NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
558185 | 2m1d | 18858 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 3.286 1.953 -1.047 2 H2 GLY 1 H2 GLY 1 1.992 2.930 -0.753 3 H3 GLY 1 H3 GLY 1 3.386 3.580 -1.307 4 HA2 GLY 1 HA2 GLY 1 1.588 1.778 -2.796 5 HA3 GLY 1 HA3 GLY 1 1.873 3.505 -3.121 6 H ILE 2 H ILE 2 2.283 1.126 -4.884 7 HA ILE 2 HA ILE 2 4.916 0.262 -4.956 8 HB ILE 2 HB ILE 2 2.973 -0.754 -6.080 9 HG12 ILE 2 HG12 ILE 2 4.148 -1.409 -8.194 10 HG13 ILE 2 HG13 ILE 2 5.440 -0.267 -7.782 11 HG21 ILE 2 HG21 ILE 2 2.273 -0.030 -8.275 12 HG22 ILE 2 HG22 ILE 2 2.061 1.322 -7.146 13 HG23 ILE 2 HG23 ILE 2 3.434 1.304 -8.275 14 HD11 ILE 2 HD11 ILE 2 5.746 -1.673 -5.672 15 HD12 ILE 2 HD12 ILE 2 4.596 -2.813 -6.449 16 HD13 ILE 2 HD13 ILE 2 6.127 -2.413 -7.245 17 H VAL 3 H VAL 3 3.648 3.204 -6.517 18 HA VAL 3 HA VAL 3 5.916 3.567 -8.230 19 HB VAL 3 HB VAL 3 3.859 5.636 -7.356 20 HG11 VAL 3 HG11 VAL 3 5.813 6.673 -8.480 21 HG12 VAL 3 HG12 VAL 3 5.670 5.504 -9.814 22 HG13 VAL 3 HG13 VAL 3 4.396 6.708 -9.523 23 HG21 VAL 3 HG21 VAL 3 2.705 3.714 -8.367 24 HG22 VAL 3 HG22 VAL 3 2.726 5.052 -9.508 25 HG23 VAL 3 HG23 VAL 3 3.859 3.697 -9.714 26 H GLU 4 H GLU 4 5.162 4.932 -5.001 27 HA GLU 4 HA GLU 4 7.422 6.736 -5.038 28 HB2 GLU 4 HB2 GLU 4 6.785 7.434 -2.943 29 HB3 GLU 4 HB3 GLU 4 5.268 6.920 -3.671 30 HG2 GLU 4 HG2 GLU 4 5.746 4.636 -2.475 31 HG3 GLU 4 HG3 GLU 4 6.922 5.543 -1.532 32 H GLN 5 H GLN 5 7.075 3.365 -4.162 33 HA GLN 5 HA GLN 5 9.729 3.199 -2.911 34 HB2 GLN 5 HB2 GLN 5 7.650 1.098 -3.667 35 HB3 GLN 5 HB3 GLN 5 9.181 0.769 -2.838 36 HG2 GLN 5 HG2 GLN 5 8.502 2.388 -1.030 37 HG3 GLN 5 HG3 GLN 5 6.909 2.506 -1.779 38 HE21 GLN 5 HE21 GLN 5 8.048 1.262 0.860 39 HE22 GLN 5 HE22 GLN 5 7.374 -0.370 0.846 40 H CYS 6 H CYS 6 8.252 2.132 -6.027 41 HA CYS 6 HA CYS 6 10.846 0.974 -6.824 42 HB2 CYS 6 HB2 CYS 6 8.080 0.870 -8.061 43 HB3 CYS 6 HB3 CYS 6 9.494 0.038 -8.683 44 H CYS 7 H CYS 7 8.818 3.735 -7.940 45 HA CYS 7 HA CYS 7 10.406 3.926 -10.410 46 HB2 CYS 7 HB2 CYS 7 7.952 4.300 -10.347 47 HB3 CYS 7 HB3 CYS 7 8.222 5.749 -9.377 48 H THR 8 H THR 8 9.841 6.050 -7.579 49 HA THR 8 HA THR 8 12.096 7.801 -8.362 50 HB THR 8 HB THR 8 9.819 8.608 -7.718 51 HG1 THR 8 HG1 THR 8 10.659 10.401 -6.671 52 HG21 THR 8 HG21 THR 8 9.266 8.937 -5.381 53 HG22 THR 8 HG22 THR 8 10.756 8.125 -4.858 54 HG23 THR 8 HG23 THR 8 9.484 7.215 -5.697 55 H SER 9 H SER 9 11.803 5.085 -6.482 56 HA SER 9 HA SER 9 14.458 5.491 -5.241 57 HB2 SER 9 HB2 SER 9 12.638 6.091 -3.568 58 HB3 SER 9 HB3 SER 9 12.135 4.394 -3.615 59 HG SER 9 HG SER 9 13.681 4.916 -1.930 60 H ILE 10 H ILE 10 14.734 3.117 -3.964 61 HA ILE 10 HA ILE 10 14.416 1.033 -6.096 62 HB ILE 10 HB ILE 10 16.443 1.246 -3.845 63 HG12 ILE 10 HG12 ILE 10 16.671 1.355 -6.886 64 HG13 ILE 10 HG13 ILE 10 16.886 2.701 -5.777 65 HG21 ILE 10 HG21 ILE 10 15.974 -1.015 -5.838 66 HG22 ILE 10 HG22 ILE 10 17.399 -0.877 -4.783 67 HG23 ILE 10 HG23 ILE 10 15.816 -1.109 -4.071 68 HD11 ILE 10 HD11 ILE 10 18.870 1.491 -4.778 69 HD12 ILE 10 HD12 ILE 10 18.735 0.325 -6.125 70 HD13 ILE 10 HD13 ILE 10 19.052 2.034 -6.460 71 H CYS 11 H CYS 11 13.353 -0.827 -5.684 72 HA CYS 11 HA CYS 11 12.182 -1.291 -2.989 73 HB2 CYS 11 HB2 CYS 11 10.073 -1.851 -3.951 74 HB3 CYS 11 HB3 CYS 11 10.541 -0.261 -4.512 75 H SER 12 H SER 12 11.360 -3.571 -2.759 76 HA SER 12 HA SER 12 13.098 -5.557 -4.145 77 HB2 SER 12 HB2 SER 12 13.652 -6.558 -2.010 78 HB3 SER 12 HB3 SER 12 14.057 -4.841 -1.931 79 HG SER 12 HG SER 12 12.946 -5.316 -0.079 80 H LEU 13 H LEU 13 12.437 -7.792 -3.707 81 HA LEU 13 HA LEU 13 9.878 -8.704 -4.146 82 HB2 LEU 13 HB2 LEU 13 11.832 -10.117 -4.181 83 HB3 LEU 13 HB3 LEU 13 12.238 -9.723 -2.513 84 HG LEU 13 HG LEU 13 10.306 -11.035 -1.693 85 HD11 LEU 13 HD11 LEU 13 9.122 -12.539 -3.209 86 HD12 LEU 13 HD12 LEU 13 9.977 -11.850 -4.612 87 HD13 LEU 13 HD13 LEU 13 8.838 -10.858 -3.669 88 HD21 LEU 13 HD21 LEU 13 11.251 -13.230 -2.218 89 HD22 LEU 13 HD22 LEU 13 12.533 -12.054 -1.913 90 HD23 LEU 13 HD23 LEU 13 12.151 -12.540 -3.583 91 H TYR 14 H TYR 14 11.284 -7.726 -1.017 92 HA TYR 14 HA TYR 14 9.042 -8.727 0.534 93 HB2 TYR 14 HB2 TYR 14 11.341 -6.949 1.414 94 HB3 TYR 14 HB3 TYR 14 10.289 -7.905 2.448 95 HD1 TYR 14 HD2 TYR 14 10.241 -10.498 2.032 96 HD2 TYR 14 HD1 TYR 14 13.374 -7.896 0.600 97 HE1 TYR 14 HE2 TYR 14 11.736 -12.464 1.729 98 HE2 TYR 14 HE1 TYR 14 14.870 -9.867 0.302 99 HH TYR 14 HH TYR 14 13.800 -13.206 1.067 100 H GLN 15 H GLN 15 9.553 -5.840 -1.180 101 HA GLN 15 HA GLN 15 7.352 -4.379 0.246 102 HB2 GLN 15 HB2 GLN 15 9.246 -3.491 -1.970 103 HB3 GLN 15 HB3 GLN 15 7.996 -2.506 -1.225 104 HG2 GLN 15 HG2 GLN 15 10.446 -3.646 0.174 105 HG3 GLN 15 HG3 GLN 15 10.234 -1.982 -0.338 106 HE21 GLN 15 HE21 GLN 15 10.824 -2.786 2.364 107 HE22 GLN 15 HE22 GLN 15 9.447 -2.285 3.335 108 H LEU 16 H LEU 16 8.312 -5.656 -2.945 109 HA LEU 16 HA LEU 16 6.036 -4.997 -4.428 110 HB2 LEU 16 HB2 LEU 16 8.085 -7.218 -4.561 111 HB3 LEU 16 HB3 LEU 16 6.833 -7.066 -5.789 112 HG LEU 16 HG LEU 16 8.704 -4.765 -5.139 113 HD11 LEU 16 HD11 LEU 16 10.049 -6.737 -5.871 114 HD12 LEU 16 HD12 LEU 16 10.065 -5.409 -7.045 115 HD13 LEU 16 HD13 LEU 16 9.051 -6.843 -7.333 116 HD21 LEU 16 HD21 LEU 16 6.550 -4.403 -6.448 117 HD22 LEU 16 HD22 LEU 16 7.204 -5.467 -7.696 118 HD23 LEU 16 HD23 LEU 16 8.036 -3.954 -7.312 119 H GLU 17 H GLU 17 6.479 -8.009 -2.435 120 HA GLU 17 HA GLU 17 4.016 -9.174 -3.243 121 HB2 GLU 17 HB2 GLU 17 5.673 -9.494 -0.722 122 HB3 GLU 17 HB3 GLU 17 4.137 -10.334 -0.959 123 HG2 GLU 17 HG2 GLU 17 5.145 -11.056 -3.269 124 HG3 GLU 17 HG3 GLU 17 6.692 -10.681 -2.519 125 H ASN 18 H ASN 18 4.376 -6.381 -1.198 126 HA ASN 18 HA ASN 18 1.834 -6.686 0.194 127 HB2 ASN 18 HB2 ASN 18 3.589 -4.229 -0.253 128 HB3 ASN 18 HB3 ASN 18 2.190 -4.309 0.821 129 HD21 ASN 18 HD21 ASN 18 5.494 -5.140 0.380 130 HD22 ASN 18 HD22 ASN 18 5.776 -5.870 1.963 131 H TYR 19 H TYR 19 2.590 -5.916 -3.045 132 HA TYR 19 HA TYR 19 -0.079 -4.654 -3.484 133 HB2 TYR 19 HB2 TYR 19 2.271 -4.695 -5.373 134 HB3 TYR 19 HB3 TYR 19 0.833 -3.704 -5.514 135 HD1 TYR 19 HD1 TYR 19 0.338 -2.200 -3.317 136 HD2 TYR 19 HD2 TYR 19 4.173 -3.681 -4.587 137 HE1 TYR 19 HE1 TYR 19 1.470 -0.468 -1.921 138 HE2 TYR 19 HE2 TYR 19 5.319 -1.949 -3.246 139 HH TYR 19 HH TYR 19 5.020 -0.255 -1.686 140 H CYS 20 H CYS 20 1.100 -7.750 -3.481 141 HA CYS 20 HA CYS 20 -0.162 -8.625 -5.980 142 HB2 CYS 20 HB2 CYS 20 0.814 -10.284 -3.653 143 HB3 CYS 20 HB3 CYS 20 0.274 -10.875 -5.230 144 H ASN 21 H ASN 21 -1.926 -10.031 -6.098 145 HA ASN 21 HA ASN 21 -4.334 -9.253 -4.758 146 HB2 ASN 21 HB2 ASN 21 -4.206 -9.995 -7.101 147 HB3 ASN 21 HB3 ASN 21 -3.518 -11.534 -6.587 148 HD21 ASN 21 HD22 ASN 21 -5.061 -12.671 -7.723 149 HD22 ASN 21 HD21 ASN 21 -6.735 -12.776 -7.163 150 H1 PHE 1 H1 PHE 1 17.281 -10.849 -4.445 151 H2 PHE 1 H2 PHE 1 17.802 -11.543 -5.829 152 H3 PHE 1 H3 PHE 1 16.463 -12.123 -5.074 153 HA PHE 1 HA PHE 1 15.848 -10.857 -7.010 154 HB2 PHE 1 HB2 PHE 1 14.371 -10.906 -4.964 155 HB3 PHE 1 HB3 PHE 1 15.085 -9.380 -4.452 156 HD1 PHE 1 HD1 PHE 1 13.171 -11.034 -7.233 157 HD2 PHE 1 HD2 PHE 1 14.251 -7.306 -5.335 158 HE1 PHE 1 HE1 PHE 1 11.582 -9.823 -8.697 159 HE2 PHE 1 HE2 PHE 1 12.653 -6.101 -6.798 160 HZ PHE 1 HZ PHE 1 11.321 -7.358 -8.482 161 H VAL 2 H VAL 2 15.588 -8.595 -7.918 162 HA VAL 2 HA VAL 2 18.214 -7.390 -8.149 163 HB VAL 2 HB VAL 2 17.160 -5.822 -9.718 164 HG11 VAL 2 HG11 VAL 2 16.595 -7.438 -11.433 165 HG12 VAL 2 HG12 VAL 2 17.966 -8.029 -10.480 166 HG13 VAL 2 HG13 VAL 2 16.344 -8.709 -10.225 167 HG21 VAL 2 HG21 VAL 2 14.909 -5.604 -8.699 168 HG22 VAL 2 HG22 VAL 2 14.842 -6.040 -10.411 169 HG23 VAL 2 HG23 VAL 2 14.541 -7.278 -9.176 170 H ASN 3 H ASN 3 18.788 -5.173 -7.863 171 HA ASN 3 HA ASN 3 17.298 -3.621 -5.820 172 HB2 ASN 3 HB2 ASN 3 19.107 -4.906 -4.756 173 HB3 ASN 3 HB3 ASN 3 20.274 -4.310 -5.937 174 HD21 ASN 3 HD21 ASN 3 20.566 -1.906 -6.009 175 HD22 ASN 3 HD22 ASN 3 20.487 -1.061 -4.469 176 H GLN 4 H GLN 4 16.409 -2.515 -7.633 177 HA GLN 4 HA GLN 4 18.108 -0.480 -8.930 178 HB2 GLN 4 HB2 GLN 4 18.120 -2.757 -10.245 179 HB3 GLN 4 HB3 GLN 4 16.429 -2.396 -10.594 180 HG2 GLN 4 HG2 GLN 4 17.385 -0.128 -11.572 181 HG3 GLN 4 HG3 GLN 4 18.941 -0.941 -11.490 182 HE21 GLN 4 HE21 GLN 4 15.658 -1.032 -12.924 183 HE22 GLN 4 HE22 GLN 4 16.119 -2.063 -14.274 184 H HIS 5 H HIS 5 16.765 1.113 -10.129 185 HA HIS 5 HA HIS 5 14.068 1.559 -9.073 186 HB2 HIS 5 HB2 HIS 5 15.693 2.901 -11.272 187 HB3 HIS 5 HB3 HIS 5 14.020 3.307 -10.917 188 HD1 HIS 5 HD1 HIS 5 13.857 5.412 -9.492 189 HD2 HIS 5 HD2 HIS 5 17.207 3.021 -8.638 190 HE1 HIS 5 HE1 HIS 5 15.218 6.675 -7.728 191 H LEU 6 H LEU 6 12.194 1.199 -10.101 192 HA LEU 6 HA LEU 6 12.044 -0.197 -12.730 193 HB2 LEU 6 HB2 LEU 6 10.745 -1.144 -10.138 194 HB3 LEU 6 HB3 LEU 6 10.437 -1.829 -11.730 195 HG LEU 6 HG LEU 6 13.160 -1.882 -10.387 196 HD11 LEU 6 HD11 LEU 6 12.643 -4.242 -9.835 197 HD12 LEU 6 HD12 LEU 6 10.977 -3.966 -10.387 198 HD13 LEU 6 HD13 LEU 6 11.606 -3.086 -8.986 199 HD21 LEU 6 HD21 LEU 6 13.645 -3.692 -11.973 200 HD22 LEU 6 HD22 LEU 6 13.212 -2.222 -12.844 201 HD23 LEU 6 HD23 LEU 6 12.021 -3.538 -12.676 202 H CYS 7 H CYS 7 10.772 1.157 -13.895 203 HA CYS 7 HA CYS 7 8.264 2.188 -12.677 204 HB2 CYS 7 HB2 CYS 7 10.233 3.854 -12.652 205 HB3 CYS 7 HB3 CYS 7 9.990 3.974 -14.391 206 H GLY 8 H GLY 8 6.581 2.675 -14.167 207 HA2 GLY 8 HA2 GLY 8 5.229 2.197 -15.983 208 HA3 GLY 8 HA3 GLY 8 6.678 2.334 -16.982 209 H SER 9 H SER 9 6.937 0.546 -18.226 210 HA SER 9 HA SER 9 5.658 -1.937 -17.858 211 HB2 SER 9 HB2 SER 9 8.227 -1.383 -19.383 212 HB3 SER 9 HB3 SER 9 7.123 -2.758 -19.607 213 HG SER 9 HG SER 9 6.738 -1.076 -21.141 214 H HIS 10 H HIS 10 8.818 -0.843 -16.630 215 HA HIS 10 HA HIS 10 9.808 -3.488 -15.965 216 HB2 HIS 10 HB2 HIS 10 10.574 -0.692 -15.014 217 HB3 HIS 10 HB3 HIS 10 11.393 -2.154 -14.507 218 HD1 HIS 10 HD1 HIS 10 13.216 -3.114 -16.118 219 HD2 HIS 10 HD2 HIS 10 10.834 -0.044 -17.727 220 HE1 HIS 10 HE1 HIS 10 14.324 -2.435 -18.289 221 H LEU 11 H LEU 11 7.970 -1.008 -14.246 222 HA LEU 11 HA LEU 11 8.115 -2.134 -11.602 223 HB2 LEU 11 HB2 LEU 11 7.632 0.169 -12.037 224 HB3 LEU 11 HB3 LEU 11 6.210 -0.177 -12.980 225 HG LEU 11 HG LEU 11 6.311 -1.001 -10.075 226 HD11 LEU 11 HD11 LEU 11 5.599 1.765 -11.179 227 HD12 LEU 11 HD12 LEU 11 7.016 1.389 -10.185 228 HD13 LEU 11 HD13 LEU 11 5.397 1.245 -9.499 229 HD21 LEU 11 HD21 LEU 11 3.848 -0.396 -10.261 230 HD22 LEU 11 HD22 LEU 11 4.323 -1.754 -11.276 231 HD23 LEU 11 HD23 LEU 11 4.087 -0.150 -11.993 232 H VAL 12 H VAL 12 5.625 -2.376 -14.227 233 HA VAL 12 HA VAL 12 3.980 -4.149 -12.618 234 HB VAL 12 HB VAL 12 2.638 -4.487 -14.620 235 HG11 VAL 12 HG11 VAL 12 2.226 -2.600 -13.065 236 HG12 VAL 12 HG12 VAL 12 3.256 -1.556 -14.072 237 HG13 VAL 12 HG13 VAL 12 1.746 -2.210 -14.725 238 HG21 VAL 12 HG21 VAL 12 4.521 -2.566 -16.024 239 HG22 VAL 12 HG22 VAL 12 4.304 -4.286 -16.422 240 HG23 VAL 12 HG23 VAL 12 2.968 -3.154 -16.640 241 H GLU 13 H GLU 13 6.414 -4.747 -15.156 242 HA GLU 13 HA GLU 13 5.876 -7.566 -15.366 243 HB2 GLU 13 HB2 GLU 13 7.098 -6.244 -17.053 244 HB3 GLU 13 HB3 GLU 13 8.448 -6.031 -15.917 245 HG2 GLU 13 HG2 GLU 13 8.845 -8.458 -15.892 246 HG3 GLU 13 HG3 GLU 13 7.417 -8.734 -16.897 247 H ALA 14 H ALA 14 8.189 -5.736 -13.299 248 HA ALA 14 HA ALA 14 9.274 -8.063 -11.999 249 HB1 ALA 14 HB1 ALA 14 9.066 -5.160 -11.135 250 HB2 ALA 14 HB2 ALA 14 10.108 -6.388 -10.379 251 HB3 ALA 14 HB3 ALA 14 10.401 -5.881 -12.066 252 H LEU 15 H LEU 15 6.554 -5.840 -11.121 253 HA LEU 15 HA LEU 15 5.959 -7.117 -8.637 254 HB2 LEU 15 HB2 LEU 15 5.258 -4.863 -9.129 255 HB3 LEU 15 HB3 LEU 15 4.364 -5.389 -10.562 256 HG LEU 15 HG LEU 15 2.747 -6.528 -9.223 257 HD11 LEU 15 HD11 LEU 15 4.146 -7.200 -7.280 258 HD12 LEU 15 HD12 LEU 15 2.680 -6.370 -6.784 259 HD13 LEU 15 HD13 LEU 15 4.233 -5.496 -6.772 260 HD21 LEU 15 HD21 LEU 15 3.293 -3.695 -8.243 261 HD22 LEU 15 HD22 LEU 15 1.737 -4.531 -8.118 262 HD23 LEU 15 HD23 LEU 15 2.407 -4.138 -9.710 263 H TYR 16 H TYR 16 4.670 -7.714 -11.962 264 HA TYR 16 HA TYR 16 2.952 -9.895 -11.196 265 HB2 TYR 16 HB2 TYR 16 2.914 -8.543 -13.332 266 HB3 TYR 16 HB3 TYR 16 4.338 -9.417 -13.862 267 HD1 TYR 16 HD1 TYR 16 0.721 -9.599 -13.090 268 HD2 TYR 16 HD2 TYR 16 4.125 -11.817 -14.539 269 HE1 TYR 16 HE1 TYR 16 -0.794 -11.412 -13.876 270 HE2 TYR 16 HE2 TYR 16 2.606 -13.622 -15.338 271 HH TYR 16 HH TYR 16 0.432 -14.327 -15.547 272 H LEU 17 H LEU 17 6.414 -9.869 -12.170 273 HA LEU 17 HA LEU 17 6.770 -12.707 -12.108 274 HB2 LEU 17 HB2 LEU 17 8.291 -11.106 -13.192 275 HB3 LEU 17 HB3 LEU 17 8.704 -10.414 -11.626 276 HG LEU 17 HG LEU 17 9.766 -12.552 -10.943 277 HD11 LEU 17 HD11 LEU 17 10.229 -14.283 -12.665 278 HD12 LEU 17 HD12 LEU 17 9.159 -13.440 -13.804 279 HD13 LEU 17 HD13 LEU 17 8.501 -14.161 -12.316 280 HD21 LEU 17 HD21 LEU 17 10.751 -11.454 -13.605 281 HD22 LEU 17 HD22 LEU 17 11.710 -12.384 -12.426 282 HD23 LEU 17 HD23 LEU 17 11.096 -10.777 -11.997 283 H VAL 18 H VAL 18 6.864 -10.268 -9.516 284 HA VAL 18 HA VAL 18 7.729 -12.167 -7.455 285 HB VAL 18 HB VAL 18 6.772 -9.300 -7.442 286 HG11 VAL 18 HG11 VAL 18 7.103 -11.119 -5.045 287 HG12 VAL 18 HG12 VAL 18 7.257 -9.359 -4.935 288 HG13 VAL 18 HG13 VAL 18 5.731 -10.074 -5.458 289 HG21 VAL 18 HG21 VAL 18 9.324 -10.722 -6.571 290 HG22 VAL 18 HG22 VAL 18 9.109 -9.735 -8.026 291 HG23 VAL 18 HG23 VAL 18 9.032 -8.982 -6.428 292 H CYS 19 H CYS 19 4.576 -10.802 -8.478 293 HA CYS 19 HA CYS 19 3.066 -12.341 -6.569 294 HB2 CYS 19 HB2 CYS 19 2.212 -11.103 -9.201 295 HB3 CYS 19 HB3 CYS 19 1.139 -11.665 -7.921 296 H GLY 20 H GLY 20 4.477 -13.202 -9.684 297 HA2 GLY 20 HA2 GLY 20 4.673 -15.205 -10.723 298 HA3 GLY 20 HA3 GLY 20 4.434 -15.953 -9.131 299 H GLU 21 H GLU 21 2.411 -14.195 -11.468 300 HA GLU 21 HA GLU 21 0.391 -14.499 -12.382 301 HB2 GLU 21 HB2 GLU 21 0.622 -17.472 -11.932 302 HB3 GLU 21 HB3 GLU 21 -0.416 -16.629 -13.070 303 HG2 GLU 21 HG2 GLU 21 1.638 -15.748 -14.236 304 HG3 GLU 21 HG3 GLU 21 2.625 -16.758 -13.178 305 H ARG 22 H ARG 22 0.685 -14.664 -9.129 306 HA ARG 22 HA ARG 22 -2.065 -15.334 -8.398 307 HB2 ARG 22 HB2 ARG 22 0.011 -13.552 -7.051 308 HB3 ARG 22 HB3 ARG 22 -1.581 -13.866 -6.388 309 HG2 ARG 22 HG2 ARG 22 -1.165 -16.220 -6.177 310 HG3 ARG 22 HG3 ARG 22 0.397 -16.101 -6.980 311 HD2 ARG 22 HD2 ARG 22 -0.260 -14.624 -4.393 312 HD3 ARG 22 HD3 ARG 22 0.430 -16.260 -4.433 313 HE ARG 22 HE ARG 22 2.102 -14.760 -6.055 314 HH11 ARG 22 HH21 ARG 22 1.288 -14.557 -2.609 315 HH12 ARG 22 HH22 ARG 22 2.895 -13.907 -2.251 316 HH21 ARG 22 HH11 ARG 22 4.158 -13.951 -5.333 317 HH22 ARG 22 HH12 ARG 22 4.300 -13.617 -3.614 318 H GLY 23 H GLY 23 -0.618 -12.581 -9.894 319 HA2 GLY 23 HA2 GLY 23 -1.675 -10.742 -10.935 320 HA3 GLY 23 HA3 GLY 23 -3.167 -11.064 -10.060 321 H PHE 24 H PHE 24 -2.290 -8.523 -10.199 322 HA PHE 24 HA PHE 24 -1.498 -7.845 -7.430 323 HB2 PHE 24 HB2 PHE 24 0.192 -6.319 -8.127 324 HB3 PHE 24 HB3 PHE 24 0.544 -7.874 -8.827 325 HD1 PHE 24 HD1 PHE 24 -0.650 -4.427 -9.572 326 HD2 PHE 24 HD2 PHE 24 0.693 -8.177 -11.208 327 HE1 PHE 24 HE1 PHE 24 -0.399 -3.364 -11.799 328 HE2 PHE 24 HE2 PHE 24 0.943 -7.110 -13.442 329 HZ PHE 24 HZ PHE 24 0.377 -4.704 -13.738 330 H PHE 25 H PHE 25 -1.784 -5.686 -6.824 331 HA PHE 25 HA PHE 25 -3.470 -3.883 -8.421 332 HB2 PHE 25 HB2 PHE 25 -4.961 -5.304 -6.938 333 HB3 PHE 25 HB3 PHE 25 -4.157 -4.622 -5.548 334 HD1 PHE 25 HD1 PHE 25 -4.425 -1.856 -7.810 335 HD2 PHE 25 HD2 PHE 25 -6.845 -4.459 -5.349 336 HE1 PHE 25 HE1 PHE 25 -6.196 -0.164 -7.759 337 HE2 PHE 25 HE2 PHE 25 -8.628 -2.736 -5.308 338 HZ PHE 25 HZ PHE 25 -8.320 -0.592 -6.528 339 H TYR 26 H TYR 26 -2.102 -2.257 -8.564 340 HA TYR 26 HA TYR 26 0.305 -1.876 -7.342 341 HB2 TYR 26 HB2 TYR 26 -0.051 0.557 -8.300 342 HB3 TYR 26 HB3 TYR 26 0.056 -0.840 -9.353 343 HD1 TYR 26 HD2 TYR 26 -2.335 1.578 -7.803 344 HD2 TYR 26 HD1 TYR 26 -1.776 -1.541 -10.733 345 HE1 TYR 26 HE2 TYR 26 -4.562 2.099 -8.776 346 HE2 TYR 26 HE1 TYR 26 -4.013 -1.023 -11.704 347 HH TYR 26 HH TYR 26 -6.116 1.570 -10.387 348 H THR 27 H THR 27 -2.676 -0.556 -5.981 349 HA THR 27 HA THR 27 -1.047 0.372 -3.637 350 HB THR 27 HB THR 27 -2.736 2.213 -3.334 351 HG1 THR 27 HG1 THR 27 -3.922 2.777 -5.186 352 HG21 THR 27 HG21 THR 27 -0.488 2.613 -4.305 353 HG22 THR 27 HG22 THR 27 -1.720 3.706 -4.974 354 HG23 THR 27 HG23 THR 27 -1.142 2.327 -5.929 355 H LYS 28 H LYS 28 -3.502 -1.663 -4.623 356 HA LYS 28 HA LYS 28 -5.297 -2.687 -3.620 357 HB2 LYS 28 HB2 LYS 28 -3.012 -3.800 -3.202 358 HB3 LYS 28 HB3 LYS 28 -3.211 -3.314 -1.518 359 HG2 LYS 28 HG2 LYS 28 -5.400 -4.581 -1.471 360 HG3 LYS 28 HG3 LYS 28 -5.147 -5.018 -3.171 361 HD2 LYS 28 HD2 LYS 28 -2.996 -6.150 -2.499 362 HD3 LYS 28 HD3 LYS 28 -3.399 -5.816 -0.797 363 HE2 LYS 28 HE2 LYS 28 -5.537 -7.095 -1.085 364 HE3 LYS 28 HE3 LYS 28 -5.105 -7.398 -2.773 365 HZ1 LYS 28 HZ1 LYS 28 -3.697 -8.455 -0.387 366 HZ2 LYS 28 HZ2 LYS 28 -3.049 -8.485 -1.900 367 HZ3 LYS 28 HZ3 LYS 28 -4.403 -9.304 -1.623 368 HA PRO 29 HA PRO 29 -6.458 0.439 -0.288 369 HB2 PRO 29 HB2 PRO 29 -8.662 1.531 -1.504 370 HB3 PRO 29 HB3 PRO 29 -7.000 2.128 -1.776 371 HG2 PRO 29 HG2 PRO 29 -8.544 0.146 -3.493 372 HG3 PRO 29 HG3 PRO 29 -7.689 1.637 -4.016 373 HD2 PRO 29 HD2 PRO 29 -6.476 -0.768 -4.181 374 HD3 PRO 29 HD3 PRO 29 -5.563 0.664 -3.630 375 H THR 30 H THR 30 -8.165 0.198 1.159 376 HA THR 30 HA THR 30 -9.632 -2.357 1.082 377 HB THR 30 HB THR 30 -10.226 -1.721 3.445 378 HG1 THR 30 HG1 THR 30 -9.816 0.528 3.165 379 HG21 THR 30 HG21 THR 30 -7.257 -1.875 2.769 380 HG22 THR 30 HG22 THR 30 -8.367 -3.255 2.901 381 HG23 THR 30 HG23 THR 30 -8.002 -2.271 4.331 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 2.237 4.962 -2.302 2 H2 GLY 1 H2 GLY 1 2.172 3.602 -1.379 3 H3 GLY 1 H3 GLY 1 0.782 4.339 -1.859 4 HA2 GLY 1 HA2 GLY 1 1.064 2.418 -3.197 5 HA3 GLY 1 HA3 GLY 1 1.307 3.875 -4.181 6 H ILE 2 H ILE 2 2.303 1.864 -5.381 7 HA ILE 2 HA ILE 2 5.002 1.156 -4.493 8 HB ILE 2 HB ILE 2 3.592 -0.595 -5.311 9 HG12 ILE 2 HG12 ILE 2 5.966 -0.070 -7.143 10 HG13 ILE 2 HG13 ILE 2 6.058 -0.680 -5.486 11 HG21 ILE 2 HG21 ILE 2 2.221 0.608 -6.921 12 HG22 ILE 2 HG22 ILE 2 3.612 0.845 -7.992 13 HG23 ILE 2 HG23 ILE 2 2.965 -0.789 -7.680 14 HD11 ILE 2 HD11 ILE 2 4.814 -2.691 -6.225 15 HD12 ILE 2 HD12 ILE 2 4.853 -2.054 -7.895 16 HD13 ILE 2 HD13 ILE 2 6.365 -2.410 -7.056 17 H VAL 3 H VAL 3 3.668 3.454 -6.818 18 HA VAL 3 HA VAL 3 6.081 3.832 -8.362 19 HB VAL 3 HB VAL 3 3.805 5.726 -7.656 20 HG11 VAL 3 HG11 VAL 3 4.545 7.106 -9.563 21 HG12 VAL 3 HG12 VAL 3 5.748 7.106 -8.278 22 HG13 VAL 3 HG13 VAL 3 6.005 6.106 -9.729 23 HG21 VAL 3 HG21 VAL 3 4.460 4.131 -10.180 24 HG22 VAL 3 HG22 VAL 3 3.153 3.772 -9.037 25 HG23 VAL 3 HG23 VAL 3 3.098 5.257 -9.993 26 H GLU 4 H GLU 4 5.001 5.117 -5.244 27 HA GLU 4 HA GLU 4 7.392 6.641 -4.712 28 HB2 GLU 4 HB2 GLU 4 5.467 5.597 -2.624 29 HB3 GLU 4 HB3 GLU 4 6.506 7.010 -2.562 30 HG2 GLU 4 HG2 GLU 4 4.592 8.113 -3.010 31 HG3 GLU 4 HG3 GLU 4 5.004 7.760 -4.687 32 H GLN 5 H GLN 5 6.995 3.295 -4.799 33 HA GLN 5 HA GLN 5 9.068 2.735 -2.725 34 HB2 GLN 5 HB2 GLN 5 6.911 1.510 -2.557 35 HB3 GLN 5 HB3 GLN 5 7.197 0.799 -4.153 36 HG2 GLN 5 HG2 GLN 5 7.800 -0.764 -2.396 37 HG3 GLN 5 HG3 GLN 5 9.183 -0.340 -3.381 38 HE21 GLN 5 HE21 GLN 5 10.909 1.028 -2.420 39 HE22 GLN 5 HE22 GLN 5 11.020 1.090 -0.663 40 H CYS 6 H CYS 6 8.263 1.938 -6.123 41 HA CYS 6 HA CYS 6 10.999 0.834 -6.520 42 HB2 CYS 6 HB2 CYS 6 8.337 0.447 -7.931 43 HB3 CYS 6 HB3 CYS 6 9.854 -0.214 -8.519 44 H CYS 7 H CYS 7 8.920 3.449 -7.804 45 HA CYS 7 HA CYS 7 10.717 3.698 -10.151 46 HB2 CYS 7 HB2 CYS 7 8.324 3.743 -10.488 47 HB3 CYS 7 HB3 CYS 7 8.180 5.167 -9.456 48 H THR 8 H THR 8 9.680 5.751 -7.373 49 HA THR 8 HA THR 8 11.753 7.729 -7.965 50 HB THR 8 HB THR 8 9.440 8.150 -6.991 51 HG1 THR 8 HG1 THR 8 10.229 9.936 -5.885 52 HG21 THR 8 HG21 THR 8 9.682 6.521 -5.072 53 HG22 THR 8 HG22 THR 8 9.179 8.165 -4.605 54 HG23 THR 8 HG23 THR 8 10.852 7.633 -4.339 55 H SER 9 H SER 9 11.791 4.790 -6.244 56 HA SER 9 HA SER 9 14.481 5.284 -5.075 57 HB2 SER 9 HB2 SER 9 12.044 4.235 -3.577 58 HB3 SER 9 HB3 SER 9 13.712 4.083 -3.007 59 HG SER 9 HG SER 9 12.686 5.923 -2.109 60 H ILE 10 H ILE 10 15.529 3.172 -4.429 61 HA ILE 10 HA ILE 10 14.963 0.984 -6.282 62 HB ILE 10 HB ILE 10 16.848 1.176 -3.902 63 HG12 ILE 10 HG12 ILE 10 17.266 1.306 -6.911 64 HG13 ILE 10 HG13 ILE 10 17.447 2.629 -5.774 65 HG21 ILE 10 HG21 ILE 10 16.264 -1.155 -4.092 66 HG22 ILE 10 HG22 ILE 10 16.454 -1.114 -5.851 67 HG23 ILE 10 HG23 ILE 10 17.863 -0.957 -4.767 68 HD11 ILE 10 HD11 ILE 10 19.634 1.902 -6.360 69 HD12 ILE 10 HD12 ILE 10 19.352 1.357 -4.692 70 HD13 ILE 10 HD13 ILE 10 19.256 0.208 -6.044 71 H CYS 11 H CYS 11 14.006 -0.986 -5.886 72 HA CYS 11 HA CYS 11 12.901 -1.539 -3.192 73 HB2 CYS 11 HB2 CYS 11 10.762 -2.099 -3.997 74 HB3 CYS 11 HB3 CYS 11 11.157 -0.513 -4.640 75 H SER 12 H SER 12 12.002 -3.856 -3.157 76 HA SER 12 HA SER 12 13.695 -5.783 -4.657 77 HB2 SER 12 HB2 SER 12 14.286 -6.922 -2.592 78 HB3 SER 12 HB3 SER 12 14.771 -5.228 -2.451 79 HG SER 12 HG SER 12 13.707 -5.642 -0.591 80 H LEU 13 H LEU 13 12.922 -8.050 -4.306 81 HA LEU 13 HA LEU 13 10.207 -8.538 -4.627 82 HB2 LEU 13 HB2 LEU 13 10.692 -10.824 -4.376 83 HB3 LEU 13 HB3 LEU 13 12.037 -10.057 -5.182 84 HG LEU 13 HG LEU 13 13.050 -9.977 -2.669 85 HD11 LEU 13 HD11 LEU 13 11.069 -11.033 -1.570 86 HD12 LEU 13 HD12 LEU 13 12.483 -12.076 -1.473 87 HD13 LEU 13 HD13 LEU 13 11.214 -12.429 -2.660 88 HD21 LEU 13 HD21 LEU 13 14.193 -12.089 -3.153 89 HD22 LEU 13 HD22 LEU 13 14.081 -11.095 -4.611 90 HD23 LEU 13 HD23 LEU 13 12.988 -12.485 -4.394 91 H TYR 14 H TYR 14 11.940 -8.030 -1.583 92 HA TYR 14 HA TYR 14 9.830 -9.055 0.131 93 HB2 TYR 14 HB2 TYR 14 12.113 -7.158 0.773 94 HB3 TYR 14 HB3 TYR 14 11.130 -8.031 1.932 95 HD1 TYR 14 HD1 TYR 14 11.181 -10.594 1.945 96 HD2 TYR 14 HD2 TYR 14 14.057 -8.189 -0.188 97 HE1 TYR 14 HE1 TYR 14 12.728 -12.536 1.861 98 HE2 TYR 14 HE2 TYR 14 15.615 -10.143 -0.273 99 HH TYR 14 HH TYR 14 14.782 -13.313 1.178 100 H GLN 15 H GLN 15 10.282 -6.050 -1.549 101 HA GLN 15 HA GLN 15 8.073 -4.733 -0.021 102 HB2 GLN 15 HB2 GLN 15 9.785 -3.639 -2.279 103 HB3 GLN 15 HB3 GLN 15 8.587 -2.752 -1.333 104 HG2 GLN 15 HG2 GLN 15 11.200 -3.914 -0.283 105 HG3 GLN 15 HG3 GLN 15 10.867 -2.227 -0.625 106 HE21 GLN 15 HE21 GLN 15 11.815 -2.926 1.879 107 HE22 GLN 15 HE22 GLN 15 10.518 -2.690 3.052 108 H LEU 16 H LEU 16 8.871 -6.000 -3.254 109 HA LEU 16 HA LEU 16 6.501 -5.224 -4.591 110 HB2 LEU 16 HB2 LEU 16 8.512 -7.438 -4.941 111 HB3 LEU 16 HB3 LEU 16 7.207 -7.263 -6.086 112 HG LEU 16 HG LEU 16 9.135 -4.984 -5.470 113 HD11 LEU 16 HD11 LEU 16 9.303 -7.009 -7.739 114 HD12 LEU 16 HD12 LEU 16 10.433 -6.886 -6.371 115 HD13 LEU 16 HD13 LEU 16 10.314 -5.570 -7.546 116 HD21 LEU 16 HD21 LEU 16 7.418 -5.540 -7.921 117 HD22 LEU 16 HD22 LEU 16 8.344 -4.075 -7.575 118 HD23 LEU 16 HD23 LEU 16 6.920 -4.481 -6.597 119 H GLU 17 H GLU 17 7.018 -8.188 -2.577 120 HA GLU 17 HA GLU 17 4.514 -9.400 -3.097 121 HB2 GLU 17 HB2 GLU 17 6.265 -9.349 -0.610 122 HB3 GLU 17 HB3 GLU 17 4.773 -10.291 -0.717 123 HG2 GLU 17 HG2 GLU 17 5.674 -11.351 -2.819 124 HG3 GLU 17 HG3 GLU 17 7.230 -10.622 -2.463 125 H ASN 18 H ASN 18 5.015 -6.396 -1.361 126 HA ASN 18 HA ASN 18 2.637 -6.615 0.290 127 HB2 ASN 18 HB2 ASN 18 4.365 -4.207 -0.435 128 HB3 ASN 18 HB3 ASN 18 3.107 -4.220 0.789 129 HD21 ASN 18 HD21 ASN 18 5.973 -3.654 1.164 130 HD22 ASN 18 HD22 ASN 18 6.509 -4.854 2.329 131 H TYR 19 H TYR 19 2.884 -6.197 -3.025 132 HA TYR 19 HA TYR 19 0.328 -4.648 -3.166 133 HB2 TYR 19 HB2 TYR 19 2.480 -4.753 -5.279 134 HB3 TYR 19 HB3 TYR 19 1.062 -3.727 -5.260 135 HD1 TYR 19 HD2 TYR 19 0.893 -1.883 -3.471 136 HD2 TYR 19 HD1 TYR 19 4.494 -4.134 -4.237 137 HE1 TYR 19 HE2 TYR 19 2.228 -0.211 -2.175 138 HE2 TYR 19 HE1 TYR 19 5.822 -2.454 -2.959 139 HH TYR 19 HH TYR 19 5.740 -0.556 -1.665 140 H CYS 20 H CYS 20 1.194 -7.793 -3.340 141 HA CYS 20 HA CYS 20 -0.005 -8.561 -5.855 142 HB2 CYS 20 HB2 CYS 20 0.588 -10.250 -3.420 143 HB3 CYS 20 HB3 CYS 20 0.171 -10.833 -5.041 144 H ASN 21 H ASN 21 -1.811 -9.964 -6.124 145 HA ASN 21 HA ASN 21 -4.329 -9.093 -5.031 146 HB2 ASN 21 HB2 ASN 21 -4.013 -9.914 -7.335 147 HB3 ASN 21 HB3 ASN 21 -3.446 -11.467 -6.725 148 HD21 ASN 21 HD21 ASN 21 -5.022 -12.490 -8.031 149 HD22 ASN 21 HD22 ASN 21 -6.715 -12.505 -7.534 150 H1 PHE 1 H1 PHE 1 16.437 -12.087 -8.949 151 H2 PHE 1 H2 PHE 1 16.282 -11.630 -10.511 152 H3 PHE 1 H3 PHE 1 15.028 -12.360 -9.747 153 HA PHE 1 HA PHE 1 14.627 -10.005 -9.961 154 HB2 PHE 1 HB2 PHE 1 15.130 -10.895 -7.088 155 HB3 PHE 1 HB3 PHE 1 14.169 -9.503 -7.567 156 HD1 PHE 1 HD1 PHE 1 12.220 -9.966 -9.306 157 HD2 PHE 1 HD2 PHE 1 13.997 -12.968 -6.760 158 HE1 PHE 1 HE1 PHE 1 10.228 -11.404 -9.613 159 HE2 PHE 1 HE2 PHE 1 11.988 -14.400 -7.063 160 HZ PHE 1 HZ PHE 1 10.105 -13.629 -8.496 161 H VAL 2 H VAL 2 15.151 -7.842 -8.775 162 HA VAL 2 HA VAL 2 18.088 -7.339 -8.891 163 HB VAL 2 HB VAL 2 17.071 -7.161 -11.150 164 HG11 VAL 2 HG11 VAL 2 15.553 -4.742 -10.067 165 HG12 VAL 2 HG12 VAL 2 15.655 -5.276 -11.756 166 HG13 VAL 2 HG13 VAL 2 14.830 -6.292 -10.568 167 HG21 VAL 2 HG21 VAL 2 19.103 -5.860 -10.525 168 HG22 VAL 2 HG22 VAL 2 18.124 -5.135 -11.809 169 HG23 VAL 2 HG23 VAL 2 18.048 -4.466 -10.167 170 H ASN 3 H ASN 3 18.770 -5.314 -8.058 171 HA ASN 3 HA ASN 3 16.883 -3.913 -6.223 172 HB2 ASN 3 HB2 ASN 3 18.878 -3.583 -4.724 173 HB3 ASN 3 HB3 ASN 3 18.209 -5.200 -4.792 174 HD21 ASN 3 HD21 ASN 3 20.804 -3.285 -6.414 175 HD22 ASN 3 HD22 ASN 3 21.962 -4.623 -6.394 176 H GLN 4 H GLN 4 16.472 -2.660 -8.124 177 HA GLN 4 HA GLN 4 18.183 -0.289 -8.372 178 HB2 GLN 4 HB2 GLN 4 17.428 -2.055 -10.750 179 HB3 GLN 4 HB3 GLN 4 17.929 -0.371 -10.900 180 HG2 GLN 4 HG2 GLN 4 20.076 -0.945 -9.703 181 HG3 GLN 4 HG3 GLN 4 19.632 -2.651 -9.842 182 HE21 GLN 4 HE21 GLN 4 19.187 -3.442 -12.179 183 HE22 GLN 4 HE22 GLN 4 20.176 -2.703 -13.429 184 H HIS 5 H HIS 5 16.889 1.291 -9.985 185 HA HIS 5 HA HIS 5 14.145 1.575 -8.999 186 HB2 HIS 5 HB2 HIS 5 15.723 3.083 -11.110 187 HB3 HIS 5 HB3 HIS 5 14.044 3.416 -10.709 188 HD1 HIS 5 HD1 HIS 5 13.886 5.471 -9.186 189 HD2 HIS 5 HD2 HIS 5 17.281 3.090 -8.510 190 HE1 HIS 5 HE1 HIS 5 15.269 6.676 -7.409 191 H LEU 6 H LEU 6 12.321 1.179 -10.041 192 HA LEU 6 HA LEU 6 12.229 0.003 -12.780 193 HB2 LEU 6 HB2 LEU 6 10.857 -1.162 -10.320 194 HB3 LEU 6 HB3 LEU 6 10.656 -1.726 -11.972 195 HG LEU 6 HG LEU 6 13.301 -1.841 -10.458 196 HD11 LEU 6 HD11 LEU 6 11.182 -3.966 -10.839 197 HD12 LEU 6 HD12 LEU 6 11.637 -3.191 -9.312 198 HD13 LEU 6 HD13 LEU 6 12.799 -4.237 -10.150 199 HD21 LEU 6 HD21 LEU 6 13.980 -3.448 -12.151 200 HD22 LEU 6 HD22 LEU 6 13.469 -1.964 -12.974 201 HD23 LEU 6 HD23 LEU 6 12.390 -3.384 -12.920 202 H CYS 7 H CYS 7 10.945 1.348 -13.885 203 HA CYS 7 HA CYS 7 8.547 2.575 -12.565 204 HB2 CYS 7 HB2 CYS 7 10.326 3.634 -14.779 205 HB3 CYS 7 HB3 CYS 7 8.813 4.380 -14.278 206 H GLY 8 H GLY 8 6.625 2.638 -13.703 207 HA2 GLY 8 HA2 GLY 8 4.984 1.978 -15.202 208 HA3 GLY 8 HA3 GLY 8 6.217 2.267 -16.429 209 H SER 9 H SER 9 6.659 0.588 -17.731 210 HA SER 9 HA SER 9 5.448 -1.973 -17.528 211 HB2 SER 9 HB2 SER 9 6.971 -2.565 -19.393 212 HB3 SER 9 HB3 SER 9 6.032 -1.081 -19.652 213 HG SER 9 HG SER 9 8.250 -0.826 -20.229 214 H HIS 10 H HIS 10 8.676 -0.853 -16.467 215 HA HIS 10 HA HIS 10 9.745 -3.510 -15.949 216 HB2 HIS 10 HB2 HIS 10 10.547 -0.735 -14.964 217 HB3 HIS 10 HB3 HIS 10 11.417 -2.209 -14.589 218 HD1 HIS 10 HD1 HIS 10 13.200 -2.973 -16.299 219 HD2 HIS 10 HD2 HIS 10 10.511 -0.068 -17.728 220 HE1 HIS 10 HE1 HIS 10 14.114 -2.210 -18.548 221 H LEU 11 H LEU 11 7.993 -1.084 -14.058 222 HA LEU 11 HA LEU 11 8.263 -2.315 -11.477 223 HB2 LEU 11 HB2 LEU 11 7.766 0.012 -11.812 224 HB3 LEU 11 HB3 LEU 11 6.280 -0.314 -12.656 225 HG LEU 11 HG LEU 11 6.595 -1.218 -9.777 226 HD11 LEU 11 HD11 LEU 11 5.727 1.530 -10.816 227 HD12 LEU 11 HD12 LEU 11 7.211 1.190 -9.898 228 HD13 LEU 11 HD13 LEU 11 5.632 0.986 -9.129 229 HD21 LEU 11 HD21 LEU 11 4.557 -2.021 -10.872 230 HD22 LEU 11 HD22 LEU 11 4.219 -0.397 -11.521 231 HD23 LEU 11 HD23 LEU 11 4.116 -0.716 -9.787 232 H VAL 12 H VAL 12 5.608 -2.467 -13.958 233 HA VAL 12 HA VAL 12 4.077 -4.299 -12.324 234 HB VAL 12 HB VAL 12 2.644 -4.632 -14.251 235 HG11 VAL 12 HG11 VAL 12 2.321 -2.736 -12.680 236 HG12 VAL 12 HG12 VAL 12 3.297 -1.700 -13.745 237 HG13 VAL 12 HG13 VAL 12 1.744 -2.363 -14.308 238 HG21 VAL 12 HG21 VAL 12 2.881 -3.287 -16.283 239 HG22 VAL 12 HG22 VAL 12 4.483 -2.756 -15.752 240 HG23 VAL 12 HG23 VAL 12 4.181 -4.470 -16.137 241 H GLU 13 H GLU 13 6.399 -4.863 -14.976 242 HA GLU 13 HA GLU 13 5.876 -7.671 -15.221 243 HB2 GLU 13 HB2 GLU 13 7.106 -6.326 -16.885 244 HB3 GLU 13 HB3 GLU 13 8.446 -6.120 -15.746 245 HG2 GLU 13 HG2 GLU 13 8.843 -8.556 -15.758 246 HG3 GLU 13 HG3 GLU 13 7.429 -8.805 -16.785 247 H ALA 14 H ALA 14 8.230 -5.878 -13.168 248 HA ALA 14 HA ALA 14 9.327 -8.194 -11.886 249 HB1 ALA 14 HB1 ALA 14 9.114 -5.290 -10.998 250 HB2 ALA 14 HB2 ALA 14 10.163 -6.526 -10.257 251 HB3 ALA 14 HB3 ALA 14 10.442 -6.017 -11.940 252 H LEU 15 H LEU 15 6.619 -5.993 -10.929 253 HA LEU 15 HA LEU 15 6.032 -7.266 -8.454 254 HB2 LEU 15 HB2 LEU 15 5.345 -5.026 -8.915 255 HB3 LEU 15 HB3 LEU 15 4.487 -5.515 -10.389 256 HG LEU 15 HG LEU 15 2.786 -6.609 -9.105 257 HD11 LEU 15 HD11 LEU 15 4.262 -5.672 -6.613 258 HD12 LEU 15 HD12 LEU 15 4.132 -7.362 -7.134 259 HD13 LEU 15 HD13 LEU 15 2.679 -6.498 -6.667 260 HD21 LEU 15 HD21 LEU 15 2.583 -4.185 -9.558 261 HD22 LEU 15 HD22 LEU 15 3.406 -3.824 -8.030 262 HD23 LEU 15 HD23 LEU 15 1.822 -4.590 -8.006 263 H TYR 16 H TYR 16 4.666 -7.845 -11.744 264 HA TYR 16 HA TYR 16 2.899 -9.974 -10.980 265 HB2 TYR 16 HB2 TYR 16 2.865 -8.634 -13.098 266 HB3 TYR 16 HB3 TYR 16 4.321 -9.455 -13.625 267 HD1 TYR 16 HD2 TYR 16 0.706 -9.826 -12.881 268 HD2 TYR 16 HD1 TYR 16 4.216 -11.738 -14.505 269 HE1 TYR 16 HE2 TYR 16 -0.726 -11.604 -13.874 270 HE2 TYR 16 HE1 TYR 16 2.780 -13.518 -15.497 271 HH TYR 16 HH TYR 16 -0.789 -13.501 -15.153 272 H LEU 17 H LEU 17 6.352 -10.059 -12.002 273 HA LEU 17 HA LEU 17 6.539 -12.923 -11.920 274 HB2 LEU 17 HB2 LEU 17 8.040 -11.384 -13.170 275 HB3 LEU 17 HB3 LEU 17 8.692 -10.792 -11.645 276 HG LEU 17 HG LEU 17 9.565 -13.091 -11.157 277 HD11 LEU 17 HD11 LEU 17 8.577 -13.712 -13.979 278 HD12 LEU 17 HD12 LEU 17 8.026 -14.489 -12.476 279 HD13 LEU 17 HD13 LEU 17 9.682 -14.729 -13.031 280 HD21 LEU 17 HD21 LEU 17 11.375 -13.030 -12.808 281 HD22 LEU 17 HD22 LEU 17 10.973 -11.393 -12.258 282 HD23 LEU 17 HD23 LEU 17 10.412 -11.948 -13.851 283 H VAL 18 H VAL 18 6.896 -10.443 -9.377 284 HA VAL 18 HA VAL 18 7.905 -12.350 -7.381 285 HB VAL 18 HB VAL 18 6.882 -9.496 -7.207 286 HG11 VAL 18 HG11 VAL 18 7.677 -9.551 -4.825 287 HG12 VAL 18 HG12 VAL 18 6.225 -10.499 -5.093 288 HG13 VAL 18 HG13 VAL 18 7.799 -11.311 -4.935 289 HG21 VAL 18 HG21 VAL 18 9.172 -9.858 -8.128 290 HG22 VAL 18 HG22 VAL 18 9.241 -9.089 -6.554 291 HG23 VAL 18 HG23 VAL 18 9.601 -10.817 -6.698 292 H CYS 19 H CYS 19 4.672 -10.996 -8.202 293 HA CYS 19 HA CYS 19 3.310 -12.510 -6.142 294 HB2 CYS 19 HB2 CYS 19 2.286 -11.348 -8.754 295 HB3 CYS 19 HB3 CYS 19 1.286 -11.876 -7.393 296 H GLY 20 H GLY 20 4.349 -13.259 -9.419 297 HA2 GLY 20 HA2 GLY 20 4.700 -15.231 -10.457 298 HA3 GLY 20 HA3 GLY 20 4.297 -16.096 -8.960 299 H GLU 21 H GLU 21 2.673 -14.123 -11.460 300 HA GLU 21 HA GLU 21 0.770 -14.308 -12.621 301 HB2 GLU 21 HB2 GLU 21 0.908 -17.301 -12.221 302 HB3 GLU 21 HB3 GLU 21 0.026 -16.426 -13.463 303 HG2 GLU 21 HG2 GLU 21 2.145 -15.588 -14.419 304 HG3 GLU 21 HG3 GLU 21 3.061 -16.458 -13.190 305 H ARG 22 H ARG 22 0.592 -14.529 -9.426 306 HA ARG 22 HA ARG 22 -2.267 -15.207 -9.109 307 HB2 ARG 22 HB2 ARG 22 -0.054 -14.219 -7.323 308 HB3 ARG 22 HB3 ARG 22 -1.675 -13.724 -6.896 309 HG2 ARG 22 HG2 ARG 22 -1.215 -15.725 -5.707 310 HG3 ARG 22 HG3 ARG 22 -2.479 -16.022 -6.911 311 HD2 ARG 22 HD2 ARG 22 -1.008 -17.919 -6.825 312 HD3 ARG 22 HD3 ARG 22 -0.787 -17.120 -8.388 313 HE ARG 22 HE ARG 22 1.195 -15.944 -7.036 314 HH11 ARG 22 HH11 ARG 22 0.453 -19.376 -7.096 315 HH12 ARG 22 HH12 ARG 22 2.106 -19.813 -6.759 316 HH21 ARG 22 HH21 ARG 22 3.186 -16.534 -6.623 317 HH22 ARG 22 HH22 ARG 22 3.652 -18.222 -6.497 318 H GLY 23 H GLY 23 -0.518 -12.444 -10.037 319 HA2 GLY 23 HA2 GLY 23 -1.381 -10.431 -10.982 320 HA3 GLY 23 HA3 GLY 23 -2.965 -10.765 -10.280 321 H PHE 24 H PHE 24 -2.274 -8.331 -10.010 322 HA PHE 24 HA PHE 24 -1.474 -7.810 -7.222 323 HB2 PHE 24 HB2 PHE 24 0.281 -6.274 -7.892 324 HB3 PHE 24 HB3 PHE 24 0.634 -7.874 -8.495 325 HD1 PHE 24 HD2 PHE 24 -0.276 -4.420 -9.447 326 HD2 PHE 24 HD1 PHE 24 0.615 -8.376 -10.901 327 HE1 PHE 24 HE2 PHE 24 -0.007 -3.518 -11.743 328 HE2 PHE 24 HE1 PHE 24 0.822 -7.463 -13.215 329 HZ PHE 24 HZ PHE 24 0.480 -5.051 -13.634 330 H PHE 25 H PHE 25 -1.624 -5.494 -6.680 331 HA PHE 25 HA PHE 25 -3.662 -3.980 -8.269 332 HB2 PHE 25 HB2 PHE 25 -4.569 -4.746 -6.107 333 HB3 PHE 25 HB3 PHE 25 -3.216 -3.991 -5.260 334 HD1 PHE 25 HD1 PHE 25 -6.087 -3.226 -7.564 335 HD2 PHE 25 HD2 PHE 25 -3.365 -1.713 -4.580 336 HE1 PHE 25 HE1 PHE 25 -7.360 -1.093 -7.488 337 HE2 PHE 25 HE2 PHE 25 -4.663 0.417 -4.491 338 HZ PHE 25 HZ PHE 25 -6.638 0.730 -5.959 339 H TYR 26 H TYR 26 -2.899 -2.149 -9.126 340 HA TYR 26 HA TYR 26 -0.269 -1.108 -8.271 341 HB2 TYR 26 HB2 TYR 26 -0.449 0.270 -10.350 342 HB3 TYR 26 HB3 TYR 26 -0.290 -1.463 -10.554 343 HD1 TYR 26 HD1 TYR 26 -2.166 -2.857 -11.354 344 HD2 TYR 26 HD2 TYR 26 -2.480 1.436 -11.069 345 HE1 TYR 26 HE1 TYR 26 -4.176 -2.912 -12.826 346 HE2 TYR 26 HE2 TYR 26 -4.489 1.381 -12.558 347 HH TYR 26 HH TYR 26 -5.810 -1.676 -13.863 348 H THR 27 H THR 27 -0.142 0.380 -6.891 349 HA THR 27 HA THR 27 -2.235 2.497 -6.583 350 HB THR 27 HB THR 27 -2.510 1.297 -4.657 351 HG1 THR 27 HG1 THR 27 -1.803 2.628 -3.100 352 HG21 THR 27 HG21 THR 27 0.489 0.826 -4.508 353 HG22 THR 27 HG22 THR 27 -0.802 -0.372 -4.692 354 HG23 THR 27 HG23 THR 27 -0.633 0.503 -3.167 355 H LYS 28 H LYS 28 -1.616 4.558 -6.545 356 HA LYS 28 HA LYS 28 1.210 5.398 -6.567 357 HB2 LYS 28 HB2 LYS 28 1.088 6.303 -8.847 358 HB3 LYS 28 HB3 LYS 28 0.797 4.576 -8.854 359 HG2 LYS 28 HG2 LYS 28 -1.652 4.975 -9.057 360 HG3 LYS 28 HG3 LYS 28 -1.348 6.725 -9.052 361 HD2 LYS 28 HD2 LYS 28 -0.030 6.542 -11.120 362 HD3 LYS 28 HD3 LYS 28 -0.193 4.778 -11.096 363 HE2 LYS 28 HE2 LYS 28 -1.745 5.675 -12.696 364 HE3 LYS 28 HE3 LYS 28 -2.655 4.991 -11.342 365 HZ1 LYS 28 HZ1 LYS 28 -2.041 7.887 -11.606 366 HZ2 LYS 28 HZ2 LYS 28 -3.020 7.235 -10.500 367 HZ3 LYS 28 HZ3 LYS 28 -3.465 7.215 -12.079 368 HA PRO 29 HA PRO 29 -0.302 9.138 -4.943 369 HB2 PRO 29 HB2 PRO 29 1.141 10.788 -7.008 370 HB3 PRO 29 HB3 PRO 29 1.206 10.890 -5.221 371 HG2 PRO 29 HG2 PRO 29 3.226 9.716 -6.574 372 HG3 PRO 29 HG3 PRO 29 2.585 8.938 -5.090 373 HD2 PRO 29 HD2 PRO 29 1.879 8.331 -7.982 374 HD3 PRO 29 HD3 PRO 29 2.363 7.197 -6.695 375 H THR 30 H THR 30 -0.853 8.938 -8.419 376 HA THR 30 HA THR 30 -2.811 11.156 -8.417 377 HB THR 30 HB THR 30 -2.669 10.927 -10.900 378 HG1 THR 30 HG1 THR 30 -0.681 9.831 -11.557 379 HG21 THR 30 HG21 THR 30 -1.322 12.587 -9.604 380 HG22 THR 30 HG22 THR 30 -0.502 12.026 -11.074 381 HG23 THR 30 HG23 THR 30 -0.002 11.399 -9.490 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 3.543 2.674 -0.728 2 H2 GLY 1 H2 GLY 1 2.066 3.379 -0.569 3 H3 GLY 1 H3 GLY 1 3.248 4.155 -1.388 4 HA2 GLY 1 HA2 GLY 1 1.850 1.696 -2.211 5 HA3 GLY 1 HA3 GLY 1 1.740 3.287 -2.986 6 H ILE 2 H ILE 2 2.321 1.192 -4.564 7 HA ILE 2 HA ILE 2 4.987 0.271 -4.640 8 HB ILE 2 HB ILE 2 3.076 -0.865 -5.685 9 HG12 ILE 2 HG12 ILE 2 4.175 -1.584 -7.767 10 HG13 ILE 2 HG13 ILE 2 5.357 -0.282 -7.611 11 HG21 ILE 2 HG21 ILE 2 2.040 1.150 -6.771 12 HG22 ILE 2 HG22 ILE 2 3.402 1.172 -7.924 13 HG23 ILE 2 HG23 ILE 2 2.287 -0.197 -7.889 14 HD11 ILE 2 HD11 ILE 2 5.030 -2.786 -6.025 15 HD12 ILE 2 HD12 ILE 2 6.392 -2.263 -7.005 16 HD13 ILE 2 HD13 ILE 2 6.094 -1.453 -5.454 17 H VAL 3 H VAL 3 3.643 3.148 -6.249 18 HA VAL 3 HA VAL 3 5.945 3.649 -7.904 19 HB VAL 3 HB VAL 3 3.840 5.618 -6.916 20 HG11 VAL 3 HG11 VAL 3 4.360 6.880 -8.953 21 HG12 VAL 3 HG12 VAL 3 5.801 6.743 -7.940 22 HG13 VAL 3 HG13 VAL 3 5.621 5.710 -9.385 23 HG21 VAL 3 HG21 VAL 3 2.734 5.157 -9.122 24 HG22 VAL 3 HG22 VAL 3 3.900 3.843 -9.404 25 HG23 VAL 3 HG23 VAL 3 2.731 3.747 -8.067 26 H GLU 4 H GLU 4 5.047 4.736 -4.644 27 HA GLU 4 HA GLU 4 7.283 6.528 -4.215 28 HB2 GLU 4 HB2 GLU 4 5.565 4.994 -2.227 29 HB3 GLU 4 HB3 GLU 4 6.603 6.365 -1.843 30 HG2 GLU 4 HG2 GLU 4 5.223 7.873 -3.180 31 HG3 GLU 4 HG3 GLU 4 4.206 6.536 -3.727 32 H GLN 5 H GLN 5 6.817 3.057 -3.924 33 HA GLN 5 HA GLN 5 9.298 2.606 -2.420 34 HB2 GLN 5 HB2 GLN 5 7.293 1.355 -1.908 35 HB3 GLN 5 HB3 GLN 5 7.209 0.744 -3.560 36 HG2 GLN 5 HG2 GLN 5 8.100 -0.970 -2.111 37 HG3 GLN 5 HG3 GLN 5 9.327 -0.447 -3.250 38 HE21 GLN 5 HE21 GLN 5 11.152 0.956 -2.405 39 HE22 GLN 5 HE22 GLN 5 11.529 0.797 -0.698 40 H CYS 6 H CYS 6 8.165 1.932 -5.759 41 HA CYS 6 HA CYS 6 10.862 0.887 -6.447 42 HB2 CYS 6 HB2 CYS 6 8.071 0.436 -7.552 43 HB3 CYS 6 HB3 CYS 6 9.530 -0.115 -8.365 44 H CYS 7 H CYS 7 8.607 3.461 -7.572 45 HA CYS 7 HA CYS 7 10.149 3.778 -10.051 46 HB2 CYS 7 HB2 CYS 7 7.696 4.142 -9.919 47 HB3 CYS 7 HB3 CYS 7 7.986 5.553 -8.897 48 H THR 8 H THR 8 9.658 5.713 -7.076 49 HA THR 8 HA THR 8 11.773 7.612 -7.853 50 HB THR 8 HB THR 8 9.506 8.192 -6.950 51 HG1 THR 8 HG1 THR 8 10.335 9.981 -5.860 52 HG21 THR 8 HG21 THR 8 9.138 8.315 -4.574 53 HG22 THR 8 HG22 THR 8 10.749 7.650 -4.232 54 HG23 THR 8 HG23 THR 8 9.503 6.643 -5.000 55 H SER 9 H SER 9 11.803 4.722 -6.187 56 HA SER 9 HA SER 9 14.508 5.217 -5.127 57 HB2 SER 9 HB2 SER 9 12.795 5.687 -3.271 58 HB3 SER 9 HB3 SER 9 12.428 3.950 -3.331 59 HG SER 9 HG SER 9 14.065 4.528 -1.771 60 H ILE 10 H ILE 10 15.470 3.095 -4.311 61 HA ILE 10 HA ILE 10 14.979 0.898 -6.204 62 HB ILE 10 HB ILE 10 16.929 1.302 -3.907 63 HG12 ILE 10 HG12 ILE 10 17.201 1.030 -6.936 64 HG13 ILE 10 HG13 ILE 10 17.411 2.497 -5.980 65 HG21 ILE 10 HG21 ILE 10 16.336 -1.073 -3.832 66 HG22 ILE 10 HG22 ILE 10 16.589 -1.213 -5.588 67 HG23 ILE 10 HG23 ILE 10 17.947 -0.883 -4.483 68 HD11 ILE 10 HD11 ILE 10 19.576 1.718 -6.599 69 HD12 ILE 10 HD12 ILE 10 19.393 1.400 -4.856 70 HD13 ILE 10 HD13 ILE 10 19.245 0.075 -6.052 71 H CYS 11 H CYS 11 14.047 -1.069 -5.767 72 HA CYS 11 HA CYS 11 12.920 -1.555 -3.067 73 HB2 CYS 11 HB2 CYS 11 10.790 -2.160 -3.941 74 HB3 CYS 11 HB3 CYS 11 11.212 -0.547 -4.474 75 H SER 12 H SER 12 11.825 -3.913 -3.220 76 HA SER 12 HA SER 12 13.670 -5.857 -4.448 77 HB2 SER 12 HB2 SER 12 14.574 -5.054 -2.135 78 HB3 SER 12 HB3 SER 12 13.173 -5.885 -1.437 79 HG SER 12 HG SER 12 14.976 -7.295 -1.571 80 H LEU 13 H LEU 13 12.889 -8.111 -4.094 81 HA LEU 13 HA LEU 13 10.160 -8.574 -4.462 82 HB2 LEU 13 HB2 LEU 13 10.634 -10.829 -4.378 83 HB3 LEU 13 HB3 LEU 13 12.090 -10.070 -4.960 84 HG LEU 13 HG LEU 13 12.791 -10.228 -2.352 85 HD11 LEU 13 HD11 LEU 13 10.630 -11.281 -1.617 86 HD12 LEU 13 HD12 LEU 13 11.990 -12.383 -1.415 87 HD13 LEU 13 HD13 LEU 13 10.881 -12.585 -2.784 88 HD21 LEU 13 HD21 LEU 13 12.861 -12.577 -4.286 89 HD22 LEU 13 HD22 LEU 13 13.915 -12.342 -2.867 90 HD23 LEU 13 HD23 LEU 13 14.017 -11.233 -4.240 91 H TYR 14 H TYR 14 11.942 -8.329 -1.415 92 HA TYR 14 HA TYR 14 9.923 -9.243 0.375 93 HB2 TYR 14 HB2 TYR 14 11.958 -7.073 0.970 94 HB3 TYR 14 HB3 TYR 14 11.267 -8.241 2.083 95 HD1 TYR 14 HD1 TYR 14 11.665 -10.852 0.863 96 HD2 TYR 14 HD2 TYR 14 14.246 -7.395 0.775 97 HE1 TYR 14 HE1 TYR 14 13.635 -12.330 0.515 98 HE2 TYR 14 HE2 TYR 14 16.212 -8.879 0.391 99 HH TYR 14 HH TYR 14 15.914 -12.440 0.193 100 H GLN 15 H GLN 15 10.229 -6.227 -1.318 101 HA GLN 15 HA GLN 15 8.116 -4.829 0.265 102 HB2 GLN 15 HB2 GLN 15 9.612 -3.781 -2.150 103 HB3 GLN 15 HB3 GLN 15 8.694 -2.894 -0.939 104 HG2 GLN 15 HG2 GLN 15 11.405 -4.258 -0.567 105 HG3 GLN 15 HG3 GLN 15 11.062 -2.539 -0.612 106 HE21 GLN 15 HE21 GLN 15 9.722 -1.609 1.171 107 HE22 GLN 15 HE22 GLN 15 9.834 -2.385 2.758 108 H LEU 16 H LEU 16 8.839 -6.046 -3.015 109 HA LEU 16 HA LEU 16 6.450 -5.273 -4.292 110 HB2 LEU 16 HB2 LEU 16 8.479 -7.457 -4.735 111 HB3 LEU 16 HB3 LEU 16 7.165 -7.239 -5.861 112 HG LEU 16 HG LEU 16 9.123 -5.006 -5.179 113 HD11 LEU 16 HD11 LEU 16 9.195 -6.903 -7.559 114 HD12 LEU 16 HD12 LEU 16 10.356 -6.893 -6.206 115 HD13 LEU 16 HD13 LEU 16 10.255 -5.501 -7.291 116 HD21 LEU 16 HD21 LEU 16 7.246 -5.455 -7.536 117 HD22 LEU 16 HD22 LEU 16 8.312 -4.063 -7.305 118 HD23 LEU 16 HD23 LEU 16 6.959 -4.328 -6.198 119 H GLU 17 H GLU 17 7.054 -8.331 -2.454 120 HA GLU 17 HA GLU 17 4.595 -9.597 -2.990 121 HB2 GLU 17 HB2 GLU 17 6.384 -9.579 -0.531 122 HB3 GLU 17 HB3 GLU 17 4.926 -10.578 -0.648 123 HG2 GLU 17 HG2 GLU 17 5.810 -11.530 -2.795 124 HG3 GLU 17 HG3 GLU 17 7.345 -10.750 -2.466 125 H ASN 18 H ASN 18 4.998 -6.669 -1.112 126 HA ASN 18 HA ASN 18 2.547 -7.008 0.447 127 HB2 ASN 18 HB2 ASN 18 4.342 -4.579 -0.005 128 HB3 ASN 18 HB3 ASN 18 2.976 -4.647 1.117 129 HD21 ASN 18 HD21 ASN 18 6.226 -5.630 0.508 130 HD22 ASN 18 HD22 ASN 18 6.546 -6.378 2.066 131 H TYR 19 H TYR 19 2.995 -6.384 -2.819 132 HA TYR 19 HA TYR 19 0.437 -4.836 -3.031 133 HB2 TYR 19 HB2 TYR 19 2.739 -4.954 -4.984 134 HB3 TYR 19 HB3 TYR 19 1.337 -3.918 -5.106 135 HD1 TYR 19 HD2 TYR 19 0.951 -2.461 -2.772 136 HD2 TYR 19 HD1 TYR 19 4.674 -3.964 -4.316 137 HE1 TYR 19 HE2 TYR 19 2.184 -0.705 -1.507 138 HE2 TYR 19 HE1 TYR 19 5.913 -2.201 -3.091 139 HH TYR 19 HH TYR 19 5.740 -0.409 -1.602 140 H CYS 20 H CYS 20 1.338 -7.981 -3.272 141 HA CYS 20 HA CYS 20 0.101 -8.674 -5.804 142 HB2 CYS 20 HB2 CYS 20 0.705 -10.450 -3.428 143 HB3 CYS 20 HB3 CYS 20 0.320 -10.962 -5.079 144 H ASN 21 H ASN 21 -1.750 -10.103 -6.015 145 HA ASN 21 HA ASN 21 -4.177 -9.191 -4.812 146 HB2 ASN 21 HB2 ASN 21 -4.006 -10.247 -7.058 147 HB3 ASN 21 HB3 ASN 21 -3.516 -11.767 -6.324 148 HD21 ASN 21 HD21 ASN 21 -6.224 -9.417 -6.427 149 HD22 ASN 21 HD22 ASN 21 -7.457 -10.638 -6.129 150 H1 PHE 1 H1 PHE 1 16.509 -12.422 -8.669 151 H2 PHE 1 H2 PHE 1 16.390 -12.045 -10.256 152 H3 PHE 1 H3 PHE 1 15.117 -12.730 -9.485 153 HA PHE 1 HA PHE 1 14.736 -10.386 -9.830 154 HB2 PHE 1 HB2 PHE 1 15.149 -11.110 -6.899 155 HB3 PHE 1 HB3 PHE 1 14.203 -9.756 -7.489 156 HD1 PHE 1 HD1 PHE 1 12.245 -10.280 -9.158 157 HD2 PHE 1 HD2 PHE 1 14.052 -13.216 -6.559 158 HE1 PHE 1 HE1 PHE 1 10.238 -11.715 -9.382 159 HE2 PHE 1 HE2 PHE 1 12.038 -14.647 -6.787 160 HZ PHE 1 HZ PHE 1 10.130 -13.906 -8.195 161 H VAL 2 H VAL 2 15.250 -8.164 -9.054 162 HA VAL 2 HA VAL 2 18.153 -7.682 -8.552 163 HB VAL 2 HB VAL 2 18.150 -5.849 -10.191 164 HG11 VAL 2 HG11 VAL 2 17.391 -8.487 -11.500 165 HG12 VAL 2 HG12 VAL 2 18.342 -7.170 -12.203 166 HG13 VAL 2 HG13 VAL 2 18.992 -8.085 -10.837 167 HG21 VAL 2 HG21 VAL 2 15.727 -5.347 -10.316 168 HG22 VAL 2 HG22 VAL 2 16.435 -5.630 -11.910 169 HG23 VAL 2 HG23 VAL 2 15.449 -6.893 -11.146 170 H ASN 3 H ASN 3 18.649 -5.510 -7.819 171 HA ASN 3 HA ASN 3 16.396 -4.106 -6.446 172 HB2 ASN 3 HB2 ASN 3 19.283 -4.443 -5.528 173 HB3 ASN 3 HB3 ASN 3 18.074 -3.406 -4.756 174 HD21 ASN 3 HD21 ASN 3 15.869 -4.698 -4.351 175 HD22 ASN 3 HD22 ASN 3 16.127 -6.255 -3.568 176 H GLN 4 H GLN 4 15.888 -2.628 -7.878 177 HA GLN 4 HA GLN 4 17.821 -0.601 -8.833 178 HB2 GLN 4 HB2 GLN 4 17.821 -2.703 -10.334 179 HB3 GLN 4 HB3 GLN 4 16.145 -2.333 -10.720 180 HG2 GLN 4 HG2 GLN 4 16.869 -0.190 -11.758 181 HG3 GLN 4 HG3 GLN 4 18.544 -0.536 -11.290 182 HE21 GLN 4 HE21 GLN 4 19.531 -2.584 -12.243 183 HE22 GLN 4 HE22 GLN 4 18.962 -3.071 -13.833 184 H HIS 5 H HIS 5 16.557 1.135 -10.109 185 HA HIS 5 HA HIS 5 13.898 1.680 -8.952 186 HB2 HIS 5 HB2 HIS 5 15.585 3.059 -11.075 187 HB3 HIS 5 HB3 HIS 5 13.910 3.498 -10.761 188 HD1 HIS 5 HD1 HIS 5 13.726 5.529 -9.224 189 HD2 HIS 5 HD2 HIS 5 17.018 3.041 -8.410 190 HE1 HIS 5 HE1 HIS 5 15.070 6.691 -7.390 191 H LEU 6 H LEU 6 12.046 1.060 -9.798 192 HA LEU 6 HA LEU 6 11.859 -0.111 -12.551 193 HB2 LEU 6 HB2 LEU 6 10.700 -1.261 -9.977 194 HB3 