NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
595008 | 2n6z | 25787 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ASP 14 HT1 ASP 14 0.887 6.606 0.654 2 HA ASP 14 HA ASP 14 3.260 6.363 1.156 3 HB2 ASP 14 HB2 ASP 14 3.454 3.938 0.886 4 HB3 ASP 14 HB3 ASP 14 1.766 4.314 1.237 5 H ASN 15 H ASN 15 5.050 4.668 -0.217 6 HA ASN 15 HA ASN 15 5.583 6.312 -2.563 7 HB2 ASN 15 HB2 ASN 15 7.510 6.099 -1.050 8 HB3 ASN 15 HB3 ASN 15 7.385 4.343 -1.105 9 HD21 ASN 15 HD21 ASN 15 9.471 4.073 -1.921 10 HD22 ASN 15 HD22 ASN 15 9.898 4.478 -3.536 11 H ARG 16 H ARG 16 4.559 5.701 -4.163 12 HA ARG 16 HA ARG 16 3.738 3.049 -4.697 13 HB2 ARG 16 HB2 ARG 16 3.828 5.477 -6.476 14 HB3 ARG 16 HB3 ARG 16 3.006 3.974 -6.870 15 HG2 ARG 16 HG2 ARG 16 2.401 5.579 -4.425 16 HG3 ARG 16 HG3 ARG 16 1.558 5.862 -5.955 17 HD2 ARG 16 HD2 ARG 16 0.147 4.414 -4.643 18 HD3 ARG 16 HD3 ARG 16 0.869 3.413 -5.892 19 HE ARG 16 HE ARG 16 1.694 3.476 -3.056 20 HH11 ARG 16 HH11 ARG 16 1.271 1.638 -6.066 21 HH12 ARG 16 HH12 ARG 16 1.842 0.169 -5.409 22 HH21 ARG 16 HH21 ARG 16 2.472 1.565 -2.205 23 HH22 ARG 16 HH22 ARG 16 2.555 0.095 -3.077 24 H HIS 17 H HIS 17 6.584 4.820 -5.385 25 HA HIS 17 HA HIS 17 7.421 3.157 -7.482 26 HB2 HIS 17 HB2 HIS 17 8.785 5.356 -6.007 27 HB3 HIS 17 HB3 HIS 17 9.751 4.240 -6.973 28 HD1 HIS 17 HD1 HIS 17 8.574 7.433 -7.452 29 HD2 HIS 17 HD2 HIS 17 8.055 3.897 -9.575 30 HE1 HIS 17 HE1 HIS 17 7.915 8.111 -9.792 31 H ALA 18 H ALA 18 7.378 2.662 -4.163 32 HA ALA 18 HA ALA 18 9.590 0.917 -3.947 33 HB1 ALA 18 HB1 ALA 18 8.500 -0.016 -2.004 34 HB2 ALA 18 HB2 ALA 18 6.968 0.759 -2.442 35 HB3 ALA 18 HB3 ALA 18 8.374 1.738 -1.989 36 H ALA 19 H ALA 19 6.665 0.606 -5.672 37 HA ALA 19 HA ALA 19 6.471 -2.201 -5.865 38 HB1 ALA 19 HB1 ALA 19 5.674 -0.100 -7.886 39 HB2 ALA 19 HB2 ALA 19 4.665 -0.683 -6.563 40 HB3 ALA 19 HB3 ALA 19 5.128 -1.777 -7.868 41 H ASP 20 H ASP 20 8.713 0.062 -7.165 42 HA ASP 20 HA ASP 20 9.608 -1.207 -9.474 43 HB2 ASP 20 HB2 ASP 20 10.212 1.109 -8.641 44 HB3 ASP 20 HB3 ASP 20 11.308 0.356 -7.498 45 H TYR 21 H TYR 21 10.269 -1.667 -6.046 46 HA TYR 21 HA TYR 21 12.344 -3.619 -6.012 47 HB2 TYR 21 HB2 TYR 21 11.904 -2.750 -3.885 48 HB3 TYR 21 HB3 TYR 21 10.163 -2.766 -4.125 49 HD1 TYR 21 HD2 TYR 21 13.064 -5.060 -3.640 50 HD2 TYR 21 HD1 TYR 21 8.886 -4.451 -3.170 51 HE1 TYR 21 HE2 TYR 21 12.886 -7.182 -2.469 52 HE2 TYR 21 HE1 TYR 21 8.694 -6.585 -1.992 53 HH TYR 21 HH TYR 21 11.353 -8.440 -0.862 54 H GLN 22 H GLN 22 8.898 -3.939 -6.522 55 HA GLN 22 HA GLN 22 8.871 -6.771 -6.280 56 HB2 GLN 22 HB2 GLN 22 6.955 -4.952 -7.756 57 HB3 GLN 22 HB3 GLN 22 6.670 -6.660 -7.448 58 HG2 GLN 22 HG2 GLN 22 6.700 -6.245 -5.046 59 HG3 GLN 22 HG3 GLN 22 7.022 -4.539 -5.339 60 HE21 GLN 22 HE21 GLN 22 4.659 -7.072 -5.501 61 HE22 GLN 22 HE22 GLN 22 3.293 -6.029 -5.708 62 H GLN 23 H GLN 23 9.215 -4.591 -9.003 63 HA GLN 23 HA GLN 23 9.512 -6.659 -10.930 64 HB2 GLN 23 HB2 GLN 23 10.007 -3.709 -10.959 65 HB3 GLN 23 HB3 GLN 23 10.558 -4.711 -12.294 66 HG2 GLN 23 HG2 GLN 23 7.712 -4.567 -11.321 67 HG3 GLN 23 HG3 GLN 23 8.359 -3.665 -12.696 68 HE21 GLN 23 HE21 GLN 23 7.408 -6.837 -11.529 69 HE22 GLN 23 HE22 GLN 23 7.496 -7.626 -13.035 70 H LEU 24 H LEU 24 11.698 -4.918 -8.886 71 HA LEU 24 HA LEU 24 14.208 -5.697 -9.908 72 HB2 LEU 24 HB2 LEU 24 13.488 -4.092 -7.935 73 HB3 LEU 24 HB3 LEU 24 13.494 -5.535 -6.978 74 HG LEU 24 HG LEU 24 15.923 -4.336 -8.328 75 HD11 LEU 24 HD11 LEU 24 16.589 -3.761 -6.046 76 HD12 LEU 24 HD12 LEU 24 15.042 -4.363 -5.452 77 HD13 LEU 24 HD13 LEU 24 15.092 -2.963 -6.525 78 HD21 LEU 24 HD21 LEU 24 16.150 -6.770 -8.055 79 HD22 LEU 24 HD22 LEU 24 15.721 -6.617 -6.354 80 HD23 LEU 24 HD23 LEU 24 17.215 -5.902 -6.956 81 H ARG 25 H ARG 25 12.256 -7.133 -7.289 82 HA ARG 25 HA ARG 25 13.668 -9.370 -6.689 83 HB2 ARG 25 HB2 ARG 25 11.600 -8.206 -5.668 84 HB3 ARG 25 HB3 ARG 25 10.677 -9.247 -6.738 85 HG2 ARG 25 HG2 ARG 25 11.737 -11.184 -5.721 86 HG3 ARG 25 HG3 ARG 25 12.605 -10.069 -4.647 87 HD2 ARG 25 HD2 ARG 25 10.398 -9.215 -3.856 88 HD3 ARG 25 HD3 ARG 25 9.611 -10.497 -4.779 89 HE ARG 25 HE ARG 25 10.969 -10.703 -2.254 90 HH11 ARG 25 HH11 ARG 25 9.918 -12.590 -5.055 91 HH12 ARG 25 HH12 ARG 25 9.972 -14.089 -4.201 92 HH21 ARG 25 HH21 ARG 25 10.979 -12.587 -1.186 93 HH22 ARG 25 HH22 ARG 25 10.573 -14.120 -1.869 94 H GLU 26 H GLU 26 11.094 -8.947 -9.120 95 HA GLU 26 HA GLU 26 10.873 -11.602 -9.949 96 HB2 GLU 26 HB2 GLU 26 9.201 -9.806 -10.139 97 HB3 GLU 26 HB3 GLU 26 10.229 -9.001 -11.307 98 HG2 GLU 26 HG2 GLU 26 10.043 -10.970 -12.741 99 HG3 GLU 26 HG3 GLU 26 8.875 -11.637 -11.583 100 H ARG 27 H ARG 27 12.825 -8.818 -11.048 101 HA ARG 27 HA ARG 27 13.626 -9.823 -13.536 102 HB2 ARG 27 HB2 ARG 27 13.644 -7.494 -12.285 103 HB3 ARG 27 HB3 ARG 27 15.318 -7.993 -12.081 104 HG2 ARG 27 HG2 ARG 27 15.313 -6.834 -14.029 105 HG3 ARG 27 HG3 ARG 27 15.262 -8.529 -14.536 106 HD2 ARG 27 HD2 ARG 27 12.827 -6.729 -14.356 107 HD3 ARG 27 HD3 ARG 27 13.723 -6.989 -15.840 108 HE ARG 27 HE ARG 27 13.050 -9.332 -15.709 109 HH11 ARG 27 HH11 ARG 27 11.147 -7.083 -13.648 110 HH12 ARG 27 HH12 ARG 27 9.735 -8.040 -13.825 111 HH21 ARG 27 HH21 ARG 27 10.892 -10.562 -15.845 112 HH22 ARG 27 HH22 ARG 27 9.620 -9.844 -14.939 113 H LEU 28 H LEU 28 15.176 -9.990 -10.314 114 HA LEU 28 HA LEU 28 17.534 -11.163 -11.323 115 HB2 LEU 28 HB2 LEU 28 16.276 -11.404 -8.589 116 HB3 LEU 28 HB3 LEU 28 17.728 -12.281 -9.001 117 HG LEU 28 HG LEU 28 18.808 -10.011 -9.467 118 HD11 LEU 28 HD11 LEU 28 16.814 -8.733 -9.738 119 HD12 LEU 28 HD12 LEU 28 17.860 -8.085 -8.488 120 HD13 LEU 28 HD13 LEU 28 16.406 -8.990 -8.043 121 HD21 LEU 28 HD21 LEU 28 19.219 -9.561 -7.119 122 HD22 LEU 28 HD22 LEU 28 19.282 -11.291 -7.460 123 HD23 LEU 28 HD23 LEU 28 17.862 -10.596 -6.674 124 H ILE 29 H ILE 29 14.504 -12.528 -10.350 125 HA ILE 29 HA ILE 29 15.085 -15.233 -10.492 126 HB ILE 29 HB ILE 29 12.661 -13.568 -10.546 127 HG12 ILE 29 HG12 ILE 29 11.959 -15.014 -8.788 128 HG13 ILE 29 HG11 ILE 29 13.217 -16.178 -9.174 129 HG21 ILE 29 HG21 ILE 29 12.420 -16.387 -11.566 130 HG22 ILE 29 HG22 ILE 29 12.097 -14.917 -12.480 131 HG23 ILE 29 HG23 ILE 29 11.082 -15.336 -11.097 132 HD11 ILE 29 HD11 ILE 29 13.777 -14.866 -7.221 133 HD12 ILE 29 HD12 ILE 29 13.643 -13.384 -8.190 134 HD13 ILE 29 HD13 ILE 29 14.901 -14.568 -8.551 135 H GLN 30 H GLN 30 14.575 -13.019 -13.045 136 HA GLN 30 HA GLN 30 14.003 -14.892 -15.124 137 HB2 GLN 30 HB2 GLN 30 15.361 -12.232 -15.431 138 HB3 GLN 30 HB3 GLN 30 14.366 -13.093 -16.599 139 HG2 GLN 30 HG2 GLN 30 13.325 -12.000 -14.004 140 HG3 GLN 30 HG3 GLN 30 13.283 -11.097 -15.515 141 HE21 GLN 30 HE21 GLN 30 11.904 -13.616 -13.652 142 HE22 GLN 30 HE22 GLN 30 10.572 -13.949 -14.703 143 H GLU 31 H GLU 31 16.884 -13.331 -13.844 144 HA GLU 31 HA GLU 31 18.630 -14.586 -15.788 145 HB2 GLU 31 HB2 GLU 31 19.408 -12.975 -13.356 146 HB3 GLU 31 HB3 GLU 31 20.418 -13.348 -14.747 147 HG2 GLU 31 HG2 GLU 31 18.763 -12.085 -16.148 148 HG3 GLU 31 HG3 GLU 31 18.018 -11.620 -14.609 149 H LEU 32 H LEU 32 17.661 -15.089 -12.475 150 HA LEU 32 HA LEU 32 19.756 -16.910 -11.929 151 HB2 LEU 32 HB2 LEU 32 17.225 -16.342 -10.385 152 HB3 LEU 32 HB3 LEU 32 18.586 -17.293 -9.818 153 HG LEU 32 HG LEU 32 18.518 -14.399 -10.469 154 HD11 LEU 32 HD11 LEU 32 19.056 -14.082 -8.081 155 HD12 LEU 32 HD12 LEU 32 18.907 -15.826 -7.845 156 HD13 LEU 32 HD13 LEU 32 17.505 -14.875 -8.348 157 HD21 LEU 32 HD21 LEU 32 20.905 -16.071 -9.682 158 HD22 LEU 32 HD22 LEU 32 20.864 -14.310 -9.616 159 HD23 LEU 32 HD23 LEU 32 20.648 -15.122 -11.156 160 H ASN 33 H ASN 33 16.689 -17.063 -13.371 161 HA ASN 33 HA ASN 33 15.503 -18.620 -14.430 162 HB2 ASN 33 HB2 ASN 33 17.896 -19.302 -15.173 163 HB3 ASN 33 HB3 ASN 33 17.795 -20.582 -13.986 164 HD21 ASN 33 HD21 ASN 33 15.036 -21.321 -14.582 165 HD22 ASN 33 HD22 ASN 33 15.047 -22.042 -16.164 166 H LEU 34 H LEU 34 15.562 -18.364 -11.482 167 HA LEU 34 HA LEU 34 14.325 -20.916 -10.837 168 HB2 LEU 34 HB2 LEU 34 14.921 -20.514 -8.429 169 HB3 LEU 34 HB3 LEU 34 16.246 -20.886 -9.503 170 HG LEU 34 HG LEU 34 16.793 -18.426 -9.522 171 HD11 LEU 34 HD11 LEU 34 14.910 -18.345 -7.183 172 HD12 LEU 34 HD12 LEU 34 14.614 -17.653 -8.771 173 HD13 LEU 34 HD13 LEU 34 15.933 -17.018 -7.767 174 HD21 LEU 34 HD21 LEU 34 18.028 -20.034 -8.243 175 HD22 LEU 34 HD22 LEU 34 16.871 -19.901 -6.917 176 HD23 LEU 34 HD23 LEU 34 17.892 -18.518 -7.340 177 H THR 35 H THR 35 12.764 -20.567 -8.768 178 HA THR 35 HA THR 35 10.890 -18.686 -9.863 179 HB THR 35 HB THR 35 9.334 -19.793 -8.180 180 HG1 THR 35 HG1 THR 35 10.261 -21.927 -7.508 181 HG21 THR 35 HG21 THR 35 10.709 -21.584 -10.195 182 HG22 THR 35 HG22 THR 35 9.381 -20.476 -10.540 183 HG23 THR 35 HG23 THR 35 9.118 -21.868 -9.490 184 HA PRO 36 HA PRO 36 11.531 -15.547 -6.782 185 HB2 PRO 36 HB2 PRO 36 8.612 -15.219 -6.468 186 HB3 PRO 36 HB3 PRO 36 9.818 -14.066 -7.081 187 HG2 PRO 36 HG2 PRO 36 8.068 -15.203 -8.719 188 HG3 PRO 36 HG3 PRO 36 9.734 -14.858 -9.219 189 HD2 PRO 36 HD2 PRO 36 8.518 -17.466 -8.425 190 HD3 PRO 36 HD3 PRO 36 9.676 -17.095 -9.721 191 H GLN 37 H GLN 37 10.063 -18.352 -6.022 192 HA GLN 37 HA GLN 37 9.537 -17.764 -3.226 193 HB2 GLN 37 HB2 GLN 37 7.896 -19.131 -4.422 194 HB3 GLN 37 HB3 GLN 37 9.140 -20.254 -4.912 195 HG2 GLN 37 HG2 GLN 37 8.566 -19.885 -1.995 196 HG3 GLN 37 HG3 GLN 37 7.459 -20.832 -2.978 197 HE21 GLN 37 HE21 GLN 37 10.628 -20.707 -1.540 198 HE22 GLN 37 HE22 GLN 37 11.066 -22.330 -1.890 199 H GLN 38 H GLN 38 11.895 -19.280 -5.331 200 HA GLN 38 HA GLN 38 13.246 -20.572 -3.100 201 HB2 GLN 38 HB2 GLN 38 13.696 -20.701 -6.085 202 HB3 GLN 38 HB3 GLN 38 14.643 -21.580 -4.898 203 HG2 GLN 38 HG2 GLN 38 11.674 -21.916 -5.303 204 HG3 GLN 38 HG3 GLN 38 12.901 -22.936 -6.040 205 HE21 GLN 38 HE21 GLN 38 12.096 -24.772 -5.033 206 HE22 GLN 38 HE22 GLN 38 12.297 -25.050 -3.337 207 H LEU 39 H LEU 39 13.241 -17.625 -3.502 208 HA LEU 39 HA LEU 39 16.130 -17.309 -3.855 209 HB2 LEU 39 HB2 LEU 39 15.873 -15.208 -4.807 210 HB3 LEU 39 HB3 LEU 39 14.391 -15.945 -5.354 211 HG LEU 39 HG LEU 39 13.315 -14.797 -3.288 212 HD11 LEU 39 HD11 LEU 39 14.410 -12.703 -2.581 213 HD12 LEU 39 HD12 LEU 39 15.803 -13.083 -3.593 214 HD13 LEU 39 HD13 LEU 39 15.447 -14.081 -2.202 215 HD21 LEU 39 HD21 LEU 39 13.007 -12.704 -4.539 216 HD22 LEU 39 HD22 LEU 39 12.798 -14.136 -5.540 217 HD23 LEU 39 HD23 LEU 39 14.291 -13.194 -5.642 218 H HIS 40 H HIS 40 17.198 -16.159 -2.195 219 HA HIS 40 HA HIS 40 15.637 -15.944 0.258 220 HB2 HIS 40 HB2 HIS 40 18.538 -16.497 -0.243 221 HB3 HIS 40 HB3 HIS 40 17.924 -15.898 1.278 222 HD1 HIS 40 HD1 HIS 40 16.687 -17.504 2.836 223 HD2 HIS 40 HD2 HIS 40 17.725 -19.193 -0.827 224 HE1 HIS 40 HE1 HIS 40 16.330 -19.992 3.075 225 H GLU 41 H GLU 41 14.965 -13.872 0.403 226 HA GLU 41 HA GLU 41 16.852 -11.795 -0.269 227 HB2 GLU 41 HB2 GLU 41 15.104 -10.163 0.108 228 HB3 GLU 41 HB3 GLU 41 14.627 -11.373 -1.063 229 HG2 GLU 41 HG2 GLU 41 13.315 -12.465 0.757 230 HG3 GLU 41 HG3 GLU 41 13.704 -11.075 1.778 231 H GLU 42 H GLU 42 16.213 -13.550 2.420 232 HA GLU 42 HA GLU 42 17.195 -11.475 4.192 233 HB2 GLU 42 HB2 GLU 42 16.889 -13.581 5.880 234 HB3 GLU 42 HB3 GLU 42 15.609 -12.438 5.543 235 HG2 GLU 42 HG2 GLU 42 14.877 -14.816 5.549 236 HG3 GLU 42 HG3 GLU 42 14.540 -13.980 4.042 237 H SER 43 H SER 43 18.041 -14.351 2.577 238 HA SER 43 HA SER 43 20.668 -14.410 3.779 239 HB2 SER 43 HB2 SER 43 19.393 -16.523 2.961 240 HB3 SER 43 HB3 SER 43 19.766 -15.903 1.355 241 HG SER 43 HG SER 43 21.406 -17.315 1.884 242 H ASN 44 H ASN 44 22.445 -14.561 2.028 243 HA ASN 44 HA ASN 44 22.228 -11.981 0.811 244 HB2 ASN 44 HB2 ASN 44 24.665 -13.749 0.976 245 HB3 ASN 44 HB3 ASN 44 24.652 -12.134 0.299 246 HD21 ASN 44 HD21 ASN 44 22.766 -11.131 2.381 247 HD22 ASN 44 HD22 ASN 44 23.741 -11.000 3.800 248 H LEU 45 H LEU 45 21.897 -11.539 -1.141 249 HA LEU 45 HA LEU 45 21.303 -13.516 -3.068 250 HB2 LEU 45 HB2 LEU 45 21.710 -10.553 -3.409 251 HB3 LEU 45 HB3 LEU 45 21.061 -11.616 -4.640 252 HG LEU 45 HG LEU 45 19.769 -11.073 -1.963 253 HD11 LEU 45 HD11 LEU 45 19.091 -10.097 -4.726 254 HD12 LEU 45 HD12 LEU 45 19.693 -9.114 -3.387 255 HD13 LEU 45 HD13 LEU 45 18.101 -9.870 -3.292 256 HD21 LEU 45 HD21 LEU 45 18.793 -12.611 -4.371 257 HD22 LEU 45 HD22 LEU 45 17.838 -12.225 -2.943 258 HD23 LEU 45 HD23 LEU 45 19.227 -13.297 -2.803 259 H ILE 46 H ILE 46 24.286 -12.175 -2.188 260 HA ILE 46 HA ILE 46 25.616 -12.426 -4.746 261 HB ILE 46 HB ILE 46 26.960 -12.329 -2.009 262 HG12 ILE 46 HG12 ILE 46 25.362 -10.444 -2.247 263 HG13 ILE 46 HG11 ILE 46 27.033 -9.919 -2.125 264 HG21 ILE 46 HG21 ILE 46 28.516 -12.823 -3.860 265 HG22 ILE 46 HG22 ILE 46 28.790 -11.168 -3.261 266 HG23 ILE 46 HG23 ILE 46 27.905 -11.417 -4.744 267 HD11 ILE 46 HD11 ILE 46 25.771 -8.625 -3.762 268 HD12 ILE 46 HD12 ILE 46 25.438 -10.102 -4.674 269 HD13 ILE 46 HD13 ILE 46 27.090 -9.517 -4.515 270 H GLN 47 H GLN 47 24.457 -14.587 -2.488 271 HA GLN 47 HA GLN 47 26.425 -16.662 -2.791 272 HB2 GLN 47 HB2 GLN 47 23.647 -16.656 -1.652 273 HB3 GLN 47 HB3 GLN 47 24.689 -18.071 -1.634 274 HG2 GLN 47 HG2 GLN 47 26.258 -16.944 -0.184 275 HG3 GLN 47 HG3 GLN 47 25.344 -15.442 -0.309 276 HE21 GLN 47 HE21 GLN 47 25.066 -15.374 1.964 277 HE22 GLN 47 HE22 GLN 47 23.932 -16.438 2.733 278 H ALA 48 H ALA 48 23.970 -15.388 -4.634 279 HA ALA 48 HA ALA 48 23.488 -17.854 -6.141 280 HB1 ALA 48 HB1 ALA 48 21.927 -15.255 -6.082 281 HB2 ALA 48 HB2 ALA 48 21.438 -16.768 -5.319 282 HB3 ALA 48 HB3 ALA 48 21.533 -16.657 -7.077 283 H GLY 49 H GLY 49 23.000 -16.968 -8.637 284 HA2 GLY 49 HA2 GLY 49 25.583 -15.986 -9.435 285 HA3 GLY 49 HA3 GLY 49 24.235 -16.361 -10.507 286 H LEU 50 H LEU 50 25.633 -13.979 -8.430 287 HA LEU 50 HA LEU 50 24.286 -11.885 -9.899 288 HB2 LEU 50 HB2 LEU 50 23.041 -12.153 -7.863 289 HB3 LEU 50 HB3 LEU 50 24.507 -12.255 -6.916 290 HG LEU 50 HG LEU 50 24.971 -9.924 -7.387 291 HD11 LEU 50 HD11 LEU 50 23.820 -9.675 -9.510 292 HD12 LEU 50 HD12 LEU 50 23.212 -8.494 -8.350 293 HD13 LEU 50 HD13 LEU 50 22.259 -9.933 -8.725 294 HD21 LEU 50 HD21 LEU 50 22.210 -10.310 -6.267 295 HD22 LEU 50 HD22 LEU 50 23.344 -8.994 -5.901 296 HD23 LEU 50 HD23 LEU 50 23.702 -10.642 -5.402 297 H ASP 51 H ASP 51 25.994 -11.267 -10.979 298 HA ASP 51 HA ASP 51 28.578 -10.909 -9.744 299 HB2 ASP 51 HB2 ASP 51 29.236 -10.179 -12.065 300 HB3 ASP 51 HB3 ASP 51 28.614 -11.822 -11.972 301 H 4HJ 52 H 4HJ 52 29.348 -8.572 -11.290 302 HA 4HJ 52 HA 4HJ 52 28.061 -6.813 -9.456 303 HAA 4HJ 52 HAA 4HJ 52 29.528 -9.261 -7.737 304 HB3 4HJ 52 HB3 4HJ 52 30.013 -5.284 -9.934 305 HB2 4HJ 52 HB2 4HJ 52 30.461 -6.852 -9.257 306 HZ1 4HJ 52 HZ1 4HJ 52 31.311 -10.480 -6.718 307 HZ2 4HJ 52 HZ2 4HJ 52 29.376 -6.836 -7.531 308 HZ 4HJ 52 HZ 4HJ 52 33.212 -10.332 -5.386 309 HJ2 4HJ 52 HJ2 4HJ 52 32.844 -3.769 -11.681 310 HJ3 4HJ 52 HJ3 4HJ 52 31.279 -3.523 -10.946 311 HL12 4HJ 52 HL12 4HJ 52 34.392 -4.205 -9.113 312 HL11 4HJ 52 HL11 4HJ 52 33.043 -3.911 -8.097 313 HL13 4HJ 52 HL13 4HJ 52 34.310 -2.721 -8.069 314 HL22 4HJ 52 HL22 4HJ 52 31.186 -1.521 -9.863 315 HL21 4HJ 52 HL21 4HJ 52 32.307 -1.099 -8.516 316 HL23 4HJ 52 HL23 4HJ 52 31.362 -2.553 -8.487 317 HM 4HJ 52 HM 4HJ 52 35.311 -0.516 -10.407 318 HN 4HJ 52 HN 4HJ 52 34.579 -4.085 -12.522 319 HL3 4HJ 52 HL3 4HJ 52 33.292 -1.143 -11.347 320 HO2 4HJ 52 HO2 4HJ 52 37.102 -4.257 -11.364 321 HO3 4HJ 52 HO3 4HJ 52 35.937 -4.382 -10.033 322 HP2 4HJ 52 HP2 4HJ 52 36.169 -6.159 -12.434 323 HP3 4HJ 52 HP3 4HJ 52 34.805 -6.159 -11.293 324 HS2 4HJ 52 HS2 4HJ 52 35.895 -5.600 -8.302 325 HS3 4HJ 52 HS3 4HJ 52 36.772 -6.981 -7.583 326 HT3 4HJ 52 HT3 4HJ 52 33.783 -6.524 -7.818 327 HT2 4HJ 52 HT2 4HJ 52 34.497 -7.995 -7.193 328 HY2 4HJ 52 HY2 4HJ 52 31.067 -5.558 -6.266 329 HR 4HJ 52 HR 4HJ 52 35.320 -8.129 -9.543 330 H ILE 53 H ILE 53 28.061 -7.669 -12.704 331 HA ILE 53 HA ILE 53 27.560 -5.034 -13.635 332 HB ILE 53 HB ILE 53 28.552 -7.202 -14.882 333 HG12 ILE 53 HG12 ILE 53 28.785 -5.011 -15.708 334 HG13 ILE 53 HG11 ILE 53 28.165 -6.051 -16.993 335 HG21 ILE 53 HG21 ILE 53 26.473 -8.481 -14.971 336 HG22 ILE 53 HG22 ILE 53 26.966 -8.027 -16.603 337 HG23 ILE 53 HG23 ILE 53 25.665 -7.149 -15.798 338 HD11 ILE 53 HD11 ILE 53 27.014 -3.886 -17.053 339 HD12 ILE 53 HD12 ILE 53 26.627 -4.083 -15.336 340 HD13 ILE 53 HD13 ILE 53 25.892 -5.164 -16.505 341 H ARG 54 H ARG 54 25.829 -7.870 -12.732 342 HA ARG 54 HA ARG 54 23.227 -6.872 -13.251 343 HB2 ARG 54 HB2 ARG 54 24.325 -8.933 -11.407 344 HB3 ARG 54 HB3 ARG 54 22.697 -8.344 -11.109 345 HG2 ARG 54 HG2 ARG 54 22.616 -10.367 -12.387 346 HG3 ARG 54 HG3 ARG 54 22.071 -9.023 -13.380 347 HD2 ARG 54 HD2 ARG 54 24.316 -8.945 -14.422 348 HD3 ARG 54 HD3 ARG 54 24.760 -10.371 -13.467 349 HE ARG 54 HE ARG 54 22.349 -10.589 -15.056 350 HH11 ARG 54 HH11 ARG 54 25.781 -11.491 -14.802 351 HH12 ARG 54 HH12 ARG 54 25.709 -12.609 -16.055 352 HH21 ARG 54 HH21 ARG 54 22.213 -12.049 -16.654 353 HH22 ARG 54 HH22 ARG 54 23.548 -12.996 -17.190 354 H LEU 55 H LEU 55 25.351 -6.672 -10.471 355 HA LEU 55 HA LEU 55 23.604 -5.182 -8.884 356 HB2 LEU 55 HB2 LEU 55 26.575 -5.539 -8.785 357 HB3 LEU 55 HB3 LEU 55 25.711 -4.567 -7.607 358 HG LEU 55 HG LEU 55 24.997 -7.456 -8.120 359 HD11 LEU 55 HD11 LEU 55 26.298 -8.117 -6.291 360 HD12 LEU 55 HD12 LEU 55 26.545 -6.480 -5.781 361 HD13 LEU 55 HD13 LEU 55 27.394 -7.086 -7.228 362 HD21 LEU 55 HD21 LEU 55 24.369 -5.472 -5.962 363 HD22 LEU 55 HD22 LEU 55 24.032 -7.181 -5.848 364 HD23 LEU 55 HD23 LEU 55 23.234 -6.216 -7.094 365 H MET 56 H MET 56 26.232 -3.993 -11.010 366 HA MET 56 HA MET 56 25.676 -1.286 -10.382 367 HB2 MET 56 HB2 MET 56 27.215 -2.633 -12.556 368 HB3 MET 56 HB3 MET 56 26.841 -0.926 -12.702 369 HG2 MET 56 HG2 MET 56 29.104 -1.380 -11.798 370 HG3 MET 56 HG3 MET 56 28.108 -0.400 -10.743 371 HE1 MET 56 HE1 MET 56 27.744 -0.937 -8.284 372 HE2 MET 56 HE2 MET 56 27.697 -2.546 -7.572 373 HE3 MET 56 HE3 MET 56 26.493 -2.084 -8.768 374 H ARG 57 H ARG 57 24.256 -3.460 -12.616 375 HA ARG 57 HA ARG 57 22.664 -1.656 -14.202 376 HB2 ARG 57 HB2 ARG 57 23.063 -4.156 -14.432 377 HB3 ARG 57 HB3 ARG 57 21.776 -4.272 -13.227 378 HG2 ARG 57 HG2 ARG 57 20.553 -2.588 -14.754 379 HG3 ARG 57 HG3 ARG 57 21.677 -3.174 -15.986 380 HD2 ARG 57 HD2 ARG 57 20.078 -4.743 -14.206 381 HD3 ARG 57 HD3 ARG 57 19.541 -4.302 -15.856 382 HE ARG 57 HE ARG 57 21.823 -5.518 -16.403 383 HH11 ARG 57 HH11 ARG 57 19.481 -6.669 -13.974 384 HH12 ARG 57 HH12 ARG 57 19.788 -8.320 -14.297 385 HH21 ARG 57 HH21 ARG 57 22.173 -7.880 -16.816 386 HH22 ARG 57 HH22 ARG 57 21.237 -8.989 -15.916 387 H TRP 58 H TRP 58 22.117 -3.293 -11.172 388 HA TRP 58 HA TRP 58 19.466 -2.358 -10.684 389 HB2 TRP 58 HB2 TRP 58 21.547 -3.181 -8.664 390 HB3 TRP 58 HB3 TRP 58 19.819 -2.950 -8.371 391 HD1 TRP 58 HD1 TRP 58 21.788 -5.742 -8.425 392 HE1 TRP 58 HE1 TRP 58 20.784 -7.794 -9.602 393 HE3 TRP 58 HE3 TRP 58 18.040 -3.444 -11.127 394 HZ2 TRP 58 HZ2 TRP 58 18.728 -8.358 -11.416 395 HZ3 TRP 58 HZ3 TRP 58 16.635 -4.825 -12.531 396 HH2 TRP 58 HH2 TRP 58 16.950 -7.216 -12.677 397 H LEU 59 H LEU 59 22.425 -0.847 -9.610 398 HA LEU 59 HA LEU 59 21.325 1.297 -8.217 399 HB2 LEU 59 HB2 LEU 59 23.756 1.156 -9.951 400 HB3 LEU 59 HB3 LEU 59 23.283 2.663 -9.206 401 HG LEU 59 HG LEU 59 25.026 1.586 -7.966 402 HD11 LEU 59 HD11 LEU 59 24.024 1.628 -5.773 403 HD12 