NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
644079 | 6q1x | 30651 | 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 1.811 -0.001 0.854 2 HA2 GLY 1 HA2 GLY 1 3.056 -0.406 -1.069 3 HA3 GLY 1 HA3 GLY 1 1.557 -0.627 -1.959 4 H VAL 2 H VAL 2 3.599 1.864 -0.473 5 HA VAL 2 HA VAL 2 3.204 3.561 -2.790 6 HB VAL 2 HB VAL 2 2.649 5.544 -1.291 7 HG11 VAL 2 HG11 VAL 2 0.398 3.577 -1.311 8 HG12 VAL 2 HG12 VAL 2 0.387 5.299 -1.695 9 HG13 VAL 2 HG13 VAL 2 1.087 4.145 -2.831 10 HG21 VAL 2 HG21 VAL 2 1.364 4.920 0.772 11 HG22 VAL 2 HG22 VAL 2 2.003 3.285 0.597 12 HG23 VAL 2 HG23 VAL 2 3.103 4.638 0.867 13 H LEU 3 H LEU 3 4.532 3.342 0.498 14 HA LEU 3 HA LEU 3 7.191 3.669 -0.264 15 HB2 LEU 3 HB2 LEU 3 6.828 5.883 -0.906 16 HB3 LEU 3 HB3 LEU 3 5.739 6.191 0.446 17 HG LEU 3 HG LEU 3 7.628 6.204 1.984 18 HD11 LEU 3 HD11 LEU 3 8.938 4.845 -0.111 19 HD12 LEU 3 HD12 LEU 3 9.565 5.254 1.485 20 HD13 LEU 3 HD13 LEU 3 9.794 6.367 0.137 21 HD21 LEU 3 HD21 LEU 3 7.325 8.366 1.385 22 HD22 LEU 3 HD22 LEU 3 7.477 8.028 -0.339 23 HD23 LEU 3 HD23 LEU 3 8.921 8.141 0.669 24 H GLY 4 H GLY 4 8.541 3.237 1.423 25 HA2 GLY 4 HA2 GLY 4 8.597 3.800 3.997 26 HA3 GLY 4 HA3 GLY 4 7.242 2.682 3.983 27 H ASN 5 H ASN 5 7.968 0.876 4.918 28 HA ASN 5 HA ASN 5 10.326 -0.408 3.730 29 HB2 ASN 5 HB2 ASN 5 11.072 0.604 5.824 30 HB3 ASN 5 HB3 ASN 5 9.759 -0.184 6.694 31 HD21 ASN 5 HD21 ASN 5 11.264 -1.187 8.057 32 HD22 ASN 5 HD22 ASN 5 12.193 -2.546 7.531 33 H ASP 6 H ASP 6 7.810 -1.025 6.187 34 HA ASP 6 HA ASP 6 7.655 -3.777 5.843 35 HB2 ASP 6 HB2 ASP 6 6.514 -2.135 7.573 36 HB3 ASP 6 HB3 ASP 6 5.163 -2.241 6.448 37 H ALA 7 H ALA 7 5.435 -4.809 5.105 38 HA ALA 7 HA ALA 7 4.967 -3.879 2.348 39 HB1 ALA 7 HB1 ALA 7 4.664 -6.690 3.391 40 HB2 ALA 7 HB2 ALA 7 4.558 -6.157 1.712 41 HB3 ALA 7 HB3 ALA 7 6.099 -6.079 2.567 42 H GLU 8 H GLU 8 3.041 -2.991 2.044 43 HA GLU 8 HA GLU 8 0.919 -3.249 3.935 44 HB2 GLU 8 HB2 GLU 8 -0.200 -1.631 2.697 45 HB3 GLU 8 HB3 GLU 8 1.487 -1.258 2.375 46 HG2 GLU 8 HG2 GLU 8 1.363 -2.389 0.239 47 HG3 GLU 8 HG3 GLU 8 -0.305 -2.860 0.564 48 H GLY 9 H GLY 9 1.902 -5.064 1.225 49 HA2 GLY 9 HA2 GLY 9 0.357 -7.225 1.463 50 HA3 GLY 9 HA3 GLY 9 -0.750 -6.120 0.662 51 H ILE 10 H ILE 10 1.776 -4.945 -0.665 52 HA ILE 10 HA ILE 10 1.660 -6.715 -2.969 53 HB ILE 10 HB ILE 10 3.335 -4.241 -2.914 54 HG12 ILE 10 HG12 ILE 10 1.270 -3.512 -1.867 55 HG13 ILE 10 HG13 ILE 10 1.326 -2.909 -3.520 56 HG21 ILE 10 HG21 ILE 10 2.209 -6.049 -4.877 57 HG22 ILE 10 HG22 ILE 10 1.825 -4.366 -5.232 58 HG23 ILE 10 HG23 ILE 10 3.506 -4.866 -5.045 59 HD11 ILE 10 HD11 ILE 10 0.027 -5.396 -3.621 60 HD12 ILE 10 HD12 ILE 10 -0.656 -4.516 -2.253 61 HD13 ILE 10 HD13 ILE 10 -0.666 -3.792 -3.861 62 H THR 11 H THR 11 3.694 -7.188 -4.163 63 HA THR 11 HA THR 11 5.720 -8.128 -2.277 64 HB THR 11 HB THR 11 5.529 -8.787 -5.217 65 HG1 THR 11 HG1 THR 11 4.436 -10.690 -4.482 66 HG21 THR 11 HG21 THR 11 6.586 -10.928 -3.803 67 HG22 THR 11 HG22 THR 11 7.321 -9.512 -3.050 68 HG23 THR 11 HG23 THR 11 7.488 -9.775 -4.786 69 H LEU 12 H LEU 12 5.217 -5.672 -4.582 70 HA LEU 12 HA LEU 12 7.696 -5.241 -5.707 71 HB2 LEU 12 HB2 LEU 12 5.803 -3.129 -4.683 72 HB3 LEU 12 HB3 LEU 12 7.073 -2.893 -5.882 73 HG LEU 12 HG LEU 12 4.933 -4.888 -6.446 74 HD11 LEU 12 HD11 LEU 12 3.976 -2.629 -5.579 75 HD12 LEU 12 HD12 LEU 12 3.334 -3.347 -7.056 76 HD13 LEU 12 HD13 LEU 12 4.493 -2.021 -7.151 77 HD21 LEU 12 HD21 LEU 12 6.597 -4.826 -8.082 78 HD22 LEU 12 HD22 LEU 12 6.728 -3.069 -8.016 79 HD23 LEU 12 HD23 LEU 12 5.309 -3.821 -8.746 80 H LEU 13 H LEU 13 9.201 -3.375 -5.146 81 HA LEU 13 HA LEU 13 10.326 -3.884 -2.573 82 HB2 LEU 13 HB2 LEU 13 12.000 -3.419 -4.028 83 HB3 LEU 13 HB3 LEU 13 11.024 -2.281 -4.955 84 HG LEU 13 HG LEU 13 11.396 -0.568 -3.252 85 HD11 LEU 13 HD11 LEU 13 11.652 -1.613 -1.217 86 HD12 LEU 13 HD12 LEU 13 13.315 -1.166 -1.597 87 HD13 LEU 13 HD13 LEU 13 12.766 -2.822 -1.855 88 HD21 LEU 13 HD21 LEU 13 14.030 -1.788 -4.051 89 HD22 LEU 13 HD22 LEU 13 13.658 -0.084 -3.786 90 HD23 LEU 13 HD23 LEU 13 12.977 -0.930 -5.176 91 HA PRO 14 HA PRO 14 9.078 0.693 -1.666 92 HB2 PRO 14 HB2 PRO 14 7.435 1.916 -3.448 93 HB3 PRO 14 HB3 PRO 14 9.197 1.964 -3.577 94 HG2 PRO 14 HG2 PRO 14 7.240 0.216 -5.018 95 HG3 PRO 14 HG3 PRO 14 8.664 1.061 -5.652 96 HD2 PRO 14 HD2 PRO 14 8.683 -1.580 -5.053 97 HD3 PRO 14 HD3 PRO 14 10.120 -0.551 -4.881 98 H LEU 15 H LEU 15 7.856 -0.312 -0.056 99 HA LEU 15 HA LEU 15 4.965 -0.474 -0.605 100 HB2 LEU 15 HB2 LEU 15 6.784 -2.315 0.852 101 HB3 LEU 15 HB3 LEU 15 5.152 -2.103 1.483 102 HG LEU 15 HG LEU 15 5.599 -4.075 -0.092 103 HD11 LEU 15 HD11 LEU 15 3.372 -2.963 -1.405 104 HD12 LEU 15 HD12 LEU 15 3.357 -2.338 0.243 105 HD13 LEU 15 HD13 LEU 15 3.385 -4.079 -0.040 106 HD21 LEU 15 HD21 LEU 15 5.184 -2.054 -2.261 107 HD22 LEU 15 HD22 LEU 15 5.746 -3.722 -2.380 108 HD23 LEU 15 HD23 LEU 15 6.810 -2.477 -1.723 109 H CYS 16 H CYS 16 3.619 -0.217 1.394 110 HA CYS 16 HA CYS 16 4.303 2.215 2.692 111 HB2 CYS 16 HB2 CYS 16 1.968 1.439 2.151 112 HB3 CYS 16 HB3 CYS 16 2.111 0.288 3.476 113 H PHE 17 H PHE 17 4.623 2.595 4.931 114 HA PHE 17 HA PHE 17 6.463 0.864 6.160 115 HB2 PHE 17 HB2 PHE 17 5.002 3.330 6.974 116 HB3 PHE 17 HB3 PHE 17 5.757 2.370 8.242 117 HD1 PHE 17 HD1 PHE 17 6.248 5.143 6.367 118 HD2 PHE 17 HD2 PHE 17 8.243 1.511 7.340 119 HE1 PHE 17 HE1 PHE 17 8.413 6.203 5.870 120 HE2 PHE 17 HE2 PHE 17 10.411 2.565 6.845 121 HZ PHE 17 HZ PHE 17 10.498 4.914 6.110 122 H LYS 18 H LYS 18 6.162 0.070 8.475 123 HA LYS 18 HA LYS 18 4.105 -1.879 8.492 124 HB2 LYS 18 HB2 LYS 18 5.890 -2.652 9.686 125 HB3 LYS 18 HB3 LYS 18 6.303 -1.059 10.306 126 HG2 LYS 18 HG2 LYS 18 4.678 -1.188 12.007 127 HG3 LYS 18 HG3 LYS 18 3.902 -2.588 11.263 128 HD2 LYS 18 HD2 LYS 18 6.155 -3.771 11.620 129 HD3 LYS 18 HD3 LYS 18 6.522 -2.441 12.721 130 HE2 LYS 18 HE2 LYS 18 4.703 -2.994 14.136 131 HE3 LYS 18 HE3 LYS 18 4.024 -4.104 12.946 132 HZ1 LYS 18 HZ1 LYS 18 6.725 -4.632 13.947 133 HZ2 LYS 18 HZ2 LYS 18 5.525 -5.719 13.457 134 HZ3 LYS 18 HZ3 LYS 18 5.419 -4.969 14.970 135 HA PRO 19 HA PRO 19 2.163 0.749 12.050 136 HB2 PRO 19 HB2 PRO 19 3.171 3.237 12.455 137 HB3 PRO 19 HB3 PRO 19 3.799 1.802 13.273 138 HG2 PRO 19 HG2 PRO 19 4.864 3.228 10.866 139 HG3 PRO 19 HG3 PRO 19 5.744 2.574 12.259 140 HD2 PRO 19 HD2 PRO 19 5.603 1.278 9.886 141 HD3 PRO 19 HD3 PRO 19 5.697 0.421 11.437 142 H ILE 20 H ILE 20 3.452 2.919 9.528 143 HA ILE 20 HA ILE 20 1.274 4.612 9.284 144 HB ILE 20 HB ILE 20 3.043 3.683 7.019 145 HG12 ILE 20 HG12 ILE 20 4.407 4.480 8.867 146 HG13 ILE 20 HG13 ILE 20 4.415 5.673 7.572 147 HG21 ILE 20 HG21 ILE 20 2.513 5.857 6.026 148 HG22 ILE 20 HG22 ILE 20 1.063 4.884 6.271 149 HG23 ILE 20 HG23 ILE 20 1.434 6.208 7.376 150 HD11 ILE 20 HD11 ILE 20 2.285 6.347 9.278 151 HD12 ILE 20 HD12 ILE 20 3.675 5.987 10.302 152 HD13 ILE 20 HD13 ILE 20 3.806 7.207 9.036 153 H CYS 21 H CYS 21 1.713 1.366 8.089 154 HA CYS 21 HA CYS 21 -1.071 1.371 7.177 155 HB2 CYS 21 HB2 CYS 21 1.185 0.142 5.583 156 HB3 CYS 21 HB3 CYS 21 -0.520 0.168 5.145 157 H ILE 22 H ILE 22 -1.696 0.170 8.952 158 HA ILE 22 HA ILE 22 -0.436 -2.462 9.299 159 HB ILE 22 HB ILE 22 -2.309 -1.002 11.165 160 HG12 ILE 22 HG12 ILE 22 0.675 -1.454 11.381 161 HG13 ILE 22 HG13 ILE 22 -0.082 0.070 10.931 162 HG21 ILE 22 HG21 ILE 22 -0.687 -3.501 11.623 163 HG22 ILE 22 HG22 ILE 22 -1.769 -2.722 12.776 164 HG23 ILE 22 HG23 ILE 22 -2.423 -3.461 11.314 165 HD11 ILE 22 HD11 ILE 22 0.313 -1.124 13.554 166 HD12 ILE 22 HD12 ILE 22 0.047 0.559 13.097 167 HD13 ILE 22 HD13 ILE 22 -1.327 -0.530 13.290 168 HA PRO 23 HA PRO 23 -3.958 -4.338 7.391 169 HB2 PRO 23 HB2 PRO 23 -3.450 -6.892 8.161 170 HB3 PRO 23 HB3 PRO 23 -2.548 -6.078 6.877 171 HG2 PRO 23 HG2 PRO 23 -1.801 -6.493 9.747 172 HG3 PRO 23 HG3 PRO 23 -0.799 -6.663 8.294 173 HD2 PRO 23 HD2 PRO 23 -0.705 -4.470 9.880 174 HD3 PRO 23 HD3 PRO 23 -0.433 -4.393 8.128 175 H THR 24 H THR 24 -3.138 -5.429 10.688 176 HA THR 24 HA THR 24 -5.695 -6.355 11.369 177 HB THR 24 HB THR 24 -4.964 -6.209 13.711 178 HG1 THR 24 HG1 THR 24 -2.804 -5.357 14.072 179 HG21 THR 24 HG21 THR 24 -4.001 -8.150 13.159 180 HG22 THR 24 HG22 THR 24 -2.491 -7.253 13.003 181 HG23 THR 24 HG23 THR 24 -3.501 -7.535 11.585 182 H LEU 25 H LEU 25 -4.424 -3.162 11.152 183 HA LEU 25 HA LEU 25 -5.343 -1.106 11.465 184 HB2 LEU 25 HB2 LEU 25 -7.630 -2.892 11.059 185 HB3 LEU 25 HB3 LEU 25 -8.017 -1.404 11.920 186 HG LEU 25 HG LEU 25 -6.481 -0.635 9.698 187 HD11 LEU 25 HD11 LEU 25 -8.742 -2.068 8.502 188 HD12 LEU 25 HD12 LEU 25 -7.428 -3.098 9.071 189 HD13 LEU 25 HD13 LEU 25 -7.103 -1.820 7.900 190 HD21 LEU 25 HD21 LEU 25 -9.212 -0.307 10.738 191 HD22 LEU 25 HD22 LEU 25 -9.021 -0.013 9.009 192 HD23 LEU 25 HD23 LEU 25 -8.057 0.899 10.171 193 HA PRO 26 HA PRO 26 -5.631 -0.338 15.775 194 HB2 PRO 26 HB2 PRO 26 -7.125 1.926 15.871 195 HB3 PRO 26 HB3 PRO 26 -5.454 1.902 15.294 196 HG2 PRO 26 HG2 PRO 26 -8.002 1.899 13.721 197 HG3 PRO 26 HG3 PRO 26 -6.512 2.816 13.436 198 HD2 PRO 26 HD2 PRO 26 -7.120 0.562 12.064 199 HD3 PRO 26 HD3 PRO 26 -5.449 1.026 12.446 200 HA PRO 27 HA PRO 27 -9.328 -1.880 17.587 201 HB2 PRO 27 HB2 PRO 27 -9.492 -0.478 19.906 202 HB3 PRO 27 HB3 PRO 27 -8.284 -1.739 19.629 203 HG2 PRO 27 HG2 PRO 27 -7.999 1.234 19.425 204 HG3 PRO 27 HG3 PRO 27 -6.891 0.050 20.143 205 HD2 PRO 27 HD2 PRO 27 -6.508 1.092 17.673 206 HD3 PRO 27 HD3 PRO 27 -6.017 -0.560 18.099 207 H LEU 28 H LEU 28 -11.366 -0.984 18.900 208 HA LEU 28 HA LEU 28 -12.391 1.341 17.408 209 HB2 LEU 28 HB2 LEU 28 -13.692 -1.268 18.098 210 HB3 LEU 28 HB3 LEU 28 -14.659 0.172 17.787 211 HG LEU 28 HG LEU 28 -12.662 -0.830 15.782 212 HD11 LEU 28 HD11 LEU 28 -14.235 -2.663 16.399 213 HD12 LEU 28 HD12 LEU 28 -14.357 -2.136 14.721 214 HD13 LEU 28 HD13 LEU 28 -15.566 -1.620 15.897 215 HD21 LEU 28 HD21 LEU 28 -15.221 0.725 15.450 216 HD22 LEU 28 HD22 LEU 28 -13.992 0.409 14.225 217 HD23 LEU 28 HD23 LEU 28 -13.625 1.461 15.594 218 H THR 29 H THR 29 -11.132 1.765 19.789 219 HA THR 29 HA THR 29 -13.299 2.095 21.751 220 HB THR 29 HB THR 29 -11.402 0.878 22.646 221 HG1 THR 29 HG1 THR 29 -11.759 1.963 24.417 222 HG21 THR 29 HG21 THR 29 -9.765 3.296 21.871 223 HG22 THR 29 HG22 THR 29 -9.662 1.691 21.146 224 HG23 THR 29 HG23 THR 29 -9.185 1.933 22.827 225 H GLY 30 H GLY 30 -10.943 3.795 19.818 226 HA2 GLY 30 HA2 GLY 30 -11.562 6.340 21.115 227 HA3 GLY 30 HA3 GLY 30 -10.333 6.071 19.887 228 H GLY 31 H GLY 31 -13.442 4.728 19.291 229 HA2 GLY 31 HA2 GLY 31 -13.880 6.794 17.236 230 HA3 GLY 31 HA3 GLY 31 -14.488 5.146 17.162 231 H HIS 32 H HIS 32 -14.726 6.755 20.188 232 HA HIS 32 HA HIS 32 -17.621 6.738 19.976 233 HB2 HIS 32 HB2 HIS 32 -16.402 5.879 22.000 234 HB3 HIS 32 HB3 HIS 32 -15.924 7.539 22.346 235 HD1 HIS 32 HD1 HIS 32 -19.369 6.536 21.179 236 HD2 HIS 32 HD2 HIS 32 -17.448 7.874 24.612 237 HE1 HIS 32 HE1 HIS 32 -21.204 7.051 22.820 238 H ALA 33 H ALA 33 -15.199 9.122 21.070 239 HA ALA 33 HA ALA 33 -16.962 11.318 21.019 240 HB1 ALA 33 HB1 ALA 33 -13.953 11.230 20.874 241 HB2 ALA 33 HB2 ALA 33 -14.904 12.695 21.122 242 HB3 ALA 33 HB3 ALA 33 -14.943 11.405 22.323 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 1.813 0.002 1.009 2 HA2 GLY 1 HA2 GLY 1 3.013 -0.437 -0.935 3 HA3 GLY 1 HA3 GLY 1 1.495 -0.669 -1.789 4 H VAL 2 H VAL 2 3.573 1.841 -0.385 5 HA VAL 2 HA VAL 2 3.128 3.505 -2.715 6 HB VAL 2 HB VAL 2 2.604 5.509 -1.238 7 HG11 VAL 2 HG11 VAL 2 1.003 3.934 -2.665 8 HG12 VAL 2 HG12 VAL 2 0.300 3.652 -1.071 9 HG13 VAL 2 HG13 VAL 2 0.393 5.291 -1.718 10 HG21 VAL 2 HG21 VAL 2 2.016 3.285 0.705 11 HG22 VAL 2 HG22 VAL 2 3.115 4.647 0.924 12 HG23 VAL 2 HG23 VAL 2 1.374 4.920 0.869 13 H LEU 3 H LEU 3 4.534 3.315 0.540 14 HA LEU 3 HA LEU 3 7.174 3.640 -0.289 15 HB2 LEU 3 HB2 LEU 3 6.787 5.850 -0.937 16 HB3 LEU 3 HB3 LEU 3 5.739 6.166 0.444 17 HG LEU 3 HG LEU 3 7.662 6.205 1.927 18 HD11 LEU 3 HD11 LEU 3 9.806 6.319 0.073 19 HD12 LEU 3 HD12 LEU 3 8.921 4.819 -0.202 20 HD13 LEU 3 HD13 LEU 3 9.556 5.186 1.401 21 HD21 LEU 3 HD21 LEU 3 8.676 7.959 -0.200 22 HD22 LEU 3 HD22 LEU 3 8.158 8.343 1.442 23 HD23 LEU 3 HD23 LEU 3 6.959 8.141 0.163 24 H GLY 4 H GLY 4 8.550 3.179 1.359 25 HA2 GLY 4 HA2 GLY 4 8.679 3.771 3.931 26 HA3 GLY 4 HA3 GLY 4 7.318 2.658 3.957 27 H ASN 5 H ASN 5 8.078 0.870 4.907 28 HA ASN 5 HA ASN 5 10.389 -0.440 3.657 29 HB2 ASN 5 HB2 ASN 5 11.259 0.545 5.683 30 HB3 ASN 5 HB3 ASN 5 9.919 -0.102 6.625 31 HD21 ASN 5 HD21 ASN 5 10.861 -1.478 7.978 32 HD22 ASN 5 HD22 ASN 5 11.883 -2.792 7.515 33 H ASP 6 H ASP 6 7.941 -1.015 6.190 34 HA ASP 6 HA ASP 6 7.766 -3.772 5.885 35 HB2 ASP 6 HB2 ASP 6 6.672 -2.081 7.615 36 HB3 ASP 6 HB3 ASP 6 5.287 -2.245 6.539 37 H ALA 7 H ALA 7 5.505 -4.790 5.232 38 HA ALA 7 HA ALA 7 4.973 -3.900 2.474 39 HB1 ALA 7 HB1 ALA 7 6.074 -6.081 2.602 40 HB2 ALA 7 HB2 ALA 7 4.759 -6.686 3.610 41 HB3 ALA 7 HB3 ALA 7 4.445 -6.216 1.939 42 H GLU 8 H GLU 8 3.046 -3.004 2.202 43 HA GLU 8 HA GLU 8 0.974 -3.213 4.157 44 HB2 GLU 8 HB2 GLU 8 -0.157 -1.591 2.937 45 HB3 GLU 8 HB3 GLU 8 1.526 -1.243 2.563 46 HG2 GLU 8 HG2 GLU 8 1.324 -2.393 0.443 47 HG3 GLU 8 HG3 GLU 8 -0.339 -2.837 0.820 48 H GLY 9 H GLY 9 1.860 -5.051 1.426 49 HA2 GLY 9 HA2 GLY 9 0.299 -7.197 1.726 50 HA3 GLY 9 HA3 GLY 9 -0.817 -6.085 0.948 51 H ILE 10 H ILE 10 1.678 -4.945 -0.460 52 HA ILE 10 HA ILE 10 1.478 -6.728 -2.747 53 HB ILE 10 HB ILE 10 3.188 -4.278 -2.752 54 HG12 ILE 10 HG12 ILE 10 1.164 -3.513 -1.655 55 HG13 ILE 10 HG13 ILE 10 1.181 -2.922 -3.313 56 HG21 ILE 10 HG21 ILE 10 1.989 -6.082 -4.673 57 HG22 ILE 10 HG22 ILE 10 1.611 -4.397 -5.028 58 HG23 ILE 10 HG23 ILE 10 3.291 -4.913 -4.884 59 HD11 ILE 10 HD11 ILE 10 -0.160 -5.337 -3.467 60 HD12 ILE 10 HD12 ILE 10 -0.738 -4.605 -1.970 61 HD13 ILE 10 HD13 ILE 10 -0.874 -3.724 -3.491 62 H THR 11 H THR 11 3.470 -7.239 -3.993 63 HA THR 11 HA THR 11 5.535 -8.196 -2.158 64 HB THR 11 HB THR 11 5.146 -8.873 -5.079 65 HG1 THR 11 HG1 THR 11 4.535 -10.578 -2.907 66 HG21 THR 11 HG21 THR 11 7.166 -9.560 -3.076 67 HG22 THR 11 HG22 THR 11 7.225 -9.689 -4.834 68 HG23 THR 11 HG23 THR 11 6.459 -10.960 -3.881 69 H LEU 12 H LEU 12 5.004 -5.748 -4.467 70 HA LEU 12 HA LEU 12 7.457 -5.357 -5.658 71 HB2 LEU 12 HB2 LEU 12 5.622 -3.214 -4.598 72 HB3 LEU 12 HB3 LEU 12 6.863 -3.002 -5.831 73 HG LEU 12 HG LEU 12 4.681 -4.971 -6.326 74 HD11 LEU 12 HD11 LEU 12 4.314 -2.048 -6.907 75 HD12 LEU 12 HD12 LEU 12 3.679 -2.805 -5.447 76 HD13 LEU 12 HD13 LEU 12 3.135 -3.354 -7.032 77 HD21 LEU 12 HD21 LEU 12 6.282 -3.076 -8.040 78 HD22 LEU 12 HD22 LEU 12 5.013 -4.144 -8.638 79 HD23 LEU 12 HD23 LEU 12 6.476 -4.825 -7.924 80 H LEU 13 H LEU 13 9.002 -3.510 -5.149 81 HA LEU 13 HA LEU 13 10.188 -4.019 -2.603 82 HB2 LEU 13 HB2 LEU 13 11.829 -3.587 -4.105 83 HB3 LEU 13 HB3 LEU 13 10.845 -2.441 -5.013 84 HG LEU 13 HG LEU 13 11.287 -0.723 -3.332 85 HD11 LEU 13 HD11 LEU 13 13.234 -1.332 -1.720 86 HD12 LEU 13 HD12 LEU 13 12.669 -2.985 -1.959 87 HD13 LEU 13 HD13 LEU 13 11.577 -1.768 -1.299 88 HD21 LEU 13 HD21 LEU 13 13.992 -1.781 -3.952 89 HD22 LEU 13 HD22 LEU 13 13.333 -0.158 -4.164 90 HD23 LEU 13 HD23 LEU 13 12.906 -1.439 -5.300 91 HA PRO 14 HA PRO 14 9.030 0.581 -1.693 92 HB2 PRO 14 HB2 PRO 14 7.359 1.817 -3.440 93 HB3 PRO 14 HB3 PRO 14 9.118 1.838 -3.614 94 HG2 PRO 14 HG2 PRO 14 7.098 0.111 -4.993 95 HG3 PRO 14 HG3 PRO 14 8.517 0.931 -5.670 96 HD2 PRO 14 HD2 PRO 14 8.514 -1.706 -5.055 97 HD3 PRO 14 HD3 PRO 14 9.970 -0.697 -4.926 98 H LEU 15 H LEU 15 7.836 -0.398 -0.046 99 HA LEU 15 HA LEU 15 4.930 -0.523 -0.519 100 HB2 LEU 15 HB2 LEU 15 6.760 -2.378 0.904 101 HB3 LEU 15 HB3 LEU 15 5.148 -2.140 1.576 102 HG LEU 15 HG LEU 15 5.529 -4.128 0.004 103 HD11 LEU 15 HD11 LEU 15 3.317 -4.104 0.108 104 HD12 LEU 15 HD12 LEU 15 3.282 -2.990 -1.258 105 HD13 LEU 15 HD13 LEU 15 3.318 -2.363 0.390 106 HD21 LEU 15 HD21 LEU 15 6.717 -2.559 -1.669 107 HD22 LEU 15 HD22 LEU 15 5.085 -2.114 -2.167 108 HD23 LEU 15 HD23 LEU 15 5.618 -3.791 -2.290 109 H CYS 16 H CYS 16 3.641 -0.237 1.516 110 HA CYS 16 HA CYS 16 4.419 2.188 2.790 111 HB2 CYS 16 HB2 CYS 16 2.050 1.473 2.261 112 HB3 CYS 16 HB3 CYS 16 2.164 0.357 3.618 113 H PHE 17 H PHE 17 4.725 2.548 5.048 114 HA PHE 17 HA PHE 17 6.527 0.760 6.259 115 HB2 PHE 17 HB2 PHE 17 5.103 3.238 7.137 116 HB3 PHE 17 HB3 PHE 17 5.926 2.260 8.348 117 HD1 PHE 17 HD1 PHE 17 6.298 5.033 6.393 118 HD2 PHE 17 HD2 PHE 17 8.378 1.462 7.410 119 HE1 PHE 17 HE1 PHE 17 8.430 6.111 5.804 120 HE2 PHE 17 HE2 PHE 17 10.513 2.534 6.823 121 HZ PHE 17 HZ PHE 17 10.541 4.862 6.020 122 H LYS 18 H LYS 18 6.190 0.001 8.599 123 HA LYS 18 HA LYS 18 4.103 -1.917 8.602 124 HB2 LYS 18 HB2 LYS 18 5.861 -2.710 9.822 125 HB3 LYS 18 HB3 LYS 18 6.291 -1.120 10.439 126 HG2 LYS 18 HG2 LYS 18 4.642 -1.214 12.119 127 HG3 LYS 18 HG3 LYS 18 3.854 -2.605 11.372 128 HD2 LYS 18 HD2 LYS 18 5.060 -3.468 13.206 129 HD3 LYS 18 HD3 LYS 18 6.020 -3.866 11.779 130 HE2 LYS 18 HE2 LYS 18 7.637 -3.051 13.199 131 HE3 LYS 18 HE3 LYS 18 7.204 -1.598 12.299 132 HZ1 LYS 18 HZ1 LYS 18 6.980 -2.112 15.081 133 HZ2 LYS 18 HZ2 LYS 18 5.472 -1.694 14.438 134 HZ3 LYS 18 HZ3 LYS 18 6.791 -0.652 14.245 135 HA PRO 19 HA PRO 19 2.159 0.765 12.119 136 HB2 PRO 19 HB2 PRO 19 3.206 3.237 12.524 137 HB3 PRO 19 HB3 PRO 19 3.797 1.794 13.358 138 HG2 PRO 19 HG2 PRO 19 4.918 3.190 10.958 139 HG3 PRO 19 HG3 PRO 19 5.769 2.527 12.366 140 HD2 PRO 19 HD2 PRO 19 5.636 1.222 9.998 141 HD3 PRO 19 HD3 PRO 19 5.695 0.371 11.555 142 H ILE 20 H ILE 20 3.522 2.920 9.621 143 HA ILE 20 HA ILE 20 1.380 4.643 9.334 144 HB ILE 20 HB ILE 20 3.161 3.666 7.099 145 HG12 ILE 20 HG12 ILE 20 4.511 4.460 8.959 146 HG13 ILE 20 HG13 ILE 20 4.557 5.639 7.653 147 HG21 ILE 20 HG21 ILE 20 2.702 5.957 6.185 148 HG22 ILE 20 HG22 ILE 20 1.317 4.866 6.195 149 HG23 ILE 20 HG23 ILE 20 1.456 6.126 7.421 150 HD11 ILE 20 HD11 ILE 20 3.017 5.806 10.226 151 HD12 ILE 20 HD12 ILE 20 4.344 6.834 9.683 152 HD13 ILE 20 HD13 ILE 20 2.780 6.912 8.873 153 H CYS 21 H CYS 21 1.772 1.384 8.155 154 HA CYS 21 HA CYS 21 -1.003 1.437 7.216 155 HB2 CYS 21 HB2 CYS 21 1.295 0.247 5.648 156 HB3 CYS 21 HB3 CYS 21 -0.408 0.137 5.215 157 H ILE 22 H ILE 22 -1.669 0.250 8.985 158 HA ILE 22 HA ILE 22 -0.431 -2.376 9.405 159 HB ILE 22 HB ILE 22 -2.443 -0.925 11.129 160 HG12 ILE 22 HG12 ILE 22 0.537 -1.305 11.497 161 HG13 ILE 22 HG13 ILE 22 -0.254 0.205 11.058 162 HG21 ILE 22 HG21 ILE 22 -1.979 -2.619 12.792 163 HG22 ILE 22 HG22 ILE 22 -2.530 -3.382 11.301 164 HG23 ILE 22 HG23 ILE 22 -0.816 -3.394 11.717 165 HD11 ILE 22 HD11 ILE 22 0.265 -0.843 13.635 166 HD12 ILE 22 HD12 ILE 22 -0.499 0.685 13.197 167 HD13 ILE 22 HD13 ILE 22 -1.483 -0.762 13.417 168 HA PRO 23 HA PRO 23 -3.795 -4.323 7.294 169 HB2 PRO 23 HB2 PRO 23 -3.300 -6.861 8.122 170 HB3 PRO 23 HB3 PRO 23 -2.329 -6.046 6.890 171 HG2 PRO 23 HG2 PRO 23 -1.763 -6.422 9.806 172 HG3 PRO 23 HG3 PRO 23 -0.667 -6.590 8.423 173 HD2 PRO 23 HD2 PRO 23 -0.707 -4.382 9.988 174 HD3 PRO 23 HD3 PRO 23 -0.324 -4.317 8.256 175 H THR 24 H THR 24 -3.173 -5.367 10.649 176 HA THR 24 HA THR 24 -5.789 -6.287 11.151 177 HB THR 24 HB THR 24 -5.177 -6.158 13.552 178 HG1 THR 24 HG1 THR 24 -2.657 -5.181 12.675 179 HG21 THR 24 HG21 THR 24 -4.409 -8.182 12.935 180 HG22 THR 24 HG22 THR 24 -2.816 -7.433 13.039 181 HG23 THR 24 HG23 THR 24 -3.635 -7.549 11.482 182 H LEU 25 H LEU 25 -4.446 -3.126 11.048 183 HA LEU 25 HA LEU 25 -5.325 -1.054 11.371 184 HB2 LEU 25 HB2 LEU 25 -7.696 -2.769 10.932 185 HB3 LEU 25 HB3 LEU 25 -7.987 -1.174 11.623 186 HG LEU 25 HG LEU 25 -6.263 -0.916 9.354 187 HD11 LEU 25 HD11 LEU 25 -7.282 -2.018 7.660 188 HD12 LEU 25 HD12 LEU 25 -8.868 -1.967 8.430 189 HD13 LEU 25 HD13 LEU 25 -7.670 -3.150 8.955 190 HD21 LEU 25 HD21 LEU 25 -7.501 0.942 9.989 191 HD22 LEU 25 HD22 LEU 25 -8.991 0.015 10.167 192 HD23 LEU 25 HD23 LEU 25 -8.358 0.367 8.559 193 HA PRO 26 HA PRO 26 -5.817 -0.369 15.676 194 HB2 PRO 26 HB2 PRO 26 -7.260 1.930 15.745 195 HB3 PRO 26 HB3 PRO 26 -5.562 1.875 15.254 196 HG2 PRO 26 HG2 PRO 26 -8.024 1.969 13.553 197 HG3 PRO 26 HG3 PRO 26 -6.500 2.855 13.365 198 HD2 PRO 26 HD2 PRO 26 -7.090 0.645 11.915 199 HD3 PRO 26 HD3 PRO 26 -5.431 1.059 12.392 200 HA PRO 27 HA PRO 27 -9.640 -1.854 17.262 201 HB2 PRO 27 HB2 PRO 27 -9.891 -0.495 19.599 202 HB3 PRO 27 HB3 PRO 27 -8.701 -1.780 19.358 203 HG2 PRO 27 HG2 PRO 27 -8.334 1.188 19.232 204 HG3 PRO 27 HG3 PRO 27 -7.294 -0.037 19.981 205 HD2 PRO 27 HD2 PRO 27 -6.758 1.045 17.558 206 HD3 PRO 27 HD3 PRO 27 -6.329 -0.627 17.973 207 H LEU 28 H LEU 28 -11.773 -1.049 18.328 208 HA LEU 28 HA LEU 28 -12.668 1.322 16.829 209 HB2 LEU 28 HB2 LEU 28 -14.014 -1.242 17.570 210 HB3 LEU 28 HB3 LEU 28 -14.977 0.205 17.277 211 HG LEU 28 HG LEU 28 -14.911 -1.182 15.295 212 HD11 LEU 28 HD11 LEU 28 -14.768 0.574 13.913 213 HD12 LEU 28 HD12 LEU 28 -13.105 0.932 14.377 214 HD13 LEU 28 HD13 LEU 28 -14.441 1.497 15.380 215 HD21 LEU 28 HD21 LEU 28 -12.968 -1.894 14.224 216 HD22 LEU 28 HD22 LEU 28 -12.618 -2.150 15.933 217 HD23 LEU 28 HD23 LEU 28 -11.951 -0.747 15.096 218 H THR 29 H THR 29 -11.560 2.199 18.965 219 HA THR 29 HA THR 29 -13.698 2.535 20.968 220 HB THR 29 HB THR 29 -11.758 1.369 21.914 221 HG1 THR 29 HG1 THR 29 -12.987 3.054 23.110 222 HG21 THR 29 HG21 THR 29 -10.130 2.520 20.300 223 HG22 THR 29 HG22 THR 29 -9.584 2.255 21.956 224 HG23 THR 29 HG23 THR 29 -10.132 3.854 21.454 225 H GLY 30 H GLY 30 -11.192 4.102 19.065 226 HA2 GLY 30 HA2 GLY 30 -11.416 6.691 20.148 227 HA3 GLY 30 HA3 GLY 30 -10.823 6.305 18.539 228 H GLY 31 H GLY 31 -13.547 4.923 18.116 229 HA2 GLY 31 HA2 GLY 31 -14.757 7.005 16.674 230 HA3 GLY 31 HA3 GLY 31 -15.525 5.481 17.096 231 H HIS 32 H HIS 32 -15.288 5.862 19.957 232 HA HIS 32 HA HIS 32 -17.477 7.784 20.284 233 HB2 HIS 32 HB2 HIS 32 -17.615 5.317 21.037 234 HB3 HIS 32 HB3 HIS 32 -16.575 5.812 22.370 235 HD1 HIS 32 HD1 HIS 32 -19.707 7.370 20.851 236 HD2 HIS 32 HD2 HIS 32 -18.152 6.195 24.520 237 HE1 HIS 32 HE1 HIS 32 -21.457 7.983 22.550 238 H ALA 33 H ALA 33 -14.393 6.837 21.766 239 HA ALA 33 HA ALA 33 -12.914 7.970 23.073 240 HB1 ALA 33 HB1 ALA 33 -14.193 10.418 21.863 241 HB2 ALA 33 HB2 ALA 33 -12.613 10.334 22.643 242 HB3 ALA 33 HB3 ALA 33 -12.895 9.477 21.127 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 0.436 0.470 3.235 2 HA2 GLY 1 HA2 GLY 1 1.049 0.354 0.989 3 HA3 GLY 1 HA3 GLY 1 -0.645 0.161 0.563 4 H VAL 2 H VAL 2 1.744 2.543 1.641 5 HA VAL 2 HA VAL 2 0.599 4.500 -0.164 6 HB VAL 2 HB VAL 2 0.570 6.247 1.693 7 HG11 VAL 2 HG11 VAL 2 -1.409 4.982 0.561 8 HG12 VAL 2 HG12 VAL 2 -1.570 4.212 2.141 9 HG13 VAL 2 HG13 VAL 2 -1.699 5.965 1.995 10 HG21 VAL 2 HG21 VAL 2 0.029 5.303 3.952 11 HG22 VAL 2 HG22 VAL 2 0.569 3.733 3.355 12 HG23 VAL 2 HG23 VAL 2 1.702 5.081 3.439 13 H LEU 3 H LEU 3 2.936 3.939 2.453 14 HA LEU 3 HA LEU 3 5.197 4.478 0.918 15 HB2 LEU 3 HB2 LEU 3 4.639 6.733 0.718 16 HB3 LEU 3 HB3 LEU 3 4.045 6.828 2.375 17 HG LEU 3 HG LEU 3 6.332 6.741 3.214 18 HD11 LEU 3 HD11 LEU 3 6.893 5.734 0.628 19 HD12 LEU 3 HD12 LEU 3 7.990 5.922 1.996 20 HD13 LEU 3 HD13 LEU 3 7.800 7.233 0.832 21 HD21 LEU 3 HD21 LEU 3 6.694 8.947 2.900 22 HD22 LEU 3 HD22 LEU 3 5.111 8.873 2.126 23 HD23 LEU 3 HD23 LEU 3 6.576 8.830 1.144 24 H GLY 4 H GLY 4 7.022 3.896 2.001 25 HA2 GLY 4 HA2 GLY 4 7.954 4.141 4.442 26 HA3 GLY 4 HA3 GLY 4 6.638 3.024 4.771 27 H ASN 5 H ASN 5 7.752 1.223 5.324 28 HA ASN 5 HA ASN 5 9.468 0.060 3.235 29 HB2 ASN 5 HB2 ASN 5 10.938 0.823 4.997 30 HB3 ASN 5 HB3 ASN 5 9.945 0.038 6.221 31 HD21 ASN 5 HD21 ASN 5 11.398 -1.362 7.031 32 HD22 ASN 5 HD22 ASN 5 12.142 -2.630 6.123 33 H ASP 6 H ASP 6 7.887 -0.822 6.312 34 HA ASP 6 HA ASP 6 7.581 -3.529 5.812 35 HB2 ASP 6 HB2 ASP 6 7.054 -2.063 7.935 36 HB3 ASP 6 HB3 ASP 6 5.423 -2.053 7.268 37 H ALA 7 H ALA 7 5.273 -4.561 5.662 38 HA ALA 7 HA ALA 7 3.966 -3.393 3.293 39 HB1 ALA 7 HB1 ALA 7 5.087 -5.513 2.832 40 HB2 ALA 7 HB2 ALA 7 4.139 -6.294 4.098 41 HB3 ALA 7 HB3 ALA 7 3.338 -5.664 2.659 42 H GLU 8 H GLU 8 2.037 -2.553 3.696 43 HA GLU 8 HA GLU 8 0.605 -3.073 6.106 44 HB2 GLU 8 HB2 GLU 8 -0.857 -1.396 5.441 45 HB3 GLU 8 HB3 GLU 8 0.639 -0.931 4.643 46 HG2 GLU 8 HG2 GLU 8 -0.145 -1.879 2.557 47 HG3 GLU 8 HG3 GLU 8 -1.621 -2.436 3.343 48 H GLY 9 H GLY 9 0.722 -4.598 3.063 49 HA2 GLY 9 HA2 GLY 9 -0.643 -6.836 3.547 50 HA3 GLY 9 HA3 GLY 9 -1.961 -5.713 3.250 51 H ILE 10 H ILE 10 0.003 -4.308 1.326 52 HA ILE 10 HA ILE 10 -0.813 -5.859 -0.994 53 HB ILE 10 HB ILE 10 0.764 -3.330 -1.209 54 HG12 ILE 10 HG12 ILE 10 -0.879 -2.794 0.493 55 HG13 ILE 10 HG13 ILE 10 -1.352 -2.039 -1.025 56 HG21 ILE 10 HG21 ILE 10 -0.888 -4.998 -2.903 57 HG22 ILE 10 HG22 ILE 10 -1.396 -3.310 -2.946 58 HG23 ILE 10 HG23 ILE 10 0.268 -3.740 -3.341 59 HD11 ILE 10 HD11 ILE 10 -2.785 -3.908 0.615 60 HD12 ILE 10 HD12 ILE 10 -3.347 -2.951 -0.757 61 HD13 ILE 10 HD13 ILE 10 -2.603 -4.527 -1.026 62 H THR 11 H THR 11 0.744 -6.138 -2.804 63 HA THR 11 HA THR 11 3.271 -7.164 -1.753 64 HB THR 11 HB THR 11 2.062 -7.551 -4.498 65 HG1 THR 11 HG1 THR 11 0.753 -8.734 -3.266 66 HG21 THR 11 HG21 THR 11 4.589 -8.373 -3.232 67 HG22 THR 11 HG22 THR 11 4.178 -8.202 -4.938 68 HG23 THR 11 HG23 THR 11 3.715 -9.660 -4.061 69 H LEU 12 H LEU 12 2.049 -4.514 -3.509 70 HA LEU 12 HA LEU 12 4.046 -3.868 -5.294 71 HB2 LEU 12 HB2 LEU 12 2.546 -1.955 -3.511 72 HB3 LEU 12 HB3 LEU 12 3.380 -1.541 -5.007 73 HG LEU 12 HG LEU 12 1.190 -3.560 -5.105 74 HD11 LEU 12 HD11 LEU 12 -0.533 -2.040 -5.009 75 HD12 LEU 12 HD12 LEU 12 0.518 -0.662 -5.333 76 HD13 LEU 12 HD13 LEU 12 0.537 -1.431 -3.746 77 HD21 LEU 12 HD21 LEU 12 2.591 -3.016 -7.075 78 HD22 LEU 12 HD22 LEU 12 2.019 -1.350 -6.983 79 HD23 LEU 12 HD23 LEU 12 0.881 -2.656 -7.315 80 H LEU 13 H LEU 13 5.637 -2.011 -5.032 81 HA LEU 13 HA LEU 13 7.512 -2.723 -3.001 82 HB2 LEU 13 HB2 LEU 13 8.647 -2.059 -4.846 83 HB3 LEU 13 HB3 LEU 13 7.424 -0.875 -5.304 84 HG LEU 13 HG LEU 13 8.297 0.680 -3.632 85 HD11 LEU 13 HD11 LEU 13 10.639 0.001 -2.722 86 HD12 LEU 13 HD12 LEU 13 10.051 -1.643 -2.970 87 HD13 LEU 13 HD13 LEU 13 9.181 -0.549 -1.896 88 HD21 LEU 13 HD21 LEU 13 9.201 0.556 -5.981 89 HD22 LEU 13 HD22 LEU 13 10.564 -0.352 -5.324 90 HD23 LEU 13 HD23 LEU 13 10.268 1.304 -4.792 91 HA PRO 14 HA PRO 14 6.582 1.696 -1.287 92 HB2 PRO 14 HB2 PRO 14 4.460 3.022 -2.340 93 HB3 PRO 14 HB3 PRO 14 6.095 3.147 -3.000 94 HG2 PRO 14 HG2 PRO 14 3.796 1.475 -3.938 95 HG3 PRO 14 HG3 PRO 14 4.947 2.429 -4.891 96 HD2 PRO 14 HD2 PRO 14 5.166 -0.255 -4.602 97 HD3 PRO 14 HD3 PRO 14 6.580 0.805 -4.777 98 H LEU 15 H LEU 15 5.927 0.490 0.507 99 HA LEU 15 HA LEU 15 3.010 0.274 0.863 100 HB2 LEU 15 HB2 LEU 15 5.204 -1.624 1.499 101 HB3 LEU 15 HB3 LEU 15 3.841 -1.538 2.613 102 HG LEU 15 HG LEU 15 3.806 -3.331 0.779 103 HD11 LEU 15 HD11 LEU 15 1.756 -1.731 1.962 104 HD12 LEU 15 HD12 LEU 15 1.717 -3.434 1.508 105 HD13 LEU 15 HD13 LEU 15 1.269 -2.198 0.333 106 HD21 LEU 15 HD21 LEU 15 2.723 -1.125 -0.933 107 HD22 LEU 15 HD22 LEU 15 3.228 -2.751 -1.394 108 HD23 LEU 15 HD23 LEU 15 4.438 -1.539 -0.969 109 H CYS 16 H CYS 16 2.325 0.333 3.170 110 HA CYS 16 HA CYS 16 3.334 2.647 4.437 111 HB2 CYS 16 HB2 CYS 16 0.978 1.737 4.599 112 HB3 CYS 16 HB3 CYS 16 1.603 0.530 5.718 113 H PHE 17 H PHE 17 4.314 2.843 6.519 114 HA PHE 17 HA PHE 17 6.513 1.105 6.898 115 HB2 PHE 17 HB2 PHE 17 5.414 3.498 8.269 116 HB3 PHE 17 HB3 PHE 17 6.480 2.465 9.216 117 HD1 PHE 17 HD1 PHE 17 6.497 5.347 7.476 118 HD2 PHE 17 HD2 PHE 17 8.561 1.624 7.540 119 HE1 PHE 17 HE1 PHE 17 8.452 6.416 6.431 120 HE2 PHE 17 HE2 PHE 17 10.519 2.688 6.496 121 HZ PHE 17 HZ PHE 17 10.466 5.086 5.941 122 H LYS 18 H LYS 18 7.023 0.028 8.991 123 HA LYS 18 HA LYS 18 5.015 -1.874 9.620 124 HB2 LYS 18 HB2 LYS 18 7.070 -2.819 9.925 125 HB3 LYS 18 HB3 LYS 18 7.797 -1.319 10.485 126 HG2 LYS 18 HG2 LYS 18 6.976 -1.615 12.670 127 HG3 LYS 18 HG3 LYS 18 5.865 -2.889 12.163 128 HD2 LYS 18 HD2 LYS 18 7.633 -4.021 13.209 129 HD3 LYS 18 HD3 LYS 18 7.952 -4.196 11.482 130 HE2 LYS 18 HE2 LYS 18 9.548 -2.354 11.584 131 HE3 LYS 18 HE3 LYS 18 9.211 -2.145 13.302 132 HZ1 LYS 18 HZ1 LYS 18 10.574 -4.406 11.968 133 HZ2 LYS 18 HZ2 LYS 18 9.952 -4.540 13.535 134 HZ3 LYS 18 HZ3 LYS 18 11.161 -3.405 13.199 135 HA PRO 19 HA PRO 19 4.797 0.353 13.902 136 HB2 PRO 19 HB2 PRO 19 6.038 2.758 14.120 137 HB3 PRO 19 HB3 PRO 19 6.845 1.226 14.472 138 HG2 PRO 19 HG2 PRO 19 6.966 2.904 11.996 139 HG3 PRO 19 HG3 PRO 19 8.280 2.076 12.852 140 HD2 PRO 19 HD2 PRO 19 7.136 1.069 10.614 141 HD3 PRO 19 HD3 PRO 19 7.778 0.035 11.906 142 H ILE 20 H ILE 20 4.396 1.765 10.849 143 HA ILE 20 HA ILE 20 2.510 3.778 11.843 144 HB ILE 20 HB ILE 20 3.581 3.360 9.050 145 HG12 ILE 20 HG12 ILE 20 5.281 4.160 10.646 146 HG13 ILE 20 HG13 ILE 20 4.874 5.396 9.460 147 HG21 ILE 20 HG21 ILE 20 1.823 5.529 10.187 148 HG22 ILE 20 HG22 ILE 20 2.562 5.561 8.587 149 HG23 ILE 20 HG23 ILE 20 1.369 4.324 8.982 150 HD11 ILE 20 HD11 ILE 20 4.837 5.583 12.270 151 HD12 ILE 20 HD12 ILE 20 4.391 6.810 11.083 152 HD13 ILE 20 HD13 ILE 20 3.169 5.706 11.712 153 H CYS 21 H CYS 21 2.668 0.721 10.257 154 HA CYS 21 HA CYS 21 -0.250 0.633 10.164 155 HB2 CYS 21 HB2 CYS 21 1.573 0.125 7.818 156 HB3 CYS 21 HB3 CYS 21 -0.051 -0.550 7.900 157 H ILE 22 H ILE 22 -0.568 -0.931 11.629 158 HA ILE 22 HA ILE 22 0.926 -3.450 11.290 159 HB ILE 22 HB ILE 22 -0.283 -2.377 13.842 160 HG12 ILE 22 HG12 ILE 22 2.644 -2.707 13.176 161 HG13 ILE 22 HG13 ILE 22 1.781 -1.188 12.958 162 HG21 ILE 22 HG21 ILE 22 -0.280 -4.834 13.659 163 HG22 ILE 22 HG22 ILE 22 1.461 -4.794 13.388 164 HG23 ILE 22 HG23 ILE 22 0.796 -4.251 14.928 165 HD11 ILE 22 HD11 ILE 22 1.997 -0.683 15.101 166 HD12 ILE 22 HD12 ILE 22 1.359 -2.249 15.602 167 HD13 ILE 22 HD13 ILE 22 3.077 -2.069 15.245 168 HA PRO 23 HA PRO 23 -2.994 -5.263 10.330 169 HB2 PRO 23 HB2 PRO 23 -2.228 -7.860 10.518 170 HB3 PRO 23 HB3 PRO 23 -1.796 -6.829 9.150 171 HG2 PRO 23 HG2 PRO 23 -0.166 -7.579 11.546 172 HG3 PRO 23 HG3 PRO 23 0.322 -7.491 9.844 173 HD2 PRO 23 HD2 PRO 23 0.886 -5.530 11.624 174 HD3 PRO 23 HD3 PRO 23 0.582 -5.202 9.906 175 H THR 24 H THR 24 -1.128 -6.488 13.096 176 HA THR 24 HA THR 24 -3.118 -7.893 14.410 177 HB THR 24 HB THR 24 -1.080 -6.224 15.875 178 HG1 THR 24 HG1 THR 24 0.419 -7.820 15.436 179 HG21 THR 24 HG21 THR 24 -2.288 -8.934 16.443 180 HG22 THR 24 HG22 THR 24 -2.729 -7.424 17.239 181 HG23 THR 24 HG23 THR 24 -1.112 -8.093 17.452 182 H LEU 25 H LEU 25 -2.700 -4.470 14.074 183 HA LEU 25 HA LEU 25 -4.076 -3.472 16.253 184 HB2 LEU 25 HB2 LEU 25 -3.846 -2.527 13.416 185 HB3 LEU 25 HB3 LEU 25 -4.783 -1.628 14.608 186 HG LEU 25 HG LEU 25 -1.882 -2.295 15.033 187 HD11 LEU 25 HD11 LEU 25 -2.136 -1.061 12.910 188 HD12 LEU 25 HD12 LEU 25 -1.297 -0.131 14.151 189 HD13 LEU 25 HD13 LEU 25 -2.986 0.215 13.782 190 HD21 LEU 25 HD21 LEU 25 -3.728 -0.199 16.172 191 HD22 LEU 25 HD22 LEU 25 -2.008 -0.348 16.534 192 HD23 LEU 25 HD23 LEU 25 -3.123 -1.631 17.005 193 HA PRO 26 HA PRO 26 -8.299 -4.592 15.835 194 HB2 PRO 26 HB2 PRO 26 -9.557 -2.354 16.718 195 HB3 PRO 26 HB3 PRO 26 -8.684 -3.453 17.792 196 HG2 PRO 26 HG2 PRO 26 -7.790 -0.853 16.608 197 HG3 PRO 26 HG3 PRO 26 -7.576 -1.462 18.259 198 HD2 PRO 26 HD2 PRO 26 -5.605 -1.556 16.405 199 HD3 PRO 26 HD3 PRO 26 -5.782 -2.786 17.673 200 HA PRO 27 HA PRO 27 -10.104 -3.147 12.095 201 HB2 PRO 27 HB2 PRO 27 -12.762 -3.230 12.640 202 HB3 PRO 27 HB3 PRO 27 -11.782 -4.683 12.412 203 HG2 PRO 27 HG2 PRO 27 -12.675 -3.379 14.955 204 HG3 PRO 27 HG3 PRO 27 -12.642 -5.101 14.532 205 HD2 PRO 27 HD2 PRO 27 -10.736 -3.940 16.066 206 HD3 PRO 27 HD3 PRO 27 -10.387 -5.295 14.972 207 H LEU 28 H LEU 28 -11.957 -1.596 11.289 208 HA LEU 28 HA LEU 28 -12.649 0.553 11.018 209 HB2 LEU 28 HB2 LEU 28 -13.530 -0.166 13.430 210 HB3 LEU 28 HB3 LEU 28 -12.450 1.138 13.917 211 HG LEU 28 HG LEU 28 -14.409 1.716 11.763 212 HD11 LEU 28 HD11 LEU 28 -15.125 1.097 14.595 213 HD12 LEU 28 HD12 LEU 28 -15.980 0.695 13.107 214 HD13 LEU 28 HD13 LEU 28 -16.003 2.349 13.716 215 HD21 LEU 28 HD21 LEU 28 -12.968 3.152 13.933 216 HD22 LEU 28 HD22 LEU 28 -14.509 3.803 13.373 217 HD23 LEU 28 HD23 LEU 28 -13.178 3.583 12.235 218 H THR 29 H THR 29 -10.009 0.233 10.561 219 HA THR 29 HA THR 29 -8.696 2.499 11.902 220 HB THR 29 HB THR 29 -7.190 0.605 10.145 221 HG1 THR 29 HG1 THR 29 -7.698 0.061 12.889 222 HG21 THR 29 HG21 THR 29 -6.615 2.675 12.078 223 HG22 THR 29 HG22 THR 29 -5.538 1.889 10.923 224 HG23 THR 29 HG23 THR 29 -5.812 1.165 12.507 225 H GLY 30 H GLY 30 -10.654 2.793 9.765 226 HA2 GLY 30 HA2 GLY 30 -9.292 3.336 7.313 227 HA3 GLY 30 HA3 GLY 30 -10.929 3.826 7.724 228 H GLY 31 H GLY 31 -10.096 5.245 10.146 229 HA2 GLY 31 HA2 GLY 31 -8.278 7.112 10.239 230 HA3 GLY 31 HA3 GLY 31 -9.132 7.673 8.809 231 H HIS 32 H HIS 32 -10.329 6.313 11.869 232 HA HIS 32 HA HIS 32 -11.574 8.887 12.494 233 HB2 HIS 32 HB2 HIS 32 -13.213 7.438 11.240 234 HB3 HIS 32 HB3 HIS 32 -13.126 6.295 12.577 235 HD1 HIS 32 HD1 HIS 32 -13.823 7.411 14.993 236 HD2 HIS 32 HD2 HIS 32 -15.129 9.326 11.545 237 HE1 HIS 32 HE1 HIS 32 -15.718 8.893 15.724 238 H ALA 33 H ALA 33 -11.157 9.416 14.527 239 HA ALA 33 HA ALA 33 -10.075 7.455 16.353 240 HB1 ALA 33 HB1 ALA 33 -10.610 10.084 17.478 241 HB2 ALA 33 HB2 ALA 33 -9.092 9.195 17.345 242 HB3 ALA 33 HB3 ALA 33 -9.675 10.153 15.984 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 1.920 -0.750 0.586 2 HA2 GLY 1 HA2 GLY 1 3.316 -1.011 -1.254 3 HA3 GLY 1 HA3 GLY 1 1.914 -1.447 -2.220 4 H VAL 2 H VAL 2 3.464 1.338 -0.649 5 HA VAL 2 HA VAL 2 3.037 2.920 -3.039 6 HB VAL 2 HB VAL 2 2.063 4.822 -1.653 7 HG11 VAL 2 HG11 VAL 2 0.851 3.315 -3.313 8 HG12 VAL 2 HG12 VAL 2 0.207 2.473 -1.903 9 HG13 VAL 2 HG13 VAL 2 -0.143 4.185 -2.145 10 HG21 VAL 2 HG21 VAL 2 1.578 2.521 0.230 11 HG22 VAL 2 HG22 VAL 2 2.442 4.023 0.562 12 HG23 VAL 2 HG23 VAL 2 0.698 4.047 0.304 13 H LEU 3 H LEU 3 4.072 2.955 0.359 14 HA LEU 3 HA LEU 3 6.714 3.667 -0.178 15 HB2 LEU 3 HB2 LEU 3 6.060 5.792 -0.906 16 HB3 LEU 3 HB3 LEU 3 4.851 5.951 0.366 17 HG LEU 3 HG LEU 3 6.611 6.259 2.022 18 HD11 LEU 3 HD11 LEU 3 8.640 5.456 1.629 19 HD12 LEU 3 HD12 LEU 3 8.884 6.758 0.464 20 HD13 LEU 3 HD13 LEU 3 8.261 5.198 -0.074 21 HD21 LEU 3 HD21 LEU 3 5.737 8.093 0.261 22 HD22 LEU 3 HD22 LEU 3 7.470 8.166 -0.059 23 HD23 LEU 3 HD23 LEU 3 6.861 8.457 1.571 24 H GLY 4 H GLY 4 7.968 3.529 1.644 25 HA2 GLY 4 HA2 GLY 4 7.623 4.109 4.208 26 HA3 GLY 4 HA3 GLY 4 6.565 2.714 4.069 27 H ASN 5 H ASN 5 7.516 0.998 4.931 28 HA ASN 5 HA ASN 5 10.224 0.317 4.068 29 HB2 ASN 5 HB2 ASN 5 9.391 0.956 6.840 30 HB3 ASN 5 HB3 ASN 5 10.413 -0.464 6.644 31 HD21 ASN 5 HD21 ASN 5 11.743 1.070 8.022 32 HD22 ASN 5 HD22 ASN 5 12.837 2.103 7.172 33 H ASP 6 H ASP 6 7.604 -0.800 6.218 34 HA ASP 6 HA ASP 6 8.112 -3.538 5.922 35 HB2 ASP 6 HB2 ASP 6 6.452 -2.102 7.488 36 HB3 ASP 6 HB3 ASP 6 5.293 -2.708 6.309 37 H ALA 7 H ALA 7 5.834 -4.796 5.139 38 HA ALA 7 HA ALA 7 5.541 -4.040 2.305 39 HB1 ALA 7 HB1 ALA 7 5.647 -6.862 3.358 40 HB2 ALA 7 HB2 ALA 7 5.572 -6.353 1.670 41 HB3 ALA 7 HB3 ALA 7 7.013 -6.016 2.630 42 H GLU 8 H GLU 8 3.519 -3.454 1.902 43 HA GLU 8 HA GLU 8 1.348 -4.101 3.636 44 HB2 GLU 8 HB2 GLU 8 0.079 -2.643 2.368 45 HB3 GLU 8 HB3 GLU 8 1.702 -2.025 2.094 46 HG2 GLU 8 HG2 GLU 8 1.805 -3.193 -0.036 47 HG3 GLU 8 HG3 GLU 8 0.195 -3.855 0.239 48 H GLY 9 H GLY 9 2.789 -5.660 0.963 49 HA2 GLY 9 HA2 GLY 9 1.660 -8.064 1.068 50 HA3 GLY 9 HA3 GLY 9 0.389 -7.157 0.261 51 H ILE 10 H ILE 10 2.714 -5.496 -0.930 52 HA ILE 10 HA ILE 10 2.978 -7.165 -3.297 53 HB ILE 10 HB ILE 10 4.189 -4.440 -3.092 54 HG12 ILE 10 HG12 ILE 10 1.992 -4.130 -2.106 55 HG13 ILE 10 HG13 ILE 10 1.999 -3.457 -3.733 56 HG21 ILE 10 HG21 ILE 10 4.537 -4.926 -5.235 57 HG22 ILE 10 HG22 ILE 10 3.485 -6.338 -5.156 58 HG23 ILE 10 HG23 ILE 10 2.799 -4.745 -5.473 59 HD11 ILE 10 HD11 ILE 10 1.164 -6.124 -3.983 60 HD12 ILE 10 HD12 ILE 10 0.293 -5.446 -2.607 61 HD13 ILE 10 HD13 ILE 10 0.204 -4.658 -4.183 62 H THR 11 H THR 11 5.096 -7.241 -4.428 63 HA THR 11 HA THR 11 7.197 -7.889 -2.503 64 HB THR 11 HB THR 11 7.212 -8.442 -5.471 65 HG1 THR 11 HG1 THR 11 6.567 -10.390 -3.540 66 HG21 THR 11 HG21 THR 11 9.364 -8.859 -4.838 67 HG22 THR 11 HG22 THR 11 8.651 -10.408 -4.388 68 HG23 THR 11 HG23 THR 11 8.924 -9.173 -3.160 69 H LEU 12 H LEU 12 6.342 -5.448 -4.711 70 HA LEU 12 HA LEU 12 8.737 -4.545 -5.734 71 HB2 LEU 12 HB2 LEU 12 6.468 -2.857 -4.689 72 HB3 LEU 12 HB3 LEU 12 7.722 -2.324 -5.807 73 HG LEU 12 HG LEU 12 5.997 -4.629 -6.582 74 HD11 LEU 12 HD11 LEU 12 4.674 -2.538 -5.655 75 HD12 LEU 12 HD12 LEU 12 4.153 -3.398 -7.103 76 HD13 LEU 12 HD13 LEU 12 5.059 -1.892 -7.251 77 HD21 LEU 12 HD21 LEU 12 6.987 -2.328 -8.240 78 HD22 LEU 12 HD22 LEU 12 6.485 -3.934 -8.769 79 HD23 LEU 12 HD23 LEU 12 7.997 -3.730 -7.884 80 H LEU 13 H LEU 13 9.888 -2.485 -5.042 81 HA LEU 13 HA LEU 13 11.014 -2.918 -2.455 82 HB2 LEU 13 HB2 LEU 13 12.621 -2.107 -3.832 83 HB3 LEU 13 HB3 LEU 13 11.490 -1.107 -4.741 84 HG LEU 13 HG LEU 13 11.520 0.561 -2.956 85 HD11 LEU 13 HD11 LEU 13 11.892 -0.530 -0.961 86 HD12 LEU 13 HD12 LEU 13 13.459 0.221 -1.257 87 HD13 LEU 13 HD13 LEU 13 13.222 -1.490 -1.609 88 HD21 LEU 13 HD21 LEU 13 13.103 0.834 -4.745 89 HD22 LEU 13 HD22 LEU 13 14.236 -0.272 -3.967 90 HD23 LEU 13 HD23 LEU 13 13.876 1.288 -3.226 91 HA PRO 14 HA PRO 14 8.979 1.333 -1.396 92 HB2 PRO 14 HB2 PRO 14 7.200 2.345 -3.180 93 HB3 PRO 14 HB3 PRO 14 8.931 2.696 -3.245 94 HG2 PRO 14 HG2 PRO 14 7.340 0.715 -4.827 95 HG3 PRO 14 HG3 PRO 14 8.616 1.818 -5.375 96 HD2 PRO 14 HD2 PRO 14 9.069 -0.807 -4.890 97 HD3 PRO 14 HD3 PRO 14 10.304 0.440 -4.623 98 H LEU 15 H LEU 15 7.906 0.048 0.123 99 HA LEU 15 HA LEU 15 5.098 -0.561 -0.529 100 HB2 LEU 15 HB2 LEU 15 7.163 -2.156 0.887 101 HB3 LEU 15 HB3 LEU 15 5.506 -2.253 1.477 102 HG LEU 15 HG LEU 15 6.303 -4.034 -0.179 103 HD11 LEU 15 HD11 LEU 15 4.115 -4.385 -0.179 104 HD12 LEU 15 HD12 LEU 15 3.967 -3.250 -1.520 105 HD13 LEU 15 HD13 LEU 15 3.798 -2.679 0.140 106 HD21 LEU 15 HD21 LEU 15 5.620 -1.998 -2.263 107 HD22 LEU 15 HD22 LEU 15 6.462 -3.538 -2.437 108 HD23 LEU 15 HD23 LEU 15 7.277 -2.166 -1.684 109 H CYS 16 H CYS 16 3.635 -0.539 1.348 110 HA CYS 16 HA CYS 16 3.722 1.860 2.740 111 HB2 CYS 16 HB2 CYS 16 1.821 0.004 2.363 112 HB3 CYS 16 HB3 CYS 16 2.272 -0.396 4.017 113 H PHE 17 H PHE 17 3.589 1.990 5.217 114 HA PHE 17 HA PHE 17 6.092 0.978 6.250 115 HB2 PHE 17 HB2 PHE 17 4.133 3.058 7.032 116 HB3 PHE 17 HB3 PHE 17 5.023 2.300 8.348 117 HD1 PHE 17 HD1 PHE 17 7.663 1.942 7.517 118 HD2 PHE 17 HD2 PHE 17 5.003 5.087 6.448 119 HE1 PHE 17 HE1 PHE 17 9.586 3.408 7.062 120 HE2 PHE 17 HE2 PHE 17 6.921 6.559 5.990 121 HZ PHE 17 HZ PHE 17 9.216 5.720 6.296 122 H LYS 18 H LYS 18 6.040 0.271 8.654 123 HA LYS 18 HA LYS 18 4.611 -2.178 8.777 124 HB2 LYS 18 HB2 LYS 18 6.554 -2.372 9.963 125 HB3 LYS 18 HB3 LYS 18 6.506 -0.705 10.522 126 HG2 LYS 18 HG2 LYS 18 4.988 -1.223 12.250 127 HG3 LYS 18 HG3 LYS 18 4.642 -2.814 11.568 128 HD2 LYS 18 HD2 LYS 18 7.454 -2.187 12.306 129 HD3 LYS 18 HD3 LYS 18 6.303 -2.498 13.608 130 HE2 LYS 18 HE2 LYS 18 5.747 -4.649 12.640 131 HE3 LYS 18 HE3 LYS 18 6.806 -4.333 11.266 132 HZ1 LYS 18 HZ1 LYS 18 8.012 -5.701 12.723 133 HZ2 LYS 18 HZ2 LYS 18 7.576 -4.801 14.087 134 HZ3 LYS 18 HZ3 LYS 18 8.648 -4.150 12.952 135 HA PRO 19 HA PRO 19 2.043 -0.053 12.272 136 HB2 PRO 19 HB2 PRO 19 2.336 2.628 12.582 137 HB3 PRO 19 HB3 PRO 19 3.337 1.448 13.436 138 HG2 PRO 19 HG2 PRO 19 3.957 3.026 10.969 139 HG3 PRO 19 HG3 PRO 19 4.991 2.686 12.369 140 HD2 PRO 19 HD2 PRO 19 5.195 1.319 10.040 141 HD3 PRO 19 HD3 PRO 19 5.529 0.574 11.617 142 H ILE 20 H ILE 20 2.610 1.382 9.186 143 HA ILE 20 HA ILE 20 -0.072 2.538 9.073 144 HB ILE 20 HB ILE 20 2.004 2.590 6.890 145 HG12 ILE 20 HG12 ILE 20 2.957 3.558 8.943 146 HG13 ILE 20 HG13 ILE 20 2.672 4.795 7.724 147 HG21 ILE 20 HG21 ILE 20 -0.168 3.151 6.093 148 HG22 ILE 20 HG22 ILE 20 -0.462 4.216 7.467 149 HG23 ILE 20 HG23 ILE 20 0.737 4.656 6.251 150 HD11 ILE 20 HD11 ILE 20 1.673 4.610 10.401 151 HD12 ILE 20 HD12 ILE 20 1.574 5.947 9.255 152 HD13 ILE 20 HD13 ILE 20 0.337 4.691 9.253 153 H CYS 21 H CYS 21 -1.563 1.990 7.423 154 HA CYS 21 HA CYS 21 -2.777 0.541 6.160 155 HB2 CYS 21 HB2 CYS 21 -0.024 -0.368 5.293 156 HB3 CYS 21 HB3 CYS 21 -1.528 -0.825 4.500 157 H ILE 22 H ILE 22 -3.025 -0.286 8.548 158 HA ILE 22 HA ILE 22 -2.056 -3.034 8.815 159 HB ILE 22 HB ILE 22 -3.576 -1.341 10.802 160 HG12 ILE 22 HG12 ILE 22 -0.640 -2.070 10.755 161 HG13 ILE 22 HG13 ILE 22 -1.285 -0.511 10.252 162 HG21 ILE 22 HG21 ILE 22 -3.014 -3.042 12.424 163 HG22 ILE 22 HG22 ILE 22 -3.886 -3.772 11.077 164 HG23 ILE 22 HG23 ILE 22 -2.137 -3.960 11.199 165 HD11 ILE 22 HD11 ILE 22 -2.200 -1.245 12.892 166 HD12 ILE 22 HD12 ILE 22 -0.440 -1.214 12.783 167 HD13 ILE 22 HD13 ILE 22 -1.376 0.214 12.343 168 HA PRO 23 HA PRO 23 -5.917 -4.652 7.388 169 HB2 PRO 23 HB2 PRO 23 -5.547 -7.211 8.215 170 HB3 PRO 23 HB3 PRO 23 -4.728 -6.530 6.805 171 HG2 PRO 23 HG2 PRO 23 -3.703 -6.905 9.592 172 HG3 PRO 23 HG3 PRO 23 -2.888 -7.218 8.049 173 HD2 PRO 23 HD2 PRO 23 -2.429 -4.987 9.513 174 HD3 PRO 23 HD3 PRO 23 -2.350 -4.998 7.740 175 H THR 24 H THR 24 -4.828 -5.686 10.625 176 HA THR 24 HA THR 24 -7.382 -6.331 11.610 177 HB THR 24 HB THR 24 -6.282 -5.979 13.896 178 HG1 THR 24 HG1 THR 24 -4.113 -5.552 13.909 179 HG21 THR 24 HG21 THR 24 -5.290 -7.885 11.802 180 HG22 THR 24 HG22 THR 24 -6.374 -8.191 13.159 181 HG23 THR 24 HG23 THR 24 -4.653 -7.934 13.445 182 H LEU 25 H LEU 25 -5.804 -3.307 11.147 183 HA LEU 25 HA LEU 25 -6.433 -1.154 11.518 184 HB2 LEU 25 HB2 LEU 25 -9.033 -2.614 11.647 185 HB3 LEU 25 HB3 LEU 25 -8.978 -0.905 12.075 186 HG LEU 25 HG LEU 25 -8.104 -2.038 9.418 187 HD11 LEU 25 HD11 LEU 25 -10.156 -1.420 8.512 188 HD12 LEU 25 HD12 LEU 25 -10.581 -0.423 9.903 189 HD13 LEU 25 HD13 LEU 25 -10.593 -2.180 10.043 190 HD21 LEU 25 HD21 LEU 25 -8.133 0.304 8.708 191 HD22 LEU 25 HD22 LEU 25 -6.978 0.038 10.014 192 HD23 LEU 25 HD23 LEU 25 -8.534 0.798 10.353 193 HA PRO 26 HA PRO 26 -6.189 -0.325 15.819 194 HB2 PRO 26 HB2 PRO 26 -7.352 2.122 16.003 195 HB3 PRO 26 HB3 PRO 26 -5.762 1.866 15.273 196 HG2 PRO 26 HG2 PRO 26 -8.426 2.191 13.946 197 HG3 PRO 26 HG3 PRO 26 -6.861 2.897 13.502 198 HD2 PRO 26 HD2 PRO 26 -7.893 0.732 12.244 199 HD3 PRO 26 HD3 PRO 26 -6.146 0.970 12.458 200 HA PRO 27 HA PRO 27 -9.868 -1.336 18.003 201 HB2 PRO 27 HB2 PRO 27 -9.621 0.098 20.295 202 HB3 PRO 27 HB3 PRO 27 -8.625 -1.317 19.935 203 HG2 PRO 27 HG2 PRO 27 -7.967 1.588 19.637 204 HG3 PRO 27 HG3 PRO 27 -6.963 0.274 20.276 205 HD2 PRO 27 HD2 PRO 27 -6.682 1.230 17.758 206 HD3 PRO 27 HD3 PRO 27 -6.377 -0.469 18.174 207 H LEU 28 H LEU 28 -11.590 -0.106 19.543 208 HA LEU 28 HA LEU 28 -12.385 2.384 18.199 209 HB2 LEU 28 HB2 LEU 28 -13.579 0.217 17.431 210 HB3 LEU 28 HB3 LEU 28 -14.413 0.325 18.980 211 HG LEU 28 HG LEU 28 -15.251 2.564 18.319 212 HD11 LEU 28 HD11 LEU 28 -13.671 3.343 16.767 213 HD12 LEU 28 HD12 LEU 28 -15.132 3.044 15.827 214 HD13 LEU 28 HD13 LEU 28 -13.800 1.889 15.777 215 HD21 LEU 28 HD21 LEU 28 -15.891 0.237 16.514 216 HD22 LEU 28 HD22 LEU 28 -16.845 1.718 16.598 217 HD23 LEU 28 HD23 LEU 28 -16.697 0.682 18.018 218 H THR 29 H THR 29 -11.111 1.894 20.774 219 HA THR 29 HA THR 29 -13.222 2.959 22.535 220 HB THR 29 HB THR 29 -11.675 2.014 24.410 221 HG1 THR 29 HG1 THR 29 -10.098 1.339 22.706 222 HG21 THR 29 HG21 THR 29 -12.918 -0.078 24.418 223 HG22 THR 29 HG22 THR 29 -13.338 0.143 22.719 224 HG23 THR 29 HG23 THR 29 -13.971 1.251 23.935 225 H GLY 30 H GLY 30 -12.404 5.016 21.533 226 HA2 GLY 30 HA2 GLY 30 -11.384 6.874 22.936 227 HA3 GLY 30 HA3 GLY 30 -9.913 5.918 22.833 228 H GLY 31 H GLY 31 -10.673 5.155 20.009 229 HA2 GLY 31 HA2 GLY 31 -9.290 7.342 18.745 230 HA3 GLY 31 HA3 GLY 31 -9.839 5.864 17.968 231 H HIS 32 H HIS 32 -12.593 6.392 19.120 232 HA HIS 32 HA HIS 32 -13.601 7.807 16.848 233 HB2 HIS 32 HB2 HIS 32 -15.819 7.462 17.945 234 HB3 HIS 32 HB3 HIS 32 -14.894 5.977 17.739 235 HD1 HIS 32 HD1 HIS 32 -14.218 4.713 19.837 236 HD2 HIS 32 HD2 HIS 32 -16.052 8.354 20.635 237 HE1 HIS 32 HE1 HIS 32 -14.682 4.704 22.308 238 H ALA 33 H ALA 33 -12.793 8.637 20.113 239 HA ALA 33 HA ALA 33 -14.358 10.891 20.541 240 HB1 ALA 33 HB1 ALA 33 -11.887 11.502 21.668 241 HB2 ALA 33 HB2 ALA 33 -13.242 10.690 22.453 242 HB3 ALA 33 HB3 ALA 33 -11.971 9.741 21.683 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 0.955 1.176 3.812 2 HA2 GLY 1 HA2 GLY 1 0.958 0.906 1.500 3 HA3 GLY 1 HA3 GLY 1 -0.778 1.180 1.493 4 H VAL 2 H VAL 2 2.330 2.847 1.870 5 HA VAL 2 HA VAL 2 1.361 5.016 0.210 6 HB VAL 2 HB VAL 2 2.181 6.730 1.910 7 HG11 VAL 2 HG11 VAL 2 0.037 7.079 2.644 8 HG12 VAL 2 HG12 VAL 2 -0.262 5.963 1.311 9 HG13 VAL 2 HG13 VAL 2 -0.247 5.370 2.972 10 HG21 VAL 2 HG21 VAL 2 3.331 5.330 3.460 11 HG22 VAL 2 HG22 VAL 2 1.922 5.987 4.293 12 HG23 VAL 2 HG23 VAL 2 1.902 4.325 3.704 13 H LEU 3 H LEU 3 3.985 3.883 2.321 14 HA LEU 3 HA LEU 3 5.921 3.792 0.319 15 HB2 LEU 3 HB2 LEU 3 5.920 6.117 0.099 16 HB3 LEU 3 HB3 LEU 3 5.764 6.371 1.836 17 HG LEU 3 HG LEU 3 8.080 5.681 2.158 18 HD11 LEU 3 HD11 LEU 3 9.015 5.767 -0.534 19 HD12 LEU 3 HD12 LEU 3 7.762 4.535 -0.399 20 HD13 LEU 3 HD13 LEU 3 9.173 4.475 0.656 21 HD21 LEU 3 HD21 LEU 3 7.978 7.722 -0.051 22 HD22 LEU 3 HD22 LEU 3 9.116 7.623 1.293 23 HD23 LEU 3 HD23 LEU 3 7.433 8.057 1.593 24 H GLY 4 H GLY 4 7.750 2.787 1.038 25 HA2 GLY 4 HA2 GLY 4 9.186 2.805 3.244 26 HA3 GLY 4 HA3 GLY 4 7.742 2.019 3.862 27 H ASN 5 H ASN 5 8.349 -0.033 4.200 28 HA ASN 5 HA ASN 5 9.356 -1.529 1.881 29 HB2 ASN 5 HB2 ASN 5 11.245 -1.065 3.411 30 HB3 ASN 5 HB3 ASN 5 10.363 -1.850 4.718 31 HD21 ASN 5 HD21 ASN 5 12.704 -2.871 4.353 32 HD22 ASN 5 HD22 ASN 5 12.664 -4.363 3.482 33 H ASP 6 H ASP 6 8.251 -2.038 5.237 34 HA ASP 6 HA ASP 6 7.215 -4.593 4.880 35 HB2 ASP 6 HB2 ASP 6 7.524 -3.071 7.028 36 HB3 ASP 6 HB3 ASP 6 5.823 -2.717 6.739 37 H ALA 7 H ALA 7 4.710 -4.954 5.350 38 HA ALA 7 HA ALA 7 3.263 -3.468 3.254 39 HB1 ALA 7 HB1 ALA 7 2.490 -6.228 4.110 40 HB2 ALA 7 HB2 ALA 7 2.182 -5.402 2.582 41 HB3 ALA 7 HB3 ALA 7 3.804 -5.984 2.959 42 H GLU 8 H GLU 8 1.750 -2.165 4.031 43 HA GLU 8 HA GLU 8 0.803 -2.343 6.718 44 HB2 GLU 8 HB2 GLU 8 -0.269 -0.321 6.331 45 HB3 GLU 8 HB3 GLU 8 1.078 -0.250 5.204 46 HG2 GLU 8 HG2 GLU 8 -0.375 -0.907 3.381 47 HG3 GLU 8 HG3 GLU 8 -1.730 -1.068 4.496 48 H GLY 9 H GLY 9 -0.165 -3.746 3.763 49 HA2 GLY 9 HA2 GLY 9 -1.925 -5.565 4.606 50 HA3 GLY 9 HA3 GLY 9 -2.934 -4.126 4.577 51 H ILE 10 H ILE 10 -1.146 -3.229 2.225 52 HA ILE 10 HA ILE 10 -2.837 -4.438 0.190 53 HB ILE 10 HB ILE 10 -0.739 -2.405 -0.443 54 HG12 ILE 10 HG12 ILE 10 -1.765 -1.510 1.566 55 HG13 ILE 10 HG13 ILE 10 -2.346 -0.611 0.169 56 HG21 ILE 10 HG21 ILE 10 -3.103 -3.528 -1.680 57 HG22 ILE 10 HG22 ILE 10 -3.148 -1.766 -1.656 58 HG23 ILE 10 HG23 ILE 10 -1.785 -2.603 -2.399 59 HD11 ILE 10 HD11 ILE 10 -3.831 -2.012 2.153 60 HD12 ILE 10 HD12 ILE 10 -4.415 -1.005 0.828 61 HD13 ILE 10 HD13 ILE 10 -4.149 -2.729 0.574 62 H THR 11 H THR 11 -1.850 -5.058 -1.912 63 HA THR 11 HA THR 11 0.489 -6.741 -1.420 64 HB THR 11 HB THR 11 -1.177 -6.754 -3.929 65 HG1 THR 11 HG1 THR 11 -2.241 -8.589 -2.734 66 HG21 THR 11 HG21 THR 11 0.368 -8.281 -4.470 67 HG22 THR 11 HG22 THR 11 -0.394 -9.325 -3.271 68 HG23 THR 11 HG23 THR 11 0.997 -8.339 -2.824 69 H LEU 12 H LEU 12 -0.357 -3.813 -2.934 70 HA LEU 12 HA LEU 12 1.281 -3.659 -5.145 71 HB2 LEU 12 HB2 LEU 12 0.777 -1.478 -3.126 72 HB3 LEU 12 HB3 LEU 12 1.336 -1.248 -4.781 73 HG LEU 12 HG LEU 12 -1.273 -2.616 -4.332 74 HD11 LEU 12 HD11 LEU 12 -2.472 -0.620 -4.041 75 HD12 LEU 12 HD12 LEU 12 -1.061 0.379 -4.385 76 HD13 LEU 12 HD13 LEU 12 -1.149 -0.533 -2.878 77 HD21 LEU 12 HD21 LEU 12 -1.798 -1.343 -6.418 78 HD22 LEU 12 HD22 LEU 12 -0.482 -2.506 -6.580 79 HD23 LEU 12 HD23 LEU 12 -0.125 -0.785 -6.430 80 H LEU 13 H LEU 13 3.319 -2.287 -5.303 81 HA LEU 13 HA LEU 13 5.352 -3.534 -3.734 82 HB2 LEU 13 HB2 LEU 13 6.173 -3.124 -5.806 83 HB3 LEU 13 HB3 LEU 13 5.231 -1.647 -6.004 84 HG LEU 13 HG LEU 13 6.837 -0.433 -4.617 85 HD11 LEU 13 HD11 LEU 13 8.023 -3.154 -4.308 86 HD12 LEU 13 HD12 LEU 13 7.738 -1.907 -3.095 87 HD13 LEU 13 HD13 LEU 13 9.062 -1.731 -4.246 88 HD21 LEU 13 HD21 LEU 13 7.642 -1.852 -7.091 89 HD22 LEU 13 HD22 LEU 13 8.901 -0.995 -6.201 90 HD23 LEU 13 HD23 LEU 13 7.477 -0.125 -6.774 91 HA PRO 14 HA PRO 14 6.023 0.911 -1.969 92 HB2 PRO 14 HB2 PRO 14 4.140 2.780 -2.544 93 HB3 PRO 14 HB3 PRO 14 5.556 2.499 -3.563 94 HG2 PRO 14 HG2 PRO 14 2.750 1.516 -3.908 95 HG3 PRO 14 HG3 PRO 14 3.863 2.171 -5.123 96 HD2 PRO 14 HD2 PRO 14 3.433 -0.485 -4.822 97 HD3 PRO 14 HD3 PRO 14 4.997 0.176 -5.342 98 H LEU 15 H LEU 15 5.500 -0.148 -0.043 99 HA LEU 15 HA LEU 15 2.790 0.396 0.978 100 HB2 LEU 15 HB2 LEU 15 4.485 -2.038 1.133 101 HB3 LEU 15 HB3 LEU 15 3.489 -1.639 2.531 102 HG LEU 15 HG LEU 15 2.554 -3.285 0.805 103 HD11 LEU 15 HD11 LEU 15 0.737 -2.849 1.995 104 HD12 LEU 15 HD12 LEU 15 0.383 -1.500 0.916 105 HD13 LEU 15 HD13 LEU 15 1.334 -1.233 2.377 106 HD21 LEU 15 HD21 LEU 15 1.738 -0.816 -0.677 107 HD22 LEU 15 HD22 LEU 15 1.683 -2.501 -1.197 108 HD23 LEU 15 HD23 LEU 15 3.231 -1.661 -1.088 109 H CYS 16 H CYS 16 2.684 0.557 3.372 110 HA CYS 16 HA CYS 16 4.509 2.478 4.324 111 HB2 CYS 16 HB2 CYS 16 2.098 2.116 5.062 112 HB3 CYS 16 HB3 CYS 16 2.702 0.795 6.058 113 H PHE 17 H PHE 17 5.919 2.329 6.181 114 HA PHE 17 HA PHE 17 7.675 0.103 6.024 115 HB2 PHE 17 HB2 PHE 17 7.547 2.628 7.580 116 HB3 PHE 17 HB3 PHE 17 8.524 1.329 8.257 117 HD1 PHE 17 HD1 PHE 17 8.822 4.197 6.516 118 HD2 PHE 17 HD2 PHE 17 9.882 0.092 6.147 119 HE1 PHE 17 HE1 PHE 17 10.671 4.813 5.015 120 HE2 PHE 17 HE2 PHE 17 11.734 0.701 4.645 121 HZ PHE 17 HZ PHE 17 12.131 3.065 4.078 122 H LYS 18 H LYS 18 8.429 -1.030 8.079 123 HA LYS 18 HA LYS 18 