NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
575957 | 2mkb | 19765 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA HIS 1 HA HIS 1 -20.430 -0.053 6.078 2 HB2 HIS 1 HB2 HIS 1 -22.443 1.863 5.218 3 HB3 HIS 1 HB3 HIS 1 -21.735 1.039 3.830 4 HD1 HIS 1 HD1 HIS 1 -24.132 0.568 6.557 5 HD2 HIS 1 HD2 HIS 1 -21.859 -1.915 4.097 6 HE1 HIS 1 HE1 HIS 1 -25.138 -1.747 6.751 7 H ALA 2 H ALA 2 -18.577 -0.580 4.985 8 HA ALA 2 HA ALA 2 -17.666 1.033 2.691 9 HB1 ALA 2 HB1 ALA 2 -15.408 1.350 3.796 10 HB2 ALA 2 HB2 ALA 2 -16.136 0.784 5.298 11 HB3 ALA 2 HB3 ALA 2 -16.714 2.268 4.542 12 H TRP 3 H TRP 3 -17.492 -0.696 1.288 13 HA TRP 3 HA TRP 3 -16.214 -3.222 2.242 14 HB2 TRP 3 HB2 TRP 3 -18.416 -2.526 0.581 15 HB3 TRP 3 HB3 TRP 3 -17.217 -3.295 -0.458 16 HD1 TRP 3 HD1 TRP 3 -16.556 -5.810 0.051 17 HE1 TRP 3 HE1 TRP 3 -17.723 -7.660 1.414 18 HE3 TRP 3 HE3 TRP 3 -19.902 -2.990 2.688 19 HZ2 TRP 3 HZ2 TRP 3 -19.801 -7.913 3.364 20 HZ3 TRP 3 HZ3 TRP 3 -21.461 -4.061 4.288 21 HH2 TRP 3 HH2 TRP 3 -21.415 -6.516 4.630 22 H TYR 4 H TYR 4 -15.708 -0.517 0.043 23 HA TYR 4 HA TYR 4 -13.353 -1.890 -1.161 24 HB2 TYR 4 HB2 TYR 4 -13.522 -0.163 -2.874 25 HB3 TYR 4 HB3 TYR 4 -15.117 -0.854 -2.601 26 HD1 TYR 4 HD1 TYR 4 -12.963 2.103 -2.059 27 HD2 TYR 4 HD2 TYR 4 -16.898 0.447 -1.566 28 HE1 TYR 4 HE1 TYR 4 -13.851 4.361 -1.554 29 HE2 TYR 4 HE2 TYR 4 -17.783 2.706 -1.057 30 HH TYR 4 HH TYR 4 -16.535 5.384 -1.826 31 H SER 5 H SER 5 -13.703 -0.321 1.601 32 HA SER 5 HA SER 5 -11.745 1.838 1.363 33 HB2 SER 5 HB2 SER 5 -13.779 1.220 3.060 34 HB3 SER 5 HB3 SER 5 -12.404 0.650 3.999 35 HG SER 5 HG SER 5 -13.238 3.146 3.614 36 H HIS 6 H HIS 6 -11.615 -1.588 1.995 37 HA HIS 6 HA HIS 6 -8.994 -1.522 3.306 38 HB2 HIS 6 HB2 HIS 6 -10.758 -3.227 3.757 39 HB3 HIS 6 HB3 HIS 6 -10.593 -3.801 2.097 40 HD1 HIS 6 HD1 HIS 6 -9.200 -5.868 2.045 41 HD2 HIS 6 HD2 HIS 6 -7.831 -3.181 4.926 42 HE1 HIS 6 HE1 HIS 6 -7.140 -6.914 3.079 43 H TYR 7 H TYR 7 -10.217 -1.871 0.029 44 HA TYR 7 HA TYR 7 -7.873 -3.031 -1.163 45 HB2 TYR 7 HB2 TYR 7 -10.041 -1.212 -2.264 46 HB3 TYR 7 HB3 TYR 7 -8.892 -2.101 -3.262 47 HD1 TYR 7 HD1 TYR 7 -8.682 -4.709 -2.032 48 HD2 TYR 7 HD2 TYR 7 -12.141 -2.203 -2.470 49 HE1 TYR 7 HE1 TYR 7 -10.144 -6.708 -1.921 50 HE2 TYR 7 HE2 TYR 7 -13.604 -4.201 -2.357 51 HH TYR 7 HH TYR 7 -13.056 -6.813 -1.158 52 H VAL 8 H VAL 8 -8.923 0.360 -0.822 53 HA VAL 8 HA VAL 8 -6.587 1.512 -2.045 54 HB VAL 8 HB VAL 8 -8.803 2.628 -1.683 55 HG11 VAL 8 HG11 VAL 8 -9.266 3.580 0.566 56 HG12 VAL 8 HG12 VAL 8 -7.879 2.700 1.207 57 HG13 VAL 8 HG13 VAL 8 -9.272 1.817 0.580 58 HG21 VAL 8 HG21 VAL 8 -6.944 4.064 -2.180 59 HG22 VAL 8 HG22 VAL 8 -6.328 3.940 -0.532 60 HG23 VAL 8 HG23 VAL 8 -7.823 4.820 -0.851 61 H LEU 9 H LEU 9 -7.299 0.381 1.209 62 HA LEU 9 HA LEU 9 -4.916 1.582 2.424 63 HB2 LEU 9 HB2 LEU 9 -7.343 0.586 3.291 64 HB3 LEU 9 HB3 LEU 9 -6.237 -0.710 3.739 65 HG LEU 9 HG LEU 9 -6.444 0.914 5.573 66 HD11 LEU 9 HD11 LEU 9 -4.088 1.303 5.951 67 HD12 LEU 9 HD12 LEU 9 -3.746 1.215 4.223 68 HD13 LEU 9 HD13 LEU 9 -4.250 -0.232 5.097 69 HD21 LEU 9 HD21 LEU 9 -5.198 2.959 3.720 70 HD22 LEU 9 HD22 LEU 9 -5.884 3.222 5.323 71 HD23 LEU 9 HD23 LEU 9 -6.942 2.846 3.963 72 H LYS 10 H LYS 10 -5.899 -1.646 1.237 73 HA LYS 10 HA LYS 10 -3.470 -3.006 2.026 74 HB2 LYS 10 HB2 LYS 10 -5.757 -3.976 1.454 75 HB3 LYS 10 HB3 LYS 10 -5.375 -3.670 -0.241 76 HG2 LYS 10 HG2 LYS 10 -4.756 -5.944 0.176 77 HG3 LYS 10 HG3 LYS 10 -3.249 -5.030 0.121 78 HD2 LYS 10 HD2 LYS 10 -3.733 -4.798 2.741 79 HD3 LYS 10 HD3 LYS 10 -4.613 -6.301 2.455 80 HE2 LYS 10 HE2 LYS 10 -2.562 -7.253 1.373 81 HE3 LYS 10 HE3 LYS 10 -1.688 -5.774 1.814 82 HZ1 LYS 10 HZ1 LYS 10 -2.224 -6.139 4.119 83 HZ2 LYS 10 HZ2 LYS 10 -1.473 -7.535 3.508 84 HZ3 LYS 10 HZ3 LYS 10 -3.155 -7.505 3.737 85 H PHE 11 H PHE 11 -4.558 -1.502 -1.035 86 HA PHE 11 HA PHE 11 -2.223 -2.151 -2.584 87 HB2 PHE 11 HB2 PHE 11 -4.390 -1.428 -3.515 88 HB3 PHE 11 HB3 PHE 11 -4.212 0.146 -2.741 89 HD1 PHE 11 HD1 PHE 11 -2.916 -2.081 -5.398 90 HD2 PHE 11 HD2 PHE 11 -2.714 1.827 -3.625 91 HE1 PHE 11 HE1 PHE 11 -1.631 -1.260 -7.353 92 HE2 PHE 11 HE2 PHE 11 -1.429 2.648 -5.580 93 HZ PHE 11 HZ PHE 11 -0.888 1.105 -7.445 94 H PHE 12 H PHE 12 -3.078 0.701 -0.595 95 HA PHE 12 HA PHE 12 -0.728 2.251 -1.153 96 HB2 PHE 12 HB2 PHE 12 -2.970 2.879 -0.032 97 HB3 PHE 12 HB3 PHE 12 -2.280 2.211 1.447 98 HD1 PHE 12 HD1 PHE 12 -0.079 3.156 2.309 99 HD2 PHE 12 HD2 PHE 12 -2.367 5.042 -0.799 100 HE1 PHE 12 HE1 PHE 12 1.152 5.276 2.691 101 HE2 PHE 12 HE2 PHE 12 -1.137 7.163 -0.417 102 HZ PHE 12 HZ PHE 12 0.621 7.279 1.327 103 H LEU 13 H LEU 13 -1.464 -0.135 1.415 104 HA LEU 13 HA LEU 13 0.969 0.116 2.896 105 HB2 LEU 13 HB2 LEU 13 -1.242 -1.104 3.421 106 HB3 LEU 13 HB3 LEU 13 -0.604 -2.433 2.452 107 HG LEU 13 HG LEU 13 1.533 -1.891 4.074 108 HD11 LEU 13 HD11 LEU 13 0.665 -1.618 6.359 109 HD12 LEU 13 HD12 LEU 13 -0.979 -1.494 5.731 110 HD13 LEU 13 HD13 LEU 13 0.204 -0.240 5.359 111 HD21 LEU 13 HD21 LEU 13 0.893 -3.919 5.270 112 HD22 LEU 13 HD22 LEU 13 0.462 -4.097 3.570 113 HD23 LEU 13 HD23 LEU 13 -0.784 -3.726 4.762 114 H LEU 14 H LEU 14 0.160 -1.754 -0.016 115 HA LEU 14 HA LEU 14 2.596 -3.318 -0.088 116 HB2 LEU 14 HB2 LEU 14 0.293 -3.667 -1.228 117 HB3 LEU 14 HB3 LEU 14 0.872 -2.525 -2.441 118 HG LEU 14 HG LEU 14 2.765 -4.698 -1.743 119 HD11 LEU 14 HD11 LEU 14 0.540 -5.858 -1.756 120 HD12 LEU 14 HD12 LEU 14 1.608 -6.385 -3.056 121 HD13 LEU 14 HD13 LEU 14 0.288 -5.267 -3.400 122 HD21 LEU 14 HD21 LEU 14 1.740 -3.725 -4.425 123 HD22 LEU 14 HD22 LEU 14 3.249 -4.575 -4.094 124 HD23 LEU 14 HD23 LEU 14 3.034 -2.915 -3.541 125 H VAL 15 H VAL 15 1.555 -0.325 -1.714 126 HA VAL 15 HA VAL 15 4.058 0.048 -3.157 127 HB VAL 15 HB VAL 15 1.700 1.849 -2.501 128 HG11 VAL 15 HG11 VAL 15 3.374 3.397 -3.045 129 HG12 VAL 15 HG12 VAL 15 2.654 3.062 -4.620 130 HG13 VAL 15 HG13 VAL 15 4.172 2.288 -4.162 131 HG21 VAL 15 HG21 VAL 15 2.464 0.122 -4.868 132 HG22 VAL 15 HG22 VAL 15 1.251 1.397 -4.984 133 HG23 VAL 15 HG23 VAL 15 0.998 0.035 -3.892 134 H PHE 16 H PHE 16 2.619 1.532 -0.231 135 HA PHE 16 HA PHE 16 4.826 3.308 0.320 136 HB2 PHE 16 HB2 PHE 16 2.387 3.307 1.163 137 HB3 PHE 16 HB3 PHE 16 2.913 2.091 2.326 138 HD1 PHE 16 HD1 PHE 16 3.599 5.553 1.111 139 HD2 PHE 16 HD2 PHE 16 4.084 2.706 4.291 140 HE1 PHE 16 HE1 PHE 16 4.500 7.341 2.575 141 HE2 PHE 16 HE2 PHE 16 4.983 4.494 5.755 142 HZ PHE 16 HZ PHE 16 5.192 6.812 4.897 143 H GLY 17 H GLY 17 4.088 -0.044 1.256 144 HA2 GLY 17 HA2 GLY 17 6.142 -0.343 3.232 145 HA3 GLY 17 HA3 GLY 17 5.394 -1.666 2.336 146 H GLU 18 H GLU 18 6.115 -1.133 -0.270 147 HA GLU 18 HA GLU 18 8.795 -2.084 -0.440 148 HB2 GLU 18 HB2 GLU 18 6.723 -1.950 -2.110 149 HB3 GLU 18 HB3 GLU 18 7.554 -0.493 -2.654 150 HG2 GLU 18 HG2 GLU 18 9.387 -2.745 -2.302 151 HG3 GLU 18 HG3 GLU 18 8.117 -3.093 -3.476 152 H ASN 19 H ASN 19 7.493 1.201 -0.482 153 HA ASN 19 HA ASN 19 9.828 2.603 -1.353 154 HB2 ASN 19 HB2 ASN 19 7.281 3.149 0.052 155 HB3 ASN 19 HB3 ASN 19 8.566 4.312 0.381 156 HD21 ASN 19 HD21 ASN 19 6.317 3.177 -2.047 157 HD22 ASN 19 HD22 ASN 19 6.768 4.278 -3.258 158 H GLY 20 H GLY 20 8.838 1.396 1.819 159 HA2 GLY 20 HA2 GLY 20 11.180 2.614 3.138 160 HA3 GLY 20 HA3 GLY 20 9.917 1.673 3.934 161 H VAL 21 H VAL 21 9.986 -0.629 2.231 162 HA VAL 21 HA VAL 21 12.163 -2.099 3.423 163 HB VAL 21 HB VAL 21 10.217 -2.675 1.169 164 HG11 VAL 21 HG11 VAL 21 10.821 -5.089 1.636 165 HG12 VAL 21 HG12 VAL 21 12.191 -4.495 2.577 166 HG13 VAL 21 HG13 VAL 21 12.094 -4.158 0.848 167 HG21 VAL 21 HG21 VAL 21 10.255 -3.809 3.971 168 HG22 VAL 21 HG22 VAL 21 8.917 -3.778 2.821 169 HG23 VAL 21 HG23 VAL 21 9.442 -2.287 3.603 170 H PHE 22 H PHE 22 11.833 -0.402 0.361 171 HA PHE 22 HA PHE 22 14.386 -1.574 -0.640 172 HB2 PHE 22 HB2 PHE 22 12.040 -1.137 -1.868 173 HB3 PHE 22 HB3 PHE 22 12.778 0.438 -2.155 174 HD1 PHE 22 HD1 PHE 22 13.337 -3.233 -2.534 175 HD2 PHE 22 HD2 PHE 22 14.453 0.714 -3.808 176 HE1 PHE 22 HE1 PHE 22 14.702 -4.208 -4.359 177 HE2 PHE 22 HE2 PHE 22 15.818 -0.261 -5.635 178 HZ PHE 22 HZ PHE 22 15.943 -2.722 -5.910 179 H PHE 23 H PHE 23 14.125 0.523 1.607 180 HA PHE 23 HA PHE 23 16.273 2.289 0.637 181 HB2 PHE 23 HB2 PHE 23 13.553 3.011 0.389 182 HB3 PHE 23 HB3 PHE 23 14.163 3.939 1.757 183 HD1 PHE 23 HD1 PHE 23 16.100 5.468 1.478 184 HD2 PHE 23 HD2 PHE 23 14.344 3.407 -1.857 185 HE1 PHE 23 HE1 PHE 23 17.261 7.005 -0.085 186 HE2 PHE 23 HE2 PHE 23 15.504 4.944 -3.419 187 HZ PHE 23 HZ PHE 23 16.963 6.743 -2.533 188 H TYR 24 H TYR 24 16.269 0.358 2.711 189 HA TYR 24 HA TYR 24 16.498 2.104 5.142 190 HB2 TYR 24 HB2 TYR 24 14.558 0.224 4.690 191 HB3 TYR 24 HB3 TYR 24 15.776 -0.744 5.515 192 HD1 TYR 24 HD1 TYR 24 14.156 2.638 5.784 193 HD2 TYR 24 HD2 TYR 24 15.740 -0.784 7.843 194 HE1 TYR 24 HE1 TYR 24 13.473 3.626 7.953 195 HE2 TYR 24 HE2 TYR 24 15.057 0.205 10.011 196 HH TYR 24 HH TYR 24 12.958 2.212 10.534 197 H LYS 25 H LYS 25 18.587 1.226 3.223 198 HA LYS 25 HA LYS 25 20.758 0.310 3.237 199 HB2 LYS 25 HB2 LYS 25 20.044 1.031 6.053 200 HB3 LYS 25 HB3 LYS 25 21.525 0.107 5.806 201 HG2 LYS 25 HG2 LYS 25 22.193 1.813 4.062 202 HG3 LYS 25 HG3 LYS 25 20.813 2.782 4.580 203 HD2 LYS 25 HD2 LYS 25 21.739 3.241 6.663 204 HD3 LYS 25 HD3 LYS 25 22.744 1.790 6.650 205 HE2 LYS 25 HE2 LYS 25 24.261 2.765 5.031 206 HE3 LYS 25 HE3 LYS 25 23.188 4.160 4.798 207 HZ1 LYS 25 HZ1 LYS 25 23.436 4.713 7.135 208 HZ2 LYS 25 HZ2 LYS 25 24.961 4.658 6.389 209 HZ3 LYS 25 HZ3 LYS 25 24.449 3.374 7.377 Start of MODEL 2 1 HA HIS 1 HA HIS 1 -15.919 4.762 3.894 2 HB2 HIS 1 HB2 HIS 1 -17.047 6.153 5.889 3 HB3 HIS 1 HB3 HIS 1 -17.592 4.547 6.369 4 HD1 HIS 1 HD1 HIS 1 -15.279 6.422 7.728 5 HD2 HIS 1 HD2 HIS 1 -14.728 2.985 5.432 6 HE1 HIS 1 HE1 HIS 1 -13.003 5.502 8.349 7 H ALA 2 H ALA 2 -17.530 3.381 2.219 8 HA ALA 2 HA ALA 2 -17.805 0.744 3.551 9 HB1 ALA 2 HB1 ALA 2 -19.972 1.970 3.810 10 HB2 ALA 2 HB2 ALA 2 -20.134 0.522 2.818 11 HB3 ALA 2 HB3 ALA 2 -20.069 2.111 2.055 12 H TRP 3 H TRP 3 -17.316 -0.910 2.109 13 HA TRP 3 HA TRP 3 -16.729 -1.992 0.101 14 HB2 TRP 3 HB2 TRP 3 -18.954 -0.438 -0.431 15 HB3 TRP 3 HB3 TRP 3 -17.812 0.106 -1.658 16 HD1 TRP 3 HD1 TRP 3 -19.761 -2.951 -0.504 17 HE1 TRP 3 HE1 TRP 3 -19.653 -4.758 -2.341 18 HE3 TRP 3 HE3 TRP 3 -16.364 -0.806 -3.659 19 HZ2 TRP 3 HZ2 TRP 3 -18.304 -5.230 -4.819 20 HZ3 TRP 3 HZ3 TRP 3 -15.687 -1.953 -5.747 21 HH2 TRP 3 HH2 TRP 3 -16.652 -4.161 -6.330 22 H TYR 4 H TYR 4 -15.139 -1.818 -1.610 23 HA TYR 4 HA TYR 4 -12.950 -1.171 -2.223 24 HB2 TYR 4 HB2 TYR 4 -13.061 0.819 -3.618 25 HB3 TYR 4 HB3 TYR 4 -14.563 -0.078 -3.778 26 HD1 TYR 4 HD1 TYR 4 -12.981 2.947 -2.338 27 HD2 TYR 4 HD2 TYR 4 -16.667 0.835 -2.979 28 HE1 TYR 4 HE1 TYR 4 -14.253 4.972 -1.692 29 HE2 TYR 4 HE2 TYR 4 -17.938 2.864 -2.340 30 HH TYR 4 HH TYR 4 -16.951 5.746 -2.388 31 H SER 5 H SER 5 -13.441 -0.706 0.667 32 HA SER 5 HA SER 5 -11.870 1.786 1.158 33 HB2 SER 5 HB2 SER 5 -13.629 -0.005 2.843 34 HB3 SER 5 HB3 SER 5 -12.635 1.265 3.552 35 HG SER 5 HG SER 5 -13.806 2.776 2.507 36 H HIS 6 H HIS 6 -11.852 -1.713 1.782 37 HA HIS 6 HA HIS 6 -9.298 -1.574 3.225 38 HB2 HIS 6 HB2 HIS 6 -9.633 -3.928 3.540 39 HB3 HIS 6 HB3 HIS 6 -11.228 -3.191 3.653 40 HD1 HIS 6 HD1 HIS 6 -12.948 -3.796 1.857 41 HD2 HIS 6 HD2 HIS 6 -9.174 -5.393 1.089 42 HE1 HIS 6 HE1 HIS 6 -13.238 -5.439 -0.049 43 H TYR 7 H TYR 7 -10.376 -2.167 -0.057 44 HA TYR 7 HA TYR 7 -7.998 -3.445 -1.060 45 HB2 TYR 7 HB2 TYR 7 -10.419 -2.070 -2.102 46 HB3 TYR 7 HB3 TYR 7 -9.039 -2.104 -3.196 47 HD1 TYR 7 HD1 TYR 7 -7.756 -4.542 -3.094 48 HD2 TYR 7 HD2 TYR 7 -11.928 -3.811 -2.371 49 HE1 TYR 7 HE1 TYR 7 -8.270 -6.899 -3.670 50 HE2 TYR 7 HE2 TYR 7 -12.440 -6.167 -2.949 51 HH TYR 7 HH TYR 7 -10.923 -8.026 -4.594 52 H VAL 8 H VAL 8 -9.066 -0.044 -1.090 53 HA VAL 8 HA VAL 8 -6.673 1.036 -2.249 54 HB VAL 8 HB VAL 8 -8.940 2.125 -2.072 55 HG11 VAL 8 HG11 VAL 8 -9.567 3.213 0.024 56 HG12 VAL 8 HG12 VAL 8 -8.106 2.609 0.805 57 HG13 VAL 8 HG13 VAL 8 -9.364 1.483 0.296 58 HG21 VAL 8 HG21 VAL 8 -8.069 4.383 -1.661 59 HG22 VAL 8 HG22 VAL 8 -6.892 3.438 -2.573 60 HG23 VAL 8 HG23 VAL 8 -6.658 3.708 -0.846 61 H LEU 9 H LEU 9 -7.524 0.093 1.018 62 HA LEU 9 HA LEU 9 -5.359 1.489 2.368 63 HB2 LEU 9 HB2 LEU 9 -7.612 0.541 3.250 64 HB3 LEU 9 HB3 LEU 9 -6.782 -1.014 3.292 65 HG LEU 9 HG LEU 9 -4.950 0.181 4.638 66 HD11 LEU 9 HD11 LEU 9 -5.531 2.479 4.194 67 HD12 LEU 9 HD12 LEU 9 -5.843 2.184 5.904 68 HD13 LEU 9 HD13 LEU 9 -7.183 2.227 4.759 69 HD21 LEU 9 HD21 LEU 9 -6.432 0.130 6.745 70 HD22 LEU 9 HD22 LEU 9 -6.355 -1.353 5.795 71 HD23 LEU 9 HD23 LEU 9 -7.757 -0.292 5.661 72 H LYS 10 H LYS 10 -5.799 -1.759 0.964 73 HA LYS 10 HA LYS 10 -3.302 -2.847 1.966 74 HB2 LYS 10 HB2 LYS 10 -5.606 -3.649 0.441 75 HB3 LYS 10 HB3 LYS 10 -4.154 -4.135 -0.435 76 HG2 LYS 10 HG2 LYS 10 -4.610 -4.701 2.507 77 HG3 LYS 10 HG3 LYS 10 -4.971 -5.851 1.220 78 HD2 LYS 10 HD2 LYS 10 -2.701 -6.080 0.617 79 HD3 LYS 10 HD3 LYS 10 -2.239 -4.591 1.442 80 HE2 LYS 10 HE2 LYS 10 -3.433 -6.806 3.083 81 HE3 LYS 10 HE3 LYS 10 -1.738 -6.939 2.574 82 HZ1 LYS 10 HZ1 LYS 10 -2.951 -4.580 3.926 83 HZ2 LYS 10 HZ2 LYS 10 -1.328 -4.723 3.440 84 HZ3 LYS 10 HZ3 LYS 10 -1.940 -5.720 4.670 85 H PHE 11 H PHE 11 -4.303 -1.435 -1.171 86 HA PHE 11 HA PHE 11 -1.833 -1.767 -2.564 87 HB2 PHE 11 HB2 PHE 11 -4.067 -1.143 -3.511 88 HB3 PHE 11 HB3 PHE 11 -3.905 0.448 -2.769 89 HD1 PHE 11 HD1 PHE 11 -2.246 -1.895 -5.164 90 HD2 PHE 11 HD2 PHE 11 -2.707 2.170 -3.854 91 HE1 PHE 11 HE1 PHE 11 -0.931 -1.116 -7.117 92 HE2 PHE 11 HE2 PHE 11 -1.394 2.948 -5.807 93 HZ PHE 11 HZ PHE 11 -0.506 1.306 -7.439 94 H PHE 12 H PHE 12 -3.010 0.931 -0.516 95 HA PHE 12 HA PHE 12 -0.775 2.683 -0.892 96 HB2 PHE 12 HB2 PHE 12 -3.173 2.830 0.326 97 HB3 PHE 12 HB3 PHE 12 -2.174 2.519 1.746 98 HD1 PHE 12 HD1 PHE 12 -0.396 4.095 2.410 99 HD2 PHE 12 HD2 PHE 12 -2.969 4.891 -0.937 100 HE1 PHE 12 HE1 PHE 12 0.335 6.463 2.411 101 HE2 PHE 12 HE2 PHE 12 -2.238 7.260 -0.934 102 HZ PHE 12 HZ PHE 12 -0.586 8.047 0.739 103 H LEU 13 H LEU 13 -1.428 0.232 1.639 104 HA LEU 13 HA LEU 13 1.056 0.548 3.056 105 HB2 LEU 13 HB2 LEU 13 -1.205 -0.627 3.647 106 HB3 LEU 13 HB3 LEU 13 -0.512 -2.022 2.819 107 HG LEU 13 HG LEU 13 1.582 -1.369 4.392 108 HD11 LEU 13 HD11 LEU 13 0.553 -0.867 6.676 109 HD12 LEU 13 HD12 LEU 13 -0.915 -0.409 5.810 110 HD13 LEU 13 HD13 LEU 13 0.584 0.479 5.538 111 HD21 LEU 13 HD21 LEU 13 0.719 -3.106 5.971 112 HD22 LEU 13 HD22 LEU 13 0.548 -3.579 4.282 113 HD23 LEU 13 HD23 LEU 13 -0.854 -2.999 5.181 114 H LEU 14 H LEU 14 0.079 -1.436 0.281 115 HA LEU 14 HA LEU 14 2.469 -3.061 0.163 116 HB2 LEU 14 HB2 LEU 14 -0.024 -2.628 -1.274 117 HB3 LEU 14 HB3 LEU 14 1.311 -2.857 -2.397 118 HG LEU 14 HG LEU 14 0.223 -5.007 -1.769 119 HD11 LEU 14 HD11 LEU 14 2.242 -6.212 -1.474 120 HD12 LEU 14 HD12 LEU 14 2.984 -4.906 -0.549 121 HD13 LEU 14 HD13 LEU 14 2.734 -4.725 -2.286 122 HD21 LEU 14 HD21 LEU 14 1.386 -4.584 0.990 123 HD22 LEU 14 HD22 LEU 14 0.250 -5.825 0.463 124 HD23 LEU 14 HD23 LEU 14 -0.280 -4.150 0.610 125 H VAL 15 H VAL 15 1.479 -0.013 -1.354 126 HA VAL 15 HA VAL 15 3.852 0.214 -3.035 127 HB VAL 15 HB VAL 15 1.595 2.043 -2.176 128 HG11 VAL 15 HG11 VAL 15 2.545 3.494 -4.131 129 HG12 VAL 15 HG12 VAL 15 4.063 2.664 -3.789 130 HG13 VAL 15 HG13 VAL 15 3.287 3.634 -2.536 131 HG21 VAL 15 HG21 VAL 15 0.625 1.466 -4.175 132 HG22 VAL 15 HG22 VAL 15 1.623 0.026 -3.985 133 HG23 VAL 15 HG23 VAL 15 2.174 1.350 -5.010 134 H PHE 16 H PHE 16 2.757 1.990 -0.098 135 HA PHE 16 HA PHE 16 5.208 3.433 0.290 136 HB2 PHE 16 HB2 PHE 16 2.673 2.931 1.657 137 HB3 PHE 16 HB3 PHE 16 4.013 3.083 2.792 138 HD1 PHE 16 HD1 PHE 16 5.368 5.141 2.885 139 HD2 PHE 16 HD2 PHE 16 1.976 4.801 0.271 140 HE1 PHE 16 HE1 PHE 16 5.373 7.600 2.559 141 HE2 PHE 16 HE2 PHE 16 1.982 7.260 -0.056 142 HZ PHE 16 HZ PHE 16 3.680 8.659 1.088 143 H GLY 17 H GLY 17 4.108 0.247 1.440 144 HA2 GLY 17 HA2 GLY 17 6.214 -0.244 3.302 145 HA3 GLY 17 HA3 GLY 17 5.286 -1.497 2.475 146 H GLU 18 H GLU 18 5.960 -0.993 -0.193 147 HA GLU 18 HA GLU 18 8.511 -2.280 -0.438 148 HB2 GLU 18 HB2 GLU 18 6.501 -2.211 -2.034 149 HB3 GLU 18 HB3 GLU 18 7.093 -0.631 -2.542 150 HG2 GLU 18 HG2 GLU 18 9.243 -1.621 -3.199 151 HG3 GLU 18 HG3 GLU 18 8.700 -3.204 -2.640 152 H ASN 19 H ASN 19 7.547 1.122 -0.596 153 HA ASN 19 HA ASN 19 9.998 2.197 -1.611 154 HB2 ASN 19 HB2 ASN 19 7.762 3.256 0.127 155 HB3 ASN 19 HB3 ASN 19 9.095 4.282 -0.403 156 HD21 ASN 19 HD21 ASN 19 6.130 4.272 -1.209 157 HD22 ASN 19 HD22 ASN 19 6.159 4.182 -2.903 158 H GLY 20 H GLY 20 9.176 0.939 1.530 159 HA2 GLY 20 HA2 GLY 20 11.667 2.112 2.688 160 HA3 GLY 20 HA3 GLY 20 10.305 1.524 3.640 161 H VAL 21 H VAL 21 9.905 -0.959 2.213 162 HA VAL 21 HA VAL 21 12.019 -2.548 3.482 163 HB VAL 21 HB VAL 21 9.526 -3.179 1.876 164 HG11 VAL 21 HG11 VAL 21 11.621 -4.976 3.079 165 HG12 VAL 21 HG12 VAL 21 10.808 -5.109 1.519 166 HG13 VAL 21 HG13 VAL 21 9.941 -5.507 3.001 167 HG21 VAL 21 HG21 VAL 21 8.928 -2.298 3.999 168 HG22 VAL 21 HG22 VAL 21 10.248 -3.141 4.812 169 HG23 VAL 21 HG23 VAL 21 8.857 -4.046 4.214 170 H PHE 22 H PHE 22 11.337 -1.424 0.240 171 HA PHE 22 HA PHE 22 13.320 -3.345 -0.902 172 HB2 PHE 22 HB2 PHE 22 10.828 -2.495 -1.714 173 HB3 PHE 22 HB3 PHE 22 11.893 -1.470 -2.675 174 HD1 PHE 22 HD1 PHE 22 10.980 -4.971 -1.874 175 HD2 PHE 22 HD2 PHE 22 13.293 -2.388 -4.410 176 HE1 PHE 22 HE1 PHE 22 11.445 -6.877 -3.392 177 HE2 PHE 22 HE2 PHE 22 13.758 -4.293 -5.928 178 HZ PHE 22 HZ PHE 22 12.833 -6.537 -5.419 179 H PHE 23 H PHE 23 13.574 -0.444 0.566 180 HA PHE 23 HA PHE 23 15.784 0.433 -1.249 181 HB2 PHE 23 HB2 PHE 23 13.464 2.027 -0.138 182 HB3 PHE 23 HB3 PHE 23 14.933 2.803 -0.728 183 HD1 PHE 23 HD1 PHE 23 15.694 2.315 -3.122 184 HD2 PHE 23 HD2 PHE 23 11.797 1.276 -1.643 185 HE1 PHE 23 HE1 PHE 23 14.864 2.108 -5.451 186 HE2 PHE 23 HE2 PHE 23 10.968 1.071 -3.970 187 HZ PHE 23 HZ PHE 23 12.501 1.487 -5.874 188 H TYR 24 H TYR 24 15.695 -0.981 1.419 189 HA TYR 24 HA TYR 24 16.974 1.101 3.143 190 HB2 TYR 24 HB2 TYR 24 16.207 -0.148 4.983 191 HB3 TYR 24 HB3 TYR 24 14.911 -0.355 3.812 192 HD1 TYR 24 HD1 TYR 24 14.778 -2.473 2.459 193 HD2 TYR 24 HD2 TYR 24 17.544 -1.995 5.710 194 HE1 TYR 24 HE1 TYR 24 15.094 -4.929 2.551 195 HE2 TYR 24 HE2 TYR 24 17.860 -4.453 5.802 196 HH TYR 24 HH TYR 24 16.053 -6.573 4.873 197 H LYS 25 H LYS 25 17.672 -1.660 1.219 198 HA LYS 25 HA LYS 25 20.464 -1.698 2.277 199 HB2 LYS 25 HB2 LYS 25 18.439 -3.673 2.660 200 HB3 LYS 25 HB3 LYS 25 19.624 -4.346 1.539 201 HG2 LYS 25 HG2 LYS 25 21.413 -3.511 3.185 202 HG3 LYS 25 HG3 LYS 25 20.090 -3.286 4.331 203 HD2 LYS 25 HD2 LYS 25 20.746 -5.461 4.839 204 HD3 LYS 25 HD3 LYS 25 19.479 -5.762 3.650 205 HE2 LYS 25 HE2 LYS 25 21.145 -6.003 1.870 206 HE3 LYS 25 HE3 LYS 25 22.447 -5.591 3.004 207 HZ1 LYS 25 HZ1 LYS 25 21.829 -7.476 4.372 208 HZ2 LYS 25 HZ2 LYS 25 22.168 -8.003 2.793 209 HZ3 LYS 25 HZ3 LYS 25 20.558 -7.870 3.319 Start of MODEL 3 1 HA HIS 1 HA HIS 1 -18.804 3.559 1.912 2 HB2 HIS 1 HB2 HIS 1 -21.579 4.452 1.129 3 HB3 HIS 1 HB3 HIS 1 -21.313 3.632 2.667 4 HD1 HIS 1 HD1 HIS 1 -19.478 4.792 4.287 5 HD2 HIS 1 HD2 HIS 1 -20.879 7.146 1.143 6 HE1 HIS 1 HE1 HIS 1 -18.850 7.182 4.845 7 H ALA 2 H ALA 2 -18.120 1.469 0.924 8 HA ALA 2 HA ALA 2 -20.291 -0.575 1.107 9 HB1 ALA 2 HB1 ALA 2 -20.051 0.046 -1.249 10 HB2 ALA 2 HB2 ALA 2 -19.400 -1.576 -1.005 11 HB3 ALA 2 HB3 ALA 2 -18.306 -0.201 -1.160 12 H TRP 3 H TRP 3 -18.095 0.134 2.932 13 HA TRP 3 HA TRP 3 -16.353 -0.876 4.158 14 HB2 TRP 3 HB2 TRP 3 -18.302 -2.909 3.270 15 HB3 TRP 3 HB3 TRP 3 -16.745 -3.575 3.758 16 HD1 TRP 3 HD1 TRP 3 -19.770 -1.703 5.104 17 HE1 TRP 3 HE1 TRP 3 -19.667 -1.682 7.681 18 HE3 TRP 3 HE3 TRP 3 -15.102 -3.651 5.819 19 HZ2 TRP 3 HZ2 TRP 3 -17.847 -2.397 9.768 20 HZ3 TRP 3 HZ3 TRP 3 -14.210 -3.970 8.109 21 HH2 TRP 3 HH2 TRP 3 -15.575 -3.346 10.082 22 H TYR 4 H TYR 4 -15.238 0.072 1.894 23 HA TYR 4 HA TYR 4 -13.521 -2.184 0.911 24 HB2 TYR 4 HB2 TYR 4 -13.607 -1.235 -1.278 25 HB3 TYR 4 HB3 TYR 4 -15.262 -1.186 -0.685 26 HD1 TYR 4 HD1 TYR 4 -16.181 0.990 0.238 27 HD2 TYR 4 HD2 TYR 4 -12.419 0.757 -1.821 28 HE1 TYR 4 HE1 TYR 4 -16.233 3.441 -0.135 29 HE2 TYR 4 HE2 TYR 4 -12.470 3.206 -2.192 30 HH TYR 4 HH TYR 4 -14.222 5.009 -2.330 31 H SER 5 H SER 5 -13.174 -0.096 3.143 32 HA SER 5 HA SER 5 -11.149 1.784 2.305 33 HB2 SER 5 HB2 SER 5 -12.136 0.639 4.910 34 HB3 SER 5 HB3 SER 5 -10.750 1.726 4.883 35 HG SER 5 HG SER 5 -12.287 3.182 4.927 36 H HIS 6 H HIS 6 -11.042 -1.608 3.081 37 HA HIS 6 HA HIS 6 -8.234 -1.717 3.828 38 HB2 HIS 6 HB2 HIS 6 -10.075 -3.369 4.402 39 HB3 HIS 6 HB3 HIS 6 -10.020 -3.904 2.722 40 HD1 HIS 6 HD1 HIS 6 -7.674 -3.540 5.707 41 HD2 HIS 6 HD2 HIS 6 -8.053 -5.795 2.221 42 HE1 HIS 6 HE1 HIS 6 -5.828 -5.273 5.770 43 H TYR 7 H TYR 7 -9.992 -1.746 0.797 44 HA TYR 7 HA TYR 7 -7.976 -2.930 -0.869 45 HB2 TYR 7 HB2 TYR 7 -10.306 -1.052 -1.278 46 HB3 TYR 7 HB3 TYR 7 -9.273 -1.511 -2.631 47 HD1 TYR 7 HD1 TYR 7 -8.888 -4.036 -3.039 48 HD2 TYR 7 HD2 TYR 7 -12.038 -2.483 -0.567 49 HE1 TYR 7 HE1 TYR 7 -10.113 -6.183 -3.249 50 HE2 TYR 7 HE2 TYR 7 -13.262 -4.629 -0.775 51 HH TYR 7 HH TYR 7 -12.462 -7.158 -1.277 52 H VAL 8 H VAL 8 -8.725 0.491 -0.150 53 HA VAL 8 HA VAL 8 -6.479 1.551 -1.622 54 HB VAL 8 HB VAL 8 -8.552 2.799 -0.948 55 HG11 VAL 8 HG11 VAL 8 -8.491 3.747 1.426 56 HG12 VAL 8 HG12 VAL 8 -7.314 2.488 1.795 57 HG13 VAL 8 HG13 VAL 8 -8.943 2.050 1.282 58 HG21 VAL 8 HG21 VAL 8 -5.989 4.010 0.132 59 HG22 VAL 8 HG22 VAL 8 -7.411 4.891 -0.424 60 HG23 VAL 8 HG23 VAL 8 -6.439 3.973 -1.573 61 H LEU 9 H LEU 9 -6.870 0.220 1.591 62 HA LEU 9 HA LEU 9 -4.352 1.223 2.675 63 HB2 LEU 9 HB2 LEU 9 -6.645 0.209 3.710 64 HB3 LEU 9 HB3 LEU 9 -5.664 -1.255 3.704 65 HG LEU 9 HG LEU 9 -5.444 -0.058 5.847 66 HD11 LEU 9 HD11 LEU 9 -3.478 -1.259 4.649 67 HD12 LEU 9 HD12 LEU 9 -3.101 -0.205 6.011 68 HD13 LEU 9 HD13 LEU 9 -2.857 0.366 4.361 69 HD21 LEU 9 HD21 LEU 9 -4.662 2.172 6.011 70 HD22 LEU 9 HD22 LEU 9 -5.836 2.224 4.696 71 HD23 LEU 9 HD23 LEU 9 -4.110 2.191 4.336 72 H LYS 10 H LYS 10 -5.492 -1.825 1.187 73 HA LYS 10 HA LYS 10 -2.988 -3.251 1.466 74 HB2 LYS 10 HB2 LYS 10 -5.334 -4.164 1.070 75 HB3 LYS 10 HB3 LYS 10 -5.176 -3.626 -0.604 76 HG2 LYS 10 HG2 LYS 10 -3.171 -5.030 -0.878 77 HG3 LYS 10 HG3 LYS 10 -3.304 -5.557 0.800 78 HD2 LYS 10 HD2 LYS 10 -5.815 -6.118 -0.094 79 HD3 LYS 10 HD3 LYS 10 -4.883 -6.379 -1.568 80 HE2 LYS 10 HE2 LYS 10 -3.853 -7.549 1.002 81 HE3 LYS 10 HE3 LYS 10 -5.183 -8.365 0.156 82 HZ1 LYS 10 HZ1 LYS 10 -3.904 -8.403 -1.855 83 HZ2 LYS 10 HZ2 LYS 10 -2.951 -9.074 -0.619 84 HZ3 LYS 10 HZ3 LYS 10 -2.659 -7.489 -1.152 85 H PHE 11 H PHE 11 -4.434 -1.287 -1.147 86 HA PHE 11 HA PHE 11 -2.336 -1.734 -3.080 87 HB2 PHE 11 HB2 PHE 11 -4.645 -0.903 -3.548 88 HB3 PHE 11 HB3 PHE 11 -4.253 0.598 -2.710 89 HD1 PHE 11 HD1 PHE 11 -3.311 -1.545 -5.613 90 HD2 PHE 11 HD2 PHE 11 -3.050 2.340 -3.796 91 HE1 PHE 11 HE1 PHE 11 -2.318 -0.637 -7.695 92 HE2 PHE 11 HE2 PHE 11 -2.056 3.246 -5.879 93 HZ PHE 11 HZ PHE 11 -1.690 1.758 -7.829 94 H PHE 12 H PHE 12 -2.890 0.784 -0.605 95 HA PHE 12 HA PHE 12 -0.615 2.423 -1.284 96 HB2 PHE 12 HB2 PHE 12 -2.606 3.107 0.058 97 HB3 PHE 12 HB3 PHE 12 -2.076 2.035 1.353 98 HD1 PHE 12 HD1 PHE 12 -0.951 4.936 -0.730 99 HD2 PHE 12 HD2 PHE 12 -0.537 2.787 2.967 100 HE1 PHE 12 HE1 PHE 12 0.537 6.719 0.141 101 HE2 PHE 12 HE2 PHE 12 0.950 4.571 3.837 102 HZ PHE 12 HZ PHE 12 1.488 6.536 2.424 103 H LEU 13 H LEU 13 -1.080 -0.234 1.076 104 HA LEU 13 HA LEU 13 1.559 -0.105 2.225 105 HB2 LEU 13 HB2 LEU 13 -0.615 -1.274 3.016 106 HB3 LEU 13 HB3 LEU 13 -0.142 -2.588 1.939 107 HG LEU 13 HG LEU 13 2.161 -2.446 3.150 108 HD11 LEU 13 HD11 LEU 13 1.810 -1.722 5.573 109 HD12 LEU 13 HD12 LEU 13 0.326 -0.937 5.027 110 HD13 LEU 13 HD13 LEU 13 1.886 -0.416 4.390 111 HD21 LEU 13 HD21 LEU 13 -0.322 -3.456 4.576 112 HD22 LEU 13 HD22 LEU 13 1.329 -3.963 4.932 113 HD23 LEU 13 HD23 LEU 13 0.607 -4.341 3.368 114 H LEU 14 H LEU 14 0.300 -1.584 -0.720 115 HA LEU 14 HA LEU 14 2.550 -3.358 -1.182 116 HB2 LEU 14 HB2 LEU 14 0.169 -3.479 -2.108 117 HB3 LEU 14 HB3 LEU 14 0.626 -2.171 -3.198 118 HG LEU 14 HG LEU 14 2.566 -4.383 -3.146 119 HD11 LEU 14 HD11 LEU 14 -0.176 -4.874 -4.345 120 HD12 LEU 14 HD12 LEU 14 0.384 -5.600 -2.838 121 HD13 LEU 14 HD13 LEU 14 1.201 -5.977 -4.354 122 HD21 LEU 14 HD21 LEU 14 1.002 -3.193 -5.453 123 HD22 LEU 14 HD22 LEU 14 2.577 -3.985 -5.511 124 HD23 LEU 14 HD23 LEU 14 2.416 -2.402 -4.753 125 H VAL 15 H VAL 15 1.805 -0.014 -2.011 126 HA VAL 15 HA VAL 15 4.270 0.203 -3.670 127 HB VAL 15 HB VAL 15 1.871 1.978 -3.120 128 HG11 VAL 15 HG11 VAL 15 3.451 3.631 -3.491 129 HG12 VAL 15 HG12 VAL 15 3.025 3.245 -5.158 130 HG13 VAL 15 HG13 VAL 15 4.490 2.571 -4.444 131 HG21 VAL 15 HG21 VAL 15 1.427 0.129 -4.637 132 HG22 VAL 15 HG22 VAL 15 2.886 0.487 -5.561 133 HG23 VAL 15 HG23 VAL 15 1.529 1.614 -5.584 134 H PHE 16 H PHE 16 2.711 2.113 -1.048 135 HA PHE 16 HA PHE 16 5.156 3.497 -0.338 136 HB2 PHE 16 HB2 PHE 16 2.662 4.128 -0.015 137 HB3 PHE 16 HB3 PHE 16 2.728 3.098 1.416 138 HD1 PHE 16 HD1 PHE 16 4.198 6.109 -0.197 139 HD2 PHE 16 HD2 PHE 16 3.845 3.804 3.411 140 HE1 PHE 16 HE1 PHE 16 5.252 7.952 1.085 141 HE2 PHE 16 HE2 PHE 16 4.900 5.647 4.691 142 HZ PHE 16 HZ PHE 16 5.603 7.721 3.528 143 H GLY 17 H GLY 17 3.579 0.530 0.833 144 HA2 GLY 17 HA2 GLY 17 5.100 0.249 3.254 145 HA3 GLY 17 HA3 GLY 17 4.292 -1.068 2.404 146 H GLU 18 H GLU 18 5.601 -1.111 -0.028 147 HA GLU 18 HA GLU 18 8.014 -2.524 0.519 148 HB2 GLU 18 HB2 GLU 18 6.648 -2.744 -1.530 149 HB3 GLU 18 HB3 GLU 18 7.059 -1.092 -1.988 150 HG2 GLU 18 HG2 GLU 18 9.341 -2.925 -1.424 151 HG3 GLU 18 HG3 GLU 18 8.428 -3.229 -2.901 152 H ASN 19 H ASN 19 7.499 0.830 -0.563 153 HA ASN 19 HA ASN 19 10.227 1.623 -0.778 154 HB2 ASN 19 HB2 ASN 19 7.574 2.938 -0.316 155 HB3 ASN 19 HB3 ASN 19 9.030 3.912 -0.101 156 HD21 ASN 19 HD21 ASN 19 7.273 1.918 -2.504 157 HD22 ASN 19 HD22 ASN 19 8.022 2.614 -3.859 158 H GLY 20 H GLY 20 8.009 1.589 1.991 159 HA2 GLY 20 HA2 GLY 20 9.849 2.797 3.864 160 HA3 GLY 20 HA3 GLY 20 8.397 1.888 4.292 161 H VAL 21 H VAL 21 8.926 -0.598 3.160 162 HA VAL 21 HA VAL 21 10.658 -1.829 5.083 163 HB VAL 21 HB VAL 21 9.496 -2.696 2.418 164 HG11 VAL 21 HG11 VAL 21 11.490 -4.055 2.861 165 HG12 VAL 21 HG12 VAL 21 10.036 -5.018 3.126 166 HG13 VAL 21 HG13 VAL 21 10.930 -4.373 4.503 167 HG21 VAL 21 HG21 VAL 21 8.754 -3.624 5.198 168 HG22 VAL 21 HG22 VAL 21 7.804 -3.738 3.716 169 HG23 VAL 21 HG23 VAL 21 8.043 -2.172 4.492 170 H PHE 22 H PHE 22 11.239 -0.604 1.826 171 HA PHE 22 HA PHE 22 13.923 -1.775 1.631 172 HB2 PHE 22 HB2 PHE 22 12.088 -0.074 0.000 173 HB3 PHE 22 HB3 PHE 22 13.810 0.002 -0.376 174 HD1 PHE 22 HD1 PHE 22 11.300 -2.654 0.531 175 HD2 PHE 22 HD2 PHE 22 14.537 -1.458 -2.029 176 HE1 PHE 22 HE1 PHE 22 11.132 -4.806 -0.685 177 HE2 PHE 22 HE2 PHE 22 14.367 -3.612 -3.245 178 HZ PHE 22 HZ PHE 22 12.666 -5.284 -2.574 179 H PHE 23 H PHE 23 12.625 0.990 3.171 180 HA PHE 23 HA PHE 23 15.304 2.343 3.141 181 HB2 PHE 23 HB2 PHE 23 12.462 3.264 3.050 182 HB3 PHE 23 HB3 PHE 23 13.611 4.283 3.915 183 HD1 PHE 23 HD1 PHE 23 12.903 2.667 0.640 184 HD2 PHE 23 HD2 PHE 23 15.252 5.573 2.755 185 HE1 PHE 23 HE1 PHE 23 13.746 3.550 -1.516 186 HE2 PHE 23 HE2 PHE 23 16.097 6.456 0.597 187 HZ PHE 23 HZ PHE 23 15.344 5.445 -1.537 188 H TYR 24 H TYR 24 14.092 0.170 5.005 189 HA TYR 24 HA TYR 24 14.837 1.541 7.544 190 HB2 TYR 24 HB2 TYR 24 12.189 0.426 6.737 191 HB3 TYR 24 HB3 TYR 24 12.703 0.133 8.397 192 HD1 TYR 24 HD1 TYR 24 13.428 2.123 9.821 193 HD2 TYR 24 HD2 TYR 24 11.382 2.558 6.069 194 HE1 TYR 24 HE1 TYR 24 12.813 4.448 10.425 195 HE2 TYR 24 HE2 TYR 24 10.767 4.881 6.674 196 HH TYR 24 HH TYR 24 10.571 6.082 9.387 197 H LYS 25 H LYS 25 16.677 -0.031 6.665 198 HA LYS 25 HA LYS 25 16.192 -2.799 7.723 199 HB2 LYS 25 HB2 LYS 25 17.998 -1.650 5.579 200 HB3 LYS 25 HB3 LYS 25 18.207 -3.287 6.204 201 HG2 LYS 25 HG2 LYS 25 15.900 -3.846 5.560 202 HG3 LYS 25 HG3 LYS 25 15.658 -2.204 4.965 203 HD2 LYS 25 HD2 LYS 25 18.014 -3.077 3.714 204 HD3 LYS 25 HD3 LYS 25 16.925 -4.463 3.647 205 HE2 LYS 25 HE2 LYS 25 15.999 -3.433 1.834 206 HE3 LYS 25 HE3 LYS 25 15.260 -2.322 3.005 207 HZ1 LYS 25 HZ1 LYS 25 17.780 -1.996 1.491 208 HZ2 LYS 25 HZ2 LYS 25 17.527 -1.152 2.945 209 HZ3 LYS 25 HZ3 LYS 25 16.477 -0.915 1.630 Start of MODEL 4 1 HA HIS 1 HA HIS 1 -18.941 2.740 0.896 2 HB2 HIS 1 HB2 HIS 1 -17.210 2.460 2.800 3 HB3 HIS 1 HB3 HIS 1 -16.497 1.198 1.796 4 HD1 HIS 1 HD1 HIS 1 -14.419 2.984 1.778 5 HD2 HIS 1 HD2 HIS 1 -17.816 4.057 -0.392 6 HE1 HIS 1 HE1 HIS 1 -13.704 4.820 0.183 7 H ALA 2 H ALA 2 -20.309 0.670 -0.171 8 HA ALA 2 HA ALA 2 -20.421 -0.851 -1.971 9 HB1 ALA 2 HB1 ALA 2 -19.278 -0.038 -3.860 10 HB2 ALA 2 HB2 ALA 2 -17.881 0.468 -2.910 11 HB3 ALA 2 HB3 ALA 2 -19.385 1.384 -2.822 12 H TRP 3 H TRP 3 -18.724 -1.645 0.412 13 HA TRP 3 HA TRP 3 -17.215 -3.352 1.022 14 HB2 TRP 3 HB2 TRP 3 -19.099 -4.368 -0.508 15 HB3 TRP 3 HB3 TRP 3 -17.796 -4.541 -1.684 16 HD1 TRP 3 HD1 TRP 3 -18.600 -5.521 1.967 17 HE1 TRP 3 HE1 TRP 3 -17.380 -7.730 2.492 18 HE3 TRP 3 HE3 TRP 3 -16.029 -6.169 -2.398 19 HZ2 TRP 3 HZ2 TRP 3 -15.555 -9.534 1.227 20 HZ3 TRP 3 HZ3 TRP 3 -14.558 -8.138 -2.711 21 HH2 TRP 3 HH2 TRP 3 -14.319 -9.821 -0.906 22 H TYR 4 H TYR 4 -16.053 -1.030 -0.431 23 HA TYR 4 HA TYR 4 -13.614 -2.408 -1.476 24 HB2 TYR 4 HB2 TYR 4 -15.450 -1.390 -3.147 25 HB3 TYR 4 HB3 TYR 4 -14.564 0.096 -2.804 26 HD1 TYR 4 HD1 TYR 4 -12.202 0.334 -3.421 27 HD2 TYR 4 HD2 TYR 4 -14.388 -3.256 -4.308 28 HE1 TYR 4 HE1 TYR 4 -10.400 -0.381 -4.966 29 HE2 TYR 4 HE2 TYR 4 -12.585 -3.972 -5.853 30 HH TYR 4 HH TYR 4 -9.793 -3.218 -5.888 31 H SER 5 H SER 5 -13.636 -1.478 1.086 32 HA SER 5 HA SER 5 -12.354 1.227 0.992 33 HB2 SER 5 HB2 SER 5 -14.387 0.130 2.570 34 HB3 SER 5 HB3 SER 5 -12.974 0.139 3.624 35 HG SER 5 HG SER 5 -12.950 2.264 3.583 36 H HIS 6 H HIS 6 -11.749 -2.136 1.584 37 HA HIS 6 HA HIS 6 -9.297 -1.657 3.153 38 HB2 HIS 6 HB2 HIS 6 -10.851 -3.563 3.569 39 HB3 HIS 6 HB3 HIS 6 -10.487 -4.181 1.959 40 HD1 HIS 6 HD1 HIS 6 -8.566 -5.773 1.833 41 HD2 HIS 6 HD2 HIS 6 -8.322 -3.339 5.210 42 HE1 HIS 6 HE1 HIS 6 -6.552 -6.567 3.145 43 H TYR 7 H TYR 7 -10.215 -2.291 -0.174 44 HA TYR 7 HA TYR 7 -7.696 -3.205 -1.183 45 HB2 TYR 7 HB2 TYR 7 -9.960 -1.627 -2.450 46 HB3 TYR 7 HB3 TYR 7 -8.659 -2.391 -3.362 47 HD1 TYR 7 HD1 TYR 7 -8.278 -4.942 -2.951 48 HD2 TYR 7 HD2 TYR 7 -11.884 -2.852 -1.914 49 HE1 TYR 7 HE1 TYR 7 -9.512 -7.093 -2.902 50 HE2 TYR 7 HE2 TYR 7 -13.118 -5.003 -1.864 51 HH TYR 7 HH TYR 7 -12.084 -7.700 -1.444 52 H VAL 8 H VAL 8 -9.076 0.072 -0.951 53 HA VAL 8 HA VAL 8 -6.805 1.446 -2.060 54 HB VAL 8 HB VAL 8 -9.174 2.297 -1.762 55 HG11 VAL 8 HG11 VAL 8 -9.291 1.455 0.650 56 HG12 VAL 8 HG12 VAL 8 -9.914 3.080 0.369 57 HG13 VAL 8 HG13 VAL 8 -8.317 2.859 1.086 58 HG21 VAL 8 HG21 VAL 8 -6.883 3.933 -0.631 59 HG22 VAL 8 HG22 VAL 8 -8.447 4.612 -1.083 60 HG23 VAL 8 HG23 VAL 8 -7.418 3.876 -2.312 61 H LEU 9 H LEU 9 -7.508 0.158 1.112 62 HA LEU 9 HA LEU 9 -5.352 1.626 2.471 63 HB2 LEU 9 HB2 LEU 9 -7.700 0.576 3.265 64 HB3 LEU 9 HB3 LEU 9 -6.663 -0.809 3.604 65 HG LEU 9 HG LEU 9 -5.134 1.138 4.670 66 HD11 LEU 9 HD11 LEU 9 -6.639 2.965 4.187 67 HD12 LEU 9 HD12 LEU 9 -6.705 2.668 5.924 68 HD13 LEU 9 HD13 LEU 9 -8.005 2.090 4.881 69 HD21 LEU 9 HD21 LEU 9 -7.490 -0.283 5.949 70 HD22 LEU 9 HD22 LEU 9 -6.239 0.557 6.865 71 HD23 LEU 9 HD23 LEU 9 -5.820 -0.846 5.883 72 H LYS 10 H LYS 10 -5.929 -1.665 1.201 73 HA LYS 10 HA LYS 10 -3.414 -2.756 2.182 74 HB2 LYS 10 HB2 LYS 10 -5.756 -3.777 1.290 75 HB3 LYS 10 HB3 LYS 10 -4.803 -3.917 -0.187 76 HG2 LYS 10 HG2 LYS 10 -3.535 -4.810 2.369 77 HG3 LYS 10 HG3 LYS 10 -4.788 -5.839 1.674 78 HD2 LYS 10 HD2 LYS 10 -3.569 -6.205 -0.305 79 HD3 LYS 10 HD3 LYS 10 -2.543 -4.793 -0.045 80 HE2 LYS 10 HE2 LYS 10 -1.189 -5.889 1.506 81 HE3 LYS 10 HE3 LYS 10 -2.471 -7.022 1.976 82 HZ1 LYS 10 HZ1 LYS 10 -1.053 -6.957 -0.641 83 HZ2 LYS 10 HZ2 LYS 10 -2.355 -7.984 -0.268 84 HZ3 LYS 10 HZ3 LYS 10 -0.879 -8.142 0.560 85 H PHE 11 H PHE 11 -4.516 -1.435 -0.958 86 HA PHE 11 HA PHE 11 -2.150 -2.012 -2.461 87 HB2 PHE 11 HB2 PHE 11 -4.275 -1.367 -3.470 88 HB3 PHE 11 HB3 PHE 11 -4.231 0.193 -2.649 89 HD1 PHE 11 HD1 PHE 11 -2.116 -1.910 -4.936 90 HD2 PHE 11 HD2 PHE 11 -3.393 2.034 -3.810 91 HE1 PHE 11 HE1 PHE 11 -0.819 -0.953 -6.819 92 HE2 PHE 11 HE2 PHE 11 -2.096 2.992 -5.696 93 HZ PHE 11 HZ PHE 11 -0.809 1.497 -7.200 94 H PHE 12 H PHE 12 -3.065 0.881 -0.555 95 HA PHE 12 HA PHE 12 -0.730 2.440 -1.153 96 HB2 PHE 12 HB2 PHE 12 -2.923 2.378 0.873 97 HB3 PHE 12 HB3 PHE 12 -1.502 3.344 1.267 98 HD1 PHE 12 HD1 PHE 12 -3.702 2.669 -1.710 99 HD2 PHE 12 HD2 PHE 12 -1.527 5.570 0.595 100 HE1 PHE 12 HE1 PHE 12 -4.497 4.465 -3.221 101 HE2 PHE 12 HE2 PHE 12 -2.324 7.367 -0.917 102 HZ PHE 12 HZ PHE 12 -3.808 6.815 -2.826 103 H LEU 13 H LEU 13 -1.448 0.146 1.497 104 HA LEU 13 HA LEU 13 0.988 0.508 2.966 105 HB2 LEU 13 HB2 LEU 13 -1.277 -0.714 