LEU 59 HD12 LEU 59 22.423 1.427 -6.496 404 HD13 LEU 59 HD13 LEU 59 23.334 2.905 -6.789 405 HD21 LEU 59 HD21 LEU 59 24.577 -0.673 -8.621 406 HD22 LEU 59 HD22 LEU 59 23.086 -0.670 -7.703 407 HD23 LEU 59 HD23 LEU 59 24.652 -0.561 -6.851 408 H HIS 60 H HIS 60 22.161 1.187 -11.574 409 HA HIS 60 HA HIS 60 21.275 3.769 -12.237 410 HB2 HIS 60 HB2 HIS 60 22.972 2.435 -13.380 411 HB3 HIS 60 HB3 HIS 60 21.746 1.322 -13.926 412 HD1 HIS 60 HD1 HIS 60 23.391 4.505 -14.878 413 HD2 HIS 60 HD2 HIS 60 19.919 2.459 -15.891 414 HE1 HIS 60 HE1 HIS 60 22.570 5.527 -17.029 415 H TRP 61 H TRP 61 19.796 0.600 -12.274 416 HA TRP 61 HA TRP 61 17.563 1.227 -13.816 417 HB2 TRP 61 HB2 TRP 61 18.378 -1.061 -13.437 418 HB3 TRP 61 HB3 TRP 61 17.890 -0.939 -11.757 419 HD1 TRP 61 HD1 TRP 61 16.159 -0.585 -15.224 420 HE1 TRP 61 HE1 TRP 61 13.773 -1.541 -15.018 421 HE3 TRP 61 HE3 TRP 61 16.238 -1.842 -10.308 422 HZ2 TRP 61 HZ2 TRP 61 12.144 -2.682 -13.007 423 HZ3 TRP 61 HZ3 TRP 61 14.247 -2.858 -9.317 424 HH2 TRP 61 HH2 TRP 61 12.246 -3.274 -10.642 425 H PHE 62 H PHE 62 17.849 1.059 -10.247 426 HA PHE 62 HA PHE 62 15.249 2.270 -10.191 427 HB2 PHE 62 HB2 PHE 62 15.853 2.357 -7.516 428 HB3 PHE 62 HB3 PHE 62 14.992 1.061 -8.324 429 HD1 PHE 62 HD1 PHE 62 18.276 2.164 -7.082 430 HD2 PHE 62 HD2 PHE 62 15.865 -1.025 -8.476 431 HE1 PHE 62 HE1 PHE 62 20.013 0.532 -6.387 432 HE2 PHE 62 HE2 PHE 62 17.548 -2.639 -7.804 433 HZ PHE 62 HZ PHE 62 19.619 -1.902 -6.818 434 H ARG 63 H ARG 63 18.384 3.469 -10.081 435 HA ARG 63 HA ARG 63 18.157 5.883 -8.767 436 HB2 ARG 63 HB2 ARG 63 20.219 5.024 -9.901 437 HB3 ARG 63 HB3 ARG 63 19.518 5.471 -11.443 438 HG2 ARG 63 HG2 ARG 63 21.107 7.148 -10.820 439 HG3 ARG 63 HG3 ARG 63 19.494 7.844 -10.673 440 HD2 ARG 63 HD2 ARG 63 19.547 7.418 -8.253 441 HD3 ARG 63 HD3 ARG 63 21.163 6.752 -8.401 442 HE ARG 63 HE ARG 63 21.074 9.360 -9.505 443 HH11 ARG 63 HH11 ARG 63 21.211 7.755 -6.355 444 HH12 ARG 63 HH12 ARG 63 21.868 9.128 -5.534 445 HH21 ARG 63 HH21 ARG 63 22.024 11.258 -8.286 446 HH22 ARG 63 HH22 ARG 63 22.295 11.057 -6.622 447 H LYS 64 H LYS 64 16.800 4.973 -11.873 448 HA LYS 64 HA LYS 64 16.055 7.560 -12.710 449 HB2 LYS 64 HB2 LYS 64 14.644 6.476 -14.414 450 HB3 LYS 64 HB3 LYS 64 16.265 5.823 -14.367 451 HG2 LYS 64 HG2 LYS 64 14.864 3.975 -14.697 452 HG3 LYS 64 HG3 LYS 64 15.289 3.934 -12.983 453 HD2 LYS 64 HD2 LYS 64 13.220 5.046 -12.455 454 HD3 LYS 64 HD3 LYS 64 12.754 5.048 -14.144 455 HE2 LYS 64 HE2 LYS 64 11.582 3.183 -13.112 456 HE3 LYS 64 HE3 LYS 64 12.858 2.509 -14.116 457 HZ1 LYS 64 HZ1 LYS 64 12.658 1.432 -11.861 458 HZ2 LYS 64 HZ2 LYS 64 13.019 2.871 -11.164 459 HZ3 LYS 64 HZ3 LYS 64 14.185 2.105 -12.125 460 H ASN 65 H ASN 65 14.699 5.784 -10.201 461 HA ASN 65 HA ASN 65 12.209 7.366 -10.376 462 HB2 ASN 65 HB2 ASN 65 12.878 5.007 -8.604 463 HB3 ASN 65 HB3 ASN 65 11.406 5.947 -8.468 464 HD21 ASN 65 HD21 ASN 65 11.754 3.138 -8.962 465 HD22 ASN 65 HD22 ASN 65 10.950 2.802 -10.434 466 H GLY 66 H GLY 66 15.150 7.852 -9.321 467 HA2 GLY 66 HA2 GLY 66 15.814 9.597 -7.916 468 HA3 GLY 66 HA3 GLY 66 14.231 9.556 -7.155 469 H TYR 67 H TYR 67 15.946 6.572 -7.527 470 HA TYR 67 HA TYR 67 16.248 6.397 -4.650 471 HB2 TYR 67 HB2 TYR 67 16.655 4.390 -6.855 472 HB3 TYR 67 HB3 TYR 67 16.994 4.055 -5.154 473 HD1 TYR 67 HD2 TYR 67 15.070 4.610 -3.510 474 HD2 TYR 67 HD1 TYR 67 14.521 3.932 -7.635 475 HE1 TYR 67 HE2 TYR 67 12.746 4.096 -3.083 476 HE2 TYR 67 HE1 TYR 67 12.123 3.395 -7.214 477 HH TYR 67 HH TYR 67 10.738 2.658 -5.374 478 H ARG 68 H ARG 68 18.043 6.312 -3.533 479 HA ARG 68 HA ARG 68 20.450 7.225 -4.951 480 HB2 ARG 68 HB2 ARG 68 19.200 8.178 -2.425 481 HB3 ARG 68 HB3 ARG 68 20.765 8.696 -3.039 482 HG2 ARG 68 HG2 ARG 68 19.840 10.150 -4.491 483 HG3 ARG 68 HG3 ARG 68 18.551 9.025 -4.935 484 HD2 ARG 68 HD2 ARG 68 18.630 10.511 -2.321 485 HD3 ARG 68 HD3 ARG 68 17.788 11.105 -3.755 486 HE ARG 68 HE ARG 68 16.327 9.303 -3.662 487 HH11 ARG 68 HH11 ARG 68 18.526 9.249 -0.892 488 HH12 ARG 68 HH12 ARG 68 17.506 8.316 0.114 489 HH21 ARG 68 HH21 ARG 68 14.908 8.040 -2.322 490 HH22 ARG 68 HH22 ARG 68 15.306 7.610 -0.745 491 H LEU 69 H LEU 69 22.107 5.868 -4.486 492 HA LEU 69 HA LEU 69 22.851 4.991 -1.960 493 HB2 LEU 69 HB2 LEU 69 22.431 2.608 -2.151 494 HB3 LEU 69 HB3 LEU 69 20.909 3.459 -2.055 495 HG LEU 69 HG LEU 69 22.099 2.088 -4.480 496 HD11 LEU 69 HD11 LEU 69 19.585 1.618 -2.929 497 HD12 LEU 69 HD12 LEU 69 21.071 0.685 -2.748 498 HD13 LEU 69 HD13 LEU 69 20.168 0.636 -4.274 499 HD21 LEU 69 HD21 LEU 69 19.472 3.587 -4.310 500 HD22 LEU 69 HD22 LEU 69 20.041 2.656 -5.701 501 HD23 LEU 69 HD23 LEU 69 20.887 4.125 -5.203 502 H THR 70 H THR 70 24.717 3.984 -1.897 503 HA THR 70 HA THR 70 26.026 4.140 -4.442 504 HB THR 70 HB THR 70 28.172 3.977 -2.957 505 HG1 THR 70 HG1 THR 70 26.779 3.586 -1.000 506 HG21 THR 70 HG21 THR 70 27.559 5.960 -4.233 507 HG22 THR 70 HG22 THR 70 28.199 6.414 -2.654 508 HG23 THR 70 HG23 THR 70 26.461 6.462 -2.948 509 H LEU 71 H LEU 71 28.110 2.475 -4.084 510 HA LEU 71 HA LEU 71 26.611 0.243 -4.871 511 HB2 LEU 71 HB2 LEU 71 29.607 0.412 -4.886 512 HB3 LEU 71 HB3 LEU 71 28.578 -0.727 -5.734 513 HG LEU 71 HG LEU 71 29.280 0.779 -7.402 514 HD11 LEU 71 HD11 LEU 71 26.651 1.909 -6.526 515 HD12 LEU 71 HD12 LEU 71 26.811 0.364 -7.306 516 HD13 LEU 71 HD13 LEU 71 27.288 1.840 -8.174 517 HD21 LEU 71 HD21 LEU 71 30.176 2.492 -5.894 518 HD22 LEU 71 HD22 LEU 71 28.488 2.984 -5.592 519 HD23 LEU 71 HD23 LEU 71 29.188 3.193 -7.204 520 H ARG 72 H ARG 72 28.382 1.067 -2.076 521 HA ARG 72 HA ARG 72 29.261 -1.653 -1.522 522 HB2 ARG 72 HB2 ARG 72 30.885 0.149 -1.289 523 HB3 ARG 72 HB3 ARG 72 29.874 0.923 -0.085 524 HG2 ARG 72 HG2 ARG 72 31.737 -0.212 0.944 525 HG3 ARG 72 HG3 ARG 72 30.191 -0.937 1.404 526 HD2 ARG 72 HD2 ARG 72 31.908 -2.672 0.967 527 HD3 ARG 72 HD3 ARG 72 30.564 -2.789 -0.158 528 HE ARG 72 HE ARG 72 32.705 -1.214 -1.185 529 HH11 ARG 72 HH11 ARG 72 31.749 -4.636 -0.702 530 HH12 ARG 72 HH12 ARG 72 32.609 -5.200 -2.059 531 HH21 ARG 72 HH21 ARG 72 33.961 -2.111 -3.071 532 HH22 ARG 72 HH22 ARG 72 33.870 -3.782 -3.368 533 H GLU 73 H GLU 73 26.744 0.482 -0.326 534 HA GLU 73 HA GLU 73 26.380 -1.020 2.028 535 HB2 GLU 73 HB2 GLU 73 24.055 0.005 1.974 536 HB3 GLU 73 HB3 GLU 73 25.414 1.124 2.040 537 HG2 GLU 73 HG2 GLU 73 24.665 0.255 -0.497 538 HG3 GLU 73 HG3 GLU 73 23.375 1.250 0.226 539 H LEU 74 H LEU 74 25.350 -1.367 -1.193 540 HA LEU 74 HA LEU 74 23.365 -3.369 -0.915 541 HB2 LEU 74 HB2 LEU 74 25.201 -2.640 -3.184 542 HB3 LEU 74 HB3 LEU 74 23.809 -3.694 -3.320 543 HG LEU 74 HG LEU 74 23.417 -0.944 -2.240 544 HD11 LEU 74 HD11 LEU 74 24.760 -0.731 -4.286 545 HD12 LEU 74 HD12 LEU 74 23.127 -0.087 -4.387 546 HD13 LEU 74 HD13 LEU 74 23.513 -1.644 -5.162 547 HD21 LEU 74 HD21 LEU 74 21.245 -1.253 -3.324 548 HD22 LEU 74 HD22 LEU 74 21.596 -2.541 -2.171 549 HD23 LEU 74 HD23 LEU 74 21.772 -2.834 -3.900 550 H TYR 75 H TYR 75 26.797 -3.331 -1.204 551 HA TYR 75 HA TYR 75 27.129 -6.176 -1.561 552 HB2 TYR 75 HB2 TYR 75 29.024 -3.973 -0.884 553 HB3 TYR 75 HB3 TYR 75 29.577 -5.602 -1.115 554 HD1 TYR 75 HD2 TYR 75 27.779 -6.184 -3.567 555 HD2 TYR 75 HD1 TYR 75 30.232 -2.949 -2.432 556 HE1 TYR 75 HE2 TYR 75 28.133 -5.605 -5.951 557 HE2 TYR 75 HE1 TYR 75 30.606 -2.357 -4.791 558 HH TYR 75 HH TYR 75 28.900 -3.841 -7.387 559 H ALA 76 H ALA 76 27.163 -3.856 1.035 560 HA ALA 76 HA ALA 76 28.445 -5.497 2.865 561 HB1 ALA 76 HB1 ALA 76 27.769 -3.861 4.580 562 HB2 ALA 76 HB2 ALA 76 26.674 -3.117 3.416 563 HB3 ALA 76 HB3 ALA 76 28.414 -3.079 3.136 564 H ALA 77 H ALA 77 25.043 -4.751 2.258 565 HA ALA 77 HA ALA 77 24.370 -7.212 3.667 566 HB1 ALA 77 HB1 ALA 77 22.335 -6.190 4.567 567 HB2 ALA 77 HB2 ALA 77 22.778 -4.646 3.839 568 HB3 ALA 77 HB3 ALA 77 23.767 -5.326 5.131 569 HA PRO 78 HA PRO 78 22.642 -7.190 -0.567 570 HB2 PRO 78 HB2 PRO 78 23.558 -9.891 -0.869 571 HB3 PRO 78 HB3 PRO 78 24.172 -8.445 -1.694 572 HG2 PRO 78 HG2 PRO 78 25.625 -9.892 0.114 573 HG3 PRO 78 HG3 PRO 78 25.905 -8.185 -0.275 574 HD2 PRO 78 HD2 PRO 78 24.515 -9.369 2.073 575 HD3 PRO 78 HD3 PRO 78 25.567 -7.939 1.971 576 H THR 79 H THR 79 20.674 -7.176 0.462 577 HA THR 79 HA THR 79 19.203 -9.670 0.508 578 HB THR 79 HB THR 79 18.222 -8.935 2.763 579 HG1 THR 79 HG1 THR 79 20.478 -7.241 2.627 580 HG21 THR 79 HG21 THR 79 21.132 -9.771 2.811 581 HG22 THR 79 HG22 THR 79 19.751 -10.860 2.678 582 HG23 THR 79 HG23 THR 79 20.001 -9.928 4.155 583 H LEU 80 H LEU 80 17.048 -9.114 -0.198 584 HA LEU 80 HA LEU 80 16.732 -6.482 -1.216 585 HB2 LEU 80 HB2 LEU 80 14.554 -8.516 -0.836 586 HB3 LEU 80 HB3 LEU 80 14.527 -7.014 -1.746 587 HG LEU 80 HG LEU 80 16.396 -9.221 -2.324 588 HD11 LEU 80 HD11 LEU 80 14.016 -9.891 -2.694 589 HD12 LEU 80 HD12 LEU 80 14.903 -9.753 -4.225 590 HD13 LEU 80 HD13 LEU 80 13.826 -8.453 -3.712 591 HD21 LEU 80 HD21 LEU 80 15.576 -6.780 -3.895 592 HD22 LEU 80 HD22 LEU 80 16.607 -8.061 -4.517 593 HD23 LEU 80 HD23 LEU 80 17.154 -7.080 -3.157 594 H ALA 81 H ALA 81 15.844 -8.072 1.585 595 HA ALA 81 HA ALA 81 14.000 -6.362 2.787 596 HB1 ALA 81 HB1 ALA 81 14.693 -8.498 3.787 597 HB2 ALA 81 HB2 ALA 81 14.814 -7.177 4.950 598 HB3 ALA 81 HB3 ALA 81 16.268 -7.803 4.171 599 H ALA 82 H ALA 82 17.579 -6.129 2.892 600 HA ALA 82 HA ALA 82 17.443 -3.578 4.213 601 HB1 ALA 82 HB1 ALA 82 19.877 -3.582 4.075 602 HB2 ALA 82 HB2 ALA 82 19.825 -4.994 3.019 603 HB3 ALA 82 HB3 ALA 82 19.288 -5.125 4.693 604 H TRP 83 H TRP 83 17.911 -4.780 0.951 605 HA TRP 83 HA TRP 83 18.799 -2.379 -0.174 606 HB2 TRP 83 HB2 TRP 83 17.354 -4.675 -1.488 607 HB3 TRP 83 HB3 TRP 83 17.955 -3.286 -2.366 608 HD1 TRP 83 HD1 TRP 83 20.474 -4.053 0.207 609 HE1 TRP 83 HE1 TRP 83 22.406 -5.417 -0.775 610 HE3 TRP 83 HE3 TRP 83 18.316 -5.406 -4.215 611 HZ2 TRP 83 HZ2 TRP 83 22.942 -6.900 -3.127 612 HZ3 TRP 83 HZ3 TRP 83 19.603 -6.801 -5.778 613 HH2 TRP 83 HH2 TRP 83 21.864 -7.528 -5.245 614 H ASN 84 H ASN 84 15.525 -3.548 0.403 615 HA ASN 84 HA ASN 84 14.184 -1.538 -1.011 616 HB2 ASN 84 HB2 ASN 84 13.063 -3.538 -0.029 617 HB3 ASN 84 HB3 ASN 84 13.283 -2.848 1.573 618 HD21 ASN 84 HD21 ASN 84 11.084 -2.788 1.973 619 HD22 ASN 84 HD22 ASN 84 10.031 -1.660 1.181 620 H GLN 85 H GLN 85 15.549 -1.520 2.245 621 HA GLN 85 HA GLN 85 14.613 1.050 3.039 622 HB2 GLN 85 HB2 GLN 85 15.691 -0.847 4.467 623 HB3 GLN 85 HB3 GLN 85 17.223 -0.238 3.887 624 HG2 GLN 85 HG2 GLN 85 15.225 1.286 5.557 625 HG3 GLN 85 HG3 GLN 85 16.693 0.529 6.151 626 HE21 GLN 85 HE21 GLN 85 18.702 1.527 5.642 627 HE22 GLN 85 HE22 GLN 85 18.776 3.184 5.152 628 H LEU 86 H LEU 86 17.565 -0.195 1.557 629 HA LEU 86 HA LEU 86 18.995 2.165 1.182 630 HB2 LEU 86 HB2 LEU 86 18.991 -0.374 -0.402 631 HB3 LEU 86 HB3 LEU 86 20.132 0.926 -0.656 632 HG LEU 86 HG LEU 86 19.832 -0.595 1.925 633 HD11 LEU 86 HD11 LEU 86 20.757 -1.969 0.103 634 HD12 LEU 86 HD12 LEU 86 21.982 -1.582 1.316 635 HD13 LEU 86 HD13 LEU 86 21.943 -0.705 -0.217 636 HD21 LEU 86 HD21 LEU 86 20.614 1.626 2.333 637 HD22 LEU 86 HD22 LEU 86 21.671 1.509 0.933 638 HD23 LEU 86 HD23 LEU 86 22.030 0.547 2.372 639 H MET 87 H MET 87 16.378 0.833 -0.581 640 HA MET 87 HA MET 87 16.688 2.595 -2.806 641 HB2 MET 87 HB2 MET 87 14.373 0.853 -1.903 642 HB3 MET 87 HB3 MET 87 14.368 1.792 -3.379 643 HG2 MET 87 HG2 MET 87 16.091 0.493 -4.344 644 HG3 MET 87 HG3 MET 87 16.489 -0.252 -2.801 645 HE1 MET 87 HE1 MET 87 13.904 -0.108 -5.773 646 HE2 MET 87 HE2 MET 87 12.859 0.278 -4.387 647 HE3 MET 87 HE3 MET 87 12.692 -1.265 -5.219 648 H LEU 88 H LEU 88 14.192 2.376 -0.256 649 HA LEU 88 HA LEU 88 13.242 4.806 -1.172 650 HB2 LEU 88 HB2 LEU 88 11.658 4.758 0.818 651 HB3 LEU 88 HB3 LEU 88 11.489 3.678 -0.542 652 HG LEU 88 HG LEU 88 12.780 2.012 0.905 653 HD11 LEU 88 HD11 LEU 88 12.546 2.314 3.294 654 HD12 LEU 88 HD12 LEU 88 11.806 3.902 3.008 655 HD13 LEU 88 HD13 LEU 88 13.482 3.619 2.538 656 HD21 LEU 88 HD21 LEU 88 10.004 2.892 1.550 657 HD22 LEU 88 HD22 LEU 88 10.672 1.249 1.793 658 HD23 LEU 88 HD23 LEU 88 10.535 1.960 0.161 659 H SER 89 H SER 89 15.018 4.307 1.816 660 HA SER 89 HA SER 89 15.184 7.278 1.900 661 HB2 SER 89 HB2 SER 89 15.743 5.309 4.073 662 HB3 SER 89 HB3 SER 89 15.811 7.062 4.166 663 HG SER 89 HG SER 89 13.705 5.521 4.602 664 H ARG 90 H ARG 90 17.071 4.244 1.828 665 HA ARG 90 HA ARG 90 19.097 3.765 2.450 666 HB2 ARG 90 HB2 ARG 90 19.025 4.479 0.108 667 HB3 ARG 90 HB3 ARG 90 19.543 6.071 0.607 668 HG2 ARG 90 HG2 ARG 90 21.091 3.720 1.330 669 HG3 ARG 90 HG3 ARG 90 21.118 4.319 -0.345 670 HD2 ARG 90 HD2 ARG 90 21.611 6.624 0.772 671 HD3 ARG 90 HD3 ARG 90 22.008 5.675 2.196 672 HE ARG 90 HE ARG 90 23.694 4.594 0.454 673 HH11 ARG 90 HH11 ARG 90 22.837 8.037 0.887 674 HH12 ARG 90 HH12 ARG 90 24.318 8.611 0.332 675 HH21 ARG 90 HH21 ARG 90 25.769 5.424 -0.277 676 HH22 ARG 90 HH22 ARG 90 26.002 7.119 -0.309 677 H SER 91 H SER 91 19.073 7.124 2.330 678 HA SER 91 HA SER 91 19.591 8.427 4.440 679 HB2 SER 91 HB2 SER 91 22.307 7.180 3.677 680 HB3 SER 91 HB3 SER 91 22.146 8.593 4.712 681 HG SER 91 HG SER 91 20.971 6.080 5.262 682 HA PRO 92 HA PRO 92 18.677 10.962 0.884 683 HB2 PRO 92 HB2 PRO 92 20.862 12.507 2.222 684 HB3 PRO 92 HB3 PRO 92 19.388 13.123 1.428 685 HG2 PRO 92 HG2 PRO 92 19.507 12.560 4.118 686 HG3 PRO 92 HG3 PRO 92 18.017 12.570 3.157 687 HD2 PRO 92 HD2 PRO 92 19.147 10.309 4.465 688 HD3 PRO 92 HD3 PRO 92 17.809 10.265 3.298 689 H GLU 93 H GLU 93 22.109 11.692 0.999 690 HA GLU 93 HA GLU 93 22.722 10.075 -1.280 691 HB2 GLU 93 HB2 GLU 93 22.693 13.117 -1.338 692 HB3 GLU 93 HB3 GLU 93 23.834 12.220 -2.317 693 HG2 GLU 93 HG2 GLU 93 20.910 11.630 -2.561 694 HG3 GLU 93 HG3 GLU 93 21.564 13.076 -3.318 Start of MODEL 2 1 H ASP 14 HT1 ASP 14 6.246 -5.837 -3.018 2 HA ASP 14 HA ASP 14 4.916 -5.176 -1.071 3 HB2 ASP 14 HB2 ASP 14 7.229 -5.891 -0.682 4 HB3 ASP 14 HB3 ASP 14 7.828 -4.290 -1.101 5 H ASN 15 H ASN 15 4.780 -3.330 0.591 6 HA ASN 15 HA ASN 15 3.820 -1.210 1.068 7 HB2 ASN 15 HB2 ASN 15 6.443 -1.176 1.170 8 HB3 ASN 15 HB3 ASN 15 6.316 -0.208 -0.290 9 HD21 ASN 15 HD21 ASN 15 5.857 -0.303 3.107 10 HD22 ASN 15 HD22 ASN 15 5.566 1.383 3.336 11 H ARG 16 H ARG 16 4.379 1.269 -0.277 12 HA ARG 16 HA ARG 16 2.383 1.039 -2.341 13 HB2 ARG 16 HB2 ARG 16 3.576 3.467 -1.030 14 HB3 ARG 16 HB3 ARG 16 2.289 3.501 -2.231 15 HG2 ARG 16 HG2 ARG 16 2.105 2.021 0.378 16 HG3 ARG 16 HG3 ARG 16 1.493 3.672 0.162 17 HD2 ARG 16 HD2 ARG 16 -0.352 2.098 -0.039 18 HD3 ARG 16 HD3 ARG 16 -0.022 2.765 -1.633 19 HE ARG 16 HE ARG 16 1.318 0.277 -1.065 20 HH11 ARG 16 HH11 ARG 16 -1.662 1.662 -2.355 21 HH12 ARG 16 HH12 ARG 16 -2.021 0.338 -3.362 22 HH21 ARG 16 HH21 ARG 16 0.887 -1.506 -2.428 23 HH22 ARG 16 HH22 ARG 16 -0.508 -1.556 -3.407 24 H HIS 17 H HIS 17 5.610 2.677 -2.182 25 HA HIS 17 HA HIS 17 5.603 2.712 -5.072 26 HB2 HIS 17 HB2 HIS 17 6.451 4.721 -3.852 27 HB3 HIS 17 HB3 HIS 17 7.729 3.735 -3.152 28 HD1 HIS 17 HD1 HIS 17 9.748 4.969 -4.309 29 HD2 HIS 17 HD2 HIS 17 6.938 3.504 -7.017 30 HE1 HIS 17 HE1 HIS 17 10.645 5.439 -6.579 31 H ALA 18 H ALA 18 6.846 0.993 -2.418 32 HA ALA 18 HA ALA 18 8.992 -0.261 -3.474 33 HB1 ALA 18 HB1 ALA 18 8.927 -1.890 -1.782 34 HB2 ALA 18 HB2 ALA 18 7.205 -1.638 -1.493 35 HB3 ALA 18 HB3 ALA 18 8.378 -0.367 -1.088 36 H ALA 19 H ALA 19 5.902 -0.648 -4.591 37 HA ALA 19 HA ALA 19 5.925 -3.152 -5.815 38 HB1 ALA 19 HB1 ALA 19 5.053 -0.501 -6.994 39 HB2 ALA 19 HB2 ALA 19 4.046 -1.570 -6.020 40 HB3 ALA 19 HB3 ALA 19 4.602 -2.090 -7.611 41 H ASP 20 H ASP 20 7.916 -0.288 -6.351 42 HA ASP 20 HA ASP 20 9.082 -1.057 -8.776 43 HB2 ASP 20 HB2 ASP 20 10.926 0.552 -8.223 44 HB3 ASP 20 HB3 ASP 20 9.342 1.250 -7.974 45 H TYR 21 H TYR 21 10.117 -1.448 -5.471 46 HA TYR 21 HA TYR 21 12.232 -3.322 -5.566 47 HB2 TYR 21 HB2 TYR 21 11.582 -2.192 -3.523 48 HB3 TYR 21 HB3 TYR 21 9.982 -2.888 -3.604 49 HD1 TYR 21 HD1 TYR 21 13.493 -3.528 -2.830 50 HD2 TYR 21 HD2 TYR 21 9.551 -5.111 -2.767 51 HE1 TYR 21 HE1 TYR 21 14.224 -5.262 -1.314 52 HE2 TYR 21 HE2 TYR 21 10.278 -6.899 -1.233 53 HH TYR 21 HH TYR 21 12.404 -8.060 -0.461 54 H GLN 22 H GLN 22 8.792 -3.817 -5.966 55 HA GLN 22 HA GLN 22 8.968 -6.668 -5.751 56 HB2 GLN 22 HB2 GLN 22 6.803 -5.290 -5.527 57 HB3 GLN 22 HB3 GLN 22 6.783 -5.261 -7.292 58 HG2 GLN 22 HG2 GLN 22 5.420 -7.079 -6.641 59 HG3 GLN 22 HG3 GLN 22 6.939 -7.773 -7.219 60 HE21 GLN 22 HE21 GLN 22 7.048 -9.606 -6.039 61 HE22 GLN 22 HE22 GLN 22 7.071 -9.666 -4.325 62 H GLN 23 H GLN 23 9.169 -4.340 -8.342 63 HA GLN 23 HA GLN 23 9.390 -6.252 -10.411 64 HB2 GLN 23 HB2 GLN 23 10.219 -3.370 -10.202 65 HB3 GLN 23 HB3 GLN 23 10.610 -4.327 -11.624 66 HG2 GLN 23 HG2 GLN 23 7.836 -3.822 -10.569 67 HG3 GLN 23 HG3 GLN 23 8.595 -2.944 -11.899 68 HE21 GLN 23 HE21 GLN 23 7.191 -5.945 -10.895 69 HE22 GLN 23 HE22 GLN 23 7.052 -6.643 -12.463 70 H LEU 24 H LEU 24 11.692 -4.685 -8.287 71 HA LEU 24 HA LEU 24 14.095 -5.718 -9.349 72 HB2 LEU 24 HB2 LEU 24 13.535 -4.043 -7.337 73 HB3 LEU 24 HB3 LEU 24 13.668 -5.476 -6.361 74 HG LEU 24 HG LEU 24 15.845 -4.207 -8.022 75 HD11 LEU 24 HD11 LEU 24 16.905 -3.807 -5.863 76 HD12 LEU 24 HD12 LEU 24 15.493 -4.481 -5.052 77 HD13 LEU 24 HD13 LEU 24 15.343 -3.003 -6.003 78 HD21 LEU 24 HD21 LEU 24 16.135 -6.630 -8.054 79 HD22 LEU 24 HD22 LEU 24 15.976 -6.680 -6.301 80 HD23 LEU 24 HD23 LEU 24 17.362 -5.871 -7.037 81 H ARG 25 H ARG 25 11.962 -6.958 -6.817 82 HA ARG 25 HA ARG 25 12.935 -9.374 -6.015 83 HB2 ARG 25 HB2 ARG 25 10.315 -8.148 -6.371 84 HB3 ARG 25 HB3 ARG 25 10.261 -9.887 -6.388 85 HG2 ARG 25 HG2 ARG 25 11.508 -8.284 -4.163 86 HG3 ARG 25 HG3 ARG 25 9.812 -8.766 -4.183 87 HD2 ARG 25 HD2 ARG 25 12.244 -10.536 -4.103 88 HD3 ARG 25 HD3 ARG 25 10.960 -10.369 -2.899 89 HE ARG 25 HE ARG 25 9.954 -11.238 -5.454 90 HH11 ARG 25 HH11 ARG 25 11.202 -12.457 -2.379 91 HH12 ARG 25 HH12 ARG 25 10.814 -14.069 -2.726 92 HH21 ARG 25 HH21 ARG 25 9.452 -13.244 -5.918 93 HH22 ARG 25 HH22 ARG 25 9.768 -14.595 -4.859 94 H GLU 26 H GLU 26 10.482 -9.187 -8.559 95 HA GLU 26 HA GLU 26 10.949 -11.849 -9.327 96 HB2 GLU 26 HB2 GLU 26 9.062 -9.747 -10.134 97 HB3 GLU 26 HB3 GLU 26 9.302 -11.100 -11.233 98 HG2 GLU 26 HG2 GLU 26 7.434 -11.430 -9.696 99 HG3 GLU 26 HG3 GLU 26 8.656 -12.676 -9.550 100 H ARG 27 H ARG 27 12.261 -8.884 -10.478 101 HA ARG 27 HA ARG 27 13.032 -10.117 -12.959 102 HB2 ARG 27 HB2 ARG 27 13.760 -7.404 -11.925 103 HB3 ARG 27 HB3 ARG 27 14.245 -8.047 -13.494 104 HG2 ARG 27 HG2 ARG 27 11.781 -8.514 -13.910 105 HG3 ARG 27 HG3 ARG 27 11.463 -7.498 -12.513 106 HD2 ARG 27 HD2 ARG 27 12.697 -5.687 -13.649 107 HD3 ARG 27 HD3 ARG 27 12.822 -6.762 -15.055 108 HE ARG 27 HE ARG 27 10.442 -5.419 -14.072 109 HH11 ARG 27 HH11 ARG 27 11.601 -8.031 -16.230 110 HH12 ARG 27 HH12 ARG 27 10.285 -7.930 -17.277 111 HH21 ARG 27 HH21 ARG 27 8.626 -5.349 -15.445 112 HH22 ARG 27 HH22 ARG 27 8.500 -6.337 -16.836 113 H LEU 28 H LEU 28 14.376 -9.935 -9.884 114 HA LEU 28 HA LEU 28 16.994 -10.650 -10.628 115 HB2 LEU 28 HB2 LEU 28 15.359 -11.489 -8.235 116 HB3 LEU 28 HB3 LEU 28 17.064 -11.852 -8.427 117 HG LEU 28 HG LEU 28 15.768 -9.173 -8.041 118 HD11 LEU 28 HD11 LEU 28 16.041 -10.500 -6.049 119 HD12 LEU 28 HD12 LEU 28 17.158 -9.126 -6.049 120 HD13 LEU 28 HD13 LEU 28 17.747 -10.745 -6.426 121 HD21 LEU 28 HD21 LEU 28 17.503 -8.955 -9.683 122 HD22 LEU 28 HD22 LEU 28 18.649 -9.812 -8.659 123 HD23 LEU 28 HD23 LEU 28 18.032 -8.224 -8.176 