6.263 -2.531 9.121 124 HB2 LYS 18 HB2 LYS 18 8.141 -3.828 9.098 125 HB3 LYS 18 HB3 LYS 18 9.207 -2.481 9.473 126 HG2 LYS 18 HG2 LYS 18 8.732 -2.613 11.777 127 HG3 LYS 18 HG3 LYS 18 7.355 -3.684 11.507 128 HD2 LYS 18 HD2 LYS 18 9.077 -5.309 10.507 129 HD3 LYS 18 HD3 LYS 18 10.287 -4.296 11.299 130 HE2 LYS 18 HE2 LYS 18 9.301 -4.712 13.451 131 HE3 LYS 18 HE3 LYS 18 7.948 -5.569 12.714 132 HZ1 LYS 18 HZ1 LYS 18 10.563 -6.526 13.381 133 HZ2 LYS 18 HZ2 LYS 18 10.139 -6.885 11.784 134 HZ3 LYS 18 HZ3 LYS 18 9.148 -7.394 13.057 135 HA PRO 19 HA PRO 19 7.200 -0.282 13.292 136 HB2 PRO 19 HB2 PRO 19 8.870 1.857 13.207 137 HB3 PRO 19 HB3 PRO 19 9.439 0.205 13.471 138 HG2 PRO 19 HG2 PRO 19 9.422 1.823 10.952 139 HG3 PRO 19 HG3 PRO 19 10.696 0.772 11.598 140 HD2 PRO 19 HD2 PRO 19 9.016 -0.018 9.627 141 HD3 PRO 19 HD3 PRO 19 9.679 -1.147 10.827 142 H ILE 20 H ILE 20 7.354 1.894 10.484 143 HA ILE 20 HA ILE 20 5.881 4.006 11.625 144 HB ILE 20 HB ILE 20 6.029 3.293 8.696 145 HG12 ILE 20 HG12 ILE 20 8.275 3.425 9.689 146 HG13 ILE 20 HG13 ILE 20 7.980 4.774 8.598 147 HG21 ILE 20 HG21 ILE 20 5.408 5.849 10.160 148 HG22 ILE 20 HG22 ILE 20 5.770 5.773 8.436 149 HG23 ILE 20 HG23 ILE 20 4.354 4.941 9.077 150 HD11 ILE 20 HD11 ILE 20 8.832 4.855 11.271 151 HD12 ILE 20 HD12 ILE 20 8.449 6.210 10.208 152 HD13 ILE 20 HD13 ILE 20 7.197 5.515 11.237 153 H CYS 21 H CYS 21 4.922 0.987 10.227 154 HA CYS 21 HA CYS 21 2.134 1.615 10.835 155 HB2 CYS 21 HB2 CYS 21 3.016 0.440 8.189 156 HB3 CYS 21 HB3 CYS 21 1.351 0.683 8.706 157 H ILE 22 H ILE 22 2.130 0.200 12.544 158 HA ILE 22 HA ILE 22 2.942 -2.568 12.083 159 HB ILE 22 HB ILE 22 1.877 -1.496 14.679 160 HG12 ILE 22 HG12 ILE 22 4.722 -1.323 13.660 161 HG13 ILE 22 HG13 ILE 22 3.650 0.036 13.982 162 HG21 ILE 22 HG21 ILE 22 3.948 -3.617 14.166 163 HG22 ILE 22 HG22 ILE 22 3.079 -3.287 15.663 164 HG23 ILE 22 HG23 ILE 22 2.222 -3.958 14.276 165 HD11 ILE 22 HD11 ILE 22 5.134 -1.702 15.869 166 HD12 ILE 22 HD12 ILE 22 4.885 0.044 15.887 167 HD13 ILE 22 HD13 ILE 22 3.585 -1.038 16.387 168 HA PRO 23 HA PRO 23 -1.241 -3.805 11.324 169 HB2 PRO 23 HB2 PRO 23 -0.838 -6.484 11.513 170 HB3 PRO 23 HB3 PRO 23 -0.336 -5.533 10.110 171 HG2 PRO 23 HG2 PRO 23 1.294 -6.487 12.433 172 HG3 PRO 23 HG3 PRO 23 1.701 -6.481 10.707 173 HD2 PRO 23 HD2 PRO 23 2.624 -4.606 12.428 174 HD3 PRO 23 HD3 PRO 23 2.282 -4.251 10.722 175 H THR 24 H THR 24 0.602 -4.974 14.094 176 HA THR 24 HA THR 24 -1.381 -6.255 15.537 177 HB THR 24 HB THR 24 1.055 -6.130 16.155 178 HG1 THR 24 HG1 THR 24 -0.733 -5.439 18.265 179 HG21 THR 24 HG21 THR 24 0.798 -3.463 16.062 180 HG22 THR 24 HG22 THR 24 2.021 -4.272 17.042 181 HG23 THR 24 HG23 THR 24 0.523 -3.715 17.785 182 H LEU 25 H LEU 25 -0.980 -2.885 14.893 183 HA LEU 25 HA LEU 25 -2.250 -1.652 16.996 184 HB2 LEU 25 HB2 LEU 25 -1.789 -1.064 14.177 185 HB3 LEU 25 HB3 LEU 25 -3.238 -0.293 14.819 186 HG LEU 25 HG LEU 25 -1.465 0.367 16.738 187 HD11 LEU 25 HD11 LEU 25 0.589 1.135 15.496 188 HD12 LEU 25 HD12 LEU 25 0.093 0.066 14.184 189 HD13 LEU 25 HD13 LEU 25 0.463 -0.602 15.773 190 HD21 LEU 25 HD21 LEU 25 -1.589 2.530 15.899 191 HD22 LEU 25 HD22 LEU 25 -3.022 1.756 15.221 192 HD23 LEU 25 HD23 LEU 25 -1.587 1.986 14.221 193 HA PRO 26 HA PRO 26 -6.483 -2.808 17.020 194 HB2 PRO 26 HB2 PRO 26 -7.731 -0.458 17.556 195 HB3 PRO 26 HB3 PRO 26 -6.779 -1.336 18.759 196 HG2 PRO 26 HG2 PRO 26 -6.002 1.014 17.075 197 HG3 PRO 26 HG3 PRO 26 -5.685 0.715 18.794 198 HD2 PRO 26 HD2 PRO 26 -3.819 0.303 16.876 199 HD3 PRO 26 HD3 PRO 26 -3.902 -0.678 18.353 200 HA PRO 27 HA PRO 27 -8.520 -2.078 13.192 201 HB2 PRO 27 HB2 PRO 27 -11.142 -2.082 13.896 202 HB3 PRO 27 HB3 PRO 27 -10.150 -3.545 13.878 203 HG2 PRO 27 HG2 PRO 27 -10.923 -1.809 16.191 204 HG3 PRO 27 HG3 PRO 27 -10.882 -3.579 16.085 205 HD2 PRO 27 HD2 PRO 27 -8.915 -2.144 17.271 206 HD3 PRO 27 HD3 PRO 27 -8.603 -3.671 16.421 207 H LEU 28 H LEU 28 -10.475 -0.720 12.250 208 HA LEU 28 HA LEU 28 -10.176 2.031 13.264 209 HB2 LEU 28 HB2 LEU 28 -9.221 1.300 10.946 210 HB3 LEU 28 HB3 LEU 28 -10.902 1.423 10.431 211 HG LEU 28 HG LEU 28 -10.899 3.795 11.168 212 HD11 LEU 28 HD11 LEU 28 -8.467 4.724 11.340 213 HD12 LEU 28 HD12 LEU 28 -8.089 3.087 11.876 214 HD13 LEU 28 HD13 LEU 28 -9.265 4.056 12.764 215 HD21 LEU 28 HD21 LEU 28 -10.587 3.930 8.957 216 HD22 LEU 28 HD22 LEU 28 -9.375 2.649 8.954 217 HD23 LEU 28 HD23 LEU 28 -8.911 4.302 9.361 218 H THR 29 H THR 29 -12.199 -0.008 13.965 219 HA THR 29 HA THR 29 -14.654 0.701 12.690 220 HB THR 29 HB THR 29 -14.374 -1.484 13.768 221 HG1 THR 29 HG1 THR 29 -16.475 -0.134 13.745 222 HG21 THR 29 HG21 THR 29 -13.156 -0.153 15.797 223 HG22 THR 29 HG22 THR 29 -13.782 -1.797 15.924 224 HG23 THR 29 HG23 THR 29 -14.751 -0.437 16.492 225 H GLY 30 H GLY 30 -12.926 1.800 15.540 226 HA2 GLY 30 HA2 GLY 30 -14.994 3.201 16.812 227 HA3 GLY 30 HA3 GLY 30 -13.282 3.573 16.952 228 H GLY 31 H GLY 31 -13.319 3.902 13.892 229 HA2 GLY 31 HA2 GLY 31 -14.344 6.671 13.956 230 HA3 GLY 31 HA3 GLY 31 -12.960 6.147 13.009 231 H HIS 32 H HIS 32 -16.241 4.818 13.378 232 HA HIS 32 HA HIS 32 -16.427 4.407 10.529 233 HB2 HIS 32 HB2 HIS 32 -17.360 2.859 12.340 234 HB3 HIS 32 HB3 HIS 32 -18.654 4.038 12.527 235 HD1 HIS 32 HD1 HIS 32 -20.523 3.989 10.833 236 HD2 HIS 32 HD2 HIS 32 -17.334 1.538 9.792 237 HE1 HIS 32 HE1 HIS 32 -21.325 2.641 8.868 238 H ALA 33 H ALA 33 -16.264 6.651 9.891 239 HA ALA 33 HA ALA 33 -18.133 8.619 10.651 240 HB1 ALA 33 HB1 ALA 33 -17.292 9.232 8.052 241 HB2 ALA 33 HB2 ALA 33 -16.621 9.832 9.569 242 HB3 ALA 33 HB3 ALA 33 -15.939 8.393 8.811 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 0.407 -0.476 2.649 2 HA2 GLY 1 HA2 GLY 1 1.240 -0.214 0.488 3 HA3 GLY 1 HA3 GLY 1 -0.340 -0.649 -0.147 4 H VAL 2 H VAL 2 1.469 1.970 1.400 5 HA VAL 2 HA VAL 2 0.129 3.893 -0.304 6 HB VAL 2 HB VAL 2 -0.365 5.385 1.697 7 HG11 VAL 2 HG11 VAL 2 -1.951 3.774 0.292 8 HG12 VAL 2 HG12 VAL 2 -2.156 3.031 1.879 9 HG13 VAL 2 HG13 VAL 2 -2.542 4.737 1.645 10 HG21 VAL 2 HG21 VAL 2 -0.877 4.117 3.802 11 HG22 VAL 2 HG22 VAL 2 -0.003 2.749 3.112 12 HG23 VAL 2 HG23 VAL 2 0.839 4.267 3.424 13 H LEU 3 H LEU 3 2.335 3.433 2.441 14 HA LEU 3 HA LEU 3 4.561 4.541 1.183 15 HB2 LEU 3 HB2 LEU 3 3.640 6.676 1.186 16 HB3 LEU 3 HB3 LEU 3 2.890 6.454 2.765 17 HG LEU 3 HG LEU 3 5.075 6.643 3.838 18 HD11 LEU 3 HD11 LEU 3 6.976 6.361 2.736 19 HD12 LEU 3 HD12 LEU 3 6.588 7.694 1.649 20 HD13 LEU 3 HD13 LEU 3 6.047 6.059 1.268 21 HD21 LEU 3 HD21 LEU 3 5.006 8.989 2.016 22 HD22 LEU 3 HD22 LEU 3 5.140 8.923 3.773 23 HD23 LEU 3 HD23 LEU 3 3.579 8.654 2.996 24 H GLY 4 H GLY 4 6.381 4.139 2.351 25 HA2 GLY 4 HA2 GLY 4 7.110 4.233 4.861 26 HA3 GLY 4 HA3 GLY 4 5.968 2.902 4.977 27 H ASN 5 H ASN 5 7.363 1.275 5.472 28 HA ASN 5 HA ASN 5 9.350 0.607 3.404 29 HB2 ASN 5 HB2 ASN 5 9.657 0.798 6.350 30 HB3 ASN 5 HB3 ASN 5 10.447 -0.566 5.565 31 HD21 ASN 5 HD21 ASN 5 12.518 0.097 5.820 32 HD22 ASN 5 HD22 ASN 5 13.178 1.506 5.069 33 H ASP 6 H ASP 6 7.758 -0.852 6.247 34 HA ASP 6 HA ASP 6 7.913 -3.497 5.467 35 HB2 ASP 6 HB2 ASP 6 7.036 -2.430 7.671 36 HB3 ASP 6 HB3 ASP 6 5.468 -2.457 6.868 37 H ALA 7 H ALA 7 5.920 -4.886 4.928 38 HA ALA 7 HA ALA 7 4.583 -3.670 2.602 39 HB1 ALA 7 HB1 ALA 7 4.585 -5.760 1.533 40 HB2 ALA 7 HB2 ALA 7 6.187 -5.615 2.257 41 HB3 ALA 7 HB3 ALA 7 4.959 -6.619 3.027 42 H GLU 8 H GLU 8 2.510 -3.220 2.909 43 HA GLU 8 HA GLU 8 1.014 -4.264 5.099 44 HB2 GLU 8 HB2 GLU 8 -0.666 -2.788 4.479 45 HB3 GLU 8 HB3 GLU 8 0.776 -1.986 3.874 46 HG2 GLU 8 HG2 GLU 8 0.327 -2.797 1.638 47 HG3 GLU 8 HG3 GLU 8 -1.077 -3.689 2.223 48 H GLY 9 H GLY 9 1.620 -5.351 1.923 49 HA2 GLY 9 HA2 GLY 9 0.649 -7.836 2.039 50 HA3 GLY 9 HA3 GLY 9 -0.821 -6.922 1.733 51 H ILE 10 H ILE 10 0.999 -4.985 0.169 52 HA ILE 10 HA ILE 10 0.649 -6.351 -2.371 53 HB ILE 10 HB ILE 10 1.798 -3.600 -2.158 54 HG12 ILE 10 HG12 ILE 10 -0.036 -3.534 -0.573 55 HG13 ILE 10 HG13 ILE 10 -0.512 -2.686 -2.040 56 HG21 ILE 10 HG21 ILE 10 0.576 -5.284 -4.172 57 HG22 ILE 10 HG22 ILE 10 -0.195 -3.701 -4.081 58 HG23 ILE 10 HG23 ILE 10 1.542 -3.821 -4.359 59 HD11 ILE 10 HD11 ILE 10 -1.463 -5.108 -2.624 60 HD12 ILE 10 HD12 ILE 10 -1.556 -5.178 -0.864 61 HD13 ILE 10 HD13 ILE 10 -2.388 -3.894 -1.741 62 H THR 11 H THR 11 2.369 -6.151 -4.042 63 HA THR 11 HA THR 11 4.938 -6.903 -2.869 64 HB THR 11 HB THR 11 4.090 -7.091 -5.764 65 HG1 THR 11 HG1 THR 11 2.834 -8.616 -4.968 66 HG21 THR 11 HG21 THR 11 6.398 -8.211 -4.187 67 HG22 THR 11 HG22 THR 11 6.450 -7.198 -5.629 68 HG23 THR 11 HG23 THR 11 5.904 -8.870 -5.746 69 H LEU 12 H LEU 12 3.441 -4.275 -4.448 70 HA LEU 12 HA LEU 12 5.450 -3.106 -5.925 71 HB2 LEU 12 HB2 LEU 12 3.507 -1.679 -4.115 72 HB3 LEU 12 HB3 LEU 12 4.377 -0.970 -5.474 73 HG LEU 12 HG LEU 12 2.570 -3.283 -5.989 74 HD11 LEU 12 HD11 LEU 12 1.472 -0.501 -5.923 75 HD12 LEU 12 HD12 LEU 12 1.430 -1.522 -4.486 76 HD13 LEU 12 HD13 LEU 12 0.613 -2.042 -5.960 77 HD21 LEU 12 HD21 LEU 12 2.158 -1.756 -8.029 78 HD22 LEU 12 HD22 LEU 12 3.701 -2.601 -7.899 79 HD23 LEU 12 HD23 LEU 12 3.592 -0.892 -7.474 80 H LEU 13 H LEU 13 6.683 -1.077 -5.299 81 HA LEU 13 HA LEU 13 8.458 -1.731 -3.161 82 HB2 LEU 13 HB2 LEU 13 9.630 -0.683 -4.794 83 HB3 LEU 13 HB3 LEU 13 8.275 0.346 -5.255 84 HG LEU 13 HG LEU 13 8.726 1.805 -3.347 85 HD11 LEU 13 HD11 LEU 13 9.636 0.525 -1.662 86 HD12 LEU 13 HD12 LEU 13 11.052 1.388 -2.259 87 HD13 LEU 13 HD13 LEU 13 10.771 -0.285 -2.741 88 HD21 LEU 13 HD21 LEU 13 11.383 1.496 -4.651 89 HD22 LEU 13 HD22 LEU 13 10.429 2.950 -4.356 90 HD23 LEU 13 HD23 LEU 13 9.983 1.852 -5.663 91 HA PRO 14 HA PRO 14 6.661 2.254 -1.108 92 HB2 PRO 14 HB2 PRO 14 4.455 3.357 -2.242 93 HB3 PRO 14 HB3 PRO 14 6.100 3.810 -2.703 94 HG2 PRO 14 HG2 PRO 14 4.203 1.930 -4.056 95 HG3 PRO 14 HG3 PRO 14 5.264 3.157 -4.772 96 HD2 PRO 14 HD2 PRO 14 5.894 0.524 -4.743 97 HD3 PRO 14 HD3 PRO 14 7.123 1.801 -4.650 98 H LEU 15 H LEU 15 6.049 0.769 0.475 99 HA LEU 15 HA LEU 15 3.190 0.052 0.478 100 HB2 LEU 15 HB2 LEU 15 5.607 -1.528 1.177 101 HB3 LEU 15 HB3 LEU 15 4.148 -1.788 2.131 102 HG LEU 15 HG LEU 15 4.606 -3.341 0.137 103 HD11 LEU 15 HD11 LEU 15 1.957 -2.601 -0.463 104 HD12 LEU 15 HD12 LEU 15 2.208 -2.261 1.249 105 HD13 LEU 15 HD13 LEU 15 2.513 -3.880 0.618 106 HD21 LEU 15 HD21 LEU 15 4.119 -2.616 -2.017 107 HD22 LEU 15 HD22 LEU 15 5.067 -1.288 -1.349 108 HD23 LEU 15 HD23 LEU 15 3.311 -1.155 -1.449 109 H CYS 16 H CYS 16 2.283 -0.254 2.684 110 HA CYS 16 HA CYS 16 2.748 2.034 4.270 111 HB2 CYS 16 HB2 CYS 16 0.577 0.796 4.108 112 HB3 CYS 16 HB3 CYS 16 1.289 -0.486 5.083 113 H PHE 17 H PHE 17 3.548 2.202 6.405 114 HA PHE 17 HA PHE 17 5.946 0.791 6.875 115 HB2 PHE 17 HB2 PHE 17 4.360 2.851 8.297 116 HB3 PHE 17 HB3 PHE 17 5.463 1.899 9.286 117 HD1 PHE 17 HD1 PHE 17 5.230 4.902 7.788 118 HD2 PHE 17 HD2 PHE 17 7.813 1.519 7.805 119 HE1 PHE 17 HE1 PHE 17 7.099 6.330 7.068 120 HE2 PHE 17 HE2 PHE 17 9.687 2.942 7.086 121 HZ PHE 17 HZ PHE 17 9.331 5.351 6.717 122 H LYS 18 H LYS 18 6.456 -0.429 8.865 123 HA LYS 18 HA LYS 18 4.698 -2.639 9.159 124 HB2 LYS 18 HB2 LYS 18 6.844 -3.337 9.500 125 HB3 LYS 18 HB3 LYS 18 7.331 -1.825 10.254 126 HG2 LYS 18 HG2 LYS 18 6.435 -2.459 12.339 127 HG3 LYS 18 HG3 LYS 18 5.551 -3.814 11.632 128 HD2 LYS 18 HD2 LYS 18 7.937 -4.624 10.933 129 HD3 LYS 18 HD3 LYS 18 8.467 -3.549 12.229 130 HE2 LYS 18 HE2 LYS 18 7.322 -4.772 13.864 131 HE3 LYS 18 HE3 LYS 18 6.310 -5.587 12.672 132 HZ1 LYS 18 HZ1 LYS 18 8.753 -6.371 11.921 133 HZ2 LYS 18 HZ2 LYS 18 7.762 -7.249 12.973 134 HZ3 LYS 18 HZ3 LYS 18 8.973 -6.244 13.594 135 HA PRO 19 HA PRO 19 3.963 -0.932 13.619 136 HB2 PRO 19 HB2 PRO 19 4.858 1.574 14.157 137 HB3 PRO 19 HB3 PRO 19 5.843 0.128 14.406 138 HG2 PRO 19 HG2 PRO 19 5.865 2.066 12.124 139 HG3 PRO 19 HG3 PRO 19 7.233 1.324 12.976 140 HD2 PRO 19 HD2 PRO 19 6.351 0.427 10.578 141 HD3 PRO 19 HD3 PRO 19 7.058 -0.650 11.799 142 H ILE 20 H ILE 20 3.500 0.686 10.695 143 HA ILE 20 HA ILE 20 1.342 2.364 11.758 144 HB ILE 20 HB ILE 20 2.578 2.316 9.003 145 HG12 ILE 20 HG12 ILE 20 4.050 3.218 10.776 146 HG13 ILE 20 HG13 ILE 20 3.561 4.457 9.624 147 HG21 ILE 20 HG21 ILE 20 1.288 4.490 8.772 148 HG22 ILE 20 HG22 ILE 20 0.345 3.002 8.716 149 HG23 ILE 20 HG23 ILE 20 0.370 3.974 10.187 150 HD11 ILE 20 HD11 ILE 20 2.745 5.696 11.258 151 HD12 ILE 20 HD12 ILE 20 1.696 4.379 11.785 152 HD13 ILE 20 HD13 ILE 20 3.338 4.506 12.417 153 H CYS 21 H CYS 21 1.939 -0.510 9.950 154 HA CYS 21 HA CYS 21 -0.957 -0.827 9.549 155 HB2 CYS 21 HB2 CYS 21 1.239 -1.100 7.551 156 HB3 CYS 21 HB3 CYS 21 -0.104 -2.235 7.458 157 H ILE 22 H ILE 22 -1.351 -2.272 11.141 158 HA ILE 22 HA ILE 22 0.037 -4.855 10.949 159 HB ILE 22 HB ILE 22 -0.605 -3.386 13.508 160 HG12 ILE 22 HG12 ILE 22 1.466 -2.664 12.382 161 HG13 ILE 22 HG13 ILE 22 1.807 -3.493 13.897 162 HG21 ILE 22 HG21 ILE 22 -1.132 -5.762 13.710 163 HG22 ILE 22 HG22 ILE 22 0.481 -6.173 13.130 164 HG23 ILE 22 HG23 ILE 22 0.285 -5.339 14.671 165 HD11 ILE 22 HD11 ILE 22 2.359 -5.521 12.662 166 HD12 ILE 22 HD12 ILE 22 2.018 -4.688 11.145 167 HD13 ILE 22 HD13 ILE 22 3.360 -4.159 12.160 168 HA PRO 23 HA PRO 23 -4.124 -6.348 10.716 169 HB2 PRO 23 HB2 PRO 23 -3.547 -8.990 10.954 170 HB3 PRO 23 HB3 PRO 23 -3.261 -8.074 9.469 171 HG2 PRO 23 HG2 PRO 23 -1.330 -8.839 11.625 172 HG3 PRO 23 HG3 PRO 23 -1.117 -8.885 9.865 173 HD2 PRO 23 HD2 PRO 23 -0.120 -6.891 11.402 174 HD3 PRO 23 HD3 PRO 23 -0.670 -6.627 9.735 175 H THR 24 H THR 24 -1.932 -7.533 13.245 176 HA THR 24 HA THR 24 -3.962 -8.557 14.936 177 HB THR 24 HB THR 24 -2.230 -8.560 16.702 178 HG1 THR 24 HG1 THR 24 -0.999 -6.782 16.306 179 HG21 THR 24 HG21 THR 24 -1.706 -9.681 13.988 180 HG22 THR 24 HG22 THR 24 -2.081 -10.513 15.498 181 HG23 THR 24 HG23 THR 24 -0.467 -9.853 15.230 182 H LEU 25 H LEU 25 -2.967 -5.386 14.230 183 HA LEU 25 HA LEU 25 -3.887 -4.287 16.765 184 HB2 LEU 25 HB2 LEU 25 -2.625 -3.106 14.312 185 HB3 LEU 25 HB3 LEU 25 -3.339 -2.090 15.562 186 HG LEU 25 HG LEU 25 -1.043 -4.009 15.952 187 HD11 LEU 25 HD11 LEU 25 -0.770 -1.080 16.294 188 HD12 LEU 25 HD12 LEU 25 -0.848 -1.703 14.646 189 HD13 LEU 25 HD13 LEU 25 0.406 -2.275 15.747 190 HD21 LEU 25 HD21 LEU 25 -1.372 -3.815 18.136 191 HD22 LEU 25 HD22 LEU 25 -2.866 -2.934 17.814 192 HD23 LEU 25 HD23 LEU 25 -1.349 -2.055 18.013 193 HA PRO 26 HA PRO 26 -7.958 -3.267 15.481 194 HB2 PRO 26 HB2 PRO 26 -8.344 -0.878 16.711 195 HB3 PRO 26 HB3 PRO 26 -8.291 -2.412 17.587 196 HG2 PRO 26 HG2 PRO 26 -6.143 -0.357 17.235 197 HG3 PRO 26 HG3 PRO 26 -6.604 -1.256 18.693 198 HD2 PRO 26 HD2 PRO 26 -4.469 -1.940 17.174 199 HD3 PRO 26 HD3 PRO 26 -5.440 -3.139 18.053 200 HA PRO 27 HA PRO 27 -8.044 -0.572 12.008 201 HB2 PRO 27 HB2 PRO 27 -10.542 0.485 12.130 202 HB3 PRO 27 HB3 PRO 27 -10.231 -1.197 11.685 203 HG2 PRO 27 HG2 PRO 27 -11.083 -0.061 14.321 204 HG3 PRO 27 HG3 PRO 27 -11.667 -1.512 13.487 205 HD2 PRO 27 HD2 PRO 27 -9.881 -1.619 15.519 206 HD3 PRO 27 HD3 PRO 27 -9.875 -2.785 14.181 207 H LEU 28 H LEU 28 -9.034 1.786 11.432 208 HA LEU 28 HA LEU 28 -7.913 3.601 13.462 209 HB2 LEU 28 HB2 LEU 28 -7.208 5.045 11.737 210 HB3 LEU 28 HB3 LEU 28 -6.734 3.418 11.251 211 HG LEU 28 HG LEU 28 -9.066 3.569 9.960 212 HD11 LEU 28 HD11 LEU 28 -8.961 5.971 8.937 213 HD12 LEU 28 HD12 LEU 28 -8.232 6.382 10.489 214 HD13 LEU 28 HD13 LEU 28 -9.847 5.676 10.433 215 HD21 LEU 28 HD21 LEU 28 -6.475 4.770 8.988 216 HD22 LEU 28 HD22 LEU 28 -7.796 4.192 7.971 217 HD23 LEU 28 HD23 LEU 28 -6.891 3.056 8.973 218 H THR 29 H THR 29 -10.592 3.003 11.291 219 HA THR 29 HA THR 29 -11.962 5.395 11.393 220 HB THR 29 HB THR 29 -13.263 2.669 11.531 221 HG1 THR 29 HG1 THR 29 -13.003 2.583 9.333 222 HG21 THR 29 HG21 THR 29 -14.986 4.206 11.764 223 HG22 THR 29 HG22 THR 29 -14.923 3.982 10.015 224 HG23 THR 29 HG23 THR 29 -14.189 5.407 10.749 225 H GLY 30 H GLY 30 -12.038 2.725 13.735 226 HA2 GLY 30 HA2 GLY 30 -13.970 3.927 15.440 227 HA3 GLY 30 HA3 GLY 30 -12.898 2.601 15.864 228 H GLY 31 H GLY 31 -10.587 4.430 15.024 229 HA2 GLY 31 HA2 GLY 31 -9.783 5.236 17.558 230 HA3 GLY 31 HA3 GLY 31 -9.127 5.869 16.056 231 H HIS 32 H HIS 32 -11.485 7.087 15.073 232 HA HIS 32 HA HIS 32 -11.675 9.344 16.946 233 HB2 HIS 32 HB2 HIS 32 -10.732 9.871 14.734 234 HB3 HIS 32 HB3 HIS 32 -12.197 9.266 13.966 235 HD1 HIS 32 HD1 HIS 32 -13.278 11.297 13.036 236 HD2 HIS 32 HD2 HIS 32 -11.973 11.873 16.938 237 HE1 HIS 32 HE1 HIS 32 -14.107 13.579 13.692 238 H ALA 33 H ALA 33 -13.669 10.290 17.418 239 HA ALA 33 HA ALA 33 -15.988 8.557 16.877 240 HB1 ALA 33 HB1 ALA 33 -15.084 9.073 19.286 241 HB2 ALA 33 HB2 ALA 33 -16.004 10.564 19.079 242 HB3 ALA 33 HB3 ALA 33 -16.818 9.003 18.967 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 2.186 -0.656 0.832 2 HA2 GLY 1 HA2 GLY 1 3.620 -1.062 -0.947 3 HA3 GLY 1 HA3 GLY 1 2.241 -1.601 -1.894 4 H VAL 2 H VAL 2 3.642 1.368 -0.517 5 HA VAL 2 HA VAL 2 3.347 2.694 -3.078 6 HB VAL 2 HB VAL 2 2.219 4.684 -1.978 7 HG11 VAL 2 HG11 VAL 2 0.383 2.323 -1.981 8 HG12 VAL 2 HG12 VAL 2 0.120 3.949 -2.615 9 HG13 VAL 2 HG13 VAL 2 1.179 2.828 -3.472 10 HG21 VAL 2 HG21 VAL 2 1.703 2.600 0.135 11 HG22 VAL 2 HG22 VAL 2 2.495 4.163 0.333 12 HG23 VAL 2 HG23 VAL 2 0.769 4.088 -0.019 13 H LEU 3 H LEU 3 4.175 3.043 0.354 14 HA LEU 3 HA LEU 3 6.814 3.816 -0.087 15 HB2 LEU 3 HB2 LEU 3 6.184 5.855 -1.009 16 HB3 LEU 3 HB3 LEU 3 4.837 6.053 0.110 17 HG LEU 3 HG LEU 3 6.458 6.498 1.925 18 HD11 LEU 3 HD11 LEU 3 8.321 5.611 -0.090 19 HD12 LEU 3 HD12 LEU 3 8.562 5.850 1.640 20 HD13 LEU 3 HD13 LEU 3 8.758 7.204 0.528 21 HD21 LEU 3 HD21 LEU 3 7.324 8.496 -0.003 22 HD22 LEU 3 HD22 LEU 3 6.337 8.674 1.448 23 HD23 LEU 3 HD23 LEU 3 5.590 8.183 -0.074 24 H GLY 4 H GLY 4 7.893 3.507 1.763 25 HA2 GLY 4 HA2 GLY 4 7.400 4.396 4.277 26 HA3 GLY 4 HA3 GLY 4 6.398 2.956 4.170 27 H ASN 5 H ASN 5 7.344 1.319 5.173 28 HA ASN 5 HA ASN 5 10.130 0.701 4.540 29 HB2 ASN 5 HB2 ASN 5 9.061 1.400 7.227 30 HB3 ASN 5 HB3 ASN 5 10.211 0.068 7.141 31 HD21 ASN 5 HD21 ASN 5 11.123 1.981 8.571 32 HD22 ASN 5 HD22 ASN 5 12.250 2.992 7.739 33 H ASP 6 H ASP 6 7.561 -0.459 6.729 34 HA ASP 6 HA ASP 6 8.164 -3.177 6.460 35 HB2 ASP 6 HB2 ASP 6 6.506 -1.796 8.061 36 HB3 ASP 6 HB3 ASP 6 5.327 -2.428 6.915 37 H ALA 7 H ALA 7 6.017 -4.601 5.738 38 HA ALA 7 HA ALA 7 5.676 -3.949 2.884 39 HB1 ALA 7 HB1 ALA 7 5.760 -6.663 4.196 40 HB2 ALA 7 HB2 ALA 7 5.495 -6.359 2.479 41 HB3 ALA 7 HB3 ALA 7 7.037 -5.935 3.222 42 H GLU 8 H GLU 8 3.687 -3.304 2.409 43 HA GLU 8 HA GLU 8 1.470 -3.699 4.149 44 HB2 GLU 8 HB2 GLU 8 0.274 -2.328 2.715 45 HB3 GLU 8 HB3 GLU 8 1.926 -1.796 2.432 46 HG2 GLU 8 HG2 GLU 8 2.041 -3.137 0.417 47 HG3 GLU 8 HG3 GLU 8 0.414 -3.747 0.711 48 H GLY 9 H GLY 9 2.874 -5.585 1.682 49 HA2 GLY 9 HA2 GLY 9 1.620 -7.908 2.003 50 HA3 GLY 9 HA3 GLY 9 0.416 -7.028 1.073 51 H ILE 10 H ILE 10 2.855 -5.618 -0.214 52 HA ILE 10 HA ILE 10 3.087 -7.538 -2.388 53 HB ILE 10 HB ILE 10 4.420 -4.863 -2.438 54 HG12 ILE 10 HG12 ILE 10 2.219 -4.352 -1.552 55 HG13 ILE 10 HG13 ILE 10 2.293 -3.859 -3.240 56 HG21 ILE 10 HG21 ILE 10 3.048 -5.387 -4.807 57 HG22 ILE 10 HG22 ILE 10 4.779 -5.556 -4.519 58 HG23 ILE 10 HG23 ILE 10 3.710 -6.942 -4.304 59 HD11 ILE 10 HD11 ILE 10 0.469 -5.038 -3.630 60 HD12 ILE 10 HD12 ILE 10 1.340 -6.509 -3.195 61 HD13 ILE 10 HD13 ILE 10 0.455 -5.611 -1.962 62 H THR 11 H THR 11 5.226 -7.821 -3.449 63 HA THR 11 HA THR 11 7.247 -8.365 -1.410 64 HB THR 11 HB THR 11 7.438 -9.186 -4.299 65 HG1 THR 11 HG1 THR 11 5.952 -10.391 -2.196 66 HG21 THR 11 HG21 THR 11 9.135 -10.514 -3.633 67 HG22 THR 11 HG22 THR 11 8.332 -10.954 -2.126 68 HG23 THR 11 HG23 THR 11 9.205 -9.427 -2.247 69 H LEU 12 H LEU 12 6.564 -6.121 -3.877 70 HA LEU 12 HA LEU 12 9.024 -5.426 -4.904 71 HB2 LEU 12 HB2 LEU 12 6.797 -3.558 -4.105 72 HB3 LEU 12 HB3 LEU 12 8.113 -3.175 -5.213 73 HG LEU 12 HG LEU 12 6.324 -5.474 -5.849 74 HD11 LEU 12 HD11 LEU 12 4.603 -4.175 -6.694 75 HD12 LEU 12 HD12 LEU 12 5.570 -2.701 -6.679 76 HD13 LEU 12 HD13 LEU 12 4.975 -3.380 -5.164 77 HD21 LEU 12 HD21 LEU 12 8.225 -5.115 -7.267 78 HD22 LEU 12 HD22 LEU 12 7.821 -3.408 -7.455 79 HD23 LEU 12 HD23 LEU 12 6.773 -4.645 -8.150 80 H LEU 13 H LEU 13 10.263 -3.375 -4.382 81 HA LEU 13 HA LEU 13 11.280 -3.589 -1.723 82 HB2 LEU 13 HB2 LEU 13 12.974 -3.014 -3.115 83 HB3 LEU 13 HB3 LEU 13 11.931 -2.061 -4.167 84 HG LEU 13 HG LEU 13 11.995 -0.215 -2.565 85 HD11 LEU 13 HD11 LEU 13 12.244 -1.109 -0.455 86 HD12 LEU 13 HD12 LEU 13 13.857 -0.469 -0.770 87 HD13 LEU 13 HD13 LEU 13 13.543 -2.195 -0.951 88 HD21 LEU 13 HD21 LEU 13 13.878 -0.837 -4.342 89 HD22 LEU 13 HD22 LEU 13 14.863 -0.894 -2.880 90 HD23 LEU 13 HD23 LEU 13 13.991 0.581 -3.300 91 HA PRO 14 HA PRO 14 9.453 0.851 -1.194 92 HB2 PRO 14 HB2 PRO 14 7.793 1.758 -3.141 93 HB3 PRO 14 HB3 PRO 14 9.542 2.009 -3.176 94 HG2 PRO 14 HG2 PRO 14 7.894 -0.044 -4.601 95 HG3 PRO 14 HG3 PRO 14 9.247 0.926 -5.213 96 HD2 PRO 14 HD2 PRO 14 9.537 -1.652 -4.438 97 HD3 PRO 14 HD3 PRO 14 10.830 -0.450 -4.257 98 H LEU 15 H LEU 15 8.267 -0.225 0.406 99 HA LEU 15 HA LEU 15 5.451 -0.753 -0.284 100 HB2 LEU 15 HB2 LEU 15 7.377 -2.276 1.388 101 HB3 LEU 15 HB3 LEU 15 5.692 -2.232 1.904 102 HG LEU 15 HG LEU 15 6.492 -4.214 0.477 103 HD11 LEU 15 HD11 LEU 15 4.294 -4.497 0.448 104 HD12 LEU 15 HD12 LEU 15 4.220 -3.506 -1.008 105 HD13 LEU 15 HD13 LEU 15 4.025 -2.758 0.577 106 HD21 LEU 15 HD21 LEU 15 5.947 -2.364 -1.816 107 HD22 LEU 15 HD22 LEU 15 6.702 -3.958 -1.825 108 HD23 LEU 15 HD23 LEU 15 7.581 -2.570 -1.183 109 H CYS 16 H CYS 16 3.929 -0.454 1.524 110 HA CYS 16 HA CYS 16 4.324 2.070 2.767 111 HB2 CYS 16 HB2 CYS 16 2.119 0.874 2.022 112 HB3 CYS 16 HB3 CYS 16 2.180 0.158 3.630 113 H PHE 17 H PHE 17 4.066 2.459 5.110 114 HA PHE 17 HA PHE 17 6.022 1.071 6.587 115 HB2 PHE 17 HB2 PHE 17 3.906 3.074 7.351 116 HB3 PHE 17 HB3 PHE 17 4.985 2.370 8.551 117 HD1 PHE 17 HD1 PHE 17 7.545 2.496 7.922 118 HD2 PHE 17 HD2 PHE 17 4.519 5.046 6.353 119 HE1 PHE 17 HE1 PHE 17 9.253 4.181 7.376 120 HE2 PHE 17 HE2 PHE 17 6.222 6.734 5.804 121 HZ PHE 17 HZ PHE 17 8.593 6.303 6.315 122 H LYS 18 H LYS 18 5.509 0.204 8.859 123 HA LYS 18 HA LYS 18 3.902 -2.115 8.560 124 HB2 LYS 18 HB2 LYS 18 5.590 -2.555 10.031 125 HB3 LYS 18 HB3 LYS 18 5.584 -0.926 10.693 126 HG2 LYS 18 HG2 LYS 18 3.767 -1.402 12.115 127 HG3 LYS 18 HG3 LYS 18 3.404 -2.908 11.270 128 HD2 LYS 18 HD2 LYS 18 5.539 -3.843 12.042 129 HD3 LYS 18 HD3 LYS 18 5.881 -2.339 12.901 130 HE2 LYS 18 HE2 LYS 18 3.671 -2.738 14.116 131 HE3 LYS 18 HE3 LYS 18 3.740 -4.373 13.460 132 HZ1 LYS 18 HZ1 LYS 18 5.946 -4.598 14.523 133 HZ2 LYS 18 HZ2 LYS 18 4.690 -4.378 15.633 134 HZ3 LYS 18 HZ3 LYS 18 5.722 -3.091 15.259 135 HA PRO 19 HA PRO 19 0.947 0.008 11.739 136 HB2 PRO 19 HB2 PRO 19 1.371 2.636 12.272 137 HB3 PRO 19 HB3 PRO 19 2.132 1.334 13.194 138 HG2 PRO 19 HG2 PRO 19 3.261 2.990 10.971 139 HG3 PRO 19 HG3 PRO 19 4.023 2.492 12.493 140 HD2 PRO 19 HD2 PRO 19 4.513 1.243 10.141 141 HD3 PRO 19 HD3 PRO 19 4.528 0.388 11.697 142 H ILE 20 H ILE 20 2.061 1.389 8.823 143 HA ILE 20 HA ILE 20 -0.515 2.732 8.363 144 HB ILE 20 HB ILE 20 1.945 3.002 6.646 145 HG12 ILE 20 HG12 ILE 20 2.511 3.695 8.932 146 HG13 ILE 20 HG13 ILE 20 2.431 5.085 7.855 147 HG21 ILE 20 HG21 ILE 20 -0.045 3.705 5.538 148 HG22 ILE 20 HG22 ILE 20 -0.582 4.610 6.952 149 HG23 ILE 20 HG23 ILE 20 0.823 5.156 6.037 150 HD11 ILE 20 HD11 ILE 20 -0.133 4.838 8.907 151 HD12 ILE 20 HD12 ILE 20 0.960 4.543 10.260 152 HD13 ILE 20 HD13 ILE 20 1.089 6.036 9.331 153 H CYS 21 H CYS 21 -1.601 2.423 6.353 154 HA CYS 21 HA CYS 21 -2.503 1.156 4.694 155 HB2 CYS 21 HB2 CYS 21 0.335 0.147 4.400 156 HB3 CYS 21 HB3 CYS 21 -0.952 -0.064 3.218 157 H ILE 22 H ILE 22 -3.287 0.140 6.908 158 HA ILE 22 HA ILE 22 -2.637 -2.733 6.867 159 HB ILE 22 HB ILE 22 -3.855 -1.133 9.120 160 HG12 ILE 22 HG12 ILE 22 -1.093 -2.348 8.934 161 HG13 ILE 22 HG13 ILE 22 -1.440 -0.649 8.629 162 HG21 ILE 22 HG21 ILE 22 -2.886 -3.987 9.083 163 HG22 ILE 22 HG22 ILE 22 -3.601 -3.135 10.450 164 HG23 ILE 22 HG23 ILE 22 -4.577 -3.490 9.025 165 HD11 ILE 22 HD11 ILE 22 -2.533 -0.830 11.031 166 HD12 ILE 22 HD12 ILE 22 -1.370 -2.148 11.179 167 HD13 ILE 22 HD13 ILE 22 -0.813 -0.518 10.800 168 HA PRO 23 HA PRO 23 -6.712 -3.424 5.290 169 HB2 PRO 23 HB2 PRO 23 -6.797 -6.105 5.711 170 HB3 PRO 23 HB3 PRO 23 -5.863 -5.367 4.405 171 HG2 PRO 23 HG2 PRO 23 -4.937 -6.336 7.081 172 HG3 PRO 23 HG3 PRO 23 -4.178 -6.545 5.492 173 HD2 PRO 23 HD2 PRO 23 -3.349 -4.677 7.269 174 HD3 PRO 23 HD3 PRO 23 -3.261 -4.430 5.513 175 H THR 24 H THR 24 -5.824 -5.071 8.326 176 HA THR 24 HA THR 24 -8.483 -5.384 9.243 177 HB THR 24 HB THR 24 -7.424 -5.775 11.484 178 HG1 THR 24 HG1 THR 24 -5.182 -5.718 11.614 179 HG21 THR 24 HG21 THR 24 -6.198 -7.266 9.160 180 HG22 THR 24 HG22 THR 24 -7.759 -7.613 9.903 181 HG23 THR 24 HG23 THR 24 -6.274 -7.837 10.826 182 H LEU 25 H LEU 25 -6.351 -2.702 9.195 183 HA LEU 25 HA LEU 25 -6.550 -0.552 9.909 184 HB2 LEU 25 HB2 LEU 25 -9.267 -1.535 9.669 185 HB3 LEU 25 HB3 LEU 25 -9.126 -0.292 10.910 186 HG LEU 25 HG LEU 25 -7.774 0.832 8.811 187 HD11 LEU 25 HD11 LEU 25 -9.258 0.573 6.861 188 HD12 LEU 25 HD12 LEU 25 -10.108 -0.722 7.705 189 HD13 LEU 25 HD13 LEU 25 -8.410 -0.918 7.273 190 HD21 LEU 25 HD21 LEU 25 -9.798 2.216 8.545 191 HD22 LEU 25 HD22 LEU 25 -9.357 1.974 10.235 192 HD23 LEU 25 HD23 LEU 25 -10.693 1.061 9.532 193 HA PRO 26 HA PRO 26 -5.870 -0.465 14.243 194 HB2 PRO 26 HB2 PRO 26 -6.571 2.075 14.897 195 HB3 PRO 26 HB3 PRO 26 -5.107 1.686 13.986 196 HG2 PRO 26 HG2 PRO 26 -7.760 2.648 12.987 197 HG3 PRO 26 HG3 PRO 26 -6.131 3.153 12.501 198 HD2 PRO 26 HD2 PRO 26 -7.612 1.416 11.045 199 HD3 PRO 26 HD3 PRO 26 -5.841 1.330 11.121 200 HA PRO 27 HA PRO 27 -9.506 -1.208 16.602 201 HB2 PRO 27 HB2 PRO 27 -8.849 -0.222 19.045 202 HB3 PRO 27 HB3 PRO 27 -8.144 -1.702 18.385 203 HG2 PRO 27 HG2 PRO 27 -7.010 1.067 18.456 204 HG3 PRO 27 HG3 PRO 27 -6.209 -0.479 18.793 205 HD2 PRO 27 HD2 PRO 27 -5.945 0.814 16.428 206 HD3 PRO 27 HD3 PRO 27 -5.913 -0.956 16.557 207 H LEU 28 H LEU 28 -10.739 0.107 18.597 208 HA LEU 28 HA LEU 28 -11.377 2.755 17.473 209 HB2 LEU 28 HB2 LEU 28 -13.716 2.286 18.382 210 HB3 LEU 28 HB3 LEU 28 -13.225 1.464 16.903 211 HG LEU 28 HG LEU 28 -14.525 0.094 18.588 212 HD11 LEU 28 HD11 LEU 28 -12.507 -0.583 16.832 213 HD12 LEU 28 HD12 LEU 28 -13.644 -1.694 17.596 214 HD13 LEU 28 HD13 LEU 28 -12.061 -1.417 18.321 215 HD21 LEU 28 HD21 LEU 28 -11.891 0.157 20.058 216 HD22 LEU 28 HD22 LEU 28 -13.302 -0.816 20.473 217 HD23 LEU 28 HD23 LEU 28 -13.378 0.942 20.591 218 H THR 29 H THR 29 -9.525 2.106 19.610 219 HA THR 29 HA THR 29 -10.817 2.787 22.095 220 HB THR 29 HB THR 29 -7.862 2.659 21.462 221 HG1 THR 29 HG1 THR 29 -9.572 0.698 22.633 222 HG21 THR 29 HG21 THR 29 -9.400 2.777 24.053 223 HG22 THR 29 HG22 THR 29 -8.176 3.903 23.468 224 HG23 THR 29 HG23 THR 29 -7.714 2.272 23.952 225 H GLY 30 H GLY 30 -9.119 4.462 19.552 226 HA2 GLY 30 HA2 GLY 30 -9.122 6.933 21.153 227 HA3 GLY 30 HA3 GLY 30 -8.148 6.656 19.717 228 H GLY 31 H GLY 31 -11.417 5.605 19.588 229 HA2 GLY 31 HA2 GLY 31 -12.030 7.896 17.831 230 HA3 GLY 31 HA3 GLY 31 -12.708 6.286 17.644 231 H HIS 32 H HIS 32 -13.087 6.108 20.614 232 HA HIS 32 HA HIS 32 -15.718 7.298 20.653 233 HB2 HIS 32 HB2 HIS 32 -16.080 6.048 22.665 234 HB3 HIS 32 HB3 HIS 32 -15.215 5.000 21.545 235 HD1 HIS 32 HD1 HIS 32 -13.031 4.047 22.327 236 HD2 HIS 32 HD2 HIS 32 -14.419 7.088 24.794 237 HE1 HIS 32 HE1 HIS 32 -11.503 4.042 24.325 238 H ALA 33 H ALA 33 -16.434 8.378 22.757 239 HA ALA 33 HA ALA 33 -15.094 10.809 23.051 240 HB1 ALA 33 HB1 ALA 33 -17.520 10.224 23.612 241 HB2 ALA 33 HB2 ALA 33 -16.894 9.681 25.170 242 HB3 ALA 33 HB3 ALA 33 -16.686 11.360 24.673 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 2.296 0.298 1.792 2 HA2 GLY 1 HA2 GLY 1 2.621 -0.301 -0.439 3 HA3 GLY 1 HA3 GLY 1 0.887 -0.180 -0.699 4 H VAL 2 H VAL 2 3.454 2.074 0.333 5 HA VAL 2 HA VAL 2 3.007 3.719 -2.007 6 HB VAL 2 HB VAL 2 2.688 5.783 -0.539 7 HG11 VAL 2 HG11 VAL 2 0.937 4.326 -1.909 8 HG12 VAL 2 HG12 VAL 2 0.263 4.093 -0.295 9 HG13 VAL 2 HG13 VAL 2 0.450 5.721 -0.946 10 HG21 VAL 2 HG21 VAL 2 1.481 5.304 1.607 11 HG22 VAL 2 HG22 VAL 2 1.989 3.623 1.443 12 HG23 VAL 2 HG23 VAL 2 3.197 4.896 1.616 13 H LEU 3 H LEU 3 4.527 3.539 1.200 14 HA LEU 3 HA LEU 3 7.148 3.634 0.281 15 HB2 LEU 3 HB2 LEU 3 7.038 5.801 -0.472 16 HB3 LEU 3 HB3 LEU 3 5.878 6.283 0.764 17 HG LEU 3 HG LEU 3 7.698 6.259 2.435 18 HD11 LEU 3 HD11 LEU 3 9.643 5.285 2.018 19 HD12 LEU 3 HD12 LEU 3 9.926 6.376 0.663 20 HD13 LEU 3 HD13 LEU 3 9.070 4.856 0.406 21 HD21 LEU 3 HD21 LEU 3 7.070 8.199 0.668 22 HD22 LEU 3 HD22 LEU 3 8.793 8.015 0.341 23 HD23 LEU 3 HD23 LEU 3 8.240 8.395 1.972 24 H GLY 4 H GLY 4 8.461 3.019 1.899 25 HA2 GLY 4 HA2 GLY 4 8.375 3.888 4.549 26 HA3 GLY 4 HA3 GLY 4 7.397 2.431 4.451 27 H ASN 5 H ASN 5 8.448 0.650 4.986 28 HA ASN 5 HA ASN 5 11.123 0.168 3.976 29 HB2 ASN 5 HB2 ASN 5 11.587 1.341 6.070 30 HB3 ASN 5 HB3 ASN 5 10.547 0.222 6.947 31 HD21 ASN 5 HD21 ASN 5 11.985 -0.725 8.262 32 HD22 ASN 5 HD22 ASN 5 13.358 -1.629 7.729 33 H ASP 6 H ASP 6 9.283 -1.230 6.677 34 HA ASP 6 HA ASP 6 9.737 -3.889 5.929 35 HB2 ASP 6 HB2 ASP 6 9.101 -3.413 8.185 36 HB3 ASP 6 HB3 ASP 6 7.604 -2.644 7.666 37 H ALA 7 H ALA 7 6.404 -2.805 6.169 38 HA ALA 7 HA ALA 7 5.681 -2.849 3.483 39 HB1 ALA 7 HB1 ALA 7 5.989 -5.021 2.999 40 HB2 ALA 7 HB2 ALA 7 5.974 -5.508 4.695 41 HB3 ALA 7 HB3 ALA 7 4.454 -5.236 3.842 42 H GLU 8 H GLU 8 3.286 -3.135 3.181 43 HA GLU 8 HA GLU 8 1.857 -2.418 5.657 44 HB2 GLU 8 HB2 GLU 8 0.651 -0.775 4.559 45 HB3 GLU 8 HB3 GLU 8 2.227 -0.632 3.793 46 HG2 GLU 8 HG2 GLU 8 1.448 -1.928 1.895 47 HG3 GLU 8 HG3 GLU 8 -0.123 -2.140 2.668 48 H GLY 9 H GLY 9 2.136 -4.638 3.154 49 HA2 GLY 9 HA2 GLY 9 0.492 -6.564 3.873 50 HA3 GLY 9 HA3 GLY 9 -0.681 -5.427 3.225 51 H ILE 10 H ILE 10 1.375 -4.542 1.202 52 HA ILE 10 HA ILE 10 0.718 -6.575 -0.769 53 HB ILE 10 HB ILE 10 2.325 -4.164 -1.468 54 HG12 ILE 10 HG12 ILE 10 0.655 -3.235 0.030 55 HG13 ILE 10 HG13 ILE 10 0.239 -2.824 -1.631 56 HG21 ILE 10 HG21 ILE 10 1.857 -4.993 -3.476 57 HG22 ILE 10 HG22 ILE 10 0.711 -6.149 -2.798 58 HG23 ILE 10 HG23 ILE 10 0.180 -4.518 -3.209 59 HD11 ILE 10 HD11 ILE 10 -1.350 -4.106 0.313 60 HD12 ILE 10 HD12 ILE 10 -1.759 -3.719 -1.358 61 HD13 ILE 10 HD13 ILE 10 -1.030 -5.276 -0.966 62 H THR 11 H THR 11 2.424 -7.142 -2.408 63 HA THR 11 HA THR 11 4.888 -7.859 -0.985 64 HB THR 11 HB THR 11 3.893 -8.979 -3.609 65 HG1 THR 11 HG1 THR 11 3.284 -10.791 -2.197 66 HG21 THR 11 HG21 THR 11 6.094 -9.703 -1.700 67 HG22 THR 11 HG22 THR 11 6.171 -9.472 -3.447 68 HG23 THR 11 HG23 THR 11 5.393 -10.907 -2.781 69 H LEU 12 H LEU 12 3.711 -5.774 -3.396 70 HA LEU 12 HA LEU 12 5.758 -5.564 -5.227 71 HB2 LEU 12 HB2 LEU 12 4.172 -3.303 -4.019 72 HB3 LEU 12 HB3 LEU 12 5.076 -3.234 -5.531 73 HG LEU 12 HG LEU 12 2.886 -5.243 -5.220 74 HD11 LEU 12 HD11 LEU 12 2.275 -2.726 -4.593 75 HD12 LEU 12 HD12 LEU 12 1.184 -3.774 -5.499 76 HD13 LEU 12 HD13 LEU 12 2.187 -2.599 -6.350 77 HD21 LEU 12 HD21 LEU 12 2.667 -4.719 -7.661 78 HD22 LEU 12 HD22 LEU 12 4.208 -5.437 -7.191 79 HD23 LEU 12 HD23 LEU 12 4.101 -3.705 -7.507 80 H LEU 13 H LEU 13 7.325 -3.672 -5.393 81 HA LEU 13 HA LEU 13 9.167 -3.845 -3.231 82 HB2 LEU 13 HB2 LEU 13 10.313 -3.558 -5.165 83 HB3 LEU 13 HB3 LEU 13 9.066 -2.538 -5.879 84 HG LEU 13 HG LEU 13 9.869 -0.634 -4.572 85 HD11 LEU 13 HD11 LEU 13 11.663 -2.709 -3.399 86 HD12 LEU 13 HD12 LEU 13 10.760 -1.420 -2.604 87 HD13 LEU 13 HD13 LEU 13 12.219 -1.040 -3.518 88 HD21 LEU 13 HD21 LEU 13 12.334 -1.738 -5.821 89 HD22 LEU 13 HD22 LEU 13 11.610 -0.137 -5.971 90 HD23 LEU 13 HD23 LEU 13 10.906 -1.508 -6.830 91 HA PRO 14 HA PRO 14 8.088 0.808 -2.517 92 HB2 PRO 14 HB2 PRO 14 5.949 1.813 -3.853 93 HB3 PRO 14 HB3 PRO 14 7.591 1.843 -4.507 94 HG2 PRO 14 HG2 PRO 14 5.355 -0.060 -5.089 95 HG3 PRO 14 HG3 PRO 14 6.496 0.702 -6.212 96 HD2 PRO 14 HD2 PRO 14 6.783 -1.849 -5.351 97 HD3 PRO 14 HD3 PRO 14 8.170 -0.809 -5.734 98 H LEU 15 H LEU 15 7.443 -0.333 -0.579 99 HA LEU 15 HA LEU 15 4.524 -0.360 -0.176 100 HB2 LEU 15 HB2 LEU 15 6.674 -2.203 0.713 101 HB3 LEU 15 HB3 LEU 15 5.330 -1.920 1.818 102 HG LEU 15 HG LEU 15 5.270 -3.948 0.196 103 HD11 LEU 15 HD11 LEU 15 3.189 -4.045 0.948 104 HD12 LEU 15 HD12 LEU 15 2.694 -2.763 -0.157 105 HD13 LEU 15 HD13 LEU 15 3.313 -2.356 1.443 106 HD21 LEU 15 HD21 LEU 15 5.787 -2.534 -1.801 107 HD22 LEU 15 HD22 LEU 15 4.188 -1.810 -1.630 108 HD23 LEU 15 HD23 LEU 15 4.344 -3.535 -1.963 109 H CYS 16 H CYS 16 4.126 -0.318 2.375 110 HA CYS 16 HA CYS 16 5.433 2.141 3.295 111 HB2 CYS 16 HB2 CYS 16 2.794 1.585 3.121 112 HB3 CYS 16 HB3 CYS 16 3.104 1.065 4.774 113 H PHE 17 H PHE 17 5.430 2.256 5.831 114 HA PHE 17 HA PHE 17 7.324 0.359 6.726 115 HB2 PHE 17 HB2 PHE 17 5.719 2.432 8.230 116 HB3 PHE 17 HB3 PHE 17 7.008 1.477 8.954 117 HD1 PHE 17 HD1 PHE 17 9.309 1.580 7.725 118 HD2 PHE 17 HD2 PHE 17 6.219 4.476 7.299 119 HE1 PHE 17 HE1 PHE 17 10.965 3.229 6.955 120 HE2 PHE 17 HE2 PHE 17 7.869 6.129 6.526 121 HZ PHE 17 HZ PHE 17 10.246 5.506 6.353 122 H LYS 18 H LYS 18 7.015 -0.780 8.908 123 HA LYS 18 HA LYS 18 5.032 -2.760 8.602 124 HB2 LYS 18 HB2 LYS 18 6.786 -3.611 9.788 125 HB3 LYS 18 HB3 LYS 18 7.099 -2.093 10.620 126 HG2 LYS 18 HG2 LYS 18 5.399 -2.493 12.202 127 HG3 LYS 18 HG3 LYS 18 4.723 -3.818 11.251 128 HD2 LYS 18 HD2 LYS 18 5.891 -4.953 12.890 129 HD3 LYS 18 HD3 LYS 18 7.073 -4.891 11.580 130 HE2 LYS 18 HE2 LYS 18 8.343 -4.232 13.387 131 HE3 LYS 18 HE3 LYS 18 7.824 -2.680 12.732 132 HZ1 LYS 18 HZ1 LYS 18 7.601 -3.219 15.268 133 HZ2 LYS 18 HZ2 LYS 18 6.158 -3.953 14.779 134 HZ3 LYS 18 HZ3 LYS 18 6.418 -2.310 14.469 135 HA PRO 19 HA PRO 19 2.799 -0.677 12.346 136 HB2 PRO 19 HB2 PRO 19 3.668 1.780 13.105 137 HB3 PRO 19 HB3 PRO 19 4.323 0.280 13.774 138 HG2 PRO 19 HG2 PRO 19 5.434 2.037 11.620 139 HG3 PRO 19 HG3 PRO 19 6.276 1.251 12.968 140 HD2 PRO 19 HD2 PRO 19 6.311 0.255 10.450 141 HD3 PRO 19 HD3 PRO 19 6.369 -0.784 11.889 142 H ILE 20 H ILE 20 4.099 1.754 10.091 143 HA ILE 20 HA ILE 20 1.668 3.234 9.943 144 HB ILE 20 HB ILE 20 3.876 3.260 7.893 145 HG12 ILE 20 HG12 ILE 20 4.898 3.536 10.085 146 HG13 ILE 20 HG13 ILE 20 4.891 5.078 9.236 147 HG21 ILE 20 HG21 ILE 20 2.480 4.724 6.950 148 HG22 ILE 20 HG22 ILE 20 1.480 4.830 8.398 149 HG23 ILE 20 HG23 ILE 20 2.934 5.818 8.256 150 HD11 ILE 20 HD11 ILE 20 4.173 5.793 11.252 151 HD12 ILE 20 HD12 ILE 20 2.609 5.340 10.575 152 HD13 ILE 20 HD13 ILE 20 3.447 4.241 11.671 153 H CYS 21 H CYS 21 0.200 3.380 8.212 154 HA CYS 21 HA CYS 21 -1.184 2.567 6.601 155 HB2 CYS 21 HB2 CYS 21 1.288 1.131 5.611 156 HB3 CYS 21 HB3 CYS 21 -0.181 1.431 4.688 157 H ILE 22 H ILE 22 -1.557 1.307 8.892 158 HA ILE 22 HA ILE 22 -1.146 -1.471 8.946 159 HB ILE 22 HB ILE 22 -3.386 0.087 10.242 160 HG12 ILE 22 HG12 ILE 22 -0.655 -0.676 11.301 161 HG13 ILE 22 HG13 ILE 22 -1.164 0.948 10.850 162 HG21 ILE 22 HG21 ILE 22 -3.759 -2.348 10.136 163 HG22 ILE 22 HG22 ILE 22 -2.226 -2.598 10.969 164 HG23 ILE 22 HG23 ILE 22 -3.548 -1.766 11.787 165 HD11 ILE 22 HD11 ILE 22 -1.484 1.071 13.087 166 HD12 ILE 22 HD12 ILE 22 -3.061 0.429 12.624 167 HD13 ILE 22 HD13 ILE 22 -1.817 -0.654 13.248 168 HA PRO 23 HA PRO 23 -4.013 -2.837 5.867 169 HB2 PRO 23 HB2 PRO 23 -4.009 -5.469 6.534 170 HB3 PRO 23 HB3 PRO 23 -2.672 -4.693 5.676 171 HG2 PRO 23 HG2 PRO 23 -2.932 -5.343 8.587 172 HG3 PRO 23 HG3 PRO 23 -1.533 -5.544 7.516 173 HD2 PRO 23 HD2 PRO 23 -1.764 -3.465 9.235 174 HD3 PRO 23 HD3 PRO 23 -0.935 -3.324 7.672 175 H THR 24 H THR 24 -4.402 -4.193 9.145 176 HA THR 24 HA THR 24 -7.291 -4.336 8.748 177 HB THR 24 HB THR 24 -5.960 -5.125 11.311 178 HG1 THR 24 HG1 THR 24 -6.118 -6.917 9.124 179 HG21 THR 24 HG21 THR 24 -7.712 -6.811 11.337 180 HG22 THR 24 HG22 THR 24 -8.235 -6.324 9.725 181 HG23 THR 24 HG23 THR 24 -8.414 -5.214 11.084 182 H LEU 25 H LEU 25 -5.636 -1.810 9.196 183 HA LEU 25 HA LEU 25 -5.927 0.206 10.207 184 HB2 LEU 25 HB2 LEU 25 -8.514 -1.115 10.388 185 HB3 LEU 25 HB3 LEU 25 -8.255 0.057 11.678 186 HG LEU 25 HG LEU 25 -7.514 1.510 9.512 187 HD11 LEU 25 HD11 LEU 25 -9.607 1.022 7.983 188 HD12 LEU 25 HD12 LEU 25 -9.380 -0.614 8.599 189 HD13 LEU 25 HD13 LEU 25 -8.071 0.192 7.735 190 HD21 LEU 25 HD21 LEU 25 -9.704 2.579 9.700 191 HD22 LEU 25 HD22 LEU 25 -9.027 2.215 11.288 192 HD23 LEU 25 HD23 LEU 25 -10.303 1.197 10.618 193 HA PRO 26 HA PRO 26 -4.420 -0.071 14.318 194 HB2 PRO 26 HB2 PRO 26 -5.260 2.267 15.412 195 HB3 PRO 26 HB3 PRO 26 -3.970 2.180 14.207 196 HG2 PRO 26 HG2 PRO 26 -6.860 2.872 13.842 197 HG3 PRO 26 HG3 PRO 26 -5.427 3.642 13.136 198 HD2 PRO 26 HD2 PRO 26 -6.960 1.882 11.763 199 HD3 PRO 26 HD3 PRO 26 -5.211 2.031 11.502 200 HA PRO 27 HA PRO 27 -7.410 -1.544 17.185 201 HB2 PRO 27 HB2 PRO 27 -6.399 -0.742 19.574 202 HB3 PRO 27 HB3 PRO 27 -5.676 -2.035 18.610 203 HG2 PRO 27 HG2 PRO 27 -4.870 0.839 18.831 204 HG3 PRO 27 HG3 PRO 27 -3.849 -0.611 18.812 205 HD2 PRO 27 HD2 PRO 27 -4.205 0.949 16.627 206 HD3 PRO 27 HD3 PRO 27 -3.949 -0.805 16.518 207 H LEU 28 H LEU 28 -8.573 -0.752 19.354 208 HA LEU 28 HA LEU 28 -10.226 0.568 20.191 209 HB2 LEU 28 HB2 LEU 28 -8.007 1.973 20.415 210 HB3 LEU 28 HB3 LEU 28 -8.812 3.009 19.238 211 HG LEU 28 HG LEU 28 -10.304 2.259 21.702 212 HD11 LEU 28 HD11 LEU 28 -8.387 4.560 21.746 213 HD12 LEU 28 HD12 LEU 28 -7.900 2.956 22.292 214 HD13 LEU 28 HD13 LEU 28 -9.234 3.789 23.087 215 HD21 LEU 28 HD21 LEU 28 -10.868 4.781 21.363 216 HD22 LEU 28 HD22 LEU 28 -11.590 3.567 20.307 217 HD23 LEU 28 HD23 LEU 28 -10.212 4.516 19.748 218 H THR 29 H THR 29 -11.084 -0.401 17.937 219 HA THR 29 HA THR 29 -12.155 1.874 16.398 220 HB THR 29 HB THR 29 -12.237 -0.895 15.288 221 HG1 THR 29 HG1 THR 29 -9.925 0.736 15.518 222 HG21 THR 29 HG21 THR 29 -12.744 0.176 13.391 223 HG22 THR 29 HG22 THR 29 -11.389 1.291 13.573 224 HG23 THR 29 HG23 THR 29 -12.924 1.629 14.373 225 H GLY 30 H GLY 30 -13.164 0.576 18.913 226 HA2 GLY 30 HA2 GLY 30 -15.851 -0.096 17.886 227 HA3 GLY 30 HA3 GLY 30 -15.125 -0.984 19.218 228 H GLY 31 H GLY 31 -14.466 2.381 19.105 229 HA2 GLY 31 HA2 GLY 31 -16.435 2.802 21.269 230 HA3 GLY 31 HA3 GLY 31 -14.850 3.561 21.231 231 H HIS 32 H HIS 32 -14.465 4.892 19.159 232 HA HIS 32 HA HIS 32 -16.168 7.065 19.138 233 HB2 HIS 32 HB2 HIS 32 -13.770 6.703 18.115 234 HB3 HIS 32 HB3 HIS 32 -14.673 6.365 16.641 235 HD1 HIS 32 HD1 HIS 32 -14.220 9.135 19.187 236 HD2 HIS 32 HD2 HIS 32 -15.485 8.578 15.269 237 HE1 HIS 32 HE1 HIS 32 -14.563 11.446 18.257 238 H ALA 33 H ALA 33 -16.367 4.093 17.326 239 HA ALA 33 HA ALA 33 -18.615 5.132 15.756 240 HB1 ALA 33 HB1 ALA 33 -18.264 3.430 14.229 241 HB2 ALA 33 HB2 ALA 33 -16.625 3.799 14.767 242 HB3 ALA 33 HB3 ALA 33 -17.468 2.392 15.412 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 0.909 -0.173 3.760 2 HA2 GLY 1 HA2 GLY 1 0.865 -0.452 1.444 3 HA3 GLY 1 HA3 GLY 1 -0.820 -0.937 1.559 4 H VAL 2 H VAL 2 1.030 2.001 2.383 5 HA VAL 2 HA VAL 2 -0.483 3.545 0.459 6 HB VAL 2 HB VAL 2 -1.106 5.247 2.256 7 HG11 VAL 2 HG11 VAL 2 -2.692 2.778 2.708 8 HG12 VAL 2 HG12 VAL 2 -3.227 4.414 2.318 9 HG13 VAL 2 HG13 VAL 2 -2.555 3.380 1.056 10 HG21 VAL 2 HG21 VAL 2 0.172 4.447 4.104 11 HG22 VAL 2 HG22 VAL 2 -1.531 4.222 4.504 12 HG23 VAL 2 HG23 VAL 2 -0.556 2.845 3.990 13 H LEU 3 H LEU 3 1.734 3.682 3.232 14 HA LEU 3 HA LEU 3 3.873 4.775 1.834 15 HB2 LEU 3 HB2 LEU 3 2.875 6.810 1.465 16 HB3 LEU 3 HB3 LEU 3 1.957 6.751 2.969 17 HG LEU 3 HG LEU 3 4.034 7.249 4.214 18 HD11 LEU 3 HD11 LEU 3 5.265 6.562 1.787 19 HD12 LEU 3 HD12 LEU 3 6.035 7.117 3.272 20 HD13 LEU 3 HD13 LEU 3 5.572 8.281 2.031 21 HD21 LEU 3 HD21 LEU 3 2.388 8.966 2.933 22 HD22 LEU 3 HD22 LEU 3 3.944 9.440 2.251 23 HD23 LEU 3 HD23 LEU 3 3.702 9.465 3.999 24 H GLY 4 H GLY 4 5.665 4.544 3.041 25 HA2 GLY 4 HA2 GLY 4 5.941 5.122 5.756 26 HA3 GLY 4 HA3 GLY 4 5.503 3.424 5.631 27 H ASN 5 H ASN 5 7.177 2.096 5.654 28 HA ASN 5 HA ASN 5 9.534 2.677 4.070 29 HB2 ASN 5 HB2 ASN 5 10.099 3.774 6.168 30 HB3 ASN 5 HB3 ASN 5 9.693 2.317 7.070 31 HD21 ASN 5 HD21 ASN 5 11.635 1.867 7.938 32 HD22 ASN 5 HD22 ASN 5 13.050 1.492 7.021 33 H ASP 6 H ASP 6 8.985 0.513 6.834 34 HA ASP 6 HA ASP 6 10.086 -1.745 5.603 35 HB2 ASP 6 HB2 ASP 6 9.898 -1.699 7.988 36 HB3 ASP 6 HB3 ASP 6 8.152 -1.479 7.906 37 H ALA 7 H ALA 7 6.748 -1.945 6.677 38 HA ALA 7 HA ALA 7 5.450 -2.038 4.217 39 HB1 ALA 7 HB1 ALA 7 6.321 -3.917 3.349 40 HB2 ALA 7 HB2 ALA 7 6.890 -4.500 4.914 41 HB3 ALA 7 HB3 ALA 7 5.205 -4.728 4.448 42 H GLU 8 H GLU 8 3.285 -3.134 4.363 43 HA GLU 8 HA GLU 8 2.346 -3.162 7.157 44 HB2 GLU 8 HB2 GLU 8 0.438 -1.978 6.594 45 HB3 GLU 8 HB3 GLU 8 1.645 -1.224 5.562 46 HG2 GLU 8 HG2 GLU 8 0.903 -2.554 3.676 47 HG3 GLU 8 HG3 GLU 8 -0.271 -3.379 4.701 48 H GLY 9 H GLY 9 2.720 -4.939 4.333 49 HA2 GLY 9 HA2 GLY 9 2.024 -7.373 5.062 50 HA3 GLY 9 HA3 GLY 9 0.424 -6.680 4.843 51 H ILE 10 H ILE 10 1.557 -4.973 2.614 52 HA ILE 10 HA ILE 10 1.148 -6.956 0.523 53 HB ILE 10 HB ILE 10 1.638 -4.087 -0.112 54 HG12 ILE 10 HG12 ILE 10 0.180 -3.923 1.824 55 HG13 ILE 10 HG13 ILE 10 -0.743 -3.568 0.368 56 HG21 ILE 10 HG21 ILE 10 -0.637 -5.078 -1.394 57 HG22 ILE 10 HG22 ILE 10 0.973 -4.870 -2.081 58 HG23 ILE 10 HG23 ILE 10 0.511 -6.417 -1.371 59 HD11 ILE 10 HD11 ILE 10 -0.966 -6.339 0.845 60 HD12 ILE 10 HD12 ILE 10 -1.250 -5.508 2.375 61 HD13 ILE 10 HD13 ILE 10 -2.216 -5.100 0.957 62 H THR 11 H THR 11 2.498 -6.726 -1.495 63 HA THR 11 HA THR 11 5.325 -6.609 -0.715 64 HB THR 11 HB THR 11 4.137 -7.841 -3.207 65 HG1 THR 11 HG1 THR 11 5.026 -9.158 -0.842 66 HG21 THR 11 HG21 THR 11 6.469 -9.119 -2.790 67 HG22 THR 11 HG22 THR 11 6.872 -7.535 -2.127 68 HG23 THR 11 HG23 THR 11 6.321 -7.679 -3.796 69 H LEU 12 H LEU 12 2.971 -4.927 -2.496 70 HA LEU 12 HA LEU 12 4.321 -3.860 -4.646 71 HB2 LEU 12 HB2 LEU 12 2.416 -2.405 -2.819 72 HB3 LEU 12 HB3 LEU 12 2.838 -1.931 -4.463 73 HG LEU 12 HG LEU 12 1.609 -4.610 -3.998 74 HD11 LEU 12 HD11 LEU 12 -0.544 -3.829 -3.795 75 HD12 LEU 12 HD12 LEU 12 -0.144 -2.236 -4.437 76 HD13 LEU 12 HD13 LEU 12 0.338 -2.673 -2.798 77 HD21 LEU 12 HD21 LEU 12 2.267 -4.275 -6.214 78 HD22 LEU 12 HD22 LEU 12 1.731 -2.594 -6.217 79 HD23 LEU 12 HD23 LEU 12 0.544 -3.899 -6.217 80 H LEU 13 H LEU 13 5.069 -1.521 -4.833 81 HA LEU 13 HA LEU 13 7.328 -1.167 -3.140 82 HB2 LEU 13 HB2 LEU 13 7.800 -0.339 -5.196 83 HB3 LEU 13 HB3 LEU 13 6.147 0.205 -5.475 84 HG LEU 13 HG LEU 13 6.553 2.168 -4.076 85 HD11 LEU 13 HD11 LEU 13 8.113 1.601 -2.478 86 HD12 LEU 13 HD12 LEU 13 9.074 2.579 -3.586 87 HD13 LEU 13 HD13 LEU 13 9.182 0.820 -3.643 88 HD21 LEU 13 HD21 LEU 13 7.207 1.932 -6.599 89 HD22 LEU 13 HD22 LEU 13 8.850 2.102 -5.978 90 HD23 LEU 13 HD23 LEU 13 7.661 3.373 -5.688 91 HA PRO 14 HA PRO 14 4.949 2.705 -1.504 92 HB2 PRO 14 HB2 PRO 14 2.338 2.954 -2.205 93 HB3 PRO 14 HB3 PRO 14 3.659 3.630 -3.165 94 HG2 PRO 14 HG2 PRO 14 2.128 1.089 -3.572 95 HG3 PRO 14 HG3 PRO 14 2.632 2.296 -4.770 96 HD2 PRO 14 HD2 PRO 14 3.967 -0.030 -4.394 97 HD3 PRO 14 HD3 PRO 14 4.781 1.470 -4.883 98 H LEU 15 H LEU 15 5.224 1.267 0.321 99 HA LEU 15 HA LEU 15 2.680 0.148 1.300 100 HB2 LEU 15 HB2 LEU 15 5.472 -0.849 1.427 101 HB3 LEU 15 HB3 LEU 15 4.432 -1.154 2.817 102 HG LEU 15 HG LEU 15 4.654 -2.940 0.942 103 HD11 LEU 15 HD11 LEU 15 1.833 -2.772 1.317 104 HD12 LEU 15 HD12 LEU 15 2.642 -2.255 2.796 105 HD13 LEU 15 HD13 LEU 15 2.997 -3.838 2.104 106 HD21 LEU 15 HD21 LEU 15 3.126 -2.734 -0.881 107 HD22 LEU 15 HD22 LEU 15 4.149 -1.297 -0.872 108 HD23 LEU 15 HD23 LEU 15 2.498 -1.209 -0.256 109 H CYS 16 H CYS 16 2.922 -0.144 3.849 110 HA CYS 16 HA CYS 16 3.532 2.541 4.862 111 HB2 CYS 16 HB2 CYS 16 1.249 1.127 5.120 112 HB3 CYS 16 HB3 CYS 16 2.089 0.598 6.574 113 H PHE 17 H PHE 17 4.109 2.469 7.322 114 HA PHE 17 HA PHE 17 6.663 1.294 7.535 115 HB2 PHE 17 HB2 PHE 17 4.868 2.508 9.643 116 HB3 PHE 17 HB3 PHE 17 6.544 2.045 9.921 117 HD1 PHE 17 HD1 PHE 17 8.303 3.113 8.350 118 HD2 PHE 17 HD2 PHE 17 4.372 4.642 8.918 119 HE1 PHE 17 HE1 PHE 17 9.047 5.315 7.543 120 HE2 PHE 17 HE2 PHE 17 5.109 6.846 8.111 121 HZ PHE 17 HZ PHE 17 7.449 7.185 7.422 122 H LYS 18 H LYS 18 7.283 -0.073 9.494 123 HA LYS 18 HA LYS 18 6.010 -2.585 9.277 124 HB2 LYS 18 HB2 LYS 18 8.191 -2.887 9.875 125 HB3 LYS 18 HB3 LYS 18 8.231 -1.438 10.870 126 HG2 LYS 18 HG2 LYS 18 7.227 -2.540 12.695 127 HG3 LYS 18 HG3 LYS 18 6.763 -3.923 11.701 128 HD2 LYS 18 HD2 LYS 18 9.372 -4.066 11.307 129 HD3 LYS 18 HD3 LYS 18 9.416 -3.201 12.845 130 HE2 LYS 18 HE2 LYS 18 9.547 -5.576 13.252 131 HE3 LYS 18 HE3 LYS 18 8.002 -4.963 13.839 132 HZ1 LYS 18 HZ1 LYS 18 8.004 -5.929 11.105 133 HZ2 LYS 18 HZ2 LYS 18 6.862 -6.152 12.333 134 HZ3 LYS 18 HZ3 LYS 18 8.253 -7.114 12.286 135 HA PRO 19 HA PRO 19 4.331 -1.752 13.730 136 HB2 PRO 19 HB2 PRO 19 4.571 0.773 14.699 137 HB3 PRO 19 HB3 PRO 19 5.810 -0.466 14.931 138 HG2 PRO 19 HG2 PRO 19 5.706 1.757 12.929 139 HG3 PRO 19 HG3 PRO 19 7.078 1.186 13.896 140 HD2 PRO 19 HD2 PRO 19 6.742 0.501 11.298 141 HD3 PRO 19 HD3 PRO 19 7.501 -0.584 12.481 142 H ILE 20 H ILE 20 4.159 1.104 11.621 143 HA ILE 20 HA ILE 20 1.442 1.693 12.307 144 HB ILE 20 HB ILE 20 2.886 2.662 9.847 145 HG12 ILE 20 HG12 ILE 20 4.355 3.054 11.748 146 HG13 ILE 20 HG13 ILE 20 3.645 4.578 11.223 147 HG21 ILE 20 HG21 ILE 20 0.573 3.216 9.829 148 HG22 ILE 20 HG22 ILE 20 0.621 3.738 11.512 149 HG23 ILE 20 HG23 ILE 20 1.454 4.678 10.274 150 HD11 ILE 20 HD11 ILE 20 2.004 4.402 13.050 151 HD12 ILE 20 HD12 ILE 20 2.811 2.932 13.598 152 HD13 ILE 20 HD13 ILE 20 3.671 4.471 13.621 153 H CYS 21 H CYS 21 -0.382 1.567 10.903 154 HA CYS 21 HA CYS 21 -1.820 0.475 9.519 155 HB2 CYS 21 HB2 CYS 21 0.677 0.040 7.866 156 HB3 CYS 21 HB3 CYS 21 -0.974 -0.196 7.300 157 H ILE 22 H ILE 22 -1.508 -1.037 11.546 158 HA ILE 22 HA ILE 22 -0.280 -3.578 11.016 159 HB ILE 22 HB ILE 22 -2.279 -2.984 13.191 160 HG12 ILE 22 HG12 ILE 22 0.715 -2.548 13.227 161 HG13 ILE 22 HG13 ILE 22 -0.507 -1.281 13.235 162 HG21 ILE 22 HG21 ILE 22 -1.240 -4.792 14.360 163 HG22 ILE 22 HG22 ILE 22 -1.633 -5.351 12.735 164 HG23 ILE 22 HG23 ILE 22 0.028 -4.920 13.141 165 HD11 ILE 22 HD11 ILE 22 0.271 -3.172 15.404 166 HD12 ILE 22 HD12 ILE 22 0.088 -1.418 15.452 167 HD13 ILE 22 HD13 ILE 22 -1.339 -2.453 15.388 168 HA PRO 23 HA PRO 23 -3.666 -5.350 8.784 169 HB2 PRO 23 HB2 PRO 23 -2.825 -7.929 8.883 170 HB3 PRO 23 HB3 PRO 23 -2.097 -6.722 7.817 171 HG2 PRO 23 HG2 PRO 23 -1.146 -7.723 10.473 172 HG3 PRO 23 HG3 PRO 23 -0.215 -7.409 8.997 173 HD2 PRO 23 HD2 PRO 23 -0.283 -5.673 11.074 174 HD3 PRO 23 HD3 PRO 23 -0.122 -5.139 9.389 175 H THR 24 H THR 24 -2.548 -6.971 11.752 176 HA THR 24 HA THR 24 -4.800 -8.503 12.275 177 HB THR 24 HB THR 24 -3.385 -7.214 14.569 178 HG1 THR 24 HG1 THR 24 -2.199 -9.285 13.022 179 HG21 THR 24 HG21 THR 24 -3.339 -9.875 14.998 180 HG22 THR 24 HG22 THR 24 -4.755 -9.757 13.954 181 HG23 THR 24 HG23 THR 24 -4.690 -8.839 15.458 182 H LEU 25 H LEU 25 -4.327 -5.090 12.600 183 HA LEU 25 HA LEU 25 -6.529 -4.649 14.389 184 HB2 LEU 25 HB2 LEU 25 -4.706 -2.913 12.784 185 HB3 LEU 25 HB3 LEU 25 -6.182 -2.228 13.461 186 HG LEU 25 HG LEU 25 -4.121 -1.853 14.824 187 HD11 LEU 25 HD11 LEU 25 -6.293 -3.466 16.154 188 HD12 LEU 25 HD12 LEU 25 -6.372 -1.742 15.789 189 HD13 LEU 25 HD13 LEU 25 -5.186 -2.345 16.947 190 HD21 LEU 25 HD21 LEU 25 -4.306 -4.677 15.751 191 HD22 LEU 25 HD22 LEU 25 -2.951 -3.551 15.825 192 HD23 LEU 25 HD23 LEU 25 -3.380 -4.316 14.295 193 HA PRO 26 HA PRO 26 -9.901 -4.432 11.590 194 HB2 PRO 26 HB2 PRO 26 -11.334 -2.349 12.579 195 HB3 PRO 26 HB3 PRO 26 -11.232 -3.916 13.390 196 HG2 PRO 26 HG2 PRO 26 -9.723 -1.392 13.950 197 HG3 PRO 26 HG3 PRO 26 -10.465 -2.529 15.091 198 HD2 PRO 26 HD2 PRO 26 -7.811 -2.526 14.556 199 HD3 PRO 26 HD3 PRO 26 -8.702 -4.008 14.960 200 HA PRO 27 HA PRO 27 -9.326 -1.463 8.398 201 HB2 PRO 27 HB2 PRO 27 -11.856 -1.034 7.513 202 HB3 PRO 27 HB3 PRO 27 -10.977 -2.539 7.217 203 HG2 PRO 27 HG2 PRO 27 -13.043 -1.929 9.296 204 HG3 PRO 27 HG3 PRO 27 -12.865 -3.376 8.286 205 HD2 PRO 27 HD2 PRO 27 -12.043 -3.289 10.864 206 HD3 PRO 27 HD3 PRO 27 -11.220 -4.267 9.632 207 H LEU 28 H LEU 28 -10.247 0.698 7.531 208 HA LEU 28 HA LEU 28 -10.612 2.919 7.853 209 HB2 LEU 28 HB2 LEU 28 -12.689 1.691 9.063 210 HB3 LEU 28 HB3 LEU 28 -12.004 2.570 10.428 211 HG LEU 28 HG LEU 28 -13.048 3.740 7.852 212 HD11 LEU 28 HD11 LEU 28 -14.152 4.804 10.270 213 HD12 LEU 28 HD12 LEU 28 -14.318 3.049 10.257 214 HD13 LEU 28 HD13 LEU 28 -14.968 4.005 8.926 215 HD21 LEU 28 HD21 LEU 28 -11.759 5.126 10.202 216 HD22 LEU 28 HD22 LEU 28 -12.520 5.919 8.822 217 HD23 LEU 28 HD23 LEU 28 -11.062 4.953 8.591 218 H THR 29 H THR 29 -8.203 1.888 8.781 219 HA THR 29 HA THR 29 -7.490 2.502 11.397 220 HB THR 29 HB THR 29 -6.015 1.271 9.861 221 HG1 THR 29 HG1 THR 29 -5.272 2.747 11.726 222 HG21 THR 29 HG21 THR 29 -4.961 3.741 8.629 223 HG22 THR 29 HG22 THR 29 -6.528 3.188 8.037 224 HG23 THR 29 HG23 THR 29 -5.128 2.119 7.956 225 H GLY 30 H GLY 30 -7.906 4.590 8.619 226 HA2 GLY 30 HA2 GLY 30 -6.542 6.862 9.515 227 HA3 GLY 30 HA3 GLY 30 -7.911 6.875 8.415 228 H GLY 31 H GLY 31 -9.467 5.462 10.660 229 HA2 GLY 31 HA2 GLY 31 -10.894 7.640 11.596 230 HA3 GLY 31 HA3 GLY 31 -10.858 6.069 12.383 231 H HIS 32 H HIS 32 -9.348 5.692 14.062 232 HA HIS 32 HA HIS 32 -8.557 8.156 15.430 233 HB2 HIS 32 HB2 HIS 32 -9.953 6.215 16.483 234 HB3 HIS 32 HB3 HIS 32 -8.389 5.425 16.660 235 HD1 HIS 32 HD1 HIS 32 -6.684 7.835 17.518 236 HD2 HIS 32 HD2 HIS 32 -10.452 6.982 19.046 237 HE1 HIS 32 HE1 HIS 32 -6.771 8.965 19.763 238 H ALA 33 H ALA 33 -6.530 8.820 15.261 239 HA ALA 33 HA ALA 33 -4.464 7.208 14.152 240 HB1 ALA 33 HB1 ALA 33 -4.728 9.752 14.032 241 HB2 ALA 33 HB2 ALA 33 -3.991 9.772 15.635 242 HB3 ALA 33 HB3 ALA 33 -3.104 9.104 14.264 