3.484 106 HB3 LEU 13 HB3 LEU 13 -0.490 -2.108 2.743 107 HG LEU 13 HG LEU 13 1.501 -1.404 4.366 108 HD11 LEU 13 HD11 LEU 13 0.286 0.612 5.185 109 HD12 LEU 13 HD12 LEU 13 0.660 -0.519 6.486 110 HD13 LEU 13 HD13 LEU 13 -0.976 -0.439 5.830 111 HD21 LEU 13 HD21 LEU 13 0.404 -3.579 4.419 112 HD22 LEU 13 HD22 LEU 13 -1.015 -2.882 5.201 113 HD23 LEU 13 HD23 LEU 13 0.519 -2.962 6.067 114 H LEU 14 H LEU 14 0.163 -1.545 0.183 115 HA LEU 14 HA LEU 14 2.589 -3.120 0.208 116 HB2 LEU 14 HB2 LEU 14 0.261 -3.470 -0.933 117 HB3 LEU 14 HB3 LEU 14 0.931 -2.476 -2.227 118 HG LEU 14 HG LEU 14 2.929 -4.064 -2.239 119 HD11 LEU 14 HD11 LEU 14 2.454 -6.334 -1.307 120 HD12 LEU 14 HD12 LEU 14 0.997 -5.686 -0.552 121 HD13 LEU 14 HD13 LEU 14 2.584 -5.098 -0.056 122 HD21 LEU 14 HD21 LEU 14 0.142 -5.008 -2.967 123 HD22 LEU 14 HD22 LEU 14 1.605 -5.859 -3.462 124 HD23 LEU 14 HD23 LEU 14 1.316 -4.209 -4.015 125 H VAL 15 H VAL 15 1.562 -0.263 -1.664 126 HA VAL 15 HA VAL 15 4.040 0.038 -3.122 127 HB VAL 15 HB VAL 15 1.791 1.959 -2.412 128 HG11 VAL 15 HG11 VAL 15 2.709 3.072 -4.600 129 HG12 VAL 15 HG12 VAL 15 4.202 2.227 -4.195 130 HG13 VAL 15 HG13 VAL 15 3.521 3.400 -3.068 131 HG21 VAL 15 HG21 VAL 15 2.204 0.826 -5.143 132 HG22 VAL 15 HG22 VAL 15 0.702 1.208 -4.301 133 HG23 VAL 15 HG23 VAL 15 1.581 -0.270 -3.908 134 H PHE 16 H PHE 16 2.734 1.660 -0.200 135 HA PHE 16 HA PHE 16 5.019 3.340 0.283 136 HB2 PHE 16 HB2 PHE 16 2.577 3.334 1.221 137 HB3 PHE 16 HB3 PHE 16 3.213 2.209 2.420 138 HD1 PHE 16 HD1 PHE 16 3.515 5.637 1.036 139 HD2 PHE 16 HD2 PHE 16 4.700 2.941 4.165 140 HE1 PHE 16 HE1 PHE 16 4.467 7.538 2.313 141 HE2 PHE 16 HE2 PHE 16 5.651 4.842 5.442 142 HZ PHE 16 HZ PHE 16 5.534 7.141 4.517 143 H GLY 17 H GLY 17 4.178 0.037 1.334 144 HA2 GLY 17 HA2 GLY 17 6.335 -0.317 3.182 145 HA3 GLY 17 HA3 GLY 17 5.471 -1.623 2.368 146 H GLU 18 H GLU 18 6.070 -0.974 -0.321 147 HA GLU 18 HA GLU 18 8.635 -2.180 -0.675 148 HB2 GLU 18 HB2 GLU 18 6.527 -1.870 -2.220 149 HB3 GLU 18 HB3 GLU 18 7.332 -0.380 -2.708 150 HG2 GLU 18 HG2 GLU 18 8.275 -1.798 -4.254 151 HG3 GLU 18 HG3 GLU 18 9.418 -2.053 -2.938 152 H ASN 19 H ASN 19 7.638 1.210 -0.568 153 HA ASN 19 HA ASN 19 10.144 2.330 -1.469 154 HB2 ASN 19 HB2 ASN 19 7.731 3.327 0.045 155 HB3 ASN 19 HB3 ASN 19 9.097 4.387 -0.299 156 HD21 ASN 19 HD21 ASN 19 6.158 4.037 -1.450 157 HD22 ASN 19 HD22 ASN 19 6.415 4.135 -3.125 158 H GLY 20 H GLY 20 9.154 0.980 1.574 159 HA2 GLY 20 HA2 GLY 20 11.503 2.263 2.910 160 HA3 GLY 20 HA3 GLY 20 10.065 1.722 3.767 161 H VAL 21 H VAL 21 9.974 -0.847 2.162 162 HA VAL 21 HA VAL 21 12.063 -2.257 3.761 163 HB VAL 21 HB VAL 21 9.620 -3.304 2.295 164 HG11 VAL 21 HG11 VAL 21 9.921 -5.304 3.598 165 HG12 VAL 21 HG12 VAL 21 11.191 -4.553 4.566 166 HG13 VAL 21 HG13 VAL 21 11.483 -4.933 2.868 167 HG21 VAL 21 HG21 VAL 21 8.683 -3.404 4.672 168 HG22 VAL 21 HG22 VAL 21 8.832 -1.788 3.981 169 HG23 VAL 21 HG23 VAL 21 10.025 -2.361 5.147 170 H PHE 22 H PHE 22 10.759 -2.151 0.441 171 HA PHE 22 HA PHE 22 12.581 -4.056 -0.687 172 HB2 PHE 22 HB2 PHE 22 10.362 -2.903 -1.534 173 HB3 PHE 22 HB3 PHE 22 11.480 -1.729 -2.228 174 HD1 PHE 22 HD1 PHE 22 10.740 -5.389 -2.067 175 HD2 PHE 22 HD2 PHE 22 12.634 -2.199 -4.232 176 HE1 PHE 22 HE1 PHE 22 11.205 -6.940 -3.945 177 HE2 PHE 22 HE2 PHE 22 13.100 -3.750 -6.109 178 HZ PHE 22 HZ PHE 22 12.385 -6.120 -5.966 179 H PHE 23 H PHE 23 12.943 -0.655 0.090 180 HA PHE 23 HA PHE 23 15.569 -0.588 -1.340 181 HB2 PHE 23 HB2 PHE 23 13.723 1.581 -0.292 182 HB3 PHE 23 HB3 PHE 23 15.273 1.894 -1.073 183 HD1 PHE 23 HD1 PHE 23 15.622 0.736 -3.419 184 HD2 PHE 23 HD2 PHE 23 11.795 1.445 -1.605 185 HE1 PHE 23 HE1 PHE 23 14.532 0.544 -5.639 186 HE2 PHE 23 HE2 PHE 23 10.705 1.254 -3.823 187 HZ PHE 23 HZ PHE 23 12.075 0.803 -5.842 188 H TYR 24 H TYR 24 14.519 1.331 1.456 189 HA TYR 24 HA TYR 24 15.601 1.747 3.516 190 HB2 TYR 24 HB2 TYR 24 14.661 -0.720 3.447 191 HB3 TYR 24 HB3 TYR 24 16.365 -1.161 3.472 192 HD1 TYR 24 HD1 TYR 24 13.915 1.073 5.229 193 HD2 TYR 24 HD2 TYR 24 17.477 -1.310 5.527 194 HE1 TYR 24 HE1 TYR 24 13.981 1.478 7.674 195 HE2 TYR 24 HE2 TYR 24 17.542 -0.905 7.973 196 HH TYR 24 HH TYR 24 15.282 -0.147 9.771 197 H LYS 25 H LYS 25 17.262 2.422 1.370 198 HA LYS 25 HA LYS 25 19.955 1.789 2.490 199 HB2 LYS 25 HB2 LYS 25 18.792 0.949 -0.079 200 HB3 LYS 25 HB3 LYS 25 20.353 1.750 -0.249 201 HG2 LYS 25 HG2 LYS 25 21.101 0.192 1.704 202 HG3 LYS 25 HG3 LYS 25 19.681 -0.761 1.271 203 HD2 LYS 25 HD2 LYS 25 20.611 -1.503 -0.668 204 HD3 LYS 25 HD3 LYS 25 21.347 0.059 -1.025 205 HE2 LYS 25 HE2 LYS 25 22.554 -1.240 1.319 206 HE3 LYS 25 HE3 LYS 25 22.734 -2.187 -0.169 207 HZ1 LYS 25 HZ1 LYS 25 23.287 0.729 0.028 208 HZ2 LYS 25 HZ2 LYS 25 23.583 -0.278 -1.309 209 HZ3 LYS 25 HZ3 LYS 25 24.483 -0.469 0.119 Start of MODEL 5 1 HA HIS 1 HA HIS 1 -19.744 5.631 6.755 2 HB2 HIS 1 HB2 HIS 1 -18.887 4.983 9.487 3 HB3 HIS 1 HB3 HIS 1 -17.949 4.130 8.262 4 HD1 HIS 1 HD1 HIS 1 -18.183 7.338 9.933 5 HD2 HIS 1 HD2 HIS 1 -16.925 6.045 6.174 6 HE1 HIS 1 HE1 HIS 1 -16.789 9.215 8.960 7 H ALA 2 H ALA 2 -18.462 3.753 5.718 8 HA ALA 2 HA ALA 2 -19.971 1.167 5.954 9 HB1 ALA 2 HB1 ALA 2 -19.483 1.143 3.380 10 HB2 ALA 2 HB2 ALA 2 -19.234 2.877 3.584 11 HB3 ALA 2 HB3 ALA 2 -20.793 2.157 3.984 12 H TRP 3 H TRP 3 -18.639 -0.629 4.754 13 HA TRP 3 HA TRP 3 -15.819 -0.437 5.708 14 HB2 TRP 3 HB2 TRP 3 -17.877 -2.352 5.847 15 HB3 TRP 3 HB3 TRP 3 -16.720 -3.019 4.698 16 HD1 TRP 3 HD1 TRP 3 -16.638 -1.358 8.201 17 HE1 TRP 3 HE1 TRP 3 -14.807 -2.525 9.594 18 HE3 TRP 3 HE3 TRP 3 -14.820 -4.619 4.714 19 HZ2 TRP 3 HZ2 TRP 3 -12.834 -4.571 9.270 20 HZ3 TRP 3 HZ3 TRP 3 -12.967 -6.164 5.284 21 HH2 TRP 3 HH2 TRP 3 -11.973 -6.144 7.555 22 H TYR 4 H TYR 4 -15.265 0.938 3.770 23 HA TYR 4 HA TYR 4 -14.626 -0.798 1.417 24 HB2 TYR 4 HB2 TYR 4 -15.409 1.005 -0.069 25 HB3 TYR 4 HB3 TYR 4 -16.708 0.490 1.002 26 HD1 TYR 4 HD1 TYR 4 -17.400 1.901 2.914 27 HD2 TYR 4 HD2 TYR 4 -14.406 3.207 0.126 28 HE1 TYR 4 HE1 TYR 4 -17.639 4.224 3.745 29 HE2 TYR 4 HE2 TYR 4 -14.645 5.531 0.959 30 HH TYR 4 HH TYR 4 -15.527 6.523 3.410 31 H SER 5 H SER 5 -13.123 0.597 3.778 32 HA SER 5 HA SER 5 -11.217 2.238 2.152 33 HB2 SER 5 HB2 SER 5 -11.679 1.992 5.141 34 HB3 SER 5 HB3 SER 5 -10.534 3.093 4.381 35 HG SER 5 HG SER 5 -12.202 4.382 4.322 36 H HIS 6 H HIS 6 -11.385 -0.854 2.467 37 HA HIS 6 HA HIS 6 -8.767 -1.385 3.773 38 HB2 HIS 6 HB2 HIS 6 -11.201 -2.932 2.984 39 HB3 HIS 6 HB3 HIS 6 -9.671 -3.806 3.061 40 HD1 HIS 6 HD1 HIS 6 -8.473 -3.929 5.390 41 HD2 HIS 6 HD2 HIS 6 -12.217 -2.096 5.491 42 HE1 HIS 6 HE1 HIS 6 -9.121 -3.759 7.832 43 H TYR 7 H TYR 7 -10.390 -1.676 0.625 44 HA TYR 7 HA TYR 7 -8.229 -2.944 -0.779 45 HB2 TYR 7 HB2 TYR 7 -10.686 -1.369 -1.432 46 HB3 TYR 7 HB3 TYR 7 -9.493 -1.573 -2.715 47 HD1 TYR 7 HD1 TYR 7 -8.598 -4.011 -3.084 48 HD2 TYR 7 HD2 TYR 7 -12.251 -3.066 -1.032 49 HE1 TYR 7 HE1 TYR 7 -9.418 -6.317 -3.483 50 HE2 TYR 7 HE2 TYR 7 -13.072 -5.371 -1.431 51 HH TYR 7 HH TYR 7 -12.226 -7.283 -3.541 52 H VAL 8 H VAL 8 -9.079 0.476 -0.295 53 HA VAL 8 HA VAL 8 -6.921 1.573 -1.853 54 HB VAL 8 HB VAL 8 -9.034 2.730 -1.101 55 HG11 VAL 8 HG11 VAL 8 -7.620 3.085 1.549 56 HG12 VAL 8 HG12 VAL 8 -8.811 1.812 1.286 57 HG13 VAL 8 HG13 VAL 8 -9.283 3.505 1.137 58 HG21 VAL 8 HG21 VAL 8 -7.052 3.995 -1.911 59 HG22 VAL 8 HG22 VAL 8 -6.455 4.090 -0.254 60 HG23 VAL 8 HG23 VAL 8 -7.960 4.898 -0.698 61 H LEU 9 H LEU 9 -7.175 0.444 1.474 62 HA LEU 9 HA LEU 9 -4.594 1.532 2.320 63 HB2 LEU 9 HB2 LEU 9 -6.765 0.875 3.660 64 HB3 LEU 9 HB3 LEU 9 -6.067 -0.745 3.631 65 HG LEU 9 HG LEU 9 -3.900 0.396 4.480 66 HD11 LEU 9 HD11 LEU 9 -4.460 2.446 5.879 67 HD12 LEU 9 HD12 LEU 9 -5.987 2.527 5.001 68 HD13 LEU 9 HD13 LEU 9 -4.462 2.705 4.134 69 HD21 LEU 9 HD21 LEU 9 -5.429 -1.088 5.815 70 HD22 LEU 9 HD22 LEU 9 -6.316 0.351 6.315 71 HD23 LEU 9 HD23 LEU 9 -4.629 0.147 6.787 72 H LYS 10 H LYS 10 -5.834 -1.567 1.083 73 HA LYS 10 HA LYS 10 -3.505 -3.170 1.572 74 HB2 LYS 10 HB2 LYS 10 -5.982 -3.665 0.754 75 HB3 LYS 10 HB3 LYS 10 -5.256 -3.516 -0.846 76 HG2 LYS 10 HG2 LYS 10 -4.814 -5.740 -0.540 77 HG3 LYS 10 HG3 LYS 10 -3.420 -5.115 0.342 78 HD2 LYS 10 HD2 LYS 10 -4.763 -5.182 2.443 79 HD3 LYS 10 HD3 LYS 10 -6.092 -5.910 1.539 80 HE2 LYS 10 HE2 LYS 10 -4.688 -7.843 0.964 81 HE3 LYS 10 HE3 LYS 10 -3.307 -7.107 1.801 82 HZ1 LYS 10 HZ1 LYS 10 -4.602 -7.049 3.838 83 HZ2 LYS 10 HZ2 LYS 10 -4.510 -8.643 3.256 84 HZ3 LYS 10 HZ3 LYS 10 -5.934 -7.741 3.048 85 H PHE 11 H PHE 11 -4.486 -1.213 -1.261 86 HA PHE 11 HA PHE 11 -2.234 -1.832 -2.928 87 HB2 PHE 11 HB2 PHE 11 -4.298 -0.820 -3.752 88 HB3 PHE 11 HB3 PHE 11 -4.069 0.583 -2.710 89 HD1 PHE 11 HD1 PHE 11 -2.462 -1.313 -5.511 90 HD2 PHE 11 HD2 PHE 11 -2.848 2.447 -3.470 91 HE1 PHE 11 HE1 PHE 11 -1.116 -0.215 -7.280 92 HE2 PHE 11 HE2 PHE 11 -1.503 3.546 -5.239 93 HZ PHE 11 HZ PHE 11 -0.637 2.215 -7.145 94 H PHE 12 H PHE 12 -2.784 0.748 -0.517 95 HA PHE 12 HA PHE 12 -0.339 2.189 -0.941 96 HB2 PHE 12 HB2 PHE 12 -2.508 1.973 1.061 97 HB3 PHE 12 HB3 PHE 12 -0.972 2.549 1.708 98 HD1 PHE 12 HD1 PHE 12 -3.352 3.105 -1.133 99 HD2 PHE 12 HD2 PHE 12 -0.345 4.790 1.428 100 HE1 PHE 12 HE1 PHE 12 -3.770 5.341 -2.115 101 HE2 PHE 12 HE2 PHE 12 -0.762 7.029 0.444 102 HZ PHE 12 HZ PHE 12 -2.475 7.303 -1.328 103 H LEU 13 H LEU 13 -1.164 -0.545 1.204 104 HA LEU 13 HA LEU 13 1.353 -0.686 2.593 105 HB2 LEU 13 HB2 LEU 13 -0.842 -1.735 3.233 106 HB3 LEU 13 HB3 LEU 13 -0.633 -2.882 1.910 107 HG LEU 13 HG LEU 13 1.721 -2.687 3.662 108 HD11 LEU 13 HD11 LEU 13 -0.856 -3.835 4.777 109 HD12 LEU 13 HD12 LEU 13 -0.115 -2.330 5.318 110 HD13 LEU 13 HD13 LEU 13 0.726 -3.861 5.556 111 HD21 LEU 13 HD21 LEU 13 -0.042 -5.014 2.824 112 HD22 LEU 13 HD22 LEU 13 1.589 -5.125 3.487 113 HD23 LEU 13 HD23 LEU 13 1.332 -4.412 1.894 114 H LEU 14 H LEU 14 0.190 -2.102 -0.456 115 HA LEU 14 HA LEU 14 2.523 -3.792 -0.875 116 HB2 LEU 14 HB2 LEU 14 0.006 -3.787 -1.781 117 HB3 LEU 14 HB3 LEU 14 0.743 -2.865 -3.092 118 HG LEU 14 HG LEU 14 2.539 -4.777 -3.074 119 HD11 LEU 14 HD11 LEU 14 1.627 -5.815 -0.987 120 HD12 LEU 14 HD12 LEU 14 1.677 -6.937 -2.347 121 HD13 LEU 14 HD13 LEU 14 0.147 -6.201 -1.866 122 HD21 LEU 14 HD21 LEU 14 1.046 -4.375 -4.956 123 HD22 LEU 14 HD22 LEU 14 -0.294 -5.139 -4.101 124 HD23 LEU 14 HD23 LEU 14 1.083 -6.107 -4.626 125 H VAL 15 H VAL 15 1.646 -0.491 -1.739 126 HA VAL 15 HA VAL 15 3.991 -0.237 -3.552 127 HB VAL 15 HB VAL 15 1.644 1.539 -2.811 128 HG11 VAL 15 HG11 VAL 15 4.178 2.141 -4.240 129 HG12 VAL 15 HG12 VAL 15 3.081 3.227 -3.385 130 HG13 VAL 15 HG13 VAL 15 2.701 2.701 -5.025 131 HG21 VAL 15 HG21 VAL 15 1.638 -0.593 -4.443 132 HG22 VAL 15 HG22 VAL 15 2.249 0.606 -5.582 133 HG23 VAL 15 HG23 VAL 15 0.690 0.851 -4.795 134 H PHE 16 H PHE 16 2.625 1.651 -0.810 135 HA PHE 16 HA PHE 16 5.019 3.150 -0.303 136 HB2 PHE 16 HB2 PHE 16 2.544 3.516 0.394 137 HB3 PHE 16 HB3 PHE 16 2.919 2.453 1.750 138 HD1 PHE 16 HD1 PHE 16 4.133 5.532 -0.002 139 HD2 PHE 16 HD2 PHE 16 3.965 3.312 3.672 140 HE1 PHE 16 HE1 PHE 16 5.195 7.428 1.192 141 HE2 PHE 16 HE2 PHE 16 5.028 5.209 4.865 142 HZ PHE 16 HZ PHE 16 5.643 7.267 3.625 143 H GLY 17 H GLY 17 4.020 -0.076 0.702 144 HA2 GLY 17 HA2 GLY 17 5.617 -0.416 3.019 145 HA3 GLY 17 HA3 GLY 17 5.175 -1.721 1.919 146 H GLU 18 H GLU 18 6.467 -1.156 -0.392 147 HA GLU 18 HA GLU 18 9.192 -1.872 0.109 148 HB2 GLU 18 HB2 GLU 18 7.577 -0.891 -2.234 149 HB3 GLU 18 HB3 GLU 18 9.320 -1.102 -2.404 150 HG2 GLU 18 HG2 GLU 18 7.651 -3.309 -1.221 151 HG3 GLU 18 HG3 GLU 18 7.735 -3.110 -2.972 152 H ASN 19 H ASN 19 7.634 1.255 -0.372 153 HA ASN 19 HA ASN 19 9.992 2.835 -0.810 154 HB2 ASN 19 HB2 ASN 19 7.155 3.261 0.036 155 HB3 ASN 19 HB3 ASN 19 8.288 4.592 0.265 156 HD21 ASN 19 HD21 ASN 19 6.510 2.754 -2.132 157 HD22 ASN 19 HD22 ASN 19 7.033 3.640 -3.481 158 H GLY 20 H GLY 20 8.686 1.384 2.069 159 HA2 GLY 20 HA2 GLY 20 10.511 3.041 3.761 160 HA3 GLY 20 HA3 GLY 20 9.069 2.229 4.365 161 H VAL 21 H VAL 21 9.528 -0.297 2.993 162 HA VAL 21 HA VAL 21 11.167 -1.632 4.926 163 HB VAL 21 HB VAL 21 10.104 -2.409 2.193 164 HG11 VAL 21 HG11 VAL 21 11.550 -4.029 4.296 165 HG12 VAL 21 HG12 VAL 21 11.871 -3.950 2.563 166 HG13 VAL 21 HG13 VAL 21 10.434 -4.782 3.155 167 HG21 VAL 21 HG21 VAL 21 8.491 -1.849 4.072 168 HG22 VAL 21 HG22 VAL 21 9.173 -3.205 4.967 169 HG23 VAL 21 HG23 VAL 21 8.341 -3.487 3.438 170 H PHE 22 H PHE 22 11.993 -0.123 1.870 171 HA PHE 22 HA PHE 22 14.361 -1.489 1.168 172 HB2 PHE 22 HB2 PHE 22 14.691 0.321 -0.259 173 HB3 PHE 22 HB3 PHE 22 12.982 0.513 0.115 174 HD1 PHE 22 HD1 PHE 22 12.415 2.013 2.198 175 HD2 PHE 22 HD2 PHE 22 16.170 2.097 0.114 176 HE1 PHE 22 HE1 PHE 22 12.878 4.264 3.125 177 HE2 PHE 22 HE2 PHE 22 16.633 4.350 1.041 178 HZ PHE 22 HZ PHE 22 14.988 5.433 2.548 179 H PHE 23 H PHE 23 13.809 0.718 3.826 180 HA PHE 23 HA PHE 23 16.545 0.175 4.839 181 HB2 PHE 23 HB2 PHE 23 15.910 2.477 3.392 182 HB3 PHE 23 HB3 PHE 23 15.824 3.002 5.073 183 HD1 PHE 23 HD1 PHE 23 17.791 2.683 6.588 184 HD2 PHE 23 HD2 PHE 23 17.998 1.893 2.370 185 HE1 PHE 23 HE1 PHE 23 20.268 2.722 6.701 186 HE2 PHE 23 HE2 PHE 23 20.474 1.934 2.484 187 HZ PHE 23 HZ PHE 23 21.609 2.347 4.649 188 H TYR 24 H TYR 24 13.745 -0.509 5.636 189 HA TYR 24 HA TYR 24 12.257 -0.394 7.462 190 HB2 TYR 24 HB2 TYR 24 13.471 -0.969 9.523 191 HB3 TYR 24 HB3 TYR 24 14.119 -1.832 8.136 192 HD1 TYR 24 HD1 TYR 24 14.709 1.016 10.458 193 HD2 TYR 24 HD2 TYR 24 16.381 -1.504 7.404 194 HE1 TYR 24 HE1 TYR 24 16.965 1.914 10.952 195 HE2 TYR 24 HE2 TYR 24 18.637 -0.601 7.899 196 HH TYR 24 HH TYR 24 19.538 0.768 10.513 197 H LYS 25 H LYS 25 13.004 2.318 6.476 198 HA LYS 25 HA LYS 25 12.827 4.575 7.138 199 HB2 LYS 25 HB2 LYS 25 11.036 2.969 8.957 200 HB3 LYS 25 HB3 LYS 25 11.125 4.722 9.125 201 HG2 LYS 25 HG2 LYS 25 9.747 4.980 7.368 202 HG3 LYS 25 HG3 LYS 25 10.879 4.102 6.339 203 HD2 LYS 25 HD2 LYS 25 8.862 2.852 6.227 204 HD3 LYS 25 HD3 LYS 25 9.886 1.959 7.353 205 HE2 LYS 25 HE2 LYS 25 8.732 3.332 9.218 206 HE3 LYS 25 HE3 LYS 25 7.527 3.747 7.983 207 HZ1 LYS 25 HZ1 LYS 25 7.233 1.395 7.517 208 HZ2 LYS 25 HZ2 LYS 25 6.923 1.706 9.158 209 HZ3 LYS 25 HZ3 LYS 25 8.391 0.988 8.690 Start of MODEL 6 1 HA HIS 1 HA HIS 1 -21.255 1.934 -2.603 2 HB2 HIS 1 HB2 HIS 1 -22.237 -0.797 -3.394 3 HB3 HIS 1 HB3 HIS 1 -22.988 0.020 -2.023 4 HD1 HIS 1 HD1 HIS 1 -23.046 -0.122 -5.668 5 HD2 HIS 1 HD2 HIS 1 -24.012 2.722 -2.775 6 HE1 HIS 1 HE1 HIS 1 -24.482 1.617 -6.822 7 H ALA 2 H ALA 2 -20.699 -1.537 -1.829 8 HA ALA 2 HA ALA 2 -19.643 -0.665 0.847 9 HB1 ALA 2 HB1 ALA 2 -20.694 -2.705 1.707 10 HB2 ALA 2 HB2 ALA 2 -21.154 -3.184 0.073 11 HB3 ALA 2 HB3 ALA 2 -21.891 -1.764 0.817 12 H TRP 3 H TRP 3 -18.252 -2.539 1.826 13 HA TRP 3 HA TRP 3 -16.203 -3.704 1.694 14 HB2 TRP 3 HB2 TRP 3 -18.169 -5.142 0.639 15 HB3 TRP 3 HB3 TRP 3 -17.249 -4.915 -0.847 16 HD1 TRP 3 HD1 TRP 3 -14.605 -5.691 -0.733 17 HE1 TRP 3 HE1 TRP 3 -13.548 -7.671 0.532 18 HE3 TRP 3 HE3 TRP 3 -18.300 -6.646 2.660 19 HZ2 TRP 3 HZ2 TRP 3 -14.184 -9.429 2.698 20 HZ3 TRP 3 HZ3 TRP 3 -18.050 -8.477 4.310 21 HH2 TRP 3 HH2 TRP 3 -15.998 -9.869 4.333 22 H TYR 4 H TYR 4 -15.589 -1.277 0.845 23 HA TYR 4 HA TYR 4 -13.771 -1.732 -1.458 24 HB2 TYR 4 HB2 TYR 4 -14.708 0.027 -2.769 25 HB3 TYR 4 HB3 TYR 4 -16.094 -0.896 -2.193 26 HD1 TYR 4 HD1 TYR 4 -17.184 -0.082 0.050 27 HD2 TYR 4 HD2 TYR 4 -14.606 2.339 -2.389 28 HE1 TYR 4 HE1 TYR 4 -18.096 1.962 1.115 29 HE2 TYR 4 HE2 TYR 4 -15.519 4.383 -1.324 30 HH TYR 4 HH TYR 4 -18.252 4.597 0.199 31 H SER 5 H SER 5 -13.713 -1.000 1.577 32 HA SER 5 HA SER 5 -12.105 1.519 1.336 33 HB2 SER 5 HB2 SER 5 -13.423 0.299 3.779 34 HB3 SER 5 HB3 SER 5 -12.757 1.923 3.636 35 HG SER 5 HG SER 5 -15.164 0.887 2.753 36 H HIS 6 H HIS 6 -11.622 -1.744 1.475 37 HA HIS 6 HA HIS 6 -9.304 -1.584 3.353 38 HB2 HIS 6 HB2 HIS 6 -11.301 -3.337 3.342 39 HB3 HIS 6 HB3 HIS 6 -10.319 -4.112 2.098 40 HD1 HIS 6 HD1 HIS 6 -7.959 -4.997 2.810 41 HD2 HIS 6 HD2 HIS 6 -10.215 -3.455 5.958 42 HE1 HIS 6 HE1 HIS 6 -6.803 -5.723 4.943 43 H TYR 7 H TYR 7 -10.188 -2.187 -0.002 44 HA TYR 7 HA TYR 7 -7.715 -3.294 -0.931 45 HB2 TYR 7 HB2 TYR 7 -9.865 -1.600 -2.242 46 HB3 TYR 7 HB3 TYR 7 -8.558 -2.364 -3.144 47 HD1 TYR 7 HD1 TYR 7 -8.258 -4.924 -2.871 48 HD2 TYR 7 HD2 TYR 7 -11.821 -2.809 -1.731 49 HE1 TYR 7 HE1 TYR 7 -9.541 -7.046 -2.936 50 HE2 TYR 7 HE2 TYR 7 -13.100 -4.931 -1.795 51 HH TYR 7 HH TYR 7 -11.812 -7.862 -1.684 52 H VAL 8 H VAL 8 -8.861 0.061 -0.690 53 HA VAL 8 HA VAL 8 -6.553 1.330 -1.809 54 HB VAL 8 HB VAL 8 -8.793 2.368 -1.423 55 HG11 VAL 8 HG11 VAL 8 -9.073 1.308 0.872 56 HG12 VAL 8 HG12 VAL 8 -9.517 3.011 0.770 57 HG13 VAL 8 HG13 VAL 8 -7.975 2.543 1.487 58 HG21 VAL 8 HG21 VAL 8 -7.947 4.548 -0.596 59 HG22 VAL 8 HG22 VAL 8 -6.828 3.813 -1.744 60 HG23 VAL 8 HG23 VAL 8 -6.484 3.751 -0.016 61 H LEU 9 H LEU 9 -7.252 0.069 1.401 62 HA LEU 9 HA LEU 9 -4.996 1.297 2.759 63 HB2 LEU 9 HB2 LEU 9 -7.284 0.066 3.514 64 HB3 LEU 9 HB3 LEU 9 -6.179 -1.299 3.655 65 HG LEU 9 HG LEU 9 -6.349 -0.067 5.789 66 HD11 LEU 9 HD11 LEU 9 -4.045 -0.029 6.257 67 HD12 LEU 9 HD12 LEU 9 -3.633 0.565 4.649 68 HD13 LEU 9 HD13 LEU 9 -4.148 -1.107 4.866 69 HD21 LEU 9 HD21 LEU 9 -5.000 2.271 4.440 70 HD22 LEU 9 HD22 LEU 9 -5.813 2.221 6.004 71 HD23 LEU 9 HD23 LEU 9 -6.759 2.162 4.517 72 H LYS 10 H LYS 10 -5.593 -1.902 1.261 73 HA LYS 10 HA LYS 10 -2.979 -2.992 1.877 74 HB2 LYS 10 HB2 LYS 10 -5.449 -3.735 0.571 75 HB3 LYS 10 HB3 LYS 10 -4.086 -4.201 -0.446 76 HG2 LYS 10 HG2 LYS 10 -4.477 -6.047 1.025 77 HG3 LYS 10 HG3 LYS 10 -3.039 -5.228 1.637 78 HD2 LYS 10 HD2 LYS 10 -5.220 -3.932 2.866 79 HD3 LYS 10 HD3 LYS 10 -5.589 -5.654 2.948 80 HE2 LYS 10 HE2 LYS 10 -2.849 -4.613 3.705 81 HE3 LYS 10 HE3 LYS 10 -4.174 -4.682 4.883 82 HZ1 LYS 10 HZ1 LYS 10 -3.100 -6.936 3.270 83 HZ2 LYS 10 HZ2 LYS 10 -4.518 -7.031 4.204 84 HZ3 LYS 10 HZ3 LYS 10 -3.018 -6.759 4.955 85 H PHE 11 H PHE 11 -4.377 -1.406 -1.005 86 HA PHE 11 HA PHE 11 -2.152 -1.663 -2.761 87 HB2 PHE 11 HB2 PHE 11 -4.510 -0.912 -3.267 88 HB3 PHE 11 HB3 PHE 11 -4.116 0.641 -2.529 89 HD1 PHE 11 HD1 PHE 11 -3.160 -1.702 -5.266 90 HD2 PHE 11 HD2 PHE 11 -2.898 2.298 -3.722 91 HE1 PHE 11 HE1 PHE 11 -2.139 -0.946 -7.396 92 HE2 PHE 11 HE2 PHE 11 -1.878 3.053 -5.852 93 HZ PHE 11 HZ PHE 11 -1.498 1.431 -7.689 94 H PHE 12 H PHE 12 -2.917 0.897 -0.368 95 HA PHE 12 HA PHE 12 -0.694 2.610 -0.982 96 HB2 PHE 12 HB2 PHE 12 -2.883 2.886 0.471 97 HB3 PHE 12 HB3 PHE 12 -1.853 2.304 1.777 98 HD1 PHE 12 HD1 PHE 12 0.357 3.517 2.219 99 HD2 PHE 12 HD2 PHE 12 -2.744 5.126 -0.283 100 HE1 PHE 12 HE1 PHE 12 1.350 5.778 2.442 101 HE2 PHE 12 HE2 PHE 12 -1.750 7.387 -0.058 102 HZ PHE 12 HZ PHE 12 0.297 7.713 1.305 103 H LEU 13 H LEU 13 -1.095 0.023 1.468 104 HA LEU 13 HA LEU 13 1.556 0.242 2.580 105 HB2 LEU 13 HB2 LEU 13 -0.660 -0.918 3.391 106 HB3 LEU 13 HB3 LEU 13 -0.056 -2.302 2.478 107 HG LEU 13 HG LEU 13 1.959 -1.017 4.210 108 HD11 LEU 13 HD11 LEU 13 1.082 -1.759 6.300 109 HD12 LEU 13 HD12 LEU 13 -0.229 -2.643 5.520 110 HD13 LEU 13 HD13 LEU 13 -0.236 -0.880 5.526 111 HD21 LEU 13 HD21 LEU 13 2.132 -3.203 2.896 112 HD22 LEU 13 HD22 LEU 13 1.020 -3.894 4.078 113 HD23 LEU 13 HD23 LEU 13 2.596 -3.294 4.595 114 H LEU 14 H LEU 14 0.234 -1.492 -0.206 115 HA LEU 14 HA LEU 14 2.530 -3.221 -0.621 116 HB2 LEU 14 HB2 LEU 14 -0.070 -3.026 -1.527 117 HB3 LEU 14 HB3 LEU 14 0.852 -2.508 -2.937 118 HG LEU 14 HG LEU 14 2.221 -4.750 -1.885 119 HD11 LEU 14 HD11 LEU 14 -0.772 -4.974 -1.762 120 HD12 LEU 14 HD12 LEU 14 0.441 -5.642 -0.670 121 HD13 LEU 14 HD13 LEU 14 0.175 -6.379 -2.251 122 HD21 LEU 14 HD21 LEU 14 2.078 -4.116 -4.254 123 HD22 LEU 14 HD22 LEU 14 0.349 -4.462 -4.261 124 HD23 LEU 14 HD23 LEU 14 1.510 -5.771 -4.042 125 H VAL 15 H VAL 15 1.809 0.089 -1.423 126 HA VAL 15 HA VAL 15 4.066 0.191 -3.380 127 HB VAL 15 HB VAL 15 1.771 2.058 -2.683 128 HG11 VAL 15 HG11 VAL 15 4.245 2.470 -4.318 129 HG12 VAL 15 HG12 VAL 15 3.346 3.626 -3.335 130 HG13 VAL 15 HG13 VAL 15 2.733 3.150 -4.919 131 HG21 VAL 15 HG21 VAL 15 2.284 0.947 -5.412 132 HG22 VAL 15 HG22 VAL 15 0.751 1.298 -4.613 133 HG23 VAL 15 HG23 VAL 15 1.652 -0.158 -4.190 134 H PHE 16 H PHE 16 2.759 2.204 -0.701 135 HA PHE 16 HA PHE 16 5.245 3.613 -0.253 136 HB2 PHE 16 HB2 PHE 16 2.523 3.493 0.779 137 HB3 PHE 16 HB3 PHE 16 3.688 3.690 2.087 138 HD1 PHE 16 HD1 PHE 16 5.270 5.615 2.084 139 HD2 PHE 16 HD2 PHE 16 2.148 5.235 -0.843 140 HE1 PHE 16 HE1 PHE 16 5.543 8.004 1.480 141 HE2 PHE 16 HE2 PHE 16 2.422 7.623 -1.446 142 HZ PHE 16 HZ PHE 16 4.120 9.009 -0.284 143 H GLY 17 H GLY 17 3.775 0.696 1.176 144 HA2 GLY 17 HA2 GLY 17 5.640 0.409 3.346 145 HA3 GLY 17 HA3 GLY 17 4.669 -0.896 2.659 146 H GLU 18 H GLU 18 5.579 -0.915 0.023 147 HA GLU 18 HA GLU 18 7.990 -2.435 0.182 148 HB2 GLU 18 HB2 GLU 18 6.046 -1.637 -1.745 149 HB3 GLU 18 HB3 GLU 18 7.628 -1.244 -2.416 150 HG2 GLU 18 HG2 GLU 18 8.198 -3.428 -2.663 151 HG3 GLU 18 HG3 GLU 18 7.523 -3.875 -1.097 152 H ASN 19 H ASN 19 7.417 0.993 -0.530 153 HA ASN 19 HA ASN 19 10.044 1.734 -1.352 154 HB2 ASN 19 HB2 ASN 19 7.614 3.030 -0.233 155 HB3 ASN 19 HB3 ASN 19 9.111 3.950 -0.094 156 HD21 ASN 19 HD21 ASN 19 6.738 2.691 -2.372 157 HD22 ASN 19 HD22 ASN 19 7.387 3.445 -3.746 158 H GLY 20 H GLY 20 8.687 1.153 1.841 159 HA2 GLY 20 HA2 GLY 20 11.127 2.162 3.179 160 HA3 GLY 20 HA3 GLY 20 9.665 1.594 3.988 161 H VAL 21 H VAL 21 9.377 -0.898 2.627 162 HA VAL 21 HA VAL 21 11.130 -2.577 4.171 163 HB VAL 21 HB VAL 21 9.272 -3.048 1.822 164 HG11 VAL 21 HG11 VAL 21 10.832 -5.011 3.518 165 HG12 VAL 21 HG12 VAL 21 10.788 -4.893 1.759 166 HG13 VAL 21 HG13 VAL 21 9.374 -5.472 2.639 167 HG21 VAL 21 HG21 VAL 21 8.977 -3.722 4.766 168 HG22 VAL 21 HG22 VAL 21 7.736 -3.847 3.519 169 HG23 VAL 21 HG23 VAL 21 8.322 -2.262 4.024 170 H PHE 22 H PHE 22 11.174 -1.598 0.749 171 HA PHE 22 HA PHE 22 13.493 -3.266 0.110 172 HB2 PHE 22 HB2 PHE 22 11.764 -1.232 -1.257 173 HB3 PHE 22 HB3 PHE 22 13.309 -1.654 -1.990 174 HD1 PHE 22 HD1 PHE 22 10.206 -3.205 -0.573 175 HD2 PHE 22 HD2 PHE 22 13.511 -3.600 -3.290 176 HE1 PHE 22 HE1 PHE 22 9.221 -5.296 -1.469 177 HE2 PHE 22 HE2 PHE 22 12.524 -5.690 -4.185 178 HZ PHE 22 HZ PHE 22 10.379 -6.538 -3.275 179 H PHE 23 H PHE 23 13.206 -0.368 1.808 180 HA PHE 23 HA PHE 23 15.956 0.508 0.986 181 HB2 PHE 23 HB2 PHE 23 13.421 1.917 1.754 182 HB3 PHE 23 HB3 PHE 23 14.958 2.696 2.129 183 HD1 PHE 23 HD1 PHE 23 12.941 1.221 -0.639 184 HD2 PHE 23 HD2 PHE 23 16.273 3.716 0.427 185 HE1 PHE 23 HE1 PHE 23 13.153 1.947 -3.000 186 HE2 PHE 23 HE2 PHE 23 16.483 4.441 -1.934 187 HZ PHE 23 HZ PHE 23 14.923 3.557 -3.648 188 H TYR 24 H TYR 24 15.218 -1.558 3.027 189 HA TYR 24 HA TYR 24 16.643 -0.338 5.344 190 HB2 TYR 24 HB2 TYR 24 13.839 -0.935 5.159 191 HB3 TYR 24 HB3 TYR 24 14.565 -2.026 6.335 192 HD1 TYR 24 HD1 TYR 24 16.139 -0.974 8.112 193 HD2 TYR 24 HD2 TYR 24 13.344 1.285 5.758 194 HE1 TYR 24 HE1 TYR 24 16.231 0.867 9.771 195 HE2 TYR 24 HE2 TYR 24 13.436 3.126 7.417 196 HH TYR 24 HH TYR 24 15.536 3.781 9.320 197 H LYS 25 H LYS 25 18.095 -1.910 3.840 198 HA LYS 25 HA LYS 25 17.979 -4.639 5.085 199 HB2 LYS 25 HB2 LYS 25 17.299 -4.583 2.700 200 HB3 LYS 25 HB3 LYS 25 18.837 -3.826 2.287 201 HG2 LYS 25 HG2 LYS 25 19.044 -6.194 1.843 202 HG3 LYS 25 HG3 LYS 25 20.003 -5.831 3.278 203 HD2 LYS 25 HD2 LYS 25 17.559 -6.383 4.393 204 HD3 LYS 25 HD3 LYS 25 17.566 -7.476 3.010 205 HE2 LYS 25 HE2 LYS 25 18.660 -8.807 4.582 206 HE3 LYS 25 HE3 LYS 25 20.055 -7.968 3.878 207 HZ1 LYS 25 HZ1 LYS 25 19.842 -6.252 5.575 208 HZ2 LYS 25 HZ2 LYS 25 20.052 -7.777 6.298 209 HZ3 LYS 25 HZ3 LYS 25 18.513 -7.060 6.256 Start of MODEL 7 1 HA HIS 1 HA HIS 1 -24.357 -3.128 2.392 2 HB2 HIS 1 HB2 HIS 1 -24.130 -1.006 3.753 3 HB3 HIS 1 HB3 HIS 1 -22.690 -0.625 2.810 4 HD1 HIS 1 HD1 HIS 1 -26.428 -1.066 2.450 5 HD2 HIS 1 HD2 HIS 1 -23.199 0.322 0.206 6 HE1 HIS 1 HE1 HIS 1 -27.407 0.031 0.388 7 H ALA 2 H ALA 2 -21.071 -1.675 2.089 8 HA ALA 2 HA ALA 2 -20.682 -3.266 -0.419 9 HB1 ALA 2 HB1 ALA 2 -21.549 -1.011 -0.953 10 HB2 ALA 2 HB2 ALA 2 -19.882 -1.187 -1.503 11 HB3 ALA 2 HB3 ALA 2 -20.234 -0.287 -0.027 12 H TRP 3 H TRP 3 -18.414 -3.580 -0.958 13 HA TRP 3 HA TRP 3 -16.531 -2.997 1.308 14 HB2 TRP 3 HB2 TRP 3 -17.461 -5.439 0.255 15 HB3 TRP 3 HB3 TRP 3 -15.823 -5.267 -0.372 16 HD1 TRP 3 HD1 TRP 3 -14.285 -3.962 1.909 17 HE1 TRP 3 HE1 TRP 3 -13.950 -5.133 4.178 18 HE3 TRP 3 HE3 TRP 3 -18.149 -7.302 1.763 19 HZ2 TRP 3 HZ2 TRP 3 -15.153 -7.213 5.728 20 HZ3 TRP 3 HZ3 TRP 3 -18.528 -8.866 3.647 21 HH2 TRP 3 HH2 TRP 3 -17.037 -8.826 5.628 22 H TYR 4 H TYR 4 -15.653 -1.096 0.315 23 HA TYR 4 HA TYR 4 -13.836 -1.651 -1.979 24 HB2 TYR 4 HB2 TYR 4 -14.704 0.301 -3.192 25 HB3 TYR 4 HB3 TYR 4 -16.010 -0.836 -2.870 26 HD1 TYR 4 HD1 TYR 4 -17.701 -0.356 -1.127 27 HD2 TYR 4 HD2 TYR 4 -14.620 2.473 -2.111 28 HE1 TYR 4 HE1 TYR 4 -18.965 1.428 0.042 29 HE2 TYR 4 HE2 TYR 4 -15.884 4.256 -0.939 30 HH TYR 4 HH TYR 4 -17.989 3.907 1.211 31 H SER 5 H SER 5 -13.729 -0.844 1.046 32 HA SER 5 HA SER 5 -12.008 1.589 0.705 33 HB2 SER 5 HB2 SER 5 -14.167 1.622 2.106 34 HB3 SER 5 HB3 SER 5 -13.305 0.593 3.248 35 HG SER 5 HG SER 5 -12.329 2.315 3.930 36 H HIS 6 H HIS 6 -11.817 -1.730 1.203 37 HA HIS 6 HA HIS 6 -9.510 -1.604 3.065 38 HB2 HIS 6 HB2 HIS 6 -11.204 -3.790 1.839 39 HB3 HIS 6 HB3 HIS 6 -9.741 -4.157 2.751 40 HD1 HIS 6 HD1 HIS 6 -13.082 -2.395 3.191 41 HD2 HIS 6 HD2 HIS 6 -10.065 -4.084 5.519 42 HE1 HIS 6 HE1 HIS 6 -13.923 -2.374 5.578 43 H TYR 7 H TYR 7 -10.232 -2.065 -0.331 44 HA TYR 7 HA TYR 7 -7.717 -3.256 -1.111 45 HB2 TYR 7 HB2 TYR 7 -9.767 -1.589 -2.612 46 HB3 TYR 7 HB3 TYR 7 -8.469 -2.498 -3.383 47 HD1 TYR 7 HD1 TYR 7 -8.331 -5.042 -2.850 48 HD2 TYR 7 HD2 TYR 7 -11.820 -2.635 -2.149 49 HE1 TYR 7 HE1 TYR 7 -9.733 -7.087 -2.804 50 HE2 TYR 7 HE2 TYR 7 -13.221 -4.679 -2.102 51 HH TYR 7 HH TYR 7 -12.290 -7.532 -1.545 52 H VAL 8 H VAL 8 -8.938 0.083 -1.083 53 HA VAL 8 HA VAL 8 -6.581 1.350 -2.092 54 HB VAL 8 HB VAL 8 -8.832 2.380 -1.938 55 HG11 VAL 8 HG11 VAL 8 -9.378 1.367 0.311 56 HG12 VAL 8 HG12 VAL 8 -9.765 3.081 0.174 57 HG13 VAL 8 HG13 VAL 8 -8.318 2.572 1.043 58 HG21 VAL 8 HG21 VAL 8 -7.027 3.941 -2.144 59 HG22 VAL 8 HG22 VAL 8 -6.583 3.754 -0.447 60 HG23 VAL 8 HG23 VAL 8 -8.081 4.577 -0.881 61 H LEU 9 H LEU 9 -7.493 0.266 1.142 62 HA LEU 9 HA LEU 9 -5.276 1.585 2.516 63 HB2 LEU 9 HB2 LEU 9 -7.555 0.841 3.439 64 HB3 LEU 9 HB3 LEU 9 -6.917 -0.804 3.410 65 HG LEU 9 HG LEU 9 -5.147 1.204 4.676 66 HD11 LEU 9 HD11 LEU 9 -7.754 0.346 5.971 67 HD12 LEU 9 HD12 LEU 9 -7.337 1.989 5.480 68 HD13 LEU 9 HD13 LEU 9 -6.445 1.204 6.784 69 HD21 LEU 9 HD21 LEU 9 -4.965 -1.397 4.525 70 HD22 LEU 9 HD22 LEU 9 -6.147 -1.393 5.834 71 HD23 LEU 9 HD23 LEU 9 -4.581 -0.614 6.057 72 H LYS 10 H LYS 10 -5.936 -1.684 1.236 73 HA LYS 10 HA LYS 10 -3.453 -2.855 2.199 74 HB2 LYS 10 HB2 LYS 10 -5.588 -4.053 1.639 75 HB3 LYS 10 HB3 LYS 10 -5.302 -3.687 -0.063 76 HG2 LYS 10 HG2 LYS 10 -3.757 -5.329 -0.268 77 HG3 LYS 10 HG3 LYS 10 -2.970 -4.889 1.248 78 HD2 LYS 10 HD2 LYS 10 -3.827 -7.049 1.672 79 HD3 LYS 10 HD3 LYS 10 -5.022 -5.974 2.398 80 HE2 LYS 10 HE2 LYS 10 -5.589 -6.465 -0.433 81 HE3 LYS 10 HE3 LYS 10 -5.573 -7.963 0.520 82 HZ1 LYS 10 HZ1 LYS 10 -7.040 -6.973 2.123 83 HZ2 LYS 10 HZ2 LYS 10 -7.743 -6.804 0.586 84 HZ3 LYS 10 HZ3 LYS 10 -6.989 -5.473 1.328 85 H PHE 11 H PHE 11 -4.517 -1.396 -0.878 86 HA PHE 11 HA PHE 11 -2.168 -2.017 -2.414 87 HB2 PHE 11 HB2 PHE 11 -4.393 -1.301 -3.287 88 HB3 PHE 11 HB3 PHE 11 -4.121 0.305 -2.611 89 HD1 PHE 11 HD1 PHE 11 -2.956 -2.143 -5.141 90 HD2 PHE 11 HD2 PHE 11 -2.632 1.877 -3.661 91 HE1 PHE 11 HE1 PHE 11 -1.696 -1.494 -7.176 92 HE2 PHE 11 HE2 PHE 11 -1.373 2.525 -5.696 93 HZ PHE 11 HZ PHE 11 -0.905 0.840 -7.453 94 H PHE 12 H PHE 12 -3.065 0.894 -0.512 95 HA PHE 12 HA PHE 12 -0.717 2.428 -1.087 96 HB2 PHE 12 HB2 PHE 12 -3.035 2.936 0.100 97 HB3 PHE 12 HB3 PHE 12 -2.126 2.554 1.563 98 HD1 PHE 12 HD1 PHE 12 0.104 3.783 1.950 99 HD2 PHE 12 HD2 PHE 12 -2.820 5.044 -0.934 100 HE1 PHE 12 HE1 PHE 12 1.127 6.040 1.899 101 HE2 PHE 12 HE2 PHE 12 -1.794 7.302 -0.985 102 HZ PHE 12 HZ PHE 12 0.179 7.800 0.431 103 H LEU 13 H LEU 13 -1.442 0.180 1.606 104 HA LEU 13 HA LEU 13 1.015 0.508 3.036 105 HB2 LEU 13 HB2 LEU 13 -1.238 -0.655 3.630 106 HB3 LEU 13 HB3 LEU 13 -0.551 -2.066 2.825 107 HG LEU 13 HG LEU 13 1.541 -1.421 4.396 108 HD11 LEU 13 HD11 LEU 13 0.558 0.473 5.493 109 HD12 LEU 13 HD12 LEU 13 0.531 -0.846 6.664 110 HD13 LEU 13 HD13 LEU 13 -0.941 -0.401 5.801 111 HD21 LEU 13 HD21 LEU 13 -0.891 -2.940 5.391 112 HD22 LEU 13 HD22 LEU 13 0.780 -3.178 5.901 113 HD23 LEU 13 HD23 LEU 13 0.291 -3.594 4.260 114 H LEU 14 H LEU 14 0.151 -1.530 0.255 115 HA LEU 14 HA LEU 14 2.563 -3.137 0.285 116 HB2 LEU 14 HB2 LEU 14 0.204 -3.442 -0.852 117 HB3 LEU 14 HB3 LEU 14 0.933 -2.524 -2.169 118 HG LEU 14 HG LEU 14 2.900 -4.211 -1.974 119 HD11 LEU 14 HD11 LEU 14 0.682 -5.806 -0.651 120 HD12 LEU 14 HD12 LEU 14 2.103 -5.177 0.185 121 HD13 LEU 14 HD13 LEU 14 2.290 -6.399 -1.073 122 HD21 LEU 14 HD21 LEU 14 1.749 -5.775 -3.485 123 HD22 LEU 14 HD22 LEU 14 1.290 -4.115 -3.862 124 HD23 LEU 14 HD23 LEU 14 0.185 -5.152 -2.959 125 H VAL 15 H VAL 15 1.537 -0.303 -1.621 126 HA VAL 15 HA VAL 15 4.016 -0.017 -3.080 127 HB VAL 15 HB VAL 15 1.756 1.901 -2.400 128 HG11 VAL 15 HG11 VAL 15 2.639 3.063 -4.530 129 HG12 VAL 15 HG12 VAL 15 4.124 2.151 -4.261 130 HG13 VAL 15 HG13 VAL 15 3.562 3.299 -3.046 131 HG21 VAL 15 HG21 VAL 15 0.935 1.344 -4.630 132 HG22 VAL 15 HG22 VAL 15 1.163 -0.148 -3.718 133 HG23 VAL 15 HG23 VAL 15 2.349 0.333 -4.931 134 H PHE 16 H PHE 16 2.702 1.626 -0.175 135 HA PHE 16 HA PHE 16 4.969 3.328 0.302 136 HB2 PHE 16 HB2 PHE 16 2.568 3.379 1.244 137 HB3 PHE 16 HB3 PHE 16 3.113 2.149 2.383 138 HD1 PHE 16 HD1 PHE 16 3.751 5.616 1.179 139 HD2 PHE 16 HD2 PHE 16 4.452 2.714 4.269 140 HE1 PHE 16 HE1 PHE 16 4.749 7.380 2.609 141 HE2 PHE 16 HE2 PHE 16 5.450 4.477 5.698 142 HZ PHE 16 HZ PHE 16 5.599 6.810 4.869 143 H GLY 17 H GLY 17 4.176 0.010 1.332 144 HA2 GLY 17 HA2 GLY 17 6.347 -0.327 3.174 145 HA3 GLY 17 HA3 GLY 17 5.496 -1.639 2.355 146 H GLU 18 H GLU 18 6.050 -0.942 -0.330 147 HA GLU 18 HA GLU 18 8.655 -2.075 -0.707 148 HB2 GLU 18 HB2 GLU 18 6.593 -0.691 -2.400 149 HB3 GLU 18 HB3 GLU 18 8.164 -1.090 -3.099 150 HG2 GLU 18 HG2 GLU 18 7.297 -3.381 -1.659 151 HG3 GLU 18 HG3 GLU 18 5.927 -2.831 -2.622 152 H ASN 19 H ASN 19 7.551 1.245 -0.391 153 HA ASN 19 HA ASN 19 9.920 2.515 -1.464 154 HB2 ASN 19 HB2 ASN 19 7.480 3.239 0.070 155 HB3 ASN 19 HB3 ASN 19 8.844 4.345 0.227 156 HD21 ASN 19 HD21 ASN 19 6.398 3.136 -1.987 157 HD22 ASN 19 HD22 ASN 19 6.791 4.163 -3.279 158 H GLY 20 H GLY 20 9.116 1.089 1.620 159 HA2 GLY 20 HA2 GLY 20 11.568 2.251 2.854 160 HA3 GLY 20 HA3 GLY 20 10.241 1.508 3.747 161 H VAL 21 H VAL 21 10.083 -0.809 1.867 162 HA VAL 21 HA VAL 21 12.374 -2.333 3.007 163 HB VAL 21 HB VAL 21 9.739 -3.123 1.725 164 HG11 VAL 21 HG11 VAL 21 11.909 -4.832 2.984 165 HG12 VAL 21 HG12 VAL 21 11.403 -4.859 1.295 166 HG13 VAL 21 HG13 VAL 21 10.300 -5.412 2.555 167 HG21 VAL 21 HG21 VAL 21 10.072 -2.069 4.173 168 HG22 VAL 21 HG22 VAL 21 10.481 -3.743 4.551 169 HG23 VAL 21 HG23 VAL 21 8.904 -3.354 3.864 170 H PHE 22 H PHE 22 10.818 -1.649 -0.121 171 HA PHE 22 HA PHE 22 13.062 -3.045 -1.516 172 HB2 PHE 22 HB2 PHE 22 10.328 -3.144 -1.803 173 HB3 PHE 22 HB3 PHE 22 10.780 -1.995 -3.063 174 HD1 PHE 22 HD1 PHE 22 11.249 -5.442 -1.806 175 HD2 PHE 22 HD2 PHE 22 12.086 -2.673 -4.983 176 HE1 PHE 22 HE1 PHE 22 12.043 -7.313 -3.229 177 HE2 PHE 22 HE2 PHE 22 12.878 -4.544 -6.404 178 HZ PHE 22 HZ PHE 22 12.858 -6.863 -5.528 179 H PHE 23 H PHE 23 12.700 -0.033 -0.387 180 HA PHE 23 HA PHE 23 14.270 1.169 -2.585 181 HB2 PHE 23 HB2 PHE 23 11.413 1.550 -2.181 182 HB3 PHE 23 HB3 PHE 23 12.274 3.083 -2.058 183 HD1 PHE 23 HD1 PHE 23 14.117 3.495 -3.911 184 HD2 PHE 23 HD2 PHE 23 10.836 0.748 -4.301 185 HE1 PHE 23 HE1 PHE 23 14.351 3.566 -6.379 186 HE2 PHE 23 HE2 PHE 23 11.072 0.819 -6.769 187 HZ PHE 23 HZ PHE 23 12.828 2.228 -7.807 188 H TYR 24 H TYR 24 15.150 0.596 -0.007 189 HA TYR 24 HA TYR 24 15.610 3.327 1.084 190 HB2 TYR 24 HB2 TYR 24 13.633 1.724 2.074 191 HB3 TYR 24 HB3 TYR 24 14.987 1.229 3.087 192 HD1 TYR 24 HD1 TYR 24 13.038 4.181 1.916 193 HD2 TYR 24 HD2 TYR 24 15.819 2.646 4.807 194 HE1 TYR 24 HE1 TYR 24 12.788 6.252 3.256 195 HE2 TYR 24 HE2 TYR 24 15.568 4.717 6.147 196 HH TYR 24 HH TYR 24 14.683 7.401 5.233 197 H LYS 25 H LYS 25 17.385 1.552 -0.335 198 HA LYS 25 HA LYS 25 19.294 0.755 1.846 199 HB2 LYS 25 HB2 LYS 25 18.654 -0.437 -0.866 200 HB3 LYS 25 HB3 LYS 25 20.082 -0.901 0.059 201 HG2 LYS 25 HG2 LYS 25 18.796 -1.826 1.812 202 HG3 LYS 25 HG3 LYS 25 17.332 -0.984 1.301 203 HD2 LYS 25 HD2 LYS 25 17.373 -2.345 -0.817 204 HD3 LYS 25 HD3 LYS 25 18.708 -3.273 -0.133 205 HE2 LYS 25 HE2 LYS 25 16.438 -3.032 1.721 206 HE3 LYS 25 HE3 LYS 25 16.023 -3.874 0.216 207 HZ1 LYS 25 HZ1 LYS 25 17.997 -5.253 0.481 208 HZ2 LYS 25 HZ2 LYS 25 16.982 -5.406 1.835 209 HZ3 LYS 25 HZ3 LYS 25 