124 H ILE 29 H ILE 29 14.050 -12.440 -10.208 125 HA ILE 29 HA ILE 29 14.893 -15.058 -10.450 126 HB ILE 29 HB ILE 29 12.372 -13.595 -10.839 127 HG12 ILE 29 HG12 ILE 29 11.508 -15.197 -9.315 128 HG13 ILE 29 HG11 ILE 29 12.893 -16.252 -9.540 129 HG21 ILE 29 HG21 ILE 29 11.085 -15.460 -11.748 130 HG22 ILE 29 HG22 ILE 29 12.586 -16.331 -12.061 131 HG23 ILE 29 HG23 ILE 29 12.253 -14.821 -12.910 132 HD11 ILE 29 HD11 ILE 29 14.327 -14.604 -8.535 133 HD12 ILE 29 HD12 ILE 29 13.011 -15.042 -7.433 134 HD13 ILE 29 HD13 ILE 29 12.962 -13.508 -8.331 135 H GLN 30 H GLN 30 14.440 -12.750 -12.927 136 HA GLN 30 HA GLN 30 14.517 -14.377 -15.237 137 HB2 GLN 30 HB2 GLN 30 15.699 -11.643 -14.862 138 HB3 GLN 30 HB3 GLN 30 15.153 -12.347 -16.390 139 HG2 GLN 30 HG2 GLN 30 12.836 -12.197 -15.510 140 HG3 GLN 30 HG3 GLN 30 13.550 -11.549 -14.023 141 HE21 GLN 30 HE21 GLN 30 15.541 -9.942 -15.209 142 HE22 GLN 30 HE22 GLN 30 14.788 -8.599 -15.977 143 H GLU 31 H GLU 31 17.030 -12.636 -13.465 144 HA GLU 31 HA GLU 31 19.069 -13.693 -15.211 145 HB2 GLU 31 HB2 GLU 31 19.406 -11.747 -12.931 146 HB3 GLU 31 HB3 GLU 31 20.510 -12.024 -14.285 147 HG2 GLU 31 HG2 GLU 31 18.538 -11.394 -15.785 148 HG3 GLU 31 HG3 GLU 31 17.814 -10.844 -14.270 149 H LEU 32 H LEU 32 17.784 -14.359 -12.104 150 HA LEU 32 HA LEU 32 20.076 -15.764 -11.222 151 HB2 LEU 32 HB2 LEU 32 17.249 -15.749 -10.126 152 HB3 LEU 32 HB3 LEU 32 18.641 -16.481 -9.355 153 HG LEU 32 HG LEU 32 18.074 -13.651 -9.911 154 HD11 LEU 32 HD11 LEU 32 18.430 -15.149 -7.321 155 HD12 LEU 32 HD12 LEU 32 16.940 -14.450 -7.965 156 HD13 LEU 32 HD13 LEU 32 18.254 -13.398 -7.439 157 HD21 LEU 32 HD21 LEU 32 20.336 -13.805 -10.339 158 HD22 LEU 32 HD22 LEU 32 20.660 -14.794 -8.905 159 HD23 LEU 32 HD23 LEU 32 20.204 -13.088 -8.739 160 H ASN 33 H ASN 33 17.396 -16.278 -13.184 161 HA ASN 33 HA ASN 33 16.404 -17.905 -14.262 162 HB2 ASN 33 HB2 ASN 33 18.709 -18.142 -15.223 163 HB3 ASN 33 HB3 ASN 33 19.059 -19.374 -14.022 164 HD21 ASN 33 HD21 ASN 33 18.077 -21.391 -14.243 165 HD22 ASN 33 HD22 ASN 33 17.378 -21.928 -15.745 166 H LEU 34 H LEU 34 15.289 -18.009 -12.089 167 HA LEU 34 HA LEU 34 14.859 -20.711 -11.456 168 HB2 LEU 34 HB2 LEU 34 15.104 -20.267 -8.981 169 HB3 LEU 34 HB3 LEU 34 16.568 -20.569 -9.905 170 HG LEU 34 HG LEU 34 16.934 -18.066 -9.878 171 HD11 LEU 34 HD11 LEU 34 14.677 -17.410 -9.379 172 HD12 LEU 34 HD12 LEU 34 15.807 -16.759 -8.180 173 HD13 LEU 34 HD13 LEU 34 14.783 -18.149 -7.784 174 HD21 LEU 34 HD21 LEU 34 16.862 -19.528 -7.261 175 HD22 LEU 34 HD22 LEU 34 17.826 -18.084 -7.609 176 HD23 LEU 34 HD23 LEU 34 18.142 -19.598 -8.470 177 H THR 35 H THR 35 13.119 -20.603 -9.413 178 HA THR 35 HA THR 35 11.112 -18.909 -10.561 179 HB THR 35 HB THR 35 9.819 -20.500 -8.802 180 HG1 THR 35 HG1 THR 35 11.366 -21.785 -8.044 181 HG21 THR 35 HG21 THR 35 9.396 -22.026 -10.691 182 HG22 THR 35 HG22 THR 35 10.777 -21.345 -11.550 183 HG23 THR 35 HG23 THR 35 9.363 -20.345 -11.223 184 HA PRO 36 HA PRO 36 11.070 -15.863 -7.404 185 HB2 PRO 36 HB2 PRO 36 8.389 -15.688 -6.741 186 HB3 PRO 36 HB3 PRO 36 9.129 -14.940 -8.171 187 HG2 PRO 36 HG2 PRO 36 7.643 -17.505 -7.967 188 HG3 PRO 36 HG3 PRO 36 7.570 -16.254 -9.225 189 HD2 PRO 36 HD2 PRO 36 8.922 -18.487 -9.657 190 HD3 PRO 36 HD3 PRO 36 9.561 -16.923 -10.207 191 H GLN 37 H GLN 37 10.251 -18.971 -6.488 192 HA GLN 37 HA GLN 37 9.892 -18.247 -3.679 193 HB2 GLN 37 HB2 GLN 37 9.645 -20.900 -5.096 194 HB3 GLN 37 HB3 GLN 37 9.402 -20.660 -3.375 195 HG2 GLN 37 HG2 GLN 37 7.492 -19.238 -3.809 196 HG3 GLN 37 HG3 GLN 37 7.773 -19.358 -5.545 197 HE21 GLN 37 HE21 GLN 37 5.715 -20.243 -5.877 198 HE22 GLN 37 HE22 GLN 37 5.367 -21.876 -5.421 199 H GLN 38 H GLN 38 12.340 -19.207 -5.913 200 HA GLN 38 HA GLN 38 13.846 -20.534 -3.835 201 HB2 GLN 38 HB2 GLN 38 13.950 -20.618 -6.821 202 HB3 GLN 38 HB3 GLN 38 15.336 -21.134 -5.873 203 HG2 GLN 38 HG2 GLN 38 13.983 -23.047 -6.482 204 HG3 GLN 38 HG3 GLN 38 13.944 -22.805 -4.742 205 HE21 GLN 38 HE21 GLN 38 12.066 -23.938 -4.472 206 HE22 GLN 38 HE22 GLN 38 10.524 -23.372 -5.001 207 H LEU 39 H LEU 39 13.611 -17.519 -4.177 208 HA LEU 39 HA LEU 39 16.501 -17.119 -4.281 209 HB2 LEU 39 HB2 LEU 39 16.233 -14.740 -4.599 210 HB3 LEU 39 HB3 LEU 39 15.206 -15.534 -5.755 211 HG LEU 39 HG LEU 39 13.212 -14.906 -4.312 212 HD11 LEU 39 HD11 LEU 39 15.251 -13.217 -2.844 213 HD12 LEU 39 HD12 LEU 39 14.472 -14.608 -2.169 214 HD13 LEU 39 HD13 LEU 39 13.504 -13.185 -2.591 215 HD21 LEU 39 HD21 LEU 39 14.973 -12.641 -5.203 216 HD22 LEU 39 HD22 LEU 39 13.225 -12.572 -4.966 217 HD23 LEU 39 HD23 LEU 39 13.905 -13.575 -6.250 218 H HIS 40 H HIS 40 17.418 -15.702 -2.514 219 HA HIS 40 HA HIS 40 15.920 -16.188 -0.061 220 HB2 HIS 40 HB2 HIS 40 18.957 -16.198 -0.300 221 HB3 HIS 40 HB3 HIS 40 17.915 -16.726 1.009 222 HD1 HIS 40 HD1 HIS 40 19.554 -18.107 -2.012 223 HD2 HIS 40 HD2 HIS 40 16.551 -19.185 0.654 224 HE1 HIS 40 HE1 HIS 40 19.164 -20.570 -2.349 225 H GLU 41 H GLU 41 15.151 -14.061 0.110 226 HA GLU 41 HA GLU 41 16.988 -11.926 -0.559 227 HB2 GLU 41 HB2 GLU 41 15.177 -10.372 -0.289 228 HB3 GLU 41 HB3 GLU 41 14.837 -11.593 -1.506 229 HG2 GLU 41 HG2 GLU 41 13.443 -12.731 0.265 230 HG3 GLU 41 HG3 GLU 41 13.673 -11.282 1.250 231 H GLU 42 H GLU 42 16.000 -13.422 2.234 232 HA GLU 42 HA GLU 42 16.812 -11.179 3.915 233 HB2 GLU 42 HB2 GLU 42 16.135 -12.585 5.806 234 HB3 GLU 42 HB3 GLU 42 14.846 -12.560 4.622 235 HG2 GLU 42 HG2 GLU 42 16.813 -14.812 5.060 236 HG3 GLU 42 HG3 GLU 42 15.139 -14.785 5.606 237 H SER 43 H SER 43 17.865 -13.914 2.380 238 HA SER 43 HA SER 43 20.288 -14.267 3.899 239 HB2 SER 43 HB2 SER 43 19.112 -15.534 1.539 240 HB3 SER 43 HB3 SER 43 20.516 -16.194 2.397 241 HG SER 43 HG SER 43 17.793 -16.047 3.181 242 H ASN 44 H ASN 44 22.204 -14.613 2.389 243 HA ASN 44 HA ASN 44 22.573 -12.138 1.093 244 HB2 ASN 44 HB2 ASN 44 24.359 -13.403 2.432 245 HB3 ASN 44 HB3 ASN 44 24.501 -14.449 1.025 246 HD21 ASN 44 HD21 ASN 44 26.526 -12.782 2.242 247 HD22 ASN 44 HD22 ASN 44 27.043 -11.693 1.009 248 H LEU 45 H LEU 45 22.379 -11.562 -0.883 249 HA LEU 45 HA LEU 45 21.392 -13.385 -2.842 250 HB2 LEU 45 HB2 LEU 45 22.075 -10.462 -3.033 251 HB3 LEU 45 HB3 LEU 45 21.327 -11.383 -4.317 252 HG LEU 45 HG LEU 45 20.088 -10.886 -1.605 253 HD11 LEU 45 HD11 LEU 45 18.611 -9.358 -2.793 254 HD12 LEU 45 HD12 LEU 45 19.499 -9.642 -4.287 255 HD13 LEU 45 HD13 LEU 45 20.290 -8.835 -2.929 256 HD21 LEU 45 HD21 LEU 45 18.039 -11.744 -2.673 257 HD22 LEU 45 HD22 LEU 45 19.304 -12.964 -2.630 258 HD23 LEU 45 HD23 LEU 45 18.959 -12.106 -4.132 259 H ILE 46 H ILE 46 24.537 -12.243 -2.016 260 HA ILE 46 HA ILE 46 25.731 -12.554 -4.625 261 HB ILE 46 HB ILE 46 27.165 -12.559 -1.914 262 HG12 ILE 46 HG12 ILE 46 25.751 -10.529 -2.191 263 HG13 ILE 46 HG11 ILE 46 27.469 -10.176 -2.087 264 HG21 ILE 46 HG21 ILE 46 28.160 -11.865 -4.682 265 HG22 ILE 46 HG22 ILE 46 28.661 -13.258 -3.709 266 HG23 ILE 46 HG23 ILE 46 29.058 -11.605 -3.198 267 HD11 ILE 46 HD11 ILE 46 25.856 -10.271 -4.619 268 HD12 ILE 46 HD12 ILE 46 27.554 -9.807 -4.478 269 HD13 ILE 46 HD13 ILE 46 26.297 -8.810 -3.738 270 H GLN 47 H GLN 47 24.533 -14.639 -2.327 271 HA GLN 47 HA GLN 47 26.312 -16.835 -2.866 272 HB2 GLN 47 HB2 GLN 47 23.718 -16.738 -1.362 273 HB3 GLN 47 HB3 GLN 47 24.731 -18.171 -1.478 274 HG2 GLN 47 HG2 GLN 47 25.500 -15.549 -0.232 275 HG3 GLN 47 HG3 GLN 47 25.046 -17.006 0.656 276 HE21 GLN 47 HE21 GLN 47 26.583 -18.700 -1.271 277 HE22 GLN 47 HE22 GLN 47 28.239 -18.427 -0.854 278 H ALA 48 H ALA 48 23.845 -15.348 -4.399 279 HA ALA 48 HA ALA 48 23.007 -17.709 -5.922 280 HB1 ALA 48 HB1 ALA 48 21.701 -14.980 -5.651 281 HB2 ALA 48 HB2 ALA 48 21.120 -16.476 -4.920 282 HB3 ALA 48 HB3 ALA 48 21.108 -16.288 -6.674 283 H GLY 49 H GLY 49 22.443 -16.622 -8.374 284 HA2 GLY 49 HA2 GLY 49 25.098 -15.881 -9.217 285 HA3 GLY 49 HA3 GLY 49 23.694 -16.096 -10.259 286 H LEU 50 H LEU 50 25.373 -13.887 -8.142 287 HA LEU 50 HA LEU 50 24.125 -11.681 -9.529 288 HB2 LEU 50 HB2 LEU 50 23.001 -11.897 -7.389 289 HB3 LEU 50 HB3 LEU 50 24.533 -12.035 -6.555 290 HG LEU 50 HG LEU 50 25.062 -9.753 -7.181 291 HD11 LEU 50 HD11 LEU 50 23.708 -9.501 -9.170 292 HD12 LEU 50 HD12 LEU 50 23.227 -8.274 -7.995 293 HD13 LEU 50 HD13 LEU 50 22.228 -9.707 -8.234 294 HD21 LEU 50 HD21 LEU 50 22.426 -9.954 -5.735 295 HD22 LEU 50 HD22 LEU 50 23.643 -8.675 -5.559 296 HD23 LEU 50 HD23 LEU 50 23.991 -10.309 -5.022 297 H ASP 51 H ASP 51 25.784 -11.272 -10.709 298 HA ASP 51 HA ASP 51 28.465 -11.062 -9.663 299 HB2 ASP 51 HB2 ASP 51 28.955 -10.510 -12.100 300 HB3 ASP 51 HB3 ASP 51 28.269 -12.107 -11.815 301 H 4HJ 52 H 4HJ 52 29.288 -8.851 -11.369 302 HA 4HJ 52 HA 4HJ 52 28.212 -6.866 -9.573 303 HAA 4HJ 52 HAA 4HJ 52 28.672 -9.184 -7.457 304 HB3 4HJ 52 HB3 4HJ 52 30.171 -5.485 -10.278 305 HB2 4HJ 52 HB2 4HJ 52 30.692 -7.020 -9.575 306 HZ1 4HJ 52 HZ1 4HJ 52 29.542 -11.184 -6.385 307 HZ2 4HJ 52 HZ2 4HJ 52 30.070 -7.173 -7.713 308 HZ 4HJ 52 HZ 4HJ 52 32.824 -11.275 -4.980 309 HJ2 4HJ 52 HJ2 4HJ 52 31.066 -3.742 -11.111 310 HJ3 4HJ 52 HJ3 4HJ 52 32.577 -3.502 -11.971 311 HL12 4HJ 52 HL12 4HJ 52 32.296 -4.560 -8.522 312 HL11 4HJ 52 HL11 4HJ 52 31.067 -3.331 -8.597 313 HL13 4HJ 52 HL13 4HJ 52 32.522 -2.956 -7.715 314 HL22 4HJ 52 HL22 4HJ 52 32.386 -1.173 -11.055 315 HL21 4HJ 52 HL21 4HJ 52 32.576 -0.880 -9.274 316 HL23 4HJ 52 HL23 4HJ 52 31.123 -1.574 -9.919 317 HM 4HJ 52 HM 4HJ 52 34.237 -4.871 -9.914 318 HN 4HJ 52 HN 4HJ 52 34.736 -4.721 -12.200 319 HL3 4HJ 52 HL3 4HJ 52 34.745 -2.198 -9.304 320 HO2 4HJ 52 HO2 4HJ 52 37.212 -4.073 -10.741 321 HO3 4HJ 52 HO3 4HJ 52 37.320 -4.225 -12.527 322 HP2 4HJ 52 HP2 4HJ 52 37.913 -6.297 -11.699 323 HP3 4HJ 52 HP3 4HJ 52 36.201 -6.599 -11.923 324 HS2 4HJ 52 HS2 4HJ 52 34.284 -7.455 -10.202 325 HS3 4HJ 52 HS3 4HJ 52 34.621 -6.561 -8.694 326 HT3 4HJ 52 HT3 4HJ 52 34.594 -9.540 -8.874 327 HT2 4HJ 52 HT2 4HJ 52 33.310 -8.490 -8.317 328 HY2 4HJ 52 HY2 4HJ 52 32.414 -7.152 -6.966 329 HR 4HJ 52 HR 4HJ 52 36.759 -8.297 -9.505 330 H ILE 53 H ILE 53 27.950 -7.947 -12.728 331 HA ILE 53 HA ILE 53 27.461 -5.353 -13.744 332 HB ILE 53 HB ILE 53 28.295 -7.590 -14.939 333 HG12 ILE 53 HG12 ILE 53 28.553 -5.440 -15.873 334 HG13 ILE 53 HG11 ILE 53 27.845 -6.514 -17.080 335 HG21 ILE 53 HG21 ILE 53 25.357 -7.462 -15.693 336 HG22 ILE 53 HG22 ILE 53 26.165 -8.801 -14.876 337 HG23 ILE 53 HG23 ILE 53 26.570 -8.415 -16.550 338 HD11 ILE 53 HD11 ILE 53 26.771 -4.312 -17.178 339 HD12 ILE 53 HD12 ILE 53 26.420 -4.433 -15.448 340 HD13 ILE 53 HD13 ILE 53 25.625 -5.529 -16.565 341 H ARG 54 H ARG 54 25.680 -8.122 -12.660 342 HA ARG 54 HA ARG 54 23.059 -7.014 -12.989 343 HB2 ARG 54 HB2 ARG 54 24.214 -9.108 -11.216 344 HB3 ARG 54 HB3 ARG 54 22.645 -8.427 -10.801 345 HG2 ARG 54 HG2 ARG 54 22.364 -10.445 -12.070 346 HG3 ARG 54 HG3 ARG 54 21.807 -9.064 -13.006 347 HD2 ARG 54 HD2 ARG 54 24.008 -9.062 -14.171 348 HD3 ARG 54 HD3 ARG 54 24.388 -10.554 -13.289 349 HE ARG 54 HE ARG 54 22.016 -10.305 -14.974 350 HH11 ARG 54 HH11 ARG 54 25.058 -11.992 -14.193 351 HH12 ARG 54 HH12 ARG 54 24.772 -13.303 -15.210 352 HH21 ARG 54 HH21 ARG 54 21.612 -12.065 -16.355 353 HH22 ARG 54 HH22 ARG 54 22.710 -13.377 -16.512 354 H LEU 55 H LEU 55 25.358 -6.865 -10.329 355 HA LEU 55 HA LEU 55 23.766 -5.269 -8.715 356 HB2 LEU 55 HB2 LEU 55 26.713 -5.679 -8.853 357 HB3 LEU 55 HB3 LEU 55 26.016 -4.534 -7.724 358 HG LEU 55 HG LEU 55 25.091 -7.396 -7.793 359 HD11 LEU 55 HD11 LEU 55 26.613 -7.829 -5.966 360 HD12 LEU 55 HD12 LEU 55 27.268 -6.199 -6.117 361 HD13 LEU 55 HD13 LEU 55 27.508 -7.368 -7.415 362 HD21 LEU 55 HD21 LEU 55 25.021 -5.205 -5.733 363 HD22 LEU 55 HD22 LEU 55 24.472 -6.848 -5.473 364 HD23 LEU 55 HD23 LEU 55 23.645 -5.822 -6.651 365 H MET 56 H MET 56 26.306 -4.145 -11.034 366 HA MET 56 HA MET 56 25.701 -1.443 -10.463 367 HB2 MET 56 HB2 MET 56 27.198 -2.790 -12.673 368 HB3 MET 56 HB3 MET 56 26.749 -1.107 -12.858 369 HG2 MET 56 HG2 MET 56 29.042 -1.303 -12.082 370 HG3 MET 56 HG3 MET 56 28.049 -0.520 -10.875 371 HE1 MET 56 HE1 MET 56 26.824 -2.555 -8.945 372 HE2 MET 56 HE2 MET 56 27.963 -1.330 -8.381 373 HE3 MET 56 HE3 MET 56 28.161 -3.007 -7.884 374 H ARG 57 H ARG 57 24.352 -3.694 -12.700 375 HA ARG 57 HA ARG 57 22.676 -2.115 -14.284 376 HB2 ARG 57 HB2 ARG 57 23.099 -4.361 -14.732 377 HB3 ARG 57 HB3 ARG 57 22.477 -4.854 -13.178 378 HG2 ARG 57 HG2 ARG 57 20.306 -4.648 -13.848 379 HG3 ARG 57 HG3 ARG 57 20.707 -3.540 -15.174 380 HD2 ARG 57 HD2 ARG 57 21.628 -5.085 -16.434 381 HD3 ARG 57 HD3 ARG 57 21.989 -6.178 -15.111 382 HE ARG 57 HE ARG 57 19.706 -6.903 -15.104 383 HH11 ARG 57 HH11 ARG 57 20.422 -4.888 -17.910 384 HH12 ARG 57 HH12 ARG 57 19.259 -5.633 -18.915 385 HH21 ARG 57 HH21 ARG 57 18.277 -7.889 -16.330 386 HH22 ARG 57 HH22 ARG 57 17.909 -7.485 -17.974 387 H TRP 58 H TRP 58 22.155 -3.534 -11.102 388 HA TRP 58 HA TRP 58 19.497 -2.521 -10.734 389 HB2 TRP 58 HB2 TRP 58 21.477 -3.443 -8.646 390 HB3 TRP 58 HB3 TRP 58 19.761 -3.094 -8.373 391 HD1 TRP 58 HD1 TRP 58 21.667 -6.027 -8.651 392 HE1 TRP 58 HE1 TRP 58 20.483 -7.948 -9.912 393 HE3 TRP 58 HE3 TRP 58 17.811 -3.399 -10.835 394 HZ2 TRP 58 HZ2 TRP 58 18.259 -8.292 -11.589 395 HZ3 TRP 58 HZ3 TRP 58 16.214 -4.610 -12.218 396 HH2 TRP 58 HH2 TRP 58 16.405 -6.998 -12.578 397 H LEU 59 H LEU 59 22.521 -1.142 -9.615 398 HA LEU 59 HA LEU 59 21.384 1.167 -8.459 399 HB2 LEU 59 HB2 LEU 59 24.014 0.845 -9.888 400 HB3 LEU 59 HB3 LEU 59 23.522 2.365 -9.188 401 HG LEU 59 HG LEU 59 25.080 1.273 -7.757 402 HD11 LEU 59 HD11 LEU 59 23.304 2.540 -6.716 403 HD12 LEU 59 HD12 LEU 59 23.880 1.225 -5.693 404 HD13 LEU 59 HD13 LEU 59 22.340 1.064 -6.564 405 HD21 LEU 59 HD21 LEU 59 24.638 -0.900 -6.741 406 HD22 LEU 59 HD22 LEU 59 24.711 -0.974 -8.524 407 HD23 LEU 59 HD23 LEU 59 23.161 -1.016 -7.722 408 H HIS 60 H HIS 60 22.375 0.516 -11.690 409 HA HIS 60 HA HIS 60 21.847 3.036 -12.799 410 HB2 HIS 60 HB2 HIS 60 23.413 1.485 -13.721 411 HB3 HIS 60 HB3 HIS 60 22.180 0.276 -13.937 412 HD1 HIS 60 HD1 HIS 60 23.616 3.320 -15.626 413 HD2 HIS 60 HD2 HIS 60 20.463 0.666 -16.146 414 HE1 HIS 60 HE1 HIS 60 22.683 3.780 -17.919 415 H TRP 61 H TRP 61 19.804 0.318 -12.113 416 HA TRP 61 HA TRP 61 17.732 0.975 -14.003 417 HB2 TRP 61 HB2 TRP 61 18.248 -1.337 -13.364 418 HB3 TRP 61 HB3 TRP 61 17.866 -0.962 -11.701 419 HD1 TRP 61 HD1 TRP 61 15.938 -0.784 -15.093 420 HE1 TRP 61 HE1 TRP 61 13.537 -1.614 -14.661 421 HE3 TRP 61 HE3 TRP 61 16.298 -1.707 -10.110 422 HZ2 TRP 61 HZ2 TRP 61 12.005 -2.552 -12.473 423 HZ3 TRP 61 HZ3 TRP 61 14.334 -2.570 -8.911 424 HH2 TRP 61 HH2 TRP 61 12.243 -2.984 -10.067 425 H PHE 62 H PHE 62 17.705 0.843 -10.423 426 HA PHE 62 HA PHE 62 15.360 2.391 -10.370 427 HB2 PHE 62 HB2 PHE 62 16.210 2.722 -7.763 428 HB3 PHE 62 HB3 PHE 62 15.176 1.436 -8.347 429 HD1 PHE 62 HD1 PHE 62 18.634 2.342 -7.440 430 HD2 PHE 62 HD2 PHE 62 15.883 -0.737 -8.401 431 HE1 PHE 62 HE1 PHE 62 20.269 0.628 -6.703 432 HE2 PHE 62 HE2 PHE 62 17.480 -2.433 -7.698 433 HZ PHE 62 HZ PHE 62 19.662 -1.797 -6.908 434 H ARG 63 H ARG 63 18.498 3.316 -10.675 435 HA ARG 63 HA ARG 63 18.773 5.834 -9.701 436 HB2 ARG 63 HB2 ARG 63 20.096 4.347 -11.560 437 HB3 ARG 63 HB3 ARG 63 19.455 5.635 -12.564 438 HG2 ARG 63 HG2 ARG 63 21.661 6.239 -11.879 439 HG3 ARG 63 HG3 ARG 63 20.521 7.276 -11.007 440 HD2 ARG 63 HD2 ARG 63 20.676 5.855 -9.052 441 HD3 ARG 63 HD3 ARG 63 21.714 4.737 -9.922 442 HE ARG 63 HE ARG 63 22.811 7.332 -9.852 443 HH11 ARG 63 HH11 ARG 63 22.277 4.413 -7.940 444 HH12 ARG 63 HH12 ARG 63 23.581 4.700 -6.858 445 HH21 ARG 63 HH21 ARG 63 24.656 7.720 -8.303 446 HH22 ARG 63 HH22 ARG 63 24.896 6.571 -7.056 447 H LYS 64 H LYS 64 16.703 4.812 -12.396 448 HA LYS 64 HA LYS 64 16.142 7.355 -13.518 449 HB2 LYS 64 HB2 LYS 64 14.624 4.751 -13.646 450 HB3 LYS 64 HB3 LYS 64 14.014 6.208 -14.394 451 HG2 LYS 64 HG2 LYS 64 15.036 4.905 -16.088 452 HG3 LYS 64 HG3 LYS 64 16.128 6.257 -15.781 453 HD2 LYS 64 HD2 LYS 64 17.525 4.749 -14.449 454 HD3 LYS 64 HD3 LYS 64 16.400 3.429 -14.781 455 HE2 LYS 64 HE2 LYS 64 16.799 3.803 -17.221 456 HE3 LYS 64 HE3 LYS 64 18.060 4.954 -16.782 457 HZ1 LYS 64 HZ1 LYS 64 18.000 2.052 -16.209 458 HZ2 LYS 64 HZ2 LYS 64 19.060 3.094 -15.478 459 HZ3 LYS 64 HZ3 LYS 64 19.148 2.875 -17.152 460 H ASN 65 H ASN 65 14.849 5.688 -10.766 461 HA ASN 65 HA ASN 65 12.554 7.467 -10.587 462 HB2 ASN 65 HB2 ASN 65 13.432 5.203 -8.762 463 HB3 ASN 65 HB3 ASN 65 11.964 6.137 -8.555 464 HD21 ASN 65 HD21 ASN 65 10.657 4.271 -8.690 465 HD22 ASN 65 HD22 ASN 65 10.435 3.451 -10.180 466 H GLY 66 H GLY 66 15.656 7.859 -10.017 467 HA2 GLY 66 HA2 GLY 66 16.532 9.779 -8.982 468 HA3 GLY 66 HA3 GLY 66 15.129 9.821 -7.929 469 H TYR 67 H TYR 67 16.345 6.711 -8.050 470 HA TYR 67 HA TYR 67 17.210 6.880 -5.354 471 HB2 TYR 67 HB2 TYR 67 17.302 4.597 -7.306 472 HB3 TYR 67 HB3 TYR 67 17.902 4.463 -5.655 473 HD1 TYR 67 HD1 TYR 67 16.333 4.812 -3.765 474 HD2 TYR 67 HD2 TYR 67 14.991 4.481 -7.760 475 HE1 TYR 67 HE1 TYR 67 14.077 4.337 -2.962 476 HE2 TYR 67 HE2 TYR 67 12.710 3.997 -6.964 477 HH TYR 67 HH TYR 67 11.656 3.124 -4.985 478 H ARG 68 H ARG 68 18.884 7.911 -4.857 479 HA ARG 68 HA ARG 68 21.349 7.706 -6.414 480 HB2 ARG 68 HB2 ARG 68 20.641 9.477 -4.098 481 HB3 ARG 68 HB3 ARG 68 22.079 9.625 -5.100 482 HG2 ARG 68 HG2 ARG 68 20.701 10.194 -7.030 483 HG3 ARG 68 HG3 ARG 68 19.242 9.980 -6.067 484 HD2 ARG 68 HD2 ARG 68 20.007 11.813 -4.584 485 HD3 ARG 68 HD3 ARG 68 21.388 12.059 -5.657 486 HE ARG 68 HE ARG 68 18.953 12.099 -7.074 487 HH11 ARG 68 HH11 ARG 68 20.947 14.124 -4.970 488 HH12 ARG 68 HH12 ARG 68 20.379 15.613 -5.556 489 HH21 ARG 68 HH21 ARG 68 18.127 14.164 -7.921 490 HH22 ARG 68 HH22 ARG 68 18.709 15.635 -7.303 491 H LEU 69 H LEU 69 21.951 5.649 -5.730 492 HA LEU 69 HA LEU 69 22.717 5.346 -2.862 493 HB2 LEU 69 HB2 LEU 69 22.230 3.136 -4.847 494 HB3 LEU 69 HB3 LEU 69 22.421 3.000 -3.117 495 HG LEU 69 HG LEU 69 20.037 4.116 -4.589 496 HD11 LEU 69 HD11 LEU 69 18.841 2.197 -3.635 497 HD12 LEU 69 HD12 LEU 69 20.356 1.595 -2.970 498 HD13 LEU 69 HD13 LEU 69 20.145 1.713 -4.709 499 HD21 LEU 69 HD21 LEU 69 20.334 5.375 -2.550 500 HD22 LEU 69 HD22 LEU 69 20.512 3.892 -1.610 501 HD23 LEU 69 HD23 LEU 69 18.962 4.281 -2.363 502 H THR 70 H THR 70 24.562 4.057 -2.488 503 HA THR 70 HA THR 70 26.414 4.385 -4.679 504 HB THR 70 HB THR 70 28.264 4.232 -2.926 505 HG1 THR 70 HG1 THR 70 26.358 3.664 -1.306 506 HG21 THR 70 HG21 THR 70 27.695 6.357 -3.950 507 HG22 THR 70 HG22 THR 70 28.112 6.584 -2.251 508 HG23 THR 70 HG23 THR 70 26.421 6.608 -2.757 509 H LEU 71 H LEU 71 28.287 2.619 -3.907 510 HA LEU 71 HA LEU 71 26.760 0.366 -4.758 511 HB2 LEU 71 HB2 LEU 71 29.761 0.492 -4.662 512 HB3 LEU 71 HB3 LEU 71 28.735 -0.772 -5.338 513 HG LEU 71 HG LEU 71 29.516 0.466 -7.205 514 HD11 LEU 71 HD11 LEU 71 26.781 1.540 -6.624 515 HD12 LEU 71 HD12 LEU 71 27.095 -0.094 -7.156 516 HD13 LEU 71 HD13 LEU 71 27.502 1.268 -8.218 517 HD21 LEU 71 HD21 LEU 71 28.577 2.925 -5.791 518 HD22 LEU 71 HD22 LEU 71 29.260 2.892 -7.427 519 HD23 LEU 71 HD23 LEU 71 30.274 2.483 -6.027 520 H ARG 72 H ARG 72 28.149 1.383 -1.881 521 HA ARG 72 HA ARG 72 29.141 -1.169 -1.026 522 HB2 ARG 72 HB2 ARG 72 30.254 -0.105 0.597 523 HB3 ARG 72 HB3 ARG 72 29.949 1.285 -0.391 524 HG2 ARG 72 HG2 ARG 72 28.158 0.573 1.939 525 HG3 ARG 72 HG3 ARG 72 29.594 1.568 2.121 526 HD2 ARG 