37 -12.886 -2.831 0.365 300 HD11 ILE 37 3HD1 ILE 37 -8.298 -3.201 2.391 301 HD12 ILE 37 1HD1 ILE 37 -8.502 -3.560 0.676 302 HD13 ILE 37 2HD1 ILE 37 -9.742 -4.038 1.830 303 H GLN 38 H GLN 38 -11.065 -4.534 -2.393 304 HA GLN 38 HA GLN 38 -13.347 -3.129 -3.608 305 HB2 GLN 38 1HB GLN 38 -11.792 -5.507 -4.662 306 HB3 GLN 38 2HB GLN 38 -13.077 -4.649 -5.503 307 HG2 GLN 38 1HG GLN 38 -11.725 -2.678 -5.685 308 HG3 GLN 38 2HG GLN 38 -10.469 -3.398 -4.680 309 HE21 GLN 38 1HE2 GLN 38 -10.270 -2.344 -7.372 310 HE22 GLN 38 2HE2 GLN 38 -9.712 -3.646 -8.368 311 HA PRO 39 HA PRO 39 -15.998 -5.756 -1.187 312 HB2 PRO 39 1HB PRO 39 -17.673 -5.621 -3.661 313 HB3 PRO 39 2HB PRO 39 -18.133 -5.351 -1.975 314 HG2 PRO 39 1HG PRO 39 -17.785 -3.294 -3.620 315 HG3 PRO 39 2HG PRO 39 -17.241 -3.210 -1.935 316 HD2 PRO 39 1HD PRO 39 -15.644 -3.558 -4.426 317 HD3 PRO 39 2HD PRO 39 -15.223 -2.719 -2.921 318 H SER 40 H SER 40 -15.541 -7.830 -0.934 319 HA SER 40 HA SER 40 -15.622 -9.626 -3.262 320 HB2 SER 40 1HB SER 40 -13.492 -9.681 -1.106 321 HB3 SER 40 2HB SER 40 -13.573 -10.710 -2.535 322 HG SER 40 HG SER 40 -13.361 -7.876 -2.636 323 H GLY 41 H GLY 41 -15.792 -11.935 -2.595 324 HA2 GLY 41 1HA GLY 41 -17.486 -12.317 -0.296 325 HA3 GLY 41 2HA GLY 41 -16.869 -13.576 -1.365 326 H SER 42 H SER 42 -16.783 -12.559 1.715 327 HA SER 42 HA SER 42 -15.417 -12.789 3.504 328 HB2 SER 42 1HB SER 42 -15.126 -15.108 2.603 329 HB3 SER 42 2HB SER 42 -13.715 -14.546 1.712 330 HG SER 42 HG SER 42 -12.847 -15.291 3.536 331 H ILE 43 H ILE 43 -12.727 -12.785 3.858 332 HA ILE 43 HA ILE 43 -10.871 -11.484 3.895 333 HB ILE 43 HB ILE 43 -11.706 -10.409 1.194 334 HG12 ILE 43 1HG1 ILE 43 -9.876 -12.736 1.854 335 HG13 ILE 43 2HG1 ILE 43 -11.504 -12.887 1.200 336 HG21 ILE 43 1HG2 ILE 43 -9.323 -9.890 0.947 337 HG22 ILE 43 2HG2 ILE 43 -9.027 -10.480 2.582 338 HG23 ILE 43 3HG2 ILE 43 -10.030 -9.053 2.328 339 HD11 ILE 43 3HD1 ILE 43 -9.823 -13.172 -0.527 340 HD12 ILE 43 1HD1 ILE 43 -9.167 -11.574 -0.169 341 HD13 ILE 43 2HD1 ILE 43 -10.796 -11.732 -0.827 342 H ILE 44 H ILE 44 -13.141 -9.365 2.128 343 HA ILE 44 HA ILE 44 -13.706 -7.713 4.355 344 HB ILE 44 HB ILE 44 -11.314 -7.088 4.007 345 HG12 ILE 44 1HG1 ILE 44 -13.220 -4.834 3.343 346 HG13 ILE 44 2HG1 ILE 44 -13.023 -5.513 4.953 347 HG21 ILE 44 1HG2 ILE 44 -10.658 -5.817 2.043 348 HG22 ILE 44 2HG2 ILE 44 -12.276 -5.991 1.367 349 HG23 ILE 44 3HG2 ILE 44 -11.251 -7.413 1.576 350 HD11 ILE 44 3HD1 ILE 44 -10.927 -4.080 3.341 351 HD12 ILE 44 1HD1 ILE 44 -10.656 -4.833 4.912 352 HD13 ILE 44 2HD1 ILE 44 -11.769 -3.477 4.764 353 H ASP 45 H ASP 45 -15.073 -5.909 3.772 354 HA ASP 45 HA ASP 45 -16.242 -6.168 1.082 355 HB2 ASP 45 1HB ASP 45 -17.567 -5.239 3.640 356 HB3 ASP 45 2HB ASP 45 -18.333 -5.289 2.059 Start of MODEL 10 1 H PHE 1 1H PHE 1 9.824 -13.032 -2.228 2 HA PHE 1 HA PHE 1 7.575 -13.388 -1.481 3 HB2 PHE 1 1HB PHE 1 9.335 -14.080 0.019 4 HB3 PHE 1 2HB PHE 1 9.520 -12.443 0.634 5 HD1 PHE 1 HD2 PHE 1 6.800 -14.975 0.236 6 HD2 PHE 1 HD1 PHE 1 8.620 -12.014 2.692 7 HE1 PHE 1 HE2 PHE 1 5.170 -15.455 2.017 8 HE2 PHE 1 HE1 PHE 1 6.994 -12.486 4.476 9 HZ PHE 1 HZ PHE 1 5.267 -14.210 4.139 10 H PHE 2 H PHE 2 8.833 -10.234 -0.359 11 HA PHE 2 HA PHE 2 6.588 -9.391 1.021 12 HB2 PHE 2 1HB PHE 2 8.631 -7.764 -0.487 13 HB3 PHE 2 2HB PHE 2 7.402 -7.053 0.551 14 HD1 PHE 2 HD2 PHE 2 7.327 -8.723 2.872 15 HD2 PHE 2 HD1 PHE 2 10.680 -7.561 0.522 16 HE1 PHE 2 HE2 PHE 2 8.795 -9.041 4.819 17 HE2 PHE 2 HE1 PHE 2 12.154 -7.877 2.465 18 HZ PHE 2 HZ PHE 2 11.211 -8.617 4.617 19 H ASP 3 H ASP 3 7.389 -8.482 -2.368 20 HA ASP 3 HA ASP 3 4.669 -7.520 -2.594 21 HB2 ASP 3 1HB ASP 3 5.249 -6.594 -4.729 22 HB3 ASP 3 2HB ASP 3 6.435 -6.117 -3.526 23 H GLU 4 H GLU 4 5.961 -10.453 -2.855 24 HA GLU 4 HA GLU 4 4.354 -11.418 -5.035 25 HB2 GLU 4 1HB GLU 4 6.261 -12.744 -4.176 26 HB3 GLU 4 2HB GLU 4 5.435 -12.918 -2.633 27 HG2 GLU 4 1HG GLU 4 3.603 -14.098 -3.779 28 HG3 GLU 4 2HG GLU 4 4.504 -13.982 -5.290 29 H LYS 5 H LYS 5 4.109 -11.191 -1.532 30 HA LYS 5 HA LYS 5 1.427 -12.012 -1.277 31 HB2 LYS 5 1HB LYS 5 3.175 -11.654 0.562 32 HB3 LYS 5 2HB LYS 5 2.797 -9.944 0.440 33 HG2 LYS 5 1HG LYS 5 1.591 -10.927 2.280 34 HG3 LYS 5 2HG LYS 5 0.459 -10.437 1.018 35 HD2 LYS 5 1HD LYS 5 0.092 -12.651 0.330 36 HD3 LYS 5 2HD LYS 5 1.524 -13.241 1.175 37 HE2 LYS 5 1HE LYS 5 -0.502 -13.892 2.353 38 HE3 LYS 5 2HE LYS 5 0.450 -12.775 3.321 39 HZ1 LYS 5 3HZ LYS 5 -1.936 -12.048 1.712 40 HZ2 LYS 5 1HZ LYS 5 -1.034 -10.992 2.677 41 HZ3 LYS 5 2HZ LYS 5 -1.909 -12.251 3.386 42 H CYS 6 H CYS 6 2.982 -8.948 -2.032 43 HA CYS 6 HA CYS 6 0.724 -7.283 -1.972 44 HB2 CYS 6 1HB CYS 6 3.135 -6.560 -2.149 45 HB3 CYS 6 2HB CYS 6 3.107 -7.064 -3.834 46 HG CYS 6 HG CYS 6 1.205 -5.175 -4.609 47 H ASN 7 H ASN 7 2.064 -9.355 -4.492 48 HA ASN 7 HA ASN 7 0.316 -8.593 -6.581 49 HB2 ASN 7 1HB ASN 7 2.483 -9.857 -6.819 50 HB3 ASN 7 2HB ASN 7 1.651 -11.279 -6.213 51 HD21 ASN 7 1HD2 ASN 7 0.290 -12.405 -7.544 52 HD22 ASN 7 2HD2 ASN 7 0.091 -12.043 -9.224 53 H LYS 8 H LYS 8 0.198 -11.100 -4.123 54 HA LYS 8 HA LYS 8 -2.076 -12.471 -4.916 55 HB2 LYS 8 1HB LYS 8 -0.987 -11.892 -2.162 56 HB3 LYS 8 2HB LYS 8 -2.264 -13.040 -2.492 57 HG2 LYS 8 1HG LYS 8 0.513 -13.203 -3.620 58 HG3 LYS 8 2HG LYS 8 -0.069 -14.107 -2.221 59 HD2 LYS 8 1HD LYS 8 -1.726 -15.222 -3.599 60 HD3 LYS 8 2HD LYS 8 -1.234 -14.270 -4.997 61 HE2 LYS 8 1HE LYS 8 -0.256 -16.475 -5.119 62 HE3 LYS 8 2HE LYS 8 1.005 -15.270 -4.870 63 HZ1 LYS 8 3HZ LYS 8 1.295 -17.257 -3.490 64 HZ2 LYS 8 1HZ LYS 8 -0.181 -16.944 -2.725 65 HZ3 LYS 8 2HZ LYS 8 1.105 -15.861 -2.555 66 H LEU 9 H LEU 9 -1.764 -9.506 -3.016 67 HA LEU 9 HA LEU 9 -4.650 -9.338 -2.691 68 HB2 LEU 9 1HB LEU 9 -2.358 -7.684 -1.672 69 HB3 LEU 9 2HB LEU 9 -4.011 -7.132 -1.535 70 HG LEU 9 HG LEU 9 -3.418 -8.085 0.554 71 HD11 LEU 9 1HD1 LEU 9 -5.021 -9.871 0.809 72 HD12 LEU 9 2HD1 LEU 9 -5.045 -10.134 -0.933 73 HD13 LEU 9 3HD1 LEU 9 -5.666 -8.625 -0.261 74 HD21 LEU 9 3HD2 LEU 9 -1.484 -9.383 -0.234 75 HD22 LEU 9 1HD2 LEU 9 -2.588 -10.590 -0.894 76 HD23 LEU 9 2HD2 LEU 9 -2.531 -10.305 0.846 77 H LYS 10 H LYS 10 -2.475 -8.545 -5.035 78 HA LYS 10 HA LYS 10 -2.517 -7.283 -6.901 79 HB2 LYS 10 1HB LYS 10 -5.416 -7.220 -6.156 80 HB3 LYS 10 2HB LYS 10 -4.833 -6.217 -7.474 81 HG2 LYS 10 1HG LYS 10 -5.623 -8.189 -8.468 82 HG3 LYS 10 2HG LYS 10 -3.865 -8.313 -8.482 83 HD2 LYS 10 1HD LYS 10 -4.762 -10.435 -7.840 84 HD3 LYS 10 2HD LYS 10 -4.012 -9.704 -6.422 85 HE2 LYS 10 1HE LYS 10 -6.166 -9.044 -5.566 86 HE3 LYS 10 2HE LYS 10 -6.963 -9.601 -7.037 87 HZ1 LYS 10 3HZ LYS 10 -6.284 -11.854 -6.515 88 HZ2 LYS 10 1HZ LYS 10 -7.179 -11.198 -5.239 89 HZ3 LYS 10 2HZ LYS 10 -5.498 -11.324 -5.111 90 H GLY 11 H GLY 11 -1.868 -6.124 -4.308 91 HA2 GLY 11 1HA GLY 11 -2.651 -3.321 -4.689 92 HA3 GLY 11 2HA GLY 11 -1.867 -3.988 -3.261 93 H THR 12 H THR 12 -0.506 -1.995 -3.687 94 HA THR 12 HA THR 12 1.863 -2.878 -5.096 95 HB THR 12 HB THR 12 0.657 -1.687 -6.846 96 HG1 THR 12 HG1 THR 12 2.502 -0.944 -7.503 97 HG21 THR 12 1HG2 THR 12 -0.654 -0.168 -5.456 98 HG22 THR 12 2HG2 THR 12 0.248 0.718 -6.685 99 HG23 THR 12 3HG2 THR 12 0.816 0.698 -5.014 100 H CYS 13 H CYS 13 3.731 -1.651 -4.590 101 HA CYS 13 HA CYS 13 3.683 -0.830 -1.826 102 HB2 CYS 13 1HB CYS 13 6.069 -0.704 -3.673 103 HB3 CYS 13 2HB CYS 13 6.059 -0.800 -1.920 104 HG CYS 13 HG CYS 13 4.929 -3.332 -3.924 105 H LYS 14 H LYS 14 2.826 1.073 -1.458 106 HA LYS 14 HA LYS 14 4.001 3.413 -2.789 107 HB2 LYS 14 1HB LYS 14 1.766 4.531 -2.599 108 HB3 LYS 14 2HB LYS 14 1.800 3.197 -3.744 109 HG2 LYS 14 1HG LYS 14 0.720 1.746 -2.146 110 HG3 LYS 14 2HG LYS 14 0.773 3.013 -0.921 111 HD2 LYS 14 1HD LYS 14 -1.444 2.878 -1.895 112 HD3 LYS 14 2HD LYS 14 -0.680 4.412 -2.318 113 HE2 LYS 14 1HE LYS 14 -0.190 3.631 -4.529 114 HE3 LYS 14 2HE LYS 14 -0.697 1.993 -4.119 115 HZ1 LYS 14 3HZ LYS 14 -2.954 2.784 -3.834 116 HZ2 LYS 14 1HZ LYS 14 -2.389 3.176 -5.380 117 HZ3 LYS 14 2HZ LYS 14 -2.476 4.369 -4.193 118 H ASN 15 H ASN 15 3.500 5.444 -1.367 119 HA ASN 15 HA ASN 15 4.354 4.727 1.296 120 HB2 ASN 15 1HB ASN 15 4.070 7.363 -0.137 121 HB3 ASN 15 2HB ASN 15 4.516 7.246 1.555 122 HD21 ASN 15 1HD2 ASN 15 6.511 6.260 2.100 123 HD22 ASN 15 2HD2 ASN 15 7.792 6.167 0.942 124 H ASN 16 H ASN 16 1.766 6.682 -0.148 125 HA ASN 16 HA ASN 16 0.259 6.486 2.370 126 HB2 ASN 16 1HB ASN 16 -0.037 8.387 0.031 127 HB3 ASN 16 2HB ASN 16 -1.080 8.374 1.449 128 HD21 ASN 16 1HD2 ASN 16 2.142 8.999 0.272 129 HD22 ASN 16 2HD2 ASN 16 2.644 9.983 1.606 130 H CYS 17 H CYS 17 -1.625 5.395 2.440 131 HA CYS 17 HA CYS 17 -2.350 3.728 0.246 132 HB2 CYS 17 1HB CYS 17 -3.971 4.316 2.728 133 HB3 CYS 17 2HB CYS 17 -4.114 2.915 1.677 134 HG CYS 17 HG CYS 17 -1.136 2.572 2.431 135 H GLY 18 H GLY 18 -3.892 3.981 -1.261 136 HA2 GLY 18 1HA GLY 18 -5.036 6.640 -1.527 137 HA3 GLY 18 2HA GLY 18 -4.995 5.391 -2.760 138 H LYS 19 H LYS 19 -7.191 5.944 -3.162 139 HA LYS 19 HA LYS 19 -9.304 5.817 -1.398 140 HB2 LYS 19 1HB LYS 19 -10.609 5.040 -3.524 141 HB3 LYS 19 2HB LYS 19 -9.896 6.643 -3.467 142 HG2 LYS 19 1HG LYS 19 -9.375 5.846 -5.594 143 HG3 LYS 19 2HG LYS 19 -7.895 5.607 -4.672 144 HD2 LYS 19 1HD LYS 19 -8.727 3.234 -4.264 145 HD3 LYS 19 2HD LYS 19 -9.918 3.557 -5.526 146 HE2 LYS 19 1HE LYS 19 -7.981 2.431 -6.454 147 HE3 LYS 19 2HE LYS 19 -8.104 4.068 -7.092 148 HZ1 LYS 19 3HZ LYS 19 -5.828 3.447 -6.463 149 HZ2 LYS 19 1HZ LYS 19 -6.316 3.258 -4.854 150 HZ3 LYS 19 2HZ LYS 19 -6.385 4.781 -5.591 151 H ASN 20 H ASN 20 -10.191 4.306 -0.221 152 HA ASN 20 HA ASN 20 -10.830 2.304 0.631 153 HB2 ASN 20 1HB ASN 20 -10.668 1.565 -2.287 154 HB3 ASN 20 2HB ASN 20 -11.182 0.418 -1.056 155 HD21 ASN 20 1HD2 ASN 20 -13.211 0.241 -1.989 156 HD22 ASN 20 2HD2 ASN 20 -14.400 1.491 -1.856 157 H GLU 21 H GLU 21 -7.879 2.955 0.222 158 HA GLU 21 HA GLU 21 -6.847 0.206 0.223 159 HB2 GLU 21 1HB GLU 21 -5.505 2.840 -0.371 160 HB3 GLU 21 2HB GLU 21 -4.625 1.330 -0.192 161 HG2 GLU 21 1HG GLU 21 -5.785 0.379 -2.078 162 HG3 GLU 21 2HG GLU 21 -6.805 1.811 -2.209 163 H GLU 22 H GLU 22 -5.778 -0.598 1.916 164 HA GLU 22 HA GLU 22 -5.039 1.238 4.082 165 HB2 GLU 22 1HB GLU 22 -5.556 -0.759 5.628 166 HB3 GLU 22 2HB GLU 22 -6.889 0.222 5.048 167 HG2 GLU 22 1HG GLU 22 -7.454 -1.449 3.409 168 HG3 GLU 22 2HG GLU 22 -6.046 -2.411 3.855 169 H LEU 23 H LEU 23 -3.385 0.330 5.535 170 HA LEU 23 HA LEU 23 -1.186 -0.574 3.934 171 HB2 LEU 23 1HB LEU 23 -1.415 1.035 6.112 172 HB3 LEU 23 2HB LEU 23 -0.900 -0.455 6.873 173 HG LEU 23 HG LEU 23 1.161 -0.469 5.622 174 HD11 LEU 23 1HD1 LEU 23 0.547 0.243 3.487 175 HD12 LEU 23 2HD1 LEU 23 1.605 1.520 4.099 176 HD13 LEU 23 3HD1 LEU 23 -0.144 1.752 4.092 177 HD21 LEU 23 3HD2 LEU 23 0.557 2.296 6.658 178 HD22 LEU 23 1HD2 LEU 23 2.164 1.625 6.382 179 HD23 LEU 23 2HD2 LEU 23 1.116 0.927 7.616 180 H ILE 24 H ILE 24 -0.559 -2.619 3.651 181 HA ILE 24 HA ILE 24 -1.754 -4.644 5.416 182 HB ILE 24 HB ILE 24 -2.163 -6.027 3.632 183 HG12 ILE 24 1HG1 ILE 24 -0.593 -4.875 1.488 184 HG13 ILE 24 2HG1 ILE 24 0.432 -5.327 2.846 185 HG21 ILE 24 1HG2 ILE 24 -2.882 -4.627 1.676 186 HG22 ILE 24 2HG2 ILE 24 -2.179 -3.242 2.505 187 HG23 ILE 24 3HG2 ILE 24 -3.515 -4.123 3.240 188 HD11 ILE 24 3HD1 ILE 24 -1.498 -7.122 1.403 189 HD12 ILE 24 1HD1 ILE 24 -0.505 -7.580 2.788 190 HD13 ILE 24 2HD1 ILE 24 0.261 -7.139 1.260 191 H ALA 25 H ALA 25 1.233 -3.473 4.029 192 HA ALA 25 HA ALA 25 2.746 -5.274 5.704 193 HB1 ALA 25 3HB ALA 25 2.238 -6.716 3.766 194 HB2 ALA 25 1HB ALA 25 3.963 -6.395 3.939 195 HB3 ALA 25 2HB ALA 25 3.028 -5.544 2.712 196 H LEU 26 H LEU 26 4.968 -4.892 5.682 197 HA LEU 26 HA LEU 26 5.635 -2.126 5.012 198 HB2 LEU 26 1HB LEU 26 6.839 -4.166 6.868 199 HB3 LEU 26 2HB LEU 26 7.573 -2.598 6.567 200 HG LEU 26 HG LEU 26 4.837 -3.047 7.772 201 HD11 LEU 26 1HD1 LEU 26 5.872 -2.273 9.853 202 HD12 LEU 26 2HD1 LEU 26 7.442 -2.241 9.054 203 HD13 LEU 26 3HD1 LEU 26 6.597 -3.773 9.275 204 HD21 LEU 26 3HD2 LEU 26 4.929 -0.952 6.578 205 HD22 LEU 26 1HD2 LEU 26 6.455 -0.536 7.357 206 HD23 LEU 26 2HD2 LEU 26 4.977 -0.641 8.312 207 H CYS 27 H CYS 27 6.669 -1.857 3.153 208 HA CYS 27 HA CYS 27 8.124 -4.104 1.986 209 HB2 CYS 27 1HB CYS 27 7.115 -1.514 0.798 210 HB3 CYS 27 2HB CYS 27 7.991 -2.739 -0.109 211 HG CYS 27 HG CYS 27 5.672 -3.563 -0.943 212 H GLN 28 H GLN 28 10.105 -3.533 0.723 213 HA GLN 28 HA GLN 28 11.903 -2.024 2.382 214 HB2 GLN 28 1HB GLN 28 12.381 -3.409 -0.250 215 HB3 GLN 28 2HB GLN 28 13.629 -2.745 0.788 216 HG2 GLN 28 1HG GLN 28 11.749 -4.976 1.528 217 HG3 GLN 28 2HG GLN 28 13.430 -5.167 1.035 218 HE21 GLN 28 1HE2 GLN 28 15.061 -4.622 2.455 219 HE22 GLN 28 2HE2 GLN 28 14.776 -4.308 4.132 220 H LYS 29 H LYS 29 13.530 -0.577 1.112 221 HA LYS 29 HA LYS 29 13.877 1.475 0.183 222 HB2 LYS 29 1HB LYS 29 11.463 0.775 -1.492 223 HB3 LYS 29 2HB LYS 29 12.501 2.166 -1.768 224 HG2 LYS 29 1HG LYS 29 14.368 0.730 -2.278 225 HG3 LYS 29 2HG LYS 29 13.423 -0.700 -1.859 226 HD2 LYS 29 1HD LYS 29 12.707 1.217 -4.075 227 HD3 LYS 29 2HD LYS 29 13.613 -0.277 -4.312 228 HE2 LYS 29 1HE LYS 29 10.826 -0.084 -3.163 229 HE3 LYS 29 2HE LYS 29 11.220 -0.540 -4.819 230 HZ1 LYS 29 3HZ LYS 29 10.813 -2.479 -3.451 231 HZ2 LYS 29 1HZ LYS 29 12.038 -2.023 -2.382 232 HZ3 LYS 29 2HZ LYS 29 12.422 -2.457 -3.967 233 H SER 30 H SER 30 11.682 0.727 2.235 234 HA SER 30 HA SER 30 10.577 1.867 3.833 235 HB2 SER 30 1HB SER 30 11.228 4.372 2.275 236 HB3 SER 30 2HB SER 30 10.624 4.300 3.931 237 HG SER 30 HG SER 30 12.756 2.718 3.757 238 H LEU 31 H LEU 31 9.564 1.372 0.807 239 HA LEU 31 HA LEU 31 7.065 2.758 0.866 240 HB2 LEU 31 1HB LEU 31 8.187 0.487 -0.761 241 HB3 LEU 31 2HB LEU 31 6.500 0.927 -0.875 242 HG LEU 31 HG LEU 31 7.928 1.883 -2.652 243 HD11 LEU 31 1HD1 LEU 31 6.979 4.141 -2.537 244 HD12 LEU 31 2HD1 LEU 31 6.572 3.873 -0.840 245 HD13 LEU 31 3HD1 LEU 31 5.805 2.903 -2.097 246 HD21 LEU 31 3HD2 LEU 31 9.354 3.792 -2.166 247 HD22 LEU 31 1HD2 LEU 31 9.943 2.327 -1.382 248 HD23 LEU 31 2HD2 LEU 31 9.090 3.548 -0.439 249 H LYS 32 H LYS 32 4.976 1.511 0.852 250 HA LYS 32 HA LYS 32 5.067 -0.881 2.561 251 HB2 LYS 32 1HB LYS 32 3.275 1.520 2.870 252 HB3 LYS 32 2HB LYS 32 2.846 -0.053 3.522 253 HG2 LYS 32 1HG LYS 32 3.771 0.993 5.336 254 HG3 LYS 32 2HG LYS 32 5.145 0.086 4.697 255 HD2 LYS 32 1HD LYS 32 5.863 2.133 3.476 256 HD3 LYS 32 2HD LYS 32 4.567 3.017 4.284 257 HE2 LYS 32 1HE LYS 32 5.549 2.549 6.442 258 HE3 LYS 32 2HE LYS 32 6.800 1.559 5.690 259 HZ1 LYS 32 3HZ LYS 32 6.420 4.482 5.344 260 HZ2 LYS 32 1HZ LYS 32 7.561 3.554 4.506 261 HZ3 LYS 32 2HZ LYS 32 7.671 3.717 6.186 262 H CYS 33 H CYS 33 3.157 -2.249 2.334 263 HA CYS 33 HA CYS 33 2.230 -2.168 -0.433 264 HB2 CYS 33 1HB CYS 33 3.169 -4.279 0.521 265 HB3 CYS 33 2HB CYS 33 1.821 -4.320 1.651 266 HG CYS 33 HG CYS 33 1.559 -4.534 -1.752 267 H CYS 34 H CYS 34 0.405 -1.141 -0.834 268 HA CYS 34 HA CYS 34 -1.709 -1.193 1.213 269 HB2 CYS 34 1HB CYS 34 -1.357 0.739 -1.094 270 HB3 CYS 34 2HB CYS 34 -2.603 0.820 0.147 271 HG CYS 34 HG CYS 34 0.645 0.907 1.126 272 H ARG 35 H ARG 35 -3.610 -2.171 0.727 273 HA ARG 35 HA ARG 35 -3.913 -3.103 -2.051 274 HB2 ARG 35 1HB ARG 35 -4.788 -5.147 -1.353 275 HB3 ARG 35 2HB ARG 35 -3.471 -4.863 -0.233 276 HG2 ARG 35 1HG ARG 35 -5.305 -3.896 1.316 277 HG3 ARG 35 2HG ARG 35 -6.420 -4.761 0.254 278 HD2 ARG 35 1HD ARG 35 -4.846 -6.777 0.647 279 HD3 ARG 35 2HD ARG 35 -4.255 -5.855 2.014 280 HE ARG 35 HE ARG 35 -6.721 -7.279 1.830 281 HH11 ARG 35 1HH1 ARG 35 -5.230 -4.494 3.335 282 HH12 ARG 35 2HH1 ARG 35 -6.188 -4.594 4.778 283 HH21 ARG 35 1HH2 ARG 35 -7.927 -7.466 3.739 284 HH22 ARG 35 2HH2 ARG 35 -7.719 -6.302 5.011 285 H THR 36 H THR 36 -5.874 -2.954 -3.023 286 HA THR 36 HA THR 36 -7.605 -0.903 -1.969 287 HB THR 36 HB THR 36 -8.052 -2.450 -4.520 288 HG1 THR 36 HG1 THR 36 -5.913 -0.930 -3.890 289 HG21 THR 36 1HG2 THR 36 -9.839 -0.941 -3.811 290 HG22 THR 36 2HG2 THR 36 -9.045 -0.326 -5.261 291 HG23 THR 36 3HG2 THR 36 -8.684 0.385 -3.688 292 H ILE 37 H ILE 37 -9.108 -1.422 -0.564 293 HA ILE 37 HA ILE 37 -10.210 -3.962 -0.116 294 HB ILE 37 HB ILE 37 -11.126 -1.198 0.632 295 HG12 ILE 37 1HG1 ILE 37 -8.943 -2.547 1.387 296 HG13 ILE 37 2HG1 ILE 37 -9.813 -1.467 2.479 297 HG21 ILE 37 1HG2 ILE 37 -13.075 -2.658 0.630 298 HG22 ILE 37 2HG2 ILE 37 -12.591 -2.282 2.284 299 HG23 ILE 37 3HG2 ILE 37 -12.199 -3.852 1.588 300 HD11 ILE 37 3HD1 ILE 37 -9.138 -3.714 3.376 301 HD12 ILE 37 1HD1 ILE 37 -10.342 -4.401 2.282 302 HD13 ILE 37 2HD1 ILE 37 -10.844 -3.291 3.560 303 H GLN 38 H GLN 38 -11.402 -5.038 -1.499 304 HA GLN 38 HA GLN 38 -13.333 -3.570 -3.158 305 HB2 GLN 38 1HB GLN 38 -11.935 -6.193 -3.690 306 HB3 GLN 38 2HB GLN 38 -13.190 -5.510 -4.715 307 HG2 GLN 38 1HG GLN 38 -11.790 -3.554 -5.127 308 HG3 GLN 38 2HG GLN 38 -10.529 -4.243 -4.105 309 HE21 GLN 38 1HE2 GLN 38 -12.208 -4.468 -7.131 310 HE22 GLN 38 2HE2 GLN 38 -11.075 -5.510 -7.915 311 HA PRO 39 HA PRO 39 -16.435 -5.652 -0.735 312 HB2 PRO 39 1HB PRO 39 -18.276 -4.845 -2.876 313 HB3 PRO 39 2HB PRO 39 -18.276 -4.400 -1.169 314 HG2 PRO 39 1HG PRO 39 -17.613 -2.640 -3.079 315 HG3 PRO 39 2HG PRO 39 -16.827 -2.634 -1.489 316 HD2 PRO 39 1HD PRO 39 -15.829 -3.732 -4.093 317 HD3 PRO 39 2HD PRO 39 -14.961 -2.806 -2.848 318 H SER 40 H SER 40 -16.600 -7.784 -0.766 319 HA SER 40 HA SER 40 -17.895 -9.101 -2.994 320 HB2 SER 40 1HB SER 40 -15.141 -9.959 -2.062 321 HB3 SER 40 2HB SER 40 -16.143 -10.823 -3.226 322 HG SER 40 HG SER 40 -15.958 -8.300 -4.022 323 H GLY 41 H GLY 41 -17.323 -11.758 -2.112 324 HA2 GLY 41 1HA GLY 41 -19.155 -12.070 -0.004 325 HA3 GLY 41 2HA GLY 41 -18.041 -13.301 -0.573 326 H SER 42 H SER 42 -18.966 -11.777 2.098 327 HA SER 42 HA SER 42 -18.096 -11.378 4.158 328 HB2 SER 42 1HB SER 42 -17.059 -13.695 3.683 329 HB3 SER 42 2HB SER 42 -15.576 -12.813 3.304 330 HG SER 42 HG SER 42 -16.992 -12.739 5.768 331 H ILE 43 H ILE 43 -15.159 -11.136 4.600 332 HA ILE 43 HA ILE 43 -14.827 -8.374 3.856 333 HB ILE 43 HB ILE 43 -12.553 -8.713 4.958 334 HG12 ILE 43 1HG1 ILE 43 -13.747 -11.248 6.039 335 HG13 ILE 43 2HG1 ILE 43 -12.803 -11.289 4.553 336 HG21 ILE 43 1HG2 ILE 43 -15.047 -9.294 6.554 337 HG22 ILE 43 2HG2 ILE 43 -14.431 -7.700 6.124 338 HG23 ILE 43 3HG2 ILE 43 -13.514 -8.732 7.220 339 HD11 ILE 43 3HD1 ILE 43 -11.861 -10.337 7.255 340 HD12 ILE 43 1HD1 ILE 43 -10.900 -10.328 5.777 341 HD13 ILE 43 2HD1 ILE 43 -11.436 -11.857 6.470 342 H ILE 44 H ILE 44 -12.432 -7.857 3.151 343 HA ILE 44 HA ILE 44 -11.988 -9.008 0.569 344 HB ILE 44 HB ILE 44 -11.496 -6.679 0.862 345 HG12 ILE 44 1HG1 ILE 44 -8.824 -8.090 0.712 346 HG13 ILE 44 2HG1 ILE 44 -9.954 -7.972 -0.633 347 HG21 ILE 44 1HG2 ILE 44 -9.578 -6.020 2.396 348 HG22 ILE 44 2HG2 ILE 44 -9.791 -7.605 3.143 349 HG23 ILE 44 3HG2 ILE 44 -11.117 -6.441 3.148 350 HD11 ILE 44 3HD1 ILE 44 -8.027 -6.310 -0.558 351 HD12 ILE 44 1HD1 ILE 44 -8.900 -5.520 0.761 352 HD13 ILE 44 2HD1 ILE 44 -9.642 -5.664 -0.837 353 H ASP 45 H ASP 45 -10.796 -10.758 0.113 354 HA ASP 45 HA ASP 45 -9.257 -11.965 2.285 355 HB2 ASP 45 1HB ASP 45 -9.346 -14.041 1.006 356 HB3 ASP 45 2HB ASP 45 -10.962 -13.381 1.207 Start of MODEL 11 1 H PHE 1 1H PHE 1 10.706 -10.567 -1.248 2 HA PHE 1 HA PHE 1 8.899 -12.753 -0.417 3 HB2 PHE 1 1HB PHE 1 10.959 -12.717 0.901 4 HB3 PHE 1 2HB PHE 1 10.755 -10.995 1.206 5 HD1 PHE 1 HD1 PHE 1 9.355 -14.340 1.887 6 HD2 PHE 1 HD2 PHE 1 9.350 -10.217 2.942 7 HE1 PHE 1 HE1 PHE 1 8.054 -14.862 3.909 8 HE2 PHE 1 HE2 PHE 1 8.049 -10.732 4.964 9 HZ PHE 1 HZ PHE 1 7.400 -13.057 5.449 10 H PHE 2 H PHE 2 9.667 -9.280 -0.067 11 HA PHE 2 HA PHE 2 7.339 -8.670 1.368 12 HB2 PHE 2 1HB PHE 2 9.187 -6.910 -0.238 13 HB3 PHE 2 2HB PHE 2 7.876 -6.287 0.759 14 HD1 PHE 2 HD1 PHE 2 7.955 -6.516 3.194 15 HD2 PHE 2 HD2 PHE 2 11.204 -7.738 0.742 16 HE1 PHE 2 HE1 PHE 2 9.417 -6.575 5.171 17 HE2 PHE 2 HE2 PHE 2 12.672 -7.806 2.714 18 HZ PHE 2 HZ PHE 2 11.780 -7.222 4.932 19 H ASP 3 H ASP 3 8.028 -8.349 -2.123 20 HA ASP 3 HA ASP 3 5.268 -7.537 -2.489 21 HB2 ASP 3 1HB ASP 3 5.770 -7.083 -4.785 22 HB3 ASP 3 2HB ASP 3 6.978 -6.327 -3.760 23 H GLU 4 H GLU 4 6.810 -10.397 -2.229 24 HA GLU 4 HA GLU 4 5.300 -11.974 -4.045 25 HB2 GLU 4 1HB GLU 4 7.260 -12.815 -2.704 26 HB3 GLU 4 2HB GLU 4 6.261 -12.729 -1.265 27 HG2 GLU 4 1HG GLU 4 5.529 -14.419 -3.636 28 HG3 GLU 4 2HG GLU 4 6.556 -15.004 -2.331 29 H LYS 5 H LYS 5 4.870 -10.880 -0.738 30 HA LYS 5 HA LYS 5 2.208 -11.735 -0.399 31 HB2 LYS 5 1HB LYS 5 3.785 -11.008 1.413 32 HB3 LYS 5 2HB LYS 5 3.567 -9.354 0.865 33 HG2 LYS 5 1HG LYS 5 2.187 -9.770 2.794 34 HG3 LYS 5 2HG LYS 5 1.169 -9.518 1.375 35 HD2 LYS 5 1HD LYS 5 0.769 -11.872 1.163 36 HD3 LYS 5 2HD LYS 5 1.954 -12.236 2.419 37 HE2 LYS 5 1HE LYS 5 0.566 -11.103 4.071 38 HE3 LYS 5 2HE LYS 5 -0.604 -10.688 2.821 39 HZ1 LYS 5 3HZ LYS 5 -1.280 -12.621 4.118 40 HZ2 LYS 5 1HZ LYS 5 0.114 -13.451 3.638 41 HZ3 LYS 5 2HZ LYS 5 -1.054 -13.023 2.492 42 H CYS 6 H CYS 6 3.640 -8.702 -1.576 43 HA CYS 6 HA CYS 6 1.290 -7.202 -1.773 44 HB2 CYS 6 1HB CYS 6 3.779 -6.482 -2.084 45 HB3 CYS 6 2HB CYS 6 3.552 -6.952 -3.760 46 HG CYS 6 HG CYS 6 1.580 -5.091 -4.305 47 H ASN 7 H ASN 7 2.903 -9.203 -4.218 48 HA ASN 7 HA ASN 7 1.146 -8.843 -6.359 49 HB2 ASN 7 1HB ASN 7 3.419 -10.019 -6.293 50 HB3 ASN 7 2HB ASN 7 2.562 -11.429 -5.696 51 HD21 ASN 7 1HD2 ASN 7 4.101 -11.101 -8.109 52 HD22 ASN 7 2HD2 ASN 7 3.043 -11.469 -9.426 53 H LYS 8 H LYS 8 1.087 -11.070 -3.665 54 HA LYS 8 HA LYS 8 -0.991 -12.737 -4.598 55 HB2 LYS 8 1HB LYS 8 0.785 -13.198 -2.832 56 HB3 LYS 8 2HB LYS 8 -0.234 -12.298 -1.720 57 HG2 LYS 8 1HG LYS 8 -1.738 -13.963 -1.536 58 HG3 LYS 8 2HG LYS 8 -1.553 -14.466 -3.219 59 HD2 LYS 8 1HD LYS 8 -0.705 -16.171 -1.681 60 HD3 LYS 8 2HD LYS 8 0.582 -15.507 -2.689 61 HE2 LYS 8 1HE LYS 8 1.092 -13.941 -0.765 62 HE3 LYS 8 2HE LYS 8 0.007 -14.932 0.208 63 HZ1 LYS 8 3HZ LYS 8 2.201 -15.712 0.553 64 HZ2 LYS 8 1HZ LYS 8 2.530 -15.777 -1.107 65 HZ3 LYS 8 2HZ LYS 8 1.430 -16.864 -0.411 66 H LEU 9 H LEU 9 -0.999 -9.707 -2.847 67 HA LEU 9 HA LEU 9 -3.880 -9.936 -2.378 68 HB2 LEU 9 1HB LEU 9 -1.801 -7.994 -1.420 69 HB3 LEU 9 2HB LEU 9 -3.506 -7.620 -1.307 70 HG LEU 9 HG LEU 9 -2.824 -8.429 0.812 71 HD11 LEU 9 1HD1 LEU 9 -4.996 -9.242 0.013 72 HD12 LEU 9 2HD1 LEU 9 -4.225 -10.361 1.137 73 HD13 LEU 9 3HD1 LEU 9 -4.211 -10.699 -0.593 74 HD21 LEU 9 3HD2 LEU 9 -1.721 -10.866 -0.563 75 HD22 LEU 9 1HD2 LEU 9 -1.698 -10.528 1.168 76 HD23 LEU 9 2HD2 LEU 9 -0.757 -9.522 0.059 77 H LYS 10 H LYS 10 -1.855 -8.941 -4.768 78 HA LYS 10 HA LYS 10 -2.110 -7.747 -6.674 79 HB2 LYS 10 1HB LYS 10 -5.007 -7.682 -5.812 80 HB3 LYS 10 2HB LYS 10 -4.438 -6.992 -7.322 81 HG2 LYS 10 1HG LYS 10 -5.286 -9.095 -7.884 82 HG3 LYS 10 2HG LYS 10 -3.536 -9.300 -7.867 83 HD2 LYS 10 1HD LYS 10 -3.676 -10.269 -5.624 84 HD3 LYS 10 2HD LYS 10 -5.427 -10.058 -5.641 85 HE2 LYS 10 