LEU 6 HB3 LEU 6 10.410 -1.895 -11.589 195 HG LEU 6 HG LEU 6 13.155 -1.790 -10.278 196 HD11 LEU 6 HD11 LEU 6 11.180 -4.068 -10.449 197 HD12 LEU 6 HD12 LEU 6 11.687 -3.218 -8.981 198 HD13 LEU 6 HD13 LEU 6 12.860 -4.203 -9.875 199 HD21 LEU 6 HD21 LEU 6 12.177 -3.386 -12.671 200 HD22 LEU 6 HD22 LEU 6 13.807 -3.433 -11.965 201 HD23 LEU 6 HD23 LEU 6 13.244 -1.956 -12.743 202 H CYS 7 H CYS 7 10.529 1.222 -13.615 203 HA CYS 7 HA CYS 7 8.005 2.119 -12.327 204 HB2 CYS 7 HB2 CYS 7 9.940 3.833 -12.317 205 HB3 CYS 7 HB3 CYS 7 9.629 4.000 -14.037 206 H GLY 8 H GLY 8 6.296 2.640 -13.830 207 HA2 GLY 8 HA2 GLY 8 4.941 2.116 -15.628 208 HA3 GLY 8 HA3 GLY 8 6.376 2.305 -16.633 209 H SER 9 H SER 9 6.714 0.555 -17.888 210 HA SER 9 HA SER 9 5.508 -1.997 -17.571 211 HB2 SER 9 HB2 SER 9 7.092 -2.686 -19.352 212 HB3 SER 9 HB3 SER 9 6.150 -1.229 -19.719 213 HG SER 9 HG SER 9 8.389 -0.985 -20.247 214 H HIS 10 H HIS 10 8.670 -0.802 -16.430 215 HA HIS 10 HA HIS 10 9.778 -3.415 -15.826 216 HB2 HIS 10 HB2 HIS 10 10.459 -0.606 -14.853 217 HB3 HIS 10 HB3 HIS 10 11.353 -2.041 -14.400 218 HD1 HIS 10 HD1 HIS 10 13.237 -2.792 -16.000 219 HD2 HIS 10 HD2 HIS 10 10.539 -0.008 -17.643 220 HE1 HIS 10 HE1 HIS 10 14.234 -2.079 -18.228 221 H LEU 11 H LEU 11 7.895 -1.043 -14.011 222 HA LEU 11 HA LEU 11 8.103 -2.206 -11.395 223 HB2 LEU 11 HB2 LEU 11 7.490 0.079 -11.833 224 HB3 LEU 11 HB3 LEU 11 6.063 -0.365 -12.725 225 HG LEU 11 HG LEU 11 6.340 -1.097 -9.803 226 HD11 LEU 11 HD11 LEU 11 6.824 1.309 -9.965 227 HD12 LEU 11 HD12 LEU 11 5.186 1.111 -9.337 228 HD13 LEU 11 HD13 LEU 11 5.420 1.552 -11.034 229 HD21 LEU 11 HD21 LEU 11 4.378 -2.070 -10.891 230 HD22 LEU 11 HD22 LEU 11 3.970 -0.511 -11.643 231 HD23 LEU 11 HD23 LEU 11 3.835 -0.726 -9.892 232 H VAL 12 H VAL 12 5.577 -2.503 -13.980 233 HA VAL 12 HA VAL 12 4.035 -4.370 -12.386 234 HB VAL 12 HB VAL 12 2.668 -4.718 -14.357 235 HG11 VAL 12 HG11 VAL 12 3.244 -1.770 -13.849 236 HG12 VAL 12 HG12 VAL 12 1.718 -2.470 -14.418 237 HG13 VAL 12 HG13 VAL 12 2.287 -2.813 -12.775 238 HG21 VAL 12 HG21 VAL 12 2.930 -3.355 -16.377 239 HG22 VAL 12 HG22 VAL 12 4.487 -2.765 -15.786 240 HG23 VAL 12 HG23 VAL 12 4.275 -4.485 -16.191 241 H GLU 13 H GLU 13 6.440 -4.857 -14.985 242 HA GLU 13 HA GLU 13 5.969 -7.675 -15.250 243 HB2 GLU 13 HB2 GLU 13 7.155 -6.287 -16.907 244 HB3 GLU 13 HB3 GLU 13 8.504 -6.070 -15.775 245 HG2 GLU 13 HG2 GLU 13 8.932 -8.501 -15.810 246 HG3 GLU 13 HG3 GLU 13 7.520 -8.761 -16.831 247 H ALA 14 H ALA 14 8.286 -5.850 -13.183 248 HA ALA 14 HA ALA 14 9.432 -8.154 -11.918 249 HB1 ALA 14 HB1 ALA 14 10.203 -6.481 -10.264 250 HB2 ALA 14 HB2 ALA 14 10.481 -5.933 -11.939 251 HB3 ALA 14 HB3 ALA 14 9.129 -5.267 -10.991 252 H LEU 15 H LEU 15 6.684 -6.010 -10.922 253 HA LEU 15 HA LEU 15 6.183 -7.343 -8.465 254 HB2 LEU 15 HB2 LEU 15 5.478 -5.072 -8.930 255 HB3 LEU 15 HB3 LEU 15 4.506 -5.599 -10.305 256 HG LEU 15 HG LEU 15 2.940 -6.685 -8.886 257 HD11 LEU 15 HD11 LEU 15 4.611 -5.775 -6.508 258 HD12 LEU 15 HD12 LEU 15 4.436 -7.460 -7.039 259 HD13 LEU 15 HD13 LEU 15 3.031 -6.604 -6.439 260 HD21 LEU 15 HD21 LEU 15 3.643 -3.911 -7.820 261 HD22 LEU 15 HD22 LEU 15 2.061 -4.692 -7.671 262 HD23 LEU 15 HD23 LEU 15 2.688 -4.245 -9.272 263 H TYR 16 H TYR 16 4.756 -7.869 -11.734 264 HA TYR 16 HA TYR 16 3.013 -10.028 -10.990 265 HB2 TYR 16 HB2 TYR 16 2.914 -8.668 -13.074 266 HB3 TYR 16 HB3 TYR 16 4.402 -9.413 -13.626 267 HD1 TYR 16 HD1 TYR 16 0.799 -9.945 -12.947 268 HD2 TYR 16 HD2 TYR 16 4.413 -11.674 -14.539 269 HE1 TYR 16 HE1 TYR 16 -0.548 -11.738 -14.052 270 HE2 TYR 16 HE2 TYR 16 3.084 -13.466 -15.623 271 HH TYR 16 HH TYR 16 0.970 -14.287 -16.067 272 H LEU 17 H LEU 17 6.465 -10.050 -12.017 273 HA LEU 17 HA LEU 17 6.710 -12.905 -11.989 274 HB2 LEU 17 HB2 LEU 17 8.210 -11.291 -13.169 275 HB3 LEU 17 HB3 LEU 17 8.823 -10.748 -11.612 276 HG LEU 17 HG LEU 17 9.699 -13.073 -11.194 277 HD11 LEU 17 HD11 LEU 17 9.923 -14.599 -13.138 278 HD12 LEU 17 HD12 LEU 17 8.850 -13.533 -14.087 279 HD13 LEU 17 HD13 LEU 17 8.239 -14.387 -12.650 280 HD21 LEU 17 HD21 LEU 17 11.576 -12.877 -12.760 281 HD22 LEU 17 HD22 LEU 17 11.130 -11.290 -12.114 282 HD23 LEU 17 HD23 LEU 17 10.637 -11.739 -13.758 283 H VAL 18 H VAL 18 7.041 -10.465 -9.405 284 HA VAL 18 HA VAL 18 8.045 -12.364 -7.415 285 HB VAL 18 HB VAL 18 6.952 -9.536 -7.224 286 HG11 VAL 18 HG11 VAL 18 6.305 -10.575 -5.118 287 HG12 VAL 18 HG12 VAL 18 7.893 -11.369 -4.964 288 HG13 VAL 18 HG13 VAL 18 7.744 -9.613 -4.825 289 HG21 VAL 18 HG21 VAL 18 9.251 -9.830 -8.123 290 HG22 VAL 18 HG22 VAL 18 9.280 -9.055 -6.539 291 HG23 VAL 18 HG23 VAL 18 9.696 -10.769 -6.681 292 H CYS 19 H CYS 19 4.808 -11.035 -8.227 293 HA CYS 19 HA CYS 19 3.440 -12.570 -6.210 294 HB2 CYS 19 HB2 CYS 19 2.426 -11.291 -8.770 295 HB3 CYS 19 HB3 CYS 19 1.422 -11.859 -7.425 296 H GLY 20 H GLY 20 4.552 -13.352 -9.428 297 HA2 GLY 20 HA2 GLY 20 4.774 -15.314 -10.514 298 HA3 GLY 20 HA3 GLY 20 4.322 -16.163 -9.027 299 H GLU 21 H GLU 21 2.860 -14.157 -11.573 300 HA GLU 21 HA GLU 21 0.937 -14.186 -12.719 301 HB2 GLU 21 HB2 GLU 21 0.845 -17.198 -12.423 302 HB3 GLU 21 HB3 GLU 21 0.094 -16.194 -13.645 303 HG2 GLU 21 HG2 GLU 21 1.863 -16.919 -14.853 304 HG3 GLU 21 HG3 GLU 21 2.543 -15.430 -14.222 305 H ARG 22 H ARG 22 0.748 -14.529 -9.542 306 HA ARG 22 HA ARG 22 -2.047 -15.211 -9.118 307 HB2 ARG 22 HB2 ARG 22 -0.046 -15.141 -7.444 308 HB3 ARG 22 HB3 ARG 22 -0.340 -13.400 -7.388 309 HG2 ARG 22 HG2 ARG 22 -2.862 -14.287 -6.852 310 HG3 ARG 22 HG3 ARG 22 -1.968 -15.705 -6.323 311 HD2 ARG 22 HD2 ARG 22 -1.612 -12.835 -5.364 312 HD3 ARG 22 HD3 ARG 22 -2.397 -14.144 -4.477 313 HE ARG 22 HE ARG 22 0.271 -14.946 -5.084 314 HH11 ARG 22 HH11 ARG 22 -1.387 -12.622 -3.022 315 HH12 ARG 22 HH12 ARG 22 -0.107 -12.651 -1.832 316 HH21 ARG 22 HH21 ARG 22 1.872 -14.898 -3.540 317 HH22 ARG 22 HH22 ARG 22 1.715 -13.865 -2.148 318 H GLY 23 H GLY 23 -0.451 -12.323 -10.168 319 HA2 GLY 23 HA2 GLY 23 -1.418 -10.321 -10.968 320 HA3 GLY 23 HA3 GLY 23 -2.961 -10.733 -10.232 321 H PHE 24 H PHE 24 -2.117 -8.274 -9.957 322 HA PHE 24 HA PHE 24 -1.350 -7.849 -7.137 323 HB2 PHE 24 HB2 PHE 24 0.448 -6.339 -7.789 324 HB3 PHE 24 HB3 PHE 24 0.747 -7.940 -8.420 325 HD1 PHE 24 HD1 PHE 24 0.689 -8.405 -10.828 326 HD2 PHE 24 HD2 PHE 24 -0.081 -4.439 -9.307 327 HE1 PHE 24 HE1 PHE 24 0.876 -7.469 -13.133 328 HE2 PHE 24 HE2 PHE 24 0.149 -3.519 -11.601 329 HZ PHE 24 HZ PHE 24 0.566 -5.039 -13.514 330 H PHE 25 H PHE 25 -1.418 -5.541 -6.539 331 HA PHE 25 HA PHE 25 -3.353 -3.868 -8.084 332 HB2 PHE 25 HB2 PHE 25 -4.551 -4.920 -6.232 333 HB3 PHE 25 HB3 PHE 25 -3.324 -4.390 -5.089 334 HD1 PHE 25 HD1 PHE 25 -5.874 -3.112 -7.536 335 HD2 PHE 25 HD2 PHE 25 -3.541 -2.279 -3.998 336 HE1 PHE 25 HE1 PHE 25 -7.173 -1.028 -7.162 337 HE2 PHE 25 HE2 PHE 25 -4.863 -0.205 -3.627 338 HZ PHE 25 HZ PHE 25 -6.657 0.436 -5.218 339 H TYR 26 H TYR 26 -2.320 -2.091 -8.714 340 HA TYR 26 HA TYR 26 0.236 -1.358 -7.531 341 HB2 TYR 26 HB2 TYR 26 0.421 0.105 -9.534 342 HB3 TYR 26 HB3 TYR 26 0.184 -1.594 -9.843 343 HD1 TYR 26 HD1 TYR 26 -1.471 1.738 -9.926 344 HD2 TYR 26 HD2 TYR 26 -1.777 -2.429 -10.993 345 HE1 TYR 26 HE1 TYR 26 -3.341 2.271 -11.502 346 HE2 TYR 26 HE2 TYR 26 -3.658 -1.905 -12.533 347 HH TYR 26 HH TYR 26 -4.980 -0.265 -13.434 348 H THR 27 H THR 27 -1.957 -0.818 -5.831 349 HA THR 27 HA THR 27 -2.844 0.743 -4.463 350 HB THR 27 HB THR 27 -1.201 2.105 -3.308 351 HG1 THR 27 HG1 THR 27 0.094 2.569 -5.211 352 HG21 THR 27 HG21 THR 27 0.176 0.276 -2.535 353 HG22 THR 27 HG22 THR 27 -0.129 -0.654 -4.017 354 HG23 THR 27 HG23 THR 27 -1.448 -0.336 -2.862 355 H LYS 28 H LYS 28 -3.707 1.411 -6.922 356 HA LYS 28 HA LYS 28 -3.677 4.293 -7.303 357 HB2 LYS 28 HB2 LYS 28 -5.378 3.918 -8.966 358 HB3 LYS 28 HB3 LYS 28 -4.118 2.703 -9.138 359 HG2 LYS 28 HG2 LYS 28 -5.576 1.037 -7.986 360 HG3 LYS 28 HG3 LYS 28 -6.831 2.284 -7.805 361 HD2 LYS 28 HD2 LYS 28 -6.882 2.524 -10.309 362 HD3 LYS 28 HD3 LYS 28 -5.702 1.226 -10.423 363 HE2 LYS 28 HE2 LYS 28 -7.820 0.263 -10.868 364 HE3 LYS 28 HE3 LYS 28 -7.301 -0.325 -9.288 365 HZ1 LYS 28 HZ1 LYS 28 -9.671 0.444 -9.372 366 HZ2 LYS 28 HZ2 LYS 28 -9.146 1.979 -9.635 367 HZ3 LYS 28 HZ3 LYS 28 -8.816 1.257 -8.232 368 HA PRO 29 HA PRO 29 -6.593 5.457 -4.244 369 HB2 PRO 29 HB2 PRO 29 -7.676 7.780 -5.169 370 HB3 PRO 29 HB3 PRO 29 -5.942 7.617 -4.754 371 HG2 PRO 29 HG2 PRO 29 -7.228 7.379 -7.503 372 HG3 PRO 29 HG3 PRO 29 -5.817 8.383 -7.028 373 HD2 PRO 29 HD2 PRO 29 -5.522 5.938 -8.163 374 HD3 PRO 29 HD3 PRO 29 -4.413 6.490 -6.878 375 H THR 30 H THR 30 -7.947 4.659 -7.378 376 HA THR 30 HA THR 30 -10.742 4.921 -6.517 377 HB THR 30 HB THR 30 -11.242 4.070 -8.814 378 HG1 THR 30 HG1 THR 30 -9.367 4.291 -10.244 379 HG21 THR 30 HG21 THR 30 -10.631 6.145 -9.926 380 HG22 THR 30 HG22 THR 30 -9.393 6.492 -8.693 381 HG23 THR 30 HG23 THR 30 -11.118 6.491 -8.259 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 2.255 3.782 -1.607 2 H2 GLY 1 H2 GLY 1 1.035 4.851 -1.831 3 H3 GLY 1 H3 GLY 1 2.583 5.289 -2.146 4 HA2 GLY 1 HA2 GLY 1 1.049 3.242 -3.625 5 HA3 GLY 1 HA3 GLY 1 1.395 4.879 -4.211 6 H ILE 2 H ILE 2 2.169 2.117 -5.215 7 HA ILE 2 HA ILE 2 4.829 1.536 -4.598 8 HB ILE 2 HB ILE 2 3.225 -0.034 -5.519 9 HG12 ILE 2 HG12 ILE 2 5.799 0.170 -7.139 10 HG13 ILE 2 HG13 ILE 2 5.646 -0.468 -5.505 11 HG21 ILE 2 HG21 ILE 2 3.658 1.365 -8.194 12 HG22 ILE 2 HG22 ILE 2 2.715 -0.119 -7.907 13 HG23 ILE 2 HG23 ILE 2 2.186 1.423 -7.223 14 HD11 ILE 2 HD11 ILE 2 4.587 -1.631 -8.084 15 HD12 ILE 2 HD12 ILE 2 5.758 -2.294 -6.920 16 HD13 ILE 2 HD13 ILE 2 4.039 -2.185 -6.485 17 H VAL 3 H VAL 3 3.758 3.944 -6.926 18 HA VAL 3 HA VAL 3 6.180 4.205 -8.403 19 HB VAL 3 HB VAL 3 4.122 6.290 -7.597 20 HG11 VAL 3 HG11 VAL 3 6.209 7.449 -8.277 21 HG12 VAL 3 HG12 VAL 3 6.237 6.483 -9.778 22 HG13 VAL 3 HG13 VAL 3 4.928 7.639 -9.480 23 HG21 VAL 3 HG21 VAL 3 4.534 4.666 -10.155 24 HG22 VAL 3 HG22 VAL 3 3.218 4.456 -8.982 25 HG23 VAL 3 HG23 VAL 3 3.317 5.939 -9.936 26 H GLU 4 H GLU 4 5.346 5.330 -5.133 27 HA GLU 4 HA GLU 4 7.856 6.776 -4.762 28 HB2 GLU 4 HB2 GLU 4 5.657 7.351 -3.705 29 HB3 GLU 4 HB3 GLU 4 5.806 5.910 -2.695 30 HG2 GLU 4 HG2 GLU 4 7.837 6.820 -1.647 31 HG3 GLU 4 HG3 GLU 4 7.855 8.174 -2.787 32 H GLN 5 H GLN 5 6.929 3.456 -4.612 33 HA GLN 5 HA GLN 5 9.117 2.660 -2.800 34 HB2 GLN 5 HB2 GLN 5 6.935 1.494 -2.682 35 HB3 GLN 5 HB3 GLN 5 7.143 0.914 -4.342 36 HG2 GLN 5 HG2 GLN 5 7.754 -0.812 -2.728 37 HG3 GLN 5 HG3 GLN 5 9.113 -0.348 -3.720 38 HE21 GLN 5 HE21 GLN 5 10.949 0.821 -2.688 39 HE22 GLN 5 HE22 GLN 5 11.065 0.778 -0.939 40 H CYS 6 H CYS 6 8.257 2.259 -6.253 41 HA CYS 6 HA CYS 6 10.961 1.091 -6.764 42 HB2 CYS 6 HB2 CYS 6 8.290 0.849 -8.164 43 HB3 CYS 6 HB3 CYS 6 9.783 0.136 -8.755 44 H CYS 7 H CYS 7 8.889 3.824 -7.911 45 HA CYS 7 HA CYS 7 10.607 4.139 -10.288 46 HB2 CYS 7 HB2 CYS 7 8.113 4.573 -10.247 47 HB3 CYS 7 HB3 CYS 7 8.464 6.023 -9.304 48 H THR 8 H THR 8 9.915 6.009 -7.287 49 HA THR 8 HA THR 8 12.164 7.842 -7.778 50 HB THR 8 HB THR 8 11.378 9.010 -5.811 51 HG1 THR 8 HG1 THR 8 9.750 8.254 -4.602 52 HG21 THR 8 HG21 THR 8 8.961 8.205 -7.488 53 HG22 THR 8 HG22 THR 8 10.179 9.409 -7.980 54 HG23 THR 8 HG23 THR 8 9.174 9.697 -6.554 55 H SER 9 H SER 9 11.913 4.847 -6.229 56 HA SER 9 HA SER 9 14.544 5.181 -4.922 57 HB2 SER 9 HB2 SER 9 12.680 5.660 -3.246 58 HB3 SER 9 HB3 SER 9 12.209 3.953 -3.411 59 HG SER 9 HG SER 9 13.714 4.389 -1.668 60 H ILE 10 H ILE 10 15.283 2.985 -4.051 61 HA ILE 10 HA ILE 10 15.102 0.936 -6.135 62 HB ILE 10 HB ILE 10 16.588 1.213 -3.518 63 HG12 ILE 10 HG12 ILE 10 17.454 0.850 -6.424 64 HG13 ILE 10 HG13 ILE 10 17.405 2.376 -5.544 65 HG21 ILE 10 HG21 ILE 10 17.664 -1.017 -3.957 66 HG22 ILE 10 HG22 ILE 10 15.983 -1.127 -3.477 67 HG23 ILE 10 HG23 ILE 10 16.419 -1.321 -5.181 68 HD11 ILE 10 HD11 ILE 10 19.293 0.053 -5.038 69 HD12 ILE 10 HD12 ILE 10 19.674 1.671 -5.617 70 HD13 ILE 10 HD13 ILE 10 19.122 1.450 -3.939 71 H CYS 11 H CYS 11 14.018 -1.019 -6.092 72 HA CYS 11 HA CYS 11 12.748 -1.860 -3.581 73 HB2 CYS 11 HB2 CYS 11 10.605 -2.175 -4.432 74 HB3 CYS 11 HB3 CYS 11 11.078 -0.545 -4.889 75 H SER 12 H SER 12 12.005 -4.061 -3.625 76 HA SER 12 HA SER 12 13.316 -5.932 -5.501 77 HB2 SER 12 HB2 SER 12 13.830 -5.849 -2.496 78 HB3 SER 12 HB3 SER 12 14.276 -7.201 -3.541 79 HG SER 12 HG SER 12 15.519 -5.708 -4.783 80 H LEU 13 H LEU 13 12.683 -8.261 -4.798 81 HA LEU 13 HA LEU 13 9.962 -8.620 -5.004 82 HB2 LEU 13 HB2 LEU 13 10.354 -10.919 -4.779 83 HB3 LEU 13 HB3 LEU 13 11.765 -10.225 -5.532 84 HG LEU 13 HG LEU 13 12.687 -10.224 -2.990 85 HD11 LEU 13 HD11 LEU 13 10.591 -11.172 -1.982 86 HD12 LEU 13 HD12 LEU 13 11.957 -12.275 -1.815 87 HD13 LEU 13 HD13 LEU 13 10.720 -12.568 -3.056 88 HD21 LEU 13 HD21 LEU 13 13.746 -11.378 -4.858 89 HD22 LEU 13 HD22 LEU 13 12.538 -12.689 -4.768 90 HD23 LEU 13 HD23 LEU 13 13.692 -12.430 -3.436 91 H TYR 14 H TYR 14 11.799 -8.314 -2.024 92 HA TYR 14 HA TYR 14 9.725 -9.158 -0.227 93 HB2 TYR 14 HB2 TYR 14 12.075 -7.303 0.305 94 HB3 TYR 14 HB3 TYR 14 11.136 -8.175 1.510 95 HD1 TYR 14 HD2 TYR 14 11.097 -10.766 1.384 96 HD2 TYR 14 HD1 TYR 14 14.033 -8.314 -0.617 97 HE1 TYR 14 HE2 TYR 14 12.639 -12.729 1.212 98 HE2 TYR 14 HE1 TYR 14 15.553 -10.271 -0.800 99 HH TYR 14 HH TYR 14 15.866 -12.493 -0.324 100 H GLN 15 H GLN 15 10.162 -6.184 -1.945 101 HA GLN 15 HA GLN 15 8.049 -4.821 -0.309 102 HB2 GLN 15 HB2 GLN 15 9.896 -3.679 -2.436 103 HB3 GLN 15 HB3 GLN 15 8.699 -2.780 -1.511 104 HG2 GLN 15 HG2 GLN 15 11.168 -4.154 -0.352 105 HG3 GLN 15 HG3 GLN 15 10.989 -2.441 -0.680 106 HE21 GLN 15 HE21 GLN 15 11.749 -3.092 1.844 107 HE22 GLN 15 HE22 GLN 15 10.402 -2.849 2.947 108 H LEU 16 H LEU 16 8.806 -6.044 -3.578 109 HA LEU 16 HA LEU 16 6.475 -5.036 -4.872 110 HB2 LEU 16 HB2 LEU 16 8.337 -7.361 -5.377 111 HB3 LEU 16 HB3 LEU 16 7.019 -7.022 -6.472 112 HG LEU 16 HG LEU 16 9.103 -4.909 -5.777 113 HD11 LEU 16 HD11 LEU 16 10.270 -6.828 -6.789 114 HD12 LEU 16 HD12 LEU 16 10.218 -5.454 -7.902 115 HD13 LEU 16 HD13 LEU 16 9.116 -6.829 -8.143 116 HD21 LEU 16 HD21 LEU 16 6.972 -4.132 -6.812 117 HD22 LEU 16 HD22 LEU 16 7.267 -5.243 -8.166 118 HD23 LEU 16 HD23 LEU 16 8.367 -3.889 -7.879 119 H GLU 17 H GLU 17 6.899 -8.113 -3.025 120 HA GLU 17 HA GLU 17 4.279 -9.128 -3.511 121 HB2 GLU 17 HB2 GLU 17 6.170 -9.443 -1.139 122 HB3 GLU 17 HB3 GLU 17 4.618 -10.279 -1.261 123 HG2 GLU 17 HG2 GLU 17 5.356 -11.147 -3.521 124 HG3 GLU 17 HG3 GLU 17 6.975 -10.581 -3.140 125 H ASN 18 H ASN 18 5.078 -6.286 -1.649 126 HA ASN 18 HA ASN 18 2.891 -6.362 0.198 127 HB2 ASN 18 HB2 ASN 18 5.104 -4.920 0.070 128 HB3 ASN 18 HB3 ASN 18 4.123 -3.825 -0.912 129 HD21 ASN 18 HD21 ASN 18 4.486 -5.406 2.236 130 HD22 ASN 18 HD22 ASN 18 3.482 -4.264 3.115 131 H TYR 19 H TYR 19 2.911 -5.854 -3.207 132 HA TYR 19 HA TYR 19 0.310 -4.387 -3.172 133 HB2 TYR 19 HB2 TYR 19 2.322 -4.510 -5.425 134 HB3 TYR 19 HB3 TYR 19 0.930 -3.456 -5.286 135 HD1 TYR 19 HD2 TYR 19 0.881 -1.713 -3.406 136 HD2 TYR 19 HD1 TYR 19 4.425 -3.893 -4.530 137 HE1 TYR 19 HE2 TYR 19 2.291 -0.069 -2.153 138 HE2 TYR 19 HE1 TYR 19 5.825 -2.269 -3.266 139 HH TYR 19 HH TYR 19 5.820 -0.442 -1.857 140 H CYS 20 H CYS 20 0.677 -7.319 -2.896 141 HA CYS 20 HA CYS 20 -1.005 -8.241 -5.178 142 HB2 CYS 20 HB2 CYS 20 1.312 -9.657 -3.827 143 HB3 CYS 20 HB3 CYS 20 0.232 -10.393 -5.016 144 H ASN 21 H ASN 21 -2.349 -10.020 -4.806 145 HA ASN 21 HA ASN 21 -3.512 -10.065 -2.060 146 HB2 ASN 21 HB2 ASN 21 -5.565 -10.818 -3.127 147 HB3 ASN 21 HB3 ASN 21 -4.987 -9.343 -3.883 148 HD21 ASN 21 HD21 ASN 21 -4.629 -12.851 -4.236 149 HD22 ASN 21 HD22 ASN 21 -4.600 -12.867 -6.006 150 H1 PHE 1 H1 PHE 1 16.404 -12.107 -8.701 151 H2 PHE 1 H2 PHE 1 16.510 -11.597 -10.250 152 H3 PHE 1 H3 PHE 1 15.145 -12.331 -9.729 153 HA PHE 1 HA PHE 1 14.803 -9.967 -9.928 154 HB2 PHE 1 HB2 PHE 1 14.799 -10.946 -7.046 155 HB3 PHE 1 HB3 PHE 1 13.932 -9.541 -7.644 156 HD1 PHE 1 HD2 PHE 1 12.309 -9.930 -9.689 157 HD2 PHE 1 HD1 PHE 1 13.639 -13.042 -7.002 158 HE1 PHE 1 HE2 PHE 1 10.405 -11.354 -10.382 159 HE2 PHE 1 HE1 PHE 1 11.715 -14.451 -7.689 160 HZ PHE 1 HZ PHE 1 10.099 -13.613 -9.388 161 H VAL 2 H VAL 2 15.136 -7.851 -8.612 162 HA VAL 2 HA VAL 2 18.085 -7.385 -8.365 163 HB VAL 2 HB VAL 2 17.816 -5.325 -9.642 164 HG11 VAL 2 HG11 VAL 2 16.746 -7.692 -11.231 165 HG12 VAL 2 HG12 VAL 2 17.627 -6.278 -11.847 166 HG13 VAL 2 HG13 VAL 2 18.451 -7.437 -10.793 167 HG21 VAL 2 HG21 VAL 2 14.961 -6.217 -10.226 168 HG22 VAL 2 HG22 VAL 2 15.424 -4.825 -9.223 169 HG23 VAL 2 HG23 VAL 2 15.811 -4.841 -10.949 170 H ASN 3 H ASN 3 18.630 -5.230 -7.580 171 HA ASN 3 HA ASN 3 16.746 -4.013 -5.625 172 HB2 ASN 3 HB2 ASN 3 18.803 -3.484 -4.221 173 HB3 ASN 3 HB3 ASN 3 18.214 -5.141 -4.192 174 HD21 ASN 3 HD21 ASN 3 20.607 -3.188 -6.068 175 HD22 ASN 3 HD22 ASN 3 21.836 -4.461 -6.034 176 H GLN 4 H GLN 4 16.135 -2.847 -7.493 177 HA GLN 4 HA GLN 4 17.944 -0.626 -8.306 178 HB2 GLN 4 HB2 GLN 4 18.048 -2.800 -9.784 179 HB3 GLN 4 HB3 GLN 4 16.418 -2.362 -10.279 180 HG2 GLN 4 HG2 GLN 4 17.510 -0.058 -10.991 181 HG3 GLN 4 HG3 GLN 4 19.037 -0.906 -10.798 182 HE21 GLN 4 HE21 GLN 4 15.908 -0.862 -12.558 183 HE22 GLN 4 HE22 GLN 4 16.507 -1.804 -13.930 184 H HIS 5 H HIS 5 16.728 1.011 -9.650 185 HA HIS 5 HA HIS 5 13.972 1.495 -8.743 186 HB2 HIS 5 HB2 HIS 5 15.763 2.892 -10.773 187 HB3 HIS 5 HB3 HIS 5 14.090 3.335 -10.483 188 HD1 HIS 5 HD1 HIS 5 14.028 5.476 -9.090 189 HD2 HIS 5 HD2 HIS 5 17.087 2.798 -7.999 190 HE1 HIS 5 HE1 HIS 5 15.367 6.619 -7.236 191 H LEU 6 H LEU 6 12.178 1.188 -9.948 192 HA LEU 6 HA LEU 6 12.247 0.023 -12.682 193 HB2 LEU 6 HB2 LEU 6 10.773 -1.220 -10.315 194 HB3 LEU 6 HB3 LEU 6 10.627 -1.739 -11.987 195 HG LEU 6 HG LEU 6 13.218 -1.878 -10.401 196 HD11 LEU 6 HD11 LEU 6 11.150 -4.008 -10.908 197 HD12 LEU 6 HD12 LEU 6 11.556 -3.289 -9.342 198 HD13 LEU 6 HD13 LEU 6 12.750 -4.288 -10.187 199 HD21 LEU 6 HD21 LEU 6 12.392 -3.331 -12.949 200 HD22 LEU 6 HD22 LEU 6 13.965 -3.419 -12.139 201 HD23 LEU 6 HD23 LEU 6 13.465 -1.913 -12.917 202 H CYS 7 H CYS 7 10.843 1.269 -13.869 203 HA CYS 7 HA CYS 7 8.403 2.335 -12.538 204 HB2 CYS 7 HB2 CYS 7 10.397 3.944 -12.578 205 HB3 CYS 7 HB3 CYS 7 10.117 4.075 -14.310 206 H GLY 8 H GLY 8 6.658 2.857 -13.913 207 HA2 GLY 8 HA2 GLY 8 5.210 2.475 -15.681 208 HA3 GLY 8 HA3 GLY 8 6.616 2.606 -16.738 209 H SER 9 H SER 9 6.885 0.836 -18.001 210 HA SER 9 HA SER 9 5.503 -1.645 -17.686 211 HB2 SER 9 HB2 SER 9 7.016 -2.410 -19.501 212 HB3 SER 9 HB3 SER 9 6.153 -0.902 -19.851 213 HG SER 9 HG SER 9 8.390 -0.789 -20.405 214 H HIS 10 H HIS 10 8.742 -0.629 -16.593 215 HA HIS 10 HA HIS 10 9.720 -3.301 -16.016 216 HB2 HIS 10 HB2 HIS 10 10.555 -0.551 -15.001 217 HB3 HIS 10 HB3 HIS 10 11.384 -2.039 -14.596 218 HD1 HIS 10 HD1 HIS 10 13.156 -2.916 -16.307 219 HD2 HIS 10 HD2 HIS 10 10.688 0.195 -17.712 220 HE1 HIS 10 HE1 HIS 10 14.162 -2.155 -18.509 221 H LEU 11 H LEU 11 7.965 -0.847 -14.178 222 HA LEU 11 HA LEU 11 8.172 -2.048 -11.581 223 HB2 LEU 11 HB2 LEU 11 7.661 0.262 -11.963 224 HB3 LEU 11 HB3 LEU 11 6.194 -0.088 -12.840 225 HG LEU 11 HG LEU 11 6.442 -0.989 -9.964 226 HD11 LEU 11 HD11 LEU 11 7.155 1.428 -10.086 227 HD12 LEU 11 HD12 LEU 11 5.630 1.219 -9.227 228 HD13 LEU 11 HD13 LEU 11 5.625 1.812 -10.901 229 HD21 LEU 11 HD21 LEU 11 4.399 -1.685 -11.114 230 HD22 LEU 11 HD22 LEU 11 4.126 -0.028 -11.718 231 HD23 LEU 11 HD23 LEU 11 3.984 -0.390 -9.995 232 H VAL 12 H VAL 12 5.593 -2.222 -14.122 233 HA VAL 12 HA VAL 12 4.004 -4.051 -12.518 234 HB VAL 12 HB VAL 12 2.576 -4.302 -14.474 235 HG11 VAL 12 HG11 VAL 12 1.715 -2.019 -14.447 236 HG12 VAL 12 HG12 VAL 12 2.310 -2.432 -12.826 237 HG13 VAL 12 HG13 VAL 12 3.281 -1.389 -13.887 238 HG21 VAL 12 HG21 VAL 12 4.163 -4.062 -16.334 239 HG22 VAL 12 HG22 VAL 12 2.848 -2.891 -16.459 240 HG23 VAL 12 HG23 VAL 12 4.441 -2.364 -15.879 241 H GLU 13 H GLU 13 6.331 -4.555 -15.175 242 HA GLU 13 HA GLU 13 5.775 -7.354 -15.503 243 HB2 GLU 13 HB2 GLU 13 6.998 -5.967 -17.140 244 HB3 GLU 13 HB3 GLU 13 8.353 -5.806 -16.004 245 HG2 GLU 13 HG2 GLU 13 8.729 -8.244 -16.094 246 HG3 GLU 13 HG3 GLU 13 7.317 -8.447 -17.125 247 H ALA 14 H ALA 14 8.141 -5.630 -13.394 248 HA ALA 14 HA ALA 14 9.210 -8.018 -12.214 249 HB1 ALA 14 HB1 ALA 14 10.154 -6.438 -10.583 250 HB2 ALA 14 HB2 ALA 14 10.352 -5.844 -12.240 251 HB3 ALA 14 HB3 ALA 14 9.083 -5.150 -11.201 252 H LEU 15 H LEU 15 6.576 -5.791 -11.117 253 HA LEU 15 HA LEU 15 5.972 -7.090 -8.678 254 HB2 LEU 15 HB2 LEU 15 5.245 -4.841 -9.183 255 HB3 LEU 15 HB3 LEU 15 4.412 -5.379 -10.650 256 HG LEU 15 HG LEU 15 2.754 -6.549 -9.315 257 HD11 LEU 15 HD11 LEU 15 4.190 -5.334 -6.913 258 HD12 LEU 15 HD12 LEU 15 4.088 -7.072 -7.296 259 HD13 LEU 15 HD13 LEU 15 2.631 -6.188 -6.884 260 HD21 LEU 15 HD21 LEU 15 1.640 -4.545 -8.393 261 HD22 LEU 15 HD22 LEU 15 2.382 -4.192 -9.967 262 HD23 LEU 15 HD23 LEU 15 3.166 -3.650 -8.473 263 H TYR 16 H TYR 16 4.661 -7.643 -11.967 264 HA TYR 16 HA TYR 16 2.877 -9.776 -11.254 265 HB2 TYR 16 HB2 TYR 16 2.697 -8.412 -13.283 266 HB3 TYR 16 HB3 TYR 16 4.254 -8.989 -13.846 267 HD1 TYR 16 HD2 TYR 16 1.614 -11.218 -12.365 268 HD2 TYR 16 HD1 TYR 16 3.506 -9.743 -15.950 269 HE1 TYR 16 HE2 TYR 16 0.465 -12.973 -13.702 270 HE2 TYR 16 HE1 TYR 16 2.380 -11.522 -17.282 271 HH TYR 16 HH TYR 16 0.959 -13.319 -17.239 272 H LEU 17 H LEU 17 6.285 -9.820 -12.472 273 HA LEU 17 HA LEU 17 6.471 -12.672 -12.552 274 HB2 LEU 17 HB2 LEU 17 7.897 -11.084 -13.826 275 HB3 LEU 17 HB3 LEU 17 8.644 -10.555 -12.318 276 HG LEU 17 HG LEU 17 9.548 -12.878 -11.994 277 HD11 LEU 17 HD11 LEU 17 7.941 -14.205 -13.276 278 HD12 LEU 17 HD12 LEU 17 9.557 -14.417 -13.949 279 HD13 LEU 17 HD13 LEU 17 8.391 -13.353 -14.773 280 HD21 LEU 17 HD21 LEU 17 10.887 -11.110 -13.081 281 HD22 LEU 17 HD22 LEU 17 10.241 -11.595 -14.668 282 HD23 LEU 17 HD23 LEU 17 11.265 -12.710 -13.735 283 H VAL 18 H VAL 18 7.052 -10.357 -9.914 284 HA VAL 18 HA VAL 18 8.219 -12.305 -8.068 285 HB VAL 18 HB VAL 18 7.049 -9.515 -7.752 286 HG11 VAL 18 HG11 VAL 18 7.838 -9.603 -5.375 287 HG12 VAL 18 HG12 VAL 18 6.433 -10.607 -5.677 288 HG13 VAL 18 HG13 VAL 18 8.040 -11.357 -5.531 289 HG21 VAL 18 HG21 VAL 18 9.376 -9.003 -7.112 290 HG22 VAL 18 HG22 VAL 18 9.816 -10.714 -7.267 291 HG23 VAL 18 HG23 VAL 18 9.343 -9.775 -8.693 292 H CYS 19 H CYS 19 4.885 -11.034 -8.646 293 HA CYS 19 HA CYS 19 3.874 -12.750 -6.534 294 HB2 CYS 19 HB2 CYS 19 2.569 -10.818 -8.415 295 HB3 CYS 19 HB3 CYS 19 1.704 -11.743 -7.162 296 H GLY 20 H GLY 20 4.452 -13.273 -9.910 297 HA2 GLY 20 HA2 GLY 20 4.239 -15.149 -11.180 298 HA3 GLY 20 HA3 GLY 20 4.354 -16.033 -9.658 299 H GLU 21 H GLU 21 1.880 -14.049 -11.297 300 HA GLU 21 HA GLU 21 -0.325 -14.302 -11.716 301 HB2 GLU 21 HB2 GLU 21 0.198 -17.290 -11.805 302 HB3 GLU 21 HB3 GLU 21 -1.209 -16.447 -12.438 303 HG2 GLU 21 HG2 GLU 21 0.162 -15.236 -14.060 304 HG3 GLU 21 HG3 GLU 21 1.632 -15.990 -13.432 305 H ARG 22 H ARG 22 0.666 -14.660 -8.705 306 HA ARG 22 HA ARG 22 -1.734 -15.782 -7.458 307 HB2 ARG 22 HB2 ARG 22 0.430 -13.899 -6.443 308 HB3 ARG 22 HB3 ARG 22 -0.945 -14.399 -5.459 309 HG2 ARG 22 HG2 ARG 22 -0.362 -16.746 -5.643 310 HG3 ARG 22 HG3 ARG 22 0.983 -16.402 -6.719 311 HD2 ARG 22 HD2 ARG 22 0.791 -15.235 -3.911 312 HD3 ARG 22 HD3 ARG 22 1.519 -16.820 -4.237 313 HE ARG 22 HE ARG 22 2.816 -15.146 -6.002 314 HH11 ARG 22 HH11 ARG 22 2.470 -14.986 -2.476 315 HH12 ARG 22 HH12 ARG 22 4.065 -14.236 -2.334 316 HH21 ARG 22 HH21 ARG 22 4.964 -14.281 -5.533 317 HH22 ARG 22 HH22 ARG 22 5.263 -13.879 -3.845 318 H GLY 23 H GLY 23 -1.013 -12.705 -8.860 319 HA2 GLY 23 HA2 GLY 23 -2.841 -11.292 -9.653 320 HA3 GLY 23 HA3 GLY 23 -3.743 -11.651 -8.185 321 H PHE 24 H PHE 24 -2.365 -9.229 -9.600 322 HA PHE 24 HA PHE 24 -1.256 -7.896 -7.183 323 HB2 PHE 24 HB2 PHE 24 0.594 -7.070 -8.418 324 HB3 PHE 24 HB3 PHE 24 0.554 -8.817 -8.643 325 HD1 PHE 24 HD1 PHE 24 -0.195 -9.809 -10.829 326 HD2 PHE 24 HD2 PHE 24 0.343 -5.566 -10.301 327 HE1 PHE 24 HE1 PHE 24 -0.275 -9.485 -13.290 328 HE2 PHE 24 HE2 PHE 24 0.376 -5.261 -12.761 329 HZ PHE 24 HZ PHE 24 0.047 -7.218 -14.262 330 H PHE 25 H PHE 25 -1.198 -5.546 -7.307 331 HA PHE 25 HA PHE 25 -2.613 -4.231 -9.528 332 HB2 PHE 25 HB2 PHE 25 -4.454 -4.659 -7.987 333 HB3 PHE 25 HB3 PHE 25 -3.524 -3.997 -6.641 334 HD1 PHE 25 HD2 PHE 25 -4.912 -3.039 -10.022 335 HD2 PHE 25 HD1 PHE 25 -3.724 -1.707 -6.090 336 HE1 PHE 25 HE2 PHE 25 -5.754 -0.764 -10.527 337 HE2 PHE 25 HE1 PHE 25 -4.589 0.563 -6.603 338 HZ PHE 25 HZ PHE 25 -5.596 1.039 -8.831 339 H TYR 26 H TYR 26 -1.697 -2.293 -10.028 340 HA TYR 26 HA TYR 26 0.591 -1.388 -8.407 341 HB2 TYR 26 HB2 TYR 26 0.950 0.100 -10.453 342 HB3 TYR 26 HB3 TYR 26 1.262 -1.616 -10.536 343 HD1 TYR 26 HD2 TYR 26 -1.133 1.041 -11.625 344 HD2 TYR 26 HD1 TYR 26 0.022 -3.087 -11.981 345 HE1 TYR 26 HE2 TYR 26 -2.576 0.822 -13.641 346 HE2 TYR 26 HE1 TYR 26 -1.429 -3.320 -13.991 347 HH TYR 26 HH TYR 26 -3.343 -0.578 -15.293 348 H THR 27 H THR 27 0.263 -0.030 -6.868 349 HA THR 27 HA THR 27 -2.063 1.690 -6.686 350 HB THR 27 HB THR 27 -1.147 2.179 -4.420 351 HG1 THR 27 HG1 THR 27 0.617 0.714 -3.843 352 HG21 THR 27 HG21 THR 27 -2.605 0.199 -4.843 353 HG22 THR 27 HG22 THR 27 -1.437 -0.085 -3.543 354 HG23 THR 27 HG23 THR 27 -1.157 -0.792 -5.148 355 H LYS 28 H LYS 28 -1.082 2.681 -8.809 356 HA LYS 28 HA LYS 28 0.927 4.734 -8.556 357 HB2 LYS 28 HB2 LYS 28 -1.202 4.278 -10.680 358 HB3 LYS 28 HB3 LYS 28 0.112 5.447 -10.813 359 HG2 LYS 28 HG2 LYS 28 1.783 3.630 -10.662 360 HG3 LYS 28 HG3 LYS 28 0.483 2.440 -10.515 361 HD2 LYS 28 HD2 LYS 28 -0.385 3.129 -12.755 362 HD3 LYS 28 HD3 LYS 28 0.967 4.270 -12.903 363 HE2 LYS 28 HE2 LYS 28 2.592 2.426 -12.755 364 HE3 LYS 28 HE3 LYS 28 1.286 1.259 -12.490 365 HZ1 LYS 28 HZ1 LYS 28 1.990 1.276 -14.815 366 HZ2 LYS 28 HZ2 LYS 28 1.643 2.864 -14.970 367 HZ3 LYS 28 HZ3 LYS 28 0.443 1.781 -14.719 368 HA PRO 29 HA PRO 29 -1.346 8.195 -6.925 369 HB2 PRO 29 HB2 PRO 29 0.045 9.840 -9.037 370 HB3 PRO 29 HB3 PRO 29 -0.125 10.164 -7.279 371 HG2 PRO 29 HG2 PRO 29 2.203 9.183 -8.250 372 HG3 PRO 29 HG3 PRO 29 1.510 8.494 -6.743 373 HD2 PRO 29 HD2 PRO 29 1.323 7.405 -9.571 374 HD3 PRO 29 HD3 PRO 29 1.723 6.559 -8.039 375 H THR 30 H THR 30 -3.048 9.676 -7.343 376 HA THR 30 HA THR 30 -4.370 9.626 -10.020 377 HB THR 30 HB THR 30 -6.564 9.463 -8.816 378 HG1 THR 30 HG1 THR 30 -5.629 9.941 -6.735 379 HG21 THR 30 HG21 THR 30 -5.569 7.522 -9.991 380 HG22 THR 30 HG22 THR 30 -6.519 7.043 -8.573 381 HG23 THR 30 HG23 THR 30 -4.749 7.040 -8.491 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 0.955 3.446 -2.376 2 H2 GLY 1 H2 GLY 1 -0.230 4.487 -2.834 3 H3 GLY 1 H3 GLY 1 1.334 4.990 -2.807 4 HA2 GLY 1 HA2 GLY 1 0.209 2.932 -4.603 5 HA3 GLY 1 HA3 GLY 1 0.638 4.598 -5.064 6 H ILE 2 H ILE 2 1.632 1.735 -5.758 7 HA ILE 2 HA ILE 2 4.237 1.355 -4.789 8 HB ILE 2 HB ILE 2 2.891 -0.342 -5.894 9 HG12 ILE 2 HG12 ILE 2 5.571 0.067 -7.295 10 HG13 ILE 2 HG13 ILE 2 5.379 -0.502 -5.639 11 HG21 ILE 2 HG21 ILE 2 1.981 1.091 -7.726 12 HG22 ILE 2 HG22 ILE 2 3.555 1.065 -8.514 13 HG23 ILE 2 HG23 ILE 2 2.634 -0.445 -8.302 14 HD11 ILE 2 HD11 ILE 2 5.728 -2.408 -6.924 15 HD12 ILE 2 HD12 ILE 2 3.979 -2.396 -6.632 16 HD13 ILE 2 HD13 ILE 2 4.623 -1.880 -8.209 17 H VAL 3 H VAL 3 3.302 3.632 -7.287 18 HA VAL 3 HA VAL 3 5.807 4.069 -8.529 19 HB VAL 3 HB VAL 3 3.607 6.047 -7.830 20 HG11 VAL 3 HG11 VAL 3 5.784 6.279 -9.956 21 HG12 VAL 3 HG12 VAL 3 4.437 7.408 -9.714 22 HG13 VAL 3 HG13 VAL 3 5.686 7.267 -8.471 23 HG21 VAL 3 HG21 VAL 3 2.773 4.196 -9.217 24 HG22 VAL 3 HG22 VAL 3 2.882 5.674 -10.168 25 HG23 VAL 3 HG23 VAL 3 4.125 4.416 -10.353 26 H GLU 4 H GLU 4 4.667 5.069 -5.330 27 HA GLU 4 HA GLU 4 6.876 6.824 -4.656 28 HB2 GLU 4 HB2 GLU 4 4.966 5.289 -2.855 29 HB3 GLU 4 HB3 GLU 4 5.975 6.648 -2.385 30 HG2 GLU 4 HG2 GLU 4 4.728 8.179 -3.796 31 HG3 GLU 4 HG3 GLU 4 3.772 6.868 -4.483 32 H GLN 5 H GLN 5 6.497 3.358 -4.718 33 HA GLN 5 HA GLN 5 8.759 2.837 -2.897 34 HB2 GLN 5 HB2 GLN 5 6.491 1.568 -3.004 35 HB3 GLN 5 HB3 GLN 5 7.108 0.789 -4.431 36 HG2 GLN 5 HG2 GLN 5 7.717 -0.735 -2.825 37 HG3 GLN 5 HG3 GLN 5 9.217 0.200 -2.950 38 HE21 GLN 5 HE22 GLN 5 6.072 0.281 -1.207 39 HE22 GLN 5 HE21 GLN 5 6.749 0.959 0.262 40 H CYS 6 H CYS 6 7.851 2.128 -6.312 41 HA CYS 6 HA CYS 6 10.615 1.175 -6.805 42 HB2 CYS 6 HB2 CYS 6 8.140 0.879 -8.517 43 HB3 CYS 6 HB3 CYS 6 9.674 0.045 -8.674 44 H CYS 7 H CYS 7 8.507 3.798 -8.066 45 HA CYS 7 HA CYS 7 10.278 4.175 -10.375 46 HB2 CYS 7 HB2 CYS 7 7.771 4.586 -10.312 47 HB3 CYS 7 HB3 CYS 7 8.119 6.050 -9.398 48 H THR 8 H THR 8 9.558 6.023 -7.392 49 HA THR 8 HA THR 8 11.769 7.890 -7.884 50 HB THR 8 HB THR 8 9.458 8.495 -7.115 51 HG1 THR 8 HG1 THR 8 11.074 9.999 -6.953 52 HG21 THR 8 HG21 THR 8 10.445 7.616 -4.373 53 HG22 THR 8 HG22 THR 8 9.201 6.790 -5.340 54 HG23 THR 8 HG23 THR 8 8.920 8.442 -4.758 55 H SER 9 H SER 9 11.546 4.921 -6.286 56 HA SER 9 HA SER 9 14.193 5.298 -5.027 57 HB2 SER 9 HB2 SER 9 12.387 5.785 -3.303 58 HB3 SER 9 HB3 SER 9 11.922 4.077 -3.427 59 HG SER 9 HG SER 9 13.471 4.529 -1.747 60 H ILE 10 H ILE 10 14.838 3.028 -4.018 61 HA ILE 10 HA ILE 10 14.803 1.075 -6.203 62 HB ILE 10 HB ILE 10 16.158 1.248 -3.508 63 HG12 ILE 10 HG12 ILE 10 17.081 0.948 -6.401 64 HG13 ILE 10 HG13 ILE 10 17.117 2.419 -5.426 65 HG21 ILE 10 HG21 ILE 10 16.052 -1.263 -5.221 66 HG22 ILE 10 HG22 ILE 10 17.181 -0.998 -3.876 67 HG23 ILE 10 HG23 ILE 10 15.469 -1.091 -3.558 68 HD11 ILE 10 HD11 ILE 10 18.767 1.257 -3.885 69 HD12 ILE 10 HD12 ILE 10 18.834 -0.067 -5.085 70 HD13 ILE 10 HD13 ILE 10 19.348 1.567 -5.534 71 H CYS 11 H CYS 11 13.754 -0.812 -6.372 72 HA CYS 11 HA CYS 11 11.921 -1.682 -4.204 73 HB2 CYS 11 HB2 CYS 11 11.387 -1.248 -7.083 74 HB3 CYS 11 HB3 CYS 11 10.915 -2.839 -6.494 75 H SER 12 H SER 12 11.793 -3.789 -3.822 76 HA SER 12 HA SER 12 13.714 -5.659 -5.069 77 HB2 SER 12 HB2 SER 12 13.397 -5.192 -2.066 78 HB3 SER 12 HB3 SER 12 14.395 -6.454 -2.817 79 HG SER 12 HG SER 12 15.578 -4.556 -2.191 80 H LEU 13 H LEU 13 13.139 -7.937 -4.491 81 HA LEU 13 HA LEU 13 10.561 -8.856 -4.821 82 HB2 LEU 13 HB2 LEU 13 12.550 -10.260 -4.904 83 HB3 LEU 13 HB3 LEU 13 12.952 -9.903 -3.231 84 HG LEU 13 HG LEU 13 10.963 -11.197 -2.464 85 HD11 LEU 13 HD11 LEU 13 10.730 -11.980 -5.404 86 HD12 LEU 13 HD12 LEU 13 9.555 -11.006 -4.481 87 HD13 LEU 13 HD13 LEU 13 9.824 -12.699 -4.050 88 HD21 LEU 13 HD21 LEU 13 12.867 -12.712 -4.293 89 HD22 LEU 13 HD22 LEU 13 11.904 -13.404 -2.966 90 HD23 LEU 13 HD23 LEU 13 13.187 -12.234 -2.610 91 H TYR 14 H TYR 14 12.124 -8.106 -1.701 92 HA TYR 14 HA TYR 14 9.977 -8.927 -0.057 93 HB2 TYR 14 HB2 TYR 14 12.124 -6.892 0.632 94 HB3 TYR 14 HB3 TYR 14 11.246 -7.921 1.749 95 HD1 TYR 14 HD2 TYR 14 11.451 -10.556 1.268 96 HD2 TYR 14 HD1 TYR 14 14.270 -7.577 -0.098 97 HE1 TYR 14 HE2 TYR 14 13.179 -12.326 0.964 98 HE2 TYR 14 HE1 TYR 14 15.984 -9.353 -0.411 99 HH TYR 14 HH TYR 14 15.318 -12.802 0.337 100 H GLN 15 H GLN 15 10.445 -5.947 -1.781 101 HA GLN 15 HA GLN 15 8.327 -4.479 -0.277 102 HB2 GLN 15 HB2 GLN 15 9.843 -3.524 -2.721 103 HB3 GLN 15 HB3 GLN 15 8.923 -2.578 -1.554 104 HG2 GLN 15 HG2 GLN 15 11.634 -3.916 -1.141 105 HG3 GLN 15 HG3 GLN 15 11.255 -2.199 -1.192 106 HE21 GLN 15 HE21 GLN 15 9.950 -1.280 0.652 107 HE22 GLN 15 HE22 GLN 15 10.094 -2.091 2.207 108 H LEU 16 H LEU 16 9.001 -6.048 -3.383 109 HA LEU 16 HA LEU 16 6.653 -5.184 -4.766 110 HB2 LEU 16 HB2 LEU 16 8.749 -7.324 -5.149 111 HB3 LEU 16 HB3 LEU 16 7.431 -7.164 -6.287 112 HG LEU 16 HG LEU 16 9.340 -4.886 -5.635 113 HD11 LEU 16 HD11 LEU 16 9.353 -6.749 -8.052 114 HD12 LEU 16 HD12 LEU 16 10.533 -6.786 -6.722 115 HD13 LEU 16 HD13 LEU 16 10.429 -5.369 -7.777 116 HD21 LEU 16 HD21 LEU 16 7.353 -5.278 -7.902 117 HD22 LEU 16 HD22 LEU 16 8.490 -3.920 -7.748 118 HD23 LEU 16 HD23 LEU 16 7.202 -4.119 -6.560 119 H GLU 17 H GLU 17 7.275 -8.229 -2.895 120 HA GLU 17 HA GLU 17 4.750 -9.414 -3.507 121 HB2 GLU 17 HB2 GLU 17 6.562 -9.697 -1.081 122 HB3 GLU 17 HB3 GLU 17 5.028 -10.559 -1.233 123 HG2 GLU 17 HG2 GLU 17 5.913 -11.302 -3.568 124 HG3 GLU 17 HG3 GLU 17 7.501 -10.876 -2.931 125 H ASN 18 H ASN 18 5.376 -6.649 -1.483 126 HA ASN 18 HA ASN 18 3.098 -6.780 0.222 127 HB2 ASN 18 HB2 ASN 18 5.286 -5.235 0.140 128 HB3 ASN 18 HB3 ASN 18 4.260 -4.183 -0.833 129 HD21 ASN 18 HD21 ASN 18 4.917 -5.479 2.334 130 HD22 ASN 18 HD22 ASN 18 3.740 -4.497 3.193 131 H TYR 19 H TYR 19 3.319 -6.146 -3.168 132 HA TYR 19 HA TYR 19 0.642 -4.829 -3.282 133 HB2 TYR 19 HB2 TYR 19 2.773 -5.156 -5.394 134 HB3 TYR 19 HB3 TYR 19 1.290 -4.241 -5.568 135 HD1 TYR 19 HD1 TYR 19 0.903 -2.238 -3.973 136 HD2 TYR 19 HD2 TYR 19 4.713 -4.171 -4.536 137 HE1 TYR 19 HE1 TYR 19 2.037 -0.306 -2.888 138 HE2 TYR 19 HE2 TYR 19 5.854 -2.275 -3.418 139 HH TYR 19 HH TYR 19 3.973 0.544 -2.156 140 H CYS 20 H CYS 20 1.806 -8.013 -3.470 141 HA CYS 20 HA CYS 20 0.120 -8.881 -5.693 142 HB2 CYS 20 HB2 CYS 20 1.388 -10.575 -3.538 143 HB3 CYS 20 HB3 CYS 20 0.691 -11.126 -5.069 144 H ASN 21 H ASN 21 -1.701 -10.264 -5.532 145 HA ASN 21 HA ASN 21 -3.733 -9.480 -3.657 146 HB2 ASN 21 HB2 ASN 21 -3.571 -11.777 -5.651 147 HB3 ASN 21 HB3 ASN 21 -5.033 -11.319 -4.789 148 HD21 ASN 21 HD21 ASN 21 -4.399 -11.363 -7.707 149 HD22 ASN 21 HD22 ASN 21 -4.934 -9.756 -8.225 150 H1 PHE 1 H1 PHE 1 16.286 -11.954 -10.072 151 H2 PHE 1 H2 PHE 1 14.979 -12.714 -9.430 152 H3 PHE 1 H3 PHE 1 16.318 -12.453 -8.513 153 HA PHE 1 HA PHE 1 14.569 -10.363 -9.605 154 HB2 PHE 1 HB2 PHE 1 14.863 -11.315 -6.727 155 HB3 PHE 1 HB3 PHE 1 13.898 -9.943 -7.260 156 HD1 PHE 1 HD1 PHE 1 12.080 -10.425 -9.117 157 HD2 PHE 1 HD2 PHE 1 13.792 -13.444 -6.537 158 HE1 PHE 1 HE1 PHE 1 10.154 -11.924 -9.570 159 HE2 PHE 1 HE2 PHE 1 11.845 -14.914 -6.982 160 HZ PHE 1 HZ PHE 1 10.029 -14.166 -8.501 161 H VAL 2 H VAL 2 14.982 -8.212 -8.521 162 HA VAL 2 HA VAL 2 17.907 -7.705 -8.148 163 HB VAL 2 HB VAL 2 17.737 -5.729 -9.577 164 HG11 VAL 2 HG11 VAL 2 16.824 -8.202 -11.084 165 HG12 VAL 2 HG12 VAL 2 17.723 -6.817 -11.735 166 HG13 VAL 2 HG13 VAL 2 18.490 -7.874 -10.533 167 HG21 VAL 2 HG21 VAL 2 15.856 -5.314 -11.060 168 HG22 VAL 2 HG22 VAL 2 14.949 -6.670 -10.351 169 HG23 VAL 2 HG23 VAL 2 15.317 -5.226 -9.369 170 H ASN 3 H ASN 3 18.341 -5.455 -7.419 171 HA ASN 3 HA ASN 3 16.203 -4.247 -5.747 172 HB2 ASN 3 HB2 ASN 3 17.807 -3.632 -4.043 173 HB3 ASN 3 HB3 ASN 3 17.655 -5.374 -4.176 174 HD21 ASN 3 HD21 ASN 3 19.441 -6.529 -5.399 175 HD22 ASN 3 HD22 ASN 3 21.056 -5.843 -5.241 176 H GLN 4 H GLN 4 15.652 -2.828 -7.343 177 HA GLN 4 HA GLN 4 17.617 -0.775 -8.232 178 HB2 GLN 4 HB2 GLN 4 17.650 -2.959 -9.704 179 HB3 GLN 4 HB3 GLN 4 16.043 -2.470 -10.217 180 HG2 GLN 4 HG2 GLN 4 17.232 -0.224 -10.941 181 HG3 GLN 4 HG3 GLN 4 18.730 -1.120 -10.711 182 HE21 GLN 4 HE21 GLN 4 15.662 -0.941 -12.561 183 HE22 GLN 4 HE22 GLN 4 16.237 -1.952 -13.889 184 H HIS 5 H HIS 5 16.538 0.967 -9.532 185 HA HIS 5 HA HIS 5 13.768 1.567 -8.759 186 HB2 HIS 5 HB2 HIS 5 15.703 2.831 -10.737 187 HB3 HIS 5 HB3 HIS 5 14.018 3.305 -10.612 188 HD1 HIS 5 HD1 HIS 5 13.765 5.453 -9.234 189 HD2 HIS 5 HD2 HIS 5 16.861 2.908 -7.944 190 HE1 HIS 5 HE1 HIS 5 14.974 6.686 -7.351 191 H LEU 6 H LEU 6 11.991 1.244 -9.974 192 HA LEU 6 HA LEU 6 12.065 -0.026 -12.665 193 HB2 LEU 6 HB2 LEU 6 10.653 -1.209 -10.223 194 HB3 LEU 6 HB3 LEU 6 10.449 -1.778 -11.867 195 HG LEU 6 HG LEU 6 13.122 -1.858 -10.411 196 HD11 LEU 6 HD11 LEU 6 11.547 -3.168 -9.136 197 HD12 LEU 6 HD12 LEU 6 12.620 -4.251 -10.025 198 HD13 LEU 6 HD13 LEU 6 10.966 -3.967 -10.610 199 HD21 LEU 6 HD21 LEU 6 13.715 -3.540 -12.080 200 HD22 LEU 6 HD22 LEU 6 13.245 -2.043 -12.896 201 HD23 LEU 6 HD23 LEU 6 12.105 -3.417 -12.825 202 H CYS 7 H CYS 7 10.725 1.237 -13.854 203 HA CYS 7 HA CYS 7 8.198 2.220 -12.628 204 HB2 CYS 7 HB2 CYS 7 10.128 3.892 -12.563 205 HB3 CYS 7 HB3 CYS 7 9.949 4.031 -14.308 206 H GLY 8 H GLY 8 6.494 2.687 -14.097 207 HA2 GLY 8 HA2 GLY 8 5.148 2.257 -15.943 208 HA3 GLY 8 HA3 GLY 8 6.598 2.428 -16.936 209 H SER 9 H SER 9 6.913 0.680 -18.203 210 HA SER 9 HA SER 9 5.643 -1.849 -17.887 211 HB2 SER 9 HB2 SER 9 7.176 -2.564 -19.691 212 HB3 SER 9 HB3 SER 9 6.298 -1.069 -20.043 213 HG SER 9 HG SER 9 8.547 -0.920 -20.577 214 H HIS 10 H HIS 10 8.829 -0.720 -16.744 215 HA HIS 10 HA HIS 10 9.892 -3.354 -16.146 216 HB2 HIS 10 HB2 HIS 10 10.550 -0.585 -15.062 217 HB3 HIS 10 HB3 HIS 10 11.419 -2.040 -14.622 218 HD1 HIS 10 HD1 HIS 10 13.355 -2.774 -16.196 219 HD2 HIS 10 HD2 HIS 10 10.770 0.154 -17.771 220 HE1 HIS 10 HE1 HIS 10 14.467 -1.920 -18.312 221 H LEU 11 H LEU 11 7.978 -0.982 -14.336 222 HA LEU 11 HA LEU 11 8.140 -2.214 -11.750 223 HB2 LEU 11 HB2 LEU 11 7.607 0.102 -12.151 224 HB3 LEU 11 HB3 LEU 11 6.141 -0.279 -13.019 225 HG LEU 11 HG LEU 11 6.477 -1.132 -10.129 226 HD11 LEU 11 HD11 LEU 11 6.983 1.342 -10.382 227 HD12 LEU 11 HD12 LEU 11 5.537 1.012 -9.441 228 HD13 LEU 11 HD13 LEU 11 5.389 1.555 -11.126 229 HD21 LEU 11 HD21 LEU 11 4.080 -0.458 -11.900 230 HD22 LEU 11 HD22 LEU 11 3.978 -0.713 -10.152 231 HD23 LEU 11 HD23 LEU 11 4.477 -2.038 -11.180 232 H VAL 12 H VAL 12 5.610 -2.410 -14.347 233 HA VAL 12 HA VAL 12 4.046 -4.289 -12.787 234 HB VAL 12 HB VAL 12 2.675 -4.585 -14.788 235 HG11 VAL 12 HG11 VAL 12 1.738 -2.326 -14.776 236 HG12 VAL 12 HG12 VAL 12 2.248 -2.777 -13.140 237 HG13 VAL 12 HG13 VAL 12 3.243 -1.665 -14.108 238 HG21 VAL 12 HG21 VAL 12 4.489 -2.551 -16.124 239 HG22 VAL 12 HG22 VAL 12 4.319 -4.256 -16.600 240 HG23 VAL 12 HG23 VAL 12 2.945 -3.155 -16.752 241 H GLU 13 H GLU 13 6.442 -4.737 -15.397 242 HA GLU 13 HA GLU 13 5.949 -7.560 -15.700 243 HB2 GLU 13 HB2 GLU 13 7.151 -6.144 -17.347 244 HB3 GLU 13 HB3 GLU 13 8.496 -5.961 -16.211 245 HG2 GLU 13 HG2 GLU 13 8.902 -8.401 -16.291 246 HG3 GLU 13 HG3 GLU 13 7.487 -8.620 -17.330 247 H ALA 14 H ALA 14 8.275 -5.751 -13.618 248 HA ALA 14 HA ALA 14 9.443 -8.096 -12.445 249 HB1 ALA 14 HB1 ALA 14 10.524 -5.891 -12.471 250 HB2 ALA 14 HB2 ALA 14 9.210 -5.226 -11.466 251 HB3 ALA 14 HB3 ALA 14 10.313 -6.462 -10.799 252 H LEU 15 H LEU 15 6.742 -5.943 -11.348 253 HA LEU 15 HA LEU 15 6.296 -7.302 -8.890 254 HB2 LEU 15 HB2 LEU 15 5.542 -5.050 -9.236 255 HB3 LEU 15 HB3 LEU 15 4.608 -5.513 -10.670 256 HG LEU 15 HG LEU 15 3.048 -6.755 -9.308 257 HD11 LEU 15 HD11 LEU 15 4.573 -7.475 -7.451 258 HD12 LEU 15 HD12 LEU 15 3.100 -6.726 -6.877 259 HD13 LEU 15 HD13 LEU 15 4.623 -5.789 -6.888 260 HD21 LEU 15 HD21 LEU 15 2.670 -4.356 -9.697 261 HD22 LEU 15 HD22 LEU 15 3.619 -3.964 -8.262 262 HD23 LEU 15 HD23 LEU 15 2.080 -4.797 -8.077 263 H TYR 16 H TYR 16 4.780 -7.739 -12.167 264 HA TYR 16 HA TYR 16 3.081 -9.887 -11.366 265 HB2 TYR 16 HB2 TYR 16 2.833 -8.613 -13.459 266 HB3 TYR 16 HB3 TYR 16 4.358 -9.258 -14.047 267 HD1 TYR 16 HD2 TYR 16 1.808 -11.396 -12.264 268 HD2 TYR 16 HD1 TYR 16 3.407 -10.105 -16.064 269 HE1 TYR 16 HE2 TYR 16 0.671 -13.291 -13.378 270 HE2 TYR 16 HE1 TYR 16 2.230 -11.998 -17.183 271 HH TYR 16 HH TYR 16 0.880 -13.829 -16.921 272 H LEU 17 H LEU 17 6.507 -9.935 -12.511 273 HA LEU 17 HA LEU 17 6.732 -12.789 -12.465 274 HB2 LEU 17 HB2 LEU 17 8.240 -11.223 -13.674 275 HB3 LEU 17 HB3 LEU 17 8.856 -10.636 -12.128 276 HG LEU 17 HG LEU 17 9.770 -12.919 -11.649 277 HD11 LEU 17 HD11 LEU 17 8.846 -13.547 -14.495 278 HD12 LEU 17 HD12 LEU 17 8.272 -14.326 -12.998 279 HD13 LEU 17 HD13 LEU 17 9.944 -14.551 -13.514 280 HD21 LEU 17 HD21 LEU 17 11.168 -11.195 -12.690 281 HD22 LEU 17 HD22 LEU 17 10.638 -11.725 -14.305 282 HD23 LEU 17 HD23 LEU 17 11.595 -12.809 -13.277 283 H VAL 18 H VAL 18 7.026 -10.372 -9.889 284 HA VAL 18 HA VAL 18 8.054 -12.229 -7.869 285 HB VAL 18 HB VAL 18 6.970 -9.396 -7.825 286 HG11 VAL 18 HG11 VAL 18 7.589 -9.419 -5.348 287 HG12 VAL 18 HG12 VAL 18 6.071 -10.195 -5.783 288 HG13 VAL 18 HG13 VAL 18 7.515 -11.184 -5.446 289 HG21 VAL 18 HG21 VAL 18 9.322 -9.779 -8.507 290 HG22 VAL 18 HG22 VAL 18 9.231 -8.933 -6.961 291 HG23 VAL 18 HG23 VAL 18 9.619 -10.660 -6.996 292 H CYS 19 H CYS 19 4.773 -11.041 -8.784 293 HA CYS 19 HA CYS 19 3.483 -12.590 -6.713 294 HB2 CYS 19 HB2 CYS 19 2.414 -11.305 -9.240 295 HB3 CYS 19 HB3 CYS 19 1.442 -11.926 -7.906 296 H GLY 20 H GLY 20 4.628 -13.190 -9.941 297 HA2 GLY 20 HA2 GLY 20 5.148 -15.076 -11.058 298 HA3 GLY 20 HA3 GLY 20 4.511 -16.056 -9.725 299 H GLU 21 H GLU 21 2.088 -15.322 -9.566 300 HA GLU 21 HA GLU 21 0.455 -15.464 -12.004 301 HB2 GLU 21 HB2 GLU 21 -0.531 -17.654 -11.594 302 HB3 GLU 21 HB3 GLU 21 1.196 -17.796 -11.858 303 HG2 GLU 21 HG2 GLU 21 1.569 -17.979 -9.401 304 HG3 GLU 21 HG3 GLU 21 -0.172 -17.847 -9.136 305 H ARG 22 H ARG 22 0.736 -14.813 -8.624 306 HA ARG 22 HA ARG 22 -2.000 -15.118 -7.793 307 HB2 ARG 22 HB2 ARG 22 0.318 -13.429 -6.731 308 HB3 ARG 22 HB3 ARG 22 -1.211 -13.647 -5.885 309 HG2 ARG 22 HG2 ARG 22 -0.863 -16.007 -5.623 310 HG3 ARG 22 HG3 ARG 22 0.581 -16.001 -6.640 311 HD2 ARG 22 HD2 ARG 22 0.385 -14.368 -4.081 312 HD3 ARG 22 HD3 ARG 22 0.936 -16.053 -4.100 313 HE ARG 22 HE ARG 22 2.515 -14.796 -6.019 314 HH11 ARG 22 HH11 ARG 22 2.107 -14.436 -2.515 315 HH12 ARG 22 HH12 ARG 22 3.795 -13.946 -2.343 316 HH21 ARG 22 HH21 ARG 22 4.710 -14.081 -5.537 317 HH22 ARG 22 HH22 ARG 22 5.061 -13.790 -3.844 318 H GLY 23 H GLY 23 -0.445 -12.600 -9.602 319 HA2 GLY 23 HA2 GLY 23 -1.264 -10.627 -10.516 320 HA3 GLY 23 HA3 GLY 23 -2.858 -10.962 -9.839 321 H PHE 24 H PHE 24 -2.007 -8.420 -9.773 322 HA PHE 24 HA PHE 24 -1.350 -7.817 -6.942 323 HB2 PHE 24 HB2 PHE 24 0.384 -6.274 -7.672 324 HB3 PHE 24 HB3 PHE 24 0.733 -7.883 -8.264 325 HD1 PHE 24 HD1 PHE 24 -0.305 -4.458 -9.245 326 HD2 PHE 24 HD2 PHE 24 0.730 -8.401 -10.656 327 HE1 PHE 24 HE1 PHE 24 -0.068 -3.575 -11.550 328 HE2 PHE 24 HE2 PHE 24 0.923 -7.515 -12.970 329 HZ PHE 24 HZ PHE 24 0.553 -5.106 -13.416 330 H PHE 25 H PHE 25 -1.447 -5.540 -6.410 331 HA PHE 25 HA PHE 25 -3.105 -3.797 -8.116 332 HB2 PHE 25 HB2 PHE 25 -4.757 -4.718 -6.595 333 HB3 PHE 25 HB3 PHE 25 -3.731 -4.370 -5.207 334 HD1 PHE 25 HD2 PHE 25 -4.945 -2.377 -8.208 335 HD2 PHE 25 HD1 PHE 25 -4.589 -2.614 -3.912 336 HE1 PHE 25 HE2 PHE 25 -5.918 -0.104 -7.999 337 HE2 PHE 25 HE1 PHE 25 -5.636 -0.372 -3.710 338 HZ PHE 25 HZ PHE 25 -6.274 0.896 -5.750 339 H TYR 26 H TYR 26 -2.411 -1.771 -8.160 340 HA TYR 26 HA TYR 26 0.231 -1.239 -7.045 341 HB2 TYR 26 HB2 TYR 26 0.052 0.648 -8.803 342 HB3 TYR 26 HB3 TYR 26 0.115 -1.016 -9.332 343 HD1 TYR 26 HD1 TYR 26 -2.197 1.868 -8.781 344 HD2 TYR 26 HD2 TYR 26 -1.669 -2.018 -10.579 345 HE1 TYR 26 HE1 TYR 26 -4.368 2.126 -9.963 346 HE2 TYR 26 HE2 TYR 26 -3.839 -1.744 -11.784 347 HH TYR 26 HH TYR 26 -5.880 1.172 -11.408 348 H THR 27 H THR 27 -2.696 -0.524 -5.771 349 HA THR 27 HA THR 27 -3.493 0.953 -4.265 350 HB THR 27 HB THR 27 -2.159 1.369 -2.367 351 HG1 THR 27 HG1 THR 27 0.053 0.832 -2.375 352 HG21 THR 27 HG21 THR 27 -1.327 -1.296 -3.596 353 HG22 THR 27 HG22 THR 27 -2.862 -0.973 -2.764 354 HG23 THR 27 HG23 THR 27 -1.341 -0.878 -1.868 355 H LYS 28 H LYS 28 -2.912 2.300 -6.669 356 HA LYS 28 HA LYS 28 -2.467 5.104 -5.721 357 HB2 LYS 28 HB2 LYS 28 -0.657 3.939 -7.167 358 HB3 LYS 28 HB3 LYS 28 -1.757 4.156 -8.511 359 HG2 LYS 28 HG2 LYS 28 -0.582 6.330 -6.727 360 HG3 LYS 28 HG3 LYS 28 -0.041 5.909 -8.349 361 HD2 LYS 28 HD2 LYS 28 -2.707 7.181 -7.609 362 HD3 LYS 28 HD3 LYS 28 -1.326 7.972 -8.359 363 HE2 LYS 28 HE2 LYS 28 -1.528 6.530 -10.366 364 HE3 LYS 28 HE3 LYS 28 -2.898 5.690 -9.628 365 HZ1 LYS 28 HZ1 LYS 28 -3.795 7.349 -11.038 366 HZ2 LYS 28 HZ2 LYS 28 -2.828 8.542 -10.432 367 HZ3 LYS 28 HZ3 LYS 28 -4.038 7.875 -9.529 368 HA PRO 29 HA PRO 29 -6.748 4.966 -7.279 369 HB2 PRO 29 HB2 PRO 29 -7.751 7.175 -6.016 370 HB3 PRO 29 HB3 PRO 29 -7.428 5.633 -5.165 371 HG2 PRO 29 HG2 PRO 29 -5.640 8.082 -5.329 372 HG3 PRO 29 HG3 PRO 29 -6.118 7.160 -3.866 373 HD2 PRO 29 HD2 PRO 29 -3.748 6.733 -5.134 374 HD3 PRO 29 HD3 PRO 29 -4.664 5.382 -4.400 375 H THR 30 H THR 30 -7.953 6.091 -8.830 376 HA THR 30 HA THR 30 -6.813 8.539 -10.099 377 HB THR 30 HB THR 30 -7.634 6.094 -11.708 378 HG1 THR 30 HG1 THR 30 -5.745 5.586 -10.786 379 HG21 THR 30 HG21 THR 30 -6.501 7.318 -13.550 380 HG22 THR 30 HG22 THR 30 -6.257 8.715 -12.469 381 HG23 THR 30 HG23 THR 30 -7.893 