72 HD2 ARG 72 28.649 3.217 0.590 527 HD3 ARG 72 HD3 ARG 72 27.240 2.190 0.334 528 HE ARG 72 HE ARG 72 27.159 2.531 2.996 529 HH11 ARG 72 HH11 ARG 72 27.200 4.902 0.347 530 HH12 ARG 72 HH12 ARG 72 26.682 6.165 1.384 531 HH21 ARG 72 HH21 ARG 72 26.465 4.127 4.211 532 HH22 ARG 72 HH22 ARG 72 26.264 5.752 3.753 533 H GLU 73 H GLU 73 26.173 0.523 -0.639 534 HA GLU 73 HA GLU 73 25.331 -0.778 1.729 535 HB2 GLU 73 HB2 GLU 73 23.486 0.163 -0.459 536 HB3 GLU 73 HB3 GLU 73 23.187 0.090 1.270 537 HG2 GLU 73 HG2 GLU 73 23.573 2.395 1.035 538 HG3 GLU 73 HG3 GLU 73 25.227 1.760 1.265 539 H LEU 74 H LEU 74 25.213 -1.481 -1.585 540 HA LEU 74 HA LEU 74 23.464 -3.763 -1.331 541 HB2 LEU 74 HB2 LEU 74 25.068 -2.950 -3.762 542 HB3 LEU 74 HB3 LEU 74 23.757 -4.104 -3.725 543 HG LEU 74 HG LEU 74 22.374 -2.053 -2.858 544 HD11 LEU 74 HD11 LEU 74 24.140 -0.492 -2.609 545 HD12 LEU 74 HD12 LEU 74 23.096 0.052 -3.922 546 HD13 LEU 74 HD13 LEU 74 24.649 -0.709 -4.275 547 HD21 LEU 74 HD21 LEU 74 23.180 -2.350 -5.740 548 HD22 LEU 74 HD22 LEU 74 21.765 -1.483 -5.126 549 HD23 LEU 74 HD23 LEU 74 21.886 -3.231 -4.909 550 H TYR 75 H TYR 75 26.697 -3.232 -0.889 551 HA TYR 75 HA TYR 75 27.439 -6.024 -1.421 552 HB2 TYR 75 HB2 TYR 75 28.999 -3.524 -1.045 553 HB3 TYR 75 HB3 TYR 75 29.806 -5.059 -0.822 554 HD1 TYR 75 HD1 TYR 75 28.814 -6.744 -2.862 555 HD2 TYR 75 HD2 TYR 75 29.559 -2.579 -2.999 556 HE1 TYR 75 HE1 TYR 75 29.134 -6.901 -5.278 557 HE2 TYR 75 HE2 TYR 75 29.882 -2.706 -5.451 558 HH TYR 75 HH TYR 75 30.493 -4.422 -7.142 559 H ALA 76 H ALA 76 27.283 -3.638 1.152 560 HA ALA 76 HA ALA 76 28.535 -5.293 3.000 561 HB1 ALA 76 HB1 ALA 76 27.761 -3.694 4.716 562 HB2 ALA 76 HB2 ALA 76 26.697 -2.951 3.522 563 HB3 ALA 76 HB3 ALA 76 28.446 -2.874 3.312 564 H ALA 77 H ALA 77 25.175 -4.694 2.166 565 HA ALA 77 HA ALA 77 24.500 -7.179 3.501 566 HB1 ALA 77 HB1 ALA 77 22.852 -4.655 3.746 567 HB2 ALA 77 HB2 ALA 77 23.809 -5.384 5.036 568 HB3 ALA 77 HB3 ALA 77 22.415 -6.242 4.380 569 HA PRO 78 HA PRO 78 22.816 -7.016 -0.736 570 HB2 PRO 78 HB2 PRO 78 23.885 -9.647 -1.183 571 HB3 PRO 78 HB3 PRO 78 24.427 -8.127 -1.923 572 HG2 PRO 78 HG2 PRO 78 25.955 -9.579 -0.190 573 HG3 PRO 78 HG3 PRO 78 26.122 -7.833 -0.454 574 HD2 PRO 78 HD2 PRO 78 24.742 -9.272 1.764 575 HD3 PRO 78 HD3 PRO 78 25.751 -7.807 1.812 576 H THR 79 H THR 79 20.850 -7.176 0.331 577 HA THR 79 HA THR 79 19.530 -9.747 0.237 578 HB THR 79 HB THR 79 18.516 -9.246 2.520 579 HG1 THR 79 HG1 THR 79 20.651 -7.390 2.604 580 HG21 THR 79 HG21 THR 79 20.381 -10.072 3.905 581 HG22 THR 79 HG22 THR 79 21.506 -9.717 2.593 582 HG23 THR 79 HG23 THR 79 20.276 -10.964 2.385 583 H LEU 80 H LEU 80 17.365 -9.247 -0.474 584 HA LEU 80 HA LEU 80 16.881 -6.537 -1.210 585 HB2 LEU 80 HB2 LEU 80 14.837 -8.743 -1.019 586 HB3 LEU 80 HB3 LEU 80 14.618 -7.195 -1.750 587 HG LEU 80 HG LEU 80 16.575 -9.205 -2.632 588 HD11 LEU 80 HD11 LEU 80 13.936 -8.262 -3.764 589 HD12 LEU 80 HD12 LEU 80 14.225 -9.853 -3.042 590 HD13 LEU 80 HD13 LEU 80 14.993 -9.416 -4.582 591 HD21 LEU 80 HD21 LEU 80 17.313 -6.949 -3.150 592 HD22 LEU 80 HD22 LEU 80 15.736 -6.567 -3.846 593 HD23 LEU 80 HD23 LEU 80 16.785 -7.739 -4.632 594 H ALA 81 H ALA 81 16.179 -8.500 1.405 595 HA ALA 81 HA ALA 81 14.274 -7.132 2.866 596 HB1 ALA 81 HB1 ALA 81 15.268 -9.251 3.611 597 HB2 ALA 81 HB2 ALA 81 15.284 -8.045 4.898 598 HB3 ALA 81 HB3 ALA 81 16.763 -8.405 4.009 599 H ALA 82 H ALA 82 17.804 -6.453 2.851 600 HA ALA 82 HA ALA 82 17.432 -4.038 4.414 601 HB1 ALA 82 HB1 ALA 82 19.906 -5.074 3.039 602 HB2 ALA 82 HB2 ALA 82 19.455 -5.413 4.713 603 HB3 ALA 82 HB3 ALA 82 19.838 -3.763 4.212 604 H TRP 83 H TRP 83 17.720 -4.899 1.056 605 HA TRP 83 HA TRP 83 18.357 -2.264 0.209 606 HB2 TRP 83 HB2 TRP 83 17.163 -4.522 -1.415 607 HB3 TRP 83 HB3 TRP 83 17.688 -2.990 -2.081 608 HD1 TRP 83 HD1 TRP 83 20.179 -4.005 0.455 609 HE1 TRP 83 HE1 TRP 83 22.181 -5.154 -0.615 610 HE3 TRP 83 HE3 TRP 83 18.253 -4.672 -4.203 611 HZ2 TRP 83 HZ2 TRP 83 22.873 -6.233 -3.173 612 HZ3 TRP 83 HZ3 TRP 83 19.642 -5.776 -5.923 613 HH2 TRP 83 HH2 TRP 83 21.905 -6.529 -5.413 614 H ASN 84 H ASN 84 15.418 -3.850 1.025 615 HA ASN 84 HA ASN 84 13.583 -2.077 -0.163 616 HB2 ASN 84 HB2 ASN 84 13.043 -4.259 1.089 617 HB3 ASN 84 HB3 ASN 84 13.268 -3.369 2.584 618 HD21 ASN 84 HD21 ASN 84 10.901 -4.754 1.550 619 HD22 ASN 84 HD22 ASN 84 9.630 -3.600 1.484 620 H GLN 85 H GLN 85 15.570 -1.839 2.757 621 HA GLN 85 HA GLN 85 14.476 0.635 3.608 622 HB2 GLN 85 HB2 GLN 85 17.148 -0.637 4.239 623 HB3 GLN 85 HB3 GLN 85 16.679 0.927 4.885 624 HG2 GLN 85 HG2 GLN 85 16.266 -0.613 6.599 625 HG3 GLN 85 HG3 GLN 85 14.683 -0.294 5.902 626 HE21 GLN 85 HE21 GLN 85 13.634 -1.954 4.770 627 HE22 GLN 85 HE22 GLN 85 14.253 -3.579 4.815 628 H LEU 86 H LEU 86 17.055 -0.252 1.416 629 HA LEU 86 HA LEU 86 18.063 2.318 0.880 630 HB2 LEU 86 HB2 LEU 86 17.904 -0.157 -0.804 631 HB3 LEU 86 HB3 LEU 86 18.626 1.319 -1.402 632 HG LEU 86 HG LEU 86 19.608 -0.088 1.084 633 HD11 LEU 86 HD11 LEU 86 20.635 -0.195 -1.744 634 HD12 LEU 86 HD12 LEU 86 19.807 -1.520 -0.923 635 HD13 LEU 86 HD13 LEU 86 21.377 -0.959 -0.334 636 HD21 LEU 86 HD21 LEU 86 21.551 1.275 0.733 637 HD22 LEU 86 HD22 LEU 86 20.133 2.334 0.796 638 HD23 LEU 86 HD23 LEU 86 20.871 1.905 -0.755 639 H MET 87 H MET 87 15.292 0.614 -0.270 640 HA MET 87 HA MET 87 14.632 2.330 -2.437 641 HB2 MET 87 HB2 MET 87 12.686 0.623 -0.882 642 HB3 MET 87 HB3 MET 87 12.542 1.157 -2.546 643 HG2 MET 87 HG2 MET 87 14.572 -0.797 -1.491 644 HG3 MET 87 HG3 MET 87 13.097 -1.221 -2.350 645 HE1 MET 87 HE1 MET 87 12.948 0.837 -4.669 646 HE2 MET 87 HE2 MET 87 12.698 -0.892 -4.685 647 HE3 MET 87 HE3 MET 87 13.738 -0.149 -5.921 648 H LEU 88 H LEU 88 13.010 1.900 0.705 649 HA LEU 88 HA LEU 88 11.821 4.431 0.164 650 HB2 LEU 88 HB2 LEU 88 10.264 3.846 2.093 651 HB3 LEU 88 HB3 LEU 88 10.131 3.145 0.494 652 HG LEU 88 HG LEU 88 11.511 1.230 1.456 653 HD11 LEU 88 HD11 LEU 88 11.273 0.861 3.831 654 HD12 LEU 88 HD12 LEU 88 10.460 2.435 3.978 655 HD13 LEU 88 HD13 LEU 88 12.143 2.362 3.453 656 HD21 LEU 88 HD21 LEU 88 9.315 1.140 0.684 657 HD22 LEU 88 HD22 LEU 88 8.679 1.795 2.195 658 HD23 LEU 88 HD23 LEU 88 9.421 0.166 2.164 659 H SER 89 H SER 89 14.186 3.387 2.288 660 HA SER 89 HA SER 89 13.974 5.940 3.772 661 HB2 SER 89 HB2 SER 89 15.521 3.456 4.524 662 HB3 SER 89 HB3 SER 89 15.279 4.893 5.522 663 HG SER 89 HG SER 89 12.901 4.252 4.938 664 H ARG 90 H ARG 90 15.878 4.217 1.460 665 HA ARG 90 HA ARG 90 17.782 4.464 0.449 666 HB2 ARG 90 HB2 ARG 90 17.318 7.289 1.258 667 HB3 ARG 90 HB3 ARG 90 18.853 6.845 0.517 668 HG2 ARG 90 HG2 ARG 90 17.437 7.557 -1.232 669 HG3 ARG 90 HG3 ARG 90 17.603 5.783 -1.249 670 HD2 ARG 90 HD2 ARG 90 15.297 6.531 -1.740 671 HD3 ARG 90 HD3 ARG 90 15.427 5.505 -0.316 672 HE ARG 90 HE ARG 90 15.619 8.080 0.577 673 HH11 ARG 90 HH11 ARG 90 13.205 6.086 -1.078 674 HH12 ARG 90 HH12 ARG 90 11.854 6.926 -0.498 675 HH21 ARG 90 HH21 ARG 90 13.738 9.259 1.446 676 HH22 ARG 90 HH22 ARG 90 12.167 8.776 1.008 677 H SER 91 H SER 91 17.642 3.709 3.025 678 HA SER 91 HA SER 91 18.817 3.388 5.039 679 HB2 SER 91 HB2 SER 91 20.774 2.457 2.937 680 HB3 SER 91 HB3 SER 91 20.745 1.934 4.622 681 HG SER 91 HG SER 91 19.656 0.457 3.381 682 HA PRO 92 HA PRO 92 21.254 7.330 5.132 683 HB2 PRO 92 HB2 PRO 92 19.968 7.136 7.824 684 HB3 PRO 92 HB3 PRO 92 20.252 8.578 6.811 685 HG2 PRO 92 HG2 PRO 92 17.874 7.731 6.694 686 HG3 PRO 92 HG3 PRO 92 18.859 7.841 5.181 687 HD2 PRO 92 HD2 PRO 92 18.404 5.340 6.772 688 HD3 PRO 92 HD3 PRO 92 17.950 5.656 5.076 689 H GLU 93 H GLU 93 23.115 6.596 5.130 690 HA GLU 93 HA GLU 93 24.480 6.113 7.697 691 HB2 GLU 93 HB2 GLU 93 25.289 4.902 5.061 692 HB3 GLU 93 HB3 GLU 93 26.131 4.678 6.577 693 HG2 GLU 93 HG2 GLU 93 24.207 3.311 7.341 694 HG3 GLU 93 HG3 GLU 93 23.472 3.525 5.746 Start of MODEL 3 1 H ASP 14 HT1 ASP 14 0.716 5.013 -0.795 2 HA ASP 14 HA ASP 14 1.661 4.182 1.831 3 HB2 ASP 14 HB2 ASP 14 1.935 2.061 0.636 4 HB3 ASP 14 HB3 ASP 14 0.265 2.594 0.438 5 H ASN 15 H ASN 15 3.849 2.815 0.654 6 HA ASN 15 HA ASN 15 5.319 5.090 -0.465 7 HB2 ASN 15 HB2 ASN 15 6.139 4.074 1.755 8 HB3 ASN 15 HB3 ASN 15 6.511 2.620 0.845 9 HD21 ASN 15 HD21 ASN 15 8.240 4.371 2.353 10 HD22 ASN 15 HD22 ASN 15 9.495 4.897 1.330 11 H ARG 16 H ARG 16 4.858 4.909 -2.441 12 HA ARG 16 HA ARG 16 4.254 2.762 -4.022 13 HB2 ARG 16 HB2 ARG 16 5.540 5.359 -4.809 14 HB3 ARG 16 HB3 ARG 16 4.797 4.232 -5.931 15 HG2 ARG 16 HG2 ARG 16 3.312 5.403 -3.620 16 HG3 ARG 16 HG3 ARG 16 3.407 6.244 -5.170 17 HD2 ARG 16 HD2 ARG 16 1.327 5.000 -5.120 18 HD3 ARG 16 HD3 ARG 16 2.410 4.211 -6.258 19 HE ARG 16 HE ARG 16 1.955 3.249 -3.504 20 HH11 ARG 16 HH11 ARG 16 2.137 2.551 -6.974 21 HH12 ARG 16 HH12 ARG 16 2.025 0.860 -6.777 22 HH21 ARG 16 HH21 ARG 16 1.859 1.066 -3.232 23 HH22 ARG 16 HH22 ARG 16 1.832 -0.071 -4.516 24 H HIS 17 H HIS 17 7.455 3.973 -3.313 25 HA HIS 17 HA HIS 17 8.671 2.487 -5.389 26 HB2 HIS 17 HB2 HIS 17 9.822 4.088 -3.144 27 HB3 HIS 17 HB3 HIS 17 10.860 3.062 -4.135 28 HD1 HIS 17 HD1 HIS 17 10.366 6.443 -4.036 29 HD2 HIS 17 HD2 HIS 17 9.682 3.653 -7.049 30 HE1 HIS 17 HE1 HIS 17 10.410 7.720 -6.206 31 H ALA 18 H ALA 18 7.673 1.543 -2.306 32 HA ALA 18 HA ALA 18 9.513 -0.650 -2.246 33 HB1 ALA 18 HB1 ALA 18 8.313 -1.451 -0.363 34 HB2 ALA 18 HB2 ALA 18 7.044 -0.210 -0.588 35 HB3 ALA 18 HB3 ALA 18 8.728 0.251 -0.209 36 H ALA 19 H ALA 19 6.635 0.028 -3.860 37 HA ALA 19 HA ALA 19 5.922 -2.753 -4.328 38 HB1 ALA 19 HB1 ALA 19 4.264 -1.828 -5.889 39 HB2 ALA 19 HB2 ALA 19 4.961 -0.220 -5.684 40 HB3 ALA 19 HB3 ALA 19 4.166 -1.015 -4.325 41 H ASP 20 H ASP 20 8.034 -0.381 -5.573 42 HA ASP 20 HA ASP 20 8.414 -1.364 -8.209 43 HB2 ASP 20 HB2 ASP 20 8.976 0.923 -7.552 44 HB3 ASP 20 HB3 ASP 20 10.143 0.328 -6.387 45 H TYR 21 H TYR 21 9.469 -2.196 -5.132 46 HA TYR 21 HA TYR 21 11.779 -3.889 -5.353 47 HB2 TYR 21 HB2 TYR 21 10.815 -3.061 -3.278 48 HB3 TYR 21 HB3 TYR 21 9.336 -3.943 -3.594 49 HD1 TYR 21 HD2 TYR 21 12.969 -4.485 -3.174 50 HD2 TYR 21 HD1 TYR 21 9.042 -5.967 -2.586 51 HE1 TYR 21 HE2 TYR 21 13.875 -6.305 -1.906 52 HE2 TYR 21 HE1 TYR 21 9.922 -7.834 -1.273 53 HH TYR 21 HH TYR 21 13.027 -7.842 -0.082 54 H GLN 22 H GLN 22 8.436 -4.465 -6.086 55 HA GLN 22 HA GLN 22 8.585 -7.288 -6.373 56 HB2 GLN 22 HB2 GLN 22 6.505 -5.900 -6.113 57 HB3 GLN 22 HB3 GLN 22 6.771 -5.248 -7.706 58 HG2 GLN 22 HG2 GLN 22 6.176 -8.151 -7.131 59 HG3 GLN 22 HG3 GLN 22 4.962 -6.936 -7.507 60 HE21 GLN 22 HE21 GLN 22 7.393 -9.040 -8.766 61 HE22 GLN 22 HE22 GLN 22 7.092 -8.710 -10.428 62 H GLN 23 H GLN 23 8.976 -4.526 -8.544 63 HA GLN 23 HA GLN 23 9.329 -6.032 -10.900 64 HB2 GLN 23 HB2 GLN 23 8.487 -3.692 -10.782 65 HB3 GLN 23 HB3 GLN 23 10.079 -3.174 -10.271 66 HG2 GLN 23 HG2 GLN 23 9.724 -2.697 -12.611 67 HG3 GLN 23 HG3 GLN 23 11.005 -3.887 -12.407 68 HE21 GLN 23 HE21 GLN 23 7.598 -4.693 -12.138 69 HE22 GLN 23 HE22 GLN 23 7.530 -5.633 -13.577 70 H LEU 24 H LEU 24 11.439 -4.809 -8.414 71 HA LEU 24 HA LEU 24 13.926 -5.304 -9.745 72 HB2 LEU 24 HB2 LEU 24 13.429 -3.890 -7.593 73 HB3 LEU 24 HB3 LEU 24 13.498 -5.404 -6.739 74 HG LEU 24 HG LEU 24 15.787 -4.112 -8.244 75 HD11 LEU 24 HD11 LEU 24 15.223 -2.945 -6.219 76 HD12 LEU 24 HD12 LEU 24 16.752 -3.803 -6.027 77 HD13 LEU 24 HD13 LEU 24 15.281 -4.452 -5.306 78 HD21 LEU 24 HD21 LEU 24 15.799 -6.610 -6.537 79 HD22 LEU 24 HD22 LEU 24 17.219 -5.834 -7.241 80 HD23 LEU 24 HD23 LEU 24 16.002 -6.564 -8.288 81 H ARG 25 H ARG 25 12.094 -7.126 -7.231 82 HA ARG 25 HA ARG 25 13.729 -9.215 -6.796 83 HB2 ARG 25 HB2 ARG 25 11.777 -8.466 -5.515 84 HB3 ARG 25 HB3 ARG 25 10.736 -9.108 -6.774 85 HG2 ARG 25 HG2 ARG 25 11.696 -11.296 -6.393 86 HG3 ARG 25 HG3 ARG 25 12.626 -10.587 -5.051 87 HD2 ARG 25 HD2 ARG 25 10.527 -9.892 -3.985 88 HD3 ARG 25 HD3 ARG 25 9.616 -10.648 -5.286 89 HE ARG 25 HE ARG 25 11.231 -12.097 -3.272 90 HH11 ARG 25 HH11 ARG 25 8.872 -12.264 -5.864 91 HH12 ARG 25 HH12 ARG 25 8.020 -13.581 -5.221 92 HH21 ARG 25 HH21 ARG 25 10.303 -13.880 -2.452 93 HH22 ARG 25 HH22 ARG 25 8.906 -14.623 -3.101 94 H GLU 26 H GLU 26 10.837 -9.232 -8.878 95 HA GLU 26 HA GLU 26 11.228 -11.836 -9.728 96 HB2 GLU 26 HB2 GLU 26 9.436 -9.653 -10.546 97 HB3 GLU 26 HB3 GLU 26 9.602 -11.032 -11.626 98 HG2 GLU 26 HG2 GLU 26 7.737 -11.272 -10.099 99 HG3 GLU 26 HG3 GLU 26 8.917 -12.550 -9.892 100 H ARG 27 H ARG 27 12.677 -8.963 -10.940 101 HA ARG 27 HA ARG 27 13.318 -10.009 -13.543 102 HB2 ARG 27 HB2 ARG 27 14.482 -7.740 -12.005 103 HB3 ARG 27 HB3 ARG 27 15.041 -8.225 -13.601 104 HG2 ARG 27 HG2 ARG 27 12.750 -7.893 -14.446 105 HG3 ARG 27 HG3 ARG 27 12.308 -7.257 -12.855 106 HD2 ARG 27 HD2 ARG 27 14.141 -5.646 -13.063 107 HD3 ARG 27 HD3 ARG 27 14.394 -6.262 -14.704 108 HE ARG 27 HE ARG 27 11.773 -5.584 -14.629 109 HH11 ARG 27 HH11 ARG 27 14.727 -3.816 -13.963 110 HH12 ARG 27 HH12 ARG 27 14.137 -2.279 -14.397 111 HH21 ARG 27 HH21 ARG 27 10.917 -3.574 -15.288 112 HH22 ARG 27 HH22 ARG 27 11.834 -2.129 -15.252 113 H LEU 28 H LEU 28 14.744 -10.218 -10.424 114 HA LEU 28 HA LEU 28 17.352 -11.043 -11.234 115 HB2 LEU 28 HB2 LEU 28 15.853 -11.826 -8.730 116 HB3 LEU 28 HB3 LEU 28 17.586 -11.878 -8.968 117 HG LEU 28 HG LEU 28 15.877 -9.407 -8.772 118 HD11 LEU 28 HD11 LEU 28 16.218 -10.524 -6.661 119 HD12 LEU 28 HD12 LEU 28 17.120 -9.005 -6.728 120 HD13 LEU 28 HD13 LEU 28 17.963 -10.545 -6.931 121 HD21 LEU 28 HD21 LEU 28 17.660 -9.122 -10.349 122 HD22 LEU 28 HD22 LEU 28 18.851 -9.675 -9.169 123 HD23 LEU 28 HD23 LEU 28 17.966 -8.162 -8.910 124 H ILE 29 H ILE 29 14.352 -12.513 -10.561 125 HA ILE 29 HA ILE 29 15.009 -15.230 -10.475 126 HB ILE 29 HB ILE 29 12.413 -13.896 -11.324 127 HG12 ILE 29 HG12 ILE 29 13.065 -12.982 -9.239 128 HG13 ILE 29 HG11 ILE 29 11.807 -14.174 -8.918 129 HG21 ILE 29 HG21 ILE 29 12.844 -16.583 -10.073 130 HG22 ILE 29 HG22 ILE 29 12.457 -16.315 -11.782 131 HG23 ILE 29 HG23 ILE 29 11.291 -15.877 -10.519 132 HD11 ILE 29 HD11 ILE 29 13.613 -14.286 -7.305 133 HD12 ILE 29 HD12 ILE 29 14.752 -14.603 -8.632 134 HD13 ILE 29 HD13 ILE 29 13.492 -15.777 -8.259 135 H GLN 30 H GLN 30 14.439 -13.065 -13.094 136 HA GLN 30 HA GLN 30 13.915 -15.013 -15.097 137 HB2 GLN 30 HB2 GLN 30 15.014 -12.254 -15.545 138 HB3 GLN 30 HB3 GLN 30 14.023 -13.230 -16.628 139 HG2 GLN 30 HG2 GLN 30 12.173 -13.066 -14.947 140 HG3 GLN 30 HG3 GLN 30 13.207 -11.972 -14.046 141 HE21 GLN 30 HE21 GLN 30 11.332 -12.341 -16.957 142 HE22 GLN 30 HE22 GLN 30 11.295 -10.656 -17.362 143 H GLU 31 H GLU 31 16.772 -13.253 -14.012 144 HA GLU 31 HA GLU 31 18.438 -14.537 -15.993 145 HB2 GLU 31 HB2 GLU 31 19.237 -12.763 -13.681 146 HB3 GLU 31 HB3 GLU 31 20.295 -13.291 -14.984 147 HG2 GLU 31 HG2 GLU 31 18.707 -12.169 -16.569 148 HG3 GLU 31 HG3 GLU 31 17.928 -11.519 -15.115 149 H LEU 32 H LEU 32 17.566 -15.023 -12.680 150 HA LEU 32 HA LEU 32 19.758 -16.727 -12.182 151 HB2 LEU 32 HB2 LEU 32 17.278 -16.239 -10.531 152 HB3 LEU 32 HB3 LEU 32 18.682 -17.156 -10.023 153 HG LEU 32 HG LEU 32 18.455 -14.280 -10.638 154 HD11 LEU 32 HD11 LEU 32 19.272 -13.967 -8.320 155 HD12 LEU 32 HD12 LEU 32 19.178 -15.716 -8.105 156 HD13 LEU 32 HD13 LEU 32 17.711 -14.783 -8.441 157 HD21 LEU 32 HD21 LEU 32 20.892 -14.085 -9.977 158 HD22 LEU 32 HD22 LEU 32 20.525 -14.765 -11.546 159 HD23 LEU 32 HD23 LEU 32 20.990 -15.835 -10.210 160 H ASN 33 H ASN 33 16.672 -17.065 -13.506 161 HA ASN 33 HA ASN 33 15.352 -18.603 -14.287 162 HB2 ASN 33 HB2 ASN 33 16.209 -20.179 -15.784 163 HB3 ASN 33 HB3 ASN 33 17.574 -19.114 -15.593 164 HD21 ASN 33 HD21 ASN 33 18.480 -20.377 -13.041 165 HD22 ASN 33 HD22 ASN 33 19.068 -21.937 -13.509 166 H LEU 34 H LEU 34 15.779 -18.606 -11.511 167 HA LEU 34 HA LEU 34 14.620 -21.175 -10.878 168 HB2 LEU 34 HB2 LEU 34 15.950 -21.193 -8.740 169 HB3 LEU 34 HB3 LEU 34 16.814 -21.508 -10.233 170 HG LEU 34 HG LEU 34 17.703 -19.204 -10.178 171 HD11 LEU 34 HD11 LEU 34 16.032 -18.127 -8.854 172 HD12 LEU 34 HD12 LEU 34 17.627 -17.916 -8.118 173 HD13 LEU 34 HD13 LEU 34 16.476 -19.085 -7.443 174 HD21 LEU 34 HD21 LEU 34 19.333 -19.646 -8.417 175 HD22 LEU 34 HD22 LEU 34 18.976 -21.073 -9.405 176 HD23 LEU 34 HD23 LEU 34 18.275 -20.921 -7.795 177 H THR 35 H THR 35 13.597 -20.992 -8.517 178 HA THR 35 HA THR 35 11.912 -18.695 -8.803 179 HB THR 35 HB THR 35 10.685 -19.837 -6.851 180 HG1 THR 35 HG1 THR 35 11.560 -22.276 -7.226 181 HG21 THR 35 HG21 THR 35 11.062 -21.379 -9.426 182 HG22 THR 35 HG22 THR 35 9.937 -20.043 -9.181 183 HG23 THR 35 HG23 THR 35 9.707 -21.561 -8.312 184 HA PRO 36 HA PRO 36 13.642 -16.001 -5.858 185 HB2 PRO 36 HB2 PRO 36 11.150 -16.012 -4.224 186 HB3 PRO 36 HB3 PRO 36 12.011 -14.640 -4.947 187 HG2 PRO 36 HG2 PRO 36 9.774 -15.495 -6.021 188 HG3 PRO 36 HG3 PRO 36 11.137 -14.982 -7.036 189 HD2 PRO 36 HD2 PRO 36 10.184 -17.732 -6.429 190 HD3 PRO 36 HD3 PRO 36 10.839 -17.063 -7.938 191 H GLN 37 H GLN 37 12.168 -18.742 -4.618 192 HA GLN 37 HA GLN 37 13.537 -18.646 -2.030 193 HB2 GLN 37 HB2 GLN 37 11.159 -20.223 -2.940 194 HB3 GLN 37 HB3 GLN 37 12.070 -20.728 -1.523 195 HG2 GLN 37 HG2 GLN 37 10.821 -18.004 -1.871 196 HG3 GLN 37 HG3 GLN 37 10.097 -19.339 -0.971 197 HE21 GLN 37 HE21 GLN 37 12.540 -16.849 -0.947 198 HE22 GLN 37 HE22 GLN 37 13.106 -17.110 0.649 199 H GLN 38 H GLN 38 14.243 -19.749 -4.979 200 HA GLN 38 HA GLN 38 16.033 -21.791 -3.863 201 HB2 GLN 38 HB2 GLN 38 15.165 -21.217 -6.718 202 HB3 GLN 38 HB3 GLN 38 16.436 -22.364 -6.303 203 HG2 GLN 38 HG2 GLN 38 13.578 -22.555 -5.380 204 HG3 GLN 38 HG3 GLN 38 14.253 -23.427 -6.754 205 HE21 GLN 38 HE21 GLN 38 14.305 -23.111 -3.245 206 HE22 GLN 38 HE22 GLN 38 15.031 -24.654 -2.978 207 H LEU 39 H LEU 39 15.754 -18.885 -3.889 208 HA LEU 39 HA LEU 39 18.385 -18.062 -4.750 209 HB2 LEU 39 HB2 LEU 39 17.078 -16.895 -6.276 210 HB3 LEU 39 HB3 LEU 39 15.664 -16.937 -5.253 211 HG LEU 39 HG LEU 39 16.592 -15.240 -3.890 212 HD11 LEU 39 HD11 LEU 39 18.506 -13.806 -4.807 213 HD12 LEU 39 HD12 LEU 39 18.776 -15.053 -6.030 214 HD13 LEU 39 HD13 LEU 39 19.004 -15.418 -4.317 215 HD21 LEU 39 HD21 LEU 39 15.050 -14.528 -5.516 216 HD22 LEU 39 HD22 LEU 39 16.282 -14.510 -6.781 217 HD23 LEU 39 HD23 LEU 39 16.338 -13.322 -5.479 218 H HIS 40 H HIS 40 19.332 -16.730 -3.210 219 HA HIS 40 HA HIS 40 18.348 -16.767 -0.544 220 HB2 HIS 40 HB2 HIS 40 20.729 -15.597 -1.973 221 HB3 HIS 40 HB3 HIS 40 20.572 -15.478 -0.252 222 HD1 HIS 40 HD1 HIS 40 21.950 -17.618 -2.910 223 HD2 HIS 40 HD2 HIS 40 20.705 -18.136 1.027 224 HE1 HIS 40 HE1 HIS 40 22.943 -19.780 -2.143 225 H GLU 41 H GLU 41 16.363 -15.466 -1.121 226 HA GLU 41 HA GLU 41 16.888 -12.801 -2.153 227 HB2 GLU 41 HB2 GLU 41 14.452 -12.443 -2.130 228 HB3 GLU 41 HB3 GLU 41 14.865 -13.926 -2.967 229 HG2 GLU 41 HG2 GLU 41 14.158 -15.230 -1.038 230 HG3 GLU 41 HG3 GLU 41 13.817 -13.749 -0.145 231 H GLU 42 H GLU 42 16.098 -14.344 0.759 232 HA GLU 42 HA GLU 42 16.015 -11.850 2.262 233 HB2 GLU 42 HB2 GLU 42 15.249 -13.220 4.134 234 HB3 GLU 42 HB3 GLU 42 14.276 -13.581 2.725 235 HG2 GLU 42 HG2 GLU 42 16.508 -15.286 3.843 236 HG3 GLU 42 HG3 GLU 42 14.783 -15.608 3.992 237 H SER 43 H SER 43 17.957 -14.470 1.374 238 HA SER 43 HA SER 43 19.940 -13.977 3.409 239 HB2 SER 43 HB2 SER 43 19.678 -16.045 1.236 240 HB3 SER 43 HB3 SER 43 20.905 -16.069 2.521 241 HG SER 43 HG SER 43 18.120 -16.444 2.598 242 H ASN 44 H ASN 44 22.247 -13.999 2.451 243 HA ASN 44 HA ASN 44 