18.388 -4.458 1.928 Start of MODEL 8 1 HA HIS 1 HA HIS 1 -22.732 0.970 4.049 2 HB2 HIS 1 HB2 HIS 1 -24.343 2.976 4.032 3 HB3 HIS 1 HB3 HIS 1 -22.948 3.957 3.581 4 HD1 HIS 1 HD1 HIS 1 -21.721 3.258 1.297 5 HD2 HIS 1 HD2 HIS 1 -25.456 1.515 1.927 6 HE1 HIS 1 HE1 HIS 1 -22.471 2.341 -0.941 7 H ALA 2 H ALA 2 -20.377 0.630 4.925 8 HA ALA 2 HA ALA 2 -18.524 1.930 3.037 9 HB1 ALA 2 HB1 ALA 2 -18.583 2.433 6.009 10 HB2 ALA 2 HB2 ALA 2 -18.422 3.601 4.698 11 HB3 ALA 2 HB3 ALA 2 -17.066 2.554 5.118 12 H TRP 3 H TRP 3 -17.363 0.189 2.310 13 HA TRP 3 HA TRP 3 -16.091 -1.640 4.261 14 HB2 TRP 3 HB2 TRP 3 -17.106 -3.631 3.157 15 HB3 TRP 3 HB3 TRP 3 -18.322 -2.596 3.901 16 HD1 TRP 3 HD1 TRP 3 -16.917 -3.599 0.481 17 HE1 TRP 3 HE1 TRP 3 -18.634 -2.963 -1.335 18 HE3 TRP 3 HE3 TRP 3 -20.300 -1.037 3.321 19 HZ2 TRP 3 HZ2 TRP 3 -21.113 -1.556 -1.553 20 HZ3 TRP 3 HZ3 TRP 3 -22.329 -0.061 2.285 21 HH2 TRP 3 HH2 TRP 3 -22.739 -0.319 -0.146 22 H TYR 4 H TYR 4 -15.254 0.320 2.069 23 HA TYR 4 HA TYR 4 -13.623 -1.617 0.459 24 HB2 TYR 4 HB2 TYR 4 -13.853 -0.084 -1.421 25 HB3 TYR 4 HB3 TYR 4 -15.455 -0.456 -0.793 26 HD1 TYR 4 HD1 TYR 4 -16.743 1.228 0.469 27 HD2 TYR 4 HD2 TYR 4 -12.872 2.133 -1.160 28 HE1 TYR 4 HE1 TYR 4 -17.168 3.648 0.800 29 HE2 TYR 4 HE2 TYR 4 -13.297 4.552 -0.827 30 HH TYR 4 HH TYR 4 -15.735 5.983 -0.660 31 H SER 5 H SER 5 -13.158 0.138 3.029 32 HA SER 5 HA SER 5 -11.052 2.003 2.228 33 HB2 SER 5 HB2 SER 5 -10.832 2.252 4.688 34 HB3 SER 5 HB3 SER 5 -12.515 2.357 4.176 35 HG SER 5 HG SER 5 -12.429 0.949 5.890 36 H HIS 6 H HIS 6 -11.190 -1.387 2.906 37 HA HIS 6 HA HIS 6 -8.430 -1.680 3.810 38 HB2 HIS 6 HB2 HIS 6 -10.435 -3.185 4.299 39 HB3 HIS 6 HB3 HIS 6 -10.296 -3.760 2.638 40 HD1 HIS 6 HD1 HIS 6 -9.358 -6.081 2.964 41 HD2 HIS 6 HD2 HIS 6 -7.235 -3.210 5.119 42 HE1 HIS 6 HE1 HIS 6 -7.331 -7.258 3.926 43 H TYR 7 H TYR 7 -10.126 -1.812 0.721 44 HA TYR 7 HA TYR 7 -8.052 -3.032 -0.842 45 HB2 TYR 7 HB2 TYR 7 -10.212 -1.023 -1.569 46 HB3 TYR 7 HB3 TYR 7 -9.307 -1.989 -2.732 47 HD1 TYR 7 HD1 TYR 7 -9.203 -4.641 -1.852 48 HD2 TYR 7 HD2 TYR 7 -12.361 -1.805 -1.188 49 HE1 TYR 7 HE1 TYR 7 -10.813 -6.503 -1.547 50 HE2 TYR 7 HE2 TYR 7 -13.970 -3.668 -0.883 51 HH TYR 7 HH TYR 7 -13.544 -6.645 -1.886 52 H VAL 8 H VAL 8 -8.858 0.399 -0.279 53 HA VAL 8 HA VAL 8 -6.636 1.466 -1.762 54 HB VAL 8 HB VAL 8 -8.724 2.680 -1.087 55 HG11 VAL 8 HG11 VAL 8 -9.007 1.893 1.178 56 HG12 VAL 8 HG12 VAL 8 -8.752 3.635 1.244 57 HG13 VAL 8 HG13 VAL 8 -7.435 2.537 1.652 58 HG21 VAL 8 HG21 VAL 8 -7.633 4.805 -0.629 59 HG22 VAL 8 HG22 VAL 8 -6.627 3.881 -1.744 60 HG23 VAL 8 HG23 VAL 8 -6.192 3.978 -0.037 61 H LEU 9 H LEU 9 -6.961 0.216 1.503 62 HA LEU 9 HA LEU 9 -4.454 1.304 2.518 63 HB2 LEU 9 HB2 LEU 9 -6.635 0.381 3.694 64 HB3 LEU 9 HB3 LEU 9 -5.814 -1.173 3.551 65 HG LEU 9 HG LEU 9 -3.775 0.035 4.592 66 HD11 LEU 9 HD11 LEU 9 -4.504 2.321 4.410 67 HD12 LEU 9 HD12 LEU 9 -4.520 1.915 6.125 68 HD13 LEU 9 HD13 LEU 9 -6.030 1.960 5.215 69 HD21 LEU 9 HD21 LEU 9 -6.330 -0.663 6.044 70 HD22 LEU 9 HD22 LEU 9 -4.879 -0.185 6.924 71 HD23 LEU 9 HD23 LEU 9 -4.856 -1.620 5.899 72 H LYS 10 H LYS 10 -5.492 -1.734 0.970 73 HA LYS 10 HA LYS 10 -3.054 -3.215 1.360 74 HB2 LYS 10 HB2 LYS 10 -5.279 -4.137 0.707 75 HB3 LYS 10 HB3 LYS 10 -5.127 -3.344 -0.861 76 HG2 LYS 10 HG2 LYS 10 -3.607 -4.865 -1.633 77 HG3 LYS 10 HG3 LYS 10 -2.826 -5.034 -0.061 78 HD2 LYS 10 HD2 LYS 10 -4.766 -6.377 0.731 79 HD3 LYS 10 HD3 LYS 10 -5.476 -6.261 -0.878 80 HE2 LYS 10 HE2 LYS 10 -4.349 -8.345 -0.941 81 HE3 LYS 10 HE3 LYS 10 -3.179 -7.242 -1.691 82 HZ1 LYS 10 HZ1 LYS 10 -2.015 -7.004 0.326 83 HZ2 LYS 10 HZ2 LYS 10 -2.302 -8.671 0.184 84 HZ3 LYS 10 HZ3 LYS 10 -3.248 -7.731 1.235 85 H PHE 11 H PHE 11 -4.187 -1.079 -1.273 86 HA PHE 11 HA PHE 11 -1.943 -1.438 -3.030 87 HB2 PHE 11 HB2 PHE 11 -4.229 -0.417 -3.492 88 HB3 PHE 11 HB3 PHE 11 -3.673 1.028 -2.648 89 HD1 PHE 11 HD1 PHE 11 -1.928 2.457 -3.596 90 HD2 PHE 11 HD2 PHE 11 -3.280 -1.062 -5.657 91 HE1 PHE 11 HE1 PHE 11 -0.804 3.237 -5.664 92 HE2 PHE 11 HE2 PHE 11 -2.156 -0.282 -7.725 93 HZ PHE 11 HZ PHE 11 -0.919 1.867 -7.730 94 H PHE 12 H PHE 12 -2.618 0.991 -0.481 95 HA PHE 12 HA PHE 12 -0.226 2.529 -0.797 96 HB2 PHE 12 HB2 PHE 12 -2.483 2.294 0.989 97 HB3 PHE 12 HB3 PHE 12 -1.009 2.484 1.938 98 HD1 PHE 12 HD1 PHE 12 0.556 4.412 1.415 99 HD2 PHE 12 HD2 PHE 12 -3.401 4.118 -0.234 100 HE1 PHE 12 HE1 PHE 12 0.611 6.826 0.851 101 HE2 PHE 12 HE2 PHE 12 -3.345 6.533 -0.797 102 HZ PHE 12 HZ PHE 12 -1.339 7.887 -0.254 103 H LEU 13 H LEU 13 -0.943 -0.331 1.238 104 HA LEU 13 HA LEU 13 1.675 -0.420 2.484 105 HB2 LEU 13 HB2 LEU 13 -0.616 -1.471 3.154 106 HB3 LEU 13 HB3 LEU 13 -0.168 -2.772 2.048 107 HG LEU 13 HG LEU 13 2.088 -2.791 3.351 108 HD11 LEU 13 HD11 LEU 13 1.903 -0.819 4.667 109 HD12 LEU 13 HD12 LEU 13 1.633 -2.145 5.797 110 HD13 LEU 13 HD13 LEU 13 0.264 -1.221 5.180 111 HD21 LEU 13 HD21 LEU 13 0.625 -4.673 3.504 112 HD22 LEU 13 HD22 LEU 13 -0.560 -3.766 4.446 113 HD23 LEU 13 HD23 LEU 13 0.983 -4.217 5.170 114 H LEU 14 H LEU 14 0.330 -1.692 -0.522 115 HA LEU 14 HA LEU 14 2.531 -3.525 -1.059 116 HB2 LEU 14 HB2 LEU 14 0.023 -3.423 -1.884 117 HB3 LEU 14 HB3 LEU 14 0.680 -2.366 -3.130 118 HG LEU 14 HG LEU 14 0.558 -4.799 -3.783 119 HD11 LEU 14 HD11 LEU 14 2.356 -2.954 -4.497 120 HD12 LEU 14 HD12 LEU 14 2.446 -4.614 -5.082 121 HD13 LEU 14 HD13 LEU 14 3.457 -4.100 -3.732 122 HD21 LEU 14 HD21 LEU 14 1.289 -5.511 -1.394 123 HD22 LEU 14 HD22 LEU 14 2.930 -5.196 -1.959 124 HD23 LEU 14 HD23 LEU 14 1.941 -6.416 -2.760 125 H VAL 15 H VAL 15 1.705 -0.206 -1.977 126 HA VAL 15 HA VAL 15 4.156 0.010 -3.650 127 HB VAL 15 HB VAL 15 1.802 1.848 -3.079 128 HG11 VAL 15 HG11 VAL 15 4.252 2.187 -4.817 129 HG12 VAL 15 HG12 VAL 15 3.601 3.303 -3.617 130 HG13 VAL 15 HG13 VAL 15 2.754 3.061 -5.144 131 HG21 VAL 15 HG21 VAL 15 0.812 0.956 -4.930 132 HG22 VAL 15 HG22 VAL 15 1.887 -0.410 -4.633 133 HG23 VAL 15 HG23 VAL 15 2.339 0.830 -5.802 134 H PHE 16 H PHE 16 2.613 2.006 -1.085 135 HA PHE 16 HA PHE 16 5.030 3.442 -0.438 136 HB2 PHE 16 HB2 PHE 16 2.439 3.860 -0.024 137 HB3 PHE 16 HB3 PHE 16 2.778 3.049 1.504 138 HD1 PHE 16 HD1 PHE 16 4.505 3.978 3.060 139 HD2 PHE 16 HD2 PHE 16 3.235 6.080 -0.465 140 HE1 PHE 16 HE1 PHE 16 5.486 6.072 3.955 141 HE2 PHE 16 HE2 PHE 16 4.215 8.174 0.431 142 HZ PHE 16 HZ PHE 16 5.341 8.169 2.641 143 H GLY 17 H GLY 17 3.540 0.477 0.871 144 HA2 GLY 17 HA2 GLY 17 5.171 0.267 3.222 145 HA3 GLY 17 HA3 GLY 17 4.357 -1.082 2.431 146 H GLU 18 H GLU 18 5.576 -1.083 -0.070 147 HA GLU 18 HA GLU 18 8.034 -2.456 0.402 148 HB2 GLU 18 HB2 GLU 18 6.549 -2.688 -1.586 149 HB3 GLU 18 HB3 GLU 18 7.005 -1.064 -2.096 150 HG2 GLU 18 HG2 GLU 18 8.358 -2.655 -3.332 151 HG3 GLU 18 HG3 GLU 18 9.400 -1.829 -2.174 152 H ASN 19 H ASN 19 7.367 0.906 -0.513 153 HA ASN 19 HA ASN 19 10.097 1.731 -0.899 154 HB2 ASN 19 HB2 ASN 19 7.435 3.015 -0.385 155 HB3 ASN 19 HB3 ASN 19 8.883 4.012 -0.259 156 HD21 ASN 19 HD21 ASN 19 6.861 2.180 -2.512 157 HD22 ASN 19 HD22 ASN 19 7.623 2.735 -3.923 158 H GLY 20 H GLY 20 7.995 1.541 1.935 159 HA2 GLY 20 HA2 GLY 20 9.869 2.896 3.712 160 HA3 GLY 20 HA3 GLY 20 8.411 2.036 4.207 161 H VAL 21 H VAL 21 9.087 -0.479 2.904 162 HA VAL 21 HA VAL 21 10.636 -1.719 4.984 163 HB VAL 21 HB VAL 21 9.641 -2.525 2.247 164 HG11 VAL 21 HG11 VAL 21 10.169 -4.914 3.241 165 HG12 VAL 21 HG12 VAL 21 11.398 -4.041 4.156 166 HG13 VAL 21 HG13 VAL 21 11.425 -4.017 2.392 167 HG21 VAL 21 HG21 VAL 21 8.885 -3.509 5.012 168 HG22 VAL 21 HG22 VAL 21 8.011 -3.776 3.504 169 HG23 VAL 21 HG23 VAL 21 8.074 -2.162 4.212 170 H PHE 22 H PHE 22 11.606 -0.112 2.059 171 HA PHE 22 HA PHE 22 13.720 0.205 1.059 172 HB2 PHE 22 HB2 PHE 22 13.927 0.631 3.702 173 HB3 PHE 22 HB3 PHE 22 15.011 -0.754 3.582 174 HD1 PHE 22 HD1 PHE 22 14.358 2.676 2.296 175 HD2 PHE 22 HD2 PHE 22 17.171 -0.561 2.572 176 HE1 PHE 22 HE1 PHE 22 16.142 4.148 1.401 177 HE2 PHE 22 HE2 PHE 22 18.953 0.913 1.676 178 HZ PHE 22 HZ PHE 22 18.439 3.267 1.091 179 H PHE 23 H PHE 23 12.439 -2.469 0.907 180 HA PHE 23 HA PHE 23 12.946 -4.636 0.145 181 HB2 PHE 23 HB2 PHE 23 15.204 -2.856 -0.634 182 HB3 PHE 23 HB3 PHE 23 15.493 -4.590 -0.773 183 HD1 PHE 23 HD1 PHE 23 14.110 -5.989 -2.257 184 HD2 PHE 23 HD2 PHE 23 13.550 -1.736 -2.019 185 HE1 PHE 23 HE1 PHE 23 12.763 -6.049 -4.338 186 HE2 PHE 23 HE2 PHE 23 12.202 -1.796 -4.099 187 HZ PHE 23 HZ PHE 23 11.807 -3.954 -5.257 188 H TYR 24 H TYR 24 13.342 -4.089 2.974 189 HA TYR 24 HA TYR 24 15.735 -5.739 3.666 190 HB2 TYR 24 HB2 TYR 24 14.875 -3.353 4.603 191 HB3 TYR 24 HB3 TYR 24 14.024 -4.418 5.719 192 HD1 TYR 24 HD1 TYR 24 17.362 -3.451 4.421 193 HD2 TYR 24 HD2 TYR 24 15.205 -5.685 7.389 194 HE1 TYR 24 HE1 TYR 24 19.464 -3.796 5.689 195 HE2 TYR 24 HE2 TYR 24 17.308 -6.030 8.657 196 HH TYR 24 HH TYR 24 19.789 -4.399 8.578 197 H LYS 25 H LYS 25 13.613 -7.167 2.521 198 HA LYS 25 HA LYS 25 11.845 -8.254 4.600 199 HB2 LYS 25 HB2 LYS 25 12.407 -8.735 1.678 200 HB3 LYS 25 HB3 LYS 25 11.402 -9.868 2.581 201 HG2 LYS 25 HG2 LYS 25 9.681 -8.471 2.119 202 HG3 LYS 25 HG3 LYS 25 10.382 -7.404 3.335 203 HD2 LYS 25 HD2 LYS 25 10.113 -6.065 1.372 204 HD3 LYS 25 HD3 LYS 25 11.832 -6.442 1.467 205 HE2 LYS 25 HE2 LYS 25 11.509 -7.057 -0.734 206 HE3 LYS 25 HE3 LYS 25 10.962 -8.573 0.005 207 HZ1 LYS 25 HZ1 LYS 25 9.245 -6.235 -0.662 208 HZ2 LYS 25 HZ2 LYS 25 8.712 -7.654 0.108 209 HZ3 LYS 25 HZ3 LYS 25 9.274 -7.712 -1.494 Start of MODEL 9 1 HA HIS 1 HA HIS 1 -21.801 2.713 -1.389 2 HB2 HIS 1 HB2 HIS 1 -20.378 1.979 -3.933 3 HB3 HIS 1 HB3 HIS 1 -21.982 1.311 -3.632 4 HD1 HIS 1 HD1 HIS 1 -20.277 4.349 -4.768 5 HD2 HIS 1 HD2 HIS 1 -24.012 3.419 -3.168 6 HE1 HIS 1 HE1 HIS 1 -21.772 6.340 -5.235 7 H ALA 2 H ALA 2 -19.551 0.177 -2.609 8 HA ALA 2 HA ALA 2 -20.961 -1.840 -0.935 9 HB1 ALA 2 HB1 ALA 2 -20.375 -2.081 -3.414 10 HB2 ALA 2 HB2 ALA 2 -19.866 -3.415 -2.379 11 HB3 ALA 2 HB3 ALA 2 -18.691 -2.211 -2.907 12 H TRP 3 H TRP 3 -19.205 -3.600 -0.106 13 HA TRP 3 HA TRP 3 -17.535 -2.178 1.855 14 HB2 TRP 3 HB2 TRP 3 -18.306 -5.037 1.259 15 HB3 TRP 3 HB3 TRP 3 -17.069 -4.672 2.461 16 HD1 TRP 3 HD1 TRP 3 -17.866 -2.928 4.467 17 HE1 TRP 3 HE1 TRP 3 -20.153 -2.776 5.650 18 HE3 TRP 3 HE3 TRP 3 -20.786 -5.370 1.061 19 HZ2 TRP 3 HZ2 TRP 3 -22.862 -3.585 5.209 20 HZ3 TRP 3 HZ3 TRP 3 -23.212 -5.665 1.467 21 HH2 TRP 3 HH2 TRP 3 -24.253 -4.776 3.535 22 H TYR 4 H TYR 4 -16.237 -1.292 -0.145 23 HA TYR 4 HA TYR 4 -13.943 -3.159 -0.656 24 HB2 TYR 4 HB2 TYR 4 -15.738 -2.532 -2.524 25 HB3 TYR 4 HB3 TYR 4 -14.768 -1.062 -2.638 26 HD1 TYR 4 HD1 TYR 4 -14.700 -4.756 -2.933 27 HD2 TYR 4 HD2 TYR 4 -12.535 -1.094 -3.543 28 HE1 TYR 4 HE1 TYR 4 -12.996 -5.983 -4.253 29 HE2 TYR 4 HE2 TYR 4 -10.833 -2.322 -4.862 30 HH TYR 4 HH TYR 4 -11.212 -5.076 -6.249 31 H SER 5 H SER 5 -13.847 -1.443 1.511 32 HA SER 5 HA SER 5 -12.346 0.976 0.617 33 HB2 SER 5 HB2 SER 5 -14.351 0.902 2.283 34 HB3 SER 5 HB3 SER 5 -13.169 0.286 3.434 35 HG SER 5 HG SER 5 -12.572 2.280 3.671 36 H HIS 6 H HIS 6 -11.894 -2.143 2.083 37 HA HIS 6 HA HIS 6 -9.350 -1.497 3.384 38 HB2 HIS 6 HB2 HIS 6 -11.144 -3.318 3.927 39 HB3 HIS 6 HB3 HIS 6 -10.355 -4.247 2.653 40 HD1 HIS 6 HD1 HIS 6 -9.942 -5.717 5.058 41 HD2 HIS 6 HD2 HIS 6 -7.588 -2.347 4.349 42 HE1 HIS 6 HE1 HIS 6 -7.895 -5.948 6.531 43 H TYR 7 H TYR 7 -10.383 -2.773 0.270 44 HA TYR 7 HA TYR 7 -7.906 -3.868 -0.634 45 HB2 TYR 7 HB2 TYR 7 -10.348 -2.672 -1.938 46 HB3 TYR 7 HB3 TYR 7 -8.998 -3.238 -2.919 47 HD1 TYR 7 HD1 TYR 7 -8.240 -5.640 -2.716 48 HD2 TYR 7 HD2 TYR 7 -11.872 -4.202 -0.926 49 HE1 TYR 7 HE1 TYR 7 -9.053 -7.972 -2.492 50 HE2 TYR 7 HE2 TYR 7 -12.684 -6.534 -0.700 51 HH TYR 7 HH TYR 7 -10.760 -9.175 -0.890 52 H VAL 8 H VAL 8 -9.286 -0.614 -1.184 53 HA VAL 8 HA VAL 8 -7.028 0.463 -2.562 54 HB VAL 8 HB VAL 8 -9.369 1.398 -2.417 55 HG11 VAL 8 HG11 VAL 8 -10.062 2.649 -0.500 56 HG12 VAL 8 HG12 VAL 8 -8.462 2.540 0.234 57 HG13 VAL 8 HG13 VAL 8 -9.477 1.104 0.111 58 HG21 VAL 8 HG21 VAL 8 -7.380 2.725 -3.207 59 HG22 VAL 8 HG22 VAL 8 -7.219 3.363 -1.570 60 HG23 VAL 8 HG23 VAL 8 -8.667 3.714 -2.516 61 H LEU 9 H LEU 9 -7.713 0.069 0.877 62 HA LEU 9 HA LEU 9 -5.553 1.742 1.855 63 HB2 LEU 9 HB2 LEU 9 -7.671 0.897 3.047 64 HB3 LEU 9 HB3 LEU 9 -6.831 -0.645 3.218 65 HG LEU 9 HG LEU 9 -5.238 1.708 4.025 66 HD11 LEU 9 HD11 LEU 9 -6.430 1.909 6.209 67 HD12 LEU 9 HD12 LEU 9 -7.709 0.874 5.575 68 HD13 LEU 9 HD13 LEU 9 -7.413 2.454 4.850 69 HD21 LEU 9 HD21 LEU 9 -4.815 -0.858 4.302 70 HD22 LEU 9 HD22 LEU 9 -5.913 -0.721 5.675 71 HD23 LEU 9 HD23 LEU 9 -4.419 0.214 5.644 72 H LYS 10 H LYS 10 -5.900 -1.740 1.121 73 HA LYS 10 HA LYS 10 -3.343 -2.604 2.090 74 HB2 LYS 10 HB2 LYS 10 -5.603 -3.599 0.589 75 HB3 LYS 10 HB3 LYS 10 -4.110 -4.122 -0.191 76 HG2 LYS 10 HG2 LYS 10 -4.220 -5.803 1.354 77 HG3 LYS 10 HG3 LYS 10 -3.463 -4.599 2.397 78 HD2 LYS 10 HD2 LYS 10 -5.499 -4.052 3.453 79 HD3 LYS 10 HD3 LYS 10 -6.465 -4.760 2.157 80 HE2 LYS 10 HE2 LYS 10 -4.715 -6.779 3.288 81 HE3 LYS 10 HE3 LYS 10 -5.695 -6.027 4.563 82 HZ1 LYS 10 HZ1 LYS 10 -6.788 -6.951 1.956 83 HZ2 LYS 10 HZ2 LYS 10 -7.671 -6.390 3.295 84 HZ3 LYS 10 HZ3 LYS 10 -6.843 -7.871 3.380 85 H PHE 11 H PHE 11 -4.380 -1.361 -1.097 86 HA PHE 11 HA PHE 11 -1.896 -1.737 -2.484 87 HB2 PHE 11 HB2 PHE 11 -3.896 -1.298 -3.715 88 HB3 PHE 11 HB3 PHE 11 -4.267 0.130 -2.752 89 HD1 PHE 11 HD1 PHE 11 -1.588 -1.222 -5.011 90 HD2 PHE 11 HD2 PHE 11 -3.699 2.237 -3.584 91 HE1 PHE 11 HE1 PHE 11 -0.359 0.198 -6.631 92 HE2 PHE 11 HE2 PHE 11 -2.471 3.656 -5.204 93 HZ PHE 11 HZ PHE 11 -0.800 2.638 -6.727 94 H PHE 12 H PHE 12 -3.190 1.030 -0.618 95 HA PHE 12 HA PHE 12 -1.055 2.870 -1.056 96 HB2 PHE 12 HB2 PHE 12 -3.245 2.409 0.906 97 HB3 PHE 12 HB3 PHE 12 -1.937 3.459 1.449 98 HD1 PHE 12 HD1 PHE 12 -3.881 2.898 -1.725 99 HD2 PHE 12 HD2 PHE 12 -2.263 5.728 1.074 100 HE1 PHE 12 HE1 PHE 12 -4.811 4.760 -3.070 101 HE2 PHE 12 HE2 PHE 12 -3.195 7.590 -0.272 102 HZ PHE 12 HZ PHE 12 -4.468 7.106 -2.343 103 H LEU 13 H LEU 13 -1.476 0.328 1.416 104 HA LEU 13 HA LEU 13 0.941 0.892 2.887 105 HB2 LEU 13 HB2 LEU 13 -1.206 -0.525 3.416 106 HB3 LEU 13 HB3 LEU 13 -0.330 -1.830 2.616 107 HG LEU 13 HG LEU 13 1.051 -0.218 4.743 108 HD11 LEU 13 HD11 LEU 13 0.148 -1.539 6.498 109 HD12 LEU 13 HD12 LEU 13 -0.600 -2.669 5.369 110 HD13 LEU 13 HD13 LEU 13 -1.250 -1.039 5.545 111 HD21 LEU 13 HD21 LEU 13 1.290 -2.918 3.452 112 HD22 LEU 13 HD22 LEU 13 1.904 -2.704 5.092 113 HD23 LEU 13 HD23 LEU 13 2.545 -1.721 3.775 114 H LEU 14 H LEU 14 0.195 -1.225 0.120 115 HA LEU 14 HA LEU 14 2.714 -2.594 -0.005 116 HB2 LEU 14 HB2 LEU 14 0.264 -2.667 -1.273 117 HB3 LEU 14 HB3 LEU 14 1.310 -2.041 -2.543 118 HG LEU 14 HG LEU 14 1.244 -4.488 -2.646 119 HD11 LEU 14 HD11 LEU 14 3.377 -3.284 -3.167 120 HD12 LEU 14 HD12 LEU 14 3.633 -4.931 -2.591 121 HD13 LEU 14 HD13 LEU 14 3.899 -3.566 -1.506 122 HD21 LEU 14 HD21 LEU 14 2.461 -4.491 0.129 123 HD22 LEU 14 HD22 LEU 14 1.914 -5.881 -0.808 124 HD23 LEU 14 HD23 LEU 14 0.739 -4.735 -0.163 125 H VAL 15 H VAL 15 1.610 0.506 -1.291 126 HA VAL 15 HA VAL 15 3.888 0.990 -3.015 127 HB VAL 15 HB VAL 15 1.848 2.813 -1.689 128 HG11 VAL 15 HG11 VAL 15 3.793 4.122 -2.360 129 HG12 VAL 15 HG12 VAL 15 2.483 4.416 -3.504 130 HG13 VAL 15 HG13 VAL 15 3.813 3.342 -3.941 131 HG21 VAL 15 HG21 VAL 15 1.747 2.311 -4.592 132 HG22 VAL 15 HG22 VAL 15 0.444 2.300 -3.403 133 HG23 VAL 15 HG23 VAL 15 1.461 0.874 -3.609 134 H PHE 16 H PHE 16 3.031 2.240 0.248 135 HA PHE 16 HA PHE 16 5.582 3.582 0.623 136 HB2 PHE 16 HB2 PHE 16 3.188 3.888 1.693 137 HB3 PHE 16 HB3 PHE 16 3.770 2.694 2.852 138 HD1 PHE 16 HD1 PHE 16 5.677 3.184 4.325 139 HD2 PHE 16 HD2 PHE 16 4.176 6.113 1.566 140 HE1 PHE 16 HE1 PHE 16 6.949 4.951 5.509 141 HE2 PHE 16 HE2 PHE 16 5.448 7.881 2.751 142 HZ PHE 16 HZ PHE 16 6.834 7.300 4.724 143 H GLY 17 H GLY 17 4.257 0.425 1.631 144 HA2 GLY 17 HA2 GLY 17 6.408 -0.333 3.361 145 HA3 GLY 17 HA3 GLY 17 5.304 -1.453 2.566 146 H GLU 18 H GLU 18 5.863 -0.982 -0.126 147 HA GLU 18 HA GLU 18 8.219 -2.530 -0.567 148 HB2 GLU 18 HB2 GLU 18 6.198 -2.154 -2.076 149 HB3 GLU 18 HB3 GLU 18 6.909 -0.596 -2.499 150 HG2 GLU 18 HG2 GLU 18 8.966 -1.768 -3.263 151 HG3 GLU 18 HG3 GLU 18 8.197 -3.315 -2.901 152 H ASN 19 H ASN 19 7.696 0.976 -0.588 153 HA ASN 19 HA ASN 19 10.266 1.754 -1.590 154 HB2 ASN 19 HB2 ASN 19 8.004 2.963 -0.070 155 HB3 ASN 19 HB3 ASN 19 9.540 3.829 -0.030 156 HD21 ASN 19 HD21 ASN 19 6.934 2.729 -2.176 157 HD22 ASN 19 HD22 ASN 19 7.409 3.663 -3.511 158 H GLY 20 H GLY 20 9.141 0.882 1.638 159 HA2 GLY 20 HA2 GLY 20 11.671 1.670 2.911 160 HA3 GLY 20 HA3 GLY 20 10.304 0.896 3.714 161 H VAL 21 H VAL 21 10.001 -1.346 1.980 162 HA VAL 21 HA VAL 21 11.951 -3.157 3.073 163 HB VAL 21 HB VAL 21 9.919 -3.338 0.830 164 HG11 VAL 21 HG11 VAL 21 10.189 -5.847 1.191 165 HG12 VAL 21 HG12 VAL 21 11.674 -5.476 2.068 166 HG13 VAL 21 HG13 VAL 21 11.529 -5.056 0.361 167 HG21 VAL 21 HG21 VAL 21 9.804 -4.693 3.519 168 HG22 VAL 21 HG22 VAL 21 8.477 -4.257 2.442 169 HG23 VAL 21 HG23 VAL 21 9.318 -3.006 3.357 170 H PHE 22 H PHE 22 11.789 -1.390 0.025 171 HA PHE 22 HA PHE 22 13.978 -2.886 -1.225 172 HB2 PHE 22 HB2 PHE 22 12.188 -0.579 -1.852 173 HB3 PHE 22 HB3 PHE 22 13.697 -0.701 -2.754 174 HD1 PHE 22 HD1 PHE 22 10.967 -3.001 -1.558 175 HD2 PHE 22 HD2 PHE 22 13.614 -1.882 -4.752 176 HE1 PHE 22 HE1 PHE 22 9.972 -4.757 -2.998 177 HE2 PHE 22 HE2 PHE 22 12.617 -3.638 -6.190 178 HZ PHE 22 HZ PHE 22 10.797 -5.075 -5.314 179 H PHE 23 H PHE 23 14.024 -0.734 1.297 180 HA PHE 23 HA PHE 23 16.619 0.503 0.441 181 HB2 PHE 23 HB2 PHE 23 14.238 1.376 2.008 182 HB3 PHE 23 HB3 PHE 23 15.802 1.951 2.584 183 HD1 PHE 23 HD1 PHE 23 13.947 1.522 -0.659 184 HD2 PHE 23 HD2 PHE 23 16.631 3.928 1.677 185 HE1 PHE 23 HE1 PHE 23 13.988 3.223 -2.461 186 HE2 PHE 23 HE2 PHE 23 16.672 5.629 -0.127 187 HZ PHE 23 HZ PHE 23 15.352 5.277 -2.195 188 H TYR 24 H TYR 24 16.297 -2.228 1.563 189 HA TYR 24 HA TYR 24 18.168 -1.956 3.844 190 HB2 TYR 24 HB2 TYR 24 15.477 -2.062 4.310 191 HB3 TYR 24 HB3 TYR 24 15.881 -3.777 4.340 192 HD1 TYR 24 HD1 TYR 24 18.027 -4.419 5.729 193 HD2 TYR 24 HD2 TYR 24 15.800 -0.781 6.241 194 HE1 TYR 24 HE1 TYR 24 18.980 -4.155 8.002 195 HE2 TYR 24 HE2 TYR 24 16.754 -0.519 8.515 196 HH TYR 24 HH TYR 24 17.888 -2.635 10.288 197 H LYS 25 H LYS 25 19.004 -2.919 1.499 198 HA LYS 25 HA LYS 25 19.106 -5.889 1.893 199 HB2 LYS 25 HB2 LYS 25 17.557 -4.914 0.027 200 HB3 LYS 25 HB3 LYS 25 19.066 -4.583 -0.825 201 HG2 LYS 25 HG2 LYS 25 19.694 -7.003 -0.492 202 HG3 LYS 25 HG3 LYS 25 18.071 -7.278 0.140 203 HD2 LYS 25 HD2 LYS 25 17.527 -7.699 -2.026 204 HD3 LYS 25 HD3 LYS 25 17.525 -5.942 -2.193 205 HE2 LYS 25 HE2 LYS 25 19.770 -5.925 -3.049 206 HE3 LYS 25 HE3 LYS 25 20.021 -7.623 -2.599 207 HZ1 LYS 25 HZ1 LYS 25 17.998 -6.630 -4.542 208 HZ2 LYS 25 HZ2 LYS 25 18.224 -8.254 -4.093 209 HZ3 LYS 25 HZ3 LYS 25 19.440 -7.427 -4.945 Start of MODEL 10 1 HA HIS 1 HA HIS 1 -19.360 -4.441 -3.121 2 HB2 HIS 1 HB2 HIS 1 -21.465 -6.085 -1.745 3 HB3 HIS 1 HB3 HIS 1 -21.860 -4.435 -2.224 4 HD1 HIS 1 HD1 HIS 1 -21.472 -7.836 -3.559 5 HD2 HIS 1 HD2 HIS 1 -21.497 -3.969 -5.117 6 HE1 HIS 1 HE1 HIS 1 -21.792 -8.073 -6.059 7 H ALA 2 H ALA 2 -20.599 -5.061 0.204 8 HA ALA 2 HA ALA 2 -20.310 -2.247 0.948 9 HB1 ALA 2 HB1 ALA 2 -21.137 -3.103 3.121 10 HB2 ALA 2 HB2 ALA 2 -20.886 -4.757 2.561 11 HB3 ALA 2 HB3 ALA 2 -22.099 -3.738 1.785 12 H TRP 3 H TRP 3 -18.930 -1.530 2.761 13 HA TRP 3 HA TRP 3 -16.813 -1.288 3.772 14 HB2 TRP 3 HB2 TRP 3 -17.994 -3.597 4.589 15 HB3 TRP 3 HB3 TRP 3 -16.499 -4.242 3.914 16 HD1 TRP 3 HD1 TRP 3 -14.263 -2.538 4.725 17 HE1 TRP 3 HE1 TRP 3 -13.704 -1.905 7.159 18 HE3 TRP 3 HE3 TRP 3 -18.802 -3.364 6.917 19 HZ2 TRP 3 HZ2 TRP 3 -15.008 -1.770 9.701 20 HZ3 TRP 3 HZ3 TRP 3 -19.115 -2.976 9.344 21 HH2 TRP 3 HH2 TRP 3 -17.225 -2.180 10.738 22 H TYR 4 H TYR 4 -16.726 -1.247 0.938 23 HA TYR 4 HA TYR 4 -14.519 -3.010 0.068 24 HB2 TYR 4 HB2 TYR 4 -14.979 -2.027 -2.115 25 HB3 TYR 4 HB3 TYR 4 -16.510 -2.433 -1.346 26 HD1 TYR 4 HD1 TYR 4 -14.192 0.355 -2.167 27 HD2 TYR 4 HD2 TYR 4 -18.094 -0.731 -0.732 28 HE1 TYR 4 HE1 TYR 4 -14.932 2.710 -2.392 29 HE2 TYR 4 HE2 TYR 4 -18.831 1.623 -0.956 30 HH TYR 4 HH TYR 4 -17.294 4.041 -0.948 31 H SER 5 H SER 5 -14.439 -0.417 2.003 32 HA SER 5 HA SER 5 -12.393 1.202 0.634 33 HB2 SER 5 HB2 SER 5 -14.297 1.941 2.224 34 HB3 SER 5 HB3 SER 5 -13.269 1.341 3.522 35 HG SER 5 HG SER 5 -12.047 3.033 3.287 36 H HIS 6 H HIS 6 -11.893 -1.744 1.492 37 HA HIS 6 HA HIS 6 -9.605 -1.291 3.360 38 HB2 HIS 6 HB2 HIS 6 -11.489 -3.518 2.717 39 HB3 HIS 6 HB3 HIS 6 -9.862 -3.963 3.230 40 HD1 HIS 6 HD1 HIS 6 -10.898 -4.870 5.493 41 HD2 HIS 6 HD2 HIS 6 -11.342 -0.767 4.901 42 HE1 HIS 6 HE1 HIS 6 -11.563 -3.890 7.731 43 H TYR 7 H TYR 7 -10.459 -2.574 0.176 44 HA TYR 7 HA TYR 7 -7.924 -3.731 -0.495 45 HB2 TYR 7 HB2 TYR 7 -10.116 -2.465 -2.176 46 HB3 TYR 7 HB3 TYR 7 -8.795 -3.426 -2.842 47 HD1 TYR 7 HD1 TYR 7 -8.495 -5.832 -1.973 48 HD2 TYR 7 HD2 TYR 7 -12.054 -3.512 -1.325 49 HE1 TYR 7 HE1 TYR 7 -9.760 -7.908 -1.485 50 HE2 TYR 7 HE2 TYR 7 -13.317 -5.589 -0.837 51 HH TYR 7 HH TYR 7 -12.352 -8.148 0.098 52 H VAL 8 H VAL 8 -9.247 -0.469 -1.000 53 HA VAL 8 HA VAL 8 -7.015 0.642 -2.393 54 HB VAL 8 HB VAL 8 -9.305 1.621 -2.190 55 HG11 VAL 8 HG11 VAL 8 -8.465 2.487 0.587 56 HG12 VAL 8 HG12 VAL 8 -9.487 1.079 0.294 57 HG13 VAL 8 HG13 VAL 8 -10.042 2.685 -0.176 58 HG21 VAL 8 HG21 VAL 8 -8.589 3.948 -1.978 59 HG22 VAL 8 HG22 VAL 8 -7.348 3.028 -2.827 60 HG23 VAL 8 HG23 VAL 8 -7.126 3.448 -1.130 61 H LEU 9 H LEU 9 -7.632 0.122 1.045 62 HA LEU 9 HA LEU 9 -5.423 1.709 2.048 63 HB2 LEU 9 HB2 LEU 9 -7.566 0.766 3.202 64 HB3 LEU 9 HB3 LEU 9 -6.632 -0.719 3.382 65 HG LEU 9 HG LEU 9 -5.354 1.860 4.210 66 HD11 LEU 9 HD11 LEU 9 -7.725 1.776 5.155 67 HD12 LEU 9 HD12 LEU 9 -6.428 1.875 6.345 68 HD13 LEU 9 HD13 LEU 9 -7.223 0.332 6.034 69 HD21 LEU 9 HD21 LEU 9 -5.181 -1.062 4.843 70 HD22 LEU 9 HD22 LEU 9 -4.709 0.087 6.095 71 HD23 LEU 9 HD23 LEU 9 -3.886 0.095 4.535 72 H LYS 10 H LYS 10 -5.828 -1.744 1.185 73 HA LYS 10 HA LYS 10 -3.226 -2.626 2.049 74 HB2 LYS 10 HB2 LYS 10 -5.342 -3.957 1.423 75 HB3 LYS 10 HB3 LYS 10 -4.850 -3.731 -0.257 76 HG2 LYS 10 HG2 LYS 10 -2.536 -4.641 0.563 77 HG3 LYS 10 HG3 LYS 10 -3.461 -5.274 1.924 78 HD2 LYS 10 HD2 LYS 10 -4.596 -5.763 -0.782 79 HD3 LYS 10 HD3 LYS 10 -3.126 -6.648 -0.375 80 HE2 LYS 10 HE2 LYS 10 -4.395 -8.108 0.803 81 HE3 LYS 10 HE3 LYS 10 -4.811 -6.789 1.914 82 HZ1 LYS 10 HZ1 LYS 10 -6.432 -6.086 0.077 83 HZ2 LYS 10 HZ2 LYS 10 -6.857 -7.421 1.035 84 HZ3 LYS 10 HZ3 LYS 10 -6.236 -7.658 -0.527 85 H PHE 11 H PHE 11 -4.430 -1.262 -1.013 86 HA PHE 11 HA PHE 11 -2.063 -1.698 -2.586 87 HB2 PHE 11 HB2 PHE 11 -4.206 -1.150 -3.583 88 HB3 PHE 11 HB3 PHE 11 -4.305 0.350 -2.662 89 HD1 PHE 11 HD1 PHE 11 -2.139 -1.412 -5.163 90 HD2 PHE 11 HD2 PHE 11 -3.506 2.347 -3.594 91 HE1 PHE 11 HE1 PHE 11 -0.929 -0.218 -6.968 92 HE2 PHE 11 HE2 PHE 11 -2.295 3.540 -5.400 93 HZ PHE 11 HZ PHE 11 -1.007 2.258 -7.087 94 H PHE 12 H PHE 12 -3.146 1.081 -0.600 95 HA PHE 12 HA PHE 12 -0.920 2.806 -1.126 96 HB2 PHE 12 HB2 PHE 12 -3.213 2.591 0.676 97 HB3 PHE 12 HB3 PHE 12 -1.816 3.301 1.485 98 HD1 PHE 12 HD1 PHE 12 -0.849 5.413 0.727 99 HD2 PHE 12 HD2 PHE 12 -4.249 3.688 -1.254 100 HE1 PHE 12 HE1 PHE 12 -1.255 7.561 -0.445 101 HE2 PHE 12 HE2 PHE 12 -4.654 5.836 -2.426 102 HZ PHE 12 HZ PHE 12 -3.158 7.772 -2.021 103 H LEU 13 H LEU 13 -1.490 0.408 1.472 104 HA LEU 13 HA LEU 13 1.005 0.815 2.853 105 HB2 LEU 13 HB2 LEU 13 -1.245 -0.429 3.456 106 HB3 LEU 13 HB3 LEU 13 -0.445 -1.820 2.724 107 HG LEU 13 HG LEU 13 1.570 -1.074 4.272 108 HD11 LEU 13 HD11 LEU 13 0.589 -0.241 6.472 109 HD12 LEU 13 HD12 LEU 13 -0.878 0.146 5.574 110 HD13 LEU 13 HD13 LEU 13 0.641 0.946 5.170 111 HD21 LEU 13 HD21 LEU 13 0.382 -3.232 4.410 112 HD22 LEU 13 HD22 LEU 13 -0.918 -2.465 5.320 113 HD23 LEU 13 HD23 LEU 13 0.693 -2.593 6.023 114 H LEU 14 H LEU 14 0.025 -1.316 0.172 115 HA LEU 14 HA LEU 14 2.358 -2.947 0.008 116 HB2 LEU 14 HB2 LEU 14 0.211 -3.328 -1.171 117 HB3 LEU 14 HB3 LEU 14 0.505 -1.897 -2.157 118 HG LEU 14 HG LEU 14 2.700 -3.032 -2.863 119 HD11 LEU 14 HD11 LEU 14 2.652 -5.520 -2.688 120 HD12 LEU 14 HD12 LEU 14 1.235 -5.393 -1.646 121 HD13 LEU 14 HD13 LEU 14 2.782 -4.736 -1.114 122 HD21 LEU 14 HD21 LEU 14 0.859 -2.869 -4.417 123 HD22 LEU 14 HD22 LEU 14 -0.009 -4.174 -3.607 124 HD23 LEU 14 HD23 LEU 14 1.472 -4.520 -4.501 125 H VAL 15 H VAL 15 1.592 0.179 -1.504 126 HA VAL 15 HA VAL 15 4.087 0.452 -2.948 127 HB VAL 15 HB VAL 15 1.920 2.362 -2.010 128 HG11 VAL 15 HG11 VAL 15 4.424 2.876 -3.614 129 HG12 VAL 15 HG12 VAL 15 3.776 3.802 -2.261 130 HG13 VAL 15 HG13 VAL 15 2.983 3.868 -3.834 131 HG21 VAL 15 HG21 VAL 15 1.064 2.175 -4.202 132 HG22 VAL 15 HG22 VAL 15 1.557 0.527 -3.814 133 HG23 VAL 15 HG23 VAL 15 2.580 1.535 -4.835 134 H PHE 16 H PHE 16 2.897 1.723 0.177 135 HA PHE 16 HA PHE 16 5.219 3.225 0.904 136 HB2 PHE 16 HB2 PHE 16 2.797 3.090 1.871 137 HB3 PHE 16 HB3 PHE 16 3.432 1.764 2.846 138 HD1 PHE 16 HD1 PHE 16 3.596 5.382 2.177 139 HD2 PHE 16 HD2 PHE 16 5.132 2.155 4.560 140 HE1 PHE 16 HE1 PHE 16 4.600 7.019 3.747 141 HE2 PHE 16 HE2 PHE 16 6.135 3.792 6.129 142 HZ PHE 16 HZ PHE 16 5.869 6.224 5.723 143 H GLY 17 H GLY 17 4.382 -0.203 1.336 144 HA2 GLY 17 HA2 GLY 17 6.581 -0.846 3.082 145 HA3 GLY 17 HA3 GLY 17 5.636 -2.008 2.150 146 H GLU 18 H GLU 18 6.232 -0.741 -0.454 147 HA GLU 18 HA GLU 18 8.612 -2.164 -1.132 148 HB2 GLU 18 HB2 GLU 18 6.827 -0.123 -2.406 149 HB3 GLU 18 HB3 GLU 18 8.360 -0.499 -3.194 150 HG2 GLU 18 HG2 GLU 18 7.780 -2.882 -3.244 151 HG3 GLU 18 HG3 GLU 18 6.271 -2.549 -2.394 152 H ASN 19 H ASN 19 8.249 1.402 -1.295 153 HA ASN 19 HA ASN 19 11.066 1.904 -1.319 154 HB2 ASN 19 HB2 ASN 19 10.370 4.237 -0.765 155 HB3 ASN 19 HB3 ASN 19 9.407 3.541 -2.064 156 HD21 ASN 19 HD21 ASN 19 7.172 3.666 -1.790 157 HD22 ASN 19 HD22 ASN 19 6.391 3.957 -0.313 158 H GLY 20 H GLY 20 8.851 1.237 1.295 159 HA2 GLY 20 HA2 GLY 20 10.471 2.261 3.454 160 HA3 GLY 20 HA3 GLY 20 9.181 1.066 3.615 161 H VAL 21 H VAL 21 10.167 -0.935 1.868 162 HA VAL 21 HA VAL 21 12.120 -2.243 3.576 163 HB VAL 21 HB VAL 21 10.852 -2.801 0.886 164 HG11 VAL 21 HG11 VAL 21 11.853 -5.163 1.286 165 HG12 VAL 21 HG12 VAL 21 13.002 -4.341 2.342 166 HG13 VAL 21 HG13 VAL 21 12.919 -3.919 0.632 167 HG21 VAL 21 HG21 VAL 21 10.625 -4.559 3.293 168 HG22 VAL 21 HG22 VAL 21 9.419 -4.180 2.062 169 HG23 VAL 21 HG23 VAL 21 9.780 -3.011 3.330 170 H PHE 22 H PHE 22 12.302 -0.274 0.686 171 HA PHE 22 HA PHE 22 14.919 -1.001 -0.226 172 HB2 PHE 22 HB2 PHE 22 13.007 0.391 -1.302 173 HB3 PHE 22 HB3 PHE 22 13.692 1.750 -0.413 174 HD1 PHE 22 HD1 PHE 22 15.933 2.604 -0.933 175 HD2 PHE 22 HD2 PHE 22 14.223 -0.664 -3.135 176 HE1 PHE 22 HE1 PHE 22 17.671 2.873 -2.683 177 HE2 PHE 22 HE2 PHE 22 15.961 -0.395 -4.885 178 HZ PHE 22 HZ PHE 22 17.685 1.374 -4.659 179 H PHE 23 H PHE 23 13.807 1.229 2.277 180 HA PHE 23 HA PHE 23 16.652 1.990 2.845 181 HB2 PHE 23 HB2 PHE 23 14.468 3.549 2.344 182 HB3 PHE 23 HB3 PHE 23 14.396 3.448 4.104 183 HD1 PHE 23 HD1 PHE 23 16.566 4.384 1.231 184 HD2 PHE 23 HD2 PHE 23 15.989 4.577 5.484 185 HE1 PHE 23 HE1 PHE 23 18.400 6.044 1.405 186 HE2 PHE 23 HE2 PHE 23 17.823 6.238 5.656 187 HZ PHE 23 HZ PHE 23 19.028 6.971 3.617 188 H TYR 24 H TYR 24 14.775 -0.397 3.812 189 HA TYR 24 HA TYR 24 15.764 -0.328 6.604 190 HB2 TYR 24 HB2 TYR 24 13.326 0.699 6.101 191 HB3 TYR 24 HB3 TYR 24 12.879 -0.999 6.239 192 HD1 TYR 24 HD1 TYR 24 13.565 -2.282 8.325 193 HD2 TYR 24 HD2 TYR 24 13.857 1.992 8.020 194 HE1 TYR 24 HE1 TYR 24 13.708 -2.116 10.795 195 HE2 TYR 24 HE2 TYR 24 14.000 2.159 10.491 196 HH TYR 24 HH TYR 24 14.868 0.054 12.424 197 H LYS 25 H LYS 25 16.949 -2.038 5.134 198 HA LYS 25 HA LYS 25 15.507 -4.655 5.416 199 HB2 LYS 25 HB2 LYS 25 15.716 -3.657 3.064 200 HB3 LYS 25 HB3 LYS 25 17.453 -3.920 3.214 201 HG2 LYS 25 HG2 LYS 25 16.608 -5.862 2.118 202 HG3 LYS 25 HG3 LYS 25 16.892 -6.350 3.789 203 HD2 LYS 25 HD2 LYS 25 14.314 -5.392 3.909 204 HD3 LYS 25 HD3 LYS 25 14.355 -6.126 2.307 205 HE2 LYS 25 HE2 LYS 25 15.458 -7.626 4.687 206 HE3 LYS 25 HE3 LYS 25 13.721 -7.654 4.324 207 HZ1 LYS 25 HZ1 LYS 25 14.781 -9.435 3.131 208 HZ2 LYS 25 HZ2 LYS 25 15.934 -8.375 2.472 209 HZ3 LYS 25 HZ3 LYS 25 14.302 -8.254 2.012 Start of MODEL 11 1 HA HIS 1 HA HIS 1 -16.276 1.503 6.683 2 HB2 HIS 1 HB2 HIS 1 -14.217 2.994 6.651 3 HB3 HIS 1 HB3 HIS 1 -14.057 2.614 4.936 4 HD1 HIS 1 HD1 HIS 1 -15.590 3.827 3.315 5 HD2 HIS 1 HD2 HIS 1 -16.663 4.457 7.295 6 HE1 HIS 1 HE1 HIS 1 -17.380 5.617 3.301 7 H ALA 2 H ALA 2 -17.873 1.123 5.182 8 HA ALA 2 HA ALA 2 -18.954 0.231 3.286 9 HB1 ALA 2 HB1 ALA 2 -16.437 1.025 1.818 10 HB2 ALA 2 HB2 ALA 2 -17.509 2.244 2.506 11 HB3 ALA 2 HB3 ALA 2 -18.108 1.139 1.269 12 H TRP 3 H TRP 3 -17.645 -0.962 0.959 13 HA TRP 3 HA TRP 3 -16.529 -3.464 2.196 14 HB2 TRP 3 HB2 TRP 3 -18.521 -2.947 -0.018 15 HB3 TRP 3 HB3 TRP 3 -17.671 -4.488 0.094 16 HD1 TRP 3 HD1 TRP 3 -18.228 -6.070 2.137 17 HE1 TRP 3 HE1 TRP 3 -20.192 -6.124 3.808 18 HE3 TRP 3 HE3 TRP 3 -20.216 -1.439 1.311 19 HZ2 TRP 3 HZ2 TRP 3 -22.322 -4.426 4.680 20 HZ3 TRP 3 HZ3 TRP 3 -22.210 -0.683 2.575 21 HH2 TRP 3 HH2 TRP 3 -23.264 -2.170 4.256 22 H TYR 4 H TYR 4 -16.674 -1.586 -0.853 23 HA TYR 4 HA TYR 4 -14.277 -2.852 -1.940 24 HB2 TYR 4 HB2 TYR 4 -14.729 -1.436 -3.834 25 HB3 TYR 4 HB3 TYR 4 -16.293 -1.951 -3.206 26 HD1 TYR 4 HD1 TYR 4 -13.888 0.867 -3.393 27 HD2 TYR 4 HD2 TYR 4 -17.819 -0.379 -2.184 28 HE1 TYR 4 HE1 TYR 4 -14.545 3.237 -3.079 29 HE2 TYR 4 HE2 TYR 4 -18.472 1.991 -1.869 30 HH TYR 4 HH TYR 4 -17.326 4.391 -3.089 31 H SER 5 H SER 5 -14.688 -0.418 0.387 32 HA SER 5 HA SER 5 -12.385 1.232 -0.425 33 HB2 SER 5 HB2 SER 5 -14.419 1.174 1.783 34 HB3 SER 5 HB3 SER 5 -12.974 2.161 1.974 35 HG SER 5 HG SER 5 -14.914 2.271 -0.098 36 H HIS 6 H HIS 6 -12.053 -1.746 0.322 37 HA HIS 6 HA HIS 6 -10.210 -1.437 2.656 38 HB2 HIS 6 HB2 HIS 6 -11.720 -3.728 1.396 39 HB3 HIS 6 HB3 HIS 6 -10.389 -4.026 2.513 40 HD1 HIS 6 HD1 HIS 6 -13.943 -3.057 2.393 41 HD2 HIS 6 HD2 HIS 6 -10.850 -2.898 5.185 42 HE1 HIS 6 HE1 HIS 6 -15.026 -2.615 4.641 43 H TYR 7 H TYR 7 -10.399 -2.553 -0.698 44 HA TYR 7 HA TYR 7 -7.761 -3.636 -0.933 45 HB2 TYR 7 HB2 TYR 7 -9.694 -2.340 -2.876 46 HB3 TYR 7 HB3 TYR 7 -8.183 -3.081 -3.400 47 HD1 TYR 7 HD1 TYR 7 -7.773 -5.530 -2.940 48 HD2 TYR 7 HD2 TYR 7 -11.594 -3.669 -2.299 49 HE1 TYR 7 HE1 TYR 7 -8.857 -7.760 -2.906 50 HE2 TYR 7 HE2 TYR 7 -12.674 -5.899 -2.264 51 HH TYR 7 HH TYR 7 -11.613 -8.474 -3.472 52 H VAL 8 H VAL 8 -9.021 -0.346 -1.340 53 HA VAL 8 HA VAL 8 -6.593 0.865 -2.280 54 HB VAL 8 HB VAL 8 -8.909 1.815 -2.403 55 HG11 VAL 8 HG11 VAL 8 -9.970 2.762 -0.474 56 HG12 VAL 8 HG12 VAL 8 -8.536 2.507 0.521 57 HG13 VAL 8 HG13 VAL 8 -9.490 1.127 -0.021 58 HG21 VAL 8 HG21 VAL 8 -6.926 3.560 -0.911 59 HG22 VAL 8 HG22 VAL 8 -8.262 4.132 -1.909 60 HG23 VAL 8 HG23 VAL 8 -6.913 3.270 -2.650 61 H LEU 9 H LEU 9 -7.792 0.077 0.942 62 HA LEU 9 HA LEU 9 -5.817 1.599 2.431 63 HB2 LEU 9 HB2 LEU 9 -8.082 0.718 3.199 64 HB3 LEU 9 HB3 LEU 9 -7.353 -0.886 3.255 65 HG LEU 9 HG LEU 9 -5.877 1.294 4.646 66 HD11 LEU 9 HD11 LEU 9 -8.602 0.304 5.436 67 HD12 LEU 9 HD12 LEU 9 -7.931 1.931 5.552 68 HD13 LEU 9 HD13 LEU 9 -7.420 0.684 6.689 69 HD21 LEU 9 HD21 LEU 9 -6.041 -0.830 6.337 70 HD22 LEU 9 HD22 LEU 9 -4.816 -0.689 5.077 71 HD23 LEU 9 HD23 LEU 9 -6.270 -1.646 4.791 72 H LYS 10 H LYS 10 -6.009 -1.748 1.206 73 HA LYS 10 HA LYS 10 -3.503 -2.575 2.476 74 HB2 LYS 10 HB2 LYS 10 -5.379 -4.111 1.995 75 HB3 LYS 10 HB3 LYS 10 -5.216 -3.780 0.272 76 HG2 LYS 10 HG2 LYS 10 -4.086 -5.874 0.749 77 HG3 LYS 10 HG3 LYS 10 -2.862 -4.657 0.387 78 HD2 LYS 10 HD2 LYS 10 -2.037 -5.737 2.323 79 HD3 LYS 10 HD3 LYS 10 -2.779 -4.262 2.945 80 HE2 LYS 10 HE2 LYS 10 -4.705 -5.429 3.727 81 HE3 LYS 10 HE3 LYS 10 -4.312 -6.872 2.772 82 HZ1 LYS 10 HZ1 LYS 10 -2.530 -5.767 4.876 83 HZ2 LYS 10 HZ2 LYS 10 -2.380 -7.258 4.073 84 HZ3 LYS 10 HZ3 LYS 10 -3.653 -7.003 5.169 85 H PHE 11 H PHE 11 -4.514 -1.437 -0.740 86 HA PHE 11 HA PHE 11 -2.079 -1.980 -2.153 87 HB2 PHE 11 HB2 PHE 11 -4.115 -1.488 -3.328 88 HB3 PHE 11 HB3 PHE 11 -4.330 0.027 -2.455 89 HD1 PHE 11 HD1 PHE 11 -1.844 -1.691 -4.688 90 HD2 PHE 11 HD2 PHE 11 -3.634 2.017 -3.459 91 HE1 PHE 11 HE1 PHE 11 -0.563 -0.491 -6.438 92 HE2 PHE 11 HE2 PHE 11 -2.354 3.216 -5.209 93 HZ PHE 11 HZ PHE 11 -0.818 1.962 -6.699 94 H PHE 12 H PHE 12 -3.215 1.050 -0.576 95 HA PHE 12 HA PHE 12 -0.923 2.644 -1.100 96 HB2 PHE 12 HB2 PHE 12 -3.239 2.601 0.726 97 HB3 PHE 12 HB3 PHE 12 -1.850 3.484 1.360 98 HD1 PHE 12 HD1 PHE 12 -0.869 5.380 0.072 99 HD2 PHE 12 HD2 PHE 12 -4.489 3.424 -1.161 100 HE1 PHE 12 HE1 PHE 12 -1.391 7.287 -1.424 101 HE2 PHE 12 HE2 PHE 12 -5.010 5.331 -2.657 102 HZ PHE 12 HZ PHE 12 -3.461 7.263 -2.789 103 H LEU 13 H LEU 13 -1.606 0.500 1.687 104 HA LEU 13 HA LEU 13 0.804 1.031 3.147 105 HB2 LEU 13 HB2 LEU 13 -1.439 -0.213 3.726 106 HB3 LEU 13 HB3 LEU 13 -0.601 -1.635 3.101 107 HG LEU 13 HG LEU 13 1.335 -0.929 4.677 108 HD11 LEU 13 HD11 LEU 13 0.547 1.294 5.249 109 HD12 LEU 13 HD12 LEU 13 0.491 0.298 6.704 110 HD13 LEU 13 HD13 LEU 13 -0.992 0.647 5.816 111 HD21 LEU 13 HD21 LEU 13 -0.066 -2.916 5.047 112 HD22 LEU 13 HD22 LEU 13 -1.312 -1.915 5.793 113 HD23 LEU 13 HD23 LEU 13 0.254 -2.106 6.580 114 H LEU 14 H LEU 14 0.034 -1.336 0.592 115 HA LEU 14 HA LEU 14 2.487 -2.825 0.707 116 HB2 LEU 14 HB2 LEU 14 0.096 -2.999 -0.591 117 HB3 LEU 14 HB3 LEU 14 1.126 -2.439 -1.906 118 HG LEU 14 HG LEU 14 1.072 -4.897 -1.841 119 HD11 LEU 14 HD11 LEU 14 3.427 -5.285 -1.940 120 HD12 LEU 14 HD12 LEU 14 3.762 -3.979 -0.803 121 HD13 LEU 14 HD13 LEU 14 3.193 -3.608 -2.430 122 HD21 LEU 14 HD21 LEU 14 2.391 -4.718 0.877 123 HD22 LEU 14 HD22 LEU 14 1.775 -6.156 0.064 124 HD23 LEU 14 HD23 LEU 14 0.652 -4.947 0.684 125 H VAL 15 H VAL 15 1.511 0.026 -1.178 126 HA VAL 15 HA VAL 15 3.924 0.280 -2.731 127 HB VAL 15 HB VAL 15 1.800 2.255 -1.820 128 HG11 VAL 15 HG11 VAL 15 3.994 2.539 -3.896 129 HG12 VAL 15 HG12 VAL 15 3.771 3.522 -2.447 130 HG13 VAL 15 HG13 VAL 15 2.609 3.624 -3.770 131 HG21 VAL 15 HG21 VAL 15 2.211 0.871 -4.490 132 HG22 VAL 15 HG22 VAL 15 0.844 1.884 -4.025 133 HG23 VAL 15 HG23 VAL 15 1.081 0.315 -3.255 134 H PHE 16 H PHE 16 2.943 1.550 0.450 135 HA PHE 16 HA PHE 16 5.202 3.287 0.870 136 HB2 PHE 16 HB2 PHE 16 2.870 2.977 2.069 137 HB3 PHE 16 HB3 PHE 16 3.755 1.825 3.068 138 HD1 PHE 16 HD1 PHE 16 5.632 2.560 4.486 139 HD2 PHE 16 HD2 PHE 16 3.341 5.358 2.168 140 HE1 PHE 16 HE1 PHE 16 6.584 4.432 5.804 141 HE2 PHE 16 HE2 PHE 16 4.294 7.229 3.487 142 HZ PHE 16 HZ PHE 16 5.915 6.766 5.305 143 H GLY 17 H GLY 17 4.596 -0.142 1.667 144 HA2 GLY 17 HA2 GLY 17 7.020 -0.581 3.141 145 HA3 GLY 17 HA3 GLY 17 6.056 -1.842 2.369 146 H GLU 18 H GLU 18 6.202 -1.077 -0.312 147 HA GLU 18 HA GLU 18 8.690 -2.145 -1.169 148 HB2 GLU 18 HB2 GLU 18 6.333 -1.641 -2.323 149 HB3 GLU 18 HB3 GLU 18 7.181 -0.193 -2.870 150 HG2 GLU 18 HG2 GLU 18 7.635 -1.733 -4.585 151 HG3 GLU 18 HG3 GLU 18 9.071 -1.852 -3.569 152 H ASN 19 H ASN 19 7.698 1.203 -0.606 153 HA ASN 19 HA ASN 19 9.986 2.515 -1.735 154 HB2 ASN 19 HB2 ASN 19 7.748 3.108 0.124 155 HB3 ASN 19 HB3 ASN 19 9.158 4.155 0.279 156 HD21 ASN 19 HD21 ASN 19 6.385 3.440 -1.692 157 HD22 ASN 19 HD22 ASN 19 6.719 4.556 -2.925 158 H GLY 20 H GLY 20 9.329 1.147 1.461 159 HA2 GLY 20 HA2 GLY 20 11.869 2.049 2.596 160 HA3 GLY 20 HA3 GLY 20 10.712 0.968 3.374 161 H VAL 21 H VAL 21 10.558 -0.972 1.231 162 HA VAL 21 HA VAL 21 12.715 -2.711 1.906 163 HB VAL 21 HB VAL 21 10.738 -2.590 -0.386 164 HG11 VAL 21 HG11 VAL 21 12.554 -3.899 -1.247 165 HG12 VAL 21 HG12 VAL 21 11.346 -5.050 -0.676 166 HG13 VAL 21 HG13 VAL 21 12.779 -4.722 0.296 167 HG21 VAL 21 HG21 VAL 21 9.968 -2.970 2.008 168 HG22 VAL 21 HG22 VAL 21 10.897 -4.468 1.988 169 HG23 VAL 21 HG23 VAL 21 9.544 -4.255 0.878 170 H PHE 22 H PHE 22 12.513 -0.177 -0.493 171 HA PHE 22 HA PHE 22 14.791 -1.122 -2.079 172 HB2 PHE 22 HB2 PHE 22 12.762 0.997 -2.111 173 HB3 PHE 22 HB3 PHE 22 14.340 1.553 -2.667 174 HD1 PHE 22 HD1 PHE 22 11.699 -1.013 -3.197 175 HD2 PHE 22 HD2 PHE 22 15.242 0.844 -4.762 176 HE1 PHE 22 HE1 PHE 22 11.341 -2.159 -5.366 177 HE2 PHE 22 HE2 PHE 22 14.883 -0.302 -6.932 178 HZ PHE 22 HZ PHE 22 12.933 -1.804 -7.234 179 H PHE 23 H PHE 23 14.455 0.578 0.883 180 HA PHE 23 HA PHE 23 17.292 1.538 0.678 181 HB2 PHE 23 HB2 PHE 23 15.025 3.081 0.811 182 HB3 PHE 23 HB3 PHE 23 15.447 2.938 2.517 183 HD1 PHE 23 HD1 PHE 23 16.847 3.833 -0.829 184 HD2 PHE 23 HD2 PHE 23 17.233 4.189 3.435 185 HE1 PHE 23 HE1 PHE 23 18.646 5.513 -1.132 186 HE2 PHE 23 HE2 PHE 23 19.032 5.869 3.131 187 HZ PHE 23 HZ PHE 23 19.739 6.530 0.848 188 H TYR 24 H TYR 24 16.074 -1.013 1.822 189 HA TYR 24 HA TYR 24 17.403 -0.852 4.475 190 HB2 TYR 24 HB2 TYR 24 14.594 -0.676 4.066 191 HB3 TYR 24 HB3 TYR 24 14.905 -2.274 4.737 192 HD1 TYR 24 HD1 TYR 24 16.292 -2.462 6.864 193 HD2 TYR 24 HD2 TYR 24 14.735 1.272 5.417 194 HE1 TYR 24 HE1 TYR 24 16.612 -1.458 9.109 195 HE2 TYR 24 HE2 TYR 24 15.055 2.275 7.662 196 HH TYR 24 HH TYR 24 15.215 0.919 10.275 197 H LYS 25 H LYS 25 18.303 -2.187 2.147 198 HA LYS 25 HA LYS 25 17.926 -5.062 2.928 199 HB2 LYS 25 HB2 LYS 25 17.237 -3.685 0.513 200 HB3 LYS 25 HB3 LYS 25 18.565 -4.789 0.148 201 HG2 LYS 25 HG2 LYS 25 17.238 -6.571 1.422 202 HG3 LYS 25 HG3 LYS 25 15.875 -5.454 1.357 203 HD2 LYS 25 HD2 LYS 25 15.511 -5.841 -0.849 204 HD3 LYS 25 HD3 LYS 25 17.234 -5.812 -1.228 205 HE2 LYS 25 HE2 LYS 25 17.110 -8.144 0.166 206 HE3 LYS 25 HE3 LYS 25 15.492 -8.125 -0.562 207 HZ1 LYS 25 HZ1 LYS 25 17.018 -9.087 -2.126 208 HZ2 LYS 25 HZ2 LYS 25 18.085 -7.773 -1.978 209 HZ3 LYS 25 HZ3 LYS 25 16.562 -7.559 -2.704 Start of MODEL 12 1 HA HIS 1 HA HIS 1 -21.501 2.514 -0.254 2 HB2 HIS 1 HB2 HIS 1 -24.018 2.269 -0.560 3 HB3 HIS 1 HB3 HIS 1 -23.684 1.639 -2.172 4 HD1 HIS 1 HD1 HIS 1 -24.248 -0.807 -1.845 5 HD2 HIS 1 HD2 HIS 1 -21.647 0.619 1.085 6 HE1 HIS 1 HE1 HIS 1 -23.487 -2.825 -0.517 7 H ALA 2 H ALA 2 -19.526 1.881 -1.050 8 HA ALA 2 HA ALA 2 -19.384 0.744 -3.801 9 HB1 ALA 2 HB1 ALA 2 -17.697 3.008 -2.685 10 HB2 ALA 2 HB2 ALA 2 -18.820 3.101 -4.042 11 HB3 ALA 2 HB3 ALA 2 -17.335 2.159 -4.188 12 H TRP 3 H TRP 3 -18.149 -1.107 -3.768 13 HA TRP 3 HA TRP 3 -16.809 -1.915 -1.283 14 HB2 TRP 3 HB2 TRP 3 -18.181 -3.235 -3.167 15 HB3 TRP 3 HB3 TRP 3 -16.571 -3.416 -3.865 16 HD1 TRP 3 HD1 TRP 3 -14.657 -4.410 -2.082 17 HE1 TRP 3 HE1 TRP 3 -14.943 -6.278 -0.326 18 HE3 TRP 3 HE3 TRP 3 -19.745 -4.429 -1.630 19 HZ2 TRP 3 HZ2 TRP 3 -17.051 -7.605 1.081 20 HZ3 TRP 3 HZ3 TRP 3 -20.864 -6.003 -0.078 21 HH2 TRP 3 HH2 TRP 3 -19.524 -7.589 1.278 22 H TYR 4 H TYR 4 -15.228 -0.024 -1.451 23 HA TYR 4 HA TYR 4 -12.728 -0.945 -2.733 24 HB2 TYR 4 HB2 TYR 4 -14.283 0.515 -4.286 25 HB3 TYR 4 HB3 TYR 4 -13.681 1.853 -3.309 26 HD1 TYR 4 HD1 TYR 4 -12.262 -1.242 -4.920 27 HD2 TYR 4 HD2 TYR 4 -11.844 2.971 -4.184 28 HE1 TYR 4 HE1 TYR 4 -10.165 -1.218 -6.242 29 HE2 TYR 4 HE2 TYR 4 -9.748 2.992 -5.507 30 HH TYR 4 HH TYR 4 -7.917 0.931 -6.083 31 H SER 5 H SER 5 -13.517 -0.627 0.036 32 HA SER 5 HA SER 5 -12.142 1.854 0.939 33 HB2 SER 5 HB2 SER 5 -13.935 -0.232 2.173 34 HB3 SER 5 HB3 SER 5 -13.026 0.881 3.191 35 HG SER 5 HG SER 5 -15.005 1.442 1.247 36 H HIS 6 H HIS 6 -12.008 -1.676 1.431 37 HA HIS 6 HA HIS 6 -9.535 -1.577 2.971 38 HB2 HIS 6 HB2 HIS 6 -11.446 -3.571 1.901 39 HB3 HIS 6 HB3 HIS 6 -9.792 -4.154 2.080 40 HD1 HIS 6 HD1 HIS 6 -12.823 -3.751 3.970 41 HD2 HIS 6 HD2 HIS 6 -8.761 -3.453 4.864 42 HE1 HIS 6 HE1 HIS 6 -12.627 -3.938 6.489 43 H TYR 7 H TYR 7 -10.306 -1.669 -0.426 44 HA TYR 7 HA TYR 7 -7.913 -2.858 -1.454 45 HB2 TYR 7 HB2 TYR 7 -10.173 -1.194 -2.398 46 HB3 TYR 7 HB3 TYR 7 -8.705 -1.057 -3.363 47 HD1 TYR 7 HD1 TYR 7 -7.516 -3.337 -3.960 48 HD2 TYR 7 HD2 TYR 7 -11.641 -2.968 -2.813 49 HE1 TYR 7 HE1 TYR 7 -8.008 -5.519 -5.026 50 HE2 TYR 7 HE2 TYR 7 -12.131 -5.152 -3.881 51 HH TYR 7 HH TYR 7 -10.127 -7.386 -4.499 52 H VAL 8 H VAL 8 -8.741 0.558 -0.834 53 HA VAL 8 HA VAL 8 -6.190 1.611 -1.664 54 HB VAL 8 HB VAL 8 -8.510 2.741 -1.304 55 HG11 VAL 8 HG11 VAL 8 -7.390 3.308 1.438 56 HG12 VAL 8 HG12 VAL 8 -8.490 1.957 1.167 57 HG13 VAL 8 HG13 VAL 8 -9.019 3.605 0.830 58 HG21 VAL 8 HG21 VAL 8 -5.916 4.016 -0.390 59 HG22 VAL 8 HG22 VAL 8 -7.384 4.921 -0.763 60 HG23 VAL 8 HG23 VAL 8 -6.568 4.002 -2.028 61 H LEU 9 H LEU 9 -7.343 0.178 1.314 62 HA LEU 9 HA LEU 9 -5.100 1.113 2.957 63 HB2 LEU 9 HB2 LEU 9 -7.671 0.007 3.313 64 HB3 LEU 9 HB3 LEU 9 -6.558 -1.207 3.939 65 HG LEU 9 HG LEU 9 -7.249 0.425 5.685 66 HD11 LEU 9 HD11 LEU 9 -5.099 0.687 6.618 67 HD12 LEU 9 HD12 LEU 9 -4.344 0.918 5.041 68 HD13 LEU 9 HD13 LEU 9 -4.907 -0.682 5.524 69 HD21 LEU 9 HD21 LEU 9 -7.338 2.318 3.882 70 HD22 LEU 9 HD22 LEU 9 -5.621 2.507 4.238 71 HD23 LEU 9 HD23 LEU 9 -6.817 2.727 5.516 72 H LYS 10 H LYS 10 -5.858 -1.700 0.956 73 HA LYS 10 HA LYS 10 -3.562 -3.247 2.015 74 HB2 LYS 10 HB2 LYS 10 -5.921 -4.082 1.303 75 HB3 LYS 10 HB3 LYS 10 -5.321 -3.922 -0.347 76 HG2 LYS 10 HG2 LYS 10 -4.740 -6.127 0.111 77 HG3 LYS 10 HG3 LYS 10 -3.264 -5.289 0.597 78 HD2 LYS 10 HD2 LYS 10 -4.757 -5.150 2.898 79 HD3 LYS 10 HD3 LYS 10 -5.247 -6.716 2.252 80 HE2 LYS 10 HE2 LYS 10 -2.321 -6.102 2.208 81 HE3 LYS 10 HE3 LYS 10 -3.054 -6.466 3.783 82 HZ1 LYS 10 HZ1 LYS 10 -3.960 -8.483 2.933 83 HZ2 LYS 10 HZ2 LYS 10 -2.312 -8.467 2.519 84 HZ3 LYS 10 HZ3 LYS 10 -3.488 -8.111 1.346 85 H PHE 11 H PHE 11 -4.504 -1.500 -0.950 86 HA PHE 11 HA PHE 11 -2.137 -2.278 -2.457 87 HB2 PHE 11 HB2 PHE 11 -4.307 -1.644 -3.463 88 HB3 PHE 11 HB3 PHE 11 -4.146 -0.021 -2.792 89 HD1 PHE 11 HD1 PHE 11 -2.687 -2.444 -5.204 90 HD2 PHE 11 HD2 PHE 11 -2.737 1.623 -3.820 91 HE1 PHE 11 HE1 PHE 11 -1.365 -1.752 -7.185 92 HE2 PHE 11 HE2 PHE 11 -1.416 2.314 -5.800 93 HZ PHE 11 HZ PHE 11 -0.730 0.627 -7.483 94 H PHE 12 H PHE 12 -3.120 0.781 -0.826 95 HA PHE 12 HA PHE 12 -0.752 2.262 -1.376 96 HB2 PHE 12 HB2 PHE 12 -2.969 3.057 -0.439 97 HB3 PHE 12 HB3 PHE 12 -2.475 2.389 1.117 98 HD1 PHE 12 HD1 PHE 12 -1.425 4.788 -1.551 99 HD2 PHE 12 HD2 PHE 12 -1.065 3.610 2.565 100 HE1 PHE 12 HE1 PHE 12 -0.120 6.841 -1.077 101 HE2 PHE 12 HE2 PHE 12 0.242 5.665 3.037 102 HZ PHE 12 HZ PHE 12 0.713 7.280 1.217 103 H LEU 13 H LEU 13 -1.550 0.230 1.475 104 HA LEU 13 HA LEU 13 0.849 0.616 2.946 105 HB2 LEU 13 HB2 LEU 13 -1.275 -0.505 3.682 106 HB3 LEU 13 HB3 LEU 13 -0.840 -1.896 2.688 107 HG LEU 13 HG LEU 13 1.424 -1.218 4.307 108 HD11 LEU 13 HD11 LEU 13 0.546 -1.403 6.538 109 HD12 LEU 13 HD12 LEU 13 -1.080 -1.722 5.935 110 HD13 LEU 13 HD13 LEU 13 -0.365 -0.122 5.737 111 HD21 LEU 13 HD21 LEU 13 1.287 -3.506 4.927 112 HD22 LEU 13 HD22 LEU 13 0.597 -3.450 3.306 113 HD23 LEU 13 HD23 LEU 13 -0.462 -3.544 4.713 114 H LEU 14 H LEU 14 0.113 -1.640 0.285 115 HA LEU 14 HA LEU 14 2.578 -3.135 0.419 116 HB2 LEU 14 HB2 LEU 14 0.278 -3.582 -0.756 117 HB3 LEU 14 HB3 LEU 14 0.969 -2.651 -2.084 118 HG LEU 14 HG LEU 14 2.725 -4.756 -0.947 119 HD11 LEU 14 HD11 LEU 14 0.525 -5.888 -0.930 120 HD12 LEU 14 HD12 LEU 14 1.579 -6.556 -2.177 121 HD13 LEU 14 HD13 LEU 14 0.287 -5.441 -2.620 122 HD21 LEU 14 HD21 LEU 14 3.491 -4.893 -3.166 123 HD22 LEU 14 HD22 LEU 14 3.047 -3.193 -3.015 124 HD23 LEU 14 HD23 LEU 14 1.961 -4.318 -3.829 125 H VAL 15 H VAL 15 1.527 -0.415 -1.632 126 HA VAL 15 HA VAL 15 4.004 -0.113 -3.073 127 HB VAL 15 HB VAL 15 1.684 1.745 -2.443 128 HG11 VAL 15 HG11 VAL 15 3.463 3.216 -3.018 129 HG12 VAL 15 HG12 VAL 15 2.573 2.977 -4.521 130 HG13 VAL 15 HG13 VAL 15 4.084 2.111 -4.245 131 HG21 VAL 15 HG21 VAL 15 1.513 -0.459 -3.883 132 HG22 VAL 15 HG22 VAL 15 2.314 0.517 -5.114 133 HG23 VAL 15 HG23 VAL 15 0.756 1.025 -4.463 134 H PHE 16 H PHE 16 2.674 1.613 -0.222 135 HA PHE 16 HA PHE 16 4.945 3.333 0.192 136 HB2 PHE 16 HB2 PHE 16 2.466 3.284 1.121 137 HB3 PHE 16 HB3 PHE 16 3.185 2.326 2.414 138 HD1 PHE 16 HD1 PHE 16 5.133 3.284 3.724 139 HD2 PHE 16 HD2 PHE 16 2.783 5.640 1.007 140 HE1 PHE 16 HE1 PHE 16 5.989 5.357 4.779 141 HE2 PHE 16 HE2 PHE 16 3.639 7.712 2.064 142 HZ PHE 16 HZ PHE 16 5.243 7.571 3.951 143 H GLY 17 H GLY 17 4.156 0.048 1.290 144 HA2 GLY 17 HA2 GLY 17 6.233 -0.220 3.243 145 HA3 GLY 17 HA3 GLY 17 5.445 -1.560 2.408 146 H GLU 18 H GLU 18 6.135 -1.045 -0.242 147 HA GLU 18 HA GLU 18 8.793 -2.090 -0.418 148 HB2 GLU 18 HB2 GLU 18 6.600 -1.256 -2.154 149 HB3 GLU 18 HB3 GLU 18 8.166 -0.875 -2.866 150 HG2 GLU 18 HG2 GLU 18 8.379 -3.036 -3.459 151 HG3 GLU 18 HG3 GLU 18 8.416 -3.467 -1.750 152 H ASN 19 H ASN 19 7.540 1.218 -0.625 153 HA ASN 19 HA ASN 19 9.882 2.539 -1.563 154 HB2 ASN 19 HB2 ASN 19 7.384 3.195 -0.111 155 HB3 ASN 19 HB3 ASN 19 8.696 4.357 0.088 156 HD21 ASN 19 HD21 ASN 19 6.618 2.790 -2.354 157 HD22 ASN 19 HD22 ASN 19 6.922 3.927 -3.577 158 H GLY 20 H GLY 20 9.149 1.167 1.564 159 HA2 GLY 20 HA2 GLY 20 11.562 2.480 2.732 160 HA3 GLY 20 HA3 GLY 20 10.244 1.790 3.677 161 H VAL 21 H VAL 21 10.017 -0.692 2.190 162 HA VAL 21 HA VAL 21 12.207 -2.169 3.459 163 HB VAL 21 HB VAL 21 9.796 -2.914 1.784 164 HG11 VAL 21 HG11 VAL 21 11.365 -4.682 1.412 165 HG12 VAL 21 HG12 VAL 21 10.286 -5.255 2.683 166 HG13 VAL 21 HG13 VAL 21 11.894 -4.660 3.095 167 HG21 VAL 21 HG21 VAL 21 10.195 -3.695 4.643 168 HG22 VAL 21 HG22 VAL 21 8.707 -3.286 3.789 169 HG23 VAL 21 HG23 VAL 21 9.807 -2.009 4.305 170 H PHE 22 H PHE 22 11.146 -1.597 0.102 171 HA PHE 22 HA PHE 22 13.210 -3.196 -1.127 172 HB2 PHE 22 HB2 PHE 22 10.946 -2.331 -2.027 173 HB3 PHE 22 HB3 PHE 22 11.803 -0.828 -2.361 174 HD1 PHE 22 HD1 PHE 22 11.761 -4.481 -3.080 175 HD2 PHE 22 HD2 PHE 22 13.289 -0.628 -4.211 176 HE1 PHE 22 HE1 PHE 22 12.671 -5.455 -5.170 177 HE2 PHE 22 HE2 PHE 22 14.200 -1.604 -6.301 178 HZ PHE 22 HZ PHE 22 13.890 -4.018 -6.781 179 H PHE 23 H PHE 23 13.269 -0.030 0.273 180 HA PHE 23 HA PHE 23 15.863 0.573 -1.109 181 HB2 PHE 23 HB2 PHE 23 13.756 2.336 0.188 182 HB3 PHE 23 HB3 PHE 23 15.278 2.935 -0.470 183 HD1 PHE 23 HD1 PHE 23 15.749 2.776 -2.909 184 HD2 PHE 23 HD2 PHE 23 11.949 1.641 -1.256 185 HE1 PHE 23 HE1 PHE 23 14.743 2.835 -5.175 186 HE2 PHE 23 HE2 PHE 23 10.945 1.701 -3.521 187 HZ PHE 23 HZ PHE 23 12.342 2.299 -5.481 188 H TYR 24 H TYR 24 16.006 -1.223 1.000 189 HA TYR 24 HA TYR 24 17.634 0.260 2.955 190 HB2 TYR 24 HB2 TYR 24 14.932 -0.012 3.417 191 HB3 TYR 24 HB3 TYR 24 15.584 -1.409 4.269 192 HD1 TYR 24 HD1 TYR 24 15.564 2.275 4.061 193 HD2 TYR 24 HD2 TYR 24 17.062 -1.145 6.185 194 HE1 TYR 24 HE1 TYR 24 16.305 3.749 5.910 195 HE2 TYR 24 HE2 TYR 24 17.803 0.331 8.035 196 HH TYR 24 HH TYR 24 18.414 3.235 7.936 197 H LYS 25 H LYS 25 18.698 -1.531 1.291 198 HA LYS 25 HA LYS 25 19.297 -3.873 3.025 199 HB2 LYS 25 HB2 LYS 25 17.348 -4.160 1.253 200 HB3 LYS 25 HB3 LYS 25 18.690 -4.330 0.121 201 HG2 LYS 25 HG2 LYS 25 19.570 -5.972 2.067 202 HG3 LYS 25 HG3 LYS 25 17.833 -6.135 2.328 203 HD2 LYS 25 HD2 LYS 25 19.086 -6.409 -0.411 204 HD3 LYS 25 HD3 LYS 25 18.886 -7.784 0.675 205 HE2 LYS 25 HE2 LYS 25 16.530 -7.673 0.589 206 HE3 LYS 25 HE3 LYS 25 16.540 -5.991 0.023 207 HZ1 LYS 25 HZ1 LYS 25 17.455 -8.389 -1.478 208 HZ2 LYS 25 HZ2 LYS 25 17.718 -6.791 -1.996 209 HZ3 LYS 25 HZ3 LYS 25 16.135 -7.392 -1.854 Start of MODEL 13 1 HA HIS 1 HA HIS 1 -19.887 2.331 3.084 2 HB2 HIS 1 HB2 HIS 1 -20.288 0.220 1.676 3 HB3 HIS 1 HB3 HIS 1 -21.334 1.592 1.334 4 HD1 HIS 1 HD1 HIS 1 -21.532 2.128 -1.083 5 HD2 HIS 1 HD2 HIS 1 -17.893 0.287 -0.239 6 HE1 HIS 1 HE1 HIS 1 -20.334 1.859 -3.298 7 H ALA 2 H ALA 2 -18.869 -0.115 3.239 8 HA ALA 2 HA ALA 2 -15.957 0.325 3.465 9 HB1 ALA 2 HB1 ALA 2 -17.616 -0.730 5.160 10 HB2 ALA 2 HB2 ALA 2 -16.071 -1.545 4.924 11 HB3 ALA 2 HB3 ALA 2 -17.524 -2.169 4.145 12 H TRP 3 H TRP 3 -15.215 -2.457 3.162 13 HA TRP 3 HA TRP 3 -14.550 -4.038 1.552 14 HB2 TRP 3 HB2 TRP 3 -16.697 -2.834 -0.220 15 HB3 TRP 3 HB3 TRP 3 -16.069 -4.478 -0.252 16 HD1 TRP 3 HD1 TRP 3 -16.343 -5.641 2.440 17 HE1 TRP 3 HE1 TRP 3 -18.559 -5.774 3.752 18 HE3 TRP 3 HE3 TRP 3 -18.993 -1.972 0.073 19 HZ2 TRP 3 HZ2 TRP 3 -21.115 -4.494 3.791 20 HZ3 TRP 3 HZ3 TRP 3 -21.315 -1.452 0.768 21 HH2 TRP 3 HH2 TRP 3 -22.378 -2.707 2.623 22 H TYR 4 H TYR 4 -15.535 -1.238 -0.494 23 HA TYR 4 HA TYR 4 -13.097 -1.399 -2.058 24 HB2 TYR 4 HB2 TYR 4 -14.249 0.029 -3.421 25 HB3 TYR 4 HB3 TYR 4 -15.612 -0.372 -2.384 26 HD1 TYR 4 HD1 TYR 4 -16.121 1.146 -0.391 27 HD2 TYR 4 HD2 TYR 4 -13.375 2.228 -3.513 28 HE1 TYR 4 HE1 TYR 4 -16.297 3.528 0.278 29 HE2 TYR 4 HE2 TYR 4 -13.552 4.609 -2.844 30 HH TYR 4 HH TYR 4 -14.237 5.778 -0.383 31 H SER 5 H SER 5 -14.019 0.300 0.847 32 HA SER 5 HA SER 5 -11.935 2.323 0.773 33 HB2 SER 5 HB2 SER 5 -12.653 2.635 3.134 34 HB3 SER 5 HB3 SER 5 -14.034 2.537 2.045 35 HG SER 5 HG SER 5 -13.126 0.748 3.979 36 H HIS 6 H HIS 6 -12.073 -1.025 1.757 37 HA HIS 6 HA HIS 6 -9.554 -0.852 3.302 38 HB2 HIS 6 HB2 HIS 6 -11.695 -2.882 2.754 39 HB3 HIS 6 HB3 HIS 6 -10.126 -3.440 3.334 40 HD1 HIS 6 HD1 HIS 6 -9.269 -2.196 5.617 41 HD2 HIS 6 HD2 HIS 6 -13.341 -1.925 4.767 42 HE1 HIS 6 HE1 HIS 6 -10.407 -1.508 7.773 43 H TYR 7 H TYR 7 -10.742 -2.095 0.206 44 HA TYR 7 HA TYR 7 -8.388 -3.561 -0.540 45 HB2 TYR 7 HB2 TYR 7 -10.880 -2.575 -1.733 46 HB3 TYR 7 HB3 TYR 7 -9.544 -2.599 -2.883 47 HD1 TYR 7 HD1 TYR 7 -8.188 -4.747 -3.134 48 HD2 TYR 7 HD2 TYR 7 -11.947 -4.585 -1.063 49 HE1 TYR 7 HE1 TYR 7 -8.412 -7.207 -3.348 50 HE2 TYR 7 HE2 TYR 7 -12.170 -7.045 -1.274 51 HH TYR 7 HH TYR 7 -10.155 -9.051 -1.615 52 H VAL 8 H VAL 8 -9.374 -0.190 -1.125 53 HA VAL 8 HA VAL 8 -7.062 0.567 -2.657 54 HB VAL 8 HB VAL 8 -9.289 1.765 -2.446 55 HG11 VAL 8 HG11 VAL 8 -9.327 1.585 0.085 56 HG12 VAL 8 HG12 VAL 8 -9.707 3.185 -0.553 57 HG13 VAL 8 HG13 VAL 8 -8.110 2.861 0.120 58 HG21 VAL 8 HG21 VAL 8 -7.218 2.821 -3.395 59 HG22 VAL 8 HG22 VAL 8 -6.872 3.478 -1.795 60 HG23 VAL 8 HG23 VAL 8 -8.323 3.983 -2.662 61 H LEU 9 H LEU 9 -7.677 0.275 0.789 62 HA LEU 9 HA LEU 9 -5.324 1.721 1.696 63 HB2 LEU 9 HB2 LEU 9 -7.572 1.007 2.878 64 HB3 LEU 9 HB3 LEU 9 -6.702 -0.492 3.207 65 HG LEU 9 HG LEU 9 -4.800 1.088 4.053 66 HD11 LEU 9 HD11 LEU 9 -5.728 3.196 5.028 67 HD12 LEU 9 HD12 LEU 9 -7.241 2.885 4.178 68 HD13 LEU 9 HD13 LEU 9 -5.763 3.185 3.264 69 HD21 LEU 9 HD21 LEU 9 -5.841 1.118 6.305 70 HD22 LEU 9 HD22 LEU 9 -6.092 -0.429 5.498 71 HD23 LEU 9 HD23 LEU 9 -7.405 0.748 5.577 72 H LYS 10 H LYS 10 -6.078 -1.681 0.940 73 HA LYS 10 HA LYS 10 -3.680 -2.888 1.926 74 HB2 LYS 10 HB2 LYS 10 -5.908 -3.882 1.043 75 HB3 LYS 10 HB3 LYS 10 -5.185 -3.732 -0.559 76 HG2 LYS 10 HG2 LYS 10 -3.549 -5.324 -0.122 77 HG3 LYS 10 HG3 LYS 10 -3.604 -5.055 1.621 78 HD2 LYS 10 HD2 LYS 10 -6.108 -5.948 1.289 79 HD3 LYS 10 HD3 LYS 10 -5.361 -6.755 -0.092 80 HE2 LYS 10 HE2 LYS 10 -3.563 -7.598 1.511 81 HE3 LYS 10 HE3 LYS 10 -4.594 -7.012 2.833 82 HZ1 LYS 10 HZ1 LYS 10 -5.152 -9.292 2.346 83 HZ2 LYS 10 HZ2 LYS 10 -5.377 -8.935 0.701 84 HZ3 LYS 10 HZ3 LYS 10 -6.440 -8.299 1.866 85 H PHE 11 H PHE 11 -4.465 -1.547 -1.309 86 HA PHE 11 HA PHE 11 -1.944 -2.135 -2.551 87 HB2 PHE 11 HB2 PHE 11 -4.019 -1.517 -3.744 88 HB3 PHE 11 HB3 PHE 11 -3.964 0.093 -3.022 89 HD1 PHE 11 HD1 PHE 11 -2.365 -2.195 -5.444 90 HD2 PHE 11 HD2 PHE 11 -2.361 1.761 -3.769 91 HE1 PHE 11 HE1 PHE 11 -0.871 -1.425 -7.266 92 HE2 PHE 11 HE2 PHE 11 -0.867 2.531 -5.592 93 HZ PHE 11 HZ PHE 11 -0.122 0.938 -7.340 94 H PHE 12 H PHE 12 -3.125 0.783 -0.835 95 HA PHE 12 HA PHE 12 -0.816 2.420 -1.173 96 HB2 PHE 12 HB2 PHE 12 -3.244 2.297 0.451 97 HB3 PHE 12 HB3 PHE 12 -1.894 2.988 1.351 98 HD1 PHE 12 HD1 PHE 12 -0.739 5.016 0.542 99 HD2 PHE 12 HD2 PHE 12 -4.177 3.423 -1.484 100 HE1 PHE 12 HE1 PHE 12 -0.996 7.147 -0.698 101 HE2 PHE 12 HE2 PHE 12 -4.433 5.556 -2.723 102 HZ PHE 12 HZ PHE 12 -2.842 7.417 -2.331 103 H LEU 13 H LEU 13 -1.652 0.154 1.478 104 HA LEU 13 HA LEU 13 0.678 0.510 3.074 105 HB2 LEU 13 HB2 LEU 13 -1.542 -0.789 3.450 106 HB3 LEU 13 HB3 LEU 13 -0.732 -2.128 2.637 107 HG LEU 13 HG LEU 13 1.196 -1.708 4.322 108 HD11 LEU 13 HD11 LEU 13 -1.112 -0.250 5.642 109 HD12 LEU 13 HD12 LEU 13 0.461 0.422 5.212 110 HD13 LEU 13 HD13 LEU 13 0.337 -0.776 6.500 111 HD21 LEU 13 HD21 LEU 13 0.058 -3.125 6.014 112 HD22 LEU 13 HD22 LEU 13 -0.257 -3.691 4.375 113 HD23 LEU 13 HD23 LEU 13 -1.491 -2.779 5.246 114 H LEU 14 H LEU 14 0.084 -1.596 0.260 115 HA LEU 14 HA LEU 14 2.528 -3.076 0.313 116 HB2 LEU 14 HB2 LEU 14 0.249 -3.147 -1.103 117 HB3 LEU 14 HB3 LEU 14 1.238 -2.266 -2.265 118 HG LEU 14 HG LEU 14 1.331 -4.706 -2.659 119 HD11 LEU 14 HD11 LEU 14 3.352 -3.059 -2.912 120 HD12 LEU 14 HD12 LEU 14 3.635 -4.795 -3.040 121 HD13 LEU 14 HD13 LEU 14 4.017 -3.948 -1.541 122 HD21 LEU 14 HD21 LEU 14 2.170 -6.234 -1.041 123 HD22 LEU 14 HD22 LEU 14 1.033 -5.218 -0.154 124 HD23 LEU 14 HD23 LEU 14 2.768 -4.935 -0.008 125 H VAL 15 H VAL 15 1.684 0.043 -1.156 126 HA VAL 15 HA VAL 15 4.212 0.474 -2.497 127 HB VAL 15 HB VAL 15 2.079 2.403 -1.502 128 HG11 VAL 15 HG11 VAL 15 3.030 3.668 -3.608 129 HG12 VAL 15 HG12 VAL 15 4.470 2.700 -3.295 130 HG13 VAL 15 HG13 VAL 15 3.861 3.799 -2.059 131 HG21 VAL 15 HG21 VAL 15 1.944 0.371 -3.463 132 HG22 VAL 15 HG22 VAL 15 2.108 1.885 -4.351 133 HG23 VAL 15 HG23 VAL 15 0.787 1.675 -3.203 134 H PHE 16 H PHE 16 2.939 1.330 0.720 135 HA PHE 16 HA PHE 16 5.050 3.047 1.590 136 HB2 PHE 16 HB2 PHE 16 2.946 1.306 2.807 137 HB3 PHE 16 HB3 PHE 16 4.233 1.867 3.871 138 HD1 PHE 16 HD1 PHE 16 4.834 4.449 3.635 139 HD2 PHE 16 HD2 PHE 16 1.090 2.682 2.485 140 HE1 PHE 16 HE1 PHE 16 3.737 6.667 3.791 141 HE2 PHE 16 HE2 PHE 16 -0.004 4.900 2.641 142 HZ PHE 16 HZ PHE 16 1.319 6.894 3.293 143 H GLY 17 H GLY 17 4.676 -0.503 1.810 144 HA2 GLY 17 HA2 GLY 17 7.105 -1.003 3.249 145 HA3 GLY 17 HA3 GLY 17 6.243 -2.189 2.267 146 H GLU 18 H GLU 18 6.388 -1.218 -0.267 147 HA GLU 18 HA GLU 18 9.054 -1.816 -1.098 148 HB2 GLU 18 HB2 GLU 18 6.590 -1.593 -2.256 149 HB3 GLU 18 HB3 GLU 18 7.369 -0.132 -2.865 150 HG2 GLU 18 HG2 GLU 18 8.802 -1.300 -4.191 151 HG3 GLU 18 HG3 GLU 18 9.066 -2.545 -2.970 152 H ASN 19 H ASN 19 7.484 1.253 -0.337 153 HA ASN 19 HA ASN 19 9.431 3.031 -1.458 154 HB2 ASN 19 HB2 ASN 19 7.176 3.084 0.427 155 HB3 ASN 19 HB3 ASN 19 8.409 4.292 0.785 156 HD21 ASN 19 HD21 ASN 19 6.239 3.135 -1.818 157 HD22 ASN 19 HD22 ASN 19 6.258 4.590 -2.694 158 H GLY 20 H GLY 20 9.514 1.019 1.383 159 HA2 GLY 20 HA2 GLY 20 11.960 2.435 2.350 160 HA3 GLY 20 HA3 GLY 20 10.936 1.416 3.359 161 H VAL 21 H VAL 21 10.641 -0.809 1.598 162 HA VAL 21 HA VAL 21 13.194 -2.149 2.064 163 HB VAL 21 HB VAL 21 10.563 -2.928 0.779 164 HG11 VAL 21 HG11 VAL 21 12.191 -4.367 -0.230 165 HG12 VAL 21 HG12 VAL 21 11.466 -5.296 1.083 166 HG13 VAL 21 HG13 VAL 21 13.059 -4.564 1.293 167 HG21 VAL 21 HG21 VAL 21 11.675 -4.092 3.305 168 HG22 VAL 21 HG22 VAL 21 9.995 -3.817 2.846 169 HG23 VAL 21 HG23 VAL 21 10.999 -2.464 3.367 170 H PHE 22 H PHE 22 11.326 -1.344 -0.879 171 HA PHE 22 HA PHE 22 13.304 -2.310 -2.733 172 HB2 PHE 22 HB2 PHE 22 10.697 -1.327 -2.779 173 HB3 PHE 22 HB3 PHE 22 11.612 -0.125 -3.687 174 HD1 PHE 22 HD1 PHE 22 10.698 -3.710 -3.490 175 HD2 PHE 22 HD2 PHE 22 12.609 -0.648 -5.820 176 HE1 PHE 22 HE1 PHE 22 10.770 -5.239 -5.441 177 HE2 PHE 22 HE2 PHE 22 12.680 -2.177 -7.771 178 HZ PHE 22 HZ PHE 22 11.759 -4.472 -7.581 179 H PHE 23 H PHE 23 13.149 0.603 -0.859 180 HA PHE 23 HA PHE 23 15.091 1.993 -2.646 181 HB2 PHE 23 HB2 PHE 23 13.225 2.749 -0.413 182 HB3 PHE 23 HB3 PHE 23 14.574 3.813 -0.809 183 HD1 PHE 23 HD1 PHE 23 14.732 4.892 -3.022 184 HD2 PHE 23 HD2 PHE 23 11.378 2.427 -1.960 185 HE1 PHE 23 HE1 PHE 23 13.459 5.791 -4.949 186 HE2 PHE 23 HE2 PHE 23 10.105 3.327 -3.888 187 HZ PHE 23 HZ PHE 23 11.146 5.009 -5.382 188 H TYR 24 H TYR 24 15.570 -0.349 -0.567 189 HA TYR 24 HA TYR 24 17.696 1.022 1.041 190 HB2 TYR 24 HB2 TYR 24 15.602 -0.667 1.738 191 HB3 TYR 24 HB3 TYR 24 16.991 -1.752 1.703 192 HD1 TYR 24 HD1 TYR 24 19.071 -1.131 3.027 193 HD2 TYR 24 HD2 TYR 24 15.319 0.907 3.498 194 HE1 TYR 24 HE1 TYR 24 19.833 -0.227 5.207 195 HE2 TYR 24 HE2 TYR 24 16.082 1.811 5.675 196 HH TYR 24 HH TYR 24 18.189 0.726 7.479 197 H LYS 25 H LYS 25 18.083 0.298 -1.771 198 HA LYS 25 HA LYS 25 19.857 -2.093 -1.632 199 HB2 LYS 25 HB2 LYS 25 19.310 -2.377 -3.840 200 HB3 LYS 25 HB3 LYS 25 17.952 -1.341 -3.417 201 HG2 LYS 25 HG2 LYS 25 20.556 -0.140 -4.363 202 HG3 LYS 25 HG3 LYS 25 19.372 -0.742 -5.519 203 HD2 LYS 25 HD2 LYS 25 17.712 0.797 -4.791 204 HD3 LYS 25 HD3 LYS 25 18.610 1.192 -3.327 205 HE2 LYS 25 HE2 LYS 25 20.042 1.685 -5.892 206 HE3 LYS 25 HE3 LYS 25 18.684 2.767 -5.526 207 HZ1 LYS 25 HZ1 LYS 25 20.819 2.075 -3.574 208 HZ2 LYS 25 HZ2 LYS 25 19.594 3.240 -3.389 209 HZ3 LYS 25 HZ3 LYS 25 20.835 3.483 -4.525 Start of MODEL 14 1 HA HIS 1 HA HIS 1 -21.054 0.883 5.200 2 HB2 HIS 1 HB2 HIS 1 -21.116 3.474 5.600 3 HB3 HIS 1 HB3 HIS 1 -20.925 3.575 3.849 4 HD1 HIS 1 HD1 HIS 1 -22.799 2.250 2.411 5 HD2 HIS 1 HD2 HIS 1 -23.707 2.894 6.430 6 HE1 HIS 1 HE1 HIS 1 -25.291 1.867 2.654 7 H ALA 2 H ALA 2 -19.160 2.827 2.830 8 HA ALA 2 HA ALA 2 -20.024 1.181 0.578 9 HB1 ALA 2 HB1 ALA 2 -19.485 3.592 0.424 10 HB2 ALA 2 HB2 ALA 2 -18.440 2.651 -0.642 11 HB3 ALA 2 HB3 ALA 2 -17.820 3.251 0.897 12 H TRP 3 H TRP 3 -18.584 -0.185 -0.698 13 HA TRP 3 HA TRP 3 -16.675 -1.708 0.944 14 HB2 TRP 3 HB2 TRP 3 -16.977 -3.343 -0.696 15 HB3 TRP 3 HB3 TRP 3 -18.482 -2.446 -0.865 16 HD1 TRP 3 HD1 TRP 3 -18.472 -0.504 -2.850 17 HE1 TRP 3 HE1 TRP 3 -17.338 -0.570 -5.165 18 HE3 TRP 3 HE3 TRP 3 -15.059 -4.223 -2.060 19 HZ2 TRP 3 HZ2 TRP 3 -15.263 -2.010 -6.503 20 HZ3 TRP 3 HZ3 TRP 3 -13.519 -4.921 -3.871 21 HH2 TRP 3 HH2 TRP 3 -13.617 -3.819 -6.090 22 H TYR 4 H TYR 4 -14.663 -2.431 -0.669 23 HA TYR 4 HA TYR 4 -12.619 -1.790 -1.622 24 HB2 TYR 4 HB2 TYR 4 -13.692 -0.979 -3.509 25 HB3 TYR 4 HB3 TYR 4 -14.619 0.210 -2.607 26 HD1 TYR 4 HD1 TYR 4 -11.302 -0.561 -4.067 27 HD2 TYR 4 HD2 TYR 4 -13.760 2.415 -2.180 28 HE1 TYR 4 HE1 TYR 4 -9.653 1.189 -4.671 29 HE2 TYR 4 HE2 TYR 4 -12.114 4.163 -2.787 30 HH TYR 4 HH TYR 4 -10.143 4.161 -4.935 31 H SER 5 H SER 5 -13.957 -0.193 0.990 32 HA SER 5 HA SER 5 -12.247 2.085 1.333 33 HB2 SER 5 HB2 SER 5 -13.801 0.259 3.172 34 HB3 SER 5 HB3 SER 5 -12.872 1.615 3.804 35 HG SER 5 HG SER 5 -14.125 3.005 2.598 36 H HIS 6 H HIS 6 -11.872 -1.340 2.110 37 HA HIS 6 HA HIS 6 -9.247 -0.897 3.402 38 HB2 HIS 6 HB2 HIS 6 -10.897 -2.542 4.270 39 HB3 HIS 6 HB3 HIS 6 -10.817 -3.413 2.738 40 HD1 HIS 6 HD1 HIS 6 -9.413 -5.449 3.038 41 HD2 HIS 6 HD2 HIS 6 -7.865 -2.202 5.150 42 HE1 HIS 6 HE1 HIS 6 -7.255 -6.244 4.097 43 H TYR 7 H TYR 7 -10.587 -1.891 0.322 44 HA TYR 7 HA TYR 7 -8.338 -3.233 -0.805 45 HB2 TYR 7 HB2 TYR 7 -10.652 -1.619 -1.883 46 HB3 TYR 7 HB3 TYR 7 -9.449 -2.304 -2.974 47 HD1 TYR 7 HD1 TYR 7 -12.002 -3.135 -0.403 48 HD2 TYR 7 HD2 TYR 7 -9.372 -4.654 -3.442 49 HE1 TYR 7 HE1 TYR 7 -13.130 -5.335 -0.277 50 HE2 TYR 7 HE2 TYR 7 -10.503 -6.858 -3.314 51 HH TYR 7 HH TYR 7 -13.296 -7.429 -2.279 52 H VAL 8 H VAL 8 -9.259 0.211 -0.885 53 HA VAL 8 HA VAL 8 -6.979 1.123 -2.374 54 HB VAL 8 HB VAL 8 -9.196 2.300 -1.875 55 HG11 VAL 8 HG11 VAL 8 -7.790 3.101 0.684 56 HG12 VAL 8 HG12 VAL 8 -9.036 1.855 0.616 57 HG13 VAL 8 HG13 VAL 8 -9.429 3.519 0.181 58 HG21 VAL 8 HG21 VAL 8 -7.209 3.426 -2.888 59 HG22 VAL 8 HG22 VAL 8 -6.672 3.870 -1.268 60 HG23 VAL 8 HG23 VAL 8 -8.183 4.520 -1.906 61 H LEU 9 H LEU 9 -7.490 0.424 1.034 62 HA LEU 9 HA LEU 9 -5.036 1.680 1.984 63 HB2 LEU 9 HB2 LEU 9 -7.339 0.921 3.130 64 HB3 LEU 9 HB3 LEU 9 -6.413 -0.549 3.431 65 HG LEU 9 HG LEU 9 -4.560 1.065 4.288 66 HD11 LEU 9 HD11 LEU 9 -5.625 3.137 5.318 67 HD12 LEU 9 HD12 LEU 9 -7.026 2.823 4.295 68 HD13 LEU 9 HD13 LEU 9 -5.459 3.169 3.562 69 HD21 LEU 9 HD21 LEU 9 -5.658 1.123 6.542 70 HD22 LEU 9 HD22 LEU 9 -5.769 -0.455 5.761 71 HD23 LEU 9 HD23 LEU 9 -7.167 0.622 5.779 72 H LYS 10 H LYS 10 -6.032 -1.634 1.082 73 HA LYS 10 HA LYS 10 -3.648 -3.001 1.882 74 HB2 LYS 10 HB2 LYS 10 -6.052 -3.720 0.944 75 HB3 LYS 10 HB3 LYS 10 -5.162 -3.799 -0.576 76 HG2 LYS 10 HG2 LYS 10 -3.846 -5.559 0.122 77 HG3 LYS 10 HG3 LYS 10 -3.901 -5.066 1.814 78 HD2 LYS 10 HD2 LYS 10 -6.460 -5.668 1.599 79 HD3 LYS 10 HD3 LYS 10 -5.909 -6.644 0.237 80 HE2 LYS 10 HE2 LYS 10 -4.179 -7.664 1.816 81 HE3 LYS 10 HE3 LYS 10 -5.056 -6.872 3.139 82 HZ1 LYS 10 HZ1 LYS 10 -7.110 -7.917 2.296 83 HZ2 LYS 10 HZ2 LYS 10 -5.961 -9.065 2.798 84 HZ3 LYS 10 HZ3 LYS 10 -6.197 -8.762 1.143 85 H PHE 11 H PHE 11 -4.519 -1.376 -1.179 86 HA PHE 11 HA PHE 11 -2.116 -2.093 -2.613 87 HB2 PHE 11 HB2 PHE 11 -4.291 -1.326 -3.591 88 HB3 PHE 11 HB3 PHE 11 -3.990 0.281 -2.930 89 HD1 PHE 11 HD1 PHE 11 -2.157 1.686 -3.800 90 HD2 PHE 11 HD2 PHE 11 -3.036 -2.161 -5.498 91 HE1 PHE 11 HE1 PHE 11 -0.782 2.248 -5.784 92 HE2 PHE 11 HE2 PHE 11 -1.660 -1.598 -7.483 93 HZ PHE 11 HZ PHE 11 -0.532 0.606 -7.626 94 H PHE 12 H PHE 12 -3.065 0.792 -0.718 95 HA PHE 12 HA PHE 12 -0.707 2.349 -1.161 96 HB2 PHE 12 HB2 PHE 12 -2.954 2.199 0.800 97 HB3 PHE 12 HB3 PHE 12 -1.539 3.131 1.290 98 HD1 PHE 12 HD1 PHE 12 -3.340 2.627 -1.976 99 HD2 PHE 12 HD2 PHE 12 -1.850 5.412 0.938 100 HE1 PHE 12 HE1 PHE 12 -4.088 4.513 -3.398 101 HE2 PHE 12 HE2 PHE 12 -2.600 7.297 -0.486 102 HZ PHE 12 HZ PHE 12 -3.718 6.850 -2.652 103 H LEU 13 H LEU 13 -1.518 0.014 1.435 104 HA LEU 13 HA LEU 13 0.897 0.266 2.943 105 HB2 LEU 13 HB2 LEU 13 -1.376 -0.917 3.415 106 HB3 LEU 13 HB3 LEU 13 -0.660 -2.296 2.580 107 HG LEU 13 HG LEU 13 1.352 -1.957 4.184 108 HD11 LEU 13 HD11 LEU 13 -0.810 -0.290 5.484 109 HD12 LEU 13 HD12 LEU 13 0.861 0.164 5.146 110 HD13 LEU 13 HD13 LEU 13 0.504 -1.007 6.416 111 HD21 LEU 13 HD21 LEU 13 -1.340 -2.889 5.235 112 HD22 LEU 13 HD22 LEU 13 0.224 -3.308 5.932 113 HD23 LEU 13 HD23 LEU 13 -0.197 -3.866 4.313 114 H LEU 14 H LEU 14 0.066 -1.788 0.145 115 HA LEU 14 HA LEU 14 2.440 -3.392 0.108 116 HB2 LEU 14 HB2 LEU 14 0.229 -3.682 -1.140 117 HB3 LEU 14 HB3 LEU 14 0.801 -2.445 -2.259 118 HG LEU 14 HG LEU 14 2.807 -4.523 -1.773 119 HD11 LEU 14 HD11 LEU 14 0.182 -5.303 -3.084 120 HD12 LEU 14 HD12 LEU 14 0.785 -5.928 -1.549 121 HD13 LEU 14 HD13 LEU 14 1.645 -6.287 -3.045 122 HD21 LEU 14 HD21 LEU 14 2.779 -2.765 -3.589 123 HD22 LEU 14 HD22 LEU 14 1.425 -3.625 -4.321 124 HD23 LEU 14 HD23 LEU 14 2.997 -4.411 -4.184 125 H VAL 15 H VAL 15 1.633 -0.347 -1.556 126 HA VAL 15 HA VAL 15 4.191 -0.038 -2.875 127 HB VAL 15 HB VAL 15 1.939 1.863 -2.131 128 HG11 VAL 15 HG11 VAL 15 4.490 2.299 -3.677 129 HG12 VAL 15 HG12 VAL 15 3.744 3.334 -2.459 130 HG13 VAL 15 HG13 VAL 15 3.039 3.221 -4.072 131 HG21 VAL 15 HG21 VAL 15 1.202 0.219 -3.713 132 HG22 VAL 15 HG22 VAL 15 2.701 0.336 -4.634 133 HG23 VAL 15 HG23 VAL 15 1.549 1.672 -4.649 134 H PHE 16 H PHE 16 2.877 1.025 0.253 135 HA PHE 16 HA PHE 16 4.958 2.844 1.000 136 HB2 PHE 16 HB2 PHE 16 2.617 2.314 2.011 137 HB3 PHE 16 HB3 PHE 16 3.453 1.040 2.898 138 HD1 PHE 16 HD1 PHE 16 3.193 4.694 2.375 139 HD2 PHE 16 HD2 PHE 16 5.021 1.557 4.671 140 HE1 PHE 16 HE1 PHE 16 3.990 6.365 4.024 141 HE2 PHE 16 HE2 PHE 16 5.817 3.228 6.321 142 HZ PHE 16 HZ PHE 16 5.303 5.632 5.997 143 H GLY 17 H GLY 17 4.664 -0.697 1.362 144 HA2 GLY 17 HA2 GLY 17 6.962 -1.085 3.024 145 HA3 GLY 17 HA3 GLY 17 6.262 -2.312 1.966 146 H GLU 18 H GLU 18 6.588 -1.154 -0.535 147 HA GLU 18 HA GLU 18 9.332 -1.704 -1.151 148 HB2 GLU 18 HB2 GLU 18 7.203 -1.738 -2.618 149 HB3 GLU 18 HB3 GLU 18 7.433 0.003 -2.778 150 HG2 GLU 18 HG2 GLU 18 8.602 -0.777 -4.636 151 HG3 GLU 18 HG3 GLU 18 9.893 -0.680 -3.438 152 H ASN 19 H ASN 19 7.586 1.324 -0.567 153 HA ASN 19 HA ASN 19 9.771 3.105 -1.214 154 HB2 ASN 19 HB2 ASN 19 7.131 3.213 0.191 155 HB3 ASN 19 HB3 ASN 19 8.253 4.547 0.463 156 HD21 ASN 19 HD21 ASN 19 6.338 2.884 -2.026 157 HD22 ASN 19 HD22 ASN 19 6.494 4.101 -3.198 158 H GLY 20 H GLY 20 8.658 1.526 1.753 159 HA2 GLY 20 HA2 GLY 20 10.473 2.828 3.559 160 HA3 GLY 20 HA3 GLY 20 9.664 1.288 3.860 161 H VAL 21 H VAL 21 10.670 -0.226 1.698 162 HA VAL 21 HA VAL 21 13.224 -1.075 2.702 163 HB VAL 21 HB VAL 21 11.752 -1.512 0.084 164 HG11 VAL 21 HG11 VAL 21 13.280 -3.585 -0.007 165 HG12 VAL 21 HG12 VAL 21 14.297 -2.739 1.159 166 HG13 VAL 21 HG13 VAL 21 14.010 -2.038 -0.433 167 HG21 VAL 21 HG21 VAL 21 11.104 -2.355 2.605 168 HG22 VAL 21 HG22 VAL 21 12.118 -3.689 2.058 169 HG23 VAL 21 HG23 VAL 21 10.685 -3.235 1.135 170 H PHE 22 H PHE 22 12.314 1.199 0.163 171 HA PHE 22 HA PHE 22 14.952 1.465 -1.009 172 HB2 PHE 22 HB2 PHE 22 12.610 2.003 -1.960 173 HB3 PHE 22 HB3 PHE 22 12.724 3.506 -1.044 174 HD1 PHE 22 HD1 PHE 22 14.343 1.477 -3.710 175 HD2 PHE 22 HD2 PHE 22 14.121 5.305 -1.770 176 HE1 PHE 22 HE1 PHE 22 15.744 2.467 -5.500 177 HE2 PHE 22 HE2 PHE 22 15.523 6.293 -3.560 178 HZ PHE 22 HZ PHE 22 16.334 4.875 -5.425 179 H PHE 23 H PHE 23 13.326 2.921 1.727 180 HA PHE 23 HA PHE 23 15.295 5.110 1.986 181 HB2 PHE 23 HB2 PHE 23 12.738 4.213 3.254 182 HB3 PHE 23 HB3 PHE 23 13.806 5.231 4.218 183 HD1 PHE 23 HD1 PHE 23 12.542 5.061 0.677 184 HD2 PHE 23 HD2 PHE 23 13.466 7.526 4.072 185 HE1 PHE 23 HE1 PHE 23 11.757 7.058 -0.561 186 HE2 PHE 23 HE2 PHE 23 12.681 9.525 2.831 187 HZ PHE 23 HZ PHE 23 11.827 9.291 0.516 188 H TYR 24 H TYR 24 16.389 2.415 2.109 189 HA TYR 24 HA TYR 24 17.557 2.488 4.850 190 HB2 TYR 24 HB2 TYR 24 15.685 0.564 3.738 191 HB3 TYR 24 HB3 TYR 24 17.202 -0.229 4.153 192 HD1 TYR 24 HD1 TYR 24 18.185 0.187 6.489 193 HD2 TYR 24 HD2 TYR 24 14.141 1.169 5.422 194 HE1 TYR 24 HE1 TYR 24 17.566 0.246 8.890 195 HE2 TYR 24 HE2 TYR 24 13.522 1.228 7.823 196 HH TYR 24 HH TYR 24 14.862 -0.104 10.100 197 H LYS 25 H LYS 25 18.756 3.389 2.426 198 HA LYS 25 HA LYS 25 20.475 1.232 1.372 199 HB2 LYS 25 HB2 LYS 25 20.125 4.199 0.882 200 HB3 LYS 25 HB3 LYS 25 21.401 3.273 0.092 201 HG2 LYS 25 HG2 LYS 25 18.854 1.890 -0.101 202 HG3 LYS 25 HG3 LYS 25 18.734 3.520 -0.763 203 HD2 LYS 25 HD2 LYS 25 21.090 1.794 -1.480 204 HD3 LYS 25 HD3 LYS 25 19.551 1.561 -2.309 205 HE2 LYS 25 HE2 LYS 25 19.609 3.683 -3.301 206 HE3 LYS 25 HE3 LYS 25 20.684 4.344 -2.053 207 HZ1 LYS 25 HZ1 LYS 25 22.439 2.870 -2.833 208 HZ2 LYS 25 HZ2 LYS 25 21.908 3.877 -4.094 