1HE LYS 10 -3.834 -11.768 -7.543 86 HE3 LYS 10 2HE LYS 10 -4.785 -12.357 -6.183 87 HZ1 LYS 10 3HZ LYS 10 -6.768 -11.441 -7.244 88 HZ2 LYS 10 1HZ LYS 10 -6.005 -12.578 -8.238 89 HZ3 LYS 10 2HZ LYS 10 -5.844 -10.928 -8.562 90 H GLY 11 H GLY 11 -1.461 -6.541 -4.113 91 HA2 GLY 11 1HA GLY 11 -2.573 -3.841 -4.368 92 HA3 GLY 11 2HA GLY 11 -1.673 -4.460 -2.989 93 H THR 12 H THR 12 -0.800 -2.147 -3.641 94 HA THR 12 HA THR 12 1.580 -2.618 -5.319 95 HB THR 12 HB THR 12 0.299 0.087 -5.029 96 HG1 THR 12 HG1 THR 12 -0.432 -2.057 -6.717 97 HG21 THR 12 1HG2 THR 12 1.446 0.515 -7.158 98 HG22 THR 12 2HG2 THR 12 2.070 -1.133 -7.149 99 HG23 THR 12 3HG2 THR 12 2.579 0.008 -5.905 100 H CYS 13 H CYS 13 3.513 -1.656 -4.581 101 HA CYS 13 HA CYS 13 3.524 -0.971 -1.756 102 HB2 CYS 13 1HB CYS 13 5.937 -0.923 -3.574 103 HB3 CYS 13 2HB CYS 13 5.882 -1.133 -1.834 104 HG CYS 13 HG CYS 13 4.159 -3.580 -3.088 105 H LYS 14 H LYS 14 2.731 1.011 -1.437 106 HA LYS 14 HA LYS 14 3.952 3.212 -2.956 107 HB2 LYS 14 1HB LYS 14 1.803 4.438 -2.737 108 HB3 LYS 14 2HB LYS 14 1.670 2.985 -3.718 109 HG2 LYS 14 1HG LYS 14 0.674 1.792 -1.853 110 HG3 LYS 14 2HG LYS 14 0.854 3.217 -0.829 111 HD2 LYS 14 1HD LYS 14 -1.423 3.075 -1.621 112 HD3 LYS 14 2HD LYS 14 -0.629 4.465 -2.361 113 HE2 LYS 14 1HE LYS 14 -0.262 3.169 -4.401 114 HE3 LYS 14 2HE LYS 14 -1.039 1.771 -3.658 115 HZ1 LYS 14 3HZ LYS 14 -2.334 4.382 -4.213 116 HZ2 LYS 14 1HZ LYS 14 -3.087 3.052 -3.484 117 HZ3 LYS 14 2HZ LYS 14 -2.564 2.961 -5.092 118 H ASN 15 H ASN 15 3.548 5.364 -1.704 119 HA ASN 15 HA ASN 15 4.595 4.902 0.954 120 HB2 ASN 15 1HB ASN 15 4.351 7.327 -0.804 121 HB3 ASN 15 2HB ASN 15 4.766 7.473 0.895 122 HD21 ASN 15 1HD2 ASN 15 5.819 6.467 -2.234 123 HD22 ASN 15 2HD2 ASN 15 7.473 6.196 -1.819 124 H ASN 16 H ASN 16 1.962 6.789 -0.530 125 HA ASN 16 HA ASN 16 0.565 6.698 2.063 126 HB2 ASN 16 1HB ASN 16 -0.643 8.739 1.291 127 HB3 ASN 16 2HB ASN 16 1.089 8.980 1.466 128 HD21 ASN 16 1HD2 ASN 16 2.374 9.112 -0.412 129 HD22 ASN 16 2HD2 ASN 16 1.686 9.585 -1.927 130 H CYS 17 H CYS 17 -1.339 5.688 2.170 131 HA CYS 17 HA CYS 17 -2.272 4.197 -0.087 132 HB2 CYS 17 1HB CYS 17 -3.758 4.543 2.512 133 HB3 CYS 17 2HB CYS 17 -3.796 3.174 1.410 134 HG CYS 17 HG CYS 17 -1.460 2.068 2.134 135 H GLY 18 H GLY 18 -4.247 4.380 -1.160 136 HA2 GLY 18 1HA GLY 18 -5.436 7.073 -1.018 137 HA3 GLY 18 2HA GLY 18 -5.388 6.063 -2.454 138 H LYS 19 H LYS 19 -7.633 6.413 -2.654 139 HA LYS 19 HA LYS 19 -9.600 5.927 -0.797 140 HB2 LYS 19 1HB LYS 19 -11.085 5.480 -2.771 141 HB3 LYS 19 2HB LYS 19 -10.168 6.974 -2.857 142 HG2 LYS 19 1HG LYS 19 -9.855 6.224 -4.974 143 HG3 LYS 19 2HG LYS 19 -8.479 5.444 -4.201 144 HD2 LYS 19 1HD LYS 19 -9.946 3.415 -3.891 145 HD3 LYS 19 2HD LYS 19 -11.135 4.214 -4.920 146 HE2 LYS 19 1HE LYS 19 -8.307 3.503 -5.694 147 HE3 LYS 19 2HE LYS 19 -9.761 2.646 -6.194 148 HZ1 LYS 19 3HZ LYS 19 -9.153 5.479 -6.843 149 HZ2 LYS 19 1HZ LYS 19 -10.486 4.592 -7.385 150 HZ3 LYS 19 2HZ LYS 19 -8.929 4.175 -7.893 151 H ASN 20 H ASN 20 -10.396 4.252 0.191 152 HA ASN 20 HA ASN 20 -11.004 2.156 0.770 153 HB2 ASN 20 1HB ASN 20 -10.859 1.726 -2.216 154 HB3 ASN 20 2HB ASN 20 -11.558 0.577 -1.081 155 HD21 ASN 20 1HD2 ASN 20 -13.507 1.066 -0.078 156 HD22 ASN 20 2HD2 ASN 20 -14.548 2.318 -0.661 157 H GLU 21 H GLU 21 -8.101 2.769 0.650 158 HA GLU 21 HA GLU 21 -7.123 0.031 0.203 159 HB2 GLU 21 1HB GLU 21 -5.688 2.680 0.158 160 HB3 GLU 21 2HB GLU 21 -4.826 1.153 0.259 161 HG2 GLU 21 1HG GLU 21 -5.909 0.462 -1.859 162 HG3 GLU 21 2HG GLU 21 -6.632 2.068 -1.965 163 H GLU 22 H GLU 22 -5.765 -0.935 1.675 164 HA GLU 22 HA GLU 22 -5.580 0.328 4.328 165 HB2 GLU 22 1HB GLU 22 -5.852 -1.886 5.353 166 HB3 GLU 22 2HB GLU 22 -7.265 -1.459 4.397 167 HG2 GLU 22 1HG GLU 22 -6.588 -2.911 2.628 168 HG3 GLU 22 2HG GLU 22 -5.035 -3.200 3.394 169 H LEU 23 H LEU 23 -3.716 -0.322 5.564 170 HA LEU 23 HA LEU 23 -1.452 -1.017 3.870 171 HB2 LEU 23 1HB LEU 23 -1.639 0.865 5.751 172 HB3 LEU 23 2HB LEU 23 -1.151 -0.472 6.774 173 HG LEU 23 HG LEU 23 0.916 -0.743 5.540 174 HD11 LEU 23 1HD1 LEU 23 1.480 0.743 3.693 175 HD12 LEU 23 2HD1 LEU 23 -0.121 1.464 3.775 176 HD13 LEU 23 3HD1 LEU 23 0.067 -0.227 3.319 177 HD21 LEU 23 3HD2 LEU 23 1.992 1.335 6.098 178 HD22 LEU 23 1HD2 LEU 23 0.794 0.963 7.334 179 HD23 LEU 23 2HD2 LEU 23 0.445 2.180 6.106 180 H ILE 24 H ILE 24 -0.715 -3.026 3.778 181 HA ILE 24 HA ILE 24 -1.826 -4.925 5.740 182 HB ILE 24 HB ILE 24 -2.337 -6.430 4.059 183 HG12 ILE 24 1HG1 ILE 24 -1.143 -5.516 1.665 184 HG13 ILE 24 2HG1 ILE 24 0.126 -5.497 2.886 185 HG21 ILE 24 1HG2 ILE 24 -3.755 -4.567 3.751 186 HG22 ILE 24 2HG2 ILE 24 -3.272 -5.128 2.150 187 HG23 ILE 24 3HG2 ILE 24 -2.519 -3.695 2.844 188 HD11 ILE 24 3HD1 ILE 24 0.014 -7.611 1.643 189 HD12 ILE 24 1HD1 ILE 24 -1.620 -7.860 2.260 190 HD13 ILE 24 2HD1 ILE 24 -0.252 -7.821 3.374 191 H ALA 25 H ALA 25 1.045 -3.791 4.228 192 HA ALA 25 HA ALA 25 2.680 -5.450 5.897 193 HB1 ALA 25 3HB ALA 25 3.870 -6.631 4.164 194 HB2 ALA 25 1HB ALA 25 2.883 -5.874 2.916 195 HB3 ALA 25 2HB ALA 25 2.153 -7.014 4.046 196 H LEU 26 H LEU 26 4.907 -4.881 5.774 197 HA LEU 26 HA LEU 26 5.262 -2.156 4.743 198 HB2 LEU 26 1HB LEU 26 6.412 -3.587 7.119 199 HB3 LEU 26 2HB LEU 26 7.125 -2.107 6.507 200 HG LEU 26 HG LEU 26 5.745 -1.566 8.387 201 HD11 LEU 26 1HD1 LEU 26 4.227 -0.794 5.904 202 HD12 LEU 26 2HD1 LEU 26 5.695 -0.007 6.481 203 HD13 LEU 26 3HD1 LEU 26 4.227 0.044 7.456 204 HD21 LEU 26 3HD2 LEU 26 4.318 -3.530 8.422 205 HD22 LEU 26 1HD2 LEU 26 3.488 -2.971 6.970 206 HD23 LEU 26 2HD2 LEU 26 3.353 -2.057 8.471 207 H CYS 27 H CYS 27 6.623 -1.918 3.119 208 HA CYS 27 HA CYS 27 8.322 -4.171 2.347 209 HB2 CYS 27 1HB CYS 27 7.264 -1.771 0.846 210 HB3 CYS 27 2HB CYS 27 8.414 -2.894 0.139 211 HG CYS 27 HG CYS 27 6.199 -3.823 -0.994 212 H GLN 28 H GLN 28 10.288 -3.172 0.916 213 HA GLN 28 HA GLN 28 11.841 -1.575 2.786 214 HB2 GLN 28 1HB GLN 28 12.684 -2.849 0.182 215 HB3 GLN 28 2HB GLN 28 13.748 -2.056 1.326 216 HG2 GLN 28 1HG GLN 28 13.146 -3.748 3.015 217 HG3 GLN 28 2HG GLN 28 12.181 -4.578 1.795 218 HE21 GLN 28 1HE2 GLN 28 13.455 -6.426 1.966 219 HE22 GLN 28 2HE2 GLN 28 15.046 -6.509 1.297 220 H LYS 29 H LYS 29 13.368 0.039 1.658 221 HA LYS 29 HA LYS 29 13.682 2.010 0.559 222 HB2 LYS 29 1HB LYS 29 11.569 0.915 -1.285 223 HB3 LYS 29 2HB LYS 29 12.517 2.357 -1.608 224 HG2 LYS 29 1HG LYS 29 14.548 1.048 -1.690 225 HG3 LYS 29 2HG LYS 29 13.657 -0.407 -1.243 226 HD2 LYS 29 1HD LYS 29 13.206 1.211 -3.751 227 HD3 LYS 29 2HD LYS 29 14.123 -0.294 -3.660 228 HE2 LYS 29 1HE LYS 29 12.100 -1.452 -2.865 229 HE3 LYS 29 2HE LYS 29 11.193 0.051 -3.013 230 HZ1 LYS 29 3HZ LYS 29 10.872 -1.390 -4.925 231 HZ2 LYS 29 1HZ LYS 29 12.530 -1.374 -5.248 232 HZ3 LYS 29 2HZ LYS 29 11.630 0.050 -5.380 233 H SER 30 H SER 30 11.380 1.398 2.475 234 HA SER 30 HA SER 30 10.069 2.718 3.774 235 HB2 SER 30 1HB SER 30 11.447 4.672 3.110 236 HB3 SER 30 2HB SER 30 10.412 4.900 1.701 237 HG SER 30 HG SER 30 8.646 4.993 3.354 238 H LEU 31 H LEU 31 9.431 1.686 0.663 239 HA LEU 31 HA LEU 31 6.702 2.489 0.486 240 HB2 LEU 31 1HB LEU 31 8.300 0.298 -0.844 241 HB3 LEU 31 2HB LEU 31 6.596 0.532 -1.139 242 HG LEU 31 HG LEU 31 7.903 1.517 -2.902 243 HD11 LEU 31 1HD1 LEU 31 6.967 3.771 -2.888 244 HD12 LEU 31 2HD1 LEU 31 6.621 3.613 -1.164 245 HD13 LEU 31 3HD1 LEU 31 5.801 2.573 -2.330 246 HD21 LEU 31 3HD2 LEU 31 9.152 3.247 -0.793 247 HD22 LEU 31 1HD2 LEU 31 9.350 3.446 -2.534 248 HD23 LEU 31 2HD2 LEU 31 9.958 1.996 -1.738 249 H LYS 32 H LYS 32 4.852 1.237 0.963 250 HA LYS 32 HA LYS 32 5.266 -1.401 2.062 251 HB2 LYS 32 1HB LYS 32 3.634 -0.889 3.890 252 HB3 LYS 32 2HB LYS 32 5.193 -0.106 3.993 253 HG2 LYS 32 1HG LYS 32 3.007 1.425 2.751 254 HG3 LYS 32 2HG LYS 32 2.972 1.166 4.503 255 HD2 LYS 32 1HD LYS 32 5.295 2.052 4.613 256 HD3 LYS 32 2HD LYS 32 5.186 2.441 2.895 257 HE2 LYS 32 1HE LYS 32 3.353 3.953 3.313 258 HE3 LYS 32 2HE LYS 32 3.322 3.495 5.016 259 HZ1 LYS 32 3HZ LYS 32 5.637 4.782 3.683 260 HZ2 LYS 32 1HZ LYS 32 5.457 4.479 5.334 261 HZ3 LYS 32 2HZ LYS 32 4.469 5.619 4.570 262 H CYS 33 H CYS 33 3.147 -2.599 2.281 263 HA CYS 33 HA CYS 33 2.089 -2.436 -0.403 264 HB2 CYS 33 1HB CYS 33 2.882 -4.579 0.654 265 HB3 CYS 33 2HB CYS 33 1.477 -4.499 1.711 266 HG CYS 33 HG CYS 33 1.289 -4.674 -1.702 267 H CYS 34 H CYS 34 0.332 -1.388 -0.881 268 HA CYS 34 HA CYS 34 -1.867 -1.314 1.077 269 HB2 CYS 34 1HB CYS 34 -1.379 0.641 -1.177 270 HB3 CYS 34 2HB CYS 34 -2.568 0.782 0.115 271 HG CYS 34 HG CYS 34 0.735 0.654 0.908 272 H ARG 35 H ARG 35 -3.736 -2.248 0.464 273 HA ARG 35 HA ARG 35 -3.975 -3.038 -2.368 274 HB2 ARG 35 1HB ARG 35 -5.298 -4.993 -1.577 275 HB3 ARG 35 2HB ARG 35 -3.632 -5.012 -1.026 276 HG2 ARG 35 1HG ARG 35 -4.446 -4.049 1.144 277 HG3 ARG 35 2HG ARG 35 -6.086 -4.335 0.566 278 HD2 ARG 35 1HD ARG 35 -4.090 -6.551 0.537 279 HD3 ARG 35 2HD ARG 35 -4.890 -6.135 2.051 280 HE ARG 35 HE ARG 35 -6.281 -7.006 -0.411 281 HH11 ARG 35 1HH1 ARG 35 -6.146 -6.718 3.087 282 HH12 ARG 35 2HH1 ARG 35 -7.455 -7.828 3.342 283 HH21 ARG 35 1HH2 ARG 35 -8.007 -8.443 -0.060 284 HH22 ARG 35 2HH2 ARG 35 -8.510 -8.814 1.557 285 H THR 36 H THR 36 -5.812 -2.571 -3.426 286 HA THR 36 HA THR 36 -7.646 -0.742 -2.162 287 HB THR 36 HB THR 36 -7.848 -1.904 -4.945 288 HG1 THR 36 HG1 THR 36 -5.831 -0.583 -4.137 289 HG21 THR 36 1HG2 THR 36 -8.917 0.646 -3.720 290 HG22 THR 36 2HG2 THR 36 -9.866 -0.776 -4.152 291 HG23 THR 36 3HG2 THR 36 -9.079 0.175 -5.410 292 H ILE 37 H ILE 37 -9.170 -1.465 -0.928 293 HA ILE 37 HA ILE 37 -10.014 -4.181 -0.896 294 HB ILE 37 HB ILE 37 -11.042 -1.765 0.581 295 HG12 ILE 37 1HG1 ILE 37 -8.706 -2.050 0.997 296 HG13 ILE 37 2HG1 ILE 37 -9.559 -2.683 2.390 297 HG21 ILE 37 1HG2 ILE 37 -12.667 -3.524 0.686 298 HG22 ILE 37 2HG2 ILE 37 -11.831 -3.434 2.236 299 HG23 ILE 37 3HG2 ILE 37 -11.425 -4.704 1.085 300 HD11 ILE 37 3HD1 ILE 37 -7.820 -4.201 1.921 301 HD12 ILE 37 1HD1 ILE 37 -8.209 -4.218 0.201 302 HD13 ILE 37 2HD1 ILE 37 -9.304 -4.967 1.359 303 H GLN 38 H GLN 38 -11.569 -5.096 -1.940 304 HA GLN 38 HA GLN 38 -13.427 -3.683 -3.595 305 HB2 GLN 38 1HB GLN 38 -13.339 -6.606 -2.792 306 HB3 GLN 38 2HB GLN 38 -14.273 -5.935 -4.116 307 HG2 GLN 38 1HG GLN 38 -12.186 -5.256 -5.221 308 HG3 GLN 38 2HG GLN 38 -11.275 -6.000 -3.911 309 HE21 GLN 38 1HE2 GLN 38 -14.224 -7.348 -5.198 310 HE22 GLN 38 2HE2 GLN 38 -13.497 -8.727 -5.946 311 HA PRO 39 HA PRO 39 -17.172 -3.241 -1.139 312 HB2 PRO 39 1HB PRO 39 -18.183 -5.748 -2.434 313 HB3 PRO 39 2HB PRO 39 -19.033 -4.231 -2.117 314 HG2 PRO 39 1HG PRO 39 -18.107 -4.759 -4.548 315 HG3 PRO 39 2HG PRO 39 -17.991 -3.125 -3.871 316 HD2 PRO 39 1HD PRO 39 -15.874 -5.147 -4.301 317 HD3 PRO 39 2HD PRO 39 -15.754 -3.380 -4.278 318 H SER 40 H SER 40 -17.989 -3.949 0.802 319 HA SER 40 HA SER 40 -16.279 -5.675 2.243 320 HB2 SER 40 1HB SER 40 -17.395 -3.664 3.197 321 HB3 SER 40 2HB SER 40 -18.934 -4.520 3.118 322 HG SER 40 HG SER 40 -16.646 -5.202 4.665 323 H GLY 41 H GLY 41 -19.041 -6.348 0.374 324 HA2 GLY 41 1HA GLY 41 -19.837 -8.684 1.868 325 HA3 GLY 41 2HA GLY 41 -20.406 -8.225 0.268 326 H SER 42 H SER 42 -18.684 -10.454 1.944 327 HA SER 42 HA SER 42 -17.396 -12.225 1.398 328 HB2 SER 42 1HB SER 42 -17.986 -11.419 -1.457 329 HB3 SER 42 2HB SER 42 -17.294 -12.959 -0.947 330 HG SER 42 HG SER 42 -19.684 -12.162 0.255 331 H ILE 43 H ILE 43 -15.281 -12.846 0.596 332 HA ILE 43 HA ILE 43 -13.090 -12.561 0.088 333 HB ILE 43 HB ILE 43 -13.903 -9.830 -0.914 334 HG12 ILE 43 1HG1 ILE 43 -13.254 -12.408 -2.362 335 HG13 ILE 43 2HG1 ILE 43 -14.850 -11.684 -2.204 336 HG21 ILE 43 1HG2 ILE 43 -11.703 -9.761 -1.995 337 HG22 ILE 43 2HG2 ILE 43 -11.270 -11.274 -1.199 338 HG23 ILE 43 3HG2 ILE 43 -11.564 -9.825 -0.239 339 HD11 ILE 43 3HD1 ILE 43 -12.510 -10.477 -3.658 340 HD12 ILE 43 1HD1 ILE 43 -14.118 -9.769 -3.514 341 HD13 ILE 43 2HD1 ILE 43 -13.896 -11.277 -4.399 342 H ILE 44 H ILE 44 -14.124 -9.321 1.201 343 HA ILE 44 HA ILE 44 -12.513 -9.701 3.603 344 HB ILE 44 HB ILE 44 -10.908 -8.631 2.207 345 HG12 ILE 44 1HG1 ILE 44 -12.210 -6.576 4.005 346 HG13 ILE 44 2HG1 ILE 44 -11.040 -7.790 4.500 347 HG21 ILE 44 1HG2 ILE 44 -12.483 -7.817 0.487 348 HG22 ILE 44 2HG2 ILE 44 -11.287 -6.608 0.951 349 HG23 ILE 44 3HG2 ILE 44 -12.938 -6.497 1.565 350 HD11 ILE 44 3HD1 ILE 44 -10.579 -5.407 2.731 351 HD12 ILE 44 1HD1 ILE 44 -9.403 -6.707 2.950 352 HD13 ILE 44 2HD1 ILE 44 -9.903 -5.727 4.325 353 H ASP 45 H ASP 45 -13.474 -8.931 5.348 354 HA ASP 45 HA ASP 45 -15.979 -7.498 5.066 355 HB2 ASP 45 1HB ASP 45 -15.875 -9.377 6.634 356 HB3 ASP 45 2HB ASP 45 -14.581 -8.580 7.523 Start of MODEL 12 1 H PHE 1 1H PHE 1 9.884 -10.102 -3.481 2 HA PHE 1 HA PHE 1 10.152 -11.969 -2.017 3 HB2 PHE 1 1HB PHE 1 11.827 -10.058 -0.369 4 HB3 PHE 1 2HB PHE 1 11.370 -11.694 0.097 5 HD1 PHE 1 HD2 PHE 1 12.070 -13.566 -1.597 6 HD2 PHE 1 HD1 PHE 1 13.865 -9.715 -1.373 7 HE1 PHE 1 HE2 PHE 1 14.079 -14.441 -2.711 8 HE2 PHE 1 HE1 PHE 1 15.877 -10.584 -2.491 9 HZ PHE 1 HZ PHE 1 15.987 -12.951 -3.159 10 H PHE 2 H PHE 2 10.286 -8.932 -0.163 11 HA PHE 2 HA PHE 2 7.946 -9.412 1.279 12 HB2 PHE 2 1HB PHE 2 9.230 -6.761 0.597 13 HB3 PHE 2 2HB PHE 2 8.018 -7.005 1.847 14 HD1 PHE 2 HD2 PHE 2 8.572 -8.249 3.886 15 HD2 PHE 2 HD1 PHE 2 11.511 -7.373 0.934 16 HE1 PHE 2 HE2 PHE 2 10.351 -8.763 5.506 17 HE2 PHE 2 HE1 PHE 2 13.294 -7.885 2.550 18 HZ PHE 2 HZ PHE 2 12.713 -8.582 4.839 19 H ASP 3 H ASP 3 8.445 -7.499 -1.684 20 HA ASP 3 HA ASP 3 5.593 -7.053 -1.823 21 HB2 ASP 3 1HB ASP 3 6.026 -5.691 -3.793 22 HB3 ASP 3 2HB ASP 3 7.001 -5.180 -2.423 23 H GLU 4 H GLU 4 7.467 -9.573 -2.599 24 HA GLU 4 HA GLU 4 6.088 -10.373 -4.998 25 HB2 GLU 4 1HB GLU 4 8.306 -11.338 -4.342 26 HB3 GLU 4 2HB GLU 4 7.526 -12.112 -2.972 27 HG2 GLU 4 1HG GLU 4 7.807 -13.717 -4.722 28 HG3 GLU 4 2HG GLU 4 6.091 -13.365 -4.542 29 H LYS 5 H LYS 5 5.793 -10.760 -1.527 30 HA LYS 5 HA LYS 5 3.356 -12.203 -1.557 31 HB2 LYS 5 1HB LYS 5 4.808 -12.016 0.441 32 HB3 LYS 5 2HB LYS 5 4.430 -10.306 0.536 33 HG2 LYS 5 1HG LYS 5 3.132 -11.579 2.145 34 HG3 LYS 5 2HG LYS 5 2.084 -10.829 0.941 35 HD2 LYS 5 1HD LYS 5 1.317 -13.069 1.313 36 HD3 LYS 5 2HD LYS 5 2.056 -12.997 -0.287 37 HE2 LYS 5 1HE LYS 5 4.127 -13.942 0.658 38 HE3 LYS 5 2HE LYS 5 3.337 -14.059 2.229 39 HZ1 LYS 5 3HZ LYS 5 1.686 -15.540 1.200 40 HZ2 LYS 5 1HZ LYS 5 3.253 -16.170 1.119 41 HZ3 LYS 5 2HZ LYS 5 2.548 -15.483 -0.252 42 H CYS 6 H CYS 6 4.198 -8.769 -1.581 43 HA CYS 6 HA CYS 6 1.639 -7.657 -1.446 44 HB2 CYS 6 1HB CYS 6 3.782 -6.366 -1.393 45 HB3 CYS 6 2HB CYS 6 3.982 -6.687 -3.109 46 HG CYS 6 HG CYS 6 1.825 -5.177 -3.933 47 H ASN 7 H ASN 7 3.492 -8.858 -4.194 48 HA ASN 7 HA ASN 7 1.699 -8.333 -6.268 49 HB2 ASN 7 1HB ASN 7 3.998 -9.080 -6.641 50 HB3 ASN 7 2HB ASN 7 3.628 -10.637 -5.923 51 HD21 ASN 7 1HD2 ASN 7 4.139 -11.817 -7.696 52 HD22 ASN 7 2HD2 ASN 7 3.197 -11.805 -9.152 53 H LYS 8 H LYS 8 2.100 -11.263 -4.314 54 HA LYS 8 HA LYS 8 0.038 -12.776 -5.426 55 HB2 LYS 8 1HB LYS 8 1.749 -13.681 -3.901 56 HB3 LYS 8 2HB LYS 8 1.013 -12.815 -2.564 57 HG2 LYS 8 1HG LYS 8 0.359 -15.133 -2.505 58 HG3 LYS 8 2HG LYS 8 -1.044 -14.128 -2.879 59 HD2 LYS 8 1HD LYS 8 -0.748 -14.653 -5.269 60 HD3 LYS 8 2HD LYS 8 0.609 -15.703 -4.853 61 HE2 LYS 8 1HE LYS 8 -0.885 -17.094 -3.512 62 HE3 LYS 8 2HE LYS 8 -2.236 -16.041 -3.918 63 HZ1 LYS 8 3HZ LYS 8 -0.659 -17.670 -5.834 64 HZ2 LYS 8 1HZ LYS 8 -1.918 -16.619 -6.255 65 HZ3 LYS 8 2HZ LYS 8 -2.235 -17.988 -5.317 66 H LEU 9 H LEU 9 -0.035 -10.513 -2.702 67 HA LEU 9 HA LEU 9 -2.833 -10.984 -2.217 68 HB2 LEU 9 1HB LEU 9 -0.934 -8.934 -1.087 69 HB3 LEU 9 2HB LEU 9 -2.579 -9.186 -0.534 70 HG LEU 9 HG LEU 9 -0.387 -11.260 -0.412 71 HD11 LEU 9 1HD1 LEU 9 0.042 -9.380 1.092 72 HD12 LEU 9 2HD1 LEU 9 -0.371 -10.848 1.981 73 HD13 LEU 9 3HD1 LEU 9 -1.571 -9.570 1.784 74 HD21 LEU 9 3HD2 LEU 9 -2.583 -12.266 -0.592 75 HD22 LEU 9 1HD2 LEU 9 -3.189 -11.236 0.706 76 HD23 LEU 9 2HD2 LEU 9 -1.965 -12.459 1.047 77 H LYS 10 H LYS 10 -1.201 -9.294 -4.508 78 HA LYS 10 HA LYS 10 -1.946 -8.041 -6.238 79 HB2 LYS 10 1HB LYS 10 -4.656 -8.414 -4.974 80 HB3 LYS 10 2HB LYS 10 -4.361 -7.770 -6.585 81 HG2 LYS 10 1HG LYS 10 -3.231 -9.925 -7.149 82 HG3 LYS 10 2HG LYS 10 -3.789 -10.548 -5.593 83 HD2 LYS 10 1HD LYS 10 -6.097 -10.089 -6.247 84 HD3 LYS 10 2HD LYS 10 -5.523 -9.471 -7.794 85 HE2 LYS 10 1HE LYS 10 -4.592 -11.669 -8.328 86 HE3 LYS 10 2HE LYS 10 -5.162 -12.286 -6.778 87 HZ1 LYS 10 3HZ LYS 10 -7.436 -11.791 -7.491 88 HZ2 LYS 10 1HZ LYS 10 -6.679 -12.893 -8.529 89 HZ3 LYS 10 2HZ LYS 10 -6.857 -11.277 -8.994 90 H GLY 11 H GLY 11 -0.887 -6.753 -4.008 91 HA2 GLY 11 1HA GLY 11 -2.427 -4.225 -4.046 92 HA3 GLY 11 2HA GLY 11 -1.423 -4.733 -2.691 93 H THR 12 H THR 12 -0.988 -2.270 -3.750 94 HA THR 12 HA THR 12 1.532 -2.650 -5.235 95 HB THR 12 HB THR 12 -0.029 -0.073 -5.141 96 HG1 THR 12 HG1 THR 12 -0.663 -2.369 -6.457 97 HG21 THR 12 1HG2 THR 12 1.232 0.417 -7.193 98 HG22 THR 12 2HG2 THR 12 2.045 -1.141 -7.060 99 HG23 THR 12 3HG2 THR 12 2.307 0.099 -5.833 100 H CYS 13 H CYS 13 3.348 -1.458 -4.513 101 HA CYS 13 HA CYS 13 3.229 -0.812 -1.681 102 HB2 CYS 13 1HB CYS 13 5.721 -0.676 -3.371 103 HB3 CYS 13 2HB CYS 13 5.572 -0.971 -1.646 104 HG CYS 13 HG CYS 13 5.335 -3.537 -1.719 105 H LYS 14 H LYS 14 2.527 1.165 -1.245 106 HA LYS 14 HA LYS 14 3.617 3.407 -2.823 107 HB2 LYS 14 1HB LYS 14 0.977 3.351 -1.347 108 HB3 LYS 14 2HB LYS 14 1.600 4.670 -2.329 109 HG2 LYS 14 1HG LYS 14 1.462 3.208 -4.292 110 HG3 LYS 14 2HG LYS 14 0.785 1.959 -3.249 111 HD2 LYS 14 1HD LYS 14 -0.972 3.680 -2.597 112 HD3 LYS 14 2HD LYS 14 -0.407 4.599 -3.993 113 HE2 LYS 14 1HE LYS 14 -0.896 2.720 -5.450 114 HE3 LYS 14 2HE LYS 14 -1.399 1.770 -4.050 115 HZ1 LYS 14 3HZ LYS 14 -3.243 2.793 -5.355 116 HZ2 LYS 14 1HZ LYS 14 -2.703 4.310 -4.841 117 HZ3 LYS 14 2HZ LYS 14 -3.254 3.175 -3.705 118 H ASN 15 H ASN 15 3.499 5.481 -1.541 119 HA ASN 15 HA ASN 15 4.600 5.107 1.102 120 HB2 ASN 15 1HB ASN 15 4.431 7.264 -0.870 121 HB3 ASN 15 2HB ASN 15 4.173 7.809 0.781 122 HD21 ASN 15 1HD2 ASN 15 6.125 8.980 0.674 123 HD22 ASN 15 2HD2 ASN 15 7.654 8.185 0.812 124 H ASN 16 H ASN 16 1.578 5.727 -0.398 125 HA ASN 16 HA ASN 16 0.299 6.033 2.216 126 HB2 ASN 16 1HB ASN 16 -0.923 8.018 1.608 127 HB3 ASN 16 2HB ASN 16 0.789 8.340 1.353 128 HD21 ASN 16 1HD2 ASN 16 1.590 8.106 -0.849 129 HD22 ASN 16 2HD2 ASN 16 0.548 8.531 -2.162 130 H CYS 17 H CYS 17 -1.869 5.419 2.242 131 HA CYS 17 HA CYS 17 -2.636 3.672 0.060 132 HB2 CYS 17 1HB CYS 17 -4.068 4.218 2.667 133 HB3 CYS 17 2HB CYS 17 -4.367 2.885 1.564 134 HG CYS 17 HG CYS 17 -1.388 2.309 2.048 135 H GLY 18 H GLY 18 -4.147 4.076 -1.397 136 HA2 GLY 18 1HA GLY 18 -5.287 6.745 -1.492 137 HA3 GLY 18 2HA GLY 18 -5.321 5.538 -2.768 138 H LYS 19 H LYS 19 -7.524 6.082 -3.066 139 HA LYS 19 HA LYS 19 -9.526 6.077 -1.184 140 HB2 LYS 19 1HB LYS 19 -11.076 5.930 -2.955 141 HB3 LYS 19 2HB LYS 19 -9.683 6.771 -3.606 142 HG2 LYS 19 1HG LYS 19 -10.407 3.886 -4.084 143 HG3 LYS 19 2HG LYS 19 -10.598 5.215 -5.222 144 HD2 LYS 19 1HD LYS 19 -8.102 5.532 -5.104 145 HD3 LYS 19 2HD LYS 19 -8.031 4.029 -4.180 146 HE2 LYS 19 1HE LYS 19 -7.570 3.595 -6.517 147 HE3 LYS 19 2HE LYS 19 -9.095 2.845 -6.046 148 HZ1 LYS 19 3HZ LYS 19 -9.294 3.932 -8.180 149 HZ2 LYS 19 1HZ LYS 19 -8.795 5.406 -7.519 150 HZ3 LYS 19 2HZ LYS 19 -10.265 4.720 -7.045 151 H ASN 20 H ASN 20 -10.262 4.640 0.141 152 HA ASN 20 HA ASN 20 -10.873 2.706 1.130 153 HB2 ASN 20 1HB ASN 20 -11.344 1.940 -1.751 154 HB3 ASN 20 2HB ASN 20 -11.807 0.918 -0.395 155 HD21 ASN 20 1HD2 ASN 20 -13.976 1.032 -0.874 156 HD22 ASN 20 2HD2 ASN 20 -14.914 2.466 -0.647 157 H GLU 21 H GLU 21 -8.045 3.061 0.511 158 HA GLU 21 HA GLU 21 -7.238 0.237 0.328 159 HB2 GLU 21 1HB GLU 21 -5.580 2.747 -0.012 160 HB3 GLU 21 2HB GLU 21 -4.940 1.113 -0.077 161 HG2 GLU 21 1HG GLU 21 -6.567 0.724 -1.985 162 HG3 GLU 21 2HG GLU 21 -6.802 2.467 -2.000 163 H GLU 22 H GLU 22 -5.657 -0.555 1.823 164 HA GLU 22 HA GLU 22 -5.256 1.072 4.230 165 HB2 GLU 22 1HB GLU 22 -5.795 -0.774 5.697 166 HB3 GLU 22 2HB GLU 22 -7.167 -0.446 4.653 167 HG2 GLU 22 1HG GLU 22 -6.631 -2.354 3.281 168 HG3 GLU 22 2HG GLU 22 -5.160 -2.642 4.210 169 H LEU 23 H LEU 23 -3.487 0.304 5.582 170 HA LEU 23 HA LEU 23 -1.284 -0.658 3.964 171 HB2 LEU 23 1HB LEU 23 -1.474 1.161 6.002 172 HB3 LEU 23 2HB LEU 23 -0.859 -0.246 6.846 173 HG LEU 23 HG LEU 23 1.133 -0.295 5.511 174 HD11 LEU 23 1HD1 LEU 23 -0.365 1.654 3.791 175 HD12 LEU 23 2HD1 LEU 23 0.391 0.120 3.338 176 HD13 LEU 23 3HD1 LEU 23 1.390 1.519 3.731 177 HD21 LEU 23 3HD2 LEU 23 0.461 2.562 6.215 178 HD22 LEU 23 1HD2 LEU 23 2.079 1.916 5.941 179 HD23 LEU 23 2HD2 LEU 23 1.124 1.351 7.312 180 H ILE 24 H ILE 24 -0.767 -2.739 3.833 181 HA ILE 24 HA ILE 24 -1.903 -4.528 5.880 182 HB ILE 24 HB ILE 24 -2.353 -6.159 4.232 183 HG12 ILE 24 1HG1 ILE 24 -1.569 -5.318 1.755 184 HG13 ILE 24 2HG1 ILE 24 -0.220 -4.793 2.750 185 HG21 ILE 24 1HG2 ILE 24 -2.852 -3.486 2.944 186 HG22 ILE 24 2HG2 ILE 24 -3.865 -4.236 4.181 187 HG23 ILE 24 3HG2 ILE 24 -3.709 -4.988 2.594 188 HD11 ILE 24 3HD1 ILE 24 -1.294 -7.593 2.576 189 HD12 ILE 24 1HD1 ILE 24 0.062 -7.067 3.573 190 HD13 ILE 24 2HD1 ILE 24 0.180 -6.992 1.815 191 H ALA 25 H ALA 25 1.004 -3.520 4.354 192 HA ALA 25 HA ALA 25 2.610 -5.185 6.031 193 HB1 ALA 25 3HB ALA 25 2.609 -5.844 3.083 194 HB2 ALA 25 1HB ALA 25 1.993 -6.879 4.371 195 HB3 ALA 25 2HB ALA 25 3.712 -6.500 4.292 196 H LEU 26 H LEU 26 4.865 -4.816 5.746 197 HA LEU 26 HA LEU 26 5.377 -2.193 4.554 198 HB2 LEU 26 1HB LEU 26 5.740 -2.183 6.879 199 HB3 LEU 26 2HB LEU 26 6.649 -3.676 6.833 200 HG LEU 26 HG LEU 26 8.440 -2.439 5.578 201 HD11 LEU 26 1HD1 LEU 26 8.310 0.091 5.871 202 HD12 LEU 26 2HD1 LEU 26 6.575 -0.147 6.121 203 HD13 LEU 26 3HD1 LEU 26 7.326 -0.631 4.600 204 HD21 LEU 26 3HD2 LEU 26 8.636 -2.818 7.968 205 HD22 LEU 26 1HD2 LEU 26 7.693 -1.364 8.294 206 HD23 LEU 26 2HD2 LEU 26 9.282 -1.234 7.542 207 H CYS 27 H CYS 27 6.981 -1.884 3.174 208 HA CYS 27 HA CYS 27 8.257 -4.304 2.071 209 HB2 CYS 27 1HB CYS 27 7.197 -1.834 0.685 210 HB3 CYS 27 2HB CYS 27 8.160 -3.057 -0.128 211 HG CYS 27 HG CYS 27 5.816 -4.726 1.286 212 H GLN 28 H GLN 28 10.214 -3.617 0.623 213 HA GLN 28 HA GLN 28 12.042 -2.170 2.283 214 HB2 GLN 28 1HB GLN 28 12.440 -3.112 -0.559 215 HB3 GLN 28 2HB GLN 28 13.697 -2.611 0.558 216 HG2 GLN 28 1HG GLN 28 13.088 -4.501 2.029 217 HG3 GLN 28 2HG GLN 28 11.931 -5.032 0.809 218 HE21 GLN 28 1HE2 GLN 28 12.695 -5.832 -1.152 219 HE22 GLN 28 2HE2 GLN 28 14.319 -6.389 -1.341 220 H LYS 29 H LYS 29 13.501 -0.499 1.100 221 HA LYS 29 HA LYS 29 13.707 1.650 0.381 222 HB2 LYS 29 1HB LYS 29 11.352 0.897 -1.349 223 HB3 LYS 29 2HB LYS 29 12.253 2.397 -1.508 224 HG2 LYS 29 1HG LYS 29 14.277 1.099 -2.032 225 HG3 LYS 29 2HG LYS 29 13.330 -0.387 -1.919 226 HD2 LYS 29 