22.687 -11.719 0.919 244 HB2 ASN 44 HB2 ASN 44 24.500 -14.077 1.379 245 HB3 ASN 44 HB3 ASN 44 25.013 -12.596 0.585 246 HD21 ASN 44 HD21 ASN 44 25.773 -13.953 3.119 247 HD22 ASN 44 HD22 ASN 44 25.640 -12.705 4.316 248 H LEU 45 H LEU 45 22.256 -11.266 -0.993 249 HA LEU 45 HA LEU 45 21.555 -13.037 -3.029 250 HB2 LEU 45 HB2 LEU 45 22.393 -10.146 -3.202 251 HB3 LEU 45 HB3 LEU 45 21.765 -11.053 -4.559 252 HG LEU 45 HG LEU 45 20.217 -10.505 -2.017 253 HD11 LEU 45 HD11 LEU 45 20.042 -9.232 -4.737 254 HD12 LEU 45 HD12 LEU 45 20.636 -8.444 -3.268 255 HD13 LEU 45 HD13 LEU 45 18.945 -8.947 -3.392 256 HD21 LEU 45 HD21 LEU 45 18.304 -11.227 -3.356 257 HD22 LEU 45 HD22 LEU 45 19.487 -12.508 -3.141 258 HD23 LEU 45 HD23 LEU 45 19.394 -11.644 -4.681 259 H ILE 46 H ILE 46 24.641 -11.871 -2.061 260 HA ILE 46 HA ILE 46 26.024 -12.351 -4.533 261 HB ILE 46 HB ILE 46 27.306 -12.226 -1.762 262 HG12 ILE 46 HG12 ILE 46 25.852 -10.252 -2.082 263 HG13 ILE 46 HG11 ILE 46 27.553 -9.817 -2.036 264 HG21 ILE 46 HG21 ILE 46 28.364 -11.546 -4.515 265 HG22 ILE 46 HG22 ILE 46 28.867 -12.915 -3.516 266 HG23 ILE 46 HG23 ILE 46 29.221 -11.254 -3.011 267 HD11 ILE 46 HD11 ILE 46 27.560 -9.588 -4.464 268 HD12 ILE 46 HD12 ILE 46 26.316 -8.564 -3.733 269 HD13 ILE 46 HD13 ILE 46 25.873 -10.093 -4.503 270 H GLN 47 H GLN 47 24.726 -14.370 -2.186 271 HA GLN 47 HA GLN 47 26.563 -16.576 -2.603 272 HB2 GLN 47 HB2 GLN 47 23.991 -16.357 -1.066 273 HB3 GLN 47 HB3 GLN 47 24.954 -17.826 -1.143 274 HG2 GLN 47 HG2 GLN 47 26.791 -16.718 -0.030 275 HG3 GLN 47 HG3 GLN 47 25.918 -15.190 -0.050 276 HE21 GLN 47 HE21 GLN 47 24.306 -18.229 0.636 277 HE22 GLN 47 HE22 GLN 47 24.048 -17.910 2.305 278 H ALA 48 H ALA 48 24.113 -15.167 -4.230 279 HA ALA 48 HA ALA 48 23.331 -17.624 -5.627 280 HB1 ALA 48 HB1 ALA 48 21.398 -16.428 -4.675 281 HB2 ALA 48 HB2 ALA 48 21.385 -16.300 -6.435 282 HB3 ALA 48 HB3 ALA 48 21.927 -14.938 -5.455 283 H GLY 49 H GLY 49 22.741 -16.651 -8.130 284 HA2 GLY 49 HA2 GLY 49 25.390 -15.808 -8.926 285 HA3 GLY 49 HA3 GLY 49 24.057 -16.218 -10.001 286 H LEU 50 H LEU 50 25.422 -13.733 -7.994 287 HA LEU 50 HA LEU 50 24.109 -11.775 -9.672 288 HB2 LEU 50 HB2 LEU 50 22.933 -11.873 -7.571 289 HB3 LEU 50 HB3 LEU 50 24.430 -11.663 -6.662 290 HG LEU 50 HG LEU 50 24.580 -9.571 -8.229 291 HD11 LEU 50 HD11 LEU 50 21.614 -9.881 -7.897 292 HD12 LEU 50 HD12 LEU 50 22.533 -9.919 -9.398 293 HD13 LEU 50 HD13 LEU 50 22.425 -8.420 -8.470 294 HD21 LEU 50 HD21 LEU 50 24.841 -9.271 -5.923 295 HD22 LEU 50 HD22 LEU 50 23.168 -9.706 -5.574 296 HD23 LEU 50 HD23 LEU 50 23.542 -8.176 -6.371 297 H ASP 51 H ASP 51 25.872 -11.374 -10.810 298 HA ASP 51 HA ASP 51 28.386 -10.807 -9.533 299 HB2 ASP 51 HB2 ASP 51 29.129 -10.340 -11.909 300 HB3 ASP 51 HB3 ASP 51 28.507 -11.964 -11.654 301 H 4HJ 52 H 4HJ 52 29.168 -8.621 -11.276 302 HA 4HJ 52 HA 4HJ 52 27.797 -6.677 -9.663 303 HAA 4HJ 52 HAA 4HJ 52 28.303 -9.011 -7.582 304 HB3 4HJ 52 HB3 4HJ 52 29.773 -5.223 -10.231 305 HB2 4HJ 52 HB2 4HJ 52 30.219 -6.729 -9.422 306 HZ1 4HJ 52 HZ1 4HJ 52 28.930 -11.202 -6.707 307 HZ2 4HJ 52 HZ2 4HJ 52 29.904 -7.129 -7.534 308 HZ 4HJ 52 HZ 4HJ 52 32.096 -11.735 -5.140 309 HJ2 4HJ 52 HJ2 4HJ 52 32.998 -3.990 -11.912 310 HJ3 4HJ 52 HJ3 4HJ 52 31.362 -3.624 -11.431 311 HL12 4HJ 52 HL12 4HJ 52 33.121 -4.094 -8.414 312 HL11 4HJ 52 HL11 4HJ 52 34.214 -2.743 -8.335 313 HL13 4HJ 52 HL13 4HJ 52 34.522 -4.152 -9.421 314 HL22 4HJ 52 HL22 4HJ 52 31.021 -1.878 -10.087 315 HL21 4HJ 52 HL21 4HJ 52 32.110 -1.398 -8.718 316 HL23 4HJ 52 HL23 4HJ 52 31.360 -2.972 -8.782 317 HM 4HJ 52 HM 4HJ 52 35.020 -0.409 -10.587 318 HN 4HJ 52 HN 4HJ 52 34.684 -3.996 -12.763 319 HL3 4HJ 52 HL3 4HJ 52 33.087 -1.201 -11.604 320 HO2 4HJ 52 HO2 4HJ 52 37.121 -4.360 -11.707 321 HO3 4HJ 52 HO3 4HJ 52 36.205 -3.809 -10.289 322 HP2 4HJ 52 HP2 4HJ 52 35.677 -6.305 -11.764 323 HP3 4HJ 52 HP3 4HJ 52 34.536 -5.622 -10.661 324 HS2 4HJ 52 HS2 4HJ 52 36.072 -9.044 -9.020 325 HS3 4HJ 52 HS3 4HJ 52 34.737 -8.486 -10.105 326 HT3 4HJ 52 HT3 4HJ 52 33.244 -8.251 -8.260 327 HT2 4HJ 52 HT2 4HJ 52 33.799 -9.890 -8.486 328 HY2 4HJ 52 HY2 4HJ 52 32.182 -7.451 -6.646 329 HR 4HJ 52 HR 4HJ 52 35.085 -6.575 -8.190 330 H ILE 53 H ILE 53 27.845 -7.863 -12.795 331 HA ILE 53 HA ILE 53 27.168 -5.317 -13.843 332 HB ILE 53 HB ILE 53 28.300 -7.475 -14.994 333 HG12 ILE 53 HG12 ILE 53 28.539 -5.339 -15.879 334 HG13 ILE 53 HG11 ILE 53 27.829 -6.349 -17.143 335 HG21 ILE 53 HG21 ILE 53 26.258 -8.823 -15.114 336 HG22 ILE 53 HG22 ILE 53 26.766 -8.370 -16.743 337 HG23 ILE 53 HG23 ILE 53 25.427 -7.523 -15.969 338 HD11 ILE 53 HD11 ILE 53 26.435 -4.321 -15.414 339 HD12 ILE 53 HD12 ILE 53 25.604 -5.447 -16.432 340 HD13 ILE 53 HD13 ILE 53 26.671 -4.206 -17.174 341 H ARG 54 H ARG 54 25.690 -8.157 -12.691 342 HA ARG 54 HA ARG 54 23.021 -7.314 -13.257 343 HB2 ARG 54 HB2 ARG 54 24.201 -9.260 -11.298 344 HB3 ARG 54 HB3 ARG 54 22.538 -8.729 -11.099 345 HG2 ARG 54 HG2 ARG 54 22.631 -10.834 -12.284 346 HG3 ARG 54 HG3 ARG 54 21.992 -9.563 -13.316 347 HD2 ARG 54 HD2 ARG 54 24.263 -9.338 -14.320 348 HD3 ARG 54 HD3 ARG 54 24.762 -10.754 -13.383 349 HE ARG 54 HE ARG 54 22.398 -10.995 -15.085 350 HH11 ARG 54 HH11 ARG 54 25.774 -11.959 -14.562 351 HH12 ARG 54 HH12 ARG 54 25.775 -13.093 -15.810 352 HH21 ARG 54 HH21 ARG 54 22.351 -12.443 -16.683 353 HH22 ARG 54 HH22 ARG 54 23.695 -13.431 -17.110 354 H LEU 55 H LEU 55 25.149 -7.034 -10.480 355 HA LEU 55 HA LEU 55 23.505 -5.586 -8.791 356 HB2 LEU 55 HB2 LEU 55 25.659 -6.716 -8.252 357 HB3 LEU 55 HB3 LEU 55 26.471 -5.394 -9.060 358 HG LEU 55 HG LEU 55 25.600 -3.833 -7.352 359 HD11 LEU 55 HD11 LEU 55 23.611 -5.080 -6.631 360 HD12 LEU 55 HD12 LEU 55 24.722 -4.757 -5.283 361 HD13 LEU 55 HD13 LEU 55 24.671 -6.352 -6.001 362 HD21 LEU 55 HD21 LEU 55 27.106 -6.192 -6.302 363 HD22 LEU 55 HD22 LEU 55 27.088 -4.569 -5.614 364 HD23 LEU 55 HD23 LEU 55 27.798 -4.853 -7.202 365 H MET 56 H MET 56 26.007 -4.257 -11.097 366 HA MET 56 HA MET 56 25.444 -1.577 -10.454 367 HB2 MET 56 HB2 MET 56 26.890 -2.877 -12.711 368 HB3 MET 56 HB3 MET 56 26.403 -1.201 -12.884 369 HG2 MET 56 HG2 MET 56 28.719 -1.389 -12.173 370 HG3 MET 56 HG3 MET 56 27.745 -0.573 -10.971 371 HE1 MET 56 HE1 MET 56 27.641 -1.270 -8.539 372 HE2 MET 56 HE2 MET 56 27.919 -2.891 -7.913 373 HE3 MET 56 HE3 MET 56 26.544 -2.580 -8.972 374 H ARG 57 H ARG 57 23.882 -3.715 -12.695 375 HA ARG 57 HA ARG 57 22.431 -1.784 -14.154 376 HB2 ARG 57 HB2 ARG 57 22.137 -4.641 -13.657 377 HB3 ARG 57 HB3 ARG 57 20.745 -3.735 -14.260 378 HG2 ARG 57 HG2 ARG 57 22.224 -2.796 -16.024 379 HG3 ARG 57 HG3 ARG 57 23.465 -3.939 -15.491 380 HD2 ARG 57 HD2 ARG 57 20.745 -4.726 -16.026 381 HD3 ARG 57 HD3 ARG 57 21.884 -4.559 -17.390 382 HE ARG 57 HE ARG 57 23.273 -6.162 -15.958 383 HH11 ARG 57 HH11 ARG 57 19.705 -6.347 -15.840 384 HH12 ARG 57 HH12 ARG 57 19.734 -8.060 -15.694 385 HH21 ARG 57 HH21 ARG 57 23.135 -8.568 -15.918 386 HH22 ARG 57 HH22 ARG 57 21.573 -9.264 -15.834 387 H TRP 58 H TRP 58 21.950 -3.234 -11.115 388 HA TRP 58 HA TRP 58 19.265 -2.221 -10.685 389 HB2 TRP 58 HB2 TRP 58 21.244 -3.235 -8.644 390 HB3 TRP 58 HB3 TRP 58 19.513 -2.922 -8.388 391 HD1 TRP 58 HD1 TRP 58 21.453 -5.821 -8.815 392 HE1 TRP 58 HE1 TRP 58 20.316 -7.643 -10.228 393 HE3 TRP 58 HE3 TRP 58 17.611 -3.066 -10.886 394 HZ2 TRP 58 HZ2 TRP 58 18.132 -7.880 -11.989 395 HZ3 TRP 58 HZ3 TRP 58 16.071 -4.181 -12.393 396 HH2 TRP 58 HH2 TRP 58 16.302 -6.534 -12.924 397 H LEU 59 H LEU 59 22.345 -0.991 -9.681 398 HA LEU 59 HA LEU 59 21.347 1.365 -8.480 399 HB2 LEU 59 HB2 LEU 59 23.931 0.863 -9.939 400 HB3 LEU 59 HB3 LEU 59 23.552 2.406 -9.216 401 HG LEU 59 HG LEU 59 25.034 1.167 -7.817 402 HD11 LEU 59 HD11 LEU 59 22.289 1.214 -6.615 403 HD12 LEU 59 HD12 LEU 59 23.345 2.605 -6.817 404 HD13 LEU 59 HD13 LEU 59 23.834 1.286 -5.746 405 HD21 LEU 59 HD21 LEU 59 24.394 -0.978 -6.808 406 HD22 LEU 59 HD22 LEU 59 24.433 -1.047 -8.592 407 HD23 LEU 59 HD23 LEU 59 22.898 -0.934 -7.766 408 H HIS 60 H HIS 60 22.404 0.686 -11.706 409 HA HIS 60 HA HIS 60 22.072 3.197 -12.834 410 HB2 HIS 60 HB2 HIS 60 23.389 1.401 -13.768 411 HB3 HIS 60 HB3 HIS 60 21.956 0.443 -14.037 412 HD1 HIS 60 HD1 HIS 60 23.937 3.232 -15.592 413 HD2 HIS 60 HD2 HIS 60 20.313 1.289 -16.194 414 HE1 HIS 60 HE1 HIS 60 23.097 3.996 -17.840 415 H TRP 61 H TRP 61 19.742 0.702 -12.162 416 HA TRP 61 HA TRP 61 17.719 1.791 -13.881 417 HB2 TRP 61 HB2 TRP 61 17.872 -0.599 -13.500 418 HB3 TRP 61 HB3 TRP 61 17.704 -0.345 -11.776 419 HD1 TRP 61 HD1 TRP 61 15.475 0.664 -14.844 420 HE1 TRP 61 HE1 TRP 61 13.033 0.040 -14.250 421 HE3 TRP 61 HE3 TRP 61 16.246 -1.234 -10.221 422 HZ2 TRP 61 HZ2 TRP 61 11.634 -1.186 -12.074 423 HZ3 TRP 61 HZ3 TRP 61 14.335 -2.142 -8.941 424 HH2 TRP 61 HH2 TRP 61 12.084 -2.098 -9.860 425 H PHE 62 H PHE 62 17.909 1.300 -10.335 426 HA PHE 62 HA PHE 62 15.752 3.065 -10.108 427 HB2 PHE 62 HB2 PHE 62 16.192 2.820 -7.499 428 HB3 PHE 62 HB3 PHE 62 15.293 1.669 -8.456 429 HD1 PHE 62 HD1 PHE 62 18.739 2.356 -7.231 430 HD2 PHE 62 HD2 PHE 62 15.775 -0.452 -8.324 431 HE1 PHE 62 HE1 PHE 62 20.215 0.490 -6.498 432 HE2 PHE 62 HE2 PHE 62 17.153 -2.274 -7.627 433 HZ PHE 62 HZ PHE 62 19.400 -1.866 -6.780 434 H ARG 63 H ARG 63 19.057 3.731 -10.004 435 HA ARG 63 HA ARG 63 18.973 6.062 -8.471 436 HB2 ARG 63 HB2 ARG 63 21.104 5.116 -9.310 437 HB3 ARG 63 HB3 ARG 63 20.664 5.569 -10.948 438 HG2 ARG 63 HG2 ARG 63 22.266 7.144 -10.043 439 HG3 ARG 63 HG3 ARG 63 20.709 7.940 -10.289 440 HD2 ARG 63 HD2 ARG 63 20.227 7.439 -7.848 441 HD3 ARG 63 HD3 ARG 63 21.923 6.994 -7.705 442 HE ARG 63 HE ARG 63 22.373 9.301 -8.535 443 HH11 ARG 63 HH11 ARG 63 19.492 8.493 -6.636 444 HH12 ARG 63 HH12 ARG 63 19.169 10.048 -6.068 445 HH21 ARG 63 HH21 ARG 63 22.003 11.531 -7.727 446 HH22 ARG 63 HH22 ARG 63 20.680 11.853 -6.708 447 H LYS 64 H LYS 64 17.721 5.425 -11.643 448 HA LYS 64 HA LYS 64 17.420 8.143 -12.508 449 HB2 LYS 64 HB2 LYS 64 15.979 5.678 -13.418 450 HB3 LYS 64 HB3 LYS 64 15.989 7.236 -14.227 451 HG2 LYS 64 HG2 LYS 64 18.558 6.909 -14.263 452 HG3 LYS 64 HG3 LYS 64 18.153 5.205 -14.006 453 HD2 LYS 64 HD2 LYS 64 16.577 5.376 -15.911 454 HD3 LYS 64 HD3 LYS 64 17.204 7.021 -16.130 455 HE2 LYS 64 HE2 LYS 64 18.325 5.515 -17.703 456 HE3 LYS 64 HE3 LYS 64 19.467 6.096 -16.492 457 HZ1 LYS 64 HZ1 LYS 64 19.735 3.718 -16.869 458 HZ2 LYS 64 HZ2 LYS 64 18.119 3.450 -16.470 459 HZ3 LYS 64 HZ3 LYS 64 19.187 3.988 -15.295 460 H ASN 65 H ASN 65 15.678 5.959 -10.506 461 HA ASN 65 HA ASN 65 13.161 7.396 -10.662 462 HB2 ASN 65 HB2 ASN 65 14.009 4.938 -9.105 463 HB3 ASN 65 HB3 ASN 65 12.401 5.641 -9.010 464 HD21 ASN 65 HD21 ASN 65 11.546 3.647 -9.679 465 HD22 ASN 65 HD22 ASN 65 11.646 3.112 -11.301 466 H GLY 66 H GLY 66 15.964 7.994 -9.203 467 HA2 GLY 66 HA2 GLY 66 16.133 9.897 -7.754 468 HA3 GLY 66 HA3 GLY 66 14.601 9.437 -7.037 469 H TYR 67 H TYR 67 15.996 6.589 -7.110 470 HA TYR 67 HA TYR 67 16.527 6.404 -4.333 471 HB2 TYR 67 HB2 TYR 67 17.389 4.662 -6.624 472 HB3 TYR 67 HB3 TYR 67 17.596 4.257 -4.936 473 HD1 TYR 67 HD2 TYR 67 14.942 5.070 -7.422 474 HD2 TYR 67 HD1 TYR 67 15.972 2.980 -3.886 475 HE1 TYR 67 HE2 TYR 67 12.788 3.886 -7.506 476 HE2 TYR 67 HE1 TYR 67 13.822 1.780 -3.991 477 HH TYR 67 HH TYR 67 11.994 1.587 -6.663 478 H ARG 68 H ARG 68 18.321 6.937 -3.082 479 HA ARG 68 HA ARG 68 20.694 7.765 -4.411 480 HB2 ARG 68 HB2 ARG 68 19.524 9.235 -2.829 481 HB3 ARG 68 HB3 ARG 68 19.597 7.967 -1.615 482 HG2 ARG 68 HG2 ARG 68 22.099 8.254 -2.537 483 HG3 ARG 68 HG3 ARG 68 21.530 9.934 -2.326 484 HD2 ARG 68 HD2 ARG 68 22.565 9.236 -0.209 485 HD3 ARG 68 HD3 ARG 68 20.820 9.218 0.036 486 HE ARG 68 HE ARG 68 21.564 6.683 -0.824 487 HH11 ARG 68 HH11 ARG 68 21.941 8.656 2.187 488 HH12 ARG 68 HH12 ARG 68 22.322 7.230 3.028 489 HH21 ARG 68 HH21 ARG 68 22.163 4.865 0.569 490 HH22 ARG 68 HH22 ARG 68 22.413 5.249 2.227 491 H LEU 69 H LEU 69 21.940 5.818 -4.724 492 HA LEU 69 HA LEU 69 22.743 4.503 -2.249 493 HB2 LEU 69 HB2 LEU 69 22.059 2.946 -4.737 494 HB3 LEU 69 HB3 LEU 69 22.681 2.312 -3.236 495 HG LEU 69 HG LEU 69 20.447 3.264 -2.269 496 HD11 LEU 69 HD11 LEU 69 19.734 2.872 -5.145 497 HD12 LEU 69 HD12 LEU 69 19.651 4.367 -4.196 498 HD13 LEU 69 HD13 LEU 69 18.596 3.002 -3.804 499 HD21 LEU 69 HD21 LEU 69 19.346 1.155 -2.665 500 HD22 LEU 69 HD22 LEU 69 21.048 0.918 -2.224 501 HD23 LEU 69 HD23 LEU 69 20.525 0.754 -3.911 502 H THR 70 H THR 70 24.726 4.114 -2.098 503 HA THR 70 HA THR 70 26.314 4.480 -4.504 504 HB THR 70 HB THR 70 28.308 4.502 -3.022 505 HG1 THR 70 HG1 THR 70 26.490 3.622 -1.091 506 HG21 THR 70 HG21 THR 70 27.227 6.647 -3.415 507 HG22 THR 70 HG22 THR 70 27.907 6.590 -1.789 508 HG23 THR 70 HG23 THR 70 26.172 6.386 -2.027 509 H LEU 71 H LEU 71 28.293 2.627 -4.168 510 HA LEU 71 HA LEU 71 26.662 0.349 -4.652 511 HB2 LEU 71 HB2 LEU 71 29.683 0.434 -4.696 512 HB3 LEU 71 HB3 LEU 71 28.646 -0.854 -5.288 513 HG LEU 71 HG LEU 71 29.363 0.302 -7.223 514 HD11 LEU 71 HD11 LEU 71 27.330 1.110 -8.198 515 HD12 LEU 71 HD12 LEU 71 26.681 1.455 -6.600 516 HD13 LEU 71 HD13 LEU 71 26.922 -0.213 -7.089 517 HD21 LEU 71 HD21 LEU 71 28.482 2.824 -5.897 518 HD22 LEU 71 HD22 LEU 71 29.157 2.718 -7.533 519 HD23 LEU 71 HD23 LEU 71 30.171 2.357 -6.118 520 H ARG 72 H ARG 72 28.107 1.615 -2.107 521 HA ARG 72 HA ARG 72 29.262 -0.349 -0.454 522 HB2 ARG 72 HB2 ARG 72 29.543 1.920 0.018 523 HB3 ARG 72 HB3 ARG 72 27.817 2.229 0.021 524 HG2 ARG 72 HG2 ARG 72 27.810 0.646 2.076 525 HG3 ARG 72 HG3 ARG 72 29.535 1.036 2.152 526 HD2 ARG 72 HD2 ARG 72 28.242 2.574 3.554 527 HD3 ARG 72 HD3 ARG 72 28.975 3.436 2.201 528 HE ARG 72 HE ARG 72 26.593 2.987 1.152 529 HH11 ARG 72 HH11 ARG 72 27.234 4.038 4.523 530 HH12 ARG 72 HH12 ARG 72 25.715 4.817 4.643 531 HH21 ARG 72 HH21 ARG 72 24.545 4.102 1.426 532 HH22 ARG 72 HH22 ARG 72 24.238 4.838 2.950 533 H GLU 73 H GLU 73 25.927 0.915 -0.294 534 HA GLU 73 HA GLU 73 25.242 -0.794 1.772 535 HB2 GLU 73 HB2 GLU 73 22.829 -0.125 1.172 536 HB3 GLU 73 HB3 GLU 73 23.949 1.090 1.769 537 HG2 GLU 73 HG2 GLU 73 23.978 0.586 -0.981 538 HG3 GLU 73 HG3 GLU 73 22.448 1.367 -0.462 539 H LEU 74 H LEU 74 25.106 -1.337 -1.617 540 HA LEU 74 HA LEU 74 23.341 -3.616 -1.272 541 HB2 LEU 74 HB2 LEU 74 24.788 -2.869 -3.816 542 HB3 LEU 74 HB3 LEU 74 23.373 -3.884 -3.651 543 HG LEU 74 HG LEU 74 22.425 -1.604 -2.612 544 HD11 LEU 74 HD11 LEU 74 24.414 -0.362 -2.932 545 HD12 LEU 74 HD12 LEU 74 23.169 0.255 -4.017 546 HD13 LEU 74 HD13 LEU 74 24.465 -0.777 -4.632 547 HD21 LEU 74 HD21 LEU 74 21.373 -2.912 -4.379 548 HD22 LEU 74 HD22 LEU 74 22.498 -2.219 -5.566 549 HD23 LEU 74 HD23 LEU 74 21.345 -1.183 -4.700 550 H TYR 75 H TYR 75 26.538 -2.947 -1.020 551 HA TYR 75 HA TYR 75 27.446 -5.648 -1.593 552 HB2 TYR 75 HB2 TYR 75 28.665 -3.023 -1.230 553 HB3 TYR 75 HB3 TYR 75 29.678 -4.308 -0.663 554 HD1 TYR 75 HD2 TYR 75 28.808 -6.368 -2.829 555 HD2 TYR 75 HD1 TYR 75 29.873 -2.247 -3.012 556 HE1 TYR 75 HE2 TYR 75 29.545 -6.689 -5.114 557 HE2 TYR 75 HE1 TYR 75 30.646 -2.555 -5.342 558 HH TYR 75 HH TYR 75 31.411 -4.365 -6.836 559 H ALA 76 H ALA 76 27.196 -3.363 1.059 560 HA ALA 76 HA ALA 76 28.342 -5.122 2.935 561 HB1 ALA 76 HB1 ALA 76 27.675 -3.481 4.630 562 HB2 ALA 76 HB2 ALA 76 26.671 -2.659 3.436 563 HB3 ALA 76 HB3 ALA 76 28.422 -2.698 3.238 564 H ALA 77 H ALA 77 25.047 -4.396 1.953 565 HA ALA 77 HA ALA 77 24.206 -6.724 3.466 566 HB1 ALA 77 HB1 ALA 77 22.680 -4.116 3.399 567 HB2 ALA 77 HB2 ALA 77 23.544 -4.763 4.794 568 HB3 ALA 77 HB3 ALA 77 22.135 -5.613 4.156 569 HA PRO 78 HA PRO 78 22.624 -6.852 -0.774 570 HB2 PRO 78 HB2 PRO 78 23.833 -9.228 -1.454 571 HB3 PRO 78 HB3 PRO 78 24.570 -7.633 -1.704 572 HG2 PRO 78 HG2 PRO 78 25.434 -9.680 0.092 573 HG3 PRO 78 HG3 PRO 78 26.151 -8.085 -0.187 574 HD2 PRO 78 HD2 PRO 78 24.382 -8.970 1.989 575 HD3 PRO 78 HD3 PRO 78 25.493 -7.586 1.918 576 H THR 79 H THR 79 20.619 -7.242 0.315 577 HA THR 79 HA THR 79 19.634 -9.935 -0.083 578 HB THR 79 HB THR 79 18.401 -9.845 2.117 579 HG1 THR 79 HG1 THR 79 20.209 -8.059 3.168 580 HG21 THR 79 HG21 THR 79 20.438 -11.203 2.053 581 HG22 THR 79 HG22 THR 79 20.239 -10.449 3.634 582 HG23 THR 79 HG23 THR 79 21.404 -9.790 2.482 583 H LEU 80 H LEU 80 17.345 -9.744 -0.611 584 HA LEU 80 HA LEU 80 16.572 -7.095 -1.359 585 HB2 LEU 80 HB2 LEU 80 15.049 -9.660 -1.252 586 HB3 LEU 80 HB3 LEU 80 14.334 -8.172 -1.816 587 HG LEU 80 HG LEU 80 16.634 -9.622 -2.906 588 HD11 LEU 80 HD11 LEU 80 13.892 -8.939 -4.016 589 HD12 LEU 80 HD12 LEU 80 14.343 -10.541 -3.413 590 HD13 LEU 80 HD13 LEU 80 15.078 -9.899 -4.896 591 HD21 LEU 80 HD21 LEU 80 16.565 -7.962 -4.800 592 HD22 LEU 80 HD22 LEU 80 17.069 -7.277 -3.266 593 HD23 LEU 80 HD23 LEU 80 15.422 -7.015 -3.856 594 H ALA 81 H ALA 81 16.267 -9.049 1.211 595 HA ALA 81 HA ALA 81 14.242 -7.839 2.765 596 HB1 ALA 81 HB1 ALA 81 15.402 -8.676 4.761 597 HB2 ALA 81 HB2 ALA 81 16.851 -8.967 3.799 598 HB3 ALA 81 HB3 ALA 81 15.385 -9.896 3.485 599 H ALA 82 H ALA 82 17.735 -6.970 2.609 600 HA ALA 82 HA ALA 82 17.298 -4.595 4.163 601 HB1 ALA 82 HB1 ALA 82 19.726 -5.415 2.571 602 HB2 ALA 82 HB2 ALA 82 19.438 -5.794 4.268 603 HB3 ALA 82 HB3 ALA 82 19.652 -4.118 3.763 604 H TRP 83 H TRP 83 17.655 -5.377 0.746 605 HA TRP 83 HA TRP 83 17.892 -2.723 -0.138 606 HB2 TRP 83 HB2 TRP 83 16.881 -5.140 -1.650 607 HB3 TRP 83 HB3 TRP 83 17.161 -3.572 -2.382 608 HD1 TRP 83 HD1 TRP 83 19.854 -4.250 0.081 609 HE1 TRP 83 HE1 TRP 83 21.970 -5.059 -1.063 610 HE3 TRP 83 HE3 TRP 83 17.916 -5.164 -4.559 611 HZ2 TRP 83 HZ2 TRP 83 22.750 -5.981 -3.652 612 HZ3 TRP 83 HZ3 TRP 83 19.420 -6.002 -6.318 613 HH2 TRP 83 HH2 TRP 83 21.784 -6.399 -5.872 614 H ASN 84 H ASN 84 15.026 -4.628 0.561 615 HA ASN 84 HA ASN 84 13.133 -2.862 -0.511 616 HB2 ASN 84 HB2 ASN 84 12.436 -5.036 0.330 617 HB3 ASN 84 HB3 ASN 84 12.933 -4.606 1.961 618 HD21 ASN 84 HD21 ASN 84 10.531 -4.075 -0.537 619 HD22 ASN 84 HD22 ASN 84 9.359 -3.377 0.522 620 H GLN 85 H GLN 85 14.715 -2.867 2.612 621 HA GLN 85 HA GLN 85 13.427 -0.616 3.705 622 HB2 GLN 85 HB2 GLN 85 16.120 -1.861 4.274 623 HB3 GLN 85 HB3 GLN 85 15.406 -0.587 5.256 624 HG2 GLN 85 HG2 GLN 85 13.597 -1.991 5.911 625 HG3 GLN 85 HG3 GLN 85 14.054 -3.222 4.738 626 HE21 GLN 85 HE21 GLN 85 15.670 -4.630 5.222 627 HE22 GLN 85 HE22 GLN 85 16.395 -4.719 6.800 628 H LEU 86 H LEU 86 16.409 -0.991 1.868 629 HA LEU 86 HA LEU 86 17.261 1.664 1.715 630 HB2 LEU 86 HB2 LEU 86 17.495 -0.687 -0.104 631 HB3 LEU 86 HB3 LEU 86 18.057 0.879 -0.641 632 HG LEU 86 HG LEU 86 19.065 -0.346 1.924 633 HD11 LEU 86 HD11 LEU 86 19.569 -1.902 0.095 634 HD12 LEU 86 HD12 LEU 86 21.023 -1.022 0.571 635 HD13 LEU 86 HD13 LEU 86 20.134 -0.552 -0.883 636 HD21 LEU 86 HD21 LEU 86 19.335 2.068 1.525 637 HD22 LEU 86 HD22 LEU 86 20.128 1.653 -0.007 638 HD23 LEU 86 HD23 LEU 86 20.879 1.187 1.521 639 H MET 87 H MET 87 15.064 -0.138 -0.318 640 HA MET 87 HA MET 87 14.597 1.858 -2.213 641 HB2 MET 87 HB2 MET 87 12.981 -0.562 -1.505 642 HB3 MET 87 HB3 MET 87 12.659 0.468 -2.891 643 HG2 MET 87 HG2 MET 87 14.915 -0.054 -3.758 644 HG3 MET 87 HG3 MET 87 15.165 -1.119 -2.377 645 HE1 MET 87 HE1 MET 87 11.814 -0.605 -4.333 646 HE2 MET 87 HE2 MET 87 12.070 -1.736 -5.670 647 HE3 MET 87 HE3 MET 87 13.136 -0.336 -5.491 648 H LEU 88 H LEU 88 13.023 1.183 0.812 649 HA LEU 88 HA LEU 88 11.067 3.129 0.098 650 HB2 LEU 88 HB2 LEU 88 10.016 2.668 