209 HZ3 LYS 25 HZ3 LYS 25 21.418 2.252 -4.039 Start of MODEL 15 1 HA HIS 1 HA HIS 1 -21.870 -6.412 3.197 2 HB2 HIS 1 HB2 HIS 1 -20.327 -4.837 5.242 3 HB3 HIS 1 HB3 HIS 1 -20.554 -4.159 3.631 4 HD1 HIS 1 HD1 HIS 1 -22.185 -4.378 6.841 5 HD2 HIS 1 HD2 HIS 1 -23.497 -4.212 2.886 6 HE1 HIS 1 HE1 HIS 1 -24.624 -3.699 6.923 7 H ALA 2 H ALA 2 -20.506 -5.406 1.403 8 HA ALA 2 HA ALA 2 -18.271 -7.152 0.740 9 HB1 ALA 2 HB1 ALA 2 -19.352 -4.622 -0.548 10 HB2 ALA 2 HB2 ALA 2 -19.903 -6.262 -0.893 11 HB3 ALA 2 HB3 ALA 2 -18.262 -5.775 -1.319 12 H TRP 3 H TRP 3 -16.060 -6.635 0.733 13 HA TRP 3 HA TRP 3 -15.263 -4.278 2.354 14 HB2 TRP 3 HB2 TRP 3 -13.952 -6.816 1.367 15 HB3 TRP 3 HB3 TRP 3 -12.992 -5.519 2.078 16 HD1 TRP 3 HD1 TRP 3 -13.343 -4.976 4.651 17 HE1 TRP 3 HE1 TRP 3 -14.386 -6.335 6.578 18 HE3 TRP 3 HE3 TRP 3 -15.823 -8.547 1.971 19 HZ2 TRP 3 HZ2 TRP 3 -16.052 -8.633 6.935 20 HZ3 TRP 3 HZ3 TRP 3 -17.129 -10.306 3.127 21 HH2 TRP 3 HH2 TRP 3 -17.246 -10.354 5.604 22 H TYR 4 H TYR 4 -15.853 -2.763 0.557 23 HA TYR 4 HA TYR 4 -14.047 -2.811 -1.801 24 HB2 TYR 4 HB2 TYR 4 -15.604 -1.259 -2.741 25 HB3 TYR 4 HB3 TYR 4 -16.579 -2.432 -1.864 26 HD1 TYR 4 HD1 TYR 4 -17.674 -1.834 0.260 27 HD2 TYR 4 HD2 TYR 4 -15.351 1.031 -1.943 28 HE1 TYR 4 HE1 TYR 4 -18.652 -0.002 1.611 29 HE2 TYR 4 HE2 TYR 4 -16.332 2.864 -0.591 30 HH TYR 4 HH TYR 4 -18.856 2.919 0.872 31 H SER 5 H SER 5 -14.090 -1.459 1.313 32 HA SER 5 HA SER 5 -12.379 0.854 0.479 33 HB2 SER 5 HB2 SER 5 -14.159 0.235 2.834 34 HB3 SER 5 HB3 SER 5 -12.938 1.501 2.941 35 HG SER 5 HG SER 5 -15.051 2.196 2.201 36 H HIS 6 H HIS 6 -11.738 -2.193 1.069 37 HA HIS 6 HA HIS 6 -9.666 -1.747 3.179 38 HB2 HIS 6 HB2 HIS 6 -11.326 -4.035 2.208 39 HB3 HIS 6 HB3 HIS 6 -9.725 -4.412 2.842 40 HD1 HIS 6 HD1 HIS 6 -12.450 -1.978 3.994 41 HD2 HIS 6 HD2 HIS 6 -10.032 -5.018 5.509 42 HE1 HIS 6 HE1 HIS 6 -12.983 -2.154 6.462 43 H TYR 7 H TYR 7 -10.161 -3.097 -0.071 44 HA TYR 7 HA TYR 7 -7.465 -3.876 -0.600 45 HB2 TYR 7 HB2 TYR 7 -9.737 -2.922 -2.370 46 HB3 TYR 7 HB3 TYR 7 -8.246 -3.615 -3.005 47 HD1 TYR 7 HD1 TYR 7 -7.534 -5.934 -1.925 48 HD2 TYR 7 HD2 TYR 7 -11.527 -4.347 -1.906 49 HE1 TYR 7 HE1 TYR 7 -8.441 -8.214 -1.558 50 HE2 TYR 7 HE2 TYR 7 -12.431 -6.625 -1.539 51 HH TYR 7 HH TYR 7 -11.031 -9.282 -2.170 52 H VAL 8 H VAL 8 -9.163 -0.795 -1.075 53 HA VAL 8 HA VAL 8 -7.061 0.621 -2.398 54 HB VAL 8 HB VAL 8 -9.465 1.298 -2.213 55 HG11 VAL 8 HG11 VAL 8 -10.356 2.214 -0.192 56 HG12 VAL 8 HG12 VAL 8 -8.774 2.216 0.588 57 HG13 VAL 8 HG13 VAL 8 -9.596 0.690 0.264 58 HG21 VAL 8 HG21 VAL 8 -7.753 2.961 -2.831 59 HG22 VAL 8 HG22 VAL 8 -7.483 3.324 -1.127 60 HG23 VAL 8 HG23 VAL 8 -9.033 3.708 -1.876 61 H LEU 9 H LEU 9 -7.688 -0.044 1.014 62 HA LEU 9 HA LEU 9 -5.657 1.771 2.051 63 HB2 LEU 9 HB2 LEU 9 -7.784 0.693 3.143 64 HB3 LEU 9 HB3 LEU 9 -6.725 -0.685 3.442 65 HG LEU 9 HG LEU 9 -5.638 1.987 4.168 66 HD11 LEU 9 HD11 LEU 9 -7.888 2.275 5.001 67 HD12 LEU 9 HD12 LEU 9 -6.857 1.872 6.374 68 HD13 LEU 9 HD13 LEU 9 -7.904 0.641 5.666 69 HD21 LEU 9 HD21 LEU 9 -4.621 -0.396 4.489 70 HD22 LEU 9 HD22 LEU 9 -5.741 -0.515 5.846 71 HD23 LEU 9 HD23 LEU 9 -4.513 0.750 5.826 72 H LYS 10 H LYS 10 -5.794 -1.715 1.260 73 HA LYS 10 HA LYS 10 -3.171 -2.384 2.263 74 HB2 LYS 10 HB2 LYS 10 -5.191 -3.866 1.607 75 HB3 LYS 10 HB3 LYS 10 -4.609 -3.702 -0.050 76 HG2 LYS 10 HG2 LYS 10 -3.426 -5.586 0.532 77 HG3 LYS 10 HG3 LYS 10 -2.290 -4.376 1.128 78 HD2 LYS 10 HD2 LYS 10 -3.094 -4.592 3.374 79 HD3 LYS 10 HD3 LYS 10 -4.487 -5.539 2.853 80 HE2 LYS 10 HE2 LYS 10 -3.140 -7.305 3.484 81 HE3 LYS 10 HE3 LYS 10 -2.468 -7.079 1.857 82 HZ1 LYS 10 HZ1 LYS 10 -0.704 -7.021 3.505 83 HZ2 LYS 10 HZ2 LYS 10 -1.490 -5.772 4.346 84 HZ3 LYS 10 HZ3 LYS 10 -0.874 -5.494 2.787 85 H PHE 11 H PHE 11 -4.360 -1.327 -0.935 86 HA PHE 11 HA PHE 11 -1.935 -1.645 -2.413 87 HB2 PHE 11 HB2 PHE 11 -4.181 -1.233 -3.366 88 HB3 PHE 11 HB3 PHE 11 -4.187 0.383 -2.660 89 HD1 PHE 11 HD1 PHE 11 -2.211 -1.809 -4.971 90 HD2 PHE 11 HD2 PHE 11 -3.298 2.196 -3.859 91 HE1 PHE 11 HE1 PHE 11 -1.011 -0.930 -6.957 92 HE2 PHE 11 HE2 PHE 11 -2.099 3.073 -5.843 93 HZ PHE 11 HZ PHE 11 -0.956 1.510 -7.392 94 H PHE 12 H PHE 12 -3.213 1.190 -0.617 95 HA PHE 12 HA PHE 12 -1.029 2.966 -1.163 96 HB2 PHE 12 HB2 PHE 12 -3.393 2.787 0.534 97 HB3 PHE 12 HB3 PHE 12 -2.056 3.548 1.395 98 HD1 PHE 12 HD1 PHE 12 -0.868 5.518 0.342 99 HD2 PHE 12 HD2 PHE 12 -4.544 3.930 -1.215 100 HE1 PHE 12 HE1 PHE 12 -1.237 7.616 -0.929 101 HE2 PHE 12 HE2 PHE 12 -4.912 6.027 -2.485 102 HZ PHE 12 HZ PHE 12 -3.259 7.870 -2.342 103 H LEU 13 H LEU 13 -1.591 0.613 1.458 104 HA LEU 13 HA LEU 13 0.826 1.207 2.939 105 HB2 LEU 13 HB2 LEU 13 -1.500 -0.299 3.239 106 HB3 LEU 13 HB3 LEU 13 -0.241 -1.526 3.120 107 HG LEU 13 HG LEU 13 -0.570 -0.873 5.463 108 HD11 LEU 13 HD11 LEU 13 1.710 -0.504 6.026 109 HD12 LEU 13 HD12 LEU 13 2.017 0.379 4.530 110 HD13 LEU 13 HD13 LEU 13 1.751 -1.363 4.486 111 HD21 LEU 13 HD21 LEU 13 -0.302 1.373 6.233 112 HD22 LEU 13 HD22 LEU 13 -1.367 1.475 4.832 113 HD23 LEU 13 HD23 LEU 13 0.335 1.906 4.678 114 H LEU 14 H LEU 14 0.021 -1.012 0.289 115 HA LEU 14 HA LEU 14 2.438 -2.577 0.357 116 HB2 LEU 14 HB2 LEU 14 0.012 -2.516 -1.025 117 HB3 LEU 14 HB3 LEU 14 1.209 -2.186 -2.274 118 HG LEU 14 HG LEU 14 0.860 -4.595 -2.104 119 HD11 LEU 14 HD11 LEU 14 3.206 -3.583 -2.420 120 HD12 LEU 14 HD12 LEU 14 3.129 -5.272 -1.925 121 HD13 LEU 14 HD13 LEU 14 3.493 -4.022 -0.736 122 HD21 LEU 14 HD21 LEU 14 1.048 -5.816 -0.089 123 HD22 LEU 14 HD22 LEU 14 0.159 -4.368 0.386 124 HD23 LEU 14 HD23 LEU 14 1.883 -4.499 0.735 125 H VAL 15 H VAL 15 1.509 0.361 -1.419 126 HA VAL 15 HA VAL 15 3.887 0.604 -3.012 127 HB VAL 15 HB VAL 15 1.826 2.566 -1.954 128 HG11 VAL 15 HG11 VAL 15 2.763 3.984 -3.934 129 HG12 VAL 15 HG12 VAL 15 4.216 3.003 -3.739 130 HG13 VAL 15 HG13 VAL 15 3.638 3.998 -2.404 131 HG21 VAL 15 HG21 VAL 15 2.284 1.496 -4.754 132 HG22 VAL 15 HG22 VAL 15 0.889 2.402 -4.170 133 HG23 VAL 15 HG23 VAL 15 1.170 0.755 -3.607 134 H PHE 16 H PHE 16 3.000 2.093 0.131 135 HA PHE 16 HA PHE 16 5.514 3.450 0.529 136 HB2 PHE 16 HB2 PHE 16 3.167 3.737 1.621 137 HB3 PHE 16 HB3 PHE 16 3.677 2.442 2.706 138 HD1 PHE 16 HD1 PHE 16 4.686 5.798 1.404 139 HD2 PHE 16 HD2 PHE 16 5.096 2.892 4.540 140 HE1 PHE 16 HE1 PHE 16 5.977 7.433 2.749 141 HE2 PHE 16 HE2 PHE 16 6.386 4.527 5.886 142 HZ PHE 16 HZ PHE 16 6.827 6.797 4.991 143 H GLY 17 H GLY 17 4.296 0.235 1.479 144 HA2 GLY 17 HA2 GLY 17 6.474 -0.514 3.173 145 HA3 GLY 17 HA3 GLY 17 5.414 -1.645 2.330 146 H GLU 18 H GLU 18 5.955 -0.974 -0.339 147 HA GLU 18 HA GLU 18 8.329 -2.442 -0.903 148 HB2 GLU 18 HB2 GLU 18 6.203 -1.665 -2.309 149 HB3 GLU 18 HB3 GLU 18 7.283 -0.354 -2.785 150 HG2 GLU 18 HG2 GLU 18 8.539 -1.715 -4.092 151 HG3 GLU 18 HG3 GLU 18 8.555 -3.002 -2.885 152 H ASN 19 H ASN 19 7.768 1.048 -0.639 153 HA ASN 19 HA ASN 19 10.356 1.937 -1.501 154 HB2 ASN 19 HB2 ASN 19 8.035 2.994 0.056 155 HB3 ASN 19 HB3 ASN 19 9.555 3.882 0.173 156 HD21 ASN 19 HD21 ASN 19 7.002 2.866 -2.083 157 HD22 ASN 19 HD22 ASN 19 7.465 3.909 -3.339 158 H GLY 20 H GLY 20 9.095 0.899 1.635 159 HA2 GLY 20 HA2 GLY 20 11.548 1.583 3.077 160 HA3 GLY 20 HA3 GLY 20 10.169 0.703 3.736 161 H VAL 21 H VAL 21 10.082 -1.352 1.690 162 HA VAL 21 HA VAL 21 11.853 -3.291 2.782 163 HB VAL 21 HB VAL 21 10.271 -3.057 0.217 164 HG11 VAL 21 HG11 VAL 21 10.651 -5.643 0.194 165 HG12 VAL 21 HG12 VAL 21 12.088 -5.275 1.147 166 HG13 VAL 21 HG13 VAL 21 11.906 -4.599 -0.473 167 HG21 VAL 21 HG21 VAL 21 9.833 -5.034 2.437 168 HG22 VAL 21 HG22 VAL 21 8.656 -4.317 1.337 169 HG23 VAL 21 HG23 VAL 21 9.322 -3.362 2.661 170 H PHE 22 H PHE 22 12.400 -0.928 0.254 171 HA PHE 22 HA PHE 22 14.967 -2.267 -0.498 172 HB2 PHE 22 HB2 PHE 22 13.242 -0.116 -1.760 173 HB3 PHE 22 HB3 PHE 22 14.823 -0.569 -2.393 174 HD1 PHE 22 HD1 PHE 22 14.887 -3.481 -2.025 175 HD2 PHE 22 HD2 PHE 22 11.655 -0.943 -3.279 176 HE1 PHE 22 HE1 PHE 22 13.855 -5.388 -3.227 177 HE2 PHE 22 HE2 PHE 22 10.624 -2.852 -4.480 178 HZ PHE 22 HZ PHE 22 11.724 -5.074 -4.454 179 H PHE 23 H PHE 23 14.492 -0.656 2.038 180 HA PHE 23 HA PHE 23 16.911 1.002 1.856 181 HB2 PHE 23 HB2 PHE 23 14.446 2.112 1.167 182 HB3 PHE 23 HB3 PHE 23 14.680 2.627 2.837 183 HD1 PHE 23 HD1 PHE 23 16.643 3.981 3.480 184 HD2 PHE 23 HD2 PHE 23 15.920 2.870 -0.606 185 HE1 PHE 23 HE1 PHE 23 18.282 5.683 2.726 186 HE2 PHE 23 HE2 PHE 23 17.559 4.571 -1.360 187 HZ PHE 23 HZ PHE 23 18.739 5.978 0.307 188 H TYR 24 H TYR 24 15.911 -1.279 3.524 189 HA TYR 24 HA TYR 24 16.158 0.046 6.199 190 HB2 TYR 24 HB2 TYR 24 14.344 -1.198 7.026 191 HB3 TYR 24 HB3 TYR 24 13.820 -0.773 5.401 192 HD1 TYR 24 HD1 TYR 24 14.231 -2.491 3.517 193 HD2 TYR 24 HD2 TYR 24 14.500 -3.454 7.694 194 HE1 TYR 24 HE1 TYR 24 13.975 -4.897 2.979 195 HE2 TYR 24 HE2 TYR 24 14.241 -5.860 7.155 196 HH TYR 24 HH TYR 24 14.456 -7.063 3.941 197 H LYS 25 H LYS 25 17.390 -2.341 4.092 198 HA LYS 25 HA LYS 25 19.062 -3.442 6.292 199 HB2 LYS 25 HB2 LYS 25 16.829 -4.743 5.508 200 HB3 LYS 25 HB3 LYS 25 17.958 -5.371 4.307 201 HG2 LYS 25 HG2 LYS 25 18.347 -6.894 5.992 202 HG3 LYS 25 HG3 LYS 25 19.507 -5.655 6.469 203 HD2 LYS 25 HD2 LYS 25 18.440 -5.687 8.471 204 HD3 LYS 25 HD3 LYS 25 17.185 -4.756 7.650 205 HE2 LYS 25 HE2 LYS 25 15.966 -6.559 8.569 206 HE3 LYS 25 HE3 LYS 25 16.291 -7.128 6.919 207 HZ1 LYS 25 HZ1 LYS 25 18.393 -8.106 7.813 208 HZ2 LYS 25 HZ2 LYS 25 16.978 -8.843 8.397 209 HZ3 LYS 25 HZ3 LYS 25 17.837 -7.754 9.377 Start of MODEL 16 1 HA HIS 1 HA HIS 1 -20.171 0.403 6.858 2 HB2 HIS 1 HB2 HIS 1 -22.277 -1.398 5.644 3 HB3 HIS 1 HB3 HIS 1 -20.731 -2.039 6.199 4 HD1 HIS 1 HD1 HIS 1 -24.052 -1.251 7.392 5 HD2 HIS 1 HD2 HIS 1 -20.240 -1.263 9.081 6 HE1 HIS 1 HE1 HIS 1 -24.381 -1.262 9.903 7 H ALA 2 H ALA 2 -18.253 -0.177 5.784 8 HA ALA 2 HA ALA 2 -18.337 -0.096 2.781 9 HB1 ALA 2 HB1 ALA 2 -15.970 0.612 4.512 10 HB2 ALA 2 HB2 ALA 2 -17.259 1.782 4.230 11 HB3 ALA 2 HB3 ALA 2 -16.332 1.148 2.872 12 H TRP 3 H TRP 3 -17.587 -1.922 1.775 13 HA TRP 3 HA TRP 3 -16.137 -3.965 3.423 14 HB2 TRP 3 HB2 TRP 3 -18.375 -4.504 2.433 15 HB3 TRP 3 HB3 TRP 3 -17.697 -4.226 0.829 16 HD1 TRP 3 HD1 TRP 3 -17.644 -6.683 3.731 17 HE1 TRP 3 HE1 TRP 3 -16.479 -8.854 2.971 18 HE3 TRP 3 HE3 TRP 3 -15.908 -5.198 -0.834 19 HZ2 TRP 3 HZ2 TRP 3 -15.003 -9.831 0.720 20 HZ3 TRP 3 HZ3 TRP 3 -14.627 -6.765 -2.265 21 HH2 TRP 3 HH2 TRP 3 -14.174 -9.078 -1.494 22 H TYR 4 H TYR 4 -16.222 -2.582 0.114 23 HA TYR 4 HA TYR 4 -13.612 -3.711 -0.577 24 HB2 TYR 4 HB2 TYR 4 -14.058 -2.721 -2.721 25 HB3 TYR 4 HB3 TYR 4 -15.607 -3.299 -2.111 26 HD1 TYR 4 HD1 TYR 4 -13.549 -0.328 -2.826 27 HD2 TYR 4 HD2 TYR 4 -17.331 -1.727 -1.343 28 HE1 TYR 4 HE1 TYR 4 -14.470 1.965 -3.009 29 HE2 TYR 4 HE2 TYR 4 -18.250 0.567 -1.527 30 HH TYR 4 HH TYR 4 -16.451 3.254 -1.769 31 H SER 5 H SER 5 -14.442 -1.112 1.350 32 HA SER 5 HA SER 5 -12.651 0.953 0.456 33 HB2 SER 5 HB2 SER 5 -14.612 1.174 2.000 34 HB3 SER 5 HB3 SER 5 -13.691 0.320 3.234 35 HG SER 5 HG SER 5 -13.065 2.292 3.684 36 H HIS 6 H HIS 6 -11.997 -2.077 1.957 37 HA HIS 6 HA HIS 6 -9.538 -1.184 3.310 38 HB2 HIS 6 HB2 HIS 6 -11.195 -3.047 4.006 39 HB3 HIS 6 HB3 HIS 6 -10.417 -4.020 2.755 40 HD1 HIS 6 HD1 HIS 6 -9.360 -1.899 5.753 41 HD2 HIS 6 HD2 HIS 6 -8.151 -5.305 3.672 42 HE1 HIS 6 HE1 HIS 6 -7.360 -2.828 6.998 43 H TYR 7 H TYR 7 -10.452 -2.640 0.245 44 HA TYR 7 HA TYR 7 -7.958 -3.739 -0.566 45 HB2 TYR 7 HB2 TYR 7 -10.340 -2.529 -1.966 46 HB3 TYR 7 HB3 TYR 7 -8.952 -3.089 -2.899 47 HD1 TYR 7 HD1 TYR 7 -8.290 -5.475 -2.873 48 HD2 TYR 7 HD2 TYR 7 -11.806 -4.086 -0.834 49 HE1 TYR 7 HE1 TYR 7 -9.109 -7.809 -2.695 50 HE2 TYR 7 HE2 TYR 7 -12.625 -6.418 -0.657 51 HH TYR 7 HH TYR 7 -11.354 -8.817 -0.642 52 H VAL 8 H VAL 8 -9.258 -0.456 -1.094 53 HA VAL 8 HA VAL 8 -6.971 0.608 -2.438 54 HB VAL 8 HB VAL 8 -9.301 1.578 -2.273 55 HG11 VAL 8 HG11 VAL 8 -9.972 2.798 -0.328 56 HG12 VAL 8 HG12 VAL 8 -8.376 2.637 0.407 57 HG13 VAL 8 HG13 VAL 8 -9.419 1.224 0.245 58 HG21 VAL 8 HG21 VAL 8 -7.099 3.468 -1.390 59 HG22 VAL 8 HG22 VAL 8 -8.556 3.893 -2.288 60 HG23 VAL 8 HG23 VAL 8 -7.312 2.898 -3.044 61 H LEU 9 H LEU 9 -7.690 0.134 0.975 62 HA LEU 9 HA LEU 9 -5.543 1.751 2.050 63 HB2 LEU 9 HB2 LEU 9 -7.722 0.723 3.102 64 HB3 LEU 9 HB3 LEU 9 -6.713 -0.700 3.364 65 HG LEU 9 HG LEU 9 -5.484 1.873 4.164 66 HD11 LEU 9 HD11 LEU 9 -7.847 0.696 5.660 67 HD12 LEU 9 HD12 LEU 9 -7.789 2.281 4.889 68 HD13 LEU 9 HD13 LEU 9 -6.772 1.945 6.290 69 HD21 LEU 9 HD21 LEU 9 -4.526 0.537 5.852 70 HD22 LEU 9 HD22 LEU 9 -4.681 -0.586 4.502 71 HD23 LEU 9 HD23 LEU 9 -5.855 -0.622 5.817 72 H LYS 10 H LYS 10 -5.861 -1.724 1.225 73 HA LYS 10 HA LYS 10 -3.250 -2.521 2.155 74 HB2 LYS 10 HB2 LYS 10 -5.409 -3.851 1.437 75 HB3 LYS 10 HB3 LYS 10 -4.690 -3.784 -0.173 76 HG2 LYS 10 HG2 LYS 10 -2.954 -5.180 0.391 77 HG3 LYS 10 HG3 LYS 10 -2.893 -4.604 2.057 78 HD2 LYS 10 HD2 LYS 10 -5.250 -5.778 2.235 79 HD3 LYS 10 HD3 LYS 10 -4.675 -6.690 0.839 80 HE2 LYS 10 HE2 LYS 10 -3.772 -8.047 2.471 81 HE3 LYS 10 HE3 LYS 10 -2.475 -6.837 2.449 82 HZ1 LYS 10 HZ1 LYS 10 -4.886 -6.804 4.194 83 HZ2 LYS 10 HZ2 LYS 10 -3.727 -5.562 4.119 84 HZ3 LYS 10 HZ3 LYS 10 -3.292 -7.101 4.694 85 H PHE 11 H PHE 11 -4.461 -1.353 -0.990 86 HA PHE 11 HA PHE 11 -2.113 -1.746 -2.557 87 HB2 PHE 11 HB2 PHE 11 -4.293 -1.180 -3.489 88 HB3 PHE 11 HB3 PHE 11 -4.314 0.348 -2.609 89 HD1 PHE 11 HD1 PHE 11 -2.372 -1.553 -5.184 90 HD2 PHE 11 HD2 PHE 11 -3.403 2.294 -3.573 91 HE1 PHE 11 HE1 PHE 11 -1.196 -0.448 -7.067 92 HE2 PHE 11 HE2 PHE 11 -2.227 3.398 -5.455 93 HZ PHE 11 HZ PHE 11 -1.122 2.027 -7.202 94 H PHE 12 H PHE 12 -3.124 1.037 -0.544 95 HA PHE 12 HA PHE 12 -0.901 2.750 -1.130 96 HB2 PHE 12 HB2 PHE 12 -3.120 2.519 0.791 97 HB3 PHE 12 HB3 PHE 12 -1.703 3.323 1.465 98 HD1 PHE 12 HD1 PHE 12 -4.232 3.425 -1.241 99 HD2 PHE 12 HD2 PHE 12 -0.972 5.477 0.662 100 HE1 PHE 12 HE1 PHE 12 -4.803 5.491 -2.489 101 HE2 PHE 12 HE2 PHE 12 -1.544 7.543 -0.586 102 HZ PHE 12 HZ PHE 12 -3.460 7.548 -2.162 103 H LEU 13 H LEU 13 -1.421 0.371 1.496 104 HA LEU 13 HA LEU 13 1.096 0.778 2.827 105 HB2 LEU 13 HB2 LEU 13 -0.968 -0.352 3.716 106 HB3 LEU 13 HB3 LEU 13 -0.633 -1.712 2.644 107 HG LEU 13 HG LEU 13 1.650 -1.880 3.747 108 HD11 LEU 13 HD11 LEU 13 1.718 -0.846 6.068 109 HD12 LEU 13 HD12 LEU 13 0.325 0.124 5.592 110 HD13 LEU 13 HD13 LEU 13 1.857 0.301 4.736 111 HD21 LEU 13 HD21 LEU 13 -0.688 -2.204 5.648 112 HD22 LEU 13 HD22 LEU 13 0.803 -3.145 5.616 113 HD23 LEU 13 HD23 LEU 13 -0.370 -3.306 4.308 114 H LEU 14 H LEU 14 0.099 -1.309 0.127 115 HA LEU 14 HA LEU 14 2.462 -2.930 -0.033 116 HB2 LEU 14 HB2 LEU 14 0.217 -3.309 -1.117 117 HB3 LEU 14 HB3 LEU 14 0.596 -2.004 -2.239 118 HG LEU 14 HG LEU 14 2.819 -3.823 -2.159 119 HD11 LEU 14 HD11 LEU 14 1.768 -5.863 -2.956 120 HD12 LEU 14 HD12 LEU 14 0.171 -5.120 -2.868 121 HD13 LEU 14 HD13 LEU 14 1.073 -5.452 -1.389 122 HD21 LEU 14 HD21 LEU 14 0.784 -3.423 -4.367 123 HD22 LEU 14 HD22 LEU 14 2.490 -3.836 -4.535 124 HD23 LEU 14 HD23 LEU 14 2.022 -2.227 -3.986 125 H VAL 15 H VAL 15 1.573 0.156 -1.551 126 HA VAL 15 HA VAL 15 3.992 0.428 -3.127 127 HB VAL 15 HB VAL 15 1.823 2.321 -2.161 128 HG11 VAL 15 HG11 VAL 15 2.804 3.741 -4.138 129 HG12 VAL 15 HG12 VAL 15 4.284 2.835 -3.815 130 HG13 VAL 15 HG13 VAL 15 3.566 3.833 -2.550 131 HG21 VAL 15 HG21 VAL 15 0.970 2.114 -4.403 132 HG22 VAL 15 HG22 VAL 15 1.302 0.477 -3.833 133 HG23 VAL 15 HG23 VAL 15 2.422 1.271 -4.940 134 H PHE 16 H PHE 16 2.911 1.865 -0.020 135 HA PHE 16 HA PHE 16 5.343 3.327 0.490 136 HB2 PHE 16 HB2 PHE 16 2.856 3.286 1.525 137 HB3 PHE 16 HB3 PHE 16 3.663 2.275 2.724 138 HD1 PHE 16 HD1 PHE 16 5.896 3.175 3.714 139 HD2 PHE 16 HD2 PHE 16 3.036 5.626 1.648 140 HE1 PHE 16 HE1 PHE 16 6.872 5.198 4.762 141 HE2 PHE 16 HE2 PHE 16 4.014 7.650 2.696 142 HZ PHE 16 HZ PHE 16 5.932 7.435 4.253 143 H GLY 17 H GLY 17 4.287 0.020 1.267 144 HA2 GLY 17 HA2 GLY 17 6.370 -0.654 3.099 145 HA3 GLY 17 HA3 GLY 17 5.480 -1.814 2.113 146 H GLU 18 H GLU 18 6.192 -0.955 -0.465 147 HA GLU 18 HA GLU 18 8.743 -2.186 -0.846 148 HB2 GLU 18 HB2 GLU 18 6.605 -1.081 -2.386 149 HB3 GLU 18 HB3 GLU 18 8.104 -0.371 -2.981 150 HG2 GLU 18 HG2 GLU 18 7.971 -3.330 -2.470 151 HG3 GLU 18 HG3 GLU 18 7.290 -2.672 -3.957 152 H ASN 19 H ASN 19 7.794 1.217 -0.544 153 HA ASN 19 HA ASN 19 10.316 2.415 -1.180 154 HB2 ASN 19 HB2 ASN 19 7.828 3.135 0.321 155 HB3 ASN 19 HB3 ASN 19 9.241 4.167 0.543 156 HD21 ASN 19 HD21 ASN 19 6.744 3.213 -1.729 157 HD22 ASN 19 HD22 ASN 19 7.196 4.282 -2.967 158 H GLY 20 H GLY 20 8.989 1.087 1.815 159 HA2 GLY 20 HA2 GLY 20 11.244 1.909 3.469 160 HA3 GLY 20 HA3 GLY 20 9.965 0.788 3.945 161 H VAL 21 H VAL 21 10.201 -1.127 1.890 162 HA VAL 21 HA VAL 21 12.292 -2.818 2.844 163 HB VAL 21 HB VAL 21 10.677 -2.738 0.278 164 HG11 VAL 21 HG11 VAL 21 12.520 -4.897 1.345 165 HG12 VAL 21 HG12 VAL 21 12.664 -4.043 -0.192 166 HG13 VAL 21 HG13 VAL 21 11.328 -5.163 0.072 167 HG21 VAL 21 HG21 VAL 21 9.703 -3.129 2.705 168 HG22 VAL 21 HG22 VAL 21 10.383 -4.742 2.495 169 HG23 VAL 21 HG23 VAL 21 9.168 -4.143 1.366 170 H PHE 22 H PHE 22 12.194 -0.527 0.156 171 HA PHE 22 HA PHE 22 14.619 -1.236 -1.164 172 HB2 PHE 22 HB2 PHE 22 12.685 0.361 -1.803 173 HB3 PHE 22 HB3 PHE 22 13.545 1.569 -0.851 174 HD1 PHE 22 HD1 PHE 22 15.762 2.381 -1.540 175 HD2 PHE 22 HD2 PHE 22 13.588 -0.471 -3.904 176 HE1 PHE 22 HE1 PHE 22 17.279 2.813 -3.455 177 HE2 PHE 22 HE2 PHE 22 15.104 -0.040 -5.819 178 HZ PHE 22 HZ PHE 22 16.949 1.603 -5.595 179 H PHE 23 H PHE 23 14.021 0.764 1.690 180 HA PHE 23 HA PHE 23 16.898 1.514 1.855 181 HB2 PHE 23 HB2 PHE 23 14.509 2.810 2.370 182 HB3 PHE 23 HB3 PHE 23 15.047 2.352 3.986 183 HD1 PHE 23 HD1 PHE 23 15.995 4.186 0.899 184 HD2 PHE 23 HD2 PHE 23 16.973 3.366 5.001 185 HE1 PHE 23 HE1 PHE 23 17.655 6.028 0.872 186 HE2 PHE 23 HE2 PHE 23 18.632 5.208 4.974 187 HZ PHE 23 HZ PHE 23 18.973 6.539 2.909 188 H TYR 24 H TYR 24 15.703 -1.295 2.439 189 HA TYR 24 HA TYR 24 16.868 -1.574 5.191 190 HB2 TYR 24 HB2 TYR 24 14.256 -2.267 4.051 191 HB3 TYR 24 HB3 TYR 24 15.031 -3.641 4.837 192 HD1 TYR 24 HD1 TYR 24 13.898 -0.136 5.334 193 HD2 TYR 24 HD2 TYR 24 15.290 -3.738 7.213 194 HE1 TYR 24 HE1 TYR 24 13.296 0.790 7.553 195 HE2 TYR 24 HE2 TYR 24 14.689 -2.812 9.433 196 HH TYR 24 HH TYR 24 14.316 0.166 10.142 197 H LYS 25 H LYS 25 18.298 -1.880 2.665 198 HA LYS 25 HA LYS 25 19.004 -4.781 2.868 199 HB2 LYS 25 HB2 LYS 25 18.038 -3.180 0.538 200 HB3 LYS 25 HB3 LYS 25 19.311 -4.360 0.225 201 HG2 LYS 25 HG2 LYS 25 16.925 -5.187 1.848 202 HG3 LYS 25 HG3 LYS 25 16.778 -5.091 0.094 203 HD2 LYS 25 HD2 LYS 25 18.934 -6.500 0.011 204 HD3 LYS 25 HD3 LYS 25 18.639 -6.829 1.717 205 HE2 LYS 25 HE2 LYS 25 16.255 -7.196 0.010 206 HE3 LYS 25 HE3 LYS 25 17.582 -8.321 -0.340 207 HZ1 LYS 25 HZ1 LYS 25 16.530 -7.728 2.380 208 HZ2 LYS 25 HZ2 LYS 25 17.747 -8.850 1.994 209 HZ3 LYS 25 HZ3 LYS 25 16.150 -9.115 1.480 Start of MODEL 17 1 HA HIS 1 HA HIS 1 -19.566 -2.013 5.005 2 HB2 HIS 1 HB2 HIS 1 -18.788 -1.316 7.820 3 HB3 HIS 1 HB3 HIS 1 -18.980 -0.008 6.653 4 HD1 HIS 1 HD1 HIS 1 -21.376 -0.042 5.321 5 HD2 HIS 1 HD2 HIS 1 -21.187 -2.224 8.869 6 HE1 HIS 1 HE1 HIS 1 -23.769 -0.467 6.030 7 H ALA 2 H ALA 2 -18.403 -0.039 4.134 8 HA ALA 2 HA ALA 2 -16.542 0.968 3.100 9 HB1 ALA 2 HB1 ALA 2 -14.707 1.299 4.517 10 HB2 ALA 2 HB2 ALA 2 -14.810 -0.327 5.191 11 HB3 ALA 2 HB3 ALA 2 -15.982 0.901 5.668 12 H TRP 3 H TRP 3 -16.396 -0.191 1.165 13 HA TRP 3 HA TRP 3 -14.945 -2.798 1.153 14 HB2 TRP 3 HB2 TRP 3 -16.728 -1.276 -0.755 15 HB3 TRP 3 HB3 TRP 3 -15.789 -2.665 -1.302 16 HD1 TRP 3 HD1 TRP 3 -18.742 -1.702 0.881 17 HE1 TRP 3 HE1 TRP 3 -19.998 -3.839 1.591 18 HE3 TRP 3 HE3 TRP 3 -15.481 -5.248 -0.814 19 HZ2 TRP 3 HZ2 TRP 3 -19.663 -6.678 1.458 20 HZ3 TRP 3 HZ3 TRP 3 -15.974 -7.658 -0.511 21 HH2 TRP 3 HH2 TRP 3 -18.059 -8.376 0.623 22 H TYR 4 H TYR 4 -14.979 0.163 -0.882 23 HA TYR 4 HA TYR 4 -12.421 -0.277 -2.079 24 HB2 TYR 4 HB2 TYR 4 -12.714 1.965 -2.911 25 HB3 TYR 4 HB3 TYR 4 -14.319 1.249 -2.816 26 HD1 TYR 4 HD1 TYR 4 -11.992 3.680 -1.301 27 HD2 TYR 4 HD2 TYR 4 -15.941 1.994 -1.147 28 HE1 TYR 4 HE1 TYR 4 -12.719 5.516 0.198 29 HE2 TYR 4 HE2 TYR 4 -16.666 3.830 0.353 30 HH TYR 4 HH TYR 4 -15.289 6.595 0.669 31 H SER 5 H SER 5 -13.303 1.051 1.028 32 HA SER 5 HA SER 5 -10.971 2.593 1.612 33 HB2 SER 5 HB2 SER 5 -12.892 1.016 3.344 34 HB3 SER 5 HB3 SER 5 -11.714 2.161 3.981 35 HG SER 5 HG SER 5 -14.074 2.592 2.597 36 H HIS 6 H HIS 6 -11.579 -0.881 1.793 37 HA HIS 6 HA HIS 6 -9.096 -1.444 3.250 38 HB2 HIS 6 HB2 HIS 6 -11.446 -2.708 3.063 39 HB3 HIS 6 HB3 HIS 6 -10.625 -3.516 1.727 40 HD1 HIS 6 HD1 HIS 6 -8.293 -4.713 2.351 41 HD2 HIS 6 HD2 HIS 6 -10.663 -3.588 5.592 42 HE1 HIS 6 HE1 HIS 6 -7.401 -5.969 4.360 43 H TYR 7 H TYR 7 -10.200 -1.475 -0.107 44 HA TYR 7 HA TYR 7 -7.962 -2.862 -1.248 45 HB2 TYR 7 HB2 TYR 7 -9.985 -0.852 -2.258 46 HB3 TYR 7 HB3 TYR 7 -8.756 -1.536 -3.321 47 HD1 TYR 7 HD1 TYR 7 -8.541 -4.162 -3.290 48 HD2 TYR 7 HD2 TYR 7 -12.002 -1.996 -1.964 49 HE1 TYR 7 HE1 TYR 7 -9.929 -6.198 -3.580 50 HE2 TYR 7 HE2 TYR 7 -13.389 -4.028 -2.251 51 HH TYR 7 HH TYR 7 -12.991 -6.299 -3.928 52 H VAL 8 H VAL 8 -8.587 0.615 -0.741 53 HA VAL 8 HA VAL 8 -6.085 1.519 -1.851 54 HB VAL 8 HB VAL 8 -8.145 2.899 -1.495 55 HG11 VAL 8 HG11 VAL 8 -8.846 2.082 0.680 56 HG12 VAL 8 HG12 VAL 8 -8.517 3.808 0.811 57 HG13 VAL 8 HG13 VAL 8 -7.345 2.640 1.419 58 HG21 VAL 8 HG21 VAL 8 -6.981 4.917 -0.844 59 HG22 VAL 8 HG22 VAL 8 -5.844 3.906 -1.734 60 HG23 VAL 8 HG23 VAL 8 -5.759 3.989 0.026 61 H LEU 9 H LEU 9 -7.024 0.267 1.288 62 HA LEU 9 HA LEU 9 -4.668 1.147 2.745 63 HB2 LEU 9 HB2 LEU 9 -7.023 0.345 3.546 64 HB3 LEU 9 HB3 LEU 9 -6.361 -1.279 3.359 65 HG LEU 9 HG LEU 9 -4.388 -0.451 4.795 66 HD11 LEU 9 HD11 LEU 9 -4.764 1.926 4.704 67 HD12 LEU 9 HD12 LEU 9 -5.086 1.415 6.362 68 HD13 LEU 9 HD13 LEU 9 -6.426 1.741 5.262 69 HD21 LEU 9 HD21 LEU 9 -5.592 -0.948 6.859 70 HD22 LEU 9 HD22 LEU 9 -6.206 -1.988 5.574 71 HD23 LEU 9 HD23 LEU 9 -7.133 -0.577 6.086 72 H LYS 10 H LYS 10 -5.601 -1.809 0.972 73 HA LYS 10 HA LYS 10 -3.217 -3.324 1.622 74 HB2 LYS 10 HB2 LYS 10 -5.633 -3.518 -0.016 75 HB3 LYS 10 HB3 LYS 10 -4.233 -4.207 -0.839 76 HG2 LYS 10 HG2 LYS 10 -3.755 -5.645 1.063 77 HG3 LYS 10 HG3 LYS 10 -5.041 -4.887 2.003 78 HD2 LYS 10 HD2 LYS 10 -6.105 -6.810 1.205 79 HD3 LYS 10 HD3 LYS 10 -6.570 -5.610 -0.001 80 HE2 LYS 10 HE2 LYS 10 -5.811 -7.325 -1.394 81 HE3 LYS 10 HE3 LYS 10 -4.299 -6.426 -1.164 82 HZ1 LYS 10 HZ1 LYS 10 -5.235 -8.773 0.405 83 HZ2 LYS 10 HZ2 LYS 10 -3.881 -7.832 0.820 84 HZ3 LYS 10 HZ3 LYS 10 -3.894 -8.713 -0.633 85 H PHE 11 H PHE 11 -4.184 -1.346 -1.204 86 HA PHE 11 HA PHE 11 -1.799 -1.687 -2.749 87 HB2 PHE 11 HB2 PHE 11 -4.120 -0.680 -3.319 88 HB3 PHE 11 HB3 PHE 11 -3.500 0.815 -2.620 89 HD1 PHE 11 HD1 PHE 11 -3.017 -1.684 -5.319 90 HD2 PHE 11 HD2 PHE 11 -1.855 2.148 -3.763 91 HE1 PHE 11 HE1 PHE 11 -1.847 -1.175 -7.446 92 HE2 PHE 11 HE2 PHE 11 -0.686 2.657 -5.890 93 HZ PHE 11 HZ PHE 11 -0.682 0.996 -7.732 94 H PHE 12 H PHE 12 -2.711 0.801 -0.331 95 HA PHE 12 HA PHE 12 -0.294 2.344 -0.503 96 HB2 PHE 12 HB2 PHE 12 -2.443 3.063 0.531 97 HB3 PHE 12 HB3 PHE 12 -2.205 1.879 1.817 98 HD1 PHE 12 HD1 PHE 12 -0.684 4.893 0.216 99 HD2 PHE 12 HD2 PHE 12 -0.849 2.376 3.694 100 HE1 PHE 12 HE1 PHE 12 0.708 6.522 1.461 101 HE2 PHE 12 HE2 PHE 12 0.543 4.007 4.940 102 HZ PHE 12 HZ PHE 12 1.323 6.080 3.823 103 H LEU 13 H LEU 13 -1.271 -0.356 1.637 104 HA LEU 13 HA LEU 13 1.109 -0.475 3.217 105 HB2 LEU 13 HB2 LEU 13 -1.044 -1.580 3.734 106 HB3 LEU 13 HB3 LEU 13 -0.836 -2.641 2.341 107 HG LEU 13 HG LEU 13 1.493 -2.650 4.121 108 HD11 LEU 13 HD11 LEU 13 0.482 -3.776 5.991 109 HD12 LEU 13 HD12 LEU 13 -1.091 -3.812 5.193 110 HD13 LEU 13 HD13 LEU 13 -0.417 -2.278 5.748 111 HD21 LEU 13 HD21 LEU 13 1.172 -5.093 3.871 112 HD22 LEU 13 HD22 LEU 13 1.097 -4.280 2.307 113 HD23 LEU 13 HD23 LEU 13 -0.389 -4.807 3.100 114 H LEU 14 H LEU 14 0.353 -1.743 -0.002 115 HA LEU 14 HA LEU 14 2.799 -3.372 -0.140 116 HB2 LEU 14 HB2 LEU 14 0.346 -3.522 -1.280 117 HB3 LEU 14 HB3 LEU 14 1.212 -2.673 -2.559 118 HG LEU 14 HG LEU 14 3.042 -4.515 -2.176 119 HD11 LEU 14 HD11 LEU 14 0.544 -5.885 -1.129 120 HD12 LEU 14 HD12 LEU 14 1.955 -5.461 -0.159 121 HD13 LEU 14 HD13 LEU 14 2.097 -6.663 -1.441 122 HD21 LEU 14 HD21 LEU 14 0.395 -4.822 -3.594 123 HD22 LEU 14 HD22 LEU 14 1.632 -6.074 -3.703 124 HD23 LEU 14 HD23 LEU 14 1.975 -4.444 -4.282 125 H VAL 15 H VAL 15 1.542 -0.563 -1.967 126 HA VAL 15 HA VAL 15 3.995 0.035 -3.325 127 HB VAL 15 HB VAL 15 1.542 1.660 -2.581 128 HG11 VAL 15 HG11 VAL 15 2.493 3.059 -4.628 129 HG12 VAL 15 HG12 VAL 15 4.038 2.426 -4.057 130 HG13 VAL 15 HG13 VAL 15 3.031 3.398 -2.983 131 HG21 VAL 15 HG21 VAL 15 0.760 0.224 -4.186 132 HG22 VAL 15 HG22 VAL 15 2.372 -0.114 -4.815 133 HG23 VAL 15 HG23 VAL 15 1.537 1.367 -5.283 134 H PHE 16 H PHE 16 2.518 1.708 -0.490 135 HA PHE 16 HA PHE 16 4.853 3.310 0.064 136 HB2 PHE 16 HB2 PHE 16 2.326 3.478 0.796 137 HB3 PHE 16 HB3 PHE 16 2.848 2.471 2.148 138 HD1 PHE 16 HD1 PHE 16 3.381 5.714 0.420 139 HD2 PHE 16 HD2 PHE 16 4.235 3.346 3.901 140 HE1 PHE 16 HE1 PHE 16 4.329 7.710 1.547 141 HE2 PHE 16 HE2 PHE 16 5.180 5.341 5.027 142 HZ PHE 16 HZ PHE 16 5.229 7.524 3.850 143 H GLY 17 H GLY 17 3.791 0.093 1.142 144 HA2 GLY 17 HA2 GLY 17 5.675 -0.246 3.269 145 HA3 GLY 17 HA3 GLY 17 4.916 -1.562 2.370 146 H GLU 18 H GLU 18 5.842 -1.392 -0.139 147 HA GLU 18 HA GLU 18 8.555 -2.304 0.013 148 HB2 GLU 18 HB2 GLU 18 6.520 -1.669 -2.054 149 HB3 GLU 18 HB3 GLU 18 8.194 -1.647 -2.609 150 HG2 GLU 18 HG2 GLU 18 8.252 -3.896 -2.625 151 HG3 GLU 18 HG3 GLU 18 7.805 -3.943 -0.920 152 H ASN 19 H ASN 19 7.153 0.855 -0.779 153 HA ASN 19 HA ASN 19 9.562 2.146 -1.657 154 HB2 ASN 19 HB2 ASN 19 6.850 2.894 -0.682 155 HB3 ASN 19 HB3 ASN 19 8.082 4.153 -0.592 156 HD21 ASN 19 HD21 ASN 19 6.513 1.887 -2.895 157 HD22 ASN 19 HD22 ASN 19 6.858 2.814 -4.274 158 H GLY 20 H GLY 20 8.092 1.707 1.536 159 HA2 GLY 20 HA2 GLY 20 10.112 3.274 2.934 160 HA3 GLY 20 HA3 GLY 20 8.897 2.242 3.690 161 H VAL 21 H VAL 21 9.500 -0.198 2.361 162 HA VAL 21 HA VAL 21 11.571 -1.284 3.971 163 HB VAL 21 HB VAL 21 10.243 -2.091 1.376 164 HG11 VAL 21 HG11 VAL 21 11.351 -4.412 2.331 165 HG12 VAL 21 HG12 VAL 21 12.635 -3.251 2.663 166 HG13 VAL 21 HG13 VAL 21 12.033 -3.453 1.019 167 HG21 VAL 21 HG21 VAL 21 10.124 -3.503 4.034 168 HG22 VAL 21 HG22 VAL 21 8.936 -3.498 2.730 169 HG23 VAL 21 HG23 VAL 21 9.136 -2.071 3.746 170 H PHE 22 H PHE 22 11.762 -0.816 0.436 171 HA PHE 22 HA PHE 22 13.533 -0.142 -0.961 172 HB2 PHE 22 HB2 PHE 22 13.595 1.611 0.974 173 HB3 PHE 22 HB3 PHE 22 15.014 0.718 1.520 174 HD1 PHE 22 HD1 PHE 22 16.968 0.410 -0.066 175 HD2 PHE 22 HD2 PHE 22 13.714 3.093 -0.886 176 HE1 PHE 22 HE1 PHE 22 18.357 1.578 -1.758 177 HE2 PHE 22 HE2 PHE 22 15.103 4.260 -2.577 178 HZ PHE 22 HZ PHE 22 17.423 3.503 -3.013 179 H PHE 23 H PHE 23 14.880 -1.407 2.081 180 HA PHE 23 HA PHE 23 16.315 -3.517 0.527 181 HB2 PHE 23 HB2 PHE 23 17.565 -1.275 1.333 182 HB3 PHE 23 HB3 PHE 23 17.692 -2.203 2.828 183 HD1 PHE 23 HD1 PHE 23 18.439 -2.272 -0.820 184 HD2 PHE 23 HD2 PHE 23 19.210 -4.031 3.024 185 HE1 PHE 23 HE1 PHE 23 20.310 -3.578 -1.791 186 HE2 PHE 23 HE2 PHE 23 21.080 -5.337 2.051 187 HZ PHE 23 HZ PHE 23 21.630 -5.111 -0.356 188 H TYR 24 H TYR 24 16.012 -2.415 3.915 189 HA TYR 24 HA TYR 24 15.575 -3.631 5.896 190 HB2 TYR 24 HB2 TYR 24 13.449 -3.523 4.249 191 HB3 TYR 24 HB3 TYR 24 13.624 -5.272 4.345 192 HD1 TYR 24 HD1 TYR 24 13.721 -6.366 6.653 193 HD2 TYR 24 HD2 TYR 24 12.520 -2.286 6.044 194 HE1 TYR 24 HE1 TYR 24 12.656 -6.345 8.890 195 HE2 TYR 24 HE2 TYR 24 11.455 -2.267 8.283 196 HH TYR 24 HH TYR 24 10.478 -4.566 9.873 197 H LYS 25 H LYS 25 17.842 -4.665 4.752 198 HA LYS 25 HA LYS 25 17.556 -7.598 5.269 199 HB2 LYS 25 HB2 LYS 25 18.272 -6.185 2.792 200 HB3 LYS 25 HB3 LYS 25 19.460 -7.401 3.257 201 HG2 LYS 25 HG2 LYS 25 16.545 -8.107 3.360 202 HG3 LYS 25 HG3 LYS 25 17.366 -8.087 1.799 203 HD2 LYS 25 HD2 LYS 25 18.635 -9.519 4.117 204 HD3 LYS 25 HD3 LYS 25 17.334 -10.301 3.219 205 HE2 LYS 25 HE2 LYS 25 19.528 -9.049 1.612 206 HE3 LYS 25 HE3 LYS 25 19.892 -10.566 2.458 207 HZ1 LYS 25 HZ1 LYS 25 17.537 -10.099 0.698 208 HZ2 LYS 25 HZ2 LYS 25 17.903 -11.549 1.507 209 HZ3 LYS 25 HZ3 LYS 25 18.918 -10.985 0.268 Start of MODEL 18 1 HA HIS 1 HA HIS 1 -19.607 3.254 3.103 2 HB2 HIS 1 HB2 HIS 1 -20.981 2.086 4.902 3 HB3 HIS 1 HB3 HIS 1 -21.548 3.693 4.462 4 HD1 HIS 1 HD1 HIS 1 -22.417 0.044 4.109 5 HD2 HIS 1 HD2 HIS 1 -24.078 3.752 3.176 6 HE1 HIS 1 HE1 HIS 1 -24.817 -0.396 3.431 7 H ALA 2 H ALA 2 -19.203 1.853 0.831 8 HA ALA 2 HA ALA 2 -19.757 -1.017 1.187 9 HB1 ALA 2 HB1 ALA 2 -18.221 -1.024 -0.916 10 HB2 ALA 2 HB2 ALA 2 -18.329 0.733 -0.818 11 HB3 ALA 2 HB3 ALA 2 -19.790 -0.228 -1.044 12 H TRP 3 H TRP 3 -17.760 -2.533 0.913 13 HA TRP 3 HA TRP 3 -15.811 -1.852 3.028 14 HB2 TRP 3 HB2 TRP 3 -17.171 -4.114 2.257 15 HB3 TRP 3 HB3 TRP 3 -15.584 -4.399 1.545 16 HD1 TRP 3 HD1 TRP 3 -17.232 -3.634 4.936 17 HE1 TRP 3 HE1 TRP 3 -15.684 -4.500 6.807 18 HE3 TRP 3 HE3 TRP 3 -13.217 -5.109 2.147 19 HZ2 TRP 3 HZ2 TRP 3 -13.087 -5.667 7.083 20 HZ3 TRP 3 HZ3 TRP 3 -11.222 -6.095 3.238 21 HH2 TRP 3 HH2 TRP 3 -11.152 -6.376 5.700 22 H TYR 4 H TYR 4 -14.980 -0.102 1.382 23 HA TYR 4 HA TYR 4 -12.931 -1.317 -0.440 24 HB2 TYR 4 HB2 TYR 4 -13.123 0.804 -1.696 25 HB3 TYR 4 HB3 TYR 4 -14.699 0.037 -1.523 26 HD1 TYR 4 HD1 TYR 4 -12.499 2.726 -0.179 27 HD2 TYR 4 HD2 TYR 4 -16.471 1.096 -0.315 28 HE1 TYR 4 HE1 TYR 4 -13.374 4.763 0.927 29 HE2 TYR 4 HE2 TYR 4 -17.345 3.135 0.789 30 HH TYR 4 HH TYR 4 -15.912 5.924 0.899 31 H SER 5 H SER 5 -13.298 0.351 2.499 32 HA SER 5 HA SER 5 -11.063 2.140 2.482 33 HB2 SER 5 HB2 SER 5 -13.005 1.949 4.123 34 HB3 SER 5 HB3 SER 5 -12.166 0.568 4.825 35 HG SER 5 HG SER 5 -11.424 2.261 5.967 36 H HIS 6 H HIS 6 -11.301 -1.330 3.025 37 HA HIS 6 HA HIS 6 -8.546 -1.576 4.017 38 HB2 HIS 6 HB2 HIS 6 -10.717 -3.524 3.191 39 HB3 HIS 6 HB3 HIS 6 -9.149 -4.040 3.811 40 HD1 HIS 6 HD1 HIS 6 -12.355 -2.397 4.858 41 HD2 HIS 6 HD2 HIS 6 -8.743 -3.547 6.593 42 HE1 HIS 6 HE1 HIS 6 -12.668 -2.199 7.362 43 H TYR 7 H TYR 7 -10.229 -1.835 0.948 44 HA TYR 7 HA TYR 7 -8.171 -3.238 -0.508 45 HB2 TYR 7 HB2 TYR 7 -10.506 -1.448 -1.202 46 HB3 TYR 7 HB3 TYR 7 -9.441 -2.072 -2.462 47 HD1 TYR 7 HD1 TYR 7 -11.696 -3.080 0.327 48 HD2 TYR 7 HD2 TYR 7 -9.595 -4.331 -3.204 49 HE1 TYR 7 HE1 TYR 7 -12.907 -5.239 0.371 50 HE2 TYR 7 HE2 TYR 7 -10.810 -6.493 -3.158 51 HH TYR 7 HH TYR 7 -12.278 -7.722 -0.627 52 H VAL 8 H VAL 8 -8.975 0.229 -0.216 53 HA VAL 8 HA VAL 8 -6.787 1.196 -1.799 54 HB VAL 8 HB VAL 8 -8.867 2.438 -1.102 55 HG11 VAL 8 HG11 VAL 8 -8.859 3.509 1.135 56 HG12 VAL 8 HG12 VAL 8 -7.407 2.599 1.554 57 HG13 VAL 8 HG13 VAL 8 -8.925 1.752 1.252 58 HG21 VAL 8 HG21 VAL 8 -7.749 4.598 -0.819 59 HG22 VAL 8 HG22 VAL 8 -6.854 3.613 -1.976 60 HG23 VAL 8 HG23 VAL 8 -6.263 3.787 -0.324 61 H LEU 9 H LEU 9 -7.002 0.118 1.535 62 HA LEU 9 HA LEU 9 -4.502 1.289 2.444 63 HB2 LEU 9 HB2 LEU 9 -6.524 0.447 3.793 64 HB3 LEU 9 HB3 LEU 9 -5.906 -1.179 3.500 65 HG LEU 9 HG LEU 9 -3.648 -0.210 4.400 66 HD11 LEU 9 HD11 LEU 9 -4.417 2.142 4.433 67 HD12 LEU 9 HD12 LEU 9 -3.962 1.596 6.047 68 HD13 LEU 9 HD13 LEU 9 -5.665 1.713 5.603 69 HD21 LEU 9 HD21 LEU 9 -4.332 -0.787 6.706 70 HD22 LEU 9 HD22 LEU 9 -4.997 -1.933 5.543 71 HD23 LEU 9 HD23 LEU 9 -6.027 -0.676 6.230 72 H LYS 10 H LYS 10 -5.462 -1.855 1.048 73 HA LYS 10 HA LYS 10 -2.921 -3.177 1.380 74 HB2 LYS 10 HB2 LYS 10 -5.506 -3.715 0.389 75 HB3 LYS 10 HB3 LYS 10 -4.423 -3.984 -0.977 76 HG2 LYS 10 HG2 LYS 10 -3.001 -5.425 0.489 77 HG3 LYS 10 HG3 LYS 10 -4.192 -5.233 1.777 78 HD2 LYS 10 HD2 LYS 10 -5.479 -6.014 -0.707 79 HD3 LYS 10 HD3 LYS 10 -4.221 -7.166 -0.263 80 HE2 LYS 10 HE2 LYS 10 -6.196 -7.938 0.851 81 HE3 LYS 10 HE3 LYS 10 -5.259 -7.113 2.111 82 HZ1 LYS 10 HZ1 LYS 10 -7.322 -5.780 0.434 83 HZ2 LYS 10 HZ2 LYS 10 -6.509 -5.121 1.773 84 HZ3 LYS 10 HZ3 LYS 10 -7.622 -6.386 1.989 85 H PHE 11 H PHE 11 -4.324 -1.275 -1.305 86 HA PHE 11 HA PHE 11 -2.152 -1.605 -3.155 87 HB2 PHE 11 HB2 PHE 11 -4.395 -0.817 -3.765 88 HB3 PHE 11 HB3 PHE 11 -4.197 0.608 -2.747 89 HD1 PHE 11 HD1 PHE 11 -2.794 -1.139 -5.735 90 HD2 PHE 11 HD2 PHE 11 -3.125 2.553 -3.565 91 HE1 PHE 11 HE1 PHE 11 -1.716 0.064 -7.616 92 HE2 PHE 11 HE2 PHE 11 -2.048 3.756 -5.445 93 HZ PHE 11 HZ PHE 11 -1.343 2.511 -7.472 94 H PHE 12 H PHE 12 -2.764 0.768 -0.565 95 HA PHE 12 HA PHE 12 -0.537 2.509 -1.165 96 HB2 PHE 12 HB2 PHE 12 -2.481 2.009 1.039 97 HB3 PHE 12 HB3 PHE 12 -1.009 2.872 1.478 98 HD1 PHE 12 HD1 PHE 12 -3.383 2.860 -1.443 99 HD2 PHE 12 HD2 PHE 12 -1.202 5.186 1.436 100 HE1 PHE 12 HE1 PHE 12 -4.306 4.939 -2.425 101 HE2 PHE 12 HE2 PHE 12 -2.126 7.265 0.452 102 HZ PHE 12 HZ PHE 12 -3.677 7.143 -1.478 103 H LEU 13 H LEU 13 -0.929 -0.313 0.989 104 HA LEU 13 HA LEU 13 1.687 -0.172 2.196 105 HB2 LEU 13 HB2 LEU 13 -0.513 -1.464 2.809 106 HB3 LEU 13 HB3 