1HD LYS 29 12.703 1.871 -3.817 227 HD3 LYS 29 2HD LYS 29 13.672 0.463 -4.252 228 HE2 LYS 29 1HE LYS 29 10.849 0.295 -3.197 229 HE3 LYS 29 2HE LYS 29 11.252 0.346 -4.914 230 HZ1 LYS 29 3HZ LYS 29 12.076 -1.744 -2.972 231 HZ2 LYS 29 1HZ LYS 29 12.593 -1.675 -4.580 232 HZ3 LYS 29 2HZ LYS 29 10.960 -1.915 -4.225 233 H SER 30 H SER 30 11.536 0.649 2.379 234 HA SER 30 HA SER 30 10.321 1.638 4.008 235 HB2 SER 30 1HB SER 30 11.872 3.590 3.764 236 HB3 SER 30 2HB SER 30 10.745 4.281 2.597 237 HG SER 30 HG SER 30 9.147 4.227 4.266 238 H LEU 31 H LEU 31 9.441 1.178 0.943 239 HA LEU 31 HA LEU 31 6.905 2.470 0.848 240 HB2 LEU 31 1HB LEU 31 8.197 0.213 -0.663 241 HB3 LEU 31 2HB LEU 31 6.499 0.566 -0.880 242 HG LEU 31 HG LEU 31 8.002 1.561 -2.590 243 HD11 LEU 31 1HD1 LEU 31 6.420 3.514 -0.931 244 HD12 LEU 31 2HD1 LEU 31 5.779 2.460 -2.192 245 HD13 LEU 31 3HD1 LEU 31 6.910 3.745 -2.611 246 HD21 LEU 31 3HD2 LEU 31 8.880 3.356 -0.348 247 HD22 LEU 31 1HD2 LEU 31 9.282 3.549 -2.053 248 HD23 LEU 31 2HD2 LEU 31 9.881 2.153 -1.160 249 H LYS 32 H LYS 32 4.816 1.280 0.857 250 HA LYS 32 HA LYS 32 4.838 -1.143 2.520 251 HB2 LYS 32 1HB LYS 32 3.136 1.299 2.994 252 HB3 LYS 32 2HB LYS 32 2.820 -0.264 3.728 253 HG2 LYS 32 1HG LYS 32 4.018 0.551 5.425 254 HG3 LYS 32 2HG LYS 32 5.407 0.128 4.423 255 HD2 LYS 32 1HD LYS 32 5.431 2.393 3.489 256 HD3 LYS 32 2HD LYS 32 4.051 2.821 4.501 257 HE2 LYS 32 1HE LYS 32 5.391 2.354 6.502 258 HE3 LYS 32 2HE LYS 32 6.769 1.958 5.478 259 HZ1 LYS 32 3HZ LYS 32 6.658 4.245 4.601 260 HZ2 LYS 32 1HZ LYS 32 6.983 4.190 6.260 261 HZ3 LYS 32 2HZ LYS 32 5.438 4.596 5.718 262 H CYS 33 H CYS 33 2.885 -2.416 2.347 263 HA CYS 33 HA CYS 33 1.903 -2.357 -0.376 264 HB2 CYS 33 1HB CYS 33 2.603 -4.482 0.731 265 HB3 CYS 33 2HB CYS 33 1.256 -4.295 1.850 266 HG CYS 33 HG CYS 33 0.993 -4.766 -1.528 267 H CYS 34 H CYS 34 0.199 -1.198 -0.895 268 HA CYS 34 HA CYS 34 -1.970 -0.886 1.069 269 HB2 CYS 34 1HB CYS 34 -1.435 0.745 -1.425 270 HB3 CYS 34 2HB CYS 34 -2.652 1.078 -0.197 271 HG CYS 34 HG CYS 34 0.468 0.900 1.001 272 H ARG 35 H ARG 35 -3.721 -2.088 0.730 273 HA ARG 35 HA ARG 35 -4.188 -3.143 -1.980 274 HB2 ARG 35 1HB ARG 35 -5.328 -4.158 0.633 275 HB3 ARG 35 2HB ARG 35 -5.495 -4.914 -0.943 276 HG2 ARG 35 1HG ARG 35 -3.100 -5.353 -1.000 277 HG3 ARG 35 2HG ARG 35 -2.915 -4.568 0.569 278 HD2 ARG 35 1HD ARG 35 -3.003 -6.838 1.114 279 HD3 ARG 35 2HD ARG 35 -4.649 -6.276 1.393 280 HE ARG 35 HE ARG 35 -4.193 -7.348 -1.252 281 HH11 ARG 35 1HH1 ARG 35 -5.106 -8.095 2.044 282 HH12 ARG 35 2HH1 ARG 35 -6.023 -9.503 1.605 283 HH21 ARG 35 1HH2 ARG 35 -5.385 -9.206 -1.827 284 HH22 ARG 35 2HH2 ARG 35 -6.184 -10.131 -0.595 285 H THR 36 H THR 36 -5.944 -2.515 -3.074 286 HA THR 36 HA THR 36 -7.763 -0.612 -1.878 287 HB THR 36 HB THR 36 -8.262 -1.765 -4.585 288 HG1 THR 36 HG1 THR 36 -6.057 -0.077 -3.898 289 HG21 THR 36 1HG2 THR 36 -9.691 0.025 -3.659 290 HG22 THR 36 2HG2 THR 36 -8.843 0.540 -5.117 291 HG23 THR 36 3HG2 THR 36 -8.278 1.074 -3.534 292 H ILE 37 H ILE 37 -9.385 -1.272 -0.688 293 HA ILE 37 HA ILE 37 -10.214 -3.873 -0.359 294 HB ILE 37 HB ILE 37 -11.593 -1.281 0.229 295 HG12 ILE 37 1HG1 ILE 37 -9.343 -2.251 1.287 296 HG13 ILE 37 2HG1 ILE 37 -10.517 -1.369 2.251 297 HG21 ILE 37 1HG2 ILE 37 -13.074 -2.542 1.729 298 HG22 ILE 37 2HG2 ILE 37 -12.399 -4.051 1.112 299 HG23 ILE 37 3HG2 ILE 37 -13.312 -2.988 0.040 300 HD11 ILE 37 3HD1 ILE 37 -11.444 -3.502 3.021 301 HD12 ILE 37 1HD1 ILE 37 -9.730 -3.342 3.405 302 HD13 ILE 37 2HD1 ILE 37 -10.240 -4.353 2.054 303 H GLN 38 H GLN 38 -11.298 -5.223 -1.549 304 HA GLN 38 HA GLN 38 -12.616 -4.366 -3.963 305 HB2 GLN 38 1HB GLN 38 -12.280 -7.109 -2.729 306 HB3 GLN 38 2HB GLN 38 -12.944 -6.799 -4.326 307 HG2 GLN 38 1HG GLN 38 -10.846 -5.927 -5.092 308 HG3 GLN 38 2HG GLN 38 -10.165 -6.033 -3.470 309 HE21 GLN 38 1HE2 GLN 38 -12.233 -8.514 -4.808 310 HE22 GLN 38 2HE2 GLN 38 -11.002 -9.717 -4.979 311 HA PRO 39 HA PRO 39 -16.653 -4.270 -2.078 312 HB2 PRO 39 1HB PRO 39 -18.087 -3.707 -4.232 313 HB3 PRO 39 2HB PRO 39 -16.941 -2.520 -3.585 314 HG2 PRO 39 1HG PRO 39 -16.532 -4.513 -5.771 315 HG3 PRO 39 2HG PRO 39 -16.252 -2.762 -5.839 316 HD2 PRO 39 1HD PRO 39 -14.247 -4.495 -5.381 317 HD3 PRO 39 2HD PRO 39 -14.311 -2.922 -4.553 318 H SER 40 H SER 40 -18.860 -5.252 -2.622 319 HA SER 40 HA SER 40 -20.235 -6.972 -3.123 320 HB2 SER 40 1HB SER 40 -18.027 -8.060 -4.871 321 HB3 SER 40 2HB SER 40 -19.724 -8.541 -4.901 322 HG SER 40 HG SER 40 -20.246 -6.416 -5.560 323 H GLY 41 H GLY 41 -16.969 -8.342 -2.908 324 HA2 GLY 41 1HA GLY 41 -18.071 -10.349 -1.045 325 HA3 GLY 41 2HA GLY 41 -16.705 -10.633 -2.110 326 H SER 42 H SER 42 -17.552 -10.109 0.987 327 HA SER 42 HA SER 42 -16.561 -9.318 2.874 328 HB2 SER 42 1HB SER 42 -14.258 -10.202 3.195 329 HB3 SER 42 2HB SER 42 -15.403 -11.403 2.610 330 HG SER 42 HG SER 42 -13.435 -11.524 1.469 331 H ILE 43 H ILE 43 -13.461 -8.931 2.004 332 HA ILE 43 HA ILE 43 -13.688 -6.137 1.199 333 HB ILE 43 HB ILE 43 -11.619 -5.780 2.801 334 HG12 ILE 43 1HG1 ILE 43 -13.224 -7.831 4.343 335 HG13 ILE 43 2HG1 ILE 43 -11.686 -8.182 3.573 336 HG21 ILE 43 1HG2 ILE 43 -13.148 -4.877 4.499 337 HG22 ILE 43 2HG2 ILE 43 -14.482 -5.765 3.762 338 HG23 ILE 43 3HG2 ILE 43 -13.675 -4.480 2.863 339 HD11 ILE 43 3HD1 ILE 43 -11.427 -7.770 5.953 340 HD12 ILE 43 1HD1 ILE 43 -12.142 -6.169 5.762 341 HD13 ILE 43 2HD1 ILE 43 -10.594 -6.540 5.003 342 H ILE 44 H ILE 44 -10.781 -7.690 2.344 343 HA ILE 44 HA ILE 44 -9.914 -8.159 -0.412 344 HB ILE 44 HB ILE 44 -7.602 -7.515 0.379 345 HG12 ILE 44 1HG1 ILE 44 -9.229 -6.537 2.726 346 HG13 ILE 44 2HG1 ILE 44 -7.785 -7.544 2.750 347 HG21 ILE 44 1HG2 ILE 44 -9.758 -5.426 0.339 348 HG22 ILE 44 2HG2 ILE 44 -8.919 -6.088 -1.066 349 HG23 ILE 44 3HG2 ILE 44 -8.039 -5.102 0.106 350 HD11 ILE 44 3HD1 ILE 44 -6.466 -5.614 1.972 351 HD12 ILE 44 1HD1 ILE 44 -7.262 -5.320 3.518 352 HD13 ILE 44 2HD1 ILE 44 -7.922 -4.615 2.038 353 H ASP 45 H ASP 45 -11.109 -9.882 1.556 354 HA ASP 45 HA ASP 45 -8.929 -11.815 1.924 355 HB2 ASP 45 1HB ASP 45 -9.730 -10.860 4.093 356 HB3 ASP 45 2HB ASP 45 -11.340 -11.470 3.725 Start of MODEL 13 1 H PHE 1 1H PHE 1 11.068 -10.394 -1.070 2 HA PHE 1 HA PHE 1 9.055 -12.134 -2.354 3 HB2 PHE 1 1HB PHE 1 10.379 -12.254 0.358 4 HB3 PHE 1 2HB PHE 1 9.007 -13.245 -0.120 5 HD1 PHE 1 HD1 PHE 1 9.268 -15.050 -1.708 6 HD2 PHE 1 HD2 PHE 1 12.589 -12.669 -0.521 7 HE1 PHE 1 HE1 PHE 1 10.805 -16.727 -2.652 8 HE2 PHE 1 HE2 PHE 1 14.126 -14.338 -1.464 9 HZ PHE 1 HZ PHE 1 13.237 -16.368 -2.530 10 H PHE 2 H PHE 2 9.685 -9.332 -0.428 11 HA PHE 2 HA PHE 2 7.386 -9.169 1.118 12 HB2 PHE 2 1HB PHE 2 9.035 -6.996 -0.167 13 HB3 PHE 2 2HB PHE 2 7.689 -6.652 0.912 14 HD1 PHE 2 HD1 PHE 2 7.784 -7.808 3.240 15 HD2 PHE 2 HD2 PHE 2 11.157 -7.243 0.708 16 HE1 PHE 2 HE1 PHE 2 9.273 -8.024 5.183 17 HE2 PHE 2 HE2 PHE 2 12.654 -7.465 2.649 18 HZ PHE 2 HZ PHE 2 11.710 -7.857 4.890 19 H ASP 3 H ASP 3 7.884 -8.029 -2.232 20 HA ASP 3 HA ASP 3 5.048 -7.420 -2.318 21 HB2 ASP 3 1HB ASP 3 5.424 -6.307 -4.417 22 HB3 ASP 3 2HB ASP 3 6.562 -5.722 -3.211 23 H GLU 4 H GLU 4 6.847 -10.088 -2.867 24 HA GLU 4 HA GLU 4 5.257 -11.197 -4.985 25 HB2 GLU 4 1HB GLU 4 6.780 -12.569 -2.752 26 HB3 GLU 4 2HB GLU 4 5.978 -13.414 -4.065 27 HG2 GLU 4 1HG GLU 4 8.344 -11.579 -4.239 28 HG3 GLU 4 2HG GLU 4 8.289 -13.305 -4.570 29 H LYS 5 H LYS 5 5.167 -11.083 -1.480 30 HA LYS 5 HA LYS 5 2.667 -12.307 -1.085 31 HB2 LYS 5 1HB LYS 5 4.383 -11.707 0.673 32 HB3 LYS 5 2HB LYS 5 3.862 -10.039 0.512 33 HG2 LYS 5 1HG LYS 5 2.786 -10.956 2.417 34 HG3 LYS 5 2HG LYS 5 1.567 -10.768 1.153 35 HD2 LYS 5 1HD LYS 5 1.709 -13.125 0.619 36 HD3 LYS 5 2HD LYS 5 3.016 -13.337 1.785 37 HE2 LYS 5 1HE LYS 5 1.461 -12.627 3.580 38 HE3 LYS 5 2HE LYS 5 0.166 -12.562 2.386 39 HZ1 LYS 5 3HZ LYS 5 0.526 -14.932 1.959 40 HZ2 LYS 5 1HZ LYS 5 0.109 -14.643 3.573 41 HZ3 LYS 5 2HZ LYS 5 1.713 -14.972 3.157 42 H CYS 6 H CYS 6 3.643 -8.960 -1.679 43 HA CYS 6 HA CYS 6 1.175 -7.697 -1.471 44 HB2 CYS 6 1HB CYS 6 3.428 -6.594 -1.717 45 HB3 CYS 6 2HB CYS 6 3.395 -7.024 -3.421 46 HG CYS 6 HG CYS 6 1.562 -5.273 -4.213 47 H ASN 7 H ASN 7 2.714 -9.234 -4.259 48 HA ASN 7 HA ASN 7 0.803 -8.674 -6.211 49 HB2 ASN 7 1HB ASN 7 3.042 -9.664 -6.637 50 HB3 ASN 7 2HB ASN 7 2.480 -11.177 -5.948 51 HD21 ASN 7 1HD2 ASN 7 2.740 -12.363 -7.789 52 HD22 ASN 7 2HD2 ASN 7 1.753 -12.149 -9.194 53 H LYS 8 H LYS 8 1.070 -11.366 -3.964 54 HA LYS 8 HA LYS 8 -1.101 -12.852 -4.960 55 HB2 LYS 8 1HB LYS 8 0.721 -13.706 -3.450 56 HB3 LYS 8 2HB LYS 8 -0.081 -12.883 -2.119 57 HG2 LYS 8 1HG LYS 8 -0.639 -15.257 -2.183 58 HG3 LYS 8 2HG LYS 8 -2.065 -14.250 -2.441 59 HD2 LYS 8 1HD LYS 8 -1.910 -14.626 -4.840 60 HD3 LYS 8 2HD LYS 8 -0.454 -15.590 -4.608 61 HE2 LYS 8 1HE LYS 8 -1.729 -17.221 -3.324 62 HE3 LYS 8 2HE LYS 8 -3.183 -16.246 -3.507 63 HZ1 LYS 8 3HZ LYS 8 -3.046 -16.569 -5.903 64 HZ2 LYS 8 1HZ LYS 8 -3.147 -18.050 -5.097 65 HZ3 LYS 8 2HZ LYS 8 -1.665 -17.524 -5.713 66 H LEU 9 H LEU 9 -0.935 -10.245 -2.598 67 HA LEU 9 HA LEU 9 -3.764 -10.533 -1.980 68 HB2 LEU 9 1HB LEU 9 -1.608 -8.704 -0.970 69 HB3 LEU 9 2HB LEU 9 -3.295 -8.380 -0.637 70 HG LEU 9 HG LEU 9 -2.448 -9.473 1.272 71 HD11 LEU 9 1HD1 LEU 9 -3.843 -11.587 -0.350 72 HD12 LEU 9 2HD1 LEU 9 -4.639 -10.270 0.511 73 HD13 LEU 9 3HD1 LEU 9 -3.744 -11.497 1.408 74 HD21 LEU 9 3HD2 LEU 9 -1.347 -11.624 -0.521 75 HD22 LEU 9 1HD2 LEU 9 -1.231 -11.560 1.238 76 HD23 LEU 9 2HD2 LEU 9 -0.399 -10.352 0.252 77 H LYS 10 H LYS 10 -2.037 -9.213 -4.430 78 HA LYS 10 HA LYS 10 -2.611 -7.948 -6.217 79 HB2 LYS 10 1HB LYS 10 -5.349 -7.991 -4.944 80 HB3 LYS 10 2HB LYS 10 -5.013 -7.229 -6.487 81 HG2 LYS 10 1HG LYS 10 -5.865 -9.296 -7.081 82 HG3 LYS 10 2HG LYS 10 -4.121 -9.533 -7.198 83 HD2 LYS 10 1HD LYS 10 -4.128 -10.549 -4.961 84 HD3 LYS 10 2HD LYS 10 -5.878 -10.337 -4.883 85 HE2 LYS 10 1HE LYS 10 -6.147 -11.788 -6.822 86 HE3 LYS 10 2HE LYS 10 -4.398 -11.986 -6.927 87 HZ1 LYS 10 3HZ LYS 10 -5.319 -13.869 -5.817 88 HZ2 LYS 10 1HZ LYS 10 -6.163 -12.894 -4.721 89 HZ3 LYS 10 2HZ LYS 10 -4.475 -12.957 -4.668 90 H GLY 11 H GLY 11 -1.527 -6.777 -3.826 91 HA2 GLY 11 1HA GLY 11 -2.705 -4.077 -3.918 92 HA3 GLY 11 2HA GLY 11 -1.677 -4.690 -2.629 93 H THR 12 H THR 12 -0.648 -2.522 -3.167 94 HA THR 12 HA THR 12 1.656 -3.098 -4.855 95 HB THR 12 HB THR 12 0.156 -0.496 -5.196 96 HG1 THR 12 HG1 THR 12 -0.199 -2.980 -6.392 97 HG21 THR 12 1HG2 THR 12 1.581 -0.240 -7.169 98 HG22 THR 12 2HG2 THR 12 2.365 -1.776 -6.808 99 HG23 THR 12 3HG2 THR 12 2.551 -0.411 -5.708 100 H CYS 13 H CYS 13 3.495 -1.829 -4.300 101 HA CYS 13 HA CYS 13 3.384 -0.856 -1.558 102 HB2 CYS 13 1HB CYS 13 5.864 -1.062 -3.268 103 HB3 CYS 13 2HB CYS 13 5.742 -1.057 -1.516 104 HG CYS 13 HG CYS 13 5.244 -3.611 -3.675 105 H LYS 14 H LYS 14 2.882 1.198 -1.282 106 HA LYS 14 HA LYS 14 3.981 3.180 -3.147 107 HB2 LYS 14 1HB LYS 14 1.819 4.429 -2.955 108 HB3 LYS 14 2HB LYS 14 1.696 2.898 -3.812 109 HG2 LYS 14 1HG LYS 14 0.757 1.838 -1.853 110 HG3 LYS 14 2HG LYS 14 0.964 3.320 -0.921 111 HD2 LYS 14 1HD LYS 14 -1.339 3.097 -1.626 112 HD3 LYS 14 2HD LYS 14 -0.592 4.468 -2.442 113 HE2 LYS 14 1HE LYS 14 -0.320 3.156 -4.458 114 HE3 LYS 14 2HE LYS 14 -0.949 1.725 -3.643 115 HZ1 LYS 14 3HZ LYS 14 -3.058 2.923 -3.323 116 HZ2 LYS 14 1HZ LYS 14 -2.671 2.719 -4.961 117 HZ3 LYS 14 2HZ LYS 14 -2.445 4.221 -4.225 118 H ASN 15 H ASN 15 3.527 5.478 -2.178 119 HA ASN 15 HA ASN 15 4.944 5.629 0.279 120 HB2 ASN 15 1HB ASN 15 5.023 7.336 -1.544 121 HB3 ASN 15 2HB ASN 15 3.402 7.793 -1.091 122 HD21 ASN 15 1HD2 ASN 15 6.733 7.806 -0.122 123 HD22 ASN 15 2HD2 ASN 15 6.565 8.977 1.139 124 H ASN 16 H ASN 16 1.786 6.936 -0.564 125 HA ASN 16 HA ASN 16 0.800 6.188 2.116 126 HB2 ASN 16 1HB ASN 16 -0.617 8.199 2.074 127 HB3 ASN 16 2HB ASN 16 1.088 8.618 1.954 128 HD21 ASN 16 1HD2 ASN 16 1.917 9.254 -0.079 129 HD22 ASN 16 2HD2 ASN 16 0.878 9.934 -1.282 130 H CYS 17 H CYS 17 -1.297 5.400 2.256 131 HA CYS 17 HA CYS 17 -2.182 3.955 -0.035 132 HB2 CYS 17 1HB CYS 17 -3.822 4.327 2.458 133 HB3 CYS 17 2HB CYS 17 -3.740 2.934 1.391 134 HG CYS 17 HG CYS 17 -1.261 2.076 2.222 135 H GLY 18 H GLY 18 -4.026 4.190 -1.253 136 HA2 GLY 18 1HA GLY 18 -5.043 6.934 -1.360 137 HA3 GLY 18 2HA GLY 18 -5.183 5.721 -2.625 138 H LYS 19 H LYS 19 -7.407 6.319 -2.765 139 HA LYS 19 HA LYS 19 -9.230 6.268 -0.672 140 HB2 LYS 19 1HB LYS 19 -10.938 5.875 -2.523 141 HB3 LYS 19 2HB LYS 19 -9.936 7.310 -2.643 142 HG2 LYS 19 1HG LYS 19 -9.809 6.594 -4.789 143 HG3 LYS 19 2HG LYS 19 -8.440 5.708 -4.122 144 HD2 LYS 19 1HD LYS 19 -9.844 3.722 -3.860 145 HD3 LYS 19 2HD LYS 19 -11.227 4.614 -4.504 146 HE2 LYS 19 1HE LYS 19 -9.907 4.981 -6.594 147 HE3 LYS 19 2HE LYS 19 -8.679 3.898 -5.944 148 HZ1 LYS 19 3HZ LYS 19 -10.420 2.167 -5.804 149 HZ2 LYS 19 1HZ LYS 19 -10.108 2.673 -7.386 150 HZ3 LYS 19 2HZ LYS 19 -11.492 3.213 -6.585 151 H ASN 20 H ASN 20 -10.277 4.798 0.398 152 HA ASN 20 HA ASN 20 -10.560 2.803 1.417 153 HB2 ASN 20 1HB ASN 20 -11.892 1.173 0.015 154 HB3 ASN 20 2HB ASN 20 -12.545 2.796 0.166 155 HD21 ASN 20 1HD2 ASN 20 -11.058 0.491 -1.967 156 HD22 ASN 20 2HD2 ASN 20 -11.459 1.300 -3.440 157 H GLU 21 H GLU 21 -8.050 2.768 1.247 158 HA GLU 21 HA GLU 21 -7.406 0.049 0.318 159 HB2 GLU 21 1HB GLU 21 -5.592 2.453 0.601 160 HB3 GLU 21 2HB GLU 21 -4.996 0.825 0.335 161 HG2 GLU 21 1HG GLU 21 -6.570 0.897 -1.741 162 HG3 GLU 21 2HG GLU 21 -6.469 2.638 -1.517 163 H GLU 22 H GLU 22 -6.073 -1.223 1.735 164 HA GLU 22 HA GLU 22 -5.960 -0.205 4.500 165 HB2 GLU 22 1HB GLU 22 -6.433 -2.394 5.358 166 HB3 GLU 22 2HB GLU 22 -7.676 -2.010 4.178 167 HG2 GLU 22 1HG GLU 22 -6.621 -3.433 2.539 168 HG3 GLU 22 2HG GLU 22 -5.270 -3.731 3.629 169 H LEU 23 H LEU 23 -4.166 -0.963 5.775 170 HA LEU 23 HA LEU 23 -1.833 -1.569 4.138 171 HB2 LEU 23 1HB LEU 23 -2.143 0.052 6.303 172 HB3 LEU 23 2HB LEU 23 -1.429 -1.364 7.029 173 HG LEU 23 HG LEU 23 0.248 0.329 6.390 174 HD11 LEU 23 1HD1 LEU 23 1.789 -1.120 5.258 175 HD12 LEU 23 2HD1 LEU 23 0.465 -2.157 4.730 176 HD13 LEU 23 3HD1 LEU 23 0.864 -2.043 6.444 177 HD21 LEU 23 3HD2 LEU 23 -1.057 1.165 4.443 178 HD22 LEU 23 1HD2 LEU 23 -0.533 -0.266 3.559 179 HD23 LEU 23 2HD2 LEU 23 0.656 0.902 4.130 180 H ILE 24 H ILE 24 -0.638 -3.319 4.326 181 HA ILE 24 HA ILE 24 -1.842 -5.558 5.811 182 HB ILE 24 HB ILE 24 -2.204 -6.870 3.957 183 HG12 ILE 24 1HG1 ILE 24 -0.877 -5.748 1.746 184 HG13 ILE 24 2HG1 ILE 24 0.297 -5.739 3.058 185 HG21 ILE 24 1HG2 ILE 24 -2.400 -4.054 2.932 186 HG22 ILE 24 2HG2 ILE 24 -3.676 -5.029 3.665 187 HG23 ILE 24 3HG2 ILE 24 -3.037 -5.454 2.075 188 HD11 ILE 24 3HD1 ILE 24 0.455 -7.767 1.741 189 HD12 ILE 24 1HD1 ILE 24 -1.236 -8.131 2.085 190 HD13 ILE 24 2HD1 ILE 24 -0.052 -8.120 3.393 191 H ALA 25 H ALA 25 0.989 -4.136 4.327 192 HA ALA 25 HA ALA 25 2.732 -5.634 6.052 193 HB1 ALA 25 3HB ALA 25 2.956 -6.106 3.078 194 HB2 ALA 25 1HB ALA 25 2.348 -7.277 4.248 195 HB3 ALA 25 2HB ALA 25 4.025 -6.741 4.326 196 H LEU 26 H LEU 26 4.896 -4.915 5.952 197 HA LEU 26 HA LEU 26 5.094 -2.198 4.862 198 HB2 LEU 26 1HB LEU 26 6.398 -3.527 7.219 199 HB3 LEU 26 2HB LEU 26 6.883 -1.944 6.631 200 HG LEU 26 HG LEU 26 4.166 -2.684 7.734 201 HD11 LEU 26 1HD1 LEU 26 6.379 -0.987 8.872 202 HD12 LEU 26 2HD1 LEU 26 5.873 -2.574 9.453 203 HD13 LEU 26 3HD1 LEU 26 4.777 -1.198 9.579 204 HD21 LEU 26 3HD2 LEU 26 5.232 -0.072 6.674 205 HD22 LEU 26 1HD2 LEU 26 3.775 -0.218 7.654 206 HD23 LEU 26 2HD2 LEU 26 3.851 -0.989 6.074 207 H CYS 27 H CYS 27 6.732 -1.674 3.518 208 HA CYS 27 HA CYS 27 8.463 -3.897 2.662 209 HB2 CYS 27 1HB CYS 27 7.247 -1.628 1.071 210 HB3 CYS 27 2HB CYS 27 8.383 -2.793 0.409 211 HG CYS 27 HG CYS 27 6.043 -3.695 -0.577 212 H GLN 28 H GLN 28 10.375 -2.935 1.305 213 HA GLN 28 HA GLN 28 11.732 -0.966 2.963 214 HB2 GLN 28 1HB GLN 28 12.764 -2.569 0.621 215 HB3 GLN 28 2HB GLN 28 13.729 -1.521 1.643 216 HG2 GLN 28 1HG GLN 28 13.244 -2.944 3.568 217 HG3 GLN 28 2HG GLN 28 12.287 -4.006 2.539 218 HE21 GLN 28 1HE2 GLN 28 13.620 -5.749 3.041 219 HE22 GLN 28 2HE2 GLN 28 15.198 -5.918 2.359 220 H LYS 29 H LYS 29 13.190 0.570 1.608 221 HA LYS 29 HA LYS 29 13.425 2.306 0.140 222 HB2 LYS 29 1HB LYS 29 11.301 0.870 -1.434 223 HB3 LYS 29 2HB LYS 29 12.246 2.229 -2.022 224 HG2 LYS 29 1HG LYS 29 14.261 0.943 -1.957 225 HG3 LYS 29 2HG LYS 29 13.438 -0.393 -1.150 226 HD2 LYS 29 1HD LYS 29 12.820 0.611 -3.928 227 HD3 LYS 29 2HD LYS 29 13.795 -0.810 -3.554 228 HE2 LYS 29 1HE LYS 29 11.845 -1.799 -2.400 229 HE3 LYS 29 2HE LYS 29 10.883 -0.401 -2.877 230 HZ1 LYS 29 3HZ LYS 29 12.156 -2.371 -4.694 231 HZ2 LYS 29 1HZ LYS 29 11.352 -0.975 -5.204 232 HZ3 LYS 29 2HZ LYS 29 10.504 -2.190 -4.399 233 H SER 30 H SER 30 11.404 2.178 2.286 234 HA SER 30 HA SER 30 9.946 3.598 3.287 235 HB2 SER 30 1HB SER 30 11.304 5.430 2.371 236 HB3 SER 30 2HB SER 30 10.397 5.359 0.861 237 HG SER 30 HG SER 30 8.498 5.798 2.217 238 H LEU 31 H LEU 31 9.231 1.557 1.202 239 HA LEU 31 HA LEU 31 6.565 2.552 0.468 240 HB2 LEU 31 1HB LEU 31 8.173 0.219 -0.589 241 HB3 LEU 31 2HB LEU 31 6.529 0.569 -1.059 242 HG LEU 31 HG LEU 31 8.892 2.386 -1.531 243 HD11 LEU 31 1HD1 LEU 31 8.973 0.352 -2.888 244 HD12 LEU 31 2HD1 LEU 31 8.636 1.774 -3.872 245 HD13 LEU 31 3HD1 LEU 31 7.333 0.663 -3.453 246 HD21 LEU 31 3HD2 LEU 31 6.014 2.581 -2.402 247 HD22 LEU 31 1HD2 LEU 31 7.318 3.636 -2.949 248 HD23 LEU 31 2HD2 LEU 31 6.835 3.638 -1.253 249 H LYS 32 H LYS 32 4.719 1.261 0.957 250 HA LYS 32 HA LYS 32 5.220 -1.257 2.322 251 HB2 LYS 32 1HB LYS 32 3.860 -0.814 4.179 252 HB3 LYS 32 2HB LYS 32 4.890 0.593 4.005 253 HG2 LYS 32 1HG LYS 32 2.086 0.492 2.970 254 HG3 LYS 32 2HG LYS 32 2.494 1.002 4.614 255 HD2 LYS 32 1HD LYS 32 3.973 2.747 3.616 256 HD3 LYS 32 2HD LYS 32 3.377 2.282 2.022 257 HE2 LYS 32 1HE LYS 32 2.109 4.171 2.708 258 HE3 LYS 32 2HE LYS 32 1.058 2.765 2.858 259 HZ1 LYS 32 3HZ LYS 32 2.501 4.122 5.072 260 HZ2 LYS 32 1HZ LYS 32 1.560 2.728 5.247 261 HZ3 LYS 32 2HZ LYS 32 0.838 4.181 4.780 262 H CYS 33 H CYS 33 3.330 -2.667 2.380 263 HA CYS 33 HA CYS 33 2.160 -2.613 -0.235 264 HB2 CYS 33 1HB CYS 33 2.984 -4.703 0.831 265 HB3 CYS 33 2HB CYS 33 1.689 -4.573 2.017 266 HG CYS 33 HG CYS 33 1.116 -4.853 -1.340 267 H CYS 34 H CYS 34 0.537 -1.328 -0.608 268 HA CYS 34 HA CYS 34 -1.707 -1.269 1.295 269 HB2 CYS 34 1HB CYS 34 -1.178 0.680 -0.955 270 HB3 CYS 34 2HB CYS 34 -2.309 0.864 0.382 271 HG CYS 34 HG CYS 34 1.065 0.694 0.887 272 H ARG 35 H ARG 35 -3.545 -2.245 0.646 273 HA ARG 35 HA ARG 35 -3.790 -2.834 -2.222 274 HB2 ARG 35 1HB ARG 35 -4.810 -4.995 -1.653 275 HB3 ARG 35 2HB ARG 35 -3.177 -4.868 -1.048 276 HG2 ARG 35 1HG ARG 35 -4.133 -4.314 1.175 277 HG3 ARG 35 2HG ARG 35 -5.726 -4.668 0.512 278 HD2 ARG 35 1HD ARG 35 -3.445 -6.609 0.382 279 HD3 ARG 35 2HD ARG 35 -4.571 -6.583 1.738 280 HE ARG 35 HE ARG 35 -5.299 -7.154 -1.074 281 HH11 ARG 35 1HH1 ARG 35 -5.857 -7.516 2.367 282 HH12 ARG 35 2HH1 ARG 35 -7.096 -8.716 2.166 283 HH21 ARG 35 1HH2 ARG 35 -6.900 -8.761 -1.327 284 HH22 ARG 35 2HH2 ARG 35 -7.675 -9.436 0.079 285 H THR 36 H THR 36 -5.550 -2.193 -3.156 286 HA THR 36 HA THR 36 -7.444 -0.617 -1.759 287 HB THR 36 HB THR 36 -7.804 -1.597 -4.575 288 HG1 THR 36 HG1 THR 36 -5.757 0.023 -3.528 289 HG21 THR 36 1HG2 THR 36 -8.716 0.646 -4.917 290 HG22 THR 36 2HG2 THR 36 -8.338 1.067 -3.247 291 HG23 THR 36 3HG2 THR 36 -9.549 -0.167 -3.593 292 H ILE 37 H ILE 37 -9.381 -1.087 -1.017 293 HA ILE 37 HA ILE 37 -10.385 -3.648 -0.664 294 HB ILE 37 HB ILE 37 -11.878 -1.036 -0.783 295 HG12 ILE 37 1HG1 ILE 37 -9.829 -1.362 0.742 296 HG13 ILE 37 2HG1 ILE 37 -11.302 -0.760 1.471 297 HG21 ILE 37 1HG2 ILE 37 -13.532 -2.140 0.649 298 HG22 ILE 37 2HG2 ILE 37 -12.637 -3.653 0.520 299 HG23 ILE 37 3HG2 ILE 37 -13.395 -2.953 -0.910 300 HD11 ILE 37 3HD1 ILE 37 -10.432 -3.625 1.521 301 HD12 ILE 37 1HD1 ILE 37 -11.758 -2.905 2.429 302 HD13 ILE 37 2HD1 ILE 37 -10.087 -2.464 2.801 303 H GLN 38 H GLN 38 -11.329 -5.036 -1.987 304 HA GLN 38 HA GLN 38 -11.345 -4.637 -4.742 305 HB2 GLN 38 1HB GLN 38 -12.661 -6.762 -3.054 306 HB3 GLN 38 2HB GLN 38 -12.601 -6.817 -4.810 307 HG2 GLN 38 1HG GLN 38 -10.235 -6.808 -2.947 308 HG3 GLN 38 2HG GLN 38 -10.855 -8.190 -3.850 309 HE21 GLN 38 1HE2 GLN 38 -10.578 -8.254 -6.090 310 HE22 GLN 38 2HE2 GLN 38 -9.399 -7.272 -6.889 311 HA PRO 39 HA PRO 39 -15.096 -2.732 -5.918 312 HB2 PRO 39 1HB PRO 39 -15.533 -4.925 -7.865 313 HB3 PRO 39 2HB PRO 39 -15.396 -3.185 -8.138 314 HG2 PRO 39 1HG PRO 39 -13.404 -4.821 -8.795 315 HG3 PRO 39 2HG PRO 39 -13.079 -3.225 -8.093 316 HD2 PRO 39 1HD PRO 39 -12.994 -5.920 -6.796 317 HD3 PRO 39 2HD PRO 39 -11.900 -4.536 -6.598 318 H SER 40 H SER 40 -17.440 -3.539 -6.836 319 HA SER 40 HA SER 40 -18.935 -4.077 -4.648 320 HB2 SER 40 1HB SER 40 -19.635 -4.830 -7.482 321 HB3 SER 40 2HB SER 40 -20.785 -4.612 -6.164 322 HG SER 40 HG SER 40 -20.057 -2.431 -6.017 323 H GLY 41 H GLY 41 -17.639 -6.511 -6.838 324 HA2 GLY 41 1HA GLY 41 -19.111 -8.685 -5.758 325 HA3 GLY 41 2HA GLY 41 -17.669 -8.810 -6.747 326 H SER 42 H SER 42 -18.947 -9.497 -3.828 327 HA SER 42 HA SER 42 -18.194 -10.160 -1.817 328 HB2 SER 42 1HB SER 42 -15.622 -10.629 -3.329 329 HB3 SER 42 2HB SER 42 -16.041 -11.325 -1.764 330 HG SER 42 HG SER 42 -18.046 -11.838 -3.408 331 H ILE 43 H ILE 43 -15.886 -9.994 -0.436 332 HA ILE 43 HA ILE 43 -15.530 -7.129 -0.053 333 HB ILE 43 HB ILE 43 -14.127 -7.993 1.944 334 HG12 ILE 43 1HG1 ILE 43 -15.804 -10.458 1.549 335 HG13 ILE 43 2HG1 ILE 43 -14.175 -10.363 0.891 336 HG21 ILE 43 1HG2 ILE 43 -17.108 -8.453 1.841 337 HG22 ILE 43 2HG2 ILE 43 -16.304 -6.917 2.164 338 HG23 ILE 43 3HG2 ILE 43 -16.148 -8.252 3.306 339 HD11 ILE 43 3HD1 ILE 43 -13.304 -9.987 3.148 340 HD12 ILE 43 1HD1 ILE 43 -14.204 -11.499 3.036 341 HD13 ILE 43 2HD1 ILE 43 -14.944 -10.087 3.790 342 H ILE 44 H ILE 44 -13.014 -6.975 1.003 343 HA ILE 44 HA ILE 44 -11.344 -7.329 -1.326 344 HB ILE 44 HB ILE 44 -11.183 -5.284 0.048 345 HG12 ILE 44 1HG1 ILE 44 -8.690 -6.990 -0.086 346 HG13 ILE 44 2HG1 ILE 44 -9.272 -5.868 -1.309 347 HG21 ILE 44 1HG2 ILE 44 -10.033 -7.101 2.155 348 HG22 ILE 44 2HG2 ILE 44 -11.599 -6.292 2.223 349 HG23 ILE 44 3HG2 ILE 44 -10.113 -5.341 2.232 350 HD11 ILE 44 3HD1 ILE 44 -8.146 -5.201 1.395 351 HD12 ILE 44 1HD1 ILE 44 -8.911 -4.015 0.334 352 HD13 ILE 44 2HD1 ILE 44 -7.452 -4.852 -0.186 353 H ASP 45 H ASP 45 -11.796 -8.780 1.793 354 HA ASP 45 HA ASP 45 -10.881 -10.513 2.917 355 HB2 ASP 45 1HB ASP 45 -11.589 -11.772 0.893 356 HB3 ASP 45 2HB ASP 45 -10.002 -11.484 0.186 Start of MODEL 14 1 H PHE 1 1H PHE 1 9.455 -11.053 -1.623 2 HA PHE 1 HA PHE 1 8.521 -12.986 -0.542 3 HB2 PHE 1 1HB PHE 1 10.218 -12.049 1.778 4 HB3 PHE 1 2HB PHE 1 8.950 -13.263 1.898 5 HD1 PHE 1 HD2 PHE 1 9.227 -15.453 0.871 6 HD2 PHE 1 HD1 PHE 1 12.340 -12.558 0.766 7 HE1 PHE 1 HE2 PHE 1 10.828 -17.205 0.231 8 HE2 