2.261 651 HB3 LEU 88 HB3 LEU 88 10.031 1.397 1.062 652 HG LEU 88 HG LEU 88 12.031 0.500 2.391 653 HD11 LEU 88 HD11 LEU 88 12.038 1.102 4.746 654 HD12 LEU 88 HD12 LEU 88 10.720 2.252 4.443 655 HD13 LEU 88 HD13 LEU 88 12.298 2.518 3.706 656 HD21 LEU 88 HD21 LEU 88 9.909 -0.425 2.084 657 HD22 LEU 88 HD22 LEU 88 9.237 0.545 3.395 658 HD23 LEU 88 HD23 LEU 88 10.444 -0.735 3.752 659 H SER 89 H SER 89 13.992 3.197 1.642 660 HA SER 89 HA SER 89 13.392 5.677 3.127 661 HB2 SER 89 HB2 SER 89 15.959 4.135 2.910 662 HB3 SER 89 HB3 SER 89 15.603 5.463 4.013 663 HG SER 89 HG SER 89 14.553 2.834 3.994 664 H ARG 90 H ARG 90 15.365 4.574 0.376 665 HA ARG 90 HA ARG 90 16.635 5.550 -1.094 666 HB2 ARG 90 HB2 ARG 90 14.743 7.846 -0.715 667 HB3 ARG 90 HB3 ARG 90 16.082 7.930 -1.847 668 HG2 ARG 90 HG2 ARG 90 14.126 7.337 -3.036 669 HG3 ARG 90 HG3 ARG 90 15.168 5.912 -2.972 670 HD2 ARG 90 HD2 ARG 90 12.906 5.254 -2.597 671 HD3 ARG 90 HD3 ARG 90 13.827 5.093 -1.103 672 HE ARG 90 HE ARG 90 12.818 7.509 -0.791 673 HH11 ARG 90 HH11 ARG 90 11.300 4.451 -1.680 674 HH12 ARG 90 HH12 ARG 90 9.740 4.864 -1.140 675 HH21 ARG 90 HH21 ARG 90 10.650 8.116 0.010 676 HH22 ARG 90 HH22 ARG 90 9.365 7.013 -0.144 677 H SER 91 H SER 91 16.224 7.881 1.390 678 HA SER 91 HA SER 91 19.110 8.013 1.603 679 HB2 SER 91 HB2 SER 91 18.996 10.558 1.614 680 HB3 SER 91 HB3 SER 91 18.773 9.770 0.048 681 HG SER 91 HG SER 91 16.833 10.824 1.777 682 HA PRO 92 HA PRO 92 17.363 8.333 5.863 683 HB2 PRO 92 HB2 PRO 92 18.642 6.189 6.895 684 HB3 PRO 92 HB3 PRO 92 17.103 6.001 6.027 685 HG2 PRO 92 HG2 PRO 92 19.867 5.522 5.033 686 HG3 PRO 92 HG3 PRO 92 18.401 4.550 4.803 687 HD2 PRO 92 HD2 PRO 92 19.308 6.241 2.886 688 HD3 PRO 92 HD3 PRO 92 17.582 5.881 3.148 689 H GLU 93 H GLU 93 20.140 8.683 4.156 690 HA GLU 93 HA GLU 93 21.692 9.817 6.338 691 HB2 GLU 93 HB2 GLU 93 22.969 8.329 4.027 692 HB3 GLU 93 HB3 GLU 93 23.695 8.843 5.519 693 HG2 GLU 93 HG2 GLU 93 22.920 7.037 6.722 694 HG3 GLU 93 HG3 GLU 93 21.585 6.738 5.608 Start of MODEL 4 1 H ASP 14 HT1 ASP 14 8.715 -1.800 0.194 2 HA ASP 14 HA ASP 14 7.666 -1.650 -1.901 3 HB2 ASP 14 HB2 ASP 14 6.090 -3.556 -1.589 4 HB3 ASP 14 HB3 ASP 14 5.154 -2.585 -0.457 5 H ASN 15 H ASN 15 6.132 0.083 -2.506 6 HA ASN 15 HA ASN 15 4.837 1.905 -0.925 7 HB2 ASN 15 HB2 ASN 15 7.325 2.447 -0.220 8 HB3 ASN 15 HB3 ASN 15 7.584 2.877 -1.901 9 HD21 ASN 15 HD21 ASN 15 7.836 4.497 0.522 10 HD22 ASN 15 HD22 ASN 15 6.777 5.837 0.304 11 H ARG 16 H ARG 16 4.614 3.846 -2.651 12 HA ARG 16 HA ARG 16 3.689 2.260 -4.799 13 HB2 ARG 16 HB2 ARG 16 3.386 5.197 -4.339 14 HB3 ARG 16 HB3 ARG 16 2.672 4.343 -5.705 15 HG2 ARG 16 HG2 ARG 16 2.183 3.662 -2.814 16 HG3 ARG 16 HG3 ARG 16 1.082 4.642 -3.797 17 HD2 ARG 16 HD2 ARG 16 0.179 2.424 -3.774 18 HD3 ARG 16 HD3 ARG 16 0.931 2.614 -5.352 19 HE ARG 16 HE ARG 16 2.221 1.157 -3.114 20 HH11 ARG 16 HH11 ARG 16 1.393 1.319 -6.561 21 HH12 ARG 16 HH12 ARG 16 2.169 -0.150 -6.944 22 HH21 ARG 16 HH21 ARG 16 3.288 -0.866 -3.655 23 HH22 ARG 16 HH22 ARG 16 3.289 -1.422 -5.217 24 H HIS 17 H HIS 17 6.441 4.352 -4.577 25 HA HIS 17 HA HIS 17 6.948 3.951 -7.412 26 HB2 HIS 17 HB2 HIS 17 7.662 6.081 -6.126 27 HB3 HIS 17 HB3 HIS 17 8.898 5.080 -5.375 28 HD1 HIS 17 HD1 HIS 17 10.002 7.381 -6.960 29 HD2 HIS 17 HD2 HIS 17 9.095 3.729 -8.744 30 HE1 HIS 17 HE1 HIS 17 11.240 7.329 -9.131 31 H ALA 18 H ALA 18 7.988 2.960 -4.256 32 HA ALA 18 HA ALA 18 10.078 1.210 -4.796 33 HB1 ALA 18 HB1 ALA 18 8.162 0.911 -2.515 34 HB2 ALA 18 HB2 ALA 18 9.515 2.046 -2.552 35 HB3 ALA 18 HB3 ALA 18 9.815 0.309 -2.619 36 H ALA 19 H ALA 19 6.880 0.752 -5.570 37 HA ALA 19 HA ALA 19 6.638 -1.989 -5.747 38 HB1 ALA 19 HB1 ALA 19 5.220 -1.585 -7.712 39 HB2 ALA 19 HB2 ALA 19 5.844 0.062 -7.824 40 HB3 ALA 19 HB3 ALA 19 4.875 -0.420 -6.433 41 H ASP 20 H ASP 20 8.862 0.157 -7.366 42 HA ASP 20 HA ASP 20 9.644 -1.474 -9.486 43 HB2 ASP 20 HB2 ASP 20 11.713 -0.173 -9.608 44 HB3 ASP 20 HB3 ASP 20 10.357 0.919 -9.325 45 H TYR 21 H TYR 21 10.455 -1.573 -6.104 46 HA TYR 21 HA TYR 21 12.554 -3.474 -6.098 47 HB2 TYR 21 HB2 TYR 21 12.188 -2.508 -3.999 48 HB3 TYR 21 HB3 TYR 21 10.448 -2.629 -4.132 49 HD1 TYR 21 HD2 TYR 21 13.128 -5.266 -4.268 50 HD2 TYR 21 HD1 TYR 21 9.699 -3.735 -2.285 51 HE1 TYR 21 HE2 TYR 21 13.107 -7.215 -2.819 52 HE2 TYR 21 HE1 TYR 21 9.665 -5.679 -0.814 53 HH TYR 21 HH TYR 21 12.233 -8.043 -0.752 54 H GLN 22 H GLN 22 9.074 -4.032 -6.353 55 HA GLN 22 HA GLN 22 9.543 -6.876 -6.361 56 HB2 GLN 22 HB2 GLN 22 7.015 -5.385 -7.079 57 HB3 GLN 22 HB3 GLN 22 7.157 -7.123 -7.245 58 HG2 GLN 22 HG2 GLN 22 6.131 -6.895 -5.187 59 HG3 GLN 22 HG3 GLN 22 7.819 -7.111 -4.759 60 HE21 GLN 22 HE21 GLN 22 6.407 -4.142 -5.982 61 HE22 GLN 22 HE22 GLN 22 6.503 -3.272 -4.496 62 H GLN 23 H GLN 23 9.680 -4.470 -8.715 63 HA GLN 23 HA GLN 23 9.665 -6.368 -10.883 64 HB2 GLN 23 HB2 GLN 23 10.182 -3.421 -10.746 65 HB3 GLN 23 HB3 GLN 23 10.491 -4.344 -12.212 66 HG2 GLN 23 HG2 GLN 23 7.837 -4.128 -10.803 67 HG3 GLN 23 HG3 GLN 23 8.299 -3.257 -12.268 68 HE21 GLN 23 HE21 GLN 23 7.448 -6.363 -10.935 69 HE22 GLN 23 HE22 GLN 23 7.181 -7.152 -12.439 70 H LEU 24 H LEU 24 11.846 -5.054 -8.693 71 HA LEU 24 HA LEU 24 14.265 -5.486 -10.096 72 HB2 LEU 24 HB2 LEU 24 14.181 -4.003 -8.197 73 HB3 LEU 24 HB3 LEU 24 13.532 -5.264 -7.184 74 HG LEU 24 HG LEU 24 15.677 -6.406 -7.166 75 HD11 LEU 24 HD11 LEU 24 16.602 -4.146 -8.916 76 HD12 LEU 24 HD12 LEU 24 16.507 -5.859 -9.347 77 HD13 LEU 24 HD13 LEU 24 17.648 -5.321 -8.127 78 HD21 LEU 24 HD21 LEU 24 15.872 -3.471 -6.529 79 HD22 LEU 24 HD22 LEU 24 16.936 -4.736 -5.915 80 HD23 LEU 24 HD23 LEU 24 15.227 -4.730 -5.476 81 H ARG 25 H ARG 25 12.873 -7.379 -7.340 82 HA ARG 25 HA ARG 25 14.744 -9.353 -7.371 83 HB2 ARG 25 HB2 ARG 25 13.218 -8.799 -5.554 84 HB3 ARG 25 HB3 ARG 25 11.885 -9.437 -6.499 85 HG2 ARG 25 HG2 ARG 25 12.888 -11.580 -6.543 86 HG3 ARG 25 HG3 ARG 25 14.268 -10.945 -5.612 87 HD2 ARG 25 HD2 ARG 25 12.560 -12.161 -4.186 88 HD3 ARG 25 HD3 ARG 25 12.837 -10.477 -3.718 89 HE ARG 25 HE ARG 25 10.709 -11.143 -5.580 90 HH11 ARG 25 HH11 ARG 25 11.627 -10.124 -2.286 91 HH12 ARG 25 HH12 ARG 25 10.232 -9.255 -1.985 92 HH21 ARG 25 HH21 ARG 25 8.839 -9.949 -5.275 93 HH22 ARG 25 HH22 ARG 25 8.461 -9.173 -3.781 94 H GLU 26 H GLU 26 11.464 -9.415 -8.646 95 HA GLU 26 HA GLU 26 11.487 -11.969 -9.584 96 HB2 GLU 26 HB2 GLU 26 9.820 -9.591 -10.095 97 HB3 GLU 26 HB3 GLU 26 9.614 -10.999 -11.128 98 HG2 GLU 26 HG2 GLU 26 8.069 -10.986 -9.257 99 HG3 GLU 26 HG3 GLU 26 9.102 -12.396 -9.235 100 H ARG 27 H ARG 27 12.989 -9.206 -11.012 101 HA ARG 27 HA ARG 27 13.096 -10.492 -13.592 102 HB2 ARG 27 HB2 ARG 27 14.182 -7.847 -12.738 103 HB3 ARG 27 HB3 ARG 27 14.377 -8.526 -14.357 104 HG2 ARG 27 HG2 ARG 27 11.892 -8.772 -14.445 105 HG3 ARG 27 HG3 ARG 27 11.831 -7.832 -12.954 106 HD2 ARG 27 HD2 ARG 27 13.072 -6.044 -14.120 107 HD3 ARG 27 HD3 ARG 27 12.926 -7.020 -15.594 108 HE ARG 27 HE ARG 27 10.531 -6.232 -14.118 109 HH11 ARG 27 HH11 ARG 27 12.401 -6.074 -17.093 110 HH12 ARG 27 HH12 ARG 27 11.200 -5.309 -18.029 111 HH21 ARG 27 HH21 ARG 27 8.846 -5.188 -15.331 112 HH22 ARG 27 HH22 ARG 27 9.060 -4.775 -16.971 113 H LEU 28 H LEU 28 15.202 -10.232 -10.848 114 HA LEU 28 HA LEU 28 17.515 -11.165 -12.320 115 HB2 LEU 28 HB2 LEU 28 16.909 -11.584 -9.369 116 HB3 LEU 28 HB3 LEU 28 18.410 -12.024 -10.138 117 HG LEU 28 HG LEU 28 18.664 -9.488 -10.624 118 HD11 LEU 28 HD11 LEU 28 17.511 -8.024 -9.153 119 HD12 LEU 28 HD12 LEU 28 16.595 -9.392 -8.493 120 HD13 LEU 28 HD13 LEU 28 16.394 -8.929 -10.181 121 HD21 LEU 28 HD21 LEU 28 19.602 -9.109 -8.420 122 HD22 LEU 28 HD22 LEU 28 20.014 -10.718 -9.022 123 HD23 LEU 28 HD23 LEU 28 18.749 -10.528 -7.803 124 H ILE 29 H ILE 29 14.872 -12.506 -10.648 125 HA ILE 29 HA ILE 29 15.416 -15.196 -10.678 126 HB ILE 29 HB ILE 29 13.043 -13.474 -10.392 127 HG12 ILE 29 HG12 ILE 29 12.729 -14.690 -8.358 128 HG13 ILE 29 HG11 ILE 29 13.895 -15.905 -8.858 129 HG21 ILE 29 HG21 ILE 29 12.610 -16.365 -11.032 130 HG22 ILE 29 HG22 ILE 29 11.965 -14.967 -11.918 131 HG23 ILE 29 HG23 ILE 29 11.449 -15.304 -10.253 132 HD11 ILE 29 HD11 ILE 29 14.810 -14.375 -7.233 133 HD12 ILE 29 HD12 ILE 29 14.484 -13.021 -8.339 134 HD13 ILE 29 HD13 ILE 29 15.643 -14.275 -8.786 135 H GLN 30 H GLN 30 14.401 -13.191 -13.295 136 HA GLN 30 HA GLN 30 13.541 -15.317 -14.988 137 HB2 GLN 30 HB2 GLN 30 14.513 -12.599 -15.829 138 HB3 GLN 30 HB3 GLN 30 13.473 -13.703 -16.726 139 HG2 GLN 30 HG2 GLN 30 11.769 -13.457 -14.934 140 HG3 GLN 30 HG3 GLN 30 12.819 -12.263 -14.187 141 HE21 GLN 30 HE21 GLN 30 10.759 -12.943 -16.898 142 HE22 GLN 30 HE22 GLN 30 10.607 -11.310 -17.449 143 H GLU 31 H GLU 31 16.568 -13.667 -14.384 144 HA GLU 31 HA GLU 31 17.950 -15.011 -16.553 145 HB2 GLU 31 HB2 GLU 31 19.145 -13.505 -14.222 146 HB3 GLU 31 HB3 GLU 31 19.968 -13.969 -15.697 147 HG2 GLU 31 HG2 GLU 31 18.427 -12.442 -16.940 148 HG3 GLU 31 HG3 GLU 31 17.802 -11.939 -15.359 149 H LEU 32 H LEU 32 17.501 -15.347 -13.103 150 HA LEU 32 HA LEU 32 19.536 -17.272 -12.821 151 HB2 LEU 32 HB2 LEU 32 17.418 -16.371 -10.866 152 HB3 LEU 32 HB3 LEU 32 18.768 -17.428 -10.487 153 HG LEU 32 HG LEU 32 18.844 -14.581 -11.349 154 HD11 LEU 32 HD11 LEU 32 20.009 -14.200 -9.160 155 HD12 LEU 32 HD12 LEU 32 19.716 -15.887 -8.762 156 HD13 LEU 32 HD13 LEU 32 18.353 -14.789 -8.993 157 HD21 LEU 32 HD21 LEU 32 21.146 -16.488 -11.017 158 HD22 LEU 32 HD22 LEU 32 21.319 -14.738 -11.045 159 HD23 LEU 32 HD23 LEU 32 20.680 -15.570 -12.462 160 H ASN 33 H ASN 33 16.258 -17.387 -13.691 161 HA ASN 33 HA ASN 33 14.875 -19.012 -14.393 162 HB2 ASN 33 HB2 ASN 33 16.962 -19.814 -15.579 163 HB3 ASN 33 HB3 ASN 33 17.272 -20.880 -14.219 164 HD21 ASN 33 HD21 ASN 33 17.153 -22.725 -15.426 165 HD22 ASN 33 HD22 ASN 33 15.662 -23.320 -16.098 166 H LEU 34 H LEU 34 15.327 -18.497 -11.580 167 HA LEU 34 HA LEU 34 14.108 -20.883 -10.508 168 HB2 LEU 34 HB2 LEU 34 15.402 -20.601 -8.401 169 HB3 LEU 34 HB3 LEU 34 16.323 -21.168 -9.767 170 HG LEU 34 HG LEU 34 17.180 -18.790 -10.019 171 HD11 LEU 34 HD11 LEU 34 15.471 -17.711 -8.661 172 HD12 LEU 34 HD12 LEU 34 17.109 -17.325 -8.113 173 HD13 LEU 34 HD13 LEU 34 16.123 -18.482 -7.213 174 HD21 LEU 34 HD21 LEU 34 17.825 -20.327 -7.531 175 HD22 LEU 34 HD22 LEU 34 18.863 -19.105 -8.284 176 HD23 LEU 34 HD23 LEU 34 18.480 -20.609 -9.142 177 H THR 35 H THR 35 12.787 -20.435 -8.583 178 HA THR 35 HA THR 35 11.324 -18.034 -9.057 179 HB THR 35 HB THR 35 9.930 -18.905 -7.115 180 HG1 THR 35 HG1 THR 35 10.610 -21.278 -6.738 181 HG21 THR 35 HG21 THR 35 10.508 -20.867 -9.347 182 HG22 THR 35 HG22 THR 35 9.389 -19.506 -9.443 183 HG23 THR 35 HG23 THR 35 9.056 -20.847 -8.346 184 HA PRO 36 HA PRO 36 13.113 -15.266 -6.122 185 HB2 PRO 36 HB2 PRO 36 10.934 -14.270 -4.716 186 HB3 PRO 36 HB3 PRO 36 11.422 -13.726 -6.333 187 HG2 PRO 36 HG2 PRO 36 9.337 -15.710 -5.586 188 HG3 PRO 36 HG3 PRO 36 9.287 -14.425 -6.811 189 HD2 PRO 36 HD2 PRO 36 9.693 -16.936 -7.538 190 HD3 PRO 36 HD3 PRO 36 10.576 -15.611 -8.317 191 H GLN 37 H GLN 37 11.638 -17.928 -5.153 192 HA GLN 37 HA GLN 37 11.948 -17.709 -2.236 193 HB2 GLN 37 HB2 GLN 37 9.762 -18.528 -3.025 194 HB3 GLN 37 HB3 GLN 37 10.555 -19.836 -3.887 195 HG2 GLN 37 HG2 GLN 37 9.546 -20.630 -1.821 196 HG3 GLN 37 HG3 GLN 37 11.299 -20.795 -1.769 197 HE21 GLN 37 HE21 GLN 37 12.483 -19.451 -0.396 198 HE22 GLN 37 HE22 GLN 37 11.731 -18.586 0.899 199 H GLN 38 H GLN 38 13.293 -19.160 -5.081 200 HA GLN 38 HA GLN 38 14.923 -21.067 -3.598 201 HB2 GLN 38 HB2 GLN 38 15.039 -20.211 -6.494 202 HB3 GLN 38 HB3 GLN 38 15.958 -21.540 -5.804 203 HG2 GLN 38 HG2 GLN 38 12.968 -21.377 -6.124 204 HG3 GLN 38 HG3 GLN 38 14.071 -22.356 -7.081 205 HE21 GLN 38 HE21 GLN 38 15.653 -23.145 -4.709 206 HE22 GLN 38 HE22 GLN 38 14.653 -24.282 -3.876 207 H LEU 39 H LEU 39 14.789 -17.947 -4.573 208 HA LEU 39 HA LEU 39 17.567 -17.344 -4.242 209 HB2 LEU 39 HB2 LEU 39 16.689 -15.961 -5.878 210 HB3 LEU 39 HB3 LEU 39 15.105 -15.909 -5.131 211 HG LEU 39 HG LEU 39 15.884 -14.530 -3.467 212 HD11 LEU 39 HD11 LEU 39 18.151 -13.268 -3.763 213 HD12 LEU 39 HD12 LEU 39 18.542 -14.431 -5.033 214 HD13 LEU 39 HD13 LEU 39 18.322 -14.969 -3.366 215 HD21 LEU 39 HD21 LEU 39 16.184 -12.411 -4.784 216 HD22 LEU 39 HD22 LEU 39 14.856 -13.448 -5.294 217 HD23 LEU 39 HD23 LEU 39 16.355 -13.414 -6.222 218 H HIS 40 H HIS 40 18.306 -16.504 -2.326 219 HA HIS 40 HA HIS 40 16.584 -16.598 -0.052 220 HB2 HIS 40 HB2 HIS 40 19.514 -16.035 -0.387 221 HB3 HIS 40 HB3 HIS 40 18.652 -15.858 1.131 222 HD1 HIS 40 HD1 HIS 40 18.062 -17.972 2.433 223 HD2 HIS 40 HD2 HIS 40 19.779 -18.732 -1.279 224 HE1 HIS 40 HE1 HIS 40 18.640 -20.432 2.410 225 H GLU 41 H GLU 41 15.373 -15.012 0.453 226 HA GLU 41 HA GLU 41 15.945 -12.249 -0.266 227 HB2 GLU 41 HB2 GLU 41 13.632 -13.175 -0.407 228 HB3 GLU 41 HB3 GLU 41 13.652 -13.458 1.322 229 HG2 GLU 41 HG2 GLU 41 12.358 -11.480 0.781 230 HG3 GLU 41 HG3 GLU 41 13.787 -11.050 1.716 231 H GLU 42 H GLU 42 16.257 -14.414 2.367 232 HA GLU 42 HA GLU 42 16.794 -12.305 4.290 233 HB2 GLU 42 HB2 GLU 42 17.094 -14.492 5.820 234 HB3 GLU 42 HB3 GLU 42 15.548 -13.721 5.552 235 HG2 GLU 42 HG2 GLU 42 15.607 -16.256 5.413 236 HG3 GLU 42 HG3 GLU 42 14.837 -15.419 4.076 237 H SER 43 H SER 43 18.436 -14.802 2.542 238 HA SER 43 HA SER 43 20.881 -14.248 4.014 239 HB2 SER 43 HB2 SER 43 20.364 -16.239 1.811 240 HB3 SER 43 HB3 SER 43 21.859 -16.078 2.701 241 HG SER 43 HG SER 43 19.324 -16.784 3.865 242 H ASN 44 H ASN 44 22.873 -14.063 2.675 243 HA ASN 44 HA ASN 44 22.786 -11.680 1.224 244 HB2 ASN 44 HB2 ASN 44 24.981 -13.755 1.283 245 HB3 ASN 44 HB3 ASN 44 25.158 -12.121 0.662 246 HD21 ASN 44 HD21 ASN 44 25.383 -10.430 2.126 247 HD22 ASN 44 HD22 ASN 44 25.587 -10.722 3.820 248 H LEU 45 H LEU 45 22.209 -11.226 -0.648 249 HA LEU 45 HA LEU 45 21.349 -12.957 -2.632 250 HB2 LEU 45 HB2 LEU 45 22.417 -10.177 -3.053 251 HB3 LEU 45 HB3 LEU 45 21.342 -11.046 -4.120 252 HG LEU 45 HG LEU 45 20.670 -10.068 -1.356 253 HD11 LEU 45 HD11 LEU 45 19.243 -8.475 -2.520 254 HD12 LEU 45 HD12 LEU 45 19.835 -9.075 -4.069 255 HD13 LEU 45 HD13 LEU 45 20.939 -8.268 -2.953 256 HD21 LEU 45 HD21 LEU 45 18.931 -11.368 -3.449 257 HD22 LEU 45 HD22 LEU 45 18.370 -10.693 -1.919 258 HD23 LEU 45 HD23 LEU 45 19.432 -12.100 -1.922 259 H ILE 46 H ILE 46 24.519 -11.894 -1.886 260 HA ILE 46 HA ILE 46 25.737 -12.222 -4.455 261 HB ILE 46 HB ILE 46 27.156 -12.233 -1.757 262 HG12 ILE 46 HG12 ILE 46 25.675 -10.245 -1.929 263 HG13 ILE 46 HG11 ILE 46 27.376 -9.813 -1.913 264 HG21 ILE 46 HG21 ILE 46 29.032 -11.251 -3.030 265 HG22 ILE 46 HG22 ILE 46 28.099 -11.428 -4.516 266 HG23 ILE 46 HG23 ILE 46 28.603 -12.860 -3.620 267 HD11 ILE 46 HD11 ILE 46 25.602 -9.918 -4.346 268 HD12 ILE 46 HD12 ILE 46 27.305 -9.464 -4.332 269 HD13 ILE 46 HD13 ILE 46 26.120 -8.461 -3.496 270 H GLN 47 H GLN 47 24.636 -14.424 -2.100 271 HA GLN 47 HA GLN 47 26.546 -16.515 -2.689 272 HB2 GLN 47 HB2 GLN 47 23.951 -16.633 -1.181 273 HB3 GLN 47 HB3 GLN 47 25.156 -17.907 -1.230 274 HG2 GLN 47 HG2 GLN 47 25.469 -15.179 -0.007 275 HG3 GLN 47 HG3 GLN 47 25.266 -16.692 0.876 276 HE21 GLN 47 HE21 GLN 47 27.013 -18.145 0.923 277 HE22 GLN 47 HE22 GLN 47 28.622 -17.611 0.553 278 H ALA 48 H ALA 48 23.956 -15.174 -4.160 279 HA ALA 48 HA ALA 48 23.129 -17.623 -5.540 280 HB1 ALA 48 HB1 ALA 48 21.682 -14.978 -5.238 281 HB2 ALA 48 HB2 ALA 48 21.279 -16.473 -4.394 282 HB3 ALA 48 HB3 ALA 48 21.090 -16.369 -6.145 283 H GLY 49 H GLY 49 22.273 -16.741 -7.875 284 HA2 GLY 49 HA2 GLY 49 24.664 -15.919 -9.195 285 HA3 GLY 49 HA3 GLY 49 23.092 -16.155 -9.951 286 H LEU 50 H LEU 50 25.134 -13.901 -8.273 287 HA LEU 50 HA LEU 50 23.855 -11.752 -9.666 288 HB2 LEU 50 HB2 LEU 50 22.609 -11.772 -7.683 289 HB3 LEU 50 HB3 LEU 50 24.016 -12.021 -6.671 290 HG LEU 50 HG LEU 50 24.846 -9.779 -7.392 291 HD11 LEU 50 HD11 LEU 50 23.230 -8.146 -8.248 292 HD12 LEU 50 HD12 LEU 50 22.049 -9.443 -8.454 293 HD13 LEU 50 HD13 LEU 50 23.549 -9.453 -9.387 294 HD21 LEU 50 HD21 LEU 50 22.231 -9.755 -5.911 295 HD22 LEU 50 HD22 LEU 50 23.502 -8.517 -5.831 296 HD23 LEU 50 HD23 LEU 50 23.806 -10.142 -5.226 297 H ASP 51 H ASP 51 25.501 -11.211 -10.765 298 HA ASP 51 HA ASP 51 28.145 -11.041 -9.604 299 HB2 ASP 51 HB2 ASP 51 28.810 -10.584 -12.012 300 HB3 ASP 51 HB3 ASP 51 28.085 -12.162 -11.740 301 H 4HJ 52 H 4HJ 52 28.985 -8.887 -11.467 302 HA 4HJ 52 HA 4HJ 52 27.937 -6.827 -9.754 303 HAA 4HJ 52 HAA 4HJ 52 27.852 -8.868 -7.330 304 HB3 4HJ 52 HB3 4HJ 52 30.006 -5.569 -10.555 305 HB2 4HJ 52 HB2 4HJ 52 30.337 -7.041 -9.635 306 HZ1 4HJ 52 HZ1 4HJ 52 28.365 -11.146 -6.658 307 HZ2 4HJ 52 HZ2 4HJ 52 29.632 -7.188 -7.571 308 HZ 4HJ 52 HZ 4HJ 52 29.986 -12.616 -6.068 309 HJ2 4HJ 52 HJ2 4HJ 52 32.147 -3.424 -12.449 310 HJ3 4HJ 52 HJ3 4HJ 52 30.977 -3.999 -11.277 311 HL12 4HJ 52 HL12 4HJ 52 31.808 -4.771 -9.028 312 HL11 4HJ 52 HL11 4HJ 52 33.468 -4.611 -8.555 313 HL13 4HJ 52 HL13 4HJ 52 32.973 -5.705 -9.914 314 HL22 4HJ 52 HL22 4HJ 52 32.136 -1.605 -10.560 315 HL21 4HJ 52 HL21 4HJ 52 32.955 -1.951 -8.988 316 HL23 4HJ 52 HL23 4HJ 52 31.380 -2.589 -9.350 317 HM 4HJ 52 HM 4HJ 52 35.339 -1.922 -11.609 318 HN 4HJ 52 HN 4HJ 52 35.874 -4.807 -8.767 319 HL3 4HJ 52 HL3 4HJ 52 34.672 -4.055 -11.779 320 HO2 4HJ 52 HO2 4HJ 52 36.061 -2.486 -7.288 321 HO3 4HJ 52 HO3 4HJ 52 34.306 -2.678 -7.595 322 HP2 4HJ 52 HP2 4HJ 52 35.321 -3.607 -5.457 323 HP3 4HJ 52 HP3 4HJ 52 35.879 -4.969 -6.404 324 HS2 4HJ 52 HS2 4HJ 52 32.775 -5.949 -3.966 325 HS3 4HJ 52 HS3 4HJ 52 34.480 -6.502 -4.029 326 HT3 4HJ 52 HT3 4HJ 52 32.871 -8.343 -3.581 327 HT2 4HJ 52 HT2 4HJ 52 32.025 -7.916 -5.057 328 HY2 4HJ 52 HY2 4HJ 52 31.987 -7.789 -7.146 329 HR 4HJ 52 HR 4HJ 52 33.591 -6.626 -6.597 330 H ILE 53 H ILE 53 27.828 -7.991 -12.903 331 HA ILE 53 HA ILE 53 27.333 -5.437 -14.006 332 HB ILE 53 HB ILE 53 28.264 -7.683 -15.127 333 HG12 ILE 53 HG12 ILE 53 28.424 -5.559 -16.133 334 HG13 ILE 53 HG11 ILE 53 27.797 -6.720 -17.303 335 HG21 ILE 53 HG21 ILE 53 25.346 -7.744 -15.918 336 HG22 ILE 53 HG22 ILE 53 26.208 -8.987 -15.012 337 HG23 ILE 53 HG23 ILE 53 26.630 -8.672 -16.695 338 HD11 ILE 53 HD11 ILE 53 25.535 -5.829 -16.927 339 HD12 ILE 53 HD12 ILE 53 26.639 -4.549 -17.487 340 HD13 ILE 53 HD13 ILE 53 26.200 -4.676 -15.778 341 H ARG 54 H ARG 54 25.538 -8.204 -12.930 342 HA ARG 54 HA ARG 54 22.935 -7.224 -13.452 343 HB2 ARG 54 HB2 ARG 54 24.056 -9.148 -11.469 344 HB3 ARG 54 HB3 ARG 54 22.453 -8.500 -11.160 345 HG2 ARG 54 HG2 ARG 54 22.310 -10.626 -12.280 346 HG3 ARG 54 HG3 ARG 54 21.714 -9.343 -13.330 347 HD2 ARG 54 HD2 ARG 54 23.986 -9.307 -14.386 348 HD3 ARG 54 HD3 ARG 54 24.340 -10.763 -13.440 349 HE ARG 54 HE ARG 54 21.929 -10.873 -14.991 350 HH11 ARG 54 HH11 ARG 54 25.347 -11.811 -14.770 351 HH12 ARG 54 HH12 ARG 54 25.339 -12.744 -16.175 352 HH21 ARG 54 HH21 ARG 54 21.877 -12.057 -16.896 353 HH22 ARG 54 HH22 ARG 54 23.233 -12.944 -17.474 354 H LEU 55 H LEU 55 25.071 -6.888 -10.717 355 HA LEU 55 HA LEU 55 23.421 -5.348 -9.099 356 HB2 LEU 55 HB2 LEU 55 25.474 -6.551 -8.429 357 HB3 LEU 55 HB3 LEU 55 26.421 -5.336 -9.261 358 HG LEU 55 HG LEU 55 25.449 -3.643 -7.669 359 HD11 LEU 55 HD11 LEU 55 24.547 -4.487 -5.590 360 HD12 LEU 55 HD12 LEU 55 24.579 -6.122 -6.217 361 HD13 LEU 55 HD13 LEU 55 23.495 -4.913 -6.946 362 HD21 LEU 55 HD21 LEU 55 26.921 -4.272 -5.873 363 HD22 LEU 