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 2.058 -0.875 0.704 2 HA2 GLY 1 HA2 GLY 1 3.402 -1.060 -1.183 3 HA3 GLY 1 HA3 GLY 1 1.990 -1.557 -2.104 4 H VAL 2 H VAL 2 3.578 1.261 -0.664 5 HA VAL 2 HA VAL 2 2.891 2.835 -2.997 6 HB VAL 2 HB VAL 2 2.031 4.722 -1.511 7 HG11 VAL 2 HG11 VAL 2 0.722 3.023 -3.024 8 HG12 VAL 2 HG12 VAL 2 0.094 2.458 -1.475 9 HG13 VAL 2 HG13 VAL 2 -0.141 4.136 -1.964 10 HG21 VAL 2 HG21 VAL 2 1.761 2.404 0.392 11 HG22 VAL 2 HG22 VAL 2 2.626 3.919 0.652 12 HG23 VAL 2 HG23 VAL 2 0.865 3.913 0.559 13 H LEU 3 H LEU 3 4.246 2.905 0.288 14 HA LEU 3 HA LEU 3 6.818 3.628 -0.483 15 HB2 LEU 3 HB2 LEU 3 6.120 5.729 -1.214 16 HB3 LEU 3 HB3 LEU 3 4.983 5.917 0.119 17 HG LEU 3 HG LEU 3 6.834 6.285 1.663 18 HD11 LEU 3 HD11 LEU 3 8.984 6.745 -0.111 19 HD12 LEU 3 HD12 LEU 3 8.364 5.127 -0.439 20 HD13 LEU 3 HD13 LEU 3 8.873 5.562 1.193 21 HD21 LEU 3 HD21 LEU 3 5.871 8.043 -0.181 22 HD22 LEU 3 HD22 LEU 3 7.610 8.165 -0.445 23 HD23 LEU 3 HD23 LEU 3 6.938 8.466 1.158 24 H GLY 4 H GLY 4 8.208 3.476 1.220 25 HA2 GLY 4 HA2 GLY 4 8.148 4.148 3.773 26 HA3 GLY 4 HA3 GLY 4 6.998 2.820 3.798 27 H ASN 5 H ASN 5 7.989 1.173 4.773 28 HA ASN 5 HA ASN 5 10.546 0.269 3.655 29 HB2 ASN 5 HB2 ASN 5 11.004 1.498 5.759 30 HB3 ASN 5 HB3 ASN 5 9.935 0.392 6.616 31 HD21 ASN 5 HD21 ASN 5 11.251 -0.725 7.890 32 HD22 ASN 5 HD22 ASN 5 12.641 -1.607 7.365 33 H ASP 6 H ASP 6 8.129 -0.673 6.107 34 HA ASP 6 HA ASP 6 8.441 -3.426 5.849 35 HB2 ASP 6 HB2 ASP 6 7.024 -1.920 7.519 36 HB3 ASP 6 HB3 ASP 6 5.720 -2.342 6.411 37 H ALA 7 H ALA 7 6.346 -4.789 5.175 38 HA ALA 7 HA ALA 7 5.778 -4.047 2.379 39 HB1 ALA 7 HB1 ALA 7 6.360 -6.091 1.715 40 HB2 ALA 7 HB2 ALA 7 7.050 -6.314 3.322 41 HB3 ALA 7 HB3 ALA 7 5.407 -6.858 2.986 42 H GLU 8 H GLU 8 3.722 -3.695 1.862 43 HA GLU 8 HA GLU 8 1.650 -4.147 3.824 44 HB2 GLU 8 HB2 GLU 8 0.336 -2.701 2.589 45 HB3 GLU 8 HB3 GLU 8 1.949 -2.119 2.203 46 HG2 GLU 8 HG2 GLU 8 1.910 -3.351 0.107 47 HG3 GLU 8 HG3 GLU 8 0.308 -3.976 0.495 48 H GLY 9 H GLY 9 3.076 -6.125 1.675 49 HA2 GLY 9 HA2 GLY 9 1.952 -8.386 1.694 50 HA3 GLY 9 HA3 GLY 9 0.565 -7.538 1.026 51 H ILE 10 H ILE 10 3.671 -6.487 -0.000 52 HA ILE 10 HA ILE 10 3.441 -8.066 -2.472 53 HB ILE 10 HB ILE 10 4.243 -5.162 -2.461 54 HG12 ILE 10 HG12 ILE 10 1.613 -5.988 -3.566 55 HG13 ILE 10 HG13 ILE 10 1.746 -5.911 -1.812 56 HG21 ILE 10 HG21 ILE 10 3.206 -5.939 -4.934 57 HG22 ILE 10 HG22 ILE 10 4.896 -5.646 -4.528 58 HG23 ILE 10 HG23 ILE 10 4.233 -7.276 -4.414 59 HD11 ILE 10 HD11 ILE 10 2.866 -3.569 -3.091 60 HD12 ILE 10 HD12 ILE 10 1.171 -3.821 -3.511 61 HD13 ILE 10 HD13 ILE 10 1.651 -3.697 -1.819 62 H THR 11 H THR 11 5.392 -8.477 -3.570 63 HA THR 11 HA THR 11 7.677 -8.693 -1.847 64 HB THR 11 HB THR 11 7.508 -9.308 -4.802 65 HG1 THR 11 HG1 THR 11 7.324 -11.245 -2.761 66 HG21 THR 11 HG21 THR 11 9.704 -9.664 -4.565 67 HG22 THR 11 HG22 THR 11 9.271 -11.056 -3.572 68 HG23 THR 11 HG23 THR 11 9.615 -9.503 -2.811 69 H LEU 12 H LEU 12 6.575 -6.442 -4.206 70 HA LEU 12 HA LEU 12 8.833 -5.356 -5.289 71 HB2 LEU 12 HB2 LEU 12 6.399 -3.936 -4.229 72 HB3 LEU 12 HB3 LEU 12 7.631 -3.163 -5.223 73 HG LEU 12 HG LEU 12 6.024 -5.538 -6.145 74 HD11 LEU 12 HD11 LEU 12 5.494 -2.646 -6.793 75 HD12 LEU 12 HD12 LEU 12 4.592 -3.563 -5.587 76 HD13 LEU 12 HD13 LEU 12 4.550 -4.054 -7.280 77 HD21 LEU 12 HD21 LEU 12 8.057 -5.254 -7.373 78 HD22 LEU 12 HD22 LEU 12 7.774 -3.521 -7.543 79 HD23 LEU 12 HD23 LEU 12 6.728 -4.672 -8.375 80 H LEU 13 H LEU 13 10.037 -3.385 -4.723 81 HA LEU 13 HA LEU 13 11.096 -3.584 -2.070 82 HB2 LEU 13 HB2 LEU 13 12.779 -3.026 -3.482 83 HB3 LEU 13 HB3 LEU 13 11.726 -2.088 -4.539 84 HG LEU 13 HG LEU 13 11.798 -0.221 -2.963 85 HD11 LEU 13 HD11 LEU 13 13.672 -0.446 -1.178 86 HD12 LEU 13 HD12 LEU 13 13.365 -2.175 -1.335 87 HD13 LEU 13 HD13 LEU 13 12.064 -1.090 -0.843 88 HD21 LEU 13 HD21 LEU 13 14.526 -1.269 -3.715 89 HD22 LEU 13 HD22 LEU 13 14.143 0.401 -3.295 90 HD23 LEU 13 HD23 LEU 13 13.452 -0.324 -4.748 91 HA PRO 14 HA PRO 14 9.270 0.860 -1.584 92 HB2 PRO 14 HB2 PRO 14 7.610 1.751 -3.539 93 HB3 PRO 14 HB3 PRO 14 9.360 1.998 -3.578 94 HG2 PRO 14 HG2 PRO 14 7.707 -0.066 -4.982 95 HG3 PRO 14 HG3 PRO 14 9.061 0.896 -5.604 96 HD2 PRO 14 HD2 PRO 14 9.347 -1.675 -4.804 97 HD3 PRO 14 HD3 PRO 14 10.643 -0.474 -4.636 98 H LEU 15 H LEU 15 8.104 -0.287 0.011 99 HA LEU 15 HA LEU 15 5.267 -0.728 -0.654 100 HB2 LEU 15 HB2 LEU 15 7.179 -2.364 0.932 101 HB3 LEU 15 HB3 LEU 15 5.495 -2.314 1.450 102 HG LEU 15 HG LEU 15 6.175 -4.259 -0.019 103 HD11 LEU 15 HD11 LEU 15 3.818 -2.797 0.144 104 HD12 LEU 15 HD12 LEU 15 4.007 -4.442 -0.462 105 HD13 LEU 15 HD13 LEU 15 4.054 -3.080 -1.581 106 HD21 LEU 15 HD21 LEU 15 6.626 -3.981 -2.265 107 HD22 LEU 15 HD22 LEU 15 7.483 -2.614 -1.553 108 HD23 LEU 15 HD23 LEU 15 5.913 -2.369 -2.318 109 H CYS 16 H CYS 16 3.866 -0.671 1.380 110 HA CYS 16 HA CYS 16 4.180 1.872 2.602 111 HB2 CYS 16 HB2 CYS 16 2.020 0.477 2.098 112 HB3 CYS 16 HB3 CYS 16 2.322 -0.213 3.689 113 H PHE 17 H PHE 17 4.146 2.233 4.965 114 HA PHE 17 HA PHE 17 6.359 0.967 6.198 115 HB2 PHE 17 HB2 PHE 17 4.297 2.945 7.126 116 HB3 PHE 17 HB3 PHE 17 5.453 2.258 8.263 117 HD1 PHE 17 HD1 PHE 17 7.970 2.336 7.387 118 HD2 PHE 17 HD2 PHE 17 4.840 4.938 6.141 119 HE1 PHE 17 HE1 PHE 17 9.638 4.012 6.706 120 HE2 PHE 17 HE2 PHE 17 6.503 6.617 5.457 121 HZ PHE 17 HZ PHE 17 8.906 6.155 5.739 122 H LYS 18 H LYS 18 6.163 0.118 8.520 123 HA LYS 18 HA LYS 18 4.616 -2.257 8.457 124 HB2 LYS 18 HB2 LYS 18 6.485 -2.607 9.719 125 HB3 LYS 18 HB3 LYS 18 6.495 -0.967 10.354 126 HG2 LYS 18 HG2 LYS 18 4.879 -1.482 11.990 127 HG3 LYS 18 HG3 LYS 18 4.479 -3.018 11.217 128 HD2 LYS 18 HD2 LYS 18 5.820 -3.539 13.104 129 HD3 LYS 18 HD3 LYS 18 6.851 -3.737 11.686 130 HE2 LYS 18 HE2 LYS 18 8.100 -1.866 12.167 131 HE3 LYS 18 HE3 LYS 18 6.800 -1.103 13.081 132 HZ1 LYS 18 HZ1 LYS 18 7.269 -3.221 14.602 133 HZ2 LYS 18 HZ2 LYS 18 8.069 -1.746 14.810 134 HZ3 LYS 18 HZ3 LYS 18 8.819 -3.001 13.960 135 HA PRO 19 HA PRO 19 1.985 -0.181 11.936 136 HB2 PRO 19 HB2 PRO 19 2.374 2.469 12.378 137 HB3 PRO 19 HB3 PRO 19 3.286 1.211 13.220 138 HG2 PRO 19 HG2 PRO 19 4.081 2.866 10.856 139 HG3 PRO 19 HG3 PRO 19 5.036 2.421 12.282 140 HD2 PRO 19 HD2 PRO 19 5.288 1.148 9.906 141 HD3 PRO 19 HD3 PRO 19 5.519 0.323 11.460 142 H ILE 20 H ILE 20 2.784 1.490 8.995 143 HA ILE 20 HA ILE 20 0.107 2.651 8.799 144 HB ILE 20 HB ILE 20 2.298 2.926 6.755 145 HG12 ILE 20 HG12 ILE 20 3.247 3.622 8.885 146 HG13 ILE 20 HG13 ILE 20 2.922 5.038 7.891 147 HG21 ILE 20 HG21 ILE 20 -0.158 4.522 7.444 148 HG22 ILE 20 HG22 ILE 20 1.100 5.097 6.352 149 HG23 ILE 20 HG23 ILE 20 0.181 3.647 5.952 150 HD11 ILE 20 HD11 ILE 20 0.811 5.359 9.162 151 HD12 ILE 20 HD12 ILE 20 1.315 4.047 10.228 152 HD13 ILE 20 HD13 ILE 20 2.276 5.522 10.130 153 H CYS 21 H CYS 21 -1.184 2.336 6.891 154 HA CYS 21 HA CYS 21 -2.236 1.067 5.323 155 HB2 CYS 21 HB2 CYS 21 0.452 -0.237 4.863 156 HB3 CYS 21 HB3 CYS 21 -0.904 -0.175 3.743 157 H ILE 22 H ILE 22 -2.735 0.212 7.769 158 HA ILE 22 HA ILE 22 -2.142 -2.632 7.978 159 HB ILE 22 HB ILE 22 -3.793 -0.907 9.826 160 HG12 ILE 22 HG12 ILE 22 -0.886 -1.729 10.016 161 HG13 ILE 22 HG13 ILE 22 -1.475 -0.105 9.676 162 HG21 ILE 22 HG21 ILE 22 -2.496 -3.573 10.356 163 HG22 ILE 22 HG22 ILE 22 -3.590 -2.682 11.413 164 HG23 ILE 22 HG23 ILE 22 -4.188 -3.372 9.905 165 HD11 ILE 22 HD11 ILE 22 -2.677 -1.031 12.083 166 HD12 ILE 22 HD12 ILE 22 -0.933 -1.279 12.173 167 HD13 ILE 22 HD13 ILE 22 -1.580 0.326 11.837 168 HA PRO 23 HA PRO 23 -5.904 -3.811 5.970 169 HB2 PRO 23 HB2 PRO 23 -5.881 -6.425 6.706 170 HB3 PRO 23 HB3 PRO 23 -4.821 -5.770 5.452 171 HG2 PRO 23 HG2 PRO 23 -4.220 -6.352 8.326 172 HG3 PRO 23 HG3 PRO 23 -3.235 -6.681 6.889 173 HD2 PRO 23 HD2 PRO 23 -2.780 -4.564 8.514 174 HD3 PRO 23 HD3 PRO 23 -2.463 -4.513 6.768 175 H THR 24 H THR 24 -5.363 -5.083 9.261 176 HA THR 24 HA THR 24 -8.140 -5.379 9.822 177 HB THR 24 HB THR 24 -6.341 -6.681 10.968 178 HG1 THR 24 HG1 THR 24 -7.988 -5.179 12.747 179 HG21 THR 24 HG21 THR 24 -5.336 -4.102 11.536 180 HG22 THR 24 HG22 THR 24 -4.665 -5.659 12.020 181 HG23 THR 24 HG23 THR 24 -5.804 -4.823 13.075 182 H LEU 25 H LEU 25 -6.022 -2.712 9.834 183 HA LEU 25 HA LEU 25 -6.274 -0.526 10.407 184 HB2 LEU 25 HB2 LEU 25 -9.008 -1.533 10.086 185 HB3 LEU 25 HB3 LEU 25 -8.878 -0.097 11.100 186 HG LEU 25 HG LEU 25 -7.347 0.432 8.804 187 HD11 LEU 25 HD11 LEU 25 -10.036 -0.211 7.778 188 HD12 LEU 25 HD12 LEU 25 -8.956 -1.578 8.045 189 HD13 LEU 25 HD13 LEU 25 -8.467 -0.265 6.975 190 HD21 LEU 25 HD21 LEU 25 -9.880 1.382 10.032 191 HD22 LEU 25 HD22 LEU 25 -9.508 1.902 8.389 192 HD23 LEU 25 HD23 LEU 25 -8.383 2.254 9.701 193 HA PRO 26 HA PRO 26 -6.016 -0.180 14.773 194 HB2 PRO 26 HB2 PRO 26 -6.771 2.392 15.205 195 HB3 PRO 26 HB3 PRO 26 -5.227 1.956 14.464 196 HG2 PRO 26 HG2 PRO 26 -7.769 2.848 13.159 197 HG3 PRO 26 HG3 PRO 26 -6.100 3.329 12.803 198 HD2 PRO 26 HD2 PRO 26 -7.438 1.504 11.317 199 HD3 PRO 26 HD3 PRO 26 -5.682 1.429 11.568 200 HA PRO 27 HA PRO 27 -9.864 -0.794 16.810 201 HB2 PRO 27 HB2 PRO 27 -9.444 0.337 19.242 202 HB3 PRO 27 HB3 PRO 27 -8.682 -1.178 18.743 203 HG2 PRO 27 HG2 PRO 27 -7.553 1.595 18.759 204 HG3 PRO 27 HG3 PRO 27 -6.792 0.075 19.262 205 HD2 PRO 27 HD2 PRO 27 -6.298 1.227 16.862 206 HD3 PRO 27 HD3 PRO 27 -6.283 -0.533 17.098 207 H LEU 28 H LEU 28 -11.513 0.446 18.296 208 HA LEU 28 HA LEU 28 -11.885 3.141 17.160 209 HB2 LEU 28 HB2 LEU 28 -13.460 1.110 16.561 210 HB3 LEU 28 HB3 LEU 28 -14.201 1.527 18.104 211 HG LEU 28 HG LEU 28 -13.812 3.706 16.121 212 HD11 LEU 28 HD11 LEU 28 -16.270 2.058 15.875 213 HD12 LEU 28 HD12 LEU 28 -14.806 1.500 15.065 214 HD13 LEU 28 HD13 LEU 28 -15.472 3.089 14.687 215 HD21 LEU 28 HD21 LEU 28 -14.733 4.292 18.241 216 HD22 LEU 28 HD22 LEU 28 -15.905 2.977 18.162 217 HD23 LEU 28 HD23 LEU 28 -16.041 4.347 17.060 218 H THR 29 H THR 29 -10.443 3.168 19.355 219 HA THR 29 HA THR 29 -12.186 3.447 21.681 220 HB THR 29 HB THR 29 -9.241 4.008 21.736 221 HG1 THR 29 HG1 THR 29 -10.494 1.449 21.697 222 HG21 THR 29 HG21 THR 29 -9.529 3.971 23.951 223 HG22 THR 29 HG22 THR 29 -10.381 2.428 23.877 224 HG23 THR 29 HG23 THR 29 -11.265 3.937 23.647 225 H GLY 30 H GLY 30 -10.265 5.379 19.472 226 HA2 GLY 30 HA2 GLY 30 -10.166 7.785 20.881 227 HA3 GLY 30 HA3 GLY 30 -10.164 7.645 19.129 228 H GLY 31 H GLY 31 -12.851 6.241 19.339 229 HA2 GLY 31 HA2 GLY 31 -14.421 8.667 19.144 230 HA3 GLY 31 HA3 GLY 31 -14.966 7.035 18.782 231 H HIS 32 H HIS 32 -14.965 5.597 20.880 232 HA HIS 32 HA HIS 32 -16.626 7.045 22.802 233 HB2 HIS 32 HB2 HIS 32 -17.651 5.065 21.901 234 HB3 HIS 32 HB3 HIS 32 -16.232 4.094 22.283 235 HD1 HIS 32 HD1 HIS 32 -19.275 5.608 23.826 236 HD2 HIS 32 HD2 HIS 32 -16.021 3.287 24.961 237 HE1 HIS 32 HE1 HIS 32 -19.834 4.741 26.120 238 H ALA 33 H ALA 33 -16.104 7.313 24.906 239 HA ALA 33 HA ALA 33 -13.377 6.679 25.687 240 HB1 ALA 33 HB1 ALA 33 -15.255 8.064 27.529 241 HB2 ALA 33 HB2 ALA 33 -13.539 8.350 27.235 242 HB3 ALA 33 HB3 ALA 33 -14.738 8.907 26.068 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 1.619 0.417 0.745 2 HA2 GLY 1 HA2 GLY 1 2.886 0.043 -1.167 3 HA3 GLY 1 HA3 GLY 1 1.401 -0.016 -2.104 4 H VAL 2 H VAL 2 3.619 2.207 -0.464 5 HA VAL 2 HA VAL 2 3.374 4.070 -2.670 6 HB VAL 2 HB VAL 2 2.981 5.997 -1.049 7 HG11 VAL 2 HG11 VAL 2 0.601 4.185 -1.252 8 HG12 VAL 2 HG12 VAL 2 0.677 5.942 -1.407 9 HG13 VAL 2 HG13 VAL 2 1.322 4.914 -2.687 10 HG21 VAL 2 HG21 VAL 2 2.131 3.688 0.689 11 HG22 VAL 2 HG22 VAL 2 3.344 4.917 1.047 12 HG23 VAL 2 HG23 VAL 2 1.639 5.358 0.970 13 H LEU 3 H LEU 3 4.664 3.544 0.598 14 HA LEU 3 HA LEU 3 7.344 3.686 -0.139 15 HB2 LEU 3 HB2 LEU 3 7.189 5.950 -0.662 16 HB3 LEU 3 HB3 LEU 3 6.107 6.283 0.688 17 HG LEU 3 HG LEU 3 7.973 6.035 2.249 18 HD11 LEU 3 HD11 LEU 3 9.191 4.693 0.115 19 HD12 LEU 3 HD12 LEU 3 9.876 5.038 1.703 20 HD13 LEU 3 HD13 LEU 3 10.137 6.160 0.368 21 HD21 LEU 3 HD21 LEU 3 8.974 7.905 0.152 22 HD22 LEU 3 HD22 LEU 3 8.846 8.132 1.897 23 HD23 LEU 3 HD23 LEU 3 7.398 8.196 0.891 24 H GLY 4 H GLY 4 8.651 3.072 1.531 25 HA2 GLY 4 HA2 GLY 4 8.760 3.477 4.121 26 HA3 GLY 4 HA3 GLY 4 7.288 2.519 4.065 27 H ASN 5 H ASN 5 7.897 0.660 5.022 28 HA ASN 5 HA ASN 5 10.057 -0.849 3.718 29 HB2 ASN 5 HB2 ASN 5 9.711 -0.212 6.606 30 HB3 ASN 5 HB3 ASN 5 10.291 -1.824 6.195 31 HD21 ASN 5 HD21 ASN 5 12.337 -1.575 6.953 32 HD22 ASN 5 HD22 ASN 5 13.491 -0.493 6.257 33 H ASP 6 H ASP 6 7.456 -1.226 6.132 34 HA ASP 6 HA ASP 6 7.013 -3.945 5.754 35 HB2 ASP 6 HB2 ASP 6 6.016 -2.174 7.469 36 HB3 ASP 6 HB3 ASP 6 4.673 -2.188 6.328 37 H ALA 7 H ALA 7 4.662 -4.678 4.986 38 HA ALA 7 HA ALA 7 4.361 -3.679 2.229 39 HB1 ALA 7 HB1 ALA 7 5.168 -5.873 2.050 40 HB2 ALA 7 HB2 ALA 7 4.123 -6.456 3.347 41 HB3 ALA 7 HB3 ALA 7 3.429 -6.011 1.788 42 H GLU 8 H GLU 8 2.470 -2.794 1.719 43 HA GLU 8 HA GLU 8 0.309 -2.827 3.639 44 HB2 GLU 8 HB2 GLU 8 -0.568 -1.018 2.501 45 HB3 GLU 8 HB3 GLU 8 1.147 -0.840 2.162 46 HG2 GLU 8 HG2 GLU 8 0.841 -1.887 -0.013 47 HG3 GLU 8 HG3 GLU 8 -0.875 -2.104 0.325 48 H GLY 9 H GLY 9 1.242 -4.955 1.364 49 HA2 GLY 9 HA2 GLY 9 -0.414 -6.856 1.221 50 HA3 GLY 9 HA3 GLY 9 -1.529 -5.644 0.607 51 H ILE 10 H ILE 10 1.765 -5.347 -0.327 52 HA ILE 10 HA ILE 10 1.202 -6.651 -2.903 53 HB ILE 10 HB ILE 10 2.703 -4.047 -2.689 54 HG12 ILE 10 HG12 ILE 10 -0.026 -4.114 -3.860 55 HG13 ILE 10 HG13 ILE 10 0.085 -4.187 -2.105 56 HG21 ILE 10 HG21 ILE 10 2.207 -5.960 -4.782 57 HG22 ILE 10 HG22 ILE 10 1.557 -4.379 -5.214 58 HG23 ILE 10 HG23 ILE 10 3.258 -4.544 -4.783 59 HD11 ILE 10 HD11 ILE 10 1.781 -2.122 -3.218 60 HD12 ILE 10 HD12 ILE 10 0.086 -1.914 -3.659 61 HD13 ILE 10 HD13 ILE 10 0.548 -2.024 -1.960 62 H THR 11 H THR 11 3.013 -7.465 -4.018 63 HA THR 11 HA THR 11 5.135 -8.353 -2.300 64 HB THR 11 HB THR 11 4.874 -8.726 -5.289 65 HG1 THR 11 HG1 THR 11 3.700 -10.031 -3.096 66 HG21 THR 11 HG21 THR 11 6.573 -10.007 -3.167 67 HG22 THR 11 HG22 THR 11 7.075 -9.286 -4.696 68 HG23 THR 11 HG23 THR 11 6.217 -10.826 -4.687 69 H LEU 12 H LEU 12 4.676 -5.759 -4.513 70 HA LEU 12 HA LEU 12 7.154 -5.209 -5.518 71 HB2 LEU 12 HB2 LEU 12 5.133 -3.290 -4.375 72 HB3 LEU 12 HB3 LEU 12 6.538 -2.793 -5.316 73 HG LEU 12 HG LEU 12 4.403 -4.627 -6.389 74 HD11 LEU 12 HD11 LEU 12 4.504 -1.825 -7.289 75 HD12 LEU 12 HD12 LEU 12 3.873 -2.089 -5.664 76 HD13 LEU 12 HD13 LEU 12 3.122 -2.894 -7.042 77 HD21 LEU 12 HD21 LEU 12 6.101 -4.900 -7.860 78 HD22 LEU 12 HD22 LEU 12 6.865 -3.368 -7.435 79 HD23 LEU 12 HD23 LEU 12 5.466 -3.389 -8.510 80 H LEU 13 H LEU 13 8.802 -3.641 -4.823 81 HA LEU 13 HA LEU 13 9.731 -4.264 -2.189 82 HB2 LEU 13 HB2 LEU 13 11.524 -4.048 -3.559 83 HB3 LEU 13 HB3 LEU 13 10.752 -2.811 -4.550 84 HG LEU 13 HG LEU 13 11.256 -1.128 -2.852 85 HD11 LEU 13 HD11 LEU 13 11.275 -2.143 -0.790 86 HD12 LEU 13 HD12 LEU 13 13.001 -1.950 -1.093 87 HD13 LEU 13 HD13 LEU 13 12.231 -3.515 -1.352 88 HD21 LEU 13 HD21 LEU 13 13.788 -1.280 -3.023 89 HD22 LEU 13 HD22 LEU 13 12.886 -1.293 -4.539 90 HD23 LEU 13 HD23 LEU 13 13.532 -2.798 -3.883 91 HA PRO 14 HA PRO 14 9.047 0.450 -1.403 92 HB2 PRO 14 HB2 PRO 14 7.691 1.850 -3.293 93 HB3 PRO 14 HB3 PRO 14 9.448 1.660 -3.315 94 HG2 PRO 14 HG2 PRO 14 7.362 0.164 -4.856 95 HG3 PRO 14 HG3 PRO 14 8.922 0.801 -5.411 96 HD2 PRO 14 HD2 PRO 14 8.552 -1.808 -4.787 97 HD3 PRO 14 HD3 PRO 14 10.101 -0.977 -4.538 98 H LEU 15 H LEU 15 7.608 -0.471 0.112 99 HA LEU 15 HA LEU 15 4.762 -0.150 -0.580 100 HB2 LEU 15 HB2 LEU 15 6.182 -2.320 0.873 101 HB3 LEU 15 HB3 LEU 15 4.559 -1.887 1.407 102 HG LEU 15 HG LEU 15 4.737 -3.829 -0.200 103 HD11 LEU 15 HD11 LEU 15 2.830 -1.830 0.074 104 HD12 LEU 15 HD12 LEU 15 2.602 -3.418 -0.656 105 HD13 LEU 15 HD13 LEU 15 3.014 -2.035 -1.668 106 HD21 LEU 15 HD21 LEU 15 5.290 -3.529 -2.416 107 HD22 LEU 15 HD22 LEU 15 6.444 -2.460 -1.617 108 HD23 LEU 15 HD23 LEU 15 4.994 -1.791 -2.367 109 H CYS 16 H CYS 16 3.381 0.135 1.436 110 HA CYS 16 HA CYS 16 4.200 2.449 2.799 111 HB2 CYS 16 HB2 CYS 16 1.817 1.537 2.368 112 HB3 CYS 16 HB3 CYS 16 2.064 0.605 3.842 113 H PHE 17 H PHE 17 4.428 2.725 5.137 114 HA PHE 17 HA PHE 17 6.364 0.912 6.195 115 HB2 PHE 17 HB2 PHE 17 5.194 3.512 6.979 116 HB3 PHE 17 HB3 PHE 17 5.774 2.509 8.305 117 HD1 PHE 17 HD1 PHE 17 8.152 1.289 7.481 118 HD2 PHE 17 HD2 PHE 17 6.693 5.143 6.416 119 HE1 PHE 17 HE1 PHE 17 10.455 2.035 7.041 120 HE2 PHE 17 HE2 PHE 17 8.993 5.895 5.974 121 HZ PHE 17 HZ PHE 17 10.878 4.341 6.285 122 H LYS 18 H LYS 18 6.165 0.120 8.507 123 HA LYS 18 HA LYS 18 3.958 -1.654 8.676 124 HB2 LYS 18 HB2 LYS 18 5.759 -2.594 9.715 125 HB3 LYS 18 HB3 LYS 18 6.361 -1.051 10.305 126 HG2 LYS 18 HG2 LYS 18 4.864 -1.054 12.130 127 HG3 LYS 18 HG3 LYS 18 3.929 -2.389 11.452 128 HD2 LYS 18 HD2 LYS 18 6.385 -3.517 11.597 129 HD3 LYS 18 HD3 LYS 18 6.448 -2.419 12.977 130 HE2 LYS 18 HE2 LYS 18 3.926 -3.843 12.826 131 HE3 LYS 18 HE3 LYS 18 5.301 -4.942 12.917 132 HZ1 LYS 18 HZ1 LYS 18 4.655 -4.470 15.120 133 HZ2 LYS 18 HZ2 LYS 18 4.561 -2.806 14.832 134 HZ3 LYS 18 HZ3 LYS 18 6.067 -3.575 14.856 135 HA PRO 19 HA PRO 19 2.550 1.086 12.398 136 HB2 PRO 19 HB2 PRO 19 3.794 3.477 12.725 137 HB3 PRO 19 HB3 PRO 19 4.366 1.985 13.482 138 HG2 PRO 19 HG2 PRO 19 5.340 3.343 10.999 139 HG3 PRO 19 HG3 PRO 19 6.277 2.603 12.310 140 HD2 PRO 19 HD2 PRO 19 5.828 1.349 9.952 141 HD3 PRO 19 HD3 PRO 19 5.979 0.470 11.488 142 H ILE 20 H ILE 20 3.501 2.525 9.368 143 HA ILE 20 HA ILE 20 1.466 4.574 9.446 144 HB ILE 20 HB ILE 20 3.215 3.677 7.152 145 HG12 ILE 20 HG12 ILE 20 4.533 4.563 9.004 146 HG13 ILE 20 HG13 ILE 20 4.523 5.709 7.668 147 HG21 ILE 20 HG21 ILE 20 1.241 4.774 6.324 148 HG22 ILE 20 HG22 ILE 20 1.442 6.092 7.477 149 HG23 ILE 20 HG23 ILE 20 2.611 5.874 6.175 150 HD11 ILE 20 HD11 ILE 20 3.834 7.279 9.056 151 HD12 ILE 20 HD12 ILE 20 2.354 6.364 9.346 152 HD13 ILE 20 HD13 ILE 20 3.763 6.109 10.374 153 H CYS 21 H CYS 21 1.816 1.336 8.232 154 HA CYS 21 HA CYS 21 -0.978 1.405 7.351 155 HB2 CYS 21 HB2 CYS 21 1.393 0.546 5.718 156 HB3 CYS 21 HB3 CYS 21 -0.193 -0.162 5.431 157 H ILE 22 H ILE 22 -1.576 0.240 9.171 158 HA ILE 22 HA ILE 22 -0.361 -2.400 9.551 159 HB ILE 22 HB ILE 22 -2.310 -0.926 11.326 160 HG12 ILE 22 HG12 ILE 22 0.637 -1.406 11.785 161 HG13 ILE 22 HG13 ILE 22 0.004 0.079 11.083 162 HG21 ILE 22 HG21 ILE 22 -0.695 -3.412 11.877 163 HG22 ILE 22 HG22 ILE 22 -1.823 -2.622 12.978 164 HG23 ILE 22 HG23 ILE 22 -2.419 -3.384 11.504 165 HD11 ILE 22 HD11 ILE 22 0.226 -0.674 13.827 166 HD12 ILE 22 HD12 ILE 22 -0.252 0.873 13.126 167 HD13 ILE 22 HD13 ILE 22 -1.465 -0.371 13.429 168 HA PRO 23 HA PRO 23 -3.799 -4.325 7.539 169 HB2 PRO 23 HB2 PRO 23 -3.304 -6.864 8.362 170 HB3 PRO 23 HB3 PRO 23 -2.360 -6.061 7.101 171 HG2 PRO 23 HG2 PRO 23 -1.717 -6.434 10.001 172 HG3 PRO 23 HG3 PRO 23 -0.661 -6.616 8.588 173 HD2 PRO 23 HD2 PRO 23 -0.639 -4.403 10.148 174 HD3 PRO 23 HD3 PRO 23 -0.303 -4.346 8.406 175 H THR 24 H THR 24 -3.094 -5.364 10.880 176 HA THR 24 HA THR 24 -5.684 -6.281 11.467 177 HB THR 24 HB THR 24 -5.021 -6.090 13.850 178 HG1 THR 24 HG1 THR 24 -2.933 -5.285 14.313 179 HG21 THR 24 HG21 THR 24 -4.380 -8.077 12.611 180 HG22 THR 24 HG22 THR 24 -3.091 -7.631 13.729 181 HG23 THR 24 HG23 THR 24 -2.934 -7.267 12.011 182 H LEU 25 H LEU 25 -4.376 -3.105 11.284 183 HA LEU 25 HA LEU 25 -5.269 -1.037 11.591 184 HB2 LEU 25 HB2 LEU 25 -7.698 -2.751 11.325 185 HB3 LEU 25 HB3 LEU 25 -7.879 -1.057 11.779 186 HG LEU 25 HG LEU 25 -6.526 -2.023 9.261 187 HD11 LEU 25 HD11 LEU 25 -8.876 -2.567 9.174 188 HD12 LEU 25 HD12 LEU 25 -8.549 -1.188 8.125 189 HD13 LEU 25 HD13 LEU 25 -9.304 -0.939 9.699 190 HD21 LEU 25 HD21 LEU 25 -5.715 0.136 10.040 191 HD22 LEU 25 HD22 LEU 25 -7.372 0.729 10.164 192 HD23 LEU 25 HD23 LEU 25 -6.695 0.324 8.586 193 HA PRO 26 HA PRO 26 -5.723 -0.312 15.894 194 HB2 PRO 26 HB2 PRO 26 -7.146 2.000 15.944 195 HB3 PRO 26 HB3 PRO 26 -5.452 1.925 15.447 196 HG2 PRO 26 HG2 PRO 26 -7.920 2.021 13.755 197 HG3 PRO 26 HG3 PRO 26 -6.389 2.892 13.551 198 HD2 PRO 26 HD2 PRO 26 -7.003 0.673 12.127 199 HD3 PRO 26 HD3 PRO 26 -5.339 1.077 12.594 200 HA PRO 27 HA PRO 27 -9.551 -1.750 17.510 201 HB2 PRO 27 HB2 PRO 27 -9.779 -0.368 19.836 202 HB3 PRO 27 HB3 PRO 27 -8.602 -1.666 19.601 203 HG2 PRO 27 HG2 PRO 27 -8.209 1.298 19.447 204 HG3 PRO 27 HG3 PRO 27 -7.176 0.070 20.202 205 HD2 PRO 27 HD2 PRO 27 -6.642 1.126 17.766 206 HD3 PRO 27 HD3 PRO 27 -6.227 -0.546 18.194 207 H LEU 28 H LEU 28 -11.575 -0.713 18.840 208 HA LEU 28 HA LEU 28 -12.733 1.173 16.955 209 HB2 LEU 28 HB2 LEU 28 -14.834 0.593 17.867 210 HB3 LEU 28 HB3 LEU 28 -13.913 -0.902 17.715 211 HG LEU 28 HG LEU 28 -13.351 -0.361 20.257 212 HD11 LEU 28 HD11 LEU 28 -16.140 0.482 20.448 213 HD12 LEU 28 HD12 LEU 28 -15.075 1.694 19.739 214 HD13 LEU 28 HD13 LEU 28 -14.720 1.037 21.336 215 HD21 LEU 28 HD21 LEU 28 -14.770 -2.238 18.971 216 HD22 LEU 28 HD22 LEU 28 -16.063 -1.472 19.895 217 HD23 LEU 28 HD23 LEU 28 -14.659 -2.142 20.728 218 H THR 29 H THR 29 -11.680 1.034 20.280 219 HA THR 29 HA THR 29 -12.946 3.412 21.167 220 HB THR 29 HB THR 29 -12.162 1.809 22.796 221 HG1 THR 29 HG1 THR 29 -10.422 4.013 23.127 222 HG21 THR 29 HG21 THR 29 -10.206 0.762 22.599 223 HG22 THR 29 HG22 THR 29 -9.345 2.292 22.769 224 HG23 THR 29 HG23 THR 29 -9.847 1.735 21.173 225 H GLY 30 H GLY 30 -10.010 2.760 19.415 226 HA2 GLY 30 HA2 GLY 30 -8.583 5.113 19.922 227 HA3 GLY 30 HA3 GLY 30 -8.458 4.151 18.456 228 H GLY 31 H GLY 31 -11.480 4.645 18.133 229 HA2 GLY 31 HA2 GLY 31 -12.031 7.341 17.799 230 HA3 GLY 31 HA3 GLY 31 -11.217 6.827 16.329 231 H HIS 32 H HIS 32 -14.104 6.600 18.246 232 HA HIS 32 HA HIS 32 -15.410 5.137 16.045 233 HB2 HIS 32 HB2 HIS 32 -17.051 4.348 17.735 234 HB3 HIS 32 HB3 HIS 32 -15.412 3.791 18.060 235 HD1 HIS 32 HD1 HIS 32 -18.076 6.058 19.383 236 HD2 HIS 32 HD2 HIS 32 -14.256 4.782 20.405 237 HE1 HIS 32 HE1 HIS 32 -17.726 6.816 21.755 238 H ALA 33 H ALA 33 -15.729 7.725 18.422 239 HA ALA 33 HA ALA 33 -17.984 8.800 16.855 240 HB1 ALA 33 HB1 ALA 33 -18.734 9.924 18.882 241 HB2 ALA 33 HB2 ALA 33 -18.615 8.182 19.137 242 HB3 ALA 33 HB3 ALA 33 -17.367 9.254 19.772 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 2.457 0.567 1.279 2 HA2 GLY 1 HA2 GLY 1 2.798 -0.198 -0.898 3 HA3 GLY 1 HA3 GLY 1 1.111 0.142 -1.255 4 H VAL 2 H VAL 2 3.994 2.013 -0.290 5 HA VAL 2 HA VAL 2 3.800 3.610 -2.696 6 HB VAL 2 HB VAL 2 3.845 5.758 -1.311 7 HG11 VAL 2 HG11 VAL 2 1.626 6.059 -1.716 8 HG12 VAL 2 HG12 VAL 2 1.869 4.568 -2.629 9 HG13 VAL 2 HG13 VAL 2 1.172 4.508 -1.010 10 HG21 VAL 2 HG21 VAL 2 4.204 4.899 0.878 11 HG22 VAL 2 HG22 VAL 2 2.571 5.564 0.849 12 HG23 VAL 2 HG23 VAL 2 2.815 3.820 0.752 13 H LEU 3 H LEU 3 5.298 3.342 0.517 14 HA LEU 3 HA LEU 3 7.886 2.927 -0.381 15 HB2 LEU 3 HB2 LEU 3 8.141 5.011 -1.316 16 HB3 LEU 3 HB3 LEU 3 7.103 5.789 -0.123 17 HG LEU 3 HG LEU 3 8.915 5.578 1.543 18 HD11 LEU 3 HD11 LEU 3 9.955 3.719 -0.221 19 HD12 LEU 3 HD12 LEU 3 10.756 4.376 1.205 20 HD13 LEU 3 HD13 LEU 3 11.033 5.106 -0.376 21 HD21 LEU 3 HD21 LEU 3 9.227 7.668 0.838 22 HD22 LEU 3 HD22 LEU 3 8.929 7.228 -0.844 23 HD23 LEU 3 HD23 LEU 3 10.542 7.036 -0.153 24 H GLY 4 H GLY 4 9.078 2.225 1.293 25 HA2 GLY 4 HA2 GLY 4 9.185 3.312 3.855 26 HA3 GLY 4 HA3 GLY 4 7.941 2.070 3.882 27 H ASN 5 H ASN 5 8.657 0.205 4.641 28 HA ASN 5 HA ASN 5 11.140 -0.914 3.652 29 HB2 ASN 5 HB2 ASN 5 12.057 0.258 5.506 30 HB3 ASN 5 HB3 ASN 5 10.719 -0.205 6.554 31 HD21 ASN 5 HD21 ASN 5 12.201 -1.021 8.064 32 HD22 ASN 5 HD22 ASN 5 12.986 -2.542 7.824 33 H ASP 6 H ASP 6 8.995 -1.500 6.439 34 HA ASP 6 HA ASP 6 8.957 -4.290 6.137 35 HB2 ASP 6 HB2 ASP 6 8.355 -3.337 8.252 36 HB3 ASP 6 HB3 ASP 6 7.046 -2.409 7.527 37 H ALA 7 H ALA 7 5.880 -2.616 6.034 38 HA ALA 7 HA ALA 7 5.229 -2.873 3.351 39 HB1 ALA 7 HB1 ALA 7 3.635 -4.996 3.923 40 HB2 ALA 7 HB2 ALA 7 5.195 -5.104 3.106 41 HB3 ALA 7 HB3 ALA 7 5.086 -5.395 4.842 42 H GLU 8 H GLU 8 2.804 -2.889 2.988 43 HA GLU 8 HA GLU 8 1.431 -1.693 5.305 44 HB2 GLU 8 HB2 GLU 8 0.535 0.005 4.007 45 HB3 GLU 8 HB3 GLU 8 2.149 -0.158 3.328 46 HG2 GLU 8 HG2 GLU 8 1.271 -1.485 1.497 47 HG3 GLU 8 HG3 GLU 8 -0.348 -1.397 2.190 48 H GLY 9 H GLY 9 1.471 -4.201 3.116 49 HA2 GLY 9 HA2 GLY 9 -0.495 -5.749 3.881 50 HA3 GLY 9 HA3 GLY 9 -1.443 -4.518 3.061 51 H ILE 10 H ILE 10 0.843 -4.187 1.101 52 HA ILE 10 HA ILE 10 -0.051 -6.284 -0.707 53 HB ILE 10 HB ILE 10 1.942 -4.232 -1.542 54 HG12 ILE 10 HG12 ILE 10 0.382 -2.908 -0.234 55 HG13 ILE 10 HG13 ILE 10 0.106 -2.609 -1.947 56 HG21 ILE 10 HG21 ILE 10 -0.102 -4.392 -3.387 57 HG22 ILE 10 HG22 ILE 10 1.435 -5.252 -3.458 58 HG23 ILE 10 HG23 ILE 10 0.018 -6.036 -2.759 59 HD11 ILE 10 HD11 ILE 10 -2.023 -3.123 -1.681 60 HD12 ILE 10 HD12 ILE 10 -1.572 -4.747 -1.161 61 HD13 ILE 10 HD13 ILE 10 -1.737 -3.454 0.027 62 H THR 11 H THR 11 1.625 -7.256 -2.188 63 HA THR 11 HA THR 11 3.876 -8.193 -0.556 64 HB THR 11 HB THR 11 2.772 -9.394 -3.103 65 HG1 THR 