PHE 1 HE1 PHE 1 13.946 -14.305 0.121 9 HZ PHE 1 HZ PHE 1 13.193 -16.632 -0.146 10 H PHE 2 H PHE 2 9.189 -9.775 0.804 11 HA PHE 2 HA PHE 2 6.746 -9.470 2.163 12 HB2 PHE 2 1HB PHE 2 8.646 -7.427 1.010 13 HB3 PHE 2 2HB PHE 2 7.228 -6.994 1.956 14 HD1 PHE 2 HD2 PHE 2 7.046 -8.149 4.291 15 HD2 PHE 2 HD1 PHE 2 10.658 -7.730 2.082 16 HE1 PHE 2 HE2 PHE 2 8.341 -8.418 6.364 17 HE2 PHE 2 HE1 PHE 2 11.958 -7.997 4.153 18 HZ PHE 2 HZ PHE 2 10.801 -8.341 6.297 19 H ASP 3 H ASP 3 7.716 -8.232 -1.062 20 HA ASP 3 HA ASP 3 4.965 -7.510 -1.542 21 HB2 ASP 3 1HB ASP 3 5.683 -6.549 -3.629 22 HB3 ASP 3 2HB ASP 3 6.709 -5.990 -2.319 23 H GLU 4 H GLU 4 6.672 -10.291 -1.850 24 HA GLU 4 HA GLU 4 5.351 -11.396 -4.116 25 HB2 GLU 4 1HB GLU 4 7.345 -12.442 -2.987 26 HB3 GLU 4 2HB GLU 4 6.298 -12.862 -1.638 27 HG2 GLU 4 1HG GLU 4 4.928 -14.227 -3.141 28 HG3 GLU 4 2HG GLU 4 6.004 -13.821 -4.477 29 H LYS 5 H LYS 5 4.723 -11.210 -0.666 30 HA LYS 5 HA LYS 5 2.128 -12.326 -0.711 31 HB2 LYS 5 1HB LYS 5 3.570 -11.927 1.329 32 HB3 LYS 5 2HB LYS 5 3.182 -10.222 1.183 33 HG2 LYS 5 1HG LYS 5 1.782 -11.237 2.853 34 HG3 LYS 5 2HG LYS 5 0.800 -10.752 1.471 35 HD2 LYS 5 1HD LYS 5 0.123 -12.948 2.256 36 HD3 LYS 5 2HD LYS 5 0.842 -13.072 0.650 37 HE2 LYS 5 1HE LYS 5 2.957 -13.789 1.658 38 HE3 LYS 5 2HE LYS 5 2.233 -13.667 3.261 39 HZ1 LYS 5 3HZ LYS 5 0.677 -15.392 2.671 40 HZ2 LYS 5 1HZ LYS 5 2.254 -15.944 2.418 41 HZ3 LYS 5 2HZ LYS 5 1.302 -15.478 1.104 42 H CYS 6 H CYS 6 3.402 -9.062 -1.174 43 HA CYS 6 HA CYS 6 1.010 -7.627 -1.203 44 HB2 CYS 6 1HB CYS 6 3.329 -6.647 -1.217 45 HB3 CYS 6 2HB CYS 6 3.453 -7.087 -2.913 46 HG CYS 6 HG CYS 6 1.489 -5.354 -3.792 47 H ASN 7 H ASN 7 2.712 -9.289 -3.827 48 HA ASN 7 HA ASN 7 0.934 -8.585 -5.888 49 HB2 ASN 7 1HB ASN 7 3.174 -9.446 -6.333 50 HB3 ASN 7 2HB ASN 7 2.703 -10.993 -5.657 51 HD21 ASN 7 1HD2 ASN 7 2.311 -8.803 -8.324 52 HD22 ASN 7 2HD2 ASN 7 1.634 -9.952 -9.428 53 H LYS 8 H LYS 8 0.952 -11.219 -3.575 54 HA LYS 8 HA LYS 8 -1.154 -12.703 -4.765 55 HB2 LYS 8 1HB LYS 8 0.464 -13.645 -3.134 56 HB3 LYS 8 2HB LYS 8 -0.264 -12.665 -1.874 57 HG2 LYS 8 1HG LYS 8 -1.058 -14.945 -1.748 58 HG3 LYS 8 2HG LYS 8 -2.378 -13.852 -2.160 59 HD2 LYS 8 1HD LYS 8 -2.684 -15.692 -3.573 60 HD3 LYS 8 2HD LYS 8 -1.905 -14.489 -4.595 61 HE2 LYS 8 1HE LYS 8 -0.426 -16.701 -3.180 62 HE3 LYS 8 2HE LYS 8 -1.031 -16.832 -4.827 63 HZ1 LYS 8 3HZ LYS 8 0.356 -14.826 -5.336 64 HZ2 LYS 8 1HZ LYS 8 1.228 -16.225 -4.957 65 HZ3 LYS 8 2HZ LYS 8 1.062 -15.001 -3.810 66 H LEU 9 H LEU 9 -1.043 -10.067 -2.449 67 HA LEU 9 HA LEU 9 -3.906 -10.137 -2.016 68 HB2 LEU 9 1HB LEU 9 -1.686 -8.375 -1.055 69 HB3 LEU 9 2HB LEU 9 -3.344 -7.835 -0.911 70 HG LEU 9 HG LEU 9 -2.660 -8.777 1.180 71 HD11 LEU 9 1HD1 LEU 9 -4.333 -10.484 1.506 72 HD12 LEU 9 2HD1 LEU 9 -4.444 -10.744 -0.233 73 HD13 LEU 9 3HD1 LEU 9 -4.958 -9.207 0.462 74 HD21 LEU 9 3HD2 LEU 9 -2.002 -11.311 -0.307 75 HD22 LEU 9 1HD2 LEU 9 -1.898 -11.059 1.436 76 HD23 LEU 9 2HD2 LEU 9 -0.826 -10.171 0.350 77 H LYS 10 H LYS 10 -1.923 -9.080 -4.429 78 HA LYS 10 HA LYS 10 -2.283 -7.935 -6.348 79 HB2 LYS 10 1HB LYS 10 -5.145 -7.774 -5.383 80 HB3 LYS 10 2HB LYS 10 -4.598 -7.368 -7.001 81 HG2 LYS 10 1HG LYS 10 -4.387 -10.093 -5.734 82 HG3 LYS 10 2HG LYS 10 -5.641 -9.590 -6.868 83 HD2 LYS 10 1HD LYS 10 -2.683 -9.628 -7.461 84 HD3 LYS 10 2HD LYS 10 -3.826 -10.885 -7.937 85 HE2 LYS 10 1HE LYS 10 -5.082 -9.212 -9.239 86 HE3 LYS 10 2HE LYS 10 -3.887 -7.995 -8.796 87 HZ1 LYS 10 3HZ LYS 10 -3.426 -8.866 -10.979 88 HZ2 LYS 10 1HZ LYS 10 -3.375 -10.450 -10.387 89 HZ3 LYS 10 2HZ LYS 10 -2.195 -9.334 -9.918 90 H GLY 11 H GLY 11 -1.363 -6.593 -4.028 91 HA2 GLY 11 1HA GLY 11 -2.508 -3.898 -4.437 92 HA3 GLY 11 2HA GLY 11 -1.742 -4.430 -2.946 93 H THR 12 H THR 12 -0.769 -2.168 -3.803 94 HA THR 12 HA THR 12 1.778 -2.896 -5.110 95 HB THR 12 HB THR 12 0.539 -0.161 -5.338 96 HG1 THR 12 HG1 THR 12 -0.941 -1.581 -6.303 97 HG21 THR 12 1HG2 THR 12 2.569 -1.635 -7.020 98 HG22 THR 12 2HG2 THR 12 2.921 -0.357 -5.857 99 HG23 THR 12 3HG2 THR 12 1.988 0.006 -7.308 100 H CYS 13 H CYS 13 3.642 -1.818 -4.319 101 HA CYS 13 HA CYS 13 3.418 -0.925 -1.575 102 HB2 CYS 13 1HB CYS 13 5.986 -0.849 -3.135 103 HB3 CYS 13 2HB CYS 13 5.731 -1.169 -1.425 104 HG CYS 13 HG CYS 13 5.820 -3.298 -3.983 105 H LYS 14 H LYS 14 2.610 1.063 -1.388 106 HA LYS 14 HA LYS 14 3.911 3.204 -2.925 107 HB2 LYS 14 1HB LYS 14 1.753 4.429 -2.886 108 HB3 LYS 14 2HB LYS 14 1.674 2.932 -3.803 109 HG2 LYS 14 1HG LYS 14 0.609 1.831 -1.885 110 HG3 LYS 14 2HG LYS 14 0.657 3.358 -1.002 111 HD2 LYS 14 1HD LYS 14 -1.537 3.082 -1.931 112 HD3 LYS 14 2HD LYS 14 -0.716 4.377 -2.804 113 HE2 LYS 14 1HE LYS 14 -0.215 2.856 -4.631 114 HE3 LYS 14 2HE LYS 14 -0.942 1.517 -3.744 115 HZ1 LYS 14 3HZ LYS 14 -3.067 2.785 -3.796 116 HZ2 LYS 14 1HZ LYS 14 -2.509 2.305 -5.325 117 HZ3 LYS 14 2HZ LYS 14 -2.322 3.908 -4.827 118 H ASN 15 H ASN 15 3.640 5.382 -1.789 119 HA ASN 15 HA ASN 15 4.669 5.039 0.841 120 HB2 ASN 15 1HB ASN 15 4.084 7.426 -0.874 121 HB3 ASN 15 2HB ASN 15 4.573 7.615 0.804 122 HD21 ASN 15 1HD2 ASN 15 6.661 6.990 1.420 123 HD22 ASN 15 2HD2 ASN 15 7.919 6.770 0.252 124 H ASN 16 H ASN 16 1.694 6.499 -0.456 125 HA ASN 16 HA ASN 16 0.506 6.128 2.217 126 HB2 ASN 16 1HB ASN 16 -0.695 8.184 2.029 127 HB3 ASN 16 2HB ASN 16 0.978 8.551 1.626 128 HD21 ASN 16 1HD2 ASN 16 1.527 8.853 -0.587 129 HD22 ASN 16 2HD2 ASN 16 0.329 9.367 -1.724 130 H CYS 17 H CYS 17 -1.576 5.327 2.259 131 HA CYS 17 HA CYS 17 -2.356 3.774 0.010 132 HB2 CYS 17 1HB CYS 17 -4.033 4.418 2.440 133 HB3 CYS 17 2HB CYS 17 -4.188 3.031 1.374 134 HG CYS 17 HG CYS 17 -1.422 2.269 2.176 135 H GLY 18 H GLY 18 -4.014 4.061 -1.426 136 HA2 GLY 18 1HA GLY 18 -4.964 6.789 -1.746 137 HA3 GLY 18 2HA GLY 18 -5.144 5.473 -2.898 138 H LYS 19 H LYS 19 -7.351 6.168 -3.120 139 HA LYS 19 HA LYS 19 -9.176 6.299 -1.022 140 HB2 LYS 19 1HB LYS 19 -10.919 5.900 -2.812 141 HB3 LYS 19 2HB LYS 19 -9.833 7.251 -3.080 142 HG2 LYS 19 1HG LYS 19 -9.865 6.340 -5.166 143 HG3 LYS 19 2HG LYS 19 -8.492 5.473 -4.484 144 HD2 LYS 19 1HD LYS 19 -9.910 3.559 -3.999 145 HD3 LYS 19 2HD LYS 19 -11.324 4.432 -4.589 146 HE2 LYS 19 1HE LYS 19 -10.522 2.880 -6.275 147 HE3 LYS 19 2HE LYS 19 -10.315 4.542 -6.821 148 HZ1 LYS 19 3HZ LYS 19 -8.180 2.830 -5.671 149 HZ2 LYS 19 1HZ LYS 19 -7.983 4.413 -6.224 150 HZ3 LYS 19 2HZ LYS 19 -8.377 3.180 -7.310 151 H ASN 20 H ASN 20 -9.934 4.869 0.293 152 HA ASN 20 HA ASN 20 -10.575 2.935 1.272 153 HB2 ASN 20 1HB ASN 20 -12.245 3.155 -0.622 154 HB3 ASN 20 2HB ASN 20 -11.273 1.988 -1.510 155 HD21 ASN 20 1HD2 ASN 20 -13.071 0.597 -1.558 156 HD22 ASN 20 2HD2 ASN 20 -13.522 -0.333 -0.172 157 H GLU 21 H GLU 21 -7.869 3.061 0.829 158 HA GLU 21 HA GLU 21 -7.236 0.233 0.314 159 HB2 GLU 21 1HB GLU 21 -5.566 2.700 -0.144 160 HB3 GLU 21 2HB GLU 21 -4.854 1.098 -0.050 161 HG2 GLU 21 1HG GLU 21 -6.405 0.427 -1.907 162 HG3 GLU 21 2HG GLU 21 -6.817 2.129 -2.073 163 H GLU 22 H GLU 22 -6.146 -0.883 1.826 164 HA GLU 22 HA GLU 22 -5.593 0.520 4.350 165 HB2 GLU 22 1HB GLU 22 -6.004 -1.547 5.499 166 HB3 GLU 22 2HB GLU 22 -7.342 -1.275 4.395 167 HG2 GLU 22 1HG GLU 22 -6.514 -2.905 2.871 168 HG3 GLU 22 2HG GLU 22 -5.004 -3.054 3.769 169 H LEU 23 H LEU 23 -3.712 -0.148 5.558 170 HA LEU 23 HA LEU 23 -1.448 -0.724 3.849 171 HB2 LEU 23 1HB LEU 23 -1.717 0.850 6.027 172 HB3 LEU 23 2HB LEU 23 -1.139 -0.615 6.795 173 HG LEU 23 HG LEU 23 0.933 -0.543 5.576 174 HD11 LEU 23 1HD1 LEU 23 0.332 0.083 3.410 175 HD12 LEU 23 2HD1 LEU 23 1.288 1.443 4.004 176 HD13 LEU 23 3HD1 LEU 23 -0.471 1.556 3.958 177 HD21 LEU 23 3HD2 LEU 23 0.791 0.916 7.527 178 HD22 LEU 23 1HD2 LEU 23 0.195 2.229 6.511 179 HD23 LEU 23 2HD2 LEU 23 1.831 1.611 6.284 180 H ILE 24 H ILE 24 -0.776 -2.679 3.448 181 HA ILE 24 HA ILE 24 -1.918 -4.872 5.029 182 HB ILE 24 HB ILE 24 -2.185 -6.107 3.129 183 HG12 ILE 24 1HG1 ILE 24 -0.227 -4.627 1.434 184 HG13 ILE 24 2HG1 ILE 24 0.421 -5.702 2.671 185 HG21 ILE 24 1HG2 ILE 24 -2.806 -4.622 1.244 186 HG22 ILE 24 2HG2 ILE 24 -2.087 -3.271 2.121 187 HG23 ILE 24 3HG2 ILE 24 -3.479 -4.119 2.795 188 HD11 ILE 24 3HD1 ILE 24 0.251 -6.853 0.582 189 HD12 ILE 24 1HD1 ILE 24 -1.463 -6.451 0.465 190 HD13 ILE 24 2HD1 ILE 24 -0.895 -7.528 1.740 191 H ALA 25 H ALA 25 1.097 -3.579 3.799 192 HA ALA 25 HA ALA 25 2.643 -5.298 5.504 193 HB1 ALA 25 3HB ALA 25 3.872 -6.465 3.756 194 HB2 ALA 25 1HB ALA 25 2.863 -5.712 2.521 195 HB3 ALA 25 2HB ALA 25 2.153 -6.852 3.663 196 H LEU 26 H LEU 26 5.031 -5.031 4.946 197 HA LEU 26 HA LEU 26 5.508 -2.244 4.155 198 HB2 LEU 26 1HB LEU 26 5.620 -2.379 6.523 199 HB3 LEU 26 2HB LEU 26 6.622 -3.809 6.471 200 HG LEU 26 HG LEU 26 8.422 -2.370 5.441 201 HD11 LEU 26 1HD1 LEU 26 6.409 -0.234 6.108 202 HD12 LEU 26 2HD1 LEU 26 7.219 -0.546 4.568 203 HD13 LEU 26 3HD1 LEU 26 8.137 0.096 5.930 204 HD21 LEU 26 3HD2 LEU 26 9.064 -1.344 7.568 205 HD22 LEU 26 1HD2 LEU 26 8.461 -2.986 7.797 206 HD23 LEU 26 2HD2 LEU 26 7.432 -1.607 8.185 207 H CYS 27 H CYS 27 7.382 -1.824 3.076 208 HA CYS 27 HA CYS 27 8.829 -4.171 2.052 209 HB2 CYS 27 1HB CYS 27 7.261 -2.120 0.577 210 HB3 CYS 27 2HB CYS 27 8.746 -2.686 -0.173 211 HG CYS 27 HG CYS 27 5.791 -4.123 -0.071 212 H GLN 28 H GLN 28 10.636 -3.192 0.452 213 HA GLN 28 HA GLN 28 12.436 -1.767 2.134 214 HB2 GLN 28 1HB GLN 28 12.674 -2.308 -0.823 215 HB3 GLN 28 2HB GLN 28 13.978 -1.856 0.258 216 HG2 GLN 28 1HG GLN 28 13.790 -3.937 1.443 217 HG3 GLN 28 2HG GLN 28 12.377 -4.391 0.494 218 HE21 GLN 28 1HE2 GLN 28 15.828 -4.063 0.525 219 HE22 GLN 28 2HE2 GLN 28 16.123 -4.905 -0.956 220 H LYS 29 H LYS 29 13.652 0.180 1.165 221 HA LYS 29 HA LYS 29 13.639 2.416 0.711 222 HB2 LYS 29 1HB LYS 29 11.328 1.685 -1.080 223 HB3 LYS 29 2HB LYS 29 12.187 3.216 -1.115 224 HG2 LYS 29 1HG LYS 29 14.236 2.034 -1.770 225 HG3 LYS 29 2HG LYS 29 13.344 0.511 -1.758 226 HD2 LYS 29 1HD LYS 29 12.780 2.893 -3.529 227 HD3 LYS 29 2HD LYS 29 13.543 1.384 -4.030 228 HE2 LYS 29 1HE LYS 29 11.506 0.159 -3.515 229 HE3 LYS 29 2HE LYS 29 10.744 1.636 -2.932 230 HZ1 LYS 29 3HZ LYS 29 11.629 1.124 -5.718 231 HZ2 LYS 29 1HZ LYS 29 10.933 2.561 -5.163 232 HZ3 LYS 29 2HZ LYS 29 10.034 1.133 -5.167 233 H SER 30 H SER 30 11.714 1.085 2.661 234 HA SER 30 HA SER 30 10.132 1.549 4.169 235 HB2 SER 30 1HB SER 30 9.861 3.801 4.996 236 HB3 SER 30 2HB SER 30 11.563 3.520 4.650 237 HG SER 30 HG SER 30 10.795 4.512 2.467 238 H LEU 31 H LEU 31 9.426 1.292 1.249 239 HA LEU 31 HA LEU 31 6.918 2.672 1.017 240 HB2 LEU 31 1HB LEU 31 8.346 0.526 -0.508 241 HB3 LEU 31 2HB LEU 31 6.643 0.774 -0.790 242 HG LEU 31 HG LEU 31 8.313 1.927 -2.348 243 HD11 LEU 31 1HD1 LEU 31 6.204 3.617 -1.013 244 HD12 LEU 31 2HD1 LEU 31 5.904 2.416 -2.271 245 HD13 LEU 31 3HD1 LEU 31 6.865 3.849 -2.632 246 HD21 LEU 31 3HD2 LEU 31 8.475 3.839 -0.034 247 HD22 LEU 31 1HD2 LEU 31 9.122 4.103 -1.653 248 HD23 LEU 31 2HD2 LEU 31 9.793 2.833 -0.631 249 H LYS 32 H LYS 32 4.824 1.676 1.138 250 HA LYS 32 HA LYS 32 4.797 -0.876 2.600 251 HB2 LYS 32 1HB LYS 32 3.231 1.614 3.187 252 HB3 LYS 32 2HB LYS 32 2.645 0.034 3.683 253 HG2 LYS 32 1HG LYS 32 3.760 0.526 5.571 254 HG3 LYS 32 2HG LYS 32 5.123 -0.099 4.653 255 HD2 LYS 32 1HD LYS 32 5.920 1.907 5.546 256 HD3 LYS 32 2HD LYS 32 5.502 2.306 3.882 257 HE2 LYS 32 1HE LYS 32 3.615 2.764 6.181 258 HE3 LYS 32 2HE LYS 32 4.804 3.963 5.684 259 HZ1 LYS 32 3HZ LYS 32 2.714 4.448 4.662 260 HZ2 LYS 32 1HZ LYS 32 2.586 2.886 4.034 261 HZ3 LYS 32 2HZ LYS 32 3.782 3.932 3.458 262 H CYS 33 H CYS 33 3.090 -2.266 2.180 263 HA CYS 33 HA CYS 33 2.121 -1.989 -0.529 264 HB2 CYS 33 1HB CYS 33 1.924 -4.242 1.470 265 HB3 CYS 33 2HB CYS 33 1.385 -4.330 -0.199 266 HG CYS 33 HG CYS 33 3.854 -4.199 -1.344 267 H CYS 34 H CYS 34 0.125 -1.430 -1.079 268 HA CYS 34 HA CYS 34 -1.923 -1.369 1.039 269 HB2 CYS 34 1HB CYS 34 -1.630 0.567 -1.270 270 HB3 CYS 34 2HB CYS 34 -2.835 0.644 0.012 271 HG CYS 34 HG CYS 34 0.498 0.824 0.717 272 H ARG 35 H ARG 35 -3.845 -2.289 0.578 273 HA ARG 35 HA ARG 35 -4.246 -3.201 -2.199 274 HB2 ARG 35 1HB ARG 35 -5.367 -5.177 -1.392 275 HB3 ARG 35 2HB ARG 35 -3.796 -5.069 -0.621 276 HG2 ARG 35 1HG ARG 35 -5.082 -3.961 1.326 277 HG3 ARG 35 2HG ARG 35 -6.511 -4.661 0.563 278 HD2 ARG 35 1HD ARG 35 -5.426 -6.886 0.672 279 HD3 ARG 35 2HD ARG 35 -4.062 -6.157 1.500 280 HE ARG 35 HE ARG 35 -6.569 -5.659 2.810 281 HH11 ARG 35 1HH1 ARG 35 -3.925 -7.942 2.469 282 HH12 ARG 35 2HH1 ARG 35 -4.193 -8.666 4.019 283 HH21 ARG 35 1HH2 ARG 35 -6.909 -6.617 4.835 284 HH22 ARG 35 2HH2 ARG 35 -5.889 -7.925 5.355 285 H THR 36 H THR 36 -6.138 -2.738 -3.160 286 HA THR 36 HA THR 36 -7.807 -0.793 -1.825 287 HB THR 36 HB THR 36 -8.284 -1.881 -4.592 288 HG1 THR 36 HG1 THR 36 -6.148 -0.382 -3.657 289 HG21 THR 36 1HG2 THR 36 -9.995 -0.410 -3.649 290 HG22 THR 36 2HG2 THR 36 -9.152 0.386 -4.978 291 HG23 THR 36 3HG2 THR 36 -8.771 0.812 -3.310 292 H ILE 37 H ILE 37 -9.543 -1.281 -0.724 293 HA ILE 37 HA ILE 37 -10.510 -3.890 -0.470 294 HB ILE 37 HB ILE 37 -11.639 -1.239 0.382 295 HG12 ILE 37 1HG1 ILE 37 -9.449 -2.570 1.205 296 HG13 ILE 37 2HG1 ILE 37 -10.401 -1.536 2.265 297 HG21 ILE 37 1HG2 ILE 37 -12.626 -4.005 1.083 298 HG22 ILE 37 2HG2 ILE 37 -13.503 -2.785 0.161 299 HG23 ILE 37 3HG2 ILE 37 -13.140 -2.512 1.865 300 HD11 ILE 37 3HD1 ILE 37 -9.735 -3.807 3.132 301 HD12 ILE 37 1HD1 ILE 37 -10.881 -4.473 1.971 302 HD13 ILE 37 2HD1 ILE 37 -11.448 -3.400 3.251 303 H GLN 38 H GLN 38 -11.401 -4.932 -2.018 304 HA GLN 38 HA GLN 38 -13.493 -3.655 -3.649 305 HB2 GLN 38 1HB GLN 38 -13.011 -5.366 -5.349 306 HB3 GLN 38 2HB GLN 38 -11.576 -4.423 -4.974 307 HG2 GLN 38 1HG GLN 38 -10.759 -6.229 -3.547 308 HG3 GLN 38 2HG GLN 38 -12.199 -7.174 -3.918 309 HE21 GLN 38 1HE2 GLN 38 -12.210 -6.260 -6.715 310 HE22 GLN 38 2HE2 GLN 38 -10.948 -7.144 -7.497 311 HA PRO 39 HA PRO 39 -16.344 -6.434 -1.692 312 HB2 PRO 39 1HB PRO 39 -18.271 -6.579 -3.567 313 HB3 PRO 39 2HB PRO 39 -18.026 -5.133 -2.575 314 HG2 PRO 39 1HG PRO 39 -16.986 -5.739 -5.305 315 HG3 PRO 39 2HG PRO 39 -17.842 -4.280 -4.769 316 HD2 PRO 39 1HD PRO 39 -15.183 -4.305 -4.982 317 HD3 PRO 39 2HD PRO 39 -15.962 -3.498 -3.602 318 H SER 40 H SER 40 -15.840 -8.519 -1.467 319 HA SER 40 HA SER 40 -16.300 -10.502 -3.372 320 HB2 SER 40 1HB SER 40 -14.274 -9.305 -4.419 321 HB3 SER 40 2HB SER 40 -13.341 -9.961 -3.074 322 HG SER 40 HG SER 40 -14.497 -11.256 -5.257 323 H GLY 41 H GLY 41 -15.491 -12.618 -2.628 324 HA2 GLY 41 1HA GLY 41 -15.514 -12.711 0.266 325 HA3 GLY 41 2HA GLY 41 -15.589 -14.087 -0.823 326 H SER 42 H SER 42 -13.799 -12.840 1.519 327 HA SER 42 HA SER 42 -11.706 -13.238 2.295 328 HB2 SER 42 1HB SER 42 -11.414 -15.098 -0.080 329 HB3 SER 42 2HB SER 42 -10.456 -15.119 1.401 330 HG SER 42 HG SER 42 -12.964 -15.266 2.156 331 H ILE 43 H ILE 43 -9.388 -13.877 0.603 332 HA ILE 43 HA ILE 43 -7.770 -12.924 -0.657 333 HB ILE 43 HB ILE 43 -9.819 -10.869 -1.521 334 HG12 ILE 43 1HG1 ILE 43 -8.842 -13.366 -2.933 335 HG13 ILE 43 2HG1 ILE 43 -10.423 -13.175 -2.184 336 HG21 ILE 43 1HG2 ILE 43 -8.254 -10.397 -3.345 337 HG22 ILE 43 2HG2 ILE 43 -7.109 -11.552 -2.664 338 HG23 ILE 43 3HG2 ILE 43 -7.518 -10.087 -1.772 339 HD11 ILE 43 3HD1 ILE 43 -10.516 -12.909 -4.605 340 HD12 ILE 43 1HD1 ILE 43 -9.382 -11.563 -4.501 341 HD13 ILE 43 2HD1 ILE 43 -10.982 -11.427 -3.772 342 H ILE 44 H ILE 44 -9.612 -10.002 0.226 343 HA ILE 44 HA ILE 44 -7.152 -8.931 1.373 344 HB ILE 44 HB ILE 44 -8.308 -6.774 1.428 345 HG12 ILE 44 1HG1 ILE 44 -10.642 -8.297 0.255 346 HG13 ILE 44 2HG1 ILE 44 -10.588 -7.526 1.837 347 HG21 ILE 44 1HG2 ILE 44 -8.536 -6.432 -0.994 348 HG22 ILE 44 2HG2 ILE 44 -8.518 -8.185 -1.226 349 HG23 ILE 44 3HG2 ILE 44 -7.095 -7.367 -0.580 350 HD11 ILE 44 3HD1 ILE 44 -10.172 -5.353 0.587 351 HD12 ILE 44 1HD1 ILE 44 -11.789 -6.058 0.469 352 HD13 ILE 44 2HD1 ILE 44 -10.650 -6.239 -0.865 353 H ASP 45 H ASP 45 -8.867 -10.985 2.700 354 HA ASP 45 HA ASP 45 -9.488 -9.495 5.159 355 HB2 ASP 45 1HB ASP 45 -10.574 -12.101 4.096 356 HB3 ASP 45 2HB ASP 45 -10.777 -11.613 5.774 Start of MODEL 15 1 H PHE 1 1H PHE 1 9.168 -11.676 1.041 2 HA PHE 1 HA PHE 1 7.536 -14.111 1.371 3 HB2 PHE 1 1HB PHE 1 9.045 -12.475 3.420 4 HB3 PHE 1 2HB PHE 1 7.983 -13.828 3.783 5 HD1 PHE 1 HD2 PHE 1 8.607 -16.069 2.536 6 HD2 PHE 1 HD1 PHE 1 11.300 -12.857 3.272 7 HE1 PHE 1 HE2 PHE 1 10.507 -17.617 2.320 8 HE2 PHE 1 HE1 PHE 1 13.205 -14.398 3.056 9 HZ PHE 1 HZ PHE 1 12.810 -16.781 2.580 10 H PHE 2 H PHE 2 7.848 -11.013 3.088 11 HA PHE 2 HA PHE 2 5.123 -10.856 3.694 12 HB2 PHE 2 1HB PHE 2 7.104 -8.581 3.527 13 HB3 PHE 2 2HB PHE 2 5.566 -8.550 4.379 14 HD1 PHE 2 HD2 PHE 2 5.250 -10.278 6.261 15 HD2 PHE 2 HD1 PHE 2 9.034 -9.223 4.628 16 HE1 PHE 2 HE2 PHE 2 6.360 -11.137 8.280 17 HE2 PHE 2 HE1 PHE 2 10.150 -10.081 6.644 18 HZ PHE 2 HZ PHE 2 8.812 -11.039 8.475 19 H ASP 3 H ASP 3 6.986 -9.195 1.142 20 HA ASP 3 HA ASP 3 4.469 -8.258 0.046 21 HB2 ASP 3 1HB ASP 3 5.767 -6.934 -1.519 22 HB3 ASP 3 2HB ASP 3 6.268 -6.627 0.136 23 H GLU 4 H GLU 4 5.993 -11.075 -0.116 24 HA GLU 4 HA GLU 4 5.368 -11.642 -2.883 25 HB2 GLU 4 1HB GLU 4 7.036 -13.010 -1.623 26 HB3 GLU 4 2HB GLU 4 5.745 -13.568 -0.568 27 HG2 GLU 4 1HG GLU 4 6.257 -15.239 -2.234 28 HG3 GLU 4 2HG GLU 4 4.631 -14.605 -2.485 29 H LYS 5 H LYS 5 3.939 -12.004 0.308 30 HA LYS 5 HA LYS 5 1.390 -12.877 -0.443 31 HB2 LYS 5 1HB LYS 5 2.201 -12.750 1.889 32 HB3 LYS 5 2HB LYS 5 2.182 -10.999 1.789 33 HG2 LYS 5 1HG LYS 5 0.251 -11.771 2.996 34 HG3 LYS 5 2HG LYS 5 -0.255 -11.065 1.460 35 HD2 LYS 5 1HD LYS 5 -0.629 -13.206 0.502 36 HD3 LYS 5 2HD LYS 5 0.170 -14.019 1.850 37 HE2 LYS 5 1HE LYS 5 -2.276 -14.209 1.979 38 HE3 LYS 5 2HE LYS 5 -1.611 -13.325 3.352 39 HZ1 LYS 5 3HZ LYS 5 -2.245 -11.255 2.272 40 HZ2 LYS 5 1HZ LYS 5 -3.591 -12.254 2.492 41 HZ3 LYS 5 2HZ LYS 5 -2.888 -12.109 0.963 42 H CYS 6 H CYS 6 2.845 -9.654 -0.255 43 HA CYS 6 HA CYS 6 0.603 -8.139 -0.995 44 HB2 CYS 6 1HB CYS 6 2.754 -7.217 -0.105 45 HB3 CYS 6 2HB CYS 6 3.503 -7.578 -1.654 46 HG CYS 6 HG CYS 6 1.794 -5.807 -3.074 47 H ASN 7 H ASN 7 3.132 -9.660 -2.937 48 HA ASN 7 HA ASN 7 2.352 -8.831 -5.477 49 HB2 ASN 7 1HB ASN 7 4.468 -9.968 -5.041 50 HB3 ASN 7 2HB ASN 7 3.616 -11.440 -4.608 51 HD21 ASN 7 1HD2 ASN 7 4.621 -12.659 -6.155 52 HD22 ASN 7 2HD2 ASN 7 4.290 -12.481 -7.848 53 H LYS 8 H LYS 8 1.551 -11.860 -3.806 54 HA LYS 8 HA LYS 8 -0.208 -12.864 -5.740 55 HB2 LYS 8 1HB LYS 8 0.861 -14.010 -3.673 56 HB3 LYS 8 2HB LYS 8 -0.540 -13.407 -2.808 57 HG2 LYS 8 1HG LYS 8 -0.739 -15.138 -5.257 58 HG3 LYS 8 2HG LYS 8 -0.692 -15.778 -3.616 59 HD2 LYS 8 1HD LYS 8 -2.725 -14.598 -3.058 60 HD3 LYS 8 2HD LYS 8 -2.740 -13.815 -4.637 61 HE2 LYS 8 1HE LYS 8 -3.000 -16.000 -5.711 62 HE3 LYS 8 2HE LYS 8 -2.993 -16.777 -4.129 63 HZ1 LYS 8 3HZ LYS 8 -4.995 -14.785 -5.043 64 HZ2 LYS 8 1HZ LYS 8 -5.002 -15.599 -3.562 65 HZ3 LYS 8 2HZ LYS 8 -5.236 -16.457 -4.998 66 H LEU 9 H LEU 9 -0.858 -10.933 -2.829 67 HA LEU 9 HA LEU 9 -3.677 -10.908 -3.167 68 HB2 LEU 9 1HB LEU 9 -2.532 -10.709 -1.033 69 HB3 LEU 9 2HB LEU 9 -1.793 -9.213 -1.547 70 HG LEU 9 HG LEU 9 -3.971 -8.112 -1.532 71 HD11 LEU 9 1HD1 LEU 9 -5.381 -10.034 -2.095 72 HD12 LEU 9 2HD1 LEU 9 -5.922 -9.258 -0.606 73 HD13 LEU 9 3HD1 LEU 9 -5.009 -10.764 -0.533 74 HD21 LEU 9 3HD2 LEU 9 -2.533 -8.179 0.436 75 HD22 LEU 9 1HD2 LEU 9 -3.336 -9.649 0.971 76 HD23 LEU 9 2HD2 LEU 9 -4.238 -8.136 0.885 77 H LYS 10 H LYS 10 -1.226 -9.330 -4.786 78 HA LYS 10 HA LYS 10 -1.184 -7.782 -6.426 79 HB2 LYS 10 1HB LYS 10 -4.192 -7.874 -6.186 80 HB3 LYS 10 2HB LYS 10 -3.306 -7.055 -7.467 81 HG2 LYS 10 1HG LYS 10 -2.242 -9.301 -7.968 82 HG3 LYS 10 2HG LYS 10 -3.471 -9.999 -6.912 83 HD2 LYS 10 1HD LYS 10 -5.224 -9.063 -8.318 84 HD3 LYS 10 2HD LYS 10 -4.003 -8.312 -9.346 85 HE2 LYS 10 1HE LYS 10 -4.363 -11.276 -8.907 86 HE3 LYS 10 2HE LYS 10 -4.868 -10.380 -10.338 87 HZ1 LYS 10 3HZ LYS 10 -2.533 -9.803 -10.723 88 HZ2 LYS 10 1HZ LYS 10 -2.777 -11.476 -10.729 89 HZ3 LYS 10 2HZ LYS 10 -2.077 -10.734 -9.385 90 H GLY 11 H GLY 11 -0.910 -7.026 -3.723 91 HA2 GLY 11 1HA GLY 11 -2.203 -4.432 -3.468 92 HA3 GLY 11 2HA GLY 11 -1.076 -5.157 -2.328 93 H THR 12 H THR 12 -1.145 -2.458 -3.542 94 HA THR 12 HA THR 12 1.303 -2.501 -5.152 95 HB THR 12 HB THR 12 0.676 0.016 -5.381 96 HG1 THR 12 HG1 THR 12 -1.131 -0.548 -3.710 97 HG21 THR 12 1HG2 THR 12 -1.004 -2.136 -6.669 98 HG22 THR 12 2HG2 THR 12 0.604 -1.631 -7.193 99 HG23 THR 12 3HG2 THR 12 -0.752 -0.504 -7.291 100 H CYS 13 H CYS 13 3.187 -1.781 -4.391 101 HA CYS 13 HA CYS 13 3.314 -0.846 -1.651 102 HB2 CYS 13 1HB CYS 13 5.728 -0.900 -3.421 103 HB3 CYS 13 2HB CYS 13 5.573 -1.309 -1.719 104 HG CYS 13 HG CYS 13 5.817 -3.805 -2.243 105 H LYS 14 H LYS 14 2.798 1.187 -1.319 106 HA LYS 14 HA LYS 14 3.918 3.242 -3.090 107 HB2 LYS 14 1HB LYS 14 1.747 4.492 -2.845 108 HB3 LYS 14 2HB LYS 14 1.654 3.035 -3.825 109 HG2 LYS 14 1HG LYS 14 0.686 1.816 -1.968 110 HG3 LYS 14 2HG LYS 14 0.836 3.238 -0.935 111 HD2 LYS 14 1HD LYS 14 -1.437 3.031 -1.732 112 HD3 LYS 14 2HD LYS 14 -0.680 4.460 -2.434 113 HE2 LYS 14 1HE LYS 14 -0.306 3.273 -4.512 114 HE3 LYS 14 2HE LYS 14 -0.956 1.791 -3.812 115 HZ1 LYS 14 3HZ LYS 14 -2.460 4.309 -4.238 116 HZ2 LYS 14 1HZ LYS 14 -3.089 2.896 -3.546 117 HZ3 LYS 14 2HZ LYS 14 -2.600 2.909 -5.170 118 H ASN 15 H ASN 15 3.457 5.505 -1.947 119 HA ASN 15 HA ASN 15 4.806 5.297 0.566 120 HB2 ASN 15 1HB ASN 15 4.933 7.191 -1.223 121 HB3 ASN 15 2HB ASN 15 3.536 7.812 -0.369 122 HD21 ASN 15 1HD2 ASN 15 6.168 8.971 -0.607 123 HD22 ASN 15 2HD2 ASN 15 6.768 9.156 1.003 124 H ASN 16 H ASN 16 1.745 6.787 -0.371 125 HA ASN 16 HA ASN 16 0.675 6.133 2.296 126 HB2 ASN 16 1HB ASN 16 -0.843 8.131 1.956 127 HB3 ASN 16 2HB ASN 16 0.852 8.496 2.224 128 HD21 ASN 16 1HD2 ASN 16 -0.405 7.356 -0.869 129 HD22 ASN 16 2HD2 ASN 16 -0.152 8.847 -1.711 130 H CYS 17 H CYS 17 -1.585 5.615 2.415 131 HA CYS 17 HA CYS 17 -2.358 3.891 0.264 132 HB2 CYS 17 1HB CYS 17 -4.009 4.669 2.670 133 HB3 CYS 17 2HB CYS 17 -4.183 3.230 1.677 134 HG CYS 17 HG CYS 17 -1.495 2.378 2.465 135 H GLY 18 H GLY 18 -3.933 4.108 -1.218 136 HA2 GLY 18 1HA GLY 18 -4.994 6.804 -1.636 137 HA3 GLY 18 2HA GLY 18 -4.980 5.494 -2.807 138 H LYS 19 H LYS 19 -7.208 6.017 -3.228 139 HA LYS 19 HA LYS 19 -9.192 6.035 -1.249 140 HB2 LYS 19 1HB LYS 19 -10.769 6.154 -2.962 141 HB3 LYS 19 2HB LYS 19 -9.343 6.891 -3.660 142 HG2 LYS 19 1HG LYS 19 -10.343 4.098 -4.191 143 HG3 LYS 19 2HG LYS 19 -10.495 5.484 -5.267 144 HD2 LYS 19 1HD LYS 19 -7.960 5.585 -5.272 145 HD3 LYS 19 2HD LYS 19 -7.991 4.010 -4.468 146 HE2 LYS 19 1HE LYS 19 -9.220 4.650 -7.147 147 HE3 LYS 19 2HE LYS 19 -7.710 3.782 -6.887 148 HZ1 LYS 19 3HZ LYS 19 -8.983 2.084 -5.684 149 HZ2 LYS 19 1HZ LYS 19 -9.479 2.234 -7.292 150 HZ3 LYS 19 2HZ LYS 19 -10.415 2.896 -6.050 151 H ASN 20 H ASN 20 -10.227 4.526 -0.181 152 HA ASN 20 HA ASN 