55 HD22 LEU 55 27.672 -4.583 -7.442 364 HD23 LEU 55 HD23 LEU 55 27.002 -5.913 -6.502 365 H MET 56 H MET 56 26.017 -4.269 -11.406 366 HA MET 56 HA MET 56 25.600 -1.557 -10.894 367 HB2 MET 56 HB2 MET 56 27.109 -3.082 -12.895 368 HB3 MET 56 HB3 MET 56 26.565 -1.506 -13.448 369 HG2 MET 56 HG2 MET 56 28.785 -1.274 -12.624 370 HG3 MET 56 HG3 MET 56 27.706 -0.478 -11.503 371 HE1 MET 56 HE1 MET 56 26.770 -2.989 -9.486 372 HE2 MET 56 HE2 MET 56 27.204 -1.351 -9.103 373 HE3 MET 56 HE3 MET 56 28.016 -2.681 -8.273 374 H ARG 57 H ARG 57 23.967 -3.687 -13.180 375 HA ARG 57 HA ARG 57 22.455 -1.837 -14.680 376 HB2 ARG 57 HB2 ARG 57 21.616 -4.453 -13.543 377 HB3 ARG 57 HB3 ARG 57 20.696 -3.511 -14.701 378 HG2 ARG 57 HG2 ARG 57 22.747 -3.671 -16.185 379 HG3 ARG 57 HG3 ARG 57 23.286 -4.936 -15.068 380 HD2 ARG 57 HD2 ARG 57 20.756 -4.695 -16.442 381 HD3 ARG 57 HD3 ARG 57 22.008 -5.883 -16.929 382 HE ARG 57 HE ARG 57 20.717 -5.902 -14.269 383 HH11 ARG 57 HH11 ARG 57 21.462 -7.793 -17.225 384 HH12 ARG 57 HH12 ARG 57 20.774 -9.227 -16.607 385 HH21 ARG 57 HH21 ARG 57 19.767 -7.916 -13.497 386 HH22 ARG 57 HH22 ARG 57 19.874 -9.294 -14.488 387 H TRP 58 H TRP 58 21.783 -3.479 -11.678 388 HA TRP 58 HA TRP 58 19.287 -2.250 -10.957 389 HB2 TRP 58 HB2 TRP 58 21.356 -3.502 -9.165 390 HB3 TRP 58 HB3 TRP 58 19.663 -3.169 -8.790 391 HD1 TRP 58 HD1 TRP 58 21.352 -6.070 -9.083 392 HE1 TRP 58 HE1 TRP 58 20.179 -7.940 -10.415 393 HE3 TRP 58 HE3 TRP 58 17.867 -3.248 -11.641 394 HZ2 TRP 58 HZ2 TRP 58 18.076 -8.169 -12.301 395 HZ3 TRP 58 HZ3 TRP 58 16.336 -4.379 -13.143 396 HH2 TRP 58 HH2 TRP 58 16.408 -6.776 -13.459 397 H LEU 59 H LEU 59 22.503 -1.425 -10.008 398 HA LEU 59 HA LEU 59 21.989 0.670 -8.323 399 HB2 LEU 59 HB2 LEU 59 24.137 -0.024 -10.161 400 HB3 LEU 59 HB3 LEU 59 24.046 1.674 -9.757 401 HG LEU 59 HG LEU 59 25.583 0.403 -8.385 402 HD11 LEU 59 HD11 LEU 59 23.197 1.511 -6.873 403 HD12 LEU 59 HD12 LEU 59 24.449 2.462 -7.636 404 HD13 LEU 59 HD13 LEU 59 24.863 1.427 -6.262 405 HD21 LEU 59 HD21 LEU 59 24.364 -1.691 -8.333 406 HD22 LEU 59 HD22 LEU 59 23.092 -0.948 -7.381 407 HD23 LEU 59 HD23 LEU 59 24.725 -1.135 -6.693 408 H HIS 60 H HIS 60 22.541 0.990 -11.760 409 HA HIS 60 HA HIS 60 21.947 3.735 -11.808 410 HB2 HIS 60 HB2 HIS 60 23.408 2.664 -13.334 411 HB3 HIS 60 HB3 HIS 60 22.119 1.666 -13.981 412 HD1 HIS 60 HD1 HIS 60 23.671 5.052 -14.366 413 HD2 HIS 60 HD2 HIS 60 20.240 3.087 -15.643 414 HE1 HIS 60 HE1 HIS 60 22.701 6.456 -16.217 415 H TRP 61 H TRP 61 20.072 0.852 -12.378 416 HA TRP 61 HA TRP 61 17.812 1.863 -13.589 417 HB2 TRP 61 HB2 TRP 61 18.446 -0.531 -13.276 418 HB3 TRP 61 HB3 TRP 61 17.988 -0.384 -11.593 419 HD1 TRP 61 HD1 TRP 61 16.264 0.164 -15.038 420 HE1 TRP 61 HE1 TRP 61 13.850 -0.691 -14.851 421 HE3 TRP 61 HE3 TRP 61 16.290 -1.210 -10.147 422 HZ2 TRP 61 HZ2 TRP 61 12.165 -1.822 -12.867 423 HZ3 TRP 61 HZ3 TRP 61 14.246 -2.172 -9.173 424 HH2 TRP 61 HH2 TRP 61 12.234 -2.469 -10.513 425 H PHE 62 H PHE 62 18.311 1.331 -10.079 426 HA PHE 62 HA PHE 62 16.026 2.999 -9.697 427 HB2 PHE 62 HB2 PHE 62 16.737 2.639 -7.085 428 HB3 PHE 62 HB3 PHE 62 15.642 1.607 -7.981 429 HD1 PHE 62 HD1 PHE 62 19.144 2.032 -6.959 430 HD2 PHE 62 HD2 PHE 62 16.089 -0.572 -8.270 431 HE1 PHE 62 HE1 PHE 62 20.631 0.064 -6.545 432 HE2 PHE 62 HE2 PHE 62 17.512 -2.514 -7.884 433 HZ PHE 62 HZ PHE 62 19.763 -2.229 -7.088 434 H ARG 63 H ARG 63 19.381 3.576 -9.650 435 HA ARG 63 HA ARG 63 19.347 5.970 -8.178 436 HB2 ARG 63 HB2 ARG 63 21.086 5.171 -10.506 437 HB3 ARG 63 HB3 ARG 63 21.229 6.747 -9.757 438 HG2 ARG 63 HG2 ARG 63 21.662 4.095 -8.386 439 HG3 ARG 63 HG3 ARG 63 22.923 5.189 -8.945 440 HD2 ARG 63 HD2 ARG 63 20.895 5.698 -6.768 441 HD3 ARG 63 HD3 ARG 63 22.627 5.466 -6.571 442 HE ARG 63 HE ARG 63 21.464 7.740 -8.015 443 HH11 ARG 63 HH11 ARG 63 23.854 6.499 -5.674 444 HH12 ARG 63 HH12 ARG 63 24.502 8.004 -5.288 445 HH21 ARG 63 HH21 ARG 63 22.372 9.858 -7.486 446 HH22 ARG 63 HH22 ARG 63 23.641 9.991 -6.361 447 H LYS 64 H LYS 64 18.532 5.401 -11.594 448 HA LYS 64 HA LYS 64 17.936 8.167 -11.858 449 HB2 LYS 64 HB2 LYS 64 17.085 7.670 -14.171 450 HB3 LYS 64 HB3 LYS 64 18.748 7.231 -13.884 451 HG2 LYS 64 HG2 LYS 64 17.648 5.563 -15.241 452 HG3 LYS 64 HG3 LYS 64 18.105 4.904 -13.666 453 HD2 LYS 64 HD2 LYS 64 15.876 4.107 -14.169 454 HD3 LYS 64 HD3 LYS 64 15.879 5.341 -12.889 455 HE2 LYS 64 HE2 LYS 64 15.124 7.035 -14.437 456 HE3 LYS 64 HE3 LYS 64 15.147 5.870 -15.764 457 HZ1 LYS 64 HZ1 LYS 64 13.410 4.639 -14.735 458 HZ2 LYS 64 HZ2 LYS 64 12.898 6.270 -14.676 459 HZ3 LYS 64 HZ3 LYS 64 13.542 5.507 -13.320 460 H ASN 65 H ASN 65 16.270 5.791 -10.398 461 HA ASN 65 HA ASN 65 13.669 6.976 -10.926 462 HB2 ASN 65 HB2 ASN 65 14.457 4.808 -8.949 463 HB3 ASN 65 HB3 ASN 65 12.817 5.390 -9.166 464 HD21 ASN 65 HD21 ASN 65 13.610 2.680 -9.400 465 HD22 ASN 65 HD22 ASN 65 13.396 2.206 -11.017 466 H GLY 66 H GLY 66 16.335 7.435 -8.913 467 HA2 GLY 66 HA2 GLY 66 16.405 9.549 -7.739 468 HA3 GLY 66 HA3 GLY 66 14.738 9.272 -7.263 469 H TYR 67 H TYR 67 16.494 6.375 -7.039 470 HA TYR 67 HA TYR 67 16.399 6.600 -4.182 471 HB2 TYR 67 HB2 TYR 67 17.222 4.330 -5.985 472 HB3 TYR 67 HB3 TYR 67 17.125 4.223 -4.230 473 HD1 TYR 67 HD2 TYR 67 14.896 4.560 -3.129 474 HD2 TYR 67 HD1 TYR 67 15.265 4.082 -7.299 475 HE1 TYR 67 HE2 TYR 67 12.523 3.982 -3.248 476 HE2 TYR 67 HE1 TYR 67 12.873 3.506 -7.456 477 HH TYR 67 HH TYR 67 11.182 2.556 -5.965 478 H ARG 68 H ARG 68 18.057 6.482 -2.790 479 HA ARG 68 HA ARG 68 20.475 7.764 -3.841 480 HB2 ARG 68 HB2 ARG 68 19.525 7.538 -0.985 481 HB3 ARG 68 HB3 ARG 68 20.754 8.629 -1.606 482 HG2 ARG 68 HG2 ARG 68 19.116 9.910 -2.808 483 HG3 ARG 68 HG3 ARG 68 17.860 8.730 -2.450 484 HD2 ARG 68 HD2 ARG 68 18.129 9.283 -0.024 485 HD3 ARG 68 HD3 ARG 68 19.257 10.556 -0.488 486 HE ARG 68 HE ARG 68 17.173 11.195 -1.964 487 HH11 ARG 68 HH11 ARG 68 17.232 10.312 1.501 488 HH12 ARG 68 HH12 ARG 68 15.904 11.205 1.939 489 HH21 ARG 68 HH21 ARG 68 15.260 12.482 -1.358 490 HH22 ARG 68 HH22 ARG 68 14.735 12.485 0.262 491 H LEU 69 H LEU 69 21.618 5.855 -4.512 492 HA LEU 69 HA LEU 69 22.763 4.238 -2.287 493 HB2 LEU 69 HB2 LEU 69 21.802 3.092 -4.874 494 HB3 LEU 69 HB3 LEU 69 22.657 2.248 -3.603 495 HG LEU 69 HG LEU 69 19.907 3.449 -3.274 496 HD11 LEU 69 HD11 LEU 69 19.900 1.500 -4.770 497 HD12 LEU 69 HD12 LEU 69 19.101 1.177 -3.231 498 HD13 LEU 69 HD13 LEU 69 20.731 0.569 -3.519 499 HD21 LEU 69 HD21 LEU 69 21.512 1.670 -1.446 500 HD22 LEU 69 HD22 LEU 69 19.879 2.343 -1.187 501 HD23 LEU 69 HD23 LEU 69 21.256 3.411 -1.251 502 H THR 70 H THR 70 24.577 3.900 -2.144 503 HA THR 70 HA THR 70 26.403 4.568 -4.320 504 HB THR 70 HB THR 70 27.101 4.054 -1.440 505 HG1 THR 70 HG1 THR 70 25.649 5.654 -1.243 506 HG21 THR 70 HG21 THR 70 28.969 5.585 -1.943 507 HG22 THR 70 HG22 THR 70 28.343 5.805 -3.576 508 HG23 THR 70 HG23 THR 70 28.935 4.224 -3.065 509 H LEU 71 H LEU 71 27.936 3.011 -4.757 510 HA LEU 71 HA LEU 71 27.031 0.452 -5.210 511 HB2 LEU 71 HB2 LEU 71 29.895 1.375 -5.087 512 HB3 LEU 71 HB3 LEU 71 29.316 -0.150 -5.736 513 HG LEU 71 HG LEU 71 29.870 1.412 -7.546 514 HD11 LEU 71 HD11 LEU 71 27.761 1.252 -8.796 515 HD12 LEU 71 HD12 LEU 71 26.972 0.873 -7.260 516 HD13 LEU 71 HD13 LEU 71 28.191 -0.219 -7.916 517 HD21 LEU 71 HD21 LEU 71 29.377 3.567 -6.427 518 HD22 LEU 71 HD22 LEU 71 27.657 3.182 -6.470 519 HD23 LEU 71 HD23 LEU 71 28.535 3.431 -7.975 520 H ARG 72 H ARG 72 29.067 1.516 -2.593 521 HA ARG 72 HA ARG 72 29.741 -1.094 -1.613 522 HB2 ARG 72 HB2 ARG 72 31.228 0.804 -1.256 523 HB3 ARG 72 HB3 ARG 72 29.981 1.650 -0.359 524 HG2 ARG 72 HG2 ARG 72 31.678 0.725 1.115 525 HG3 ARG 72 HG3 ARG 72 30.093 -0.004 1.399 526 HD2 ARG 72 HD2 ARG 72 30.771 -1.949 0.027 527 HD3 ARG 72 HD3 ARG 72 32.364 -1.226 -0.177 528 HE ARG 72 HE ARG 72 32.789 -1.571 2.110 529 HH11 ARG 72 HH11 ARG 72 29.663 -2.916 1.168 530 HH12 ARG 72 HH12 ARG 72 29.676 -4.223 2.231 531 HH21 ARG 72 HH21 ARG 72 32.821 -3.375 3.720 532 HH22 ARG 72 HH22 ARG 72 31.516 -4.464 3.762 533 H GLU 73 H GLU 73 26.925 0.871 -1.213 534 HA GLU 73 HA GLU 73 26.274 -0.151 1.378 535 HB2 GLU 73 HB2 GLU 73 24.573 1.355 -0.615 536 HB3 GLU 73 HB3 GLU 73 24.218 1.126 1.096 537 HG2 GLU 73 HG2 GLU 73 26.193 2.403 1.703 538 HG3 GLU 73 HG3 GLU 73 26.601 2.602 0.003 539 H LEU 74 H LEU 74 25.602 -0.939 -1.939 540 HA LEU 74 HA LEU 74 23.507 -2.821 -1.496 541 HB2 LEU 74 HB2 LEU 74 25.537 -2.705 -3.763 542 HB3 LEU 74 HB3 LEU 74 24.142 -3.748 -3.719 543 HG LEU 74 HG LEU 74 23.669 -1.987 -5.182 544 HD11 LEU 74 HD11 LEU 74 21.717 -0.970 -4.273 545 HD12 LEU 74 HD12 LEU 74 22.231 -1.371 -2.635 546 HD13 LEU 74 HD13 LEU 74 21.825 -2.659 -3.776 547 HD21 LEU 74 HD21 LEU 74 23.779 0.370 -4.617 548 HD22 LEU 74 HD22 LEU 74 25.366 -0.388 -4.399 549 HD23 LEU 74 HD23 LEU 74 24.351 -0.036 -3.003 550 H TYR 75 H TYR 75 26.911 -2.870 -1.460 551 HA TYR 75 HA TYR 75 27.268 -5.723 -1.146 552 HB2 TYR 75 HB2 TYR 75 29.041 -3.341 -0.964 553 HB3 TYR 75 HB3 TYR 75 29.659 -4.924 -0.612 554 HD1 TYR 75 HD1 TYR 75 28.295 -6.461 -2.785 555 HD2 TYR 75 HD2 TYR 75 30.154 -2.679 -2.746 556 HE1 TYR 75 HE1 TYR 75 28.909 -6.770 -5.147 557 HE2 TYR 75 HE2 TYR 75 30.775 -2.924 -5.114 558 HH TYR 75 HH TYR 75 31.133 -4.617 -6.701 559 H ALA 76 H ALA 76 26.178 -3.345 0.913 560 HA ALA 76 HA ALA 76 27.832 -4.182 3.052 561 HB1 ALA 76 HB1 ALA 76 25.536 -2.213 3.109 562 HB2 ALA 76 HB2 ALA 76 27.249 -1.820 2.963 563 HB3 ALA 76 HB3 ALA 76 26.628 -2.522 4.459 564 H ALA 77 H ALA 77 24.357 -4.083 2.381 565 HA ALA 77 HA ALA 77 24.085 -6.614 3.799 566 HB1 ALA 77 HB1 ALA 77 21.904 -5.887 4.679 567 HB2 ALA 77 HB2 ALA 77 22.147 -4.292 3.968 568 HB3 ALA 77 HB3 ALA 77 23.202 -4.847 5.269 569 HA PRO 78 HA PRO 78 22.377 -6.809 -0.392 570 HB2 PRO 78 HB2 PRO 78 23.636 -9.329 -0.819 571 HB3 PRO 78 HB3 PRO 78 24.107 -7.765 -1.509 572 HG2 PRO 78 HG2 PRO 78 25.616 -9.196 0.305 573 HG3 PRO 78 HG3 PRO 78 25.780 -7.463 -0.036 574 HD2 PRO 78 HD2 PRO 78 24.412 -8.799 2.246 575 HD3 PRO 78 HD3 PRO 78 25.317 -7.270 2.192 576 H THR 79 H THR 79 20.402 -7.091 0.728 577 HA THR 79 HA THR 79 19.185 -9.621 0.105 578 HB THR 79 HB THR 79 17.815 -9.454 2.256 579 HG1 THR 79 HG1 THR 79 19.401 -8.322 3.901 580 HG21 THR 79 HG21 THR 79 20.757 -9.961 2.707 581 HG22 THR 79 HG22 THR 79 19.581 -11.142 2.133 582 HG23 THR 79 HG23 THR 79 19.453 -10.490 3.767 583 H LEU 80 H LEU 80 16.954 -9.077 -0.604 584 HA LEU 80 HA LEU 80 16.927 -6.331 -1.359 585 HB2 LEU 80 HB2 LEU 80 14.857 -8.443 -1.863 586 HB3 LEU 80 HB3 LEU 80 14.941 -6.831 -2.581 587 HG LEU 80 HG LEU 80 17.084 -8.857 -2.860 588 HD11 LEU 80 HD11 LEU 80 16.183 -9.179 -5.140 589 HD12 LEU 80 HD12 LEU 80 14.907 -8.028 -4.739 590 HD13 LEU 80 HD13 LEU 80 14.974 -9.591 -3.908 591 HD21 LEU 80 HD21 LEU 80 17.828 -6.589 -3.199 592 HD22 LEU 80 HD22 LEU 80 16.479 -6.298 -4.299 593 HD23 LEU 80 HD23 LEU 80 17.753 -7.423 -4.753 594 H ALA 81 H ALA 81 15.507 -8.330 0.878 595 HA ALA 81 HA ALA 81 13.496 -6.775 2.019 596 HB1 ALA 81 HB1 ALA 81 13.981 -7.880 4.157 597 HB2 ALA 81 HB2 ALA 81 15.540 -8.414 3.528 598 HB3 ALA 81 HB3 ALA 81 14.048 -9.031 2.821 599 H ALA 82 H ALA 82 17.023 -6.560 2.626 600 HA ALA 82 HA ALA 82 16.712 -4.193 4.279 601 HB1 ALA 82 HB1 ALA 82 18.551 -5.783 4.713 602 HB2 ALA 82 HB2 ALA 82 19.147 -4.159 4.370 603 HB3 ALA 82 HB3 ALA 82 19.227 -5.410 3.129 604 H TRP 83 H TRP 83 17.393 -4.935 0.940 605 HA TRP 83 HA TRP 83 18.221 -2.359 0.288 606 HB2 TRP 83 HB2 TRP 83 16.995 -4.455 -1.509 607 HB3 TRP 83 HB3 TRP 83 17.500 -2.890 -2.087 608 HD1 TRP 83 HD1 TRP 83 19.890 -4.233 0.470 609 HE1 TRP 83 HE1 TRP 83 22.008 -5.091 -0.663 610 HE3 TRP 83 HE3 TRP 83 18.281 -4.122 -4.367 611 HZ2 TRP 83 HZ2 TRP 83 22.891 -5.690 -3.311 612 HZ3 TRP 83 HZ3 TRP 83 19.818 -4.855 -6.140 613 HH2 TRP 83 HH2 TRP 83 22.069 -5.621 -5.615 614 H ASN 84 H ASN 84 15.062 -3.662 0.830 615 HA ASN 84 HA ASN 84 13.455 -1.670 -0.301 616 HB2 ASN 84 HB2 ASN 84 12.444 -3.609 0.845 617 HB3 ASN 84 HB3 ASN 84 13.076 -3.051 2.387 618 HD21 ASN 84 HD21 ASN 84 12.016 -1.307 3.470 619 HD22 ASN 84 HD22 ASN 84 10.488 -0.741 2.989 620 H GLN 85 H GLN 85 15.152 -1.689 2.785 621 HA GLN 85 HA GLN 85 14.365 0.908 3.619 622 HB2 GLN 85 HB2 GLN 85 16.771 -0.759 4.369 623 HB3 GLN 85 HB3 GLN 85 16.265 0.702 5.216 624 HG2 GLN 85 HG2 GLN 85 14.865 -1.951 5.052 625 HG3 GLN 85 HG3 GLN 85 15.561 -1.178 6.476 626 HE21 GLN 85 HE21 GLN 85 14.545 0.715 7.268 627 HE22 GLN 85 HE22 GLN 85 12.862 0.978 7.020 628 H LEU 86 H LEU 86 17.195 -0.411 2.023 629 HA LEU 86 HA LEU 86 18.642 1.947 1.736 630 HB2 LEU 86 HB2 LEU 86 18.656 -0.543 0.070 631 HB3 LEU 86 HB3 LEU 86 19.785 0.751 -0.166 632 HG LEU 86 HG LEU 86 19.549 -0.805 2.406 633 HD11 LEU 86 HD11 LEU 86 21.662 -1.807 1.712 634 HD12 LEU 86 HD12 LEU 86 21.587 -0.894 0.199 635 HD13 LEU 86 HD13 LEU 86 20.390 -2.149 0.531 636 HD21 LEU 86 HD21 LEU 86 20.379 1.480 2.719 637 HD22 LEU 86 HD22 LEU 86 21.567 1.209 1.438 638 HD23 LEU 86 HD23 LEU 86 21.671 0.295 2.940 639 H MET 87 H MET 87 16.002 0.702 -0.094 640 HA MET 87 HA MET 87 16.372 2.615 -2.186 641 HB2 MET 87 HB2 MET 87 14.152 0.643 -1.627 642 HB3 MET 87 HB3 MET 87 14.131 1.754 -2.991 643 HG2 MET 87 HG2 MET 87 16.059 0.742 -3.959 644 HG3 MET 87 HG3 MET 87 16.375 -0.189 -2.502 645 HE1 MET 87 HE1 MET 87 14.114 0.209 -5.708 646 HE2 MET 87 HE2 MET 87 12.909 0.349 -4.421 647 HE3 MET 87 HE3 MET 87 12.930 -1.066 -5.461 648 H LEU 88 H LEU 88 13.781 2.179 0.246 649 HA LEU 88 HA LEU 88 12.862 4.752 -0.620 650 HB2 LEU 88 HB2 LEU 88 10.816 4.273 0.650 651 HB3 LEU 88 HB3 LEU 88 11.202 3.326 -0.771 652 HG LEU 88 HG LEU 88 12.044 1.556 0.825 653 HD11 LEU 88 HD11 LEU 88 11.180 1.609 3.087 654 HD12 LEU 88 HD12 LEU 88 10.447 3.193 2.761 655 HD13 LEU 88 HD13 LEU 88 12.201 3.021 2.742 656 HD21 LEU 88 HD21 LEU 88 9.784 0.724 1.094 657 HD22 LEU 88 HD22 LEU 88 10.089 1.539 -0.475 658 HD23 LEU 88 HD23 LEU 88 9.202 2.384 0.786 659 H SER 89 H SER 89 14.446 3.680 2.220 660 HA SER 89 HA SER 89 13.264 5.771 3.826 661 HB2 SER 89 HB2 SER 89 15.572 3.947 4.426 662 HB3 SER 89 HB3 SER 89 14.758 4.996 5.576 663 HG SER 89 HG SER 89 13.975 3.032 5.799 664 H ARG 90 H ARG 90 16.290 5.210 2.202 665 HA ARG 90 HA ARG 90 18.308 6.210 3.344 666 HB2 ARG 90 HB2 ARG 90 17.741 7.313 0.649 667 HB3 ARG 90 HB3 ARG 90 19.308 7.303 1.450 668 HG2 ARG 90 HG2 ARG 90 17.626 5.052 0.655 669 HG3 ARG 90 HG3 ARG 90 19.188 5.498 -0.091 670 HD2 ARG 90 HD2 ARG 90 18.528 4.128 2.509 671 HD3 ARG 90 HD3 ARG 90 19.635 3.632 1.242 672 HE ARG 90 HE ARG 90 20.115 5.322 3.489 673 HH11 ARG 90 HH11 ARG 90 21.404 4.783 0.199 674 HH12 ARG 90 HH12 ARG 90 23.014 4.691 0.764 675 HH21 ARG 90 HH21 ARG 90 22.313 5.161 4.157 676 HH22 ARG 90 HH22 ARG 90 23.547 4.909 2.938 677 H SER 91 H SER 91 17.501 7.303 4.916 678 HA SER 91 HA SER 91 18.365 10.049 4.873 679 HB2 SER 91 HB2 SER 91 15.488 9.736 5.927 680 HB3 SER 91 HB3 SER 91 16.396 11.199 5.642 681 HG SER 91 HG SER 91 15.392 9.388 3.758 682 HA PRO 92 HA PRO 92 18.468 8.490 9.305 683 HB2 PRO 92 HB2 PRO 92 16.640 6.687 10.260 684 HB3 PRO 92 HB3 PRO 92 16.303 8.425 10.169 685 HG2 PRO 92 HG2 PRO 92 15.050 6.316 8.680 686 HG3 PRO 92 HG3 PRO 92 14.688 8.050 8.660 687 HD2 PRO 92 HD2 PRO 92 16.316 6.458 6.795 688 HD3 PRO 92 HD3 PRO 92 15.488 7.996 6.516 689 H GLU 93 H GLU 93 18.474 6.543 6.755 690 HA GLU 93 HA GLU 93 20.037 4.378 7.814 691 HB2 GLU 93 HB2 GLU 93 17.555 4.057 6.053 692 HB3 GLU 93 HB3 GLU 93 18.654 2.768 6.505 693 HG2 GLU 93 HG2 GLU 93 17.902 2.842 8.786 694 HG3 GLU 93 HG3 GLU 93 16.974 4.307 8.483 Start of MODEL 5 1 H ASP 14 HT1 ASP 14 3.746 8.266 1.265 2 HA ASP 14 HA ASP 14 4.758 6.431 2.576 3 HB2 ASP 14 HB2 ASP 14 4.276 4.151 1.768 4 HB3 ASP 14 HB3 ASP 14 2.780 4.908 2.319 5 H ASN 15 H ASN 15 6.013 4.570 0.879 6 HA ASN 15 HA ASN 15 6.973 6.299 -1.290 7 HB2 ASN 15 HB2 ASN 15 8.707 5.743 0.483 8 HB3 ASN 15 HB3 ASN 15 8.483 4.044 0.090 9 HD21 ASN 15 HD21 ASN 15 10.921 5.574 -0.098 10 HD22 ASN 15 HD22 ASN 15 11.405 5.515 -1.749 11 H ARG 16 H ARG 16 6.188 5.668 -3.099 12 HA ARG 16 HA ARG 16 4.860 3.153 -3.358 13 HB2 ARG 16 HB2 ARG 16 5.391 5.223 -5.485 14 HB3 ARG 16 HB3 ARG 16 4.219 3.915 -5.567 15 HG2 ARG 16 HG2 ARG 16 4.170 6.254 -3.681 16 HG3 ARG 16 HG3 ARG 16 3.091 6.007 -5.065 17 HD2 ARG 16 HD2 ARG 16 3.262 4.365 -2.531 18 HD3 ARG 16 HD3 ARG 16 1.947 5.428 -3.008 19 HE ARG 16 HE ARG 16 1.885 3.771 -5.009 20 HH11 ARG 16 HH11 ARG 16 2.402 2.989 -1.577 21 HH12 ARG 16 HH12 ARG 16 1.632 1.500 -1.611 22 HH21 ARG 16 HH21 ARG 16 0.801 1.637 -5.100 23 HH22 ARG 16 HH22 ARG 16 0.696 0.696 -3.680 24 H HIS 17 H HIS 17 8.041 4.125 -3.850 25 HA HIS 17 HA HIS 17 8.587 2.319 -5.986 26 HB2 HIS 17 HB2 HIS 17 10.437 3.903 -4.235 27 HB3 HIS 17 HB3 HIS 17 10.989 2.858 -5.548 28 HD1 HIS 17 HD1 HIS 17 10.987 6.165 -5.218 29 HD2 HIS 17 HD2 HIS 17 8.816 3.721 -7.770 30 HE1 HIS 17 HE1 HIS 17 10.341 7.620 -7.190 31 H ALA 18 H ALA 18 8.321 2.045 -2.627 32 HA ALA 18 HA ALA 18 9.929 -0.206 -2.248 33 HB1 ALA 18 HB1 ALA 18 7.365 0.564 -0.864 34 HB2 ALA 18 HB2 ALA 18 9.032 1.028 -0.442 35 HB3 ALA 18 HB3 ALA 18 8.536 -0.663 -0.325 36 H ALA 19 H ALA 19 6.976 0.306 -3.967 37 HA ALA 19 HA ALA 19 6.246 -2.508 -4.180 38 HB1 ALA 19 HB1 ALA 19 5.146 -0.091 -5.627 39 HB2 ALA 19 HB2 ALA 19 4.477 -0.781 -4.149 40 HB3 ALA 19 HB3 ALA 19 4.459 -1.715 -5.645 41 H ASP 20 H ASP 20 8.135 -0.133 -5.928 42 HA ASP 20 HA ASP 20 8.241 -1.533 -8.412 43 HB2 ASP 20 HB2 ASP 20 8.879 0.934 -8.069 44 HB3 ASP 20 HB3 ASP 20 10.374 0.371 -7.340 45 H TYR 21 H TYR 21 9.860 -1.611 -5.441 46 HA TYR 21 HA TYR 21 12.029 -3.450 -5.563 47 HB2 TYR 21 HB2 TYR 21 11.456 -2.276 -3.565 48 HB3 TYR 21 HB3 TYR 21 9.822 -2.900 -3.597 49 HD1 TYR 21 HD1 TYR 21 13.345 -3.776 -3.028 50 HD2 TYR 21 HD2 TYR 21 9.285 -4.908 -2.537 51 HE1 TYR 21 HE1 TYR 21 14.019 -5.509 -1.464 52 HE2 TYR 21 HE2 TYR 21 9.943 -6.667 -0.968 53 HH TYR 21 HH TYR 21 12.987 -6.746 0.406 54 H GLN 22 H GLN 22 8.579 -4.104 -5.900 55 HA GLN 22 HA GLN 22 8.894 -6.891 -5.583 56 HB2 GLN 22 HB2 GLN 22 6.690 -5.838 -5.308 57 HB3 GLN 22 HB3 GLN 22 6.704 -5.322 -6.983 58 HG2 GLN 22 HG2 GLN 22 6.843 -8.228 -6.270 59 HG3 GLN 22 HG3 GLN 22 5.313 -7.350 -6.291 60 HE21 GLN 22 HE21 GLN 22 6.650 -9.527 -8.037 61 HE22 GLN 22 HE22 GLN 22 6.356 -8.948 -9.630 62 H GLN 23 H GLN 23 8.954 -4.738 -8.392 63 HA GLN 23 HA GLN 23 9.321 -6.812 -10.268 64 HB2 GLN 23 HB2 GLN 23 10.288 -3.961 -10.437 65 HB3 GLN 23 HB3 GLN 23 10.333 -5.112 -11.754 66 HG2 GLN 23 HG2 GLN 23 7.816 -5.221 -11.531 67 HG3 GLN 23 HG3 GLN 23 7.962 -3.805 -10.482 68 HE21 GLN 23 HE21 GLN 23 8.892 -1.840 -11.388 69 HE22 GLN 23 HE22 GLN 23 8.781 -1.586 -13.070 70 H LEU 24 H LEU 24 11.501 -4.879 -8.350 71 HA LEU 24 HA LEU 24 14.018 -5.602 -9.321 72 HB2 LEU 24 HB2 LEU 24 13.285 -4.034 -7.359 73 HB3 LEU 24 HB3 LEU 24 13.389 -5.458 -6.367 74 HG LEU 24 HG LEU 24 15.661 -4.072 -7.796 75 HD11 LEU 24 HD11 LEU 24 16.432 -3.597 -5.517 76 HD12 LEU 24 HD12 LEU 24 14.967 -4.343 -4.886 77 HD13 LEU 24 HD13 LEU 24 14.860 -2.885 -5.871 78 HD21 LEU 24 HD21 LEU 24 17.166 -5.628 -6.626 79 HD22 LEU 24 HD22 LEU 24 16.100 -6.491 -7.734 80 HD23 LEU 24 HD23 LEU 24 15.769 -6.507 -6.002 81 H ARG 25 H ARG 25 12.005 -7.246 -6.876 82 HA ARG 25 HA ARG 25 13.571 -9.353 -6.199 83 HB2 ARG 25 HB2 ARG 25 11.515 -8.392 -5.149 84 HB3 ARG 25 HB3 ARG 25 10.578 -9.189 -6.398 85 HG2 