8.214 -12.936 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 4.383 3.370 -1.290 2 H2 GLY 1 H2 GLY 1 3.962 1.797 -1.108 3 H3 GLY 1 H3 GLY 1 2.914 2.979 -0.671 4 HA2 GLY 1 HA2 GLY 1 2.212 2.003 -2.767 5 HA3 GLY 1 HA3 GLY 1 2.682 3.702 -2.971 6 H ILE 2 H ILE 2 2.783 1.136 -4.737 7 HA ILE 2 HA ILE 2 5.404 0.247 -5.031 8 HB ILE 2 HB ILE 2 3.389 -0.869 -5.902 9 HG12 ILE 2 HG12 ILE 2 4.347 -1.593 -8.099 10 HG13 ILE 2 HG13 ILE 2 5.614 -0.380 -7.924 11 HG21 ILE 2 HG21 ILE 2 3.609 1.078 -8.229 12 HG22 ILE 2 HG22 ILE 2 2.433 -0.235 -8.047 13 HG23 ILE 2 HG23 ILE 2 2.341 1.169 -6.976 14 HD11 ILE 2 HD11 ILE 2 6.540 -2.437 -7.359 15 HD12 ILE 2 HD12 ILE 2 6.280 -1.629 -5.797 16 HD13 ILE 2 HD13 ILE 2 5.148 -2.900 -6.384 17 H VAL 3 H VAL 3 3.969 3.131 -6.622 18 HA VAL 3 HA VAL 3 6.181 3.421 -8.453 19 HB VAL 3 HB VAL 3 4.134 5.499 -7.594 20 HG11 VAL 3 HG11 VAL 3 4.649 6.543 -9.780 21 HG12 VAL 3 HG12 VAL 3 6.073 6.513 -8.740 22 HG13 VAL 3 HG13 VAL 3 5.917 5.330 -10.066 23 HG21 VAL 3 HG21 VAL 3 4.122 3.520 -9.926 24 HG22 VAL 3 HG22 VAL 3 2.997 3.536 -8.555 25 HG23 VAL 3 HG23 VAL 3 2.968 4.857 -9.712 26 H GLU 4 H GLU 4 5.409 4.942 -5.322 27 HA GLU 4 HA GLU 4 7.790 6.580 -5.284 28 HB2 GLU 4 HB2 GLU 4 5.480 6.947 -4.144 29 HB3 GLU 4 HB3 GLU 4 6.075 5.854 -2.898 30 HG2 GLU 4 HG2 GLU 4 6.440 8.114 -2.173 31 HG3 GLU 4 HG3 GLU 4 8.020 7.425 -2.529 32 H GLN 5 H GLN 5 7.205 3.275 -4.520 33 HA GLN 5 HA GLN 5 9.664 3.018 -2.886 34 HB2 GLN 5 HB2 GLN 5 7.607 1.908 -2.162 35 HB3 GLN 5 HB3 GLN 5 7.571 0.972 -3.662 36 HG2 GLN 5 HG2 GLN 5 8.451 -0.343 -1.802 37 HG3 GLN 5 HG3 GLN 5 9.671 -0.137 -3.054 38 HE21 GLN 5 HE21 GLN 5 11.556 1.301 -2.569 39 HE22 GLN 5 HE22 GLN 5 11.907 1.636 -0.880 40 H CYS 6 H CYS 6 8.443 1.906 -6.069 41 HA CYS 6 HA CYS 6 11.061 0.638 -6.631 42 HB2 CYS 6 HB2 CYS 6 8.270 0.278 -7.771 43 HB3 CYS 6 HB3 CYS 6 9.700 -0.401 -8.516 44 H CYS 7 H CYS 7 9.058 3.296 -7.967 45 HA CYS 7 HA CYS 7 10.836 3.343 -10.349 46 HB2 CYS 7 HB2 CYS 7 8.481 3.440 -10.759 47 HB3 CYS 7 HB3 CYS 7 8.311 4.870 -9.747 48 H THR 8 H THR 8 9.860 5.583 -7.668 49 HA THR 8 HA THR 8 11.950 7.497 -8.424 50 HB THR 8 HB THR 8 11.215 8.803 -6.535 51 HG1 THR 8 HG1 THR 8 9.598 8.029 -5.202 52 HG21 THR 8 HG21 THR 8 8.885 9.205 -7.115 53 HG22 THR 8 HG22 THR 8 8.745 7.617 -7.890 54 HG23 THR 8 HG23 THR 8 9.788 8.866 -8.607 55 H SER 9 H SER 9 11.988 4.666 -6.568 56 HA SER 9 HA SER 9 14.707 5.213 -5.546 57 HB2 SER 9 HB2 SER 9 12.995 5.818 -3.747 58 HB3 SER 9 HB3 SER 9 12.565 4.100 -3.707 59 HG SER 9 HG SER 9 14.201 4.729 -2.158 60 H ILE 10 H ILE 10 15.507 3.080 -4.443 61 HA ILE 10 HA ILE 10 15.135 0.828 -6.329 62 HB ILE 10 HB ILE 10 16.980 1.259 -3.948 63 HG12 ILE 10 HG12 ILE 10 17.483 0.948 -6.947 64 HG13 ILE 10 HG13 ILE 10 17.492 2.467 -6.064 65 HG21 ILE 10 HG21 ILE 10 18.045 -0.939 -4.570 66 HG22 ILE 10 HG22 ILE 10 16.434 -1.121 -3.923 67 HG23 ILE 10 HG23 ILE 10 16.684 -1.231 -5.677 68 HD11 ILE 10 HD11 ILE 10 19.410 1.637 -4.683 69 HD12 ILE 10 HD12 ILE 10 19.502 0.217 -5.760 70 HD13 ILE 10 HD13 ILE 10 19.761 1.837 -6.413 71 H CYS 11 H CYS 11 14.177 -1.130 -5.862 72 HA CYS 11 HA CYS 11 13.050 -1.572 -3.163 73 HB2 CYS 11 HB2 CYS 11 10.894 -2.116 -3.951 74 HB3 CYS 11 HB3 CYS 11 11.314 -0.556 -4.623 75 H SER 12 H SER 12 12.064 -3.858 -3.079 76 HA SER 12 HA SER 12 13.629 -5.893 -4.554 77 HB2 SER 12 HB2 SER 12 14.866 -5.206 -2.430 78 HB3 SER 12 HB3 SER 12 13.497 -5.842 -1.515 79 HG SER 12 HG SER 12 15.113 -7.417 -1.738 80 H LEU 13 H LEU 13 12.905 -8.069 -3.805 81 HA LEU 13 HA LEU 13 10.264 -8.855 -4.181 82 HB2 LEU 13 HB2 LEU 13 12.201 -10.330 -4.222 83 HB3 LEU 13 HB3 LEU 13 12.570 -9.976 -2.537 84 HG LEU 13 HG LEU 13 10.509 -11.178 -1.825 85 HD11 LEU 13 HD11 LEU 13 9.322 -12.594 -3.456 86 HD12 LEU 13 HD12 LEU 13 10.318 -11.949 -4.775 87 HD13 LEU 13 HD13 LEU 13 9.183 -10.887 -3.910 88 HD21 LEU 13 HD21 LEU 13 12.679 -12.333 -1.934 89 HD22 LEU 13 HD22 LEU 13 12.383 -12.755 -3.640 90 HD23 LEU 13 HD23 LEU 13 11.358 -13.429 -2.351 91 H TYR 14 H TYR 14 11.875 -7.988 -1.116 92 HA TYR 14 HA TYR 14 9.679 -8.739 0.579 93 HB2 TYR 14 HB2 TYR 14 11.985 -6.858 1.173 94 HB3 TYR 14 HB3 TYR 14 10.995 -7.704 2.351 95 HD1 TYR 14 HD1 TYR 14 10.916 -10.378 2.027 96 HD2 TYR 14 HD2 TYR 14 14.070 -7.801 0.591 97 HE1 TYR 14 HE1 TYR 14 12.455 -12.325 1.917 98 HE2 TYR 14 HE2 TYR 14 15.608 -9.751 0.488 99 HH TYR 14 HH TYR 14 14.575 -13.055 1.420 100 H GLN 15 H GLN 15 10.089 -5.941 -1.348 101 HA GLN 15 HA GLN 15 7.878 -4.507 0.080 102 HB2 GLN 15 HB2 GLN 15 9.801 -3.540 -2.071 103 HB3 GLN 15 HB3 GLN 15 8.464 -2.603 -1.405 104 HG2 GLN 15 HG2 GLN 15 10.838 -3.648 0.200 105 HG3 GLN 15 HG3 GLN 15 10.673 -2.015 -0.417 106 HE21 GLN 15 HE21 GLN 15 11.089 -2.406 2.306 107 HE22 GLN 15 HE22 GLN 15 9.609 -1.990 3.158 108 H LEU 16 H LEU 16 8.871 -5.867 -3.066 109 HA LEU 16 HA LEU 16 6.592 -5.167 -4.582 110 HB2 LEU 16 HB2 LEU 16 8.592 -7.425 -4.721 111 HB3 LEU 16 HB3 LEU 16 7.327 -7.258 -5.927 112 HG LEU 16 HG LEU 16 9.264 -4.992 -5.340 113 HD11 LEU 16 HD11 LEU 16 10.573 -5.692 -7.261 114 HD12 LEU 16 HD12 LEU 16 9.513 -7.089 -7.536 115 HD13 LEU 16 HD13 LEU 16 10.537 -7.013 -6.082 116 HD21 LEU 16 HD21 LEU 16 7.152 -4.471 -6.581 117 HD22 LEU 16 HD22 LEU 16 7.566 -5.693 -7.784 118 HD23 LEU 16 HD23 LEU 16 8.591 -4.261 -7.593 119 H GLU 17 H GLU 17 7.032 -8.097 -2.502 120 HA GLU 17 HA GLU 17 4.566 -9.329 -3.156 121 HB2 GLU 17 HB2 GLU 17 6.270 -9.373 -0.627 122 HB3 GLU 17 HB3 GLU 17 4.811 -10.360 -0.826 123 HG2 GLU 17 HG2 GLU 17 5.771 -11.275 -2.949 124 HG3 GLU 17 HG3 GLU 17 7.284 -10.476 -2.570 125 H ASN 18 H ASN 18 4.959 -6.375 -1.349 126 HA ASN 18 HA ASN 18 2.539 -6.700 0.257 127 HB2 ASN 18 HB2 ASN 18 4.232 -4.228 -0.309 128 HB3 ASN 18 HB3 ASN 18 2.979 -4.359 0.919 129 HD21 ASN 18 HD21 ASN 18 5.837 -3.734 1.314 130 HD22 ASN 18 HD22 ASN 18 6.436 -4.999 2.371 131 H TYR 19 H TYR 19 2.924 -6.114 -3.014 132 HA TYR 19 HA TYR 19 0.460 -4.431 -3.204 133 HB2 TYR 19 HB2 TYR 19 2.728 -4.744 -5.174 134 HB3 TYR 19 HB3 TYR 19 1.393 -3.633 -5.319 135 HD1 TYR 19 HD1 TYR 19 1.110 -2.108 -2.973 136 HD2 TYR 19 HD2 TYR 19 4.733 -3.823 -4.534 137 HE1 TYR 19 HE1 TYR 19 2.432 -0.396 -1.769 138 HE2 TYR 19 HE2 TYR 19 6.067 -2.098 -3.368 139 HH TYR 19 HH TYR 19 5.993 -0.269 -1.922 140 H CYS 20 H CYS 20 1.192 -7.635 -3.498 141 HA CYS 20 HA CYS 20 -0.043 -8.281 -6.002 142 HB2 CYS 20 HB2 CYS 20 0.399 -10.029 -3.579 143 HB3 CYS 20 HB3 CYS 20 -0.027 -10.581 -5.203 144 H ASN 21 H ASN 21 -1.973 -9.547 -6.339 145 HA ASN 21 HA ASN 21 -4.289 -8.272 -5.045 146 HB2 ASN 21 HB2 ASN 21 -4.100 -8.391 -7.510 147 HB3 ASN 21 HB3 ASN 21 -4.068 -10.158 -7.423 148 HD21 ASN 21 HD21 ASN 21 -6.012 -11.076 -7.870 149 HD22 ASN 21 HD22 ASN 21 -7.568 -10.312 -7.576 150 H1 PHE 1 H1 PHE 1 17.787 -8.554 -4.220 151 H2 PHE 1 H2 PHE 1 16.741 -9.684 -3.656 152 H3 PHE 1 H3 PHE 1 16.328 -8.094 -3.628 153 HA PHE 1 HA PHE 1 16.742 -9.712 -6.057 154 HB2 PHE 1 HB2 PHE 1 14.670 -10.282 -4.881 155 HB3 PHE 1 HB3 PHE 1 14.220 -8.588 -4.797 156 HD1 PHE 1 HD2 PHE 1 14.708 -11.451 -7.137 157 HD2 PHE 1 HD1 PHE 1 13.054 -7.502 -6.577 158 HE1 PHE 1 HE2 PHE 1 13.413 -11.692 -9.240 159 HE2 PHE 1 HE1 PHE 1 11.769 -7.748 -8.686 160 HZ PHE 1 HZ PHE 1 11.954 -9.834 -10.026 161 H VAL 2 H VAL 2 17.100 -8.608 -7.858 162 HA VAL 2 HA VAL 2 17.944 -7.107 -9.190 163 HB VAL 2 HB VAL 2 16.582 -5.313 -9.966 164 HG11 VAL 2 HG11 VAL 2 14.973 -7.824 -9.399 165 HG12 VAL 2 HG12 VAL 2 14.669 -6.650 -10.685 166 HG13 VAL 2 HG13 VAL 2 16.152 -7.611 -10.708 167 HG21 VAL 2 HG21 VAL 2 14.539 -5.920 -7.801 168 HG22 VAL 2 HG22 VAL 2 15.573 -4.477 -7.819 169 HG23 VAL 2 HG23 VAL 2 14.416 -4.748 -9.117 170 H ASN 3 H ASN 3 17.224 -5.210 -6.237 171 HA ASN 3 HA ASN 3 18.094 -3.311 -5.435 172 HB2 ASN 3 HB2 ASN 3 19.896 -5.036 -5.019 173 HB3 ASN 3 HB3 ASN 3 20.779 -4.347 -6.387 174 HD21 ASN 3 HD21 ASN 3 19.196 -3.391 -3.285 175 HD22 ASN 3 HD22 ASN 3 20.400 -2.172 -2.908 176 H GLN 4 H GLN 4 16.848 -2.767 -7.689 177 HA GLN 4 HA GLN 4 18.377 -0.621 -9.068 178 HB2 GLN 4 HB2 GLN 4 18.454 -2.960 -10.249 179 HB3 GLN 4 HB3 GLN 4 16.738 -2.707 -10.543 180 HG2 GLN 4 HG2 GLN 4 17.531 -0.443 -11.669 181 HG3 GLN 4 HG3 GLN 4 19.129 -1.172 -11.622 182 HE21 GLN 4 HE21 GLN 4 15.818 -1.430 -12.939 183 HE22 GLN 4 HE22 GLN 4 16.255 -2.544 -14.240 184 H HIS 5 H HIS 5 16.946 0.843 -10.271 185 HA HIS 5 HA HIS 5 14.254 1.220 -9.133 186 HB2 HIS 5 HB2 HIS 5 15.806 2.637 -11.337 187 HB3 HIS 5 HB3 HIS 5 14.141 3.011 -10.933 188 HD1 HIS 5 HD1 HIS 5 14.027 5.124 -9.503 189 HD2 HIS 5 HD2 HIS 5 17.387 2.712 -8.746 190 HE1 HIS 5 HE1 HIS 5 15.447 6.385 -7.786 191 H LEU 6 H LEU 6 12.373 0.975 -10.240 192 HA LEU 6 HA LEU 6 12.235 -0.431 -12.863 193 HB2 LEU 6 HB2 LEU 6 10.820 -1.241 -10.294 194 HB3 LEU 6 HB3 LEU 6 10.505 -1.931 -11.879 195 HG LEU 6 HG LEU 6 13.180 -2.173 -10.418 196 HD11 LEU 6 HD11 LEU 6 12.351 -4.524 -10.003 197 HD12 LEU 6 HD12 LEU 6 10.754 -3.976 -10.544 198 HD13 LEU 6 HD13 LEU 6 11.496 -3.262 -9.103 199 HD21 LEU 6 HD21 LEU 6 13.623 -3.989 -11.986 200 HD22 LEU 6 HD22 LEU 6 13.297 -2.514 -12.904 201 HD23 LEU 6 HD23 LEU 6 12.037 -3.769 -12.751 202 H CYS 7 H CYS 7 11.132 1.036 -14.056 203 HA CYS 7 HA CYS 7 8.735 2.406 -12.895 204 HB2 CYS 7 HB2 CYS 7 10.721 3.359 -14.973 205 HB3 CYS 7 HB3 CYS 7 9.211 4.173 -14.616 206 H GLY 8 H GLY 8 6.906 2.571 -14.172 207 HA2 GLY 8 HA2 GLY 8 5.319 1.951 -15.747 208 HA3 GLY 8 HA3 GLY 8 6.636 2.146 -16.902 209 H SER 9 H SER 9 7.003 0.404 -18.152 210 HA SER 9 HA SER 9 5.710 -2.092 -17.904 211 HB2 SER 9 HB2 SER 9 8.282 -1.478 -19.386 212 HB3 SER 9 HB3 SER 9 7.179 -2.840 -19.680 213 HG SER 9 HG SER 9 6.848 -1.062 -21.129 214 H HIS 10 H HIS 10 8.901 -1.061 -16.673 215 HA HIS 10 HA HIS 10 9.811 -3.744 -16.004 216 HB2 HIS 10 HB2 HIS 10 10.700 -0.985 -15.061 217 HB3 HIS 10 HB3 HIS 10 11.472 -2.480 -14.592 218 HD1 HIS 10 HD1 HIS 10 13.253 -3.464 -16.196 219 HD2 HIS 10 HD2 HIS 10 10.929 -0.343 -17.797 220 HE1 HIS 10 HE1 HIS 10 14.386 -2.788 -18.365 221 H LEU 11 H LEU 11 8.072 -1.172 -14.311 222 HA LEU 11 HA LEU 11 8.178 -2.280 -11.658 223 HB2 LEU 11 HB2 LEU 11 7.742 0.055 -12.162 224 HB3 LEU 11 HB3 LEU 11 6.271 -0.315 -13.018 225 HG LEU 11 HG LEU 11 6.489 -1.098 -10.098 226 HD11 LEU 11 HD11 LEU 11 5.887 1.677 -11.235 227 HD12 LEU 11 HD12 LEU 11 7.256 1.235 -10.188 228 HD13 LEU 11 HD13 LEU 11 5.606 1.198 -9.554 229 HD21 LEU 11 HD21 LEU 11 4.208 -0.175 -11.917 230 HD22 LEU 11 HD22 LEU 11 4.041 -0.476 -10.181 231 HD23 LEU 11 HD23 LEU 11 4.443 -1.808 -11.261 232 H VAL 12 H VAL 12 5.696 -2.492 -14.266 233 HA VAL 12 HA VAL 12 4.001 -4.200 -12.642 234 HB VAL 12 HB VAL 12 2.635 -4.493 -14.615 235 HG11 VAL 12 HG11 VAL 12 2.395 -2.487 -13.147 236 HG12 VAL 12 HG12 VAL 12 3.465 -1.583 -14.239 237 HG13 VAL 12 HG13 VAL 12 1.895 -2.180 -14.818 238 HG21 VAL 12 HG21 VAL 12 4.253 -4.522 -16.442 239 HG22 VAL 12 HG22 VAL 12 3.050 -3.254 -16.692 240 HG23 VAL 12 HG23 VAL 12 4.664 -2.826 -16.114 241 H GLU 13 H GLU 13 6.392 -4.917 -15.201 242 HA GLU 13 HA GLU 13 5.738 -7.713 -15.368 243 HB2 GLU 13 HB2 GLU 13 6.962 -6.459 -17.102 244 HB3 GLU 13 HB3 GLU 13 8.351 -6.285 -16.012 245 HG2 GLU 13 HG2 GLU 13 8.654 -8.731 -15.984 246 HG3 GLU 13 HG3 GLU 13 7.182 -8.951 -16.944 247 H ALA 14 H ALA 14 8.210 -5.972 -13.407 248 HA ALA 14 HA ALA 14 9.297 -8.307 -12.132 249 HB1 ALA 14 HB1 ALA 14 9.107 -5.401 -11.244 250 HB2 ALA 14 HB2 ALA 14 10.167 -6.638 -10.506 251 HB3 ALA 14 HB3 ALA 14 10.432 -6.118 -12.192 252 H LEU 15 H LEU 15 6.635 -6.050 -11.170 253 HA LEU 15 HA LEU 15 6.121 -7.319 -8.670 254 HB2 LEU 15 HB2 LEU 15 5.514 -5.033 -9.125 255 HB3 LEU 15 HB3 LEU 15 4.497 -5.517 -10.498 256 HG LEU 15 HG LEU 15 2.932 -6.590 -9.030 257 HD11 LEU 15 HD11 LEU 15 4.652 -5.640 -6.702 258 HD12 LEU 15 HD12 LEU 15 4.436 -7.330 -7.191 259 HD13 LEU 15 HD13 LEU 15 3.055 -6.431 -6.590 260 HD21 LEU 15 HD21 LEU 15 2.674 -4.175 -9.488 261 HD22 LEU 15 HD22 LEU 15 3.681 -3.791 -8.075 262 HD23 LEU 15 HD23 LEU 15 2.096 -4.555 -7.859 263 H TYR 16 H TYR 16 4.635 -7.823 -11.931 264 HA TYR 16 HA TYR 16 2.849 -9.915 -11.117 265 HB2 TYR 16 HB2 TYR 16 2.789 -8.548 -13.229 266 HB3 TYR 16 HB3 TYR 16 4.180 -9.452 -13.814 267 HD1 TYR 16 HD2 TYR 16 0.575 -9.525 -13.015 268 HD2 TYR 16 HD1 TYR 16 3.892 -11.817 -14.540 269 HE1 TYR 16 HE2 TYR 16 -1.014 -11.219 -13.911 270 HE2 TYR 16 HE1 TYR 16 2.300 -13.505 -15.457 271 HH TYR 16 HH TYR 16 -1.250 -13.181 -15.084 272 H LEU 17 H LEU 17 6.269 -10.057 -12.184 273 HA LEU 17 HA LEU 17 6.490 -12.913 -12.124 274 HB2 LEU 17 HB2 LEU 17 8.051 -11.397 -13.266 275 HB3 LEU 17 HB3 LEU 17 8.547 -10.706 -11.727 276 HG LEU 17 HG LEU 17 9.535 -12.878 -11.042 277 HD11 LEU 17 HD11 LEU 17 8.788 -13.769 -13.866 278 HD12 LEU 17 HD12 LEU 17 8.158 -14.455 -12.351 279 HD13 LEU 17 HD13 LEU 17 9.862 -14.651 -12.755 280 HD21 LEU 17 HD21 LEU 17 10.478 -11.877 -13.751 281 HD22 LEU 17 HD22 LEU 17 11.438 -12.812 -12.584 282 HD23 LEU 17 HD23 LEU 17 10.900 -11.172 -12.176 283 H VAL 18 H VAL 18 6.794 -10.455 -9.553 284 HA VAL 18 HA VAL 18 7.680 -12.360 -7.514 285 HB VAL 18 HB VAL 18 6.824 -9.456 -7.501 286 HG11 VAL 18 HG11 VAL 18 7.248 -11.238 -5.080 287 HG12 VAL 18 HG12 VAL 18 7.416 -9.476 -5.031 288 HG13 VAL 18 HG13 VAL 18 5.860 -10.189 -5.442 289 HG21 VAL 18 HG21 VAL 18 9.365 -10.956 -6.700 290 HG22 VAL 18 HG22 VAL 18 9.138 -10.017 -8.185 291 HG23 VAL 18 HG23 VAL 18 9.136 -9.206 -6.612 292 H CYS 19 H CYS 19 4.515 -10.937 -8.422 293 HA CYS 19 HA CYS 19 3.086 -12.333 -6.345 294 HB2 CYS 19 HB2 CYS 19 2.141 -11.084 -8.944 295 HB3 CYS 19 HB3 CYS 19 1.095 -11.598 -7.610 296 H GLY 20 H GLY 20 4.149 -13.242 -9.567 297 HA2 GLY 20 HA2 GLY 20 4.370 -15.278 -10.522 298 HA3 GLY 20 HA3 GLY 20 3.927 -16.026 -8.973 299 H GLU 21 H GLU 21 2.432 -14.185 -11.625 300 HA GLU 21 HA GLU 21 0.516 -14.309 -12.776 301 HB2 GLU 21 HB2 GLU 21 0.534 -17.286 -12.225 302 HB3 GLU 21 HB3 GLU 21 -0.377 -16.448 -13.473 303 HG2 GLU 21 HG2 GLU 21 1.748 -15.656 -14.504 304 HG3 GLU 21 HG3 GLU 21 2.666 -16.570 -13.304 305 H ARG 22 H ARG 22 0.345 -14.395 -9.563 306 HA ARG 22 HA ARG 22 -2.570 -14.789 -9.264 307 HB2 ARG 22 HB2 ARG 22 -0.432 -13.625 -7.439 308 HB3 ARG 22 HB3 ARG 22 -2.136 -13.685 -7.013 309 HG2 ARG 22 HG2 ARG 22 -2.189 -16.134 -7.261 310 HG3 ARG 22 HG3 ARG 22 -0.470 -16.153 -7.689 311 HD2 ARG 22 HD2 ARG 22 -1.570 -15.089 -5.049 312 HD3 ARG 22 HD3 ARG 22 -0.991 -16.747 -5.297 313 HE ARG 22 HE ARG 22 1.072 -15.084 -6.187 314 HH11 ARG 22 HH11 ARG 22 -0.443 -15.664 -3.078 315 HH12 ARG 22 HH12 ARG 22 1.018 -15.287 -2.201 316 HH21 ARG 22 HH21 ARG 22 2.887 -14.688 -5.030 317 HH22 ARG 22 HH22 ARG 22 2.872 -14.738 -3.289 318 H GLY 23 H GLY 23 -0.611 -12.275 -10.453 319 HA2 GLY 23 HA2 GLY 23 -1.160 -10.157 -11.241 320 HA3 GLY 23 HA3 GLY 23 -2.831 -10.382 -10.690 321 H PHE 24 H PHE 24 -1.978 -8.023 -10.328 322 HA PHE 24 HA PHE 24 -1.390 -7.649 -7.457 323 HB2 PHE 24 HB2 PHE 24 0.269 -5.955 -7.917 324 HB3 PHE 24 HB3 PHE 24 0.752 -7.484 -8.622 325 HD1 PHE 24 HD2 PHE 24 -0.467 -4.058 -9.345 326 HD2 PHE 24 HD1 PHE 24 0.930 -7.764 -11.053 327 HE1 PHE 24 HE2 PHE 24 -0.249 -2.956 -11.546 328 HE2 PHE 24 HE1 PHE 24 1.144 -6.652 -13.271 329 HZ PHE 24 HZ PHE 24 0.533 -4.256 -13.518 330 H PHE 25 H PHE 25 -1.796 -5.478 -6.698 331 HA PHE 25 HA PHE 25 -4.025 -4.080 -8.123 332 HB2 PHE 25 HB2 PHE 25 -4.752 -6.021 -6.584 333 HB3 PHE 25 HB3 PHE 25 -4.154 -5.061 -5.246 334 HD1 PHE 25 HD1 PHE 25 -5.296 -2.825 -4.723 335 HD2 PHE 25 HD2 PHE 25 -6.875 -5.617 -7.606 336 HE1 PHE 25 HE1 PHE 25 -7.529 -1.752 -4.544 337 HE2 PHE 25 HE2 PHE 25 -9.100 -4.542 -7.420 338 HZ PHE 25 HZ PHE 25 -9.435 -2.607 -5.894 339 H TYR 26 H TYR 26 -1.572 -4.034 -5.621 340 HA TYR 26 HA TYR 26 -0.677 -2.654 -4.266 341 HB2 TYR 26 HB2 TYR 26 0.210 -0.613 -4.959 342 HB3 TYR 26 HB3 TYR 26 0.283 -1.762 -6.278 343 HD1 TYR 26 HD1 TYR 26 -1.405 1.316 -5.024 344 HD2 TYR 26 HD2 TYR 26 -0.825 -1.336 -8.377 345 HE1 TYR 26 HE1 TYR 26 -2.383 3.027 -6.552 346 HE2 TYR 26 HE2 TYR 26 -1.780 0.383 -9.905 347 HH TYR 26 HH TYR 26 -2.691 2.477 -10.088 348 H THR 27 H THR 27 -0.915 -1.590 -2.467 349 HA THR 27 HA THR 27 -2.045 -0.935 -0.634 350 HB THR 27 HB THR 27 -2.813 1.334 -0.624 351 HG1 THR 27 HG1 THR 27 -3.934 1.389 -2.600 352 HG21 THR 27 HG21 THR 27 -0.369 0.840 -0.755 353 HG22 THR 27 HG22 THR 27 -0.793 2.393 -1.504 354 HG23 THR 27 HG23 THR 27 -0.448 0.980 -2.528 355 H LYS 28 H LYS 28 -3.412 -2.922 -1.780 356 HA LYS 28 HA LYS 28 -6.133 -2.534 -2.347 357 HB2 LYS 28 HB2 LYS 28 -4.683 -4.510 -2.919 358 HB3 LYS 28 HB3 LYS 28 -4.800 -5.047 -1.241 359 HG2 LYS 28 HG2 LYS 28 -7.261 -5.297 -1.492 360 HG3 LYS 28 HG3 LYS 28 -7.150 -4.706 -3.160 361 HD2 LYS 28 HD2 LYS 28 -5.655 -6.656 -3.710 362 HD3 LYS 28 HD3 LYS 28 -5.836 -7.212 -2.045 363 HE2 LYS 28 HE2 LYS 28 -7.399 -8.500 -3.227 364 HE3 LYS 28 HE3 LYS 28 -8.368 -7.245 -2.452 365 HZ1 LYS 28 HZ1 LYS 28 -9.026 -7.476 -4.742 366 HZ2 LYS 28 HZ2 LYS 28 -7.503 -7.340 -5.296 367 HZ3 LYS 28 HZ3 LYS 28 -8.257 -6.031 -4.636 368 HA PRO 29 HA PRO 29 -7.834 -1.957 1.774 369 HB2 PRO 29 HB2 PRO 29 -10.516 -2.226 1.282 370 HB3 PRO 29 HB3 PRO 29 -9.558 -0.806 0.761 371 HG2 PRO 29 HG2 PRO 29 -10.273 -3.253 -0.881 372 HG3 PRO 29 HG3 PRO 29 -10.482 -1.530 -1.324 373 HD2 PRO 29 HD2 PRO 29 -8.335 -2.957 -2.150 374 HD3 PRO 29 HD3 PRO 29 -8.150 -1.251 -1.655 375 H THR 30 H THR 30 -8.761 -3.132 3.489 376 HA THR 30 HA THR 30 -9.437 -5.995 3.144 377 HB THR 30 HB THR 30 -8.051 -6.594 5.131 378 HG1 THR 30 HG1 THR 30 -6.811 -4.107 4.554 379 HG21 THR 30 HG21 THR 30 -5.958 -6.859 3.933 380 HG22 THR 30 HG22 THR 30 -6.432 -5.623 2.740 381 HG23 THR 30 HG23 THR 30 -7.314 -7.159 2.840 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 0.517 4.919 -2.349 2 H2 GLY 1 H2 GLY 1 1.974 5.477 -2.830 3 H3 GLY 1 H3 GLY 1 1.896 4.218 -1.783 4 HA2 GLY 1 HA2 GLY 1 0.887 2.805 -3.450 5 HA3 GLY 1 HA3 GLY 1 0.950 4.173 -4.582 6 H ILE 2 H ILE 2 2.169 1.618 -5.070 7 HA ILE 2 HA ILE 2 4.859 1.454 -4.279 8 HB ILE 2 HB ILE 2 3.561 -0.425 -5.070 9 HG12 ILE 2 HG12 ILE 2 6.100 0.022 -6.705 10 HG13 ILE 2 HG13 ILE 2 6.031 -0.422 -4.994 11 HG21 ILE 2 HG21 ILE 2 2.342 0.639 -6.928 12 HG22 ILE 2 HG22 ILE 2 3.841 0.774 -7.855 13 HG23 ILE 2 HG23 ILE 2 3.165 -0.825 -7.461 14 HD11 ILE 2 HD11 ILE 2 5.561 -2.040 -7.438 15 HD12 ILE 2 HD12 ILE 2 6.380 -2.418 -5.900 16 HD13 ILE 2 HD13 ILE 2 4.604 -2.445 -5.997 17 H VAL 3 H VAL 3 3.603 3.433 -6.888 18 HA VAL 3 HA VAL 3 6.003 3.843 -8.359 19 HB VAL 3 HB VAL 3 3.700 5.723 -7.720 20 HG11 VAL 3 HG11 VAL 3 4.382 7.019 -9.714 21 HG12 VAL 3 HG12 VAL 3 5.636 7.084 -8.476 22 HG13 VAL 3 HG13 VAL 3 5.835 6.014 -9.886 23 HG21 VAL 3 HG21 VAL 3 4.317 4.011 -10.180 24 HG22 VAL 3 HG22 VAL 3 3.043 3.700 -8.985 25 HG23 VAL 3 HG23 VAL 3 2.949 5.129 -10.008 26 H GLU 4 H GLU 4 5.018 5.072 -5.195 27 HA GLU 4 HA GLU 4 7.280 6.896 -4.882 28 HB2 GLU 4 HB2 GLU 4 5.284 5.870 -2.834 29 HB3 GLU 4 HB3 GLU 4 6.356 7.252 -2.642 30 HG2 GLU 4 HG2 GLU 4 5.179 8.520 -4.331 31 HG3 GLU 4 HG3 GLU 4 4.170 7.139 -4.761 32 H GLN 5 H GLN 5 7.357 3.675 -5.049 33 HA GLN 5 HA GLN 5 9.549 3.356 -3.041 34 HB2 GLN 5 HB2 GLN 5 7.450 1.285 -3.878 35 HB3 GLN 5 HB3 GLN 5 8.876 0.932 -2.925 36 HG2 GLN 5 HG2 GLN 5 6.701 2.892 -2.044 37 HG3 GLN 5 HG3 GLN 5 6.811 1.208 -1.569 38 HE21 GLN 5 HE21 GLN 5 8.515 4.373 -1.266 39 HE22 GLN 5 HE22 GLN 5 9.362 3.881 0.203 40 H CYS 6 H CYS 6 8.258 2.094 -6.153 41 HA CYS 6 HA CYS 6 10.955 1.074 -6.817 42 HB2 CYS 6 HB2 CYS 6 8.222 0.720 -8.072 43 HB3 CYS 6 HB3 CYS 6 9.707 0.026 -8.708 44 H CYS 7 H CYS 7 8.774 3.682 -7.974 45 HA CYS 7 HA CYS 7 10.467 4.076 -10.361 46 HB2 CYS 7 HB2 CYS 7 7.950 4.319 -10.360 47 HB3 CYS 7 HB3 CYS 7 8.172 5.793 -9.413 48 H THR 8 H THR 8 9.640 5.939 -7.386 49 HA THR 8 HA THR 8 11.601 8.019 -7.935 50 HB THR 8 HB THR 8 10.956 8.886 -5.717 51 HG1 THR 8 HG1 THR 8 9.554 7.787 -4.464 52 HG21 THR 8 HG21 THR 8 8.513 8.005 -7.328 53 HG22 THR 8 HG22 THR 8 9.533 9.414 -7.698 54 HG23 THR 8 HG23 THR 8 8.613 9.363 -6.185 55 H SER 9 H SER 9 11.907 4.935 -6.442 56 HA SER 9 HA SER 9 14.648 5.513 -5.517 57 HB2 SER 9 HB2 SER 9 12.989 5.983 -3.615 58 HB3 SER 9 HB3 SER 9 12.652 4.244 -3.614 59 HG SER 9 HG SER 9 14.336 4.901 -2.131 60 H ILE 10 H ILE 10 15.461 3.303 -4.449 61 HA ILE 10 HA ILE 10 15.116 1.139 -6.430 62 HB ILE 10 HB ILE 10 16.843 1.420 -3.946 63 HG12 ILE 10 HG12 ILE 10 17.542 1.247 -6.905 64 HG13 ILE 10 HG13 ILE 10 17.484 2.734 -5.966 65 HG21 ILE 10 HG21 ILE 10 17.888 -0.766 -4.643 66 HG22 ILE 10 HG22 ILE 10 16.261 -0.916 -4.021 67 HG23 ILE 10 HG23 ILE 10 16.522 -0.975 -5.769 68 HD11 ILE 10 HD11 ILE 10 19.773 2.094 -6.174 69 HD12 ILE 10 HD12 ILE 10 19.293 1.844 -4.483 70 HD13 ILE 10 HD13 ILE 10 19.461 0.453 -5.582 71 H CYS 11 H CYS 11 14.019 -0.738 -6.126 72 HA CYS 11 HA CYS 11 12.904 -1.362 -3.456 73 HB2 CYS 11 HB2 CYS 11 10.733 -1.785 -4.201 74 HB3 CYS 11 HB3 CYS 11 11.161 -0.210 -4.857 75 H SER 12 H SER 12 12.028 -3.649 -3.418 76 HA SER 12 HA SER 12 13.661 -5.567 -4.997 77 HB2 SER 12 HB2 SER 12 14.527 -6.568 -2.952 78 HB3 SER 12 HB3 SER 12 14.923 -4.847 -2.928 79 HG SER 12 HG SER 12 14.077 -5.262 -0.954 80 H LEU 13 H LEU 13 13.113 -7.827 -4.327 81 HA LEU 13 HA LEU 13 10.519 -8.752 -4.466 82 HB2 LEU 13 HB2 LEU 13 12.512 -10.148 -4.609 83 HB3 LEU 13 HB3 LEU 13 13.006 -9.711 -2.976 84 HG LEU 13 HG LEU 13 11.082 -10.974 -2.043 85 HD11 LEU 13 HD11 LEU 13 9.862 -12.554 -3.479 86 HD12 LEU 13 HD12 LEU 13 10.711 -11.930 -4.919 87 HD13 LEU 13 HD13 LEU 13 9.589 -10.893 -4.012 88 HD21 LEU 13 HD21 LEU 13 12.920 -12.540 -3.896 89 HD22 LEU 13 HD22 LEU 13 12.026 -13.204 -2.507 90 HD23 LEU 13 HD23 LEU 13 13.297 -11.999 -2.243 91 H TYR 14 H TYR 14 12.251 -7.632 -1.550 92 HA TYR 14 HA TYR 14 10.214 -8.577 0.292 93 HB2 TYR 14 HB2 TYR 14 12.515 -6.666 0.794 94 HB3 TYR 14 HB3 TYR 14 11.612 -7.570 2.005 95 HD1 TYR 14 HD1 TYR 14 11.633 -10.176 1.826 96 HD2 TYR 14 HD2 TYR 14 14.469 -7.627 -0.187 97 HE1 TYR 14 HE1 TYR 14 13.160 -12.115 1.525 98 HE2 TYR 14 HE2 TYR 14 16.006 -9.579 -0.487 99 HH TYR 14 HH TYR 14 15.162 -12.854 0.694 100 H GLN 15 H GLN 15 10.389 -5.807 -1.669 101 HA GLN 15 HA GLN 15 8.264 -4.407 -0.085 102 HB2 GLN 15 HB2 GLN 15 9.819 -3.396 -2.481 103 HB3 GLN 15 HB3 GLN 15 8.650 -2.490 -1.524 104 HG2 GLN 15 HG2 GLN 15 11.361 -3.527 -0.588 105 HG3 GLN 15 HG3 GLN 15 10.942 -1.859 -0.946 106 HE21 GLN 15 HE21 GLN 15 12.065 -2.632 1.535 107 HE22 GLN 15 HE22 GLN 15 10.842 -2.352 2.770 108 H LEU 16 H LEU 16 9.015 -5.779 -3.293 109 HA LEU 16 HA LEU 16 6.598 -5.191 -4.593 110 HB2 LEU 16 HB2 LEU 16 8.696 -7.360 -4.890 111 HB3 LEU 16 HB3 LEU 16 7.363 -7.228 -6.026 112 HG LEU 16 HG LEU 16 9.244 -4.890 -5.485 113 HD11 LEU 16 HD11 LEU 16 10.527 -6.836 -6.331 114 HD12 LEU 16 HD12 LEU 16 10.429 -5.518 -7.521 115 HD13 LEU 16 HD13 LEU 16 9.411 -6.967 -7.706 116 HD21 LEU 16 HD21 LEU 16 7.545 -5.525 -7.912 117 HD22 LEU 16 HD22 LEU 16 8.444 -4.039 -7.587 118 HD23 LEU 16 HD23 LEU 16 7.018 -4.437 -6.618 119 H GLU 17 H GLU 17 7.326 -8.105 -2.550 120 HA GLU 17 HA GLU 17 4.883 -9.455 -3.024 121 HB2 GLU 17 HB2 GLU 17 6.737 -9.355 -0.607 122 HB3 GLU 17 HB3 GLU 17 5.306 -10.395 -0.671 123 HG2 GLU 17 HG2 GLU 17 6.164 -11.336 -2.836 124 HG3 GLU 17 HG3 GLU 17 7.669 -10.475 -2.565 125 H ASN 18 H ASN 18 5.254 -6.448 -1.305 126 HA ASN 18 HA ASN 18 2.960 -6.861 0.439 127 HB2 ASN 18 HB2 ASN 18 4.504 -4.333 -0.273 128 HB3 ASN 18 HB3 ASN 18 3.338 -4.477 1.027 129 HD21 ASN 18 HD21 ASN 18 6.194 -3.740 1.212 130 HD22 ASN 18 HD22 ASN 18 6.906 -4.956 2.265 131 H TYR 19 H TYR 19 3.083 -6.306 -2.869 132 HA TYR 19 HA TYR 19 0.487 -4.808 -2.841 133 HB2 TYR 19 HB2 TYR 19 2.520 -4.897 -5.071 134 HB3 TYR 19 HB3 TYR 19 1.075 -3.894 -4.989 135 HD1 TYR 19 HD2 TYR 19 0.900 -2.154 -3.095 136 HD2 TYR 19 HD1 TYR 19 4.561 -4.132 -4.225 137 HE1 TYR 19 HE2 TYR 19 2.187 -0.476 -1.804 138 HE2 TYR 19 HE1 TYR 19 5.864 -2.435 -2.931 139 HH TYR 19 HH TYR 19 4.251 0.209 -1.114 140 H CYS 20 H CYS 20 1.413 -7.946 -3.201 141 HA CYS 20 HA CYS 20 -0.121 -8.616 -5.588 142 HB2 CYS 20 HB2 CYS 20 0.828 -10.476 -3.411 143 HB3 CYS 20 HB3 CYS 20 0.361 -10.880 -5.072 144 H ASN 21 H ASN 21 -2.019 -9.966 -5.648 145 HA ASN 21 HA ASN 21 -3.869 -9.611 -3.327 146 HB2 ASN 21 HB2 ASN 21 -5.714 -9.808 -4.930 147 HB3 ASN 21 HB3 ASN 21 -4.682 -8.416 -5.220 148 HD21 ASN 21 HD21 ASN 21 -4.224 -11.807 -6.247 149 HD22 ASN 21 HD22 ASN 21 -4.318 -11.470 -7.968 150 H1 PHE 1 H1 PHE 1 17.710 -11.007 -5.201 151 H2 PHE 1 H2 PHE 1 18.317 -11.517 -6.625 152 H3 PHE 1 H3 PHE 1 17.018 -12.274 -5.978 153 HA PHE 1 HA PHE 1 16.337 -10.869 -7.794 154 HB2 PHE 1 HB2 PHE 1 14.890 -11.235 -5.694 155 HB3 PHE 1 HB3 PHE 1 15.369 -9.624 -5.194 156 HD1 PHE 1 HD2 PHE 1 13.557 -11.627 -7.755 157 HD2 PHE 1 HD1 PHE 1 14.392 -7.656 -6.282 158 HE1 PHE 1 HE2 PHE 1 11.738 -10.718 -9.173 159 HE2 PHE 1 HE1 PHE 1 12.594 -6.745 -7.714 160 HZ PHE 1 HZ PHE 1 11.249 -8.269 -9.153 161 H VAL 2 H VAL 2 15.891 -8.522 -8.432 162 HA VAL 2 HA VAL 2 18.408 -7.092 -8.508 163 HB VAL 2 HB VAL 2 17.175 -5.394 -9.815 164 HG11 VAL 2 HG11 VAL 2 18.220 -7.365 -10.894 165 HG12 VAL 2 HG12 VAL 2 16.690 -8.256 -10.746 166 HG13 VAL 2 HG13 VAL 2 16.779 -6.806 -11.766 167 HG21 VAL 2 HG21 VAL 2 14.902 -5.716 -10.534 168 HG22 VAL 2 HG22 VAL 2 14.743 -7.205 -9.588 169 HG23 VAL 2 HG23 VAL 2 14.919 -5.632 -8.767 170 H ASN 3 H ASN 3 18.723 -4.850 -8.063 171 HA ASN 3 HA ASN 3 17.202 -3.614 -5.859 172 HB2 ASN 3 HB2 ASN 3 19.374 -3.136 -4.655 173 HB3 ASN 3 HB3 ASN 3 18.806 -4.796 -4.588 174 HD21 ASN 3 HD21 ASN 3 20.997 -2.769 -6.597 175 HD22 ASN 3 HD22 ASN 3 22.230 -4.029 -6.741 176 H GLN 4 H GLN 4 16.579 -2.631 -7.970 177 HA GLN 4 HA GLN 4 18.179 -0.210 -8.610 178 HB2 GLN 4 HB2 GLN 4 17.105 -2.152 -10.704 179 HB3 GLN 4 HB3 GLN 4 17.743 -0.548 -11.024 180 HG2 GLN 4 HG2 GLN 4 19.686 -1.546 -11.410 181 HG3 GLN 4 HG3 GLN 4 19.880 -1.585 -9.669 182 HE21 GLN 4 HE21 GLN 4 18.806 -3.521 -12.513 183 HE22 GLN 4 HE22 GLN 4 19.112 -5.070 -11.739 184 H HIS 5 H HIS 5 16.779 1.257 -10.113 185 HA HIS 5 HA HIS 5 14.070 1.567 -9.010 186 HB2 HIS 5 HB2 HIS 5 15.581 2.984 -11.244 187 HB3 HIS 5 HB3 HIS 5 13.895 3.324 -10.836 188 HD1 HIS 5 HD1 HIS 5 13.758 5.496 -9.490 189 HD2 HIS 5 HD2 HIS 5 17.140 3.146 -8.617 190 HE1 HIS 5 HE1 HIS 5 15.142 6.819 -7.796 191 H LEU 6 H LEU 6 12.201 1.114 -10.035 192 HA LEU 6 HA LEU 6 12.118 -0.196 -12.709 193 HB2 LEU 6 HB2 LEU 6 10.829 -1.293 -10.168 194 HB3 LEU 6 HB3 LEU 6 10.556 -1.912 -11.789 195 HG LEU 6 HG LEU 6 13.268 -1.943 -10.413 196 HD11 LEU 6 HD11 LEU 6 12.815 -4.337 -10.004 197 HD12 LEU 6 HD12 LEU 6 11.164 -4.108 -10.619 198 HD13 LEU 6 HD13 LEU 6 11.695 -3.286 -9.134 199 HD21 LEU 6 HD21 LEU 6 13.853 -3.625 -12.086 200 HD22 LEU 6 HD22 LEU 6 13.365 -2.136 -12.898 201 HD23 LEU 6 HD23 LEU 6 12.241 -3.518 -12.812 202 H CYS 7 H CYS 7 10.792 1.146 -13.847 203 HA CYS 7 HA CYS 7 8.303 2.138 -12.528 204 HB2 CYS 7 HB2 CYS 7 10.227 3.819 -12.611 205 HB3 CYS 7 HB3 CYS 7 9.972 3.866 -14.352 206 H GLY 8 H GLY 8 6.519 2.498 -13.864 207 HA2 GLY 8 HA2 GLY 8 5.059 2.012 -15.604 208 HA3 GLY 8 HA3 GLY 8 6.429 2.229 -16.693 209 H SER 9 H SER 9 6.745 0.495 -17.964 210 HA SER 9 HA SER 9 5.560 -2.063 -17.650 211 HB2 SER 9 HB2 SER 9 7.110 -2.723 -19.467 212 HB3 SER 9 HB3 SER 9 6.168 -1.265 -19.803 213 HG SER 9 HG SER 9 8.378 -0.993 -20.367 214 H HIS 10 H HIS 10 8.748 -0.880 -16.595 215 HA HIS 10 HA HIS 10 9.842 -3.491 -15.967 216 HB2 HIS 10 HB2 HIS 10 10.556 -0.681 -15.036 217 HB3 HIS 10 HB3 HIS 10 11.436 -2.119 -14.557 218 HD1 HIS 10 HD1 HIS 10 13.276 -2.962 -16.186 219 HD2 HIS 10 HD2 HIS 10 10.679 -0.061 -17.773 220 HE1 HIS 10 HE1 HIS 10 14.303 -2.229 -18.392 221 H LEU 11 H LEU 11 7.969 -1.099 -14.152 222 HA LEU 11 HA LEU 11 8.239 -2.327 -11.555 223 HB2 LEU 11 HB2 LEU 11 7.600 0.018 -12.008 224 HB3 LEU 11 HB3 LEU 11 6.054 -0.487 -12.660 225 HG LEU 11 HG LEU 11 6.867 -1.246 -9.840 226 HD11 LEU 11 HD11 LEU 11 5.457 1.329 -10.688 227 HD12 LEU 11 HD12 LEU 11 7.137 1.227 -10.113 228 HD13 LEU 11 HD13 LEU 11 5.817 0.810 -9.022 229 HD21 LEU 11 HD21 LEU 11 4.165 -0.787 -11.184 230 HD22 LEU 11 HD22 LEU 11 4.394 -1.087 -9.454 231 HD23 LEU 11 HD23 LEU 11 4.814 -2.340 -10.607 232 H VAL 12 H VAL 12 5.624 -2.475 -14.072 233 HA VAL 12 HA VAL 12 4.059 -4.290 -12.470 234 HB VAL 12 HB VAL 12 2.633 -4.579 -14.417 235 HG11 VAL 12 HG11 VAL 12 1.804 -2.285 -14.487 236 HG12 VAL 12 HG12 VAL 12 2.366 -2.655 -12.849 237 HG13 VAL 12 HG13 VAL 12 3.365 -1.663 -13.931 238 HG21 VAL 12 HG21 VAL 12 2.933 -3.256 -16.457 239 HG22 VAL 12 HG22 VAL 12 4.529 -2.755 -15.900 240 HG23 VAL 12 HG23 VAL 12 4.211 -4.458 -16.287 241 H GLU 13 H GLU 13 6.378 -4.900 -15.108 242 HA GLU 13 HA GLU 13 5.822 -7.707 -15.324 243 HB2 GLU 13 HB2 GLU 13 7.091 -6.350 -16.994 244 HB3 GLU 13 HB3 GLU 13 8.441 -6.223 -15.845 245 HG2 GLU 13 HG2 GLU 13 8.725 -8.675 -15.901 246 HG3 GLU 13 HG3 GLU 13 7.310 -8.840 -16.946 247 H ALA 14 H ALA 14 8.180 -5.915 -13.293 248 HA ALA 14 HA ALA 14 9.323 -8.250 -12.058 249 HB1 ALA 14 HB1 ALA 14 10.229 -6.574 -10.470 250 HB2 ALA 14 HB2 ALA 14 10.458 -6.080 -12.165 251 HB3 ALA 14 HB3 ALA 14 9.166 -5.346 -11.186 252 H LEU 15 H LEU 15 6.692 -6.001 -11.011 253 HA LEU 15 HA LEU 15 6.213 -7.290 -8.512 254 HB2 LEU 15 HB2 LEU 15 5.570 -5.007 -8.897 255 HB3 LEU 15 HB3 LEU 15 4.601 -5.450 -10.313 256 HG LEU 15 HG LEU 15 2.961 -6.515 -8.928 257 HD11 LEU 15 HD11 LEU 15 4.635 -5.700 -6.513 258 HD12 LEU 15 HD12 LEU 15 4.443 -7.363 -7.089 259 HD13 LEU 15 HD13 LEU 15 3.045 -6.497 -6.494 260 HD21 LEU 15 HD21 LEU 15 3.799 -3.792 -7.815 261 HD22 LEU 15 HD22 LEU 15 2.179 -4.492 -7.688 262 HD23 LEU 15 HD23 LEU 15 2.842 -4.056 -9.280 263 H TYR 16 H TYR 16 4.720 -7.822 -11.774 264 HA TYR 16 HA TYR 16 2.971 -9.936 -10.894 265 HB2 TYR 16 HB2 TYR 16 2.857 -8.568 -13.027 266 HB3 TYR 16 HB3 TYR 16 4.203 -9.507 -13.648 267 HD1 TYR 16 HD2 TYR 16 0.644 -9.566 -12.561 268 HD2 TYR 16 HD1 TYR 16 3.821 -11.837 -14.414 269 HE1 TYR 16 HE2 TYR 16 -1.021 -11.214 -13.390 270 HE2 TYR 16 HE1 TYR 16 2.146 -13.495 -15.224 271 HH TYR 16 HH TYR 16 -1.373 -13.105 -14.631 272 H LEU 17 H LEU 17 6.352 -10.044 -12.105 273 HA LEU 17 HA LEU 17 6.617 -12.884 -12.039 274 HB2 LEU 17 HB2 LEU 17 8.164 -11.348 -13.186 275 HB3 LEU 17 HB3 LEU 17 8.653 -10.655 -11.642 276 HG LEU 17 HG LEU 17 9.658 -12.830 -10.967 277 HD11 LEU 17 HD11 LEU 17 8.909 -13.692 -13.798 278 HD12 LEU 17 HD12 LEU 17 8.290 -14.400 -12.286 279 HD13 LEU 17 HD13 LEU 17 9.995 -14.578 -12.706 280 HD21 LEU 17 HD21 LEU 17 10.597 -11.801 -13.670 281 HD22 LEU 17 HD22 LEU 17 11.561 -12.732 -12.505 282 HD23 LEU 17 HD23 LEU 17 11.007 -11.101 -12.088 283 H VAL 18 H VAL 18 6.944 -10.442 -9.452 284 HA VAL 18 HA VAL 18 7.872 -12.357 -7.442 285 HB VAL 18 HB VAL 18 7.000 -9.453 -7.380 286 HG11 VAL 18 HG11 VAL 18 7.712 -9.489 -4.947 287 HG12 VAL 18 HG12 VAL 18 6.149 -10.235 -5.283 288 HG13 VAL 18 HG13 VAL 18 7.575 -11.258 -5.011 289 HG21 VAL 18 HG21 VAL 18 9.600 -10.908 -6.705 290 HG22 VAL 18 HG22 VAL 18 9.282 -10.005 -8.195 291 HG23 VAL 18 HG23 VAL 18 9.346 -9.153 -6.648 292 H CYS 19 H CYS 19 4.679 -10.956 -8.308 293 HA CYS 19 HA CYS 19 3.287 -12.348 -6.197 294 HB2 CYS 19 HB2 CYS 19 2.304 -11.119 -8.801 295 HB3 CYS 19 HB3 CYS 19 1.276 -11.637 -7.463 296 H GLY 20 H GLY 20 4.384 -13.301 -9.368 297 HA2 GLY 20 HA2 GLY 20 4.476 -15.302 -10.399 298 HA3 GLY 20 HA3 GLY 20 4.128 -16.067 -8.833 299 H GLU 21 H GLU 21 2.526 -14.245 -11.434 300 HA GLU 21 HA GLU 21 0.619 -14.469 -12.589 301 HB2 GLU 21 HB2 GLU 21 1.641 -16.873 -12.741 302 HB3 GLU 21 HB3 GLU 21 0.239 -17.337 -11.778 303 HG2 GLU 21 HG2 GLU 21 -1.232 -16.338 -13.575 304 HG3 GLU 21 HG3 GLU 21 0.216 -15.950 -14.493 305 H ARG 22 H ARG 22 0.472 -14.430 -9.284 306 HA ARG 22 HA ARG 22 -2.382 -14.774 -8.850 307 HB2 ARG 22 HB2 ARG 22 -0.166 -13.319 -7.359 308 HB3 ARG 22 HB3 ARG 22 -1.814 -13.315 -6.792 309 HG2 ARG 22 HG2 ARG 22 -0.215 -15.870 -7.255 310 HG3 ARG 22 HG3 ARG 22 -0.301 -15.020 -5.709 311 HD2 ARG 22 HD2 ARG 22 -2.678 -16.214 -7.189 312 HD3 ARG 22 HD3 ARG 22 -1.846 -16.922 -5.797 313 HE ARG 22 HE ARG 22 -2.835 -14.188 -5.333 314 HH11 ARG 22 HH21 ARG 22 -3.814 -17.558 -5.132 315 HH12 ARG 22 HH22 ARG 22 -5.028 -17.209 -3.927 316 HH21 ARG 22 HH11 ARG 22 -4.318 -13.824 -3.830 317 HH22 ARG 22 HH12 ARG 22 -5.303 -15.127 -3.185 318 H GLY 23 H GLY 23 -0.387 -11.985 -9.680 319 HA2 GLY 23 HA2 GLY 23 -1.139 -9.963 -10.712 320 HA3 GLY 23 HA3 GLY 23 -2.790 -10.310 -10.227 321 H PHE 24 H PHE 24 -2.018 -7.891 -9.798 322 HA PHE 24 HA PHE 24 -1.423 -7.537 -6.903 323 HB2 PHE 24 HB2 PHE 24 0.237 -5.809 -7.491 324 HB3 PHE 24 HB3 PHE 24 0.704 -7.416 -8.007 325 HD1 PHE 24 HD1 PHE 24 0.576 -8.053 -10.466 326 HD2 PHE 24 HD2 PHE 24 0.100 -4.001 -9.092 327 HE1 PHE 24 HE1 PHE 24 0.848 -7.219 -12.790 328 HE2 PHE 24 HE2 PHE 24 0.328 -3.175 -11.412 329 HZ PHE 24 HZ PHE 24 0.674 -4.787 -13.272 330 H PHE 25 H PHE 25 -2.269 -5.681 -9.845 331 HA PHE 25 HA PHE 25 -3.354 -3.755 -10.157 332 HB2 PHE 25 HB2 PHE 25 -5.172 -5.463 -9.719 333 HB3 PHE 25 HB3 PHE 25 -5.385 -4.739 -8.136 334 HD1 PHE 25 HD1 PHE 25 -4.670 -2.059 -10.477 335 HD2 PHE 25 HD2 PHE 25 -7.754 -4.808 -9.221 336 HE1 PHE 25 HE1 PHE 25 -6.376 -0.627 -11.520 337 HE2 PHE 25 HE2 PHE 25 -9.462 -3.359 -10.277 338 HZ PHE 25 HZ PHE 25 -8.781 -1.262 -11.433 339 H TYR 26 H TYR 26 -1.321 -3.631 -8.154 340 HA TYR 26 HA TYR 26 -0.397 -2.309 -6.554 341 HB2 TYR 26 HB2 TYR 26 -0.390 0.093 -7.260 342 HB3 TYR 26 HB3 TYR 26 0.052 -1.102 -8.450 343 HD1 TYR 26 HD1 TYR 26 -2.800 1.104 -7.373 344 HD2 TYR 26 HD2 TYR 26 -1.051 -1.250 -10.546 345 HE1 TYR 26 HE1 TYR 26 -4.397 2.102 -8.998 346 HE2 TYR 26 HE2 TYR 26 -2.683 -0.277 -12.162 347 HH TYR 26 HH TYR 26 -5.105 2.176 -11.177 348 H THR 27 H THR 27 -2.701 -3.324 -5.495 349 HA THR 27 HA THR 27 -4.261 -3.150 -3.920 350 HB THR 27 HB THR 27 -3.670 -2.171 -1.803 351 HG1 THR 27 HG1 THR 27 -1.795 -1.018 -1.537 352 HG21 THR 27 HG21 THR 27 -1.249 -3.414 -3.169 353 HG22 THR 27 HG22 THR 27 -2.627 -4.322 -2.504 354 HG23 THR 27 HG23 THR 27 -1.572 -3.385 -1.424 355 H LYS 28 H LYS 28 -4.807 -1.470 -6.069 356 HA LYS 28 HA LYS 28 -5.866 1.048 -5.591 357 HB2 LYS 28 HB2 LYS 28 -5.598 0.060 -7.743 358 HB3 LYS 28 HB3 LYS 28 -6.819 -1.163 -7.445 359 HG2 LYS 28 HG2 LYS 28 -7.648 1.733 -7.225 360 HG3 LYS 28 HG3 LYS 28 -7.266 1.108 -8.827 361 HD2 LYS 28 HD2 LYS 28 -8.923 -0.659 -8.634 362 HD3 LYS 28 HD3 LYS 28 -9.289 -0.196 -6.973 363 HE2 LYS 28 HE2 LYS 28 -10.031 2.042 -7.755 364 HE3 LYS 28 HE3 LYS 28 -9.720 1.555 -9.427 365 HZ1 LYS 28 HZ1 LYS 28 -12.075 1.253 -8.724 366 HZ2 LYS 28 HZ2 LYS 28 -11.603 0.140 -7.605 367 HZ3 LYS 28 HZ3 LYS 28 -11.403 -0.168 -9.193 368 HA PRO 29 HA PRO 29 -9.273 0.050 -2.760 369 HB2 PRO 29 HB2 PRO 29 -9.834 2.984 -3.005 370 HB3 PRO 29 HB3 PRO 29 -9.683 1.977 -1.535 371 HG2 PRO 29 HG2 PRO 29 -7.673 3.643 -2.280 372 HG3 PRO 29 HG3 PRO 29 -7.296 1.990 -1.679 373 HD2 PRO 29 HD2 PRO 29 -7.502 2.939 -4.557 374 HD3 PRO 29 HD3 PRO 29 -6.206 1.986 -3.763 375 H THR 30 H THR 30 -11.471 -0.306 -2.986 376 HA THR 30 HA THR 30 -13.026 0.929 -5.190 377 HB THR 30 HB THR 30 -12.955 -2.080 -4.770 378 HG1 THR 30 HG1 THR 30 -11.127 -1.565 -5.804 379 HG21 THR 30 HG21 THR 30 -14.315 -0.331 -6.869 380 HG22 THR 30 HG22 THR 30 -15.132 -1.280 -5.609 381 HG23 THR 30 HG23 THR 30 -14.242 -2.106 -6.896 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 0.957 3.070 -2.162 2 H2 GLY 1 H2 GLY 1 -0.192 4.159 -2.589 3 H3 GLY 1 H3 GLY 1 1.380 4.632 -2.484 4 HA2 GLY 1 HA2 GLY 1 0.256 2.725 -4.429 5 HA3 GLY 1 HA3 GLY 1 0.750 4.390 -4.788 6 H ILE 2 H ILE 2 1.682 1.520 -5.580 7 HA ILE 2 HA ILE 2 4.297 1.097 -4.581 8 HB ILE 2 HB ILE 2 2.942 -0.607 -5.669 9 HG12 ILE 2 HG12 ILE 2 5.634 -0.192 -7.045 10 HG13 ILE 2 HG13 ILE 2 5.400 -0.835 -5.426 11 HG21 ILE 2 HG21 ILE 2 2.006 0.834 -7.469 12 HG22 ILE 2 HG22 ILE 2 3.555 0.822 -8.292 13 HG23 ILE 2 HG23 ILE 2 2.635 -0.690 -8.081 14 HD11 ILE 2 HD11 ILE 2 4.574 -2.063 -8.059 15 HD12 ILE 2 HD12 ILE 2 5.799 -2.623 -6.921 16 HD13 ILE 2 HD13 ILE 2 4.081 -2.716 -6.473 17 H VAL 3 H VAL 3 3.320 3.405 -7.028 18 HA VAL 3 HA VAL 3 5.817 3.866 -8.322 19 HB VAL 3 HB VAL 3 3.617 5.808 -7.539 20 HG11 VAL 3 HG11 VAL 3 5.754 6.118 -9.696 21 HG12 VAL 3 HG12 VAL 3 4.408 7.231 -9.390 22 HG13 VAL 3 HG13 VAL 3 5.679 7.051 -8.179 23 HG21 VAL 3 HG21 VAL 3 2.847 5.487 -9.882 24 HG22 VAL 3 HG22 VAL 3 4.106 4.259 -10.119 25 HG23 VAL 3 HG23 VAL 3 2.780 3.985 -8.970 26 H GLU 4 H GLU 4 4.683 4.801 -5.094 27 HA GLU 4 HA GLU 4 6.945 6.496 -4.397 28 HB2 GLU 4 HB2 GLU 4 4.943 5.105 -2.580 29 HB3 GLU 4 HB3 GLU 4 5.940 6.498 -2.182 30 HG2 GLU 4 HG2 GLU 4 4.689 7.930 -3.685 31 HG3 GLU 4 HG3 GLU 4 3.760 6.571 -4.312 32 H GLN 5 H GLN 5 6.684 3.159 -4.749 33 HA GLN 5 HA GLN 5 8.705 2.461 -2.668 34 HB2 GLN 5 HB2 GLN 5 6.482 1.252 -2.773 35 HB3 GLN 5 HB3 GLN 5 6.943 0.628 -4.347 36 HG2 GLN 5 HG2 GLN 5 7.491 -1.119 -2.970 37 HG3 GLN 5 HG3 GLN 5 9.044 -0.337 -3.186 38 HE21 GLN 5 HE21 GLN 5 6.195 -0.267 -0.954 39 HE22 GLN 5 HE22 GLN 5 7.174 -0.106 0.504 40 H CYS 6 H CYS 6 7.913 1.816 -6.098 41 HA CYS 6 HA CYS 6 10.693 0.881 -6.590 42 HB2 CYS 6 HB2 CYS 6 8.061 0.469 -8.031 43 HB3 CYS 6 HB3 CYS 6 9.606 -0.177 -8.569 44 H CYS 7 H CYS 7 8.505 3.463 -7.747 45 HA CYS 7 HA CYS 7 10.238 3.942 -10.090 46 HB2 CYS 7 HB2 CYS 7 7.742 4.144 -10.149 47 HB3 CYS 7 HB3 CYS 7 7.902 5.594 -9.148 48 H THR 8 H THR 8 9.346 5.676 -7.051 49 HA THR 8 HA THR 8 11.329 7.777 -7.470 50 HB THR 8 HB THR 8 10.579 8.588 -5.271 51 HG1 THR 8 HG1 THR 8 9.129 7.470 -4.107 52 HG21 THR 8 HG21 THR 8 9.246 9.180 -7.297 53 HG22 THR 8 HG22 THR 8 8.262 9.100 -5.824 54 HG23 THR 8 HG23 THR 8 8.204 7.774 -7.001 55 H SER 9 H SER 9 11.582 4.641 -6.126 56 HA SER 9 HA SER 9 14.290 5.174 -5.094 57 HB2 SER 9 HB2 SER 9 12.602 5.553 -3.209 58 HB3 SER 9 HB3 SER 9 12.246 3.821 -3.304 59 HG SER 9 HG SER 9 13.916 4.355 -1.762 60 H ILE 10 H ILE 10 15.256 3.018 -4.300 61 HA ILE 10 HA ILE 10 14.889 0.907 -6.303 62 HB ILE 10 HB ILE 10 16.635 1.118 -3.815 63 HG12 ILE 10 HG12 ILE 10 17.217 1.240 -6.803 64 HG13 ILE 10 HG13 ILE 10 17.296 2.572 -5.660 65 HG21 ILE 10 HG21 ILE 10 17.733 -0.983 -4.574 66 HG22 ILE 10 HG22 ILE 10 16.083 -1.254 -4.097 67 HG23 ILE 10 HG23 ILE 10 16.479 -1.167 -5.826 68 HD11 ILE 10 HD11 ILE 10 19.533 1.897 -6.120 69 HD12 ILE 10 HD12 ILE 10 19.164 1.363 -4.468 70 HD13 ILE 10 HD13 ILE 10 19.176 0.196 -5.812 71 H CYS 11 H CYS 11 13.887 -1.080 -6.035 72 HA CYS 11 HA CYS 11 12.717 -1.743 -3.415 73 HB2 CYS 11 HB2 CYS 11 10.536 -2.066 -4.154 74 HB3 CYS 11 HB3 CYS 11 11.013 -0.509 -4.804 75 H SER 12 H SER 12 11.801 -3.943 -3.369 76 HA SER 12 HA SER 12 13.478 -5.902 -4.858 77 HB2 SER 12 HB2 SER 12 13.200 -5.673 -1.825 78 HB3 SER 12 HB3 SER 12 14.104 -6.935 -2.706 79 HG SER 12 HG SER 12 15.468 -5.240 -1.957 80 H LEU 13 H LEU 13 12.738 -8.189 -4.443 81 HA LEU 13 HA LEU 13 10.030 -8.694 -4.681 82 HB2 LEU 13 HB2 LEU 13 10.537 -10.985 -4.327 83 HB3 LEU 13 HB3 LEU 13 11.835 -10.221 -5.205 84 HG LEU 13 HG LEU 13 12.911 -10.038 -2.715 85 HD11 LEU 13 HD11 LEU 13 12.457 -12.104 -1.465 86 HD12 LEU 13 HD12 LEU 13 11.221 -12.582 -2.640 87 HD13 LEU 13 HD13 LEU 13 10.972 -11.171 -1.594 88 HD21 LEU 13 HD21 LEU 13 13.986 -11.102 -4.638 89 HD22 LEU 13 HD22 LEU 13 12.932 -12.521 -4.471 90 HD23 LEU 13 HD23 LEU 13 14.117 -12.130 -3.202 91 H TYR 14 H TYR 14 11.822 -8.328 -1.652 92 HA TYR 14 HA TYR 14 9.800 -9.142 0.150 93 HB2 TYR 14 HB2 TYR 14 11.998 -7.072 0.575 94 HB3 TYR 14 HB3 TYR 14 11.133 -7.936 1.828 95 HD1 TYR 14 HD1 TYR 14 11.295 -10.522 1.878 96 HD2 TYR 14 HD2 TYR 14 13.995 -8.018 -0.376 97 HE1 TYR 14 HE1 TYR 14 12.951 -12.387 1.770 98 HE2 TYR 14 HE2 TYR 14 15.641 -9.874 -0.478 99 HH TYR 14 HH TYR 14 16.110 -12.042 0.108 100 H GLN 15 H GLN 15 10.110 -6.223 -1.673 101 HA GLN 15 HA GLN 15 8.013 -4.730 -0.158 102 HB2 GLN 15 HB2 GLN 15 9.412 -3.823 -2.673 103 HB3 GLN 15 HB3 GLN 15 8.557 -2.874 -1.465 104 HG2 GLN 15 HG2 GLN 15 11.287 -4.213 -1.173 105 HG3 GLN 15 HG3 GLN 15 10.925 -2.495 -1.289 106 HE21 GLN 15 HE21 GLN 15 9.842 -1.431 0.558 107 HE22 GLN 15 HE22 GLN 15 10.026 -2.173 2.153 108 H LEU 16 H LEU 16 8.684 -6.160 -3.358 109 HA LEU 16 HA LEU 16 6.278 -5.443 -4.642 110 HB2 LEU 16 HB2 LEU 16 8.269 -7.671 -5.029 111 HB3 LEU 16 HB3 LEU 16 6.980 -7.403 -6.169 112 HG LEU 16 HG LEU 16 9.098 -5.309 -5.478 113 HD11 LEU 16 HD11 LEU 16 10.038 -5.848 -7.692 114 HD12 LEU 16 HD12 LEU 16 8.844 -7.154 -7.891 115 HD13 LEU 16 HD13 LEU 16 10.080 -7.249 -6.615 116 HD21 LEU 16 HD21 LEU 16 7.008 -5.441 -7.665 117 HD22 LEU 16 HD22 LEU 16 8.301 -4.234 -7.563 118 HD23 LEU 16 HD23 LEU 16 7.054 -4.293 -6.310 119 H GLU 17 H GLU 17 6.910 -8.379 -2.649 120 HA GLU 17 HA GLU 17 4.441 -9.675 -3.116 121 HB2 GLU 17 HB2 GLU 17 6.276 -9.577 -0.690 122 HB3 GLU 17 HB3 GLU 17 4.826 -10.587 -0.749 123 HG2 GLU 17 HG2 GLU 17 5.677 -11.592 -2.894 124 HG3 GLU 17 HG3 GLU 17 7.205 -10.781 -2.619 125 H ASN 18 H ASN 18 4.876 -6.664 -1.379 126 HA ASN 18 HA ASN 18 2.476 -6.962 0.260 127 HB2 ASN 18 HB2 ASN 18 4.221 -4.534 -0.349 128 HB3 ASN 18 HB3 ASN 18 2.897 -4.559 0.806 129 HD21 ASN 18 HD21 ASN 18 6.134 -5.545 0.156 130 HD22 ASN 18 HD22 ASN 18 6.501 -6.206 1.744 131 H TYR 19 H TYR 19 2.788 -6.487 -3.040 132 HA TYR 19 HA TYR 19 0.255 -4.889 -3.233 133 HB2 TYR 19 HB2 TYR 19 2.492 -5.229 -5.226 134 HB3 TYR 19 HB3 TYR 19 1.081 -4.209 -5.445 135 HD1 TYR 19 HD1 TYR 19 0.718 -2.329 -3.643 136 HD2 TYR 19 HD2 TYR 19 4.448 -4.331 -4.396 137 HE1 TYR 19 HE1 TYR 19 1.931 -0.478 -2.483 138 HE2 TYR 19 HE2 TYR 19 5.666 -2.550 -3.149 139 HH TYR 19 HH TYR 19 3.941 0.263 -1.707 140 H CYS 20 H CYS 20 1.090 -8.122 -3.397 141 HA CYS 20 HA CYS 20 -0.124 -8.780 -5.927 142 HB2 CYS 20 HB2 CYS 20 0.502 -10.637 -3.628 143 HB3 CYS 20 HB3 CYS 20 0.174 -11.065 -5.319 144 H ASN 21 H ASN 21 -1.912 -10.100 -6.334 145 HA ASN 21 HA ASN 21 -4.324 -9.608 -4.687 146 HB2 ASN 21 HB2 ASN 21 -4.588 -9.063 -7.001 147 HB3 ASN 21 HB3 ASN 21 -3.774 -10.534 -7.520 148 HD21 ASN 21 HD21 ASN 21 -4.945 -12.315 -7.981 149 HD22 ASN 21 HD22 ASN 21 -6.683 -12.448 -7.684 150 H1 PHE 1 H1 PHE 1 15.792 -7.738 -9.398 151 H2 PHE 1 H2 PHE 1 14.391 -8.013 -10.190 152 H3 PHE 1 H3 PHE 1 14.936 -9.102 -9.098 153 HA PHE 1 HA PHE 1 14.013 -6.374 -8.506 154 HB2 PHE 1 HB2 PHE 1 12.219 -7.783 -7.169 155 HB3 PHE 1 HB3 PHE 1 12.038 -7.295 -8.835 156 HD1 PHE 1 HD1 PHE 1 13.419 -10.211 -6.849 157 HD2 PHE 1 HD2 PHE 1 11.467 -8.861 -10.464 158 HE1 PHE 1 HE1 PHE 1 13.203 -12.549 -7.610 159 HE2 PHE 1 HE2 PHE 1 11.300 -11.198 -11.234 160 HZ PHE 1 HZ PHE 1 12.145 -13.062 -9.812 161 H VAL 2 H VAL 2 16.273 -6.247 -7.604 162 HA VAL 2 HA VAL 2 16.296 -6.903 -4.708 163 HB VAL 2 HB VAL 2 18.585 -7.646 -6.587 164 HG11 VAL 2 HG11 VAL 2 18.324 -7.919 -3.556 165 HG12 VAL 2 HG12 VAL 2 19.639 -8.609 -4.529 166 HG13 VAL 2 HG13 VAL 2 19.457 -6.858 -4.418 167 HG21 VAL 2 HG21 VAL 2 18.217 -9.975 -5.774 168 HG22 VAL 2 HG22 VAL 2 16.740 -9.439 -4.941 169 HG23 VAL 2 HG23 VAL 2 16.858 -9.378 -6.713 170 H ASN 3 H ASN 3 17.829 -5.295 -7.493 171 HA ASN 3 HA ASN 3 18.265 -2.855 -5.878 172 HB2 ASN 3 HB2 ASN 3 20.412 -2.515 -6.974 173 HB3 ASN 3 HB3 ASN 3 20.403 -4.058 -6.147 174 HD21 ASN 3 HD21 ASN 3 22.379 -3.969 -7.794 175 HD22 ASN 3 HD22 ASN 3 22.038 -4.771 -9.319 176 H GLN 4 H GLN 4 18.950 -1.105 -7.734 177 HA GLN 4 HA GLN 4 18.291 0.348 -9.223 178 HB2 GLN 4 HB2 GLN 4 17.253 -2.041 -10.762 179 HB3 GLN 4 HB3 GLN 4 17.593 -0.435 -11.393 180 HG2 GLN 4 HG2 GLN 4 19.927 -0.657 -11.189 181 HG3 GLN 4 HG3 GLN 4 19.804 -2.023 -10.087 182 HE21 GLN 4 HE21 GLN 4 19.333 -4.162 -10.894 183 HE22 GLN 4 HE22 GLN 4 19.458 -4.475 -12.627 184 H HIS 5 H HIS 5 16.621 1.539 -10.288 185 HA HIS 5 HA HIS 5 14.024 1.502 -8.872 186 HB2 HIS 5 HB2 HIS 5 15.194 3.302 -11.028 187 HB3 HIS 5 HB3 HIS 5 13.545 3.420 -10.438 188 HD1 HIS 5 HD1 HIS 5 13.456 5.531 -9.010 189 HD2 HIS 5 HD2 HIS 5 16.921 3.209 -8.399 190 HE1 HIS 5 HE1 HIS 5 14.833 6.727 -7.218 191 H LEU 6 H LEU 6 12.083 1.038 -9.852 192 HA LEU 6 HA LEU 6 12.037 -0.173 -12.587 193 HB2 LEU 6 HB2 LEU 6 10.797 -1.368 -10.080 194 HB3 LEU 6 HB3 LEU 6 10.546 -1.954 -11.717 195 