LEU 13 0.127 -2.710 1.738 107 HG LEU 13 HG LEU 13 2.318 -2.477 3.104 108 HD11 LEU 13 HD11 LEU 13 0.307 -1.177 4.969 109 HD12 LEU 13 HD12 LEU 13 1.751 -0.423 4.293 110 HD13 LEU 13 HD13 LEU 13 1.906 -1.737 5.458 111 HD21 LEU 13 HD21 LEU 13 0.818 -4.437 3.208 112 HD22 LEU 13 HD22 LEU 13 -0.187 -3.608 4.396 113 HD23 LEU 13 HD23 LEU 13 1.468 -4.060 4.803 114 H LEU 14 H LEU 14 0.470 -1.615 -0.804 115 HA LEU 14 HA LEU 14 2.819 -3.223 -1.348 116 HB2 LEU 14 HB2 LEU 14 0.335 -3.278 -2.234 117 HB3 LEU 14 HB3 LEU 14 0.949 -2.154 -3.446 118 HG LEU 14 HG LEU 14 2.855 -3.892 -3.778 119 HD11 LEU 14 HD11 LEU 14 0.726 -5.657 -2.528 120 HD12 LEU 14 HD12 LEU 14 2.239 -5.208 -1.741 121 HD13 LEU 14 HD13 LEU 14 2.265 -6.187 -3.207 122 HD21 LEU 14 HD21 LEU 14 1.041 -3.413 -5.414 123 HD22 LEU 14 HD22 LEU 14 0.014 -4.590 -4.595 124 HD23 LEU 14 HD23 LEU 14 1.486 -5.118 -5.407 125 H VAL 15 H VAL 15 1.980 0.129 -1.913 126 HA VAL 15 HA VAL 15 4.368 0.481 -3.676 127 HB VAL 15 HB VAL 15 1.917 2.162 -3.048 128 HG11 VAL 15 HG11 VAL 15 2.921 3.542 -5.040 129 HG12 VAL 15 HG12 VAL 15 4.449 2.817 -4.540 130 HG13 VAL 15 HG13 VAL 15 3.537 3.818 -3.411 131 HG21 VAL 15 HG21 VAL 15 2.890 0.894 -5.631 132 HG22 VAL 15 HG22 VAL 15 1.365 1.748 -5.393 133 HG23 VAL 15 HG23 VAL 15 1.647 0.205 -4.588 134 H PHE 16 H PHE 16 2.758 2.215 -0.966 135 HA PHE 16 HA PHE 16 5.188 3.659 -0.252 136 HB2 PHE 16 HB2 PHE 16 2.684 4.281 0.027 137 HB3 PHE 16 HB3 PHE 16 2.732 3.256 1.462 138 HD1 PHE 16 HD1 PHE 16 4.205 6.272 -0.137 139 HD2 PHE 16 HD2 PHE 16 3.827 3.968 3.469 140 HE1 PHE 16 HE1 PHE 16 5.231 8.124 1.153 141 HE2 PHE 16 HE2 PHE 16 4.853 5.821 4.760 142 HZ PHE 16 HZ PHE 16 5.555 7.899 3.602 143 H GLY 17 H GLY 17 3.572 0.701 0.908 144 HA2 GLY 17 HA2 GLY 17 5.131 0.431 3.323 145 HA3 GLY 17 HA3 GLY 17 4.237 -0.869 2.532 146 H GLU 18 H GLU 18 5.433 -1.098 0.091 147 HA GLU 18 HA GLU 18 7.839 -2.535 0.630 148 HB2 GLU 18 HB2 GLU 18 6.205 -1.695 -1.666 149 HB3 GLU 18 HB3 GLU 18 7.914 -1.878 -2.059 150 HG2 GLU 18 HG2 GLU 18 7.269 -4.067 -2.345 151 HG3 GLU 18 HG3 GLU 18 7.594 -4.118 -0.613 152 H ASN 19 H ASN 19 7.289 0.850 -0.108 153 HA ASN 19 HA ASN 19 10.025 1.475 -0.858 154 HB2 ASN 19 HB2 ASN 19 7.463 2.844 -0.343 155 HB3 ASN 19 HB3 ASN 19 8.889 3.814 0.028 156 HD21 ASN 19 HD21 ASN 19 7.165 2.150 -2.593 157 HD22 ASN 19 HD22 ASN 19 8.050 2.863 -3.856 158 H GLY 20 H GLY 20 8.334 1.118 2.178 159 HA2 GLY 20 HA2 GLY 20 10.624 2.334 3.653 160 HA3 GLY 20 HA3 GLY 20 9.025 2.044 4.333 161 H VAL 21 H VAL 21 8.947 -0.719 3.091 162 HA VAL 21 HA VAL 21 10.566 -2.045 5.213 163 HB VAL 21 HB VAL 21 8.257 -2.945 3.463 164 HG11 VAL 21 HG11 VAL 21 9.774 -4.363 5.670 165 HG12 VAL 21 HG12 VAL 21 9.561 -4.896 4.002 166 HG13 VAL 21 HG13 VAL 21 8.185 -4.877 5.104 167 HG21 VAL 21 HG21 VAL 21 7.459 -1.380 5.075 168 HG22 VAL 21 HG22 VAL 21 8.504 -2.033 6.337 169 HG23 VAL 21 HG23 VAL 21 7.120 -2.967 5.768 170 H PHE 22 H PHE 22 10.014 -2.138 1.703 171 HA PHE 22 HA PHE 22 12.212 -4.134 1.415 172 HB2 PHE 22 HB2 PHE 22 9.685 -3.811 0.275 173 HB3 PHE 22 HB3 PHE 22 10.794 -3.306 -0.999 174 HD1 PHE 22 HD1 PHE 22 12.472 -4.861 -1.909 175 HD2 PHE 22 HD2 PHE 22 9.670 -6.098 1.105 176 HE1 PHE 22 HE1 PHE 22 13.021 -7.235 -2.372 177 HE2 PHE 22 HE2 PHE 22 10.220 -8.472 0.641 178 HZ PHE 22 HZ PHE 22 11.895 -9.040 -1.097 179 H PHE 23 H PHE 23 11.743 -0.758 1.193 180 HA PHE 23 HA PHE 23 14.244 -0.511 -0.440 181 HB2 PHE 23 HB2 PHE 23 11.512 0.444 -0.930 182 HB3 PHE 23 HB3 PHE 23 12.714 1.730 -1.036 183 HD1 PHE 23 HD1 PHE 23 14.786 1.334 -2.496 184 HD2 PHE 23 HD2 PHE 23 11.274 -1.133 -2.678 185 HE1 PHE 23 HE1 PHE 23 15.487 0.501 -4.723 186 HE2 PHE 23 HE2 PHE 23 11.975 -1.967 -4.906 187 HZ PHE 23 HZ PHE 23 14.082 -1.149 -5.928 188 H TYR 24 H TYR 24 14.071 -0.445 2.436 189 HA TYR 24 HA TYR 24 15.018 2.342 2.909 190 HB2 TYR 24 HB2 TYR 24 12.467 1.466 3.557 191 HB3 TYR 24 HB3 TYR 24 13.345 1.263 5.071 192 HD1 TYR 24 HD1 TYR 24 12.782 3.743 2.317 193 HD2 TYR 24 HD2 TYR 24 13.710 3.112 6.463 194 HE1 TYR 24 HE1 TYR 24 12.648 6.186 2.718 195 HE2 TYR 24 HE2 TYR 24 13.580 5.555 6.864 196 HH TYR 24 HH TYR 24 12.126 7.601 5.277 197 H LYS 25 H LYS 25 16.307 -0.373 2.740 198 HA LYS 25 HA LYS 25 17.930 -1.634 3.889 199 HB2 LYS 25 HB2 LYS 25 17.944 1.103 5.149 200 HB3 LYS 25 HB3 LYS 25 19.009 -0.152 5.780 201 HG2 LYS 25 HG2 LYS 25 20.427 0.637 4.168 202 HG3 LYS 25 HG3 LYS 25 19.492 -0.440 3.132 203 HD2 LYS 25 HD2 LYS 25 19.516 1.654 1.997 204 HD3 LYS 25 HD3 LYS 25 17.920 1.547 2.739 205 HE2 LYS 25 HE2 LYS 25 19.237 2.743 4.771 206 HE3 LYS 25 HE3 LYS 25 20.197 3.354 3.410 207 HZ1 LYS 25 HZ1 LYS 25 18.256 4.758 3.821 208 HZ2 LYS 25 HZ2 LYS 25 17.227 3.426 3.595 209 HZ3 LYS 25 HZ3 LYS 25 18.157 4.017 2.300 Start of MODEL 19 1 HA HIS 1 HA HIS 1 -15.781 3.784 9.364 2 HB2 HIS 1 HB2 HIS 1 -13.546 2.639 9.220 3 HB3 HIS 1 HB3 HIS 1 -14.212 2.651 10.850 4 HD1 HIS 1 HD1 HIS 1 -14.050 0.316 7.828 5 HD2 HIS 1 HD2 HIS 1 -14.409 0.126 11.978 6 HE1 HIS 1 HE1 HIS 1 -13.974 -2.138 8.442 7 H ALA 2 H ALA 2 -17.833 2.077 8.006 8 HA ALA 2 HA ALA 2 -18.378 1.524 5.780 9 HB1 ALA 2 HB1 ALA 2 -17.200 2.691 4.161 10 HB2 ALA 2 HB2 ALA 2 -15.634 2.319 4.882 11 HB3 ALA 2 HB3 ALA 2 -16.663 3.563 5.595 12 H TRP 3 H TRP 3 -18.067 -0.281 4.348 13 HA TRP 3 HA TRP 3 -16.068 -2.274 5.343 14 HB2 TRP 3 HB2 TRP 3 -18.782 -2.410 5.003 15 HB3 TRP 3 HB3 TRP 3 -18.216 -3.087 3.476 16 HD1 TRP 3 HD1 TRP 3 -17.817 -3.590 7.273 17 HE1 TRP 3 HE1 TRP 3 -17.171 -6.046 7.703 18 HE3 TRP 3 HE3 TRP 3 -17.301 -5.222 2.461 19 HZ2 TRP 3 HZ2 TRP 3 -16.523 -8.395 6.204 20 HZ3 TRP 3 HZ3 TRP 3 -16.670 -7.571 1.992 21 HH2 TRP 3 HH2 TRP 3 -16.280 -9.159 3.855 22 H TYR 4 H TYR 4 -15.833 -0.007 3.140 23 HA TYR 4 HA TYR 4 -14.590 -1.808 1.094 24 HB2 TYR 4 HB2 TYR 4 -15.377 -0.160 -0.609 25 HB3 TYR 4 HB3 TYR 4 -16.710 -0.915 0.257 26 HD1 TYR 4 HD1 TYR 4 -14.701 2.187 -0.091 27 HD2 TYR 4 HD2 TYR 4 -18.143 0.360 1.720 28 HE1 TYR 4 HE1 TYR 4 -15.533 4.422 0.585 29 HE2 TYR 4 HE2 TYR 4 -18.976 2.597 2.392 30 HH TYR 4 HH TYR 4 -18.319 5.240 1.191 31 H SER 5 H SER 5 -13.522 -0.201 3.472 32 HA SER 5 HA SER 5 -11.707 1.676 2.004 33 HB2 SER 5 HB2 SER 5 -13.300 1.985 4.245 34 HB3 SER 5 HB3 SER 5 -11.715 1.671 4.947 35 HG SER 5 HG SER 5 -12.639 3.885 3.734 36 H HIS 6 H HIS 6 -11.436 -1.374 2.289 37 HA HIS 6 HA HIS 6 -8.889 -1.481 3.859 38 HB2 HIS 6 HB2 HIS 6 -10.788 -3.635 2.874 39 HB3 HIS 6 HB3 HIS 6 -9.331 -3.939 3.820 40 HD1 HIS 6 HD1 HIS 6 -9.439 -1.898 6.004 41 HD2 HIS 6 HD2 HIS 6 -12.876 -3.839 4.664 42 HE1 HIS 6 HE1 HIS 6 -11.131 -1.734 7.880 43 H TYR 7 H TYR 7 -10.314 -2.398 0.725 44 HA TYR 7 HA TYR 7 -7.958 -3.511 -0.448 45 HB2 TYR 7 HB2 TYR 7 -10.556 -2.354 -1.359 46 HB3 TYR 7 HB3 TYR 7 -9.293 -2.537 -2.575 47 HD1 TYR 7 HD1 TYR 7 -8.067 -4.855 -2.634 48 HD2 TYR 7 HD2 TYR 7 -11.900 -4.195 -0.810 49 HE1 TYR 7 HE1 TYR 7 -8.557 -7.282 -2.781 50 HE2 TYR 7 HE2 TYR 7 -12.388 -6.621 -0.958 51 HH TYR 7 HH TYR 7 -11.206 -8.624 -2.803 52 H VAL 8 H VAL 8 -9.220 -0.185 -0.432 53 HA VAL 8 HA VAL 8 -7.185 0.987 -2.069 54 HB VAL 8 HB VAL 8 -9.379 2.007 -1.448 55 HG11 VAL 8 HG11 VAL 8 -8.129 2.659 1.227 56 HG12 VAL 8 HG12 VAL 8 -9.165 1.251 1.001 57 HG13 VAL 8 HG13 VAL 8 -9.807 2.870 0.726 58 HG21 VAL 8 HG21 VAL 8 -7.482 3.409 -2.254 59 HG22 VAL 8 HG22 VAL 8 -6.996 3.674 -0.580 60 HG23 VAL 8 HG23 VAL 8 -8.546 4.288 -1.155 61 H LEU 9 H LEU 9 -7.313 0.189 1.367 62 HA LEU 9 HA LEU 9 -4.900 1.615 2.127 63 HB2 LEU 9 HB2 LEU 9 -6.949 0.597 3.480 64 HB3 LEU 9 HB3 LEU 9 -5.922 -0.838 3.529 65 HG LEU 9 HG LEU 9 -4.056 0.811 4.302 66 HD11 LEU 9 HD11 LEU 9 -5.114 2.696 5.670 67 HD12 LEU 9 HD12 LEU 9 -6.592 2.399 4.754 68 HD13 LEU 9 HD13 LEU 9 -5.125 2.913 3.920 69 HD21 LEU 9 HD21 LEU 9 -5.046 -0.932 5.733 70 HD22 LEU 9 HD22 LEU 9 -6.412 0.126 6.091 71 HD23 LEU 9 HD23 LEU 9 -4.796 0.551 6.656 72 H LYS 10 H LYS 10 -5.640 -1.682 1.002 73 HA LYS 10 HA LYS 10 -3.087 -2.884 1.482 74 HB2 LYS 10 HB2 LYS 10 -5.457 -3.324 -0.300 75 HB3 LYS 10 HB3 LYS 10 -3.989 -4.239 -0.640 76 HG2 LYS 10 HG2 LYS 10 -5.030 -4.114 2.176 77 HG3 LYS 10 HG3 LYS 10 -5.773 -5.224 1.024 78 HD2 LYS 10 HD2 LYS 10 -2.779 -5.137 1.347 79 HD3 LYS 10 HD3 LYS 10 -3.773 -6.084 2.454 80 HE2 LYS 10 HE2 LYS 10 -4.620 -7.455 0.672 81 HE3 LYS 10 HE3 LYS 10 -3.958 -6.368 -0.564 82 HZ1 LYS 10 HZ1 LYS 10 -1.728 -6.808 0.344 83 HZ2 LYS 10 HZ2 LYS 10 -2.464 -8.220 -0.251 84 HZ3 LYS 10 HZ3 LYS 10 -2.393 -7.937 1.422 85 H PHE 11 H PHE 11 -4.378 -1.124 -1.354 86 HA PHE 11 HA PHE 11 -2.092 -1.424 -3.055 87 HB2 PHE 11 HB2 PHE 11 -4.343 -0.690 -3.772 88 HB3 PHE 11 HB3 PHE 11 -4.164 0.790 -2.829 89 HD1 PHE 11 HD1 PHE 11 -2.652 -1.146 -5.646 90 HD2 PHE 11 HD2 PHE 11 -3.066 2.680 -3.734 91 HE1 PHE 11 HE1 PHE 11 -1.496 -0.067 -7.554 92 HE2 PHE 11 HE2 PHE 11 -1.910 3.758 -5.643 93 HZ PHE 11 HZ PHE 11 -1.124 2.386 -7.554 94 H PHE 12 H PHE 12 -2.970 1.084 -0.666 95 HA PHE 12 HA PHE 12 -0.688 2.791 -1.117 96 HB2 PHE 12 HB2 PHE 12 -2.812 2.376 0.955 97 HB3 PHE 12 HB3 PHE 12 -1.415 3.351 1.405 98 HD1 PHE 12 HD1 PHE 12 -3.689 2.950 -1.568 99 HD2 PHE 12 HD2 PHE 12 -1.609 5.640 1.059 100 HE1 PHE 12 HE1 PHE 12 -4.638 4.882 -2.795 101 HE2 PHE 12 HE2 PHE 12 -2.559 7.572 -0.171 102 HZ PHE 12 HZ PHE 12 -4.074 7.193 -2.097 103 H LEU 13 H LEU 13 -1.341 0.174 1.237 104 HA LEU 13 HA LEU 13 1.187 0.343 2.613 105 HB2 LEU 13 HB2 LEU 13 -1.106 -0.814 3.174 106 HB3 LEU 13 HB3 LEU 13 -0.425 -2.182 2.291 107 HG LEU 13 HG LEU 13 1.283 -0.866 4.365 108 HD11 LEU 13 HD11 LEU 13 -0.929 -1.128 5.458 109 HD12 LEU 13 HD12 LEU 13 0.268 -2.229 6.138 110 HD13 LEU 13 HD13 LEU 13 -0.940 -2.832 5.003 111 HD21 LEU 13 HD21 LEU 13 0.925 -3.570 3.104 112 HD22 LEU 13 HD22 LEU 13 1.681 -3.460 4.694 113 HD23 LEU 13 HD23 LEU 13 2.399 -2.626 3.317 114 H LEU 14 H LEU 14 0.135 -1.327 -0.331 115 HA LEU 14 HA LEU 14 2.397 -3.107 -0.564 116 HB2 LEU 14 HB2 LEU 14 0.109 -3.181 -1.716 117 HB3 LEU 14 HB3 LEU 14 0.722 -1.926 -2.793 118 HG LEU 14 HG LEU 14 2.704 -3.491 -3.240 119 HD11 LEU 14 HD11 LEU 14 2.571 -5.080 -1.497 120 HD12 LEU 14 HD12 LEU 14 1.962 -5.952 -2.905 121 HD13 LEU 14 HD13 LEU 14 0.834 -5.303 -1.714 122 HD21 LEU 14 HD21 LEU 14 0.721 -3.091 -4.770 123 HD22 LEU 14 HD22 LEU 14 -0.015 -4.537 -4.080 124 HD23 LEU 14 HD23 LEU 14 1.501 -4.658 -4.973 125 H VAL 15 H VAL 15 1.679 0.096 -1.946 126 HA VAL 15 HA VAL 15 4.201 0.345 -3.362 127 HB VAL 15 HB VAL 15 2.090 2.331 -2.444 128 HG11 VAL 15 HG11 VAL 15 3.202 3.628 -4.467 129 HG12 VAL 15 HG12 VAL 15 4.613 2.662 -4.033 130 HG13 VAL 15 HG13 VAL 15 3.889 3.749 -2.847 131 HG21 VAL 15 HG21 VAL 15 2.475 1.662 -5.306 132 HG22 VAL 15 HG22 VAL 15 0.982 1.869 -4.391 133 HG23 VAL 15 HG23 VAL 15 1.863 0.344 -4.305 134 H PHE 16 H PHE 16 2.961 1.694 -0.276 135 HA PHE 16 HA PHE 16 5.468 2.993 0.412 136 HB2 PHE 16 HB2 PHE 16 3.089 3.551 1.160 137 HB3 PHE 16 HB3 PHE 16 3.202 2.165 2.245 138 HD1 PHE 16 HD1 PHE 16 5.055 5.285 1.292 139 HD2 PHE 16 HD2 PHE 16 4.139 2.436 4.375 140 HE1 PHE 16 HE1 PHE 16 6.291 6.667 2.937 141 HE2 PHE 16 HE2 PHE 16 5.377 3.819 6.020 142 HZ PHE 16 HZ PHE 16 6.453 5.934 5.301 143 H GLY 17 H GLY 17 4.217 -0.261 0.816 144 HA2 GLY 17 HA2 GLY 17 5.771 -1.076 3.072 145 HA3 GLY 17 HA3 GLY 17 5.148 -2.161 1.829 146 H GLU 18 H GLU 18 6.441 -1.413 -0.439 147 HA GLU 18 HA GLU 18 9.141 -2.396 -0.004 148 HB2 GLU 18 HB2 GLU 18 7.520 -1.371 -2.333 149 HB3 GLU 18 HB3 GLU 18 9.232 -1.749 -2.532 150 HG2 GLU 18 HG2 GLU 18 7.442 -3.763 -1.210 151 HG3 GLU 18 HG3 GLU 18 7.410 -3.611 -2.966 152 H ASN 19 H ASN 19 7.736 0.781 -0.757 153 HA ASN 19 HA ASN 19 10.294 2.128 -1.031 154 HB2 ASN 19 HB2 ASN 19 7.406 2.910 -0.729 155 HB3 ASN 19 HB3 ASN 19 8.661 4.147 -0.651 156 HD21 ASN 19 HD21 ASN 19 7.089 1.799 -2.788 157 HD22 ASN 19 HD22 ASN 19 7.798 2.366 -4.223 158 H GLY 20 H GLY 20 8.567 0.986 1.689 159 HA2 GLY 20 HA2 GLY 20 9.912 2.939 3.500 160 HA3 GLY 20 HA3 GLY 20 8.497 1.979 3.932 161 H VAL 21 H VAL 21 9.527 -0.536 2.811 162 HA VAL 21 HA VAL 21 11.504 -1.152 4.966 163 HB VAL 21 HB VAL 21 9.747 -2.979 3.298 164 HG11 VAL 21 HG11 VAL 21 10.254 -4.652 4.981 165 HG12 VAL 21 HG12 VAL 21 11.149 -3.473 5.941 166 HG13 VAL 21 HG13 VAL 21 11.777 -3.997 4.378 167 HG21 VAL 21 HG21 VAL 21 8.404 -3.085 5.466 168 HG22 VAL 21 HG22 VAL 21 8.283 -1.568 4.576 169 HG23 VAL 21 HG23 VAL 21 9.319 -1.674 5.999 170 H PHE 22 H PHE 22 10.827 -2.118 1.590 171 HA PHE 22 HA PHE 22 13.425 -3.264 1.116 172 HB2 PHE 22 HB2 PHE 22 11.109 -3.476 -0.103 173 HB3 PHE 22 HB3 PHE 22 11.668 -2.078 -1.019 174 HD1 PHE 22 HD1 PHE 22 12.302 -5.628 -0.229 175 HD2 PHE 22 HD2 PHE 22 13.533 -2.241 -2.566 176 HE1 PHE 22 HE1 PHE 22 13.694 -7.112 -1.645 177 HE2 PHE 22 HE2 PHE 22 14.925 -3.726 -3.983 178 HZ PHE 22 HZ PHE 22 15.006 -6.161 -3.523 179 H PHE 23 H PHE 23 12.127 -0.012 0.772 180 HA PHE 23 HA PHE 23 14.642 0.956 -0.498 181 HB2 PHE 23 HB2 PHE 23 12.016 1.457 -0.967 182 HB3 PHE 23 HB3 PHE 23 12.372 2.763 0.160 183 HD1 PHE 23 HD1 PHE 23 13.539 1.164 -3.008 184 HD2 PHE 23 HD2 PHE 23 13.559 4.681 -0.541 185 HE1 PHE 23 HE1 PHE 23 14.646 2.434 -4.827 186 HE2 PHE 23 HE2 PHE 23 14.667 5.951 -2.360 187 HZ PHE 23 HZ PHE 23 15.211 4.827 -4.503 188 H TYR 24 H TYR 24 14.649 0.081 2.319 189 HA TYR 24 HA TYR 24 15.787 2.515 3.528 190 HB2 TYR 24 HB2 TYR 24 13.098 2.023 3.836 191 HB3 TYR 24 HB3 TYR 24 13.768 1.236 5.265 192 HD1 TYR 24 HD1 TYR 24 13.592 4.448 3.401 193 HD2 TYR 24 HD2 TYR 24 14.689 2.504 7.072 194 HE1 TYR 24 HE1 TYR 24 13.882 6.658 4.485 195 HE2 TYR 24 HE2 TYR 24 14.979 4.714 8.154 196 HH TYR 24 HH TYR 24 13.769 7.311 7.381 197 H LYS 25 H LYS 25 16.810 -0.142 2.789 198 HA LYS 25 HA LYS 25 17.655 -1.096 5.505 199 HB2 LYS 25 HB2 LYS 25 15.887 -2.439 4.060 200 HB3 LYS 25 HB3 LYS 25 17.321 -2.965 3.175 201 HG2 LYS 25 HG2 LYS 25 18.339 -3.693 5.338 202 HG3 LYS 25 HG3 LYS 25 16.833 -3.267 6.154 203 HD2 LYS 25 HD2 LYS 25 16.337 -5.466 5.749 204 HD3 LYS 25 HD3 LYS 25 15.841 -4.826 4.181 205 HE2 LYS 25 HE2 LYS 25 18.247 -5.245 3.398 206 HE3 LYS 25 HE3 LYS 25 18.454 -6.192 4.886 207 HZ1 LYS 25 HZ1 LYS 25 16.359 -7.380 4.255 208 HZ2 LYS 25 HZ2 LYS 25 17.677 -7.683 3.227 209 HZ3 LYS 25 HZ3 LYS 25 16.445 -6.619 2.740 Start of MODEL 20 1 HA HIS 1 HA HIS 1 -22.352 0.892 -0.809 2 HB2 HIS 1 HB2 HIS 1 -24.109 1.342 -2.585 3 HB3 HIS 1 HB3 HIS 1 -22.814 1.944 -3.620 4 HD1 HIS 1 HD1 HIS 1 -21.653 0.224 -5.010 5 HD2 HIS 1 HD2 HIS 1 -23.569 -1.493 -1.728 6 HE1 HIS 1 HE1 HIS 1 -21.372 -2.282 -5.245 7 H ALA 2 H ALA 2 -20.208 1.625 -0.019 8 HA ALA 2 HA ALA 2 -18.164 1.510 -2.145 9 HB1 ALA 2 HB1 ALA 2 -17.146 3.668 -1.160 10 HB2 ALA 2 HB2 ALA 2 -18.722 3.927 -0.413 11 HB3 ALA 2 HB3 ALA 2 -18.579 3.858 -2.170 12 H TRP 3 H TRP 3 -17.299 -0.334 -1.127 13 HA TRP 3 HA TRP 3 -16.348 0.007 1.702 14 HB2 TRP 3 HB2 TRP 3 -16.966 -2.526 0.138 15 HB3 TRP 3 HB3 TRP 3 -16.587 -2.427 1.856 16 HD1 TRP 3 HD1 TRP 3 -19.439 -3.051 -0.069 17 HE1 TRP 3 HE1 TRP 3 -21.615 -2.151 0.979 18 HE3 TRP 3 HE3 TRP 3 -17.495 0.237 3.324 19 HZ2 TRP 3 HZ2 TRP 3 -22.424 -0.284 2.987 20 HZ3 TRP 3 HZ3 TRP 3 -18.991 1.560 4.789 21 HH2 TRP 3 HH2 TRP 3 -21.451 1.304 4.626 22 H TYR 4 H TYR 4 -14.606 1.156 0.057 23 HA TYR 4 HA TYR 4 -12.570 -0.915 -0.680 24 HB2 TYR 4 HB2 TYR 4 -11.753 0.739 -2.267 25 HB3 TYR 4 HB3 TYR 4 -13.497 0.596 -2.458 26 HD1 TYR 4 HD1 TYR 4 -10.776 2.697 -1.049 27 HD2 TYR 4 HD2 TYR 4 -14.970 2.434 -1.953 28 HE1 TYR 4 HE1 TYR 4 -11.022 5.125 -0.618 29 HE2 TYR 4 HE2 TYR 4 -15.212 4.864 -1.524 30 HH TYR 4 HH TYR 4 -13.786 6.613 -0.001 31 H SER 5 H SER 5 -13.208 0.888 1.945 32 HA SER 5 HA SER 5 -10.946 2.491 2.503 33 HB2 SER 5 HB2 SER 5 -13.018 2.350 3.849 34 HB3 SER 5 HB3 SER 5 -12.582 0.716 4.343 35 HG SER 5 HG SER 5 -11.986 2.412 5.847 36 H HIS 6 H HIS 6 -11.352 -1.012 2.741 37 HA HIS 6 HA HIS 6 -8.681 -1.388 3.933 38 HB2 HIS 6 HB2 HIS 6 -10.775 -2.734 4.460 39 HB3 HIS 6 HB3 HIS 6 -10.644 -3.426 2.843 40 HD1 HIS 6 HD1 HIS 6 -8.325 -2.939 5.847 41 HD2 HIS 6 HD2 HIS 6 -9.138 -5.731 2.859 42 HE1 HIS 6 HE1 HIS 6 -6.796 -4.913 6.276 43 H TYR 7 H TYR 7 -10.270 -1.711 0.796 44 HA TYR 7 HA TYR 7 -8.187 -3.129 -0.573 45 HB2 TYR 7 HB2 TYR 7 -10.550 -1.433 -1.259 46 HB3 TYR 7 HB3 TYR 7 -9.373 -1.733 -2.537 47 HD1 TYR 7 HD1 TYR 7 -8.706 -4.148 -3.038 48 HD2 TYR 7 HD2 TYR 7 -12.105 -3.107 -0.624 49 HE1 TYR 7 HE1 TYR 7 -9.642 -6.420 -3.376 50 HE2 TYR 7 HE2 TYR 7 -13.039 -5.380 -0.963 51 HH TYR 7 HH TYR 7 -12.476 -7.290 -3.162 52 H VAL 8 H VAL 8 -8.837 0.357 -0.197 53 HA VAL 8 HA VAL 8 -6.610 1.261 -1.777 54 HB VAL 8 HB VAL 8 -8.653 2.568 -1.045 55 HG11 VAL 8 HG11 VAL 8 -8.824 3.438 1.154 56 HG12 VAL 8 HG12 VAL 8 -7.165 2.984 1.552 57 HG13 VAL 8 HG13 VAL 8 -8.404 1.741 1.381 58 HG21 VAL 8 HG21 VAL 8 -7.429 4.684 -0.745 59 HG22 VAL 8 HG22 VAL 8 -6.637 3.682 -1.961 60 HG23 VAL 8 HG23 VAL 8 -5.966 3.790 -0.334 61 H LEU 9 H LEU 9 -6.918 0.183 1.553 62 HA LEU 9 HA LEU 9 -4.346 1.172 2.482 63 HB2 LEU 9 HB2 LEU 9 -6.626 0.170 3.612 64 HB3 LEU 9 HB3 LEU 9 -5.579 -1.244 3.700 65 HG LEU 9 HG LEU 9 -5.374 0.108 5.744 66 HD11 LEU 9 HD11 LEU 9 -3.367 -1.064 4.601 67 HD12 LEU 9 HD12 LEU 9 -3.018 0.123 5.857 68 HD13 LEU 9 HD13 LEU 9 -2.850 0.562 4.158 69 HD21 LEU 9 HD21 LEU 9 -4.233 2.317 4.021 70 HD22 LEU 9 HD22 LEU 9 -4.678 2.386 5.725 71 HD23 LEU 9 HD23 LEU 9 -5.932 2.281 4.491 72 H LYS 10 H LYS 10 -5.533 -1.866 1.041 73 HA LYS 10 HA LYS 10 -3.103 -3.390 1.391 74 HB2 LYS 10 HB2 LYS 10 -5.588 -4.024 0.772 75 HB3 LYS 10 HB3 LYS 10 -5.040 -3.761 -0.885 76 HG2 LYS 10 HG2 LYS 10 -4.401 -5.947 -0.756 77 HG3 LYS 10 HG3 LYS 10 -2.996 -5.284 0.080 78 HD2 LYS 10 HD2 LYS 10 -3.670 -6.840 1.650 79 HD3 LYS 10 HD3 LYS 10 -4.617 -5.453 2.189 80 HE2 LYS 10 HE2 LYS 10 -6.516 -6.284 0.727 81 HE3 LYS 10 HE3 LYS 10 -5.572 -7.764 0.466 82 HZ1 LYS 10 HZ1 LYS 10 -6.513 -6.656 3.056 83 HZ2 LYS 10 HZ2 LYS 10 -5.353 -7.893 2.943 84 HZ3 LYS 10 HZ3 LYS 10 -6.928 -8.146 2.361 85 H PHE 11 H PHE 11 -4.369 -1.405 -1.305 86 HA PHE 11 HA PHE 11 -2.162 -1.911 -3.104 87 HB2 PHE 11 HB2 PHE 11 -4.498 -1.069 -3.639 88 HB3 PHE 11 HB3 PHE 11 -4.020 0.487 -2.962 89 HD1 PHE 11 HD1 PHE 11 -3.218 -2.001 -5.616 90 HD2 PHE 11 HD2 PHE 11 -2.686 2.021 -4.204 91 HE1 PHE 11 HE1 PHE 11 -2.159 -1.383 -7.772 92 HE2 PHE 11 HE2 PHE 11 -1.628 2.639 -6.359 93 HZ PHE 11 HZ PHE 11 -1.364 0.937 -8.143 94 H PHE 12 H PHE 12 -2.901 0.750 -0.822 95 HA PHE 12 HA PHE 12 -0.590 2.355 -1.383 96 HB2 PHE 12 HB2 PHE 12 -2.647 3.063 -0.166 97 HB3 PHE 12 HB3 PHE 12 -2.192 2.014 1.177 98 HD1 PHE 12 HD1 PHE 12 -0.860 4.823 -0.920 99 HD2 PHE 12 HD2 PHE 12 -0.837 2.848 2.894 100 HE1 PHE 12 HE1 PHE 12 0.580 6.620 0.002 101 HE2 PHE 12 HE2 PHE 12 0.601 4.646 3.817 102 HZ PHE 12 HZ PHE 12 1.310 6.532 2.370 103 H LEU 13 H LEU 13 -1.164 -0.267 0.978 104 HA LEU 13 HA LEU 13 1.369 -0.117 2.323 105 HB2 LEU 13 HB2 LEU 13 -0.768 -1.322 2.999 106 HB3 LEU 13 HB3 LEU 13 -0.354 -2.563 1.816 107 HG LEU 13 HG LEU 13 1.850 -1.850 3.645 108 HD11 LEU 13 HD11 LEU 13 0.930 -3.012 5.575 109 HD12 LEU 13 HD12 LEU 13 -0.571 -3.338 4.709 110 HD13 LEU 13 HD13 LEU 13 -0.147 -1.684 5.148 111 HD21 LEU 13 HD21 LEU 13 2.222 -4.220 3.584 112 HD22 LEU 13 HD22 LEU 13 1.733 -3.760 1.954 113 HD23 LEU 13 HD23 LEU 13 0.574 -4.530 3.038 114 H LEU 14 H LEU 14 0.338 -1.687 -0.684 115 HA LEU 14 HA LEU 14 2.746 -3.283 -1.016 116 HB2 LEU 14 HB2 LEU 14 0.346 -3.547 -1.990 117 HB3 LEU 14 HB3 LEU 14 0.871 -2.374 -3.197 118 HG LEU 14 HG LEU 14 2.911 -3.918 -3.546 119 HD11 LEU 14 HD11 LEU 14 2.546 -6.271 -2.945 120 HD12 LEU 14 HD12 LEU 14 1.017 -5.852 -2.173 121 HD13 LEU 14 HD13 LEU 14 2.536 -5.266 -1.495 122 HD21 LEU 14 HD21 LEU 14 1.024 -3.673 -5.149 123 HD22 LEU 14 HD22 LEU 14 0.148 -4.939 -4.285 124 HD23 LEU 14 HD23 LEU 14 1.653 -5.320 -5.121 125 H VAL 15 H VAL 15 1.932 0.032 -1.650 126 HA VAL 15 HA VAL 15 4.290 0.358 -3.460 127 HB VAL 15 HB VAL 15 1.887 2.100 -2.796 128 HG11 VAL 15 HG11 VAL 15 2.829 3.367 -4.884 129 HG12 VAL 15 HG12 VAL 15 4.356 2.604 -4.443 130 HG13 VAL 15 HG13 VAL 15 3.546 3.679 -3.305 131 HG21 VAL 15 HG21 VAL 15 2.629 0.892 -5.465 132 HG22 VAL 15 HG22 VAL 15 1.063 1.510 -4.939 133 HG23 VAL 15 HG23 VAL 15 1.675 -0.009 -4.286 134 H PHE 16 H PHE 16 2.706 2.221 -0.824 135 HA PHE 16 HA PHE 16 5.082 3.678 -0.094 136 HB2 PHE 16 HB2 PHE 16 2.583 4.163 0.330 137 HB3 PHE 16 HB3 PHE 16 2.715 3.037 1.680 138 HD1 PHE 16 HD1 PHE 16 4.218 6.143 0.244 139 HD2 PHE 16 HD2 PHE 16 3.622 3.729 3.748 140 HE1 PHE 16 HE1 PHE 16 5.196 7.939 1.647 141 HE2 PHE 16 HE2 PHE 16 4.599 5.526 5.150 142 HZ PHE 16 HZ PHE 16 5.387 7.630 4.101 143 H GLY 17 H GLY 17 3.620 0.643 1.094 144 HA2 GLY 17 HA2 GLY 17 5.354 0.309 3.363 145 HA3 GLY 17 HA3 GLY 17 4.461 -0.987 2.565 146 H GLU 18 H GLU 18 5.545 -0.840 -0.013 147 HA GLU 18 HA GLU 18 7.963 -2.333 0.231 148 HB2 GLU 18 HB2 GLU 18 6.435 -0.946 -1.946 149 HB3 GLU 18 HB3 GLU 18 8.048 -1.558 -2.312 150 HG2 GLU 18 HG2 GLU 18 6.045 -3.324 -0.920 151 HG3 GLU 18 HG3 GLU 18 5.992 -3.133 -2.672 152 H ASN 19 H ASN 19 7.381 1.117 -0.326 153 HA ASN 19 HA ASN 19 10.066 1.906 -0.928 154 HB2 ASN 19 HB2 ASN 19 7.540 3.156 0.049 155 HB3 ASN 19 HB3 ASN 19 9.021 4.085 0.274 156 HD21 ASN 19 HD21 ASN 19 6.743 2.898 -2.117 157 HD22 ASN 19 HD22 ASN 19 7.470 3.644 -3.457 158 H GLY 20 H GLY 20 8.360 1.408 2.128 159 HA2 GLY 20 HA2 GLY 20 10.604 2.371 3.749 160 HA3 GLY 20 HA3 GLY 20 9.119 1.643 4.363 161 H VAL 21 H VAL 21 9.161 -0.792 2.905 162 HA VAL 21 HA VAL 21 10.936 -2.379 4.528 163 HB VAL 21 HB VAL 21 9.320 -2.946 2.024 164 HG11 VAL 21 HG11 VAL 21 9.513 -5.360 2.867 165 HG12 VAL 21 HG12 VAL 21 10.851 -4.793 3.869 166 HG13 VAL 21 HG13 VAL 21 10.955 -4.682 2.111 167 HG21 VAL 21 HG21 VAL 21 8.775 -3.701 4.909 168 HG22 VAL 21 HG22 VAL 21 7.666 -3.811 3.542 169 HG23 VAL 21 HG23 VAL 21 8.143 -2.232 4.166 170 H PHE 22 H PHE 22 11.266 -0.969 1.324 171 HA PHE 22 HA PHE 22 13.360 -2.522 0.232 172 HB2 PHE 22 HB2 PHE 22 11.938 -0.562 -0.709 173 HB3 PHE 22 HB3 PHE 22 13.179 0.480 -0.015 174 HD1 PHE 22 HD1 PHE 22 15.583 0.193 -0.733 175 HD2 PHE 22 HD2 PHE 22 12.326 -1.783 -2.719 176 HE1 PHE 22 HE1 PHE 22 17.038 -0.235 -2.695 177 HE2 PHE 22 HE2 PHE 22 13.782 -2.213 -4.680 178 HZ PHE 22 HZ PHE 22 16.138 -1.438 -4.669 179 H PHE 23 H PHE 23 13.499 0.075 2.636 180 HA PHE 23 HA PHE 23 16.457 -0.364 2.864 181 HB2 PHE 23 HB2 PHE 23 14.679 2.048 3.285 182 HB3 PHE 23 HB3 PHE 23 16.348 2.002 3.850 183 HD1 PHE 23 HD1 PHE 23 18.171 1.376 2.101 184 HD2 PHE 23 HD2 PHE 23 14.202 2.652 1.064 185 HE1 PHE 23 HE1 PHE 23 18.956 1.968 -0.175 186 HE2 PHE 23 HE2 PHE 23 14.988 3.244 -1.212 187 HZ PHE 23 HZ PHE 23 17.365 2.902 -1.831 188 H TYR 24 H TYR 24 14.094 1.163 5.043 189 HA TYR 24 HA TYR 24 13.683 0.834 7.344 190 HB2 TYR 24 HB2 TYR 24 13.027 -1.362 5.919 191 HB3 TYR 24 HB3 TYR 24 14.221 -2.077 7.000 192 HD1 TYR 24 HD1 TYR 24 10.972 -0.324 6.811 193 HD2 TYR 24 HD2 TYR 24 13.830 -2.229 9.393 194 HE1 TYR 24 HE1 TYR 24 9.301 -0.352 8.644 195 HE2 TYR 24 HE2 TYR 24 12.159 -2.256 11.224 196 HH TYR 24 HH TYR 24 9.236 -2.166 11.044 197 H LYS 25 H LYS 25 16.275 1.663 6.949 198 HA LYS 25 HA LYS 25 18.299 1.842 8.140 199 HB2 LYS 25 HB2 LYS 25 16.575 1.063 9.975 200 HB3 LYS 25 HB3 LYS 25 17.441 -0.470 9.866 201 HG2 LYS 25 HG2 LYS 25 19.583 0.768 10.251 202 HG3 LYS 25 HG3 LYS 25 18.642 2.239 10.504 203 HD2 LYS 25 HD2 LYS 25 17.865 1.558 12.551 204 HD3 LYS 25 HD3 LYS 25 17.803 -0.139 12.077 205 HE2 LYS 25 HE2 LYS 25 19.596 -0.094 13.619 206 HE3 LYS 25 HE3 LYS 25 20.430 0.041 12.058 207 HZ1 LYS 25 HZ1 LYS 25 20.337 2.456 12.261 208 HZ2 LYS 25 HZ2 LYS 25 21.169 1.777 13.578 209 HZ3 LYS 25 HZ3 LYS 25 19.571 2.321 13.770 Start of MODEL 21 1 HA HIS 1 HA HIS 1 -21.395 -3.764 -5.356 2 HB2 HIS 1 HB2 HIS 1 -22.982 -2.839 -7.164 3 HB3 HIS 1 HB3 HIS 1 -21.589 -1.938 -7.763 4 HD1 HIS 1 HD1 HIS 1 -19.663 -3.284 -8.854 5 HD2 HIS 1 HD2 HIS 1 -22.824 -5.666 -7.543 6 HE1 HIS 1 HE1 HIS 1 -19.284 -5.585 -9.841 7 H ALA 2 H ALA 2 -19.209 -4.205 -6.063 8 HA ALA 2 HA ALA 2 -16.899 -3.805 -6.311 9 HB1 ALA 2 HB1 ALA 2 -18.099 -1.985 -7.862 10 HB2 ALA 2 HB2 ALA 2 -16.354 -1.962 -7.601 11 HB3 ALA 2 HB3 ALA 2 -17.398 -0.879 -6.680 12 H TRP 3 H TRP 3 -15.647 -3.866 -4.503 13 HA TRP 3 HA TRP 3 -16.181 -1.911 -2.302 14 HB2 TRP 3 HB2 TRP 3 -16.336 -4.418 -1.962 15 HB3 TRP 3 HB3 TRP 3 -14.605 -4.504 -2.283 16 HD1 TRP 3 HD1 TRP 3 -13.457 -4.839 -0.041 17 HE1 TRP 3 HE1 TRP 3 -13.585 -3.729 2.283 18 HE3 TRP 3 HE3 TRP 3 -17.358 -1.628 -0.805 19 HZ2 TRP 3 HZ2 TRP 3 -15.134 -1.743 3.637 20 HZ3 TRP 3 HZ3 TRP 3 -18.136 -0.142 1.016 21 HH2 TRP 3 HH2 TRP 3 -17.030 -0.194 3.234 22 H TYR 4 H TYR 4 -14.807 -0.170 -2.422 23 HA TYR 4 HA TYR 4 -11.913 -0.708 -3.005 24 HB2 TYR 4 HB2 TYR 4 -13.717 0.596 -4.640 25 HB3 TYR 4 HB3 TYR 4 -12.972 1.934 -3.764 26 HD1 TYR 4 HD1 TYR 4 -11.997 -1.265 -5.477 27 HD2 TYR 4 HD2 TYR 4 -10.973 2.812 -4.582 28 HE1 TYR 4 HE1 TYR 4 -9.969 -1.463 -6.891 29 HE2 TYR 4 HE2 TYR 4 -8.946 2.612 -5.996 30 HH TYR 4 HH TYR 4 -7.525 -0.007 -6.812 31 H SER 5 H SER 5 -13.513 -0.298 -0.421 32 HA SER 5 HA SER 5 -12.428 2.286 0.560 33 HB2 SER 5 HB2 SER 5 -14.259 0.162 1.705 34 HB3 SER 5 HB3 SER 5 -13.775 1.600 2.598 35 HG SER 5 HG SER 5 -15.493 2.374 1.614 36 H HIS 6 H HIS 6 -11.992 -1.191 0.940 37 HA HIS 6 HA HIS 6 -9.871 -0.768 2.991 38 HB2 HIS 6 HB2 HIS 6 -11.669 -2.430 3.389 39 HB3 HIS 6 HB3 HIS 6 -11.215 -3.266 1.904 40 HD1 HIS 6 HD1 HIS 6 -9.675 -2.287 5.254 41 HD2 HIS 6 HD2 HIS 6 -9.198 -5.138 2.249 42 HE1 HIS 6 HE1 HIS 6 -7.920 -3.913 6.081 43 H TYR 7 H TYR 7 -10.368 -1.759 -0.340 44 HA TYR 7 HA TYR 7 -7.879 -3.047 -0.863 45 HB2 TYR 7 HB2 TYR 7 -9.912 -1.502 -2.462 46 HB3 TYR 7 HB3 TYR 7 -8.432 -2.061 -3.238 47 HD1 TYR 7 HD1 TYR 7 -11.454 -3.168 -1.373 48 HD2 TYR 7 HD2 TYR 7 -8.102 -4.366 -3.779 49 HE1 TYR 7 HE1 TYR 7 -12.426 -5.436 -1.598 50 HE2 TYR 7 HE2 TYR 7 -9.079 -6.635 -4.004 51 HH TYR 7 HH TYR 7 -10.997 -7.992 -2.243 52 H VAL 8 H VAL 8 -8.783 0.373 -0.788 53 HA VAL 8 HA VAL 8 -6.371 1.456 -1.891 54 HB VAL 8 HB VAL 8 -8.577 2.622 -1.528 55 HG11 VAL 8 HG11 VAL 8 -9.175 3.443 0.653 56 HG12 VAL 8 HG12 VAL 8 -7.657 2.874 1.348 57 HG13 VAL 8 HG13 VAL 8 -8.874 1.714 0.819 58 HG21 VAL 8 HG21 VAL 8 -7.595 4.780 -0.960 59 HG22 VAL 8 HG22 VAL 8 -6.445 3.865 -1.934 60 HG23 VAL 8 HG23 VAL 8 -6.221 3.986 -0.190 61 H LEU 9 H LEU 9 -7.246 0.385 1.358 62 HA LEU 9 HA LEU 9 -4.892 1.429 2.704 63 HB2 LEU 9 HB2 LEU 9 -6.984 0.906 3.866 64 HB3 LEU 9 HB3 LEU 9 -6.885 -0.774 3.346 65 HG LEU 9 HG LEU 9 -4.432 0.011 4.674 66 HD11 LEU 9 HD11 LEU 9 -5.971 1.614 5.823 67 HD12 LEU 9 HD12 LEU 9 -5.319 0.390 6.913 68 HD13 LEU 9 HD13 LEU 9 -6.972 0.248 6.316 69 HD21 LEU 9 HD21 LEU 9 -4.985 -1.974 6.041 70 HD22 LEU 9 HD22 LEU 9 -5.227 -2.306 4.326 71 HD23 LEU 9 HD23 LEU 9 -6.615 -1.985 5.367 72 H LYS 10 H LYS 10 -5.799 -1.747 1.321 73 HA LYS 10 HA LYS 10 -3.355 -3.110 2.048 74 HB2 LYS 10 HB2 LYS 10 -5.685 -3.510 0.203 75 HB3 LYS 10 HB3 LYS 10 -4.266 -4.531 -0.024 76 HG2 LYS 10 HG2 LYS 10 -4.680 -4.520 2.746 77 HG3 LYS 10 HG3 LYS 10 -6.298 -4.648 2.057 78 HD2 LYS 10 HD2 LYS 10 -5.835 -6.863 1.879 79 HD3 LYS 10 HD3 LYS 10 -4.879 -6.391 0.474 80 HE2 LYS 10 HE2 LYS 10 -3.003 -5.941 2.309 81 HE3 LYS 10 HE3 LYS 10 -3.953 -7.124 3.231 82 HZ1 LYS 10 HZ1 LYS 10 -2.456 -8.374 1.917 83 HZ2 LYS 10 HZ2 LYS 10 -2.776 -7.451 0.526 84 HZ3 LYS 10 HZ3 LYS 10 -3.960 -8.505 1.142 85 H PHE 11 H PHE 11 -4.390 -1.295 -0.840 86 HA PHE 11 HA PHE 11 -2.143 -1.900 -2.516 87 HB2 PHE 11 HB2 PHE 11 -4.447 -0.772 -2.978 88 HB3 PHE 11 HB3 PHE 11 -3.650 0.720 -2.477 89 HD1 PHE 11 HD1 PHE 11 -3.570 -2.062 -4.937 90 HD2 PHE 11 HD2 PHE 11 -2.046 1.815 -3.884 91 HE1 PHE 11 HE1 PHE 11 -2.550 -1.852 -7.188 92 HE2 PHE 11 HE2 PHE 11 -1.028 2.025 -6.136 93 HZ PHE 11 HZ PHE 11 -1.278 0.192 -7.787 94 H PHE 12 H PHE 12 -2.706 0.708 -0.130 95 HA PHE 12 HA PHE 12 -0.256 2.141 -0.622 96 HB2 PHE 12 HB2 PHE 12 -2.540 2.223 1.119 97 HB3 PHE 12 HB3 PHE 12 -1.087 2.368 2.108 98 HD1 PHE 12 HD1 PHE 12 0.684 4.088 1.412 99 HD2 PHE 12 HD2 PHE 12 -3.308 4.045 -0.177 100 HE1 PHE 12 HE1 PHE 12 0.953 6.440 0.675 101 HE2 PHE 12 HE2 PHE 12 -3.037 6.398 -0.915 102 HZ PHE 12 HZ PHE 12 -0.908 7.596 -0.488 103 H LEU 13 H LEU 13 -1.124 -0.422 1.725 104 HA LEU 13 HA LEU 13 1.365 -0.557 3.114 105 HB2 LEU 13 HB2 LEU 13 -0.977 -1.664 3.496 106 HB3 LEU 13 HB3 LEU 13 -0.358 -2.949 2.457 107 HG LEU 13 HG LEU 13 1.474 -2.072 4.617 108 HD11 LEU 13 HD11 LEU 13 -0.862 -2.058 5.644 109 HD12 LEU 13 HD12 LEU 13 0.297 -3.154 6.396 110 HD13 LEU 13 HD13 LEU 13 -0.927 -3.785 5.295 111 HD21 LEU 13 HD21 LEU 13 0.498 -4.762 3.600 112 HD22 LEU 13 HD22 LEU 13 1.799 -4.531 4.767 113 HD23 LEU 13 HD23 LEU 13 1.986 -3.952 3.111 114 H LEU 14 H LEU 14 0.336 -1.894 0.007 115 HA LEU 14 HA LEU 14 2.697 -3.594 -0.332 116 HB2 LEU 14 HB2 LEU 14 0.221 -3.725 -1.262 117 HB3 LEU 14 HB3 LEU 14 0.867 -2.694 -2.537 118 HG LEU 14 HG LEU 14 2.602 -4.979 -1.888 119 HD11 LEU 14 HD11 LEU 14 0.301 -5.953 -1.554 120 HD12 LEU 14 HD12 LEU 14 1.199 -6.681 -2.887 121 HD13 LEU 14 HD13 LEU 14 -0.071 -5.504 -3.219 122 HD21 LEU 14 HD21 LEU 14 2.776 -3.363 -3.841 123 HD22 LEU 14 HD22 LEU 14 1.324 -4.119 -4.500 124 HD23 LEU 14 HD23 LEU 14 2.795 -5.069 -4.289 125 H VAL 15 H VAL 15 1.498 -0.594 -1.854 126 HA VAL 15 HA VAL 15 3.911 -0.151 -3.418 127 HB VAL 15 HB VAL 15 1.543 1.585 -2.639 128 HG11 VAL 15 HG11 VAL 15 3.913 2.091 -4.424 129 HG12 VAL 15 HG12 VAL 15 3.140 3.178 -3.269 130 HG13 VAL 15 HG13 VAL 15 2.353 2.819 -4.806 131 HG21 VAL 15 HG21 VAL 15 1.528 -0.618 -4.205 132 HG22 VAL 15 HG22 VAL 15 2.003 0.585 -5.404 133 HG23 VAL 15 HG23 VAL 15 0.494 0.776 -4.515 134 H PHE 16 H PHE 16 2.541 1.579 -0.571 135 HA PHE 16 HA PHE 16 4.865 3.231 -0.155 136 HB2 PHE 16 HB2 PHE 16 2.358 3.325 0.697 137 HB3 PHE 16 HB3 PHE 16 3.007 2.410 2.058 138 HD1 PHE 16 HD1 PHE 16 3.259 5.586 0.162 139 HD2 PHE 16 HD2 PHE 16 4.491 3.421 3.661 140 HE1 PHE 16 HE1 PHE 16 4.192 7.672 1.123 141 HE2 PHE 16 HE2 PHE 16 5.425 5.507 4.623 142 HZ PHE 16 HZ PHE 16 5.276 7.632 3.354 143 H GLY 17 H GLY 17 3.970 -0.014 0.957 144 HA2 GLY 17 HA2 GLY 17 5.877 -0.295 3.060 145 HA3 GLY 17 HA3 GLY 17 5.217 -1.632 2.116 146 H GLU 18 H GLU 18 6.136 -0.974 -0.445 147 HA GLU 18 HA GLU 18 8.875 -1.877 -0.329 148 HB2 GLU 18 HB2 GLU 18 6.869 -1.062 -2.378 149 HB3 GLU 18 HB3 GLU 18 8.561 -1.058 -2.877 150 HG2 GLU 18 HG2 GLU 18 8.765 -3.397 -1.989 151 HG3 GLU 18 HG3 GLU 18 7.029 -3.388 -1.689 152 H ASN 19 H ASN 19 7.397 1.288 -0.387 153 HA ASN 19 HA ASN 19 9.730 2.749 -1.321 154 HB2 ASN 19 HB2 ASN 19 7.043 3.292 -0.170 155 HB3 ASN 19 HB3 ASN 19 8.247 4.560 0.057 156 HD21 ASN 19 HD21 ASN 19 6.335 2.836 -2.362 157 HD22 ASN 19 HD22 ASN 19 6.749 3.841 -3.666 158 H GLY 20 H GLY 20 8.863 1.295 1.690 159 HA2 GLY 20 HA2 GLY 20 10.956 2.889 3.109 160 HA3 GLY 20 HA3 GLY 20 9.581 2.142 3.916 161 H VAL 21 H VAL 21 9.746 -0.410 2.475 162 HA VAL 21 HA VAL 21 11.993 -1.570 4.019 163 HB VAL 21 HB VAL 21 9.618 -2.694 2.509 164 HG11 VAL 21 HG11 VAL 21 11.772 -4.146 4.075 165 HG12 VAL 21 HG12 VAL 21 11.427 -4.319 2.353 166 HG13 VAL 21 HG13 VAL 21 10.257 -4.879 3.548 167 HG21 VAL 21 HG21 VAL 21 10.279 -2.750 5.467 168 HG22 VAL 21 HG22 VAL 21 8.751 -3.190 4.706 169 HG23 VAL 21 HG23 VAL 21 9.274 -1.507 4.723 170 H PHE 22 H PHE 22 10.866 -1.401 0.650 171 HA PHE 22 HA PHE 22 13.339 -2.766 -0.271 172 HB2 PHE 22 HB2 PHE 22 10.695 -1.974 -1.492 173 HB3 PHE 22 HB3 PHE 22 12.034 -2.525 -2.499 174 HD1 PHE 22 HD1 PHE 22 9.686 -3.485 0.198 175 HD2 PHE 22 HD2 PHE 22 12.775 -4.827 -2.470 176 HE1 PHE 22 HE1 PHE 22 9.146 -5.839 0.757 177 HE2 PHE 22 HE2 PHE 22 12.234 -7.181 -1.910 178 HZ PHE 22 HZ PHE 22 10.419 -7.688 -0.297 179 H PHE 23 H PHE 23 12.225 0.424 0.218 180 HA PHE 23 HA PHE 23 14.326 1.473 -1.650 181 HB2 PHE 23 HB2 PHE 23 11.713 1.720 -2.094 182 HB3 PHE 23 HB3 PHE 23 11.872 3.043 -0.942 183 HD1 PHE 23 HD1 PHE 23 13.341 1.676 -4.100 184 HD2 PHE 23 HD2 PHE 23 12.719 5.134 -1.627 185 HE1 PHE 23 HE1 PHE 23 14.274 3.122 -5.886 186 HE2 PHE 23 HE2 PHE 23 13.652 6.578 -3.412 187 HZ PHE 23 HZ PHE 23 14.430 5.573 -5.542 188 H TYR 24 H TYR 24 14.146 0.892 1.423 189 HA TYR 24 HA TYR 24 15.502 3.383 2.238 190 HB2 TYR 24 HB2 TYR 24 12.742 3.096 2.550 191 HB3 TYR 24 HB3 TYR 24 13.389 2.702 4.143 192 HD1 TYR 24 HD1 TYR 24 14.830 4.344 5.351 193 HD2 TYR 24 HD2 TYR 24 12.868 5.322 1.656 194 HE1 TYR 24 HE1 TYR 24 15.216 6.755 5.784 195 HE2 TYR 24 HE2 TYR 24 13.253 7.734 2.091 196 HH TYR 24 HH TYR 24 15.320 8.979 3.822 197 H LYS 25 H LYS 25 16.233 0.512 2.037 198 HA LYS 25 HA LYS 25 17.055 0.091 4.883 199 HB2 LYS 25 HB2 LYS 25 15.546 -1.724 3.014 200 HB3 LYS 25 HB3 LYS 25 16.588 -2.424 4.253 201 HG2 LYS 25 HG2 LYS 25 15.379 -1.057 5.970 202 HG3 LYS 25 HG3 LYS 25 14.274 -0.516 4.706 203 HD2 LYS 25 HD2 LYS 25 13.150 -2.347 5.686 204 HD3 LYS 25 HD3 LYS 25 13.890 -3.033 4.239 205 HE2 LYS 25 HE2 LYS 25 15.724 -3.961 5.541 206 HE3 LYS 25 HE3 LYS 25 15.147 -3.143 7.006 207 HZ1 LYS 25 HZ1 LYS 25 13.552 -5.088 5.419 208 HZ2 LYS 25 HZ2 LYS 25 13.089 -4.356 6.880 209 HZ3 LYS 25 HZ3 LYS 25 14.373 -5.469 