20 -10.783 2.499 0.676 153 HB2 ASN 20 1HB ASN 20 -10.993 1.896 -2.275 154 HB3 ASN 20 2HB ASN 20 -11.474 0.750 -1.029 155 HD21 ASN 20 1HD2 ASN 20 -13.081 1.993 -3.081 156 HD22 ASN 20 2HD2 ASN 20 -14.336 2.856 -2.263 157 H GLU 21 H GLU 21 -8.119 2.850 0.876 158 HA GLU 21 HA GLU 21 -7.119 0.154 0.277 159 HB2 GLU 21 1HB GLU 21 -5.718 2.794 -0.053 160 HB3 GLU 21 2HB GLU 21 -4.797 1.318 0.203 161 HG2 GLU 21 1HG GLU 21 -5.880 0.333 -1.772 162 HG3 GLU 21 2HG GLU 21 -6.741 1.846 -2.038 163 H GLU 22 H GLU 22 -5.544 -0.680 1.713 164 HA GLU 22 HA GLU 22 -5.335 0.662 4.322 165 HB2 GLU 22 1HB GLU 22 -5.888 -1.340 5.521 166 HB3 GLU 22 2HB GLU 22 -7.177 -1.058 4.362 167 HG2 GLU 22 1HG GLU 22 -6.269 -2.744 2.888 168 HG3 GLU 22 2HG GLU 22 -4.899 -2.983 3.969 169 H LEU 23 H LEU 23 -3.541 -0.259 5.646 170 HA LEU 23 HA LEU 23 -1.304 -0.978 3.964 171 HB2 LEU 23 1HB LEU 23 -1.560 0.373 6.370 172 HB3 LEU 23 2HB LEU 23 -0.825 -1.137 6.822 173 HG LEU 23 HG LEU 23 1.000 0.242 6.449 174 HD11 LEU 23 1HD1 LEU 23 1.121 -1.856 5.177 175 HD12 LEU 23 2HD1 LEU 23 2.107 -0.552 4.517 176 HD13 LEU 23 3HD1 LEU 23 0.575 -0.972 3.756 177 HD21 LEU 23 3HD2 LEU 23 -0.332 1.286 3.970 178 HD22 LEU 23 1HD2 LEU 23 1.160 1.871 4.703 179 HD23 LEU 23 2HD2 LEU 23 -0.375 2.081 5.542 180 H ILE 24 H ILE 24 -0.336 -2.917 3.867 181 HA ILE 24 HA ILE 24 -1.767 -5.142 5.175 182 HB ILE 24 HB ILE 24 -2.067 -6.302 3.207 183 HG12 ILE 24 1HG1 ILE 24 -0.148 -4.691 1.587 184 HG13 ILE 24 2HG1 ILE 24 0.510 -5.878 2.711 185 HG21 ILE 24 1HG2 ILE 24 -2.016 -3.422 2.334 186 HG22 ILE 24 2HG2 ILE 24 -3.379 -4.292 3.042 187 HG23 ILE 24 3HG2 ILE 24 -2.779 -4.739 1.445 188 HD11 ILE 24 3HD1 ILE 24 0.296 -6.865 0.562 189 HD12 ILE 24 1HD1 ILE 24 -1.401 -6.389 0.466 190 HD13 ILE 24 2HD1 ILE 24 -0.888 -7.586 1.655 191 H ALA 25 H ALA 25 1.242 -3.856 3.971 192 HA ALA 25 HA ALA 25 2.851 -5.595 5.547 193 HB1 ALA 25 3HB ALA 25 2.813 -6.104 2.566 194 HB2 ALA 25 1HB ALA 25 2.259 -7.216 3.818 195 HB3 ALA 25 2HB ALA 25 3.969 -6.794 3.708 196 H LEU 26 H LEU 26 5.229 -5.358 4.793 197 HA LEU 26 HA LEU 26 5.607 -2.548 4.016 198 HB2 LEU 26 1HB LEU 26 6.931 -4.203 6.133 199 HB3 LEU 26 2HB LEU 26 7.741 -2.798 5.461 200 HG LEU 26 HG LEU 26 6.750 -2.061 7.457 201 HD11 LEU 26 1HD1 LEU 26 4.783 -1.299 5.315 202 HD12 LEU 26 2HD1 LEU 26 6.393 -0.602 5.493 203 HD13 LEU 26 3HD1 LEU 26 5.192 -0.388 6.767 204 HD21 LEU 26 3HD2 LEU 26 4.201 -3.410 6.586 205 HD22 LEU 26 1HD2 LEU 26 4.391 -2.411 8.027 206 HD23 LEU 26 2HD2 LEU 26 5.275 -3.930 7.884 207 H CYS 27 H CYS 27 7.209 -2.033 2.638 208 HA CYS 27 HA CYS 27 8.791 -4.243 1.504 209 HB2 CYS 27 1HB CYS 27 7.465 -1.886 0.182 210 HB3 CYS 27 2HB CYS 27 8.799 -2.730 -0.589 211 HG CYS 27 HG CYS 27 5.869 -4.230 0.344 212 H GLN 28 H GLN 28 10.788 -3.351 0.327 213 HA GLN 28 HA GLN 28 12.295 -1.747 2.153 214 HB2 GLN 28 1HB GLN 28 13.041 -2.513 -0.670 215 HB3 GLN 28 2HB GLN 28 14.129 -1.983 0.600 216 HG2 GLN 28 1HG GLN 28 13.517 -4.015 1.893 217 HG3 GLN 28 2HG GLN 28 12.588 -4.562 0.498 218 HE21 GLN 28 1HE2 GLN 28 13.680 -5.185 -1.375 219 HE22 GLN 28 2HE2 GLN 28 15.369 -5.554 -1.372 220 H LYS 29 H LYS 29 13.613 0.148 1.157 221 HA LYS 29 HA LYS 29 13.630 2.298 0.387 222 HB2 LYS 29 1HB LYS 29 11.346 1.458 -1.389 223 HB3 LYS 29 2HB LYS 29 12.346 2.886 -1.591 224 HG2 LYS 29 1HG LYS 29 14.251 1.531 -2.137 225 HG3 LYS 29 2HG LYS 29 13.356 0.057 -1.764 226 HD2 LYS 29 1HD LYS 29 12.720 2.011 -3.979 227 HD3 LYS 29 2HD LYS 29 13.478 0.432 -4.179 228 HE2 LYS 29 1HE LYS 29 10.692 0.950 -3.127 229 HE3 LYS 29 2HE LYS 29 11.101 0.343 -4.731 230 HZ1 LYS 29 3HZ LYS 29 11.601 -1.038 -2.150 231 HZ2 LYS 29 1HZ LYS 29 12.096 -1.612 -3.662 232 HZ3 LYS 29 2HZ LYS 29 10.452 -1.462 -3.310 233 H SER 30 H SER 30 11.665 1.113 2.377 234 HA SER 30 HA SER 30 10.023 1.673 3.779 235 HB2 SER 30 1HB SER 30 9.723 4.052 4.364 236 HB3 SER 30 2HB SER 30 11.416 3.576 4.324 237 HG SER 30 HG SER 30 10.862 4.435 1.917 238 H LEU 31 H LEU 31 9.260 1.044 1.052 239 HA LEU 31 HA LEU 31 6.867 2.579 0.606 240 HB2 LEU 31 1HB LEU 31 8.129 0.180 -0.669 241 HB3 LEU 31 2HB LEU 31 6.450 0.545 -0.988 242 HG LEU 31 HG LEU 31 8.172 1.384 -2.650 243 HD11 LEU 31 1HD1 LEU 31 6.960 3.465 -3.037 244 HD12 LEU 31 2HD1 LEU 31 6.281 3.374 -1.410 245 HD13 LEU 31 3HD1 LEU 31 5.858 2.155 -2.616 246 HD21 LEU 31 3HD2 LEU 31 9.738 2.262 -0.931 247 HD22 LEU 31 1HD2 LEU 31 8.579 3.549 -0.617 248 HD23 LEU 31 2HD2 LEU 31 9.331 3.408 -2.207 249 H LYS 32 H LYS 32 4.807 2.023 1.072 250 HA LYS 32 HA LYS 32 4.423 -0.181 2.980 251 HB2 LYS 32 1HB LYS 32 3.073 2.447 2.499 252 HB3 LYS 32 2HB LYS 32 2.136 1.140 3.194 253 HG2 LYS 32 1HG LYS 32 3.054 2.695 4.869 254 HG3 LYS 32 2HG LYS 32 3.592 1.032 5.109 255 HD2 LYS 32 1HD LYS 32 5.756 1.539 4.243 256 HD3 LYS 32 2HD LYS 32 5.217 3.100 3.624 257 HE2 LYS 32 1HE LYS 32 6.505 3.482 5.608 258 HE3 LYS 32 2HE LYS 32 4.818 3.824 5.970 259 HZ1 LYS 32 3HZ LYS 32 6.333 1.388 6.720 260 HZ2 LYS 32 1HZ LYS 32 4.670 1.585 6.963 261 HZ3 LYS 32 2HZ LYS 32 5.766 2.591 7.760 262 H CYS 33 H CYS 33 3.280 -1.947 2.341 263 HA CYS 33 HA CYS 33 2.195 -2.060 -0.306 264 HB2 CYS 33 1HB CYS 33 2.088 -4.011 1.996 265 HB3 CYS 33 2HB CYS 33 1.487 -4.347 0.381 266 HG CYS 33 HG CYS 33 3.771 -4.785 -0.799 267 H CYS 34 H CYS 34 0.366 -1.016 -0.732 268 HA CYS 34 HA CYS 34 -1.815 -1.167 1.239 269 HB2 CYS 34 1HB CYS 34 -1.433 0.872 -0.963 270 HB3 CYS 34 2HB CYS 34 -2.667 0.900 0.293 271 HG CYS 34 HG CYS 34 0.696 1.216 0.867 272 H ARG 35 H ARG 35 -3.547 -2.319 0.687 273 HA ARG 35 HA ARG 35 -3.804 -3.153 -2.117 274 HB2 ARG 35 1HB ARG 35 -5.066 -5.046 -1.358 275 HB3 ARG 35 2HB ARG 35 -3.620 -4.940 -0.371 276 HG2 ARG 35 1HG ARG 35 -5.087 -3.714 1.328 277 HG3 ARG 35 2HG ARG 35 -6.452 -4.307 0.380 278 HD2 ARG 35 1HD ARG 35 -5.412 -6.627 0.665 279 HD3 ARG 35 2HD ARG 35 -4.385 -5.892 1.879 280 HE ARG 35 HE ARG 35 -6.725 -5.156 2.819 281 HH11 ARG 35 1HH1 ARG 35 -5.860 -8.283 1.467 282 HH12 ARG 35 2HH1 ARG 35 -6.962 -9.156 2.478 283 HH21 ARG 35 1HH2 ARG 35 -8.125 -6.299 4.154 284 HH22 ARG 35 2HH2 ARG 35 -8.241 -8.032 4.026 285 H THR 36 H THR 36 -5.572 -2.682 -3.291 286 HA THR 36 HA THR 36 -7.361 -0.668 -2.227 287 HB THR 36 HB THR 36 -7.546 -1.825 -4.995 288 HG1 THR 36 HG1 THR 36 -5.650 0.094 -4.027 289 HG21 THR 36 1HG2 THR 36 -8.310 0.397 -5.572 290 HG22 THR 36 2HG2 THR 36 -7.946 0.988 -3.951 291 HG23 THR 36 3HG2 THR 36 -9.242 -0.187 -4.194 292 H ILE 37 H ILE 37 -9.198 -1.142 -1.316 293 HA ILE 37 HA ILE 37 -10.155 -3.799 -1.130 294 HB ILE 37 HB ILE 37 -11.451 -1.212 -0.290 295 HG12 ILE 37 1HG1 ILE 37 -9.290 -1.359 0.722 296 HG13 ILE 37 2HG1 ILE 37 -10.465 -1.811 1.942 297 HG21 ILE 37 1HG2 ILE 37 -11.964 -4.041 0.575 298 HG22 ILE 37 2HG2 ILE 37 -13.059 -3.002 -0.333 299 HG23 ILE 37 3HG2 ILE 37 -12.653 -2.612 1.339 300 HD11 ILE 37 3HD1 ILE 37 -8.697 -3.662 0.374 301 HD12 ILE 37 1HD1 ILE 37 -9.956 -4.187 1.490 302 HD13 ILE 37 2HD1 ILE 37 -8.578 -3.268 2.088 303 H GLN 38 H GLN 38 -11.542 -4.851 -2.339 304 HA GLN 38 HA GLN 38 -12.923 -3.491 -4.503 305 HB2 GLN 38 1HB GLN 38 -13.439 -5.791 -5.278 306 HB3 GLN 38 2HB GLN 38 -11.716 -5.511 -5.073 307 HG2 GLN 38 1HG GLN 38 -11.708 -6.723 -3.001 308 HG3 GLN 38 2HG GLN 38 -13.463 -6.886 -3.045 309 HE21 GLN 38 1HE2 GLN 38 -14.396 -8.344 -4.461 310 HE22 GLN 38 2HE2 GLN 38 -13.485 -9.594 -5.232 311 HA PRO 39 HA PRO 39 -16.883 -3.601 -2.458 312 HB2 PRO 39 1HB PRO 39 -18.156 -3.850 -5.079 313 HB3 PRO 39 2HB PRO 39 -18.205 -2.503 -3.940 314 HG2 PRO 39 1HG PRO 39 -16.881 -2.364 -6.291 315 HG3 PRO 39 2HG PRO 39 -16.341 -1.502 -4.838 316 HD2 PRO 39 1HD PRO 39 -15.318 -4.060 -6.016 317 HD3 PRO 39 2HD PRO 39 -14.418 -2.700 -5.311 318 H SER 40 H SER 40 -17.839 -5.271 -1.527 319 HA SER 40 HA SER 40 -18.984 -7.443 -2.971 320 HB2 SER 40 1HB SER 40 -16.566 -8.118 -2.923 321 HB3 SER 40 2HB SER 40 -16.634 -8.085 -1.164 322 HG SER 40 HG SER 40 -17.123 -10.128 -2.615 323 H GLY 41 H GLY 41 -19.331 -9.260 -0.890 324 HA2 GLY 41 1HA GLY 41 -21.143 -7.914 0.836 325 HA3 GLY 41 2HA GLY 41 -20.563 -9.563 1.044 326 H SER 42 H SER 42 -20.699 -6.672 2.518 327 HA SER 42 HA SER 42 -19.348 -5.315 3.742 328 HB2 SER 42 1HB SER 42 -18.170 -6.757 5.592 329 HB3 SER 42 2HB SER 42 -19.907 -6.488 5.557 330 HG SER 42 HG SER 42 -18.689 -8.725 4.320 331 H ILE 43 H ILE 43 -18.028 -4.698 2.159 332 HA ILE 43 HA ILE 43 -16.140 -4.554 0.852 333 HB ILE 43 HB ILE 43 -14.118 -4.114 2.504 334 HG12 ILE 43 1HG1 ILE 43 -16.516 -3.673 4.289 335 HG13 ILE 43 2HG1 ILE 43 -15.436 -5.051 4.466 336 HG21 ILE 43 1HG2 ILE 43 -15.174 -2.467 1.080 337 HG22 ILE 43 2HG2 ILE 43 -14.935 -1.804 2.696 338 HG23 ILE 43 3HG2 ILE 43 -16.537 -2.344 2.193 339 HD11 ILE 43 3HD1 ILE 43 -13.580 -3.520 4.909 340 HD12 ILE 43 1HD1 ILE 43 -14.905 -3.282 6.048 341 HD13 ILE 43 2HD1 ILE 43 -14.670 -2.147 4.719 342 H ILE 44 H ILE 44 -14.138 -6.008 3.343 343 HA ILE 44 HA ILE 44 -13.651 -8.266 1.545 344 HB ILE 44 HB ILE 44 -11.266 -8.147 1.958 345 HG12 ILE 44 1HG1 ILE 44 -11.361 -6.917 4.132 346 HG13 ILE 44 2HG1 ILE 44 -10.146 -6.321 3.015 347 HG21 ILE 44 1HG2 ILE 44 -12.561 -5.783 0.687 348 HG22 ILE 44 2HG2 ILE 44 -11.901 -7.229 -0.075 349 HG23 ILE 44 3HG2 ILE 44 -10.818 -6.031 0.632 350 HD11 ILE 44 3HD1 ILE 44 -11.610 -4.437 2.450 351 HD12 ILE 44 1HD1 ILE 44 -11.246 -4.506 4.173 352 HD13 ILE 44 2HD1 ILE 44 -12.811 -5.050 3.584 353 H ASP 45 H ASP 45 -15.040 -7.838 4.224 354 HA ASP 45 HA ASP 45 -13.796 -10.166 5.462 355 HB2 ASP 45 1HB ASP 45 -13.941 -9.188 7.725 356 HB3 ASP 45 2HB ASP 45 -12.814 -8.320 6.697 Start of MODEL 16 1 H PHE 1 1H PHE 1 10.224 -9.177 -2.627 2 HA PHE 1 HA PHE 1 10.638 -11.278 -1.535 3 HB2 PHE 1 1HB PHE 1 11.327 -9.572 0.869 4 HB3 PHE 1 2HB PHE 1 11.237 -11.328 0.837 5 HD1 PHE 1 HD2 PHE 1 13.190 -8.395 -0.142 6 HD2 PHE 1 HD1 PHE 1 12.991 -12.646 -0.175 7 HE1 PHE 1 HE2 PHE 1 15.572 -8.499 -0.748 8 HE2 PHE 1 HE1 PHE 1 15.374 -12.757 -0.777 9 HZ PHE 1 HZ PHE 1 16.667 -10.680 -1.065 10 H PHE 2 H PHE 2 9.584 -9.067 1.016 11 HA PHE 2 HA PHE 2 7.112 -10.384 1.328 12 HB2 PHE 2 1HB PHE 2 7.989 -7.655 2.278 13 HB3 PHE 2 2HB PHE 2 6.520 -8.467 2.800 14 HD1 PHE 2 HD1 PHE 2 10.165 -8.400 3.036 15 HD2 PHE 2 HD2 PHE 2 6.607 -10.359 4.300 16 HE1 PHE 2 HE1 PHE 2 11.423 -9.515 4.830 17 HE2 PHE 2 HE2 PHE 2 7.859 -11.478 6.100 18 HZ PHE 2 HZ PHE 2 10.270 -11.056 6.366 19 H ASP 3 H ASP 3 8.150 -7.839 -0.764 20 HA ASP 3 HA ASP 3 5.422 -7.139 -1.418 21 HB2 ASP 3 1HB ASP 3 6.417 -5.554 -3.030 22 HB3 ASP 3 2HB ASP 3 6.910 -5.284 -1.368 23 H GLU 4 H GLU 4 7.487 -9.544 -2.297 24 HA GLU 4 HA GLU 4 6.359 -9.935 -4.929 25 HB2 GLU 4 1HB GLU 4 7.717 -11.912 -3.073 26 HB3 GLU 4 2HB GLU 4 7.275 -12.233 -4.743 27 HG2 GLU 4 1HG GLU 4 9.308 -10.247 -3.761 28 HG3 GLU 4 2HG GLU 4 9.621 -11.758 -4.613 29 H LYS 5 H LYS 5 5.824 -10.889 -1.616 30 HA LYS 5 HA LYS 5 3.412 -12.316 -1.988 31 HB2 LYS 5 1HB LYS 5 4.801 -12.241 0.105 32 HB3 LYS 5 2HB LYS 5 4.213 -10.612 0.376 33 HG2 LYS 5 1HG LYS 5 2.997 -12.168 1.748 34 HG3 LYS 5 2HG LYS 5 1.921 -11.483 0.530 35 HD2 LYS 5 1HD LYS 5 1.809 -13.463 -0.670 36 HD3 LYS 5 2HD LYS 5 3.324 -14.071 0.000 37 HE2 LYS 5 1HE LYS 5 1.402 -15.282 0.902 38 HE3 LYS 5 2HE LYS 5 2.255 -14.400 2.162 39 HZ1 LYS 5 3HZ LYS 5 -0.279 -13.591 0.850 40 HZ2 LYS 5 1HZ LYS 5 0.563 -12.647 1.973 41 HZ3 LYS 5 2HZ LYS 5 -0.093 -14.130 2.439 42 H CYS 6 H CYS 6 4.197 -8.886 -1.730 43 HA CYS 6 HA CYS 6 1.648 -7.790 -1.531 44 HB2 CYS 6 1HB CYS 6 3.578 -6.367 -1.335 45 HB3 CYS 6 2HB CYS 6 4.140 -6.797 -2.941 46 HG CYS 6 HG CYS 6 1.774 -5.535 -4.110 47 H ASN 7 H ASN 7 3.477 -8.740 -4.413 48 HA ASN 7 HA ASN 7 1.597 -8.044 -6.365 49 HB2 ASN 7 1HB ASN 7 3.971 -8.773 -6.761 50 HB3 ASN 7 2HB ASN 7 3.465 -10.420 -6.442 51 HD21 ASN 7 1HD2 ASN 7 2.276 -11.522 -7.957 52 HD22 ASN 7 2HD2 ASN 7 2.039 -10.943 -9.568 53 H LYS 8 H LYS 8 2.021 -10.957 -4.467 54 HA LYS 8 HA LYS 8 0.088 -12.572 -5.685 55 HB2 LYS 8 1HB LYS 8 1.893 -13.181 -3.949 56 HB3 LYS 8 2HB LYS 8 0.714 -12.684 -2.744 57 HG2 LYS 8 1HG LYS 8 0.532 -15.026 -2.943 58 HG3 LYS 8 2HG LYS 8 -0.873 -14.345 -3.766 59 HD2 LYS 8 1HD LYS 8 0.241 -14.628 -5.919 60 HD3 LYS 8 2HD LYS 8 1.667 -15.273 -5.108 61 HE2 LYS 8 1HE LYS 8 0.380 -17.098 -5.986 62 HE3 LYS 8 2HE LYS 8 0.270 -17.119 -4.228 63 HZ1 LYS 8 3HZ LYS 8 -1.871 -17.509 -5.318 64 HZ2 LYS 8 1HZ LYS 8 -1.788 -15.984 -6.041 65 HZ3 LYS 8 2HZ LYS 8 -1.900 -16.119 -4.359 66 H LEU 9 H LEU 9 -0.217 -10.191 -3.082 67 HA LEU 9 HA LEU 9 -3.031 -10.804 -2.712 68 HB2 LEU 9 1HB LEU 9 -1.128 -8.894 -1.406 69 HB3 LEU 9 2HB LEU 9 -2.853 -8.700 -1.188 70 HG LEU 9 HG LEU 9 -1.976 -9.874 0.701 71 HD11 LEU 9 1HD1 LEU 9 -3.285 -11.904 0.667 72 HD12 LEU 9 2HD1 LEU 9 -3.376 -11.848 -1.091 73 HD13 LEU 9 3HD1 LEU 9 -4.165 -10.600 -0.127 74 HD21 LEU 9 3HD2 LEU 9 -0.883 -11.925 -1.211 75 HD22 LEU 9 1HD2 LEU 9 -0.763 -11.946 0.548 76 HD23 LEU 9 2HD2 LEU 9 0.075 -10.698 -0.378 77 H LYS 10 H LYS 10 -1.301 -9.019 -4.881 78 HA LYS 10 HA LYS 10 -1.855 -7.526 -6.495 79 HB2 LYS 10 1HB LYS 10 -4.669 -7.874 -5.455 80 HB3 LYS 10 2HB LYS 10 -4.244 -6.954 -6.890 81 HG2 LYS 10 1HG LYS 10 -3.188 -9.113 -7.748 82 HG3 LYS 10 2HG LYS 10 -4.069 -9.912 -6.443 83 HD2 LYS 10 1HD LYS 10 -5.294 -8.195 -8.595 84 HD3 LYS 10 2HD LYS 10 -5.312 -9.958 -8.566 85 HE2 LYS 10 1HE LYS 10 -6.544 -8.171 -6.469 86 HE3 LYS 10 2HE LYS 10 -7.428 -8.962 -7.773 87 HZ1 LYS 10 3HZ LYS 10 -7.546 -10.168 -5.658 88 HZ2 LYS 10 1HZ LYS 10 -5.870 -10.386 -5.687 89 HZ3 LYS 10 2HZ LYS 10 -6.836 -11.093 -6.882 90 H GLY 11 H GLY 11 -1.055 -6.776 -3.823 91 HA2 GLY 11 1HA GLY 11 -2.430 -4.248 -3.348 92 HA3 GLY 11 2HA GLY 11 -1.144 -4.937 -2.363 93 H THR 12 H THR 12 -0.930 -2.328 -2.901 94 HA THR 12 HA THR 12 1.261 -2.278 -4.857 95 HB THR 12 HB THR 12 0.464 0.238 -5.083 96 HG1 THR 12 HG1 THR 12 -2.000 -1.137 -4.671 97 HG21 THR 12 1HG2 THR 12 -0.811 -0.414 -7.092 98 HG22 THR 12 2HG2 THR 12 -0.817 -2.083 -6.525 99 HG23 THR 12 3HG2 THR 12 0.705 -1.303 -6.946 100 H CYS 13 H CYS 13 3.115 -1.482 -4.096 101 HA CYS 13 HA CYS 13 3.175 -0.354 -1.429 102 HB2 CYS 13 1HB CYS 13 5.732 -0.215 -2.129 103 HB3 CYS 13 2HB CYS 13 5.006 -1.723 -1.602 104 HG CYS 13 HG CYS 13 6.379 -0.929 -4.509 105 H LYS 14 H LYS 14 2.391 1.684 -1.453 106 HA LYS 14 HA LYS 14 4.042 3.588 -2.965 107 HB2 LYS 14 1HB LYS 14 1.670 4.912 -2.174 108 HB3 LYS 14 2HB LYS 14 2.238 4.595 -3.798 109 HG2 LYS 14 1HG LYS 14 1.054 2.401 -3.707 110 HG3 LYS 14 2HG LYS 14 0.396 2.887 -2.139 111 HD2 LYS 14 1HD LYS 14 -0.265 5.059 -3.506 112 HD3 LYS 14 2HD LYS 14 -0.201 3.933 -4.860 113 HE2 LYS 14 1HE LYS 14 -1.804 3.457 -2.360 114 HE3 LYS 14 2HE LYS 14 -2.457 4.223 -3.805 115 HZ1 LYS 14 3HZ LYS 14 -2.987 1.876 -3.729 116 HZ2 LYS 14 1HZ LYS 14 -1.344 1.474 -3.657 117 HZ3 LYS 14 2HZ LYS 14 -1.970 2.207 -5.043 118 H ASN 15 H ASN 15 3.903 5.830 -1.843 119 HA ASN 15 HA ASN 15 4.781 5.493 0.864 120 HB2 ASN 15 1HB ASN 15 5.203 7.373 -1.089 121 HB3 ASN 15 2HB ASN 15 4.122 8.198 0.018 122 HD21 ASN 15 1HD2 ASN 15 7.244 6.732 -0.343 123 HD22 ASN 15 2HD2 ASN 15 7.935 7.376 1.105 124 H ASN 16 H ASN 16 1.946 6.566 -0.807 125 HA ASN 16 HA ASN 16 0.522 6.846 1.767 126 HB2 ASN 16 1HB ASN 16 -0.977 8.439 0.654 127 HB3 ASN 16 2HB ASN 16 0.693 8.986 0.560 128 HD21 ASN 16 1HD2 ASN 16 1.789 8.832 -1.426 129 HD22 ASN 16 2HD2 ASN 16 0.921 8.743 -2.921 130 H CYS 17 H CYS 17 -1.547 5.946 1.924 131 HA CYS 17 HA CYS 17 -2.076 3.752 0.108 132 HB2 CYS 17 1HB CYS 17 -3.774 4.663 2.437 133 HB3 CYS 17 2HB CYS 17 -3.767 3.082 1.670 134 HG CYS 17 HG CYS 17 -1.362 2.258 2.659 135 H GLY 18 H GLY 18 -3.847 3.568 -1.242 136 HA2 GLY 18 1HA GLY 18 -4.928 6.143 -2.105 137 HA3 GLY 18 2HA GLY 18 -4.998 4.629 -2.993 138 H LYS 19 H LYS 19 -7.206 5.165 -3.396 139 HA LYS 19 HA LYS 19 -9.145 5.617 -1.447 140 HB2 LYS 19 1HB LYS 19 -10.765 5.281 -3.132 141 HB3 LYS 19 2HB LYS 19 -9.361 5.924 -3.964 142 HG2 LYS 19 1HG LYS 19 -10.092 3.000 -3.865 143 HG3 LYS 19 2HG LYS 19 -10.515 4.095 -5.178 144 HD2 LYS 19 1HD LYS 19 -7.661 3.757 -4.328 145 HD3 LYS 19 2HD LYS 19 -8.420 2.593 -5.411 146 HE2 LYS 19 1HE LYS 19 -8.352 5.561 -5.923 147 HE3 LYS 19 2HE LYS 19 -7.151 4.432 -6.549 148 HZ1 LYS 19 3HZ LYS 19 -8.854 4.866 -8.184 149 HZ2 LYS 19 1HZ LYS 19 -10.065 4.368 -7.116 150 HZ3 LYS 19 2HZ LYS 19 -8.934 3.251 -7.692 151 H ASN 20 H ASN 20 -10.017 4.387 0.050 152 HA ASN 20 HA ASN 20 -10.783 2.606 1.233 153 HB2 ASN 20 1HB ASN 20 -11.008 1.383 -1.522 154 HB3 ASN 20 2HB ASN 20 -11.707 0.692 -0.064 155 HD21 ASN 20 1HD2 ASN 20 -13.016 1.568 -2.484 156 HD22 ASN 20 2HD2 ASN 20 -14.157 2.777 -2.011 157 H GLU 21 H GLU 21 -7.890 2.815 0.716 158 HA GLU 21 HA GLU 21 -7.119 -0.004 0.583 159 HB2 GLU 21 1HB GLU 21 -5.615 2.562 0.174 160 HB3 GLU 21 2HB GLU 21 -4.765 1.049 0.446 161 HG2 GLU 21 1HG GLU 21 -5.945 0.082 -1.496 162 HG3 GLU 21 2HG GLU 21 -6.691 1.652 -1.787 163 H GLU 22 H GLU 22 -6.147 -1.066 2.161 164 HA GLU 22 HA GLU 22 -5.628 0.374 4.683 165 HB2 GLU 22 1HB GLU 22 -6.108 -1.649 5.885 166 HB3 GLU 22 2HB GLU 22 -7.430 -1.387 4.758 167 HG2 GLU 22 1HG GLU 22 -6.567 -3.061 3.271 168 HG3 GLU 22 2HG GLU 22 -5.119 -3.246 4.259 169 H LEU 23 H LEU 23 -3.840 -0.620 5.992 170 HA LEU 23 HA LEU 23 -1.549 -1.047 4.268 171 HB2 LEU 23 1HB LEU 23 -1.886 0.279 6.633 172 HB3 LEU 23 2HB LEU 23 -1.188 -1.232 7.180 173 HG LEU 23 HG LEU 23 0.804 -0.881 5.897 174 HD11 LEU 23 1HD1 LEU 23 0.165 -0.052 3.858 175 HD12 LEU 23 2HD1 LEU 23 0.901 1.367 4.610 176 HD13 LEU 23 3HD1 LEU 23 -0.851 1.206 4.566 177 HD21 LEU 23 3HD2 LEU 23 -0.054 1.690 7.218 178 HD22 LEU 23 1HD2 LEU 23 1.602 1.259 6.793 179 HD23 LEU 23 2HD2 LEU 23 0.729 0.317 8.004 180 H ILE 24 H ILE 24 -0.880 -3.006 3.705 181 HA ILE 24 HA ILE 24 -1.972 -5.269 5.224 182 HB ILE 24 HB ILE 24 -2.386 -6.373 3.266 183 HG12 ILE 24 1HG1 ILE 24 -0.728 -5.132 1.282 184 HG13 ILE 24 2HG1 ILE 24 0.276 -5.604 2.649 185 HG21 ILE 24 1HG2 ILE 24 -3.042 -4.805 1.488 186 HG22 ILE 24 2HG2 ILE 24 -2.176 -3.520 2.327 187 HG23 ILE 24 3HG2 ILE 24 -3.576 -4.281 3.083 188 HD11 ILE 24 3HD1 ILE 24 -1.597 -7.409 1.143 189 HD12 ILE 24 1HD1 ILE 24 -0.553 -7.878 2.483 190 HD13 ILE 24 2HD1 ILE 24 0.156 -7.350 0.956 191 H ALA 25 H ALA 25 0.955 -3.797 4.051 192 HA ALA 25 HA ALA 25 2.609 -5.508 5.618 193 HB1 ALA 25 3HB ALA 25 2.748 -5.918 2.631 194 HB2 ALA 25 1HB ALA 25 2.131 -7.084 3.801 195 HB3 ALA 25 2HB ALA 25 3.833 -6.621 3.829 196 H LEU 26 H LEU 26 4.910 -5.100 5.235 197 HA LEU 26 HA LEU 26 5.361 -2.354 4.303 198 HB2 LEU 26 1HB LEU 26 6.642 -4.048 6.417 199 HB3 LEU 26 2HB LEU 26 7.524 -2.702 5.718 200 HG LEU 26 HG LEU 26 6.560 -1.988 7.788 201 HD11 LEU 26 1HD1 LEU 26 6.549 -0.364 5.959 202 HD12 LEU 26 2HD1 LEU 26 5.220 -0.102 7.087 203 HD13 LEU 26 3HD1 LEU 26 4.914 -0.868 5.529 204 HD21 LEU 26 3HD2 LEU 26 3.920 -2.950 6.700 205 HD22 LEU 26 1HD2 LEU 26 4.125 -2.012 8.179 206 HD23 LEU 26 2HD2 LEU 26 4.816 -3.629 8.059 207 H CYS 27 H CYS 27 6.562 -2.084 2.543 208 HA CYS 27 HA CYS 27 7.866 -4.446 1.397 209 HB2 CYS 27 1HB CYS 27 7.078 -1.825 0.110 210 HB3 CYS 27 2HB CYS 27 7.783 -3.199 -0.731 211 HG CYS 27 HG CYS 27 5.402 -3.868 -1.480 212 H GLN 28 H GLN 28 9.786 -3.606 -0.172 213 HA GLN 28 HA GLN 28 11.829 -2.777 1.609 214 HB2 GLN 28 1HB GLN 28 11.908 -2.959 -1.395 215 HB3 GLN 28 2HB GLN 28 13.303 -2.805 -0.348 216 HG2 GLN 28 1HG GLN 28 12.915 -4.954 0.613 217 HG3 GLN 28 2HG GLN 28 11.373 -5.103 -0.225 218 HE21 GLN 28 1HE2 GLN 28 11.336 -5.647 -2.377 219 HE22 GLN 28 2HE2 GLN 28 12.734 -6.217 -3.226 220 H LYS 29 H LYS 29 13.369 -0.982 0.917 221 HA LYS 29 HA LYS 29 13.753 1.255 1.029 222 HB2 LYS 29 1HB LYS 29 11.433 1.435 -0.883 223 HB3 LYS 29 2HB LYS 29 12.579 2.718 -0.555 224 HG2 LYS 29 1HG LYS 29 13.544 1.943 -2.440 225 HG3 LYS 29 2HG LYS 29 14.272 0.792 -1.328 226 HD2 LYS 29 1HD LYS 29 13.390 -0.356 -3.282 227 HD3 LYS 29 2HD LYS 29 12.498 -0.821 -1.831 228 HE2 LYS 29 1HE LYS 29 10.720 0.732 -2.414 229 HE3 LYS 29 2HE LYS 29 11.611 1.246 -3.841 230 HZ1 LYS 29 3HZ LYS 29 9.890 -0.355 -4.385 231 HZ2 LYS 29 1HZ LYS 29 10.582 -1.494 -3.345 232 HZ3 LYS 29 2HZ LYS 29 11.418 -0.990 -4.724 233 H SER 30 H SER 30 11.512 -0.118 2.601 234 HA SER 30 HA SER 30 10.158 0.370 4.342 235 HB2 SER 30 1HB SER 30 11.915 2.092 4.867 236 HB3 SER 30 2HB SER 30 10.946 3.269 3.985 237 HG SER 30 HG SER 30 9.253 2.893 5.467 238 H LEU 31 H LEU 31 9.255 0.435 1.539 239 HA LEU 31 HA LEU 31 7.168 2.369 1.356 240 HB2 LEU 31 1HB LEU 31 8.014 -0.042 -0.167 241 HB3 LEU 31 2HB LEU 31 6.381 0.542 -0.394 242 HG LEU 31 HG LEU 31 8.250 1.325 -1.998 243 HD11 LEU 31 1HD1 LEU 31 6.371 3.298 -0.703 244 HD12 LEU 31 2HD1 LEU 31 5.961 2.170 -1.999 245 HD13 LEU 31 3HD1 LEU 31 7.116 3.473 -2.293 246 HD21 LEU 31 3HD2 LEU 31 8.654 3.343 0.193 247 HD22 LEU 31 1HD2 LEU 31 9.467 3.275 -1.369 248 HD23 LEU 31 2HD2 LEU 31 9.779 2.033 -0.155 249 H LYS 32 H LYS 32 4.885 1.846 1.241 250 HA LYS 32 HA LYS 32 4.155 -0.218 3.206 251 HB2 LYS 32 1HB LYS 32 3.218 2.552 2.719 252 HB3 LYS 32 2HB LYS 32 2.001 1.379 3.194 253 HG2 LYS 32 1HG LYS 32 3.084 0.927 5.242 254 HG3 LYS 32 2HG LYS 32 4.543 1.795 4.742 255 HD2 LYS 32 1HD LYS 32 1.837 3.073 5.141 256 HD3 LYS 32 2HD LYS 32 3.119 3.054 6.350 257 HE2 LYS 32 1HE LYS 32 4.583 4.268 4.801 258 HE3 LYS 32 2HE LYS 32 3.287 4.300 3.607 259 HZ1 LYS 32 3HZ LYS 32 3.228 5.578 6.283 260 HZ2 LYS 32 1HZ LYS 32 1.943 5.568 5.184 261 HZ3 LYS 32 2HZ LYS 32 3.378 6.370 4.800 262 H CYS 33 H CYS 33 3.082 -1.908 2.450 263 HA CYS 33 HA CYS 33 2.009 -1.867 -0.232 264 HB2 CYS 33 1HB CYS 33 3.199 -3.859 0.668 265 HB3 CYS 33 2HB CYS 33 1.902 -4.063 1.845 266 HG CYS 33 HG CYS 33 1.639 -4.383 -1.549 267 H CYS 34 H CYS 34 0.070 -1.126 -0.645 268 HA CYS 34 HA CYS 34 -1.996 -1.340 1.442 269 HB2 CYS 34 1HB CYS 34 -1.891 0.740 -0.740 270 HB3 CYS 34 2HB CYS 34 -2.874 0.750 0.719 271 HG CYS 34 HG CYS 34 0.540 1.029 0.729 272 H ARG 35 H ARG 35 -3.980 -2.156 0.858 273 HA ARG 35 HA ARG 35 -4.215 -3.051 -1.940 274 HB2 ARG 35 1HB ARG 35 -5.379 -5.026 -1.208 275 HB3 ARG 35 2HB ARG 35 -3.866 -4.911 -0.327 276 HG2 ARG 35 1HG ARG 35 -5.205 -3.880 1.560 277 HG3 ARG 35 2HG ARG 35 -6.647 -4.381 0.678 278 HD2 ARG 35 1HD ARG 35 -5.565 -6.720 0.665 279 HD3 ARG 35 2HD ARG 35 -4.502 -6.084 1.907 280 HE ARG 35 HE ARG 35 -6.611 -5.563 3.170 281 HH11 ARG 35 1HH1 ARG 35 -6.465 -8.189 0.847 282 HH12 ARG 35 2HH1 ARG 35 -7.736 -9.095 1.620 283 HH21 ARG 35 1HH2 ARG 35 -8.250 -6.749 4.172 284 HH22 ARG 35 2HH2 ARG 35 -8.763 -8.271 3.500 285 H THR 36 H THR 36 -6.022 -2.605 -3.031 286 HA THR 36 HA THR 36 -7.771 -0.597 -1.921 287 HB THR 36 HB THR 36 -7.940 -1.860 -4.658 288 HG1 THR 36 HG1 THR 36 -6.237 0.185 -3.656 289 HG21 THR 36 1HG2 THR 36 -9.864 -0.502 -3.988 290 HG22 THR 36 2HG2 THR 36 -8.954 0.277 -5.281 291 HG23 THR 36 3HG2 THR 36 -8.787 0.846 -3.620 292 H ILE 37 H ILE 37 -9.134 -1.515 -0.465 293 HA ILE 37 HA ILE 37 -10.443 -3.999 -0.860 294 HB ILE 37 HB ILE 37 -10.917 -1.751 1.075 295 HG12 ILE 37 1HG1 ILE 37 -8.728 -3.165 0.896 296 HG13 ILE 37 2HG1 ILE 37 -9.440 -2.853 2.468 297 HG21 ILE 37 1HG2 ILE 37 -12.184 -3.381 2.407 298 HG22 ILE 37 2HG2 ILE 37 -12.035 -4.556 1.103 299 HG23 ILE 37 3HG2 ILE 37 -12.956 -3.075 0.851 300 HD11 ILE 37 3HD1 ILE 37 -10.469 -5.082 2.416 301 HD12 ILE 37 1HD1 ILE 37 -8.713 -5.161 2.268 302 HD13 ILE 37 2HD1 ILE 37 -9.731 -5.367 0.841 303 H GLN 38 H GLN 38 -12.153 -4.416 -2.051 304 HA GLN 38 HA GLN 38 -13.890 -2.245 -2.942 305 HB2 GLN 38 1HB GLN 38 -13.759 -5.145 -3.801 306 HB3 GLN 38 2HB GLN 38 -14.814 -3.928 -4.505 307 HG2 GLN 38 1HG GLN 38 -12.781 -2.649 -5.164 308 HG3 GLN 38 2HG GLN 38 -11.810 -4.012 -4.607 309 HE21 GLN 38 1HE2 GLN 38 -10.977 -4.415 -6.654 310 HE22 GLN 38 2HE2 GLN 38 -11.934 -5.099 -7.921 311 HA PRO 39 HA PRO 39 -17.118 -3.232 -0.070 312 HB2 PRO 39 1HB PRO 39 -19.022 -2.736 -2.277 313 HB3 PRO 39 2HB PRO 39 -18.881 -1.932 -0.709 314 HG2 PRO 39 1HG PRO 39 -18.127 -0.713 -2.965 315 HG3 PRO 39 2HG PRO 39 -17.238 -0.486 -1.449 316 HD2 PRO 39 1HD PRO 39 -16.553 -2.181 -3.815 317 HD3 PRO 39 2HD PRO 39 -15.494 -1.190 -2.790 318 H SER 40 H SER 40 -18.306 -4.979 0.506 319 HA SER 40 HA SER 40 -19.240 -7.046 0.470 320 HB2 SER 40 1HB SER 40 -20.617 -6.188 -1.426 321 HB3 SER 40 2HB SER 40 -19.370 -6.741 -2.541 322 HG SER 40 HG SER 40 -21.254 -8.194 -1.102 323 H GLY 41 H GLY 41 -18.775 -9.323 -0.314 324 HA2 GLY 41 1HA GLY 41 -15.871 -9.547 -0.398 325 HA3 GLY 41 2HA GLY 41 -17.003 -10.838 -0.027 326 H SER 42 H SER 42 -14.874 -9.710 -2.224 327 HA SER 42 HA SER 42 -14.998 -11.731 -4.031 328 HB2 SER 42 1HB SER 42 -17.242 -10.943 -4.705 329 HB3 SER 42 2HB SER 42 -16.571 -9.364 -5.098 330 HG SER 42 HG SER 42 -16.438 -10.302 -7.005 331 H ILE 43 H ILE 43 -13.379 -11.550 -5.523 332 HA ILE 43 HA ILE 43 -11.492 -10.786 -6.539 333 HB ILE 43 HB ILE 43 -12.456 -8.004 -5.851 334 HG12 ILE 43 1HG1 ILE 43 -12.799 -9.600 -8.402 335 HG13 ILE 43 2HG1 ILE 43 -14.072 -9.284 -7.227 336 HG21 ILE 43 1HG2 ILE 43 -10.084 -8.060 -6.365 337 HG22 ILE 43 2HG2 ILE 43 -10.974 -7.298 -7.683 338 HG23 ILE 43 3HG2 ILE 43 -10.405 -8.960 -7.847 339 HD11 ILE 43 3HD1 ILE 43 -14.284 -7.794 -9.106 340 HD12 ILE 43 1HD1 ILE 43 -12.624 -7.241 -8.894 341 HD13 ILE 43 2HD1 ILE 43 -13.838 -6.876 -7.670 342 H ILE 44 H ILE 44 -12.127 -8.708 -3.726 343 HA ILE 44 HA ILE 44 -9.609 -9.595 -2.529 344 HB ILE 44 HB ILE 44 -8.946 -7.541 -3.566 345 HG12 ILE 44 1HG1 ILE 44 -9.554 -7.052 -0.640 346 HG13 ILE 44 2HG1 ILE 44 -8.132 -7.867 -1.280 347 HG21 ILE 44 1HG2 ILE 44 -11.142 -6.607 -4.020 348 HG22 ILE 44 2HG2 ILE 44 -10.123 -5.418 -3.207 349 HG23 ILE 44 3HG2 ILE 44 -11.373 -6.272 -2.304 350 HD11 ILE 44 3HD1 ILE 44 -8.845 -4.993 -1.801 351 HD12 ILE 44 1HD1 ILE 44 -7.370 -5.823 -2.296 352 HD13 ILE 44 2HD1 ILE 44 -7.700 -5.549 -0.584 353 H ASP 45 H ASP 45 -9.747 -9.879 -0.366 354 HA ASP 45 HA ASP 45 -11.760 -8.511 1.191 355 HB2 ASP 45 1HB ASP 45 -12.810 -10.462 2.101 356 HB3 ASP 45 2HB ASP 45 -12.876 -10.621 0.351 Start of MODEL 17 1 H PHE 1 1H PHE 1 11.001 -9.997 -0.887 2 HA PHE 1 HA PHE 1 9.326 -12.424 -0.754 3 HB2 PHE 1 1HB PHE 1 11.219 -12.469 0.830 4 HB3 PHE 1 2HB PHE 1 10.732 -10.896 1.452 5 HD1 PHE 1 HD1 PHE 1 9.783 -14.448 1.216 6 HD2 PHE 1 HD2 PHE 1 8.989 -10.690 3.050 7 HE1 PHE 1 HE1 PHE 1 8.328 -15.558 2.858 8 HE2 PHE 1 HE2 PHE 1 7.531 -11.797 4.694 9 HZ PHE 1 HZ PHE 1 7.200 -14.233 4.598 10 H PHE 2 H PHE 2 9.685 -9.104 0.533 11 HA PHE 2 HA PHE 2 7.163 -8.842 1.603 12 HB2 PHE 2 1HB PHE 2 8.932 -6.733 0.370 13 HB3 PHE 2 2HB PHE 2 7.462 -6.364 1.261 14 HD1 PHE 2 HD1 PHE 2 7.451 -7.918 3.586 15 HD2 PHE 2 HD2 PHE 2 10.814 -6.266 1.571 16 HE1 PHE 2 HE1 PHE 2 8.715 -7.928 5.695 17 HE2 PHE 2 HE2 PHE 2 12.086 -6.280 3.676 18 HZ PHE 2 HZ PHE 2 11.037 -7.112 5.740 19 H ASP 3 H ASP 3 8.124 -7.619 -1.639 20 HA ASP 3 HA ASP 3 5.307 -7.273 -2.178 21 HB2 ASP 3 1HB ASP 3 5.892 -6.058 -4.140 22 HB3 ASP 3 2HB ASP 3 6.835 -5.458 -2.785 23 H GLU 4 H GLU 4 7.359 -9.780 -2.480 24 HA GLU 4 HA GLU 4 6.338 -10.905 -4.902 25 HB2 GLU 4 1HB GLU 4 8.359 -11.827 -3.847 26 HB3 GLU 4 2HB GLU 4 7.441 -12.242 -2.407 27 HG2 GLU 4 1HG GLU 4 7.847 -14.211 -3.742 28 HG3 GLU 4 2HG GLU 4 6.124 -13.841 -3.715 29 H LYS 5 H LYS 5 5.517 -11.101 -1.474 30 HA LYS 5 HA LYS 5 3.087 -12.494 -1.822 31 HB2 LYS 5 1HB LYS 5 4.199 -12.406 0.345 32 HB3 LYS 5 2HB LYS 5 4.003 -10.662 0.397 33 HG2 LYS 5 1HG LYS 5 2.383 -11.805 1.823 34 HG3 LYS 5 2HG LYS 5 1.595 -10.903 0.528 35 HD2 LYS 5 1HD LYS 5 0.491 -13.011 0.697 36 HD3 LYS 5 2HD LYS 5 1.474 -13.046 -0.767 37 HE2 LYS 5 1HE LYS 5 1.718 -15.142 0.376 38 HE3 LYS 5 2HE LYS 5 3.232 -14.248 0.501 39 HZ1 LYS 5 3HZ LYS 5 2.601 -15.274 2.602 40 HZ2 LYS 5 1HZ LYS 5 1.155 -14.399 2.615 41 HZ3 LYS 5 2HZ LYS 5 2.633 -13.589 2.735 42 H CYS 6 H CYS 6 3.976 -9.077 -1.883 43 HA CYS 6 HA CYS 6 1.433 -7.928 -1.752 44 HB2 CYS 6 1HB CYS 6 3.634 -6.700 -1.693 45 HB3 CYS 6 2HB CYS 6 3.780 -6.967 -3.422 46 HG CYS 6 HG CYS 6 1.563 -5.413 -4.089 47 H ASN 7 H ASN 7 3.313 -9.004 -4.564 48 HA ASN 7 HA ASN 7 1.493 -8.300 -6.570 49 HB2 ASN 7 1HB ASN 7 3.924 -9.060 -6.826 50 HB3 ASN 7 2HB ASN 7 3.315 -10.703 -6.677 51 HD21 ASN 7 1HD2 ASN 7 2.007 -11.558 -8.317 52 HD22 ASN 7 2HD2 ASN 7 1.948 -10.853 -9.893 53 H LYS 8 H LYS 8 1.962 -11.406 -4.902 54 HA LYS 8 HA LYS 8 -0.029 -12.846 -6.236 55 HB2 LYS 8 1HB LYS 8 0.988 -13.218 -3.416 56 HB3 LYS 8 2HB LYS 8 0.187 -14.419 -4.400 57 HG2 LYS 8 1HG LYS 8 2.844 -13.188 -5.051 58 HG3 LYS 8 2HG LYS 8 2.621 -14.741 -4.245 59 HD2 LYS 8 1HD LYS 8 1.430 -15.589 -6.201 60 HD3 LYS 8 2HD LYS 8 1.634 -14.031 -7.002 61 HE2 LYS 8 1HE LYS 8 3.287 -15.660 -7.774 62 HE3 LYS 8 2HE LYS 8 4.048 -14.297 -6.958 63 HZ1 LYS 8 3HZ LYS 8 3.515 -16.944 -5.730 64 HZ2 LYS 8 1HZ LYS 8 4.291 -15.640 -4.981 65 HZ3 LYS 8 2HZ LYS 8 5.016 -16.412 -6.298 66 H LEU 9 H LEU 9 -0.068 -10.967 -3.254 67 HA LEU 9 HA LEU 9 -2.732 -11.731 -2.538 68 HB2 LEU 9 1HB LEU 9 -0.836 -11.322 -0.998 69 HB3 LEU 9 2HB LEU 9 -0.892 -9.629 -1.433 70 HG LEU 9 HG LEU 9 -3.191 -9.526 -0.484 71 HD11 LEU 9 1HD1 LEU 9 -3.864 -11.335 1.038 72 HD12 LEU 9 2HD1 LEU 9 -2.490 -12.296 0.493 73 HD13 LEU 9 3HD1 LEU 9 -3.783 -11.887 -0.634 74 HD21 LEU 9 3HD2 LEU 9 -2.373 -9.306 1.721 75 HD22 LEU 9 1HD2 LEU 9 -1.032 -8.928 0.632 76 HD23 LEU 9 2HD2 LEU 9 -1.104 -10.501 1.434 77 H LYS 10 H LYS 10 -1.565 -9.580 -4.764 78 HA LYS 10 HA LYS 10 -2.715 -8.215 -6.182 79 HB2 LYS 10 1HB LYS 10 -5.092 -8.749 -4.389 80 HB3 LYS 10 2HB LYS 10 -5.154 -7.955 -5.954 81 HG2 LYS 10 1HG LYS 10 -4.179 -10.773 -5.552 82 HG3 LYS 10 2HG LYS 10 -5.847 -10.356 -5.946 83 HD2 LYS 10 1HD LYS 10 -3.457 -9.588 -7.614 84 HD3 LYS 10 2HD LYS 10 -4.474 -10.998 -7.919 85 HE2 LYS 10 1HE LYS 10 -5.352 -8.112 -7.929 86 HE3 LYS 10 2HE LYS 10 -5.151 -9.150 -9.339 87 HZ1 LYS 10 3HZ LYS 10 -6.902 -10.594 -8.431 88 HZ2 LYS 10 1HZ LYS 10 -7.459 -9.029 -8.744 89 HZ3 LYS 10 2HZ LYS 10 -7.135 -9.509 -7.157 90 H GLY 11 H GLY 11 -1.158 -7.142 -4.178 91 HA2 GLY 11 1HA GLY 11 -2.626 -4.627 -3.654 92 HA3 GLY 11 2HA GLY 11 -1.466 -5.292 -2.510 93 H THR 12 H THR 12 -1.080 -2.740 -3.371 94 HA THR 12 HA THR 12 1.307 -3.071 -5.052 95 HB THR 12 HB THR 12 0.767 -0.591 -5.705 96 HG1 THR 12 HG1 THR 12 -1.885 -1.226 -5.792 97 HG21 THR 12 1HG2 THR 12 0.911 -2.434 -7.296 98 HG22 THR 12 2HG2 THR 12 -0.449 -1.381 -7.687 99 HG23 THR 12 3HG2 THR 12 -0.733 -2.928 -6.889 100 H CYS 13 H CYS 13 3.144 -2.107 -4.304 101 HA CYS 13 HA CYS 13 3.042 -1.069 -1.607 102 HB2 CYS 13 1HB CYS 13 5.540 -1.147 -3.291 103 HB3 CYS 13 2HB CYS 13 5.376 -1.263 -1.547 104 HG CYS 13 HG CYS 13 3.751 -3.780 -2.840 105 H LYS 14 H LYS 14 2.521 0.952 -1.284 106 HA LYS 14 HA LYS 14 3.824 3.003 -2.912 107 HB2 LYS 14 1HB LYS 14 1.749 4.360 -2.865 108 HB3 LYS 14 2HB LYS 14 1.583 2.879 -3.796 109 HG2 LYS 14 1HG LYS 14 0.417 1.830 -1.927 110 HG3 LYS 14 2HG LYS 14 0.589 3.313 -0.987 111 HD2 LYS 14 1HD LYS 14 -1.612 3.289 -1.912 112 HD3 LYS 14 2HD LYS 14 -0.675 4.505 -2.780 113 HE2 LYS 14 1HE LYS 14 -1.956 3.274 -4.381 114 HE3 LYS 14 2HE LYS 14 -0.266 2.811 -4.565 115 HZ1 LYS 14 3HZ LYS 14 -1.611 0.857 -4.644 116 HZ2 LYS 14 1HZ LYS 14 -2.404 1.261 -3.199 117 HZ3 LYS 14 2HZ LYS 14 -0.762 0.837 -3.184 118 H ASN 15 H ASN 15 3.387 5.241 -1.706 119 HA ASN 15 HA ASN 15 4.493 4.786 0.911 120 HB2 ASN 15 1HB ASN 15 4.075 7.189 -0.816 121 HB3 ASN 15 2HB ASN 15 4.459 7.390 0.886 122 HD21 ASN 15 1HD2 ASN 15 5.997 8.143 -1.444 123 HD22 ASN 15 2HD2 ASN 15 7.514 7.324 -1.311 124 H ASN 16 H ASN 16 1.683 6.580 -0.368 125 HA ASN 16 HA ASN 16 0.442 6.312 2.295 126 HB2 ASN 16 1HB ASN 16 -0.747 8.360 1.914 127 HB3 ASN 16 2HB ASN 16 0.944 8.668 1.537 128 HD21 ASN 16 1HD2 ASN 16 1.561 8.913 -0.640 129 HD22 ASN 16 2HD2 ASN 16 0.400 9.300 -1.862 130 H CYS 17 H CYS 17 -1.673 5.591 2.411 131 HA CYS 17 HA CYS 17 -2.473 3.893 0.248 132 HB2 CYS 17 1HB CYS 17 -3.949 4.541 2.805 133 HB3 CYS 17 2HB CYS 17 -4.267 3.190 1.735 134 HG CYS 17 HG CYS 17 -1.296 2.575 2.284 135 H GLY 18 H GLY 18 -3.981 4.203 -1.251 136 HA2 GLY 18 1HA GLY 18 -5.173 6.853 -1.462 137 HA3 GLY 18 2HA GLY 18 -5.113 5.627 -2.720 138 H LYS 19 H LYS 19 -7.309 6.038 -3.140 139 HA LYS 19 HA LYS 19 -9.486 6.126 -1.550 140 HB2 LYS 19 1HB LYS 19 -10.756 5.053 -3.414 141 HB3 LYS 19 2HB LYS 19 -9.695 6.353 -3.935 142 HG2 LYS 19 1HG LYS 19 -8.184 4.893 -4.932 143 HG3 LYS 19 2HG LYS 19 -8.773 3.506 -4.022 144 HD2 LYS 19 1HD LYS 19 -10.287 4.949 -6.198 145 HD3 LYS 19 2HD LYS 19 -9.435 3.412 -6.380 146 HE2 LYS 19 1HE LYS 19 -10.910 2.423 -4.669 147 HE3 LYS 19 2HE LYS 19 -11.788 3.947 -4.567 148 HZ1 LYS 19 3HZ LYS 19 -12.438 3.709 -6.862 149 HZ2 LYS 19 1HZ LYS 19 -12.900 2.337 -5.990 150 HZ3 LYS 19 2HZ LYS 19 -11.552 2.276 -7.007 151 H ASN 20 H ASN 20 -9.945 4.952 0.160 152 HA ASN 20 HA ASN 20 -10.233 3.185 1.573 153 HB2 ASN 20 1HB ASN 20 -12.225 3.162 0.033 154 HB3 ASN 20 2HB ASN 20 -11.417 1.908 -0.897 155 HD21 ASN 20 1HD2 ASN 20 -11.233 2.121 2.597 156 HD22 ASN 20 2HD2 ASN 20 -12.165 0.703 2.914 157 H GLU 21 H GLU 21 -7.694 3.093 1.055 158 HA GLU 21 HA GLU 21 -7.121 0.299 0.337 159 HB2 GLU 21 1HB GLU 21 -5.415 2.778 0.311 160 HB3 GLU 21 2HB GLU 21 -4.685 1.181 0.312 161 HG2 GLU 21 1HG GLU 21 -6.155 0.729 -1.725 162 HG3 GLU 21 2HG GLU 21 -6.402 2.468 -1.780 163 H GLU 22 H GLU 22 -6.028 -1.033 1.720 164 HA GLU 22 HA GLU 22 -5.752 -0.047 4.479 165 HB2 GLU 22 1HB GLU 22 -6.039 -2.353 5.208 166 HB3 GLU 22 2HB GLU 22 -7.386 -1.874 4.190 167 HG2 GLU 22 1HG GLU 22 -6.469 -3.112 2.331 168 HG3 GLU 22 2HG GLU 22 -5.026 -3.492 3.260 169 H LEU 23 H LEU 23 -3.876 -0.529 5.656 170 HA LEU 23 HA LEU 23 -1.552 -1.102 3.989 171 HB2 LEU 23 1HB LEU 23 -1.877 0.804 5.843 172 HB3 LEU 23 2HB LEU 23 -1.267 -0.477 6.872 173 HG LEU 23 HG LEU 23 0.807 -0.583 5.639 174 HD11 LEU 23 1HD1 LEU 23 -0.027 -0.285 3.403 175 HD12 LEU 23 2HD1 LEU 23 1.214 0.912 3.735 176 HD13 LEU 23 3HD1 LEU 23 -0.484 1.380 3.760 177 HD21 LEU 23 3HD2 LEU 23 1.694 1.614 6.057 178 HD22 LEU 23 1HD2 LEU 23 0.567 1.189 7.342 179 HD23 LEU 23 2HD2 LEU 23 0.073 2.306 6.071 180 H ILE 24 H ILE 24 -0.734 -3.060 3.919 181 HA ILE 24 HA ILE 24 -1.718 -4.980 5.929 182 HB ILE 24 HB ILE 24 -2.086 -6.576 4.240 183 HG12 ILE 24 1HG1 ILE 24 -1.327 -5.633 1.788 184 HG13 ILE 24 2HG1 ILE 24 -0.008 -5.075 2.807 185 HG21 ILE 24 1HG2 ILE 24 -3.678 -4.710 4.218 186 HG22 ILE 24 2HG2 ILE 24 -3.485 -5.439 2.628 187 HG23 ILE 24 3HG2 ILE 24 -2.695 -3.909 2.991 188 HD11 ILE 24 3HD1 ILE 24 -0.958 -7.910 2.538 189 HD12 ILE 24 1HD1 ILE 24 0.352 -7.362 3.583 190 HD13 ILE 24 2HD1 ILE 24 0.505 -7.224 1.831 191 H ALA 25 H ALA 25 1.064 -3.760 4.309 192 HA ALA 25 HA ALA 25 2.801 -5.315 5.988 193 HB1 ALA 25 3HB ALA 25 2.403 -6.920 4.171 194 HB2 ALA 25 1HB ALA 25 4.078 -6.369 4.201 195 HB3 ALA 25 2HB ALA 25 2.959 -5.723 3.001 196 H LEU 26 H LEU 26 5.034 -4.699 5.724 197 HA LEU 26 HA LEU 26 5.268 -1.958 4.694 198 HB2 LEU 26 1HB LEU 26 6.492 -3.274 7.108 199 HB3 LEU 26 2HB LEU 26 7.003 -1.706 6.513 200 HG LEU 26 HG LEU 26 4.208 -2.356 7.464 201 HD11 LEU 26 1HD1 LEU 26 4.770 -1.055 9.446 202 HD12 LEU 26 2HD1 LEU 26 6.422 -0.864 8.862 203 HD13 LEU 26 3HD1 LEU 26 5.819 -2.464 9.294 204 HD21 LEU 26 3HD2 LEU 26 5.526 0.240 6.675 205 HD22 LEU 26 1HD2 LEU 26 3.974 0.124 7.502 206 HD23 LEU 26 2HD2 LEU 26 4.159 -0.543 5.882 207 H CYS 27 H CYS 27 6.694 -1.694 3.123 208 HA CYS 27 HA CYS 27 8.357 -3.993 2.388 209 HB2 CYS 27 1HB CYS 27 7.227 -1.698 0.781 210 HB3 CYS 27 2HB CYS 27 8.307 -2.908 0.108 211 HG CYS 27 HG CYS 27 5.931 -3.765 -0.811 212 H GLN 28 H GLN 28 10.284 -3.179 0.901 213 HA GLN 28 HA GLN 28 11.906 -1.485 2.590 214 HB2 GLN 28 1HB GLN 28 12.607 -2.815 -0.021 215 HB3 GLN 28 2HB GLN 28 13.735 -2.049 1.080 216 HG2 GLN 28 1HG GLN 28 12.093 -4.505 1.647 217 HG3 GLN 28 2HG GLN 28 13.822 -4.456 1.302 218 HE21 GLN 28 1HE2 GLN 28 15.226 -3.623 2.856 219 HE22 GLN 28 2HE2 GLN 28 14.762 -3.463 4.514 220 H LYS 29 H LYS 29 13.377 0.114 1.368 221 HA LYS 29 HA LYS 29 13.598 2.109 0.291 222 HB2 LYS 29 1HB LYS 29 11.395 1.056 -1.475 223 HB3 LYS 29 2HB LYS 29 12.376 2.470 -1.820 224 HG2 LYS 29 1HG LYS 29 14.348 1.106 -2.032 225 HG3 LYS 29 2HG LYS 29 13.450 -0.328 -1.527 226 HD2 LYS 29 1HD LYS 29 12.953 1.292 -4.027 227 HD3 LYS 29 2HD LYS 29 13.745 -0.282 -3.954 228 HE2 LYS 29 1HE LYS 29 10.876 0.340 -3.240 229 HE3 LYS 29 2HE LYS 29 11.444 -0.559 -4.645 230 HZ1 LYS 29 3HZ LYS 29 12.335 -2.243 -3.129 231 HZ2 LYS 29 1HZ LYS 29 10.663 -2.060 -2.953 232 HZ3 LYS 29 2HZ LYS 29 11.709 -1.392 -1.810 233 H SER 30 H SER 30 11.419 1.403 2.305 234 HA SER 30 HA SER 30 10.091 2.623 3.676 235 HB2 SER 30 1HB SER 30 10.407 4.889 1.700 236 HB3 SER 30 2HB SER 30 9.703 5.009 3.312 237 HG SER 30 HG SER 30 12.168 3.846 3.354 238 H LEU 31 H LEU 31 9.346 1.676 0.572 239 HA LEU 31 HA LEU 31 6.642 2.541 0.445 240 HB2 LEU 31 1HB LEU 31 8.149 0.273 -0.862 241 HB3 LEU 31 2HB LEU 31 6.435 0.498 -1.095 242 HG LEU 31 HG LEU 31 7.755 1.406 -2.937 243 HD11 LEU 31 1HD1 LEU 31 6.325 3.519 -1.336 244 HD12 LEU 31 2HD1 LEU 31 5.574 2.345 -2.418 245 HD13 LEU 31 3HD1 LEU 31 6.658 3.574 -3.069 246 HD21 LEU 31 3HD2 LEU 31 9.755 2.088 -1.766 247 HD22 LEU 31 1HD2 LEU 31 8.848 3.335 -0.912 248 HD23 LEU 31 2HD2 LEU 31 9.067 3.443 -2.659 249 H LYS 32 H LYS 32 4.749 1.291 0.906 250 HA LYS 32 HA LYS 32 5.143 -1.247 2.237 251 HB2 LYS 32 1HB LYS 32 3.550 -0.626 4.014 252 HB3 LYS 32 2HB LYS 32 5.025 0.313 4.020 253 HG2 LYS 32 1HG LYS 32 2.621 1.407 2.686 254 HG3 LYS 32 2HG LYS 32 2.765 1.446 4.454 255 HD2 LYS 32 1HD LYS 32 4.865 2.531 2.570 256 HD3 LYS 32 2HD LYS 32 3.567 3.516 3.242 257 HE2 LYS 32 1HE LYS 32 4.355 3.001 5.504 258 HE3 LYS 32 2HE LYS 32 5.652 2.017 4.829 259 HZ1 LYS 32 3HZ LYS 32 6.587 3.962 3.796 260 HZ2 LYS 32 1HZ LYS 32 6.388 4.253 5.452 261 HZ3 LYS 32 2HZ LYS 32 5.305 4.926 4.340 262 H CYS 33 H CYS 33 3.095 -2.493 2.415 263 HA CYS 33 HA CYS 33 2.014 -2.429 -0.262 264 HB2 CYS 33 1HB CYS 33 2.822 -4.531 0.840 265 HB3 CYS 33 2HB CYS 33 1.452 -4.413 1.940 266 HG CYS 33 HG CYS 33 1.241 -4.831 -1.447 267 H CYS 34 H CYS 34 0.346 -1.191 -0.673 268 HA CYS 34 HA CYS 34 -1.869 -1.098 1.254 269 HB2 CYS 34 1HB CYS 34 -1.353 0.698 -1.130 270 HB3 CYS 34 2HB CYS 34 -2.623 0.897 0.072 271 HG CYS 34 HG CYS 34 0.478 0.829 1.344 272 H ARG 35 H ARG 35 -3.684 -2.155 0.763 273 HA ARG 35 HA ARG 35 -3.964 -3.198 -1.975 274 HB2 ARG 35 1HB ARG 35 -5.265 -4.203 0.562 275 HB3 ARG 35 2HB ARG 35 -5.383 -4.945 -1.025 276 HG2 ARG 35 1HG ARG 35 -3.025 -5.469 -0.998 277 HG3 ARG 35 2HG ARG 35 -2.834 -4.639 0.548 278 HD2 ARG 35 1HD ARG 35 -2.988 -6.900 1.135 279 HD3 ARG 35 2HD ARG 35 -4.600 -6.253 1.423 280 HE ARG 35 HE ARG 35 -4.050 -7.601 -1.117 281 HH11 ARG 35 1HH1 ARG 35 -5.741 -7.437 1.940 282 HH12 ARG 35 2HH1 ARG 35 -6.798 -8.761 1.576 283 HH21 ARG 35 1HH2 ARG 35 -5.440 -9.340 -1.615 284 HH22 ARG 35 2HH2 ARG 35 -6.630 -9.845 -0.455 285 H THR 36 H THR 36 -5.506 -2.360 -3.190 286 HA THR 36 HA THR 36 -7.352 -0.452 -2.090 287 HB THR 36 HB THR 36 -7.399 -1.481 -4.918 288 HG1 THR 36 HG1 THR 36 -5.408 -0.083 -3.603 289 HG21 THR 36 1HG2 THR 36 -9.216 0.017 -4.253 290 HG22 THR 36 2HG2 THR 36 -8.142 0.824 -5.397 291 HG23 THR 36 3HG2 THR 36 -8.043 1.201 -3.678 292 H ILE 37 H ILE 37 -9.105 -1.014 -1.118 293 HA ILE 37 HA ILE 37 -10.174 -3.628 -1.145 294 HB ILE 37 HB ILE 37 -11.557 -1.104 -0.239 295 HG12 ILE 37 1HG1 ILE 37 -9.323 -1.214 0.747 296 HG13 ILE 37 2HG1 ILE 37 -10.543 -1.534 1.968 297 HG21 ILE 37 1HG2 ILE 37 -11.849 -3.972 0.634 298 HG22 ILE 37 2HG2 ILE 37 -12.980 -3.076 -0.377 299 HG23 ILE 37 3HG2 ILE 37 -12.723 -2.593 1.299 300 HD11 ILE 37 3HD1 ILE 37 -10.028 -3.822 2.017 301 HD12 ILE 37 1HD1 ILE 37 -8.488 -2.974 2.028 302 HD13 ILE 37 2HD1 ILE 37 -9.074 -3.720 0.538 303 H GLN 38 H GLN 38 -11.686 -4.532 -2.370 304 HA GLN 38 HA GLN 38 -12.704 -3.136 -4.662 305 HB2 GLN 38 1HB GLN 38 -13.657 -5.231 -5.326 306 HB3 GLN 38 2HB GLN 38 -12.065 -5.566 -4.670 307 HG2 GLN 38 1HG GLN 38 -14.641 -5.905 -3.152 308 HG3 GLN 38 2HG GLN 38 -13.806 -7.197 -4.010 309 HE21 GLN 38 1HE2 GLN 38 -14.465 -6.901 -1.179 310 HE22 GLN 38 2HE2 GLN 38 -12.960 -7.062 -0.336 311 HA PRO 39 HA PRO 39 -16.572 -1.524 -3.224 312 HB2 PRO 39 1HB PRO 39 -17.740 -3.043 -5.514 313 HB3 PRO 39 2HB PRO 39 -17.971 -1.354 -5.054 314 HG2 PRO 39 1HG PRO 39 -16.385 -1.996 -7.088 315 HG3 PRO 39 2HG PRO 39 -15.950 -0.688 -5.974 316 HD2 PRO 39 1HD PRO 39 -14.840 -3.442 -6.188 317 HD3 PRO 39 2HD PRO 39 -14.038 -1.931 -5.714 318 H SER 40 H SER 40 -17.841 -2.227 -1.655 319 HA SER 40 HA SER 40 -19.022 -3.520 -0.253 320 HB2 SER 40 1HB SER 40 -19.072 -5.557 -2.484 321 HB3 SER 40 2HB SER 40 -20.071 -5.567 -1.035 322 HG SER 40 HG SER 40 -20.113 -3.236 -2.540 323 H GLY 41 H GLY 41 -18.256 -4.464 1.464 324 HA2 GLY 41 1HA GLY 41 -15.564 -5.246 1.591 325 HA3 GLY 41 2HA GLY 41 -16.738 -5.400 2.885 326 H SER 42 H SER 42 -14.662 -7.039 1.005 327 HA SER 42 HA SER 42 -15.842 -9.582 1.795 328 HB2 SER 42 1HB SER 42 -14.699 -9.154 -0.976 329 HB3 SER 42 2HB SER 42 -15.477 -10.609 -0.355 330 HG SER 42 HG SER 42 -17.372 -9.156 -0.049 331 H ILE 43 H ILE 43 -14.330 -10.925 2.621 332 HA ILE 43 HA ILE 43 -12.329 -11.872 3.152 333 HB ILE 43 HB ILE 43 -11.113 -10.091 1.036 334 HG12 ILE 43 1HG1 ILE 43 -11.988 -12.984 0.869 335 HG13 ILE 43 2HG1 ILE 43 -12.839 -11.622 0.144 336 HG21 ILE 43 1HG2 ILE 43 -9.456 -10.878 2.619 337 HG22 ILE 43 2HG2 ILE 43 -9.258 -11.702 1.072 338 HG23 ILE 43 3HG2 ILE 43 -10.024 -12.537 2.423 339 HD11 ILE 43 3HD1 ILE 43 -10.058 -12.538 -0.553 340 HD12 ILE 43 1HD1 ILE 43 -10.911 -11.178 -1.280 341 HD13 ILE 43 2HD1 ILE 43 -11.517 -12.818 -1.502 342 H ILE 44 H ILE 44 -12.003 -8.397 2.556 343 HA ILE 44 HA ILE 44 -9.891 -7.939 4.356 344 HB ILE 44 HB ILE 44 -10.322 -5.603 4.074 345 HG12 ILE 44 1HG1 ILE 44 -12.895 -6.061 2.623 346 HG13 ILE 44 2HG1 ILE 44 -12.921 -6.108 4.383 347 HG21 ILE 44 1HG2 ILE 44 -9.364 -6.573 2.129 348 HG22 ILE 44 2HG2 ILE 44 -10.633 -5.489 1.555 349 HG23 ILE 44 3HG2 ILE 44 -10.914 -7.228 1.608 350 HD11 ILE 44 3HD1 ILE 44 -12.030 -3.862 4.478 351 HD12 ILE 44 1HD1 ILE 44 -13.497 -3.907 3.504 352 HD13 ILE 44 2HD1 ILE 44 -11.921 -3.811 2.720 353 H ASP 45 H ASP 45 -10.036 -6.518 6.292 354 HA ASP 45 HA ASP 45 -12.234 -7.405 7.994 355 HB2 ASP 45 1HB ASP 45 -10.875 -6.971 9.872 356 HB3 ASP 45 2HB ASP 45 -9.796 -7.695 8.694 Start of MODEL 18 1 H PHE 1 1H PHE 1 8.072 -14.213 1.299 2 HA PHE 1 HA PHE 1 5.755 -14.434 0.734 3 HB2 PHE 1 1HB PHE 1 6.333 -14.250 3.694 4 HB3 PHE 1 2HB PHE 1 4.923 -15.042 3.004 5 HD1 PHE 1 HD2 PHE 1 5.692 -16.708 0.957 6 HD2 PHE 1 HD1 PHE 1 7.961 -15.680 4.406 7 HE1 PHE 1 HE2 PHE 1 6.969 -18.798 0.733 8 HE2 PHE 1 HE1 PHE 1 9.246 -17.766 4.187 9 HZ PHE 1 HZ PHE 1 8.747 -19.328 2.350 10 H PHE 2 H PHE 2 6.373 -11.675 2.896 11 HA PHE 2 HA PHE 2 3.759 -10.903 3.363 12 HB2 PHE 2 1HB PHE 2 6.331 -9.382 3.272 13 HB3 PHE 2 2HB PHE 2 4.812 -8.517 3.485 14 HD1 PHE 2 HD2 PHE 2 3.239 -9.531 5.346 15 HD2 PHE 2 HD1 PHE 2 7.453 -10.084 5.156 16 HE1 PHE 2 HE2 PHE 2 3.277 -10.031 7.754 17 HE2 PHE 2 HE1 PHE 2 7.498 -10.585 7.563 18 HZ PHE 2 HZ PHE 2 5.409 -10.557 8.865 19 H ASP 3 H ASP 3 5.862 -9.511 0.794 20 HA ASP 3 HA ASP 3 3.461 -8.372 -0.364 21 HB2 ASP 3 1HB ASP 3 4.926 -7.193 -1.921 22 HB3 ASP 3 2HB ASP 3 5.360 -6.889 -0.246 23 H GLU 4 H GLU 4 5.090 -11.201 -0.622 24 HA GLU 4 HA GLU 4 4.479 -11.863 -3.325 25 HB2 GLU 4 1HB GLU 4 5.974 -13.234 -1.886 26 HB3 GLU 4 2HB GLU 4 4.598 -13.647 -0.875 27 HG2 GLU 4 1HG GLU 4 3.547 -14.735 -2.836 28 HG3 GLU 4 2HG GLU 4 5.019 -14.412 -3.753 29 H LYS 5 H LYS 5 2.851 -12.134 -0.229 30 HA LYS 5 HA LYS 5 0.316 -12.962 -1.113 31 HB2 LYS 5 1HB LYS 5 1.225 -12.862 1.262 32 HB3 LYS 5 2HB LYS 5 0.915 -11.136 1.215 33 HG2 LYS 5 1HG LYS 5 -0.887 -12.155 2.359 34 HG3 LYS 5 2HG LYS 5 -1.487 -11.661 0.775 35 HD2 LYS 5 1HD LYS 5 -1.503 -13.867 -0.026 36 HD3 LYS 5 2HD LYS 5 -0.464 -14.440 1.281 37 HE2 LYS 5 1HE LYS 5 -2.776 -15.157 1.609 38 HE3 LYS 5 2HE LYS 5 -2.257 -14.061 2.888 39 HZ1 LYS 5 3HZ LYS 5 -3.413 -12.261 1.739 40 HZ2 LYS 5 1HZ LYS 5 -4.469 -13.516 2.145 41 HZ3 LYS 5 2HZ LYS 5 -3.939 -13.345 0.551 42 H CYS 6 H CYS 6 1.852 -9.790 -0.801 43 HA CYS 6 HA CYS 6 -0.371 -8.173 -1.325 44 HB2 CYS 6 1HB CYS 6 1.834 -7.329 -0.516 45 HB3 CYS 6 2HB CYS 6 2.511 -7.639 -2.107 46 HG CYS 6 HG CYS 6 1.341 -5.624 -3.406 47 H ASN 7 H ASN 7 1.934 -9.712 -3.516 48 HA ASN 7 HA ASN 7 1.013 -8.617 -5.930 49 HB2 ASN 7 1HB ASN 7 3.123 -9.914 -5.642 50 HB3 ASN 7 2HB ASN 7 2.168 -11.378 -5.492 51 HD21 ASN 7 1HD2 ASN 7 3.115 -12.308 -7.293 52 HD22 ASN 7 2HD2 ASN 7 2.758 -11.784 -8.901 53 H LYS 8 H LYS 8 0.083 -11.517 -4.171 54 HA LYS 8 HA LYS 8 -1.802 -12.496 -5.992 55 HB2 LYS 8 1HB LYS 8 -0.942 -13.803 -4.090 56 HB3 LYS 8 2HB LYS 8 -1.816 -12.757 -2.980 57 HG2 LYS 8 1HG LYS 8 -2.970 -14.884 -3.354 58 HG3 LYS 8 2HG LYS 8 -3.934 -13.506 -3.888 59 HD2 LYS 8 1HD LYS 8 -3.196 -13.916 -6.200 60 HD3 LYS 8 2HD LYS 8 -2.284 -15.320 -5.647 61 HE2 LYS 8 1HE LYS 8 -4.306 -16.422 -4.953 62 HE3 LYS 8 2HE LYS 8 -5.260 -14.983 -5.312 63 HZ1 LYS 8 3HZ LYS 8 -3.796 -16.651 -7.283 64 HZ2 LYS 8 1HZ LYS 8 -4.638 -15.229 -7.651 65 HZ3 LYS 8 2HZ LYS 8 -5.469 -16.583 -7.077 66 H LEU 9 H LEU 9 -2.187 -10.226 -3.292 67 HA LEU 9 HA LEU 9 -5.002 -9.878 -3.794 68 HB2 LEU 9 1HB LEU 9 -3.037 -8.565 -1.945 69 HB3 LEU 9 2HB LEU 9 -4.630 -7.878 -2.180 70 HG LEU 9 HG LEU 9 -4.615 -9.207 -0.169 71 HD11 LEU 9 1HD1 LEU 9 -6.661 -9.206 -1.516 72 HD12 LEU 9 2HD1 LEU 9 -6.460 -10.709 -0.616 73 HD13 LEU 9 3HD1 LEU 9 -6.109 -10.663 -2.343 74 HD21 LEU 9 3HD2 LEU 9 -2.750 -10.688 -0.749 75 HD22 LEU 9 1HD2 LEU 9 -3.792 -11.538 -1.892 76 HD23 LEU 9 2HD2 LEU 9 -4.155 -11.586 -0.167 77 H LYS 10 H LYS 10 -2.306 -8.827 -5.347 78 HA LYS 10 HA LYS 10 -1.927 -7.356 -7.016 79 HB2 LYS 10 1HB LYS 10 -4.917 -6.957 -6.873 80 HB3 LYS 10 2HB LYS 10 -3.890 -6.276 -8.125 81 HG2 LYS 10 1HG LYS 10 -4.229 -9.214 -7.564 82 HG3 LYS 10 2HG LYS 10 -5.034 -8.317 -8.854 83 HD2 LYS 10 1HD LYS 10 -2.873 -7.784 -9.850 84 HD3 LYS 10 2HD LYS 10 -2.047 -8.631 -8.543 85 HE2 LYS 10 1HE LYS 10 -3.969 -9.891 -10.491 86 HE3 LYS 10 2HE LYS 10 -2.213 -9.984 -10.594 87 HZ1 LYS 10 3HZ LYS 10 -3.140 -11.963 -9.580 88 HZ2 LYS 10 1HZ LYS 10 -3.876 -11.038 -8.370 89 HZ3 LYS 10 2HZ LYS 10 -2.189 -11.123 -8.463 90 H GLY 11 H GLY 11 -1.551 -6.561 -4.363 91 HA2 GLY 11 1HA GLY 11 -2.426 -3.788 -4.200 92 HA3 GLY 11 2HA GLY 11 -1.489 -4.661 -2.995 93 H THR 12 H THR 12 -0.966 -2.025 -4.046 94 HA THR 12 HA THR 12 1.470 -2.480 -5.643 95 HB THR 12 HB THR 12 0.116 0.180 -5.263 96 HG1 THR 12 HG1 THR 12 -1.461 -1.194 -6.135 97 HG21 THR 12 1HG2 THR 12 1.830 -0.930 -7.487 98 HG22 THR 12 2HG2 THR 12 2.382 0.161 -6.218 99 HG23 THR 12 3HG2 THR 12 1.185 0.708 -7.391 100 H CYS 13 H CYS 13 3.406 -1.470 -5.025 101 HA CYS 13 HA CYS 13 3.675 -0.843 -2.227 102 HB2 CYS 13 1HB CYS 13 6.087 -0.224 -3.132 103 HB3 CYS 13 2HB CYS 13 5.599 -1.892 -2.894 104 HG CYS 13 HG CYS 13 6.548 -0.355 -5.649 105 H LYS 14 H LYS 14 2.858 1.001 -1.613 106 HA LYS 14 HA LYS 14 3.885 3.428 -2.873 107 HB2 LYS 14 1HB LYS 14 1.645 4.502 -2.552 108 HB3 LYS 14 2HB LYS 14 1.676 3.255 -3.790 109 HG2 LYS 14 1HG LYS 14 0.623 1.685 -2.307 110 HG3 LYS 14 2HG LYS 14 0.706 2.838 -0.973 111 HD2 LYS 14 1HD LYS 14 -1.523 2.842 -1.872 112 HD3 LYS 14 2HD LYS 14 -0.736 4.372 -2.272 113 HE2 LYS 14 1HE LYS 14 -0.307 3.592 -4.527 114 HE3 LYS 14 2HE LYS 14 -0.968 2.006 -4.134 115 HZ1 LYS 14 3HZ LYS 14 -2.461 4.570 -4.207 116 HZ2 LYS 14 1HZ LYS 14 -3.115 3.094 -3.691 117 HZ3 LYS 14 2HZ LYS 14 -2.607 3.288 -5.297 118 H ASN 15 H ASN 15 3.734 5.290 -1.418 119 HA ASN 15 HA ASN 15 4.452 4.464 1.262 120 HB2 ASN 15 1HB ASN 15 5.709 6.191 -0.023 121 HB3 ASN 15 2HB ASN 15 4.313 7.236 0.080 122 HD21 ASN 15 1HD2 ASN 15 6.955 5.820 1.809 123 HD22 ASN 15 2HD2 ASN 15 6.804 6.782 3.238 124 H ASN 16 H ASN 16 2.066 6.486 -0.317 125 HA ASN 16 HA ASN 16 0.479 6.544 2.170 126 HB2 ASN 16 1HB ASN 16 0.288 8.360 -0.246 127 HB3 ASN 16 2HB ASN 16 -0.634 8.521 1.245 128 HD21 ASN 16 1HD2 ASN 16 2.482 8.834 -0.249 129 HD22 ASN 16 2HD2 ASN 16 3.202 9.808 0.989 130 H CYS 17 H CYS 17 -1.380 5.442 2.226 131 HA CYS 17 HA CYS 17 -2.147 3.812 0.017 132 HB2 CYS 17 1HB CYS 17 -3.852 4.364 2.443 133 HB3 CYS 17 2HB CYS 17 -3.814 2.920 1.446 134 HG CYS 17 HG CYS 17 -1.133 2.300 2.297 135 H GLY 18 H GLY 18 -3.804 4.035 -1.408 136 HA2 GLY 18 1HA GLY 18 -4.827 6.764 -1.669 137 HA3 GLY 18 2HA GLY 18 -4.792 5.538 -2.926 138 H LYS 19 H LYS 19 -6.958 6.114 -3.365 139 HA LYS 19 HA LYS 19 -9.121 6.166 -1.719 140 HB2 LYS 19 1HB LYS 19 -10.408 5.300 -3.757 141 HB3 LYS 19 2HB LYS 19 -9.473 6.774 -3.948 142 HG2 LYS 19 1HG LYS 19 -8.826 5.719 -5.843 143 HG3 LYS 19 2HG LYS 19 -7.627 5.028 -4.749 144 HD2 LYS 19 1HD LYS 19 -9.298 3.134 -4.388 145 HD3 LYS 19 2HD LYS 19 -10.157 3.776 -5.789 146 HE2 LYS 19 1HE LYS 19 -8.708 2.023 -6.536 147 HE3 LYS 19 2HE LYS 19 -8.049 3.560 -7.094 148 HZ1 LYS 19 3HZ LYS 19 -7.110 2.017 -4.736 149 HZ2 LYS 19 1HZ LYS 19 -6.487 3.509 -5.236 150 HZ3 LYS 19 2HZ LYS 19 -6.311 2.146 -6.220 151 H ASN 20 H ASN 20 -9.788 4.837 -0.236 152 HA ASN 20 HA ASN 20 -10.504 2.984 0.858 153 HB2 ASN 20 1HB ASN 20 -12.029 3.056 -1.164 154 HB3 ASN 20 2HB ASN 20 -11.000 1.826 -1.886 155 HD21 ASN 20 1HD2 ASN 20 -12.698 0.366 -1.962 156 HD22 ASN 20 2HD2 ASN 20 -13.279 -0.438 -0.548 157 H GLU 21 H GLU 21 -7.857 2.976 0.879 158 HA GLU 21 HA GLU 21 -7.163 0.167 0.344 159 HB2 GLU 21 1HB GLU 21 -5.417 2.614 0.043 160 HB3 GLU 21 2HB GLU 21 -4.788 0.975 0.045 161 HG2 GLU 21 1HG GLU 21 -6.378 0.534 -1.886 162 HG3 GLU 21 2HG GLU 21 -6.600 2.278 -1.962 163 H GLU 22 H GLU 22 -5.457 -0.691 1.728 164 HA GLU 22 HA GLU 22 -5.124 0.722 4.281 165 HB2 GLU 22 1HB GLU 22 -5.578 -1.236 5.571 166 HB3 GLU 22 2HB GLU 22 -6.923 -1.046 4.455 167 HG2 GLU 22 1HG GLU 22 -6.094 -2.790 3.049 168 HG3 GLU 22 2HG GLU 22 -4.593 -2.880 3.966 169 H LEU 23 H LEU 23 -3.250 0.042 5.476 170 HA LEU 23 HA LEU 23 -1.032 -0.743 3.806 171 HB2 LEU 23 1HB LEU 23 -1.177 0.878 5.920 172 HB3 LEU 23 2HB LEU 23 -0.835 -0.603 6.768 173 HG LEU 23 HG LEU 23 0.923 0.597 4.632 174 HD11 LEU 23 1HD1 LEU 23 1.174 0.594 7.637 175 HD12 LEU 23 2HD1 LEU 23 0.895 1.999 6.609 176 HD13 LEU 23 3HD1 LEU 23 2.422 1.126 6.513 177 HD21 LEU 23 3HD2 LEU 23 1.357 -1.688 6.536 178 HD22 LEU 23 1HD2 LEU 23 2.547 -1.041 5.407 179 HD23 LEU 23 2HD2 LEU 23 1.087 -1.824 4.800 180 H ILE 24 H ILE 24 -0.654 -2.792 3.370 181 HA ILE 24 HA ILE 24 -1.751 -4.868 5.127 182 HB ILE 24 HB ILE 24 -2.254 -6.084 3.308 183 HG12 ILE 24 1HG1 ILE 24 0.164 -5.199 1.760 184 HG13 ILE 24 2HG1 ILE 24 0.302 -6.412 3.028 185 HG21 ILE 24 1HG2 ILE 24 -1.549 -3.505 1.924 186 HG22 ILE 24 2HG2 ILE 24 -3.104 -3.932 2.639 187 HG23 ILE 24 3HG2 ILE 24 -2.514 -4.804 1.224 188 HD11 ILE 24 3HD1 ILE 24 -1.352 -6.573 0.541 189 HD12 ILE 24 1HD1 ILE 24 -1.397 -7.745 1.859 190 HD13 ILE 24 2HD1 ILE 24 0.094 -7.505 0.945 191 H ALA 25 H ALA 25 1.225 -3.781 3.612 192 HA ALA 25 HA ALA 25 2.817 -5.395 5.413 193 HB1 ALA 25 3HB ALA 25 2.268 -6.948 3.537 194 HB2 ALA 25 1HB ALA 25 3.994 -6.621 3.702 195 HB3 ALA 25 2HB ALA 25 3.065 -5.828 2.434 196 H LEU 26 H LEU 26 5.150 -4.990 5.046 197 HA LEU 26 HA LEU 26 5.486 -2.163 4.351 198 HB2 LEU 26 1HB LEU 26 6.904 -4.000 6.250 199 HB3 LEU 26 2HB LEU 26 7.566 -2.433 5.809 200 HG LEU 26 HG LEU 26 4.906 -2.898 7.169 201 HD11 LEU 26 1HD1 LEU 26 5.987 -1.932 9.131 202 HD12 LEU 26 2HD1 LEU 26 7.515 -1.853 8.254 203 HD13 LEU 26 3HD1 LEU 26 6.788 -3.417 8.621 204 HD21 LEU 26 3HD2 LEU 26 4.852 -0.897 5.801 205 HD22 LEU 26 1HD2 LEU 26 6.380 -0.354 6.494 206 HD23 LEU 26 2HD2 LEU 26 4.940 -0.454 7.504 207 H CYS 27 H CYS 27 7.077 -1.503 2.985 208 HA CYS 27 HA CYS 27 8.460 -3.637 1.501 209 HB2 CYS 27 1HB CYS 27 7.473 -0.939 0.555 210 HB3 CYS 27 2HB CYS 27 8.414 -2.050 -0.430 211 HG CYS 27 HG CYS 27 6.502 -3.749 -1.010 212 H GLN 28 H GLN 28 10.477 -2.813 0.378 213 HA GLN 28 HA GLN 28 12.223 -1.599 2.275 214 HB2 GLN 28 1HB GLN 28 12.670 -2.199 -0.645 215 HB3 GLN 28 2HB GLN 28 13.920 -1.760 0.506 216 HG2 GLN 28 1HG GLN 28 12.191 -4.216 0.703 217 HG3 GLN 28 2HG GLN 28 13.829 -4.179 0.053 218 HE21 GLN 28 1HE2 GLN 28 11.876 -3.929 2.926 219 HE22 GLN 28 2HE2 GLN 28 13.170 -4.091 4.060 220 H LYS 29 H LYS 29 13.713 0.206 1.407 221 HA LYS 29 HA LYS 29 13.901 2.445 1.241 222 HB2 LYS 29 1HB LYS 29 13.468 3.404 -0.834 223 HB3 LYS 29 2HB LYS 29 13.858 1.720 -1.127 224 HG2 LYS 29 1HG LYS 29 11.089 1.960 -0.765 225 HG3 LYS 29 2HG LYS 29 11.587 3.170 -1.948 226 HD2 LYS 29 1HD LYS 29 12.726 1.402 -3.234 227 HD3 LYS 29 2HD LYS 29 12.168 0.206 -2.062 228 HE2 LYS 29 1HE LYS 29 9.853 0.727 -2.610 229 HE3 LYS 29 2HE LYS 29 10.390 1.962 -3.750 230 HZ1 LYS 29 3HZ LYS 29 10.846 -0.963 -3.960 231 HZ2 LYS 29 1HZ LYS 29 11.518 0.184 -5.006 232 HZ3 LYS 29 2HZ LYS 29 9.842 -0.020 -4.937 233 H SER 30 H SER 30 11.710 1.424 2.703 234 HA SER 30 HA SER 30 10.241 2.280 4.200 235 HB2 SER 30 1HB SER 30 11.713 4.283 4.181 236 HB3 SER 30 2HB SER 30 10.727 4.961 2.889 237 HG SER 30 HG SER 30 8.918 4.711 4.399 238 H LEU 31 H LEU 31 9.517 1.544 1.281 239 HA LEU 31 HA LEU 31 6.984 2.879 0.984 240 HB2 LEU 31 1HB LEU 31 8.471 0.754 -0.444 241 HB3 LEU 31 2HB LEU 31 6.767 0.856 -0.697 242 HG LEU 31 HG LEU 31 8.410 2.060 -2.309 243 HD11 LEU 31 1HD1 LEU 31 5.947 2.129 -2.343 244 HD12 LEU 31 2HD1 LEU 31 6.688 3.654 -2.839 245 HD13 LEU 31 3HD1 LEU 31 5.998 3.495 -1.220 246 HD21 LEU 31 3HD2 LEU 31 8.101 4.171 -0.185 247 HD22 LEU 31 1HD2 LEU 31 8.872 4.361 -1.757 248 HD23 LEU 31 2HD2 LEU 31 9.597 3.311 -0.540 249 H LYS 32 H LYS 32 5.136 1.206 0.464 250 HA LYS 32 HA LYS 32 4.953 -0.884 2.481 251 HB2 LYS 32 1HB LYS 32 2.991 1.427 2.429 252 HB3 LYS 32 2HB LYS 32 2.826 -0.024 3.401 253 HG2 LYS 32 1HG LYS 32 3.665 1.370 4.974 254 HG3 LYS 32 2HG LYS 32 5.185 0.771 4.314 255 HD2 LYS 32 1HD LYS 32 5.316 2.738 2.853 256 HD3 LYS 32 2HD LYS 32 3.806 3.339 3.534 257 HE2 LYS 32 1HE LYS 32 6.369 2.866 5.051 258 HE3 LYS 32 2HE LYS 32 5.749 4.434 4.539 259 HZ1 LYS 32 3HZ LYS 32 3.756 3.966 5.926 260 HZ2 LYS 32 1HZ LYS 32 5.191 4.115 6.811 261 HZ3 LYS 32 2HZ LYS 32 4.535 2.590 6.518 262 H CYS 33 H CYS 33 3.231 -2.350 2.085 263 HA CYS 33 HA CYS 33 2.240 -2.305 -0.645 264 HB2 CYS 33 1HB CYS 33 2.013 -4.335 1.582 265 HB3 CYS 33 2HB CYS 33 1.323 -4.548 -0.018 266 HG CYS 33 HG CYS 33 4.538 -3.803 -0.199 267 H CYS 34 H CYS 34 0.369 -1.345 -1.087 268 HA CYS 34 HA CYS 34 -1.679 -1.293 1.028 269 HB2 CYS 34 1HB CYS 34 -1.249 0.710 -1.200 270 HB3 CYS 34 2HB CYS 34 -2.517 0.784 0.021 271 HG CYS 34 HG CYS 34 0.830 0.956 0.721 272 H ARG 35 H ARG 35 -3.571 -2.215 0.586 273 HA ARG 35 HA ARG 35 -4.005 -3.136 -2.183 274 HB2 ARG 35 1HB ARG 35 -5.178 -5.050 -1.316 275 HB3 ARG 35 2HB ARG 35 -3.628 -4.943 -0.498 276 HG2 ARG 35 1HG ARG 35 -4.891 -3.745 1.369 277 HG3 ARG 35 2HG ARG 35 -6.357 -4.319 0.578 278 HD2 ARG 35 1HD ARG 35 -5.473 -6.642 0.768 279 HD3 ARG 35 2HD ARG 35 -4.109 -6.005 1.673 280 HE ARG 35 HE ARG 35 -6.485 -5.137 2.890 281 HH11 ARG 35 1HH1 ARG 35 -4.652 -8.089 2.415 282 HH12 ARG 35 2HH1 ARG 35 -5.213 -8.815 3.883 283 HH21 ARG 35 1HH2 ARG 35 -7.210 -6.079 4.809 284 HH22 ARG 35 2HH2 ARG 35 -6.678 -7.679 5.246 285 H THR 36 H THR 36 -5.870 -2.650 -3.181 286 HA THR 36 HA THR 36 -7.653 -0.769 -1.932 287 HB THR 36 HB THR 36 -7.862 -2.098 -4.643 288 HG1 THR 36 HG1 THR 36 -6.101 -0.341 -3.795 289 HG21 THR 36 1HG2 THR 36 -9.350 -0.219 -5.194 290 HG22 THR 36 2HG2 THR 36 -9.237 0.354 -3.531 291 HG23 THR 36 3HG2 THR 36 -10.003 -1.196 -3.879 292 H ILE 37 H ILE 37 -9.390 -1.204 -0.843 293 HA ILE 37 HA ILE 37 -10.149 -3.856 -0.196 294 HB ILE 37 HB ILE 37 -11.595 -1.258 0.311 295 HG12 ILE 37 1HG1 ILE 37 -9.331 -1.141 1.136 296 HG13 ILE 37 2HG1 ILE 37 -10.407 -1.362 2.504 297 HG21 ILE 37 1HG2 ILE 37 -13.041 -3.161 0.662 298 HG22 ILE 37 2HG2 ILE 37 -12.585 -2.466 2.217 299 HG23 ILE 37 3HG2 ILE 37 -11.814 -3.947 1.650 300 HD11 ILE 37 3HD1 ILE 37 -8.761 -3.509 1.189 301 HD12 ILE 37 1HD1 ILE 37 -9.830 -3.733 2.572 302 HD13 ILE 37 2HD1 ILE 37 -8.399 -2.713 2.722 303 H GLN 38 H GLN 38 -10.908 -5.032 -1.851 304 HA GLN 38 HA GLN 38 -13.189 -4.013 -3.378 305 HB2 GLN 38 1HB GLN 38 -12.815 -6.007 -4.828 306 HB3 GLN 38 2HB GLN 38 -11.437 -4.919 -4.764 307 HG2 GLN 38 1HG GLN 38 -10.358 -6.412 -3.140 308 HG3 GLN 38 2HG GLN 38 -11.729 -7.514 -3.268 309 HE21 GLN 38 1HE2 GLN 38 -8.925 -7.979 -3.863 310 HE22 GLN 38 2HE2 GLN 38 -8.856 -8.468 -5.521 311 HA PRO 39 HA PRO 39 -16.055 -6.140 -0.764 312 HB2 PRO 39 1HB PRO 39 -17.576 -6.499 -3.299 313 HB3 PRO 39 2HB PRO 39 -18.106 -5.818 -1.757 314 HG2 PRO 39 1HG PRO 39 -17.593 -4.230 -3.829 315 HG3 PRO 39 2HG PRO 39 -17.132 -3.752 -2.184 316 HD2 PRO 39 1HD PRO 39 -15.430 -4.795 -4.407 317 HD3 PRO 39 2HD PRO 39 -15.065 -3.560 -3.184 318 H SER 40 H SER 40 -15.650 -8.136 -0.095 319 HA SER 40 HA SER 40 -16.028 -10.432 -1.777 320 HB2 SER 40 1HB SER 40 -13.262 -9.754 -0.738 321 HB3 SER 40 2HB SER 40 -13.717 -11.299 -1.448 322 HG SER 40 HG SER 40 -14.426 -9.247 -3.063 323 H GLY 41 H GLY 41 -15.591 -12.465 -0.496 324 HA2 GLY 41 1HA GLY 41 -16.591 -12.100 2.203 325 HA3 GLY 41 2HA GLY 41 -16.362 -13.632 1.370 326 H SER 42 H SER 42 -15.483 -12.274 4.024 327 HA SER 42 HA SER 42 -13.809 -12.547 5.515 328 HB2 SER 42 1HB SER 42 -13.664 -14.860 4.494 329 HB3 SER 42 2HB SER 42 -12.373 -14.244 3.462 330 HG SER 42 HG SER 42 -12.400 -14.665 6.243 331 H ILE 43 H ILE 43 -11.219 -12.328 5.592 332 HA ILE 43 HA ILE 43 -9.437 -10.938 5.365 333 HB ILE 43 HB ILE 43 -10.631 -10.184 2.691 334 HG12 ILE 43 1HG1 ILE 43 -10.032 -12.550 2.800 335 HG13 ILE 43 2HG1 ILE 43 -8.902 -11.688 1.762 336 HG21 ILE 43 1HG2 ILE 43 -9.137 -8.449 3.512 337 HG22 ILE 43 2HG2 ILE 43 -8.407 -9.306 2.153 338 HG23 ILE 43 3HG2 ILE 43 -7.877 -9.649 3.799 339 HD11 ILE 43 3HD1 ILE 43 -7.289 -11.635 3.622 340 HD12 ILE 43 1HD1 ILE 43 -7.721 -13.273 3.129 341 HD13 ILE 43 2HD1 ILE 43 -8.417 -12.581 4.593 342 H ILE 44 H ILE 44 -12.260 -9.250 3.978 343 HA ILE 44 HA ILE 44 -12.294 -7.428 6.210 344 HB ILE 44 HB ILE 44 -10.632 -6.351 4.758 345 HG12 ILE 44 1HG1 ILE 44 -13.258 -4.849 4.714 346 HG13 ILE 44 2HG1 ILE 44 -12.249 -5.033 6.144 347 HG21 ILE 44 1HG2 ILE 44 -12.816 -6.190 2.680 348 HG22 ILE 44 2HG2 ILE 44 -11.430 -7.278 2.614 349 HG23 ILE 44 3HG2 ILE 44 -11.181 -5.532 2.543 350 HD11 ILE 44 3HD1 ILE 44 -11.546 -3.595 3.606 351 HD12 ILE 44 1HD1 ILE 44 -10.429 -3.873 4.940 352 HD13 ILE 44 2HD1 ILE 44 -11.868 -2.886 5.185 353 H ASP 45 H ASP 45 -14.254 -6.181 6.283 354 HA ASP 45 HA ASP 45 -16.397 -7.493 4.763 355 HB2 ASP 45 1HB ASP 45 -16.608 -5.933 7.350 356 HB3 ASP 45 2HB ASP 45 -17.891 -6.856 6.577 Start of MODEL 19 1 H PHE 1 1H PHE 1 9.006 -11.412 -0.360 2 HA PHE 1 HA PHE 1 6.923 -13.403 0.270 3 HB2 PHE 1 1HB PHE 1 8.922 -13.671 1.666 4 HB3 PHE 1 2HB PHE 1 8.888 -11.959 2.064 5 HD1 PHE 1 HD1 PHE 1 7.200 -15.185 2.557 6 HD2 PHE 1 HD2 PHE 1 7.432 -11.109 3.748 7 HE1 PHE 1 HE1 PHE 1 5.795 -15.680 4.511 8 HE2 PHE 1 HE2 PHE 1 6.021 -11.597 5.702 9 HZ PHE 1 HZ PHE 1 5.202 -13.886 6.085 10 H PHE 2 H PHE 2 8.047 -10.142 1.230 11 HA PHE 2 HA PHE 2 5.598 -9.366 2.315 12 HB2 PHE 2 1HB PHE 2 7.828 -7.666 1.201 13 HB3 PHE 2 2HB PHE 2 6.470 -7.032 2.124 14 HD1 PHE 2 HD2 PHE 2 6.093 -8.686 4.342 15 HD2 PHE 2 HD1 PHE 2 9.759 -7.709 2.422 16 HE1 PHE 2 HE2 PHE 2 7.303 -9.143 6.433 17 HE2 PHE 2 HE1 PHE 2 10.978 -8.167 4.509 18 HZ PHE 2 HZ PHE 2 9.748 -8.885 6.518 19 H ASP 3 H ASP 3 6.950 -8.493 -0.885 20 HA ASP 3 HA ASP 3 4.311 -7.501 -1.568 21 HB2 ASP 3 1HB ASP 3 5.271 -6.533 -3.552 22 HB3 ASP 3 2HB ASP 3 6.206 -6.065 -2.141 23 H GLU 4 H GLU 4 5.811 -10.406 -1.705 24 HA GLU 4 HA GLU 4 4.621 -11.345 -4.139 25 HB2 GLU 4 1HB GLU 4 6.427 -12.594 -2.910 26 HB3 GLU 4 2HB GLU 4 5.253 -12.952 -1.649 27 HG2 GLU 4 1HG GLU 4 3.859 -14.108 -3.326 28 HG3 GLU 4 2HG GLU 4 5.120 -13.825 -4.524 29 H LYS 5 H LYS 5 3.748 -11.150 -0.758 30 HA LYS 5 HA LYS 5 1.079 -12.002 -0.923 31 HB2 LYS 5 1HB LYS 5 2.386 -11.630 1.169 32 HB3 LYS 5 2HB LYS 5 2.292 -9.903 0.878 33 HG2 LYS 5 1HG LYS 5 0.653 -10.384 2.481 34 HG3 LYS 5 2HG LYS 5 -0.215 -10.149 0.963 35 HD2 LYS 5 1HD LYS 5 -0.496 -12.500 0.677 36 HD3 LYS 5 2HD LYS 5 0.600 -12.852 2.014 37 HE2 LYS 5 1HE LYS 5 -2.094 -11.509 2.202 38 HE3 LYS 5 2HE LYS 5 -1.707 -13.149 2.713 39 HZ1 LYS 5 3HZ LYS 5 -0.594 -10.652 3.879 40 HZ2 LYS 5 1HZ LYS 5 -0.173 -12.220 4.353 41 HZ3 LYS 5 2HZ LYS 5 -1.748 -11.656 4.594 42 H CYS 6 H CYS 6 2.616 -8.829 -1.296 43 HA CYS 6 HA CYS 6 0.341 -7.253 -1.586 44 HB2 CYS 6 1HB CYS 6 2.742 -6.482 -1.344 45 HB3 CYS 6 2HB CYS 6 2.963 -6.853 -3.047 46 HG CYS 6 HG CYS 6 1.283 -4.914 -4.002 47 H ASN 7 H ASN 7 2.255 -8.918 -4.073 48 HA ASN 7 HA ASN 7 0.780 -8.147 -6.320 49 HB2 ASN 7 1HB ASN 7 2.990 -9.310 -6.335 50 HB3 ASN 7 2HB ASN 7 2.170 -10.793 -5.879 51 HD21 ASN 7 1HD2 ASN 7 2.811 -11.844 -7.746 52 HD22 ASN 7 2HD2 ASN 7 2.131 -11.483 -9.292 53 H LYS 8 H LYS 8 0.412 -10.870 -4.132 54 HA LYS 8 HA LYS 8 -1.647 -12.228 -5.430 55 HB2 LYS 8 1HB LYS 8 -0.377 -13.149 -3.532 56 HB3 LYS 8 2HB LYS 8 -1.155 -11.999 -2.455 57 HG2 LYS 8 1HG LYS 8 -2.204 -14.141 -2.221 58 HG3 LYS 8 2HG LYS 8 -3.335 -13.027 -2.992 59 HD2 LYS 8 1HD LYS 8 -2.746 -13.973 -5.183 60 HD3 LYS 8 2HD LYS 8 -1.650 -15.105 -4.389 61 HE2 LYS 8 1HE LYS 8 -4.635 -14.932 -3.997 62 HE3 LYS 8 2HE LYS 8 -3.773 -16.173 -4.905 63 HZ1 LYS 8 3HZ LYS 8 -4.335 -16.979 -2.725 64 HZ2 LYS 8 1HZ LYS 8 -3.558 -15.669 -1.987 65 HZ3 LYS 8 2HZ LYS 8 -2.656 -16.815 -2.839 66 H LEU 9 H LEU 9 -1.804 -9.589 -3.066 67 HA LEU 9 HA LEU 9 -4.696 -9.529 -3.163 68 HB2 LEU 9 1HB LEU 9 -2.642 -7.869 -1.732 69 HB3 LEU 9 2HB LEU 9 -4.325 -7.393 -1.772 70 HG LEU 9 HG LEU 9 -3.926 -8.493 0.303 71 HD11 LEU 9 1HD1 LEU 9 -5.498 -10.326 0.230 72 HD12 LEU 9 2HD1 LEU 9 -5.326 -10.436 -1.522 73 HD13 LEU 9 3HD1 LEU 9 -6.054 -9.003 -0.795 74 HD21 LEU 9 3HD2 LEU 9 -3.040 -10.737 0.496 75 HD22 LEU 9 1HD2 LEU 9 -1.886 -9.689 -0.332 76 HD23 LEU 9 2HD2 LEU 9 -2.858 -10.837 -1.255 77 H LYS 10 H LYS 10 -2.316 -8.464 -5.153 78 HA LYS 10 HA LYS 10 -2.242 -7.105 -6.954 79 HB2 LYS 10 1HB LYS 10 -5.201 -7.057 -6.439 80 HB3 LYS 10 2HB LYS 10 -4.491 -6.088 -7.719 81 HG2 LYS 10 1HG LYS 10 -4.254 -9.080 -7.465 82 HG3 LYS 10 2HG LYS 10 -5.374 -8.229 -8.531 83 HD2 LYS 10 1HD LYS 10 -2.362 -8.044 -8.641 84 HD3 LYS 10 2HD LYS 10 -3.369 -9.003 -9.725 85 HE2 LYS 10 1HE LYS 10 -4.418 -7.028 -10.593 86 HE3 LYS 10 2HE LYS 10 -3.606 -6.016 -9.401 87 HZ1 LYS 10 3HZ LYS 10 -2.514 -5.852 -11.517 88 HZ2 LYS 10 1HZ LYS 10 -2.298 -7.528 -11.590 89 HZ3 LYS 10 2HZ LYS 10 -1.486 -6.619 -10.416 90 H GLY 11 H GLY 11 -1.652 -6.109 -4.378 91 HA2 GLY 11 1HA GLY 11 -2.586 -3.325 -4.487 92 HA3 GLY 11 2HA GLY 11 -1.773 -4.084 -3.124 93 H THR 12 H THR 12 -0.805 -1.724 -3.774 94 HA THR 12 HA THR 12 1.647 -2.318 -5.312 95 HB THR 12 HB THR 12 0.526 0.456 -5.049 96 HG1 THR 12 HG1 THR 12 -0.247 -1.580 -6.879 97 HG21 THR 12 1HG2 THR 12 1.751 0.825 -7.134 98 HG22 THR 12 2HG2 THR 12 2.235 -0.871 -7.157 99 HG23 THR 12 3HG2 THR 12 2.817 0.196 -5.878 100 H CYS 13 H CYS 13 3.594 -1.479 -4.465 101 HA CYS 13 HA CYS 13 3.501 -0.724 -1.656 102 HB2 CYS 13 1HB CYS 13 6.026 -0.847 -3.301 103 HB3 CYS 13 2HB CYS 13 5.818 -1.095 -1.576 104 HG CYS 13 HG CYS 13 6.008 -3.633 -1.828 105 H LYS 14 H LYS 14 2.848 1.325 -1.416 106 HA LYS 14 HA LYS 14 4.279 3.398 -2.943 107 HB2 LYS 14 1HB LYS 14 1.776 4.400 -1.982 108 HB3 LYS 14 2HB LYS 14 2.351 4.303 -3.636 109 HG2 LYS 14 1HG LYS 14 1.517 1.968 -3.714 110 HG3 LYS 14 2HG LYS 14 0.853 2.209 -2.096 111 HD2 LYS 14 1HD LYS 14 -0.286 4.287 -3.158 112 HD3 LYS 14 2HD LYS 14 0.022 3.449 -4.685 113 HE2 LYS 14 1HE LYS 14 -1.135 1.464 -3.781 114 HE3 LYS 14 2HE LYS 14 -1.491 2.381 -2.319 115 HZ1 LYS 14 3HZ LYS 14 -2.710 3.976 -3.729 116 HZ2 LYS 14 1HZ LYS 14 -3.390 2.424 -3.740 117 HZ3 LYS 14 2HZ LYS 14 -2.468 2.961 -5.057 118 H ASN 15 H ASN 15 3.995 5.582 -1.798 119 HA ASN 15 HA ASN 15 4.923 5.384 0.895 120 HB2 ASN 15 1HB ASN 15 5.323 7.224 -0.922 121 HB3 ASN 15 2HB ASN 15 3.836 7.880 -0.291 122 HD21 ASN 15 1HD2 ASN 15 6.490 9.017 -0.230 123 HD22 ASN 15 2HD2 ASN 15 6.870 9.279 1.438 124 H ASN 16 H ASN 16 2.003 6.404 -0.728 125 HA ASN 16 HA ASN 16 0.573 6.493 1.860 126 HB2 ASN 16 1HB ASN 16 0.017 8.088 -0.650 127 HB3 ASN 16 2HB ASN 16 -0.886 8.192 0.858 128 HD21 ASN 16 1HD2 ASN 16 2.177 8.813 -0.689 129 HD22 ASN 16 2HD2 ASN 16 2.724 10.010 0.441 130 H CYS 17 H CYS 17 -1.510 5.647 1.953 131 HA CYS 17 HA CYS 17 -2.167 3.664 -0.038 132 HB2 CYS 17 1HB CYS 17 -3.805 4.531 2.353 133 HB3 CYS 17 2HB CYS 17 -3.959 3.033 1.447 134 HG CYS 17 HG CYS 17 -1.225 2.309 2.223 135 H GLY 18 H GLY 18 -3.948 3.694 -1.391 136 HA2 GLY 18 1HA GLY 18 -4.837 6.374 -2.123 137 HA3 GLY 18 2HA GLY 18 -5.091 4.897 -3.044 138 H LYS 19 H LYS 19 -7.283 5.666 -3.304 139 HA LYS 19 HA LYS 19 -9.017 5.982 -1.101 140 HB2 LYS 19 1HB LYS 19 -10.843 5.718 -2.802 141 HB3 LYS 19 2HB LYS 19 -9.667 6.968 -3.164 142 HG2 LYS 19 1HG LYS 19 -9.875 6.013 -5.218 143 HG3 LYS 19 2HG LYS 19 -8.553 5.040 -4.575 144 HD2 LYS 19 1HD LYS 19 -10.171 3.305 -3.916 145 HD3 LYS 19 2HD LYS 19 -11.476 4.280 -4.598 146 HE2 LYS 19 1HE LYS 19 -9.136 3.117 -6.103 147 HE3 LYS 19 2HE LYS 19 -10.796 2.533 -6.149 148 HZ1 LYS 19 3HZ LYS 19 -11.444 4.709 -7.074 149 HZ2 LYS 19 1HZ LYS 19 -10.366 3.871 -8.070 150 HZ3 LYS 19 2HZ LYS 19 -9.815 5.158 -7.128 151 H ASN 20 H ASN 20 -10.028 4.582 0.144 152 HA ASN 20 HA ASN 20 -10.713 2.638 1.089 153 HB2 ASN 20 1HB ASN 20 -12.274 2.823 -0.865 154 HB3 ASN 20 2HB ASN 20 -11.196 1.768 -1.769 155 HD21 ASN 20 1HD2 ASN 20 -11.813 1.340 1.649 156 HD22 ASN 20 2HD2 ASN 20 -12.725 -0.120 1.489 157 H GLU 21 H GLU 21 -8.167 2.609 1.300 158 HA GLU 21 HA GLU 21 -7.309 -0.079 0.499 159 HB2 GLU 21 1HB GLU 21 -5.829 2.505 0.132 160 HB3 GLU 21 2HB GLU 21 -4.946 0.998 0.333 161 HG2 GLU 21 1HG GLU 21 -6.169 0.077 -1.601 162 HG3 GLU 21 2HG GLU 21 -6.947 1.642 -1.822 163 H GLU 22 H GLU 22 -5.936 -1.133 1.911 164 HA GLU 22 HA GLU 22 -5.480 0.207 4.499 165 HB2 GLU 22 1HB GLU 22 -5.771 -1.909 5.630 166 HB3 GLU 22 2HB GLU 22 -7.190 -1.596 4.643 167 HG2 GLU 22 1HG GLU 22 -6.465 -3.173 2.994 168 HG3 GLU 22 2HG GLU 22 -4.917 -3.378 3.808 169 H LEU 23 H LEU 23 -3.602 -0.645 5.696 170 HA LEU 23 HA LEU 23 -1.351 -1.021 3.905 171 HB2 LEU 23 1HB LEU 23 -1.637 0.372 6.214 172 HB3 LEU 23 2HB LEU 23 -0.958 -1.124 6.821 173 HG LEU 23 HG LEU 23 1.043 -0.846 5.507 174 HD11 LEU 23 1HD1 LEU 23 1.163 1.406 4.208 175 HD12 LEU 23 2HD1 LEU 23 -0.592 1.254 4.164 176 HD13 LEU 23 3HD1 LEU 23 0.423 -0.012 3.464 177 HD21 LEU 23 3HD2 LEU 23 0.845 0.403 7.638 178 HD22 LEU 23 1HD2 LEU 23 0.294 1.807 6.727 179 HD23 LEU 23 2HD2 LEU 23 1.921 1.175 6.474 180 H ILE 24 H ILE 24 -0.859 -2.982 3.287 181 HA ILE 24 HA ILE 24 -1.857 -5.245 4.850 182 HB ILE 24 HB ILE 24 -2.176 -6.392 2.897 183 HG12 ILE 24 1HG1 ILE 24 -0.383 -4.935 1.087 184 HG13 ILE 24 2HG1 ILE 24 0.460 -5.758 2.396 185 HG21 ILE 24 1HG2 ILE 24 -3.462 -4.376 2.684 186 HG22 ILE 24 2HG2 ILE 24 -2.840 -4.836 1.100 187 HG23 ILE 24 3HG2 ILE 24 -2.082 -3.523 1.995 188 HD11 ILE 24 3HD1 ILE 24 -1.419 -7.006 0.419 189 HD12 ILE 24 1HD1 ILE 24 -0.662 -7.836 1.777 190 HD13 ILE 24 2HD1 ILE 24 0.336 -7.183 0.479 191 H ALA 25 H ALA 25 1.083 -3.778 3.738 192 HA ALA 25 HA ALA 25 2.693 -5.503 5.353 193 HB1 ALA 25 3HB ALA 25 3.004 -5.779 2.361 194 HB2 ALA 25 1HB ALA 25 2.303 -6.997 3.425 195 HB3 ALA 25 2HB ALA 25 4.002 -6.549 3.595 196 H LEU 26 H LEU 26 4.966 -4.980 5.201 197 HA LEU 26 HA LEU 26 5.401 -2.242 4.230 198 HB2 LEU 26 1HB LEU 26 5.314 -2.269 6.594 199 HB3 LEU 26 2HB LEU 26 6.388 -3.634 6.713 200 HG LEU 26 HG LEU 26 7.336 -1.433 7.434 201 HD11 LEU 26 1HD1 LEU 26 8.833 -3.230 6.820 202 HD12 LEU 26 2HD1 LEU 26 9.490 -1.670 6.323 203 HD13 LEU 26 3HD1 LEU 26 8.756 -2.740 5.127 204 HD21 LEU 26 3HD2 LEU 26 7.984 0.202 5.771 205 HD22 LEU 26 1HD2 LEU 26 6.237 -0.032 5.773 206 HD23 LEU 26 2HD2 LEU 26 7.223 -0.759 4.505 207 H CYS 27 H CYS 27 7.101 -1.871 3.031 208 HA CYS 27 HA CYS 27 8.630 -4.230 2.144 209 HB2 CYS 27 1HB CYS 27 7.399 -1.946 0.645 210 HB3 CYS 27 2HB CYS 27 8.773 -2.794 -0.044 211 HG CYS 27 HG CYS 27 5.673 -4.055 0.646 212 H GLN 28 H GLN 28 10.574 -3.264 0.666 213 HA GLN 28 HA GLN 28 12.263 -1.886 2.549 214 HB2 GLN 28 1HB GLN 28 12.929 -2.630 -0.294 215 HB3 GLN 28 2HB GLN 28 14.054 -2.278 1.004 216 HG2 GLN 28 1HG GLN 28 12.272 -4.680 0.740 217 HG3 GLN 28 2HG GLN 28 14.030 -4.632 0.644 218 HE21 GLN 28 1HE2 GLN 28 12.294 -6.175 2.388 219 HE22 GLN 28 2HE2 GLN 28 12.756 -5.768 