11 HG1 THR 11 1.255 -10.049 -1.773 66 HG21 THR 11 HG21 THR 11 4.071 -11.369 -1.711 67 HG22 THR 11 HG22 THR 11 5.098 -9.964 -1.421 68 HG23 THR 11 HG23 THR 11 4.742 -10.472 -3.072 69 H LEU 12 H LEU 12 3.150 -6.213 -3.226 70 HA LEU 12 HA LEU 12 5.293 -6.492 -4.931 71 HB2 LEU 12 HB2 LEU 12 4.047 -3.894 -4.047 72 HB3 LEU 12 HB3 LEU 12 4.979 -4.153 -5.520 73 HG LEU 12 HG LEU 12 2.508 -5.763 -5.098 74 HD11 LEU 12 HD11 LEU 12 1.031 -4.096 -5.588 75 HD12 LEU 12 HD12 LEU 12 2.244 -3.104 -6.397 76 HD13 LEU 12 HD13 LEU 12 2.203 -3.183 -4.636 77 HD21 LEU 12 HD21 LEU 12 3.903 -4.556 -7.482 78 HD22 LEU 12 HD22 LEU 12 2.387 -5.454 -7.560 79 HD23 LEU 12 HD23 LEU 12 3.862 -6.257 -7.018 80 H LEU 13 H LEU 13 7.155 -4.925 -5.174 81 HA LEU 13 HA LEU 13 8.820 -5.120 -2.873 82 HB2 LEU 13 HB2 LEU 13 10.104 -5.261 -4.736 83 HB3 LEU 13 HB3 LEU 13 9.086 -4.151 -5.652 84 HG LEU 13 HG LEU 13 10.121 -2.253 -4.512 85 HD11 LEU 13 HD11 LEU 13 10.750 -2.934 -2.403 86 HD12 LEU 13 HD12 LEU 13 12.302 -2.882 -3.239 87 HD13 LEU 13 HD13 LEU 13 11.488 -4.426 -2.987 88 HD21 LEU 13 HD21 LEU 13 11.144 -2.812 -6.555 89 HD22 LEU 13 HD22 LEU 13 11.937 -4.229 -5.866 90 HD23 LEU 13 HD23 LEU 13 12.471 -2.610 -5.411 91 HA PRO 14 HA PRO 14 8.493 -0.303 -2.773 92 HB2 PRO 14 HB2 PRO 14 6.631 0.856 -4.372 93 HB3 PRO 14 HB3 PRO 14 8.289 0.544 -4.899 94 HG2 PRO 14 HG2 PRO 14 5.803 -1.037 -5.431 95 HG3 PRO 14 HG3 PRO 14 7.117 -0.611 -6.542 96 HD2 PRO 14 HD2 PRO 14 6.925 -3.049 -5.380 97 HD3 PRO 14 HD3 PRO 14 8.486 -2.298 -5.771 98 H LEU 15 H LEU 15 7.548 -1.128 -0.782 99 HA LEU 15 HA LEU 15 4.649 -0.634 -0.600 100 HB2 LEU 15 HB2 LEU 15 6.424 -2.651 0.663 101 HB3 LEU 15 HB3 LEU 15 5.082 -2.028 1.621 102 HG LEU 15 HG LEU 15 4.814 -4.217 0.222 103 HD11 LEU 15 HD11 LEU 15 3.058 -2.247 1.200 104 HD12 LEU 15 HD12 LEU 15 2.715 -3.946 0.877 105 HD13 LEU 15 HD13 LEU 15 2.445 -2.738 -0.379 106 HD21 LEU 15 HD21 LEU 15 4.147 -2.140 -1.859 107 HD22 LEU 15 HD22 LEU 15 3.999 -3.891 -2.011 108 HD23 LEU 15 HD23 LEU 15 5.594 -3.148 -1.883 109 H CYS 16 H CYS 16 4.109 -0.195 1.880 110 HA CYS 16 HA CYS 16 5.714 2.149 2.593 111 HB2 CYS 16 HB2 CYS 16 3.097 2.075 2.282 112 HB3 CYS 16 HB3 CYS 16 3.128 1.475 3.937 113 H PHE 17 H PHE 17 5.905 2.600 4.982 114 HA PHE 17 HA PHE 17 7.339 0.528 6.225 115 HB2 PHE 17 HB2 PHE 17 6.285 3.179 7.164 116 HB3 PHE 17 HB3 PHE 17 7.052 2.073 8.299 117 HD1 PHE 17 HD1 PHE 17 9.357 1.062 7.321 118 HD2 PHE 17 HD2 PHE 17 7.621 4.805 6.276 119 HE1 PHE 17 HE1 PHE 17 11.570 1.894 6.637 120 HE2 PHE 17 HE2 PHE 17 9.831 5.642 5.590 121 HZ PHE 17 HZ PHE 17 11.809 4.186 5.769 122 H LYS 18 H LYS 18 6.835 -0.197 8.532 123 HA LYS 18 HA LYS 18 4.369 -1.638 8.477 124 HB2 LYS 18 HB2 LYS 18 5.934 -2.905 9.552 125 HB3 LYS 18 HB3 LYS 18 6.749 -1.507 10.242 126 HG2 LYS 18 HG2 LYS 18 5.325 -1.404 12.055 127 HG3 LYS 18 HG3 LYS 18 4.041 -2.289 11.228 128 HD2 LYS 18 HD2 LYS 18 6.287 -3.997 11.333 129 HD3 LYS 18 HD3 LYS 18 6.103 -3.288 12.939 130 HE2 LYS 18 HE2 LYS 18 3.546 -3.889 12.439 131 HE3 LYS 18 HE3 LYS 18 4.321 -5.125 11.449 132 HZ1 LYS 18 HZ1 LYS 18 4.372 -6.265 13.358 133 HZ2 LYS 18 HZ2 LYS 18 4.174 -4.891 14.324 134 HZ3 LYS 18 HZ3 LYS 18 5.708 -5.299 13.738 135 HA PRO 19 HA PRO 19 3.247 1.166 12.249 136 HB2 PRO 19 HB2 PRO 19 4.848 3.306 12.727 137 HB3 PRO 19 HB3 PRO 19 5.130 1.716 13.446 138 HG2 PRO 19 HG2 PRO 19 6.434 2.977 11.065 139 HG3 PRO 19 HG3 PRO 19 7.171 2.048 12.383 140 HD2 PRO 19 HD2 PRO 19 6.640 0.966 9.959 141 HD3 PRO 19 HD3 PRO 19 6.570 0.023 11.461 142 H ILE 20 H ILE 20 4.972 3.159 9.840 143 HA ILE 20 HA ILE 20 3.300 5.335 9.753 144 HB ILE 20 HB ILE 20 4.600 4.087 7.330 145 HG12 ILE 20 HG12 ILE 20 6.270 4.338 9.058 146 HG13 ILE 20 HG13 ILE 20 6.502 5.614 7.867 147 HG21 ILE 20 HG21 ILE 20 3.627 6.867 7.945 148 HG22 ILE 20 HG22 ILE 20 4.721 6.500 6.612 149 HG23 ILE 20 HG23 ILE 20 3.106 5.794 6.646 150 HD11 ILE 20 HD11 ILE 20 6.751 6.717 9.878 151 HD12 ILE 20 HD12 ILE 20 5.067 7.041 9.466 152 HD13 ILE 20 HD13 ILE 20 5.460 5.802 10.658 153 H CYS 21 H CYS 21 2.992 2.320 7.896 154 HA CYS 21 HA CYS 21 0.180 3.036 7.380 155 HB2 CYS 21 HB2 CYS 21 1.973 1.436 5.543 156 HB3 CYS 21 HB3 CYS 21 0.310 1.922 5.228 157 H ILE 22 H ILE 22 -0.846 1.842 8.891 158 HA ILE 22 HA ILE 22 -0.108 -0.977 9.210 159 HB ILE 22 HB ILE 22 -2.007 0.680 10.875 160 HG12 ILE 22 HG12 ILE 22 0.857 -0.140 11.411 161 HG13 ILE 22 HG13 ILE 22 0.306 1.491 11.041 162 HG21 ILE 22 HG21 ILE 22 -2.411 -1.776 10.853 163 HG22 ILE 22 HG22 ILE 22 -0.779 -2.004 11.478 164 HG23 ILE 22 HG23 ILE 22 -1.978 -1.137 12.438 165 HD11 ILE 22 HD11 ILE 22 0.634 1.390 13.372 166 HD12 ILE 22 HD12 ILE 22 -1.111 1.353 13.114 167 HD13 ILE 22 HD13 ILE 22 -0.244 -0.133 13.504 168 HA PRO 23 HA PRO 23 -3.559 -2.209 6.732 169 HB2 PRO 23 HB2 PRO 23 -3.555 -4.836 7.416 170 HB3 PRO 23 HB3 PRO 23 -2.366 -4.128 6.316 171 HG2 PRO 23 HG2 PRO 23 -2.110 -4.756 9.232 172 HG3 PRO 23 HG3 PRO 23 -0.946 -5.029 7.922 173 HD2 PRO 23 HD2 PRO 23 -0.754 -2.936 9.630 174 HD3 PRO 23 HD3 PRO 23 -0.225 -2.840 7.938 175 H THR 24 H THR 24 -3.388 -3.504 10.051 176 HA THR 24 HA THR 24 -6.188 -3.937 10.270 177 HB THR 24 HB THR 24 -5.756 -4.221 12.693 178 HG1 THR 24 HG1 THR 24 -3.562 -4.032 13.394 179 HG21 THR 24 HG21 THR 24 -3.515 -5.663 11.366 180 HG22 THR 24 HG22 THR 24 -5.150 -5.928 10.760 181 HG23 THR 24 HG23 THR 24 -4.768 -6.273 12.447 182 H LEU 25 H LEU 25 -4.239 -1.148 10.521 183 HA LEU 25 HA LEU 25 -4.694 1.026 11.008 184 HB2 LEU 25 HB2 LEU 25 -7.252 -0.142 10.270 185 HB3 LEU 25 HB3 LEU 25 -7.426 1.217 11.378 186 HG LEU 25 HG LEU 25 -5.687 2.215 9.514 187 HD11 LEU 25 HD11 LEU 25 -5.747 0.663 7.848 188 HD12 LEU 25 HD12 LEU 25 -7.141 1.638 7.385 189 HD13 LEU 25 HD13 LEU 25 -7.376 0.122 8.254 190 HD21 LEU 25 HD21 LEU 25 -8.604 2.476 9.005 191 HD22 LEU 25 HD22 LEU 25 -7.354 3.717 9.092 192 HD23 LEU 25 HD23 LEU 25 -7.980 2.990 10.572 193 HA PRO 26 HA PRO 26 -5.024 1.432 15.364 194 HB2 PRO 26 HB2 PRO 26 -5.973 3.960 15.649 195 HB3 PRO 26 HB3 PRO 26 -4.323 3.607 15.121 196 HG2 PRO 26 HG2 PRO 26 -6.720 4.335 13.483 197 HG3 PRO 26 HG3 PRO 26 -5.049 4.909 13.337 198 HD2 PRO 26 HD2 PRO 26 -6.077 2.992 11.724 199 HD3 PRO 26 HD3 PRO 26 -4.368 3.023 12.200 200 HA PRO 27 HA PRO 27 -9.063 0.618 16.900 201 HB2 PRO 27 HB2 PRO 27 -9.027 1.800 19.344 202 HB3 PRO 27 HB3 PRO 27 -8.122 0.327 18.976 203 HG2 PRO 27 HG2 PRO 27 -7.165 3.162 19.084 204 HG3 PRO 27 HG3 PRO 27 -6.390 1.695 19.711 205 HD2 PRO 27 HD2 PRO 27 -5.655 2.845 17.372 206 HD3 PRO 27 HD3 PRO 27 -5.570 1.092 17.642 207 H LEU 28 H LEU 28 -10.909 1.835 18.242 208 HA LEU 28 HA LEU 28 -11.353 4.407 16.875 209 HB2 LEU 28 HB2 LEU 28 -13.212 2.163 17.568 210 HB3 LEU 28 HB3 LEU 28 -13.825 3.796 17.321 211 HG LEU 28 HG LEU 28 -12.300 2.193 15.268 212 HD11 LEU 28 HD11 LEU 28 -14.760 2.490 14.237 213 HD12 LEU 28 HD12 LEU 28 -15.164 2.371 15.949 214 HD13 LEU 28 HD13 LEU 28 -14.258 1.077 15.165 215 HD21 LEU 28 HD21 LEU 28 -12.740 4.946 15.471 216 HD22 LEU 28 HD22 LEU 28 -13.908 4.367 14.283 217 HD23 LEU 28 HD23 LEU 28 -12.188 4.050 14.055 218 H THR 29 H THR 29 -12.060 2.582 19.838 219 HA THR 29 HA THR 29 -12.524 3.243 21.969 220 HB THR 29 HB THR 29 -11.052 5.808 21.462 221 HG1 THR 29 HG1 THR 29 -9.649 3.429 22.023 222 HG21 THR 29 HG21 THR 29 -11.382 3.901 23.760 223 HG22 THR 29 HG22 THR 29 -11.756 5.623 23.691 224 HG23 THR 29 HG23 THR 29 -10.077 5.086 23.725 225 H GLY 30 H GLY 30 -14.554 3.832 20.157 226 HA2 GLY 30 HA2 GLY 30 -16.183 5.556 21.592 227 HA3 GLY 30 HA3 GLY 30 -15.443 6.526 20.327 228 H GLY 31 H GLY 31 -15.346 4.519 18.315 229 HA2 GLY 31 HA2 GLY 31 -18.160 4.570 17.537 230 HA3 GLY 31 HA3 GLY 31 -16.795 4.233 16.483 231 H HIS 32 H HIS 32 -15.604 2.245 18.204 232 HA HIS 32 HA HIS 32 -17.528 0.064 17.749 233 HB2 HIS 32 HB2 HIS 32 -15.451 -0.046 16.407 234 HB3 HIS 32 HB3 HIS 32 -14.509 -0.077 17.894 235 HD1 HIS 32 HD1 HIS 32 -17.657 -2.081 17.587 236 HD2 HIS 32 HD2 HIS 32 -13.545 -2.650 17.405 237 HE1 HIS 32 HE1 HIS 32 -17.320 -4.573 17.627 238 H ALA 33 H ALA 33 -18.485 0.536 19.843 239 HA ALA 33 HA ALA 33 -16.829 -0.196 22.150 240 HB1 ALA 33 HB1 ALA 33 -19.645 0.835 22.284 241 HB2 ALA 33 HB2 ALA 33 -18.389 0.884 23.523 242 HB3 ALA 33 HB3 ALA 33 -18.263 1.916 22.099 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 2.042 0.748 -0.282 2 HA2 GLY 1 HA2 GLY 1 3.060 -0.383 -2.111 3 HA3 GLY 1 HA3 GLY 1 1.514 -0.364 -2.946 4 H VAL 2 H VAL 2 3.766 2.034 -1.562 5 HA VAL 2 HA VAL 2 4.034 3.312 -4.148 6 HB VAL 2 HB VAL 2 3.451 5.577 -3.126 7 HG11 VAL 2 HG11 VAL 2 2.052 3.984 -4.704 8 HG12 VAL 2 HG12 VAL 2 0.975 3.942 -3.306 9 HG13 VAL 2 HG13 VAL 2 1.374 5.482 -4.069 10 HG21 VAL 2 HG21 VAL 2 2.160 3.749 -1.110 11 HG22 VAL 2 HG22 VAL 2 3.335 5.030 -0.811 12 HG23 VAL 2 HG23 VAL 2 1.700 5.437 -1.330 13 H LEU 3 H LEU 3 4.651 3.610 -0.660 14 HA LEU 3 HA LEU 3 7.406 3.489 -0.798 15 HB2 LEU 3 HB2 LEU 3 7.669 5.448 -1.978 16 HB3 LEU 3 HB3 LEU 3 6.284 6.219 -1.210 17 HG LEU 3 HG LEU 3 7.601 6.518 0.841 18 HD11 LEU 3 HD11 LEU 3 9.261 4.576 -0.307 19 HD12 LEU 3 HD12 LEU 3 9.496 5.430 1.217 20 HD13 LEU 3 HD13 LEU 3 10.209 6.063 -0.267 21 HD21 LEU 3 HD21 LEU 3 9.406 7.663 -1.184 22 HD22 LEU 3 HD22 LEU 3 8.492 8.451 0.103 23 HD23 LEU 3 HD23 LEU 3 7.691 8.010 -1.406 24 H GLY 4 H GLY 4 8.240 3.316 1.220 25 HA2 GLY 4 HA2 GLY 4 7.369 4.703 3.496 26 HA3 GLY 4 HA3 GLY 4 6.509 3.172 3.432 27 H ASN 5 H ASN 5 7.440 1.493 4.393 28 HA ASN 5 HA ASN 5 10.339 1.265 4.469 29 HB2 ASN 5 HB2 ASN 5 10.048 2.489 6.483 30 HB3 ASN 5 HB3 ASN 5 8.624 1.555 6.933 31 HD21 ASN 5 HD21 ASN 5 9.307 0.779 8.851 32 HD22 ASN 5 HD22 ASN 5 10.657 -0.283 9.044 33 H ASP 6 H ASP 6 7.758 -0.243 6.390 34 HA ASP 6 HA ASP 6 8.729 -2.868 5.859 35 HB2 ASP 6 HB2 ASP 6 7.629 -2.479 7.950 36 HB3 ASP 6 HB3 ASP 6 6.190 -1.859 7.145 37 H ALA 7 H ALA 7 5.359 -1.910 5.365 38 HA ALA 7 HA ALA 7 5.267 -2.172 2.583 39 HB1 ALA 7 HB1 ALA 7 5.603 -4.386 2.393 40 HB2 ALA 7 HB2 ALA 7 5.178 -4.702 4.076 41 HB3 ALA 7 HB3 ALA 7 3.908 -4.494 2.870 42 H GLU 8 H GLU 8 3.024 -2.349 1.755 43 HA GLU 8 HA GLU 8 1.145 -1.230 3.718 44 HB2 GLU 8 HB2 GLU 8 0.171 0.020 2.028 45 HB3 GLU 8 HB3 GLU 8 1.860 0.008 1.541 46 HG2 GLU 8 HG2 GLU 8 1.440 -1.699 -0.087 47 HG3 GLU 8 HG3 GLU 8 -0.219 -1.886 0.476 48 H GLY 9 H GLY 9 1.719 -3.905 1.635 49 HA2 GLY 9 HA2 GLY 9 0.149 -5.784 2.562 50 HA3 GLY 9 HA3 GLY 9 -1.073 -4.785 1.789 51 H ILE 10 H ILE 10 0.775 -4.030 -0.393 52 HA ILE 10 HA ILE 10 0.103 -6.104 -2.201 53 HB ILE 10 HB ILE 10 2.201 -4.017 -2.740 54 HG12 ILE 10 HG12 ILE 10 0.415 -2.752 -1.792 55 HG13 ILE 10 HG13 ILE 10 0.266 -2.591 -3.538 56 HG21 ILE 10 HG21 ILE 10 0.640 -4.238 -4.955 57 HG22 ILE 10 HG22 ILE 10 2.134 -5.135 -4.683 58 HG23 ILE 10 HG23 ILE 10 0.578 -5.881 -4.316 59 HD11 ILE 10 HD11 ILE 10 -1.291 -4.792 -2.941 60 HD12 ILE 10 HD12 ILE 10 -1.594 -3.674 -1.611 61 HD13 ILE 10 HD13 ILE 10 -1.859 -3.157 -3.276 62 H THR 11 H THR 11 1.595 -7.347 -3.518 63 HA THR 11 HA THR 11 3.330 -8.937 -2.070 64 HB THR 11 HB THR 11 3.658 -8.430 -5.025 65 HG1 THR 11 HG1 THR 11 1.584 -9.660 -3.603 66 HG21 THR 11 HG21 THR 11 3.859 -11.126 -4.542 67 HG22 THR 11 HG22 THR 11 4.612 -10.422 -3.111 68 HG23 THR 11 HG23 THR 11 5.217 -10.014 -4.716 69 H LEU 12 H LEU 12 3.921 -5.878 -3.617 70 HA LEU 12 HA LEU 12 6.723 -5.979 -3.789 71 HB2 LEU 12 HB2 LEU 12 4.806 -3.684 -3.471 72 HB3 LEU 12 HB3 LEU 12 6.542 -3.457 -3.674 73 HG LEU 12 HG LEU 12 4.773 -4.854 -5.678 74 HD11 LEU 12 HD11 LEU 12 4.598 -2.882 -6.893 75 HD12 LEU 12 HD12 LEU 12 5.901 -2.098 -6.001 76 HD13 LEU 12 HD13 LEU 12 4.335 -2.357 -5.230 77 HD21 LEU 12 HD21 LEU 12 7.170 -5.464 -5.697 78 HD22 LEU 12 HD22 LEU 12 7.574 -3.763 -5.930 79 HD23 LEU 12 HD23 LEU 12 6.658 -4.629 -7.164 80 H LEU 13 H LEU 13 8.347 -5.415 -2.392 81 HA LEU 13 HA LEU 13 7.726 -5.586 0.418 82 HB2 LEU 13 HB2 LEU 13 9.660 -6.712 0.069 83 HB3 LEU 13 HB3 LEU 13 10.153 -5.669 -1.264 84 HG LEU 13 HG LEU 13 10.889 -3.970 0.332 85 HD11 LEU 13 HD11 LEU 13 9.675 -5.861 2.284 86 HD12 LEU 13 HD12 LEU 13 9.618 -4.099 2.230 87 HD13 LEU 13 HD13 LEU 13 11.083 -4.917 2.772 88 HD21 LEU 13 HD21 LEU 13 12.193 -6.226 -0.343 89 HD22 LEU 13 HD22 LEU 13 12.207 -6.376 1.415 90 HD23 LEU 13 HD23 LEU 13 12.899 -4.947 0.645 91 HA PRO 14 HA PRO 14 9.643 -1.148 0.402 92 HB2 PRO 14 HB2 PRO 14 10.033 0.026 -2.014 93 HB3 PRO 14 HB3 PRO 14 11.261 -0.965 -1.219 94 HG2 PRO 14 HG2 PRO 14 9.348 -1.708 -3.398 95 HG3 PRO 14 HG3 PRO 14 11.070 -2.101 -3.239 96 HD2 PRO 14 HD2 PRO 14 9.110 -3.864 -2.621 97 HD3 PRO 14 HD3 PRO 14 10.668 -3.832 -1.771 98 H LEU 15 H LEU 15 7.379 -1.025 1.094 99 HA LEU 15 HA LEU 15 5.849 0.764 -0.660 100 HB2 LEU 15 HB2 LEU 15 4.514 -1.350 1.001 101 HB3 LEU 15 HB3 LEU 15 3.816 -0.358 -0.277 102 HG LEU 15 HG LEU 15 5.751 -2.647 -0.614 103 HD11 LEU 15 HD11 LEU 15 2.909 -2.337 -1.564 104 HD12 LEU 15 HD12 LEU 15 3.385 -3.224 -0.117 105 HD13 LEU 15 HD13 LEU 15 3.935 -3.766 -1.702 106 HD21 LEU 15 HD21 LEU 15 5.346 -0.378 -2.269 107 HD22 LEU 15 HD22 LEU 15 4.623 -1.774 -3.069 108 HD23 LEU 15 HD23 LEU 15 6.320 -1.814 -2.588 109 H CYS 16 H CYS 16 3.671 1.168 0.991 110 HA CYS 16 HA CYS 16 4.399 3.202 2.639 111 HB2 CYS 16 HB2 CYS 16 2.044 2.358 1.982 112 HB3 CYS 16 HB3 CYS 16 2.147 1.375 3.439 113 H PHE 17 H PHE 17 4.557 3.437 4.950 114 HA PHE 17 HA PHE 17 6.371 1.634 6.126 115 HB2 PHE 17 HB2 PHE 17 4.677 3.652 7.602 116 HB3 PHE 17 HB3 PHE 17 6.244 3.012 8.084 117 HD1 PHE 17 HD1 PHE 17 4.492 5.465 6.087 118 HD2 PHE 17 HD2 PHE 17 8.283 3.692 6.866 119 HE1 PHE 17 HE1 PHE 17 5.601 7.347 4.954 120 HE2 PHE 17 HE2 PHE 17 9.398 5.572 5.736 121 HZ PHE 17 HZ PHE 17 8.057 7.403 4.779 122 H LYS 18 H LYS 18 5.997 0.646 8.336 123 HA LYS 18 HA LYS 18 3.937 -1.286 8.141 124 HB2 LYS 18 HB2 LYS 18 5.678 -2.157 9.332 125 HB3 LYS 18 HB3 LYS 18 6.077 -0.616 10.080 126 HG2 LYS 18 HG2 LYS 18 4.399 -0.860 11.717 127 HG3 LYS 18 HG3 LYS 18 3.642 -2.197 10.848 128 HD2 LYS 18 HD2 LYS 18 5.791 -3.478 11.202 129 HD3 LYS 18 HD3 LYS 18 6.279 -2.188 12.304 130 HE2 LYS 18 HE2 LYS 18 5.334 -3.872 13.660 131 HE3 LYS 18 HE3 LYS 18 4.109 -2.610 13.538 132 HZ1 LYS 18 HZ1 LYS 18 3.792 -5.280 12.963 133 HZ2 LYS 18 HZ2 LYS 18 3.822 -4.518 11.453 134 HZ3 LYS 18 HZ3 LYS 18 2.699 -4.034 12.622 135 HA PRO 19 HA PRO 19 1.881 1.071 11.824 136 HB2 PRO 19 HB2 PRO 19 2.869 3.524 12.438 137 HB3 PRO 19 HB3 PRO 19 3.476 2.034 13.169 138 HG2 PRO 19 HG2 PRO 19 4.609 3.631 10.904 139 HG3 PRO 19 HG3 PRO 19 5.449 2.879 12.273 140 HD2 PRO 19 HD2 PRO 19 5.383 1.758 9.809 141 HD3 PRO 19 HD3 PRO 19 5.432 0.791 11.297 142 H ILE 20 H ILE 20 3.241 3.444 9.530 143 HA ILE 20 HA ILE 20 1.005 5.094 9.339 144 HB ILE 20 HB ILE 20 2.955 4.509 7.111 145 HG12 ILE 20 HG12 ILE 20 4.193 5.086 9.115 146 HG13 ILE 20 HG13 ILE 20 4.221 6.453 8.005 147 HG21 ILE 20 HG21 ILE 20 1.201 6.891 7.692 148 HG22 ILE 20 HG22 ILE 20 2.426 6.823 6.425 149 HG23 ILE 20 HG23 ILE 20 1.028 5.750 6.358 150 HD11 ILE 20 HD11 ILE 20 2.242 7.344 9.355 151 HD12 ILE 20 HD12 ILE 20 2.705 6.146 10.565 152 HD13 ILE 20 HD13 ILE 20 3.845 7.406 10.089 153 H CYS 21 H CYS 21 1.577 1.958 8.027 154 HA CYS 21 HA CYS 21 -1.081 1.992 6.817 155 HB2 CYS 21 HB2 CYS 21 1.473 1.318 5.369 156 HB3 CYS 21 HB3 CYS 21 -0.082 0.681 4.844 157 H ILE 22 H ILE 22 -1.771 0.654 8.488 158 HA ILE 22 HA ILE 22 -0.489 -1.980 8.694 159 HB ILE 22 HB ILE 22 -2.521 -0.716 10.537 160 HG12 ILE 22 HG12 ILE 22 0.458 -1.105 10.900 161 HG13 ILE 22 HG13 ILE 22 -0.330 0.432 10.563 162 HG21 ILE 22 HG21 ILE 22 -0.864 -3.207 10.905 163 HG22 ILE 22 HG22 ILE 22 -2.043 -2.549 12.038 164 HG23 ILE 22 HG23 ILE 22 -2.575 -3.181 10.479 165 HD11 ILE 22 HD11 ILE 22 -1.607 0.131 12.695 166 HD12 ILE 22 HD12 ILE 22 -0.564 -1.249 13.039 167 HD13 ILE 22 HD13 ILE 22 0.132 0.363 12.880 168 HA PRO 23 HA PRO 23 -3.829 -3.753 6.400 169 HB2 PRO 23 HB2 PRO 23 -3.317 -6.352 6.995 170 HB3 PRO 23 HB3 PRO 23 -2.348 -5.420 5.847 171 HG2 PRO 23 HG2 PRO 23 -1.790 -6.057 8.718 172 HG3 PRO 23 HG3 PRO 23 -0.687 -6.090 7.330 173 HD2 PRO 23 HD2 PRO 23 -0.752 -4.034 9.091 174 HD3 PRO 23 HD3 PRO 23 -0.363 -3.808 7.374 175 H THR 24 H THR 24 -3.211 -5.085 9.652 176 HA THR 24 HA THR 24 -5.897 -5.968 10.019 177 HB THR 24 HB THR 24 -4.020 -5.435 12.302 178 HG1 THR 24 HG1 THR 24 -3.932 -7.790 10.714 179 HG21 THR 24 HG21 THR 24 -5.617 -6.532 13.403 180 HG22 THR 24 HG22 THR 24 -5.248 -7.963 12.440 181 HG23 THR 24 HG23 THR 24 -6.494 -6.836 11.904 182 H LEU 25 H LEU 25 -4.479 -2.923 10.132 183 HA LEU 25 HA LEU 25 -5.214 -0.871 10.776 184 HB2 LEU 25 HB2 LEU 25 -7.668 -2.488 10.557 185 HB3 LEU 25 HB3 LEU 25 -7.809 -1.012 11.511 186 HG LEU 25 HG LEU 25 -6.497 -0.344 9.087 187 HD11 LEU 25 HD11 LEU 25 -7.834 -2.600 8.544 188 HD12 LEU 25 HD12 LEU 25 -7.657 -1.279 7.390 189 HD13 LEU 25 HD13 LEU 25 -9.137 -1.431 8.336 190 HD21 LEU 25 HD21 LEU 25 -8.984 0.318 10.543 191 HD22 LEU 25 HD22 LEU 25 -8.934 0.730 8.829 192 HD23 LEU 25 HD23 LEU 25 -7.712 1.373 9.927 193 HA PRO 26 HA PRO 26 -4.924 -0.568 15.143 194 HB2 PRO 26 HB2 PRO 26 -6.248 1.744 15.663 195 HB3 PRO 26 HB3 PRO 26 -4.666 1.699 14.877 196 HG2 PRO 26 HG2 PRO 26 -7.382 1.996 13.653 197 HG3 PRO 26 HG3 PRO 26 -5.883 2.865 13.274 198 HD2 PRO 26 HD2 PRO 26 -6.796 0.808 11.767 199 HD3 PRO 26 HD3 PRO 26 -5.065 1.143 11.977 200 HA PRO 27 HA PRO 27 -8.461 -2.114 17.247 201 HB2 PRO 27 HB2 PRO 27 -8.251 -0.968 19.700 202 HB3 PRO 27 HB3 PRO 27 -7.169 -2.250 19.142 203 HG2 PRO 27 HG2 PRO 27 -6.723 0.710 19.209 204 HG3 PRO 27 HG3 PRO 27 -5.613 -0.599 19.654 205 HD2 PRO 27 HD2 PRO 27 -5.470 0.687 17.276 206 HD3 PRO 27 HD3 PRO 27 -5.036 -1.024 17.463 207 H LEU 28 H LEU 28 -10.428 -1.466 18.539 208 HA LEU 28 HA LEU 28 -11.474 1.057 17.467 209 HB2 LEU 28 HB2 LEU 28 -12.687 -1.547 18.240 210 HB3 LEU 28 HB3 LEU 28 -13.674 -0.093 18.373 211 HG LEU 28 HG LEU 28 -13.474 0.324 16.013 212 HD11 LEU 28 HD11 LEU 28 -11.188 -0.402 15.670 213 HD12 LEU 28 HD12 LEU 28 -12.263 -1.219 14.537 214 HD13 LEU 28 HD13 LEU 28 -11.654 -2.079 15.951 215 HD21 LEU 28 HD21 LEU 28 -14.273 -2.089 15.222 216 HD22 LEU 28 HD22 LEU 28 -15.288 -1.030 16.202 217 HD23 LEU 28 HD23 LEU 28 -14.377 -2.333 16.966 218 H THR 29 H THR 29 -9.789 0.637 19.943 219 HA THR 29 HA THR 29 -11.565 1.292 22.126 220 HB THR 29 HB THR 29 -8.552 1.456 22.146 221 HG1 THR 29 HG1 THR 29 -8.790 -0.631 21.672 222 HG21 THR 29 HG21 THR 29 -8.865 0.960 24.552 223 HG22 THR 29 HG22 THR 29 -10.611 1.034 24.315 224 HG23 THR 29 HG23 THR 29 -9.625 2.474 24.065 225 H GLY 30 H GLY 30 -9.655 2.987 19.790 226 HA2 GLY 30 HA2 GLY 30 -10.100 5.511 21.256 227 HA3 GLY 30 HA3 GLY 30 -8.802 5.251 20.101 228 H GLY 31 H GLY 31 -10.816 3.769 18.360 229 HA2 GLY 31 HA2 GLY 31 -11.413 5.878 16.615 230 HA3 GLY 31 HA3 GLY 31 -12.132 4.275 16.550 231 H HIS 32 H HIS 32 -13.177 4.634 19.338 232 HA HIS 32 HA HIS 32 -15.375 6.493 18.705 233 HB2 HIS 32 HB2 HIS 32 -15.846 3.938 18.671 234 HB3 HIS 32 HB3 HIS 32 -15.759 4.060 20.425 235 HD1 HIS 32 HD1 HIS 32 -17.892 4.971 17.507 236 HD2 HIS 32 HD2 HIS 32 -17.897 5.427 21.637 237 HE1 HIS 32 HE1 HIS 32 -20.211 5.745 18.095 238 H ALA 33 H ALA 33 -15.411 8.164 20.042 239 HA ALA 33 HA ALA 33 -14.195 7.909 22.695 240 HB1 ALA 33 HB1 ALA 33 -14.319 9.999 20.731 241 HB2 ALA 33 HB2 ALA 33 -14.956 10.572 22.273 242 HB3 ALA 33 HB3 ALA 33 -13.332 9.890 22.188 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 1.749 0.209 0.906 2 HA2 GLY 1 HA2 GLY 1 3.020 -0.127 -1.001 3 HA3 GLY 1 HA3 GLY 1 1.533 -0.356 -1.910 4 H VAL 2 H VAL 2 3.529 2.150 -0.383 5 HA VAL 2 HA VAL 2 3.160 3.848 -2.703 6 HB VAL 2 HB VAL 2 2.552 5.822 -1.227 7 HG11 VAL 2 HG11 VAL 2 1.020 4.257 -2.722 8 HG12 VAL 2 HG12 VAL 2 0.281 3.913 -1.158 9 HG13 VAL 2 HG13 VAL 2 0.350 5.571 -1.755 10 HG21 VAL 2 HG21 VAL 2 1.269 5.200 0.837 11 HG22 VAL 2 HG22 VAL 2 1.933 3.574 0.682 12 HG23 VAL 2 HG23 VAL 2 3.010 4.946 0.943 13 H LEU 3 H LEU 3 4.455 3.582 0.589 14 HA LEU 3 HA LEU 3 7.115 3.976 -0.143 15 HB2 LEU 3 HB2 LEU 3 6.741 6.200 -0.713 16 HB3 LEU 3 HB3 LEU 3 5.609 6.448 0.614 17 HG LEU 3 HG LEU 3 7.490 6.389 2.202 18 HD11 LEU 3 HD11 LEU 3 9.568 5.793 1.655 19 HD12 LEU 3 HD12 LEU 3 9.555 6.764 0.183 20 HD13 LEU 3 HD13 LEU 3 8.860 5.143 0.176 21 HD21 LEU 3 HD21 LEU 3 7.374 8.589 1.931 22 HD22 LEU 3 HD22 LEU 3 6.945 8.406 0.230 23 HD23 LEU 3 HD23 LEU 3 8.642 8.461 0.711 24 H GLY 4 H GLY 4 8.453 3.488 1.534 25 HA2 GLY 4 HA2 GLY 4 8.516 3.968 4.118 26 HA3 GLY 4 HA3 GLY 4 7.143 2.872 4.078 27 H ASN 5 H ASN 5 7.914 1.092 5.063 28 HA ASN 5 HA ASN 5 10.206 -0.234 3.790 29 HB2 ASN 5 HB2 ASN 5 11.063 0.720 5.842 30 HB3 ASN 5 HB3 ASN 5 9.719 0.048 6.762 31 HD21 ASN 5 HD21 ASN 5 10.731 -1.306 8.105 32 HD22 ASN 5 HD22 ASN 5 11.729 -2.627 7.609 33 H ASP 6 H ASP 6 7.659 -0.771 6.231 34 HA ASP 6 HA ASP 6 7.477 -3.536 5.934 35 HB2 ASP 6 HB2 ASP 6 6.342 -1.816 7.621 36 HB3 ASP 6 HB3 ASP 6 4.989 -1.996 6.507 37 H ALA 7 H ALA 7 5.155 -4.471 5.241 38 HA ALA 7 HA ALA 7 4.747 -3.596 2.455 39 HB1 ALA 7 HB1 ALA 7 3.836 -6.132 2.423 40 HB2 ALA 7 HB2 ALA 7 5.498 -5.680 2.041 41 HB3 ALA 7 HB3 ALA 7 5.092 -6.264 3.655 42 H GLU 8 H GLU 8 2.779 -2.912 1.917 43 HA GLU 8 HA GLU 8 0.647 -3.055 3.879 44 HB2 GLU 8 HB2 GLU 8 -0.358 -1.314 2.747 45 HB3 GLU 8 HB3 GLU 8 1.335 -1.024 2.373 46 HG2 GLU 8 HG2 GLU 8 1.048 -2.137 0.216 47 HG3 GLU 8 HG3 GLU 8 -0.652 -2.413 0.590 48 H GLY 9 H GLY 9 1.711 -5.205 1.755 49 HA2 GLY 9 HA2 GLY 9 0.209 -7.191 1.583 50 HA3 GLY 9 HA3 GLY 9 -1.005 -6.074 0.976 51 H ILE 10 H ILE 10 2.255 -5.557 0.000 52 HA ILE 10 HA ILE 10 1.698 -6.836 -2.594 53 HB ILE 10 HB ILE 10 3.338 -4.336 -2.434 54 HG12 ILE 10 HG12 ILE 10 1.245 -3.739 -1.343 55 HG13 ILE 10 HG13 ILE 10 1.303 -3.022 -2.950 56 HG21 ILE 10 HG21 ILE 10 1.823 -4.385 -4.754 57 HG22 ILE 10 HG22 ILE 10 3.519 -4.838 -4.595 58 HG23 ILE 10 HG23 ILE 10 2.263 -6.071 -4.486 59 HD11 ILE 10 HD11 ILE 10 -0.647 -4.772 -1.817 60 HD12 ILE 10 HD12 ILE 10 -0.671 -3.921 -3.362 61 HD13 ILE 10 HD13 ILE 10 0.065 -5.520 -3.247 62 H THR 11 H THR 11 3.661 -7.283 -3.875 63 HA THR 11 HA THR 11 5.744 -8.347 -2.143 64 HB THR 11 HB THR 11 5.448 -8.676 -5.133 65 HG1 THR 11 HG1 THR 11 4.386 -10.129 -2.945 66 HG21 THR 11 HG21 THR 11 7.678 -9.192 -4.432 67 HG22 THR 11 HG22 THR 11 6.835 -10.720 -4.690 68 HG23 THR 11 HG23 THR 11 7.089 -10.118 -3.053 69 H LEU 12 H LEU 12 5.228 -5.723 -4.307 70 HA LEU 12 HA LEU 12 7.741 -5.169 -5.291 71 HB2 LEU 12 HB2 LEU 12 5.790 -3.130 -4.235 72 HB3 LEU 12 HB3 LEU 12 7.061 -2.856 -5.425 73 HG LEU 12 HG LEU 12 4.935 -4.852 -6.042 74 HD11 LEU 12 HD11 LEU 12 4.086 -2.476 -5.145 75 HD12 LEU 12 HD12 LEU 12 3.280 -3.367 -6.436 76 HD13 LEU 12 HD13 LEU 12 4.395 -2.058 -6.830 77 HD21 LEU 12 HD21 LEU 12 5.304 -3.796 -8.318 78 HD22 LEU 12 HD22 LEU 12 6.658 -4.703 -7.644 79 HD23 LEU 12 HD23 LEU 12 6.664 -2.940 -7.590 80 H LEU 13 H LEU 13 9.309 -3.521 -4.589 81 HA LEU 13 HA LEU 13 10.171 -4.030 -1.915 82 HB2 LEU 13 HB2 LEU 13 11.992 -3.739 -3.232 83 HB3 LEU 13 HB3 LEU 13 11.189 -2.561 -4.268 84 HG LEU 13 HG LEU 13 11.547 -0.827 -2.584 85 HD11 LEU 13 HD11 LEU 13 12.626 -3.128 -1.016 86 HD12 LEU 13 HD12 LEU 13 11.541 -1.834 -0.510 87 HD13 LEU 13 HD13 LEU 13 13.256 -1.503 -0.748 88 HD21 LEU 13 HD21 LEU 13 14.004 -0.694 -2.764 89 HD22 LEU 13 HD22 LEU 13 13.231 -1.110 -4.295 90 HD23 LEU 13 HD23 LEU 13 14.031 -2.361 -3.342 91 HA PRO 14 HA PRO 14 9.207 0.654 -1.238 92 HB2 PRO 14 HB2 PRO 14 7.827 1.940 -3.191 93 HB3 PRO 14 HB3 PRO 14 9.592 1.850 -3.161 94 HG2 PRO 14 HG2 PRO 14 7.638 0.211 -4.729 95 HG3 PRO 14 HG3 PRO 14 9.174 0.925 -5.253 96 HD2 PRO 14 HD2 PRO 14 8.934 -1.689 -4.590 97 HD3 PRO 14 HD3 PRO 14 10.426 -0.767 -4.315 98 H LEU 15 H LEU 15 7.777 -0.275 0.266 99 HA LEU 15 HA LEU 15 4.939 -0.160 -0.517 100 HB2 LEU 15 HB2 LEU 15 6.449 -2.195 1.029 101 HB3 LEU 15 HB3 LEU 15 4.801 -1.835 1.539 102 HG LEU 15 HG LEU 15 5.137 -3.815 -0.024 103 HD11 LEU 15 HD11 LEU 15 3.230 -2.343 -1.533 104 HD12 LEU 15 HD12 LEU 15 3.096 -1.864 0.158 105 HD13 LEU 15 HD13 LEU 15 2.954 -3.564 -0.290 106 HD21 LEU 15 HD21 LEU 15 5.616 -3.502 -2.258 107 HD22 LEU 15 HD22 LEU 15 6.697 -2.336 -1.495 108 HD23 LEU 15 HD23 LEU 15 5.184 -1.793 -2.222 109 H CYS 16 H CYS 16 3.520 -0.014 1.552 110 HA CYS 16 HA CYS 16 4.204 2.420 2.854 111 HB2 CYS 16 HB2 CYS 16 1.865 1.576 2.286 112 HB3 CYS 16 HB3 CYS 16 2.009 0.529 3.694 113 H PHE 17 H PHE 17 4.364 2.755 5.162 114 HA PHE 17 HA PHE 17 6.234 1.006 6.378 115 HB2 PHE 17 HB2 PHE 17 4.798 3.491 7.195 116 HB3 PHE 17 HB3 PHE 17 5.562 2.522 8.451 117 HD1 PHE 17 HD1 PHE 17 6.049 5.299 6.581 118 HD2 PHE 17 HD2 PHE 17 8.032 1.652 7.517 119 HE1 PHE 17 HE1 PHE 17 8.213 6.348 6.064 120 HE2 PHE 17 HE2 PHE 17 10.200 2.695 7.003 121 HZ PHE 17 HZ PHE 17 10.293 5.046 6.276 122 H LYS 18 H LYS 18 5.887 0.240 8.704 123 HA LYS 18 HA LYS 18 3.803 -1.682 8.700 124 HB2 LYS 18 HB2 LYS 18 5.559 -2.473 9.926 125 HB3 LYS 18 HB3 LYS 18 5.985 -0.882 10.543 126 HG2 