6.853 Start of MODEL 22 1 HA HIS 1 HA HIS 1 -19.106 -2.141 5.457 2 HB2 HIS 1 HB2 HIS 1 -19.456 -4.964 4.959 3 HB3 HIS 1 HB3 HIS 1 -18.048 -4.386 4.071 4 HD1 HIS 1 HD1 HIS 1 -19.213 -5.226 7.460 5 HD2 HIS 1 HD2 HIS 1 -16.070 -3.052 5.794 6 HE1 HIS 1 HE1 HIS 1 -17.520 -4.878 9.311 7 H ALA 2 H ALA 2 -17.553 -1.184 4.046 8 HA ALA 2 HA ALA 2 -18.512 -0.650 1.306 9 HB1 ALA 2 HB1 ALA 2 -15.978 0.281 2.684 10 HB2 ALA 2 HB2 ALA 2 -17.549 1.028 2.977 11 HB3 ALA 2 HB3 ALA 2 -16.837 1.075 1.364 12 H TRP 3 H TRP 3 -17.698 -1.650 -0.510 13 HA TRP 3 HA TRP 3 -15.606 -3.721 -0.186 14 HB2 TRP 3 HB2 TRP 3 -17.933 -3.649 -1.517 15 HB3 TRP 3 HB3 TRP 3 -16.885 -3.046 -2.800 16 HD1 TRP 3 HD1 TRP 3 -17.205 -6.054 -0.410 17 HE1 TRP 3 HE1 TRP 3 -16.103 -8.098 -1.529 18 HE3 TRP 3 HE3 TRP 3 -15.316 -3.849 -4.612 19 HZ2 TRP 3 HZ2 TRP 3 -14.617 -8.716 -3.893 20 HZ3 TRP 3 HZ3 TRP 3 -14.064 -5.188 -6.278 21 HH2 TRP 3 HH2 TRP 3 -13.712 -7.617 -5.925 22 H TYR 4 H TYR 4 -15.310 -0.493 -0.565 23 HA TYR 4 HA TYR 4 -13.004 -0.752 -2.466 24 HB2 TYR 4 HB2 TYR 4 -13.605 1.512 -3.259 25 HB3 TYR 4 HB3 TYR 4 -14.959 0.402 -3.455 26 HD1 TYR 4 HD1 TYR 4 -13.628 3.240 -1.499 27 HD2 TYR 4 HD2 TYR 4 -16.972 0.610 -2.099 28 HE1 TYR 4 HE1 TYR 4 -15.049 4.731 -0.120 29 HE2 TYR 4 HE2 TYR 4 -18.391 2.101 -0.718 30 HH TYR 4 HH TYR 4 -17.168 4.478 1.282 31 H SER 5 H SER 5 -13.402 -0.628 0.661 32 HA SER 5 HA SER 5 -11.653 1.733 1.201 33 HB2 SER 5 HB2 SER 5 -13.940 1.239 2.332 34 HB3 SER 5 HB3 SER 5 -13.062 -0.001 3.225 35 HG SER 5 HG SER 5 -12.797 2.793 3.267 36 H HIS 6 H HIS 6 -11.683 -1.750 1.181 37 HA HIS 6 HA HIS 6 -9.303 -1.980 2.910 38 HB2 HIS 6 HB2 HIS 6 -11.474 -3.567 2.358 39 HB3 HIS 6 HB3 HIS 6 -10.240 -4.296 1.330 40 HD1 HIS 6 HD1 HIS 6 -10.911 -3.421 4.955 41 HD2 HIS 6 HD2 HIS 6 -8.272 -5.741 2.710 42 HE1 HIS 6 HE1 HIS 6 -9.577 -4.794 6.612 43 H TYR 7 H TYR 7 -10.132 -2.190 -0.524 44 HA TYR 7 HA TYR 7 -7.572 -3.179 -1.422 45 HB2 TYR 7 HB2 TYR 7 -9.772 -1.581 -2.774 46 HB3 TYR 7 HB3 TYR 7 -8.426 -2.326 -3.636 47 HD1 TYR 7 HD1 TYR 7 -8.023 -4.917 -2.754 48 HD2 TYR 7 HD2 TYR 7 -11.755 -2.790 -2.849 49 HE1 TYR 7 HE1 TYR 7 -9.252 -7.070 -2.808 50 HE2 TYR 7 HE2 TYR 7 -12.981 -4.943 -2.903 51 HH TYR 7 HH TYR 7 -12.308 -7.461 -2.037 52 H VAL 8 H VAL 8 -8.929 0.085 -1.058 53 HA VAL 8 HA VAL 8 -6.655 1.493 -2.123 54 HB VAL 8 HB VAL 8 -9.006 2.359 -1.813 55 HG11 VAL 8 HG11 VAL 8 -8.197 2.740 1.079 56 HG12 VAL 8 HG12 VAL 8 -9.205 1.398 0.537 57 HG13 VAL 8 HG13 VAL 8 -9.769 3.058 0.348 58 HG21 VAL 8 HG21 VAL 8 -7.286 3.974 -2.261 59 HG22 VAL 8 HG22 VAL 8 -6.689 3.890 -0.603 60 HG23 VAL 8 HG23 VAL 8 -8.256 4.626 -0.941 61 H LEU 9 H LEU 9 -7.441 0.205 1.063 62 HA LEU 9 HA LEU 9 -5.210 1.550 2.419 63 HB2 LEU 9 HB2 LEU 9 -7.593 0.445 3.178 64 HB3 LEU 9 HB3 LEU 9 -6.486 -0.867 3.581 65 HG LEU 9 HG LEU 9 -5.064 1.128 4.626 66 HD11 LEU 9 HD11 LEU 9 -7.925 2.127 4.606 67 HD12 LEU 9 HD12 LEU 9 -6.499 2.947 3.968 68 HD13 LEU 9 HD13 LEU 9 -6.693 2.740 5.709 69 HD21 LEU 9 HD21 LEU 9 -5.930 -0.824 5.859 70 HD22 LEU 9 HD22 LEU 9 -7.525 -0.075 5.936 71 HD23 LEU 9 HD23 LEU 9 -6.167 0.653 6.793 72 H LYS 10 H LYS 10 -5.916 -1.697 1.107 73 HA LYS 10 HA LYS 10 -3.471 -2.949 2.000 74 HB2 LYS 10 HB2 LYS 10 -5.573 -4.098 1.292 75 HB3 LYS 10 HB3 LYS 10 -5.286 -3.560 -0.362 76 HG2 LYS 10 HG2 LYS 10 -4.252 -5.596 -0.536 77 HG3 LYS 10 HG3 LYS 10 -2.892 -4.714 0.157 78 HD2 LYS 10 HD2 LYS 10 -3.331 -5.534 2.342 79 HD3 LYS 10 HD3 LYS 10 -4.950 -6.079 1.898 80 HE2 LYS 10 HE2 LYS 10 -3.872 -8.119 1.743 81 HE3 LYS 10 HE3 LYS 10 -3.478 -7.520 0.121 82 HZ1 LYS 10 HZ1 LYS 10 -1.825 -7.177 2.572 83 HZ2 LYS 10 HZ2 LYS 10 -1.469 -6.491 1.059 84 HZ3 LYS 10 HZ3 LYS 10 -1.460 -8.180 1.254 85 H PHE 11 H PHE 11 -4.431 -1.411 -1.093 86 HA PHE 11 HA PHE 11 -1.930 -1.862 -2.452 87 HB2 PHE 11 HB2 PHE 11 -4.062 -1.344 -3.567 88 HB3 PHE 11 HB3 PHE 11 -4.103 0.237 -2.787 89 HD1 PHE 11 HD1 PHE 11 -2.006 -1.878 -5.057 90 HD2 PHE 11 HD2 PHE 11 -3.068 2.089 -3.798 91 HE1 PHE 11 HE1 PHE 11 -0.640 -0.929 -6.895 92 HE2 PHE 11 HE2 PHE 11 -1.700 3.038 -5.635 93 HZ PHE 11 HZ PHE 11 -0.486 1.529 -7.184 94 H PHE 12 H PHE 12 -3.207 0.970 -0.654 95 HA PHE 12 HA PHE 12 -0.956 2.692 -1.029 96 HB2 PHE 12 HB2 PHE 12 -3.263 3.256 -0.176 97 HB3 PHE 12 HB3 PHE 12 -2.830 2.493 1.352 98 HD1 PHE 12 HD1 PHE 12 -1.872 5.220 -1.006 99 HD2 PHE 12 HD2 PHE 12 -1.547 3.649 2.979 100 HE1 PHE 12 HE1 PHE 12 -0.782 7.321 -0.267 101 HE2 PHE 12 HE2 PHE 12 -0.455 5.750 3.718 102 HZ PHE 12 HZ PHE 12 -0.073 7.586 2.095 103 H LEU 13 H LEU 13 -1.707 0.394 1.623 104 HA LEU 13 HA LEU 13 0.687 0.910 3.145 105 HB2 LEU 13 HB2 LEU 13 -1.538 -0.216 3.803 106 HB3 LEU 13 HB3 LEU 13 -0.884 -1.673 3.054 107 HG LEU 13 HG LEU 13 1.217 -1.162 4.555 108 HD11 LEU 13 HD11 LEU 13 0.613 0.965 5.448 109 HD12 LEU 13 HD12 LEU 13 0.374 -0.179 6.769 110 HD13 LEU 13 HD13 LEU 13 -1.013 0.416 5.855 111 HD21 LEU 13 HD21 LEU 13 -0.254 -3.142 4.767 112 HD22 LEU 13 HD22 LEU 13 -1.390 -2.193 5.725 113 HD23 LEU 13 HD23 LEU 13 0.223 -2.533 6.351 114 H LEU 14 H LEU 14 -0.100 -1.475 0.598 115 HA LEU 14 HA LEU 14 2.306 -3.021 0.793 116 HB2 LEU 14 HB2 LEU 14 0.030 -3.358 -0.481 117 HB3 LEU 14 HB3 LEU 14 0.855 -2.515 -1.792 118 HG LEU 14 HG LEU 14 2.746 -4.185 -1.543 119 HD11 LEU 14 HD11 LEU 14 2.366 -5.019 0.676 120 HD12 LEU 14 HD12 LEU 14 2.027 -6.357 -0.421 121 HD13 LEU 14 HD13 LEU 14 0.698 -5.449 0.298 122 HD21 LEU 14 HD21 LEU 14 1.683 -5.783 -2.934 123 HD22 LEU 14 HD22 LEU 14 0.761 -4.303 -3.201 124 HD23 LEU 14 HD23 LEU 14 0.123 -5.562 -2.142 125 H VAL 15 H VAL 15 1.513 -0.110 -1.088 126 HA VAL 15 HA VAL 15 3.977 0.010 -2.586 127 HB VAL 15 HB VAL 15 1.874 2.031 -1.749 128 HG11 VAL 15 HG11 VAL 15 2.948 3.413 -3.655 129 HG12 VAL 15 HG12 VAL 15 4.369 2.397 -3.412 130 HG13 VAL 15 HG13 VAL 15 3.771 3.407 -2.095 131 HG21 VAL 15 HG21 VAL 15 1.144 1.826 -4.058 132 HG22 VAL 15 HG22 VAL 15 1.280 0.206 -3.376 133 HG23 VAL 15 HG23 VAL 15 2.537 0.818 -4.450 134 H PHE 16 H PHE 16 2.937 1.459 0.510 135 HA PHE 16 HA PHE 16 5.263 3.027 1.035 136 HB2 PHE 16 HB2 PHE 16 2.881 2.028 2.402 137 HB3 PHE 16 HB3 PHE 16 4.267 2.123 3.490 138 HD1 PHE 16 HD1 PHE 16 2.295 4.089 1.000 139 HD2 PHE 16 HD2 PHE 16 5.040 4.205 4.303 140 HE1 PHE 16 HE1 PHE 16 2.035 6.552 1.131 141 HE2 PHE 16 HE2 PHE 16 4.778 6.667 4.433 142 HZ PHE 16 HZ PHE 16 3.275 7.841 2.848 143 H GLY 17 H GLY 17 4.535 -0.393 1.803 144 HA2 GLY 17 HA2 GLY 17 6.883 -0.889 3.368 145 HA3 GLY 17 HA3 GLY 17 5.947 -2.127 2.527 146 H GLU 18 H GLU 18 6.232 -1.427 -0.116 147 HA GLU 18 HA GLU 18 8.901 -2.334 -0.729 148 HB2 GLU 18 HB2 GLU 18 6.451 -1.423 -2.173 149 HB3 GLU 18 HB3 GLU 18 7.961 -1.422 -3.085 150 HG2 GLU 18 HG2 GLU 18 8.254 -3.736 -2.861 151 HG3 GLU 18 HG3 GLU 18 7.202 -3.829 -1.449 152 H ASN 19 H ASN 19 7.308 0.847 -0.991 153 HA ASN 19 HA ASN 19 9.480 2.317 -2.106 154 HB2 ASN 19 HB2 ASN 19 7.074 2.903 -0.405 155 HB3 ASN 19 HB3 ASN 19 8.258 4.185 -0.652 156 HD21 ASN 19 HD21 ASN 19 6.207 5.129 -1.829 157 HD22 ASN 19 HD22 ASN 19 6.054 4.756 -3.477 158 H GLY 20 H GLY 20 8.725 1.423 1.232 159 HA2 GLY 20 HA2 GLY 20 10.874 2.968 2.422 160 HA3 GLY 20 HA3 GLY 20 9.933 1.711 3.229 161 H VAL 21 H VAL 21 10.433 -0.525 1.681 162 HA VAL 21 HA VAL 21 13.064 -1.316 2.550 163 HB VAL 21 HB VAL 21 10.988 -2.465 0.672 164 HG11 VAL 21 HG11 VAL 21 13.682 -3.571 1.483 165 HG12 VAL 21 HG12 VAL 21 12.991 -3.452 -0.136 166 HG13 VAL 21 HG13 VAL 21 12.351 -4.628 1.011 167 HG21 VAL 21 HG21 VAL 21 10.242 -3.645 2.507 168 HG22 VAL 21 HG22 VAL 21 10.912 -2.249 3.350 169 HG23 VAL 21 HG23 VAL 21 11.848 -3.740 3.229 170 H PHE 22 H PHE 22 11.853 0.005 -0.478 171 HA PHE 22 HA PHE 22 13.999 -0.674 -2.223 172 HB2 PHE 22 HB2 PHE 22 11.718 0.349 -2.724 173 HB3 PHE 22 HB3 PHE 22 12.393 1.894 -2.210 174 HD1 PHE 22 HD1 PHE 22 14.266 2.932 -3.473 175 HD2 PHE 22 HD2 PHE 22 12.337 -0.661 -4.826 176 HE1 PHE 22 HE1 PHE 22 15.265 3.241 -5.721 177 HE2 PHE 22 HE2 PHE 22 13.338 -0.349 -7.075 178 HZ PHE 22 HZ PHE 22 14.802 1.602 -7.522 179 H PHE 23 H PHE 23 13.699 1.904 0.179 180 HA PHE 23 HA PHE 23 16.430 2.885 -0.564 181 HB2 PHE 23 HB2 PHE 23 14.064 4.141 0.852 182 HB3 PHE 23 HB3 PHE 23 15.645 4.916 0.762 183 HD1 PHE 23 HD1 PHE 23 16.690 5.165 -1.623 184 HD2 PHE 23 HD2 PHE 23 12.521 4.436 -0.891 185 HE1 PHE 23 HE1 PHE 23 16.143 6.011 -3.889 186 HE2 PHE 23 HE2 PHE 23 11.975 5.282 -3.155 187 HZ PHE 23 HZ PHE 23 13.785 6.070 -4.655 188 H TYR 24 H TYR 24 14.590 3.060 2.476 189 HA TYR 24 HA TYR 24 15.216 2.552 4.694 190 HB2 TYR 24 HB2 TYR 24 15.400 0.331 3.025 191 HB3 TYR 24 HB3 TYR 24 16.920 0.301 3.915 192 HD1 TYR 24 HD1 TYR 24 16.905 0.277 6.420 193 HD2 TYR 24 HD2 TYR 24 13.306 -0.112 4.106 194 HE1 TYR 24 HE1 TYR 24 15.715 -0.591 8.415 195 HE2 TYR 24 HE2 TYR 24 12.118 -0.981 6.100 196 HH TYR 24 HH TYR 24 13.076 -2.275 8.392 197 H LYS 25 H LYS 25 16.940 4.464 3.340 198 HA LYS 25 HA LYS 25 19.034 5.513 3.584 199 HB2 LYS 25 HB2 LYS 25 18.493 3.974 6.102 200 HB3 LYS 25 HB3 LYS 25 20.069 4.744 5.921 201 HG2 LYS 25 HG2 LYS 25 18.789 6.874 5.292 202 HG3 LYS 25 HG3 LYS 25 17.346 6.056 5.892 203 HD2 LYS 25 HD2 LYS 25 18.010 6.194 8.077 204 HD3 LYS 25 HD3 LYS 25 19.714 5.969 7.680 205 HE2 LYS 25 HE2 LYS 25 19.893 8.286 6.918 206 HE3 LYS 25 HE3 LYS 25 18.154 8.531 7.174 207 HZ1 LYS 25 HZ1 LYS 25 20.106 7.724 9.272 208 HZ2 LYS 25 HZ2 LYS 25 18.440 7.974 9.504 209 HZ3 LYS 25 HZ3 LYS 25 19.449 9.278 9.095 Start of MODEL 23 1 HA HIS 1 HA HIS 1 -20.579 5.223 -4.915 2 HB2 HIS 1 HB2 HIS 1 -17.748 5.457 -5.911 3 HB3 HIS 1 HB3 HIS 1 -18.930 4.569 -6.871 4 HD1 HIS 1 HD1 HIS 1 -17.781 7.957 -6.127 5 HD2 HIS 1 HD2 HIS 1 -21.308 6.232 -7.528 6 HE1 HIS 1 HE1 HIS 1 -19.139 9.833 -7.151 7 H ALA 2 H ALA 2 -17.438 3.470 -4.768 8 HA ALA 2 HA ALA 2 -18.984 0.921 -4.438 9 HB1 ALA 2 HB1 ALA 2 -16.292 1.639 -5.624 10 HB2 ALA 2 HB2 ALA 2 -17.694 0.963 -6.455 11 HB3 ALA 2 HB3 ALA 2 -16.774 -0.031 -5.325 12 H TRP 3 H TRP 3 -17.695 -0.781 -3.152 13 HA TRP 3 HA TRP 3 -16.762 0.452 -0.617 14 HB2 TRP 3 HB2 TRP 3 -17.969 -2.079 -1.560 15 HB3 TRP 3 HB3 TRP 3 -16.777 -2.276 -0.276 16 HD1 TRP 3 HD1 TRP 3 -20.182 -0.746 -1.006 17 HE1 TRP 3 HE1 TRP 3 -21.281 -0.046 1.217 18 HE3 TRP 3 HE3 TRP 3 -16.275 -1.515 2.188 19 HZ2 TRP 3 HZ2 TRP 3 -20.594 0.159 3.988 20 HZ3 TRP 3 HZ3 TRP 3 -16.522 -1.060 4.611 21 HH2 TRP 3 HH2 TRP 3 -18.676 -0.225 5.514 22 H TYR 4 H TYR 4 -14.741 1.134 -1.985 23 HA TYR 4 HA TYR 4 -12.747 -1.100 -2.094 24 HB2 TYR 4 HB2 TYR 4 -11.587 0.308 -3.723 25 HB3 TYR 4 HB3 TYR 4 -13.278 0.153 -4.190 26 HD1 TYR 4 HD1 TYR 4 -10.764 2.413 -2.654 27 HD2 TYR 4 HD2 TYR 4 -14.758 2.057 -4.198 28 HE1 TYR 4 HE1 TYR 4 -11.000 4.880 -2.615 29 HE2 TYR 4 HE2 TYR 4 -14.992 4.525 -4.157 30 HH TYR 4 HH TYR 4 -13.223 6.543 -4.266 31 H SER 5 H SER 5 -13.668 1.016 0.159 32 HA SER 5 HA SER 5 -11.444 2.633 0.845 33 HB2 SER 5 HB2 SER 5 -13.760 2.625 1.837 34 HB3 SER 5 HB3 SER 5 -13.325 1.159 2.710 35 HG SER 5 HG SER 5 -11.716 2.315 3.769 36 H HIS 6 H HIS 6 -12.034 -0.800 1.437 37 HA HIS 6 HA HIS 6 -9.628 -1.092 3.107 38 HB2 HIS 6 HB2 HIS 6 -11.931 -2.735 2.174 39 HB3 HIS 6 HB3 HIS 6 -10.447 -3.615 2.540 40 HD1 HIS 6 HD1 HIS 6 -12.533 -0.872 4.210 41 HD2 HIS 6 HD2 HIS 6 -10.278 -4.231 5.216 42 HE1 HIS 6 HE1 HIS 6 -12.712 -1.130 6.723 43 H TYR 7 H TYR 7 -10.635 -1.741 -0.219 44 HA TYR 7 HA TYR 7 -8.337 -3.248 -1.047 45 HB2 TYR 7 HB2 TYR 7 -10.514 -1.631 -2.327 46 HB3 TYR 7 HB3 TYR 7 -9.143 -2.112 -3.325 47 HD1 TYR 7 HD1 TYR 7 -8.462 -4.616 -3.275 48 HD2 TYR 7 HD2 TYR 7 -12.263 -3.149 -1.911 49 HE1 TYR 7 HE1 TYR 7 -9.423 -6.891 -3.508 50 HE2 TYR 7 HE2 TYR 7 -13.223 -5.424 -2.145 51 HH TYR 7 HH TYR 7 -11.927 -7.978 -2.103 52 H VAL 8 H VAL 8 -9.078 0.236 -1.233 53 HA VAL 8 HA VAL 8 -6.583 1.022 -2.420 54 HB VAL 8 HB VAL 8 -8.769 2.320 -2.251 55 HG11 VAL 8 HG11 VAL 8 -9.281 3.526 -0.253 56 HG12 VAL 8 HG12 VAL 8 -7.739 3.096 0.486 57 HG13 VAL 8 HG13 VAL 8 -8.978 1.864 0.251 58 HG21 VAL 8 HG21 VAL 8 -6.296 3.769 -1.256 59 HG22 VAL 8 HG22 VAL 8 -7.657 4.488 -2.118 60 HG23 VAL 8 HG23 VAL 8 -6.596 3.345 -2.941 61 H LEU 9 H LEU 9 -7.541 0.318 0.886 62 HA LEU 9 HA LEU 9 -5.247 1.524 2.194 63 HB2 LEU 9 HB2 LEU 9 -7.579 0.787 3.095 64 HB3 LEU 9 HB3 LEU 9 -6.867 -0.823 3.194 65 HG LEU 9 HG LEU 9 -4.946 0.296 4.494 66 HD11 LEU 9 HD11 LEU 9 -7.055 2.472 4.568 67 HD12 LEU 9 HD12 LEU 9 -5.395 2.613 3.990 68 HD13 LEU 9 HD13 LEU 9 -5.713 2.380 5.709 69 HD21 LEU 9 HD21 LEU 9 -6.332 -1.086 5.780 70 HD22 LEU 9 HD22 LEU 9 -7.763 -0.102 5.475 71 HD23 LEU 9 HD23 LEU 9 -6.521 0.468 6.590 72 H LYS 10 H LYS 10 -5.991 -1.704 0.875 73 HA LYS 10 HA LYS 10 -3.639 -3.041 1.888 74 HB2 LYS 10 HB2 LYS 10 -5.924 -3.533 0.157 75 HB3 LYS 10 HB3 LYS 10 -4.462 -4.237 -0.533 76 HG2 LYS 10 HG2 LYS 10 -5.280 -5.940 0.879 77 HG3 LYS 10 HG3 LYS 10 -4.026 -5.166 1.847 78 HD2 LYS 10 HD2 LYS 10 -6.826 -4.115 2.039 79 HD3 LYS 10 HD3 LYS 10 -6.436 -5.624 2.866 80 HE2 LYS 10 HE2 LYS 10 -4.337 -4.239 3.731 81 HE3 LYS 10 HE3 LYS 10 -5.399 -2.857 3.394 82 HZ1 LYS 10 HZ1 LYS 10 -5.714 -3.786 5.650 83 HZ2 LYS 10 HZ2 LYS 10 -6.208 -5.255 4.955 84 HZ3 LYS 10 HZ3 LYS 10 -7.125 -3.844 4.710 85 H PHE 11 H PHE 11 -4.364 -1.397 -1.207 86 HA PHE 11 HA PHE 11 -1.854 -1.957 -2.491 87 HB2 PHE 11 HB2 PHE 11 -4.084 -1.094 -3.441 88 HB3 PHE 11 HB3 PHE 11 -3.589 0.498 -2.865 89 HD1 PHE 11 HD1 PHE 11 -2.456 -2.365 -4.989 90 HD2 PHE 11 HD2 PHE 11 -2.118 1.832 -4.137 91 HE1 PHE 11 HE1 PHE 11 -1.047 -2.069 -7.008 92 HE2 PHE 11 HE2 PHE 11 -0.709 2.128 -6.156 93 HZ PHE 11 HZ PHE 11 -0.174 0.177 -7.592 94 H PHE 12 H PHE 12 -2.939 0.738 -0.412 95 HA PHE 12 HA PHE 12 -0.612 2.392 -0.673 96 HB2 PHE 12 HB2 PHE 12 -2.977 2.095 1.072 97 HB3 PHE 12 HB3 PHE 12 -1.591 2.842 1.864 98 HD1 PHE 12 HD1 PHE 12 -3.589 3.017 -1.305 99 HD2 PHE 12 HD2 PHE 12 -1.155 5.119 1.543 100 HE1 PHE 12 HE1 PHE 12 -4.062 5.149 -2.476 101 HE2 PHE 12 HE2 PHE 12 -1.628 7.252 0.370 102 HZ PHE 12 HZ PHE 12 -3.082 7.267 -1.638 103 H LEU 13 H LEU 13 -1.444 -0.166 1.689 104 HA LEU 13 HA LEU 13 0.909 0.021 3.307 105 HB2 LEU 13 HB2 LEU 13 -1.299 -1.216 3.699 106 HB3 LEU 13 HB3 LEU 13 -0.672 -2.479 2.639 107 HG LEU 13 HG LEU 13 1.374 -1.830 4.529 108 HD11 LEU 13 HD11 LEU 13 0.370 -1.980 6.622 109 HD12 LEU 13 HD12 LEU 13 -1.072 -2.775 5.988 110 HD13 LEU 13 HD13 LEU 13 -0.840 -1.043 5.745 111 HD21 LEU 13 HD21 LEU 13 -0.448 -4.244 4.257 112 HD22 LEU 13 HD22 LEU 13 1.079 -4.213 5.138 113 HD23 LEU 13 HD23 LEU 13 1.066 -3.994 3.388 114 H LEU 14 H LEU 14 0.199 -1.891 0.372 115 HA LEU 14 HA LEU 14 2.670 -3.355 0.288 116 HB2 LEU 14 HB2 LEU 14 0.382 -3.601 -0.973 117 HB3 LEU 14 HB3 LEU 14 1.103 -2.485 -2.134 118 HG LEU 14 HG LEU 14 2.823 -4.754 -1.301 119 HD11 LEU 14 HD11 LEU 14 1.694 -6.404 -2.621 120 HD12 LEU 14 HD12 LEU 14 0.542 -5.219 -3.237 121 HD13 LEU 14 HD13 LEU 14 0.476 -5.716 -1.545 122 HD21 LEU 14 HD21 LEU 14 2.565 -2.854 -3.443 123 HD22 LEU 14 HD22 LEU 14 2.497 -4.480 -4.119 124 HD23 LEU 14 HD23 LEU 14 3.879 -3.991 -3.140 125 H VAL 15 H VAL 15 1.665 -0.263 -1.138 126 HA VAL 15 HA VAL 15 4.138 0.241 -2.561 127 HB VAL 15 HB VAL 15 1.785 1.916 -1.635 128 HG11 VAL 15 HG11 VAL 15 3.689 3.427 -1.766 129 HG12 VAL 15 HG12 VAL 15 2.669 3.679 -3.182 130 HG13 VAL 15 HG13 VAL 15 4.162 2.752 -3.325 131 HG21 VAL 15 HG21 VAL 15 2.628 1.233 -4.453 132 HG22 VAL 15 HG22 VAL 15 1.039 1.735 -3.876 133 HG23 VAL 15 HG23 VAL 15 1.645 0.123 -3.499 134 H PHE 16 H PHE 16 2.834 1.345 0.588 135 HA PHE 16 HA PHE 16 4.977 3.064 1.341 136 HB2 PHE 16 HB2 PHE 16 2.638 2.648 2.363 137 HB3 PHE 16 HB3 PHE 16 3.392 1.305 3.222 138 HD1 PHE 16 HD1 PHE 16 3.318 4.973 2.805 139 HD2 PHE 16 HD2 PHE 16 5.027 1.688 4.983 140 HE1 PHE 16 HE1 PHE 16 4.217 6.557 4.491 141 HE2 PHE 16 HE2 PHE 16 5.925 3.270 6.667 142 HZ PHE 16 HZ PHE 16 5.520 5.705 6.422 143 H GLY 17 H GLY 17 4.642 -0.469 1.592 144 HA2 GLY 17 HA2 GLY 17 6.984 -0.824 3.273 145 HA3 GLY 17 HA3 GLY 17 6.147 -2.099 2.388 146 H GLU 18 H GLU 18 6.374 -1.382 -0.222 147 HA GLU 18 HA GLU 18 9.074 -2.053 -0.895 148 HB2 GLU 18 HB2 GLU 18 6.629 -1.955 -2.147 149 HB3 GLU 18 HB3 GLU 18 7.469 -0.605 -2.910 150 HG2 GLU 18 HG2 GLU 18 8.654 -3.383 -2.657 151 HG3 GLU 18 HG3 GLU 18 7.787 -2.818 -4.084 152 H ASN 19 H ASN 19 7.349 1.069 -1.029 153 HA ASN 19 HA ASN 19 9.505 2.653 -2.024 154 HB2 ASN 19 HB2 ASN 19 6.984 3.099 -0.466 155 HB3 ASN 19 HB3 ASN 19 8.126 4.435 -0.602 156 HD21 ASN 19 HD21 ASN 19 6.379 2.051 -2.673 157 HD22 ASN 19 HD22 ASN 19 6.264 3.084 -4.014 158 H GLY 20 H GLY 20 8.727 1.510 1.207 159 HA2 GLY 20 HA2 GLY 20 10.717 3.186 2.532 160 HA3 GLY 20 HA3 GLY 20 9.791 1.885 3.282 161 H VAL 21 H VAL 21 10.534 -0.172 1.346 162 HA VAL 21 HA VAL 21 12.797 -1.313 2.526 163 HB VAL 21 HB VAL 21 11.588 -1.522 -0.237 164 HG11 VAL 21 HG11 VAL 21 13.855 -2.216 -0.590 165 HG12 VAL 21 HG12 VAL 21 12.917 -3.695 -0.385 166 HG13 VAL 21 HG13 VAL 21 13.900 -3.083 0.946 167 HG21 VAL 21 HG21 VAL 21 10.257 -3.103 0.702 168 HG22 VAL 21 HG22 VAL 21 10.772 -2.428 2.248 169 HG23 VAL 21 HG23 VAL 21 11.601 -3.833 1.579 170 H PHE 22 H PHE 22 12.764 0.828 -0.343 171 HA PHE 22 HA PHE 22 15.753 0.898 -0.210 172 HB2 PHE 22 HB2 PHE 22 15.611 1.688 -2.534 173 HB3 PHE 22 HB3 PHE 22 14.704 0.194 -2.334 174 HD1 PHE 22 HD1 PHE 22 14.264 3.922 -2.317 175 HD2 PHE 22 HD2 PHE 22 12.462 0.084 -3.010 176 HE1 PHE 22 HE1 PHE 22 12.235 5.035 -3.204 177 HE2 PHE 22 HE2 PHE 22 10.433 1.199 -3.895 178 HZ PHE 22 HZ PHE 22 10.319 3.673 -3.993 179 H PHE 23 H PHE 23 13.347 2.628 1.140 180 HA PHE 23 HA PHE 23 14.986 5.054 1.341 181 HB2 PHE 23 HB2 PHE 23 13.533 5.069 -0.823 182 HB3 PHE 23 HB3 PHE 23 12.185 5.366 0.272 183 HD1 PHE 23 HD1 PHE 23 15.497 6.660 -0.833 184 HD2 PHE 23 HD2 PHE 23 11.853 7.504 1.281 185 HE1 PHE 23 HE1 PHE 23 16.125 9.056 -0.706 186 HE2 PHE 23 HE2 PHE 23 12.482 9.899 1.408 187 HZ PHE 23 HZ PHE 23 14.617 10.676 0.415 188 H TYR 24 H TYR 24 14.753 3.991 3.548 189 HA TYR 24 HA TYR 24 12.548 5.294 5.034 190 HB2 TYR 24 HB2 TYR 24 11.904 2.951 4.173 191 HB3 TYR 24 HB3 TYR 24 13.054 2.328 5.353 192 HD1 TYR 24 HD1 TYR 24 9.934 4.286 4.908 193 HD2 TYR 24 HD2 TYR 24 12.559 2.363 7.713 194 HE1 TYR 24 HE1 TYR 24 8.228 4.551 6.687 195 HE2 TYR 24 HE2 TYR 24 10.852 2.629 9.491 196 HH TYR 24 HH TYR 24 7.875 3.010 9.137 197 H LYS 25 H LYS 25 14.695 6.398 5.554 198 HA LYS 25 HA LYS 25 16.154 4.939 7.736 199 HB2 LYS 25 HB2 LYS 25 18.116 6.158 7.044 200 HB3 LYS 25 HB3 LYS 25 17.374 5.515 5.581 201 HG2 LYS 25 HG2 LYS 25 16.100 7.865 5.640 202 HG3 LYS 25 HG3 LYS 25 17.540 8.340 6.540 203 HD2 LYS 25 HD2 LYS 25 18.981 7.621 4.723 204 HD3 LYS 25 HD3 LYS 25 17.605 6.956 3.842 205 HE2 LYS 25 HE2 LYS 25 17.436 9.836 4.630 206 HE3 LYS 25 HE3 LYS 25 18.542 9.417 3.309 207 HZ1 LYS 25 HZ1 LYS 25 15.823 8.266 3.396 208 HZ2 LYS 25 HZ2 LYS 25 16.850 8.488 2.060 209 HZ3 LYS 25 HZ3 LYS 25 16.065 9.820 2.760 Start of MODEL 24 1 HA HIS 1 HA HIS 1 -17.854 5.835 2.212 2 HB2 HIS 1 HB2 HIS 1 -16.805 5.723 4.568 3 HB3 HIS 1 HB3 HIS 1 -17.064 3.981 4.472 4 HD1 HIS 1 HD1 HIS 1 -15.335 6.757 2.511 5 HD2 HIS 1 HD2 HIS 1 -15.094 2.631 3.063 6 HE1 HIS 1 HE1 HIS 1 -13.280 5.982 1.249 7 H ALA 2 H ALA 2 -17.152 3.926 0.917 8 HA ALA 2 HA ALA 2 -19.315 1.889 0.746 9 HB1 ALA 2 HB1 ALA 2 -16.969 2.510 -1.080 10 HB2 ALA 2 HB2 ALA 2 -18.556 3.270 -1.206 11 HB3 ALA 2 HB3 ALA 2 -18.383 1.537 -1.486 12 H TRP 3 H TRP 3 -18.192 -0.310 -0.237 13 HA TRP 3 HA TRP 3 -16.600 -1.391 1.985 14 HB2 TRP 3 HB2 TRP 3 -18.061 -2.374 -0.435 15 HB3 TRP 3 HB3 TRP 3 -16.807 -3.417 0.231 16 HD1 TRP 3 HD1 TRP 3 -17.373 -4.762 2.340 17 HE1 TRP 3 HE1 TRP 3 -19.400 -4.883 3.930 18 HE3 TRP 3 HE3 TRP 3 -20.076 -0.776 0.636 19 HZ2 TRP 3 HZ2 TRP 3 -21.842 -3.477 4.414 20 HZ3 TRP 3 HZ3 TRP 3 -22.246 -0.191 1.678 21 HH2 TRP 3 HH2 TRP 3 -23.132 -1.535 3.563 22 H TYR 4 H TYR 4 -14.915 0.429 1.084 23 HA TYR 4 HA TYR 4 -12.835 -1.115 -0.374 24 HB2 TYR 4 HB2 TYR 4 -14.525 0.721 -1.620 25 HB3 TYR 4 HB3 TYR 4 -13.052 1.642 -1.319 26 HD1 TYR 4 HD1 TYR 4 -14.238 -1.645 -2.667 27 HD2 TYR 4 HD2 TYR 4 -11.198 1.389 -2.735 28 HE1 TYR 4 HE1 TYR 4 -13.124 -2.803 -4.555 29 HE2 TYR 4 HE2 TYR 4 -10.084 0.230 -4.622 30 HH TYR 4 HH TYR 4 -10.323 -2.671 -5.392 31 H SER 5 H SER 5 -13.330 0.173 2.427 32 HA SER 5 HA SER 5 -11.386 2.322 2.663 33 HB2 SER 5 HB2 SER 5 -11.788 1.965 5.082 34 HB3 SER 5 HB3 SER 5 -13.305 1.995 4.189 35 HG SER 5 HG SER 5 -12.385 0.087 5.752 36 H HIS 6 H HIS 6 -11.317 -1.187 3.113 37 HA HIS 6 HA HIS 6 -8.516 -1.160 4.034 38 HB2 HIS 6 HB2 HIS 6 -10.543 -2.741 4.659 39 HB3 HIS 6 HB3 HIS 6 -10.055 -3.606 3.202 40 HD1 HIS 6 HD1 HIS 6 -9.433 -5.530 5.063 41 HD2 HIS 6 HD2 HIS 6 -6.990 -2.153 4.987 42 HE1 HIS 6 HE1 HIS 6 -7.312 -6.151 6.299 43 H TYR 7 H TYR 7 -10.303 -1.579 1.059 44 HA TYR 7 HA TYR 7 -8.394 -3.000 -0.513 45 HB2 TYR 7 HB2 TYR 7 -10.591 -1.002 -1.029 46 HB3 TYR 7 HB3 TYR 7 -9.589 -1.565 -2.364 47 HD1 TYR 7 HD1 TYR 7 -11.995 -2.603 0.254 48 HD2 TYR 7 HD2 TYR 7 -9.769 -3.815 -3.212 49 HE1 TYR 7 HE1 TYR 7 -13.359 -4.665 0.101 50 HE2 TYR 7 HE2 TYR 7 -11.131 -5.881 -3.364 51 HH TYR 7 HH TYR 7 -12.594 -7.271 -1.326 52 H VAL 8 H VAL 8 -8.865 0.503 -0.049 53 HA VAL 8 HA VAL 8 -6.678 1.370 -1.678 54 HB VAL 8 HB VAL 8 -8.636 2.704 -0.757 55 HG11 VAL 8 HG11 VAL 8 -8.758 3.338 1.457 56 HG12 VAL 8 HG12 VAL 8 -7.013 3.239 1.694 57 HG13 VAL 8 HG13 VAL 8 -7.983 1.768 1.655 58 HG21 VAL 8 HG21 VAL 8 -6.686 3.789 -1.813 59 HG22 VAL 8 HG22 VAL 8 -5.858 3.816 -0.256 60 HG23 VAL 8 HG23 VAL 8 -7.319 4.773 -0.494 61 H LEU 9 H LEU 9 -6.823 0.161 1.615 62 HA LEU 9 HA LEU 9 -4.186 1.047 2.446 63 HB2 LEU 9 HB2 LEU 9 -6.177 0.374 3.886 64 HB3 LEU 9 HB3 LEU 9 -5.835 -1.298 3.441 65 HG LEU 9 HG LEU 9 -3.387 -0.050 4.280 66 HD11 LEU 9 HD11 LEU 9 -4.558 1.530 5.608 67 HD12 LEU 9 HD12 LEU 9 -4.154 0.228 6.726 68 HD13 LEU 9 HD13 LEU 9 -5.787 0.352 6.071 69 HD21 LEU 9 HD21 LEU 9 -3.230 -1.970 5.635 70 HD22 LEU 9 HD22 LEU 9 -4.263 -2.509 4.312 71 HD23 LEU 9 HD23 LEU 9 -4.975 -2.066 5.863 72 H LYS 10 H LYS 10 -5.499 -1.922 0.955 73 HA LYS 10 HA LYS 10 -3.108 -3.511 1.136 74 HB2 LYS 10 HB2 LYS 10 -5.714 -3.509 -0.264 75 HB3 LYS 10 HB3 LYS 10 -4.437 -4.377 -1.114 76 HG2 LYS 10 HG2 LYS 10 -5.206 -6.071 0.261 77 HG3 LYS 10 HG3 LYS 10 -3.974 -5.370 1.311 78 HD2 LYS 10 HD2 LYS 10 -5.717 -3.955 2.379 79 HD3 LYS 10 HD3 LYS 10 -6.938 -4.724 1.363 80 HE2 LYS 10 HE2 LYS 10 -7.032 -5.948 3.404 81 HE3 LYS 10 HE3 LYS 10 -6.033 -6.966 2.349 82 HZ1 LYS 10 HZ1 LYS 10 -5.105 -6.409 4.649 83 HZ2 LYS 10 HZ2 LYS 10 -4.831 -4.848 4.035 84 HZ3 LYS 10 HZ3 LYS 10 -4.074 -6.191 3.320 85 H PHE 11 H PHE 11 -4.355 -1.367 -1.450 86 HA PHE 11 HA PHE 11 -2.145 -1.808 -3.265 87 HB2 PHE 11 HB2 PHE 11 -4.445 -0.946 -3.817 88 HB3 PHE 11 HB3 PHE 11 -4.027 0.562 -3.005 89 HD1 PHE 11 HD1 PHE 11 -2.891 -1.737 -5.733 90 HD2 PHE 11 HD2 PHE 11 -2.890 2.263 -4.167 91 HE1 PHE 11 HE1 PHE 11 -1.783 -0.928 -7.798 92 HE2 PHE 11 HE2 PHE 11 -1.782 3.071 -6.233 93 HZ PHE 11 HZ PHE 11 -1.228 1.476 -8.049 94 H PHE 12 H PHE 12 -2.855 0.706 -0.823 95 HA PHE 12 HA PHE 12 -0.553 2.351 -1.325 96 HB2 PHE 12 HB2 PHE 12 -2.636 2.950 -0.058 97 HB3 PHE 12 HB3 PHE 12 -2.106 1.888 1.245 98 HD1 PHE 12 HD1 PHE 12 -1.024 4.843 -0.782 99 HD2 PHE 12 HD2 PHE 12 -0.644 2.678 2.909 100 HE1 PHE 12 HE1 PHE 12 0.368 6.671 0.147 101 HE2 PHE 12 HE2 PHE 12 0.748 4.508 3.838 102 HZ PHE 12 HZ PHE 12 1.254 6.505 2.458 103 H LEU 13 H LEU 13 -1.119 -0.335 0.978 104 HA LEU 13 HA LEU 13 1.443 -0.245 2.267 105 HB2 LEU 13 HB2 LEU 13 -0.590 -1.428 3.080 106 HB3 LEU 13 HB3 LEU 13 -0.439 -2.575 1.749 107 HG LEU 13 HG LEU 13 2.060 -2.290 3.239 108 HD11 LEU 13 HD11 LEU 13 1.360 -3.295 5.310 109 HD12 LEU 13 HD12 LEU 13 -0.293 -3.487 4.726 110 HD13 LEU 13 HD13 LEU 13 0.345 -1.876 5.058 111 HD21 LEU 13 HD21 LEU 13 0.422 -4.797 3.062 112 HD22 LEU 13 HD22 LEU 13 2.164 -4.585 2.884 113 HD23 LEU 13 HD23 LEU 13 1.080 -4.112 1.577 114 H LEU 14 H LEU 14 0.368 -1.691 -0.781 115 HA LEU 14 HA LEU 14 2.697 -3.377 -1.159 116 HB2 LEU 14 HB2 LEU 14 0.301 -3.432 -2.199 117 HB3 LEU 14 HB3 LEU 14 0.952 -2.261 -3.347 118 HG LEU 14 HG LEU 14 2.935 -4.065 -3.456 119 HD11 LEU 14 HD11 LEU 14 2.235 -6.288 -3.122 120 HD12 LEU 14 HD12 LEU 14 0.528 -5.848 -3.110 121 HD13 LEU 14 HD13 LEU 14 1.554 -5.441 -1.733 122 HD21 LEU 14 HD21 LEU 14 0.366 -3.740 -4.932 123 HD22 LEU 14 HD22 LEU 14 1.293 -5.201 -5.274 124 HD23 LEU 14 HD23 LEU 14 2.024 -3.615 -5.520 125 H VAL 15 H VAL 15 1.898 -0.042 -1.992 126 HA VAL 15 HA VAL 15 4.434 0.250 -3.530 127 HB VAL 15 HB VAL 15 1.994 2.002 -3.076 128 HG11 VAL 15 HG11 VAL 15 3.476 3.693 -3.503 129 HG12 VAL 15 HG12 VAL 15 3.290 3.149 -5.170 130 HG13 VAL 15 HG13 VAL 15 4.669 2.607 -4.214 131 HG21 VAL 15 HG21 VAL 15 3.069 0.472 -5.468 132 HG22 VAL 15 HG22 VAL 15 1.707 1.594 -5.538 133 HG23 VAL 15 HG23 VAL 15 1.590 0.124 -4.571 134 H PHE 16 H PHE 16 2.715 2.211 -1.049 135 HA PHE 16 HA PHE 16 5.053 3.634 -0.184 136 HB2 PHE 16 HB2 PHE 16 2.507 4.085 0.114 137 HB3 PHE 16 HB3 PHE 16 2.637 3.035 1.525 138 HD1 PHE 16 HD1 PHE 16 3.996 6.135 -0.035 139 HD2 PHE 16 HD2 PHE 16 3.602 3.810 3.556 140 HE1 PHE 16 HE1 PHE 16 4.915 8.021 1.287 141 HE2 PHE 16 HE2 PHE 16 4.521 5.697 4.878 142 HZ PHE 16 HZ PHE 16 5.177 7.802 3.743 143 H GLY 17 H GLY 17 3.602 0.560 0.868 144 HA2 GLY 17 HA2 GLY 17 5.145 0.268 3.278 145 HA3 GLY 17 HA3 GLY 17 4.360 -1.048 2.407 146 H GLU 18 H GLU 18 5.643 -0.987 -0.047 147 HA GLU 18 HA GLU 18 8.097 -2.353 0.448 148 HB2 GLU 18 HB2 GLU 18 6.511 -2.316 -1.604 149 HB3 GLU 18 HB3 GLU 18 7.406 -0.878 -2.099 150 HG2 GLU 18 HG2 GLU 18 9.518 -2.167 -2.019 151 HG3 GLU 18 HG3 GLU 18 8.615 -3.607 -1.543 152 H ASN 19 H ASN 19 7.447 1.036 -0.383 153 HA ASN 19 HA ASN 19 10.139 1.903 -0.771 154 HB2 ASN 19 HB2 ASN 19 7.591 3.233 0.175 155 HB3 ASN 19 HB3 ASN 19 9.078 4.147 -0.079 156 HD21 ASN 19 HD21 ASN 19 6.421 4.108 -1.642 157 HD22 ASN 19 HD22 ASN 19 6.894 3.834 -3.248 158 H GLY 20 H GLY 20 8.219 1.446 2.156 159 HA2 GLY 20 HA2 GLY 20 10.295 2.598 3.887 160 HA3 GLY 20 HA3 GLY 20 8.785 1.864 4.428 161 H VAL 21 H VAL 21 8.968 -0.643 3.149 162 HA VAL 21 HA VAL 21 10.615 -2.113 4.969 163 HB VAL 21 HB VAL 21 9.267 -2.771 2.336 164 HG11 VAL 21 HG11 VAL 21 11.069 -4.378 2.614 165 HG12 VAL 21 HG12 VAL 21 9.550 -5.169 3.036 166 HG13 VAL 21 HG13 VAL 21 10.643 -4.623 4.308 167 HG21 VAL 21 HG21 VAL 21 7.555 -3.735 3.723 168 HG22 VAL 21 HG22 VAL 21 7.910 -2.145 4.397 169 HG23 VAL 21 HG23 VAL 21 8.559 -3.592 5.166 170 H PHE 22 H PHE 22 11.265 -0.828 1.750 171 HA PHE 22 HA PHE 22 13.881 -2.243 1.649 172 HB2 PHE 22 HB2 PHE 22 11.973 -1.783 -0.221 173 HB3 PHE 22 HB3 PHE 22 13.009 -0.382 -0.496 174 HD1 PHE 22 HD1 PHE 22 12.838 -4.070 -0.513 175 HD2 PHE 22 HD2 PHE 22 15.285 -0.631 -1.316 176 HE1 PHE 22 HE1 PHE 22 14.459 -5.505 -1.724 177 HE2 PHE 22 HE2 PHE 22 16.904 -2.066 -2.527 178 HZ PHE 22 HZ PHE 22 16.492 -4.503 -2.730 179 H PHE 23 H PHE 23 12.617 0.838 2.553 180 HA PHE 23 HA PHE 23 15.372 1.895 2.841 181 HB2 PHE 23 HB2 PHE 23 13.426 2.653 0.789 182 HB3 PHE 23 HB3 PHE 23 14.001 4.038 1.714 183 HD1 PHE 23 HD1 PHE 23 16.602 4.138 2.125 184 HD2 PHE 23 HD2 PHE 23 14.723 1.855 -0.991 185 HE1 PHE 23 HE1 PHE 23 18.738 4.096 0.866 186 HE2 PHE 23 HE2 PHE 23 16.859 1.813 -2.249 187 HZ PHE 23 HZ PHE 23 18.866 2.934 -1.320 188 H TYR 24 H TYR 24 14.370 1.408 5.106 189 HA TYR 24 HA TYR 24 13.579 3.942 6.317 190 HB2 TYR 24 HB2 TYR 24 11.545 2.550 5.177 191 HB3 TYR 24 HB3 TYR 24 11.528 1.845 6.792 192 HD1 TYR 24 HD1 TYR 24 11.278 3.343 8.798 193 HD2 TYR 24 HD2 TYR 24 10.825 4.792 4.779 194 HE1 TYR 24 HE1 TYR 24 10.134 5.368 9.656 195 HE2 TYR 24 HE2 TYR 24 9.681 6.817 5.638 196 HH TYR 24 HH TYR 24 9.862 8.022 8.342 197 H LYS 25 H LYS 25 15.752 2.232 6.814 198 HA LYS 25 HA LYS 25 15.073 1.120 9.522 199 HB2 LYS 25 HB2 LYS 25 16.656 -0.663 9.066 200 HB3 LYS 25 HB3 LYS 25 15.540 -0.565 7.707 201 HG2 LYS 25 HG2 LYS 25 17.142 0.485 6.315 202 HG3 LYS 25 HG3 LYS 25 18.170 0.920 7.680 203 HD2 LYS 25 HD2 LYS 25 17.599 -1.976 7.100 204 HD3 LYS 25 HD3 LYS 25 18.842 -1.123 6.183 205 HE2 LYS 25 HE2 LYS 25 20.216 -0.838 8.043 206 HE3 LYS 25 HE3 LYS 25 18.857 -0.894 9.182 207 HZ1 LYS 25 HZ1 LYS 25 20.123 -2.974 9.205 208 HZ2 LYS 25 HZ2 LYS 25 19.824 -3.186 7.546 209 HZ3 LYS 25 HZ3 LYS 25 18.538 -3.226 8.657 Start of MODEL 25 1 HA HIS 1 HA HIS 1 -21.611 2.688 3.207 2 HB2 HIS 1 HB2 HIS 1 -22.680 4.312 1.770 3 HB3 HIS 1 HB3 HIS 1 -21.729 5.201 2.955 4 HD1 HIS 1 HD1 HIS 1 -21.796 4.264 -0.694 5 HD2 HIS 1 HD2 HIS 1 -19.536 6.644 1.878 6 HE1 HIS 1 HE1 HIS 1 -20.291 5.676 -2.161 7 H ALA 2 H ALA 2 -18.906 3.226 0.974 8 HA ALA 2 HA ALA 2 -19.931 0.948 -0.694 9 HB1 ALA 2 HB1 ALA 2 -20.143 3.017 -1.920 10 HB2 ALA 2 HB2 ALA 2 -18.731 2.184 -2.569 11 HB3 ALA 2 HB3 ALA 2 -18.522 3.528 -1.446 12 H TRP 3 H TRP 3 -17.761 0.411 -2.205 13 HA TRP 3 HA TRP 3 -15.846 -0.715 -0.288 14 HB2 TRP 3 HB2 TRP 3 -14.899 -1.720 -2.408 15 HB3 TRP 3 HB3 TRP 3 -16.611 -2.046 -2.172 16 HD1 TRP 3 HD1 TRP 3 -14.253 0.174 -4.248 17 HE1 TRP 3 HE1 TRP 3 -15.514 0.946 -6.359 18 HE3 TRP 3 HE3 TRP 3 -18.902 -1.678 -3.231 19 HZ2 TRP 3 HZ2 TRP 3 -18.143 0.800 -7.470 20 HZ3 TRP 3 HZ3 TRP 3 -20.763 -1.349 -4.833 21 HH2 TRP 3 HH2 TRP 3 -20.390 -0.113 -6.949 22 H TYR 4 H TYR 4 -13.586 -0.440 -2.300 23 HA TYR 4 HA TYR 4 -11.763 0.989 -2.711 24 HB2 TYR 4 HB2 TYR 4 -14.202 2.650 -2.827 25 HB3 TYR 4 HB3 TYR 4 -12.731 3.561 -2.504 26 HD1 TYR 4 HD1 TYR 4 -10.678 2.092 -3.992 27 HD2 TYR 4 HD2 TYR 4 -14.739 2.986 -5.074 28 HE1 TYR 4 HE1 TYR 4 -10.073 1.944 -6.390 29 HE2 TYR 4 HE2 TYR 4 -14.132 2.837 -7.471 30 HH TYR 4 HH TYR 4 -11.545 3.186 -8.739 31 H SER 5 H SER 5 -12.895 0.405 0.194 32 HA SER 5 HA SER 5 -11.424 2.586 1.617 33 HB2 SER 5 HB2 SER 5 -12.710 1.524 3.593 34 HB3 SER 5 HB3 SER 5 -13.666 2.385 2.391 35 HG SER 5 HG SER 5 -14.675 0.570 2.107 36 H HIS 6 H HIS 6 -11.890 -0.949 1.651 37 HA HIS 6 HA HIS 6 -9.468 -1.370 3.269 38 HB2 HIS 6 HB2 HIS 6 -11.631 -2.695 3.401 39 HB3 HIS 6 HB3 HIS 6 -11.238 -3.361 1.817 40 HD1 HIS 6 HD1 HIS 6 -10.315 -3.566 5.423 41 HD2 HIS 6 HD2 HIS 6 -8.944 -5.109 1.801 42 HE1 HIS 6 HE1 HIS 6 -8.696 -5.425 6.003 43 H TYR 7 H TYR 7 -10.485 -1.718 -0.100 44 HA TYR 7 HA TYR 7 -8.195 -3.126 -1.085 45 HB2 TYR 7 HB2 TYR 7 -10.130 -1.164 -2.357 46 HB3 TYR 7 HB3 TYR 7 -8.973 -2.123 -3.278 47 HD1 TYR 7 HD1 TYR 7 -9.010 -4.719 -2.816 48 HD2 TYR 7 HD2 TYR 7 -12.251 -2.045 -1.919 49 HE1 TYR 7 HE1 TYR 7 -10.586 -6.633 -2.798 50 HE2 TYR 7 HE2 TYR 7 -13.826 -3.960 -1.902 51 HH TYR 7 HH TYR 7 -13.287 -6.773 -1.425 52 H VAL 8 H VAL 8 -8.887 0.368 -0.867 53 HA VAL 8 HA VAL 8 -6.372 1.216 -1.997 54 HB VAL 8 HB VAL 8 -8.571 2.513 -1.692 55 HG11 VAL 8 HG11 VAL 8 -9.067 3.519 0.373 56 HG12 VAL 8 HG12 VAL 8 -7.445 3.239 1.006 57 HG13 VAL 8 HG13 VAL 8 -8.570 1.893 0.836 58 HG21 VAL 8 HG21 VAL 8 -7.377 4.664 -1.376 59 HG22 VAL 8 HG22 VAL 8 -6.496 3.585 -2.458 60 HG23 VAL 8 HG23 VAL 8 -5.968 3.783 -0.787 61 H LEU 9 H LEU 9 -7.354 0.173 1.196 62 HA LEU 9 HA LEU 9 -5.110 1.266 2.670 63 HB2 LEU 9 HB2 LEU 9 -7.503 0.216 3.311 64 HB3 LEU 9 HB3 LEU 9 -6.526 -1.236 3.503 65 HG LEU 9 HG LEU 9 -6.732 0.040 5.625 66 HD11 LEU 9 HD11 LEU 9 -4.484 -0.209 6.253 67 HD12 LEU 9 HD12 LEU 9 -3.887 0.320 4.680 68 HD13 LEU 9 HD13 LEU 9 -4.619 -1.275 4.855 69 HD21 LEU 9 HD21 LEU 9 -6.790 2.288 4.348 70 HD22 LEU 9 HD22 LEU 9 -5.030 2.177 4.334 71 HD23 LEU 9 HD23 LEU 9 -5.898 2.243 5.868 72 H LYS 10 H LYS 10 -5.771 -1.879 1.084 73 HA LYS 10 HA LYS 10 -3.278 -3.112 1.945 74 HB2 LYS 10 HB2 LYS 10 -5.526 -4.149 1.159 75 HB3 LYS 10 HB3 LYS 10 -4.932 -3.853 -0.475 76 HG2 LYS 10 HG2 LYS 10 -4.278 -6.091 0.071 77 HG3 LYS 10 HG3 LYS 10 -2.818 -5.110 0.198 78 HD2 LYS 10 HD2 LYS 10 -2.586 -5.951 2.282 79 HD3 LYS 10 HD3 LYS 10 -3.951 -4.933 2.739 80 HE2 LYS 10 HE2 LYS 10 -4.856 -7.385 1.433 81 HE3 LYS 10 HE3 LYS 10 -3.883 -7.728 2.876 82 HZ1 LYS 10 HZ1 LYS 10 -5.212 -6.231 4.158 83 HZ2 LYS 10 HZ2 LYS 10 -6.268 -7.300 3.366 84 HZ3 LYS 10 HZ3 LYS 10 -6.069 -5.715 2.788 85 H PHE 11 H PHE 11 -4.339 -1.385 -0.987 86 HA PHE 11 HA PHE 11 -2.003 -1.851 -2.586 87 HB2 PHE 11 HB2 PHE 11 -4.200 -1.008 -3.383 88 HB3 PHE 11 HB3 PHE 11 -3.939 0.493 -2.496 89 HD1 PHE 11 HD1 PHE 11 -2.464 -1.662 -5.175 90 HD2 PHE 11 HD2 PHE 11 -2.730 2.270 -3.466 91 HE1 PHE 11 HE1 PHE 11 -1.201 -0.740 -7.099 92 HE2 PHE 11 HE2 PHE 11 -1.466 3.191 -5.390 93 HZ PHE 11 HZ PHE 11 -0.702 1.686 -7.206 94 H PHE 12 H PHE 12 -2.835 0.795 -0.314 95 HA PHE 12 HA PHE 12 -0.460 2.360 -0.718 96 HB2 PHE 12 HB2 PHE 12 -2.772 2.762 0.523 97 HB3 PHE 12 HB3 PHE 12 -1.876 2.182 1.926 98 HD1 PHE 12 HD1 PHE 12 0.403 3.298 2.430 99 HD2 PHE 12 HD2 PHE 12 -2.543 4.991 -0.201 100 HE1 PHE 12 HE1 PHE 12 1.470 5.524 2.669 101 HE2 PHE 12 HE2 PHE 12 -1.474 7.217 0.037 102 HZ PHE 12 HZ PHE 12 0.531 7.483 1.471 103 H LEU 13 H LEU 13 -1.244 -0.245 1.602 104 HA LEU 13 HA LEU 13 1.192 -0.169 3.107 105 HB2 LEU 13 HB2 LEU 13 -1.086 -1.375 3.484 106 HB3 LEU 13 HB3 LEU 13 -0.403 -2.657 2.482 107 HG LEU 13 HG LEU 13 1.660 -2.411 4.119 108 HD11 LEU 13 HD11 LEU 