4.006 220 H LYS 29 H LYS 29 13.675 -0.073 1.630 221 HA LYS 29 HA LYS 29 13.868 2.068 0.886 222 HB2 LYS 29 1HB LYS 29 11.655 1.342 -1.025 223 HB3 LYS 29 2HB LYS 29 12.715 2.736 -1.159 224 HG2 LYS 29 1HG LYS 29 14.616 1.274 -1.525 225 HG3 LYS 29 2HG LYS 29 13.586 -0.141 -1.315 226 HD2 LYS 29 1HD LYS 29 13.359 1.936 -3.494 227 HD3 LYS 29 2HD LYS 29 13.960 0.288 -3.678 228 HE2 LYS 29 1HE LYS 29 11.151 1.077 -2.888 229 HE3 LYS 29 2HE LYS 29 11.656 0.487 -4.469 230 HZ1 LYS 29 3HZ LYS 29 10.680 -1.297 -3.235 231 HZ2 LYS 29 1HZ LYS 29 11.707 -1.030 -1.918 232 HZ3 LYS 29 2HZ LYS 29 12.335 -1.599 -3.377 233 H SER 30 H SER 30 11.610 0.967 2.696 234 HA SER 30 HA SER 30 10.128 1.834 4.160 235 HB2 SER 30 1HB SER 30 10.746 4.515 2.900 236 HB3 SER 30 2HB SER 30 9.917 4.252 4.435 237 HG SER 30 HG SER 30 12.003 2.961 4.869 238 H LEU 31 H LEU 31 9.504 1.197 1.172 239 HA LEU 31 HA LEU 31 7.023 2.582 0.777 240 HB2 LEU 31 1HB LEU 31 8.439 0.321 -0.590 241 HB3 LEU 31 2HB LEU 31 6.767 0.650 -0.958 242 HG LEU 31 HG LEU 31 8.424 1.653 -2.527 243 HD11 LEU 31 1HD1 LEU 31 7.296 3.812 -2.687 244 HD12 LEU 31 2HD1 LEU 31 6.643 3.591 -1.062 245 HD13 LEU 31 3HD1 LEU 31 6.153 2.509 -2.368 246 HD21 LEU 31 3HD2 LEU 31 9.008 3.545 -0.273 247 HD22 LEU 31 1HD2 LEU 31 9.637 3.632 -1.918 248 HD23 LEU 31 2HD2 LEU 31 10.107 2.302 -0.861 249 H LYS 32 H LYS 32 4.933 1.634 0.809 250 HA LYS 32 HA LYS 32 4.680 -0.698 2.596 251 HB2 LYS 32 1HB LYS 32 3.315 1.961 2.653 252 HB3 LYS 32 2HB LYS 32 2.468 0.538 3.235 253 HG2 LYS 32 1HG LYS 32 3.789 0.312 5.063 254 HG3 LYS 32 2HG LYS 32 5.197 1.054 4.279 255 HD2 LYS 32 1HD LYS 32 4.066 3.242 4.399 256 HD3 LYS 32 2HD LYS 32 2.716 2.483 5.238 257 HE2 LYS 32 1HE LYS 32 4.238 1.813 7.045 258 HE3 LYS 32 2HE LYS 32 5.567 2.614 6.209 259 HZ1 LYS 32 3HZ LYS 32 4.330 4.710 6.402 260 HZ2 LYS 32 1HZ LYS 32 4.693 4.041 7.912 261 HZ3 LYS 32 2HZ LYS 32 3.129 3.917 7.288 262 H CYS 33 H CYS 33 3.116 -2.189 2.093 263 HA CYS 33 HA CYS 33 2.072 -2.034 -0.600 264 HB2 CYS 33 1HB CYS 33 1.974 -4.194 1.504 265 HB3 CYS 33 2HB CYS 33 1.292 -4.355 -0.108 266 HG CYS 33 HG CYS 33 3.698 -4.191 -1.446 267 H CYS 34 H CYS 34 0.180 -1.184 -1.032 268 HA CYS 34 HA CYS 34 -1.908 -1.241 1.047 269 HB2 CYS 34 1HB CYS 34 -1.652 0.777 -1.185 270 HB3 CYS 34 2HB CYS 34 -2.723 0.855 0.210 271 HG CYS 34 HG CYS 34 0.678 0.924 0.543 272 H ARG 35 H ARG 35 -3.719 -2.324 0.544 273 HA ARG 35 HA ARG 35 -4.096 -3.099 -2.279 274 HB2 ARG 35 1HB ARG 35 -5.137 -5.114 -1.568 275 HB3 ARG 35 2HB ARG 35 -3.687 -4.949 -0.594 276 HG2 ARG 35 1HG ARG 35 -5.202 -3.897 1.171 277 HG3 ARG 35 2HG ARG 35 -6.541 -4.531 0.217 278 HD2 ARG 35 1HD ARG 35 -5.485 -6.802 0.423 279 HD3 ARG 35 2HD ARG 35 -4.331 -6.092 1.539 280 HE ARG 35 HE ARG 35 -6.730 -5.376 2.577 281 HH11 ARG 35 1HH1 ARG 35 -5.309 -8.441 1.674 282 HH12 ARG 35 2HH1 ARG 35 -6.172 -9.336 2.880 283 HH21 ARG 35 1HH2 ARG 35 -7.836 -6.525 4.166 284 HH22 ARG 35 2HH2 ARG 35 -7.619 -8.249 4.296 285 H THR 36 H THR 36 -6.028 -2.763 -3.252 286 HA THR 36 HA THR 36 -7.790 -0.846 -2.015 287 HB THR 36 HB THR 36 -8.223 -2.182 -4.683 288 HG1 THR 36 HG1 THR 36 -6.417 -0.093 -3.964 289 HG21 THR 36 1HG2 THR 36 -9.276 -0.051 -5.251 290 HG22 THR 36 2HG2 THR 36 -8.877 0.590 -3.658 291 HG23 THR 36 3HG2 THR 36 -10.023 -0.741 -3.812 292 H ILE 37 H ILE 37 -9.434 -1.378 -0.798 293 HA ILE 37 HA ILE 37 -10.135 -4.020 -0.182 294 HB ILE 37 HB ILE 37 -11.691 -1.479 0.285 295 HG12 ILE 37 1HG1 ILE 37 -9.479 -1.266 1.210 296 HG13 ILE 37 2HG1 ILE 37 -10.609 -1.540 2.526 297 HG21 ILE 37 1HG2 ILE 37 -11.896 -4.169 1.608 298 HG22 ILE 37 2HG2 ILE 37 -13.112 -3.382 0.608 299 HG23 ILE 37 3HG2 ILE 37 -12.690 -2.704 2.180 300 HD11 ILE 37 3HD1 ILE 37 -8.563 -2.784 2.858 301 HD12 ILE 37 1HD1 ILE 37 -8.788 -3.599 1.312 302 HD13 ILE 37 2HD1 ILE 37 -9.925 -3.875 2.630 303 H GLN 38 H GLN 38 -11.634 -5.389 -0.949 304 HA GLN 38 HA GLN 38 -13.431 -4.518 -3.063 305 HB2 GLN 38 1HB GLN 38 -14.101 -6.920 -3.162 306 HB3 GLN 38 2HB GLN 38 -12.390 -6.662 -3.443 307 HG2 GLN 38 1HG GLN 38 -13.426 -7.403 -0.732 308 HG3 GLN 38 2HG GLN 38 -13.105 -8.622 -1.963 309 HE21 GLN 38 1HE2 GLN 38 -10.833 -7.196 -3.078 310 HE22 GLN 38 2HE2 GLN 38 -9.541 -7.392 -1.948 311 HA PRO 39 HA PRO 39 -16.563 -3.515 -0.103 312 HB2 PRO 39 1HB PRO 39 -18.470 -4.095 -2.292 313 HB3 PRO 39 2HB PRO 39 -18.242 -2.610 -1.365 314 HG2 PRO 39 1HG PRO 39 -17.434 -2.802 -3.908 315 HG3 PRO 39 2HG PRO 39 -16.512 -1.879 -2.708 316 HD2 PRO 39 1HD PRO 39 -15.970 -4.588 -3.843 317 HD3 PRO 39 2HD PRO 39 -14.835 -3.290 -3.421 318 H SER 40 H SER 40 -17.060 -4.935 1.420 319 HA SER 40 HA SER 40 -19.051 -6.860 1.222 320 HB2 SER 40 1HB SER 40 -17.178 -7.980 -0.163 321 HB3 SER 40 2HB SER 40 -16.340 -8.187 1.374 322 HG SER 40 HG SER 40 -18.904 -9.192 0.668 323 H GLY 41 H GLY 41 -19.122 -8.227 3.247 324 HA2 GLY 41 1HA GLY 41 -18.207 -6.605 5.482 325 HA3 GLY 41 2HA GLY 41 -19.339 -7.946 5.560 326 H SER 42 H SER 42 -16.780 -7.217 7.035 327 HA SER 42 HA SER 42 -14.993 -8.274 7.957 328 HB2 SER 42 1HB SER 42 -16.286 -10.789 6.867 329 HB3 SER 42 2HB SER 42 -15.079 -10.708 8.151 330 HG SER 42 HG SER 42 -17.604 -10.713 8.521 331 H ILE 43 H ILE 43 -13.775 -10.756 6.858 332 HA ILE 43 HA ILE 43 -12.367 -11.523 5.250 333 HB ILE 43 HB ILE 43 -13.455 -9.305 3.507 334 HG12 ILE 43 1HG1 ILE 43 -14.113 -12.261 3.568 335 HG13 ILE 43 2HG1 ILE 43 -15.142 -10.983 4.207 336 HG21 ILE 43 1HG2 ILE 43 -11.787 -11.713 2.780 337 HG22 ILE 43 2HG2 ILE 43 -11.245 -10.035 2.779 338 HG23 ILE 43 3HG2 ILE 43 -12.487 -10.561 1.643 339 HD11 ILE 43 3HD1 ILE 43 -15.376 -10.050 1.969 340 HD12 ILE 43 1HD1 ILE 43 -15.904 -11.731 2.028 341 HD13 ILE 43 2HD1 ILE 43 -14.337 -11.323 1.329 342 H ILE 44 H ILE 44 -12.434 -7.967 5.146 343 HA ILE 44 HA ILE 44 -9.525 -7.889 5.014 344 HB ILE 44 HB ILE 44 -9.773 -5.480 4.760 345 HG12 ILE 44 1HG1 ILE 44 -12.750 -5.946 5.085 346 HG13 ILE 44 2HG1 ILE 44 -11.710 -5.235 6.313 347 HG21 ILE 44 1HG2 ILE 44 -11.002 -5.457 2.643 348 HG22 ILE 44 2HG2 ILE 44 -11.738 -7.004 3.050 349 HG23 ILE 44 3HG2 ILE 44 -9.998 -6.897 2.782 350 HD11 ILE 44 3HD1 ILE 44 -12.920 -3.510 5.166 351 HD12 ILE 44 1HD1 ILE 44 -12.339 -4.089 3.608 352 HD13 ILE 44 2HD1 ILE 44 -11.208 -3.385 4.760 353 H ASP 45 H ASP 45 -8.436 -6.231 6.500 354 HA ASP 45 HA ASP 45 -9.601 -6.434 9.194 355 HB2 ASP 45 1HB ASP 45 -6.720 -6.785 8.361 356 HB3 ASP 45 2HB ASP 45 -7.206 -6.505 10.029 Start of MODEL 20 1 H PHE 1 1H PHE 1 10.809 -10.333 1.205 2 HA PHE 1 HA PHE 1 9.118 -12.018 -0.537 3 HB2 PHE 1 1HB PHE 1 10.563 -13.286 1.017 4 HB3 PHE 1 2HB PHE 1 9.897 -12.375 2.366 5 HD1 PHE 1 HD2 PHE 1 8.973 -14.697 -0.369 6 HD2 PHE 1 HD1 PHE 1 7.948 -13.084 3.434 7 HE1 PHE 1 HE2 PHE 1 7.157 -16.345 -0.161 8 HE2 PHE 1 HE1 PHE 1 6.132 -14.728 3.646 9 HZ PHE 1 HZ PHE 1 5.734 -16.361 1.848 10 H PHE 2 H PHE 2 9.286 -9.447 1.817 11 HA PHE 2 HA PHE 2 6.748 -9.504 2.916 12 HB2 PHE 2 1HB PHE 2 8.490 -7.169 2.150 13 HB3 PHE 2 2HB PHE 2 6.957 -6.965 2.984 14 HD1 PHE 2 HD2 PHE 2 6.720 -8.498 5.150 15 HD2 PHE 2 HD1 PHE 2 10.393 -7.232 3.416 16 HE1 PHE 2 HE2 PHE 2 7.848 -8.819 7.312 17 HE2 PHE 2 HE1 PHE 2 11.527 -7.549 5.576 18 HZ PHE 2 HZ PHE 2 10.254 -8.344 7.527 19 H ASP 3 H ASP 3 7.708 -7.621 0.029 20 HA ASP 3 HA ASP 3 4.902 -7.271 -0.564 21 HB2 ASP 3 1HB ASP 3 5.595 -5.742 -2.310 22 HB3 ASP 3 2HB ASP 3 6.349 -5.330 -0.779 23 H GLU 4 H GLU 4 7.075 -9.609 -1.196 24 HA GLU 4 HA GLU 4 6.195 -10.376 -3.798 25 HB2 GLU 4 1HB GLU 4 8.223 -11.332 -2.634 26 HB3 GLU 4 2HB GLU 4 7.127 -12.202 -1.568 27 HG2 GLU 4 1HG GLU 4 6.161 -13.323 -3.550 28 HG3 GLU 4 2HG GLU 4 7.374 -12.525 -4.549 29 H LYS 5 H LYS 5 5.206 -11.044 -0.482 30 HA LYS 5 HA LYS 5 2.863 -12.492 -1.126 31 HB2 LYS 5 1HB LYS 5 3.815 -12.595 1.110 32 HB3 LYS 5 2HB LYS 5 3.573 -10.869 1.321 33 HG2 LYS 5 1HG LYS 5 1.890 -12.121 2.531 34 HG3 LYS 5 2HG LYS 5 1.149 -11.194 1.225 35 HD2 LYS 5 1HD LYS 5 0.127 -13.315 1.145 36 HD3 LYS 5 2HD LYS 5 1.305 -13.312 -0.166 37 HE2 LYS 5 1HE LYS 5 1.438 -15.416 0.976 38 HE3 LYS 5 2HE LYS 5 2.895 -14.491 1.335 39 HZ1 LYS 5 3HZ LYS 5 0.530 -14.770 3.109 40 HZ2 LYS 5 1HZ LYS 5 1.910 -13.857 3.458 41 HZ3 LYS 5 2HZ LYS 5 2.020 -15.536 3.316 42 H CYS 6 H CYS 6 3.600 -9.060 -0.734 43 HA CYS 6 HA CYS 6 0.999 -8.041 -0.893 44 HB2 CYS 6 1HB CYS 6 3.047 -6.698 -0.380 45 HB3 CYS 6 2HB CYS 6 3.503 -6.815 -2.075 46 HG CYS 6 HG CYS 6 1.494 -5.256 -3.055 47 H ASN 7 H ASN 7 3.322 -8.792 -3.473 48 HA ASN 7 HA ASN 7 1.678 -8.101 -5.650 49 HB2 ASN 7 1HB ASN 7 4.146 -8.532 -5.750 50 HB3 ASN 7 2HB ASN 7 3.806 -10.248 -5.591 51 HD21 ASN 7 1HD2 ASN 7 3.638 -7.474 -7.666 52 HD22 ASN 7 2HD2 ASN 7 3.287 -8.332 -9.123 53 H LYS 8 H LYS 8 2.225 -11.157 -3.983 54 HA LYS 8 HA LYS 8 0.512 -12.811 -5.418 55 HB2 LYS 8 1HB LYS 8 2.041 -13.661 -3.728 56 HB3 LYS 8 2HB LYS 8 1.166 -12.812 -2.465 57 HG2 LYS 8 1HG LYS 8 0.601 -15.134 -2.380 58 HG3 LYS 8 2HG LYS 8 -0.807 -14.228 -2.935 59 HD2 LYS 8 1HD LYS 8 -0.298 -14.849 -5.244 60 HD3 LYS 8 2HD LYS 8 1.118 -15.744 -4.693 61 HE2 LYS 8 1HE LYS 8 -0.356 -17.198 -3.357 62 HE3 LYS 8 2HE LYS 8 -1.754 -16.328 -3.984 63 HZ1 LYS 8 3HZ LYS 8 0.176 -17.948 -5.557 64 HZ2 LYS 8 1HZ LYS 8 -1.066 -17.019 -6.230 65 HZ3 LYS 8 2HZ LYS 8 -1.439 -18.331 -5.232 66 H LEU 9 H LEU 9 -0.208 -10.497 -2.861 67 HA LEU 9 HA LEU 9 -3.019 -11.243 -2.850 68 HB2 LEU 9 1HB LEU 9 -1.478 -9.195 -1.264 69 HB3 LEU 9 2HB LEU 9 -3.187 -9.524 -1.064 70 HG LEU 9 HG LEU 9 -0.957 -11.500 -0.563 71 HD11 LEU 9 1HD1 LEU 9 -1.563 -11.255 1.786 72 HD12 LEU 9 2HD1 LEU 9 -2.741 -10.014 1.358 73 HD13 LEU 9 3HD1 LEU 9 -1.020 -9.723 1.101 74 HD21 LEU 9 3HD2 LEU 9 -3.937 -11.724 -0.152 75 HD22 LEU 9 1HD2 LEU 9 -2.740 -12.890 0.414 76 HD23 LEU 9 2HD2 LEU 9 -2.965 -12.626 -1.315 77 H LYS 10 H LYS 10 -1.177 -9.413 -4.800 78 HA LYS 10 HA LYS 10 -1.683 -8.014 -6.501 79 HB2 LYS 10 1HB LYS 10 -4.488 -8.606 -5.584 80 HB3 LYS 10 2HB LYS 10 -4.171 -7.463 -6.879 81 HG2 LYS 10 1HG LYS 10 -4.697 -9.537 -7.888 82 HG3 LYS 10 2HG LYS 10 -2.960 -9.298 -8.078 83 HD2 LYS 10 1HD LYS 10 -2.490 -10.834 -6.300 84 HD3 LYS 10 2HD LYS 10 -4.204 -10.964 -5.898 85 HE2 LYS 10 1HE LYS 10 -3.417 -12.908 -7.163 86 HE3 LYS 10 2HE LYS 10 -4.650 -12.011 -8.042 87 HZ1 LYS 10 3HZ LYS 10 -1.722 -11.922 -8.525 88 HZ2 LYS 10 1HZ LYS 10 -2.854 -10.946 -9.316 89 HZ3 LYS 10 2HZ LYS 10 -2.890 -12.621 -9.525 90 H GLY 11 H GLY 11 -0.922 -6.992 -3.967 91 HA2 GLY 11 1HA GLY 11 -2.380 -4.428 -3.902 92 HA3 GLY 11 2HA GLY 11 -1.392 -5.061 -2.592 93 H THR 12 H THR 12 -1.250 -2.466 -3.981 94 HA THR 12 HA THR 12 1.398 -2.697 -5.221 95 HB THR 12 HB THR 12 0.894 -0.251 -5.880 96 HG1 THR 12 HG1 THR 12 -1.703 -0.537 -6.143 97 HG21 THR 12 1HG2 THR 12 -0.679 -2.519 -7.099 98 HG22 THR 12 2HG2 THR 12 1.001 -2.120 -7.453 99 HG23 THR 12 3HG2 THR 12 -0.284 -0.993 -7.891 100 H CYS 13 H CYS 13 3.141 -1.804 -4.334 101 HA CYS 13 HA CYS 13 2.942 -0.777 -1.654 102 HB2 CYS 13 1HB CYS 13 5.412 -0.953 -3.389 103 HB3 CYS 13 2HB CYS 13 5.346 -0.818 -1.637 104 HG CYS 13 HG CYS 13 6.144 -3.417 -2.456 105 H LYS 14 H LYS 14 2.757 1.265 -1.104 106 HA LYS 14 HA LYS 14 3.865 3.348 -2.802 107 HB2 LYS 14 1HB LYS 14 1.748 4.644 -2.737 108 HB3 LYS 14 2HB LYS 14 1.628 3.166 -3.676 109 HG2 LYS 14 1HG LYS 14 0.532 2.072 -1.757 110 HG3 LYS 14 2HG LYS 14 0.593 3.604 -0.882 111 HD2 LYS 14 1HD LYS 14 -1.576 3.455 -1.816 112 HD3 LYS 14 2HD LYS 14 -0.686 4.617 -2.801 113 HE2 LYS 14 1HE LYS 14 -1.884 3.219 -4.299 114 HE3 LYS 14 2HE LYS 14 -0.196 2.723 -4.388 115 HZ1 LYS 14 3HZ LYS 14 -1.605 0.797 -4.285 116 HZ2 LYS 14 1HZ LYS 14 -2.362 1.364 -2.875 117 HZ3 LYS 14 2HZ LYS 14 -0.729 0.904 -2.844 118 H ASN 15 H ASN 15 3.537 5.550 -1.634 119 HA ASN 15 HA ASN 15 4.553 5.153 1.029 120 HB2 ASN 15 1HB ASN 15 4.172 7.554 -0.737 121 HB3 ASN 15 2HB ASN 15 4.663 7.720 0.941 122 HD21 ASN 15 1HD2 ASN 15 6.699 7.005 1.566 123 HD22 ASN 15 2HD2 ASN 15 7.945 6.655 0.419 124 H ASN 16 H ASN 16 1.726 6.694 -0.450 125 HA ASN 16 HA ASN 16 0.412 6.549 2.179 126 HB2 ASN 16 1HB ASN 16 -0.959 8.567 1.371 127 HB3 ASN 16 2HB ASN 16 0.684 8.863 1.909 128 HD21 ASN 16 1HD2 ASN 16 -0.263 7.536 -1.236 129 HD22 ASN 16 2HD2 ASN 16 0.314 8.882 -2.159 130 H CYS 17 H CYS 17 -1.637 5.732 2.231 131 HA CYS 17 HA CYS 17 -2.237 3.949 0.093 132 HB2 CYS 17 1HB CYS 17 -3.978 4.620 2.471 133 HB3 CYS 17 2HB CYS 17 -4.031 3.163 1.491 134 HG CYS 17 HG CYS 17 -1.292 2.526 2.299 135 H GLY 18 H GLY 18 -3.872 3.953 -1.367 136 HA2 GLY 18 1HA GLY 18 -4.974 6.574 -1.997 137 HA3 GLY 18 2HA GLY 18 -5.003 5.150 -3.026 138 H LYS 19 H LYS 19 -7.215 5.680 -3.438 139 HA LYS 19 HA LYS 19 -9.204 5.974 -1.537 140 HB2 LYS 19 1HB LYS 19 -10.796 5.609 -3.268 141 HB3 LYS 19 2HB LYS 19 -9.426 6.417 -4.005 142 HG2 LYS 19 1HG LYS 19 -9.921 3.449 -4.150 143 HG3 LYS 19 2HG LYS 19 -10.424 4.605 -5.381 144 HD2 LYS 19 1HD LYS 19 -7.565 4.242 -4.497 145 HD3 LYS 19 2HD LYS 19 -8.281 3.385 -5.860 146 HE2 LYS 19 1HE LYS 19 -8.068 6.383 -5.581 147 HE3 LYS 19 2HE LYS 19 -7.023 5.370 -6.574 148 HZ1 LYS 19 3HZ LYS 19 -8.731 6.385 -7.912 149 HZ2 LYS 19 1HZ LYS 19 -9.949 5.740 -6.930 150 HZ3 LYS 19 2HZ LYS 19 -8.980 4.713 -7.861 151 H ASN 20 H ASN 20 -10.011 4.690 -0.075 152 HA ASN 20 HA ASN 20 -10.671 2.849 1.082 153 HB2 ASN 20 1HB ASN 20 -11.205 1.926 -1.744 154 HB3 ASN 20 2HB ASN 20 -11.724 1.030 -0.321 155 HD21 ASN 20 1HD2 ASN 20 -13.399 1.802 0.909 156 HD22 ASN 20 2HD2 ASN 20 -14.428 3.090 0.391 157 H GLU 21 H GLU 21 -7.933 2.923 0.935 158 HA GLU 21 HA GLU 21 -7.222 0.132 0.343 159 HB2 GLU 21 1HB GLU 21 -5.538 2.627 0.398 160 HB3 GLU 21 2HB GLU 21 -4.825 1.021 0.408 161 HG2 GLU 21 1HG GLU 21 -6.343 0.683 -1.697 162 HG3 GLU 21 2HG GLU 21 -6.297 2.441 -1.754 163 H GLU 22 H GLU 22 -5.692 -0.913 1.717 164 HA GLU 22 HA GLU 22 -5.704 0.043 4.505 165 HB2 GLU 22 1HB GLU 22 -5.949 -2.250 5.262 166 HB3 GLU 22 2HB GLU 22 -7.270 -1.866 4.166 167 HG2 GLU 22 1HG GLU 22 -6.252 -3.096 2.392 168 HG3 GLU 22 2HG GLU 22 -4.773 -3.310 3.322 169 H LEU 23 H LEU 23 -3.886 -0.839 5.794 170 HA LEU 23 HA LEU 23 -1.476 -1.087 4.151 171 HB2 LEU 23 1HB LEU 23 -1.941 0.401 6.371 172 HB3 LEU 23 2HB LEU 23 -1.267 -1.045 7.098 173 HG LEU 23 HG LEU 23 0.791 -0.794 5.850 174 HD11 LEU 23 1HD1 LEU 23 0.934 1.425 4.499 175 HD12 LEU 23 2HD1 LEU 23 -0.814 1.230 4.370 176 HD13 LEU 23 3HD1 LEU 23 0.266 -0.031 3.764 177 HD21 LEU 23 3HD2 LEU 23 0.600 0.491 7.918 178 HD22 LEU 23 1HD2 LEU 23 -0.089 1.843 7.020 179 HD23 LEU 23 2HD2 LEU 23 1.576 1.344 6.721 180 H ILE 24 H ILE 24 -0.627 -3.028 3.781 181 HA ILE 24 HA ILE 24 -1.651 -5.258 5.415 182 HB ILE 24 HB ILE 24 -1.814 -6.619 3.535 183 HG12 ILE 24 1HG1 ILE 24 -0.623 -4.960 1.475 184 HG13 ILE 24 2HG1 ILE 24 0.547 -5.367 2.727 185 HG21 ILE 24 1HG2 ILE 24 -3.099 -5.368 1.943 186 HG22 ILE 24 2HG2 ILE 24 -2.350 -3.861 2.465 187 HG23 ILE 24 3HG2 ILE 24 -3.421 -4.741 3.558 188 HD11 ILE 24 3HD1 ILE 24 0.635 -7.002 0.977 189 HD12 ILE 24 1HD1 ILE 24 -1.098 -7.295 1.119 190 HD13 ILE 24 2HD1 ILE 24 -0.021 -7.735 2.441 191 H ALA 25 H ALA 25 1.222 -3.699 4.291 192 HA ALA 25 HA ALA 25 2.919 -5.322 5.876 193 HB1 ALA 25 3HB ALA 25 2.449 -6.965 4.089 194 HB2 ALA 25 1HB ALA 25 4.152 -6.519 4.182 195 HB3 ALA 25 2HB ALA 25 3.133 -5.843 2.912 196 H LEU 26 H LEU 26 5.193 -4.919 5.458 197 HA LEU 26 HA LEU 26 5.633 -2.166 4.571 198 HB2 LEU 26 1HB LEU 26 7.087 -4.027 6.425 199 HB3 LEU 26 2HB LEU 26 7.813 -2.530 5.861 200 HG LEU 26 HG LEU 26 5.270 -2.757 7.476 201 HD11 LEU 26 1HD1 LEU 26 7.251 -3.337 8.764 202 HD12 LEU 26 2HD1 LEU 26 6.594 -1.784 9.279 203 HD13 LEU 26 3HD1 LEU 26 8.031 -1.840 8.257 204 HD21 LEU 26 3HD2 LEU 26 5.206 -0.821 6.025 205 HD22 LEU 26 1HD2 LEU 26 6.826 -0.350 6.539 206 HD23 LEU 26 2HD2 LEU 26 5.490 -0.311 7.689 207 H CYS 27 H CYS 27 6.747 -1.816 2.759 208 HA CYS 27 HA CYS 27 7.930 -4.127 1.402 209 HB2 CYS 27 1HB CYS 27 6.248 -2.682 0.213 210 HB3 CYS 27 2HB CYS 27 7.378 -1.348 0.343 211 HG CYS 27 HG CYS 27 8.332 -4.218 -1.228 212 H GLN 28 H GLN 28 10.013 -3.860 0.337 213 HA GLN 28 HA GLN 28 11.979 -2.495 1.849 214 HB2 GLN 28 1HB GLN 28 12.257 -3.348 -1.026 215 HB3 GLN 28 2HB GLN 28 13.537 -3.139 0.152 216 HG2 GLN 28 1HG GLN 28 12.728 -5.051 1.408 217 HG3 GLN 28 2HG GLN 28 11.401 -5.254 0.266 218 HE21 GLN 28 1HE2 GLN 28 11.841 -5.995 -1.813 219 HE22 GLN 28 2HE2 GLN 28 13.316 -6.814 -2.196 220 H LYS 29 H LYS 29 13.421 -0.817 0.797 221 HA LYS 29 HA LYS 29 13.690 1.329 0.070 222 HB2 LYS 29 1HB LYS 29 11.195 0.899 -1.573 223 HB3 LYS 29 2HB LYS 29 12.396 2.158 -1.806 224 HG2 LYS 29 1HG LYS 29 14.018 0.571 -2.542 225 HG3 LYS 29 2HG LYS 29 12.976 -0.780 -2.087 226 HD2 LYS 29 1HD LYS 29 12.340 1.270 -4.209 227 HD3 LYS 29 2HD LYS 29 12.968 -0.348 -4.519 228 HE2 LYS 29 1HE LYS 29 10.331 0.317 -3.197 229 HE3 LYS 29 2HE LYS 29 10.548 -0.254 -4.850 230 HZ1 LYS 29 3HZ LYS 29 11.099 -1.751 -2.351 231 HZ2 LYS 29 1HZ LYS 29 11.558 -2.297 -3.887 232 HZ3 LYS 29 2HZ LYS 29 9.922 -2.092 -3.514 233 H SER 30 H SER 30 11.482 0.270 2.048 234 HA SER 30 HA SER 30 10.368 1.207 3.771 235 HB2 SER 30 1HB SER 30 11.160 3.881 2.605 236 HB3 SER 30 2HB SER 30 10.550 3.587 4.235 237 HG SER 30 HG SER 30 12.553 1.948 3.963 238 H LEU 31 H LEU 31 9.241 0.943 0.857 239 HA LEU 31 HA LEU 31 6.974 2.685 0.903 240 HB2 LEU 31 1HB LEU 31 7.699 0.238 -0.697 241 HB3 LEU 31 2HB LEU 31 6.106 0.951 -0.803 242 HG LEU 31 HG LEU 31 7.770 1.598 -2.595 243 HD11 LEU 31 1HD1 LEU 31 6.459 3.788 -0.991 244 HD12 LEU 31 2HD1 LEU 31 5.692 2.804 -2.237 245 HD13 LEU 31 3HD1 LEU 31 6.989 3.918 -2.668 246 HD21 LEU 31 3HD2 LEU 31 9.696 1.968 -1.113 247 HD22 LEU 31 1HD2 LEU 31 8.874 3.368 -0.432 248 HD23 LEU 31 2HD2 LEU 31 9.340 3.359 -2.133 249 H LYS 32 H LYS 32 4.726 1.870 1.018 250 HA LYS 32 HA LYS 32 4.457 -0.290 3.009 251 HB2 LYS 32 1HB LYS 32 3.275 2.393 2.827 252 HB3 LYS 32 2HB LYS 32 2.116 1.117 3.146 253 HG2 LYS 32 1HG LYS 32 2.865 2.087 5.211 254 HG3 LYS 32 2HG LYS 32 3.422 0.416 5.100 255 HD2 LYS 32 1HD LYS 32 5.217 1.766 5.959 256 HD3 LYS 32 2HD LYS 32 5.630 1.303 4.307 257 HE2 LYS 32 1HE LYS 32 4.938 3.473 3.490 258 HE3 LYS 32 2HE LYS 32 4.395 3.936 5.102 259 HZ1 LYS 32 3HZ LYS 32 6.700 3.733 5.863 260 HZ2 LYS 32 1HZ LYS 32 6.534 4.892 4.641 261 HZ3 LYS 32 2HZ LYS 32 7.195 3.375 4.283 262 H CYS 33 H CYS 33 3.167 -1.989 2.494 263 HA CYS 33 HA CYS 33 2.143 -2.140 -0.183 264 HB2 CYS 33 1HB CYS 33 1.897 -4.062 2.134 265 HB3 CYS 33 2HB CYS 33 1.479 -4.412 0.463 266 HG CYS 33 HG CYS 33 4.146 -4.029 -0.451 267 H CYS 34 H CYS 34 0.287 -1.257 -0.734 268 HA CYS 34 HA CYS 34 -1.890 -1.218 1.249 269 HB2 CYS 34 1HB CYS 34 -1.458 0.767 -0.990 270 HB3 CYS 34 2HB CYS 34 -2.642 0.870 0.308 271 HG CYS 34 HG CYS 34 0.734 0.966 0.860 272 H ARG 35 H ARG 35 -3.766 -2.130 0.660 273 HA ARG 35 HA ARG 35 -4.024 -3.032 -2.138 274 HB2 ARG 35 1HB ARG 35 -5.217 -4.251 0.359 275 HB3 ARG 35 2HB ARG 35 -5.447 -4.847 -1.277 276 HG2 ARG 35 1HG ARG 35 -3.101 -5.385 -1.450 277 HG3 ARG 35 2HG ARG 35 -2.802 -4.703 0.151 278 HD2 ARG 35 1HD ARG 35 -2.969 -7.011 0.539 279 HD3 ARG 35 2HD ARG 35 -4.553 -6.373 0.978 280 HE ARG 35 HE ARG 35 -4.364 -7.268 -1.753 281 HH11 ARG 35 1HH1 ARG 35 -5.105 -8.185 1.543 282 HH12 ARG 35 2HH1 ARG 35 -6.083 -9.539 1.075 283 HH21 ARG 35 1HH2 ARG 35 -5.637 -9.039 -2.370 284 HH22 ARG 35 2HH2 ARG 35 -6.390 -10.024 -1.156 285 H THR 36 H THR 36 -5.730 -2.367 -3.275 286 HA THR 36 HA THR 36 -7.586 -0.505 -2.126 287 HB THR 36 HB THR 36 -7.642 -1.717 -4.895 288 HG1 THR 36 HG1 THR 36 -5.839 -0.048 -3.752 289 HG21 THR 36 1HG2 THR 36 -8.821 0.359 -5.482 290 HG22 THR 36 2HG2 THR 36 -8.754 0.871 -3.797 291 HG23 THR 36 3HG2 THR 36 -9.696 -0.549 -4.248 292 H ILE 37 H ILE 37 -9.202 -1.155 -0.928 293 HA ILE 37 HA ILE 37 -10.274 -3.784 -0.952 294 HB ILE 37 HB ILE 37 -11.443 -1.268 0.236 295 HG12 ILE 37 1HG1 ILE 37 -9.166 -1.612 1.024 296 HG13 ILE 37 2HG1 ILE 37 -10.306 -1.971 2.309 297 HG21 ILE 37 1HG2 ILE 37 -12.591 -2.789 1.764 298 HG22 ILE 37 2HG2 ILE 37 -11.906 -4.168 0.905 299 HG23 ILE 37 3HG2 ILE 37 -13.040 -3.094 0.086 300 HD11 ILE 37 3HD1 ILE 37 -8.955 -4.020 0.578 301 HD12 ILE 37 1HD1 ILE 37 -10.015 -4.335 1.947 302 HD13 ILE 37 2HD1 ILE 37 -8.452 -3.565 2.207 303 H GLN 38 H GLN 38 -11.733 -4.610 -2.267 304 HA GLN 38 HA GLN 38 -13.323 -2.799 -3.944 305 HB2 GLN 38 1HB GLN 38 -12.759 -5.747 -4.304 306 HB3 GLN 38 2HB GLN 38 -13.624 -4.715 -5.433 307 HG2 GLN 38 1HG GLN 38 -11.581 -3.387 -5.751 308 HG3 GLN 38 2HG GLN 38 -10.725 -4.484 -4.668 309 HE21 GLN 38 1HE2 GLN 38 -10.275 -6.575 -5.343 310 HE22 GLN 38 2HE2 GLN 38 -10.339 -7.033 -7.011 311 HA PRO 39 HA PRO 39 -16.931 -3.981 -1.546 312 HB2 PRO 39 1HB PRO 39 -18.383 -3.018 -3.935 313 HB3 PRO 39 2HB PRO 39 -18.506 -2.481 -2.257 314 HG2 PRO 39 1HG PRO 39 -17.329 -0.968 -4.125 315 HG3 PRO 39 2HG PRO 39 -16.737 -1.015 -2.455 316 HD2 PRO 39 1HD PRO 39 -15.645 -2.358 -4.893 317 HD3 PRO 39 2HD PRO 39 -14.783 -1.590 -3.545 318 H SER 40 H SER 40 -17.774 -5.964 -1.460 319 HA SER 40 HA SER 40 -18.753 -7.937 -2.069 320 HB2 SER 40 1HB SER 40 -20.033 -6.566 -3.738 321 HB3 SER 40 2HB SER 40 -18.745 -6.887 -4.900 322 HG SER 40 HG SER 40 -20.326 -8.865 -3.606 323 H GLY 41 H GLY 41 -15.835 -6.865 -2.801 324 HA2 GLY 41 1HA GLY 41 -14.761 -8.902 -4.477 325 HA3 GLY 41 2HA GLY 41 -13.842 -7.805 -3.460 326 H SER 42 H SER 42 -12.752 -10.139 -3.523 327 HA SER 42 HA SER 42 -13.904 -12.086 -1.770 328 HB2 SER 42 1HB SER 42 -11.085 -11.918 -2.856 329 HB3 SER 42 2HB SER 42 -11.866 -13.347 -2.181 330 HG SER 42 HG SER 42 -13.509 -12.636 -3.996 331 H ILE 43 H ILE 43 -13.182 -12.730 0.254 332 HA ILE 43 HA ILE 43 -12.186 -12.671 2.292 333 HB ILE 43 HB ILE 43 -10.372 -10.564 1.104 334 HG12 ILE 43 1HG1 ILE 43 -10.121 -12.775 0.071 335 HG13 ILE 43 2HG1 ILE 43 -8.712 -12.382 1.046 336 HG21 ILE 43 1HG2 ILE 43 -10.143 -12.031 3.732 337 HG22 ILE 43 2HG2 ILE 43 -10.531 -10.323 3.526 338 HG23 ILE 43 3HG2 ILE 43 -8.944 -10.928 3.054 339 HD11 ILE 43 3HD1 ILE 43 -9.594 -13.803 2.849 340 HD12 ILE 43 1HD1 ILE 43 -9.318 -14.690 1.352 341 HD13 ILE 43 2HD1 ILE 43 -10.955 -14.232 1.814 342 H ILE 44 H ILE 44 -12.139 -9.287 1.168 343 HA ILE 44 HA ILE 44 -13.713 -8.611 3.551 344 HB ILE 44 HB ILE 44 -11.659 -7.391 3.513 345 HG12 ILE 44 1HG1 ILE 44 -13.769 -5.458 2.545 346 HG13 ILE 44 2HG1 ILE 44 -13.796 -6.193 4.143 347 HG21 ILE 44 1HG2 ILE 44 -11.134 -7.630 1.141 348 HG22 ILE 44 2HG2 ILE 44 -10.952 -5.961 1.680 349 HG23 ILE 44 3HG2 ILE 44 -12.369 -6.432 0.747 350 HD11 ILE 44 3HD1 ILE 44 -12.863 -3.986 4.283 351 HD12 ILE 44 1HD1 ILE 44 -11.672 -4.364 3.039 352 HD13 ILE 44 2HD1 ILE 44 -11.597 -5.170 4.607 353 H ASP 45 H ASP 45 -15.754 -8.884 3.014 354 HA ASP 45 HA ASP 45 -16.777 -8.538 0.378 355 HB2 ASP 45 1HB ASP 45 -18.230 -8.950 3.000 356 HB3 ASP 45 2HB ASP 45 -18.968 -9.052 1.408
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