LYS 18 HG2 LYS 18 4.333 -0.978 12.220 127 HG3 LYS 18 HG3 LYS 18 3.546 -2.369 11.470 128 HD2 LYS 18 HD2 LYS 18 5.596 -3.700 11.923 129 HD3 LYS 18 HD3 LYS 18 6.260 -2.313 12.788 130 HE2 LYS 18 HE2 LYS 18 3.755 -3.841 13.485 131 HE3 LYS 18 HE3 LYS 18 5.288 -3.885 14.355 132 HZ1 LYS 18 HZ1 LYS 18 4.827 -1.299 14.439 133 HZ2 LYS 18 HZ2 LYS 18 4.204 -2.357 15.601 134 HZ3 LYS 18 HZ3 LYS 18 3.222 -1.823 14.331 135 HA PRO 19 HA PRO 19 1.844 0.994 12.212 136 HB2 PRO 19 HB2 PRO 19 2.884 3.468 12.622 137 HB3 PRO 19 HB3 PRO 19 3.476 2.027 13.457 138 HG2 PRO 19 HG2 PRO 19 4.602 3.425 11.061 139 HG3 PRO 19 HG3 PRO 19 5.450 2.764 12.472 140 HD2 PRO 19 HD2 PRO 19 5.327 1.459 10.102 141 HD3 PRO 19 HD3 PRO 19 5.382 0.608 11.659 142 H ILE 20 H ILE 20 3.211 3.157 9.723 143 HA ILE 20 HA ILE 20 1.073 4.880 9.428 144 HB ILE 20 HB ILE 20 2.851 3.889 7.198 145 HG12 ILE 20 HG12 ILE 20 4.197 4.698 9.055 146 HG13 ILE 20 HG13 ILE 20 4.246 5.866 7.739 147 HG21 ILE 20 HG21 ILE 20 2.377 6.094 6.194 148 HG22 ILE 20 HG22 ILE 20 0.934 5.095 6.361 149 HG23 ILE 20 HG23 ILE 20 1.230 6.413 7.495 150 HD11 ILE 20 HD11 ILE 20 3.698 7.417 9.214 151 HD12 ILE 20 HD12 ILE 20 2.110 6.659 9.339 152 HD13 ILE 20 HD13 ILE 20 3.395 6.206 10.458 153 H CYS 21 H CYS 21 1.558 1.687 8.019 154 HA CYS 21 HA CYS 21 -1.256 1.717 7.166 155 HB2 CYS 21 HB2 CYS 21 0.980 0.428 5.592 156 HB3 CYS 21 HB3 CYS 21 -0.713 0.551 5.124 157 H ILE 22 H ILE 22 -2.010 0.475 8.828 158 HA ILE 22 HA ILE 22 -0.733 -2.129 9.289 159 HB ILE 22 HB ILE 22 -2.828 -0.722 10.950 160 HG12 ILE 22 HG12 ILE 22 0.138 -1.072 11.438 161 HG13 ILE 22 HG13 ILE 22 -0.644 0.431 10.960 162 HG21 ILE 22 HG21 ILE 22 -2.884 -3.184 11.095 163 HG22 ILE 22 HG22 ILE 22 -1.189 -3.173 11.578 164 HG23 ILE 22 HG23 ILE 22 -2.405 -2.425 12.613 165 HD11 ILE 22 HD11 ILE 22 -0.776 -1.016 13.569 166 HD12 ILE 22 HD12 ILE 22 -0.372 0.669 13.241 167 HD13 ILE 22 HD13 ILE 22 -2.042 0.119 13.099 168 HA PRO 23 HA PRO 23 -3.989 -4.105 7.038 169 HB2 PRO 23 HB2 PRO 23 -3.486 -6.643 7.860 170 HB3 PRO 23 HB3 PRO 23 -2.484 -5.801 6.672 171 HG2 PRO 23 HG2 PRO 23 -2.018 -6.197 9.602 172 HG3 PRO 23 HG3 PRO 23 -0.870 -6.336 8.258 173 HD2 PRO 23 HD2 PRO 23 -1.000 -4.144 9.842 174 HD3 PRO 23 HD3 PRO 23 -0.556 -4.056 8.125 175 H THR 24 H THR 24 -3.472 -5.158 10.408 176 HA THR 24 HA THR 24 -6.088 -6.129 10.807 177 HB THR 24 HB THR 24 -5.510 -5.782 13.290 178 HG1 THR 24 HG1 THR 24 -3.888 -4.354 13.359 179 HG21 THR 24 HG21 THR 24 -3.357 -7.416 12.093 180 HG22 THR 24 HG22 THR 24 -5.002 -7.808 11.593 181 HG23 THR 24 HG23 THR 24 -4.566 -7.844 13.301 182 H LEU 25 H LEU 25 -4.795 -2.944 10.781 183 HA LEU 25 HA LEU 25 -5.731 -0.892 11.063 184 HB2 LEU 25 HB2 LEU 25 -7.816 -0.651 10.267 185 HB3 LEU 25 HB3 LEU 25 -7.640 -2.357 9.865 186 HG LEU 25 HG LEU 25 -8.651 -2.479 12.401 187 HD11 LEU 25 HD11 LEU 25 -8.941 0.042 12.237 188 HD12 LEU 25 HD12 LEU 25 -10.359 -0.899 12.697 189 HD13 LEU 25 HD13 LEU 25 -10.201 -0.292 11.049 190 HD21 LEU 25 HD21 LEU 25 -9.396 -3.831 10.554 191 HD22 LEU 25 HD22 LEU 25 -10.110 -2.426 9.762 192 HD23 LEU 25 HD23 LEU 25 -10.790 -3.026 11.276 193 HA PRO 26 HA PRO 26 -6.207 -0.303 15.389 194 HB2 PRO 26 HB2 PRO 26 -7.396 2.136 15.450 195 HB3 PRO 26 HB3 PRO 26 -5.697 1.906 15.019 196 HG2 PRO 26 HG2 PRO 26 -8.069 2.290 13.233 197 HG3 PRO 26 HG3 PRO 26 -6.452 3.009 13.116 198 HD2 PRO 26 HD2 PRO 26 -7.221 0.899 11.604 199 HD3 PRO 26 HD3 PRO 26 -5.546 1.124 12.148 200 HA PRO 27 HA PRO 27 -10.412 -1.871 15.874 201 HB2 PRO 27 HB2 PRO 27 -9.981 -2.904 18.347 202 HB3 PRO 27 HB3 PRO 27 -9.484 -3.726 16.863 203 HG2 PRO 27 HG2 PRO 27 -7.852 -2.067 18.746 204 HG3 PRO 27 HG3 PRO 27 -7.439 -3.602 17.962 205 HD2 PRO 27 HD2 PRO 27 -6.542 -1.214 17.053 206 HD3 PRO 27 HD3 PRO 27 -6.883 -2.580 15.972 207 H LEU 28 H LEU 28 -12.043 -1.629 17.673 208 HA LEU 28 HA LEU 28 -13.315 -0.291 18.999 209 HB2 LEU 28 HB2 LEU 28 -10.588 -0.039 20.027 210 HB3 LEU 28 HB3 LEU 28 -11.633 1.320 20.435 211 HG LEU 28 HG LEU 28 -12.235 -1.570 21.061 212 HD11 LEU 28 HD11 LEU 28 -10.266 -0.438 22.260 213 HD12 LEU 28 HD12 LEU 28 -11.512 -1.208 23.243 214 HD13 LEU 28 HD13 LEU 28 -11.498 0.545 23.051 215 HD21 LEU 28 HD21 LEU 28 -13.729 0.962 21.320 216 HD22 LEU 28 HD22 LEU 28 -13.776 -0.119 22.713 217 HD23 LEU 28 HD23 LEU 28 -14.315 -0.691 21.133 218 H THR 29 H THR 29 -12.132 0.680 16.363 219 HA THR 29 HA THR 29 -11.636 3.401 16.370 220 HB THR 29 HB THR 29 -11.353 2.149 14.340 221 HG1 THR 29 HG1 THR 29 -11.809 4.264 13.873 222 HG21 THR 29 HG21 THR 29 -13.228 0.555 14.744 223 HG22 THR 29 HG22 THR 29 -13.170 1.178 13.095 224 HG23 THR 29 HG23 THR 29 -14.351 1.817 14.238 225 H GLY 30 H GLY 30 -14.743 1.705 16.368 226 HA2 GLY 30 HA2 GLY 30 -16.402 3.939 15.988 227 HA3 GLY 30 HA3 GLY 30 -16.877 2.442 16.775 228 H GLY 31 H GLY 31 -14.564 2.971 18.729 229 HA2 GLY 31 HA2 GLY 31 -16.196 4.304 20.686 230 HA3 GLY 31 HA3 GLY 31 -14.581 3.657 20.938 231 H HIS 32 H HIS 32 -12.763 4.942 20.118 232 HA HIS 32 HA HIS 32 -13.390 7.820 20.042 233 HB2 HIS 32 HB2 HIS 32 -11.291 6.350 21.611 234 HB3 HIS 32 HB3 HIS 32 -11.057 8.038 21.166 235 HD1 HIS 32 HD1 HIS 32 -12.395 9.789 22.443 236 HD2 HIS 32 HD2 HIS 32 -13.375 5.887 23.480 237 HE1 HIS 32 HE1 HIS 32 -13.829 9.980 24.500 238 H ALA 33 H ALA 33 -12.240 9.078 18.623 239 HA ALA 33 HA ALA 33 -11.166 7.824 16.333 240 HB1 ALA 33 HB1 ALA 33 -10.864 10.706 17.163 241 HB2 ALA 33 HB2 ALA 33 -10.685 10.049 15.536 242 HB3 ALA 33 HB3 ALA 33 -12.264 10.038 16.323 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 1.450 0.457 2.286 2 HA2 GLY 1 HA2 GLY 1 1.753 0.018 0.016 3 HA3 GLY 1 HA3 GLY 1 0.008 -0.065 -0.176 4 H VAL 2 H VAL 2 2.387 2.406 0.811 5 HA VAL 2 HA VAL 2 1.571 4.112 -1.381 6 HB VAL 2 HB VAL 2 1.181 6.054 0.230 7 HG11 VAL 2 HG11 VAL 2 -1.072 5.776 0.028 8 HG12 VAL 2 HG12 VAL 2 -0.533 4.510 -1.078 9 HG13 VAL 2 HG13 VAL 2 -1.026 4.097 0.564 10 HG21 VAL 2 HG21 VAL 2 0.224 5.341 2.437 11 HG22 VAL 2 HG22 VAL 2 0.884 3.735 2.131 12 HG23 VAL 2 HG23 VAL 2 1.966 5.120 2.278 13 H LEU 3 H LEU 3 3.381 3.935 1.673 14 HA LEU 3 HA LEU 3 5.890 4.331 0.560 15 HB2 LEU 3 HB2 LEU 3 5.467 6.500 -0.104 16 HB3 LEU 3 HB3 LEU 3 4.431 6.832 1.282 17 HG LEU 3 HG LEU 3 6.444 6.910 2.719 18 HD11 LEU 3 HD11 LEU 3 8.347 7.270 0.574 19 HD12 LEU 3 HD12 LEU 3 7.672 5.642 0.577 20 HD13 LEU 3 HD13 LEU 3 8.456 6.273 2.025 21 HD21 LEU 3 HD21 LEU 3 5.430 8.845 1.113 22 HD22 LEU 3 HD22 LEU 3 7.124 8.852 0.623 23 HD23 LEU 3 HD23 LEU 3 6.694 9.106 2.315 24 H GLY 4 H GLY 4 7.363 3.754 2.041 25 HA2 GLY 4 HA2 GLY 4 7.474 4.548 4.704 26 HA3 GLY 4 HA3 GLY 4 6.555 3.050 4.666 27 H ASN 5 H ASN 5 7.719 1.294 5.028 28 HA ASN 5 HA ASN 5 10.262 0.893 3.737 29 HB2 ASN 5 HB2 ASN 5 11.054 2.150 5.634 30 HB3 ASN 5 HB3 ASN 5 10.096 1.173 6.742 31 HD21 ASN 5 HD21 ASN 5 11.738 0.397 7.963 32 HD22 ASN 5 HD22 ASN 5 12.969 -0.657 7.365 33 H ASP 6 H ASP 6 8.809 -0.409 6.715 34 HA ASP 6 HA ASP 6 9.318 -3.083 6.151 35 HB2 ASP 6 HB2 ASP 6 8.737 -2.442 8.384 36 HB3 ASP 6 HB3 ASP 6 7.180 -1.807 7.859 37 H ALA 7 H ALA 7 5.942 -2.180 6.450 38 HA ALA 7 HA ALA 7 5.099 -2.435 3.820 39 HB1 ALA 7 HB1 ALA 7 5.560 -4.596 3.416 40 HB2 ALA 7 HB2 ALA 7 5.674 -5.000 5.129 41 HB3 ALA 7 HB3 ALA 7 4.095 -4.896 4.352 42 H GLU 8 H GLU 8 2.728 -2.911 3.648 43 HA GLU 8 HA GLU 8 1.354 -2.240 6.168 44 HB2 GLU 8 HB2 GLU 8 0.004 -0.690 5.110 45 HB3 GLU 8 HB3 GLU 8 1.530 -0.458 4.268 46 HG2 GLU 8 HG2 GLU 8 0.747 -1.829 2.425 47 HG3 GLU 8 HG3 GLU 8 -0.769 -2.127 3.273 48 H GLY 9 H GLY 9 1.715 -4.499 3.736 49 HA2 GLY 9 HA2 GLY 9 0.233 -6.513 4.511 50 HA3 GLY 9 HA3 GLY 9 -1.046 -5.468 3.911 51 H ILE 10 H ILE 10 0.920 -4.478 1.810 52 HA ILE 10 HA ILE 10 0.299 -6.566 -0.124 53 HB ILE 10 HB ILE 10 1.689 -4.049 -0.909 54 HG12 ILE 10 HG12 ILE 10 0.013 -3.240 0.654 55 HG13 ILE 10 HG13 ILE 10 -0.492 -2.868 -0.991 56 HG21 ILE 10 HG21 ILE 10 -0.519 -4.615 -2.537 57 HG22 ILE 10 HG22 ILE 10 1.184 -4.890 -2.900 58 HG23 ILE 10 HG23 ILE 10 0.222 -6.172 -2.165 59 HD11 ILE 10 HD11 ILE 10 -1.551 -5.405 -0.267 60 HD12 ILE 10 HD12 ILE 10 -1.917 -4.243 1.009 61 HD13 ILE 10 HD13 ILE 10 -2.405 -3.911 -0.653 62 H THR 11 H THR 11 1.974 -7.014 -1.836 63 HA THR 11 HA THR 11 4.535 -7.551 -0.513 64 HB THR 11 HB THR 11 3.504 -8.724 -3.101 65 HG1 THR 11 HG1 THR 11 3.146 -9.465 -0.411 66 HG21 THR 11 HG21 THR 11 5.583 -9.514 -3.281 67 HG22 THR 11 HG22 THR 11 5.288 -10.459 -1.821 68 HG23 THR 11 HG23 THR 11 6.023 -8.860 -1.703 69 H LEU 12 H LEU 12 3.128 -5.535 -2.856 70 HA LEU 12 HA LEU 12 5.085 -5.166 -4.758 71 HB2 LEU 12 HB2 LEU 12 3.372 -3.048 -3.467 72 HB3 LEU 12 HB3 LEU 12 4.236 -2.874 -4.993 73 HG LEU 12 HG LEU 12 2.213 -5.052 -4.687 74 HD11 LEU 12 HD11 LEU 12 1.436 -2.588 -4.006 75 HD12 LEU 12 HD12 LEU 12 0.401 -3.712 -4.886 76 HD13 LEU 12 HD13 LEU 12 1.284 -2.459 -5.758 77 HD21 LEU 12 HD21 LEU 12 3.528 -5.089 -6.682 78 HD22 LEU 12 HD22 LEU 12 3.238 -3.373 -6.970 79 HD23 LEU 12 HD23 LEU 12 1.911 -4.527 -7.108 80 H LEU 13 H LEU 13 6.536 -3.208 -4.969 81 HA LEU 13 HA LEU 13 8.434 -3.245 -2.846 82 HB2 LEU 13 HB2 LEU 13 9.522 -2.932 -4.810 83 HB3 LEU 13 HB3 LEU 13 8.206 -1.995 -5.514 84 HG LEU 13 HG LEU 13 8.929 -0.026 -4.259 85 HD11 LEU 13 HD11 LEU 13 11.323 -0.287 -3.253 86 HD12 LEU 13 HD12 LEU 13 10.855 -1.979 -3.087 87 HD13 LEU 13 HD13 LEU 13 9.905 -0.720 -2.298 88 HD21 LEU 13 HD21 LEU 13 9.950 -0.858 -6.526 89 HD22 LEU 13 HD22 LEU 13 11.413 -1.041 -5.558 90 HD23 LEU 13 HD23 LEU 13 10.634 0.536 -5.689 91 HA PRO 14 HA PRO 14 7.117 1.355 -2.191 92 HB2 PRO 14 HB2 PRO 14 4.903 2.220 -3.502 93 HB3 PRO 14 HB3 PRO 14 6.528 2.326 -4.188 94 HG2 PRO 14 HG2 PRO 14 4.387 0.295 -4.694 95 HG3 PRO 14 HG3 PRO 14 5.465 1.096 -5.852 96 HD2 PRO 14 HD2 PRO 14 5.905 -1.420 -4.953 97 HD3 PRO 14 HD3 PRO 14 7.226 -0.314 -5.380 98 H LEU 15 H LEU 15 6.570 0.203 -0.225 99 HA LEU 15 HA LEU 15 3.665 0.016 0.233 100 HB2 LEU 15 HB2 LEU 15 5.948 -1.649 1.154 101 HB3 LEU 15 HB3 LEU 15 4.583 -1.437 2.249 102 HG LEU 15 HG LEU 15 4.700 -3.497 0.644 103 HD11 LEU 15 HD11 LEU 15 2.631 -2.073 1.925 104 HD12 LEU 15 HD12 LEU 15 2.664 -3.776 1.468 105 HD13 LEU 15 HD13 LEU 15 2.017 -2.576 0.350 106 HD21 LEU 15 HD21 LEU 15 3.425 -1.441 -1.155 107 HD22 LEU 15 HD22 LEU 15 3.626 -3.162 -1.484 108 HD23 LEU 15 HD23 LEU 15 5.040 -2.111 -1.382 109 H CYS 16 H CYS 16 3.389 0.034 2.842 110 HA CYS 16 HA CYS 16 4.372 2.676 3.616 111 HB2 CYS 16 HB2 CYS 16 1.882 1.564 3.784 112 HB3 CYS 16 HB3 CYS 16 2.493 1.293 5.412 113 H PHE 17 H PHE 17 4.416 2.723 6.252 114 HA PHE 17 HA PHE 17 6.760 1.178 6.900 115 HB2 PHE 17 HB2 PHE 17 5.214 3.364 8.244 116 HB3 PHE 17 HB3 PHE 17 6.360 2.412 9.183 117 HD1 PHE 17 HD1 PHE 17 8.696 2.075 7.832 118 HD2 PHE 17 HD2 PHE 17 6.006 5.352 7.448 119 HE1 PHE 17 HE1 PHE 17 10.539 3.489 7.019 120 HE2 PHE 17 HE2 PHE 17 7.844 6.770 6.633 121 HZ PHE 17 HZ PHE 17 10.114 5.839 6.417 122 H LYS 18 H LYS 18 6.836 0.237 9.221 123 HA LYS 18 HA LYS 18 4.934 -1.895 9.313 124 HB2 LYS 18 HB2 LYS 18 6.937 -2.675 10.079 125 HB3 LYS 18 HB3 LYS 18 7.389 -1.132 10.790 126 HG2 LYS 18 HG2 LYS 18 6.113 -1.536 12.729 127 HG3 LYS 18 HG3 LYS 18 5.270 -2.895 11.982 128 HD2 LYS 18 HD2 LYS 18 7.621 -3.948 11.786 129 HD3 LYS 18 HD3 LYS 18 8.092 -2.741 12.985 130 HE2 LYS 18 HE2 LYS 18 7.524 -4.749 14.147 131 HE3 LYS 18 HE3 LYS 18 6.242 -3.575 14.439 132 HZ1 LYS 18 HZ1 LYS 18 5.547 -5.929 13.872 133 HZ2 LYS 18 HZ2 LYS 18 6.043 -5.596 12.290 134 HZ3 LYS 18 HZ3 LYS 18 4.803 -4.688 12.995 135 HA PRO 19 HA PRO 19 3.558 0.215 13.437 136 HB2 PRO 19 HB2 PRO 19 4.507 2.709 13.936 137 HB3 PRO 19 HB3 PRO 19 5.340 1.241 14.461 138 HG2 PRO 19 HG2 PRO 19 5.877 2.977 12.081 139 HG3 PRO 19 HG3 PRO 19 7.028 2.242 13.213 140 HD2 PRO 19 HD2 PRO 19 6.514 1.192 10.771 141 HD3 PRO 19 HD3 PRO 19 6.931 0.187 12.174 142 H ILE 20 H ILE 20 4.268 2.752 11.028 143 HA ILE 20 HA ILE 20 2.070 4.352 11.335 144 HB ILE 20 HB ILE 20 3.318 3.587 8.693 145 HG12 ILE 20 HG12 ILE 20 4.995 4.402 10.261 146 HG13 ILE 20 HG13 ILE 20 4.691 5.619 9.026 147 HG21 ILE 20 HG21 ILE 20 1.918 5.006 7.720 148 HG22 ILE 20 HG22 ILE 20 1.071 5.181 9.256 149 HG23 ILE 20 HG23 ILE 20 2.381 6.286 8.841 150 HD11 ILE 20 HD11 ILE 20 3.957 5.631 11.915 151 HD12 ILE 20 HD12 ILE 20 4.763 6.870 10.953 152 HD13 ILE 20 HD13 ILE 20 3.032 6.592 10.762 153 H CYS 21 H CYS 21 2.214 1.985 8.678 154 HA CYS 21 HA CYS 21 -0.699 1.695 8.879 155 HB2 CYS 21 HB2 CYS 21 1.048 0.719 6.622 156 HB3 CYS 21 HB3 CYS 21 -0.692 0.988 6.608 157 H ILE 22 H ILE 22 -1.381 0.015 10.020 158 HA ILE 22 HA ILE 22 0.243 -2.439 10.043 159 HB ILE 22 HB ILE 22 -1.919 -1.653 11.996 160 HG12 ILE 22 HG12 ILE 22 1.085 -1.508 12.326 161 HG13 ILE 22 HG13 ILE 22 0.031 -0.121 12.077 162 HG21 ILE 22 HG21 ILE 22 -1.524 -4.068 11.767 163 HG22 ILE 22 HG22 ILE 22 0.179 -3.812 12.143 164 HG23 ILE 22 HG23 ILE 22 -1.053 -3.464 13.355 165 HD11 ILE 22 HD11 ILE 22 0.071 -1.973 14.444 166 HD12 ILE 22 HD12 ILE 22 0.549 -0.275 14.397 167 HD13 ILE 22 HD13 ILE 22 -1.143 -0.721 14.182 168 HA PRO 23 HA PRO 23 -2.909 -4.385 7.622 169 HB2 PRO 23 HB2 PRO 23 -2.070 -6.944 7.962 170 HB3 PRO 23 HB3 PRO 23 -1.249 -5.798 6.896 171 HG2 PRO 23 HG2 PRO 23 -0.549 -6.623 9.687 172 HG3 PRO 23 HG3 PRO 23 0.516 -6.391 8.289 173 HD2 PRO 23 HD2 PRO 23 0.244 -4.531 10.237 174 HD3 PRO 23 HD3 PRO 23 0.561 -4.101 8.545 175 H THR 24 H THR 24 -2.091 -5.685 10.827 176 HA THR 24 HA THR 24 -4.795 -6.762 11.100 177 HB THR 24 HB THR 24 -3.781 -7.540 13.381 178 HG1 THR 24 HG1 THR 24 -1.852 -6.329 13.229 179 HG21 THR 24 HG21 THR 24 -3.674 -8.620 10.691 180 HG22 THR 24 HG22 THR 24 -4.053 -9.426 12.213 181 HG23 THR 24 HG23 THR 24 -2.375 -9.249 11.703 182 H LEU 25 H LEU 25 -4.092 -3.845 11.178 183 HA LEU 25 HA LEU 25 -4.142 -2.736 13.695 184 HB2 LEU 25 HB2 LEU 25 -5.260 -0.799 12.669 185 HB3 LEU 25 HB3 LEU 25 -3.890 -1.383 11.727 186 HG LEU 25 HG LEU 25 -5.724 -2.650 10.368 187 HD11 LEU 25 HD11 LEU 25 -7.755 -1.003 10.299 188 HD12 LEU 25 HD12 LEU 25 -7.279 -0.670 11.963 189 HD13 LEU 25 HD13 LEU 25 -7.702 -2.312 11.479 190 HD21 LEU 25 HD21 LEU 25 -4.894 -1.196 8.909 191 HD22 LEU 25 HD22 LEU 25 -4.531 -0.035 10.186 192 HD23 LEU 25 HD23 LEU 25 -6.127 -0.049 9.433 193 HA PRO 26 HA PRO 26 -8.014 -3.663 15.544 194 HB2 PRO 26 HB2 PRO 26 -8.481 -1.392 16.956 195 HB3 PRO 26 HB3 PRO 26 -7.248 -2.572 17.415 196 HG2 PRO 26 HG2 PRO 26 -6.939 0.015 15.940 197 HG3 PRO 26 HG3 PRO 26 -5.934 -0.661 17.235 198 HD2 PRO 26 HD2 PRO 26 -5.231 -0.798 14.624 199 HD3 PRO 26 HD3 PRO 26 -4.799 -2.059 15.796 200 HA PRO 27 HA PRO 27 -11.403 -1.998 13.291 201 HB2 PRO 27 HB2 PRO 27 -13.394 -1.980 15.137 202 HB3 PRO 27 HB3 PRO 27 -12.762 -3.467 14.421 203 HG2 PRO 27 HG2 PRO 27 -12.128 -2.221 17.068 204 HG3 PRO 27 HG3 PRO 27 -12.420 -3.925 16.675 205 HD2 PRO 27 HD2 PRO 27 -9.931 -2.912 17.005 206 HD3 PRO 27 HD3 PRO 27 -10.280 -4.238 15.878 207 H LEU 28 H LEU 28 -13.373 -0.361 13.692 208 HA LEU 28 HA LEU 28 -13.915 1.851 13.739 209 HB2 LEU 28 HB2 LEU 28 -12.670 1.311 16.389 210 HB3 LEU 28 HB3 LEU 28 -13.063 2.976 15.965 211 HG LEU 28 HG LEU 28 -14.796 1.841 17.334 212 HD11 LEU 28 HD11 LEU 28 -16.440 2.233 15.054 213 HD12 LEU 28 HD12 LEU 28 -15.114 3.394 14.984 214 HD13 LEU 28 HD13 LEU 28 -16.152 3.326 16.408 215 HD21 LEU 28 HD21 LEU 28 -15.911 -0.032 16.677 216 HD22 LEU 28 HD22 LEU 28 -14.354 -0.357 15.915 217 HD23 LEU 28 HD23 LEU 28 -15.684 0.298 14.959 218 H THR 29 H THR 29 -11.374 1.105 12.479 219 HA THR 29 HA THR 29 -9.257 2.793 13.014 220 HB THR 29 HB THR 29 -10.091 2.151 10.192 221 HG1 THR 29 HG1 THR 29 -10.015 0.119 10.770 222 HG21 THR 29 HG21 THR 29 -8.151 3.449 10.158 223 HG22 THR 29 HG22 THR 29 -7.533 1.799 10.089 224 HG23 THR 29 HG23 THR 29 -7.503 2.689 11.611 225 H GLY 30 H GLY 30 -12.243 3.468 11.276 226 HA2 GLY 30 HA2 GLY 30 -11.328 6.234 10.831 227 HA3 GLY 30 HA3 GLY 30 -12.629 5.445 9.951 228 H GLY 31 H GLY 31 -12.008 5.671 13.446 229 HA2 GLY 31 HA2 GLY 31 -14.266 7.469 13.781 230 HA3 GLY 31 HA3 GLY 31 -14.489 5.851 14.430 231 H HIS 32 H HIS 32 -12.249 5.184 15.636 232 HA HIS 32 HA HIS 32 -11.547 7.410 17.424 233 HB2 HIS 32 HB2 HIS 32 -13.260 5.967 18.496 234 HB3 HIS 32 HB3 HIS 32 -12.176 4.590 18.323 235 HD1 HIS 32 HD1 HIS 32 -10.487 4.239 20.138 236 HD2 HIS 32 HD2 HIS 32 -12.264 7.990 20.323 237 HE1 HIS 32 HE1 HIS 32 -9.690 5.255 22.296 238 H ALA 33 H ALA 33 -9.663 7.407 15.950 239 HA ALA 33 HA ALA 33 -7.867 5.313 15.653 240 HB1 ALA 33 HB1 ALA 33 -7.852 8.174 15.240 241 HB2 ALA 33 HB2 ALA 33 -6.279 7.589 15.785 242 HB3 ALA 33 HB3 ALA 33 -7.025 6.900 14.342 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 2.145 0.744 -0.274 2 HA2 GLY 1 HA2 GLY 1 2.981 -0.657 -2.001 3 HA3 GLY 1 HA3 GLY 1 1.410 -0.582 -2.784 4 H VAL 2 H VAL 2 3.891 1.757 -1.731 5 HA VAL 2 HA VAL 2 4.203 2.696 -4.453 6 HB VAL 2 HB VAL 2 3.820 5.105 -3.704 7 HG11 VAL 2 HG11 VAL 2 1.217 3.677 -3.650 8 HG12 VAL 2 HG12 VAL 2 1.730 5.063 -4.614 9 HG13 VAL 2 HG13 VAL 2 2.261 3.438 -5.051 10 HG21 VAL 2 HG21 VAL 2 3.715 4.842 -1.338 11 HG22 VAL 2 HG22 VAL 2 2.109 5.327 -1.882 12 HG23 VAL 2 HG23 VAL 2 2.428 3.642 -1.468 13 H LEU 3 H LEU 3 4.917 3.340 -1.032 14 HA LEU 3 HA LEU 3 7.654 2.994 -1.200 15 HB2 LEU 3 HB2 LEU 3 8.094 4.786 -2.545 16 HB3 LEU 3 HB3 LEU 3 6.717 5.709 -1.948 17 HG LEU 3 HG LEU 3 7.976 6.185 0.124 18 HD11 LEU 3 HD11 LEU 3 9.846 5.119 0.659 19 HD12 LEU 3 HD12 LEU 3 10.593 5.545 -0.880 20 HD13 LEU 3 HD13 LEU 3 9.605 4.091 -0.753 21 HD21 LEU 3 HD21 LEU 3 8.163 7.414 -2.280 22 HD22 LEU 3 HD22 LEU 3 9.862 7.074 -1.949 23 HD23 LEU 3 HD23 LEU 3 8.909 8.012 -0.798 24 H GLY 4 H GLY 4 8.517 2.964 0.811 25 HA2 GLY 4 HA2 GLY 4 7.788 4.642 2.943 26 HA3 GLY 4 HA3 GLY 4 6.842 3.166 3.056 27 H ASN 5 H ASN 5 7.693 1.593 4.234 28 HA ASN 5 HA ASN 5 10.590 1.230 4.289 29 HB2 ASN 5 HB2 ASN 5 10.228 2.654 6.201 30 HB3 ASN 5 HB3 ASN 5 8.887 1.653 6.751 31 HD21 ASN 5 HD21 ASN 5 9.797 1.229 8.732 32 HD22 ASN 5 HD22 ASN 5 11.176 0.207 8.930 33 H ASP 6 H ASP 6 7.947 -0.043 6.294 34 HA ASP 6 HA ASP 6 8.830 -2.737 5.914 35 HB2 ASP 6 HB2 ASP 6 7.846 -2.224 8.021 36 HB3 ASP 6 HB3 ASP 6 6.415 -1.531 7.262 37 H ALA 7 H ALA 7 5.487 -1.650 5.489 38 HA ALA 7 HA ALA 7 5.280 -2.112 2.734 39 HB1 ALA 7 HB1 ALA 7 5.471 -4.354 2.722 40 HB2 ALA 7 HB2 ALA 7 5.073 -4.503 4.434 41 HB3 ALA 7 HB3 ALA 7 3.787 -4.306 3.243 42 H GLU 8 H GLU 8 2.995 -2.221 1.999 43 HA GLU 8 HA GLU 8 1.269 -0.811 3.916 44 HB2 GLU 8 HB2 GLU 8 0.305 0.345 2.153 45 HB3 GLU 8 HB3 GLU 8 1.973 0.190 1.621 46 HG2 GLU 8 HG2 GLU 8 1.404 -1.616 0.156 47 HG3 GLU 8 HG3 GLU 8 -0.242 -1.665 0.785 48 H GLY 9 H GLY 9 1.586 -3.684 2.047 49 HA2 GLY 9 HA2 GLY 9 -0.058 -5.372 3.190 50 HA3 GLY 9 HA3 GLY 9 -1.246 -4.362 2.381 51 H ILE 10 H ILE 10 0.585 -3.923 0.085 52 HA ILE 10 HA ILE 10 -0.305 -6.082 -1.520 53 HB ILE 10 HB ILE 10 1.908 -4.204 -2.303 54 HG12 ILE 10 HG12 ILE 10 0.250 -2.742 -1.405 55 HG13 ILE 10 HG13 ILE 10 0.050 -2.710 -3.153 56 HG21 ILE 10 HG21 ILE 10 0.251 -4.493 -4.439 57 HG22 ILE 10 HG22 ILE 10 1.688 -5.470 -4.142 58 HG23 ILE 10 HG23 ILE 10 0.100 -6.068 -3.661 59 HD11 ILE 10 HD11 ILE 10 -1.633 -4.739 -2.325 60 HD12 ILE 10 HD12 ILE 10 -1.812 -3.492 -1.090 61 HD13 ILE 10 HD13 ILE 10 -2.098 -3.101 -2.785 62 H THR 11 H THR 11 1.047 -7.532 -2.777 63 HA THR 11 HA THR 11 2.726 -9.115 -1.252 64 HB THR 11 HB THR 11 3.080 -8.935 -4.231 65 HG1 THR 11 HG1 THR 11 0.930 -9.066 -4.232 66 HG21 THR 11 HG21 THR 11 3.134 -11.447 -3.924 67 HG22 THR 11 HG22 THR 11 3.163 -11.147 -2.187 68 HG23 THR 11 HG23 THR 11 4.476 -10.558 -3.206 69 H LEU 12 H LEU 12 3.455 -6.242 -3.069 70 HA LEU 12 HA LEU 12 6.235 -6.560 -3.338 71 HB2 LEU 12 HB2 LEU 12 4.491 -4.117 -3.158 72 HB3 LEU 12 HB3 LEU 12 6.228 -4.029 -3.438 73 HG LEU 12 HG LEU 12 4.293 -5.464 -5.252 74 HD11 LEU 12 HD11 LEU 12 5.594 -2.906 -6.013 75 HD12 LEU 12 HD12 LEU 12 4.190 -2.841 -4.948 76 HD13 LEU 12 HD13 LEU 12 4.057 -3.597 -6.535 77 HD21 LEU 12 HD21 LEU 12 6.188 -5.337 -6.839 78 HD22 LEU 12 HD22 LEU 12 6.537 -6.323 -5.420 79 HD23 LEU 12 HD23 LEU 12 7.193 -4.690 -5.542 80 H LEU 13 H LEU 13 7.952 -5.975 -2.060 81 HA LEU 13 HA LEU 13 7.443 -5.874 0.775 82 HB2 LEU 13 HB2 LEU 13 9.291 -7.144 0.451 83 HB3 LEU 13 HB3 LEU 13 9.787 -6.249 -0.984 84 HG LEU 13 HG LEU 13 10.690 -4.472 0.431 85 HD11 LEU 13 HD11 LEU 13 10.932 -5.235 2.935 86 HD12 LEU 13 HD12 LEU 13 9.442 -6.108 2.579 87 HD13 LEU 13 HD13 LEU 13 9.506 -4.357 2.383 88 HD21 LEU 13 HD21 LEU 13 11.785 -7.050 1.492 89 HD22 LEU 13 HD22 LEU 13 12.643 -5.578 1.037 90 HD23 LEU 13 HD23 LEU 13 11.960 -6.623 -0.210 91 HA PRO 14 HA PRO 14 9.618 -1.582 0.308 92 HB2 PRO 14 HB2 PRO 14 9.974 -0.639 -2.212 93 HB3 PRO 14 HB3 PRO 14 11.174 -1.635 -1.381 94 HG2 PRO 14 HG2 PRO 14 9.129 -2.435 -3.416 95 HG3 PRO 14 HG3 PRO 14 10.830 -2.921 -3.288 96 HD2 PRO 14 HD2 PRO 14 8.796 -4.500 -2.450 97 HD3 PRO 14 HD3 PRO 14 10.388 -4.495 -1.664 98 H LEU 15 H LEU 15 7.404 -1.246 1.075 99 HA LEU 15 HA LEU 15 5.908 0.480 -0.768 100 HB2 LEU 15 HB2 LEU 15 4.514 -1.395 1.115 101 HB3 LEU 15 HB3 LEU 15 3.831 -0.478 -0.227 102 HG LEU 15 HG LEU 15 5.620 -2.900 -0.420 103 HD11 LEU 15 HD11 LEU 15 3.275 -3.332 0.225 104 HD12 LEU 15 HD12 LEU 15 3.687 -3.991 -1.357 105 HD13 LEU 15 HD13 LEU 15 2.746 -2.504 -1.240 106 HD21 LEU 15 HD21 LEU 15 6.129 -2.298 -2.491 107 HD22 LEU 15 HD22 LEU 15 5.275 -0.772 -2.257 108 HD23 LEU 15 HD23 LEU 15 4.416 -2.176 -2.893 109 H CYS 16 H CYS 16 3.845 1.201 0.887 110 HA CYS 16 HA CYS 16 4.794 3.284 2.358 111 HB2 CYS 16 HB2 CYS 16 2.380 2.758 1.802 112 HB3 CYS 16 HB3 CYS 16 2.374 1.685 3.198 113 H PHE 17 H PHE 17 5.077 3.685 4.615 114 HA PHE 17 HA PHE 17 6.752 1.875 5.915 115 HB2 PHE 17 HB2 PHE 17 5.147 4.174 7.047 116 HB3 PHE 17 HB3 PHE 17 6.412 3.321 7.926 117 HD1 PHE 17 HD1 PHE 17 5.704 5.560 5.099 118 HD2 PHE 17 HD2 PHE 17 8.717 3.727 7.482 119 HE1 PHE 17 HE1 PHE 17 7.386 7.071 4.129 120 HE2 PHE 17 HE2 PHE 17 10.403 5.236 6.516 121 HZ PHE 17 HZ PHE 17 9.739 6.911 4.838 122 H LYS 18 H LYS 18 6.321 1.073 8.217 123 HA LYS 18 HA LYS 18 4.226 -0.835 8.106 124 HB2 LYS 18 HB2 LYS 18 5.928 -1.665 9.379 125 HB3 LYS 18 HB3 LYS 18 6.354 -0.088 10.030 126 HG2 LYS 18 HG2 LYS 18 4.648 -0.185 11.654 127 HG3 LYS 18 HG3 LYS 18 3.872 -1.559 10.863 128 HD2 LYS 18 HD2 LYS 18 5.753 -2.982 11.423 129 HD3 LYS 18 HD3 LYS 18 6.612 -1.610 12.128 130 HE2 LYS 18 HE2 LYS 18 3.967 -2.682 13.106 131 HE3 LYS 18 HE3 LYS 18 5.534 -3.068 13.816 132 HZ1 LYS 18 HZ1 LYS 18 5.783 -0.562 14.072 133 HZ2 LYS 18 HZ2 LYS 18 4.709 -1.345 15.118 134 HZ3 LYS 18 HZ3 LYS 18 4.117 -0.476 13.793 135 HA PRO 19 HA PRO 19 2.172 1.803 11.595 136 HB2 PRO 19 HB2 PRO 19 3.203 4.271 12.058 137 HB3 PRO 19 HB3 PRO 19 3.769 2.822 12.895 138 HG2 PRO 19 HG2 PRO 19 4.964 4.241 10.545 139 HG3 PRO 19 HG3 PRO 19 5.770 3.565 11.973 140 HD2 PRO 19 HD2 PRO 19 5.713 2.283 9.589 141 HD3 PRO 19 HD3 PRO 19 5.723 1.417 11.139 142 H ILE 20 H ILE 20 3.612 4.003 9.181 143 HA ILE 20 HA ILE 20 1.445 5.699 8.841 144 HB ILE 20 HB ILE 20 3.340 4.838 6.654 145 HG12 ILE 20 HG12 ILE 20 4.630 5.528 8.586 146 HG13 ILE 20 HG13 ILE 20 4.698 6.797 7.368 147 HG21 ILE 20 HG21 ILE 20 2.278 6.313 5.383 148 HG22 ILE 20 HG22 ILE 20 1.152 6.640 6.699 149 HG23 ILE 20 HG23 ILE 20 2.633 7.585 6.551 150 HD11 ILE 20 HD11 ILE 20 3.010 6.775 9.856 151 HD12 ILE 20 HD12 ILE 20 4.422 7.781 9.534 152 HD13 ILE 20 HD13 ILE 20 2.942 8.015 8.605 153 H CYS 21 H CYS 21 1.917 2.458 7.708 154 HA CYS 21 HA CYS 21 -0.793 2.453 6.634 155 HB2 CYS 21 HB2 CYS 21 1.622 1.569 5.042 156 HB3 CYS 21 HB3 CYS 21 -0.047 1.240 4.586 157 H ILE 22 H ILE 22 -1.436 1.120 8.298 158 HA ILE 22 HA ILE 22 -0.053 -1.445 8.614 159 HB ILE 22 HB ILE 22 -2.256 -0.269 10.312 160 HG12 ILE 22 HG12 ILE 22 0.724 -0.382 10.826 161 HG13 ILE 22 HG13 ILE 22 -0.174 1.066 10.384 162 HG21 ILE 22 HG21 ILE 22 -1.755 -2.002 11.888 163 HG22 ILE 22 HG22 ILE 22 -2.048 -2.750 10.319 164 HG23 ILE 22 HG23 ILE 22 -0.398 -2.563 10.911 165 HD11 ILE 22 HD11 ILE 22 -0.474 -0.544 12.906 166 HD12 ILE 22 HD12 ILE 22 0.227 1.067 12.744 167 HD13 ILE 22 HD13 ILE 22 -1.495 0.822 12.457 168 HA PRO 23 HA PRO 23 -3.171 -3.479 6.225 169 HB2 PRO 23 HB2 PRO 23 -2.535 -6.024 6.925 170 HB3 PRO 23 HB3 PRO 23 -1.570 -5.070 5.793 171 HG2 PRO 23 HG2 PRO 23 -1.111 -5.588 8.705 172 HG3 PRO 23 HG3 PRO 23 0.056 -5.594 7.370 173 HD2 PRO 23 HD2 PRO 23 -0.212 -3.496 9.060 174 HD3 PRO 23 HD3 PRO 23 0.244 -3.297 7.356 175 H THR 24 H THR 24 -2.629 -4.676 9.542 176 HA THR 24 HA THR 24 -5.243 -5.747 9.830 177 HB THR 24 HB THR 24 -3.463 -4.908 12.115 178 HG1 THR 24 HG1 THR 24 -2.124 -6.467 11.602 179 HG21 THR 24 HG21 THR 24 -5.748 -6.789 11.737 180 HG22 THR 24 HG22 THR 24 -5.415 -5.673 13.061 181 HG23 THR 24 HG23 THR 24 -4.511 -7.181 12.930 182 H LEU 25 H LEU 25 -3.974 -2.576 10.073 183 HA LEU 25 HA LEU 25 -4.895 -0.566 10.599 184 HB2 LEU 25 HB2 LEU 25 -7.299 -2.261 10.097 185 HB3 LEU 25 HB3 LEU 25 -7.508 -0.633 10.740 186 HG LEU 25 HG LEU 25 -6.105 -1.291 8.150 187 HD11 LEU 25 HD11 LEU 25 -8.736 -1.602 8.516 188 HD12 LEU 25 HD12 LEU 25 -8.036 -1.007 7.011 189 HD13 LEU 25 HD13 LEU 25 -8.695 0.130 8.186 190 HD21 LEU 25 HD21 LEU 25 -6.994 1.331 9.348 191 HD22 LEU 25 HD22 LEU 25 -6.289 1.117 7.746 192 HD23 LEU 25 HD23 LEU 25 -5.329 0.773 9.185 193 HA PRO 26 HA PRO 26 -5.424 -0.342 14.949 194 HB2 PRO 26 HB2 PRO 26 -6.873 1.936 15.238 195 HB3 PRO 26 HB3 PRO 26 -5.170 1.934 14.765 196 HG2 PRO 26 HG2 PRO 26 -7.612 2.200 13.053 197 HG3 PRO 26 HG3 PRO 26 -6.087 3.103 12.976 198 HD2 PRO 26 HD2 PRO 26 -6.656 1.055 11.298 199 HD3 PRO 26 HD3 PRO 26 -5.003 1.419 11.835 200 HA PRO 27 HA PRO 27 -9.262 -1.988 16.327 201 HB2 PRO 27 HB2 PRO 27 -9.543 -0.880 18.789 202 HB3 PRO 27 HB3 PRO 27 -8.347 -2.131 18.430 203 HG2 PRO 27 HG2 PRO 27 -7.986 0.835 18.617 204 HG3 PRO 27 HG3 PRO 27 -6.952 -0.460 19.247 205 HD2 PRO 27 HD2 PRO 27 -6.390 0.868 16.955 206 HD3 PRO 27 HD3 PRO 27 -5.962 -0.838 17.200 207 H LEU 28 H LEU 28 -11.411 -1.306 17.435 208 HA LEU 28 HA LEU 28 -12.263 1.268 16.281 209 HB2 LEU 28 HB2 LEU 28 -13.498 -1.426 16.276 210 HB3 LEU 28 HB3 LEU 28 -14.579 -0.043 16.434 211 HG LEU 28 HG LEU 28 -12.626 -0.436 14.168 212 HD11 LEU 28 HD11 LEU 28 -14.648 -2.064 14.454 213 HD12 LEU 28 HD12 LEU 28 -14.293 -1.350 12.881 214 HD13 LEU 28 HD13 LEU 28 -15.583 -0.683 13.881 215 HD21 LEU 28 HD21 LEU 28 -14.053 1.323 13.108 216 HD22 LEU 28 HD22 LEU 28 -13.102 1.881 14.486 217 HD23 LEU 28 HD23 LEU 28 -14.826 1.559 14.676 218 H THR 29 H THR 29 -12.347 -0.863 19.032 219 HA THR 29 HA THR 29 -14.356 0.437 20.524 220 HB THR 29 HB THR 29 -13.441 -0.701 22.477 221 HG1 THR 29 HG1 THR 29 -11.239 -1.219 20.748 222 HG21 THR 29 HG21 THR 29 -13.509 -2.319 19.937 223 HG22 THR 29 HG22 THR 29 -14.799 -2.095 21.119 224 HG23 THR 29 HG23 THR 29 -13.377 -3.051 21.535 225 H GLY 30 H GLY 30 -10.962 1.108 20.035 226 HA2 GLY 30 HA2 GLY 30 -10.787 2.988 22.217 227 HA3 GLY 30 HA3 GLY 30 -9.561 2.688 20.994 228 H GLY 31 H GLY 31 -11.800 3.113 18.932 229 HA2 GLY 31 HA2 GLY 31 -11.160 5.691 18.161 230 HA3 GLY 31 HA3 GLY 31 -12.622 4.848 17.671 231 H HIS 32 H HIS 32 -13.513 4.647 20.507 232 HA HIS 32 HA HIS 32 -14.266 7.465 20.923 233 HB2 HIS 32 HB2 HIS 32 -16.494 6.823 21.483 234 HB3 HIS 32 HB3 HIS 32 -16.103 6.017 19.967 235 HD1 HIS 32 HD1 HIS 32 -17.193 5.374 23.406 236 HD2 HIS 32 HD2 HIS 32 -15.552 3.191 20.274 237 HE1 HIS 32 HE1 HIS 32 -17.579 2.959 23.994 238 H ALA 33 H ALA 33 -15.248 7.742 23.207 239 HA ALA 33 HA ALA 33 -13.233 6.962 25.080 240 HB1 ALA 33 HB1 ALA 33 -13.924 8.826 26.061 241 HB2 ALA 33 HB2 ALA 33 -15.273 8.937 24.929 242 HB3 ALA 33 HB3 ALA 33 -15.462 8.052 26.443 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 2.030 1.330 0.312 2 HA2 GLY 1 HA2 GLY 1 2.535 -0.109 -1.510 3 HA3 GLY 1 HA3 GLY 1 0.959 0.254 -2.198 4 H VAL 2 H VAL 2 3.847 2.103 -1.206 5 HA VAL 2 HA VAL 2 4.161 3.114 -3.902 6 HB VAL 2 HB VAL 2 4.227 5.512 -3.033 7 HG11 VAL 2 HG11 VAL 2 1.433 4.505 -2.882 8 HG12 VAL 2 HG12 VAL 2 2.099 5.864 -3.789 9 HG13 VAL 2 HG13 VAL 2 2.350 4.214 -4.360 10 HG21 VAL 2 HG21 VAL 2 2.679 5.918 -1.101 11 HG22 VAL 2 HG22 VAL 2 2.737 4.186 -0.775 12 HG23 VAL 2 HG23 VAL 2 4.210 5.152 -0.677 13 H LEU 3 H LEU 3 5.160 3.462 -0.509 14 HA LEU 3 HA LEU 3 7.786 2.678 -0.861 15 HB2 LEU 3 HB2 LEU 3 8.435 4.440 -2.165 16 HB3 LEU 3 HB3 LEU 3 7.279 5.549 -1.430 17 HG LEU 3 HG LEU 3 8.730 5.699 0.559 18 HD11 LEU 3 HD11 LEU 3 11.129 4.667 -0.632 19 HD12 LEU 3 HD12 LEU 3 9.910 3.400 -0.513 20 HD13 LEU 3 HD13 LEU 3 10.400 4.289 0.929 21 HD21 LEU 3 HD21 LEU 3 8.981 7.000 -1.794 22 HD22 LEU 3 HD22 LEU 3 10.608 6.341 -1.615 23 HD23 LEU 3 HD23 LEU 3 9.929 7.372 -0.354 24 H GLY 4 H GLY 4 8.728 2.393 1.091 25 HA2 GLY 4 HA2 GLY 4 8.394 4.072 3.329 26 HA3 GLY 4 HA3 GLY 4 7.246 2.746 3.442 27 H ASN 5 H ASN 5 7.918 1.014 4.508 28 HA ASN 5 HA ASN 5 10.707 0.187 4.335 29 HB2 ASN 5 HB2 ASN 5 10.730 1.637 6.277 30 HB3 ASN 5 HB3 ASN 5 9.325 0.816 6.951 31 HD21 ASN 5 HD21 ASN 5 10.205 0.054 8.791 32 HD22 ASN 5 HD22 ASN 5 11.503 -1.084 8.850 33 H ASP 6 H ASP 6 7.908 -0.593 6.401 34 HA ASP 6 HA ASP 6 8.333 -3.415 6.016 35 HB2 ASP 6 HB2 ASP 6 6.740 -1.713 7.780 36 HB3 ASP 6 HB3 ASP 6 5.874 -3.152 7.250 37 H ALA 7 H ALA 7 5.219 -1.742 5.796 38 HA ALA 7 HA ALA 7 4.763 -2.123 3.061 39 HB1 ALA 7 HB1 ALA 7 2.946 -4.035 3.656 40 HB2 ALA 7 HB2 ALA 7 4.559 -4.363 3.022 41 HB3 ALA 7 HB3 ALA 7 4.254 -4.471 4.755 42 H GLU 8 H GLU 8 2.464 -1.805 2.466 43 HA GLU 8 HA GLU 8 1.118 -0.172 4.507 44 HB2 GLU 8 HB2 GLU 8 0.285 1.190 2.828 45 HB3 GLU 8 HB3 GLU 8 1.865 0.756 2.193 46 HG2 GLU 8 HG2 GLU 8 0.896 -0.879 0.734 47 HG3 GLU 8 HG3 GLU 8 -0.694 -0.642 1.457 48 H GLY 9 H GLY 9 0.830 -3.003 2.575 49 HA2 GLY 9 HA2 GLY 9 -1.021 -4.412 3.771 50 HA3 GLY 9 HA3 GLY 9 -2.057 -3.185 3.057 51 H ILE 10 H ILE 10 -0.338 -2.984 0.658 52 HA ILE 10 HA ILE 10 -1.670 -4.908 -0.934 53 HB ILE 10 HB ILE 10 0.789 -3.413 -1.808 54 HG12 ILE 10 HG12 ILE 10 -0.538 -1.717 -0.783 55 HG13 ILE 10 HG13 ILE 10 -0.833 -1.600 -2.514 56 HG21 ILE 10 HG21 ILE 10 -1.011 -3.347 -3.846 57 HG22 ILE 10 HG22 ILE 10 0.252 -4.562 -3.658 58 HG23 ILE 10 HG23 ILE 10 -1.384 -4.899 -3.095 59 HD11 ILE 10 HD11 ILE 10 -2.788 -3.335 -1.626 60 HD12 ILE 10 HD12 ILE 10 -2.675 -2.121 -0.351 61 HD13 ILE 10 HD13 ILE 10 -2.990 -1.627 -2.014 62 H THR 11 H THR 11 -0.667 -6.529 -2.302 63 HA THR 11 HA THR 11 0.788 -8.431 -0.926 64 HB THR 11 HB THR 11 1.049 -8.224 -3.908 65 HG1 THR 11 HG1 THR 11 -1.057 -8.138 -4.040 66 HG21 THR 11 HG21 THR 11 0.619 -10.697 -3.680 67 HG22 THR 11 HG22 THR 11 0.713 -10.477 -1.932 68 HG23 THR 11 HG23 THR 11 2.115 -10.125 -2.943 69 H LEU 12 H LEU 12 1.918 -5.675 -2.726 70 HA LEU 12 HA LEU 12 4.580 -6.454 -3.153 71 HB2 LEU 12 HB2 LEU 12 3.309 -3.753 -2.794 72 HB3 LEU 12 HB3 LEU 12 5.016 -3.961 -3.179 73 HG LEU 12 HG LEU 12 2.762 -4.967 -4.911 74 HD11 LEU 12 HD11 LEU 12 3.555 -3.026 -6.386 75 HD12 LEU 12 HD12 LEU 12 4.252 -2.366 -4.907 76 HD13 LEU 12 HD13 LEU 12 2.515 -2.651 -5.011 77 HD21 LEU 12 HD21 LEU 12 4.473 -5.246 -6.585 78 HD22 LEU 12 HD22 LEU 12 4.938 -6.124 -5.128 79 HD23 LEU 12 HD23 LEU 12 5.693 -4.574 -5.503 80 H LEU 13 H LEU 13 6.444 -6.208 -1.965 81 HA LEU 13 HA LEU 13 6.105 -6.133 0.900 82 HB2 LEU 13 HB2 LEU 13 7.671 -7.704 0.438 83 HB3 LEU 13 HB3 LEU 13 8.247 -6.862 -0.999 84 HG LEU 13 HG LEU 13 9.530 -5.329 0.408 85 HD11 LEU 13 HD11 LEU 13 8.475 -5.081 2.425 86 HD12 LEU 13 HD12 LEU 13 9.763 -6.200 2.871 87 HD13 LEU 13 HD13 LEU 13 8.132 -6.804 2.584 88 HD21 LEU 13 HD21 LEU 13 11.277 -6.793 0.882 89 HD22 LEU 13 HD22 LEU 13 10.363 -7.637 -0.368 90 HD23 LEU 13 HD23 LEU 13 10.185 -8.107 1.323 91 HA PRO 14 HA PRO 14 8.999 -2.291 0.421 92 HB2 PRO 14 HB2 PRO 14 9.394 -1.340 -2.091 93 HB3 PRO 14 HB3 PRO 14 10.433 -2.566 -1.354 94 HG2 PRO 14 HG2 PRO 14 8.177 -2.911 -3.291 95 HG3 PRO 14 HG3 PRO 14 9.764 -3.700 -3.271 96 HD2 PRO 14 HD2 PRO 14 7.521 -4.914 -2.360 97 HD3 PRO 14 HD3 PRO 14 9.125 -5.225 -1.664 98 H LEU 15 H LEU 15 6.907 -1.608 1.312 99 HA LEU 15 HA LEU 15 5.669 0.433 -0.396 100 HB2 LEU 15 HB2 LEU 15 4.049 -1.234 1.503 101 HB3 LEU 15 HB3 LEU 15 3.480 -0.156 0.230 102 HG LEU 15 HG LEU 15 4.780 -2.854 -0.131 103 HD11 LEU 15 HD11 LEU 15 2.013 -1.929 -0.874 104 HD12 LEU 15 HD12 LEU 15 2.395 -2.794 0.615 105 HD13 LEU 15 HD13 LEU 15 2.660 -3.569 -0.947 106 HD21 LEU 15 HD21 LEU 15 4.750 -0.623 -1.883 107 HD22 LEU 15 HD22 LEU 15 3.642 -1.836 -2.525 108 HD23 LEU 15 HD23 LEU 15 5.323 -2.261 -2.197 109 H CYS 16 H CYS 16 3.850 1.448 1.388 110 HA CYS 16 HA CYS 16 5.250 3.257 2.875 111 HB2 CYS 16 HB2 CYS 16 2.778 3.281 2.401 112 HB3 CYS 16 HB3 CYS 16 2.575 2.128 3.716 113 H PHE 17 H PHE 17 5.734 3.497 5.105 114 HA PHE 17 HA PHE 17 7.049 1.363 6.288 115 HB2 PHE 17 HB2 PHE 17 5.916 3.864 7.553 116 HB3 PHE 17 HB3 PHE 17 7.001 2.751 8.379 117 HD1 PHE 17 HD1 PHE 17 9.332 2.792 7.992 118 HD2 PHE 17 HD2 PHE 17 6.721 5.133 5.580 119 HE1 PHE 17 HE1 PHE 17 11.270 3.989 7.062 120 HE2 PHE 17 HE2 PHE 17 8.655 6.333 4.645 121 HZ PHE 17 HZ PHE 17 10.933 5.761 5.385 122 H LYS 18 H LYS 18 6.543 0.526 8.557 123 HA LYS 18 HA LYS 18 4.149 -0.978 8.439 124 HB2 LYS 18 HB2 LYS 18 5.703 -2.137 9.638 125 HB3 LYS 18 HB3 LYS 18 6.408 -0.684 10.332 126 HG2 LYS 18 HG2 LYS 18 4.751 -0.550 11.999 127 HG3 LYS 18 HG3 LYS 18 3.725 -1.730 11.180 128 HD2 LYS 18 HD2 LYS 18 4.652 -3.047 12.813 129 HD3 LYS 18 HD3 LYS 18 5.817 -3.290 11.509 130 HE2 LYS 18 HE2 LYS 18 7.238 -2.822 13.241 131 HE3 LYS 18 HE3 LYS 18 6.977 -1.198 12.606 132 HZ1 LYS 18 HZ1 LYS 18 4.992 -1.881 14.521 133 HZ2 LYS 18 HZ2 LYS 18 6.063 -0.571 14.510 134 HZ3 LYS 18 HZ3 LYS 18 6.541 -2.048 15.183 135 HA PRO 19 HA PRO 19 2.640 1.830 12.072 136 HB2 PRO 19 HB2 PRO 19 4.082 4.072 12.589 137 HB3 PRO 19 HB3 PRO 19 4.413 2.517 13.361 138 HG2 PRO 19 HG2 PRO 19 5.780 3.804 11.030 139 HG3 PRO 19 HG3 PRO 19 6.491 2.949 12.411 140 HD2 PRO 19 HD2 PRO 19 6.169 1.785 9.988 141 HD3 PRO 19 HD3 PRO 19 6.066 0.872 11.507 142 H ILE 20 H ILE 20 4.381 3.854 9.701 143 HA ILE 20 HA ILE 20 2.557 5.913 9.473 144 HB ILE 20 HB ILE 20 4.200 4.747 7.222 145 HG12 ILE 20 HG12 ILE 20 5.601 5.282 9.146 146 HG13 ILE 20 HG13 ILE 20 5.872 6.452 7.859 147 HG21 ILE 20 HG21 ILE 20 2.475 6.271 6.436 148 HG22 ILE 20 HG22 ILE 20 3.011 7.494 7.586 149 HG23 ILE 20 HG23 ILE 20 4.071 7.001 6.266 150 HD11 ILE 20 HD11 ILE 20 4.305 6.837 10.391 151 HD12 ILE 20 HD12 ILE 20 5.795 7.644 9.899 152 HD13 ILE 20 HD13 ILE 20 4.287 7.981 9.048 153 H CYS 21 H CYS 21 2.383 2.679 8.208 154 HA CYS 21 HA CYS 21 -0.337 3.207 7.292 155 HB2 CYS 21 HB2 CYS 21 1.840 2.027 5.562 156 HB3 CYS 21 HB3 CYS 21 0.125 1.867 5.197 157 H ILE 22 H ILE 22 -1.043 1.979 9.047 158 HA ILE 22 HA ILE 22 -0.200 -0.823 9.160 159 HB ILE 22 HB ILE 22 -1.937 0.725 11.086 160 HG12 ILE 22 HG12 ILE 22 0.955 -0.121 11.361 161 HG13 ILE 22 HG13 ILE 22 0.426 1.511 10.966 162 HG21 ILE 22 HG21 ILE 22 -1.664 -1.158 12.577 163 HG22 ILE 22 HG22 ILE 22 -2.356 -1.704 11.050 164 HG23 ILE 22 HG23 ILE 22 -0.649 -1.983 11.394 165 HD11 ILE 22 HD11 ILE 22 0.881 1.556 13.252 166 HD12 ILE 22 HD12 ILE 22 -0.876 1.432 13.152 167 HD13 ILE 22 HD13 ILE 22 0.089 0.005 13.531 168 HA PRO 23 HA PRO 23 -3.866 -2.095 7.037 169 HB2 PRO 23 HB2 PRO 23 -3.706 -4.741 7.625 170 HB3 PRO 23 HB3 PRO 23 -2.668 -3.959 6.427 171 HG2 PRO 23 HG2 PRO 23 -2.072 -4.669 9.273 172 HG3 PRO 23 HG3 PRO 23 -1.052 -4.861 7.835 173 HD2 PRO 23 HD2 PRO 23 -0.736 -2.817 9.583 174 HD3 PRO 23 HD3 PRO 23 -0.401 -2.650 7.848 175 H THR 24 H THR 24 -3.295 -3.516 10.261 176 HA THR 24 HA THR 24 -5.987 -4.127 10.800 177 HB THR 24 HB THR 24 -5.320 -4.351 13.139 178 HG1 THR 24 HG1 THR 24 -3.854 -2.952 13.765 179 HG21 THR 24 HG21 THR 24 -2.955 -5.378 11.630 180 HG22 THR 24 HG22 THR 24 -4.565 -5.971 11.220 181 HG23 THR 24 HG23 THR 24 -3.939 -6.177 12.855 182 H LEU 25 H LEU 25 -4.254 -1.157 10.893 183 HA LEU 25 HA LEU 25 -4.851 0.975 11.408 184 HB2 LEU 25 HB2 LEU 25 -7.494 -0.357 11.026 185 HB3 LEU 25 HB3 LEU 25 -7.438 1.294 11.641 186 HG LEU 25 HG LEU 25 -6.244 0.398 9.019 187 HD11 LEU 25 HD11 LEU 25 -8.616 2.169 9.156 188 HD12 LEU 25 HD12 LEU 25 -8.865 0.448 9.450 189 HD13 LEU 25 HD13 LEU 25 -8.147 0.988 7.932 190 HD21 LEU 25 HD21 LEU 25 -6.697 3.140 10.192 191 HD22 LEU 25 HD22 LEU 25 -6.090 2.800 8.571 192 HD23 LEU 25 HD23 LEU 25 -5.138 2.341 9.984 193 HA PRO 26 HA PRO 26 -5.180 1.343 15.768 194 HB2 PRO 26 HB2 PRO 26 -6.270 3.811 16.060 195 HB3 PRO 26 HB3 PRO 26 -4.604 3.554 15.527 196 HG2 PRO 26 HG2 PRO 26 -7.044 4.147 13.897 197 HG3 PRO 26 HG3 PRO 26 -5.409 4.816 13.747 198 HD2 PRO 26 HD2 PRO 26 -6.331 2.847 12.133 199 HD3 PRO 26 HD3 PRO 26 -4.624 2.974 12.605 200 HA PRO 27 HA PRO 27 -9.161 0.294 17.311 201 HB2 PRO 27 HB2 PRO 27 -9.184 1.467 19.760 202 HB3 PRO 27 HB3 PRO 27 -8.199 0.049 19.383 203 HG2 PRO 27 HG2 PRO 27 -7.403 2.932 19.500 204 HG3 PRO 27 HG3 PRO 27 -6.545 1.509 20.118 205 HD2 PRO 27 HD2 PRO 27 -5.883 2.708 17.782 206 HD3 PRO 27 HD3 PRO 27 -5.699 0.962 18.045 207 H LEU 28 H LEU 28 -11.147 1.296 18.473 208 HA LEU 28 HA LEU 28 -12.911 2.727 18.375 209 HB2 LEU 28 HB2 LEU 28 -10.575 4.356 18.814 210 HB3 LEU 28 HB3 LEU 28 -11.777 5.234 17.872 211 HG LEU 28 HG LEU 28 -11.990 5.700 20.257 212 HD11 LEU 28 HD11 LEU 28 -14.438 4.372 20.265 213 HD12 LEU 28 HD12 LEU 28 -14.074 4.654 18.563 214 HD13 LEU 28 HD13 LEU 28 -14.114 6.008 19.692 215 HD21 LEU 28 HD21 LEU 28 -11.141 3.362 20.888 216 HD22 LEU 28 HD22 LEU 28 -12.816 2.849 20.688 217 HD23 LEU 28 HD23 LEU 28 -12.408 4.080 21.883 218 H THR 29 H THR 29 -11.528 1.666 15.877 219 HA THR 29 HA THR 29 -12.506 3.634 13.928 220 HB THR 29 HB THR 29 -10.817 1.179 13.411 221 HG1 THR 29 HG1 THR 29 -10.123 3.908 13.819 222 HG21 THR 29 HG21 THR 29 -12.256 2.908 11.677 223 HG22 THR 29 HG22 THR 29 -11.161 1.593 11.250 224 HG23 THR 29 HG23 THR 29 -10.537 3.230 11.456 225 H GLY 30 H GLY 30 -14.714 2.885 14.689 226 HA2 GLY 30 HA2 GLY 30 -16.600 2.004 13.500 227 HA3 GLY 30 HA3 GLY 30 -15.578 0.694 12.926 228 H GLY 31 H GLY 31 -15.428 1.649 16.259 229 HA2 GLY 31 HA2 GLY 31 -16.471 0.728 18.142 230 HA3 GLY 31 HA3 GLY 31 -17.325 -0.394 17.094 231 H HIS 32 H HIS 32 -13.866 0.061 16.918 232 HA HIS 32 HA HIS 32 -13.352 -2.706 17.218 233 HB2 HIS 32 HB2 HIS 32 -11.953 -0.758 16.092 234 HB3 HIS 32 HB3 HIS 32 -11.190 -0.698 17.678 235 HD1 HIS 32 HD1 HIS 32 -10.037 -1.755 14.795 236 HD2 HIS 32 HD2 HIS 32 -11.049 -3.986 18.151 237 HE1 HIS 32 HE1 HIS 32 -8.730 -3.895 14.599 238 H ALA 33 H ALA 33 -13.902 -3.626 19.118 239 HA ALA 33 HA ALA 33 -13.835 -4.187 21.323 240 HB1 ALA 33 HB1 ALA 33 -11.307 -2.545 21.391 241 HB2 ALA 33 HB2 ALA 33 -11.786 -3.806 22.529 242 HB3 ALA 33 HB3 ALA 33 -11.403 -4.224 20.859 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 2.397 -0.428 0.985 2 HA2 GLY 1 HA2 GLY 1 3.603 -1.487 -0.707 3 HA3 GLY 1 HA3 GLY 1 2.088 -1.902 -1.495 4 H VAL 2 H VAL 2 3.715 1.139 -0.580 5 HA VAL 2 HA VAL 2 3.901 1.924 -3.361 6 HB VAL 2 HB VAL 2 2.750 4.144 -2.846 7 HG11 VAL 2 HG11 VAL 2 0.779 3.385 -3.765 8 HG12 VAL 2 HG12 VAL 2 1.877 2.063 -4.163 9 HG13 VAL 2 HG13 VAL 2 0.770 1.911 -2.798 10 HG21 VAL 2 HG21 VAL 2 2.570 4.023 -0.471 11 HG22 VAL 2 HG22 VAL 2 0.935 3.958 -1.128 12 HG23 VAL 2 HG23 VAL 2 1.715 2.483 -0.555 13 H LEU 3 H LEU 3 4.157 3.007 0.014 14 HA LEU 3 HA LEU 3 6.882 3.545 -0.062 15 HB2 LEU 3 HB2 LEU 3 6.709 5.326 -1.504 16 HB3 LEU 3 HB3 LEU 3 5.122 5.797 -0.900 17 HG LEU 3 HG LEU 3 6.203 6.691 1.137 18 HD11 LEU 3 HD11 LEU 3 8.871 6.889 0.111 19 HD12 LEU 3 HD12 LEU 3 8.397 5.195 0.235 20 HD13 LEU 3 HD13 LEU 3 8.310 6.240 1.652 21 HD21 LEU 3 HD21 LEU 3 5.969 7.850 -1.303 22 HD22 LEU 3 HD22 LEU 3 7.690 8.075 -0.985 23 HD23 LEU 3 HD23 LEU 3 6.493 8.691 0.156 24 H GLY 4 H GLY 4 7.590 3.735 1.982 25 HA2 GLY 4 HA2 GLY 4 6.416 5.225 4.028 26 HA3 GLY 4 HA3 GLY 4 5.773 3.593 4.142 27 H ASN 5 H ASN 5 6.804 2.386 5.572 28 HA ASN 5 HA ASN 5 9.705 2.332 5.611 29 HB2 ASN 5 HB2 ASN 5 9.167 4.133 7.201 30 HB3 ASN 5 HB3 ASN 5 8.121 3.033 8.093 31 HD21 ASN 5 HD21 ASN 5 9.187 2.976 9.989 32 HD22 ASN 5 HD22 ASN 5 10.797 2.378 10.184 33 H ASP 6 H ASP 6 7.204 1.325 7.934 34 HA ASP 6 HA ASP 6 8.286 -1.225 8.361 35 HB2 ASP 6 HB2 ASP 6 6.791 -0.310 9.991 36 HB3 ASP 6 HB3 ASP 6 5.503 -0.139 8.802 37 H ALA 7 H ALA 7 4.987 -1.019 7.173 38 HA ALA 7 HA ALA 7 5.333 -2.001 4.593 39 HB1 ALA 7 HB1 ALA 7 5.525 -4.043 6.698 40 HB2 ALA 7 HB2 ALA 7 4.422 -4.425 5.375 41 HB3 ALA 7 HB3 ALA 7 6.114 -4.063 5.036 42 H GLU 8 H GLU 8 3.288 -3.009 3.715 43 HA GLU 8 HA GLU 8 0.951 -2.021 5.214 44 HB2 GLU 8 HB2 GLU 8 0.018 -1.103 3.306 45 HB3 GLU 8 HB3 GLU 8 1.727 -0.774 3.059 46 HG2 GLU 8 HG2 GLU 8 1.908 -2.687 1.580 47 HG3 GLU 8 HG3 GLU 8 0.214 -3.084 1.862 48 H GLY 9 H GLY 9 2.471 -4.691 3.890 49 HA2 GLY 9 HA2 GLY 9 0.980 -6.705 4.669 50 HA3 GLY 9 HA3 GLY 9 -0.021 -6.131 3.344 51 H ILE 10 H ILE 10 2.495 -5.324 1.879 52 HA ILE 10 HA ILE 10 2.929 -7.916 0.632 53 HB ILE 10 HB ILE 10 4.294 -5.453 -0.342 54 HG12 ILE 10 HG12 ILE 10 2.070 -4.622 0.162 55 HG13 ILE 10 HG13 ILE 10 2.240 -4.805 -1.581 56 HG21 ILE 10 HG21 ILE 10 4.725 -6.876 -1.993 57 HG22 ILE 10 HG22 ILE 10 3.629 -8.078 -1.313 58 HG23 ILE 10 HG23 ILE 10 3.010 -6.836 -2.402 59 HD11 ILE 10 HD11 ILE 10 1.205 -7.231 -0.579 60 HD12 ILE 10 HD12 ILE 10 0.283 -5.914 0.147 61 HD13 ILE 10 HD13 ILE 10 0.412 -6.038 -1.608 62 H THR 11 H THR 11 5.190 -8.430 -0.113 63 HA THR 11 HA THR 11 7.024 -8.057 2.146 64 HB THR 11 HB THR 11 7.218 -10.076 -0.095 65 HG1 THR 11 HG1 THR 11 6.356 -10.535 2.577 66 HG21 THR 11 HG21 THR 11 8.810 -9.499 2.356 67 HG22 THR 11 HG22 THR 11 9.347 -10.021 0.758 68 HG23 THR 11 HG23 THR 11 8.609 -11.180 1.863 69 H LEU 12 H LEU 12 6.528 -7.097 -1.077 70 HA LEU 12 HA LEU 12 9.049 -6.854 -2.154 71 HB2 LEU 12 HB2 LEU 12 6.806 -4.848 -2.344 72 HB3 LEU 12 HB3 LEU 12 8.182 -4.964 -3.439 73 HG LEU 12 HG LEU 12 6.388 -7.326 -3.127 74 HD11 LEU 12 HD11 LEU 12 4.878 -6.486 -4.815 75 HD12 LEU 12 HD12 LEU 12 5.761 -4.961 -4.888 76 HD13 LEU 12 HD13 LEU 12 4.880 -5.401 -3.425 77 HD21 LEU 12 HD21 LEU 12 8.339 -7.637 -4.459 78 HD22 LEU 12 HD22 LEU 12 8.044 -6.143 -5.348 79 HD23 LEU 12 HD23 LEU 12 6.963 -7.522 -5.556 80 H LEU 13 H LEU 13 10.268 -4.745 -2.476 81 HA LEU 13 HA LEU 13 11.168 -3.828 0.063 82 HB2 LEU 13 HB2 LEU 13 12.901 -3.789 -1.395 83 HB3 LEU 13 HB3 LEU 13 11.877 -3.378 -2.769 84 HG LEU 13 HG LEU 13 11.824 -1.042 -2.022 85 HD11 LEU 13 HD11 LEU 13 13.905 -1.756 0.019 86 HD12 LEU 13 HD12 LEU 13 12.190 -1.679 0.417 87 HD13 LEU 13 HD13 LEU 13 13.022 -0.242 -0.175 88 HD21 LEU 13 HD21 LEU 13 14.617 -2.157 -2.256 89 HD22 LEU 13 HD22 LEU 13 14.131 -0.490 -2.565 90 HD23 LEU 13 HD23 LEU 13 13.540 -1.788 -3.604 91 HA PRO 14 HA PRO 14 9.225 0.391 -1.262 92 HB2 PRO 14 HB2 PRO 14 7.620 0.394 -3.452 93 HB3 PRO 14 HB3 PRO 14 9.363 0.672 -3.538 94 HG2 PRO 14 HG2 PRO 14 7.816 -1.834 -4.073 95 HG3 PRO 14 HG3 PRO 14 9.169 -1.139 -4.984 96 HD2 PRO 14 HD2 PRO 14 9.486 -3.188 -3.242 97 HD3 PRO 14 HD3 PRO 14 10.745 -1.968 -3.520 98 H LEU 15 H LEU 15 8.079 -0.316 0.656 99 HA LEU 15 HA LEU 15 5.259 -0.989 0.128 100 HB2 LEU 15 HB2 LEU 15 7.166 -1.887 2.219 101 HB3 LEU 15 HB3 LEU 15 5.479 -1.677 2.683 102 HG LEU 15 HG LEU 15 6.351 -4.011 1.927 103 HD11 LEU 15 HD11 LEU 15 4.183 -4.455 2.018 104 HD12 LEU 15 HD12 LEU 15 3.929 -3.702 0.444 105 HD13 LEU 15 HD13 LEU 15 3.847 -2.727 1.911 106 HD21 LEU 15 HD21 LEU 15 5.701 -2.792 -0.751 107 HD22 LEU 15 HD22 LEU 15 6.201 -4.451 -0.422 108 HD23 LEU 15 HD23 LEU 15 7.337 -3.123 -0.182 109 H CYS 16 H CYS 16 3.943 -0.362 2.266 110 HA CYS 16 HA CYS 16 4.430 2.509 2.623 111 HB2 CYS 16 HB2 CYS 16 2.164 1.278 1.834 112 HB3 CYS 16 HB3 CYS 16 1.896 1.299 3.574 113 H PHE 17 H PHE 17 3.492 3.323 4.820 114 HA PHE 17 HA PHE 17 5.143 2.276 6.860 115 HB2 PHE 17 HB2 PHE 17 2.842 4.232 6.965 116 HB3 PHE 17 HB3 PHE 17 3.872 3.860 8.344 117 HD1 PHE 17 HD1 PHE 17 6.455 4.117 7.877 118 HD2 PHE 17 HD2 PHE 17 3.374 6.041 5.659 119 HE1 PHE 17 HE1 PHE 17 8.060 5.832 7.143 120 HE2 PHE 17 HE2 PHE 17 4.974 7.759 4.920 121 HZ PHE 17 HZ PHE 17 7.320 7.655 5.662 122 H LYS 18 H LYS 18 4.215 1.737 9.086 123 HA LYS 18 HA LYS 18 2.685 -0.641 8.855 124 HB2 LYS 18 HB2 LYS 18 4.076 -0.807 10.658 125 HB3 LYS 18 HB3 LYS 18 3.941 0.900 11.056 126 HG2 LYS 18 HG2 LYS 18 1.996 0.598 12.271 127 HG3 LYS 18 HG3 LYS 18 1.616 -0.930 11.474 128 HD2 LYS 18 HD2 LYS 18 4.056 -1.418 12.670 129 HD3 LYS 18 HD3 LYS 18 3.215 -0.409 13.850 130 HE2 LYS 18 HE2 LYS 18 2.127 -2.230 14.516 131 HE3 LYS 18 HE3 LYS 18 1.306 -2.238 12.955 132 HZ1 LYS 18 HZ1 LYS 18 3.019 -4.160 13.948 133 HZ2 LYS 18 HZ2 LYS 18 3.888 -3.379 12.725 134 HZ3 LYS 18 HZ3 LYS 18 2.383 -4.071 12.383 135 HA PRO 19 HA PRO 19 -0.801 1.861 11.076 136 HB2 PRO 19 HB2 PRO 19 -0.475 4.550 11.267 137 HB3 PRO 19 HB3 PRO 19 0.099 3.422 12.501 138 HG2 PRO 19 HG2 PRO 19 1.624 4.751 10.295 139 HG3 PRO 19 HG3 PRO 19 2.090 4.509 11.989 140 HD2 PRO 19 HD2 PRO 19 3.003 2.931 9.987 141 HD3 PRO 19 HD3 PRO 19 2.727 2.323 11.632 142 H ILE 20 H ILE 20 0.871 2.950 8.271 143 HA ILE 20 HA ILE 20 -1.584 4.093 7.136 144 HB ILE 20 HB ILE 20 1.160 4.177 5.894 145 HG12 ILE 20 HG12 ILE 20 1.317 5.229 8.083 146 HG13 ILE 20 HG13 ILE 20 1.350 6.464 6.829 147 HG21 ILE 20 HG21 ILE 20 -0.079 4.935 4.192 148 HG22 ILE 20 HG22 ILE 20 -1.488 5.202 5.216 149 HG23 ILE 20 HG23 ILE 20 -0.214 6.418 5.137 150 HD11 ILE 20 HD11 ILE 20 -1.340 6.160 7.511 151 HD12 ILE 20 HD12 ILE 20 -0.450 6.156 9.034 152 HD13 ILE 20 HD13 ILE 20 -0.270 7.503 7.910 153 H CYS 21 H CYS 21 -2.314 3.447 5.062 154 HA CYS 21 HA CYS 21 -2.893 1.932 3.469 155 HB2 CYS 21 HB2 CYS 21 -0.053 0.944 3.802 156 HB3 CYS 21 HB3 CYS 21 -1.113 0.617 2.435 157 H ILE 22 H ILE 22 -4.073 1.191 5.591 158 HA ILE 22 HA ILE 22 -3.308 -1.569 6.242 159 HB ILE 22 HB ILE 22 -5.290 0.229 7.643 160 HG12 ILE 22 HG12 ILE 22 -2.505 -0.611 8.476 161 HG13 ILE 22 HG13 ILE 22 -2.938 0.979 7.858 162 HG21 ILE 22 HG21 ILE 22 -5.343 -1.461 9.370 163 HG22 ILE 22 HG22 ILE 22 -5.786 -2.180 7.823 164 HG23 ILE 22 HG23 ILE 22 -4.173 -2.441 8.487 165 HD11 ILE 22 HD11 ILE 22 -2.933 0.124 10.511 166 HD12 ILE 22 HD12 ILE 22 -3.546 1.650 9.874 167 HD13 ILE 22 HD13 ILE 22 -4.632 0.273 10.063 168 HA PRO 23 HA PRO 23 -6.603 -3.049 3.689 169 HB2 PRO 23 HB2 PRO 23 -6.632 -5.603 4.608 170 HB3 PRO 23 HB3 PRO 23 -5.382 -4.988 3.520 171 HG2 PRO 23 HG2 PRO 23 -5.298 -5.349 6.490 172 HG3 PRO 23 HG3 PRO 23 -4.057 -5.728 5.282 173 HD2 PRO 23 HD2 PRO 23 -3.973 -3.489 6.801 174 HD3 PRO 23 HD3 PRO 23 -3.345 -3.541 5.142 175 H THR 24 H THR 24 -6.622 -4.003 7.125 176 HA THR 24 HA THR 24 -9.515 -4.198 7.124 177 HB THR 24 HB THR 24 -7.931 -4.332 9.651 178 HG1 THR 24 HG1 THR 24 -7.415 -6.536 9.113 179 HG21 THR 24 HG21 THR 24 -9.699 -5.504 10.419 180 HG22 THR 24 HG22 THR 24 -9.868 -6.420 8.922 181 HG23 THR 24 HG23 THR 24 -10.539 -4.794 9.041 182 H LEU 25 H LEU 25 -7.542 -1.653 7.142 183 HA LEU 25 HA LEU 25 -7.722 0.522 7.777 184 HB2 LEU 25 HB2 LEU 25 -10.481 -0.514 7.971 185 HB3 LEU 25 HB3 LEU 25 -10.156 1.000 8.812 186 HG LEU 25 HG LEU 25 -9.089 1.189 6.178 187 HD11 LEU 25 HD11 LEU 25 -11.686 -0.202 6.383 188 HD12 LEU 25 HD12 LEU 25 -10.466 -0.250 5.111 189 HD13 LEU 25 HD13 LEU 25 -11.581 1.112 5.212 190 HD21 LEU 25 HD21 LEU 25 -9.677 3.169 7.208 191 HD22 LEU 25 HD22 LEU 25 -11.208 2.527 7.805 192 HD23 LEU 25 HD23 LEU 25 -11.025 2.926 6.096 193 HA PRO 26 HA PRO 26 -6.811 0.841 12.056 194 HB2 PRO 26 HB2 PRO 26 -7.531 3.396 12.625 195 HB3 PRO 26 HB3 PRO 26 -6.110 2.992 11.654 196 HG2 PRO 26 HG2 PRO 26 -8.835 3.851 10.759 197 HG3 PRO 26 HG3 PRO 26 -7.247 4.363 10.159 198 HD2 PRO 26 HD2 PRO 26 -8.767 2.528 8.874 199 HD3 PRO 26 HD3 PRO 26 -6.992 2.480 8.854 200 HA PRO 27 HA PRO 27 -10.839 -0.210 13.803 201 HB2 PRO 27 HB2 PRO 27 -9.816 -1.528 15.945 202 HB3 PRO 27 HB3 PRO 27 -9.945 -2.257 14.339 203 HG2 PRO 27 HG2 PRO 27 -7.568 -1.017 15.671 204 HG3 PRO 27 HG3 PRO 27 -7.665 -2.509 14.716 205 HD2 PRO 27 HD2 PRO 27 -6.743 -0.179 13.690 206 HD3 PRO 27 HD3 PRO 27 -7.612 -1.376 12.709 207 H LEU 28 H LEU 28 -11.499 -0.172 16.300 208 HA LEU 28 HA LEU 28 -10.658 2.461 17.315 209 HB2 LEU 28 HB2 LEU 28 -12.979 2.416 16.646 210 HB3 LEU 28 HB3 LEU 28 -13.267 0.988 17.637 211 HG LEU 28 HG LEU 28 -12.766 2.380 19.652 212 HD11 LEU 28 HD11 LEU 28 -11.580 4.231 19.105 213 HD12 LEU 28 HD12 LEU 28 -13.196 4.929 18.999 214 HD13 LEU 28 HD13 LEU 28 -12.363 4.408 17.534 215 HD21 LEU 28 HD21 LEU 28 -14.960 2.720 19.834 216 HD22 LEU 28 HD22 LEU 28 -15.089 2.149 18.171 217 HD23 LEU 28 HD23 LEU 28 -14.971 3.877 18.503 218 H THR 29 H THR 29 -11.354 -0.872 18.182 219 HA THR 29 HA THR 29 -11.012 -0.596 20.976 220 HB THR 29 HB THR 29 -10.635 -3.041 19.235 221 HG1 THR 29 HG1 THR 29 -12.772 -3.482 19.847 222 HG21 THR 29 HG21 THR 29 -11.451 -3.772 21.814 223 HG22 THR 29 HG22 THR 29 -10.148 -2.605 22.041 224 HG23 THR 29 HG23 THR 29 -9.878 -4.053 21.071 225 H GLY 30 H GLY 30 -8.779 -1.419 18.352 226 HA2 GLY 30 HA2 GLY 30 -6.564 -1.456 20.286 227 HA3 GLY 30 HA3 GLY 30 -6.506 -2.104 18.654 228 H GLY 31 H GLY 31 -7.964 0.993 19.144 229 HA2 GLY 31 HA2 GLY 31 -5.646 2.221 17.799 230 HA3 GLY 31 HA3 GLY 31 -7.300 2.808 17.699 231 H HIS 32 H HIS 32 -7.613 2.361 20.655 232 HA HIS 32 HA HIS 32 -6.222 4.813 21.501 233 HB2 HIS 32 HB2 HIS 32 -8.706 4.906 21.482 234 HB3 HIS 32 HB3 HIS 32 -8.738 3.591 22.654 235 HD1 HIS 32 HD1 HIS 32 -6.684 6.798 22.616 236 HD2 HIS 32 HD2 HIS 32 -9.414 4.759 24.994 237 HE1 HIS 32 HE1 HIS 32 -6.879 8.151 24.727 238 H ALA 33 H ALA 33 -4.316 3.852 22.212 239 HA ALA 33 HA ALA 33 -4.174 1.596 23.893 240 HB1 ALA 33 HB1 ALA 33 -2.215 3.860 23.528 241 HB2 ALA 33 HB2 ALA 33 -1.867 2.340 24.354 242 HB3 ALA 33 HB3 ALA 33 -2.251 2.340 22.633
Contact the webmaster for help, if required. Wednesday, May 8, 2024 6:13:50 AM GMT (wattos1)