13 -0.672 -1.291 5.701 109 HD12 LEU 13 HD12 LEU 13 0.870 -0.499 5.372 110 HD13 LEU 13 HD13 LEU 13 0.809 -1.901 6.440 111 HD21 LEU 13 HD21 LEU 13 0.171 -4.408 3.824 112 HD22 LEU 13 HD22 LEU 13 -0.920 -3.725 5.032 113 HD23 LEU 13 HD23 LEU 13 0.718 -4.193 5.488 114 H LEU 14 H LEU 14 0.353 -1.669 0.011 115 HA LEU 14 HA LEU 14 2.819 -3.247 -0.155 116 HB2 LEU 14 HB2 LEU 14 0.392 -3.562 -1.189 117 HB3 LEU 14 HB3 LEU 14 1.055 -2.568 -2.486 118 HG LEU 14 HG LEU 14 3.074 -4.224 -2.396 119 HD11 LEU 14 HD11 LEU 14 0.873 -5.928 -1.187 120 HD12 LEU 14 HD12 LEU 14 2.285 -5.340 -0.309 121 HD13 LEU 14 HD13 LEU 14 2.487 -6.473 -1.644 122 HD21 LEU 14 HD21 LEU 14 1.882 -5.746 -3.968 123 HD22 LEU 14 HD22 LEU 14 1.541 -4.048 -4.301 124 HD23 LEU 14 HD23 LEU 14 0.348 -5.039 -3.459 125 H VAL 15 H VAL 15 1.507 -0.421 -1.903 126 HA VAL 15 HA VAL 15 3.878 0.129 -3.432 127 HB VAL 15 HB VAL 15 1.521 1.817 -2.525 128 HG11 VAL 15 HG11 VAL 15 2.936 3.525 -3.143 129 HG12 VAL 15 HG12 VAL 15 2.360 3.072 -4.746 130 HG13 VAL 15 HG13 VAL 15 3.919 2.482 -4.171 131 HG21 VAL 15 HG21 VAL 15 0.437 1.051 -4.387 132 HG22 VAL 15 HG22 VAL 15 1.550 -0.307 -4.226 133 HG23 VAL 15 HG23 VAL 15 1.914 1.001 -5.350 134 H PHE 16 H PHE 16 2.601 1.787 -0.500 135 HA PHE 16 HA PHE 16 5.001 3.361 -0.101 136 HB2 PHE 16 HB2 PHE 16 2.490 3.583 0.725 137 HB3 PHE 16 HB3 PHE 16 3.085 2.651 2.100 138 HD1 PHE 16 HD1 PHE 16 3.326 5.837 0.269 139 HD2 PHE 16 HD2 PHE 16 4.772 3.566 3.616 140 HE1 PHE 16 HE1 PHE 16 4.341 7.888 1.222 141 HE2 PHE 16 HE2 PHE 16 5.787 5.617 4.568 142 HZ PHE 16 HZ PHE 16 5.572 7.779 3.372 143 H GLY 17 H GLY 17 3.976 0.144 0.948 144 HA2 GLY 17 HA2 GLY 17 5.832 -0.187 3.109 145 HA3 GLY 17 HA3 GLY 17 5.092 -1.502 2.195 146 H GLU 18 H GLU 18 6.069 -1.090 -0.358 147 HA GLU 18 HA GLU 18 8.746 -2.129 -0.175 148 HB2 GLU 18 HB2 GLU 18 6.783 -1.343 -2.255 149 HB3 GLU 18 HB3 GLU 18 8.471 -1.341 -2.770 150 HG2 GLU 18 HG2 GLU 18 8.758 -3.640 -2.145 151 HG3 GLU 18 HG3 GLU 18 7.206 -3.671 -1.307 152 H ASN 19 H ASN 19 7.499 1.129 -0.411 153 HA ASN 19 HA ASN 19 9.913 2.386 -1.403 154 HB2 ASN 19 HB2 ASN 19 7.304 3.164 -0.195 155 HB3 ASN 19 HB3 ASN 19 8.604 4.350 -0.080 156 HD21 ASN 19 HD21 ASN 19 6.485 2.642 -2.338 157 HD22 ASN 19 HD22 ASN 19 6.915 3.551 -3.705 158 H GLY 20 H GLY 20 8.937 1.188 1.712 159 HA2 GLY 20 HA2 GLY 20 11.257 2.588 2.980 160 HA3 GLY 20 HA3 GLY 20 9.808 2.113 3.861 161 H VAL 21 H VAL 21 9.649 -0.549 2.526 162 HA VAL 21 HA VAL 21 11.695 -1.897 4.207 163 HB VAL 21 HB VAL 21 9.215 -2.837 2.729 164 HG11 VAL 21 HG11 VAL 21 11.117 -4.323 4.567 165 HG12 VAL 21 HG12 VAL 21 10.751 -4.704 2.884 166 HG13 VAL 21 HG13 VAL 21 9.516 -4.915 4.123 167 HG21 VAL 21 HG21 VAL 21 8.968 -1.321 4.764 168 HG22 VAL 21 HG22 VAL 21 9.718 -2.607 5.710 169 HG23 VAL 21 HG23 VAL 21 8.178 -2.892 4.897 170 H PHE 22 H PHE 22 10.863 -1.471 0.811 171 HA PHE 22 HA PHE 22 12.936 -3.468 0.024 172 HB2 PHE 22 HB2 PHE 22 10.386 -2.545 -0.991 173 HB3 PHE 22 HB3 PHE 22 11.628 -2.390 -2.233 174 HD1 PHE 22 HD1 PHE 22 9.841 -4.739 -0.016 175 HD2 PHE 22 HD2 PHE 22 12.775 -4.341 -3.129 176 HE1 PHE 22 HE1 PHE 22 9.769 -7.188 -0.397 177 HE2 PHE 22 HE2 PHE 22 12.701 -6.789 -3.509 178 HZ PHE 22 HZ PHE 22 11.199 -8.213 -2.143 179 H PHE 23 H PHE 23 12.843 -0.205 0.689 180 HA PHE 23 HA PHE 23 15.035 0.349 -1.282 181 HB2 PHE 23 HB2 PHE 23 12.472 1.712 -0.718 182 HB3 PHE 23 HB3 PHE 23 13.864 2.789 -0.818 183 HD1 PHE 23 HD1 PHE 23 15.182 2.972 -2.881 184 HD2 PHE 23 HD2 PHE 23 11.732 0.422 -2.652 185 HE1 PHE 23 HE1 PHE 23 15.158 2.783 -5.353 186 HE2 PHE 23 HE2 PHE 23 11.708 0.234 -5.125 187 HZ PHE 23 HZ PHE 23 13.421 1.414 -6.476 188 H TYR 24 H TYR 24 15.171 -0.540 1.562 189 HA TYR 24 HA TYR 24 16.308 1.902 2.875 190 HB2 TYR 24 HB2 TYR 24 14.464 0.069 3.727 191 HB3 TYR 24 HB3 TYR 24 15.944 -0.626 4.382 192 HD1 TYR 24 HD1 TYR 24 13.699 2.303 4.416 193 HD2 TYR 24 HD2 TYR 24 17.238 0.531 6.089 194 HE1 TYR 24 HE1 TYR 24 13.684 3.989 6.234 195 HE2 TYR 24 HE2 TYR 24 17.222 2.218 7.906 196 HH TYR 24 HH TYR 24 15.959 4.907 7.906 197 H LYS 25 H LYS 25 17.863 0.716 0.851 198 HA LYS 25 HA LYS 25 20.170 -0.310 2.433 199 HB2 LYS 25 HB2 LYS 25 20.434 -2.179 0.829 200 HB3 LYS 25 HB3 LYS 25 18.868 -2.257 1.635 201 HG2 LYS 25 HG2 LYS 25 17.895 -1.017 -0.355 202 HG3 LYS 25 HG3 LYS 25 19.445 -1.250 -1.165 203 HD2 LYS 25 HD2 LYS 25 19.140 -3.525 -1.400 204 HD3 LYS 25 HD3 LYS 25 18.141 -3.649 0.049 205 HE2 LYS 25 HE2 LYS 25 16.218 -2.777 -1.076 206 HE3 LYS 25 HE3 LYS 25 17.189 -2.225 -2.455 207 HZ1 LYS 25 HZ1 LYS 25 17.729 -4.467 -3.011 208 HZ2 LYS 25 HZ2 LYS 25 16.041 -4.387 -2.833 209 HZ3 LYS 25 HZ3 LYS 25 16.995 -5.067 -1.602 Start of MODEL 26 1 HA HIS 1 HA HIS 1 -15.221 6.964 3.633 2 HB2 HIS 1 HB2 HIS 1 -14.845 6.043 0.789 3 HB3 HIS 1 HB3 HIS 1 -16.180 7.123 1.188 4 HD1 HIS 1 HD1 HIS 1 -12.591 7.106 0.487 5 HD2 HIS 1 HD2 HIS 1 -15.242 9.628 2.486 6 HE1 HIS 1 HE1 HIS 1 -11.404 9.327 0.754 7 H ALA 2 H ALA 2 -16.280 4.397 1.350 8 HA ALA 2 HA ALA 2 -18.347 3.475 3.265 9 HB1 ALA 2 HB1 ALA 2 -18.981 4.713 0.564 10 HB2 ALA 2 HB2 ALA 2 -19.272 5.483 2.125 11 HB3 ALA 2 HB3 ALA 2 -20.158 4.024 1.682 12 H TRP 3 H TRP 3 -17.630 1.337 3.121 13 HA TRP 3 HA TRP 3 -17.406 -0.826 2.213 14 HB2 TRP 3 HB2 TRP 3 -19.353 0.618 0.599 15 HB3 TRP 3 HB3 TRP 3 -18.472 -0.551 -0.381 16 HD1 TRP 3 HD1 TRP 3 -18.839 -3.095 0.098 17 HE1 TRP 3 HE1 TRP 3 -20.515 -4.391 1.568 18 HE3 TRP 3 HE3 TRP 3 -20.721 0.744 2.894 19 HZ2 TRP 3 HZ2 TRP 3 -22.402 -3.871 3.652 20 HZ3 TRP 3 HZ3 TRP 3 -22.455 0.316 4.611 21 HH2 TRP 3 HH2 TRP 3 -23.298 -1.986 4.993 22 H TYR 4 H TYR 4 -15.931 -1.969 0.825 23 HA TYR 4 HA TYR 4 -13.937 -2.195 -0.398 24 HB2 TYR 4 HB2 TYR 4 -14.695 -1.798 -2.487 25 HB3 TYR 4 HB3 TYR 4 -15.923 -0.720 -1.848 26 HD1 TYR 4 HD1 TYR 4 -12.555 -0.935 -3.340 27 HD2 TYR 4 HD2 TYR 4 -15.615 1.703 -1.878 28 HE1 TYR 4 HE1 TYR 4 -11.418 0.986 -4.415 29 HE2 TYR 4 HE2 TYR 4 -14.475 3.622 -2.947 30 HH TYR 4 HH TYR 4 -11.798 4.003 -3.657 31 H SER 5 H SER 5 -14.164 -0.027 1.856 32 HA SER 5 HA SER 5 -12.162 1.979 1.098 33 HB2 SER 5 HB2 SER 5 -14.132 2.231 2.699 34 HB3 SER 5 HB3 SER 5 -13.219 1.251 3.842 35 HG SER 5 HG SER 5 -12.153 2.990 4.316 36 H HIS 6 H HIS 6 -11.896 -1.271 1.943 37 HA HIS 6 HA HIS 6 -9.405 -0.954 3.521 38 HB2 HIS 6 HB2 HIS 6 -11.293 -3.173 2.785 39 HB3 HIS 6 HB3 HIS 6 -9.671 -3.575 3.348 40 HD1 HIS 6 HD1 HIS 6 -8.996 -2.500 5.748 41 HD2 HIS 6 HD2 HIS 6 -13.061 -2.503 4.825 42 HE1 HIS 6 HE1 HIS 6 -10.225 -2.102 7.927 43 H TYR 7 H TYR 7 -10.425 -1.625 0.256 44 HA TYR 7 HA TYR 7 -8.104 -3.020 -0.692 45 HB2 TYR 7 HB2 TYR 7 -10.138 -1.192 -2.006 46 HB3 TYR 7 HB3 TYR 7 -8.934 -2.103 -2.918 47 HD1 TYR 7 HD1 TYR 7 -8.791 -4.696 -2.235 48 HD2 TYR 7 HD2 TYR 7 -12.224 -2.173 -1.690 49 HE1 TYR 7 HE1 TYR 7 -10.252 -6.701 -2.158 50 HE2 TYR 7 HE2 TYR 7 -13.684 -4.175 -1.613 51 HH TYR 7 HH TYR 7 -13.278 -6.789 -2.702 52 H VAL 8 H VAL 8 -8.917 0.444 -0.586 53 HA VAL 8 HA VAL 8 -6.531 1.419 -1.825 54 HB VAL 8 HB VAL 8 -8.664 2.677 -1.397 55 HG11 VAL 8 HG11 VAL 8 -8.858 1.804 0.995 56 HG12 VAL 8 HG12 VAL 8 -9.189 3.521 0.776 57 HG13 VAL 8 HG13 VAL 8 -7.638 2.999 1.432 58 HG21 VAL 8 HG21 VAL 8 -7.545 4.815 -0.737 59 HG22 VAL 8 HG22 VAL 8 -6.646 3.924 -1.965 60 HG23 VAL 8 HG23 VAL 8 -6.113 3.888 -0.284 61 H LEU 9 H LEU 9 -7.253 0.434 1.482 62 HA LEU 9 HA LEU 9 -4.846 1.474 2.716 63 HB2 LEU 9 HB2 LEU 9 -6.971 0.841 3.877 64 HB3 LEU 9 HB3 LEU 9 -6.658 -0.847 3.479 65 HG LEU 9 HG LEU 9 -4.338 0.389 4.731 66 HD11 LEU 9 HD11 LEU 9 -5.434 0.485 7.021 67 HD12 LEU 9 HD12 LEU 9 -6.991 0.454 6.192 68 HD13 LEU 9 HD13 LEU 9 -5.876 1.795 5.927 69 HD21 LEU 9 HD21 LEU 9 -4.547 -1.597 6.188 70 HD22 LEU 9 HD22 LEU 9 -4.725 -2.044 4.491 71 HD23 LEU 9 HD23 LEU 9 -6.149 -1.918 5.524 72 H LYS 10 H LYS 10 -5.773 -1.713 1.366 73 HA LYS 10 HA LYS 10 -3.247 -3.012 1.951 74 HB2 LYS 10 HB2 LYS 10 -5.626 -3.943 1.410 75 HB3 LYS 10 HB3 LYS 10 -5.158 -3.731 -0.277 76 HG2 LYS 10 HG2 LYS 10 -3.268 -5.208 -0.014 77 HG3 LYS 10 HG3 LYS 10 -3.507 -5.284 1.733 78 HD2 LYS 10 HD2 LYS 10 -5.677 -6.387 1.410 79 HD3 LYS 10 HD3 LYS 10 -5.487 -6.276 -0.340 80 HE2 LYS 10 HE2 LYS 10 -3.134 -7.503 0.845 81 HE3 LYS 10 HE3 LYS 10 -4.602 -8.388 1.302 82 HZ1 LYS 10 HZ1 LYS 10 -5.292 -8.253 -1.068 83 HZ2 LYS 10 HZ2 LYS 10 -3.895 -9.188 -0.823 84 HZ3 LYS 10 HZ3 LYS 10 -3.765 -7.612 -1.444 85 H PHE 11 H PHE 11 -4.607 -1.453 -0.976 86 HA PHE 11 HA PHE 11 -2.437 -1.968 -2.756 87 HB2 PHE 11 HB2 PHE 11 -4.796 -1.017 -3.167 88 HB3 PHE 11 HB3 PHE 11 -4.130 0.542 -2.682 89 HD1 PHE 11 HD1 PHE 11 -3.725 -2.259 -5.111 90 HD2 PHE 11 HD2 PHE 11 -2.802 1.831 -4.173 91 HE1 PHE 11 HE1 PHE 11 -2.787 -1.949 -7.385 92 HE2 PHE 11 HE2 PHE 11 -1.866 2.141 -6.448 93 HZ PHE 11 HZ PHE 11 -1.859 0.251 -8.055 94 H PHE 12 H PHE 12 -2.977 0.701 -0.439 95 HA PHE 12 HA PHE 12 -0.665 2.258 -1.154 96 HB2 PHE 12 HB2 PHE 12 -2.769 2.814 0.259 97 HB3 PHE 12 HB3 PHE 12 -1.905 2.061 1.598 98 HD1 PHE 12 HD1 PHE 12 0.284 2.997 2.360 99 HD2 PHE 12 HD2 PHE 12 -2.138 4.972 -0.586 100 HE1 PHE 12 HE1 PHE 12 1.568 5.089 2.708 101 HE2 PHE 12 HE2 PHE 12 -0.852 7.065 -0.240 102 HZ PHE 12 HZ PHE 12 1.001 7.124 1.407 103 H LEU 13 H LEU 13 -1.186 -0.313 1.279 104 HA LEU 13 HA LEU 13 1.447 -0.203 2.442 105 HB2 LEU 13 HB2 LEU 13 -0.932 -1.405 2.992 106 HB3 LEU 13 HB3 LEU 13 -0.045 -2.778 2.333 107 HG LEU 13 HG LEU 13 0.211 -2.580 4.802 108 HD11 LEU 13 HD11 LEU 13 2.555 -2.978 4.844 109 HD12 LEU 13 HD12 LEU 13 2.838 -1.922 3.460 110 HD13 LEU 13 HD13 LEU 13 2.032 -3.474 3.235 111 HD21 LEU 13 HD21 LEU 13 1.336 -0.713 5.799 112 HD22 LEU 13 HD22 LEU 13 0.088 -0.032 4.756 113 HD23 LEU 13 HD23 LEU 13 1.770 -0.048 4.225 114 H LEU 14 H LEU 14 0.098 -1.942 -0.346 115 HA LEU 14 HA LEU 14 2.354 -3.695 -0.779 116 HB2 LEU 14 HB2 LEU 14 -0.129 -3.703 -1.638 117 HB3 LEU 14 HB3 LEU 14 0.510 -2.695 -2.937 118 HG LEU 14 HG LEU 14 2.373 -4.604 -3.013 119 HD11 LEU 14 HD11 LEU 14 1.240 -5.756 -1.039 120 HD12 LEU 14 HD12 LEU 14 1.535 -6.776 -2.448 121 HD13 LEU 14 HD13 LEU 14 -0.082 -6.145 -2.139 122 HD21 LEU 14 HD21 LEU 14 0.738 -3.879 -4.810 123 HD22 LEU 14 HD22 LEU 14 -0.391 -5.074 -4.170 124 HD23 LEU 14 HD23 LEU 14 1.153 -5.593 -4.846 125 H VAL 15 H VAL 15 1.638 -0.382 -1.733 126 HA VAL 15 HA VAL 15 3.995 -0.296 -3.552 127 HB VAL 15 HB VAL 15 1.666 1.532 -2.907 128 HG11 VAL 15 HG11 VAL 15 3.290 3.165 -3.265 129 HG12 VAL 15 HG12 VAL 15 2.750 2.865 -4.917 130 HG13 VAL 15 HG13 VAL 15 4.243 2.132 -4.329 131 HG21 VAL 15 HG21 VAL 15 1.020 1.102 -5.174 132 HG22 VAL 15 HG22 VAL 15 1.460 -0.463 -4.491 133 HG23 VAL 15 HG23 VAL 15 2.585 0.382 -5.556 134 H PHE 16 H PHE 16 2.716 1.442 -0.682 135 HA PHE 16 HA PHE 16 5.086 3.034 -0.259 136 HB2 PHE 16 HB2 PHE 16 2.603 3.244 0.569 137 HB3 PHE 16 HB3 PHE 16 3.153 2.234 1.906 138 HD1 PHE 16 HD1 PHE 16 3.624 5.473 0.173 139 HD2 PHE 16 HD2 PHE 16 4.676 3.077 3.579 140 HE1 PHE 16 HE1 PHE 16 4.647 7.457 1.251 141 HE2 PHE 16 HE2 PHE 16 5.700 5.060 4.658 142 HZ PHE 16 HZ PHE 16 5.685 7.251 3.494 143 H GLY 17 H GLY 17 4.249 -0.265 0.625 144 HA2 GLY 17 HA2 GLY 17 5.951 -0.628 2.876 145 HA3 GLY 17 HA3 GLY 17 5.488 -1.910 1.756 146 H GLU 18 H GLU 18 6.646 -0.993 -0.618 147 HA GLU 18 HA GLU 18 9.398 -1.771 -0.290 148 HB2 GLU 18 HB2 GLU 18 7.723 -0.560 -2.494 149 HB3 GLU 18 HB3 GLU 18 9.443 -0.870 -2.732 150 HG2 GLU 18 HG2 GLU 18 7.681 -3.051 -1.646 151 HG3 GLU 18 HG3 GLU 18 7.699 -2.727 -3.379 152 H ASN 19 H ASN 19 7.779 1.340 -0.314 153 HA ASN 19 HA ASN 19 10.219 2.925 -0.612 154 HB2 ASN 19 HB2 ASN 19 7.321 3.430 0.065 155 HB3 ASN 19 HB3 ASN 19 8.508 4.728 0.182 156 HD21 ASN 19 HD21 ASN 19 6.414 3.139 -1.989 157 HD22 ASN 19 HD22 ASN 19 7.085 3.719 -3.436 158 H GLY 20 H GLY 20 8.804 1.185 1.964 159 HA2 GLY 20 HA2 GLY 20 10.058 2.930 4.025 160 HA3 GLY 20 HA3 GLY 20 8.839 1.697 4.348 161 H VAL 21 H VAL 21 9.945 -0.478 2.905 162 HA VAL 21 HA VAL 21 11.724 -1.634 4.763 163 HB VAL 21 HB VAL 21 12.241 -3.218 2.869 164 HG11 VAL 21 HG11 VAL 21 9.491 -2.432 3.728 165 HG12 VAL 21 HG12 VAL 21 10.372 -3.932 4.016 166 HG13 VAL 21 HG13 VAL 21 9.644 -3.625 2.439 167 HG21 VAL 21 HG21 VAL 21 10.710 -2.775 0.811 168 HG22 VAL 21 HG22 VAL 21 12.243 -1.910 0.914 169 HG23 VAL 21 HG23 VAL 21 10.742 -1.095 1.345 170 H PHE 22 H PHE 22 12.531 0.100 1.771 171 HA PHE 22 HA PHE 22 15.362 -0.288 1.847 172 HB2 PHE 22 HB2 PHE 22 13.377 1.453 0.514 173 HB3 PHE 22 HB3 PHE 22 15.007 2.121 0.598 174 HD1 PHE 22 HD1 PHE 22 16.951 0.759 -0.282 175 HD2 PHE 22 HD2 PHE 22 12.855 -0.340 -0.966 176 HE1 PHE 22 HE1 PHE 22 17.659 -0.728 -2.135 177 HE2 PHE 22 HE2 PHE 22 13.564 -1.827 -2.819 178 HZ PHE 22 HZ PHE 22 15.966 -2.020 -3.404 179 H PHE 23 H PHE 23 13.283 1.969 3.560 180 HA PHE 23 HA PHE 23 15.678 3.396 4.649 181 HB2 PHE 23 HB2 PHE 23 13.375 4.330 3.526 182 HB3 PHE 23 HB3 PHE 23 12.919 4.324 5.229 183 HD1 PHE 23 HD1 PHE 23 15.398 5.611 2.779 184 HD2 PHE 23 HD2 PHE 23 13.874 5.878 6.787 185 HE1 PHE 23 HE1 PHE 23 16.711 7.683 3.141 186 HE2 PHE 23 HE2 PHE 23 15.188 7.949 7.147 187 HZ PHE 23 HZ PHE 23 16.607 8.851 5.325 188 H TYR 24 H TYR 24 14.488 0.665 5.523 189 HA TYR 24 HA TYR 24 14.444 1.296 8.436 190 HB2 TYR 24 HB2 TYR 24 12.185 0.630 6.788 191 HB3 TYR 24 HB3 TYR 24 12.465 -0.694 7.915 192 HD1 TYR 24 HD1 TYR 24 12.399 -0.319 10.349 193 HD2 TYR 24 HD2 TYR 24 11.543 2.838 7.566 194 HE1 TYR 24 HE1 TYR 24 11.400 1.022 12.178 195 HE2 TYR 24 HE2 TYR 24 10.543 4.180 9.396 196 HH TYR 24 HH TYR 24 11.017 4.050 12.238 197 H LYS 25 H LYS 25 16.534 0.073 6.870 198 HA LYS 25 HA LYS 25 16.608 -2.612 8.166 199 HB2 LYS 25 HB2 LYS 25 15.730 -2.622 5.737 200 HB3 LYS 25 HB3 LYS 25 17.375 -2.190 5.270 201 HG2 LYS 25 HG2 LYS 25 17.950 -4.361 5.390 202 HG3 LYS 25 HG3 LYS 25 17.598 -4.331 7.118 203 HD2 LYS 25 HD2 LYS 25 15.263 -4.543 5.281 204 HD3 LYS 25 HD3 LYS 25 16.301 -5.963 5.415 205 HE2 LYS 25 HE2 LYS 25 16.088 -5.447 8.026 206 HE3 LYS 25 HE3 LYS 25 14.578 -4.677 7.502 207 HZ1 LYS 25 HZ1 LYS 25 15.447 -7.436 6.802 208 HZ2 LYS 25 HZ2 LYS 25 14.012 -6.691 6.282 209 HZ3 LYS 25 HZ3 LYS 25 14.242 -7.043 7.928 Start of MODEL 27 1 HA HIS 1 HA HIS 1 -13.343 5.332 3.942 2 HB2 HIS 1 HB2 HIS 1 -14.491 7.059 5.171 3 HB3 HIS 1 HB3 HIS 1 -13.313 7.859 4.137 4 HD1 HIS 1 HD1 HIS 1 -17.019 7.271 4.503 5 HD2 HIS 1 HD2 HIS 1 -14.429 9.493 2.106 6 HE1 HIS 1 HE1 HIS 1 -18.464 8.879 3.184 7 H ALA 2 H ALA 2 -15.708 6.238 1.450 8 HA ALA 2 HA ALA 2 -17.610 4.220 2.600 9 HB1 ALA 2 HB1 ALA 2 -18.611 6.379 2.605 10 HB2 ALA 2 HB2 ALA 2 -19.251 5.603 1.157 11 HB3 ALA 2 HB3 ALA 2 -17.944 6.778 1.022 12 H TRP 3 H TRP 3 -17.522 2.341 1.449 13 HA TRP 3 HA TRP 3 -17.520 0.850 -0.370 14 HB2 TRP 3 HB2 TRP 3 -18.953 3.097 -1.139 15 HB3 TRP 3 HB3 TRP 3 -17.778 2.919 -2.441 16 HD1 TRP 3 HD1 TRP 3 -17.989 0.847 -4.024 17 HE1 TRP 3 HE1 TRP 3 -19.793 -0.972 -4.323 18 HE3 TRP 3 HE3 TRP 3 -20.754 1.642 0.196 19 HZ2 TRP 3 HZ2 TRP 3 -22.102 -1.958 -2.953 20 HZ3 TRP 3 HZ3 TRP 3 -22.748 0.250 0.673 21 HH2 TRP 3 HH2 TRP 3 -23.425 -1.548 -0.895 22 H TYR 4 H TYR 4 -16.054 0.060 -1.956 23 HA TYR 4 HA TYR 4 -13.785 -0.322 -2.540 24 HB2 TYR 4 HB2 TYR 4 -13.237 1.140 -4.425 25 HB3 TYR 4 HB3 TYR 4 -14.948 0.741 -4.448 26 HD1 TYR 4 HD1 TYR 4 -16.649 2.438 -3.920 27 HD2 TYR 4 HD2 TYR 4 -12.464 3.406 -3.939 28 HE1 TYR 4 HE1 TYR 4 -17.206 4.854 -3.962 29 HE2 TYR 4 HE2 TYR 4 -13.023 5.820 -3.989 30 HH TYR 4 HH TYR 4 -15.689 7.106 -3.115 31 H SER 5 H SER 5 -13.805 0.798 0.060 32 HA SER 5 HA SER 5 -11.472 2.684 -0.030 33 HB2 SER 5 HB2 SER 5 -13.783 2.294 1.877 34 HB3 SER 5 HB3 SER 5 -12.356 3.221 2.329 35 HG SER 5 HG SER 5 -14.126 3.686 0.149 36 H HIS 6 H HIS 6 -12.031 -0.522 0.337 37 HA HIS 6 HA HIS 6 -10.246 -0.877 2.703 38 HB2 HIS 6 HB2 HIS 6 -12.100 -2.681 1.128 39 HB3 HIS 6 HB3 HIS 6 -11.011 -3.301 2.367 40 HD1 HIS 6 HD1 HIS 6 -14.379 -2.351 2.063 41 HD2 HIS 6 HD2 HIS 6 -11.441 -1.467 4.885 42 HE1 HIS 6 HE1 HIS 6 -15.596 -1.604 4.154 43 H TYR 7 H TYR 7 -10.578 -1.855 -0.703 44 HA TYR 7 HA TYR 7 -8.134 -3.331 -0.896 45 HB2 TYR 7 HB2 TYR 7 -9.945 -1.868 -2.817 46 HB3 TYR 7 HB3 TYR 7 -8.469 -2.641 -3.394 47 HD1 TYR 7 HD1 TYR 7 -8.148 -5.100 -3.126 48 HD2 TYR 7 HD2 TYR 7 -11.851 -3.165 -2.124 49 HE1 TYR 7 HE1 TYR 7 -9.297 -7.298 -3.120 50 HE2 TYR 7 HE2 TYR 7 -12.997 -5.363 -2.118 51 HH TYR 7 HH TYR 7 -12.196 -7.856 -3.499 52 H VAL 8 H VAL 8 -8.864 0.115 -1.296 53 HA VAL 8 HA VAL 8 -6.275 0.911 -2.267 54 HB VAL 8 HB VAL 8 -8.430 2.222 -2.356 55 HG11 VAL 8 HG11 VAL 8 -7.813 2.846 0.546 56 HG12 VAL 8 HG12 VAL 8 -9.072 1.723 0.031 57 HG13 VAL 8 HG13 VAL 8 -9.183 3.429 -0.400 58 HG21 VAL 8 HG21 VAL 8 -7.363 4.404 -1.937 59 HG22 VAL 8 HG22 VAL 8 -6.234 3.304 -2.728 60 HG23 VAL 8 HG23 VAL 8 -6.098 3.612 -0.997 61 H LEU 9 H LEU 9 -7.570 0.303 0.956 62 HA LEU 9 HA LEU 9 -5.415 1.501 2.469 63 HB2 LEU 9 HB2 LEU 9 -7.699 0.931 3.314 64 HB3 LEU 9 HB3 LEU 9 -7.313 -0.780 3.139 65 HG LEU 9 HG LEU 9 -5.234 0.594 4.630 66 HD11 LEU 9 HD11 LEU 9 -8.101 0.945 5.491 67 HD12 LEU 9 HD12 LEU 9 -6.790 2.125 5.506 68 HD13 LEU 9 HD13 LEU 9 -6.815 0.820 6.692 69 HD21 LEU 9 HD21 LEU 9 -7.191 -1.628 5.304 70 HD22 LEU 9 HD22 LEU 9 -5.765 -1.214 6.257 71 HD23 LEU 9 HD23 LEU 9 -5.580 -1.837 4.618 72 H LYS 10 H LYS 10 -6.060 -1.811 1.272 73 HA LYS 10 HA LYS 10 -3.648 -2.979 2.401 74 HB2 LYS 10 HB2 LYS 10 -5.768 -3.714 0.393 75 HB3 LYS 10 HB3 LYS 10 -4.317 -4.709 0.508 76 HG2 LYS 10 HG2 LYS 10 -4.749 -4.833 3.018 77 HG3 LYS 10 HG3 LYS 10 -6.328 -4.116 2.692 78 HD2 LYS 10 HD2 LYS 10 -6.851 -5.972 1.146 79 HD3 LYS 10 HD3 LYS 10 -5.278 -6.695 1.485 80 HE2 LYS 10 HE2 LYS 10 -5.884 -6.937 3.869 81 HE3 LYS 10 HE3 LYS 10 -7.465 -6.200 3.542 82 HZ1 LYS 10 HZ1 LYS 10 -6.387 -8.662 2.263 83 HZ2 LYS 10 HZ2 LYS 10 -7.875 -7.932 1.883 84 HZ3 LYS 10 HZ3 LYS 10 -7.624 -8.607 3.422 85 H PHE 11 H PHE 11 -4.557 -1.753 -0.835 86 HA PHE 11 HA PHE 11 -2.090 -2.348 -2.167 87 HB2 PHE 11 HB2 PHE 11 -4.358 -1.696 -3.128 88 HB3 PHE 11 HB3 PHE 11 -3.987 -0.033 -2.675 89 HD1 PHE 11 HD1 PHE 11 -2.193 1.215 -3.793 90 HD2 PHE 11 HD2 PHE 11 -3.142 -2.819 -4.924 91 HE1 PHE 11 HE1 PHE 11 -0.870 1.485 -5.872 92 HE2 PHE 11 HE2 PHE 11 -1.818 -2.548 -7.003 93 HZ PHE 11 HZ PHE 11 -0.682 -0.395 -7.478 94 H PHE 12 H PHE 12 -3.210 0.601 -0.460 95 HA PHE 12 HA PHE 12 -0.941 2.251 -0.956 96 HB2 PHE 12 HB2 PHE 12 -2.986 3.143 -0.045 97 HB3 PHE 12 HB3 PHE 12 -2.930 2.035 1.326 98 HD1 PHE 12 HD1 PHE 12 -0.951 4.775 -0.301 99 HD2 PHE 12 HD2 PHE 12 -1.952 2.724 3.339 100 HE1 PHE 12 HE1 PHE 12 0.363 6.431 0.994 101 HE2 PHE 12 HE2 PHE 12 -0.639 4.382 4.634 102 HZ PHE 12 HZ PHE 12 0.519 6.236 3.461 103 H LEU 13 H LEU 13 -1.594 -0.026 1.733 104 HA LEU 13 HA LEU 13 0.798 0.418 3.221 105 HB2 LEU 13 HB2 LEU 13 -1.378 -0.897 3.743 106 HB3 LEU 13 HB3 LEU 13 -0.603 -2.244 2.911 107 HG LEU 13 HG LEU 13 1.415 -1.761 4.483 108 HD11 LEU 13 HD11 LEU 13 0.664 0.369 5.372 109 HD12 LEU 13 HD12 LEU 13 0.662 -0.810 6.683 110 HD13 LEU 13 HD13 LEU 13 -0.855 -0.347 5.913 111 HD21 LEU 13 HD21 LEU 13 -0.063 -3.759 4.605 112 HD22 LEU 13 HD22 LEU 13 -1.178 -2.851 5.628 113 HD23 LEU 13 HD23 LEU 13 0.447 -3.220 6.205 114 H LEU 14 H LEU 14 0.102 -1.848 0.544 115 HA LEU 14 HA LEU 14 2.609 -3.223 0.527 116 HB2 LEU 14 HB2 LEU 14 0.366 -3.690 -0.679 117 HB3 LEU 14 HB3 LEU 14 0.937 -2.554 -1.902 118 HG LEU 14 HG LEU 14 2.943 -4.568 -1.133 119 HD11 LEU 14 HD11 LEU 14 0.843 -5.911 -0.972 120 HD12 LEU 14 HD12 LEU 14 1.878 -6.427 -2.304 121 HD13 LEU 14 HD13 LEU 14 0.450 -5.442 -2.628 122 HD21 LEU 14 HD21 LEU 14 1.773 -3.942 -3.853 123 HD22 LEU 14 HD22 LEU 14 3.387 -4.545 -3.475 124 HD23 LEU 14 HD23 LEU 14 2.951 -2.884 -3.075 125 H VAL 15 H VAL 15 1.516 -0.332 -1.241 126 HA VAL 15 HA VAL 15 3.945 0.146 -2.701 127 HB VAL 15 HB VAL 15 1.736 1.996 -1.724 128 HG11 VAL 15 HG11 VAL 15 3.707 2.407 -3.994 129 HG12 VAL 15 HG12 VAL 15 3.831 3.189 -2.418 130 HG13 VAL 15 HG13 VAL 15 2.457 3.534 -3.468 131 HG21 VAL 15 HG21 VAL 15 1.531 -0.132 -3.446 132 HG22 VAL 15 HG22 VAL 15 1.896 1.183 -4.563 133 HG23 VAL 15 HG23 VAL 15 0.491 1.291 -3.501 134 H PHE 16 H PHE 16 2.838 1.132 0.531 135 HA PHE 16 HA PHE 16 4.915 3.020 1.129 136 HB2 PHE 16 HB2 PHE 16 2.645 2.353 2.293 137 HB3 PHE 16 HB3 PHE 16 3.652 1.199 3.169 138 HD1 PHE 16 HD1 PHE 16 5.512 1.988 4.608 139 HD2 PHE 16 HD2 PHE 16 2.820 4.729 2.686 140 HE1 PHE 16 HE1 PHE 16 6.282 3.801 6.114 141 HE2 PHE 16 HE2 PHE 16 3.590 6.542 4.192 142 HZ PHE 16 HZ PHE 16 5.321 6.078 5.907 143 H GLY 17 H GLY 17 4.694 -0.519 1.583 144 HA2 GLY 17 HA2 GLY 17 7.169 -0.832 3.005 145 HA3 GLY 17 HA3 GLY 17 6.347 -2.107 2.103 146 H GLU 18 H GLU 18 6.365 -0.954 -0.472 147 HA GLU 18 HA GLU 18 8.947 -1.662 -1.453 148 HB2 GLU 18 HB2 GLU 18 6.671 -1.518 -2.637 149 HB3 GLU 18 HB3 GLU 18 6.966 0.216 -2.764 150 HG2 GLU 18 HG2 GLU 18 8.129 -0.207 -4.649 151 HG3 GLU 18 HG3 GLU 18 9.351 -0.979 -3.639 152 H ASN 19 H ASN 19 7.541 1.482 -0.609 153 HA ASN 19 HA ASN 19 9.672 3.147 -1.557 154 HB2 ASN 19 HB2 ASN 19 7.390 3.312 0.357 155 HB3 ASN 19 HB3 ASN 19 8.646 4.541 0.515 156 HD21 ASN 19 HD21 ASN 19 6.185 3.237 -1.698 157 HD22 ASN 19 HD22 ASN 19 6.214 4.551 -2.772 158 H GLY 20 H GLY 20 9.123 1.504 1.538 159 HA2 GLY 20 HA2 GLY 20 11.490 2.588 2.823 160 HA3 GLY 20 HA3 GLY 20 10.531 1.225 3.408 161 H VAL 21 H VAL 21 10.708 -0.464 1.134 162 HA VAL 21 HA VAL 21 13.255 -1.736 1.570 163 HB VAL 21 HB VAL 21 11.041 -2.012 -0.477 164 HG11 VAL 21 HG11 VAL 21 13.615 -3.568 -0.179 165 HG12 VAL 21 HG12 VAL 21 12.912 -2.884 -1.645 166 HG13 VAL 21 HG13 VAL 21 12.175 -4.297 -0.891 167 HG21 VAL 21 HG21 VAL 21 10.721 -2.613 1.994 168 HG22 VAL 21 HG22 VAL 21 11.896 -3.901 1.730 169 HG23 VAL 21 HG23 VAL 21 10.376 -3.897 0.836 170 H PHE 22 H PHE 22 12.077 0.484 -0.922 171 HA PHE 22 HA PHE 22 14.445 0.224 -2.613 172 HB2 PHE 22 HB2 PHE 22 11.916 1.794 -2.512 173 HB3 PHE 22 HB3 PHE 22 13.240 2.491 -3.443 174 HD1 PHE 22 HD1 PHE 22 11.636 -0.869 -2.907 175 HD2 PHE 22 HD2 PHE 22 13.380 1.901 -5.689 176 HE1 PHE 22 HE1 PHE 22 11.162 -2.438 -4.767 177 HE2 PHE 22 HE2 PHE 22 12.905 0.331 -7.548 178 HZ PHE 22 HZ PHE 22 11.795 -1.837 -7.087 179 H PHE 23 H PHE 23 13.684 2.026 0.232 180 HA PHE 23 HA PHE 23 15.978 3.891 -0.265 181 HB2 PHE 23 HB2 PHE 23 13.366 4.032 1.207 182 HB3 PHE 23 HB3 PHE 23 14.707 5.020 1.783 183 HD1 PHE 23 HD1 PHE 23 12.620 4.251 -1.210 184 HD2 PHE 23 HD2 PHE 23 15.387 6.982 0.618 185 HE1 PHE 23 HE1 PHE 23 12.193 5.891 -3.017 186 HE2 PHE 23 HE2 PHE 23 14.960 8.622 -1.192 187 HZ PHE 23 HZ PHE 23 13.363 8.076 -3.008 188 H TYR 24 H TYR 24 16.617 1.279 0.496 189 HA TYR 24 HA TYR 24 17.817 1.728 3.170 190 HB2 TYR 24 HB2 TYR 24 15.397 0.392 2.852 191 HB3 TYR 24 HB3 TYR 24 16.573 -0.918 2.939 192 HD1 TYR 24 HD1 TYR 24 18.157 -1.038 4.893 193 HD2 TYR 24 HD2 TYR 24 14.849 1.699 4.775 194 HE1 TYR 24 HE1 TYR 24 18.329 -0.724 7.347 195 HE2 TYR 24 HE2 TYR 24 15.022 2.014 7.228 196 HH TYR 24 HH TYR 24 16.227 0.183 9.235 197 H LYS 25 H LYS 25 19.198 1.670 0.774 198 HA LYS 25 HA LYS 25 20.575 -0.995 0.862 199 HB2 LYS 25 HB2 LYS 25 18.996 -0.396 -1.133 200 HB3 LYS 25 HB3 LYS 25 20.300 0.683 -1.630 201 HG2 LYS 25 HG2 LYS 25 21.049 -2.111 -0.897 202 HG3 LYS 25 HG3 LYS 25 20.200 -1.877 -2.425 203 HD2 LYS 25 HD2 LYS 25 21.997 -0.907 -3.403 204 HD3 LYS 25 HD3 LYS 25 22.333 0.091 -1.988 205 HE2 LYS 25 HE2 LYS 25 22.908 -2.650 -1.321 206 HE3 LYS 25 HE3 LYS 25 23.745 -2.236 -2.829 207 HZ1 LYS 25 HZ1 LYS 25 23.750 -0.575 -0.358 208 HZ2 LYS 25 HZ2 LYS 25 24.579 -0.226 -1.802 209 HZ3 LYS 25 HZ3 LYS 25 25.029 -1.567 -0.865 Start of MODEL 28 1 HA HIS 1 HA HIS 1 -20.679 1.035 2.290 2 HB2 HIS 1 HB2 HIS 1 -20.732 2.768 0.459 3 HB3 HIS 1 HB3 HIS 1 -20.334 1.493 -0.693 4 HD1 HIS 1 HD1 HIS 1 -23.116 2.780 1.462 5 HD2 HIS 1 HD2 HIS 1 -22.444 -0.383 -1.170 6 HE1 HIS 1 HE1 HIS 1 -25.379 1.745 0.989 7 H ALA 2 H ALA 2 -19.020 -0.189 -0.670 8 HA ALA 2 HA ALA 2 -20.018 -2.930 -0.009 9 HB1 ALA 2 HB1 ALA 2 -18.804 -1.753 -2.531 10 HB2 ALA 2 HB2 ALA 2 -20.533 -1.898 -2.211 11 HB3 ALA 2 HB3 ALA 2 -19.543 -3.348 -2.389 12 H TRP 3 H TRP 3 -18.000 -2.278 1.675 13 HA TRP 3 HA TRP 3 -15.851 -2.908 2.415 14 HB2 TRP 3 HB2 TRP 3 -17.106 -5.041 1.335 15 HB3 TRP 3 HB3 TRP 3 -15.712 -4.966 0.259 16 HD1 TRP 3 HD1 TRP 3 -16.620 -5.370 3.964 17 HE1 TRP 3 HE1 TRP 3 -14.622 -6.449 5.186 18 HE3 TRP 3 HE3 TRP 3 -13.177 -5.382 0.193 19 HZ2 TRP 3 HZ2 TRP 3 -11.921 -7.215 4.637 20 HZ3 TRP 3 HZ3 TRP 3 -10.903 -6.292 0.569 21 HH2 TRP 3 HH2 TRP 3 -10.272 -7.207 2.784 22 H TYR 4 H TYR 4 -15.963 -0.811 0.358 23 HA TYR 4 HA TYR 4 -13.589 -1.397 -1.348 24 HB2 TYR 4 HB2 TYR 4 -15.993 -0.227 -1.867 25 HB3 TYR 4 HB3 TYR 4 -15.016 1.198 -1.511 26 HD1 TYR 4 HD1 TYR 4 -15.232 -1.840 -3.646 27 HD2 TYR 4 HD2 TYR 4 -13.333 1.963 -3.026 28 HE1 TYR 4 HE1 TYR 4 -14.187 -1.996 -5.889 29 HE2 TYR 4 HE2 TYR 4 -12.290 1.807 -5.268 30 HH TYR 4 HH TYR 4 -11.752 -0.647 -6.879 31 H SER 5 H SER 5 -13.606 -0.698 1.689 32 HA SER 5 HA SER 5 -11.872 1.742 1.552 33 HB2 SER 5 HB2 SER 5 -12.418 1.750 4.063 34 HB3 SER 5 HB3 SER 5 -13.762 2.077 2.975 35 HG SER 5 HG SER 5 -13.147 -0.258 4.433 36 H HIS 6 H HIS 6 -11.525 -1.520 1.506 37 HA HIS 6 HA HIS 6 -9.205 -1.578 3.394 38 HB2 HIS 6 HB2 HIS 6 -10.639 -3.877 2.028 39 HB3 HIS 6 HB3 HIS 6 -9.549 -3.974 3.409 40 HD1 HIS 6 HD1 HIS 6 -13.073 -3.209 2.470 41 HD2 HIS 6 HD2 HIS 6 -10.695 -3.029 5.890 42 HE1 HIS 6 HE1 HIS 6 -14.650 -2.873 4.423 43 H TYR 7 H TYR 7 -10.191 -2.236 0.055 44 HA TYR 7 HA TYR 7 -7.754 -3.315 -0.943 45 HB2 TYR 7 HB2 TYR 7 -9.851 -1.551 -2.255 46 HB3 TYR 7 HB3 TYR 7 -8.649 -2.492 -3.132 47 HD1 TYR 7 HD1 TYR 7 -8.529 -5.074 -2.114 48 HD2 TYR 7 HD2 TYR 7 -11.966 -2.499 -2.221 49 HE1 TYR 7 HE1 TYR 7 -10.018 -7.055 -2.023 50 HE2 TYR 7 HE2 TYR 7 -13.454 -4.479 -2.128 51 HH TYR 7 HH TYR 7 -12.768 -7.245 -1.097 52 H VAL 8 H VAL 8 -8.871 0.058 -0.741 53 HA VAL 8 HA VAL 8 -6.590 1.293 -1.934 54 HB VAL 8 HB VAL 8 -8.821 2.334 -1.469 55 HG11 VAL 8 HG11 VAL 8 -8.947 1.331 0.880 56 HG12 VAL 8 HG12 VAL 8 -9.449 3.015 0.731 57 HG13 VAL 8 HG13 VAL 8 -7.859 2.624 1.385 58 HG21 VAL 8 HG21 VAL 8 -6.484 3.781 -0.183 59 HG22 VAL 8 HG22 VAL 8 -7.948 4.535 -0.814 60 HG23 VAL 8 HG23 VAL 8 -6.822 3.738 -1.913 61 H LEU 9 H LEU 9 -7.179 0.113 1.336 62 HA LEU 9 HA LEU 9 -4.850 1.361 2.553 63 HB2 LEU 9 HB2 LEU 9 -7.099 0.301 3.506 64 HB3 LEU 9 HB3 LEU 9 -6.120 -1.166 3.561 65 HG LEU 9 HG LEU 9 -4.348 0.289 4.754 66 HD11 LEU 9 HD11 LEU 9 -6.822 2.024 5.025 67 HD12 LEU 9 HD12 LEU 9 -5.292 2.476 4.273 68 HD13 LEU 9 HD13 LEU 9 -5.373 2.206 6.013 69 HD21 LEU 9 HD21 LEU 9 -7.010 -0.364 6.058 70 HD22 LEU 9 HD22 LEU 9 -5.531 0.006 6.946 71 HD23 LEU 9 HD23 LEU 9 -5.612 -1.432 5.929 72 H LYS 10 H LYS 10 -5.545 -1.849 1.129 73 HA LYS 10 HA LYS 10 -3.021 -3.069 1.787 74 HB2 LYS 10 HB2 LYS 10 -5.300 -4.025 0.918 75 HB3 LYS 10 HB3 LYS 10 -4.646 -3.674 -0.683 76 HG2 LYS 10 HG2 LYS 10 -2.657 -5.043 -0.177 77 HG3 LYS 10 HG3 LYS 10 -3.304 -5.394 1.426 78 HD2 LYS 10 HD2 LYS 10 -5.022 -6.738 0.586 79 HD3 LYS 10 HD3 LYS 10 -4.964 -5.988 -1.009 80 HE2 LYS 10 HE2 LYS 10 -3.111 -7.240 -1.683 81 HE3 LYS 10 HE3 LYS 10 -2.555 -7.497 -0.017 82 HZ1 LYS 10 HZ1 LYS 10 -4.409 -8.925 0.405 83 HZ2 LYS 10 HZ2 LYS 10 -3.650 -9.475 -1.011 84 HZ3 LYS 10 HZ3 LYS 10 -5.096 -8.589 -1.110 85 H PHE 11 H PHE 11 -4.147 -1.221 -1.054 86 HA PHE 11 HA PHE 11 -1.815 -1.519 -2.687 87 HB2 PHE 11 HB2 PHE 11 -4.069 -0.660 -3.366 88 HB3 PHE 11 HB3 PHE 11 -3.757 0.808 -2.442 89 HD1 PHE 11 HD1 PHE 11 -2.362 -1.289 -5.212 90 HD2 PHE 11 HD2 PHE 11 -2.602 2.608 -3.422 91 HE1 PHE 11 HE1 PHE 11 -1.151 -0.325 -7.148 92 HE2 PHE 11 HE2 PHE 11 -1.392 3.574 -5.360 93 HZ PHE 11 HZ PHE 11 -0.666 2.107 -7.223 94 H PHE 12 H PHE 12 -2.696 0.950 -0.249 95 HA PHE 12 HA PHE 12 -0.431 2.657 -0.523 96 HB2 PHE 12 HB2 PHE 12 -2.581 2.071 1.401 97 HB3 PHE 12 HB3 PHE 12 -1.114 2.675 2.170 98 HD1 PHE 12 HD1 PHE 12 -3.553 3.392 -0.569 99 HD2 PHE 12 HD2 PHE 12 -0.535 4.964 2.054 100 HE1 PHE 12 HE1 PHE 12 -4.108 5.693 -1.308 101 HE2 PHE 12 HE2 PHE 12 -1.090 7.264 1.313 102 HZ PHE 12 HZ PHE 12 -2.875 7.628 -0.368 103 H LEU 13 H LEU 13 -0.918 -0.277 1.452 104 HA LEU 13 HA LEU 13 1.687 -0.195 2.727 105 HB2 LEU 13 HB2 LEU 13 -0.561 -1.395 3.335 106 HB3 LEU 13 HB3 LEU 13 0.019 -2.665 2.256 107 HG LEU 13 HG LEU 13 1.998 -1.671 4.228 108 HD11 LEU 13 HD11 LEU 13 -0.042 -1.686 5.605 109 HD12 LEU 13 HD12 LEU 13 1.017 -3.022 6.057 110 HD13 LEU 13 HD13 LEU 13 -0.407 -3.323 5.062 111 HD21 LEU 13 HD21 LEU 13 2.789 -3.853 4.078 112 HD22 LEU 13 HD22 LEU 13 2.014 -3.692 2.502 113 HD23 LEU 13 HD23 LEU 13 1.181 -4.527 3.813 114 H LEU 14 H LEU 14 0.399 -1.739 -0.216 115 HA LEU 14 HA LEU 14 2.822 -3.273 -0.743 116 HB2 LEU 14 HB2 LEU 14 0.287 -3.569 -1.463 117 HB3 LEU 14 HB3 LEU 14 0.782 -2.563 -2.825 118 HG LEU 14 HG LEU 14 2.789 -4.233 -3.004 119 HD11 LEU 14 HD11 LEU 14 0.738 -5.945 -1.569 120 HD12 LEU 14 HD12 LEU 14 2.239 -5.368 -0.844 121 HD13 LEU 14 HD13 LEU 14 2.291 -6.482 -2.210 122 HD21 LEU 14 HD21 LEU 14 -0.045 -5.047 -3.729 123 HD22 LEU 14 HD22 LEU 14 1.422 -5.701 -4.459 124 HD23 LEU 14 HD23 LEU 14 1.004 -4.003 -4.688 125 H VAL 15 H VAL 15 1.843 -0.010 -1.349 126 HA VAL 15 HA VAL 15 3.975 0.319 -3.424 127 HB VAL 15 HB VAL 15 1.542 1.938 -2.599 128 HG11 VAL 15 HG11 VAL 15 3.876 2.653 -4.369 129 HG12 VAL 15 HG12 VAL 15 3.075 3.639 -3.145 130 HG13 VAL 15 HG13 VAL 15 2.275 3.323 -4.686 131 HG21 VAL 15 HG21 VAL 15 2.121 1.033 -5.388 132 HG22 VAL 15 HG22 VAL 15 0.575 1.180 -4.555 133 HG23 VAL 15 HG23 VAL 15 1.626 -0.195 -4.223 134 H PHE 16 H PHE 16 2.604 2.299 -0.755 135 HA PHE 16 HA PHE 16 5.074 3.737 -0.298 136 HB2 PHE 16 HB2 PHE 16 2.592 4.327 0.218 137 HB3 PHE 16 HB3 PHE 16 2.819 3.367 1.680 138 HD1 PHE 16 HD1 PHE 16 3.850 6.416 -0.130 139 HD2 PHE 16 HD2 PHE 16 4.292 4.108 3.467 140 HE1 PHE 16 HE1 PHE 16 4.962 8.341 0.969 141 HE2 PHE 16 HE2 PHE 16 5.401 6.035 4.566 142 HZ PHE 16 HZ PHE 16 5.737 8.151 3.316 143 H GLY 17 H GLY 17 3.570 0.857 1.184 144 HA2 GLY 17 HA2 GLY 17 5.426 0.650 3.383 145 HA3 GLY 17 HA3 GLY 17 4.411 -0.658 2.774 146 H GLU 18 H GLU 18 5.306 -0.899 0.155 147 HA GLU 18 HA GLU 18 7.708 -2.432 0.450 148 HB2 GLU 18 HB2 GLU 18 6.123 -1.328 -1.869 149 HB3 GLU 18 HB3 GLU 18 7.585 -2.282 -2.134 150 HG2 GLU 18 HG2 GLU 18 5.293 -3.241 -0.401 151 HG3 GLU 18 HG3 GLU 18 5.411 -3.609 -2.123 152 H ASN 19 H ASN 19 7.165 0.942 -0.381 153 HA ASN 19 HA ASN 19 9.743 1.505 -1.519 154 HB2 ASN 19 HB2 ASN 19 7.401 2.951 -0.446 155 HB3 ASN 19 HB3 ASN 19 8.918 3.844 -0.341 156 HD21 ASN 19 HD21 ASN 19 6.776 2.152 -2.667 157 HD22 ASN 19 HD22 ASN 19 7.351 2.978 -4.033 158 H GLY 20 H GLY 20 8.657 1.072 1.774 159 HA2 GLY 20 HA2 GLY 20 11.304 2.022 2.785 160 HA3 GLY 20 HA3 GLY 20 9.841 1.939 3.762 161 H VAL 21 H VAL 21 9.084 -0.743 2.702 162 HA VAL 21 HA VAL 21 10.813 -2.329 4.504 163 HB VAL 21 HB VAL 21 8.290 -2.975 2.944 164 HG11 VAL 21 HG11 VAL 21 9.839 -4.486 5.061 165 HG12 VAL 21 HG12 VAL 21 9.374 -5.044 3.454 166 HG13 VAL 21 HG13 VAL 21 8.146 -4.828 4.701 167 HG21 VAL 21 HG21 VAL 21 8.669 -2.330 5.887 168 HG22 VAL 21 HG22 VAL 21 7.138 -2.625 5.064 169 HG23 VAL 21 HG23 VAL 21 8.076 -1.180 4.689 170 H PHE 22 H PHE 22 10.243 -1.984 1.049 171 HA PHE 22 HA PHE 22 11.933 -4.395 0.515 172 HB2 PHE 22 HB2 PHE 22 9.514 -3.487 -0.511 173 HB3 PHE 22 HB3 PHE 22 10.677 -3.038 -1.759 174 HD1 PHE 22 HD1 PHE 22 9.620 -5.908 0.398 175 HD2 PHE 22 HD2 PHE 22 11.506 -4.656 -3.253 176 HE1 PHE 22 HE1 PHE 22 9.720 -8.267 -0.360 177 HE2 PHE 22 HE2 PHE 22 11.606 -7.015 -4.011 178 HZ PHE 22 HZ PHE 22 10.714 -8.821 -2.564 179 H PHE 23 H PHE 23 12.823 -1.490 1.251 180 HA PHE 23 HA PHE 23 14.890 -1.318 -0.884 181 HB2 PHE 23 HB2 PHE 23 12.576 0.334 -0.682 182 HB3 PHE 23 HB3 PHE 23 13.960 1.326 -0.223 183 HD1 PHE 23 HD1 PHE 23 12.413 -0.650 -2.920 184 HD2 PHE 23 HD2 PHE 23 15.772 1.782 -1.798 185 HE1 PHE 23 HE1 PHE 23 13.071 -0.459 -5.303 186 HE2 PHE 23 HE2 PHE 23 16.430 1.971 -4.181 187 HZ PHE 23 HZ PHE 23 15.080 0.851 -5.933 188 H TYR 24 H TYR 24 14.978 -2.142 1.940 189 HA TYR 24 HA TYR 24 17.140 -0.370 2.850 190 HB2 TYR 24 HB2 TYR 24 15.218 0.854 3.646 191 HB3 TYR 24 HB3 TYR 24 14.465 -0.620 4.252 192 HD1 TYR 24 HD1 TYR 24 17.743 1.195 4.600 193 HD2 TYR 24 HD2 TYR 24 14.591 -0.983 6.541 194 HE1 TYR 24 HE1 TYR 24 18.870 1.512 6.786 195 HE2 TYR 24 HE2 TYR 24 15.717 -0.666 8.725 196 HH TYR 24 HH TYR 24 18.486 -0.182 9.310 197 H LYS 25 H LYS 25 14.881 -2.770 4.244 198 HA LYS 25 HA LYS 25 17.039 -4.757 4.533 199 HB2 LYS 25 HB2 LYS 25 16.586 -2.834 6.526 200 HB3 LYS 25 HB3 LYS 25 15.787 -4.287 7.126 201 HG2 LYS 25 HG2 LYS 25 18.605 -4.330 6.022 202 HG3 LYS 25 HG3 LYS 25 18.263 -4.038 7.728 203 HD2 LYS 25 HD2 LYS 25 16.748 -6.234 7.376 204 HD3 LYS 25 HD3 LYS 25 17.964 -6.539 6.136 205 HE2 LYS 25 HE2 LYS 25 18.975 -7.520 8.010 206 HE3 LYS 25 HE3 LYS 25 19.650 -5.881 8.090 207 HZ1 LYS 25 HZ1 LYS 25 17.781 -5.234 9.508 208 HZ2 LYS 25 HZ2 LYS 25 18.683 -6.488 10.216 209 HZ3 LYS 25 HZ3 LYS 25 17.192 -6.825 9.477
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