HG LEU 6 HG LEU 6 13.242 -1.933 -10.305 196 HD11 LEU 6 HD11 LEU 6 11.249 -4.185 -10.701 197 HD12 LEU 6 HD12 LEU 6 11.665 -3.415 -9.157 198 HD13 LEU 6 HD13 LEU 6 12.888 -4.360 -10.032 199 HD21 LEU 6 HD21 LEU 6 13.384 -2.006 -12.810 200 HD22 LEU 6 HD22 LEU 6 12.325 -3.442 -12.794 201 HD23 LEU 6 HD23 LEU 6 13.944 -3.499 -12.051 202 H CYS 7 H CYS 7 10.694 1.141 -13.703 203 HA CYS 7 HA CYS 7 8.180 2.057 -12.400 204 HB2 CYS 7 HB2 CYS 7 10.084 3.765 -12.381 205 HB3 CYS 7 HB3 CYS 7 9.856 3.886 -14.124 206 H GLY 8 H GLY 8 6.446 2.520 -13.835 207 HA2 GLY 8 HA2 GLY 8 5.056 2.016 -15.624 208 HA3 GLY 8 HA3 GLY 8 6.463 2.238 -16.659 209 H SER 9 H SER 9 6.820 0.495 -17.949 210 HA SER 9 HA SER 9 5.594 -2.048 -17.646 211 HB2 SER 9 HB2 SER 9 7.129 -2.722 -19.461 212 HB3 SER 9 HB3 SER 9 6.227 -1.230 -19.795 213 HG SER 9 HG SER 9 8.472 -1.040 -20.325 214 H HIS 10 H HIS 10 8.784 -0.905 -16.538 215 HA HIS 10 HA HIS 10 9.868 -3.534 -15.966 216 HB2 HIS 10 HB2 HIS 10 10.566 -0.735 -14.974 217 HB3 HIS 10 HB3 HIS 10 11.442 -2.179 -14.501 218 HD1 HIS 10 HD1 HIS 10 13.286 -3.040 -16.130 219 HD2 HIS 10 HD2 HIS 10 10.737 -0.079 -17.695 220 HE1 HIS 10 HE1 HIS 10 14.323 -2.313 -18.331 221 H LEU 11 H LEU 11 8.011 -1.155 -14.111 222 HA LEU 11 HA LEU 11 8.225 -2.382 -11.535 223 HB2 LEU 11 HB2 LEU 11 7.647 -0.072 -11.929 224 HB3 LEU 11 HB3 LEU 11 6.185 -0.477 -12.780 225 HG LEU 11 HG LEU 11 6.521 -1.334 -9.903 226 HD11 LEU 11 HD11 LEU 11 5.567 0.815 -9.198 227 HD12 LEU 11 HD12 LEU 11 5.517 1.386 -10.882 228 HD13 LEU 11 HD13 LEU 11 7.070 1.109 -10.060 229 HD21 LEU 11 HD21 LEU 11 4.144 -0.600 -11.686 230 HD22 LEU 11 HD22 LEU 11 4.014 -0.880 -9.948 231 HD23 LEU 11 HD23 LEU 11 4.516 -2.194 -10.997 232 H VAL 12 H VAL 12 5.646 -2.553 -14.075 233 HA VAL 12 HA VAL 12 4.059 -4.372 -12.483 234 HB VAL 12 HB VAL 12 2.655 -4.652 -14.459 235 HG11 VAL 12 HG11 VAL 12 1.800 -2.369 -14.505 236 HG12 VAL 12 HG12 VAL 12 2.323 -2.777 -12.865 237 HG13 VAL 12 HG13 VAL 12 3.344 -1.741 -13.891 238 HG21 VAL 12 HG21 VAL 12 2.967 -3.283 -16.469 239 HG22 VAL 12 HG22 VAL 12 4.553 -2.765 -15.872 240 HG23 VAL 12 HG23 VAL 12 4.264 -4.465 -16.306 241 H GLU 13 H GLU 13 6.405 -4.942 -15.113 242 HA GLU 13 HA GLU 13 5.842 -7.743 -15.382 243 HB2 GLU 13 HB2 GLU 13 7.111 -6.373 -17.013 244 HB3 GLU 13 HB3 GLU 13 8.456 -6.266 -15.864 245 HG2 GLU 13 HG2 GLU 13 8.727 -8.728 -15.950 246 HG3 GLU 13 HG3 GLU 13 7.323 -8.856 -17.008 247 H ALA 14 H ALA 14 8.221 -6.010 -13.318 248 HA ALA 14 HA ALA 14 9.329 -8.356 -12.085 249 HB1 ALA 14 HB1 ALA 14 10.442 -6.172 -12.129 250 HB2 ALA 14 HB2 ALA 14 9.132 -5.462 -11.155 251 HB3 ALA 14 HB3 ALA 14 10.193 -6.699 -10.445 252 H LEU 15 H LEU 15 6.678 -6.135 -11.058 253 HA LEU 15 HA LEU 15 6.087 -7.420 -8.603 254 HB2 LEU 15 HB2 LEU 15 5.348 -5.171 -9.088 255 HB3 LEU 15 HB3 LEU 15 4.519 -5.694 -10.559 256 HG LEU 15 HG LEU 15 2.840 -6.835 -9.251 257 HD11 LEU 15 HD11 LEU 15 2.728 -6.673 -6.837 258 HD12 LEU 15 HD12 LEU 15 4.258 -5.756 -6.777 259 HD13 LEU 15 HD13 LEU 15 4.233 -7.463 -7.261 260 HD21 LEU 15 HD21 LEU 15 1.871 -4.763 -8.163 261 HD22 LEU 15 HD22 LEU 15 2.504 -4.480 -9.798 262 HD23 LEU 15 HD23 LEU 15 3.435 -3.982 -8.390 263 H TYR 16 H TYR 16 4.724 -7.996 -11.893 264 HA TYR 16 HA TYR 16 2.891 -10.063 -11.102 265 HB2 TYR 16 HB2 TYR 16 2.932 -8.684 -13.226 266 HB3 TYR 16 HB3 TYR 16 4.264 -9.664 -13.792 267 HD1 TYR 16 HD1 TYR 16 0.662 -9.587 -12.888 268 HD2 TYR 16 HD2 TYR 16 3.833 -11.999 -14.545 269 HE1 TYR 16 HE1 TYR 16 -1.022 -11.202 -13.733 270 HE2 TYR 16 HE2 TYR 16 2.142 -13.628 -15.387 271 HH TYR 16 HH TYR 16 -1.385 -13.124 -14.887 272 H LEU 17 H LEU 17 6.320 -10.234 -12.191 273 HA LEU 17 HA LEU 17 6.518 -13.092 -12.183 274 HB2 LEU 17 HB2 LEU 17 8.058 -11.216 -13.145 275 HB3 LEU 17 HB3 LEU 17 8.790 -11.208 -11.559 276 HG LEU 17 HG LEU 17 10.065 -12.491 -13.123 277 HD11 LEU 17 HD11 LEU 17 9.899 -13.379 -10.752 278 HD12 LEU 17 HD12 LEU 17 10.455 -14.516 -11.995 279 HD13 LEU 17 HD13 LEU 17 8.796 -14.619 -11.392 280 HD21 LEU 17 HD21 LEU 17 8.257 -13.096 -14.696 281 HD22 LEU 17 HD22 LEU 17 7.705 -14.344 -13.561 282 HD23 LEU 17 HD23 LEU 17 9.316 -14.456 -14.290 283 H VAL 18 H VAL 18 6.967 -10.655 -9.576 284 HA VAL 18 HA VAL 18 7.853 -12.650 -7.631 285 HB VAL 18 HB VAL 18 7.077 -9.725 -7.380 286 HG11 VAL 18 HG11 VAL 18 8.008 -9.900 -5.040 287 HG12 VAL 18 HG12 VAL 18 6.457 -10.692 -5.244 288 HG13 VAL 18 HG13 VAL 18 7.956 -11.662 -5.188 289 HG21 VAL 18 HG21 VAL 18 9.713 -11.237 -7.018 290 HG22 VAL 18 HG22 VAL 18 9.278 -10.277 -8.435 291 HG23 VAL 18 HG23 VAL 18 9.480 -9.490 -6.872 292 H CYS 19 H CYS 19 4.688 -11.150 -8.404 293 HA CYS 19 HA CYS 19 3.286 -12.537 -6.297 294 HB2 CYS 19 HB2 CYS 19 2.332 -11.323 -8.911 295 HB3 CYS 19 HB3 CYS 19 1.284 -11.868 -7.603 296 H GLY 20 H GLY 20 4.296 -13.400 -9.551 297 HA2 GLY 20 HA2 GLY 20 4.508 -15.389 -10.585 298 HA3 GLY 20 HA3 GLY 20 4.160 -16.202 -9.053 299 H GLU 21 H GLU 21 2.531 -14.345 -11.619 300 HA GLU 21 HA GLU 21 0.629 -14.580 -12.793 301 HB2 GLU 21 HB2 GLU 21 1.725 -16.940 -13.017 302 HB3 GLU 21 HB3 GLU 21 0.346 -17.475 -12.051 303 HG2 GLU 21 HG2 GLU 21 -1.188 -16.530 -13.794 304 HG3 GLU 21 HG3 GLU 21 0.223 -16.002 -14.713 305 H ARG 22 H ARG 22 0.519 -14.601 -9.525 306 HA ARG 22 HA ARG 22 -2.332 -15.001 -9.037 307 HB2 ARG 22 HB2 ARG 22 -0.011 -13.691 -7.563 308 HB3 ARG 22 HB3 ARG 22 -1.630 -13.546 -6.955 309 HG2 ARG 22 HG2 ARG 22 -0.233 -16.203 -7.438 310 HG3 ARG 22 HG3 ARG 22 -0.332 -15.370 -5.879 311 HD2 ARG 22 HD2 ARG 22 -2.676 -16.495 -7.466 312 HD3 ARG 22 HD3 ARG 22 -1.970 -17.139 -5.980 313 HE ARG 22 HE ARG 22 -2.868 -14.372 -5.678 314 HH11 ARG 22 HH11 ARG 22 -4.110 -17.667 -5.569 315 HH12 ARG 22 HH12 ARG 22 -5.443 -17.191 -4.553 316 HH21 ARG 22 HH21 ARG 22 -4.515 -13.866 -4.422 317 HH22 ARG 22 HH22 ARG 22 -5.676 -15.078 -3.913 318 H GLY 23 H GLY 23 -0.544 -12.371 -10.367 319 HA2 GLY 23 HA2 GLY 23 -1.267 -10.287 -11.148 320 HA3 GLY 23 HA3 GLY 23 -2.892 -10.605 -10.545 321 H PHE 24 H PHE 24 -2.222 -8.197 -10.121 322 HA PHE 24 HA PHE 24 -1.541 -7.827 -7.265 323 HB2 PHE 24 HB2 PHE 24 0.209 -6.213 -7.852 324 HB3 PHE 24 HB3 PHE 24 0.592 -7.800 -8.473 325 HD1 PHE 24 HD2 PHE 24 -0.608 -4.384 -9.439 326 HD2 PHE 24 HD1 PHE 24 0.876 -8.190 -10.844 327 HE1 PHE 24 HE2 PHE 24 -0.354 -3.449 -11.719 328 HE2 PHE 24 HE1 PHE 24 1.134 -7.225 -13.130 329 HZ PHE 24 HZ PHE 24 0.488 -4.872 -13.567 330 H PHE 25 H PHE 25 -1.657 -5.548 -6.613 331 HA PHE 25 HA PHE 25 -3.285 -3.717 -8.263 332 HB2 PHE 25 HB2 PHE 25 -4.966 -4.683 -6.829 333 HB3 PHE 25 HB3 PHE 25 -3.946 -4.485 -5.405 334 HD1 PHE 25 HD2 PHE 25 -5.070 -2.210 -8.228 335 HD2 PHE 25 HD1 PHE 25 -4.754 -2.821 -3.968 336 HE1 PHE 25 HE2 PHE 25 -5.982 0.063 -7.832 337 HE2 PHE 25 HE1 PHE 25 -5.733 -0.570 -3.579 338 HZ PHE 25 HZ PHE 25 -6.316 0.887 -5.506 339 H TYR 26 H TYR 26 -2.474 -1.733 -8.250 340 HA TYR 26 HA TYR 26 0.126 -1.325 -7.000 341 HB2 TYR 26 HB2 TYR 26 0.074 0.680 -8.627 342 HB3 TYR 26 HB3 TYR 26 0.110 -0.955 -9.249 343 HD1 TYR 26 HD2 TYR 26 -2.201 1.891 -8.510 344 HD2 TYR 26 HD1 TYR 26 -1.583 -1.763 -10.704 345 HE1 TYR 26 HE2 TYR 26 -4.314 2.297 -9.790 346 HE2 TYR 26 HE1 TYR 26 -3.677 -1.356 -11.990 347 HH TYR 26 HH TYR 26 -5.475 0.038 -12.309 348 H THR 27 H THR 27 -2.797 -0.624 -5.721 349 HA THR 27 HA THR 27 -3.543 0.714 -4.086 350 HB THR 27 HB THR 27 -2.125 1.149 -2.220 351 HG1 THR 27 HG1 THR 27 -0.015 0.391 -3.942 352 HG21 THR 27 HG21 THR 27 -1.285 -1.132 -1.841 353 HG22 THR 27 HG22 THR 27 -1.468 -1.503 -3.567 354 HG23 THR 27 HG23 THR 27 -2.897 -1.154 -2.576 355 H LYS 28 H LYS 28 -3.477 2.132 -6.338 356 HA LYS 28 HA LYS 28 -2.651 4.889 -5.871 357 HB2 LYS 28 HB2 LYS 28 -2.972 3.935 -8.105 358 HB3 LYS 28 HB3 LYS 28 -4.702 3.721 -7.787 359 HG2 LYS 28 HG2 LYS 28 -4.915 6.204 -7.564 360 HG3 LYS 28 HG3 LYS 28 -3.195 6.379 -7.925 361 HD2 LYS 28 HD2 LYS 28 -5.289 5.158 -9.789 362 HD3 LYS 28 HD3 LYS 28 -4.693 6.821 -9.869 363 HE2 LYS 28 HE2 LYS 28 -2.384 5.989 -10.268 364 HE3 LYS 28 HE3 LYS 28 -2.979 4.324 -10.237 365 HZ1 LYS 28 HZ1 LYS 28 -2.812 5.156 -12.510 366 HZ2 LYS 28 HZ2 LYS 28 -3.829 6.389 -12.194 367 HZ3 LYS 28 HZ3 LYS 28 -4.376 4.850 -12.162 368 HA PRO 29 HA PRO 29 -5.966 5.960 -3.072 369 HB2 PRO 29 HB2 PRO 29 -5.906 8.681 -4.379 370 HB3 PRO 29 HB3 PRO 29 -5.874 8.271 -2.636 371 HG2 PRO 29 HG2 PRO 29 -3.590 8.981 -3.893 372 HG3 PRO 29 HG3 PRO 29 -3.584 7.575 -2.780 373 HD2 PRO 29 HD2 PRO 29 -3.780 7.567 -5.808 374 HD3 PRO 29 HD3 PRO 29 -2.737 6.587 -4.735 375 H THR 30 H THR 30 -6.441 6.554 -6.505 376 HA THR 30 HA THR 30 -9.118 7.420 -6.578 377 HB THR 30 HB THR 30 -7.681 5.767 -8.687 378 HG1 THR 30 HG1 THR 30 -7.083 7.894 -9.429 379 HG21 THR 30 HG21 THR 30 -9.874 7.888 -8.881 380 HG22 THR 30 HG22 THR 30 -10.078 6.148 -9.186 381 HG23 THR 30 HG23 THR 30 -9.059 7.112 -10.258 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 0.476 5.705 -3.359 2 H2 GLY 1 H2 GLY 1 2.012 6.100 -3.754 3 H3 GLY 1 H3 GLY 1 1.724 4.899 -2.673 4 HA2 GLY 1 HA2 GLY 1 0.705 3.516 -4.349 5 HA3 GLY 1 HA3 GLY 1 0.975 4.811 -5.531 6 H ILE 2 H ILE 2 1.978 2.083 -5.752 7 HA ILE 2 HA ILE 2 4.598 1.756 -4.826 8 HB ILE 2 HB ILE 2 3.153 -0.022 -5.659 9 HG12 ILE 2 HG12 ILE 2 5.872 0.095 -7.036 10 HG13 ILE 2 HG13 ILE 2 5.563 -0.343 -5.354 11 HG21 ILE 2 HG21 ILE 2 2.947 -0.457 -8.076 12 HG22 ILE 2 HG22 ILE 2 2.191 1.069 -7.626 13 HG23 ILE 2 HG23 ILE 2 3.761 1.079 -8.429 14 HD11 ILE 2 HD11 ILE 2 5.851 -2.353 -6.424 15 HD12 ILE 2 HD12 ILE 2 4.080 -2.223 -6.361 16 HD13 ILE 2 HD13 ILE 2 4.949 -1.867 -7.874 17 H VAL 3 H VAL 3 3.645 3.750 -7.552 18 HA VAL 3 HA VAL 3 6.136 3.893 -8.911 19 HB VAL 3 HB VAL 3 4.000 6.022 -8.470 20 HG11 VAL 3 HG11 VAL 3 4.861 7.109 -10.505 21 HG12 VAL 3 HG12 VAL 3 6.105 7.091 -9.258 22 HG13 VAL 3 HG13 VAL 3 6.181 5.928 -10.602 23 HG21 VAL 3 HG21 VAL 3 4.477 4.092 -10.788 24 HG22 VAL 3 HG22 VAL 3 3.138 4.009 -9.622 25 HG23 VAL 3 HG23 VAL 3 3.245 5.374 -10.736 26 H GLU 4 H GLU 4 5.077 5.370 -5.883 27 HA GLU 4 HA GLU 4 7.456 7.027 -5.507 28 HB2 GLU 4 HB2 GLU 4 5.291 6.194 -3.538 29 HB3 GLU 4 HB3 GLU 4 6.480 7.464 -3.294 30 HG2 GLU 4 HG2 GLU 4 5.529 8.822 -5.067 31 HG3 GLU 4 HG3 GLU 4 4.417 7.534 -5.541 32 H GLN 5 H GLN 5 6.933 3.709 -5.229 33 HA GLN 5 HA GLN 5 8.983 3.286 -3.109 34 HB2 GLN 5 HB2 GLN 5 6.697 2.137 -3.001 35 HB3 GLN 5 HB3 GLN 5 7.165 1.214 -4.429 36 HG2 GLN 5 HG2 GLN 5 7.571 -0.120 -2.471 37 HG3 GLN 5 HG3 GLN 5 9.121 0.300 -3.182 38 HE21 GLN 5 HE21 GLN 5 6.816 1.478 -0.615 39 HE22 GLN 5 HE22 GLN 5 8.109 1.968 0.466 40 H CYS 6 H CYS 6 8.130 2.238 -6.424 41 HA CYS 6 HA CYS 6 10.816 1.033 -6.778 42 HB2 CYS 6 HB2 CYS 6 8.141 0.761 -8.177 43 HB3 CYS 6 HB3 CYS 6 9.612 0.014 -8.777 44 H CYS 7 H CYS 7 8.944 3.735 -8.204 45 HA CYS 7 HA CYS 7 10.851 3.788 -10.484 46 HB2 CYS 7 HB2 CYS 7 8.491 3.873 -10.978 47 HB3 CYS 7 HB3 CYS 7 8.308 5.330 -10.012 48 H THR 8 H THR 8 9.713 6.018 -7.858 49 HA THR 8 HA THR 8 11.819 7.965 -8.463 50 HB THR 8 HB THR 8 10.998 9.191 -6.541 51 HG1 THR 8 HG1 THR 8 9.481 8.363 -5.217 52 HG21 THR 8 HG21 THR 8 8.629 8.103 -8.125 53 HG22 THR 8 HG22 THR 8 9.726 9.385 -8.686 54 HG23 THR 8 HG23 THR 8 8.721 9.641 -7.247 55 H SER 9 H SER 9 11.807 5.080 -6.657 56 HA SER 9 HA SER 9 14.503 5.603 -5.604 57 HB2 SER 9 HB2 SER 9 12.809 6.240 -3.811 58 HB3 SER 9 HB3 SER 9 12.340 4.523 -3.767 59 HG SER 9 HG SER 9 13.983 5.111 -2.215 60 H ILE 10 H ILE 10 15.303 3.430 -4.556 61 HA ILE 10 HA ILE 10 14.823 1.216 -6.456 62 HB ILE 10 HB ILE 10 16.628 1.459 -4.023 63 HG12 ILE 10 HG12 ILE 10 17.173 1.415 -7.023 64 HG13 ILE 10 HG13 ILE 10 17.305 2.811 -5.955 65 HG21 ILE 10 HG21 ILE 10 17.605 -0.731 -4.776 66 HG22 ILE 10 HG22 ILE 10 15.977 -0.867 -4.160 67 HG23 ILE 10 HG23 ILE 10 16.244 -0.890 -5.914 68 HD11 ILE 10 HD11 ILE 10 19.514 2.026 -6.394 69 HD12 ILE 10 HD12 ILE 10 19.144 1.610 -4.708 70 HD13 ILE 10 HD13 ILE 10 19.096 0.364 -5.984 71 H CYS 11 H CYS 11 13.691 -0.641 -6.080 72 HA CYS 11 HA CYS 11 12.571 -1.129 -3.379 73 HB2 CYS 11 HB2 CYS 11 10.444 -1.689 -4.159 74 HB3 CYS 11 HB3 CYS 11 10.835 -0.135 -4.866 75 H SER 12 H SER 12 11.845 -3.359 -3.113 76 HA SER 12 HA SER 12 13.568 -5.359 -4.498 77 HB2 SER 12 HB2 SER 12 13.325 -4.968 -1.494 78 HB3 SER 12 HB3 SER 12 14.279 -6.218 -2.309 79 HG SER 12 HG SER 12 15.557 -4.411 -1.664 80 H LEU 13 H LEU 13 12.988 -7.602 -3.779 81 HA LEU 13 HA LEU 13 10.443 -8.574 -4.118 82 HB2 LEU 13 HB2 LEU 13 12.504 -9.856 -4.017 83 HB3 LEU 13 HB3 LEU 13 12.753 -9.479 -2.325 84 HG LEU 13 HG LEU 13 12.109 -11.806 -2.825 85 HD11 LEU 13 HD11 LEU 13 10.678 -12.188 -1.002 86 HD12 LEU 13 HD12 LEU 13 9.974 -10.574 -1.070 87 HD13 LEU 13 HD13 LEU 13 11.672 -10.789 -0.580 88 HD21 LEU 13 HD21 LEU 13 10.527 -11.421 -4.642 89 HD22 LEU 13 HD22 LEU 13 9.386 -10.670 -3.505 90 HD23 LEU 13 HD23 LEU 13 9.806 -12.394 -3.352 91 H TYR 14 H TYR 14 11.880 -7.572 -1.016 92 HA TYR 14 HA TYR 14 9.677 -8.308 0.607 93 HB2 TYR 14 HB2 TYR 14 11.857 -6.270 1.193 94 HB3 TYR 14 HB3 TYR 14 10.861 -7.097 2.381 95 HD1 TYR 14 HD2 TYR 14 10.999 -9.691 2.487 96 HD2 TYR 14 HD1 TYR 14 13.922 -7.229 0.475 97 HE1 TYR 14 HE2 TYR 14 12.626 -11.566 2.559 98 HE2 TYR 14 HE1 TYR 14 15.552 -9.119 0.541 99 HH TYR 14 HH TYR 14 14.736 -12.285 2.006 100 H GLN 15 H GLN 15 10.035 -5.544 -1.393 101 HA GLN 15 HA GLN 15 7.741 -4.137 -0.084 102 HB2 GLN 15 HB2 GLN 15 9.669 -3.253 -2.266 103 HB3 GLN 15 HB3 GLN 15 8.261 -2.331 -1.755 104 HG2 GLN 15 HG2 GLN 15 10.601 -3.092 0.059 105 HG3 GLN 15 HG3 GLN 15 10.396 -1.538 -0.724 106 HE21 GLN 15 HE21 GLN 15 10.676 -1.594 2.024 107 HE22 GLN 15 HE22 GLN 15 9.130 -1.194 2.763 108 H LEU 16 H LEU 16 8.805 -5.673 -3.117 109 HA LEU 16 HA LEU 16 6.501 -5.098 -4.666 110 HB2 LEU 16 HB2 LEU 16 8.654 -7.223 -4.757 111 HB3 LEU 16 HB3 LEU 16 7.385 -7.192 -5.967 112 HG LEU 16 HG LEU 16 9.180 -4.800 -5.426 113 HD11 LEU 16 HD11 LEU 16 10.438 -5.465 -7.412 114 HD12 LEU 16 HD12 LEU 16 9.455 -6.936 -7.580 115 HD13 LEU 16 HD13 LEU 16 10.541 -6.731 -6.182 116 HD21 LEU 16 HD21 LEU 16 7.054 -4.303 -6.628 117 HD22 LEU 16 HD22 LEU 16 7.482 -5.528 -7.838 118 HD23 LEU 16 HD23 LEU 16 8.477 -4.073 -7.647 119 H GLU 17 H GLU 17 7.029 -7.865 -2.425 120 HA GLU 17 HA GLU 17 4.614 -9.246 -3.069 121 HB2 GLU 17 HB2 GLU 17 6.251 -9.066 -0.504 122 HB3 GLU 17 HB3 GLU 17 4.830 -10.112 -0.680 123 HG2 GLU 17 HG2 GLU 17 5.889 -11.094 -2.740 124 HG3 GLU 17 HG3 GLU 17 7.378 -10.252 -2.308 125 H ASN 18 H ASN 18 4.925 -6.192 -1.384 126 HA ASN 18 HA ASN 18 2.500 -6.497 0.190 127 HB2 ASN 18 HB2 ASN 18 4.108 -4.009 -0.503 128 HB3 ASN 18 HB3 ASN 18 2.869 -4.111 0.731 129 HD21 ASN 18 HD21 ASN 18 5.688 -3.376 1.117 130 HD22 ASN 18 HD22 ASN 18 6.325 -4.593 2.215 131 H TYR 19 H TYR 19 2.851 -6.050 -3.112 132 HA TYR 19 HA TYR 19 0.245 -4.551 -3.339 133 HB2 TYR 19 HB2 TYR 19 2.440 -4.714 -5.401 134 HB3 TYR 19 HB3 TYR 19 0.999 -3.723 -5.453 135 HD1 TYR 19 HD2 TYR 19 0.798 -1.732 -3.854 136 HD2 TYR 19 HD1 TYR 19 4.408 -4.060 -4.284 137 HE1 TYR 19 HE2 TYR 19 2.093 0.055 -2.684 138 HE2 TYR 19 HE1 TYR 19 5.690 -2.289 -3.117 139 HH TYR 19 HH TYR 19 5.575 -0.303 -1.988 140 H CYS 20 H CYS 20 1.352 -7.652 -3.547 141 HA CYS 20 HA CYS 20 -0.290 -8.540 -5.835 142 HB2 CYS 20 HB2 CYS 20 1.916 -9.490 -5.397 143 HB3 CYS 20 HB3 CYS 20 1.376 -10.016 -3.797 144 H ASN 21 H ASN 21 -2.208 -9.842 -5.594 145 HA ASN 21 HA ASN 21 -3.797 -9.040 -3.310 146 HB2 ASN 21 HB2 ASN 21 -5.642 -9.766 -4.420 147 HB3 ASN 21 HB3 ASN 21 -4.588 -9.406 -5.772 148 HD21 ASN 21 HD21 ASN 21 -3.569 -11.275 -6.863 149 HD22 ASN 21 HD22 ASN 21 -4.456 -12.786 -6.880 150 H1 PHE 1 H1 PHE 1 17.791 -11.112 -5.993 151 H2 PHE 1 H2 PHE 1 17.587 -11.434 -7.585 152 H3 PHE 1 H3 PHE 1 16.768 -12.301 -6.463 153 HA PHE 1 HA PHE 1 15.298 -10.744 -7.508 154 HB2 PHE 1 HB2 PHE 1 15.927 -10.004 -4.623 155 HB3 PHE 1 HB3 PHE 1 14.460 -9.578 -5.471 156 HD1 PHE 1 HD2 PHE 1 13.069 -11.549 -6.548 157 HD2 PHE 1 HD1 PHE 1 15.945 -12.024 -3.352 158 HE1 PHE 1 HE2 PHE 1 11.995 -13.691 -5.894 159 HE2 PHE 1 HE1 PHE 1 14.862 -14.169 -2.717 160 HZ PHE 1 HZ PHE 1 12.898 -15.002 -3.991 161 H VAL 2 H VAL 2 14.590 -8.402 -7.517 162 HA VAL 2 HA VAL 2 16.634 -6.829 -8.795 163 HB VAL 2 HB VAL 2 14.898 -5.087 -8.983 164 HG11 VAL 2 HG11 VAL 2 13.916 -7.869 -9.748 165 HG12 VAL 2 HG12 VAL 2 13.431 -6.333 -10.485 166 HG13 VAL 2 HG13 VAL 2 15.098 -6.900 -10.658 167 HG21 VAL 2 HG21 VAL 2 12.587 -5.545 -8.320 168 HG22 VAL 2 HG22 VAL 2 13.067 -7.041 -7.495 169 HG23 VAL 2 HG23 VAL 2 13.627 -5.459 -6.898 170 H ASN 3 H ASN 3 17.480 -4.814 -8.306 171 HA ASN 3 HA ASN 3 17.241 -3.645 -5.633 172 HB2 ASN 3 HB2 ASN 3 19.673 -3.830 -5.163 173 HB3 ASN 3 HB3 ASN 3 18.860 -5.384 -5.193 174 HD21 ASN 3 HD21 ASN 3 20.782 -3.211 -7.325 175 HD22 ASN 3 HD22 ASN 3 21.629 -4.537 -8.135 176 H GLN 4 H GLN 4 16.377 -2.588 -8.029 177 HA GLN 4 HA GLN 4 18.147 -0.270 -8.552 178 HB2 GLN 4 HB2 GLN 4 17.120 -2.177 -10.708 179 HB3 GLN 4 HB3 GLN 4 17.843 -0.597 -11.018 180 HG2 GLN 4 HG2 GLN 4 19.953 -1.375 -9.885 181 HG3 GLN 4 HG3 GLN 4 19.250 -2.994 -9.793 182 HE21 GLN 4 HE21 GLN 4 18.653 -4.062 -11.929 183 HE22 GLN 4 HE22 GLN 4 19.588 -3.595 -13.339 184 H HIS 5 H HIS 5 16.928 1.264 -10.146 185 HA HIS 5 HA HIS 5 14.177 1.722 -9.226 186 HB2 HIS 5 HB2 HIS 5 15.924 3.073 -11.315 187 HB3 HIS 5 HB3 HIS 5 14.237 3.488 -11.056 188 HD1 HIS 5 HD1 HIS 5 13.987 5.565 -9.583 189 HD2 HIS 5 HD2 HIS 5 17.319 3.177 -8.637 190 HE1 HIS 5 HE1 HIS 5 15.278 6.808 -7.760 191 H LEU 6 H LEU 6 12.369 1.346 -10.295 192 HA LEU 6 HA LEU 6 12.300 0.007 -12.959 193 HB2 LEU 6 HB2 LEU 6 10.936 -0.946 -10.405 194 HB3 LEU 6 HB3 LEU 6 10.666 -1.633 -12.002 195 HG LEU 6 HG LEU 6 13.351 -1.684 -10.572 196 HD11 LEU 6 HD11 LEU 6 12.827 -4.026 -10.078 197 HD12 LEU 6 HD12 LEU 6 11.184 -3.785 -10.718 198 HD13 LEU 6 HD13 LEU 6 11.714 -2.913 -9.263 199 HD21 LEU 6 HD21 LEU 6 13.916 -3.448 -12.147 200 HD22 LEU 6 HD22 LEU 6 13.465 -2.002 -13.054 201 HD23 LEU 6 HD23 LEU 6 12.311 -3.358 -12.896 202 H CYS 7 H CYS 7 11.096 1.358 -14.147 203 HA CYS 7 HA CYS 7 8.688 2.672 -12.949 204 HB2 CYS 7 HB2 CYS 7 10.515 3.585 -15.191 205 HB3 CYS 7 HB3 CYS 7 9.034 4.399 -14.726 206 H GLY 8 H GLY 8 6.763 2.546 -13.991 207 HA2 GLY 8 HA2 GLY 8 5.112 1.867 -15.471 208 HA3 GLY 8 HA3 GLY 8 6.314 2.171 -16.719 209 H SER 9 H SER 9 6.831 0.464 -17.994 210 HA SER 9 HA SER 9 5.670 -2.114 -17.739 211 HB2 SER 9 HB2 SER 9 7.208 -2.712 -19.586 212 HB3 SER 9 HB3 SER 9 6.263 -1.236 -19.877 213 HG SER 9 HG SER 9 8.476 -0.972 -20.443 214 H HIS 10 H HIS 10 8.845 -0.901 -16.671 215 HA HIS 10 HA HIS 10 9.968 -3.516 -16.061 216 HB2 HIS 10 HB2 HIS 10 10.664 -0.698 -15.122 217 HB3 HIS 10 HB3 HIS 10 11.571 -2.135 -14.693 218 HD1 HIS 10 HD1 HIS 10 13.469 -2.798 -16.306 219 HD2 HIS 10 HD2 HIS 10 10.633 -0.155 -17.937 220 HE1 HIS 10 HE1 HIS 10 14.403 -2.057 -18.547 221 H LEU 11 H LEU 11 8.089 -1.118 -14.260 222 HA LEU 11 HA LEU 11 8.350 -2.301 -11.653 223 HB2 LEU 11 HB2 LEU 11 7.814 0.025 -12.058 224 HB3 LEU 11 HB3 LEU 11 6.308 -0.371 -12.852 225 HG LEU 11 HG LEU 11 6.745 -1.238 -9.983 226 HD11 LEU 11 HD11 LEU 11 5.656 1.468 -10.938 227 HD12 LEU 11 HD12 LEU 11 7.267 1.231 -10.227 228 HD13 LEU 11 HD13 LEU 11 5.827 0.913 -9.258 229 HD21 LEU 11 HD21 LEU 11 4.257 -0.841 -9.921 230 HD22 LEU 11 HD22 LEU 11 4.707 -2.125 -11.017 231 HD23 LEU 11 HD23 LEU 11 4.287 -0.520 -11.660 232 H VAL 12 H VAL 12 5.743 -2.512 -14.171 233 HA VAL 12 HA VAL 12 4.205 -4.340 -12.536 234 HB VAL 12 HB VAL 12 2.818 -4.717 -14.504 235 HG11 VAL 12 HG11 VAL 12 1.906 -2.447 -14.602 236 HG12 VAL 12 HG12 VAL 12 2.429 -2.821 -12.949 237 HG13 VAL 12 HG13 VAL 12 3.426 -1.777 -13.983 238 HG21 VAL 12 HG21 VAL 12 4.638 -2.798 -15.977 239 HG22 VAL 12 HG22 VAL 12 4.437 -4.520 -16.346 240 HG23 VAL 12 HG23 VAL 12 3.080 -3.412 -16.544 241 H GLU 13 H GLU 13 6.609 -4.911 -15.086 242 HA GLU 13 HA GLU 13 6.150 -7.743 -15.282 243 HB2 GLU 13 HB2 GLU 13 7.389 -6.432 -16.954 244 HB3 GLU 13 HB3 GLU 13 8.699 -6.148 -15.790 245 HG2 GLU 13 HG2 GLU 13 9.156 -8.580 -15.706 246 HG3 GLU 13 HG3 GLU 13 7.783 -8.892 -16.769 247 H ALA 14 H ALA 14 8.409 -5.842 -13.201 248 HA ALA 14 HA ALA 14 9.496 -8.110 -11.829 249 HB1 ALA 14 HB1 ALA 14 9.192 -5.187 -11.017 250 HB2 ALA 14 HB2 ALA 14 10.228 -6.376 -10.192 251 HB3 ALA 14 HB3 ALA 14 10.569 -5.908 -11.876 252 H LEU 15 H LEU 15 6.734 -5.932 -10.998 253 HA LEU 15 HA LEU 15 6.095 -7.239 -8.538 254 HB2 LEU 15 HB2 LEU 15 5.455 -4.977 -8.936 255 HB3 LEU 15 HB3 LEU 15 4.597 -5.398 -10.427 256 HG LEU 15 HG LEU 15 2.894 -6.558 -9.176 257 HD11 LEU 15 HD11 LEU 15 2.755 -6.488 -6.742 258 HD12 LEU 15 HD12 LEU 15 4.327 -5.637 -6.650 259 HD13 LEU 15 HD13 LEU 15 4.230 -7.319 -7.203 260 HD21 LEU 15 HD21 LEU 15 3.468 -3.773 -8.083 261 HD22 LEU 15 HD22 LEU 15 1.890 -4.585 -8.057 262 HD23 LEU 15 HD23 LEU 15 2.638 -4.145 -9.604 263 H TYR 16 H TYR 16 4.920 -7.862 -11.892 264 HA TYR 16 HA TYR 16 3.083 -9.958 -11.145 265 HB2 TYR 16 HB2 TYR 16 3.052 -8.683 -13.275 266 HB3 TYR 16 HB3 TYR 16 4.572 -9.423 -13.753 267 HD1 TYR 16 HD2 TYR 16 0.942 -9.943 -13.243 268 HD2 TYR 16 HD1 TYR 16 4.653 -11.753 -14.514 269 HE1 TYR 16 HE2 TYR 16 -0.326 -11.797 -14.322 270 HE2 TYR 16 HE1 TYR 16 3.384 -13.613 -15.572 271 HH TYR 16 HH TYR 16 1.310 -14.487 -16.035 272 H LEU 17 H LEU 17 6.569 -10.044 -12.057 273 HA LEU 17 HA LEU 17 6.831 -12.881 -11.926 274 HB2 LEU 17 HB2 LEU 17 8.432 -11.364 -13.021 275 HB3 LEU 17 HB3 LEU 17 8.836 -10.629 -11.478 276 HG LEU 17 HG LEU 17 9.814 -12.767 -10.692 277 HD11 LEU 17 HD11 LEU 17 9.208 -13.747 -13.521 278 HD12 LEU 17 HD12 LEU 17 8.536 -14.403 -12.013 279 HD13 LEU 17 HD13 LEU 17 10.264 -14.569 -12.354 280 HD21 LEU 17 HD21 LEU 17 11.209 -11.069 -11.810 281 HD22 LEU 17 HD22 LEU 17 10.877 -11.820 -13.385 282 HD23 LEU 17 HD23 LEU 17 11.793 -12.708 -12.146 283 H VAL 18 H VAL 18 7.082 -10.382 -9.378 284 HA VAL 18 HA VAL 18 7.838 -12.277 -7.287 285 HB VAL 18 HB VAL 18 6.952 -9.375 -7.279 286 HG11 VAL 18 HG11 VAL 18 7.648 -9.397 -4.832 287 HG12 VAL 18 HG12 VAL 18 6.107 -10.174 -5.184 288 HG13 VAL 18 HG13 VAL 18 7.550 -11.168 -4.901 289 HG21 VAL 18 HG21 VAL 18 9.561 -10.818 -6.627 290 HG22 VAL 18 HG22 VAL 18 9.243 -9.837 -8.063 291 HG23 VAL 18 HG23 VAL 18 9.298 -9.069 -6.472 292 H CYS 19 H CYS 19 4.739 -10.847 -8.349 293 HA CYS 19 HA CYS 19 3.153 -12.113 -6.320 294 HB2 CYS 19 HB2 CYS 19 2.677 -10.032 -7.617 295 HB3 CYS 19 HB3 CYS 19 2.420 -10.997 -9.059 296 H GLY 20 H GLY 20 4.510 -13.226 -9.315 297 HA2 GLY 20 HA2 GLY 20 4.675 -15.245 -10.260 298 HA3 GLY 20 HA3 GLY 20 4.087 -15.964 -8.743 299 H GLU 21 H GLU 21 2.734 -13.910 -11.309 300 HA GLU 21 HA GLU 21 0.904 -13.965 -12.600 301 HB2 GLU 21 HB2 GLU 21 0.800 -16.980 -12.412 302 HB3 GLU 21 HB3 GLU 21 0.250 -15.921 -13.714 303 HG2 GLU 21 HG2 GLU 21 2.749 -15.251 -13.953 304 HG3 GLU 21 HG3 GLU 21 3.099 -16.651 -12.959 305 H ARG 22 H ARG 22 0.549 -14.317 -9.457 306 HA ARG 22 HA ARG 22 -2.174 -15.345 -9.239 307 HB2 ARG 22 HB2 ARG 22 -0.314 -15.296 -7.459 308 HB3 ARG 22 HB3 ARG 22 -0.694 -13.590 -7.261 309 HG2 ARG 22 HG2 ARG 22 -3.166 -14.503 -6.860 310 HG3 ARG 22 HG3 ARG 22 -2.341 -16.031 -6.559 311 HD2 ARG 22 HD2 ARG 22 -1.844 -13.367 -5.165 312 HD3 ARG 22 HD3 ARG 22 -2.734 -14.736 -4.485 313 HE ARG 22 HE ARG 22 -0.234 -15.780 -5.099 314 HH11 ARG 22 HH21 ARG 22 -1.312 -13.120 -3.048 315 HH12 ARG 22 HH22 ARG 22 0.053 -13.313 -1.967 316 HH21 ARG 22 HH11 ARG 22 1.485 -15.907 -3.713 317 HH22 ARG 22 HH12 ARG 22 1.598 -14.837 -2.341 318 H GLY 23 H GLY 23 -0.844 -12.231 -9.924 319 HA2 GLY 23 HA2 GLY 23 -2.024 -10.429 -10.934 320 HA3 GLY 23 HA3 GLY 23 -3.530 -10.961 -10.204 321 H PHE 24 H PHE 24 -1.706 -8.458 -10.225 322 HA PHE 24 HA PHE 24 -1.591 -7.863 -7.317 323 HB2 PHE 24 HB2 PHE 24 0.206 -6.336 -7.888 324 HB3 PHE 24 HB3 PHE 24 0.570 -7.945 -8.476 325 HD1 PHE 24 HD1 PHE 24 -0.372 -4.496 -9.426 326 HD2 PHE 24 HD2 PHE 24 0.677 -8.408 -10.909 327 HE1 PHE 24 HE1 PHE 24 -0.043 -3.543 -11.682 328 HE2 PHE 24 HE2 PHE 24 1.013 -7.440 -13.180 329 HZ PHE 24 HZ PHE 24 0.636 -5.018 -13.572 330 H PHE 25 H PHE 25 -1.821 -5.635 -6.704 331 HA PHE 25 HA PHE 25 -4.155 -4.313 -8.053 332 HB2 PHE 25 HB2 PHE 25 -4.651 -5.557 -5.998 333 HB3 PHE 25 HB3 PHE 25 -3.417 -4.656 -5.121 334 HD1 PHE 25 HD1 PHE 25 -6.579 -4.136 -7.110 335 HD2 PHE 25 HD2 PHE 25 -4.059 -2.759 -3.895 336 HE1 PHE 25 HE1 PHE 25 -8.298 -2.453 -6.485 337 HE2 PHE 25 HE2 PHE 25 -5.777 -1.074 -3.268 338 HZ PHE 25 HZ PHE 25 -7.904 -0.925 -4.566 339 H TYR 26 H TYR 26 -0.929 -3.795 -6.926 340 HA TYR 26 HA TYR 26 0.415 -2.024 -6.633 341 HB2 TYR 26 HB2 TYR 26 0.714 -0.643 -8.493 342 HB3 TYR 26 HB3 TYR 26 0.292 -2.239 -9.026 343 HD1 TYR 26 HD2 TYR 26 -1.893 -2.653 -10.184 344 HD2 TYR 26 HD1 TYR 26 -0.656 1.294 -8.970 345 HE1 TYR 26 HE2 TYR 26 -3.491 -1.652 -11.817 346 HE2 TYR 26 HE1 TYR 26 -2.236 2.293 -10.615 347 HH TYR 26 HH TYR 26 -3.799 1.896 -12.256 348 H THR 27 H THR 27 -2.120 -1.743 -5.140 349 HA THR 27 HA THR 27 -3.477 -0.311 -4.098 350 HB THR 27 HB THR 27 -1.553 -0.377 -2.704 351 HG1 THR 27 HG1 THR 27 -2.225 1.305 -1.397 352 HG21 THR 27 HG21 THR 27 -0.793 2.359 -3.768 353 HG22 THR 27 HG22 THR 27 0.150 0.865 -3.956 354 HG23 THR 27 HG23 THR 27 -0.095 1.557 -2.345 355 H LYS 28 H LYS 28 -3.874 -0.047 -6.518 356 HA LYS 28 HA LYS 28 -3.523 2.331 -7.878 357 HB2 LYS 28 HB2 LYS 28 -5.270 1.560 -9.394 358 HB3 LYS 28 HB3 LYS 28 -4.206 0.273 -8.886 359 HG2 LYS 28 HG2 LYS 28 -6.174 -0.838 -8.790 360 HG3 LYS 28 HG3 LYS 28 -6.028 -0.323 -7.123 361 HD2 LYS 28 HD2 LYS 28 -8.292 0.012 -7.752 362 HD3 LYS 28 HD3 LYS 28 -7.579 1.617 -7.676 363 HE2 LYS 28 HE2 LYS 28 -7.209 1.423 -10.225 364 HE3 LYS 28 HE3 LYS 28 -8.226 -0.019 -10.158 365 HZ1 LYS 28 HZ1 LYS 28 -9.564 1.941 -10.654 366 HZ2 LYS 28 HZ2 LYS 28 -8.986 2.733 -9.345 367 HZ3 LYS 28 HZ3 LYS 28 -9.971 1.449 -9.140 368 HA PRO 29 HA PRO 29 -6.438 5.269 -6.161 369 HB2 PRO 29 HB2 PRO 29 -6.530 7.159 -8.098 370 HB3 PRO 29 HB3 PRO 29 -5.036 6.852 -7.159 371 HG2 PRO 29 HG2 PRO 29 -5.750 5.777 -9.905 372 HG3 PRO 29 HG3 PRO 29 -4.228 6.571 -9.388 373 HD2 PRO 29 HD2 PRO 29 -4.514 3.843 -9.482 374 HD3 PRO 29 HD3 PRO 29 -3.503 4.653 -8.254 375 H THR 30 H THR 30 -8.623 5.903 -6.326 376 HA THR 30 HA THR 30 -10.258 5.089 -8.659 377 HB THR 30 HB THR 30 -11.029 4.297 -5.823 378 HG1 THR 30 HG1 THR 30 -9.499 2.897 -6.483 379 HG21 THR 30 HG21 THR 30 -12.990 4.760 -7.251 380 HG22 THR 30 HG22 THR 30 -12.811 3.020 -6.978 381 HG23 THR 30 HG23 THR 30 -12.319 3.725 -8.534 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 3.362 4.740 -2.565 2 H2 GLY 1 H2 GLY 1 4.023 3.783 -1.408 3 H3 GLY 1 H3 GLY 1 2.447 4.242 -1.298 4 HA2 GLY 1 HA2 GLY 1 2.569 1.953 -2.023 5 HA3 GLY 1 HA3 GLY 1 1.903 3.008 -3.297 6 H ILE 2 H ILE 2 2.572 1.227 -4.722 7 HA ILE 2 HA ILE 2 5.186 0.268 -4.974 8 HB ILE 2 HB ILE 2 3.146 -0.780 -5.890 9 HG12 ILE 2 HG12 ILE 2 4.114 -1.539 -8.059 10 HG13 ILE 2 HG13 ILE 2 5.421 -0.364 -7.866 11 HG21 ILE 2 HG21 ILE 2 2.177 1.284 -6.976 12 HG22 ILE 2 HG22 ILE 2 3.472 1.171 -8.205 13 HG23 ILE 2 HG23 ILE 2 2.275 -0.114 -8.056 14 HD11 ILE 2 HD11 ILE 2 4.823 -2.862 -6.340 15 HD12 ILE 2 HD12 ILE 2 6.229 -2.478 -7.320 16 HD13 ILE 2 HD13 ILE 2 6.021 -1.661 -5.751 17 H VAL 3 H VAL 3 3.799 3.175 -6.532 18 HA VAL 3 HA VAL 3 6.041 3.544 -8.317 19 HB VAL 3 HB VAL 3 3.961 5.576 -7.412 20 HG11 VAL 3 HG11 VAL 3 5.905 6.656 -8.476 21 HG12 VAL 3 HG12 VAL 3 5.798 5.518 -9.844 22 HG13 VAL 3 HG13 VAL 3 4.508 6.705 -9.548 23 HG21 VAL 3 HG21 VAL 3 2.842 3.660 -8.464 24 HG22 VAL 3 HG22 VAL 3 2.854 5.009 -9.595 25 HG23 VAL 3 HG23 VAL 3 4.005 3.678 -9.805 26 H GLU 4 H GLU 4 5.215 4.927 -5.100 27 HA GLU 4 HA GLU 4 7.523 6.643 -4.936 28 HB2 GLU 4 HB2 GLU 4 5.826 5.402 -2.728 29 HB3 GLU 4 HB3 GLU 4 7.029 6.656 -2.510 30 HG2 GLU 4 HG2 GLU 4 4.943 7.747 -2.526 31 HG3 GLU 4 HG3 GLU 4 5.760 8.169 -4.025 32 H GLN 5 H GLN 5 7.010 3.218 -4.156 33 HA GLN 5 HA GLN 5 9.619 3.009 -2.861 34 HB2 GLN 5 HB2 GLN 5 7.488 1.863 -2.117 35 HB3 GLN 5 HB3 GLN 5 7.654 0.795 -3.512 36 HG2 GLN 5 HG2 GLN 5 8.520 -0.240 -1.464 37 HG3 GLN 5 HG3 GLN 5 9.820 -0.023 -2.622 38 HE21 GLN 5 HE21 GLN 5 11.663 1.217 -1.978 39 HE22 GLN 5 HE22 GLN 5 11.717 2.030 -0.426 40 H CYS 6 H CYS 6 8.303 2.054 -6.053 41 HA CYS 6 HA CYS 6 10.909 0.796 -6.741 42 HB2 CYS 6 HB2 CYS 6 8.163 0.703 -8.048 43 HB3 CYS 6 HB3 CYS 6 9.614 0.026 -8.759 44 H CYS 7 H CYS 7 8.879 3.570 -7.905 45 HA CYS 7 HA CYS 7 10.545 3.806 -10.306 46 HB2 CYS 7 HB2 CYS 7 8.102 4.289 -10.232 47 HB3 CYS 7 HB3 CYS 7 8.440 5.708 -9.253 48 H THR 8 H THR 8 10.087 5.765 -7.352 49 HA THR 8 HA THR 8 12.492 7.394 -8.024 50 HB THR 8 HB THR 8 10.222 8.360 -7.674 51 HG1 THR 8 HG1 THR 8 11.079 10.176 -6.655 52 HG21 THR 8 HG21 THR 8 10.825 7.962 -4.718 53 HG22 THR 8 HG22 THR 8 9.546 7.158 -5.656 54 HG23 THR 8 HG23 THR 8 9.488 8.906 -5.410 55 H SER 9 H SER 9 11.953 4.724 -6.300 56 HA SER 9 HA SER 9 14.466 5.014 -4.788 57 HB2 SER 9 HB2 SER 9 12.548 5.590 -3.222 58 HB3 SER 9 HB3 SER 9 12.005 3.910 -3.394 59 HG SER 9 HG SER 9 13.444 4.341 -1.575 60 H ILE 10 H ILE 10 14.841 2.687 -3.690 61 HA ILE 10 HA ILE 10 14.544 0.627 -5.831 62 HB ILE 10 HB ILE 10 16.323 0.734 -3.377 63 HG12 ILE 10 HG12 ILE 10 16.826 0.720 -6.390 64 HG13 ILE 10 HG13 ILE 10 17.083 2.069 -5.283 65 HG21 ILE 10 HG21 ILE 10 15.548 -1.590 -3.595 66 HG22 ILE 10 HG22 ILE 10 15.936 -1.578 -5.328 67 HG23 ILE 10 HG23 ILE 10 17.215 -1.485 -4.092 68 HD11 ILE 10 HD11 ILE 10 19.212 1.140 -5.805 69 HD12 ILE 10 HD12 ILE 10 18.852 0.687 -4.120 70 HD13 ILE 10 HD13 ILE 10 18.689 -0.502 -5.436 71 H CYS 11 H CYS 11 13.436 -1.250 -5.556 72 HA CYS 11 HA CYS 11 11.966 -1.676 -3.006 73 HB2 CYS 11 HB2 CYS 11 10.018 -2.416 -4.244 74 HB3 CYS 11 HB3 CYS 11 10.414 -0.746 -4.590 75 H SER 12 H SER 12 11.416 -3.846 -2.540 76 HA SER 12 HA SER 12 13.209 -5.906 -3.753 77 HB2 SER 12 HB2 SER 12 13.552 -6.790 -1.504 78 HB3 SER 12 HB3 SER 12 13.958 -5.072 -1.498 79 HG SER 12 HG SER 12 12.668 -5.379 0.252 80 H LEU 13 H LEU 13 12.423 -8.165 -3.189 81 HA LEU 13 HA LEU 13 9.782 -8.751 -3.852 82 HB2 LEU 13 HB2 LEU 13 10.237 -10.976 -3.252 83 HB3 LEU 13 HB3 LEU 13 11.714 -10.284 -3.871 84 HG LEU 13 HG LEU 13 12.194 -9.865 -1.227 85 HD11 LEU 13 HD11 LEU 13 11.414 -11.835 0.074 86 HD12 LEU 13 HD12 LEU 13 10.429 -12.367 -1.295 87 HD13 LEU 13 HD13 LEU 13 10.037 -10.866 -0.435 88 HD21 LEU 13 HD21 LEU 13 13.629 -11.131 -2.745 89 HD22 LEU 13 HD22 LEU 13 12.536 -12.534 -2.641 90 HD23 LEU 13 HD23 LEU 13 13.433 -11.985 -1.208 91 H TYR 14 H TYR 14 11.052 -7.820 -0.671 92 HA TYR 14 HA TYR 14 8.701 -8.688 0.818 93 HB2 TYR 14 HB2 TYR 14 10.880 -6.707 1.574 94 HB3 TYR 14 HB3 TYR 14 9.723 -7.442 2.662 95 HD1 TYR 14 HD2 TYR 14 9.757 -9.980 2.995 96 HD2 TYR 14 HD1 TYR 14 12.941 -7.825 1.036 97 HE1 TYR 14 HE2 TYR 14 11.296 -11.903 3.378 98 HE2 TYR 14 HE1 TYR 14 14.473 -9.754 1.409 99 HH TYR 14 HH TYR 14 14.710 -11.855 2.285 100 H GLN 15 H GLN 15 9.596 -5.783 -0.947 101 HA GLN 15 HA GLN 15 7.296 -4.204 0.078 102 HB2 GLN 15 HB2 GLN 15 9.283 -3.660 -2.163 103 HB3 GLN 15 HB3 GLN 15 8.037 -2.555 -1.622 104 HG2 GLN 15 HG2 GLN 15 10.343 -3.585 0.101 105 HG3 GLN 15 HG3 GLN 15 10.308 -2.036 -0.709 106 HE21 GLN 15 HE21 GLN 15 10.723 -2.103 2.054 107 HE22 GLN 15 HE22 GLN 15 9.291 -1.446 2.833 108 H LEU 16 H LEU 16 8.320 -5.899 -2.870 109 HA LEU 16 HA LEU 16 6.088 -5.294 -4.491 110 HB2 LEU 16 HB2 LEU 16 8.193 -7.445 -4.461 111 HB3 LEU 16 HB3 LEU 16 7.009 -7.361 -5.752 112 HG LEU 16 HG LEU 16 8.930 -5.098 -5.055 113 HD11 LEU 16 HD11 LEU 16 10.162 -7.092 -5.871 114 HD12 LEU 16 HD12 LEU 16 10.201 -5.764 -7.040 115 HD13 LEU 16 HD13 LEU 16 9.108 -7.138 -7.314 116 HD21 LEU 16 HD21 LEU 16 6.910 -4.357 -6.252 117 HD22 LEU 16 HD22 LEU 16 7.193 -5.589 -7.503 118 HD23 LEU 16 HD23 LEU 16 8.333 -4.250 -7.296 119 H GLU 17 H GLU 17 6.581 -8.242 -2.398 120 HA GLU 17 HA GLU 17 4.112 -9.443 -3.175 121 HB2 GLU 17 HB2 GLU 17 5.789 -9.769 -0.665 122 HB3 GLU 17 HB3 GLU 17 4.280 -10.642 -0.939 123 HG2 GLU 17 HG2 GLU 17 5.320 -11.339 -3.223 124 HG3 GLU 17 HG3 GLU 17 6.859 -10.897 -2.500 125 H ASN 18 H ASN 18 4.581 -6.706 -1.059 126 HA ASN 18 HA ASN 18 1.959 -6.979 0.233 127 HB2 ASN 18 HB2 ASN 18 4.139 -4.881 0.271 128 HB3 ASN 18 HB3 ASN 18 2.526 -4.499 0.850 129 HD21 ASN 18 HD21 ASN 18 5.456 -6.378 1.602 130 HD22 ASN 18 HD22 ASN 18 4.851 -6.873 3.172 131 H TYR 19 H TYR 19 2.794 -6.159 -2.939 132 HA TYR 19 HA TYR 19 0.219 -4.701 -3.315 133 HB2 TYR 19 HB2 TYR 19 2.545 -4.918 -5.210 134 HB3 TYR 19 HB3 TYR 19 1.123 -3.918 -5.425 135 HD1 TYR 19 HD1 TYR 19 0.671 -2.238 -3.303 136 HD2 TYR 19 HD2 TYR 19 4.454 -3.880 -4.521 137 HE1 TYR 19 HE1 TYR 19 1.866 -0.445 -2.032 138 HE2 TYR 19 HE2 TYR 19 5.655 -2.111 -3.289 139 HH TYR 19 HH TYR 19 5.444 -0.281 -1.868 140 H CYS 20 H CYS 20 1.258 -7.884 -3.423 141 HA CYS 20 HA CYS 20 -0.200 -8.716 -5.798 142 HB2 CYS 20 HB2 CYS 20 0.506 -10.372 -3.374 143 HB3 CYS 20 HB3 CYS 20 0.003 -10.956 -4.960 144 H ASN 21 H ASN 21 -2.338 -9.550 -5.897 145 HA ASN 21 HA ASN 21 -4.168 -8.230 -4.038 146 HB2 ASN 21 HB2 ASN 21 -5.956 -9.098 -5.538 147 HB3 ASN 21 HB3 ASN 21 -4.747 -8.089 -6.322 148 HD21 ASN 21 HD21 ASN 21 -4.403 -11.566 -5.566 149 HD22 ASN 21 HD22 ASN 21 -4.281 -12.046 -7.260 150 H1 PHE 1 H1 PHE 1 18.328 -10.742 -6.481 151 H2 PHE 1 H2 PHE 1 17.962 -11.324 -7.971 152 H3 PHE 1 H3 PHE 1 17.380 -12.069 -6.630 153 HA PHE 1 HA PHE 1 15.650 -10.817 -7.700 154 HB2 PHE 1 HB2 PHE 1 16.442 -9.520 -5.068 155 HB3 PHE 1 HB3 PHE 1 14.824 -9.612 -5.762 156 HD1 PHE 1 HD2 PHE 1 13.863 -12.006 -6.253 157 HD2 PHE 1 HD1 PHE 1 17.105 -11.202 -3.519 158 HE1 PHE 1 HE2 PHE 1 13.491 -14.206 -5.154 159 HE2 PHE 1 HE1 PHE 1 16.736 -13.404 -2.441 160 HZ PHE 1 HZ PHE 1 14.925 -14.906 -3.255 161 H VAL 2 H VAL 2 14.880 -8.182 -7.330 162 HA VAL 2 HA VAL 2 16.268 -7.111 -9.606 163 HB VAL 2 HB VAL 2 14.644 -5.280 -9.550 164 HG11 VAL 2 HG11 VAL 2 13.416 -8.057 -9.231 165 HG12 VAL 2 HG12 VAL 2 12.717 -6.682 -10.099 166 HG13 VAL 2 HG13 VAL 2 14.205 -7.431 -10.698 167 HG21 VAL 2 HG21 VAL 2 13.502 -6.656 -7.066 168 HG22 VAL 2 HG22 VAL 2 14.157 -5.010 -7.166 169 HG23 VAL 2 HG23 VAL 2 12.682 -5.417 -8.027 170 H ASN 3 H ASN 3 16.057 -5.741 -6.280 171 HA ASN 3 HA ASN 3 17.087 -3.964 -5.339 172 HB2 ASN 3 HB2 ASN 3 19.455 -4.367 -4.952 173 HB3 ASN 3 HB3 ASN 3 18.488 -5.821 -4.811 174 HD21 ASN 3 HD21 ASN 3 20.493 -4.076 -7.233 175 HD22 ASN 3 HD22 ASN 3 21.212 -5.551 -7.893 176 H GLN 4 H GLN 4 16.103 -2.938 -7.607 177 HA GLN 4 HA GLN 4 17.979 -0.781 -8.360 178 HB2 GLN 4 HB2 GLN 4 18.186 -2.849 -9.938 179 HB3 GLN 4 HB3 GLN 4 16.536 -2.472 -10.439 180 HG2 GLN 4 HG2 GLN 4 17.573 -0.094 -11.035 181 HG3 GLN 4 HG3 GLN 4 19.112 -0.926 -10.876 182 HE21 GLN 4 HE21 GLN 4 15.999 -0.835 -12.662 183 HE22 GLN 4 HE22 GLN 4 16.616 -1.733 -14.057 184 H HIS 5 H HIS 5 16.813 0.959 -9.594 185 HA HIS 5 HA HIS 5 14.045 1.424 -8.788 186 HB2 HIS 5 HB2 HIS 5 15.921 2.811 -10.743 187 HB3 HIS 5 HB3 HIS 5 14.241 3.267 -10.538 188 HD1 HIS 5 HD1 HIS 5 14.120 5.388 -9.139 189 HD2 HIS 5 HD2 HIS 5 17.115 2.700 -7.905 190 HE1 HIS 5 HE1 HIS 5 15.366 6.519 -7.201 191 H LEU 6 H LEU 6 12.253 1.166 -10.000 192 HA LEU 6 HA LEU 6 12.295 0.006 -12.739 193 HB2 LEU 6 HB2 LEU 6 10.834 -1.181 -10.335 194 HB3 LEU 6 HB3 LEU 6 10.643 -1.717 -12.002 195 HG LEU 6 HG LEU 6 13.268 -1.912 -10.454 196 HD11 LEU 6 HD11 LEU 6 11.614 -3.231 -9.323 197 HD12 LEU 6 HD12 LEU 6 12.643 -4.315 -10.269 198 HD13 LEU 6 HD13 LEU 6 11.028 -3.888 -10.866 199 HD21 LEU 6 HD21 LEU 6 12.349 -3.402 -12.944 200 HD22 LEU 6 HD22 LEU 6 13.938 -3.490 -12.169 201 HD23 LEU 6 HD23 LEU 6 13.442 -1.999 -12.986 202 H CYS 7 H CYS 7 10.842 1.152 -13.935 203 HA CYS 7 HA CYS 7 8.387 2.189 -12.626 204 HB2 CYS 7 HB2 CYS 7 10.366 3.857 -12.686 205 HB3 CYS 7 HB3 CYS 7 10.009 4.004 -14.402 206 H GLY 8 H GLY 8 6.652 2.686 -14.055 207 HA2 GLY 8 HA2 GLY 8 5.230 2.200 -15.822 208 HA3 GLY 8 HA3 GLY 8 6.641 2.340 -16.871 209 H SER 9 H SER 9 6.908 0.570 -18.109 210 HA SER 9 HA SER 9 5.620 -1.932 -17.732 211 HB2 SER 9 HB2 SER 9 7.145 -2.707 -19.539 212 HB3 SER 9 HB3 SER 9 6.253 -1.221 -19.914 213 HG SER 9 HG SER 9 8.489 -1.068 -20.474 214 H HIS 10 H HIS 10 8.821 -0.838 -16.645 215 HA HIS 10 HA HIS 10 9.869 -3.474 -16.028 216 HB2 HIS 10 HB2 HIS 10 10.610 -0.678 -15.049 217 HB3 HIS 10 HB3 HIS 10 11.488 -2.132 -14.626 218 HD1 HIS 10 HD1 HIS 10 13.271 -2.995 -16.318 219 HD2 HIS 10 HD2 HIS 10 10.745 0.048 -17.761 220 HE1 HIS 10 HE1 HIS 10 14.283 -2.224 -18.514 221 H LEU 11 H LEU 11 8.044 -1.038 -14.230 222 HA LEU 11 HA LEU 11 8.251 -2.211 -11.622 223 HB2 LEU 11 HB2 LEU 11 7.795 0.083 -11.982 224 HB3 LEU 11 HB3 LEU 11 6.352 -0.209 -12.918 225 HG LEU 11 HG LEU 11 6.484 -1.065 -10.016 226 HD11 LEU 11 HD11 LEU 11 7.164 1.327 -10.135 227 HD12 LEU 11 HD12 LEU 11 5.522 1.208 -9.488 228 HD13 LEU 11 HD13 LEU 11 5.768 1.692 -11.176 229 HD21 LEU 11 HD21 LEU 11 4.228 -0.243 -11.907 230 HD22 LEU 11 HD22 LEU 11 4.022 -0.481 -10.164 231 HD23 LEU 11 HD23 LEU 11 4.483 -1.843 -11.162 232 H VAL 12 H VAL 12 5.680 -2.439 -14.165 233 HA VAL 12 HA VAL 12 4.117 -4.265 -12.534 234 HB VAL 12 HB VAL 12 2.729 -4.614 -14.515 235 HG11 VAL 12 HG11 VAL 12 1.784 -2.361 -14.542 236 HG12 VAL 12 HG12 VAL 12 2.316 -2.777 -12.903 237 HG13 VAL 12 HG13 VAL 12 3.295 -1.680 -13.899 238 HG21 VAL 12 HG21 VAL 12 2.983 -3.205 -16.507 239 HG22 VAL 12 HG22 VAL 12 4.534 -2.606 -15.907 240 HG23 VAL 12 HG23 VAL 12 4.347 -4.320 -16.351 241 H GLU 13 H GLU 13 6.500 -4.811 -15.148 242 HA GLU 13 HA GLU 13 5.974 -7.627 -15.381 243 HB2 GLU 13 HB2 GLU 13 7.194 -6.287 -17.046 244 HB3 GLU 13 HB3 GLU 13 8.543 -6.085 -15.912 245 HG2 GLU 13 HG2 GLU 13 8.935 -8.516 -15.911 246 HG3 GLU 13 HG3 GLU 13 7.515 -8.777 -16.919 247 H ALA 14 H ALA 14 8.292 -5.820 -13.304 248 HA ALA 14 HA ALA 14 9.390 -8.142 -12.014 249 HB1 ALA 14 HB1 ALA 14 10.508 -5.956 -12.088 250 HB2 ALA 14 HB2 ALA 14 9.173 -5.237 -11.145 251 HB3 ALA 14 HB3 ALA 14 10.233 -6.465 -10.403 252 H LEU 15 H LEU 15 6.681 -5.933 -11.089 253 HA LEU 15 HA LEU 15 6.092 -7.230 -8.615 254 HB2 LEU 15 HB2 LEU 15 5.431 -4.968 -9.108 255 HB3 LEU 15 HB3 LEU 15 4.520 -5.480 -10.536 256 HG LEU 15 HG LEU 15 2.873 -6.569 -9.178 257 HD11 LEU 15 HD11 LEU 15 4.409 -5.603 -6.731 258 HD12 LEU 15 HD12 LEU 15 4.286 -7.292 -7.251 259 HD13 LEU 15 HD13 LEU 15 2.835 -6.451 -6.753 260 HD21 LEU 15 HD21 LEU 15 3.503 -3.769 -8.164 261 HD22 LEU 15 HD22 LEU 15 1.926 -4.558 -8.052 262 HD23 LEU 15 HD23 LEU 15 2.605 -4.162 -9.645 263 H TYR 16 H TYR 16 4.883 -7.850 -11.948 264 HA TYR 16 HA TYR 16 3.084 -9.983 -11.170 265 HB2 TYR 16 HB2 TYR 16 3.027 -8.630 -13.302 266 HB3 TYR 16 HB3 TYR 16 4.444 -9.498 -13.853 267 HD1 TYR 16 HD2 TYR 16 0.850 -9.761 -12.936 268 HD2 TYR 16 HD1 TYR 16 4.220 -11.800 -14.689 269 HE1 TYR 16 HE2 TYR 16 -0.665 -11.560 -13.748 270 HE2 TYR 16 HE1 TYR 16 2.705 -13.588 -15.529 271 HH TYR 16 HH TYR 16 0.536 -14.360 -15.641 272 H LEU 17 H LEU 17 6.530 -9.973 -12.168 273 HA LEU 17 HA LEU 17 6.909 -12.801 -12.138 274 HB2 LEU 17 HB2 LEU 17 8.378 -11.159 -13.179 275 HB3 LEU 17 HB3 LEU 17 8.847 -10.515 -11.615 276 HG LEU 17 HG LEU 17 10.462 -11.990 -12.812 277 HD11 LEU 17 HD11 LEU 17 9.827 -13.058 -10.048 278 HD12 LEU 17 HD12 LEU 17 10.646 -11.515 -10.372 279 HD13 LEU 17 HD13 LEU 17 11.378 -13.037 -10.885 280 HD21 LEU 17 HD21 LEU 17 10.299 -14.385 -12.729 281 HD22 LEU 17 HD22 LEU 17 8.902 -13.732 -13.594 282 HD23 LEU 17 HD23 LEU 17 8.723 -14.308 -11.916 283 H VAL 18 H VAL 18 7.138 -10.377 -9.493 284 HA VAL 18 HA VAL 18 7.967 -12.406 -7.541 285 HB VAL 18 HB VAL 18 7.241 -9.473 -7.261 286 HG11 VAL 18 HG11 VAL 18 8.065 -9.702 -4.904 287 HG12 VAL 18 HG12 VAL 18 6.525 -10.501 -5.177 288 HG13 VAL 18 HG13 VAL 18 8.023 -11.463 -5.081 289 HG21 VAL 18 HG21 VAL 18 9.819 -11.102 -6.930 290 HG22 VAL 18 HG22 VAL 18 9.443 -9.995 -8.264 291 HG23 VAL 18 HG23 VAL 18 9.668 -9.366 -6.627 292 H CYS 19 H CYS 19 4.841 -10.829 -8.364 293 HA CYS 19 HA CYS 19 3.379 -12.366 -6.403 294 HB2 CYS 19 HB2 CYS 19 2.472 -10.955 -8.927 295 HB3 CYS 19 HB3 CYS 19 1.388 -11.699 -7.744 296 H GLY 20 H GLY 20 4.779 -13.261 -9.478 297 HA2 GLY 20 HA2 GLY 20 4.861 -15.247 -10.561 298 HA3 GLY 20 HA3 GLY 20 4.572 -15.995 -8.975 299 H GLU 21 H GLU 21 2.631 -14.101 -11.290 300 HA GLU 21 HA GLU 21 0.613 -14.304 -12.212 301 HB2 GLU 21 HB2 GLU 21 0.746 -17.310 -11.936 302 HB3 GLU 21 HB3 GLU 21 -0.199 -16.346 -13.073 303 HG2 GLU 21 HG2 GLU 21 1.989 -15.480 -14.030 304 HG3 GLU 21 HG3 GLU 21 2.828 -16.678 -13.048 305 H ARG 22 H ARG 22 0.866 -14.603 -8.998 306 HA ARG 22 HA ARG 22 -1.873 -15.320 -8.283 307 HB2 ARG 22 HB2 ARG 22 0.185 -13.543 -6.898 308 HB3 ARG 22 HB3 ARG 22 -1.405 -13.884 -6.237 309 HG2 ARG 22 HG2 ARG 22 -0.976 -16.237 -6.057 310 HG3 ARG 22 HG3 ARG 22 0.571 -16.110 -6.882 311 HD2 ARG 22 HD2 ARG 22 -0.028 -14.648 -4.274 312 HD3 ARG 22 HD3 ARG 22 0.614 -16.299 -4.331 313 HE ARG 22 HE ARG 22 2.290 -14.805 -5.976 314 HH11 ARG 22 HH21 ARG 22 1.568 -14.737 -2.507 315 HH12 ARG 22 HH22 ARG 22 3.205 -14.160 -2.158 316 HH21 ARG 22 HH12 ARG 22 4.385 -14.062 -5.269 317 HH22 ARG 22 HH11 ARG 22 4.572 -13.827 -3.540 318 H GLY 23 H GLY 23 -0.498 -12.490 -9.713 319 HA2 GLY 23 HA2 GLY 23 -1.616 -10.668 -10.709 320 HA3 GLY 23 HA3 GLY 23 -3.103 -11.088 -9.868 321 H PHE 24 H PHE 24 -2.098 -8.490 -10.058 322 HA PHE 24 HA PHE 24 -1.413 -7.788 -7.255 323 HB2 PHE 24 HB2 PHE 24 0.364 -6.352 -7.949 324 HB3 PHE 24 HB3 PHE 24 0.674 -7.949 -8.587 325 HD1 PHE 24 HD1 PHE 24 -0.303 -4.470 -9.446 326 HD2 PHE 24 HD2 PHE 24 0.742 -8.356 -10.995 327 HE1 PHE 24 HE1 PHE 24 -0.060 -3.498 -11.721 328 HE2 PHE 24 HE2 PHE 24 0.982 -7.371 -13.270 329 HZ PHE 24 HZ PHE 24 0.566 -4.954 -13.632 330 H PHE 25 H PHE 25 -1.618 -5.544 -6.723 331 HA PHE 25 HA PHE 25 -3.178 -3.824 -8.523 332 HB2 PHE 25 HB2 PHE 25 -4.932 -4.790 -7.166 333 HB3 PHE 25 HB3 PHE 25 -4.011 -4.525 -5.686 334 HD1 PHE 25 HD2 PHE 25 -4.921 -2.287 -8.627 335 HD2 PHE 25 HD1 PHE 25 -5.071 -2.920 -4.357 336 HE1 PHE 25 HE2 PHE 25 -5.946 -0.054 -8.330 337 HE2 PHE 25 HE1 PHE 25 -6.145 -0.701 -4.071 338 HZ PHE 25 HZ PHE 25 -6.561 0.748 -6.051 339 H TYR 26 H TYR 26 -2.357 -1.859 -8.580 340 HA TYR 26 HA TYR 26 0.086 -1.280 -7.137 341 HB2 TYR 26 HB2 TYR 26 0.109 0.670 -8.780 342 HB3 TYR 26 HB3 TYR 26 0.114 -0.950 -9.446 343 HD1 TYR 26 HD1 TYR 26 -2.068 1.998 -8.787 344 HD2 TYR 26 HD2 TYR 26 -1.628 -1.752 -10.872 345 HE1 TYR 26 HE1 TYR 26 -4.132 2.491 -10.107 346 HE2 TYR 26 HE2 TYR 26 -3.684 -1.251 -12.196 347 HH TYR 26 HH TYR 26 -5.392 0.226 -12.581 348 H THR 27 H THR 27 -2.654 -1.016 -5.782 349 HA THR 27 HA THR 27 -3.683 0.084 -4.181 350 HB THR 27 HB THR 27 -1.492 -0.498 -3.202 351 HG1 THR 27 HG1 THR 27 -2.998 1.625 -2.105 352 HG21 THR 27 HG21 THR 27 -0.141 1.380 -2.268 353 HG22 THR 27 HG22 THR 27 -0.944 2.493 -3.399 354 HG23 THR 27 HG23 THR 27 0.054 1.149 -4.003 355 H LYS 28 H LYS 28 -2.408 2.267 -6.463 356 HA LYS 28 HA LYS 28 -3.639 4.655 -5.311 357 HB2 LYS 28 HB2 LYS 28 -2.578 4.108 -8.111 358 HB3 LYS 28 HB3 LYS 28 -3.169 5.669 -7.543 359 HG2 LYS 28 HG2 LYS 28 -1.448 5.711 -5.771 360 HG3 LYS 28 HG3 LYS 28 -0.810 4.154 -6.337 361 HD2 LYS 28 HD2 LYS 28 -0.326 5.153 -8.553 362 HD3 LYS 28 HD3 LYS 28 -0.921 6.723 -7.999 363 HE2 LYS 28 HE2 LYS 28 1.407 5.190 -6.735 364 HE3 LYS 28 HE3 LYS 28 1.596 6.432 -7.976 365 HZ1 LYS 28 HZ1 LYS 28 0.421 6.893 -5.287 366 HZ2 LYS 28 HZ2 LYS 28 0.576 8.030 -6.459 367 HZ3 LYS 28 HZ3 LYS 28 1.903 7.368 -5.771 368 HA PRO 29 HA PRO 29 -7.781 3.952 -6.705 369 HB2 PRO 29 HB2 PRO 29 -8.840 6.469 -6.781 370 HB3 PRO 29 HB3 PRO 29 -8.366 5.660 -5.253 371 HG2 PRO 29 HG2 PRO 29 -6.736 7.641 -6.879 372 HG3 PRO 29 HG3 PRO 29 -7.087 7.673 -5.118 373 HD2 PRO 29 HD2 PRO 29 -4.769 6.651 -6.104 374 HD3 PRO 29 HD3 PRO 29 -5.583 5.906 -4.691 375 H THR 30 H THR 30 -9.271 4.236 -8.434 376 HA THR 30 HA THR 30 -8.150 4.281 -11.060 377 HB THR 30 HB THR 30 -11.083 4.469 -10.297 378 HG1 THR 30 HG1 THR 30 -11.002 2.216 -10.291 379 HG21 THR 30 HG21 THR 30 -9.673 3.274 -12.730 380 HG22 THR 30 HG22 THR 30 -10.664 4.740 -12.724 381 HG23 THR 30 HG23 THR 30 -11.417 3.175 -12.394 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 2.077 3.510 -0.788 2 H2 GLY 1 H2 GLY 1 3.230 4.280 -1.649 3 H3 GLY 1 H3 GLY 1 3.574 2.849 -0.914 4 HA2 GLY 1 HA2 GLY 1 1.897 1.739 -2.335 5 HA3 GLY 1 HA3 GLY 1 1.769 3.275 -3.208 6 H ILE 2 H ILE 2 2.407 1.092 -4.640 7 HA ILE 2 HA ILE 2 5.094 0.229 -4.729 8 HB ILE 2 HB ILE 2 3.214 -0.981 -5.691 9 HG12 ILE 2 HG12 ILE 2 4.256 -1.651 -7.847 10 HG13 ILE 2 HG13 ILE 2 5.434 -0.349 -7.673 11 HG21 ILE 2 HG21 ILE 2 2.052 0.974 -6.772 12 HG22 ILE 2 HG22 ILE 2 3.336 0.978 -8.011 13 HG23 ILE 2 HG23 ILE 2 2.275 -0.421 -7.838 14 HD11 ILE 2 HD11 ILE 2 6.468 -2.353 -7.115 15 HD12 ILE 2 HD12 ILE 2 6.192 -1.563 -5.556 16 HD13 ILE 2 HD13 ILE 2 5.125 -2.893 -6.131 17 H VAL 3 H VAL 3 3.602 2.944 -6.506 18 HA VAL 3 HA VAL 3 5.859 3.491 -8.178 19 HB VAL 3 HB VAL 3 3.716 5.449 -7.243 20 HG11 VAL 3 HG11 VAL 3 5.429 5.408 -9.770 21 HG12 VAL 3 HG12 VAL 3 4.158 6.580 -9.386 22 HG13 VAL 3 HG13 VAL 3 5.623 6.536 -8.408 23 HG21 VAL 3 HG21 VAL 3 2.534 4.824 -9.351 24 HG22 VAL 3 HG22 VAL 3 3.719 3.531 -9.621 25 HG23 VAL 3 HG23 VAL 3 2.614 3.473 -8.228 26 H GLU 4 H GLU 4 4.987 4.629 -4.947 27 HA GLU 4 HA GLU 4 7.098 6.602 -4.681 28 HB2 GLU 4 HB2 GLU 4 5.432 5.211 -2.552 29 HB3 GLU 4 HB3 GLU 4 6.350 6.699 -2.344 30 HG2 GLU 4 HG2 GLU 4 4.865 7.891 -3.884 31 HG3 GLU 4 HG3 GLU 4 3.964 6.410 -4.223 32 H GLN 5 H GLN 5 7.189 3.204 -4.576 33 HA GLN 5 HA GLN 5 9.686 3.201 -2.936 34 HB2 GLN 5 HB2 GLN 5 7.733 1.914 -2.043 35 HB3 GLN 5 HB3 GLN 5 7.779 0.904 -3.491 36 HG2 GLN 5 HG2 GLN 5 8.879 -0.192 -1.598 37 HG3 GLN 5 HG3 GLN 5 10.038 0.105 -2.887 38 HE21 GLN 5 HE21 GLN 5 11.913 1.417 -2.390 39 HE22 GLN 5 HE22 GLN 5 12.115 2.128 -0.801 40 H CYS 6 H CYS 6 8.247 2.008 -5.989 41 HA CYS 6 HA CYS 6 10.886 0.955 -6.841 42 HB2 CYS 6 HB2 CYS 6 8.039 0.631 -7.862 43 HB3 CYS 6 HB3 CYS 6 9.451 0.057 -8.732 44 H CYS 7 H CYS 7 8.560 3.534 -7.890 45 HA CYS 7 HA CYS 7 10.185 3.973 -10.314 46 HB2 CYS 7 HB2 CYS 7 7.683 4.155 -10.285 47 HB3 CYS 7 HB3 CYS 7 7.856 5.597 -9.276 48 H THR 8 H THR 8 9.389 5.816 -7.328 49 HA THR 8 HA THR 8 11.342 7.913 -7.941 50 HB THR 8 HB THR 8 10.521 8.923 -5.843 51 HG1 THR 8 HG1 THR 8 9.128 7.896 -4.586 52 HG21 THR 8 HG21 THR 8 9.224 9.278 -7.959 53 HG22 THR 8 HG22 THR 8 8.213 9.333 -6.502 54 HG23 THR 8 HG23 THR 8 8.197 7.889 -7.532 55 H SER 9 H SER 9 11.617 4.910 -6.394 56 HA SER 9 HA SER 9 14.259 5.579 -5.254 57 HB2 SER 9 HB2 SER 9 12.469 5.923 -3.461 58 HB3 SER 9 HB3 SER 9 12.183 4.178 -3.536 59 HG SER 9 HG SER 9 13.765 4.888 -1.928 60 H ILE 10 H ILE 10 15.103 3.385 -4.195 61 HA ILE 10 HA ILE 10 15.002 1.297 -6.288 62 HB ILE 10 HB ILE 10 16.672 1.730 -3.794 63 HG12 ILE 10 HG12 ILE 10 17.266 1.387 -6.766 64 HG13 ILE 10 HG13 ILE 10 17.318 2.887 -5.847 65 HG21 ILE 10 HG21 ILE 10 16.534 -0.848 -5.401 66 HG22 ILE 10 HG22 ILE 10 17.821 -0.454 -4.240 67 HG23 ILE 10 HG23 ILE 10 16.175 -0.647 -3.675 68 HD11 ILE 10 HD11 ILE 10 19.254 0.558 -5.643 69 HD12 ILE 10 HD12 ILE 10 19.561 2.207 -6.192 70 HD13 ILE 10 HD13 ILE 10 19.207 1.912 -4.480 71 H CYS 11 H CYS 11 14.058 -0.695 -6.126 72 HA CYS 11 HA CYS 11 12.918 -1.512 -3.532 73 HB2 CYS 11 HB2 CYS 11 10.788 -2.041 -4.360 74 HB3 CYS 11 HB3 CYS 11 11.127 -0.396 -4.872 75 H SER 12 H SER 12 12.171 -3.806 -3.620 76 HA SER 12 HA SER 12 13.687 -5.614 -5.380 77 HB2 SER 12 HB2 SER 12 15.202 -5.018 -3.451 78 HB3 SER 12 HB3 SER 12 13.977 -5.628 -2.338 79 HG SER 12 HG SER 12 15.713 -7.126 -2.939 80 H LEU 13 H LEU 13 13.200 -7.927 -4.514 81 HA LEU 13 HA LEU 13 10.569 -8.839 -4.617 82 HB2 LEU 13 HB2 LEU 13 12.508 -10.273 -4.773 83 HB3 LEU 13 HB3 LEU 13 13.086 -9.786 -3.179 84 HG LEU 13 HG LEU 13 11.175 -10.996 -2.120 85 HD11 LEU 13 HD11 LEU 13 9.605 -10.927 -4.045 86 HD12 LEU 13 HD12 LEU 13 9.853 -12.570 -3.444 87 HD13 LEU 13 HD13 LEU 13 10.657 -12.043 -4.940 88 HD21 LEU 13 HD21 LEU 13 13.362 -12.074 -2.394 89 HD22 LEU 13 HD22 LEU 13 12.887 -12.655 -4.011 90 HD23 LEU 13 HD23 LEU 13 12.052 -13.247 -2.560 91 H TYR 14 H TYR 14 12.416 -7.818 -1.738 92 HA TYR 14 HA TYR 14 10.408 -8.606 0.158 93 HB2 TYR 14 HB2 TYR 14 12.692 -6.646 0.564 94 HB3 TYR 14 HB3 TYR 14 11.871 -7.583 1.801 95 HD1 TYR 14 HD2 TYR 14 11.884 -10.246 1.401 96 HD2 TYR 14 HD1 TYR 14 14.724 -7.473 -0.303 97 HE1 TYR 14 HE2 TYR 14 13.481 -12.120 1.013 98 HE2 TYR 14 HE1 TYR 14 16.312 -9.351 -0.691 99 HH TYR 14 HH TYR 14 16.701 -11.610 -0.483 100 H GLN 15 H GLN 15 10.521 -5.857 -1.844 101 HA GLN 15 HA GLN 15 8.442 -4.425 -0.219 102 HB2 GLN 15 HB2 GLN 15 10.120 -3.479 -2.572 103 HB3 GLN 15 HB3 GLN 15 8.835 -2.548 -1.808 104 HG2 GLN 15 HG2 GLN 15 11.392 -3.508 -0.420 105 HG3 GLN 15 HG3 GLN 15 11.135 -1.897 -1.063 106 HE21 GLN 15 HE21 GLN 15 11.846 -2.135 1.589 107 HE22 GLN 15 HE22 GLN 15 10.457 -1.733 2.588 108 H LEU 16 H LEU 16 9.162 -5.836 -3.424 109 HA LEU 16 HA LEU 16 6.728 -5.202 -4.705 110 HB2 LEU 16 HB2 LEU 16 8.799 -7.381 -5.033 111 HB3 LEU 16 HB3 LEU 16 7.435 -7.257 -6.131 112 HG LEU 16 HG LEU 16 9.361 -4.942 -5.659 113 HD11 LEU 16 HD11 LEU 16 10.605 -6.895 -6.551 114 HD12 LEU 16 HD12 LEU 16 10.466 -5.594 -7.752 115 HD13 LEU 16 HD13 LEU 16 9.434 -7.039 -7.875 116 HD21 LEU 16 HD21 LEU 16 7.536 -5.581 -8.010 117 HD22 LEU 16 HD22 LEU 16 8.504 -4.117 -7.774 118 HD23 LEU 16 HD23 LEU 16 7.126 -4.453 -6.711 119 H GLU 17 H GLU 17 7.467 -8.087 -2.648 120 HA GLU 17 HA GLU 17 5.032 -9.448 -3.063 121 HB2 GLU 17 HB2 GLU 17 6.879 -9.255 -0.644 122 HB3 GLU 17 HB3 GLU 17 5.458 -10.313 -0.681 123 HG2 GLU 17 HG2 GLU 17 6.337 -11.342 -2.782 124 HG3 GLU 17 HG3 GLU 17 7.817 -10.431 -2.582 125 H ASN 18 H ASN 18 5.461 -6.426 -1.328 126 HA ASN 18 HA ASN 18 3.131 -6.716 0.380 127 HB2 ASN 18 HB2 ASN 18 4.692 -4.226 -0.444 128 HB3 ASN 18 HB3 ASN 18 3.517 -4.317 0.855 129 HD21 ASN 18 HD21 ASN 18 6.385 -3.597 1.036 130 HD22 ASN 18 HD22 ASN 18 7.059 -4.757 2.162 131 H TYR 19 H TYR 19 3.329 -6.254 -2.953 132 HA TYR 19 HA TYR 19 0.672 -4.870 -3.067 133 HB2 TYR 19 HB2 TYR 19 2.825 -4.836 -5.179 134 HB3 TYR 19 HB3 TYR 19 1.386 -3.843 -5.128 135 HD1 TYR 19 HD2 TYR 19 1.140 -2.222 -3.035 136 HD2 TYR 19 HD1 TYR 19 4.815 -4.041 -4.354 137 HE1 TYR 19 HE2 TYR 19 2.439 -0.512 -1.773 138 HE2 TYR 19 HE1 TYR 19 6.122 -2.307 -3.169 139 HH TYR 19 HH TYR 19 6.021 -0.452 -1.769 140 H CYS 20 H CYS 20 1.753 -7.915 -3.269 141 HA CYS 20 HA CYS 20 0.388 -8.801 -5.697 142 HB2 CYS 20 HB2 CYS 20 2.382 -9.906 -4.838 143 HB3 CYS 20 HB3 CYS 20 1.535 -10.337 -3.353 144 H ASN 21 H ASN 21 -1.242 -10.654 -5.375 145 HA ASN 21 HA ASN 21 -3.696 -9.539 -4.744 146 HB2 ASN 21 HB2 ASN 21 -3.033 -11.547 -6.264 147 HB3 ASN 21 HB3 ASN 21 -3.179 -12.538 -4.822 148 HD21 ASN 21 HD21 ASN 21 -4.900 -10.309 -6.964 149 HD22 ASN 21 HD22 ASN 21 -6.522 -10.928 -6.597 150 H1 PHE 1 H1 PHE 1 17.645 -10.899 -4.892 151 H2 PHE 1 H2 PHE 1 18.381 -11.455 -6.238 152 H3 PHE 1 H3 PHE 1 17.056 -12.226 -5.661 153 HA PHE 1 HA PHE 1 16.499 -10.933 -7.597 154 HB2 PHE 1 HB2 PHE 1 14.894 -11.237 -5.598 155 HB3 PHE 1 HB3 PHE 1 15.271 -9.579 -5.162 156 HD1 PHE 1 HD2 PHE 1 13.713 -11.796 -7.717 157 HD2 PHE 1 HD1 PHE 1 14.331 -7.730 -6.450 158 HE1 PHE 1 HE2 PHE 1 11.966 -11.037 -9.311 159 HE2 PHE 1 HE1 PHE 1 12.604 -6.965 -8.061 160 HZ PHE 1 HZ PHE 1 11.400 -8.622 -9.477 161 H VAL 2 H VAL 2 16.108 -8.667 -8.446 162 HA VAL 2 HA VAL 2 18.558 -7.137 -8.270 163 HB VAL 2 HB VAL 2 17.476 -5.563 -9.821 164 HG11 VAL 2 HG11 VAL 2 17.129 -8.473 -10.642 165 HG12 VAL 2 HG12 VAL 2 17.321 -7.078 -11.718 166 HG13 VAL 2 HG13 VAL 2 18.653 -7.567 -10.658 167 HG21 VAL 2 HG21 VAL 2 15.112 -5.753 -9.046 168 HG22 VAL 2 HG22 VAL 2 15.304 -5.980 -10.793 169 HG23 VAL 2 HG23 VAL 2 15.040 -7.384 -9.747 170 H ASN 3 H ASN 3 18.829 -4.935 -7.718 171 HA ASN 3 HA ASN 3 16.807 -3.686 -5.951 172 HB2 ASN 3 HB2 ASN 3 18.500 -2.955 -4.366 173 HB3 ASN 3 HB3 ASN 3 18.326 -4.703 -4.400 174 HD21 ASN 3 HD21 ASN 3 20.044 -5.968 -5.578 175 HD22 ASN 3 HD22 ASN 3 21.668 -5.290 -5.550 176 H GLN 4 H GLN 4 16.136 -2.356 -7.499 177 HA GLN 4 HA GLN 4 17.907 -0.245 -8.565 178 HB2 GLN 4 HB2 GLN 4 17.975 -2.468 -10.000 179 HB3 GLN 4 HB3 GLN 4 16.325 -2.056 -10.430 180 HG2 GLN 4 HG2 GLN 4 17.370 0.231 -11.246 181 HG3 GLN 4 HG3 GLN 4 18.916 -0.591 -11.074 182 HE21 GLN 4 HE21 GLN 4 15.742 -0.645 -12.759 183 HE22 GLN 4 HE22 GLN 4 16.331 -1.588 -14.126 184 H HIS 5 H HIS 5 16.586 1.330 -9.907 185 HA HIS 5 HA HIS 5 13.836 1.732 -8.919 186 HB2 HIS 5 HB2 HIS 5 15.509 3.132 -11.036 187 HB3 HIS 5 HB3 HIS 5 13.810 3.487 -10.753 188 HD1 HIS 5 HD1 HIS 5 13.547 5.617 -9.362 189 HD2 HIS 5 HD2 HIS 5 16.887 3.280 -8.329 190 HE1 HIS 5 HE1 HIS 5 14.804 6.921 -7.557 191 H LEU 6 H LEU 6 12.040 1.240 -10.014 192 HA LEU 6 HA LEU 6 12.065 -0.017 -12.715 193 HB2 LEU 6 HB2 LEU 6 10.736 -1.214 -10.243 194 HB3 LEU 6 HB3 LEU 6 10.557 -1.819 -11.886 195 HG LEU 6 HG LEU 6 13.185 -1.780 -10.354 196 HD11 LEU 6 HD11 LEU 6 12.856 -4.199 -10.093 197 HD12 LEU 6 HD12 LEU 6 11.239 -4.041 -10.819 198 HD13 LEU 6 HD13 LEU 6 11.593 -3.266 -9.271 199 HD21 LEU 6 HD21 LEU 6 13.426 -1.859 -12.869 200 HD22 LEU 6 HD22 LEU 6 12.412 -3.324 -12.869 201 HD23 LEU 6 HD23 LEU 6 13.992 -3.326 -12.058 202 H CYS 7 H CYS 7 10.670 1.225 -13.877 203 HA CYS 7 HA CYS 7 8.128 2.106 -12.605 204 HB2 CYS 7 HB2 CYS 7 10.000 3.861 -12.579 205 HB3 CYS 7 HB3 CYS 7 9.747 3.989 -14.317 206 H GLY 8 H GLY 8 6.403 2.534 -14.060 207 HA2 GLY 8 HA2 GLY 8 5.044 1.993 -15.863 208 HA3 GLY 8 HA3 GLY 8 6.463 2.197 -16.882 209 H SER 9 H SER 9 6.749 0.425 -18.143 210 HA SER 9 HA SER 9 5.617 -2.118 -17.758 211 HB2 SER 9 HB2 SER 9 8.127 -1.456 -19.323 212 HB3 SER 9 HB3 SER 9 7.054 -2.856 -19.544 213 HG SER 9 HG SER 9 6.593 -1.174 -21.050 214 H HIS 10 H HIS 10 8.731 -0.880 -16.568 215 HA HIS 10 HA HIS 10 9.876 -3.468 -15.948 216 HB2 HIS 10 HB2 HIS 10 10.511 -0.661 -14.963 217 HB3 HIS 10 HB3 HIS 10 11.436 -2.086 -14.539 218 HD1 HIS 10 HD1 HIS 10 13.221 -2.934 -16.247 219 HD2 HIS 10 HD2 HIS 10 10.655 0.093 -17.658 220 HE1 HIS 10 HE1 HIS 10 14.228 -2.122 -18.427 221 H LEU 11 H LEU 11 7.941 -1.096 -14.171 222 HA LEU 11 HA LEU 11 8.165 -2.243 -11.550 223 HB2 LEU 11 HB2 LEU 11 7.577 0.039 -11.990 224 HB3 LEU 11 HB3 LEU 11 6.125 -0.387 -12.863 225 HG LEU 11 HG LEU 11 6.439 -1.130 -9.940 226 HD11 LEU 11 HD11 LEU 11 6.912 1.291 -10.130 227 HD12 LEU 11 HD12 LEU 11 5.301 1.052 -9.431 228 HD13 LEU 11 HD13 LEU 11 5.466 1.507 -11.136 229 HD21 LEU 11 HD21 LEU 11 4.460 -2.114 -11.008 230 HD22 LEU 11 HD22 LEU 11 4.044 -0.554 -11.755 231 HD23 LEU 11 HD23 LEU 11 3.929 -0.777 -10.002 232 H VAL 12 H VAL 12 5.640 -2.536 -14.131 233 HA VAL 12 HA VAL 12 4.085 -4.387 -12.535 234 HB VAL 12 HB VAL 12 2.720 -4.738 -14.519 235 HG11 VAL 12 HG11 VAL 12 3.292 -1.788 -13.977 236 HG12 VAL 12 HG12 VAL 12 1.769 -2.489 -14.575 237 HG13 VAL 12 HG13 VAL 12 2.321 -2.840 -12.935 238 HG21 VAL 12 HG21 VAL 12 4.367 -4.475 -16.345 239 HG22 VAL 12 HG22 VAL 12 2.998 -3.376 -16.536 240 HG23 VAL 12 HG23 VAL 12 4.540 -2.760 -15.930 241 H GLU 13 H GLU 13 6.492 -4.913 -15.131 242 HA GLU 13 HA GLU 13 5.995 -7.733 -15.351 243 HB2 GLU 13 HB2 GLU 13 7.226 -6.381 -17.020 244 HB3 GLU 13 HB3 GLU 13 8.564 -6.182 -15.872 245 HG2 GLU 13 HG2 GLU 13 8.959 -8.613 -15.878 246 HG3 GLU 13 HG3 GLU 13 7.547 -8.866 -16.906 247 H ALA 14 H ALA 14 8.313 -5.905 -13.294 248 HA ALA 14 HA ALA 14 9.421 -8.203 -11.984 249 HB1 ALA 14 HB1 ALA 14 9.161 -5.298 -11.104 250 HB2 ALA 14 HB2 ALA 14 10.242 -6.506 -10.378 251 HB3 ALA 14 HB3 ALA 14 10.493 -5.995 -12.059 252 H LEU 15 H LEU 15 6.669 -6.039 -11.070 253 HA LEU 15 HA LEU 15 6.129 -7.380 -8.598 254 HB2 LEU 15 HB2 LEU 15 5.505 -5.084 -9.006 255 HB3 LEU 15 HB3 LEU 15 4.529 -5.544 -10.410 256 HG LEU 15 HG LEU 15 2.914 -6.624 -9.034 257 HD11 LEU 15 HD11 LEU 15 4.338 -7.503 -7.182 258 HD12 LEU 15 HD12 LEU 15 2.963 -6.595 -6.583 259 HD13 LEU 15 HD13 LEU 15 4.580 -5.848 -6.604 260 HD21 LEU 15 HD21 LEU 15 3.690 -3.921 -7.853 261 HD22 LEU 15 HD22 LEU 15 2.078 -4.642 -7.786 262 HD23 LEU 15 HD23 LEU 15 2.761 -4.161 -9.349 263 H TYR 16 H TYR 16 4.839 -7.918 -11.914 264 HA TYR 16 HA TYR 16 2.995 -10.010 -11.169 265 HB2 TYR 16 HB2 TYR 16 2.971 -8.698 -13.289 266 HB3 TYR 16 HB3 TYR 16 4.452 -9.504 -13.792 267 HD1 TYR 16 HD1 TYR 16 0.838 -9.944 -13.079 268 HD2 TYR 16 HD2 TYR 16 4.406 -11.778 -14.658 269 HE1 TYR 16 HE1 TYR 16 -0.545 -11.768 -14.090 270 HE2 TYR 16 HE2 TYR 16 3.034 -13.598 -15.656 271 HH TYR 16 HH TYR 16 0.916 -14.455 -15.951 272 H LEU 17 H LEU 17 6.445 -10.106 -12.173 273 HA LEU 17 HA LEU 17 6.745 -12.938 -12.091 274 HB2 LEU 17 HB2 LEU 17 8.302 -11.381 -13.186 275 HB3 LEU 17 HB3 LEU 17 8.729 -10.673 -11.633 276 HG LEU 17 HG LEU 17 9.739 -12.819 -10.909 277 HD11 LEU 17 HD11 LEU 17 10.181 -14.564 -12.624 278 HD12 LEU 17 HD12 LEU 17 9.109 -13.717 -13.763 279 HD13 LEU 17 HD13 LEU 17 8.463 -14.426 -12.258 280 HD21 LEU 17 HD21 LEU 17 10.769 -11.782 -13.580 281 HD22 LEU 17 HD22 LEU 17 11.705 -12.690 -12.368 282 HD23 LEU 17 HD23 LEU 17 11.098 -11.068 -11.985 283 H VAL 18 H VAL 18 7.053 -10.482 -9.515 284 HA VAL 18 HA VAL 18 7.874 -12.390 -7.471 285 HB VAL 18 HB VAL 18 7.010 -9.495 -7.438 286 HG11 VAL 18 HG11 VAL 18 6.153 -10.269 -5.337 287 HG12 VAL 18 HG12 VAL 18 7.585 -11.284 -5.059 288 HG13 VAL 18 HG13 VAL 18 7.716 -9.515 -4.997 289 HG21 VAL 18 HG21 VAL 18 9.359 -9.194 -6.683 290 HG22 VAL 18 HG22 VAL 18 9.600 -10.950 -6.746 291 HG23 VAL 18 HG23 VAL 18 9.298 -10.040 -8.230 292 H CYS 19 H CYS 19 4.731 -10.921 -8.377 293 HA CYS 19 HA CYS 19 3.295 -12.255 -6.296 294 HB2 CYS 19 HB2 CYS 19 2.644 -10.157 -7.556 295 HB3 CYS 19 HB3 CYS 19 2.234 -11.162 -8.930 296 H GLY 20 H GLY 20 4.348 -13.286 -9.452 297 HA2 GLY 20 HA2 GLY 20 4.484 -15.331 -10.395 298 HA3 GLY 20 HA3 GLY 20 3.972 -16.059 -8.854 299 H GLU 21 H GLU 21 2.481 -13.988 -11.350 300 HA GLU 21 HA GLU 21 0.525 -14.058 -12.480 301 HB2 GLU 21 HB2 GLU 21 0.573 -17.081 -12.401 302 HB3 GLU 21 HB3 GLU 21 -0.069 -15.998 -13.634 303 HG2 GLU 21 HG2 GLU 21 2.410 -15.203 -13.911 304 HG3 GLU 21 HG3 GLU 21 2.829 -16.660 -13.018 305 H ARG 22 H ARG 22 0.269 -13.945 -9.548 306 HA ARG 22 HA ARG 22 -2.507 -15.053 -9.186 307 HB2 ARG 22 HB2 ARG 22 -0.610 -13.896 -7.124 308 HB3 ARG 22 HB3 ARG 22 -2.191 -14.584 -6.798 309 HG2 ARG 22 HG2 ARG 22 0.227 -16.114 -7.842 310 HG3 ARG 22 HG3 ARG 22 -0.359 -16.090 -6.194 311 HD2 ARG 22 HD2 ARG 22 -1.076 -18.133 -7.108 312 HD3 ARG 22 HD3 ARG 22 -2.524 -17.119 -6.989 313 HE ARG 22 HE ARG 22 -1.430 -16.747 -9.575 314 HH11 ARG 22 HH11 ARG 22 -2.895 -19.457 -7.895 315 HH12 ARG 22 HH12 ARG 22 -3.538 -20.114 -9.377 316 HH21 ARG 22 HH21 ARG 22 -2.344 -17.515 -11.323 317 HH22 ARG 22 HH22 ARG 22 -3.210 -19.040 -11.311 318 H GLY 23 H GLY 23 -1.076 -12.076 -9.969 319 HA2 GLY 23 HA2 GLY 23 -2.330 -10.325 -10.896 320 HA3 GLY 23 HA3 GLY 23 -3.783 -10.907 -10.114 321 H PHE 24 H PHE 24 -1.000 -8.958 -9.865 322 HA PHE 24 HA PHE 24 -1.164 -8.051 -7.147 323 HB2 PHE 24 HB2 PHE 24 0.625 -6.563 -7.881 324 HB3 PHE 24 HB3 PHE 24 0.898 -8.175 -8.502 325 HD1 PHE 24 HD1 PHE 24 0.572 -8.651 -10.971 326 HD2 PHE 24 HD2 PHE 24 0.167 -4.678 -9.353 327 HE1 PHE 24 HE1 PHE 24 0.726 -7.683 -13.258 328 HE2 PHE 24 HE2 PHE 24 0.341 -3.724 -11.635 329 HZ PHE 24 HZ PHE 24 0.606 -5.237 -13.589 330 H PHE 25 H PHE 25 -1.179 -5.716 -6.632 331 HA PHE 25 HA PHE 25 -3.251 -4.116 -8.070 332 HB2 PHE 25 HB2 PHE 25 -3.864 -4.797 -5.704 333 HB3 PHE 25 HB3 PHE 25 -2.421 -3.931 -5.155 334 HD1 PHE 25 HD1 PHE 25 -5.578 -3.419 -7.149 335 HD2 PHE 25 HD2 PHE 25 -2.582 -1.650 -4.593 336 HE1 PHE 25 HE1 PHE 25 -6.860 -1.295 -7.107 337 HE2 PHE 25 HE2 PHE 25 -3.886 0.466 -4.539 338 HZ PHE 25 HZ PHE 25 -6.013 0.654 -5.807 339 H TYR 26 H TYR 26 -2.766 -1.863 -8.283 340 HA TYR 26 HA TYR 26 -0.106 -0.957 -7.406 341 HB2 TYR 26 HB2 TYR 26 0.498 0.068 -9.478 342 HB3 TYR 26 HB3 TYR 26 0.343 -1.664 -9.649 343 HD1 TYR 26 HD2 TYR 26 -1.681 -2.623 -10.880 344 HD2 TYR 26 HD1 TYR 26 -0.802 1.608 -10.780 345 HE1 TYR 26 HE2 TYR 26 -3.160 -2.264 -12.849 346 HE2 TYR 26 HE1 TYR 26 -2.287 1.958 -12.752 347 HH TYR 26 HH TYR 26 -4.036 -0.749 -14.330 348 H THR 27 H THR 27 -0.039 0.931 -6.608 349 HA THR 27 HA THR 27 -2.437 2.504 -6.186 350 HB THR 27 HB THR 27 -0.908 3.920 -4.807 351 HG1 THR 27 HG1 THR 27 1.024 3.656 -5.893 352 HG21 THR 27 HG21 THR 27 -1.978 1.849 -3.875 353 HG22 THR 27 HG22 THR 27 -0.419 2.223 -3.129 354 HG23 THR 27 HG23 THR 27 -0.531 0.923 -4.340 355 H LYS 28 H LYS 28 -2.682 4.764 -6.601 356 HA LYS 28 HA LYS 28 -2.231 5.480 -9.310 357 HB2 LYS 28 HB2 LYS 28 -4.150 6.191 -7.860 358 HB3 LYS 28 HB3 LYS 28 -3.052 7.238 -6.972 359 HG2 LYS 28 HG2 LYS 28 -4.224 8.628 -8.485 360 HG3 LYS 28 HG3 LYS 28 -2.592 8.477 -9.135 361 HD2 LYS 28 HD2 LYS 28 -3.442 6.758 -10.769 362 HD3 LYS 28 HD3 LYS 28 -5.067 6.954 -10.085 363 HE2 LYS 28 HE2 LYS 28 -5.030 9.364 -10.683 364 HE3 LYS 28 HE3 LYS 28 -3.410 9.180 -11.361 365 HZ1 LYS 28 HZ1 LYS 28 -5.114 9.073 -13.086 366 HZ2 LYS 28 HZ2 LYS 28 -5.858 7.813 -12.364 367 HZ3 LYS 28 HZ3 LYS 28 -4.363 7.626 -13.002 368 HA PRO 29 HA PRO 29 1.897 7.194 -8.924 369 HB2 PRO 29 HB2 PRO 29 1.228 8.629 -11.485 370 HB3 PRO 29 HB3 PRO 29 2.671 7.649 -11.085 371 HG2 PRO 29 HG2 PRO 29 0.717 6.614 -12.640 372 HG3 PRO 29 HG3 PRO 29 1.443 5.609 -11.346 373 HD2 PRO 29 HD2 PRO 29 -1.148 7.178 -11.268 374 HD3 PRO 29 HD3 PRO 29 -0.826 5.486 -10.783 375 H THR 30 H THR 30 -0.872 9.305 -9.431 376 HA THR 30 HA THR 30 0.616 11.775 -8.770 377 HB THR 30 HB THR 30 -1.527 12.902 -9.391 378 HG1 THR 30 HG1 THR 30 -2.835 11.051 -9.038 379 HG21 THR 30 HG21 THR 30 -1.272 12.531 -11.811 380 HG22 THR 30 HG22 THR 30 -0.318 11.067 -11.513 381 HG23 THR 30 HG23 THR 30 0.314 12.653 -11.022 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 3.598 4.202 -1.567 2 H2 GLY 1 H2 GLY 1 3.488 2.709 -0.902 3 H3 GLY 1 H3 GLY 1 2.184 3.694 -0.921 4 HA2 GLY 1 HA2 GLY 1 1.869 2.018 -2.585 5 HA3 GLY 1 HA3 GLY 1 2.081 3.611 -3.343 6 H ILE 2 H ILE 2 2.486 1.365 -4.841 7 HA ILE 2 HA ILE 2 5.098 0.287 -4.885 8 HB ILE 2 HB ILE 2 3.169 -0.738 -5.946 9 HG12 ILE 2 HG12 ILE 2 4.225 -1.363 -8.121 10 HG13 ILE 2 HG13 ILE 2 5.490 -0.173 -7.830 11 HG21 ILE 2 HG21 ILE 2 2.319 -0.005 -8.078 12 HG22 ILE 2 HG22 ILE 2 2.197 1.371 -6.972 13 HG23 ILE 2 HG23 ILE 2 3.509 1.295 -8.178 14 HD11 ILE 2 HD11 ILE 2 6.359 -2.263 -7.339 15 HD12 ILE 2 HD12 ILE 2 6.030 -1.549 -5.742 16 HD13 ILE 2 HD13 ILE 2 4.921 -2.762 -6.454 17 H VAL 3 H VAL 3 3.889 3.179 -6.648 18 HA VAL 3 HA VAL 3 6.301 3.550 -8.163 19 HB VAL 3 HB VAL 3 4.200 5.627 -7.413 20 HG11 VAL 3 HG11 VAL 3 6.078 5.520 -9.802 21 HG12 VAL 3 HG12 VAL 3 4.854 6.759 -9.474 22 HG13 VAL 3 HG13 VAL 3 6.255 6.621 -8.413 23 HG21 VAL 3 HG21 VAL 3 3.079 3.738 -8.506 24 HG22 VAL 3 HG22 VAL 3 3.183 5.082 -9.627 25 HG23 VAL 3 HG23 VAL 3 4.308 3.719 -9.794 26 H GLU 4 H GLU 4 5.200 4.781 -5.090 27 HA GLU 4 HA GLU 4 7.278 6.629 -4.429 28 HB2 GLU 4 HB2 GLU 4 5.010 6.619 -3.539 29 HB3 GLU 4 HB3 GLU 4 5.259 5.031 -2.828 30 HG2 GLU 4 HG2 GLU 4 6.868 5.976 -1.215 31 HG3 GLU 4 HG3 GLU 4 6.689 7.569 -1.975 32 H GLN 5 H GLN 5 7.351 3.165 -4.482 33 HA GLN 5 HA GLN 5 9.833 3.144 -2.778 34 HB2 GLN 5 HB2 GLN 5 7.706 1.001 -3.164 35 HB3 GLN 5 HB3 GLN 5 9.223 0.765 -2.287 36 HG2 GLN 5 HG2 GLN 5 7.083 2.808 -1.503 37 HG3 GLN 5 HG3 GLN 5 7.248 1.201 -0.814 38 HE21 GLN 5 HE21 GLN 5 8.976 4.367 -1.116 39 HE22 GLN 5 HE22 GLN 5 9.906 4.101 0.358 40 H CYS 6 H CYS 6 8.370 1.801 -5.755 41 HA CYS 6 HA CYS 6 10.942 0.496 -6.415 42 HB2 CYS 6 HB2 CYS 6 8.110 0.241 -7.501 43 HB3 CYS 6 HB3 CYS 6 9.503 -0.603 -8.161 44 H CYS 7 H CYS 7 8.976 3.203 -7.654 45 HA CYS 7 HA CYS 7 10.684 3.312 -10.099 46 HB2 CYS 7 HB2 CYS 7 8.342 3.426 -10.468 47 HB3 CYS 7 HB3 CYS 7 8.175 4.775 -9.344 48 H THR 8 H THR 8 9.677 5.530 -7.422 49 HA THR 8 HA THR 8 11.772 7.445 -8.125 50 HB THR 8 HB THR 8 9.484 7.969 -7.202 51 HG1 THR 8 HG1 THR 8 11.778 9.087 -5.980 52 HG21 THR 8 HG21 THR 8 9.146 8.095 -4.836 53 HG22 THR 8 HG22 THR 8 10.775 7.479 -4.486 54 HG23 THR 8 HG23 THR 8 9.572 6.420 -5.241 55 H SER 9 H SER 9 11.858 4.599 -6.343 56 HA SER 9 HA SER 9 14.570 5.137 -5.330 57 HB2 SER 9 HB2 SER 9 12.901 5.712 -3.483 58 HB3 SER 9 HB3 SER 9 12.476 3.993 -3.454 59 HG SER 9 HG SER 9 14.163 4.626 -1.950 60 H ILE 10 H ILE 10 15.108 2.832 -4.072 61 HA ILE 10 HA ILE 10 14.575 0.665 -6.073 62 HB ILE 10 HB ILE 10 16.822 0.926 -4.043 63 HG12 ILE 10 HG12 ILE 10 16.753 1.106 -7.086 64 HG13 ILE 10 HG13 ILE 10 17.100 2.414 -5.957 65 HG21 ILE 10 HG21 ILE 10 16.200 -1.301 -6.024 66 HG22 ILE 10 HG22 ILE 10 17.705 -1.160 -5.073 67 HG23 ILE 10 HG23 ILE 10 16.190 -1.433 -4.253 68 HD11 ILE 10 HD11 ILE 10 19.169 1.178 -5.228 69 HD12 ILE 10 HD12 ILE 10 18.884 0.030 -6.561 70 HD13 ILE 10 HD13 ILE 10 19.167 1.737 -6.914 71 H CYS 11 H CYS 11 13.670 -1.245 -5.476 72 HA CYS 11 HA CYS 11 12.756 -1.616 -2.666 73 HB2 CYS 11 HB2 CYS 11 10.563 -2.190 -3.406 74 HB3 CYS 11 HB3 CYS 11 10.971 -0.627 -4.085 75 H SER 12 H SER 12 11.744 -3.922 -2.527 76 HA SER 12 HA SER 12 13.441 -5.962 -3.896 77 HB2 SER 12 HB2 SER 12 12.859 -5.759 -0.898 78 HB3 SER 12 HB3 SER 12 13.676 -7.123 -1.687 79 HG SER 12 HG SER 12 15.093 -5.528 -0.715 80 H LEU 13 H LEU 13 12.541 -8.188 -3.666 81 HA LEU 13 HA LEU 13 9.845 -8.480 -4.168 82 HB2 LEU 13 HB2 LEU 13 10.095 -10.781 -4.074 83 HB3 LEU 13 HB3 LEU 13 11.507 -10.060 -4.807 84 HG LEU 13 HG LEU 13 12.151 -11.972 -3.635 85 HD11 LEU 13 HD11 LEU 13 13.745 -10.112 -3.528 86 HD12 LEU 13 HD12 LEU 13 13.872 -11.195 -2.136 87 HD13 LEU 13 HD13 LEU 13 13.067 -9.633 -1.945 88 HD21 LEU 13 HD21 LEU 13 11.858 -12.489 -1.360 89 HD22 LEU 13 HD22 LEU 13 10.264 -12.112 -2.020 90 HD23 LEU 13 HD23 LEU 13 11.117 -10.938 -0.989 91 H TYR 14 H TYR 14 11.356 -8.358 -1.013 92 HA TYR 14 HA TYR 14 9.105 -9.220 0.521 93 HB2 TYR 14 HB2 TYR 14 11.448 -7.430 1.286 94 HB3 TYR 14 HB3 TYR 14 10.342 -8.208 2.410 95 HD1 TYR 14 HD2 TYR 14 10.219 -10.760 2.499 96 HD2 TYR 14 HD1 TYR 14 13.340 -8.642 0.398 97 HE1 TYR 14 HE2 TYR 14 11.648 -12.810 2.534 98 HE2 TYR 14 HE1 TYR 14 14.753 -10.683 0.439 99 HH TYR 14 HH TYR 14 14.924 -12.882 1.072 100 H GLN 15 H GLN 15 9.698 -6.198 -1.092 101 HA GLN 15 HA GLN 15 7.441 -4.874 0.358 102 HB2 GLN 15 HB2 GLN 15 9.454 -3.780 -1.646 103 HB3 GLN 15 HB3 GLN 15 8.094 -2.874 -1.006 104 HG2 GLN 15 HG2 GLN 15 10.382 -4.022 0.656 105 HG3 GLN 15 HG3 GLN 15 10.221 -2.349 0.142 106 HE21 GLN 15 HE21 GLN 15 10.519 -2.802 2.843 107 HE22 GLN 15 HE22 GLN 15 8.985 -2.474 3.639 108 H LEU 16 H LEU 16 8.478 -5.998 -2.867 109 HA LEU 16 HA LEU 16 6.183 -5.206 -4.321 110 HB2 LEU 16 HB2 LEU 16 8.207 -7.402 -4.617 111 HB3 LEU 16 HB3 LEU 16 6.982 -7.191 -5.831 112 HG LEU 16 HG LEU 16 8.940 -4.989 -5.040 113 HD11 LEU 16 HD11 LEU 16 9.078 -6.885 -7.416 114 HD12 LEU 16 HD12 LEU 16 10.174 -6.895 -6.011 115 HD13 LEU 16 HD13 LEU 16 10.158 -5.507 -7.099 116 HD21 LEU 16 HD21 LEU 16 7.092 -5.368 -7.438 117 HD22 LEU 16 HD22 LEU 16 8.253 -4.044 -7.240 118 HD23 LEU 16 HD23 LEU 16 6.892 -4.198 -6.121 119 H GLU 17 H GLU 17 6.641 -8.276 -2.427 120 HA GLU 17 HA GLU 17 4.140 -9.406 -3.174 121 HB2 GLU 17 HB2 GLU 17 5.861 -9.753 -0.689 122 HB3 GLU 17 HB3 GLU 17 4.304 -10.561 -0.882 123 HG2 GLU 17 HG2 GLU 17 5.242 -11.317 -3.212 124 HG3 GLU 17 HG3 GLU 17 6.815 -10.984 -2.490 125 H ASN 18 H ASN 18 4.627 -6.626 -1.110 126 HA ASN 18 HA ASN 18 2.122 -6.939 0.352 127 HB2 ASN 18 HB2 ASN 18 3.904 -4.504 -0.014 128 HB3 ASN 18 HB3 ASN 18 2.586 -4.639 1.127 129 HD21 ASN 18 HD21 ASN 18 5.489 -4.163 1.660 130 HD22 ASN 18 HD22 ASN 18 5.945 -5.486 2.719 131 H TYR 19 H TYR 19 2.788 -6.111 -2.860 132 HA TYR 19 HA TYR 19 0.282 -4.518 -3.177 133 HB2 TYR 19 HB2 TYR 19 2.657 -4.803 -5.015 134 HB3 TYR 19 HB3 TYR 19 1.318 -3.701 -5.235 135 HD1 TYR 19 HD1 TYR 19 0.983 -2.349 -2.642 136 HD2 TYR 19 HD2 TYR 19 4.587 -3.666 -4.596 137 HE1 TYR 19 HE1 TYR 19 2.287 -0.685 -1.354 138 HE2 TYR 19 HE2 TYR 19 5.895 -1.961 -3.360 139 HH TYR 19 HH TYR 19 4.378 0.154 -0.879 140 H CYS 20 H CYS 20 1.163 -7.722 -3.480 141 HA CYS 20 HA CYS 20 -0.057 -8.391 -5.995 142 HB2 CYS 20 HB2 CYS 20 0.401 -10.133 -3.568 143 HB3 CYS 20 HB3 CYS 20 -0.025 -10.690 -5.181 144 H ASN 21 H ASN 21 -2.014 -9.658 -6.289 145 HA ASN 21 HA ASN 21 -4.318 -8.279 -5.217 146 HB2 ASN 21 HB2 ASN 21 -4.097 -9.051 -7.586 147 HB3 ASN 21 HB3 ASN 21 -4.105 -10.727 -7.022 148 HD21 ASN 21 HD21 ASN 21 -6.068 -7.760 -7.251 149 HD22 ASN 21 HD22 ASN 21 -7.608 -8.598 -7.183 150 H1 PHE 1 H1 PHE 1 14.967 -13.004 -8.555 151 H2 PHE 1 H2 PHE 1 16.327 -12.572 -7.739 152 H3 PHE 1 H3 PHE 1 16.267 -12.406 -9.366 153 HA PHE 1 HA PHE 1 14.569 -10.735 -9.214 154 HB2 PHE 1 HB2 PHE 1 14.946 -10.938 -6.203 155 HB3 PHE 1 HB3 PHE 1 13.890 -9.827 -7.060 156 HD1 PHE 1 HD1 PHE 1 12.068 -10.924 -8.655 157 HD2 PHE 1 HD2 PHE 1 14.022 -12.970 -5.385 158 HE1 PHE 1 HE1 PHE 1 10.235 -12.607 -8.599 159 HE2 PHE 1 HE2 PHE 1 12.186 -14.636 -5.338 160 HZ PHE 1 HZ PHE 1 10.296 -14.462 -6.942 161 H VAL 2 H VAL 2 15.042 -8.395 -8.616 162 HA VAL 2 HA VAL 2 17.980 -7.888 -8.350 163 HB VAL 2 HB VAL 2 17.860 -6.216 -10.131 164 HG11 VAL 2 HG11 VAL 2 18.622 -8.527 -10.625 165 HG12 VAL 2 HG12 VAL 2 16.970 -8.943 -11.134 166 HG13 VAL 2 HG13 VAL 2 17.898 -7.718 -12.023 167 HG21 VAL 2 HG21 VAL 2 15.994 -6.145 -11.723 168 HG22 VAL 2 HG22 VAL 2 15.079 -7.313 -10.760 169 HG23 VAL 2 HG23 VAL 2 15.424 -5.696 -10.117 170 H ASN 3 H ASN 3 18.572 -5.709 -7.840 171 HA ASN 3 HA ASN 3 16.485 -4.082 -6.441 172 HB2 ASN 3 HB2 ASN 3 19.333 -4.721 -5.561 173 HB3 ASN 3 HB3 ASN 3 18.370 -3.417 -4.881 174 HD21 ASN 3 HD21 ASN 3 15.933 -4.294 -4.289 175 HD22 ASN 3 HD22 ASN 3 16.077 -5.603 -3.154 176 H GLN 4 H GLN 4 16.143 -2.856 -8.249 177 HA GLN 4 HA GLN 4 18.119 -0.767 -8.899 178 HB2 GLN 4 HB2 GLN 4 16.744 -2.523 -10.990 179 HB3 GLN 4 HB3 GLN 4 17.640 -1.042 -11.335 180 HG2 GLN 4 HG2 GLN 4 19.699 -2.125 -10.339 181 HG3 GLN 4 HG3 GLN 4 18.788 -3.640 -10.248 182 HE21 GLN 4 HE21 GLN 4 17.856 -4.467 -12.393 183 HE22 GLN 4 HE22 GLN 4 18.814 -4.133 -13.830 184 H HIS 5 H HIS 5 16.903 0.913 -10.404 185 HA HIS 5 HA HIS 5 14.248 1.502 -9.271 186 HB2 HIS 5 HB2 HIS 5 15.954 2.850 -11.381 187 HB3 HIS 5 HB3 HIS 5 14.277 3.295 -11.092 188 HD1 HIS 5 HD1 HIS 5 13.949 5.151 -9.342 189 HD2 HIS 5 HD2 HIS 5 17.458 2.892 -8.831 190 HE1 HIS 5 HE1 HIS 5 15.274 6.288 -7.462 191 H LEU 6 H LEU 6 12.375 1.089 -10.110 192 HA LEU 6 HA LEU 6 12.047 -0.286 -12.753 193 HB2 LEU 6 HB2 LEU 6 10.860 -1.035 -10.045 194 HB3 LEU 6 HB3 LEU 6 10.443 -1.795 -11.579 195 HG LEU 6 HG LEU 6 13.226 -1.870 -10.366 196 HD11 LEU 6 HD11 LEU 6 12.638 -4.197 -9.701 197 HD12 LEU 6 HD12 LEU 6 10.959 -3.860 -10.184 198 HD13 LEU 6 HD13 LEU 6 11.699 -2.962 -8.847 199 HD21 LEU 6 HD21 LEU 6 11.947 -3.552 -12.555 200 HD22 LEU 6 HD22 LEU 6 13.569 -3.785 -11.885 201 HD23 LEU 6 HD23 LEU 6 13.215 -2.315 -12.791 202 H CYS 7 H CYS 7 11.048 1.344 -13.832 203 HA CYS 7 HA CYS 7 8.576 2.570 -12.672 204 HB2 CYS 7 HB2 CYS 7 10.553 3.658 -14.692 205 HB3 CYS 7 HB3 CYS 7 9.023 4.420 -14.302 206 H GLY 8 H GLY 8 6.770 2.767 -13.984 207 HA2 GLY 8 HA2 GLY 8 5.223 2.176 -15.604 208 HA3 GLY 8 HA3 GLY 8 6.564 2.399 -16.730 209 H SER 9 H SER 9 7.041 0.648 -17.979 210 HA SER 9 HA SER 9 5.725 -1.873 -17.756 211 HB2 SER 9 HB2 SER 9 7.338 -2.569 -19.503 212 HB3 SER 9 HB3 SER 9 6.469 -1.068 -19.873 213 HG SER 9 HG SER 9 8.726 -0.918 -20.322 214 H HIS 10 H HIS 10 8.929 -0.807 -16.585 215 HA HIS 10 HA HIS 10 9.867 -3.474 -15.889 216 HB2 HIS 10 HB2 HIS 10 10.735 -0.680 -15.044 217 HB3 HIS 10 HB3 HIS 10 11.495 -2.146 -14.466 218 HD1 HIS 10 HD1 HIS 10 13.397 -3.113 -15.920 219 HD2 HIS 10 HD2 HIS 10 10.903 -0.355 -17.891 220 HE1 HIS 10 HE1 HIS 10 14.493 -2.653 -18.163 221 H LEU 11 H LEU 11 8.092 -0.928 -14.194 222 HA LEU 11 HA LEU 11 8.180 -2.003 -11.541 223 HB2 LEU 11 HB2 LEU 11 7.597 0.297 -12.125 224 HB3 LEU 11 HB3 LEU 11 6.168 -0.199 -12.968 225 HG LEU 11 HG LEU 11 6.380 -0.929 -10.052 226 HD11 LEU 11 HD11 LEU 11 5.705 1.828 -11.192 227 HD12 LEU 11 HD12 LEU 11 7.073 1.430 -10.126 228 HD13 LEU 11 HD13 LEU 11 5.419 1.334 -9.514 229 HD21 LEU 11 HD21 LEU 11 3.914 -0.383 -10.188 230 HD22 LEU 11 HD22 LEU 11 4.387 -1.698 -11.259 231 HD23 LEU 11 HD23 LEU 11 4.111 -0.066 -11.907 232 H VAL 12 H VAL 12 5.725 -2.385 -14.171 233 HA VAL 12 HA VAL 12 4.131 -4.183 -12.528 234 HB VAL 12 HB VAL 12 2.777 -4.561 -14.501 235 HG11 VAL 12 HG11 VAL 12 2.372 -2.627 -12.994 236 HG12 VAL 12 HG12 VAL 12 3.387 -1.610 -14.045 237 HG13 VAL 12 HG13 VAL 12 1.875 -2.291 -14.664 238 HG21 VAL 12 HG21 VAL 12 3.077 -3.281 -16.564 239 HG22 VAL 12 HG22 VAL 12 4.645 -2.694 -15.983 240 HG23 VAL 12 HG23 VAL 12 4.401 -4.420 -16.326 241 H GLU 13 H GLU 13 6.556 -4.741 -15.081 242 HA GLU 13 HA GLU 13 6.087 -7.559 -15.335 243 HB2 GLU 13 HB2 GLU 13 7.378 -6.116 -16.933 244 HB3 GLU 13 HB3 GLU 13 8.669 -5.999 -15.732 245 HG2 GLU 13 HG2 GLU 13 9.360 -7.648 -17.272 246 HG3 GLU 13 HG3 GLU 13 8.860 -8.552 -15.855 247 H ALA 14 H ALA 14 8.339 -5.716 -13.204 248 HA ALA 14 HA ALA 14 9.469 -8.031 -11.916 249 HB1 ALA 14 HB1 ALA 14 9.182 -5.130 -11.050 250 HB2 ALA 14 HB2 ALA 14 10.209 -6.351 -10.256 251 HB3 ALA 14 HB3 ALA 14 10.558 -5.839 -11.933 252 H LEU 15 H LEU 15 6.733 -5.846 -11.028 253 HA LEU 15 HA LEU 15 6.112 -7.106 -8.559 254 HB2 LEU 15 HB2 LEU 15 5.426 -4.853 -9.157 255 HB3 LEU 15 HB3 LEU 15 4.522 -5.447 -10.550 256 HG LEU 15 HG LEU 15 2.908 -6.520 -9.143 257 HD11 LEU 15 HD11 LEU 15 2.869 -6.260 -6.710 258 HD12 LEU 15 HD12 LEU 15 4.438 -5.414 -6.747 259 HD13 LEU 15 HD13 LEU 15 4.320 -7.129 -7.180 260 HD21 LEU 15 HD21 LEU 15 3.493 -3.652 -8.291 261 HD22 LEU 15 HD22 LEU 15 1.935 -4.470 -8.085 262 HD23 LEU 15 HD23 LEU 15 2.557 -4.153 -9.709 263 H TYR 16 H TYR 16 4.910 -7.755 -11.891 264 HA TYR 16 HA TYR 16 3.147 -9.892 -11.099 265 HB2 TYR 16 HB2 TYR 16 3.075 -8.526 -13.223 266 HB3 TYR 16 HB3 TYR 16 4.486 -9.412 -13.789 267 HD1 TYR 16 HD2 TYR 16 0.905 -9.657 -12.775 268 HD2 TYR 16 HD1 TYR 16 4.210 -11.689 -14.663 269 HE1 TYR 16 HE2 TYR 16 -0.648 -11.436 -13.586 270 HE2 TYR 16 HE1 TYR 16 2.655 -13.462 -15.472 271 HH TYR 16 HH TYR 16 0.477 -14.196 -15.561 272 H LEU 17 H LEU 17 6.605 -9.887 -12.064 273 HA LEU 17 HA LEU 17 6.917 -12.730 -12.045 274 HB2 LEU 17 HB2 LEU 17 8.464 -11.136 -13.119 275 HB3 LEU 17 HB3 LEU 17 8.907 -10.481 -11.544 276 HG LEU 17 HG LEU 17 9.909 -12.654 -10.907 277 HD11 LEU 17 HD11 LEU 17 8.600 -14.213 -12.293 278 HD12 LEU 17 HD12 LEU 17 10.322 -14.357 -12.666 279 HD13 LEU 17 HD13 LEU 17 9.253 -13.471 -13.769 280 HD21 LEU 17 HD21 LEU 17 11.276 -10.893 -11.945 281 HD22 LEU 17 HD22 LEU 17 10.918 -11.553 -13.557 282 HD23 LEU 17 HD23 LEU 17 11.853 -12.514 -12.387 283 H VAL 18 H VAL 18 7.104 -10.307 -9.430 284 HA VAL 18 HA VAL 18 7.913 -12.271 -7.395 285 HB VAL 18 HB VAL 18 7.000 -9.381 -7.253 286 HG11 VAL 18 HG11 VAL 18 6.190 -10.350 -5.191 287 HG12 VAL 18 HG12 VAL 18 7.680 -11.298 -4.980 288 HG13 VAL 18 HG13 VAL 18 7.698 -9.536 -4.808 289 HG21 VAL 18 HG21 VAL 18 9.620 -10.792 -6.589 290 HG22 VAL 18 HG22 VAL 18 9.316 -9.839 -8.062 291 HG23 VAL 18 HG23 VAL 18 9.328 -9.057 -6.475 292 H CYS 19 H CYS 19 4.798 -10.777 -8.372 293 HA CYS 19 HA CYS 19 3.267 -12.298 -6.454 294 HB2 CYS 19 HB2 CYS 19 2.429 -10.921 -9.014 295 HB3 CYS 19 HB3 CYS 19 1.330 -11.575 -7.800 296 H GLY 20 H GLY 20 4.682 -13.185 -9.544 297 HA2 GLY 20 HA2 GLY 20 4.824 -15.211 -10.573 298 HA3 GLY 20 HA3 GLY 20 4.499 -15.923 -8.982 299 H GLU 21 H GLU 21 2.619 -14.093 -11.386 300 HA GLU 21 HA GLU 21 0.617 -14.316 -12.342 301 HB2 GLU 21 HB2 GLU 21 0.741 -17.306 -11.944 302 HB3 GLU 21 HB3 GLU 21 -0.243 -16.401 -13.092 303 HG2 GLU 21 HG2 GLU 21 1.859 -15.569 -14.186 304 HG3 GLU 21 HG3 GLU 21 2.796 -16.628 -13.126 305 H ARG 22 H ARG 22 0.808 -14.503 -9.111 306 HA ARG 22 HA ARG 22 -1.986 -15.086 -8.445 307 HB2 ARG 22 HB2 ARG 22 0.122 -13.396 -7.032 308 HB3 ARG 22 HB3 ARG 22 -1.488 -13.658 -6.403 309 HG2 ARG 22 HG2 ARG 22 -1.175 -16.033 -6.210 310 HG3 ARG 22 HG3 ARG 22 0.406 -15.971 -6.990 311 HD2 ARG 22 HD2 ARG 22 -0.229 -14.481 -4.402 312 HD3 ARG 22 HD3 ARG 22 0.371 -16.154 -4.440 313 HE ARG 22 HE ARG 22 2.138 -14.688 -6.032 314 HH11 ARG 22 HH11 ARG 22 1.328 -14.607 -2.581 315 HH12 ARG 22 HH12 ARG 22 2.963 -14.054 -2.198 316 HH21 ARG 22 HH21 ARG 22 4.228 -14.002 -5.278 317 HH22 ARG 22 HH22 ARG 22 4.379 -13.764 -3.546 318 H GLY 23 H GLY 23 -0.486 -12.447 -10.067 319 HA2 GLY 23 HA2 GLY 23 -1.417 -10.529 -11.015 320 HA3 GLY 23 HA3 GLY 23 -2.957 -10.836 -10.211 321 H PHE 24 H PHE 24 -2.065 -8.313 -10.249 322 HA PHE 24 HA PHE 24 -1.363 -7.755 -7.429 323 HB2 PHE 24 HB2 PHE 24 0.244 -6.070 -8.031 324 HB3 PHE 24 HB3 PHE 24 0.714 -7.629 -8.672 325 HD1 PHE 24 HD2 PHE 24 -0.675 -4.290 -9.562 326 HD2 PHE 24 HD1 PHE 24 0.980 -7.982 -11.046 327 HE1 PHE 24 HE2 PHE 24 -0.460 -3.277 -11.818 328 HE2 PHE 24 HE1 PHE 24 1.194 -6.970 -13.309 329 HZ PHE 24 HZ PHE 24 0.467 -4.627 -13.703 330 H PHE 25 H PHE 25 -1.655 -5.576 -6.767 331 HA PHE 25 HA PHE 25 -4.100 -4.248 -7.896 332 HB2 PHE 25 HB2 PHE 25 -4.854 -5.872 -6.281 333 HB3 PHE 25 HB3 PHE 25 -3.594 -5.424 -5.140 334 HD1 PHE 25 HD2 PHE 25 -6.852 -4.390 -6.601 335 HD2 PHE 25 HD1 PHE 25 -3.808 -3.502 -3.675 336 HE1 PHE 25 HE2 PHE 25 -8.392 -2.803 -5.462 337 HE2 PHE 25 HE1 PHE 25 -5.337 -1.887 -2.576 338 HZ PHE 25 HZ PHE 25 -7.630 -1.535 -3.467 339 H TYR 26 H TYR 26 -1.276 -4.031 -5.796 340 HA TYR 26 HA TYR 26 -0.365 -2.445 -4.556 341 HB2 TYR 26 HB2 TYR 26 0.533 -0.537 -5.569 342 HB3 TYR 26 HB3 TYR 26 0.630 -1.905 -6.649 343 HD1 TYR 26 HD1 TYR 26 -0.800 -2.020 -8.709 344 HD2 TYR 26 HD2 TYR 26 -0.625 1.490 -6.216 345 HE1 TYR 26 HE1 TYR 26 -1.727 -0.643 -10.575 346 HE2 TYR 26 HE2 TYR 26 -1.523 2.857 -8.074 347 HH TYR 26 HH TYR 26 -2.170 2.898 -10.256 348 H THR 27 H THR 27 -2.603 -0.091 -5.962 349 HA THR 27 HA THR 27 -4.010 0.132 -3.341 350 HB THR 27 HB THR 27 -3.974 2.577 -3.433 351 HG1 THR 27 HG1 THR 27 -2.643 3.622 -4.883 352 HG21 THR 27 HG21 THR 27 -2.188 1.406 -2.134 353 HG22 THR 27 HG22 THR 27 -1.705 2.998 -2.738 354 HG23 THR 27 HG23 THR 27 -1.115 1.529 -3.543 355 H LYS 28 H LYS 28 -4.474 -0.473 -6.551 356 HA LYS 28 HA LYS 28 -7.176 0.773 -6.615 357 HB2 LYS 28 HB2 LYS 28 -5.621 2.415 -7.520 358 HB3 LYS 28 HB3 LYS 28 -4.994 1.227 -8.677 359 HG2 LYS 28 HG2 LYS 28 -7.101 1.194 -9.881 360 HG3 LYS 28 HG3 LYS 28 -7.903 2.127 -8.613 361 HD2 LYS 28 HD2 LYS 28 -7.417 3.569 -10.546 362 HD3 LYS 28 HD3 LYS 28 -6.550 4.088 -9.112 363 HE2 LYS 28 HE2 LYS 28 -4.941 4.295 -10.798 364 HE3 LYS 28 HE3 LYS 28 -4.520 2.787 -9.999 365 HZ1 LYS 28 HZ1 LYS 28 -5.948 3.078 -12.583 366 HZ2 LYS 28 HZ2 LYS 28 -5.786 1.631 -11.846 367 HZ3 LYS 28 HZ3 LYS 28 -4.462 2.443 -12.345 368 HA PRO 29 HA PRO 29 -7.861 -3.228 -8.598 369 HB2 PRO 29 HB2 PRO 29 -10.557 -3.182 -8.880 370 HB3 PRO 29 HB3 PRO 29 -9.767 -3.328 -7.287 371 HG2 PRO 29 HG2 PRO 29 -10.866 -0.817 -8.596 372 HG3 PRO 29 HG3 PRO 29 -11.136 -1.400 -6.921 373 HD2 PRO 29 HD2 PRO 29 -9.245 0.478 -7.560 374 HD3 PRO 29 HD3 PRO 29 -9.005 -0.691 -6.236 375 H THR 30 H THR 30 -8.874 -0.170 -10.007 376 HA THR 30 HA THR 30 -9.642 -1.123 -12.612 377 HB THR 30 HB THR 30 -8.836 1.687 -11.791 378 HG1 THR 30 HG1 THR 30 -11.049 1.918 -11.326 379 HG21 THR 30 HG21 THR 30 -10.465 2.349 -13.550 380 HG22 THR 30 HG22 THR 30 -10.705 0.638 -13.972 381 HG23 THR 30 HG23 THR 30 -9.127 1.416 -14.230 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 2.292 4.228 -1.692 2 H2 GLY 1 H2 GLY 1 0.819 4.708 -2.240 3 H3 GLY 1 H3 GLY 1 2.178 5.090 -3.083 4 HA2 GLY 1 HA2 GLY 1 1.130 2.357 -2.688 5 HA3 GLY 1 HA3 GLY 1 1.014 3.301 -4.185 6 H ILE 2 H ILE 2 2.168 1.470 -5.190 7 HA ILE 2 HA ILE 2 4.869 0.882 -4.354 8 HB ILE 2 HB ILE 2 3.432 -0.810 -5.323 9 HG12 ILE 2 HG12 ILE 2 5.954 -0.292 -6.967 10 HG13 ILE 2 HG13 ILE 2 5.908 -0.981 -5.341 11 HG21 ILE 2 HG21 ILE 2 2.270 0.597 -6.986 12 HG22 ILE 2 HG22 ILE 2 3.741 0.719 -7.947 13 HG23 ILE 2 HG23 ILE 2 2.942 -0.859 -7.718 14 HD11 ILE 2 HD11 ILE 2 6.253 -2.665 -6.954 15 HD12 ILE 2 HD12 ILE 2 4.621 -2.899 -6.264 16 HD13 ILE 2 HD13 ILE 2 4.828 -2.190 -7.888 17 H VAL 3 H VAL 3 3.617 3.263 -6.631 18 HA VAL 3 HA VAL 3 6.025 3.730 -8.104 19 HB VAL 3 HB VAL 3 3.838 5.659 -7.255 20 HG11 VAL 3 HG11 VAL 3 4.565 7.051 -9.168 21 HG12 VAL 3 HG12 VAL 3 5.862 6.916 -7.981 22 HG13 VAL 3 HG13 VAL 3 5.921 5.943 -9.468 23 HG21 VAL 3 HG21 VAL 3 4.258 4.050 -9.812 24 HG22 VAL 3 HG22 VAL 3 2.961 3.820 -8.619 25 HG23 VAL 3 HG23 VAL 3 3.005 5.291 -9.585 26 H GLU 4 H GLU 4 4.986 4.885 -4.897 27 HA GLU 4 HA GLU 4 7.417 6.340 -4.316 28 HB2 GLU 4 HB2 GLU 4 5.206 5.315 -2.492 29 HB3 GLU 4 HB3 GLU 4 6.504 6.397 -2.016 30 HG2 GLU 4 HG2 GLU 4 4.596 7.747 -2.365 31 HG3 GLU 4 HG3 GLU 4 5.752 8.087 -3.652 32 H GLN 5 H GLN 5 6.987 3.032 -4.608 33 HA GLN 5 HA GLN 5 9.023 2.339 -2.549 34 HB2 GLN 5 HB2 GLN 5 6.819 1.179 -2.439 35 HB3 GLN 5 HB3 GLN 5 7.115 0.486 -4.041 36 HG2 GLN 5 HG2 GLN 5 7.633 -1.099 -2.270 37 HG3 GLN 5 HG3 GLN 5 9.046 -0.727 -3.243 38 HE21 GLN 5 HE21 GLN 5 10.793 0.581 -2.275 39 HE22 GLN 5 HE22 GLN 5 10.895 0.661 -0.519 40 H CYS 6 H CYS 6 8.213 1.719 -5.977 41 HA CYS 6 HA CYS 6 10.947 0.610 -6.445 42 HB2 CYS 6 HB2 CYS 6 8.289 0.228 -7.839 43 HB3 CYS 6 HB3 CYS 6 9.802 -0.451 -8.401 44 H CYS 7 H CYS 7 8.774 3.196 -7.643 45 HA CYS 7 HA CYS 7 10.470 3.623 -10.012 46 HB2 CYS 7 HB2 CYS 7 7.982 3.947 -9.987 47 HB3 CYS 7 HB3 CYS 7 8.232 5.364 -8.965 48 H THR 8 H THR 8 9.806 5.362 -6.948 49 HA THR 8 HA THR 8 11.954 7.300 -7.466 50 HB THR 8 HB THR 8 9.677 7.766 -6.453 51 HG1 THR 8 HG1 THR 8 12.024 8.693 -5.160 52 HG21 THR 8 HG21 THR 8 9.739 6.013 -4.678 53 HG22 THR 8 HG22 THR 8 9.398 7.654 -4.075 54 HG23 THR 8 HG23 THR 8 11.002 6.940 -3.844 55 H SER 9 H SER 9 11.955 4.230 -6.086 56 HA SER 9 HA SER 9 14.654 4.567 -4.980 57 HB2 SER 9 HB2 SER 9 12.974 5.085 -3.108 58 HB3 SER 9 HB3 SER 9 12.511 3.374 -3.180 59 HG SER 9 HG SER 9 14.197 3.835 -1.640 60 H ILE 10 H ILE 10 15.428 2.360 -4.123 61 HA ILE 10 HA ILE 10 14.900 0.250 -6.130 62 HB ILE 10 HB ILE 10 16.818 0.386 -3.776 63 HG12 ILE 10 HG12 ILE 10 17.347 0.542 -6.781 64 HG13 ILE 10 HG13 ILE 10 17.271 1.945 -5.724 65 HG21 ILE 10 HG21 ILE 10 17.875 -1.661 -4.746 66 HG22 ILE 10 HG22 ILE 10 16.231 -1.983 -4.245 67 HG23 ILE 10 HG23 ILE 10 16.588 -1.736 -5.968 68 HD11 ILE 10 HD11 ILE 10 19.567 1.408 -6.120 69 HD12 ILE 10 HD12 ILE 10 19.187 1.107 -4.411 70 HD13 ILE 10 HD13 ILE 10 19.356 -0.251 -5.543 71 H CYS 11 H CYS 11 13.968 -1.766 -5.690 72 HA CYS 11 HA CYS 11 12.717 -2.193 -3.034 73 HB2 CYS 11 HB2 CYS 11 10.544 -2.520 -3.912 74 HB3 CYS 11 HB3 CYS 11 11.129 -0.952 -4.453 75 H SER 12 H SER 12 11.737 -4.361 -2.800 76 HA SER 12 HA SER 12 13.088 -6.477 -4.373 77 HB2 SER 12 HB2 SER 12 14.384 -5.791 -2.249 78 HB3 SER 12 HB3 SER 12 13.045 -6.485 -1.334 79 HG SER 12 HG SER 12 14.724 -8.014 -1.708 80 H LEU 13 H LEU 13 12.355 -8.680 -3.551 81 HA LEU 13 HA LEU 13 9.642 -9.272 -3.921 82 HB2 LEU 13 HB2 LEU 13 12.004 -10.648 -2.639 83 HB3 LEU 13 HB3 LEU 13 10.411 -11.271 -2.255 84 HG LEU 13 HG LEU 13 9.906 -11.533 -4.681 85 HD11 LEU 13 HD11 LEU 13 11.537 -9.932 -5.648 86 HD12 LEU 13 HD12 LEU 13 11.764 -11.558 -6.295 87 HD13 LEU 13 HD13 LEU 13 12.876 -10.961 -5.047 88 HD21 LEU 13 HD21 LEU 13 11.293 -13.545 -4.974 89 HD22 LEU 13 HD22 LEU 13 10.702 -13.413 -3.311 90 HD23 LEU 13 HD23 LEU 13 12.390 -12.986 -3.687 91 H TYR 14 H TYR 14 11.340 -8.502 -0.887 92 HA TYR 14 HA TYR 14 9.160 -9.147 0.858 93 HB2 TYR 14 HB2 TYR 14 11.471 -7.229 1.372 94 HB3 TYR 14 HB3 TYR 14 10.509 -8.072 2.580 95 HD1 TYR 14 HD1 TYR 14 10.504 -10.718 2.434 96 HD2 TYR 14 HD2 TYR 14 13.523 -8.180 0.677 97 HE1 TYR 14 HE1 TYR 14 12.075 -12.642 2.354 98 HE2 TYR 14 HE2 TYR 14 15.098 -10.110 0.605 99 HH TYR 14 HH TYR 14 14.169 -13.371 1.778 100 H GLN 15 H GLN 15 9.562 -6.419 -1.175 101 HA GLN 15 HA GLN 15 7.340 -4.977 0.222 102 HB2 GLN 15 HB2 GLN 15 9.293 -3.929 -1.857 103 HB3 GLN 15 HB3 GLN 15 7.975 -3.024 -1.096 104 HG2 GLN 15 HG2 GLN 15 10.386 -4.193 0.369 105 HG3 GLN 15 HG3 GLN 15 10.207 -2.524 -0.124 106 HE21 GLN 15 HE21 GLN 15 10.730 -2.970 2.509 107 HE22 GLN 15 HE22 GLN 15 9.284 -2.664 3.462 108 H LEU 16 H LEU 16 8.420 -6.319 -2.918 109 HA LEU 16 HA LEU 16 6.159 -5.555 -4.453 110 HB2 LEU 16 HB2 LEU 16 8.159 -7.827 -4.649 111 HB3 LEU 16 HB3 LEU 16 6.915 -7.599 -5.874 112 HG LEU 16 HG LEU 16 8.910 -5.422 -5.122 113 HD11 LEU 16 HD11 LEU 16 9.071 -7.378 -7.443 114 HD12 LEU 16 HD12 LEU 16 10.116 -7.403 -6.008 115 HD13 LEU 16 HD13 LEU 16 10.174 -6.022 -7.110 116 HD21 LEU 16 HD21 LEU 16 6.832 -4.695 -6.302 117 HD22 LEU 16 HD22 LEU 16 7.204 -5.837 -7.608 118 HD23 LEU 16 HD23 LEU 16 8.288 -4.468 -7.283 119 H GLU 17 H GLU 17 6.585 -8.509 -2.421 120 HA GLU 17 HA GLU 17 4.105 -9.711 -3.091 121 HB2 GLU 17 HB2 GLU 17 5.837 -9.809 -0.585 122 HB3 GLU 17 HB3 GLU 17 4.362 -10.772 -0.781 123 HG2 GLU 17 HG2 GLU 17 5.288 -11.661 -2.937 124 HG3 GLU 17 HG3 GLU 17 6.809 -10.874 -2.575 125 H ASN 18 H ASN 18 4.535 -6.771 -1.285 126 HA ASN 18 HA ASN 18 2.082 -7.056 0.289 127 HB2 ASN 18 HB2 ASN 18 3.841 -4.627 -0.207 128 HB3 ASN 18 HB3 ASN 18 2.544 -4.724 0.964 129 HD21 ASN 18 HD21 ASN 18 5.384 -4.176 1.513 130 HD22 ASN 18 HD22 ASN 18 5.915 -5.480 2.555 131 H TYR 19 H TYR 19 2.566 -6.420 -2.989 132 HA TYR 19 HA TYR 19 0.045 -4.807 -3.191 133 HB2 TYR 19 HB2 TYR 19 2.263 -4.972 -5.222 134 HB3 TYR 19 HB3 TYR 19 0.893 -3.880 -5.231 135 HD1 TYR 19 HD1 TYR 19 0.697 -2.222 -3.180 136 HD2 TYR 19 HD2 TYR 19 4.301 -4.277 -4.350 137 HE1 TYR 19 HE1 TYR 19 2.058 -0.545 -1.929 138 HE2 TYR 19 HE2 TYR 19 5.662 -2.607 -3.083 139 HH TYR 19 HH TYR 19 4.169 0.110 -1.302 140 H CYS 20 H CYS 20 0.779 -7.979 -3.392 141 HA CYS 20 HA CYS 20 -0.308 -8.627 -5.991 142 HB2 CYS 20 HB2 CYS 20 0.136 -10.425 -3.607 143 HB3 CYS 20 HB3 CYS 20 -0.197 -10.933 -5.266 144 H ASN 21 H ASN 21 -2.122 -9.995 -6.390 145 HA ASN 21 HA ASN 21 -4.658 -9.095 -5.324 146 HB2 ASN 21 HB2 ASN 21 -4.309 -9.716 -7.679 147 HB3 ASN 21 HB3 ASN 21 -3.808 -11.336 -7.200 148 HD21 ASN 21 HD21 ASN 21 -5.367 -12.272 -8.548 149 HD22 ASN 21 HD22 ASN 21 -7.084 -12.225 -8.125 150 H1 PHE 1 H1 PHE 1 16.676 -8.331 -3.744 151 H2 PHE 1 H2 PHE 1 17.662 -9.511 -4.306 152 H3 PHE 1 H3 PHE 1 16.151 -9.883 -3.793 153 HA PHE 1 HA PHE 1 16.204 -9.928 -6.170 154 HB2 PHE 1 HB2 PHE 1 14.178 -9.077 -4.873 155 HB3 PHE 1 HB3 PHE 1 14.746 -7.449 -5.226 156 HD1 PHE 1 HD2 PHE 1 14.513 -10.556 -7.400 157 HD2 PHE 1 HD1 PHE 1 13.151 -6.511 -6.697 158 HE1 PHE 1 HE2 PHE 1 13.241 -10.609 -9.520 159 HE2 PHE 1 HE1 PHE 1 11.889 -6.583 -8.818 160 HZ PHE 1 HZ PHE 1 11.929 -8.622 -10.244 161 H VAL 2 H VAL 2 15.641 -7.151 -7.448 162 HA VAL 2 HA VAL 2 18.262 -6.680 -8.521 163 HB VAL 2 HB VAL 2 17.285 -4.774 -9.661 164 HG11 VAL 2 HG11 VAL 2 15.353 -7.119 -9.695 165 HG12 VAL 2 HG12 VAL 2 15.614 -5.922 -10.979 166 HG13 VAL 2 HG13 VAL 2 16.908 -7.052 -10.544 167 HG21 VAL 2 HG21 VAL 2 15.802 -3.883 -7.864 168 HG22 VAL 2 HG22 VAL 2 14.993 -4.067 -9.420 169 HG23 VAL 2 HG23 VAL 2 14.709 -5.251 -8.131 170 H ASN 3 H ASN 3 19.418 -4.668 -8.556 171 HA ASN 3 HA ASN 3 19.273 -3.014 -6.074 172 HB2 ASN 3 HB2 ASN 3 21.686 -2.661 -6.246 173 HB3 ASN 3 HB3 ASN 3 21.276 -4.345 -5.983 174 HD21 ASN 3 HD21 ASN 3 21.657 -5.886 -7.697 175 HD22 ASN 3 HD22 ASN 3 22.707 -5.453 -9.045 176 H GLN 4 H GLN 4 17.696 -2.711 -8.424 177 HA GLN 4 HA GLN 4 18.594 -0.074 -9.491 178 HB2 GLN 4 HB2 GLN 4 17.232 -2.261 -11.101 179 HB3 GLN 4 HB3 GLN 4 17.728 -0.668 -11.662 180 HG2 GLN 4 HG2 GLN 4 19.553 -1.674 -12.410 181 HG3 GLN 4 HG3 GLN 4 20.151 -1.604 -10.768 182 HE21 GLN 4 HE21 GLN 4 18.740 -3.715 -13.272 183 HE22 GLN 4 HE22 GLN 4 19.120 -5.213 -12.433 184 H HIS 5 H HIS 5 16.844 1.269 -10.283 185 HA HIS 5 HA HIS 5 14.300 1.084 -8.811 186 HB2 HIS 5 HB2 HIS 5 15.340 2.973 -10.966 187 HB3 HIS 5 HB3 HIS 5 13.724 3.059 -10.277 188 HD1 HIS 5 HD1 HIS 5 13.823 5.246 -8.931 189 HD2 HIS 5 HD2 HIS 5 17.118 2.709 -8.273 190 HE1 HIS 5 HE1 HIS 5 15.280 6.378 -7.160 191 H LEU 6 H LEU 6 12.272 0.743 -9.773 192 HA LEU 6 HA LEU 6 12.140 -0.365 -12.543 193 HB2 LEU 6 HB2 LEU 6 10.827 -1.590 -10.087 194 HB3 LEU 6 HB3 LEU 6 10.590 -2.120 -11.745 195 HG LEU 6 HG LEU 6 13.249 -2.242 -10.279 196 HD11 LEU 6 HD11 LEU 6 11.644 -3.679 -9.164 197 HD12 LEU 6 HD12 LEU 6 12.772 -4.675 -10.109 198 HD13 LEU 6 HD13 LEU 6 11.138 -4.363 -10.726 199 HD21 LEU 6 HD21 LEU 6 13.929 -3.787 -12.038 200 HD22 LEU 6 HD22 LEU 6 13.431 -2.262 -12.781 201 HD23 LEU 6 HD23 LEU 6 12.340 -3.676 -12.807 202 H CYS 7 H CYS 7 10.762 0.930 -13.630 203 HA CYS 7 HA CYS 7 8.299 1.920 -12.276 204 HB2 CYS 7 HB2 CYS 7 10.267 3.589 -12.335 205 HB3 CYS 7 HB3 CYS 7 9.944 3.718 -14.065 206 H GLY 8 H GLY 8 6.547 2.427 -13.689 207 HA2 GLY 8 HA2 GLY 8 5.119 1.980 -15.457 208 HA3 GLY 8 HA3 GLY 8 6.525 2.175 -16.502 209 H SER 9 H SER 9 6.824 0.439 -17.808 210 HA SER 9 HA SER 9 5.534 -2.093 -17.522 211 HB2 SER 9 HB2 SER 9 7.063 -2.784 -19.353 212 HB3 SER 9 HB3 SER 9 6.165 -1.290 -19.679 213 HG SER 9 HG SER 9 8.392 -1.091 -20.232 214 H HIS 10 H HIS 10 8.751 -1.023 -16.430 215 HA HIS 10 HA HIS 10 9.786 -3.681 -15.883 216 HB2 HIS 10 HB2 HIS 10 10.553 -0.903 -14.873 217 HB3 HIS 10 HB3 HIS 10 11.417 -2.370 -14.457 218 HD1 HIS 10 HD1 HIS 10 13.185 -3.240 -16.162 219 HD2 HIS 10 HD2 HIS 10 10.691 -0.162 -17.593 220 HE1 HIS 10 HE1 HIS 10 14.202 -2.470 -18.357 221 H LEU 11 H LEU 11 7.992 -1.273 -14.012 222 HA LEU 11 HA LEU 11 8.205 -2.518 -11.437 223 HB2 LEU 11 HB2 LEU 11 7.734 -0.186 -11.770 224 HB3 LEU 11 HB3 LEU 11 6.243 -0.501 -12.632 225 HG LEU 11 HG LEU 11 6.560 -1.430 -9.771 226 HD11 LEU 11 HD11 LEU 11 5.678 0.759 -9.037 227 HD12 LEU 11 HD12 LEU 11 5.702 1.351 -10.710 228 HD13 LEU 11 HD13 LEU 11 7.218 0.974 -9.867 229 HD21 LEU 11 HD21 LEU 11 4.090 -0.888 -9.757 230 HD22 LEU 11 HD22 LEU 11 4.496 -2.175 -10.871 231 HD23 LEU 11 HD23 LEU 11 4.192 -0.532 -11.486 232 H VAL 12 H VAL 12 5.596 -2.603 -13.967 233 HA VAL 12 HA VAL 12 3.990 -4.408 -12.374 234 HB VAL 12 HB VAL 12 2.574 -4.666 -14.339 235 HG11 VAL 12 HG11 VAL 12 1.734 -2.368 -14.353 236 HG12 VAL 12 HG12 VAL 12 2.259 -2.814 -12.719 237 HG13 VAL 12 HG13 VAL 12 3.280 -1.766 -13.723 238 HG21 VAL 12 HG21 VAL 12 4.183 -4.460 -16.188 239 HG22 VAL 12 HG22 VAL 12 2.867 -3.286 -16.334 240 HG23 VAL 12 HG23 VAL 12 4.446 -2.753 -15.752 241 H GLU 13 H GLU 13 6.334 -4.977 -14.992 242 HA GLU 13 HA GLU 13 5.737 -7.769 -15.301 243 HB2 GLU 13 HB2 GLU 13 7.003 -6.418 -16.930 244 HB3 GLU 13 HB3 GLU 13 8.345 -6.263 -15.784 245 HG2 GLU 13 HG2 GLU 13 8.683 -8.718 -15.846 246 HG3 GLU 13 HG3 GLU 13 7.265 -8.906 -16.876 247 H ALA 14 H ALA 14 8.136 -6.072 -13.207 248 HA ALA 14 HA ALA 14 9.158 -8.443 -11.957 249 HB1 ALA 14 HB1 ALA 14 9.021 -5.542 -11.033 250 HB2 ALA 14 HB2 ALA 14 10.000 -6.819 -10.279 251 HB3 ALA 14 HB3 ALA 14 10.339 -6.304 -11.950 252 H LEU 15 H LEU 15 6.507 -6.172 -10.973 253 HA LEU 15 HA LEU 15 5.892 -7.498 -8.540 254 HB2 LEU 15 HB2 LEU 15 5.270 -5.210 -8.982 255 HB3 LEU 15 HB3 LEU 15 4.340 -5.675 -10.411 256 HG LEU 15 HG LEU 15 2.707 -6.798 -9.048 257 HD11 LEU 15 HD11 LEU 15 2.699 -6.645 -6.611 258 HD12 LEU 15 HD12 LEU 15 4.261 -5.794 -6.624 259 HD13 LEU 15 HD13 LEU 15 4.146 -7.492 -7.117 260 HD21 LEU 15 HD21 LEU 15 1.772 -4.767 -7.926 261 HD22 LEU 15 HD22 LEU 15 2.424 -4.405 -9.542 262 HD23 LEU 15 HD23 LEU 15 3.342 -3.979 -8.090 263 H TYR 16 H TYR 16 4.520 -7.975 -11.846 264 HA TYR 16 HA TYR 16 2.691 -10.078 -11.132 265 HB2 TYR 16 HB2 TYR 16 2.658 -8.701 -13.210 266 HB3 TYR 16 HB3 TYR 16 4.130 -9.488 -13.754 267 HD1 TYR 16 HD1 TYR 16 0.502 -9.845 -13.191 268 HD2 TYR 16 HD2 TYR 16 4.081 -11.807 -14.598 269 HE1 TYR 16 HE1 TYR 16 -0.888 -11.613 -14.267 270 HE2 TYR 16 HE2 TYR 16 2.689 -13.557 -15.689 271 HH TYR 16 HH TYR 16 0.564 -14.293 -16.150 272 H LEU 17 H LEU 17 6.151 -10.194 -12.133 273 HA LEU 17 HA LEU 17 6.359 -13.040 -12.145 274 HB2 LEU 17 HB2 LEU 17 7.952 -11.505 -13.212 275 HB3 LEU 17 HB3 LEU 17 8.413 -10.842 -11.647 276 HG LEU 17 HG LEU 17 9.377 -13.031 -10.984 277 HD11 LEU 17 HD11 LEU 17 9.750 -14.762 -12.733 278 HD12 LEU 17 HD12 LEU 17 8.699 -13.853 -13.843 279 HD13 LEU 17 HD13 LEU 17 8.037 -14.572 -12.350 280 HD21 LEU 17 HD21 LEU 17 11.323 -12.923 -12.464 281 HD22 LEU 17 HD22 LEU 17 10.763 -11.295 -12.044 282 HD23 LEU 17 HD23 LEU 17 10.397 -11.970 -13.646 283 H VAL 18 H VAL 18 6.654 -10.666 -9.488 284 HA VAL 18 HA VAL 18 7.492 -12.697 -7.547 285 HB VAL 18 HB VAL 18 6.752 -9.768 -7.298 286 HG11 VAL 18 HG11 VAL 18 7.509 -11.733 -5.098 287 HG12 VAL 18 HG12 VAL 18 7.619 -9.981 -4.932 288 HG13 VAL 18 HG13 VAL 18 6.044 -10.725 -5.192 289 HG21 VAL 18 HG21 VAL 18 9.176 -9.636 -6.661 290 HG22 VAL 18 HG22 VAL 18 9.326 -11.377 -6.965 291 HG23 VAL 18 HG23 VAL 18 8.960 -10.269 -8.296 292 H CYS 19 H CYS 19 4.373 -11.153 -8.396 293 HA CYS 19 HA CYS 19 2.912 -12.608 -6.354 294 HB2 CYS 19 HB2 CYS 19 1.991 -11.239 -8.909 295 HB3 CYS 19 HB3 CYS 19 0.941 -11.796 -7.602 296 H GLY 20 H GLY 20 4.194 -13.453 -9.454 297 HA2 GLY 20 HA2 GLY 20 4.318 -15.399 -10.579 298 HA3 GLY 20 HA3 GLY 20 3.809 -16.221 -9.086 299 H GLU 21 H GLU 21 2.403 -14.144 -11.616 300 HA GLU 21 HA GLU 21 0.550 -14.225 -12.885 301 HB2 GLU 21 HB2 GLU 21 0.504 -17.231 -12.526 302 HB3 GLU 21 HB3 GLU 21 -0.204 -16.284 -13.831 303 HG2 GLU 21 HG2 GLU 21 2.104 -15.538 -14.496 304 HG3 GLU 21 HG3 GLU 21 2.772 -16.624 -13.275 305 H ARG 22 H ARG 22 0.185 -14.552 -9.689 306 HA ARG 22 HA ARG 22 -2.715 -15.105 -9.573 307 HB2 ARG 22 HB2 ARG 22 -0.667 -14.009 -7.607 308 HB3 ARG 22 HB3 ARG 22 -2.385 -13.931 -7.265 309 HG2 ARG 22 HG2 ARG 22 -1.423 -15.882 -6.227 310 HG3 ARG 22 HG3 ARG 22 -2.654 -16.312 -7.424 311 HD2 ARG 22 HD2 ARG 22 -0.925 -16.995 -9.017 312 HD3 ARG 22 HD3 ARG 22 0.345 -16.442 -7.900 313 HE ARG 22 HE ARG 22 -1.278 -18.350 -6.567 314 HH11 ARG 22 HH11 ARG 22 1.102 -18.265 -9.152 315 HH12 ARG 22 HH12 ARG 22 1.569 -19.929 -8.890 316 HH21 ARG 22 HH21 ARG 22 -0.592 -20.456 -6.268 317 HH22 ARG 22 HH22 ARG 22 0.652 -21.119 -7.292 318 H GLY 23 H GLY 23 -0.788 -12.391 -10.292 319 HA2 GLY 23 HA2 GLY 23 -1.503 -10.317 -11.234 320 HA3 GLY 23 HA3 GLY 23 -3.132 -10.593 -10.627 321 H PHE 24 H PHE 24 -2.418 -8.219 -10.225 322 HA PHE 24 HA PHE 24 -1.686 -7.816 -7.393 323 HB2 PHE 24 HB2 PHE 24 0.066 -6.230 -7.973 324 HB3 PHE 24 HB3 PHE 24 0.438 -7.816 -8.613 325 HD1 PHE 24 HD2 PHE 24 -0.614 -4.365 -9.483 326 HD2 PHE 24 HD1 PHE 24 0.611 -8.200 -11.022 327 HE1 PHE 24 HE2 PHE 24 -0.386 -3.382 -11.755 328 HE2 PHE 24 HE1 PHE 24 0.851 -7.199 -13.294 329 HZ PHE 24 HZ PHE 24 0.333 -4.809 -13.658 330 H PHE 25 H PHE 25 -1.833 -5.515 -6.763 331 HA PHE 25 HA PHE 25 -3.505 -3.753 -8.428 332 HB2 PHE 25 HB2 PHE 25 -5.152 -4.860 -7.000 333 HB3 PHE 25 HB3 PHE 25 -4.211 -4.467 -5.562 334 HD1 PHE 25 HD2 PHE 25 -5.903 -2.853 -8.518 335 HD2 PHE 25 HD1 PHE 25 -4.681 -2.446 -4.400 336 HE1 PHE 25 HE2 PHE 25 -7.057 -0.654 -8.395 337 HE2 PHE 25 HE1 PHE 25 -5.856 -0.259 -4.272 338 HZ PHE 25 HZ PHE 25 -7.044 0.638 -6.263 339 H TYR 26 H TYR 26 -1.881 -2.420 -8.800 340 HA TYR 26 HA TYR 26 0.089 -1.630 -6.861 341 HB2 TYR 26 HB2 TYR 26 0.901 -0.190 -8.728 342 HB3 TYR 26 HB3 TYR 26 0.795 -1.903 -9.038 343 HD1 TYR 26 HD2 TYR 26 -2.539 -0.490 -9.459 344 HD2 TYR 26 HD1 TYR 26 1.353 -0.859 -11.287 345 HE1 TYR 26 HE2 TYR 26 -3.529 -0.016 -11.678 346 HE2 TYR 26 HE1 TYR 26 0.354 -0.357 -13.510 347 HH TYR 26 HH TYR 26 -1.575 0.092 -14.679 348 H THR 27 H THR 27 -2.989 -0.474 -7.125 349 HA THR 27 HA THR 27 -4.204 1.256 -6.602 350 HB THR 27 HB THR 27 -3.456 0.595 -4.417 351 HG1 THR 27 HG1 THR 27 -4.223 2.442 -3.426 352 HG21 THR 27 HG21 THR 27 -1.479 2.905 -4.579 353 HG22 THR 27 HG22 THR 27 -1.125 1.178 -4.276 354 HG23 THR 27 HG23 THR 27 -2.012 2.109 -3.078 355 H LYS 28 H LYS 28 -1.000 2.515 -6.972 356 HA LYS 28 HA LYS 28 -0.053 4.311 -7.903 357 HB2 LYS 28 HB2 LYS 28 -2.600 4.452 -9.541 358 HB3 LYS 28 HB3 LYS 28 -1.137 5.357 -9.897 359 HG2 LYS 28 HG2 LYS 28 0.143 3.237 -10.102 360 HG3 LYS 28 HG3 LYS 28 -1.337 2.318 -9.812 361 HD2 LYS 28 HD2 LYS 28 -0.840 4.211 -12.146 362 HD3 LYS 28 HD3 LYS 28 -0.769 2.447 -12.199 363 HE2 LYS 28 HE2 LYS 28 -3.200 2.426 -11.401 364 HE3 LYS 28 HE3 LYS 28 -3.219 4.175 -11.639 365 HZ1 LYS 28 HZ1 LYS 28 -4.065 3.075 -13.608 366 HZ2 LYS 28 HZ2 LYS 28 -2.741 2.132 -13.745 367 HZ3 LYS 28 HZ3 LYS 28 -2.638 3.757 -14.002 368 HA PRO 29 HA PRO 29 -1.220 8.057 -5.812 369 HB2 PRO 29 HB2 PRO 29 0.341 9.935 -7.026 370 HB3 PRO 29 HB3 PRO 29 1.017 8.647 -5.996 371 HG2 PRO 29 HG2 PRO 29 0.800 8.667 -9.027 372 HG3 PRO 29 HG3 PRO 29 2.242 8.304 -8.026 373 HD2 PRO 29 HD2 PRO 29 0.664 6.330 -9.021 374 HD3 PRO 29 HD3 PRO 29 1.386 6.199 -7.394 375 H THR 30 H THR 30 -1.714 7.711 -9.256 376 HA THR 30 HA THR 30 -3.841 9.800 -9.307 377 HB THR 30 HB THR 30 -3.161 10.283 -11.662 378 HG1 THR 30 HG1 THR 30 -1.837 8.375 -11.820 379 HG21 THR 30 HG21 THR 30 -2.557 11.820 -9.802 380 HG22 THR 30 HG22 THR 30 -1.356 11.812 -11.111 381 HG23 THR 30 HG23 THR 30 -1.023 10.948 -9.598 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 3.180 4.088 -1.466 2 H2 GLY 1 H2 GLY 1 2.736 2.580 -0.998 3 H3 GLY 1 H3 GLY 1 1.648 3.794 -0.986 4 HA2 GLY 1 HA2 GLY 1 1.207 2.387 -2.872 5 HA3 GLY 1 HA3 GLY 1 1.746 3.991 -3.398 6 H ILE 2 H ILE 2 1.898 1.675 -5.026 7 HA ILE 2 HA ILE 2 4.464 0.419 -4.875 8 HB ILE 2 HB ILE 2 2.440 -0.549 -5.932 9 HG12 ILE 2 HG12 ILE 2 3.474 -1.746 -7.704 10 HG13 ILE 2 HG13 ILE 2 4.757 -0.535 -7.890 11 HG21 ILE 2 HG21 ILE 2 3.169 1.179 -8.333 12 HG22 ILE 2 HG22 ILE 2 1.858 0.002 -8.224 13 HG23 ILE 2 HG23 ILE 2 1.784 1.485 -7.258 14 HD11 ILE 2 HD11 ILE 2 5.686 -1.201 -5.691 15 HD12 ILE 2 HD12 ILE 2 4.374 -2.399 -5.583 16 HD13 ILE 2 HD13 ILE 2 5.598 -2.541 -6.846 17 H VAL 3 H VAL 3 3.437 3.292 -6.720 18 HA VAL 3 HA VAL 3 5.913 3.574 -8.199 19 HB VAL 3 HB VAL 3 3.743 5.605 -7.523 20 HG11 VAL 3 HG11 VAL 3 5.822 5.728 -9.743 21 HG12 VAL 3 HG12 VAL 3 4.535 6.898 -9.428 22 HG13 VAL 3 HG13 VAL 3 5.850 6.729 -8.266 23 HG21 VAL 3 HG21 VAL 3 4.186 3.826 -9.965 24 HG22 VAL 3 HG22 VAL 3 2.826 3.739 -8.834 25 HG23 VAL 3 HG23 VAL 3 3.006 5.145 -9.882 26 H GLU 4 H GLU 4 4.712 4.866 -5.133 27 HA GLU 4 HA GLU 4 6.959 6.479 -4.368 28 HB2 GLU 4 HB2 GLU 4 4.749 6.674 -3.408 29 HB3 GLU 4 HB3 GLU 4 4.781 5.001 -2.866 30 HG2 GLU 4 HG2 GLU 4 6.588 5.547 -1.249 31 HG3 GLU 4 HG3 GLU 4 6.535 7.234 -1.790 32 H GLN 5 H GLN 5 6.356 2.969 -4.124 33 HA GLN 5 HA GLN 5 8.775 2.513 -2.525 34 HB2 GLN 5 HB2 GLN 5 6.737 1.273 -2.101 35 HB3 GLN 5 HB3 GLN 5 6.757 0.624 -3.744 36 HG2 GLN 5 HG2 GLN 5 7.573 -1.039 -2.172 37 HG3 GLN 5 HG3 GLN 5 8.860 -0.557 -3.264 38 HE21 GLN 5 HE21 GLN 5 10.681 0.711 -2.386 39 HE22 GLN 5 HE22 GLN 5 10.930 0.739 -0.650 40 H CYS 6 H CYS 6 7.811 1.894 -5.936 41 HA CYS 6 HA CYS 6 10.494 0.718 -6.463 42 HB2 CYS 6 HB2 CYS 6 7.775 0.487 -7.796 43 HB3 CYS 6 HB3 CYS 6 9.255 -0.141 -8.501 44 H CYS 7 H CYS 7 8.524 3.485 -7.633 45 HA CYS 7 HA CYS 7 10.289 3.749 -9.995 46 HB2 CYS 7 HB2 CYS 7 7.830 4.123 -10.107 47 HB3 CYS 7 HB3 CYS 7 8.039 5.533 -9.063 48 H THR 8 H THR 8 9.492 5.702 -7.093 49 HA THR 8 HA THR 8 11.731 7.552 -7.629 50 HB THR 8 HB THR 8 9.426 8.226 -6.939 51 HG1 THR 8 HG1 THR 8 10.214 9.920 -5.693 52 HG21 THR 8 HG21 THR 8 8.838 8.288 -4.595 53 HG22 THR 8 HG22 THR 8 10.356 7.490 -4.135 54 HG23 THR 8 HG23 THR 8 9.131 6.612 -5.073 55 H SER 9 H SER 9 11.429 4.655 -5.952 56 HA SER 9 HA SER 9 14.057 4.996 -4.592 57 HB2 SER 9 HB2 SER 9 11.507 3.894 -3.334 58 HB3 SER 9 HB3 SER 9 13.118 3.710 -2.643 59 HG SER 9 HG SER 9 13.258 6.001 -2.512 60 H ILE 10 H ILE 10 15.009 2.866 -3.990 61 HA ILE 10 HA ILE 10 14.659 0.786 -6.005 62 HB ILE 10 HB ILE 10 16.252 0.926 -3.421 63 HG12 ILE 10 HG12 ILE 10 17.149 0.903 -6.330 64 HG13 ILE 10 HG13 ILE 10 16.956 2.365 -5.367 65 HG21 ILE 10 HG21 ILE 10 15.725 -1.422 -3.713 66 HG22 ILE 10 HG22 ILE 10 16.140 -1.350 -5.439 67 HG23 ILE 10 HG23 ILE 10 17.392 -1.185 -4.182 68 HD11 ILE 10 HD11 ILE 10 18.984 0.166 -4.875 69 HD12 ILE 10 HD12 ILE 10 19.281 1.825 -5.402 70 HD13 ILE 10 HD13 ILE 10 18.678 1.522 -3.760 71 H CYS 11 H CYS 11 13.639 -1.177 -5.844 72 HA CYS 11 HA CYS 11 12.413 -1.955 -3.275 73 HB2 CYS 11 HB2 CYS 11 10.279 -2.410 -4.131 74 HB3 CYS 11 HB3 CYS 11 10.696 -0.773 -4.608 75 H SER 12 H SER 12 11.765 -4.230 -3.204 76 HA SER 12 HA SER 12 13.459 -6.022 -4.870 77 HB2 SER 12 HB2 SER 12 14.272 -7.105 -2.868 78 HB3 SER 12 HB3 SER 12 14.595 -5.375 -2.716 79 HG SER 12 HG SER 12 13.677 -5.953 -0.807 80 H LEU 13 H LEU 13 12.959 -8.335 -4.409 81 HA LEU 13 HA LEU 13 10.387 -9.323 -4.682 82 HB2 LEU 13 HB2 LEU 13 12.357 -10.678 -4.937 83 HB3 LEU 13 HB3 LEU 13 12.939 -10.294 -3.327 84 HG LEU 13 HG LEU 13 11.197 -11.710 -2.308 85 HD11 LEU 13 HD11 LEU 13 9.465 -11.590 -4.018 86 HD12 LEU 13 HD12 LEU 13 9.912 -13.272 -3.722 87 HD13 LEU 13 HD13 LEU 13 10.507 -12.444 -5.184 88 HD21 LEU 13 HD21 LEU 13 12.164 -13.851 -3.010 89 HD22 LEU 13 HD22 LEU 13 13.420 -12.613 -2.844 90 HD23 LEU 13 HD23 LEU 13 12.851 -13.096 -4.461 91 H TYR 14 H TYR 14 12.014 -8.370 -1.646 92 HA TYR 14 HA TYR 14 9.914 -9.500 0.030 93 HB2 TYR 14 HB2 TYR 14 12.196 -7.655 0.804 94 HB3 TYR 14 HB3 TYR 14 11.268 -8.699 1.872 95 HD1 TYR 14 HD1 TYR 14 11.332 -11.262 1.387 96 HD2 TYR 14 HD2 TYR 14 14.196 -8.464 -0.205 97 HE1 TYR 14 HE1 TYR 14 12.885 -13.140 0.905 98 HE2 TYR 14 HE2 TYR 14 15.750 -10.350 -0.709 99 HH TYR 14 HH TYR 14 14.943 -13.755 0.060 100 H GLN 15 H GLN 15 10.215 -6.534 -1.624 101 HA GLN 15 HA GLN 15 8.054 -5.235 0.006 102 HB2 GLN 15 HB2 GLN 15 9.640 -4.136 -2.338 103 HB3 GLN 15 HB3 GLN 15 8.439 -3.274 -1.382 104 HG2 GLN 15 HG2 GLN 15 11.117 -4.325 -0.362 105 HG3 GLN 15 HG3 GLN 15 10.740 -2.657 -0.760 106 HE21 GLN 15 HE21 GLN 15 11.764 -3.184 1.734 107 HE22 GLN 15 HE22 GLN 15 10.495 -2.961 2.933 108 H LEU 16 H LEU 16 8.818 -6.392 -3.280 109 HA LEU 16 HA LEU 16 6.410 -5.742 -4.548 110 HB2 LEU 16 HB2 LEU 16 8.595 -7.778 -5.012 111 HB3 LEU 16 HB3 LEU 16 7.255 -7.634 -6.138 112 HG LEU 16 HG LEU 16 9.105 -5.313 -5.397 113 HD11 LEU 16 HD11 LEU 16 9.108 -7.115 -7.852 114 HD12 LEU 16 HD12 LEU 16 10.323 -7.111 -6.557 115 HD13 LEU 16 HD13 LEU 16 10.138 -5.690 -7.592 116 HD21 LEU 16 HD21 LEU 16 8.184 -4.306 -7.479 117 HD22 LEU 16 HD22 LEU 16 6.923 -4.544 -6.262 118 HD23 LEU 16 HD23 LEU 16 7.079 -5.682 -7.622 119 H GLU 17 H GLU 17 7.054 -8.720 -2.608 120 HA GLU 17 HA GLU 17 4.573 -9.974 -3.333 121 HB2 GLU 17 HB2 GLU 17 6.438 -10.278 -0.944 122 HB3 GLU 17 HB3 GLU 17 4.903 -11.150 -1.067 123 HG2 GLU 17 HG2 GLU 17 5.770 -11.780 -3.487 124 HG3 GLU 17 HG3 GLU 17 7.348 -11.434 -2.787 125 H ASN 18 H ASN 18 4.980 -7.150 -1.372 126 HA ASN 18 HA ASN 18 2.600 -7.597 0.265 127 HB2 ASN 18 HB2 ASN 18 4.281 -5.100 -0.229 128 HB3 ASN 18 HB3 ASN 18 2.956 -5.193 0.908 129 HD21 ASN 18 HD21 ASN 18 6.215 -6.134 0.249 130 HD22 ASN 18 HD22 ASN 18 6.578 -6.826 1.827 131 H TYR 19 H TYR 19 2.893 -6.832 -3.009 132 HA TYR 19 HA TYR 19 0.426 -5.170 -3.071 133 HB2 TYR 19 HB2 TYR 19 2.505 -5.733 -5.179 134 HB3 TYR 19 HB3 TYR 19 1.121 -4.667 -5.395 135 HD1 TYR 19 HD1 TYR 19 1.021 -2.487 -4.232 136 HD2 TYR 19 HD2 TYR 19 4.459 -5.044 -3.999 137 HE1 TYR 19 HE1 TYR 19 2.254 -0.695 -3.022 138 HE2 TYR 19 HE2 TYR 19 5.697 -3.271 -2.717 139 HH TYR 19 HH TYR 19 4.198 -0.112 -1.944 140 H CYS 20 H CYS 20 1.143 -8.466 -3.361 141 HA CYS 20 HA CYS 20 -0.785 -9.205 -5.384 142 HB2 CYS 20 HB2 CYS 20 0.318 -10.753 -3.029 143 HB3 CYS 20 HB3 CYS 20 -0.676 -11.424 -4.326 144 H ASN 21 H ASN 21 -2.892 -9.995 -5.114 145 HA ASN 21 HA ASN 21 -4.529 -8.631 -3.173 146 HB2 ASN 21 HB2 ASN 21 -6.390 -9.508 -4.295 147 HB3 ASN 21 HB3 ASN 21 -5.203 -9.225 -5.555 148 HD21 ASN 21 HD21 ASN 21 -3.967 -11.230 -6.297 149 HD22 ASN 21 HD22 ASN 21 -4.836 -12.744 -6.284 150 H1 PHE 1 H1 PHE 1 17.811 -11.212 -5.314 151 H2 PHE 1 H2 PHE 1 18.372 -11.656 -6.784 152 H3 PHE 1 H3 PHE 1 17.052 -12.395 -6.157 153 HA PHE 1 HA PHE 1 16.405 -10.861 -7.872 154 HB2 PHE 1 HB2 PHE 1 14.968 -11.282 -5.808 155 HB3 PHE 1 HB3 PHE 1 15.559 -9.761 -5.158 156 HD1 PHE 1 HD2 PHE 1 13.661 -11.362 -7.949 157 HD2 PHE 1 HD1 PHE 1 14.642 -7.659 -5.981 158 HE1 PHE 1 HE2 PHE 1 11.908 -10.188 -9.273 159 HE2 PHE 1 HE1 PHE 1 12.885 -6.493 -7.291 160 HZ PHE 1 HZ PHE 1 11.525 -7.756 -8.942 161 H VAL 2 H VAL 2 16.038 -8.460 -8.345 162 HA VAL 2 HA VAL 2 18.621 -7.143 -8.392 163 HB VAL 2 HB VAL 2 17.506 -5.383 -9.676 164 HG11 VAL 2 HG11 VAL 2 18.356 -7.420 -10.791 165 HG12 VAL 2 HG12 VAL 2 16.757 -8.173 -10.632 166 HG13 VAL 2 HG13 VAL 2 16.962 -6.719 -11.630 167 HG21 VAL 2 HG21 VAL 2 15.241 -5.441 -8.596 168 HG22 VAL 2 HG22 VAL 2 15.195 -5.509 -10.368 169 HG23 VAL 2 HG23 VAL 2 14.924 -6.986 -9.425 170 H ASN 3 H ASN 3 18.983 -4.905 -7.899 171 HA ASN 3 HA ASN 3 17.535 -3.786 -5.548 172 HB2 ASN 3 HB2 ASN 3 19.767 -3.136 -4.584 173 HB3 ASN 3 HB3 ASN 3 19.372 -4.848 -4.540 174 HD21 ASN 3 HD21 ASN 3 21.113 -2.517 -6.667 175 HD22 ASN 3 HD22 ASN 3 22.448 -3.629 -7.003 176 H GLN 4 H GLN 4 16.593 -2.875 -7.643 177 HA GLN 4 HA GLN 4 18.006 -0.387 -8.503 178 HB2 GLN 4 HB2 GLN 4 18.279 -2.492 -10.032 179 HB3 GLN 4 HB3 GLN 4 16.563 -2.298 -10.377 180 HG2 GLN 4 HG2 GLN 4 17.247 0.141 -11.122 181 HG3 GLN 4 HG3 GLN 4 18.889 -0.474 -11.076 182 HE21 GLN 4 HE21 GLN 4 15.666 -0.780 -12.595 183 HE22 GLN 4 HE22 GLN 4 16.259 -1.628 -14.032 184 H HIS 5 H HIS 5 16.556 1.148 -9.615 185 HA HIS 5 HA HIS 5 13.823 1.307 -8.541 186 HB2 HIS 5 HB2 HIS 5 15.333 2.944 -10.616 187 HB3 HIS 5 HB3 HIS 5 13.657 3.225 -10.159 188 HD1 HIS 5 HD1 HIS 5 13.617 5.339 -8.742 189 HD2 HIS 5 HD2 HIS 5 16.867 2.795 -7.910 190 HE1 HIS 5 HE1 HIS 5 14.998 6.491 -6.921 191 H LEU 6 H LEU 6 11.970 0.988 -9.707 192 HA LEU 6 HA LEU 6 12.023 -0.223 -12.426 193 HB2 LEU 6 HB2 LEU 6 10.669 -1.385 -9.953 194 HB3 LEU 6 HB3 LEU 6 10.393 -1.957 -11.597 195 HG LEU 6 HG LEU 6 13.124 -2.012 -10.263 196 HD11 LEU 6 HD11 LEU 6 10.961 -4.107 -10.298 197 HD12 LEU 6 HD12 LEU 6 11.705 -3.341 -8.889 198 HD13 LEU 6 HD13 LEU 6 12.658 -4.445 -9.882 199 HD21 LEU 6 HD21 LEU 6 12.006 -3.585 -12.623 200 HD22 LEU 6 HD22 LEU 6 13.640 -3.725 -11.943 201 HD23 LEU 6 HD23 LEU 6 13.160 -2.224 -12.741 202 H CYS 7 H CYS 7 10.727 1.101 -13.599 203 HA CYS 7 HA CYS 7 8.202 2.116 -12.383 204 HB2 CYS 7 HB2 CYS 7 10.183 3.741 -12.310 205 HB3 CYS 7 HB3 CYS 7 9.989 3.885 -14.052 206 H GLY 8 H GLY 8 6.523 2.634 -13.862 207 HA2 GLY 8 HA2 GLY 8 5.172 2.222 -15.701 208 HA3 GLY 8 HA3 GLY 8 6.620 2.402 -16.688 209 H SER 9 H SER 9 6.885 0.686 -18.008 210 HA SER 9 HA SER 9 5.645 -1.840 -17.766 211 HB2 SER 9 HB2 SER 9 8.193 -1.165 -19.267 212 HB3 SER 9 HB3 SER 9 7.097 -2.535 -19.563 213 HG SER 9 HG SER 9 6.707 -0.773 -20.999 214 H HIS 10 H HIS 10 8.783 -0.745 -16.475 215 HA HIS 10 HA HIS 10 9.812 -3.407 -15.935 216 HB2 HIS 10 HB2 HIS 10 10.535 -0.651 -14.851 217 HB3 HIS 10 HB3 HIS 10 11.371 -2.131 -14.412 218 HD1 HIS 10 HD1 HIS 10 13.225 -2.972 -16.031 219 HD2 HIS 10 HD2 HIS 10 10.784 0.111 -17.536 220 HE1 HIS 10 HE1 HIS 10 14.336 -2.176 -18.168 221 H LEU 11 H LEU 11 7.934 -1.028 -14.115 222 HA LEU 11 HA LEU 11 8.082 -2.266 -11.531 223 HB2 LEU 11 HB2 LEU 11 7.531 0.047 -11.896 224 HB3 LEU 11 HB3 LEU 11 6.106 -0.325 -12.832 225 HG LEU 11 HG LEU 11 6.272 -1.223 -9.942 226 HD11 LEU 11 HD11 LEU 11 6.902 1.186 -9.996 227 HD12 LEU 11 HD12 LEU 11 5.273 1.008 -9.348 228 HD13 LEU 11 HD13 LEU 11 5.494 1.539 -11.019 229 HD21 LEU 11 HD21 LEU 11 3.799 -0.736 -10.071 230 HD22 LEU 11 HD22 LEU 11 4.300 -2.009 -11.172 231 HD23 LEU 11 HD23 LEU 11 3.986 -0.374 -11.793 232 H VAL 12 H VAL 12 5.581 -2.448 -14.170 233 HA VAL 12 HA VAL 12 4.002 -4.370 -12.660 234 HB VAL 12 HB VAL 12 2.686 -4.663 -14.686 235 HG11 VAL 12 HG11 VAL 12 2.194 -2.873 -13.037 236 HG12 VAL 12 HG12 VAL 12 3.188 -1.738 -13.982 237 HG13 VAL 12 HG13 VAL 12 1.705 -2.422 -14.675 238 HG21 VAL 12 HG21 VAL 12 4.364 -4.287 -16.462 239 HG22 VAL 12 HG22 VAL 12 2.969 -3.219 -16.636 240 HG23 VAL 12 HG23 VAL 12 4.484 -2.582 -15.975 241 H GLU 13 H GLU 13 6.478 -4.755 -15.216 242 HA GLU 13 HA GLU 13 6.039 -7.573 -15.555 243 HB2 GLU 13 HB2 GLU 13 7.288 -6.161 -17.147 244 HB3 GLU 13 HB3 GLU 13 8.582 -5.939 -15.954 245 HG2 GLU 13 HG2 GLU 13 9.059 -8.355 -15.999 246 HG3 GLU 13 HG3 GLU 13 7.684 -8.641 -17.063 247 H ALA 14 H ALA 14 8.261 -5.761 -13.361 248 HA ALA 14 HA ALA 14 9.374 -8.100 -12.129 249 HB1 ALA 14 HB1 ALA 14 10.182 -6.456 -10.464 250 HB2 ALA 14 HB2 ALA 14 10.444 -5.894 -12.131 251 HB3 ALA 14 HB3 ALA 14 9.099 -5.230 -11.163 252 H LEU 15 H LEU 15 6.604 -5.967 -11.137 253 HA LEU 15 HA LEU 15 6.059 -7.479 -8.755 254 HB2 LEU 15 HB2 LEU 15 5.363 -5.194 -8.866 255 HB3 LEU 15 HB3 LEU 15 4.491 -5.457 -10.385 256 HG LEU 15 HG LEU 15 2.810 -6.731 -9.259 257 HD11 LEU 15 HD11 LEU 15 4.234 -7.765 -7.427 258 HD12 LEU 15 HD12 LEU 15 2.736 -7.069 -6.870 259 HD13 LEU 15 HD13 LEU 15 4.268 -6.181 -6.639 260 HD21 LEU 15 HD21 LEU 15 1.890 -4.918 -7.809 261 HD22 LEU 15 HD22 LEU 15 2.615 -4.255 -9.297 262 HD23 LEU 15 HD23 LEU 15 3.492 -4.160 -7.749 263 H TYR 16 H TYR 16 4.878 -7.867 -12.143 264 HA TYR 16 HA TYR 16 3.013 -9.979 -11.489 265 HB2 TYR 16 HB2 TYR 16 2.980 -8.659 -13.597 266 HB3 TYR 16 HB3 TYR 16 4.491 -9.403 -14.088 267 HD1 TYR 16 HD2 TYR 16 0.883 -9.958 -13.462 268 HD2 TYR 16 HD1 TYR 16 4.540 -11.687 -14.963 269 HE1 TYR 16 HE2 TYR 16 -0.425 -11.799 -14.526 270 HE2 TYR 16 HE1 TYR 16 3.234 -13.528 -16.020 271 HH TYR 16 HH TYR 16 -0.345 -13.678 -15.825 272 H LEU 17 H LEU 17 6.473 -10.011 -12.467 273 HA LEU 17 HA LEU 17 6.816 -12.834 -12.495 274 HB2 LEU 17 HB2 LEU 17 8.361 -11.230 -13.525 275 HB3 LEU 17 HB3 LEU 17 8.748 -10.548 -11.944 276 HG LEU 17 HG LEU 17 9.819 -12.690 -11.276 277 HD11 LEU 17 HD11 LEU 17 9.215 -13.533 -14.153 278 HD12 LEU 17 HD12 LEU 17 8.578 -14.296 -12.677 279 HD13 LEU 17 HD13 LEU 17 10.303 -14.389 -13.038 280 HD21 LEU 17 HD21 LEU 17 11.135 -10.885 -12.315 281 HD22 LEU 17 HD22 LEU 17 10.806 -11.554 -13.928 282 HD23 LEU 17 HD23 LEU 17 11.777 -12.476 -12.754 283 H VAL 18 H VAL 18 7.149 -10.476 -9.805 284 HA VAL 18 HA VAL 18 7.959 -12.537 -7.876 285 HB VAL 18 HB VAL 18 7.182 -9.618 -7.606 286 HG11 VAL 18 HG11 VAL 18 6.390 -10.505 -5.545 287 HG12 VAL 18 HG12 VAL 18 7.733 -11.657 -5.428 288 HG13 VAL 18 HG13 VAL 18 8.013 -9.928 -5.182 289 HG21 VAL 18 HG21 VAL 18 9.775 -11.160 -7.130 290 HG22 VAL 18 HG22 VAL 18 9.421 -10.127 -8.525 291 HG23 VAL 18 HG23 VAL 18 9.547 -9.414 -6.919 292 H CYS 19 H CYS 19 4.838 -10.924 -8.669 293 HA CYS 19 HA CYS 19 3.452 -12.336 -6.578 294 HB2 CYS 19 HB2 CYS 19 2.866 -10.124 -7.728 295 HB3 CYS 19 HB3 CYS 19 2.175 -11.097 -9.023 296 H GLY 20 H GLY 20 4.567 -13.278 -9.730 297 HA2 GLY 20 HA2 GLY 20 4.533 -15.295 -10.773 298 HA3 GLY 20 HA3 GLY 20 4.194 -15.997 -9.179 299 H GLU 21 H GLU 21 2.359 -13.914 -11.374 300 HA GLU 21 HA GLU 21 0.225 -13.758 -11.917 301 HB2 GLU 21 HB2 GLU 21 -0.719 -15.375 -13.297 302 HB3 GLU 21 HB3 GLU 21 1.015 -15.299 -13.573 303 HG2 GLU 21 HG2 GLU 21 1.379 -17.412 -12.469 304 HG3 GLU 21 HG3 GLU 21 -0.295 -17.473 -11.895 305 H ARG 22 H ARG 22 0.638 -14.530 -9.029 306 HA ARG 22 HA ARG 22 -1.962 -15.600 -8.193 307 HB2 ARG 22 HB2 ARG 22 0.047 -13.864 -6.699 308 HB3 ARG 22 HB3 ARG 22 -1.423 -14.483 -5.988 309 HG2 ARG 22 HG2 ARG 22 -0.738 -16.774 -6.240 310 HG3 ARG 22 HG3 ARG 22 0.699 -16.327 -7.158 311 HD2 ARG 22 HD2 ARG 22 0.209 -15.373 -4.311 312 HD3 ARG 22 HD3 ARG 22 1.028 -16.902 -4.680 313 HE ARG 22 HE ARG 22 2.316 -14.910 -6.195 314 HH11 ARG 22 HH11 ARG 22 2.000 -15.516 -2.714 315 HH12 ARG 22 HH12 ARG 22 3.586 -14.794 -2.433 316 HH21 ARG 22 HH21 ARG 22 4.436 -14.150 -5.584 317 HH22 ARG 22 HH22 ARG 22 4.760 -14.098 -3.860 318 H GLY 23 H GLY 23 -0.887 -12.484 -9.245 319 HA2 GLY 23 HA2 GLY 23 -2.266 -10.830 -10.195 320 HA3 GLY 23 HA3 GLY 23 -3.653 -11.412 -9.301 321 H PHE 24 H PHE 24 -2.046 -8.770 -9.635 322 HA PHE 24 HA PHE 24 -1.785 -8.016 -6.752 323 HB2 PHE 24 HB2 PHE 24 0.102 -6.675 -7.371 324 HB3 PHE 24 HB3 PHE 24 0.369 -8.309 -7.925 325 HD1 PHE 24 HD1 PHE 24 -0.327 -4.817 -8.968 326 HD2 PHE 24 HD2 PHE 24 0.463 -8.835 -10.336 327 HE1 PHE 24 HE1 PHE 24 0.200 -3.939 -11.228 328 HE2 PHE 24 HE2 PHE 24 0.988 -7.932 -12.600 329 HZ PHE 24 HZ PHE 24 0.863 -5.498 -13.045 330 H PHE 25 H PHE 25 -1.818 -5.743 -6.287 331 HA PHE 25 HA PHE 25 -3.588 -4.077 -8.026 332 HB2 PHE 25 HB2 PHE 25 -3.361 -4.018 -4.995 333 HB3 PHE 25 HB3 PHE 25 -4.337 -2.945 -5.979 334 HD1 PHE 25 HD1 PHE 25 -5.927 -4.426 -7.759 335 HD2 PHE 25 HD2 PHE 25 -4.606 -5.596 -3.819 336 HE1 PHE 25 HE1 PHE 25 -7.874 -5.962 -7.556 337 HE2 PHE 25 HE2 PHE 25 -6.564 -7.101 -3.615 338 HZ PHE 25 HZ PHE 25 -8.192 -7.299 -5.478 339 H TYR 26 H TYR 26 -2.861 -2.090 -8.536 340 HA TYR 26 HA TYR 26 -0.073 -1.410 -7.798 341 HB2 TYR 26 HB2 TYR 26 -0.234 0.035 -9.872 342 HB3 TYR 26 HB3 TYR 26 -0.276 -1.696 -10.081 343 HD1 TYR 26 HD2 TYR 26 -2.435 1.348 -10.026 344 HD2 TYR 26 HD1 TYR 26 -2.141 -2.828 -11.063 345 HE1 TYR 26 HE2 TYR 26 -4.587 1.508 -11.293 346 HE2 TYR 26 HE1 TYR 26 -4.280 -2.667 -12.324 347 HH TYR 26 HH TYR 26 -6.007 -1.298 -12.998 348 H THR 27 H THR 27 -2.471 -0.777 -6.095 349 HA THR 27 HA THR 27 -3.220 0.859 -4.735 350 HB THR 27 HB THR 27 -1.554 2.176 -3.596 351 HG1 THR 27 HG1 THR 27 -0.127 1.659 -5.914 352 HG21 THR 27 HG21 THR 27 -0.092 0.406 -2.844 353 HG22 THR 27 HG22 THR 27 -0.409 -0.554 -4.306 354 HG23 THR 27 HG23 THR 27 -1.706 -0.269 -3.123 355 H LYS 28 H LYS 28 -1.309 3.560 -5.480 356 HA LYS 28 HA LYS 28 -3.417 4.833 -7.165 357 HB2 LYS 28 HB2 LYS 28 -3.662 5.098 -4.585 358 HB3 LYS 28 HB3 LYS 28 -2.307 6.209 -4.698 359 HG2 LYS 28 HG2 LYS 28 -4.998 6.392 -6.117 360 HG3 LYS 28 HG3 LYS 28 -4.467 7.343 -4.722 361 HD2 LYS 28 HD2 LYS 28 -2.619 8.294 -6.198 362 HD3 LYS 28 HD3 LYS 28 -3.434 7.525 -7.582 363 HE2 LYS 28 HE2 LYS 28 -5.537 8.756 -6.987 364 HE3 LYS 28 HE3 LYS 28 -4.660 9.562 -5.673 365 HZ1 LYS 28 HZ1 LYS 28 -4.074 9.774 -8.575 366 HZ2 LYS 28 HZ2 LYS 28 -3.081 10.359 -7.451 367 HZ3 LYS 28 HZ3 LYS 28 -4.609 10.986 -7.598 368 HA PRO 29 HA PRO 29 0.845 5.380 -8.682 369 HB2 PRO 29 HB2 PRO 29 -0.556 5.618 -11.342 370 HB3 PRO 29 HB3 PRO 29 0.911 4.687 -10.923 371 HG2 PRO 29 HG2 PRO 29 -1.442 3.404 -11.191 372 HG3 PRO 29 HG3 PRO 29 -0.374 3.018 -9.802 373 HD2 PRO 29 HD2 PRO 29 -2.769 4.887 -9.860 374 HD3 PRO 29 HD3 PRO 29 -2.388 3.572 -8.707 375 H THR 30 H THR 30 -1.814 7.569 -9.463 376 HA THR 30 HA THR 30 -0.088 9.574 -10.713 377 HB THR 30 HB THR 30 -2.289 10.800 -11.023 378 HG1 THR 30 HG1 THR 30 -4.079 9.266 -10.898 379 HG21 THR 30 HG21 THR 30 -2.989 9.316 -12.842 380 HG22 THR 30 HG22 THR 30 -2.045 7.977 -12.158 381 HG23 THR 30 HG23 THR 30 -1.219 9.423 -12.782 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 0.594 5.072 -3.997 2 H2 GLY 1 H2 GLY 1 0.882 4.305 -2.581 3 H3 GLY 1 H3 GLY 1 -0.649 4.403 -3.162 4 HA2 GLY 1 HA2 GLY 1 0.262 2.172 -3.492 5 HA3 GLY 1 HA3 GLY 1 -0.141 2.982 -5.022 6 H ILE 2 H ILE 2 1.439 1.130 -5.594 7 HA ILE 2 HA ILE 2 4.131 1.280 -4.715 8 HB ILE 2 HB ILE 2 2.995 -0.761 -5.408 9 HG12 ILE 2 HG12 ILE 2 5.621 -0.172 -6.844 10 HG13 ILE 2 HG13 ILE 2 5.413 -0.634 -5.149 11 HG21 ILE 2 HG21 ILE 2 3.369 0.268 -8.254 12 HG22 ILE 2 HG22 ILE 2 2.787 -1.355 -7.779 13 HG23 ILE 2 HG23 ILE 2 1.835 0.083 -7.412 14 HD11 ILE 2 HD11 ILE 2 5.093 -2.271 -7.648 15 HD12 ILE 2 HD12 ILE 2 6.093 -2.544 -6.212 16 HD13 ILE 2 HD13 ILE 2 4.336 -2.769 -6.115 17 H VAL 3 H VAL 3 2.701 2.965 -7.435 18 HA VAL 3 HA VAL 3 5.121 3.531 -8.883 19 HB VAL 3 HB VAL 3 2.577 5.172 -8.566 20 HG11 VAL 3 HG11 VAL 3 3.249 6.209 -10.736 21 HG12 VAL 3 HG12 VAL 3 4.362 6.621 -9.436 22 HG13 VAL 3 HG13 VAL 3 4.819 5.379 -10.623 23 HG21 VAL 3 HG21 VAL 3 2.157 2.937 -9.549 24 HG22 VAL 3 HG22 VAL 3 1.996 4.190 -10.775 25 HG23 VAL 3 HG23 VAL 3 3.464 3.192 -10.717 26 H GLU 4 H GLU 4 3.860 4.795 -5.870 27 HA GLU 4 HA GLU 4 5.922 6.906 -5.610 28 HB2 GLU 4 HB2 GLU 4 3.737 5.995 -3.703 29 HB3 GLU 4 HB3 GLU 4 4.710 7.451 -3.535 30 HG2 GLU 4 HG2 GLU 4 3.665 8.516 -5.402 31 HG3 GLU 4 HG3 GLU 4 2.867 7.032 -5.927 32 H GLN 5 H GLN 5 6.252 3.750 -5.490 33 HA GLN 5 HA GLN 5 7.990 3.670 -3.052 34 HB2 GLN 5 HB2 GLN 5 6.344 1.397 -4.241 35 HB3 GLN 5 HB3 GLN 5 7.453 1.256 -2.897 36 HG2 GLN 5 HG2 GLN 5 5.026 3.102 -2.858 37 HG3 GLN 5 HG3 GLN 5 5.006 1.445 -2.316 38 HE21 GLN 5 HE21 GLN 5 4.233 2.961 -0.431 39 HE22 GLN 5 HE22 GLN 5 5.478 3.336 0.761 40 H CYS 6 H CYS 6 7.483 1.968 -6.194 41 HA CYS 6 HA CYS 6 10.364 1.285 -6.179 42 HB2 CYS 6 HB2 CYS 6 8.067 0.158 -7.807 43 HB3 CYS 6 HB3 CYS 6 9.714 -0.457 -7.743 44 H CYS 7 H CYS 7 8.307 3.426 -8.034 45 HA CYS 7 HA CYS 7 10.391 3.658 -10.134 46 HB2 CYS 7 HB2 CYS 7 8.047 3.737 -10.769 47 HB3 CYS 7 HB3 CYS 7 7.784 5.144 -9.744 48 H THR 8 H THR 8 9.152 5.451 -7.312 49 HA THR 8 HA THR 8 10.950 7.720 -7.596 50 HB THR 8 HB THR 8 9.981 8.296 -5.329 51 HG1 THR 8 HG1 THR 8 8.499 6.974 -4.471 52 HG21 THR 8 HG21 THR 8 7.726 8.751 -6.120 53 HG22 THR 8 HG22 THR 8 7.913 7.579 -7.449 54 HG23 THR 8 HG23 THR 8 8.888 9.063 -7.421 55 H SER 9 H SER 9 11.271 4.588 -6.090 56 HA SER 9 HA SER 9 13.975 5.257 -5.136 57 HB2 SER 9 HB2 SER 9 12.312 5.724 -3.248 58 HB3 SER 9 HB3 SER 9 12.003 3.976 -3.217 59 HG SER 9 HG SER 9 13.678 4.662 -1.751 60 H ILE 10 H ILE 10 14.939 3.130 -4.130 61 HA ILE 10 HA ILE 10 14.645 0.969 -6.102 62 HB ILE 10 HB ILE 10 16.426 1.297 -3.662 63 HG12 ILE 10 HG12 ILE 10 16.912 1.415 -6.668 64 HG13 ILE 10 HG13 ILE 10 16.973 2.758 -5.537 65 HG21 ILE 10 HG21 ILE 10 16.315 -1.032 -5.612 66 HG22 ILE 10 HG22 ILE 10 17.621 -0.751 -4.430 67 HG23 ILE 10 HG23 ILE 10 16.007 -1.082 -3.863 68 HD11 ILE 10 HD11 ILE 10 18.943 1.645 -4.406 69 HD12 ILE 10 HD12 ILE 10 18.960 0.468 -5.746 70 HD13 ILE 10 HD13 ILE 10 19.221 2.187 -6.073 71 H CYS 11 H CYS 11 13.851 -1.062 -5.795 72 HA CYS 11 HA CYS 11 12.382 -1.683 -3.273 73 HB2 CYS 11 HB2 CYS 11 11.449 -1.806 -6.130 74 HB3 CYS 11 HB3 CYS 11 10.841 -2.991 -4.978 75 H SER 12 H SER 12 11.824 -4.055 -3.196 76 HA SER 12 HA SER 12 13.693 -5.883 -4.539 77 HB2 SER 12 HB2 SER 12 14.658 -5.097 -2.223 78 HB3 SER 12 HB3 SER 12 13.377 -6.091 -1.524 79 HG SER 12 HG SER 12 15.257 -7.341 -1.822 80 H LEU 13 H LEU 13 13.071 -8.159 -4.005 81 HA LEU 13 HA LEU 13 10.484 -9.065 -4.394 82 HB2 LEU 13 HB2 LEU 13 12.424 -10.495 -4.493 83 HB3 LEU 13 HB3 LEU 13 12.864 -10.134 -2.822 84 HG LEU 13 HG LEU 13 10.894 -11.420 -2.018 85 HD11 LEU 13 HD11 LEU 13 9.682 -12.889 -3.577 86 HD12 LEU 13 HD12 LEU 13 10.576 -12.192 -4.950 87 HD13 LEU 13 HD13 LEU 13 9.441 -11.194 -4.007 88 HD21 LEU 13 HD21 LEU 13 12.731 -12.942 -3.916 89 HD22 LEU 13 HD22 LEU 13 11.794 -13.643 -2.578 90 HD23 LEU 13 HD23 LEU 13 13.094 -12.488 -2.230 91 H TYR 14 H TYR 14 12.055 -8.355 -1.272 92 HA TYR 14 HA TYR 14 9.896 -9.241 0.360 93 HB2 TYR 14 HB2 TYR 14 12.133 -7.336 1.114 94 HB3 TYR 14 HB3 TYR 14 11.205 -8.356 2.201 95 HD1 TYR 14 HD2 TYR 14 11.225 -10.982 1.525 96 HD2 TYR 14 HD1 TYR 14 14.263 -8.105 0.466 97 HE1 TYR 14 HE2 TYR 14 12.843 -12.836 1.128 98 HE2 TYR 14 HE1 TYR 14 15.880 -9.960 0.066 99 HH TYR 14 HH TYR 14 14.982 -13.399 0.514 100 H GLN 15 H GLN 15 10.210 -6.312 -1.370 101 HA GLN 15 HA GLN 15 8.007 -5.012 0.187 102 HB2 GLN 15 HB2 GLN 15 9.838 -3.905 -1.977 103 HB3 GLN 15 HB3 GLN 15 8.494 -3.028 -1.256 104 HG2 GLN 15 HG2 GLN 15 10.916 -4.053 0.286 105 HG3 GLN 15 HG3 GLN 15 10.708 -2.412 -0.301 106 HE21 GLN 15 HE21 GLN 15 11.185 -2.639 2.361 107 HE22 GLN 15 HE22 GLN 15 9.702 -2.328 3.256 108 H LEU 16 H LEU 16 8.936 -6.220 -3.038 109 HA LEU 16 HA LEU 16 6.596 -5.484 -4.428 110 HB2 LEU 16 HB2 LEU 16 8.698 -7.632 -4.788 111 HB3 LEU 16 HB3 LEU 16 7.397 -7.460 -5.950 112 HG LEU 16 HG LEU 16 9.255 -5.159 -5.229 113 HD11 LEU 16 HD11 LEU 16 9.418 -7.067 -7.595 114 HD12 LEU 16 HD12 LEU 16 10.543 -7.014 -6.222 115 HD13 LEU 16 HD13 LEU 16 10.429 -5.628 -7.316 116 HD21 LEU 16 HD21 LEU 16 8.457 -4.191 -7.343 117 HD22 LEU 16 HD22 LEU 16 7.067 -4.552 -6.306 118 HD23 LEU 16 HD23 LEU 16 7.465 -5.630 -7.655 119 H GLU 17 H GLU 17 7.144 -8.471 -2.492 120 HA GLU 17 HA GLU 17 4.690 -9.754 -3.130 121 HB2 GLU 17 HB2 GLU 17 6.391 -9.770 -0.603 122 HB3 GLU 17 HB3 GLU 17 4.965 -10.792 -0.819 123 HG2 GLU 17 HG2 GLU 17 5.959 -11.679 -2.927 124 HG3 GLU 17 HG3 GLU 17 7.446 -10.814 -2.563 125 H ASN 18 H ASN 18 5.055 -6.800 -1.306 126 HA ASN 18 HA ASN 18 2.618 -7.134 0.263 127 HB2 ASN 18 HB2 ASN 18 4.295 -4.651 -0.287 128 HB3 ASN 18 HB3 ASN 18 3.010 -4.778 0.897 129 HD21 ASN 18 HD21 ASN 18 5.878 -4.146 1.344 130 HD22 ASN 18 HD22 ASN 18 6.419 -5.373 2.476 131 H TYR 19 H TYR 19 3.066 -6.527 -3.031 132 HA TYR 19 HA TYR 19 0.550 -4.920 -3.229 133 HB2 TYR 19 HB2 TYR 19 2.840 -4.960 -5.179 134 HB3 TYR 19 HB3 TYR 19 1.448 -3.886 -5.195 135 HD1 TYR 19 HD2 TYR 19 1.114 -2.424 -2.995 136 HD2 TYR 19 HD1 TYR 19 4.828 -4.240 -4.202 137 HE1 TYR 19 HE2 TYR 19 2.347 -0.805 -1.574 138 HE2 TYR 19 HE1 TYR 19 6.073 -2.689 -2.697 139 HH TYR 19 HH TYR 19 4.387 -0.303 -0.624 140 H CYS 20 H CYS 20 1.200 -8.033 -3.460 141 HA CYS 20 HA CYS 20 -0.209 -8.648 -5.960 142 HB2 CYS 20 HB2 CYS 20 0.332 -10.496 -3.631 143 HB3 CYS 20 HB3 CYS 20 -0.050 -10.923 -5.298 144 H ASN 21 H ASN 21 -2.273 -9.782 -5.981 145 HA ASN 21 HA ASN 21 -4.348 -8.547 -4.419 146 HB2 ASN 21 HB2 ASN 21 -4.339 -10.930 -6.316 147 HB3 ASN 21 HB3 ASN 21 -5.795 -10.259 -5.601 148 HD21 ASN 21 HD21 ASN 21 -5.909 -10.373 -8.198 149 HD22 ASN 21 HD22 ASN 21 -5.693 -8.780 -8.902 150 H1 PHE 1 H1 PHE 1 16.917 -11.766 -5.246 151 H2 PHE 1 H2 PHE 1 17.559 -10.347 -4.718 152 H3 PHE 1 H3 PHE 1 18.219 -11.117 -6.007 153 HA PHE 1 HA PHE 1 16.273 -10.770 -7.330 154 HB2 PHE 1 HB2 PHE 1 14.761 -10.800 -5.261 155 HB3 PHE 1 HB3 PHE 1 15.175 -9.102 -5.039 156 HD1 PHE 1 HD1 PHE 1 13.593 -11.602 -7.315 157 HD2 PHE 1 HD2 PHE 1 14.105 -7.410 -6.423 158 HE1 PHE 1 HE1 PHE 1 11.827 -11.029 -8.967 159 HE2 PHE 1 HE2 PHE 1 12.393 -6.838 -8.120 160 HZ PHE 1 HZ PHE 1 11.234 -8.651 -9.380 161 H VAL 2 H VAL 2 15.834 -8.625 -8.466 162 HA VAL 2 HA VAL 2 18.277 -7.053 -8.552 163 HB VAL 2 HB VAL 2 17.093 -7.606 -10.569 164 HG11 VAL 2 HG11 VAL 2 14.842 -5.746 -9.680 165 HG12 VAL 2 HG12 VAL 2 15.016 -6.515 -11.267 166 HG13 VAL 2 HG13 VAL 2 14.739 -7.519 -9.844 167 HG21 VAL 2 HG21 VAL 2 18.508 -5.567 -10.489 168 HG22 VAL 2 HG22 VAL 2 17.202 -5.462 -11.679 169 HG23 VAL 2 HG23 VAL 2 17.056 -4.593 -10.138 170 H ASN 3 H ASN 3 18.740 -5.061 -7.767 171 HA ASN 3 HA ASN 3 16.630 -3.587 -6.236 172 HB2 ASN 3 HB2 ASN 3 19.506 -4.092 -5.381 173 HB3 ASN 3 HB3 ASN 3 18.343 -3.059 -4.549 174 HD21 ASN 3 HD21 ASN 3 16.006 -4.507 -4.464 175 HD22 ASN 3 HD22 ASN 3 16.296 -5.995 -3.585 176 H GLN 4 H GLN 4 16.249 -2.387 -8.008 177 HA GLN 4 HA GLN 4 17.965 -0.036 -8.425 178 HB2 GLN 4 HB2 GLN 4 16.944 -1.800 -10.714 179 HB3 GLN 4 HB3 GLN 4 17.626 -0.186 -10.901 180 HG2 GLN 4 HG2 GLN 4 19.773 -1.013 -9.872 181 HG3 GLN 4 HG3 GLN 4 19.111 -2.649 -9.927 182 HE21 GLN 4 HE21 GLN 4 18.483 -3.517 -12.130 183 HE22 GLN 4 HE22 GLN 4 19.390 -2.920 -13.515 184 H HIS 5 H HIS 5 16.582 1.556 -9.899 185 HA HIS 5 HA HIS 5 13.851 1.756 -8.831 186 HB2 HIS 5 HB2 HIS 5 15.403 3.364 -10.887 187 HB3 HIS 5 HB3 HIS 5 13.697 3.623 -10.563 188 HD1 HIS 5 HD1 HIS 5 13.367 5.633 -9.020 189 HD2 HIS 5 HD2 HIS 5 16.830 3.387 -8.199 190 HE1 HIS 5 HE1 HIS 5 14.591 6.847 -7.122 191 H LEU 6 H LEU 6 12.003 1.304 -9.868 192 HA LEU 6 HA LEU 6 12.018 -0.034 -12.542 193 HB2 LEU 6 HB2 LEU 6 10.613 -0.936 -10.001 194 HB3 LEU 6 HB3 LEU 6 10.404 -1.672 -11.580 195 HG LEU 6 HG LEU 6 13.062 -1.626 -10.089 196 HD11 LEU 6 HD11 LEU 6 10.950 -3.800 -10.238 197 HD12 LEU 6 HD12 LEU 6 11.410 -2.863 -8.799 198 HD13 LEU 6 HD13 LEU 6 12.569 -3.984 -9.527 199 HD21 LEU 6 HD21 LEU 6 12.136 -3.338 -12.434 200 HD22 LEU 6 HD22 LEU 6 13.707 -3.424 -11.611 201 HD23 LEU 6 HD23 LEU 6 13.281 -1.978 -12.535 202 H CYS 7 H CYS 7 10.954 1.422 -13.750 203 HA CYS 7 HA CYS 7 8.392 2.615 -12.746 204 HB2 CYS 7 HB2 CYS 7 10.373 3.621 -14.810 205 HB3 CYS 7 HB3 CYS 7 8.841 4.389 -14.424 206 H GLY 8 H GLY 8 6.567 2.430 -13.922 207 HA2 GLY 8 HA2 GLY 8 5.066 1.715 -15.537 208 HA3 GLY 8 HA3 GLY 8 6.339 2.103 -16.692 209 H SER 9 H SER 9 6.972 0.447 -17.965 210 HA SER 9 HA SER 9 5.976 -2.171 -17.879 211 HB2 SER 9 HB2 SER 9 8.559 -1.215 -19.151 212 HB3 SER 9 HB3 SER 9 7.632 -2.678 -19.563 213 HG SER 9 HG SER 9 7.166 -0.920 -20.986 214 H HIS 10 H HIS 10 8.983 -0.850 -16.469 215 HA HIS 10 HA HIS 10 10.138 -3.422 -15.793 216 HB2 HIS 10 HB2 HIS 10 10.658 -0.593 -14.780 217 HB3 HIS 10 HB3 HIS 10 11.571 -2.003 -14.274 218 HD1 HIS 10 HD1 HIS 10 13.535 -2.767 -15.804 219 HD2 HIS 10 HD2 HIS 10 10.963 0.122 -17.479 220 HE1 HIS 10 HE1 HIS 10 14.667 -1.954 -17.922 221 H LEU 11 H LEU 11 8.018 -1.114 -14.131 222 HA LEU 11 HA LEU 11 8.152 -2.328 -11.510 223 HB2 LEU 11 HB2 LEU 11 7.478 0.006 -11.998 224 HB3 LEU 11 HB3 LEU 11 6.007 -0.535 -12.771 225 HG LEU 11 HG LEU 11 6.583 -1.363 -9.914 226 HD11 LEU 11 HD11 LEU 11 5.447 0.678 -9.133 227 HD12 LEU 11 HD12 LEU 11 5.355 1.287 -10.807 228 HD13 LEU 11 HD13 LEU 11 6.928 1.084 -9.995 229 HD21 LEU 11 HD21 LEU 11 3.997 -0.726 -11.421 230 HD22 LEU 11 HD22 LEU 11 4.121 -1.268 -9.742 231 HD23 LEU 11 HD23 LEU 11 4.577 -2.358 -11.021 232 H VAL 12 H VAL 12 5.784 -2.584 -14.223 233 HA VAL 12 HA VAL 12 4.139 -4.448 -12.765 234 HB VAL 12 HB VAL 12 2.916 -4.809 -14.814 235 HG11 VAL 12 HG11 VAL 12 3.547 -1.852 -14.422 236 HG12 VAL 12 HG12 VAL 12 2.040 -2.548 -15.054 237 HG13 VAL 12 HG13 VAL 12 2.493 -2.808 -13.361 238 HG21 VAL 12 HG21 VAL 12 4.654 -4.720 -16.539 239 HG22 VAL 12 HG22 VAL 12 3.365 -3.557 -16.873 240 HG23 VAL 12 HG23 VAL 12 4.907 -2.997 -16.196 241 H GLU 13 H GLU 13 6.733 -4.965 -15.159 242 HA GLU 13 HA GLU 13 6.314 -7.799 -15.380 243 HB2 GLU 13 HB2 GLU 13 7.626 -6.434 -16.978 244 HB3 GLU 13 HB3 GLU 13 8.872 -6.182 -15.746 245 HG2 GLU 13 HG2 GLU 13 9.314 -8.620 -15.691 246 HG3 GLU 13 HG3 GLU 13 7.994 -8.902 -16.823 247 H ALA 14 H ALA 14 8.496 -5.908 -13.212 248 HA ALA 14 HA ALA 14 9.599 -8.165 -11.855 249 HB1 ALA 14 HB1 ALA 14 9.153 -5.283 -10.990 250 HB2 ALA 14 HB2 ALA 14 10.198 -6.456 -10.152 251 HB3 ALA 14 HB3 ALA 14 10.595 -5.929 -11.803 252 H LEU 15 H LEU 15 6.757 -6.078 -11.001 253 HA LEU 15 HA LEU 15 6.188 -7.500 -8.585 254 HB2 LEU 15 HB2 LEU 15 5.540 -5.201 -8.882 255 HB3 LEU 15 HB3 LEU 15 4.612 -5.588 -10.339 256 HG LEU 15 HG LEU 15 2.992 -6.808 -9.036 257 HD11 LEU 15 HD11 LEU 15 4.604 -5.974 -6.587 258 HD12 LEU 15 HD12 LEU 15 4.415 -7.638 -7.164 259 HD13 LEU 15 HD13 LEU 15 3.008 -6.769 -6.570 260 HD21 LEU 15 HD21 LEU 15 2.850 -4.284 -9.329 261 HD22 LEU 15 HD22 LEU 15 3.597 -4.108 -7.753 262 HD23 LEU 15 HD23 LEU 15 2.006 -4.869 -7.868 263 H TYR 16 H TYR 16 4.872 -7.885 -11.940 264 HA TYR 16 HA TYR 16 2.978 -9.932 -11.297 265 HB2 TYR 16 HB2 TYR 16 3.057 -8.616 -13.393 266 HB3 TYR 16 HB3 TYR 16 4.582 -9.367 -13.823 267 HD1 TYR 16 HD1 TYR 16 1.415 -10.955 -12.502 268 HD2 TYR 16 HD2 TYR 16 4.107 -10.446 -15.834 269 HE1 TYR 16 HE1 TYR 16 0.105 -12.618 -13.822 270 HE2 TYR 16 HE2 TYR 16 2.803 -12.122 -17.142 271 HH TYR 16 HH TYR 16 0.991 -13.506 -17.181 272 H LEU 17 H LEU 17 6.452 -10.128 -12.208 273 HA LEU 17 HA LEU 17 6.638 -12.990 -12.171 274 HB2 LEU 17 HB2 LEU 17 8.142 -11.516 -13.359 275 HB3 LEU 17 HB3 LEU 17 8.737 -10.807 -11.861 276 HG LEU 17 HG LEU 17 8.997 -13.802 -12.235 277 HD11 LEU 17 HD11 LEU 17 10.817 -11.730 -13.528 278 HD12 LEU 17 HD12 LEU 17 9.781 -12.890 -14.379 279 HD13 LEU 17 HD13 LEU 17 11.139 -13.481 -13.419 280 HD21 LEU 17 HD21 LEU 17 11.118 -13.439 -11.019 281 HD22 LEU 17 HD22 LEU 17 9.785 -12.732 -10.100 282 HD23 LEU 17 HD23 LEU 17 10.855 -11.682 -11.056 283 H VAL 18 H VAL 18 7.023 -10.541 -9.569 284 HA VAL 18 HA VAL 18 7.912 -12.484 -7.593 285 HB VAL 18 HB VAL 18 6.946 -9.622 -7.448 286 HG11 VAL 18 HG11 VAL 18 6.056 -10.484 -5.403 287 HG12 VAL 18 HG12 VAL 18 7.479 -11.513 -5.131 288 HG13 VAL 18 HG13 VAL 18 7.604 -9.752 -4.983 289 HG21 VAL 18 HG21 VAL 18 9.269 -10.091 -8.196 290 HG22 VAL 18 HG22 VAL 18 9.265 -9.295 -6.618 291 HG23 VAL 18 HG23 VAL 18 9.557 -11.040 -6.732 292 H CYS 19 H CYS 19 4.708 -11.100 -8.451 293 HA CYS 19 HA CYS 19 3.342 -12.578 -6.397 294 HB2 CYS 19 HB2 CYS 19 2.379 -11.251 -8.952 295 HB3 CYS 19 HB3 CYS 19 1.307 -11.880 -7.690 296 H GLY 20 H GLY 20 4.190 -13.365 -9.752 297 HA2 GLY 20 HA2 GLY 20 4.201 -15.336 -10.882 298 HA3 GLY 20 HA3 GLY 20 4.038 -16.183 -9.332 299 H GLU 21 H GLU 21 2.015 -14.117 -11.433 300 HA GLU 21 HA GLU 21 -0.078 -14.246 -12.230 301 HB2 GLU 21 HB2 GLU 21 0.131 -17.255 -12.003 302 HB3 GLU 21 HB3 GLU 21 -1.024 -16.337 -12.972 303 HG2 GLU 21 HG2 GLU 21 0.830 -15.368 -14.294 304 HG3 GLU 21 HG3 GLU 21 1.996 -16.319 -13.375 305 H ARG 22 H ARG 22 0.306 -14.336 -9.123 306 HA ARG 22 HA ARG 22 -2.352 -15.089 -8.193 307 HB2 ARG 22 HB2 ARG 22 0.036 -14.454 -6.928 308 HB3 ARG 22 HB3 ARG 22 -0.830 -12.943 -6.766 309 HG2 ARG 22 HG2 ARG 22 -1.493 -13.997 -4.856 310 HG3 ARG 22 HG3 ARG 22 -2.796 -14.545 -5.910 311 HD2 ARG 22 HD2 ARG 22 -0.282 -16.094 -5.109 312 HD3 ARG 22 HD3 ARG 22 -1.914 -16.372 -4.519 313 HE ARG 22 HE ARG 22 -2.547 -17.368 -6.562 314 HH11 ARG 22 HH21 ARG 22 0.854 -16.454 -6.733 315 HH12 ARG 22 HH22 ARG 22 1.066 -17.282 -8.246 316 HH21 ARG 22 HH11 ARG 22 -2.110 -18.506 -8.444 317 HH22 ARG 22 HH12 ARG 22 -0.487 -18.509 -9.079 318 H GLY 23 H GLY 23 -1.204 -12.415 -9.955 319 HA2 GLY 23 HA2 GLY 23 -2.405 -10.586 -10.844 320 HA3 GLY 23 HA3 GLY 23 -3.728 -10.873 -9.715 321 H PHE 24 H PHE 24 -2.267 -8.412 -10.330 322 HA PHE 24 HA PHE 24 -1.471 -7.522 -7.602 323 HB2 PHE 24 HB2 PHE 24 0.648 -6.686 -8.416 324 HB3 PHE 24 HB3 PHE 24 0.551 -8.409 -8.703 325 HD1 PHE 24 HD2 PHE 24 0.029 -9.264 -11.084 326 HD2 PHE 24 HD1 PHE 24 1.040 -5.171 -10.231 327 HE1 PHE 24 HE2 PHE 24 0.326 -8.823 -13.512 328 HE2 PHE 24 HE1 PHE 24 1.396 -4.747 -12.650 329 HZ PHE 24 HZ PHE 24 1.014 -6.570 -14.295 330 H PHE 25 H PHE 25 -1.989 -6.540 -10.997 331 HA PHE 25 HA PHE 25 -2.541 -4.648 -11.995 332 HB2 PHE 25 HB2 PHE 25 -4.635 -5.715 -10.682 333 HB3 PHE 25 HB3 PHE 25 -4.725 -4.091 -10.053 334 HD1 PHE 25 HD2 PHE 25 -3.732 -2.667 -12.733 335 HD2 PHE 25 HD1 PHE 25 -6.636 -5.766 -11.921 336 HE1 PHE 25 HE2 PHE 25 -4.894 -2.139 -14.844 337 HE2 PHE 25 HE1 PHE 25 -7.816 -5.199 -14.027 338 HZ PHE 25 HZ PHE 25 -6.927 -3.404 -15.509 339 H TYR 26 H TYR 26 -0.428 -4.104 -10.298 340 HA TYR 26 HA TYR 26 0.778 -2.440 -9.290 341 HB2 TYR 26 HB2 TYR 26 1.047 -0.507 -10.827 342 HB3 TYR 26 HB3 TYR 26 1.166 -2.092 -11.547 343 HD1 TYR 26 HD2 TYR 26 -1.174 0.820 -11.148 344 HD2 TYR 26 HD1 TYR 26 -0.195 -2.749 -13.374 345 HE1 TYR 26 HE2 TYR 26 -2.782 1.486 -12.923 346 HE2 TYR 26 HE1 TYR 26 -1.823 -2.090 -15.138 347 HH TYR 26 HH TYR 26 -3.672 0.981 -14.975 348 H THR 27 H THR 27 -1.567 -2.597 -7.815 349 HA THR 27 HA THR 27 -2.804 -1.574 -6.276 350 HB THR 27 HB THR 27 -1.956 0.239 -4.963 351 HG1 THR 27 HG1 THR 27 -0.462 0.727 -7.200 352 HG21 THR 27 HG21 THR 27 0.323 -1.612 -5.772 353 HG22 THR 27 HG22 THR 27 -0.979 -2.019 -4.628 354 HG23 THR 27 HG23 THR 27 0.157 -0.715 -4.248 355 H LYS 28 H LYS 28 -3.426 -0.892 -9.038 356 HA LYS 28 HA LYS 28 -4.553 1.694 -9.303 357 HB2 LYS 28 HB2 LYS 28 -4.264 -0.047 -11.087 358 HB3 LYS 28 HB3 LYS 28 -5.639 -0.930 -10.411 359 HG2 LYS 28 HG2 LYS 28 -7.074 1.116 -10.842 360 HG3 LYS 28 HG3 LYS 28 -5.656 1.910 -11.542 361 HD2 LYS 28 HD2 LYS 28 -6.904 1.066 -13.396 362 HD3 LYS 28 HD3 LYS 28 -5.521 0.000 -13.214 363 HE2 LYS 28 HE2 LYS 28 -7.361 -1.432 -13.612 364 HE3 LYS 28 HE3 LYS 28 -7.026 -1.580 -11.885 365 HZ1 LYS 28 HZ1 LYS 28 -9.156 -0.951 -11.530 366 HZ2 LYS 28 HZ2 LYS 28 -9.414 -0.732 -13.136 367 HZ3 LYS 28 HZ3 LYS 28 -8.878 0.492 -12.188 368 HA PRO 29 HA PRO 29 -7.632 1.273 -6.125 369 HB2 PRO 29 HB2 PRO 29 -8.792 3.727 -6.153 370 HB3 PRO 29 HB3 PRO 29 -7.075 3.490 -5.713 371 HG2 PRO 29 HG2 PRO 29 -8.204 4.298 -8.413 372 HG3 PRO 29 HG3 PRO 29 -6.880 5.074 -7.485 373 HD2 PRO 29 HD2 PRO 29 -6.385 3.255 -9.470 374 HD3 PRO 29 HD3 PRO 29 -5.370 3.362 -8.004 375 H THR 30 H THR 30 -8.689 1.835 -9.419 376 HA THR 30 HA THR 30 -11.546 1.689 -8.824 377 HB THR 30 HB THR 30 -11.729 1.840 -11.360 378 HG1 THR 30 HG1 THR 30 -9.772 2.722 -12.278 379 HG21 THR 30 HG21 THR 30 -11.964 3.775 -9.819 380 HG22 THR 30 HG22 THR 30 -11.219 4.228 -11.360 381 HG23 THR 30 HG23 THR 30 -10.216 4.052 -9.898 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 0.911 4.896 -3.226 2 H2 GLY 1 H2 GLY 1 0.741 3.605 -2.229 3 H3 GLY 1 H3 GLY 1 -0.572 4.219 -3.001 4 HA2 GLY 1 HA2 GLY 1 0.070 2.200 -4.064 5 HA3 GLY 1 HA3 GLY 1 0.327 3.593 -5.138 6 H ILE 2 H ILE 2 1.708 1.793 -6.116 7 HA ILE 2 HA ILE 2 4.328 1.437 -4.824 8 HB ILE 2 HB ILE 2 3.115 -0.488 -5.655 9 HG12 ILE 2 HG12 ILE 2 5.742 0.049 -7.111 10 HG13 ILE 2 HG13 ILE 2 5.562 -0.442 -5.421 11 HG21 ILE 2 HG21 ILE 2 3.543 0.681 -8.434 12 HG22 ILE 2 HG22 ILE 2 2.863 -0.920 -8.053 13 HG23 ILE 2 HG23 ILE 2 1.988 0.536 -7.601 14 HD11 ILE 2 HD11 ILE 2 6.123 -2.357 -6.509 15 HD12 ILE 2 HD12 ILE 2 4.349 -2.516 -6.438 16 HD13 ILE 2 HD13 ILE 2 5.148 -2.004 -7.948 17 H VAL 3 H VAL 3 3.110 3.390 -7.511 18 HA VAL 3 HA VAL 3 5.586 3.639 -8.923 19 HB VAL 3 HB VAL 3 3.276 5.607 -8.668 20 HG11 VAL 3 HG11 VAL 3 5.511 5.479 -10.743 21 HG12 VAL 3 HG12 VAL 3 4.083 6.533 -10.825 22 HG13 VAL 3 HG13 VAL 3 5.269 6.778 -9.545 23 HG21 VAL 3 HG21 VAL 3 2.589 4.681 -10.862 24 HG22 VAL 3 HG22 VAL 3 3.923 3.510 -10.786 25 HG23 VAL 3 HG23 VAL 3 2.588 3.427 -9.622 26 H GLU 4 H GLU 4 4.327 5.430 -6.142 27 HA GLU 4 HA GLU 4 6.669 7.118 -5.781 28 HB2 GLU 4 HB2 GLU 4 5.569 7.876 -3.799 29 HB3 GLU 4 HB3 GLU 4 4.348 7.700 -5.063 30 HG2 GLU 4 HG2 GLU 4 3.903 5.361 -4.078 31 HG3 GLU 4 HG3 GLU 4 4.875 5.857 -2.697 32 H GLN 5 H GLN 5 6.538 3.854 -5.512 33 HA GLN 5 HA GLN 5 8.552 3.726 -3.318 34 HB2 GLN 5 HB2 GLN 5 6.410 2.229 -3.223 35 HB3 GLN 5 HB3 GLN 5 7.149 1.296 -4.521 36 HG2 GLN 5 HG2 GLN 5 7.837 0.208 -2.550 37 HG3 GLN 5 HG3 GLN 5 9.250 1.143 -3.017 38 HE21 GLN 5 HE21 GLN 5 6.328 1.295 -0.865 39 HE22 GLN 5 HE22 GLN 5 7.148 2.258 0.365 40 H CYS 6 H CYS 6 7.802 2.256 -6.515 41 HA CYS 6 HA CYS 6 10.638 1.536 -6.805 42 HB2 CYS 6 HB2 CYS 6 8.233 0.765 -8.484 43 HB3 CYS 6 HB3 CYS 6 9.841 0.053 -8.532 44 H CYS 7 H CYS 7 8.543 3.944 -8.347 45 HA CYS 7 HA CYS 7 10.405 4.210 -10.612 46 HB2 CYS 7 HB2 CYS 7 7.877 4.668 -10.627 47 HB3 CYS 7 HB3 CYS 7 8.261 6.180 -9.808 48 H THR 8 H THR 8 9.674 5.963 -7.613 49 HA THR 8 HA THR 8 11.784 7.955 -8.071 50 HB THR 8 HB THR 8 9.492 8.435 -7.226 51 HG1 THR 8 HG1 THR 8 11.701 9.276 -5.670 52 HG21 THR 8 HG21 THR 8 8.951 8.214 -4.891 53 HG22 THR 8 HG22 THR 8 10.511 7.449 -4.531 54 HG23 THR 8 HG23 THR 8 9.316 6.610 -5.538 55 H SER 9 H SER 9 11.720 4.922 -6.512 56 HA SER 9 HA SER 9 14.433 5.350 -5.454 57 HB2 SER 9 HB2 SER 9 12.735 5.868 -3.596 58 HB3 SER 9 HB3 SER 9 12.340 4.143 -3.621 59 HG SER 9 HG SER 9 14.015 4.752 -2.090 60 H ILE 10 H ILE 10 15.189 3.153 -4.456 61 HA ILE 10 HA ILE 10 15.033 1.127 -6.539 62 HB ILE 10 HB ILE 10 16.439 1.277 -3.855 63 HG12 ILE 10 HG12 ILE 10 17.411 1.219 -6.749 64 HG13 ILE 10 HG13 ILE 10 17.301 2.649 -5.734 65 HG21 ILE 10 HG21 ILE 10 17.590 -0.866 -4.447 66 HG22 ILE 10 HG22 ILE 10 15.892 -1.063 -4.062 67 HG23 ILE 10 HG23 ILE 10 16.407 -1.084 -5.758 68 HD11 ILE 10 HD11 ILE 10 19.217 0.322 -5.369 69 HD12 ILE 10 HD12 ILE 10 19.584 1.998 -5.794 70 HD13 ILE 10 HD13 ILE 10 18.985 1.622 -4.169 71 H CYS 11 H CYS 11 14.089 -0.877 -6.520 72 HA CYS 11 HA CYS 11 12.437 -1.674 -4.187 73 HB2 CYS 11 HB2 CYS 11 11.576 -1.429 -7.057 74 HB3 CYS 11 HB3 CYS 11 10.958 -2.769 -6.097 75 H SER 12 H SER 12 12.031 -3.899 -4.049 76 HA SER 12 HA SER 12 13.674 -5.769 -5.581 77 HB2 SER 12 HB2 SER 12 15.119 -5.048 -3.646 78 HB3 SER 12 HB3 SER 12 13.870 -5.616 -2.531 79 HG SER 12 HG SER 12 15.659 -7.116 -3.062 80 H LEU 13 H LEU 13 13.132 -8.040 -4.708 81 HA LEU 13 HA LEU 13 10.490 -8.913 -4.782 82 HB2 LEU 13 HB2 LEU 13 12.375 -10.392 -4.935 83 HB3 LEU 13 HB3 LEU 13 13.032 -9.852 -3.392 84 HG LEU 13 HG LEU 13 11.206 -11.008 -2.189 85 HD11 LEU 13 HD11 LEU 13 9.796 -12.633 -3.370 86 HD12 LEU 13 HD12 LEU 13 10.476 -12.114 -4.929 87 HD13 LEU 13 HD13 LEU 13 9.495 -10.994 -3.963 88 HD21 LEU 13 HD21 LEU 13 13.366 -12.110 -2.595 89 HD22 LEU 13 HD22 LEU 13 12.759 -12.756 -4.139 90 HD23 LEU 13 HD23 LEU 13 12.035 -13.273 -2.595 91 H TYR 14 H TYR 14 12.356 -7.865 -1.926 92 HA TYR 14 HA TYR 14 10.327 -8.601 -0.030 93 HB2 TYR 14 HB2 TYR 14 12.686 -6.723 0.366 94 HB3 TYR 14 HB3 TYR 14 11.819 -7.617 1.612 95 HD1 TYR 14 HD2 TYR 14 11.772 -10.250 1.330 96 HD2 TYR 14 HD1 TYR 14 14.641 -7.659 -0.592 97 HE1 TYR 14 HE2 TYR 14 13.278 -12.193 0.965 98 HE2 TYR 14 HE1 TYR 14 16.143 -9.614 -0.973 99 HH TYR 14 HH TYR 14 15.274 -12.923 0.108 100 H GLN 15 H GLN 15 10.524 -5.873 -2.041 101 HA GLN 15 HA GLN 15 8.483 -4.375 -0.428 102 HB2 GLN 15 HB2 GLN 15 10.174 -3.527 -2.815 103 HB3 GLN 15 HB3 GLN 15 8.895 -2.550 -2.109 104 HG2 GLN 15 HG2 GLN 15 11.392 -3.481 -0.614 105 HG3 GLN 15 HG3 GLN 15 11.183 -1.908 -1.356 106 HE21 GLN 15 HE21 GLN 15 11.823 -1.989 1.322 107 HE22 GLN 15 HE22 GLN 15 10.420 -1.517 2.265 108 H LEU 16 H LEU 16 9.155 -5.823 -3.631 109 HA LEU 16 HA LEU 16 6.735 -5.159 -4.905 110 HB2 LEU 16 HB2 LEU 16 8.756 -7.392 -5.238 111 HB3 LEU 16 HB3 LEU 16 7.413 -7.221 -6.349 112 HG LEU 16 HG LEU 16 9.435 -4.995 -5.829 113 HD11 LEU 16 HD11 LEU 16 10.529 -6.984 -6.798 114 HD12 LEU 16 HD12 LEU 16 10.459 -5.645 -7.951 115 HD13 LEU 16 HD13 LEU 16 9.332 -7.017 -8.107 116 HD21 LEU 16 HD21 LEU 16 7.513 -5.389 -8.139 117 HD22 LEU 16 HD22 LEU 16 8.629 -4.032 -7.898 118 HD23 LEU 16 HD23 LEU 16 7.263 -4.255 -6.800 119 H GLU 17 H GLU 17 7.365 -7.997 -2.768 120 HA GLU 17 HA GLU 17 4.863 -9.281 -3.157 121 HB2 GLU 17 HB2 GLU 17 6.750 -9.104 -0.768 122 HB3 GLU 17 HB3 GLU 17 5.281 -10.104 -0.765 123 HG2 GLU 17 HG2 GLU 17 6.059 -11.184 -2.878 124 HG3 GLU 17 HG3 GLU 17 7.598 -10.362 -2.696 125 H ASN 18 H ASN 18 5.349 -6.204 -1.607 126 HA ASN 18 HA ASN 18 3.058 -6.449 0.180 127 HB2 ASN 18 HB2 ASN 18 4.742 -4.033 -0.603 128 HB3 ASN 18 HB3 ASN 18 3.575 -4.080 0.705 129 HD21 ASN 18 HD21 ASN 18 6.469 -3.498 0.889 130 HD22 ASN 18 HD22 ASN 18 7.100 -4.733 1.970 131 H TYR 19 H TYR 19 3.135 -6.051 -3.112 132 HA TYR 19 HA TYR 19 0.651 -4.348 -3.138 133 HB2 TYR 19 HB2 TYR 19 2.725 -4.559 -5.319 134 HB3 TYR 19 HB3 TYR 19 1.373 -3.455 -5.254 135 HD1 TYR 19 HD1 TYR 19 1.352 -1.645 -3.355 136 HD2 TYR 19 HD2 TYR 19 4.812 -4.002 -4.414 137 HE1 TYR 19 HE1 TYR 19 2.809 -0.098 -2.050 138 HE2 TYR 19 HE2 TYR 19 6.255 -2.453 -3.094 139 HH TYR 19 HH TYR 19 6.286 -0.763 -1.599 140 H CYS 20 H CYS 20 1.360 -7.519 -3.408 141 HA CYS 20 HA CYS 20 0.114 -8.222 -5.901 142 HB2 CYS 20 HB2 CYS 20 0.666 -9.939 -3.472 143 HB3 CYS 20 HB3 CYS 20 0.210 -10.513 -5.081 144 H ASN 21 H ASN 21 -1.717 -9.663 -6.140 145 HA ASN 21 HA ASN 21 -4.198 -8.644 -5.071 146 HB2 ASN 21 HB2 ASN 21 -3.932 -9.422 -7.386 147 HB3 ASN 21 HB3 ASN 21 -3.428 -11.019 -6.815 148 HD21 ASN 21 HD21 ASN 21 -5.034 -12.007 -8.066 149 HD22 ASN 21 HD22 ASN 21 -6.736 -11.934 -7.592 150 H1 PHE 1 H1 PHE 1 17.713 -10.813 -4.920 151 H2 PHE 1 H2 PHE 1 18.424 -11.423 -6.262 152 H3 PHE 1 H3 PHE 1 17.095 -12.149 -5.646 153 HA PHE 1 HA PHE 1 16.528 -10.906 -7.603 154 HB2 PHE 1 HB2 PHE 1 14.927 -11.179 -5.628 155 HB3 PHE 1 HB3 PHE 1 15.337 -9.540 -5.155 156 HD1 PHE 1 HD1 PHE 1 13.664 -11.680 -7.688 157 HD2 PHE 1 HD2 PHE 1 14.491 -7.639 -6.451 158 HE1 PHE 1 HE1 PHE 1 11.907 -10.850 -9.226 159 HE2 PHE 1 HE2 PHE 1 12.750 -6.802 -8.012 160 HZ PHE 1 HZ PHE 1 11.443 -8.417 -9.389 161 H VAL 2 H VAL 2 16.154 -8.674 -8.523 162 HA VAL 2 HA VAL 2 18.614 -7.168 -8.451 163 HB VAL 2 HB VAL 2 17.272 -7.515 -10.466 164 HG11 VAL 2 HG11 VAL 2 15.300 -6.129 -10.952 165 HG12 VAL 2 HG12 VAL 2 14.993 -7.264 -9.638 166 HG13 VAL 2 HG13 VAL 2 15.278 -5.544 -9.278 167 HG21 VAL 2 HG21 VAL 2 18.900 -5.638 -10.327 168 HG22 VAL 2 HG22 VAL 2 17.574 -5.385 -11.476 169 HG23 VAL 2 HG23 VAL 2 17.542 -4.547 -9.919 170 H ASN 3 H ASN 3 19.000 -4.998 -7.903 171 HA ASN 3 HA ASN 3 17.127 -3.718 -5.975 172 HB2 ASN 3 HB2 ASN 3 19.155 -3.104 -4.601 173 HB3 ASN 3 HB3 ASN 3 18.643 -4.781 -4.544 174 HD21 ASN 3 HD21 ASN 3 20.937 -2.722 -6.417 175 HD22 ASN 3 HD22 ASN 3 22.235 -3.922 -6.389 176 H GLN 4 H GLN 4 16.526 -2.660 -7.975 177 HA GLN 4 HA GLN 4 18.074 -0.186 -8.473 178 HB2 GLN 4 HB2 GLN 4 17.163 -2.109 -10.660 179 HB3 GLN 4 HB3 GLN 4 17.694 -0.450 -10.939 180 HG2 GLN 4 HG2 GLN 4 19.913 -1.030 -9.879 181 HG3 GLN 4 HG3 GLN 4 19.397 -2.721 -9.850 182 HE21 GLN 4 HE21 GLN 4 18.873 -3.745 -12.036 183 HE22 GLN 4 HE22 GLN 4 19.727 -3.112 -13.436 184 H HIS 5 H HIS 5 16.691 1.309 -9.956 185 HA HIS 5 HA HIS 5 13.954 1.557 -8.904 186 HB2 HIS 5 HB2 HIS 5 15.458 3.014 -11.115 187 HB3 HIS 5 HB3 HIS 5 13.783 3.330 -10.698 188 HD1 HIS 5 HD1 HIS 5 13.719 5.568 -9.473 189 HD2 HIS 5 HD2 HIS 5 16.962 3.112 -8.378 190 HE1 HIS 5 HE1 HIS 5 15.062 6.872 -7.732 191 H LEU 6 H LEU 6 12.080 1.141 -10.014 192 HA LEU 6 HA LEU 6 12.113 -0.248 -12.648 193 HB2 LEU 6 HB2 LEU 6 10.740 -1.307 -10.138 194 HB3 LEU 6 HB3 LEU 6 10.538 -1.958 -11.755 195 HG LEU 6 HG LEU 6 13.198 -1.949 -10.282 196 HD11 LEU 6 HD11 LEU 6 11.118 -4.137 -10.534 197 HD12 LEU 6 HD12 LEU 6 11.562 -3.274 -9.044 198 HD13 LEU 6 HD13 LEU 6 12.743 -4.330 -9.847 199 HD21 LEU 6 HD21 LEU 6 13.381 -2.191 -12.761 200 HD22 LEU 6 HD22 LEU 6 12.244 -3.559 -12.690 201 HD23 LEU 6 HD23 LEU 6 13.837 -3.669 -11.907 202 H CYS 7 H CYS 7 10.852 1.043 -13.854 203 HA CYS 7 HA CYS 7 8.311 2.109 -12.712 204 HB2 CYS 7 HB2 CYS 7 10.262 3.739 -12.712 205 HB3 CYS 7 HB3 CYS 7 10.153 3.742 -14.473 206 H GLY 8 H GLY 8 6.609 2.450 -14.195 207 HA2 GLY 8 HA2 GLY 8 5.281 1.929 -16.025 208 HA3 GLY 8 HA3 GLY 8 6.738 2.103 -17.009 209 H SER 9 H SER 9 7.036 0.330 -18.254 210 HA SER 9 HA SER 9 5.840 -2.202 -17.905 211 HB2 SER 9 HB2 SER 9 8.419 -1.601 -19.373 212 HB3 SER 9 HB3 SER 9 7.317 -2.961 -19.650 213 HG SER 9 HG SER 9 5.753 -1.504 -20.387 214 H HIS 10 H HIS 10 8.964 -1.004 -16.683 215 HA HIS 10 HA HIS 10 10.016 -3.614 -15.977 216 HB2 HIS 10 HB2 HIS 10 10.711 -0.794 -15.056 217 HB3 HIS 10 HB3 HIS 10 11.554 -2.228 -14.512 218 HD1 HIS 10 HD1 HIS 10 13.466 -3.126 -16.026 219 HD2 HIS 10 HD2 HIS 10 10.983 -0.217 -17.794 220 HE1 HIS 10 HE1 HIS 10 14.599 -2.456 -18.195 221 H LEU 11 H LEU 11 8.096 -1.159 -14.282 222 HA LEU 11 HA LEU 11 8.232 -2.308 -11.647 223 HB2 LEU 11 HB2 LEU 11 7.618 0.011 -12.179 224 HB3 LEU 11 HB3 LEU 11 6.136 -0.495 -12.954 225 HG LEU 11 HG LEU 11 6.684 -1.163 -10.049 226 HD11 LEU 11 HD11 LEU 11 5.338 1.359 -11.125 227 HD12 LEU 11 HD12 LEU 11 6.967 1.315 -10.421 228 HD13 LEU 11 HD13 LEU 11 5.574 0.922 -9.416 229 HD21 LEU 11 HD21 LEU 11 4.136 -0.789 -11.699 230 HD22 LEU 11 HD22 LEU 11 4.168 -0.997 -9.940 231 HD23 LEU 11 HD23 LEU 11 4.722 -2.301 -10.966 232 H VAL 12 H VAL 12 5.743 -2.536 -14.265 233 HA VAL 12 HA VAL 12 4.117 -4.303 -12.666 234 HB VAL 12 HB VAL 12 2.732 -4.607 -14.630 235 HG11 VAL 12 HG11 VAL 12 2.484 -2.619 -13.146 236 HG12 VAL 12 HG12 VAL 12 3.540 -1.691 -14.230 237 HG13 VAL 12 HG13 VAL 12 1.975 -2.285 -14.815 238 HG21 VAL 12 HG21 VAL 12 3.128 -3.329 -16.708 239 HG22 VAL 12 HG22 VAL 12 4.744 -2.900 -16.125 240 HG23 VAL 12 HG23 VAL 12 4.334 -4.598 -16.478 241 H GLU 13 H GLU 13 6.499 -4.954 -15.231 242 HA GLU 13 HA GLU 13 5.949 -7.768 -15.428 243 HB2 GLU 13 HB2 GLU 13 7.231 -6.413 -17.082 244 HB3 GLU 13 HB3 GLU 13 8.568 -6.296 -15.924 245 HG2 GLU 13 HG2 GLU 13 8.835 -8.749 -15.983 246 HG3 GLU 13 HG3 GLU 13 7.419 -8.904 -17.026 247 H ALA 14 H ALA 14 8.297 -5.966 -13.375 248 HA ALA 14 HA ALA 14 9.387 -8.283 -12.081 249 HB1 ALA 14 HB1 ALA 14 9.215 -5.364 -11.245 250 HB2 ALA 14 HB2 ALA 14 10.270 -6.599 -10.509 251 HB3 ALA 14 HB3 ALA 14 10.515 -6.102 -12.204 252 H LEU 15 H LEU 15 6.750 -6.002 -11.104 253 HA LEU 15 HA LEU 15 6.160 -7.253 -8.612 254 HB2 LEU 15 HB2 LEU 15 5.504 -4.985 -9.103 255 HB3 LEU 15 HB3 LEU 15 4.607 -5.496 -10.543 256 HG LEU 15 HG LEU 15 2.954 -6.598 -9.154 257 HD11 LEU 15 HD11 LEU 15 4.372 -7.195 -7.193 258 HD12 LEU 15 HD12 LEU 15 2.922 -6.323 -6.715 259 HD13 LEU 15 HD13 LEU 15 4.492 -5.475 -6.776 260 HD21 LEU 15 HD21 LEU 15 2.024 -4.505 -8.114 261 HD22 LEU 15 HD22 LEU 15 2.633 -4.246 -9.762 262 HD23 LEU 15 HD23 LEU 15 3.588 -3.722 -8.364 263 H TYR 16 H TYR 16 4.754 -7.820 -11.905 264 HA TYR 16 HA TYR 16 2.946 -9.891 -11.060 265 HB2 TYR 16 HB2 TYR 16 2.825 -8.542 -13.169 266 HB3 TYR 16 HB3 TYR 16 4.249 -9.380 -13.768 267 HD1 TYR 16 HD1 TYR 16 0.654 -9.650 -12.920 268 HD2 TYR 16 HD2 TYR 16 4.067 -11.690 -14.597 269 HE1 TYR 16 HE1 TYR 16 -0.846 -11.433 -13.825 270 HE2 TYR 16 HE2 TYR 16 2.576 -13.449 -15.513 271 HH TYR 16 HH TYR 16 0.408 -14.192 -15.733 272 H LEU 17 H LEU 17 6.358 -10.079 -12.163 273 HA LEU 17 HA LEU 17 6.511 -12.939 -12.115 274 HB2 LEU 17 HB2 LEU 17 8.019 -11.420 -13.288 275 HB3 LEU 17 HB3 LEU 17 8.656 -10.808 -11.771 276 HG LEU 17 HG LEU 17 10.044 -12.431 -13.091 277 HD11 LEU 17 HD11 LEU 17 10.469 -11.938 -10.698 278 HD12 LEU 17 HD12 LEU 17 11.016 -13.536 -11.217 279 HD13 LEU 17 HD13 LEU 17 9.542 -13.392 -10.255 280 HD21 LEU 17 HD21 LEU 17 9.684 -14.804 -12.956 281 HD22 LEU 17 HD22 LEU 17 8.272 -14.035 -13.700 282 HD23 LEU 17 HD23 LEU 17 8.204 -14.585 -12.006 283 H VAL 18 H VAL 18 6.948 -10.462 -9.559 284 HA VAL 18 HA VAL 18 7.844 -12.387 -7.547 285 HB VAL 18 HB VAL 18 7.061 -9.463 -7.504 286 HG11 VAL 18 HG11 VAL 18 6.213 -10.159 -5.387 287 HG12 VAL 18 HG12 VAL 18 7.588 -11.250 -5.114 288 HG13 VAL 18 HG13 VAL 18 7.814 -9.491 -5.076 289 HG21 VAL 18 HG21 VAL 18 9.412 -9.206 -6.836 290 HG22 VAL 18 HG22 VAL 18 9.626 -10.969 -6.816 291 HG23 VAL 18 HG23 VAL 18 9.313 -10.127 -8.340 292 H CYS 19 H CYS 19 4.678 -10.883 -8.342 293 HA CYS 19 HA CYS 19 3.261 -12.333 -6.292 294 HB2 CYS 19 HB2 CYS 19 2.288 -11.048 -8.863 295 HB3 CYS 19 HB3 CYS 19 1.263 -11.561 -7.518 296 H GLY 20 H GLY 20 4.518 -13.251 -9.378 297 HA2 GLY 20 HA2 GLY 20 4.585 -15.201 -10.506 298 HA3 GLY 20 HA3 GLY 20 4.183 -16.011 -8.974 299 H GLU 21 H GLU 21 2.541 -13.978 -11.400 300 HA GLU 21 HA GLU 21 0.596 -14.114 -12.510 301 HB2 GLU 21 HB2 GLU 21 0.616 -17.116 -12.162 302 HB3 GLU 21 HB3 GLU 21 -0.206 -16.168 -13.396 303 HG2 GLU 21 HG2 GLU 21 2.045 -15.384 -14.221 304 HG3 GLU 21 HG3 GLU 21 2.801 -16.509 -13.097 305 H ARG 22 H ARG 22 0.491 -14.350 -9.289 306 HA ARG 22 HA ARG 22 -2.387 -14.910 -8.952 307 HB2 ARG 22 HB2 ARG 22 -0.235 -13.692 -7.177 308 HB3 ARG 22 HB3 ARG 22 -1.910 -13.352 -6.846 309 HG2 ARG 22 HG2 ARG 22 -1.620 -15.106 -5.493 310 HG3 ARG 22 HG3 ARG 22 -2.355 -15.868 -6.891 311 HD2 ARG 22 HD2 ARG 22 0.622 -15.862 -6.211 312 HD3 ARG 22 HD3 ARG 22 -0.488 -17.164 -5.809 313 HE ARG 22 HE ARG 22 0.786 -16.672 -8.356 314 HH11 ARG 22 HH21 ARG 22 -2.111 -18.181 -7.047 315 HH12 ARG 22 HH22 ARG 22 -2.285 -19.202 -8.449 316 HH21 ARG 22 HH11 ARG 22 0.540 -17.980 -9.999 317 HH22 ARG 22 HH12 ARG 22 -0.800 -19.109 -10.100 318 H GLY 23 H GLY 23 -0.538 -12.248 -10.031 319 HA2 GLY 23 HA2 GLY 23 -1.284 -10.238 -11.056 320 HA3 GLY 23 HA3 GLY 23 -2.898 -10.477 -10.385 321 H PHE 24 H PHE 24 -2.116 -8.050 -10.109 322 HA PHE 24 HA PHE 24 -1.380 -7.657 -7.280 323 HB2 PHE 24 HB2 PHE 24 0.263 -5.985 -7.813 324 HB3 PHE 24 HB3 PHE 24 0.707 -7.524 -8.521 325 HD1 PHE 24 HD1 PHE 24 -0.617 -4.126 -9.244 326 HD2 PHE 24 HD2 PHE 24 0.955 -7.774 -10.929 327 HE1 PHE 24 HE1 PHE 24 -0.351 -2.989 -11.428 328 HE2 PHE 24 HE2 PHE 24 1.222 -6.629 -13.127 329 HZ PHE 24 HZ PHE 24 0.557 -4.248 -13.380 330 H PHE 25 H PHE 25 -1.742 -5.462 -6.527 331 HA PHE 25 HA PHE 25 -4.045 -4.076 -7.864 332 HB2 PHE 25 HB2 PHE 25 -4.852 -5.859 -6.336 333 HB3 PHE 25 HB3 PHE 25 -3.928 -5.162 -5.018 334 HD1 PHE 25 HD1 PHE 25 -6.746 -4.525 -7.395 335 HD2 PHE 25 HD2 PHE 25 -4.846 -3.352 -3.708 336 HE1 PHE 25 HE1 PHE 25 -8.705 -3.095 -6.835 337 HE2 PHE 25 HE2 PHE 25 -6.807 -1.932 -3.147 338 HZ PHE 25 HZ PHE 25 -8.740 -1.808 -4.711 339 H TYR 26 H TYR 26 -1.320 -3.881 -5.664 340 HA TYR 26 HA TYR 26 -0.517 -2.343 -4.295 341 HB2 TYR 26 HB2 TYR 26 0.139 -0.202 -5.191 342 HB3 TYR 26 HB3 TYR 26 0.527 -1.557 -6.221 343 HD1 TYR 26 HD1 TYR 26 -0.520 -1.900 -8.395 344 HD2 TYR 26 HD2 TYR 26 -1.361 1.599 -6.010 345 HE1 TYR 26 HE1 TYR 26 -1.433 -0.742 -10.399 346 HE2 TYR 26 HE2 TYR 26 -2.271 2.741 -8.008 347 HH TYR 26 HH TYR 26 -2.718 2.601 -10.253 348 H THR 27 H THR 27 -2.648 0.226 -5.421 349 HA THR 27 HA THR 27 -4.285 0.116 -2.979 350 HB THR 27 HB THR 27 -3.867 2.520 -2.446 351 HG1 THR 27 HG1 THR 27 -2.882 3.267 -4.277 352 HG21 THR 27 HG21 THR 27 -1.837 2.242 -1.191 353 HG22 THR 27 HG22 THR 27 -1.335 0.864 -2.200 354 HG23 THR 27 HG23 THR 27 -2.747 0.728 -1.129 355 H LYS 28 H LYS 28 -6.092 1.588 -3.040 356 HA LYS 28 HA LYS 28 -7.356 1.721 -5.609 357 HB2 LYS 28 HB2 LYS 28 -8.104 2.971 -2.935 358 HB3 LYS 28 HB3 LYS 28 -9.129 3.024 -4.367 359 HG2 LYS 28 HG2 LYS 28 -9.212 0.550 -4.450 360 HG3 LYS 28 HG3 LYS 28 -8.197 0.463 -2.999 361 HD2 LYS 28 HD2 LYS 28 -9.921 1.685 -1.703 362 HD3 LYS 28 HD3 LYS 28 -10.942 1.786 -3.153 363 HE2 LYS 28 HE2 LYS 28 -11.013 -0.696 -3.277 364 HE3 LYS 28 HE3 LYS 28 -9.995 -0.804 -1.840 365 HZ1 LYS 28 HZ1 LYS 28 -12.704 0.417 -1.918 366 HZ2 LYS 28 HZ2 LYS 28 -11.758 0.319 -0.583 367 HZ3 LYS 28 HZ3 LYS 28 -12.346 -1.038 -1.276 368 HA PRO 29 HA PRO 29 -6.084 5.685 -7.210 369 HB2 PRO 29 HB2 PRO 29 -8.968 6.049 -8.021 370 HB3 PRO 29 HB3 PRO 29 -7.483 6.266 -8.997 371 HG2 PRO 29 HG2 PRO 29 -8.973 4.022 -9.289 372 HG3 PRO 29 HG3 PRO 29 -7.184 3.896 -9.199 373 HD2 PRO 29 HD2 PRO 29 -9.207 3.446 -6.988 374 HD3 PRO 29 HD3 PRO 29 -7.809 2.446 -7.480 375 H THR 30 H THR 30 -6.192 7.932 -6.845 376 HA THR 30 HA THR 30 -7.385 8.809 -4.315 377 HB THR 30 HB THR 30 -6.191 10.971 -4.867 378 HG1 THR 30 HG1 THR 30 -6.071 10.543 -7.131 379 HG21 THR 30 HG21 THR 30 -5.224 9.240 -3.380 380 HG22 THR 30 HG22 THR 30 -3.975 10.074 -4.331 381 HG23 THR 30 HG23 THR 30 -4.494 8.434 -4.787 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 2.916 4.062 -1.743 2 H2 GLY 1 H2 GLY 1 3.328 2.704 -0.911 3 H3 GLY 1 H3 GLY 1 1.786 3.260 -0.884 4 HA2 GLY 1 HA2 GLY 1 1.797 1.395 -2.324 5 HA3 GLY 1 HA3 GLY 1 1.582 2.869 -3.284 6 H ILE 2 H ILE 2 2.374 0.801 -4.680 7 HA ILE 2 HA ILE 2 5.025 -0.048 -4.730 8 HB ILE 2 HB ILE 2 3.150 -1.143 -5.835 9 HG12 ILE 2 HG12 ILE 2 4.264 -1.734 -7.982 10 HG13 ILE 2 HG13 ILE 2 5.490 -0.498 -7.676 11 HG21 ILE 2 HG21 ILE 2 2.113 0.924 -6.855 12 HG22 ILE 2 HG22 ILE 2 3.442 0.934 -8.039 13 HG23 ILE 2 HG23 ILE 2 2.308 -0.423 -7.988 14 HD11 ILE 2 HD11 ILE 2 6.089 -1.848 -5.604 15 HD12 ILE 2 HD12 ILE 2 4.927 -3.069 -6.242 16 HD13 ILE 2 HD13 ILE 2 6.350 -2.631 -7.180 17 H VAL 3 H VAL 3 3.680 2.808 -6.417 18 HA VAL 3 HA VAL 3 6.007 3.353 -7.973 19 HB VAL 3 HB VAL 3 3.870 5.315 -7.030 20 HG11 VAL 3 HG11 VAL 3 5.671 5.383 -9.493 21 HG12 VAL 3 HG12 VAL 3 4.403 6.559 -9.090 22 HG13 VAL 3 HG13 VAL 3 5.834 6.440 -8.069 23 HG21 VAL 3 HG21 VAL 3 2.763 3.440 -8.167 24 HG22 VAL 3 HG22 VAL 3 2.792 4.831 -9.244 25 HG23 VAL 3 HG23 VAL 3 3.951 3.505 -9.487 26 H GLU 4 H GLU 4 5.067 4.288 -4.723 27 HA GLU 4 HA GLU 4 7.193 6.211 -4.249 28 HB2 GLU 4 HB2 GLU 4 5.308 4.833 -2.317 29 HB3 GLU 4 HB3 GLU 4 6.293 6.245 -1.967 30 HG2 GLU 4 HG2 GLU 4 5.028 7.613 -3.542 31 HG3 GLU 4 HG3 GLU 4 4.083 6.221 -4.077 32 H GLN 5 H GLN 5 7.365 2.928 -4.561 33 HA GLN 5 HA GLN 5 9.805 2.764 -2.818 34 HB2 GLN 5 HB2 GLN 5 7.750 0.613 -3.481 35 HB3 GLN 5 HB3 GLN 5 9.320 0.280 -2.745 36 HG2 GLN 5 HG2 GLN 5 7.165 2.053 -1.501 37 HG3 GLN 5 HG3 GLN 5 7.442 0.366 -1.117 38 HE21 GLN 5 HE21 GLN 5 8.912 3.643 -0.885 39 HE22 GLN 5 HE22 GLN 5 9.991 3.180 0.430 40 H CYS 6 H CYS 6 8.306 1.499 -5.840 41 HA CYS 6 HA CYS 6 10.934 0.574 -6.759 42 HB2 CYS 6 HB2 CYS 6 8.106 0.372 -7.850 43 HB3 CYS 6 HB3 CYS 6 9.518 -0.281 -8.656 44 H CYS 7 H CYS 7 8.711 3.235 -7.747 45 HA CYS 7 HA CYS 7 10.349 3.713 -10.153 46 HB2 CYS 7 HB2 CYS 7 7.864 3.965 -10.070 47 HB3 CYS 7 HB3 CYS 7 8.082 5.373 -9.031 48 H THR 8 H THR 8 9.648 5.487 -7.125 49 HA THR 8 HA THR 8 11.577 7.589 -7.710 50 HB THR 8 HB THR 8 9.372 7.845 -6.528 51 HG1 THR 8 HG1 THR 8 10.839 9.505 -6.473 52 HG21 THR 8 HG21 THR 8 10.885 6.895 -4.060 53 HG22 THR 8 HG22 THR 8 9.629 5.960 -4.900 54 HG23 THR 8 HG23 THR 8 9.228 7.516 -4.145 55 H SER 9 H SER 9 11.930 4.526 -6.206 56 HA SER 9 HA SER 9 14.695 5.114 -5.355 57 HB2 SER 9 HB2 SER 9 13.093 5.578 -3.413 58 HB3 SER 9 HB3 SER 9 12.744 3.836 -3.413 59 HG SER 9 HG SER 9 14.468 4.524 -1.968 60 H ILE 10 H ILE 10 15.409 2.845 -4.187 61 HA ILE 10 HA ILE 10 15.078 0.698 -6.212 62 HB ILE 10 HB ILE 10 16.823 0.985 -3.743 63 HG12 ILE 10 HG12 ILE 10 17.423 0.751 -6.727 64 HG13 ILE 10 HG13 ILE 10 17.507 2.224 -5.768 65 HG21 ILE 10 HG21 ILE 10 16.474 -1.456 -5.531 66 HG22 ILE 10 HG22 ILE 10 17.801 -1.243 -4.364 67 HG23 ILE 10 HG23 ILE 10 16.156 -1.359 -3.792 68 HD11 ILE 10 HD11 ILE 10 19.346 -0.187 -5.534 69 HD12 ILE 10 HD12 ILE 10 19.735 1.445 -6.092 70 HD13 ILE 10 HD13 ILE 10 19.324 1.180 -4.384 71 H CYS 11 H CYS 11 13.910 -1.137 -5.912 72 HA CYS 11 HA CYS 11 12.718 -1.679 -3.251 73 HB2 CYS 11 HB2 CYS 11 10.595 -2.186 -4.115 74 HB3 CYS 11 HB3 CYS 11 11.038 -0.608 -4.732 75 H SER 12 H SER 12 11.850 -3.954 -3.151 76 HA SER 12 HA SER 12 13.481 -5.925 -4.646 77 HB2 SER 12 HB2 SER 12 14.730 -5.160 -2.564 78 HB3 SER 12 HB3 SER 12 13.409 -5.840 -1.598 79 HG SER 12 HG SER 12 15.260 -7.262 -1.995 80 H LEU 13 H LEU 13 12.906 -8.140 -3.882 81 HA LEU 13 HA LEU 13 10.313 -9.067 -4.209 82 HB2 LEU 13 HB2 LEU 13 12.338 -10.435 -4.238 83 HB3 LEU 13 HB3 LEU 13 12.684 -10.039 -2.555 84 HG LEU 13 HG LEU 13 10.659 -11.330 -1.845 85 HD11 LEU 13 HD11 LEU 13 10.588 -12.184 -4.775 86 HD12 LEU 13 HD12 LEU 13 9.371 -11.180 -3.946 87 HD13 LEU 13 HD13 LEU 13 9.606 -12.862 -3.458 88 HD21 LEU 13 HD21 LEU 13 12.892 -12.349 -1.858 89 HD22 LEU 13 HD22 LEU 13 12.662 -12.864 -3.548 90 HD23 LEU 13 HD23 LEU 13 11.644 -13.539 -2.258 91 H TYR 14 H TYR 14 11.925 -8.091 -1.183 92 HA TYR 14 HA TYR 14 9.807 -8.918 0.562 93 HB2 TYR 14 HB2 TYR 14 12.054 -6.952 1.119 94 HB3 TYR 14 HB3 TYR 14 11.139 -7.873 2.309 95 HD1 TYR 14 HD1 TYR 14 11.188 -10.521 2.012 96 HD2 TYR 14 HD2 TYR 14 14.107 -7.816 0.324 97 HE1 TYR 14 HE1 TYR 14 12.784 -12.406 1.744 98 HE2 TYR 14 HE2 TYR 14 15.701 -9.715 0.057 99 HH TYR 14 HH TYR 14 14.860 -13.063 1.023 100 H GLN 15 H GLN 15 10.042 -6.118 -1.377 101 HA GLN 15 HA GLN 15 7.810 -4.792 0.120 102 HB2 GLN 15 HB2 GLN 15 9.621 -3.728 -2.070 103 HB3 GLN 15 HB3 GLN 15 8.266 -2.846 -1.367 104 HG2 GLN 15 HG2 GLN 15 10.731 -3.784 0.169 105 HG3 GLN 15 HG3 GLN 15 10.463 -2.163 -0.444 106 HE21 GLN 15 HE21 GLN 15 10.993 -2.413 2.234 107 HE22 GLN 15 HE22 GLN 15 9.522 -2.121 3.157 108 H LEU 16 H LEU 16 8.791 -6.095 -3.053 109 HA LEU 16 HA LEU 16 6.441 -5.491 -4.488 110 HB2 LEU 16 HB2 LEU 16 8.569 -7.636 -4.727 111 HB3 LEU 16 HB3 LEU 16 7.272 -7.500 -5.911 112 HG LEU 16 HG LEU 16 9.127 -5.177 -5.269 113 HD11 LEU 16 HD11 LEU 16 10.362 -5.727 -7.280 114 HD12 LEU 16 HD12 LEU 16 9.358 -7.163 -7.567 115 HD13 LEU 16 HD13 LEU 16 10.439 -7.099 -6.159 116 HD21 LEU 16 HD21 LEU 16 6.973 -4.637 -6.394 117 HD22 LEU 16 HD22 LEU 16 7.355 -5.802 -7.668 118 HD23 LEU 16 HD23 LEU 16 8.360 -4.359 -7.457 119 H GLU 17 H GLU 17 7.089 -8.428 -2.484 120 HA GLU 17 HA GLU 17 4.654 -9.759 -3.093 121 HB2 GLU 17 HB2 GLU 17 6.422 -9.772 -0.616 122 HB3 GLU 17 HB3 GLU 17 5.009 -10.825 -0.802 123 HG2 GLU 17 HG2 GLU 17 5.976 -11.654 -2.962 124 HG3 GLU 17 HG3 GLU 17 7.457 -10.786 -2.592 125 H ASN 18 H ASN 18 5.012 -6.842 -1.214 126 HA ASN 18 HA ASN 18 2.629 -7.265 0.427 127 HB2 ASN 18 HB2 ASN 18 4.198 -4.715 -0.116 128 HB3 ASN 18 HB3 ASN 18 3.001 -4.947 1.139 129 HD21 ASN 18 HD21 ASN 18 5.848 -4.190 1.456 130 HD22 ASN 18 HD22 ASN 18 6.537 -5.463 2.445 131 H TYR 19 H TYR 19 2.979 -6.566 -2.844 132 HA TYR 19 HA TYR 19 0.416 -5.017 -2.974 133 HB2 TYR 19 HB2 TYR 19 2.644 -5.156 -5.003 134 HB3 TYR 19 HB3 TYR 19 1.266 -4.079 -5.051 135 HD1 TYR 19 HD1 TYR 19 1.010 -2.694 -2.622 136 HD2 TYR 19 HD2 TYR 19 4.618 -4.120 -4.488 137 HE1 TYR 19 HE1 TYR 19 2.333 -1.009 -1.349 138 HE2 TYR 19 HE2 TYR 19 5.945 -2.408 -3.256 139 HH TYR 19 HH TYR 19 4.419 -0.179 -0.891 140 H CYS 20 H CYS 20 1.335 -8.182 -3.329 141 HA CYS 20 HA CYS 20 0.087 -8.798 -5.853 142 HB2 CYS 20 HB2 CYS 20 0.750 -10.647 -3.554 143 HB3 CYS 20 HB3 CYS 20 0.330 -11.106 -5.211 144 H ASN 21 H ASN 21 -1.714 -10.173 -6.187 145 HA ASN 21 HA ASN 21 -4.195 -9.414 -4.913 146 HB2 ASN 21 HB2 ASN 21 -3.986 -9.937 -7.315 147 HB3 ASN 21 HB3 ASN 21 -3.386 -11.553 -6.919 148 HD21 ASN 21 HD21 ASN 21 -4.965 -12.514 -8.187 149 HD22 ASN 21 HD22 ASN 21 -6.659 -12.573 -7.682 150 H1 PHE 1 H1 PHE 1 17.858 -10.206 -5.092 151 H2 PHE 1 H2 PHE 1 16.422 -10.505 -4.360 152 H3 PHE 1 H3 PHE 1 17.154 -9.050 -4.171 153 HA PHE 1 HA PHE 1 16.073 -10.121 -6.684 154 HB2 PHE 1 HB2 PHE 1 14.468 -9.256 -4.801 155 HB3 PHE 1 HB3 PHE 1 15.036 -7.656 -5.264 156 HD1 PHE 1 HD2 PHE 1 13.676 -10.846 -6.767 157 HD2 PHE 1 HD1 PHE 1 13.763 -6.527 -6.936 158 HE1 PHE 1 HE2 PHE 1 12.033 -10.878 -8.625 159 HE2 PHE 1 HE1 PHE 1 12.146 -6.582 -8.818 160 HZ PHE 1 HZ PHE 1 11.285 -8.753 -9.661 161 H VAL 2 H VAL 2 15.676 -7.772 -8.067 162 HA VAL 2 HA VAL 2 18.205 -7.471 -9.207 163 HB VAL 2 HB VAL 2 15.993 -7.214 -10.302 164 HG11 VAL 2 HG11 VAL 2 14.915 -5.032 -10.436 165 HG12 VAL 2 HG12 VAL 2 14.913 -5.611 -8.765 166 HG13 VAL 2 HG13 VAL 2 16.048 -4.350 -9.271 167 HG21 VAL 2 HG21 VAL 2 18.074 -6.635 -11.464 168 HG22 VAL 2 HG22 VAL 2 16.688 -5.682 -12.013 169 HG23 VAL 2 HG23 VAL 2 17.897 -4.940 -10.946 170 H ASN 3 H ASN 3 16.957 -5.477 -6.602 171 HA ASN 3 HA ASN 3 17.706 -3.655 -5.531 172 HB2 ASN 3 HB2 ASN 3 19.475 -5.418 -5.100 173 HB3 ASN 3 HB3 ASN 3 20.485 -4.612 -6.302 174 HD21 ASN 3 HD21 ASN 3 18.650 -4.007 -3.260 175 HD22 ASN 3 HD22 ASN 3 19.773 -2.797 -2.677 176 H GLN 4 H GLN 4 16.643 -2.790 -7.676 177 HA GLN 4 HA GLN 4 18.241 -0.542 -8.745 178 HB2 GLN 4 HB2 GLN 4 18.519 -2.686 -10.151 179 HB3 GLN 4 HB3 GLN 4 16.796 -2.559 -10.513 180 HG2 GLN 4 HG2 GLN 4 17.321 -0.262 -11.541 181 HG3 GLN 4 HG3 GLN 4 19.027 -0.643 -11.301 182 HE21 GLN 4 HE21 GLN 4 15.991 -1.770 -12.880 183 HE22 GLN 4 HE22 GLN 4 16.818 -2.676 -14.144 184 H HIS 5 H HIS 5 16.802 0.986 -9.976 185 HA HIS 5 HA HIS 5 14.090 1.270 -8.881 186 HB2 HIS 5 HB2 HIS 5 15.612 2.711 -11.087 187 HB3 HIS 5 HB3 HIS 5 13.931 3.052 -10.680 188 HD1 HIS 5 HD1 HIS 5 13.801 5.198 -9.290 189 HD2 HIS 5 HD2 HIS 5 17.175 2.816 -8.464 190 HE1 HIS 5 HE1 HIS 5 15.196 6.486 -7.580 191 H LEU 6 H LEU 6 12.201 0.982 -9.988 192 HA LEU 6 HA LEU 6 12.101 -0.323 -12.656 193 HB2 LEU 6 HB2 LEU 6 10.801 -1.408 -10.124 194 HB3 LEU 6 HB3 LEU 6 10.473 -1.999 -11.746 195 HG LEU 6 HG LEU 6 13.207 -2.154 -10.414 196 HD11 LEU 6 HD11 LEU 6 10.946 -4.158 -10.549 197 HD12 LEU 6 HD12 LEU 6 11.644 -3.419 -9.097 198 HD13 LEU 6 HD13 LEU 6 12.611 -4.548 -10.055 199 HD21 LEU 6 HD21 LEU 6 13.677 -3.848 -12.124 200 HD22 LEU 6 HD22 LEU 6 13.226 -2.337 -12.914 201 HD23 LEU 6 HD23 LEU 6 12.046 -3.670 -12.796 202 H CYS 7 H CYS 7 10.779 1.044 -13.774 203 HA CYS 7 HA CYS 7 8.256 1.944 -12.501 204 HB2 CYS 7 HB2 CYS 7 10.166 3.672 -12.395 205 HB3 CYS 7 HB3 CYS 7 9.913 3.870 -14.127 206 H GLY 8 H GLY 8 6.559 2.504 -13.973 207 HA2 GLY 8 HA2 GLY 8 5.222 2.090 -15.833 208 HA3 GLY 8 HA3 GLY 8 6.678 2.223 -16.809 209 H SER 9 H SER 9 6.874 0.464 -18.098 210 HA SER 9 HA SER 9 5.593 -2.030 -17.757 211 HB2 SER 9 HB2 SER 9 8.119 -1.456 -19.330 212 HB3 SER 9 HB3 SER 9 6.995 -2.816 -19.558 213 HG SER 9 HG SER 9 6.595 -1.102 -21.041 214 H HIS 10 H HIS 10 8.770 -0.957 -16.564 215 HA HIS 10 HA HIS 10 9.810 -3.607 -16.005 216 HB2 HIS 10 HB2 HIS 10 10.539 -0.832 -14.992 217 HB3 HIS 10 HB3 HIS 10 11.393 -2.292 -14.544 218 HD1 HIS 10 HD1 HIS 10 13.192 -3.191 -16.213 219 HD2 HIS 10 HD2 HIS 10 10.749 -0.091 -17.677 220 HE1 HIS 10 HE1 HIS 10 14.257 -2.421 -18.379 221 H LEU 11 H LEU 11 7.977 -1.196 -14.158 222 HA LEU 11 HA LEU 11 8.167 -2.409 -11.568 223 HB2 LEU 11 HB2 LEU 11 7.661 -0.102 -11.954 224 HB3 LEU 11 HB3 LEU 11 6.210 -0.447 -12.856 225 HG LEU 11 HG LEU 11 6.427 -1.262 -9.948 226 HD11 LEU 11 HD11 LEU 11 5.609 1.456 -11.098 227 HD12 LEU 11 HD12 LEU 11 7.034 1.132 -10.083 228 HD13 LEU 11 HD13 LEU 11 5.409 0.967 -9.406 229 HD21 LEU 11 HD21 LEU 11 3.935 -0.766 -10.063 230 HD22 LEU 11 HD22 LEU 11 4.431 -2.118 -11.061 231 HD23 LEU 11 HD23 LEU 11 4.110 -0.538 -11.807 232 H VAL 12 H VAL 12 5.625 -2.601 -14.134 233 HA VAL 12 HA VAL 12 4.012 -4.413 -12.547 234 HB VAL 12 HB VAL 12 2.632 -4.693 -14.549 235 HG11 VAL 12 HG11 VAL 12 1.777 -2.406 -14.578 236 HG12 VAL 12 HG12 VAL 12 2.296 -2.827 -12.938 237 HG13 VAL 12 HG13 VAL 12 3.318 -1.785 -13.951 238 HG21 VAL 12 HG21 VAL 12 2.964 -3.318 -16.541 239 HG22 VAL 12 HG22 VAL 12 4.526 -2.755 -15.923 240 HG23 VAL 12 HG23 VAL 12 4.296 -4.465 -16.365 241 H GLU 13 H GLU 13 6.396 -4.969 -15.150 242 HA GLU 13 HA GLU 13 5.860 -7.772 -15.441 243 HB2 GLU 13 HB2 GLU 13 7.136 -6.330 -17.048 244 HB3 GLU 13 HB3 GLU 13 8.462 -6.249 -15.878 245 HG2 GLU 13 HG2 GLU 13 9.100 -7.870 -17.451 246 HG3 GLU 13 HG3 GLU 13 8.607 -8.800 -16.039 247 H ALA 14 H ALA 14 8.220 -6.003 -13.361 248 HA ALA 14 HA ALA 14 9.341 -8.348 -12.146 249 HB1 ALA 14 HB1 ALA 14 10.206 -6.699 -10.509 250 HB2 ALA 14 HB2 ALA 14 10.469 -6.171 -12.188 251 HB3 ALA 14 HB3 ALA 14 9.155 -5.455 -11.222 252 H LEU 15 H LEU 15 6.643 -6.160 -11.121 253 HA LEU 15 HA LEU 15 6.165 -7.486 -8.644 254 HB2 LEU 15 HB2 LEU 15 5.474 -5.200 -9.094 255 HB3 LEU 15 HB3 LEU 15 4.483 -5.723 -10.460 256 HG LEU 15 HG LEU 15 2.944 -6.835 -9.002 257 HD11 LEU 15 HD11 LEU 15 4.487 -7.537 -7.153 258 HD12 LEU 15 HD12 LEU 15 3.065 -6.688 -6.560 259 HD13 LEU 15 HD13 LEU 15 4.627 -5.837 -6.658 260 HD21 LEU 15 HD21 LEU 15 2.049 -4.829 -7.827 261 HD22 LEU 15 HD22 LEU 15 2.632 -4.434 -9.455 262 HD23 LEU 15 HD23 LEU 15 3.613 -4.022 -8.037 263 H TYR 16 H TYR 16 4.693 -7.971 -11.909 264 HA TYR 16 HA TYR 16 2.947 -10.112 -11.127 265 HB2 TYR 16 HB2 TYR 16 2.867 -8.705 -13.213 266 HB3 TYR 16 HB3 TYR 16 4.264 -9.577 -13.823 267 HD1 TYR 16 HD1 TYR 16 0.667 -9.777 -12.932 268 HD2 TYR 16 HD2 TYR 16 4.018 -11.870 -14.671 269 HE1 TYR 16 HE1 TYR 16 -0.886 -11.480 -13.876 270 HE2 TYR 16 HE2 TYR 16 2.463 -13.577 -15.600 271 HH TYR 16 HH TYR 16 -1.098 -13.369 -15.144 272 H LEU 17 H LEU 17 6.363 -10.161 -12.217 273 HA LEU 17 HA LEU 17 6.648 -13.008 -12.203 274 HB2 LEU 17 HB2 LEU 17 8.163 -11.446 -13.337 275 HB3 LEU 17 HB3 LEU 17 8.664 -10.768 -11.785 276 HG LEU 17 HG LEU 17 9.686 -12.948 -11.152 277 HD11 LEU 17 HD11 LEU 17 8.316 -14.513 -12.481 278 HD12 LEU 17 HD12 LEU 17 10.016 -14.676 -12.907 279 HD13 LEU 17 HD13 LEU 17 8.923 -13.785 -13.987 280 HD21 LEU 17 HD21 LEU 17 10.591 -11.882 -13.855 281 HD22 LEU 17 HD22 LEU 17 11.572 -12.828 -12.709 282 HD23 LEU 17 HD23 LEU 17 11.017 -11.203 -12.271 283 H VAL 18 H VAL 18 6.944 -10.589 -9.584 284 HA VAL 18 HA VAL 18 7.904 -12.529 -7.615 285 HB VAL 18 HB VAL 18 6.991 -9.646 -7.493 286 HG11 VAL 18 HG11 VAL 18 7.467 -11.509 -5.149 287 HG12 VAL 18 HG12 VAL 18 7.637 -9.757 -5.018 288 HG13 VAL 18 HG13 VAL 18 6.073 -10.453 -5.439 289 HG21 VAL 18 HG21 VAL 18 9.295 -10.154 -8.233 290 HG22 VAL 18 HG22 VAL 18 9.325 -9.376 -6.645 291 HG23 VAL 18 HG23 VAL 18 9.572 -11.124 -6.772 292 H CYS 19 H CYS 19 4.702 -11.144 -8.428 293 HA CYS 19 HA CYS 19 3.315 -12.680 -6.413 294 HB2 CYS 19 HB2 CYS 19 2.311 -11.342 -8.947 295 HB3 CYS 19 HB3 CYS 19 1.306 -11.899 -7.603 296 H GLY 20 H GLY 20 4.523 -13.486 -9.560 297 HA2 GLY 20 HA2 GLY 20 4.644 -15.424 -10.704 298 HA3 GLY 20 HA3 GLY 20 4.252 -16.265 -9.191 299 H GLU 21 H GLU 21 2.666 -14.267 -11.668 300 HA GLU 21 HA GLU 21 0.762 -14.382 -12.842 301 HB2 GLU 21 HB2 GLU 21 0.819 -17.380 -12.449 302 HB3 GLU 21 HB3 GLU 21 -0.069 -16.485 -13.672 303 HG2 GLU 21 HG2 GLU 21 2.064 -15.673 -14.647 304 HG3 GLU 21 HG3 GLU 21 2.966 -16.597 -13.444 305 H ARG 22 H ARG 22 0.587 -14.642 -9.632 306 HA ARG 22 HA ARG 22 -2.278 -15.252 -9.329 307 HB2 ARG 22 HB2 ARG 22 -0.292 -13.873 -7.471 308 HB3 ARG 22 HB3 ARG 22 -1.949 -14.278 -7.042 309 HG2 ARG 22 HG2 ARG 22 -1.518 -16.671 -7.364 310 HG3 ARG 22 HG3 ARG 22 0.145 -16.341 -7.869 311 HD2 ARG 22 HD2 ARG 22 0.618 -15.318 -5.668 312 HD3 ARG 22 HD3 ARG 22 -1.036 -15.650 -5.142 313 HE ARG 22 HE ARG 22 1.193 -17.578 -5.513 314 HH11 ARG 22 HH11 ARG 22 -2.229 -17.276 -4.795 315 HH12 ARG 22 HH12 ARG 22 -2.328 -18.896 -4.167 316 HH21 ARG 22 HH21 ARG 22 0.997 -19.619 -4.678 317 HH22 ARG 22 HH22 ARG 22 -0.549 -20.182 -4.110 318 H GLY 23 H GLY 23 -0.514 -12.485 -10.336 319 HA2 GLY 23 HA2 GLY 23 -1.323 -10.415 -11.101 320 HA3 GLY 23 HA3 GLY 23 -2.904 -10.744 -10.405 321 H PHE 24 H PHE 24 -2.149 -8.342 -10.023 322 HA PHE 24 HA PHE 24 -1.397 -8.012 -7.190 323 HB2 PHE 24 HB2 PHE 24 0.300 -6.352 -7.738 324 HB3 PHE 24 HB3 PHE 24 0.719 -7.903 -8.426 325 HD1 PHE 24 HD2 PHE 24 -0.471 -4.466 -9.201 326 HD2 PHE 24 HD1 PHE 24 0.914 -8.214 -10.829 327 HE1 PHE 24 HE2 PHE 24 -0.240 -3.416 -11.442 328 HE2 PHE 24 HE1 PHE 24 1.140 -7.143 -13.069 329 HZ PHE 24 HZ PHE 24 0.540 -4.759 -13.377 330 H PHE 25 H PHE 25 -1.589 -5.748 -6.482 331 HA PHE 25 HA PHE 25 -3.592 -4.105 -7.947 332 HB2 PHE 25 HB2 PHE 25 -4.654 -5.296 -6.005 333 HB3 PHE 25 HB3 PHE 25 -3.464 -4.541 -4.943 334 HD1 PHE 25 HD2 PHE 25 -6.038 -3.615 -7.544 335 HD2 PHE 25 HD1 PHE 25 -4.073 -2.534 -3.855 336 HE1 PHE 25 HE2 PHE 25 -7.518 -1.631 -7.330 337 HE2 PHE 25 HE1 PHE 25 -5.562 -0.553 -3.646 338 HZ PHE 25 HZ PHE 25 -7.277 -0.095 -5.389 339 H TYR 26 H TYR 26 -3.449 -1.771 -7.283 340 HA TYR 26 HA TYR 26 -1.030 -1.001 -5.827 341 HB2 TYR 26 HB2 TYR 26 -0.331 0.679 -7.487 342 HB3 TYR 26 HB3 TYR 26 -0.080 -0.982 -7.976 343 HD1 TYR 26 HD1 TYR 26 -1.400 -2.004 -9.801 344 HD2 TYR 26 HD2 TYR 26 -1.891 2.142 -8.708 345 HE1 TYR 26 HE1 TYR 26 -2.553 -1.566 -11.965 346 HE2 TYR 26 HE2 TYR 26 -3.044 2.575 -10.873 347 HH TYR 26 HH TYR 26 -3.762 1.687 -12.866 348 H THR 27 H THR 27 -1.299 0.592 -4.557 349 HA THR 27 HA THR 27 -3.565 2.519 -4.867 350 HB THR 27 HB THR 27 -4.004 1.094 -2.965 351 HG1 THR 27 HG1 THR 27 -4.190 2.729 -1.460 352 HG21 THR 27 HG21 THR 27 -2.562 1.051 -0.981 353 HG22 THR 27 HG22 THR 27 -1.329 2.014 -1.816 354 HG23 THR 27 HG23 THR 27 -1.707 0.365 -2.367 355 H LYS 28 H LYS 28 -3.143 4.670 -4.481 356 HA LYS 28 HA LYS 28 -0.414 5.647 -3.977 357 HB2 LYS 28 HB2 LYS 28 -0.491 5.001 -6.426 358 HB3 LYS 28 HB3 LYS 28 -1.835 6.115 -6.639 359 HG2 LYS 28 HG2 LYS 28 -0.241 7.980 -5.842 360 HG3 LYS 28 HG3 LYS 28 1.042 6.770 -5.869 361 HD2 LYS 28 HD2 LYS 28 1.169 8.009 -7.905 362 HD3 LYS 28 HD3 LYS 28 0.530 6.413 -8.331 363 HE2 LYS 28 HE2 LYS 28 -1.781 7.350 -8.342 364 HE3 LYS 28 HE3 LYS 28 -1.154 8.926 -7.856 365 HZ1 LYS 28 HZ1 LYS 28 0.075 9.020 -9.958 366 HZ2 LYS 28 HZ2 LYS 28 -1.520 8.816 -10.251 367 HZ3 LYS 28 HZ3 LYS 28 -0.494 7.554 -10.406 368 HA PRO 29 HA PRO 29 -3.106 9.071 -2.569 369 HB2 PRO 29 HB2 PRO 29 -1.226 11.022 -2.176 370 HB3 PRO 29 HB3 PRO 29 -1.491 9.664 -1.040 371 HG2 PRO 29 HG2 PRO 29 0.609 9.889 -3.216 372 HG3 PRO 29 HG3 PRO 29 0.824 9.378 -1.514 373 HD2 PRO 29 HD2 PRO 29 0.575 7.578 -3.532 374 HD3 PRO 29 HD3 PRO 29 -0.144 7.268 -1.927 375 H THR 30 H THR 30 -4.350 10.016 -4.044 376 HA THR 30 HA THR 30 -3.233 11.370 -6.459 377 HB THR 30 HB THR 30 -5.554 9.410 -6.540 378 HG1 THR 30 HG1 THR 30 -3.717 8.253 -6.154 379 HG21 THR 30 HG21 THR 30 -3.877 10.743 -8.720 380 HG22 THR 30 HG22 THR 30 -5.585 11.085 -8.346 381 HG23 THR 30 HG23 THR 30 -5.127 9.504 -8.986 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 1.509 4.889 -4.201 2 H2 GLY 1 H2 GLY 1 1.581 4.266 -2.688 3 H3 GLY 1 H3 GLY 1 0.124 4.486 -3.412 4 HA2 GLY 1 HA2 GLY 1 0.724 2.145 -3.459 5 HA3 GLY 1 HA3 GLY 1 0.621 2.841 -5.087 6 H ILE 2 H ILE 2 2.032 1.069 -5.771 7 HA ILE 2 HA ILE 2 4.735 0.914 -4.753 8 HB ILE 2 HB ILE 2 3.686 -1.035 -5.664 9 HG12 ILE 2 HG12 ILE 2 6.095 -0.180 -7.342 10 HG13 ILE 2 HG13 ILE 2 6.163 -0.737 -5.671 11 HG21 ILE 2 HG21 ILE 2 2.305 -0.037 -7.425 12 HG22 ILE 2 HG22 ILE 2 3.738 0.413 -8.345 13 HG23 ILE 2 HG23 ILE 2 3.318 -1.306 -8.098 14 HD11 ILE 2 HD11 ILE 2 5.489 -2.299 -8.161 15 HD12 ILE 2 HD12 ILE 2 6.848 -2.462 -7.029 16 HD13 ILE 2 HD13 ILE 2 5.214 -2.923 -6.510 17 H VAL 3 H VAL 3 3.347 2.970 -7.271 18 HA VAL 3 HA VAL 3 5.748 3.507 -8.726 19 HB VAL 3 HB VAL 3 3.339 5.277 -8.156 20 HG11 VAL 3 HG11 VAL 3 5.230 6.690 -8.900 21 HG12 VAL 3 HG12 VAL 3 5.520 5.599 -10.269 22 HG13 VAL 3 HG13 VAL 3 4.018 6.542 -10.174 23 HG21 VAL 3 HG21 VAL 3 2.655 4.598 -10.446 24 HG22 VAL 3 HG22 VAL 3 4.066 3.530 -10.555 25 HG23 VAL 3 HG23 VAL 3 2.780 3.198 -9.378 26 H GLU 4 H GLU 4 4.522 4.912 -5.696 27 HA GLU 4 HA GLU 4 6.795 6.663 -5.276 28 HB2 GLU 4 HB2 GLU 4 4.619 5.694 -3.367 29 HB3 GLU 4 HB3 GLU 4 5.777 6.964 -3.039 30 HG2 GLU 4 HG2 GLU 4 3.789 8.068 -3.615 31 HG3 GLU 4 HG3 GLU 4 4.900 8.283 -4.964 32 H GLN 5 H GLN 5 6.593 3.306 -5.051 33 HA GLN 5 HA GLN 5 8.670 3.081 -2.928 34 HB2 GLN 5 HB2 GLN 5 6.692 1.617 -2.692 35 HB3 GLN 5 HB3 GLN 5 7.017 0.904 -4.280 36 HG2 GLN 5 HG2 GLN 5 7.829 -0.590 -2.596 37 HG3 GLN 5 HG3 GLN 5 9.171 0.040 -3.505 38 HE21 GLN 5 HE21 GLN 5 10.644 1.613 -2.465 39 HE22 GLN 5 HE22 GLN 5 10.707 1.617 -0.703 40 H CYS 6 H CYS 6 8.050 2.170 -6.362 41 HA CYS 6 HA CYS 6 10.927 1.400 -6.550 42 HB2 CYS 6 HB2 CYS 6 8.847 -0.238 -6.844 43 HB3 CYS 6 HB3 CYS 6 8.918 0.363 -8.499 44 H CYS 7 H CYS 7 8.636 3.635 -8.086 45 HA CYS 7 HA CYS 7 10.531 3.967 -10.350 46 HB2 CYS 7 HB2 CYS 7 8.144 3.909 -10.801 47 HB3 CYS 7 HB3 CYS 7 7.915 5.363 -9.825 48 H THR 8 H THR 8 9.272 5.905 -7.583 49 HA THR 8 HA THR 8 11.293 7.993 -7.991 50 HB THR 8 HB THR 8 10.284 9.049 -6.019 51 HG1 THR 8 HG1 THR 8 8.756 8.061 -4.875 52 HG21 THR 8 HG21 THR 8 8.052 9.458 -6.880 53 HG22 THR 8 HG22 THR 8 8.099 7.984 -7.863 54 HG23 THR 8 HG23 THR 8 9.175 9.338 -8.245 55 H SER 9 H SER 9 11.335 5.008 -6.341 56 HA SER 9 HA SER 9 13.923 5.611 -5.057 57 HB2 SER 9 HB2 SER 9 12.067 6.097 -3.380 58 HB3 SER 9 HB3 SER 9 11.675 4.371 -3.439 59 HG SER 9 HG SER 9 13.162 4.986 -1.740 60 H ILE 10 H ILE 10 14.568 3.364 -3.882 61 HA ILE 10 HA ILE 10 14.498 1.268 -5.977 62 HB ILE 10 HB ILE 10 16.032 1.582 -3.379 63 HG12 ILE 10 HG12 ILE 10 16.808 1.455 -6.328 64 HG13 ILE 10 HG13 ILE 10 16.828 2.881 -5.298 65 HG21 ILE 10 HG21 ILE 10 15.509 -0.781 -3.468 66 HG22 ILE 10 HG22 ILE 10 15.965 -0.858 -5.181 67 HG23 ILE 10 HG23 ILE 10 17.180 -0.567 -3.919 68 HD11 ILE 10 HD11 ILE 10 18.614 1.763 -3.898 69 HD12 ILE 10 HD12 ILE 10 18.706 0.499 -5.153 70 HD13 ILE 10 HD13 ILE 10 19.082 2.180 -5.561 71 H CYS 11 H CYS 11 13.535 -0.746 -5.787 72 HA CYS 11 HA CYS 11 12.112 -1.385 -3.278 73 HB2 CYS 11 HB2 CYS 11 10.179 -2.091 -4.271 74 HB3 CYS 11 HB3 CYS 11 10.523 -0.554 -5.047 75 H SER 12 H SER 12 11.461 -3.749 -3.284 76 HA SER 12 HA SER 12 13.520 -5.549 -4.413 77 HB2 SER 12 HB2 SER 12 14.380 -4.648 -2.227 78 HB3 SER 12 HB3 SER 12 12.945 -5.272 -1.418 79 HG SER 12 HG SER 12 14.945 -6.621 -1.440 80 H LEU 13 H LEU 13 12.966 -7.839 -3.798 81 HA LEU 13 HA LEU 13 10.461 -8.890 -4.367 82 HB2 LEU 13 HB2 LEU 13 12.541 -10.176 -4.223 83 HB3 LEU 13 HB3 LEU 13 12.703 -9.793 -2.509 84 HG LEU 13 HG LEU 13 10.644 -11.149 -2.032 85 HD11 LEU 13 HD11 LEU 13 9.872 -12.719 -3.782 86 HD12 LEU 13 HD12 LEU 13 10.930 -11.927 -4.966 87 HD13 LEU 13 HD13 LEU 13 9.576 -11.037 -4.238 88 HD21 LEU 13 HD21 LEU 13 12.883 -12.612 -3.470 89 HD22 LEU 13 HD22 LEU 13 11.726 -13.321 -2.323 90 HD23 LEU 13 HD23 LEU 13 12.887 -12.101 -1.773 91 H TYR 14 H TYR 14 11.715 -7.863 -1.183 92 HA TYR 14 HA TYR 14 9.466 -8.842 0.326 93 HB2 TYR 14 HB2 TYR 14 11.472 -6.692 1.095 94 HB3 TYR 14 HB3 TYR 14 10.483 -7.648 2.188 95 HD1 TYR 14 HD2 TYR 14 10.776 -10.301 1.983 96 HD2 TYR 14 HD1 TYR 14 13.675 -7.396 0.641 97 HE1 TYR 14 HE2 TYR 14 12.554 -12.046 2.028 98 HE2 TYR 14 HE1 TYR 14 15.450 -9.141 0.691 99 HH TYR 14 HH TYR 14 15.954 -11.333 1.142 100 H GLN 15 H GLN 15 10.016 -5.843 -1.383 101 HA GLN 15 HA GLN 15 7.685 -4.471 -0.178 102 HB2 GLN 15 HB2 GLN 15 9.264 -3.574 -2.599 103 HB3 GLN 15 HB3 GLN 15 8.217 -2.630 -1.538 104 HG2 GLN 15 HG2 GLN 15 10.987 -3.736 -0.906 105 HG3 GLN 15 HG3 GLN 15 10.501 -2.061 -1.069 106 HE21 GLN 15 HE21 GLN 15 9.005 -1.163 0.668 107 HE22 GLN 15 HE22 GLN 15 9.112 -1.912 2.260 108 H LEU 16 H LEU 16 8.705 -5.957 -3.247 109 HA LEU 16 HA LEU 16 6.442 -5.459 -4.800 110 HB2 LEU 16 HB2 LEU 16 8.602 -7.577 -4.838 111 HB3 LEU 16 HB3 LEU 16 7.390 -7.510 -6.109 112 HG LEU 16 HG LEU 16 9.131 -5.108 -5.416 113 HD11 LEU 16 HD11 LEU 16 10.564 -7.036 -6.135 114 HD12 LEU 16 HD12 LEU 16 10.575 -5.687 -7.276 115 HD13 LEU 16 HD13 LEU 16 9.615 -7.137 -7.636 116 HD21 LEU 16 HD21 LEU 16 7.040 -4.714 -6.749 117 HD22 LEU 16 HD22 LEU 16 7.651 -5.840 -7.970 118 HD23 LEU 16 HD23 LEU 16 8.523 -4.340 -7.644 119 H GLU 17 H GLU 17 7.008 -8.425 -2.773 120 HA GLU 17 HA GLU 17 4.476 -9.595 -3.494 121 HB2 GLU 17 HB2 GLU 17 6.257 -9.985 -1.041 122 HB3 GLU 17 HB3 GLU 17 4.778 -10.905 -1.344 123 HG2 GLU 17 HG2 GLU 17 5.758 -11.505 -3.626 124 HG3 GLU 17 HG3 GLU 17 7.303 -10.888 -3.028 125 H ASN 18 H ASN 18 5.112 -6.934 -1.317 126 HA ASN 18 HA ASN 18 2.578 -7.281 0.146 127 HB2 ASN 18 HB2 ASN 18 4.884 -5.335 0.325 128 HB3 ASN 18 HB3 ASN 18 3.324 -4.922 1.031 129 HD21 ASN 18 HD21 ASN 18 6.187 -6.923 1.471 130 HD22 ASN 18 HD22 ASN 18 5.602 -7.653 2.952 131 H TYR 19 H TYR 19 3.174 -6.280 -2.955 132 HA TYR 19 HA TYR 19 0.785 -4.480 -2.969 133 HB2 TYR 19 HB2 TYR 19 2.897 -4.816 -5.106 134 HB3 TYR 19 HB3 TYR 19 1.562 -3.676 -5.135 135 HD1 TYR 19 HD2 TYR 19 1.427 -2.221 -2.769 136 HD2 TYR 19 HD1 TYR 19 4.950 -3.904 -4.576 137 HE1 TYR 19 HE2 TYR 19 2.827 -0.656 -1.446 138 HE2 TYR 19 HE1 TYR 19 6.371 -2.315 -3.267 139 HH TYR 19 HH TYR 19 4.929 -0.008 -0.918 140 H CYS 20 H CYS 20 0.978 -7.572 -2.932 141 HA CYS 20 HA CYS 20 -0.757 -8.082 -5.301 142 HB2 CYS 20 HB2 CYS 20 1.275 -9.854 -3.951 143 HB3 CYS 20 HB3 CYS 20 0.169 -10.386 -5.229 144 H ASN 21 H ASN 21 -2.158 -9.907 -5.162 145 HA ASN 21 HA ASN 21 -4.273 -9.288 -3.512 146 HB2 ASN 21 HB2 ASN 21 -4.057 -10.646 -5.764 147 HB3 ASN 21 HB3 ASN 21 -3.980 -12.053 -4.719 148 HD21 ASN 21 HD22 ASN 21 -5.954 -9.396 -5.887 149 HD22 ASN 21 HD21 ASN 21 -7.488 -10.047 -5.315 150 H1 PHE 1 H1 PHE 1 15.935 -12.452 -8.005 151 H2 PHE 1 H2 PHE 1 17.020 -11.692 -7.033 152 H3 PHE 1 H3 PHE 1 17.178 -11.603 -8.658 153 HA PHE 1 HA PHE 1 15.171 -10.346 -8.874 154 HB2 PHE 1 HB2 PHE 1 15.077 -10.440 -5.832 155 HB3 PHE 1 HB3 PHE 1 14.000 -9.515 -6.868 156 HD1 PHE 1 HD1 PHE 1 12.483 -10.751 -8.539 157 HD2 PHE 1 HD2 PHE 1 14.595 -12.749 -5.335 158 HE1 PHE 1 HE1 PHE 1 10.989 -12.717 -8.760 159 HE2 PHE 1 HE2 PHE 1 13.079 -14.701 -5.560 160 HZ PHE 1 HZ PHE 1 11.277 -14.693 -7.274 161 H VAL 2 H VAL 2 15.181 -8.018 -8.768 162 HA VAL 2 HA VAL 2 17.916 -6.975 -8.347 163 HB VAL 2 HB VAL 2 17.179 -5.023 -9.615 164 HG11 VAL 2 HG11 VAL 2 17.024 -6.121 -11.781 165 HG12 VAL 2 HG12 VAL 2 18.202 -6.951 -10.750 166 HG13 VAL 2 HG13 VAL 2 16.589 -7.653 -11.017 167 HG21 VAL 2 HG21 VAL 2 14.543 -6.486 -10.047 168 HG22 VAL 2 HG22 VAL 2 14.756 -5.007 -9.081 169 HG23 VAL 2 HG23 VAL 2 15.065 -4.977 -10.818 170 H ASN 3 H ASN 3 18.390 -4.964 -7.334 171 HA ASN 3 HA ASN 3 16.408 -3.847 -5.435 172 HB2 ASN 3 HB2 ASN 3 17.995 -5.336 -4.276 173 HB3 ASN 3 HB3 ASN 3 19.365 -4.515 -5.021 174 HD21 ASN 3 HD21 ASN 3 19.674 -2.225 -4.492 175 HD22 ASN 3 HD22 ASN 3 19.236 -1.708 -2.874 176 H GLN 4 H GLN 4 15.964 -2.528 -7.334 177 HA GLN 4 HA GLN 4 17.773 -0.247 -7.830 178 HB2 GLN 4 HB2 GLN 4 16.829 -2.185 -10.007 179 HB3 GLN 4 HB3 GLN 4 17.561 -0.607 -10.312 180 HG2 GLN 4 HG2 GLN 4 19.620 -1.408 -9.047 181 HG3 GLN 4 HG3 GLN 4 18.910 -3.025 -9.074 182 HE21 GLN 4 HE21 GLN 4 18.356 -3.914 -11.360 183 HE22 GLN 4 HE22 GLN 4 19.443 -3.418 -12.644 184 H HIS 5 H HIS 5 16.632 1.240 -9.557 185 HA HIS 5 HA HIS 5 13.809 1.678 -8.807 186 HB2 HIS 5 HB2 HIS 5 15.693 3.118 -10.714 187 HB3 HIS 5 HB3 HIS 5 13.975 3.475 -10.602 188 HD1 HIS 5 HD1 HIS 5 13.590 5.583 -9.191 189 HD2 HIS 5 HD2 HIS 5 16.805 3.195 -7.919 190 HE1 HIS 5 HE1 HIS 5 14.693 6.844 -7.266 191 H LEU 6 H LEU 6 12.099 1.311 -10.108 192 HA LEU 6 HA LEU 6 12.358 0.285 -12.876 193 HB2 LEU 6 HB2 LEU 6 10.697 -1.087 -10.725 194 HB3 LEU 6 HB3 LEU 6 10.754 -1.530 -12.421 195 HG LEU 6 HG LEU 6 13.191 -1.728 -10.580 196 HD11 LEU 6 HD11 LEU 6 11.135 -3.804 -11.359 197 HD12 LEU 6 HD12 LEU 6 11.413 -3.159 -9.729 198 HD13 LEU 6 HD13 LEU 6 12.657 -4.145 -10.506 199 HD21 LEU 6 HD21 LEU 6 13.599 -1.713 -13.101 200 HD22 LEU 6 HD22 LEU 6 12.579 -3.176 -13.191 201 HD23 LEU 6 HD23 LEU 6 14.093 -3.194 -12.268 202 H CYS 7 H CYS 7 10.971 1.460 -14.096 203 HA CYS 7 HA CYS 7 8.510 2.652 -12.867 204 HB2 CYS 7 HB2 CYS 7 10.339 3.751 -15.018 205 HB3 CYS 7 HB3 CYS 7 8.794 4.459 -14.582 206 H GLY 8 H GLY 8 6.634 2.637 -14.042 207 HA2 GLY 8 HA2 GLY 8 5.048 1.917 -15.564 208 HA3 GLY 8 HA3 GLY 8 6.273 2.301 -16.766 209 H SER 9 H SER 9 6.854 0.667 -18.091 210 HA SER 9 HA SER 9 5.740 -1.948 -17.989 211 HB2 SER 9 HB2 SER 9 7.332 -2.429 -19.808 212 HB3 SER 9 HB3 SER 9 6.341 -0.980 -20.064 213 HG SER 9 HG SER 9 8.568 -0.610 -20.568 214 H HIS 10 H HIS 10 8.875 -0.734 -16.805 215 HA HIS 10 HA HIS 10 10.035 -3.360 -16.301 216 HB2 HIS 10 HB2 HIS 10 10.673 -0.598 -15.184 217 HB3 HIS 10 HB3 HIS 10 11.602 -2.047 -14.853 218 HD1 HIS 10 HD1 HIS 10 13.437 -2.691 -16.551 219 HD2 HIS 10 HD2 HIS 10 10.751 0.269 -17.868 220 HE1 HIS 10 HE1 HIS 10 14.420 -1.750 -18.706 221 H LEU 11 H LEU 11 8.128 -1.050 -14.421 222 HA LEU 11 HA LEU 11 8.367 -2.341 -11.861 223 HB2 LEU 11 HB2 LEU 11 7.887 -0.001 -12.133 224 HB3 LEU 11 HB3 LEU 11 6.415 -0.303 -13.012 225 HG LEU 11 HG LEU 11 6.728 -1.242 -10.144 226 HD11 LEU 11 HD11 LEU 11 5.737 1.474 -11.146 227 HD12 LEU 11 HD12 LEU 11 7.241 1.185 -10.239 228 HD13 LEU 11 HD13 LEU 11 5.683 0.900 -9.466 229 HD21 LEU 11 HD21 LEU 11 4.728 -2.145 -11.212 230 HD22 LEU 11 HD22 LEU 11 4.341 -0.571 -11.946 231 HD23 LEU 11 HD23 LEU 11 4.211 -0.824 -10.196 232 H VAL 12 H VAL 12 5.790 -2.454 -14.411 233 HA VAL 12 HA VAL 12 4.193 -4.290 -12.847 234 HB VAL 12 HB VAL 12 2.851 -4.645 -14.826 235 HG11 VAL 12 HG11 VAL 12 3.512 -1.694 -14.447 236 HG12 VAL 12 HG12 VAL 12 1.974 -2.387 -15.013 237 HG13 VAL 12 HG13 VAL 12 2.518 -2.664 -13.349 238 HG21 VAL 12 HG21 VAL 12 4.480 -4.570 -16.647 239 HG22 VAL 12 HG22 VAL 12 3.217 -3.357 -16.903 240 HG23 VAL 12 HG23 VAL 12 4.806 -2.864 -16.292 241 H GLU 13 H GLU 13 6.637 -4.833 -15.381 242 HA GLU 13 HA GLU 13 6.144 -7.655 -15.620 243 HB2 GLU 13 HB2 GLU 13 7.373 -6.301 -17.270 244 HB3 GLU 13 HB3 GLU 13 8.707 -6.090 -16.121 245 HG2 GLU 13 HG2 GLU 13 9.109 -8.522 -16.122 246 HG3 GLU 13 HG3 GLU 13 7.704 -8.780 -17.158 247 H ALA 14 H ALA 14 8.500 -5.843 -13.543 248 HA ALA 14 HA ALA 14 9.582 -8.143 -12.262 249 HB1 ALA 14 HB1 ALA 14 10.612 -5.926 -12.259 250 HB2 ALA 14 HB2 ALA 14 9.251 -5.263 -11.327 251 HB3 ALA 14 HB3 ALA 14 10.336 -6.466 -10.586 252 H LEU 15 H LEU 15 6.817 -6.048 -11.278 253 HA LEU 15 HA LEU 15 6.297 -7.417 -8.812 254 HB2 LEU 15 HB2 LEU 15 5.665 -5.109 -9.185 255 HB3 LEU 15 HB3 LEU 15 4.710 -5.542 -10.610 256 HG LEU 15 HG LEU 15 3.098 -6.706 -9.224 257 HD11 LEU 15 HD11 LEU 15 4.491 -7.435 -7.327 258 HD12 LEU 15 HD12 LEU 15 3.170 -6.426 -6.742 259 HD13 LEU 15 HD13 LEU 15 4.802 -5.748 -6.875 260 HD21 LEU 15 HD21 LEU 15 2.910 -4.228 -9.675 261 HD22 LEU 15 HD22 LEU 15 3.702 -3.923 -8.122 262 HD23 LEU 15 HD23 LEU 15 2.126 -4.726 -8.151 263 H TYR 16 H TYR 16 4.925 -7.823 -12.106 264 HA TYR 16 HA TYR 16 3.048 -9.881 -11.397 265 HB2 TYR 16 HB2 TYR 16 2.944 -8.533 -13.444 266 HB3 TYR 16 HB3 TYR 16 4.481 -9.193 -13.987 267 HD1 TYR 16 HD1 TYR 16 1.520 -11.024 -12.523 268 HD2 TYR 16 HD2 TYR 16 3.941 -10.216 -16.000 269 HE1 TYR 16 HE1 TYR 16 0.294 -12.791 -13.798 270 HE2 TYR 16 HE2 TYR 16 2.733 -11.994 -17.258 271 HH TYR 16 HH TYR 16 1.085 -13.585 -17.199 272 H LEU 17 H LEU 17 6.460 -10.021 -12.555 273 HA LEU 17 HA LEU 17 6.681 -12.865 -12.657 274 HB2 LEU 17 HB2 LEU 17 8.123 -11.269 -13.787 275 HB3 LEU 17 HB3 LEU 17 8.789 -10.709 -12.261 276 HG LEU 17 HG LEU 17 10.175 -12.229 -13.692 277 HD11 LEU 17 HD11 LEU 17 11.237 -13.410 -11.909 278 HD12 LEU 17 HD12 LEU 17 9.793 -13.328 -10.897 279 HD13 LEU 17 HD13 LEU 17 10.683 -11.842 -11.300 280 HD21 LEU 17 HD21 LEU 17 9.878 -14.619 -13.673 281 HD22 LEU 17 HD22 LEU 17 8.424 -13.851 -14.331 282 HD23 LEU 17 HD23 LEU 17 8.429 -14.483 -12.663 283 H VAL 18 H VAL 18 7.216 -10.555 -9.968 284 HA VAL 18 HA VAL 18 8.206 -12.541 -8.087 285 HB VAL 18 HB VAL 18 7.167 -9.702 -7.864 286 HG11 VAL 18 HG11 VAL 18 7.718 -11.586 -5.545 287 HG12 VAL 18 HG12 VAL 18 7.750 -9.813 -5.399 288 HG13 VAL 18 HG13 VAL 18 6.255 -10.618 -5.849 289 HG21 VAL 18 HG21 VAL 18 9.438 -9.332 -7.000 290 HG22 VAL 18 HG22 VAL 18 9.771 -11.069 -7.062 291 HG23 VAL 18 HG23 VAL 18 9.515 -10.161 -8.563 292 H CYS 19 H CYS 19 4.927 -11.180 -8.760 293 HA CYS 19 HA CYS 19 3.838 -12.857 -6.672 294 HB2 CYS 19 HB2 CYS 19 2.700 -10.820 -8.534 295 HB3 CYS 19 HB3 CYS 19 1.711 -11.735 -7.359 296 H GLY 20 H GLY 20 4.388 -13.461 -10.031 297 HA2 GLY 20 HA2 GLY 20 4.004 -15.337 -11.283 298 HA3 GLY 20 HA3 GLY 20 4.049 -16.195 -9.736 299 H GLU 21 H GLU 21 1.740 -14.036 -11.395 300 HA GLU 21 HA GLU 21 -0.468 -14.100 -11.803 301 HB2 GLU 21 HB2 GLU 21 -0.229 -17.119 -11.840 302 HB3 GLU 21 HB3 GLU 21 -1.571 -16.163 -12.463 303 HG2 GLU 21 HG2 GLU 21 -0.099 -15.081 -14.096 304 HG3 GLU 21 HG3 GLU 21 1.283 -16.003 -13.503 305 H ARG 22 H ARG 22 0.493 -14.481 -8.793 306 HA ARG 22 HA ARG 22 -1.984 -15.258 -7.464 307 HB2 ARG 22 HB2 ARG 22 0.377 -13.545 -6.589 308 HB3 ARG 22 HB3 ARG 22 -1.030 -13.814 -5.570 309 HG2 ARG 22 HG2 ARG 22 -0.716 -16.213 -5.581 310 HG3 ARG 22 HG3 ARG 22 0.654 -16.103 -6.682 311 HD2 ARG 22 HD2 ARG 22 0.624 -14.727 -3.966 312 HD3 ARG 22 HD3 ARG 22 1.149 -16.404 -4.169 313 HE ARG 22 HE ARG 22 2.610 -14.980 -6.058 314 HH11 ARG 22 HH21 ARG 22 2.402 -14.829 -2.518 315 HH12 ARG 22 HH22 ARG 22 4.102 -14.349 -2.417 316 HH21 ARG 22 HH11 ARG 22 4.867 -14.412 -5.653 317 HH22 ARG 22 HH12 ARG 22 5.291 -14.139 -3.965 318 H GLY 23 H GLY 23 -1.133 -12.450 -9.235 319 HA2 GLY 23 HA2 GLY 23 -2.677 -10.819 -10.006 320 HA3 GLY 23 HA3 GLY 23 -3.724 -11.107 -8.626 321 H PHE 24 H PHE 24 -2.150 -8.751 -9.865 322 HA PHE 24 HA PHE 24 -1.049 -7.590 -7.348 323 HB2 PHE 24 HB2 PHE 24 0.891 -6.822 -8.507 324 HB3 PHE 24 HB3 PHE 24 0.763 -8.558 -8.691 325 HD1 PHE 24 HD2 PHE 24 -0.115 -9.529 -10.901 326 HD2 PHE 24 HD1 PHE 24 1.145 -5.441 -10.447 327 HE1 PHE 24 HE2 PHE 24 -0.128 -9.241 -13.374 328 HE2 PHE 24 HE1 PHE 24 1.217 -5.180 -12.915 329 HZ PHE 24 HZ PHE 24 0.541 -7.075 -14.379 330 H PHE 25 H PHE 25 -1.965 -6.682 -10.685 331 HA PHE 25 HA PHE 25 -2.704 -4.792 -11.602 332 HB2 PHE 25 HB2 PHE 25 -4.698 -5.747 -10.436 333 HB3 PHE 25 HB3 PHE 25 -4.460 -4.581 -9.146 334 HD1 PHE 25 HD1 PHE 25 -3.787 -3.170 -12.483 335 HD2 PHE 25 HD2 PHE 25 -6.900 -4.152 -9.656 336 HE1 PHE 25 HE1 PHE 25 -5.340 -1.648 -13.654 337 HE2 PHE 25 HE2 PHE 25 -8.454 -2.624 -10.841 338 HZ PHE 25 HZ PHE 25 -7.676 -1.357 -12.834 339 H TYR 26 H TYR 26 -0.371 -4.406 -10.024 340 HA TYR 26 HA TYR 26 1.035 -2.817 -9.169 341 HB2 TYR 26 HB2 TYR 26 1.453 -1.096 -10.878 342 HB3 TYR 26 HB3 TYR 26 1.266 -2.721 -11.491 343 HD1 TYR 26 HD2 TYR 26 -0.450 0.569 -11.180 344 HD2 TYR 26 HD1 TYR 26 -0.424 -3.276 -13.131 345 HE1 TYR 26 HE2 TYR 26 -2.165 1.380 -12.800 346 HE2 TYR 26 HE1 TYR 26 -2.142 -2.465 -14.744 347 HH TYR 26 HH TYR 26 -3.472 0.858 -14.609 348 H THR 27 H THR 27 -1.324 -2.578 -7.633 349 HA THR 27 HA THR 27 -2.428 -1.306 -6.189 350 HB THR 27 HB THR 27 -1.416 0.515 -5.027 351 HG1 THR 27 HG1 THR 27 0.143 0.662 -7.311 352 HG21 THR 27 HG21 THR 27 0.629 -0.490 -4.260 353 HG22 THR 27 HG22 THR 27 0.771 -1.469 -5.734 354 HG23 THR 27 HG23 THR 27 -0.546 -1.774 -4.578 355 H LYS 28 H LYS 28 -2.582 -0.554 -9.185 356 HA LYS 28 HA LYS 28 -3.434 1.095 -10.557 357 HB2 LYS 28 HB2 LYS 28 -5.818 1.016 -10.457 358 HB3 LYS 28 HB3 LYS 28 -5.111 -0.564 -10.217 359 HG2 LYS 28 HG2 LYS 28 -5.797 -0.772 -8.038 360 HG3 LYS 28 HG3 LYS 28 -5.817 0.949 -7.709 361 HD2 LYS 28 HD2 LYS 28 -7.853 -0.556 -9.377 362 HD3 LYS 28 HD3 LYS 28 -8.081 0.012 -7.727 363 HE2 LYS 28 HE2 LYS 28 -7.747 1.724 -10.231 364 HE3 LYS 28 HE3 LYS 28 -9.228 1.480 -9.314 365 HZ1 LYS 28 HZ1 LYS 28 -8.127 3.605 -8.770 366 HZ2 LYS 28 HZ2 LYS 28 -6.790 2.843 -8.311 367 HZ3 LYS 28 HZ3 LYS 28 -8.178 2.637 -7.437 368 HA PRO 29 HA PRO 29 -3.332 4.950 -7.887 369 HB2 PRO 29 HB2 PRO 29 -1.335 6.280 -9.231 370 HB3 PRO 29 HB3 PRO 29 -1.050 5.168 -7.857 371 HG2 PRO 29 HG2 PRO 29 -0.850 4.556 -10.821 372 HG3 PRO 29 HG3 PRO 29 0.311 4.141 -9.518 373 HD2 PRO 29 HD2 PRO 29 -1.517 2.358 -10.453 374 HD3 PRO 29 HD3 PRO 29 -1.063 2.399 -8.720 375 H THR 30 H THR 30 -4.980 6.189 -8.438 376 HA THR 30 HA THR 30 -5.451 7.130 -11.224 377 HB THR 30 HB THR 30 -7.905 6.674 -10.878 378 HG1 THR 30 HG1 THR 30 -7.672 6.240 -8.609 379 HG21 THR 30 HG21 THR 30 -6.123 4.203 -11.020 380 HG22 THR 30 HG22 THR 30 -6.531 5.274 -12.376 381 HG23 THR 30 HG23 THR 30 -7.804 4.341 -11.573 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 3.526 2.646 -0.773 2 H2 GLY 1 H2 GLY 1 1.987 3.220 -0.761 3 H3 GLY 1 H3 GLY 1 3.129 3.977 -1.654 4 HA2 GLY 1 HA2 GLY 1 1.995 1.290 -2.120 5 HA3 GLY 1 HA3 GLY 1 1.747 2.725 -3.126 6 H ILE 2 H ILE 2 2.536 0.613 -4.465 7 HA ILE 2 HA ILE 2 5.229 -0.179 -4.583 8 HB ILE 2 HB ILE 2 3.398 -1.386 -5.627 9 HG12 ILE 2 HG12 ILE 2 4.460 -1.838 -7.849 10 HG13 ILE 2 HG13 ILE 2 5.639 -0.575 -7.524 11 HG21 ILE 2 HG21 ILE 2 3.448 0.709 -7.831 12 HG22 ILE 2 HG22 ILE 2 2.416 -0.727 -7.734 13 HG23 ILE 2 HG23 ILE 2 2.183 0.606 -6.586 14 HD11 ILE 2 HD11 ILE 2 5.216 -3.210 -6.151 15 HD12 ILE 2 HD12 ILE 2 6.589 -2.686 -7.117 16 HD13 ILE 2 HD13 ILE 2 6.341 -1.954 -5.514 17 H VAL 3 H VAL 3 3.694 2.575 -6.241 18 HA VAL 3 HA VAL 3 5.890 3.237 -7.937 19 HB VAL 3 HB VAL 3 3.768 5.125 -6.842 20 HG11 VAL 3 HG11 VAL 3 5.587 6.276 -8.081 21 HG12 VAL 3 HG12 VAL 3 5.340 5.176 -9.456 22 HG13 VAL 3 HG13 VAL 3 4.068 6.322 -8.979 23 HG21 VAL 3 HG21 VAL 3 3.649 3.266 -9.255 24 HG22 VAL 3 HG22 VAL 3 2.622 3.172 -7.810 25 HG23 VAL 3 HG23 VAL 3 2.469 4.549 -8.883 26 H GLU 4 H GLU 4 5.104 4.181 -4.639 27 HA GLU 4 HA GLU 4 7.235 6.153 -4.350 28 HB2 GLU 4 HB2 GLU 4 5.444 4.839 -2.286 29 HB3 GLU 4 HB3 GLU 4 6.426 6.278 -2.029 30 HG2 GLU 4 HG2 GLU 4 5.092 7.580 -3.583 31 HG3 GLU 4 HG3 GLU 4 4.148 6.163 -4.054 32 H GLN 5 H GLN 5 7.481 2.903 -4.595 33 HA GLN 5 HA GLN 5 9.949 2.817 -2.895 34 HB2 GLN 5 HB2 GLN 5 7.939 0.593 -3.436 35 HB3 GLN 5 HB3 GLN 5 9.534 0.332 -2.728 36 HG2 GLN 5 HG2 GLN 5 7.366 2.086 -1.488 37 HG3 GLN 5 HG3 GLN 5 7.688 0.411 -1.063 38 HE21 GLN 5 HE21 GLN 5 9.116 3.714 -0.958 39 HE22 GLN 5 HE22 GLN 5 10.232 3.303 0.343 40 H CYS 6 H CYS 6 8.384 1.523 -5.863 41 HA CYS 6 HA CYS 6 11.007 0.669 -6.878 42 HB2 CYS 6 HB2 CYS 6 8.147 0.356 -7.861 43 HB3 CYS 6 HB3 CYS 6 9.556 -0.181 -8.774 44 H CYS 7 H CYS 7 8.623 3.232 -7.777 45 HA CYS 7 HA CYS 7 10.184 3.838 -10.198 46 HB2 CYS 7 HB2 CYS 7 7.690 3.997 -10.068 47 HB3 CYS 7 HB3 CYS 7 7.880 5.386 -8.996 48 H THR 8 H THR 8 9.482 5.493 -7.076 49 HA THR 8 HA THR 8 11.299 7.691 -7.643 50 HB THR 8 HB THR 8 10.691 8.458 -5.380 51 HG1 THR 8 HG1 THR 8 9.468 7.242 -4.081 52 HG21 THR 8 HG21 THR 8 9.147 8.923 -7.294 53 HG22 THR 8 HG22 THR 8 8.311 8.808 -5.732 54 HG23 THR 8 HG23 THR 8 8.232 7.459 -6.884 55 H SER 9 H SER 9 11.814 4.577 -6.259 56 HA SER 9 HA SER 9 14.523 5.285 -5.315 57 HB2 SER 9 HB2 SER 9 12.818 5.610 -3.430 58 HB3 SER 9 HB3 SER 9 12.582 3.857 -3.462 59 HG SER 9 HG SER 9 14.214 4.618 -1.948 60 H ILE 10 H ILE 10 15.339 3.046 -4.191 61 HA ILE 10 HA ILE 10 15.178 0.921 -6.256 62 HB ILE 10 HB ILE 10 16.904 1.355 -3.796 63 HG12 ILE 10 HG12 ILE 10 17.478 0.987 -6.779 64 HG13 ILE 10 HG13 ILE 10 17.472 2.524 -5.910 65 HG21 ILE 10 HG21 ILE 10 17.997 -0.845 -4.319 66 HG22 ILE 10 HG22 ILE 10 16.364 -1.020 -3.724 67 HG23 ILE 10 HG23 ILE 10 16.664 -1.175 -5.466 68 HD11 ILE 10 HD11 ILE 10 19.746 1.872 -6.220 69 HD12 ILE 10 HD12 ILE 10 19.371 1.679 -4.493 70 HD13 ILE 10 HD13 ILE 10 19.466 0.254 -5.565 71 H CYS 11 H CYS 11 14.128 -0.992 -6.024 72 HA CYS 11 HA CYS 11 12.921 -1.666 -3.391 73 HB2 CYS 11 HB2 CYS 11 10.822 -2.231 -4.325 74 HB3 CYS 11 HB3 CYS 11 11.203 -0.596 -4.819 75 H SER 12 H SER 12 12.332 -3.907 -3.159 76 HA SER 12 HA SER 12 13.825 -5.827 -4.882 77 HB2 SER 12 HB2 SER 12 15.115 -5.181 -2.777 78 HB3 SER 12 HB3 SER 12 13.835 -5.976 -1.850 79 HG SER 12 HG SER 12 15.704 -7.320 -2.470 80 H LEU 13 H LEU 13 13.247 -8.101 -4.203 81 HA LEU 13 HA LEU 13 10.572 -8.846 -4.614 82 HB2 LEU 13 HB2 LEU 13 12.830 -10.281 -3.149 83 HB3 LEU 13 HB3 LEU 13 11.287 -11.008 -3.597 84 HG LEU 13 HG LEU 13 11.819 -10.511 -6.025 85 HD11 LEU 13 HD11 LEU 13 14.298 -10.376 -6.553 86 HD12 LEU 13 HD12 LEU 13 14.574 -9.901 -4.864 87 HD13 LEU 13 HD13 LEU 13 13.591 -8.880 -5.962 88 HD21 LEU 13 HD21 LEU 13 13.706 -12.348 -4.487 89 HD22 LEU 13 HD22 LEU 13 13.314 -12.466 -6.218 90 HD23 LEU 13 HD23 LEU 13 12.049 -12.743 -5.018 91 H TYR 14 H TYR 14 12.293 -8.190 -1.572 92 HA TYR 14 HA TYR 14 10.239 -9.100 0.206 93 HB2 TYR 14 HB2 TYR 14 12.477 -7.106 0.707 94 HB3 TYR 14 HB3 TYR 14 11.573 -7.985 1.936 95 HD1 TYR 14 HD2 TYR 14 11.667 -10.562 1.925 96 HD2 TYR 14 HD1 TYR 14 14.456 -8.079 -0.240 97 HE1 TYR 14 HE2 TYR 14 13.272 -12.471 1.793 98 HE2 TYR 14 HE1 TYR 14 16.056 -9.981 -0.368 99 HH TYR 14 HH TYR 14 16.458 -12.170 0.176 100 H GLN 15 H GLN 15 10.452 -6.157 -1.591 101 HA GLN 15 HA GLN 15 8.219 -4.934 -0.014 102 HB2 GLN 15 HB2 GLN 15 9.978 -3.760 -2.202 103 HB3 GLN 15 HB3 GLN 15 8.620 -2.932 -1.445 104 HG2 GLN 15 HG2 GLN 15 11.136 -3.885 -0.001 105 HG3 GLN 15 HG3 GLN 15 10.821 -2.241 -0.530 106 HE21 GLN 15 HE21 GLN 15 11.416 -2.701 2.135 107 HE22 GLN 15 HE22 GLN 15 9.963 -2.417 3.082 108 H LEU 16 H LEU 16 9.119 -6.100 -3.268 109 HA LEU 16 HA LEU 16 6.746 -5.489 -4.638 110 HB2 LEU 16 HB2 LEU 16 8.829 -7.659 -4.891 111 HB3 LEU 16 HB3 LEU 16 7.514 -7.576 -6.039 112 HG LEU 16 HG LEU 16 9.381 -5.226 -5.536 113 HD11 LEU 16 HD11 LEU 16 9.555 -7.328 -7.742 114 HD12 LEU 16 HD12 LEU 16 10.699 -7.150 -6.385 115 HD13 LEU 16 HD13 LEU 16 10.549 -5.860 -7.598 116 HD21 LEU 16 HD21 LEU 16 7.631 -5.937 -7.931 117 HD22 LEU 16 HD22 LEU 16 8.555 -4.446 -7.694 118 HD23 LEU 16 HD23 LEU 16 7.159 -4.796 -6.662 119 H GLU 17 H GLU 17 7.383 -8.445 -2.646 120 HA GLU 17 HA GLU 17 4.901 -9.714 -3.180 121 HB2 GLU 17 HB2 GLU 17 6.777 -9.829 -0.783 122 HB3 GLU 17 HB3 GLU 17 5.319 -10.822 -0.923 123 HG2 GLU 17 HG2 GLU 17 6.152 -11.623 -3.161 124 HG3 GLU 17 HG3 GLU 17 7.681 -10.832 -2.827 125 H ASN 18 H ASN 18 5.305 -6.776 -1.367 126 HA ASN 18 HA ASN 18 2.981 -7.216 0.362 127 HB2 ASN 18 HB2 ASN 18 4.562 -4.691 -0.266 128 HB3 ASN 18 HB3 ASN 18 3.348 -4.837 0.989 129 HD21 ASN 18 HD21 ASN 18 6.221 -4.144 1.304 130 HD22 ASN 18 HD22 ASN 18 6.850 -5.386 2.371 131 H TYR 19 H TYR 19 3.221 -6.540 -2.933 132 HA TYR 19 HA TYR 19 0.671 -4.972 -2.962 133 HB2 TYR 19 HB2 TYR 19 2.842 -5.050 -5.052 134 HB3 TYR 19 HB3 TYR 19 1.466 -3.960 -5.023 135 HD1 TYR 19 HD2 TYR 19 1.269 -2.562 -2.675 136 HD2 TYR 19 HD1 TYR 19 4.858 -4.233 -4.363 137 HE1 TYR 19 HE2 TYR 19 2.647 -0.972 -1.336 138 HE2 TYR 19 HE1 TYR 19 6.231 -2.572 -3.126 139 HH TYR 19 HH TYR 19 4.767 -0.254 -0.799 140 H CYS 20 H CYS 20 1.379 -8.121 -3.293 141 HA CYS 20 HA CYS 20 0.039 -8.741 -5.784 142 HB2 CYS 20 HB2 CYS 20 0.475 -10.553 -3.399 143 HB3 CYS 20 HB3 CYS 20 0.089 -11.016 -5.059 144 H ASN 21 H ASN 21 -2.044 -9.722 -6.046 145 HA ASN 21 HA ASN 21 -4.096 -8.731 -4.100 146 HB2 ASN 21 HB2 ASN 21 -3.821 -7.331 -6.130 147 HB3 ASN 21 HB3 ASN 21 -4.191 -8.735 -7.137 148 HD21 ASN 21 HD21 ASN 21 -5.814 -7.095 -7.928 149 HD22 ASN 21 HD22 ASN 21 -7.352 -7.030 -7.069 150 H1 PHE 1 H1 PHE 1 12.696 -4.617 -8.135 151 H2 PHE 1 H2 PHE 1 14.004 -4.124 -9.000 152 H3 PHE 1 H3 PHE 1 14.093 -4.250 -7.368 153 HA PHE 1 HA PHE 1 13.862 -6.626 -7.455 154 HB2 PHE 1 HB2 PHE 1 12.388 -6.548 -9.504 155 HB3 PHE 1 HB3 PHE 1 13.824 -6.313 -10.484 156 HD1 PHE 1 HD2 PHE 1 11.978 -8.682 -8.299 157 HD2 PHE 1 HD1 PHE 1 15.250 -8.184 -11.076 158 HE1 PHE 1 HE2 PHE 1 12.190 -11.141 -8.496 159 HE2 PHE 1 HE1 PHE 1 15.473 -10.650 -11.244 160 HZ PHE 1 HZ PHE 1 13.936 -12.134 -9.961 161 H VAL 2 H VAL 2 15.810 -7.622 -7.130 162 HA VAL 2 HA VAL 2 17.974 -7.529 -6.556 163 HB VAL 2 HB VAL 2 19.550 -8.063 -8.277 164 HG11 VAL 2 HG11 VAL 2 18.475 -10.100 -9.043 165 HG12 VAL 2 HG12 VAL 2 18.015 -9.767 -7.371 166 HG13 VAL 2 HG13 VAL 2 16.871 -9.438 -8.690 167 HG21 VAL 2 HG21 VAL 2 18.936 -8.285 -10.630 168 HG22 VAL 2 HG22 VAL 2 17.353 -7.556 -10.326 169 HG23 VAL 2 HG23 VAL 2 18.835 -6.590 -10.143 170 H ASN 3 H ASN 3 17.094 -5.134 -6.045 171 HA ASN 3 HA ASN 3 17.749 -3.122 -5.352 172 HB2 ASN 3 HB2 ASN 3 20.587 -4.038 -5.873 173 HB3 ASN 3 HB3 ASN 3 20.082 -2.699 -4.852 174 HD21 ASN 3 HD21 ASN 3 20.441 -6.159 -5.053 175 HD22 ASN 3 HD22 ASN 3 19.923 -6.483 -3.400 176 H GLN 4 H GLN 4 16.605 -2.769 -7.557 177 HA GLN 4 HA GLN 4 18.073 -0.599 -8.993 178 HB2 GLN 4 HB2 GLN 4 16.376 -2.769 -10.298 179 HB3 GLN 4 HB3 GLN 4 17.108 -1.400 -11.129 180 HG2 GLN 4 HG2 GLN 4 19.358 -2.263 -10.669 181 HG3 GLN 4 HG3 GLN 4 18.678 -3.621 -9.755 182 HE21 GLN 4 HE22 GLN 4 17.090 -5.058 -10.962 183 HE22 GLN 4 HE21 GLN 4 17.442 -5.339 -12.671 184 H HIS 5 H HIS 5 16.678 0.881 -10.141 185 HA HIS 5 HA HIS 5 14.006 1.367 -8.954 186 HB2 HIS 5 HB2 HIS 5 15.645 2.814 -11.070 187 HB3 HIS 5 HB3 HIS 5 13.962 3.191 -10.750 188 HD1 HIS 5 HD1 HIS 5 13.766 5.299 -9.329 189 HD2 HIS 5 HD2 HIS 5 17.069 2.867 -8.401 190 HE1 HIS 5 HE1 HIS 5 15.100 6.554 -7.546 191 H LEU 6 H LEU 6 12.101 1.134 -10.072 192 HA LEU 6 HA LEU 6 12.031 0.102 -12.858 193 HB2 LEU 6 HB2 LEU 6 10.675 -1.283 -10.511 194 HB3 LEU 6 HB3 LEU 6 10.461 -1.691 -12.207 195 HG LEU 6 HG LEU 6 13.093 -2.011 -10.688 196 HD11 LEU 6 HD11 LEU 6 11.350 -3.469 -9.786 197 HD12 LEU 6 HD12 LEU 6 12.436 -4.441 -10.824 198 HD13 LEU 6 HD13 LEU 6 10.862 -3.926 -11.423 199 HD21 LEU 6 HD21 LEU 6 13.810 -3.375 -12.544 200 HD22 LEU 6 HD22 LEU 6 13.261 -1.843 -13.247 201 HD23 LEU 6 HD23 LEU 6 12.221 -3.291 -13.319 202 H CYS 7 H CYS 7 10.494 1.257 -13.932 203 HA CYS 7 HA CYS 7 8.038 2.079 -12.482 204 HB2 CYS 7 HB2 CYS 7 9.886 3.882 -12.526 205 HB3 CYS 7 HB3 CYS 7 9.483 4.062 -14.232 206 H GLY 8 H GLY 8 6.229 2.577 -13.840 207 HA2 GLY 8 HA2 GLY 8 4.767 2.093 -15.571 208 HA3 GLY 8 HA3 GLY 8 6.135 2.329 -16.660 209 H SER 9 H SER 9 6.332 0.604 -18.008 210 HA SER 9 HA SER 9 5.182 -1.939 -17.680 211 HB2 SER 9 HB2 SER 9 7.614 -1.220 -19.342 212 HB3 SER 9 HB3 SER 9 6.532 -2.606 -19.576 213 HG SER 9 HG SER 9 5.993 -0.845 -20.968 214 H HIS 10 H HIS 10 8.363 -0.784 -16.608 215 HA HIS 10 HA HIS 10 9.514 -3.410 -16.159 216 HB2 HIS 10 HB2 HIS 10 10.218 -0.631 -15.116 217 HB3 HIS 10 HB3 HIS 10 11.168 -2.063 -14.813 218 HD1 HIS 10 HD1 HIS 10 12.811 -2.871 -16.701 219 HD2 HIS 10 HD2 HIS 10 10.221 0.285 -17.744 220 HE1 HIS 10 HE1 HIS 10 13.672 -1.948 -18.898 221 H LEU 11 H LEU 11 7.702 -1.097 -14.191 222 HA LEU 11 HA LEU 11 8.088 -2.353 -11.625 223 HB2 LEU 11 HB2 LEU 11 7.595 -0.043 -11.874 224 HB3 LEU 11 HB3 LEU 11 6.110 -0.326 -12.752 225 HG LEU 11 HG LEU 11 6.433 -1.241 -9.879 226 HD11 LEU 11 HD11 LEU 11 5.536 1.497 -10.915 227 HD12 LEU 11 HD12 LEU 11 7.010 1.160 -9.975 228 HD13 LEU 11 HD13 LEU 11 5.422 0.956 -9.230 229 HD21 LEU 11 HD21 LEU 11 4.391 -2.089 -10.930 230 HD22 LEU 11 HD22 LEU 11 4.039 -0.492 -11.625 231 HD23 LEU 11 HD23 LEU 11 3.934 -0.755 -9.881 232 H VAL 12 H VAL 12 5.443 -2.525 -14.072 233 HA VAL 12 HA VAL 12 3.916 -4.376 -12.442 234 HB VAL 12 HB VAL 12 2.478 -4.672 -14.383 235 HG11 VAL 12 HG11 VAL 12 1.563 -2.411 -14.363 236 HG12 VAL 12 HG12 VAL 12 2.200 -2.795 -12.751 237 HG13 VAL 12 HG13 VAL 12 3.124 -1.739 -13.840 238 HG21 VAL 12 HG21 VAL 12 4.288 -2.719 -15.834 239 HG22 VAL 12 HG22 VAL 12 4.033 -4.422 -16.270 240 HG23 VAL 12 HG23 VAL 12 2.700 -3.274 -16.389 241 H GLU 13 H GLU 13 6.208 -4.871 -15.146 242 HA GLU 13 HA GLU 13 5.676 -7.676 -15.431 243 HB2 GLU 13 HB2 GLU 13 6.847 -6.299 -17.110 244 HB3 GLU 13 HB3 GLU 13 8.222 -6.107 -16.005 245 HG2 GLU 13 HG2 GLU 13 8.629 -8.544 -16.074 246 HG3 GLU 13 HG3 GLU 13 7.196 -8.772 -17.082 247 H ALA 14 H ALA 14 8.116 -5.937 -13.423 248 HA ALA 14 HA ALA 14 9.260 -8.296 -12.262 249 HB1 ALA 14 HB1 ALA 14 10.351 -6.099 -12.330 250 HB2 ALA 14 HB2 ALA 14 9.073 -5.418 -11.290 251 HB3 ALA 14 HB3 ALA 14 10.189 -6.650 -10.644 252 H LEU 15 H LEU 15 6.579 -6.141 -11.141 253 HA LEU 15 HA LEU 15 6.167 -7.504 -8.662 254 HB2 LEU 15 HB2 LEU 15 5.516 -5.218 -9.038 255 HB3 LEU 15 HB3 LEU 15 4.478 -5.665 -10.394 256 HG LEU 15 HG LEU 15 2.927 -6.758 -8.938 257 HD11 LEU 15 HD11 LEU 15 4.685 -5.911 -6.601 258 HD12 LEU 15 HD12 LEU 15 4.476 -7.585 -7.158 259 HD13 LEU 15 HD13 LEU 15 3.097 -6.714 -6.509 260 HD21 LEU 15 HD21 LEU 15 3.757 -4.018 -7.897 261 HD22 LEU 15 HD22 LEU 15 2.159 -4.743 -7.669 262 HD23 LEU 15 HD23 LEU 15 2.712 -4.318 -9.299 263 H TYR 16 H TYR 16 4.666 -7.963 -11.900 264 HA TYR 16 HA TYR 16 2.868 -10.073 -11.121 265 HB2 TYR 16 HB2 TYR 16 2.755 -8.690 -13.209 266 HB3 TYR 16 HB3 TYR 16 4.186 -9.506 -13.811 267 HD1 TYR 16 HD2 TYR 16 0.597 -9.873 -12.928 268 HD2 TYR 16 HD1 TYR 16 4.039 -11.771 -14.716 269 HE1 TYR 16 HE2 TYR 16 -0.879 -11.637 -13.909 270 HE2 TYR 16 HE1 TYR 16 2.566 -13.530 -15.683 271 HH TYR 16 HH TYR 16 0.402 -14.276 -15.957 272 H LEU 17 H LEU 17 6.255 -10.144 -12.270 273 HA LEU 17 HA LEU 17 6.586 -12.981 -12.321 274 HB2 LEU 17 HB2 LEU 17 7.994 -11.361 -13.446 275 HB3 LEU 17 HB3 LEU 17 8.571 -10.715 -11.928 276 HG LEU 17 HG LEU 17 10.097 -12.203 -13.230 277 HD11 LEU 17 HD11 LEU 17 10.471 -11.692 -10.825 278 HD12 LEU 17 HD12 LEU 17 11.146 -13.245 -11.350 279 HD13 LEU 17 HD13 LEU 17 9.656 -13.216 -10.401 280 HD21 LEU 17 HD21 LEU 17 9.941 -14.600 -13.104 281 HD22 LEU 17 HD22 LEU 17 8.482 -13.951 -13.876 282 HD23 LEU 17 HD23 LEU 17 8.427 -14.513 -12.190 283 H VAL 18 H VAL 18 7.006 -10.602 -9.668 284 HA VAL 18 HA VAL 18 8.002 -12.637 -7.804 285 HB VAL 18 HB VAL 18 7.282 -9.709 -7.499 286 HG11 VAL 18 HG11 VAL 18 6.753 -10.666 -5.342 287 HG12 VAL 18 HG12 VAL 18 8.241 -11.650 -5.345 288 HG13 VAL 18 HG13 VAL 18 8.325 -9.885 -5.213 289 HG21 VAL 18 HG21 VAL 18 9.885 -11.310 -7.312 290 HG22 VAL 18 HG22 VAL 18 9.408 -10.267 -8.665 291 HG23 VAL 18 HG23 VAL 18 9.736 -9.556 -7.084 292 H CYS 19 H CYS 19 4.807 -11.129 -8.389 293 HA CYS 19 HA CYS 19 3.544 -12.626 -6.248 294 HB2 CYS 19 HB2 CYS 19 2.421 -11.294 -8.738 295 HB3 CYS 19 HB3 CYS 19 1.451 -11.953 -7.415 296 H GLY 20 H GLY 20 4.397 -13.376 -9.587 297 HA2 GLY 20 HA2 GLY 20 4.552 -15.363 -10.683 298 HA3 GLY 20 HA3 GLY 20 4.195 -16.207 -9.165 299 H GLU 21 H GLU 21 2.573 -14.160 -11.600 300 HA GLU 21 HA GLU 21 0.594 -14.214 -12.662 301 HB2 GLU 21 HB2 GLU 21 0.524 -17.212 -12.262 302 HB3 GLU 21 HB3 GLU 21 -0.314 -16.264 -13.481 303 HG2 GLU 21 HG2 GLU 21 1.907 -15.561 -14.427 304 HG3 GLU 21 HG3 GLU 21 2.705 -16.637 -13.289 305 H ARG 22 H ARG 22 0.612 -14.535 -9.464 306 HA ARG 22 HA ARG 22 -2.182 -15.036 -8.849 307 HB2 ARG 22 HB2 ARG 22 0.230 -13.892 -7.447 308 HB3 ARG 22 HB3 ARG 22 -1.321 -13.585 -6.728 309 HG2 ARG 22 HG2 ARG 22 -0.817 -16.433 -7.540 310 HG3 ARG 22 HG3 ARG 22 0.188 -15.817 -6.239 311 HD2 ARG 22 HD2 ARG 22 -1.985 -17.024 -5.604 312 HD3 ARG 22 HD3 ARG 22 -1.589 -15.529 -4.778 313 HE ARG 22 HE ARG 22 -3.654 -15.841 -6.935 314 HH11 ARG 22 HH11 ARG 22 -2.528 -13.991 -4.154 315 HH12 ARG 22 HH12 ARG 22 -3.816 -12.809 -4.335 316 HH21 ARG 22 HH21 ARG 22 -5.201 -14.224 -7.089 317 HH22 ARG 22 HH22 ARG 22 -5.097 -12.849 -6.021 318 H GLY 23 H GLY 23 -0.579 -12.256 -10.136 319 HA2 GLY 23 HA2 GLY 23 -1.530 -10.234 -10.874 320 HA3 GLY 23 HA3 GLY 23 -3.057 -10.642 -10.094 321 H PHE 24 H PHE 24 -2.149 -8.154 -9.904 322 HA PHE 24 HA PHE 24 -1.278 -7.710 -7.105 323 HB2 PHE 24 HB2 PHE 24 0.532 -6.270 -7.856 324 HB3 PHE 24 HB3 PHE 24 0.761 -7.900 -8.444 325 HD1 PHE 24 HD2 PHE 24 -0.003 -4.408 -9.395 326 HD2 PHE 24 HD1 PHE 24 0.637 -8.414 -10.848 327 HE1 PHE 24 HE2 PHE 24 0.075 -3.550 -11.717 328 HE2 PHE 24 HE1 PHE 24 0.705 -7.538 -13.187 329 HZ PHE 24 HZ PHE 24 0.375 -5.119 -13.616 330 H PHE 25 H PHE 25 -1.174 -5.355 -6.596 331 HA PHE 25 HA PHE 25 -3.273 -3.744 -7.987 332 HB2 PHE 25 HB2 PHE 25 -3.803 -4.395 -5.602 333 HB3 PHE 25 HB3 PHE 25 -2.381 -3.476 -5.104 334 HD1 PHE 25 HD2 PHE 25 -5.640 -3.176 -6.939 335 HD2 PHE 25 HD1 PHE 25 -2.537 -1.114 -4.766 336 HE1 PHE 25 HE2 PHE 25 -6.994 -1.092 -6.969 337 HE2 PHE 25 HE1 PHE 25 -3.910 0.961 -4.791 338 HZ PHE 25 HZ PHE 25 -6.133 0.974 -5.898 339 H TYR 26 H TYR 26 -2.787 -1.588 -8.408 340 HA TYR 26 HA TYR 26 0.054 -0.725 -8.112 341 HB2 TYR 26 HB2 TYR 26 -0.097 0.207 -10.413 342 HB3 TYR 26 HB3 TYR 26 -0.043 -1.533 -10.291 343 HD1 TYR 26 HD1 TYR 26 -2.061 -2.938 -10.791 344 HD2 TYR 26 HD2 TYR 26 -2.058 1.336 -11.367 345 HE1 TYR 26 HE1 TYR 26 -4.083 -3.127 -12.227 346 HE2 TYR 26 HE2 TYR 26 -4.078 1.147 -12.807 347 HH TYR 26 HH TYR 26 -5.631 -0.265 -13.741 348 H THR 27 H THR 27 0.245 1.045 -7.050 349 HA THR 27 HA THR 27 -2.064 2.639 -6.350 350 HB THR 27 HB THR 27 -0.527 3.728 -4.752 351 HG1 THR 27 HG1 THR 27 1.385 3.590 -5.865 352 HG21 THR 27 HG21 THR 27 -0.251 0.684 -4.758 353 HG22 THR 27 HG22 THR 27 -1.701 1.569 -4.232 354 HG23 THR 27 HG23 THR 27 -0.191 1.780 -3.355 355 H LYS 28 H LYS 28 -2.190 3.156 -8.738 356 HA LYS 28 HA LYS 28 -2.240 4.663 -10.441 357 HB2 LYS 28 HB2 LYS 28 -3.544 5.644 -8.525 358 HB3 LYS 28 HB3 LYS 28 -2.187 6.737 -8.233 359 HG2 LYS 28 HG2 LYS 28 -2.431 7.609 -10.588 360 HG3 LYS 28 HG3 LYS 28 -3.771 6.473 -10.835 361 HD2 LYS 28 HD2 LYS 28 -5.054 7.577 -9.036 362 HD3 LYS 28 HD3 LYS 28 -3.707 8.712 -8.763 363 HE2 LYS 28 HE2 LYS 28 -3.910 9.500 -11.107 364 HE3 LYS 28 HE3 LYS 28 -5.254 8.387 -11.379 365 HZ1 LYS 28 HZ1 LYS 28 -6.505 9.586 -9.660 366 HZ2 LYS 28 HZ2 LYS 28 -6.057 10.611 -10.846 367 HZ3 LYS 28 HZ3 LYS 28 -5.264 10.620 -9.418 368 HA PRO 29 HA PRO 29 2.257 5.782 -10.850 369 HB2 PRO 29 HB2 PRO 29 2.787 4.283 -13.083 370 HB3 PRO 29 HB3 PRO 29 2.889 3.627 -11.424 371 HG2 PRO 29 HG2 PRO 29 0.578 3.397 -13.370 372 HG3 PRO 29 HG3 PRO 29 1.350 2.096 -12.411 373 HD2 PRO 29 HD2 PRO 29 -0.932 3.328 -11.601 374 HD3 PRO 29 HD3 PRO 29 0.305 2.820 -10.420 375 H THR 30 H THR 30 -0.601 5.742 -12.878 376 HA THR 30 HA THR 30 0.103 8.317 -14.087 377 HB THR 30 HB THR 30 0.993 6.711 -15.701 378 HG1 THR 30 HG1 THR 30 0.145 8.621 -16.461 379 HG21 THR 30 HG21 THR 30 -1.848 5.666 -16.060 380 HG22 THR 30 HG22 THR 30 -0.492 4.764 -15.342 381 HG23 THR 30 HG23 THR 30 -0.421 5.253 -17.036 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 2.850 5.850 -2.481 2 H2 GLY 1 H2 GLY 1 2.770 4.639 -1.384 3 H3 GLY 1 H3 GLY 1 1.398 5.384 -1.880 4 HA2 GLY 1 HA2 GLY 1 1.584 3.204 -2.913 5 HA3 GLY 1 HA3 GLY 1 1.638 4.517 -4.115 6 H ILE 2 H ILE 2 2.666 1.950 -4.668 7 HA ILE 2 HA ILE 2 5.328 1.544 -3.934 8 HB ILE 2 HB ILE 2 3.794 -0.175 -4.714 9 HG12 ILE 2 HG12 ILE 2 6.416 -0.022 -6.260 10 HG13 ILE 2 HG13 ILE 2 6.212 -0.514 -4.580 11 HG21 ILE 2 HG21 ILE 2 3.373 -0.528 -7.104 12 HG22 ILE 2 HG22 ILE 2 2.719 1.009 -6.563 13 HG23 ILE 2 HG23 ILE 2 4.214 0.991 -7.498 14 HD11 ILE 2 HD11 ILE 2 5.616 -1.966 -7.117 15 HD12 ILE 2 HD12 ILE 2 6.353 -2.500 -5.588 16 HD13 ILE 2 HD13 ILE 2 4.586 -2.301 -5.703 17 H VAL 3 H VAL 3 4.237 3.669 -6.523 18 HA VAL 3 HA VAL 3 6.668 3.813 -7.999 19 HB VAL 3 HB VAL 3 4.567 5.930 -7.426 20 HG11 VAL 3 HG11 VAL 3 5.384 7.069 -9.472 21 HG12 VAL 3 HG12 VAL 3 6.595 7.089 -8.192 22 HG13 VAL 3 HG13 VAL 3 6.761 5.945 -9.548 23 HG21 VAL 3 HG21 VAL 3 3.758 5.347 -9.695 24 HG22 VAL 3 HG22 VAL 3 5.013 4.090 -9.818 25 HG23 VAL 3 HG23 VAL 3 3.698 3.949 -8.623 26 H GLU 4 H GLU 4 5.814 5.141 -4.857 27 HA GLU 4 HA GLU 4 8.232 6.750 -4.535 28 HB2 GLU 4 HB2 GLU 4 6.144 5.921 -2.489 29 HB3 GLU 4 HB3 GLU 4 7.349 7.193 -2.304 30 HG2 GLU 4 HG2 GLU 4 6.304 8.562 -4.009 31 HG3 GLU 4 HG3 GLU 4 5.161 7.284 -4.426 32 H GLN 5 H GLN 5 7.956 3.512 -4.692 33 HA GLN 5 HA GLN 5 9.985 2.925 -2.564 34 HB2 GLN 5 HB2 GLN 5 7.678 1.158 -3.522 35 HB3 GLN 5 HB3 GLN 5 8.927 0.680 -2.390 36 HG2 GLN 5 HG2 GLN 5 7.024 3.016 -1.871 37 HG3 GLN 5 HG3 GLN 5 6.753 1.374 -1.325 38 HE21 GLN 5 HE21 GLN 5 8.999 4.169 -0.919 39 HE22 GLN 5 HE22 GLN 5 9.548 3.626 0.667 40 H CYS 6 H CYS 6 8.738 1.871 -5.744 41 HA CYS 6 HA CYS 6 11.296 0.434 -6.259 42 HB2 CYS 6 HB2 CYS 6 8.498 0.269 -7.414 43 HB3 CYS 6 HB3 CYS 6 9.864 -0.577 -8.108 44 H CYS 7 H CYS 7 9.537 3.230 -7.525 45 HA CYS 7 HA CYS 7 11.268 3.249 -9.941 46 HB2 CYS 7 HB2 CYS 7 8.913 3.560 -10.273 47 HB3 CYS 7 HB3 CYS 7 8.874 4.918 -9.161 48 H THR 8 H THR 8 10.418 5.540 -7.262 49 HA THR 8 HA THR 8 12.550 7.366 -7.922 50 HB THR 8 HB THR 8 10.418 7.886 -6.698 51 HG1 THR 8 HG1 THR 8 11.418 9.477 -5.485 52 HG21 THR 8 HG21 THR 8 11.943 6.963 -4.223 53 HG22 THR 8 HG22 THR 8 10.578 6.081 -4.952 54 HG23 THR 8 HG23 THR 8 10.335 7.710 -4.291 55 H SER 9 H SER 9 12.544 4.463 -6.051 56 HA SER 9 HA SER 9 15.447 4.668 -5.452 57 HB2 SER 9 HB2 SER 9 13.272 3.803 -3.503 58 HB3 SER 9 HB3 SER 9 15.010 3.624 -3.239 59 HG SER 9 HG SER 9 15.209 5.903 -3.305 60 H ILE 10 H ILE 10 16.377 2.470 -5.037 61 HA ILE 10 HA ILE 10 15.230 0.372 -6.700 62 HB ILE 10 HB ILE 10 17.562 0.388 -4.740 63 HG12 ILE 10 HG12 ILE 10 17.319 0.500 -7.776 64 HG13 ILE 10 HG13 ILE 10 17.962 1.737 -6.691 65 HG21 ILE 10 HG21 ILE 10 16.674 -1.855 -6.606 66 HG22 ILE 10 HG22 ILE 10 18.185 -1.815 -5.661 67 HG23 ILE 10 HG23 ILE 10 16.662 -1.906 -4.824 68 HD11 ILE 10 HD11 ILE 10 19.273 -0.904 -7.423 69 HD12 ILE 10 HD12 ILE 10 19.799 0.730 -7.829 70 HD13 ILE 10 HD13 ILE 10 19.869 0.184 -6.144 71 H CYS 11 H CYS 11 14.088 -1.408 -6.157 72 HA CYS 11 HA CYS 11 13.541 -1.991 -3.295 73 HB2 CYS 11 HB2 CYS 11 11.253 -2.366 -3.652 74 HB3 CYS 11 HB3 CYS 11 11.605 -0.825 -4.405 75 H SER 12 H SER 12 12.540 -4.281 -3.124 76 HA SER 12 HA SER 12 13.923 -6.206 -4.931 77 HB2 SER 12 HB2 SER 12 15.263 -5.763 -2.854 78 HB3 SER 12 HB3 SER 12 13.912 -6.397 -1.905 79 HG SER 12 HG SER 12 15.669 -7.917 -2.550 80 H LEU 13 H LEU 13 13.139 -8.444 -4.618 81 HA LEU 13 HA LEU 13 10.391 -8.825 -4.849 82 HB2 LEU 13 HB2 LEU 13 10.846 -11.143 -4.851 83 HB3 LEU 13 HB3 LEU 13 12.158 -10.311 -5.645 84 HG LEU 13 HG LEU 13 13.320 -10.493 -3.224 85 HD11 LEU 13 HD11 LEU 13 12.759 -12.659 -2.166 86 HD12 LEU 13 HD12 LEU 13 11.406 -12.877 -3.290 87 HD13 LEU 13 HD13 LEU 13 11.377 -11.572 -2.086 88 HD21 LEU 13 HD21 LEU 13 14.217 -11.491 -5.269 89 HD22 LEU 13 HD22 LEU 13 13.047 -12.820 -5.171 90 HD23 LEU 13 HD23 LEU 13 14.323 -12.642 -3.935 91 H TYR 14 H TYR 14 12.305 -8.705 -1.884 92 HA TYR 14 HA TYR 14 10.245 -9.732 -0.130 93 HB2 TYR 14 HB2 TYR 14 12.655 -7.984 0.475 94 HB3 TYR 14 HB3 TYR 14 11.702 -8.870 1.660 95 HD1 TYR 14 HD2 TYR 14 11.575 -11.440 1.481 96 HD2 TYR 14 HD1 TYR 14 14.500 -9.063 -0.629 97 HE1 TYR 14 HE2 TYR 14 12.990 -13.462 1.158 98 HE2 TYR 14 HE1 TYR 14 15.902 -11.086 -0.963 99 HH TYR 14 HH TYR 14 14.920 -14.314 0.267 100 H GLN 15 H GLN 15 10.680 -6.630 -1.596 101 HA GLN 15 HA GLN 15 8.634 -5.337 0.178 102 HB2 GLN 15 HB2 GLN 15 10.280 -4.193 -2.104 103 HB3 GLN 15 HB3 GLN 15 9.133 -3.304 -1.107 104 HG2 GLN 15 HG2 GLN 15 11.706 -4.611 -0.115 105 HG3 GLN 15 HG3 GLN 15 11.478 -2.903 -0.439 106 HE21 GLN 15 HE21 GLN 15 12.385 -3.743 2.077 107 HE22 GLN 15 HE22 GLN 15 11.108 -3.428 3.246 108 H LEU 16 H LEU 16 9.226 -6.266 -3.234 109 HA LEU 16 HA LEU 16 6.818 -5.416 -4.357 110 HB2 LEU 16 HB2 LEU 16 8.723 -7.656 -4.981 111 HB3 LEU 16 HB3 LEU 16 7.364 -7.356 -6.032 112 HG LEU 16 HG LEU 16 9.406 -5.199 -5.338 113 HD11 LEU 16 HD11 LEU 16 10.463 -5.678 -7.500 114 HD12 LEU 16 HD12 LEU 16 9.363 -7.062 -7.748 115 HD13 LEU 16 HD13 LEU 16 10.562 -7.082 -6.436 116 HD21 LEU 16 HD21 LEU 16 7.519 -5.508 -7.711 117 HD22 LEU 16 HD22 LEU 16 8.582 -4.134 -7.383 118 HD23 LEU 16 HD23 LEU 16 7.201 -4.453 -6.325 119 H GLU 17 H GLU 17 7.330 -8.575 -2.656 120 HA GLU 17 HA GLU 17 4.756 -9.624 -3.218 121 HB2 GLU 17 HB2 GLU 17 6.660 -10.068 -0.893 122 HB3 GLU 17 HB3 GLU 17 5.074 -10.833 -0.955 123 HG2 GLU 17 HG2 GLU 17 5.785 -11.547 -3.391 124 HG3 GLU 17 HG3 GLU 17 7.418 -11.298 -2.776 125 H ASN 18 H ASN 18 5.391 -6.882 -1.202 126 HA ASN 18 HA ASN 18 3.005 -7.195 0.462 127 HB2 ASN 18 HB2 ASN 18 4.883 -4.831 0.035 128 HB3 ASN 18 HB3 ASN 18 3.564 -4.872 1.199 129 HD21 ASN 18 HD21 ASN 18 6.732 -6.043 0.442 130 HD22 ASN 18 HD22 ASN 18 7.054 -6.840 1.983 131 H TYR 19 H TYR 19 3.346 -6.389 -2.801 132 HA TYR 19 HA TYR 19 0.776 -4.848 -2.803 133 HB2 TYR 19 HB2 TYR 19 2.864 -4.882 -4.987 134 HB3 TYR 19 HB3 TYR 19 1.466 -3.829 -4.846 135 HD1 TYR 19 HD2 TYR 19 1.437 -2.001 -3.081 136 HD2 TYR 19 HD1 TYR 19 4.910 -4.398 -3.954 137 HE1 TYR 19 HE2 TYR 19 2.820 -0.486 -1.684 138 HE2 TYR 19 HE1 TYR 19 6.308 -2.883 -2.520 139 HH TYR 19 HH TYR 19 4.871 -0.111 -0.758 140 H CYS 20 H CYS 20 1.603 -7.979 -3.107 141 HA CYS 20 HA CYS 20 0.274 -8.639 -5.592 142 HB2 CYS 20 HB2 CYS 20 0.978 -10.444 -3.281 143 HB3 CYS 20 HB3 CYS 20 0.431 -10.941 -4.889 144 H ASN 21 H ASN 21 -1.599 -9.926 -5.809 145 HA ASN 21 HA ASN 21 -3.984 -9.023 -4.471 146 HB2 ASN 21 HB2 ASN 21 -3.952 -9.636 -6.838 147 HB3 ASN 21 HB3 ASN 21 -3.299 -11.224 -6.442 148 HD21 ASN 21 HD21 ASN 21 -4.833 -12.483 -7.360 149 HD22 ASN 21 HD22 ASN 21 -6.525 -12.479 -6.841 150 H1 PHE 1 H1 PHE 1 14.882 -13.632 -10.436 151 H2 PHE 1 H2 PHE 1 16.371 -13.420 -9.781 152 H3 PHE 1 H3 PHE 1 16.086 -12.957 -11.318 153 HA PHE 1 HA PHE 1 14.546 -11.259 -10.604 154 HB2 PHE 1 HB2 PHE 1 13.758 -12.412 -8.579 155 HB3 PHE 1 HB3 PHE 1 15.322 -12.152 -7.807 156 HD1 PHE 1 HD1 PHE 1 12.332 -10.414 -9.242 157 HD2 PHE 1 HD2 PHE 1 15.823 -10.054 -6.726 158 HE1 PHE 1 HE1 PHE 1 11.627 -8.139 -8.572 159 HE2 PHE 1 HE2 PHE 1 15.100 -7.793 -6.041 160 HZ PHE 1 HZ PHE 1 13.024 -6.796 -7.012 161 H VAL 2 H VAL 2 15.318 -9.128 -10.358 162 HA VAL 2 HA VAL 2 18.086 -8.683 -9.432 163 HB VAL 2 HB VAL 2 18.571 -7.133 -11.284 164 HG11 VAL 2 HG11 VAL 2 19.475 -9.446 -11.267 165 HG12 VAL 2 HG12 VAL 2 18.107 -9.969 -12.278 166 HG13 VAL 2 HG13 VAL 2 19.275 -8.789 -12.901 167 HG21 VAL 2 HG21 VAL 2 16.312 -6.691 -12.163 168 HG22 VAL 2 HG22 VAL 2 17.392 -7.280 -13.430 169 HG23 VAL 2 HG23 VAL 2 16.186 -8.375 -12.719 170 H ASN 3 H ASN 3 18.479 -6.628 -8.597 171 HA ASN 3 HA ASN 3 16.058 -5.053 -7.914 172 HB2 ASN 3 HB2 ASN 3 17.300 -4.152 -6.090 173 HB3 ASN 3 HB3 ASN 3 17.412 -5.895 -6.044 174 HD21 ASN 3 HD21 ASN 3 19.481 -6.895 -6.467 175 HD22 ASN 3 HD22 ASN 3 20.947 -5.926 -6.503 176 H GLN 4 H GLN 4 15.745 -3.030 -8.605 177 HA GLN 4 HA GLN 4 17.688 -1.482 -10.183 178 HB2 GLN 4 HB2 GLN 4 17.027 -3.364 -11.670 179 HB3 GLN 4 HB3 GLN 4 15.333 -2.979 -11.433 180 HG2 GLN 4 HG2 GLN 4 15.611 -0.884 -12.706 181 HG3 GLN 4 HG3 GLN 4 17.359 -1.169 -12.819 182 HE21 GLN 4 HE21 GLN 4 18.033 -3.174 -14.090 183 HE22 GLN 4 HE22 GLN 4 16.952 -3.700 -15.373 184 H HIS 5 H HIS 5 16.616 0.518 -11.115 185 HA HIS 5 HA HIS 5 14.410 1.604 -9.459 186 HB2 HIS 5 HB2 HIS 5 16.151 2.733 -11.663 187 HB3 HIS 5 HB3 HIS 5 14.654 3.523 -11.175 188 HD1 HIS 5 HD1 HIS 5 14.783 5.105 -9.167 189 HD2 HIS 5 HD2 HIS 5 17.918 2.321 -9.414 190 HE1 HIS 5 HE1 HIS 5 16.511 5.815 -7.399 191 H LEU 6 H LEU 6 12.920 0.035 -9.942 192 HA LEU 6 HA LEU 6 11.981 -0.599 -12.643 193 HB2 LEU 6 HB2 LEU 6 10.967 -1.282 -9.861 194 HB3 LEU 6 HB3 LEU 6 10.352 -1.984 -11.353 195 HG LEU 6 HG LEU 6 13.233 -2.302 -10.403 196 HD11 LEU 6 HD11 LEU 6 12.502 -4.593 -9.748 197 HD12 LEU 6 HD12 LEU 6 10.817 -4.089 -10.030 198 HD13 LEU 6 HD13 LEU 6 11.783 -3.313 -8.770 199 HD21 LEU 6 HD21 LEU 6 11.604 -3.753 -12.525 200 HD22 LEU 6 HD22 LEU 6 13.231 -4.217 -11.986 201 HD23 LEU 6 HD23 LEU 6 12.992 -2.670 -12.805 202 H CYS 7 H CYS 7 11.211 1.273 -13.563 203 HA CYS 7 HA CYS 7 8.882 2.651 -12.300 204 HB2 CYS 7 HB2 CYS 7 10.750 3.462 -14.534 205 HB3 CYS 7 HB3 CYS 7 9.357 4.403 -14.024 206 H GLY 8 H GLY 8 6.903 2.710 -13.268 207 HA2 GLY 8 HA2 GLY 8 5.168 2.220 -14.713 208 HA3 GLY 8 HA3 GLY 8 6.325 2.582 -15.984 209 H SER 9 H SER 9 6.686 0.977 -17.427 210 HA SER 9 HA SER 9 5.444 -1.568 -17.369 211 HB2 SER 9 HB2 SER 9 7.912 -0.746 -18.932 212 HB3 SER 9 HB3 SER 9 6.796 -2.068 -19.316 213 HG SER 9 HG SER 9 5.162 -0.542 -19.691 214 H HIS 10 H HIS 10 8.686 -0.577 -16.238 215 HA HIS 10 HA HIS 10 9.697 -3.288 -15.880 216 HB2 HIS 10 HB2 HIS 10 10.549 -0.623 -14.669 217 HB3 HIS 10 HB3 HIS 10 11.365 -2.152 -14.399 218 HD1 HIS 10 HD1 HIS 10 13.540 -2.198 -15.756 219 HD2 HIS 10 HD2 HIS 10 10.369 -0.176 -17.645 220 HE1 HIS 10 HE1 HIS 10 14.424 -1.445 -18.013 221 H LEU 11 H LEU 11 7.947 -0.934 -13.865 222 HA LEU 11 HA LEU 11 8.188 -2.328 -11.360 223 HB2 LEU 11 HB2 LEU 11 7.623 0.083 -11.696 224 HB3 LEU 11 HB3 LEU 11 6.035 -0.360 -12.265 225 HG LEU 11 HG LEU 11 6.950 -1.350 -9.548 226 HD11 LEU 11 HD11 LEU 11 7.442 1.099 -9.637 227 HD12 LEU 11 HD12 LEU 11 6.152 0.694 -8.510 228 HD13 LEU 11 HD13 LEU 11 5.747 1.398 -10.091 229 HD21 LEU 11 HD21 LEU 11 4.235 -0.505 -10.675 230 HD22 LEU 11 HD22 LEU 11 4.536 -1.071 -9.027 231 HD23 LEU 11 HD23 LEU 11 4.765 -2.174 -10.373 232 H VAL 12 H VAL 12 5.547 -2.302 -13.832 233 HA VAL 12 HA VAL 12 3.993 -4.210 -12.308 234 HB VAL 12 HB VAL 12 2.573 -4.423 -14.262 235 HG11 VAL 12 HG11 VAL 12 3.238 -1.521 -13.590 236 HG12 VAL 12 HG12 VAL 12 1.682 -2.153 -14.178 237 HG13 VAL 12 HG13 VAL 12 2.281 -2.620 -12.574 238 HG21 VAL 12 HG21 VAL 12 4.414 -2.449 -15.640 239 HG22 VAL 12 HG22 VAL 12 4.145 -4.141 -16.125 240 HG23 VAL 12 HG23 VAL 12 2.826 -2.972 -16.220 241 H GLU 13 H GLU 13 6.318 -4.631 -14.980 242 HA GLU 13 HA GLU 13 5.812 -7.434 -15.347 243 HB2 GLU 13 HB2 GLU 13 7.004 -5.999 -16.964 244 HB3 GLU 13 HB3 GLU 13 8.363 -5.844 -15.835 245 HG2 GLU 13 HG2 GLU 13 8.781 -8.269 -15.966 246 HG3 GLU 13 HG3 GLU 13 7.342 -8.487 -16.972 247 H ALA 14 H ALA 14 8.185 -5.709 -13.228 248 HA ALA 14 HA ALA 14 9.315 -8.113 -12.143 249 HB1 ALA 14 HB1 ALA 14 9.208 -5.240 -11.164 250 HB2 ALA 14 HB2 ALA 14 10.279 -6.509 -10.503 251 HB3 ALA 14 HB3 ALA 14 10.475 -5.956 -12.188 252 H LEU 15 H LEU 15 6.699 -5.901 -10.938 253 HA LEU 15 HA LEU 15 6.273 -7.342 -8.502 254 HB2 LEU 15 HB2 LEU 15 5.584 -5.040 -8.738 255 HB3 LEU 15 HB3 LEU 15 4.591 -5.423 -10.154 256 HG LEU 15 HG LEU 15 3.030 -6.630 -8.786 257 HD11 LEU 15 HD11 LEU 15 4.576 -7.476 -7.004 258 HD12 LEU 15 HD12 LEU 15 3.176 -6.653 -6.334 259 HD13 LEU 15 HD13 LEU 15 4.749 -5.821 -6.402 260 HD21 LEU 15 HD21 LEU 15 2.181 -4.681 -7.475 261 HD22 LEU 15 HD22 LEU 15 2.781 -4.191 -9.071 262 HD23 LEU 15 HD23 LEU 15 3.759 -3.892 -7.624 263 H TYR 16 H TYR 16 4.788 -7.725 -11.785 264 HA TYR 16 HA TYR 16 3.035 -9.874 -10.993 265 HB2 TYR 16 HB2 TYR 16 2.837 -8.443 -13.056 266 HB3 TYR 16 HB3 TYR 16 4.238 -9.269 -13.727 267 HD1 TYR 16 HD2 TYR 16 0.682 -9.578 -12.718 268 HD2 TYR 16 HD1 TYR 16 4.017 -11.589 -14.580 269 HE1 TYR 16 HE2 TYR 16 -0.860 -11.327 -13.575 270 HE2 TYR 16 HE1 TYR 16 2.465 -13.348 -15.430 271 HH TYR 16 HH TYR 16 -1.067 -13.239 -14.809 272 H LEU 17 H LEU 17 6.411 -9.892 -12.226 273 HA LEU 17 HA LEU 17 6.693 -12.733 -12.338 274 HB2 LEU 17 HB2 LEU 17 8.218 -11.123 -13.392 275 HB3 LEU 17 HB3 LEU 17 8.702 -10.510 -11.813 276 HG LEU 17 HG LEU 17 9.742 -12.700 -11.272 277 HD11 LEU 17 HD11 LEU 17 9.004 -13.417 -14.141 278 HD12 LEU 17 HD12 LEU 17 8.398 -14.217 -12.675 279 HD13 LEU 17 HD13 LEU 17 10.107 -14.347 -13.102 280 HD21 LEU 17 HD21 LEU 17 11.642 -12.482 -12.812 281 HD22 LEU 17 HD22 LEU 17 11.066 -10.889 -12.294 282 HD23 LEU 17 HD23 LEU 17 10.655 -11.493 -13.916 283 H VAL 18 H VAL 18 7.074 -10.453 -9.616 284 HA VAL 18 HA VAL 18 8.006 -12.532 -7.760 285 HB VAL 18 HB VAL 18 7.256 -9.611 -7.427 286 HG11 VAL 18 HG11 VAL 18 6.678 -10.629 -5.313 287 HG12 VAL 18 HG12 VAL 18 8.178 -11.599 -5.308 288 HG13 VAL 18 HG13 VAL 18 8.236 -9.846 -5.116 289 HG21 VAL 18 HG21 VAL 18 9.679 -9.400 -6.978 290 HG22 VAL 18 HG22 VAL 18 9.889 -11.154 -7.176 291 HG23 VAL 18 HG23 VAL 18 9.432 -10.140 -8.554 292 H CYS 19 H CYS 19 4.855 -10.939 -8.410 293 HA CYS 19 HA CYS 19 3.465 -12.495 -6.410 294 HB2 CYS 19 HB2 CYS 19 2.440 -11.050 -8.875 295 HB3 CYS 19 HB3 CYS 19 1.438 -11.707 -7.571 296 H GLY 20 H GLY 20 4.656 -13.261 -9.609 297 HA2 GLY 20 HA2 GLY 20 4.715 -15.203 -10.756 298 HA3 GLY 20 HA3 GLY 20 4.486 -16.025 -9.200 299 H GLU 21 H GLU 21 2.504 -14.088 -11.444 300 HA GLU 21 HA GLU 21 0.461 -14.275 -12.319 301 HB2 GLU 21 HB2 GLU 21 0.608 -17.282 -11.998 302 HB3 GLU 21 HB3 GLU 21 -0.421 -16.360 -13.087 303 HG2 GLU 21 HG2 GLU 21 1.586 -15.527 -14.295 304 HG3 GLU 21 HG3 GLU 21 2.619 -16.492 -13.243 305 H ARG 22 H ARG 22 0.777 -14.599 -9.086 306 HA ARG 22 HA ARG 22 -1.986 -15.221 -8.357 307 HB2 ARG 22 HB2 ARG 22 0.181 -13.597 -6.941 308 HB3 ARG 22 HB3 ARG 22 -1.411 -13.885 -6.262 309 HG2 ARG 22 HG2 ARG 22 -1.094 -16.277 -6.225 310 HG3 ARG 22 HG3 ARG 22 0.475 -16.155 -7.034 311 HD2 ARG 22 HD2 ARG 22 -0.129 -14.830 -4.357 312 HD3 ARG 22 HD3 ARG 22 0.491 -16.485 -4.494 313 HE ARG 22 HE ARG 22 2.217 -14.928 -6.032 314 HH11 ARG 22 HH11 ARG 22 1.416 -14.979 -2.600 315 HH12 ARG 22 HH12 ARG 22 3.020 -14.426 -2.160 316 HH21 ARG 22 HH21 ARG 22 4.289 -14.286 -5.295 317 HH22 ARG 22 HH22 ARG 22 4.504 -14.054 -3.572 318 H GLY 23 H GLY 23 -0.512 -12.445 -9.773 319 HA2 GLY 23 HA2 GLY 23 -1.564 -10.515 -10.654 320 HA3 GLY 23 HA3 GLY 23 -3.018 -10.851 -9.713 321 H PHE 24 H PHE 24 -2.096 -8.307 -9.724 322 HA PHE 24 HA PHE 24 -1.062 -7.936 -6.973 323 HB2 PHE 24 HB2 PHE 24 0.519 -6.260 -7.651 324 HB3 PHE 24 HB3 PHE 24 0.878 -7.826 -8.331 325 HD1 PHE 24 HD1 PHE 24 0.585 -8.278 -10.769 326 HD2 PHE 24 HD2 PHE 24 0.121 -4.355 -9.074 327 HE1 PHE 24 HE1 PHE 24 0.698 -7.263 -13.043 328 HE2 PHE 24 HE2 PHE 24 0.216 -3.347 -11.348 329 HZ PHE 24 HZ PHE 24 0.465 -4.813 -13.334 330 H PHE 25 H PHE 25 -1.915 -5.554 -9.491 331 HA PHE 25 HA PHE 25 -2.951 -3.550 -9.284 332 HB2 PHE 25 HB2 PHE 25 -4.863 -5.093 -9.514 333 HB3 PHE 25 HB3 PHE 25 -5.022 -5.171 -7.772 334 HD1 PHE 25 HD1 PHE 25 -4.720 -2.465 -10.414 335 HD2 PHE 25 HD2 PHE 25 -6.787 -3.917 -6.917 336 HE1 PHE 25 HE1 PHE 25 -6.265 -0.526 -10.523 337 HE2 PHE 25 HE2 PHE 25 -8.363 -1.998 -7.057 338 HZ PHE 25 HZ PHE 25 -8.098 -0.294 -8.856 339 H TYR 26 H TYR 26 -1.116 -2.870 -8.082 340 HA TYR 26 HA TYR 26 -0.683 -3.119 -5.371 341 HB2 TYR 26 HB2 TYR 26 0.938 -1.227 -5.682 342 HB3 TYR 26 HB3 TYR 26 1.110 -2.585 -6.764 343 HD1 TYR 26 HD2 TYR 26 -0.220 0.926 -6.619 344 HD2 TYR 26 HD1 TYR 26 1.145 -2.319 -9.104 345 HE1 TYR 26 HE2 TYR 26 -0.194 2.444 -8.580 346 HE2 TYR 26 HE1 TYR 26 1.185 -0.795 -11.073 347 HH TYR 26 HH TYR 26 0.776 1.324 -11.851 348 H THR 27 H THR 27 -2.397 -0.380 -6.848 349 HA THR 27 HA THR 27 -3.620 0.258 -4.249 350 HB THR 27 HB THR 27 -3.236 2.663 -4.415 351 HG1 THR 27 HG1 THR 27 -1.747 3.500 -5.821 352 HG21 THR 27 HG21 THR 27 -0.547 1.250 -4.349 353 HG22 THR 27 HG22 THR 27 -1.689 1.365 -2.997 354 HG23 THR 27 HG23 THR 27 -0.963 2.835 -3.663 355 H LYS 28 H LYS 28 -5.275 1.981 -4.498 356 HA LYS 28 HA LYS 28 -6.653 2.022 -7.115 357 HB2 LYS 28 HB2 LYS 28 -8.749 1.201 -6.200 358 HB3 LYS 28 HB3 LYS 28 -7.470 0.021 -5.945 359 HG2 LYS 28 HG2 LYS 28 -7.248 0.859 -3.562 360 HG3 LYS 28 HG3 LYS 28 -8.667 1.883 -3.856 361 HD2 LYS 28 HD2 LYS 28 -10.022 -0.144 -4.357 362 HD3 LYS 28 HD3 LYS 28 -8.586 -1.150 -4.143 363 HE2 LYS 28 HE2 LYS 28 -9.668 -1.373 -2.097 364 HE3 LYS 28 HE3 LYS 28 -8.401 -0.195 -1.773 365 HZ1 LYS 28 HZ1 LYS 28 -10.502 0.536 -0.827 366 HZ2 LYS 28 HZ2 LYS 28 -11.277 0.417 -2.256 367 HZ3 LYS 28 HZ3 LYS 28 -10.143 1.576 -2.037 368 HA PRO 29 HA PRO 29 -7.553 6.158 -5.810 369 HB2 PRO 29 HB2 PRO 29 -9.609 6.894 -7.435 370 HB3 PRO 29 HB3 PRO 29 -7.968 6.539 -8.054 371 HG2 PRO 29 HG2 PRO 29 -10.365 4.679 -7.963 372 HG3 PRO 29 HG3 PRO 29 -9.306 5.035 -9.364 373 HD2 PRO 29 HD2 PRO 29 -8.929 2.844 -7.791 374 HD3 PRO 29 HD3 PRO 29 -7.541 3.754 -8.465 375 H THR 30 H THR 30 -10.104 3.761 -5.546 376 HA THR 30 HA THR 30 -12.052 5.380 -4.169 377 HB THR 30 HB THR 30 -11.853 2.355 -4.315 378 HG1 THR 30 HG1 THR 30 -13.159 2.621 -6.144 379 HG21 THR 30 HG21 THR 30 -13.547 3.158 -2.694 380 HG22 THR 30 HG22 THR 30 -14.328 2.469 -4.120 381 HG23 THR 30 HG23 THR 30 -14.234 4.234 -3.927
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