ARG 25 HG2 ARG 25 11.384 -11.305 -5.665 86 HG3 ARG 25 HG3 ARG 25 12.361 -10.477 -4.426 87 HD2 ARG 25 HD2 ARG 25 10.295 -9.548 -3.462 88 HD3 ARG 25 HD3 ARG 25 9.344 -10.453 -4.639 89 HE ARG 25 HE ARG 25 10.644 -11.473 -2.249 90 HH11 ARG 25 HH11 ARG 25 9.281 -12.426 -5.428 91 HH12 ARG 25 HH12 ARG 25 8.775 -13.932 -4.839 92 HH21 ARG 25 HH21 ARG 25 10.008 -13.498 -1.538 93 HH22 ARG 25 HH22 ARG 25 9.208 -14.600 -2.542 94 H GLU 26 H GLU 26 10.780 -9.419 -8.437 95 HA GLU 26 HA GLU 26 11.389 -11.993 -9.359 96 HB2 GLU 26 HB2 GLU 26 9.403 -9.945 -10.118 97 HB3 GLU 26 HB3 GLU 26 9.697 -11.272 -11.234 98 HG2 GLU 26 HG2 GLU 26 7.860 -11.812 -9.808 99 HG3 GLU 26 HG3 GLU 26 9.196 -12.883 -9.472 100 H ARG 27 H ARG 27 12.520 -8.942 -10.400 101 HA ARG 27 HA ARG 27 13.363 -9.891 -12.955 102 HB2 ARG 27 HB2 ARG 27 14.018 -7.304 -11.607 103 HB3 ARG 27 HB3 ARG 27 14.590 -7.748 -13.214 104 HG2 ARG 27 HG2 ARG 27 12.183 -8.172 -13.837 105 HG3 ARG 27 HG3 ARG 27 11.748 -7.414 -12.309 106 HD2 ARG 27 HD2 ARG 27 12.997 -5.414 -13.035 107 HD3 ARG 27 HD3 ARG 27 13.235 -6.233 -14.590 108 HE ARG 27 HE ARG 27 10.791 -5.039 -13.591 109 HH11 ARG 27 HH11 ARG 27 12.106 -7.346 -15.968 110 HH12 ARG 27 HH12 ARG 27 10.830 -7.160 -17.068 111 HH21 ARG 27 HH21 ARG 27 9.022 -4.811 -15.058 112 HH22 ARG 27 HH22 ARG 27 8.991 -5.651 -16.539 113 H LEU 28 H LEU 28 14.721 -10.027 -9.878 114 HA LEU 28 HA LEU 28 17.385 -10.618 -10.672 115 HB2 LEU 28 HB2 LEU 28 15.710 -11.748 -8.401 116 HB3 LEU 28 HB3 LEU 28 17.435 -11.985 -8.563 117 HG LEU 28 HG LEU 28 16.188 -9.253 -8.199 118 HD11 LEU 28 HD11 LEU 28 17.291 -11.144 -6.127 119 HD12 LEU 28 HD12 LEU 28 15.610 -10.613 -6.286 120 HD13 LEU 28 HD13 LEU 28 16.868 -9.455 -5.857 121 HD21 LEU 28 HD21 LEU 28 18.433 -8.629 -7.493 122 HD22 LEU 28 HD22 LEU 28 18.458 -9.278 -9.116 123 HD23 LEU 28 HD23 LEU 28 18.997 -10.278 -7.764 124 H ILE 29 H ILE 29 14.418 -12.429 -10.349 125 HA ILE 29 HA ILE 29 15.262 -15.031 -10.775 126 HB ILE 29 HB ILE 29 12.667 -13.644 -10.820 127 HG12 ILE 29 HG12 ILE 29 12.054 -15.381 -9.298 128 HG13 ILE 29 HG11 ILE 29 13.530 -16.266 -9.659 129 HG21 ILE 29 HG21 ILE 29 11.359 -15.548 -11.619 130 HG22 ILE 29 HG22 ILE 29 12.846 -16.352 -12.121 131 HG23 ILE 29 HG23 ILE 29 12.355 -14.845 -12.895 132 HD11 ILE 29 HD11 ILE 29 13.697 -15.034 -7.560 133 HD12 ILE 29 HD12 ILE 29 13.399 -13.535 -8.493 134 HD13 ILE 29 HD13 ILE 29 14.846 -14.494 -8.807 135 H GLN 30 H GLN 30 14.255 -12.695 -13.155 136 HA GLN 30 HA GLN 30 14.110 -14.475 -15.299 137 HB2 GLN 30 HB2 GLN 30 14.385 -12.498 -16.761 138 HB3 GLN 30 HB3 GLN 30 13.145 -12.322 -15.518 139 HG2 GLN 30 HG2 GLN 30 14.564 -10.995 -14.178 140 HG3 GLN 30 HG3 GLN 30 15.927 -11.257 -15.235 141 HE21 GLN 30 HE21 GLN 30 16.016 -10.213 -17.215 142 HE22 GLN 30 HE22 GLN 30 15.051 -8.843 -17.616 143 H GLU 31 H GLU 31 16.938 -12.839 -13.941 144 HA GLU 31 HA GLU 31 18.592 -13.852 -16.093 145 HB2 GLU 31 HB2 GLU 31 19.487 -12.461 -13.574 146 HB3 GLU 31 HB3 GLU 31 20.438 -12.737 -15.027 147 HG2 GLU 31 HG2 GLU 31 18.564 -11.371 -16.188 148 HG3 GLU 31 HG3 GLU 31 18.228 -10.871 -14.519 149 H LEU 32 H LEU 32 17.707 -14.629 -12.854 150 HA LEU 32 HA LEU 32 19.854 -16.418 -12.428 151 HB2 LEU 32 HB2 LEU 32 17.305 -15.968 -10.849 152 HB3 LEU 32 HB3 LEU 32 18.639 -16.988 -10.350 153 HG LEU 32 HG LEU 32 18.651 -14.040 -10.767 154 HD11 LEU 32 HD11 LEU 32 19.136 -13.924 -8.365 155 HD12 LEU 32 HD12 LEU 32 18.933 -15.676 -8.260 156 HD13 LEU 32 HD13 LEU 32 17.568 -14.650 -8.720 157 HD21 LEU 32 HD21 LEU 32 20.948 -15.849 -10.063 158 HD22 LEU 32 HD22 LEU 32 20.956 -14.104 -9.838 159 HD23 LEU 32 HD23 LEU 32 20.771 -14.767 -11.455 160 H ASN 33 H ASN 33 16.876 -16.611 -14.031 161 HA ASN 33 HA ASN 33 15.531 -18.219 -14.886 162 HB2 ASN 33 HB2 ASN 33 17.795 -18.870 -15.934 163 HB3 ASN 33 HB3 ASN 33 17.963 -20.063 -14.655 164 HD21 ASN 33 HD21 ASN 33 16.613 -21.882 -14.708 165 HD22 ASN 33 HD22 ASN 33 15.779 -22.374 -16.152 166 H LEU 34 H LEU 34 15.250 -17.768 -12.358 167 HA LEU 34 HA LEU 34 15.285 -20.269 -10.792 168 HB2 LEU 34 HB2 LEU 34 16.843 -18.437 -10.186 169 HB3 LEU 34 HB3 LEU 34 15.473 -17.385 -9.959 170 HG LEU 34 HG LEU 34 14.746 -18.873 -8.090 171 HD11 LEU 34 HD11 LEU 34 16.426 -20.394 -7.152 172 HD12 LEU 34 HD12 LEU 34 17.468 -20.093 -8.544 173 HD13 LEU 34 HD13 LEU 34 15.916 -20.900 -8.762 174 HD21 LEU 34 HD21 LEU 34 15.952 -16.772 -7.808 175 HD22 LEU 34 HD22 LEU 34 17.485 -17.642 -7.882 176 HD23 LEU 34 HD23 LEU 34 16.363 -17.938 -6.546 177 H THR 35 H THR 35 13.532 -20.007 -8.893 178 HA THR 35 HA THR 35 11.140 -18.910 -10.055 179 HB THR 35 HB THR 35 10.089 -20.314 -8.155 180 HG1 THR 35 HG1 THR 35 11.725 -22.167 -7.779 181 HG21 THR 35 HG21 THR 35 10.226 -22.406 -9.447 182 HG22 THR 35 HG22 THR 35 11.594 -21.755 -10.350 183 HG23 THR 35 HG23 THR 35 10.000 -21.017 -10.510 184 HA PRO 36 HA PRO 36 11.513 -15.421 -7.431 185 HB2 PRO 36 HB2 PRO 36 8.661 -15.673 -6.701 186 HB3 PRO 36 HB3 PRO 36 9.557 -14.334 -7.468 187 HG2 PRO 36 HG2 PRO 36 7.914 -15.835 -8.907 188 HG3 PRO 36 HG3 PRO 36 9.444 -15.220 -9.563 189 HD2 PRO 36 HD2 PRO 36 8.779 -17.970 -8.636 190 HD3 PRO 36 HD3 PRO 36 9.794 -17.432 -9.992 191 H GLN 37 H GLN 37 10.237 -18.293 -5.899 192 HA GLN 37 HA GLN 37 10.714 -16.923 -3.383 193 HB2 GLN 37 HB2 GLN 37 8.529 -18.233 -3.768 194 HB3 GLN 37 HB3 GLN 37 9.507 -19.680 -3.515 195 HG2 GLN 37 HG2 GLN 37 8.423 -18.958 -1.437 196 HG3 GLN 37 HG3 GLN 37 10.186 -18.863 -1.317 197 HE21 GLN 37 HE21 GLN 37 10.353 -17.231 0.161 198 HE22 GLN 37 HE22 GLN 37 9.883 -15.609 -0.135 199 H GLN 38 H GLN 38 12.579 -18.605 -5.464 200 HA GLN 38 HA GLN 38 14.000 -19.918 -3.286 201 HB2 GLN 38 HB2 GLN 38 14.239 -20.218 -6.272 202 HB3 GLN 38 HB3 GLN 38 15.396 -20.913 -5.149 203 HG2 GLN 38 HG2 GLN 38 12.453 -21.534 -5.271 204 HG3 GLN 38 HG3 GLN 38 13.754 -22.557 -5.869 205 HE21 GLN 38 HE21 GLN 38 15.478 -21.933 -3.530 206 HE22 GLN 38 HE22 GLN 38 14.782 -22.827 -2.226 207 H LEU 39 H LEU 39 13.863 -17.000 -4.093 208 HA LEU 39 HA LEU 39 16.698 -16.584 -4.431 209 HB2 LEU 39 HB2 LEU 39 16.250 -14.181 -4.717 210 HB3 LEU 39 HB3 LEU 39 15.439 -15.161 -5.902 211 HG LEU 39 HG LEU 39 13.265 -14.718 -4.790 212 HD11 LEU 39 HD11 LEU 39 14.117 -14.440 -2.469 213 HD12 LEU 39 HD12 LEU 39 13.106 -13.087 -2.987 214 HD13 LEU 39 HD13 LEU 39 14.870 -12.938 -2.962 215 HD21 LEU 39 HD21 LEU 39 14.092 -13.225 -6.513 216 HD22 LEU 39 HD22 LEU 39 14.912 -12.281 -5.268 217 HD23 LEU 39 HD23 LEU 39 13.148 -12.362 -5.292 218 H HIS 40 H HIS 40 17.738 -14.958 -3.093 219 HA HIS 40 HA HIS 40 17.127 -15.534 -0.354 220 HB2 HIS 40 HB2 HIS 40 19.481 -14.314 -1.785 221 HB3 HIS 40 HB3 HIS 40 19.436 -14.561 -0.055 222 HD1 HIS 40 HD1 HIS 40 21.652 -15.882 -1.624 223 HD2 HIS 40 HD2 HIS 40 18.022 -17.740 -0.882 224 HE1 HIS 40 HE1 HIS 40 22.059 -18.370 -1.897 225 H GLU 41 H GLU 41 15.326 -14.088 -0.120 226 HA GLU 41 HA GLU 41 15.823 -11.288 -0.696 227 HB2 GLU 41 HB2 GLU 41 13.473 -10.876 0.069 228 HB3 GLU 41 HB3 GLU 41 13.614 -11.952 -1.300 229 HG2 GLU 41 HG2 GLU 41 13.346 -13.861 0.353 230 HG3 GLU 41 HG3 GLU 41 12.906 -12.631 1.542 231 H GLU 42 H GLU 42 15.590 -13.381 1.950 232 HA GLU 42 HA GLU 42 16.261 -11.258 3.817 233 HB2 GLU 42 HB2 GLU 42 15.941 -13.413 5.394 234 HB3 GLU 42 HB3 GLU 42 14.599 -12.393 4.916 235 HG2 GLU 42 HG2 GLU 42 14.117 -14.840 4.762 236 HG3 GLU 42 HG3 GLU 42 13.894 -13.981 3.246 237 H SER 43 H SER 43 17.428 -13.927 2.062 238 HA SER 43 HA SER 43 19.776 -14.251 3.680 239 HB2 SER 43 HB2 SER 43 18.502 -16.209 2.952 240 HB3 SER 43 HB3 SER 43 18.673 -15.738 1.279 241 HG SER 43 HG SER 43 20.137 -17.356 2.010 242 H ASN 44 H ASN 44 21.798 -14.561 2.269 243 HA ASN 44 HA ASN 44 22.377 -11.968 1.105 244 HB2 ASN 44 HB2 ASN 44 24.004 -13.290 2.544 245 HB3 ASN 44 HB3 ASN 44 24.178 -14.389 1.183 246 HD21 ASN 44 HD21 ASN 44 26.199 -12.765 2.490 247 HD22 ASN 44 HD22 ASN 44 26.864 -11.753 1.261 248 H LEU 45 H LEU 45 22.084 -11.409 -0.876 249 HA LEU 45 HA LEU 45 21.281 -13.209 -2.879 250 HB2 LEU 45 HB2 LEU 45 21.925 -10.282 -2.958 251 HB3 LEU 45 HB3 LEU 45 21.519 -11.174 -4.409 252 HG LEU 45 HG LEU 45 19.672 -11.004 -2.024 253 HD11 LEU 45 HD11 LEU 45 18.443 -9.336 -3.325 254 HD12 LEU 45 HD12 LEU 45 19.704 -9.360 -4.558 255 HD13 LEU 45 HD13 LEU 45 20.065 -8.764 -2.937 256 HD21 LEU 45 HD21 LEU 45 17.988 -11.737 -3.672 257 HD22 LEU 45 HD22 LEU 45 19.288 -12.911 -3.533 258 HD23 LEU 45 HD23 LEU 45 19.240 -11.812 -4.910 259 H ILE 46 H ILE 46 24.436 -12.150 -1.964 260 HA ILE 46 HA ILE 46 25.633 -12.593 -4.552 261 HB ILE 46 HB ILE 46 27.048 -12.385 -1.852 262 HG12 ILE 46 HG12 ILE 46 25.675 -10.388 -2.229 263 HG13 ILE 46 HG11 ILE 46 27.388 -10.004 -2.324 264 HG21 ILE 46 HG21 ILE 46 28.035 -11.945 -4.671 265 HG22 ILE 46 HG22 ILE 46 28.535 -13.245 -3.580 266 HG23 ILE 46 HG23 ILE 46 28.955 -11.560 -3.224 267 HD11 ILE 46 HD11 ILE 46 25.520 -10.391 -4.633 268 HD12 ILE 46 HD12 ILE 46 27.230 -9.950 -4.767 269 HD13 ILE 46 HD13 ILE 46 26.079 -8.839 -4.014 270 H GLN 47 H GLN 47 24.459 -14.551 -2.137 271 HA GLN 47 HA GLN 47 26.272 -16.738 -2.569 272 HB2 GLN 47 HB2 GLN 47 23.619 -16.659 -1.169 273 HB3 GLN 47 HB3 GLN 47 24.658 -18.076 -1.214 274 HG2 GLN 47 HG2 GLN 47 25.339 -15.413 0.001 275 HG3 GLN 47 HG3 GLN 47 24.867 -16.855 0.906 276 HE21 GLN 47 HE21 GLN 47 26.507 -18.572 -0.912 277 HE22 GLN 47 HE22 GLN 47 28.142 -18.264 -0.435 278 H ALA 48 H ALA 48 23.852 -15.348 -4.259 279 HA ALA 48 HA ALA 48 23.169 -17.772 -5.761 280 HB1 ALA 48 HB1 ALA 48 21.808 -15.056 -5.670 281 HB2 ALA 48 HB2 ALA 48 21.198 -16.537 -4.934 282 HB3 ALA 48 HB3 ALA 48 21.305 -16.405 -6.689 283 H GLY 49 H GLY 49 22.772 -16.754 -8.297 284 HA2 GLY 49 HA2 GLY 49 25.504 -15.945 -8.874 285 HA3 GLY 49 HA3 GLY 49 24.275 -16.387 -10.058 286 H LEU 50 H LEU 50 25.476 -13.826 -8.000 287 HA LEU 50 HA LEU 50 24.125 -11.914 -9.714 288 HB2 LEU 50 HB2 LEU 50 23.044 -12.233 -7.483 289 HB3 LEU 50 HB3 LEU 50 24.550 -11.738 -6.722 290 HG LEU 50 HG LEU 50 24.310 -9.698 -8.176 291 HD11 LEU 50 HD11 LEU 50 22.443 -10.412 -9.533 292 HD12 LEU 50 HD12 LEU 50 21.950 -9.008 -8.584 293 HD13 LEU 50 HD13 LEU 50 21.436 -10.622 -8.099 294 HD21 LEU 50 HD21 LEU 50 24.250 -9.488 -5.816 295 HD22 LEU 50 HD22 LEU 50 22.614 -10.141 -5.728 296 HD23 LEU 50 HD23 LEU 50 22.897 -8.549 -6.434 297 H ASP 51 H ASP 51 25.902 -11.443 -10.870 298 HA ASP 51 HA ASP 51 28.444 -10.990 -9.627 299 HB2 ASP 51 HB2 ASP 51 29.152 -10.420 -11.984 300 HB3 ASP 51 HB3 ASP 51 28.473 -12.034 -11.799 301 H 4HJ 52 H 4HJ 52 29.430 -8.757 -11.029 302 HA 4HJ 52 HA 4HJ 52 28.032 -6.835 -9.439 303 HAA 4HJ 52 HAA 4HJ 52 29.604 -10.389 -8.205 304 HB3 4HJ 52 HB3 4HJ 52 30.003 -5.306 -10.062 305 HB2 4HJ 52 HB2 4HJ 52 30.403 -6.703 -9.089 306 HZ1 4HJ 52 HZ1 4HJ 52 29.289 -10.959 -5.914 307 HZ2 4HJ 52 HZ2 4HJ 52 30.944 -8.464 -8.853 308 HZ 4HJ 52 HZ 4HJ 52 30.874 -9.051 -3.282 309 HJ2 4HJ 52 HJ2 4HJ 52 33.652 -3.925 -11.307 310 HJ3 4HJ 52 HJ3 4HJ 52 31.899 -3.870 -11.471 311 HL12 4HJ 52 HL12 4HJ 52 30.762 -3.425 -8.965 312 HL11 4HJ 52 HL11 4HJ 52 31.650 -2.460 -7.826 313 HL13 4HJ 52 HL13 4HJ 52 32.118 -4.174 -8.190 314 HL22 4HJ 52 HL22 4HJ 52 32.356 -1.389 -11.367 315 HL21 4HJ 52 HL21 4HJ 52 31.837 -0.803 -9.723 316 HL23 4HJ 52 HL23 4HJ 52 30.886 -1.962 -10.606 317 HM 4HJ 52 HM 4HJ 52 33.914 -1.172 -7.750 318 HN 4HJ 52 HN 4HJ 52 33.503 -3.021 -6.524 319 HL3 4HJ 52 HL3 4HJ 52 34.796 -2.083 -10.008 320 HO2 4HJ 52 HO2 4HJ 52 35.815 -2.224 -5.405 321 HO3 4HJ 52 HO3 4HJ 52 35.652 -1.063 -6.752 322 HP2 4HJ 52 HP2 4HJ 52 34.792 0.061 -4.862 323 HP3 4HJ 52 HP3 4HJ 52 33.521 -0.288 -6.009 324 HS2 4HJ 52 HS2 4HJ 52 34.577 -3.905 -4.453 325 HS3 4HJ 52 HS3 4HJ 52 34.113 -3.434 -2.775 326 HT3 4HJ 52 HT3 4HJ 52 32.044 -4.804 -3.035 327 HT2 4HJ 52 HT2 4HJ 52 33.559 -5.696 -2.987 328 HY2 4HJ 52 HY2 4HJ 52 32.044 -7.051 -7.176 329 HR 4HJ 52 HR 4HJ 52 32.130 -2.826 -4.728 330 H ILE 53 H ILE 53 28.039 -7.836 -12.618 331 HA ILE 53 HA ILE 53 27.404 -5.248 -13.563 332 HB ILE 53 HB ILE 53 28.170 -7.568 -14.829 333 HG12 ILE 53 HG12 ILE 53 28.765 -5.410 -15.563 334 HG13 ILE 53 HG11 ILE 53 27.949 -6.234 -16.893 335 HG21 ILE 53 HG21 ILE 53 25.917 -8.496 -14.985 336 HG22 ILE 53 HG22 ILE 53 26.387 -7.958 -16.602 337 HG23 ILE 53 HG23 ILE 53 25.293 -6.978 -15.625 338 HD11 ILE 53 HD11 ILE 53 25.866 -5.082 -16.211 339 HD12 ILE 53 HD12 ILE 53 27.131 -3.971 -16.808 340 HD13 ILE 53 HD13 ILE 53 26.812 -4.131 -15.072 341 H ARG 54 H ARG 54 25.804 -8.059 -12.486 342 HA ARG 54 HA ARG 54 23.107 -7.083 -12.711 343 HB2 ARG 54 HB2 ARG 54 24.448 -9.150 -11.013 344 HB3 ARG 54 HB3 ARG 54 22.821 -8.594 -10.621 345 HG2 ARG 54 HG2 ARG 54 22.789 -10.618 -12.008 346 HG3 ARG 54 HG3 ARG 54 22.024 -9.249 -12.808 347 HD2 ARG 54 HD2 ARG 54 24.238 -8.857 -13.966 348 HD3 ARG 54 HD3 ARG 54 24.732 -10.432 -13.321 349 HE ARG 54 HE ARG 54 22.310 -10.157 -14.945 350 HH11 ARG 54 HH11 ARG 54 25.507 -11.657 -14.505 351 HH12 ARG 54 HH12 ARG 54 25.367 -12.648 -15.864 352 HH21 ARG 54 HH21 ARG 54 22.112 -11.387 -16.687 353 HH22 ARG 54 HH22 ARG 54 23.294 -12.533 -17.229 354 H LEU 55 H LEU 55 25.443 -6.904 -10.029 355 HA LEU 55 HA LEU 55 23.922 -5.255 -8.395 356 HB2 LEU 55 HB2 LEU 55 26.885 -5.418 -8.758 357 HB3 LEU 55 HB3 LEU 55 26.219 -4.108 -7.836 358 HG LEU 55 HG LEU 55 26.982 -5.741 -6.343 359 HD11 LEU 55 HD11 LEU 55 25.040 -4.622 -5.633 360 HD12 LEU 55 HD12 LEU 55 25.067 -6.270 -5.025 361 HD13 LEU 55 HD13 LEU 55 24.000 -5.848 -6.370 362 HD21 LEU 55 HD21 LEU 55 26.121 -8.021 -6.230 363 HD22 LEU 55 HD22 LEU 55 27.037 -7.699 -7.693 364 HD23 LEU 55 HD23 LEU 55 25.268 -7.762 -7.757 365 H MET 56 H MET 56 26.211 -4.086 -10.940 366 HA MET 56 HA MET 56 25.487 -1.393 -10.480 367 HB2 MET 56 HB2 MET 56 26.932 -2.757 -12.712 368 HB3 MET 56 HB3 MET 56 26.400 -1.098 -12.905 369 HG2 MET 56 HG2 MET 56 28.735 -1.202 -12.252 370 HG3 MET 56 HG3 MET 56 27.769 -0.405 -11.028 371 HE1 MET 56 HE1 MET 56 28.096 -2.720 -7.959 372 HE2 MET 56 HE2 MET 56 26.714 -2.240 -8.942 373 HE3 MET 56 HE3 MET 56 27.957 -1.057 -8.513 374 H ARG 57 H ARG 57 24.081 -3.828 -12.497 375 HA ARG 57 HA ARG 57 22.446 -2.063 -13.996 376 HB2 ARG 57 HB2 ARG 57 23.124 -4.494 -14.533 377 HB3 ARG 57 HB3 ARG 57 21.841 -4.964 -13.436 378 HG2 ARG 57 HG2 ARG 57 21.197 -3.084 -15.637 379 HG3 ARG 57 HG3 ARG 57 21.477 -4.770 -16.034 380 HD2 ARG 57 HD2 ARG 57 19.538 -3.829 -13.942 381 HD3 ARG 57 HD3 ARG 57 19.090 -4.113 -15.631 382 HE ARG 57 HE ARG 57 20.339 -6.413 -14.607 383 HH11 ARG 57 HH11 ARG 57 17.354 -4.608 -14.182 384 HH12 ARG 57 HH12 ARG 57 16.410 -5.980 -13.773 385 HH21 ARG 57 HH21 ARG 57 19.081 -8.296 -14.097 386 HH22 ARG 57 HH22 ARG 57 17.443 -8.178 -13.711 387 H TRP 58 H TRP 58 22.190 -3.604 -10.896 388 HA TRP 58 HA TRP 58 19.442 -2.829 -10.340 389 HB2 TRP 58 HB2 TRP 58 21.641 -3.609 -8.415 390 HB3 TRP 58 HB3 TRP 58 19.938 -3.331 -7.999 391 HD1 TRP 58 HD1 TRP 58 22.035 -6.118 -8.637 392 HE1 TRP 58 HE1 TRP 58 20.790 -8.085 -9.746 393 HE3 TRP 58 HE3 TRP 58 17.687 -3.744 -9.908 394 HZ2 TRP 58 HZ2 TRP 58 18.378 -8.542 -10.972 395 HZ3 TRP 58 HZ3 TRP 58 15.930 -5.041 -11.018 396 HH2 TRP 58 HH2 TRP 58 16.249 -7.405 -11.528 397 H LEU 59 H LEU 59 22.493 -1.331 -9.528 398 HA LEU 59 HA LEU 59 21.466 0.939 -8.245 399 HB2 LEU 59 HB2 LEU 59 23.874 0.625 -9.998 400 HB3 LEU 59 HB3 LEU 59 23.414 2.198 -9.400 401 HG LEU 59 HG LEU 59 25.165 1.261 -8.070 402 HD11 LEU 59 HD11 LEU 59 23.474 2.669 -7.027 403 HD12 LEU 59 HD12 LEU 59 24.207 1.532 -5.900 404 HD13 LEU 59 HD13 LEU 59 22.579 1.226 -6.543 405 HD21 LEU 59 HD21 LEU 59 24.827 -0.781 -6.757 406 HD22 LEU 59 HD22 LEU 59 24.699 -1.056 -8.516 407 HD23 LEU 59 HD23 LEU 59 23.249 -0.974 -7.552 408 H HIS 60 H HIS 60 22.054 0.386 -11.582 409 HA HIS 60 HA HIS 60 21.220 2.843 -12.625 410 HB2 HIS 60 HB2 HIS 60 22.658 1.230 -13.683 411 HB3 HIS 60 HB3 HIS 60 21.372 0.061 -13.736 412 HD1 HIS 60 HD1 HIS 60 22.795 2.899 -15.697 413 HD2 HIS 60 HD2 HIS 60 19.304 0.641 -15.674 414 HE1 HIS 60 HE1 HIS 60 21.673 3.309 -17.909 415 H TRP 61 H TRP 61 19.534 -0.136 -11.882 416 HA TRP 61 HA TRP 61 17.172 0.374 -13.295 417 HB2 TRP 61 HB2 TRP 61 18.038 -1.845 -12.520 418 HB3 TRP 61 HB3 TRP 61 17.525 -1.405 -10.901 419 HD1 TRP 61 HD1 TRP 61 16.071 -1.996 -14.367 420 HE1 TRP 61 HE1 TRP 61 13.590 -2.724 -14.109 421 HE3 TRP 61 HE3 TRP 61 15.654 -1.444 -9.379 422 HZ2 TRP 61 HZ2 TRP 61 11.737 -3.013 -12.005 423 HZ3 TRP 61 HZ3 TRP 61 13.513 -1.948 -8.284 424 HH2 TRP 61 HH2 TRP 61 11.607 -2.710 -9.568 425 H PHE 62 H PHE 62 17.909 0.709 -9.863 426 HA PHE 62 HA PHE 62 15.461 2.213 -9.550 427 HB2 PHE 62 HB2 PHE 62 16.618 2.592 -7.066 428 HB3 PHE 62 HB3 PHE 62 15.421 1.374 -7.473 429 HD1 PHE 62 HD2 PHE 62 18.955 2.079 -7.009 430 HD2 PHE 62 HD1 PHE 62 15.955 -0.842 -7.552 431 HE1 PHE 62 HE2 PHE 62 20.588 0.271 -6.430 432 HE2 PHE 62 HE1 PHE 62 17.502 -2.621 -7.018 433 HZ PHE 62 HZ PHE 62 19.816 -2.119 -6.520 434 H ARG 63 H ARG 63 18.620 3.028 -10.205 435 HA ARG 63 HA ARG 63 18.750 5.599 -9.242 436 HB2 ARG 63 HB2 ARG 63 20.518 4.321 -10.634 437 HB3 ARG 63 HB3 ARG 63 19.671 4.941 -12.046 438 HG2 ARG 63 HG2 ARG 63 21.442 6.432 -11.680 439 HG3 ARG 63 HG3 ARG 63 20.011 7.251 -11.044 440 HD2 ARG 63 HD2 ARG 63 21.563 7.584 -9.328 441 HD3 ARG 63 HD3 ARG 63 20.696 6.150 -8.788 442 HE ARG 63 HE ARG 63 23.198 5.886 -10.270 443 HH11 ARG 63 HH11 ARG 63 21.310 5.147 -7.365 444 HH12 ARG 63 HH12 ARG 63 22.572 4.305 -6.577 445 HH21 ARG 63 HH21 ARG 63 24.998 4.782 -9.091 446 HH22 ARG 63 HH22 ARG 63 24.699 4.183 -7.525 447 H LYS 64 H LYS 64 16.876 4.293 -11.924 448 HA LYS 64 HA LYS 64 16.088 6.798 -13.028 449 HB2 LYS 64 HB2 LYS 64 14.467 5.589 -14.391 450 HB3 LYS 64 HB3 LYS 64 16.021 4.793 -14.429 451 HG2 LYS 64 HG2 LYS 64 14.423 3.070 -14.345 452 HG3 LYS 64 HG3 LYS 64 15.083 3.203 -12.711 453 HD2 LYS 64 HD2 LYS 64 13.198 4.483 -12.010 454 HD3 LYS 64 HD3 LYS 64 12.524 4.485 -13.625 455 HE2 LYS 64 HE2 LYS 64 11.309 2.815 -12.299 456 HE3 LYS 64 HE3 LYS 64 12.274 1.990 -13.513 457 HZ1 LYS 64 HZ1 LYS 64 13.124 2.360 -10.698 458 HZ2 LYS 64 HZ2 LYS 64 13.858 1.331 -11.775 459 HZ3 LYS 64 HZ3 LYS 64 12.278 1.031 -11.174 460 H ASN 65 H ASN 65 15.220 5.420 -10.151 461 HA ASN 65 HA ASN 65 12.627 6.807 -10.034 462 HB2 ASN 65 HB2 ASN 65 14.007 5.190 -7.881 463 HB3 ASN 65 HB3 ASN 65 12.337 5.715 -7.894 464 HD21 ASN 65 HD21 ASN 65 10.840 4.495 -9.048 465 HD22 ASN 65 HD22 ASN 65 11.213 2.906 -9.613 466 H GLY 66 H GLY 66 15.798 7.493 -9.767 467 HA2 GLY 66 HA2 GLY 66 16.728 9.490 -9.027 468 HA3 GLY 66 HA3 GLY 66 15.343 9.725 -7.971 469 H TYR 67 H TYR 67 16.803 6.579 -7.797 470 HA TYR 67 HA TYR 67 17.519 7.220 -5.118 471 HB2 TYR 67 HB2 TYR 67 17.470 4.625 -6.589 472 HB3 TYR 67 HB3 TYR 67 18.147 4.772 -4.965 473 HD1 TYR 67 HD2 TYR 67 16.646 6.160 -3.341 474 HD2 TYR 67 HD1 TYR 67 15.272 4.058 -6.728 475 HE1 TYR 67 HE2 TYR 67 14.409 6.101 -2.358 476 HE2 TYR 67 HE1 TYR 67 13.000 3.983 -5.771 477 HH TYR 67 HH TYR 67 12.028 4.099 -3.525 478 H ARG 68 H ARG 68 19.182 8.196 -4.701 479 HA ARG 68 HA ARG 68 21.705 7.761 -6.055 480 HB2 ARG 68 HB2 ARG 68 21.009 9.375 -3.621 481 HB3 ARG 68 HB3 ARG 68 22.539 9.446 -4.477 482 HG2 ARG 68 HG2 ARG 68 21.383 10.340 -6.461 483 HG3 ARG 68 HG3 ARG 68 19.855 10.287 -5.582 484 HD2 ARG 68 HD2 ARG 68 20.771 11.853 -3.924 485 HD3 ARG 68 HD3 ARG 68 22.280 11.918 -4.832 486 HE ARG 68 HE ARG 68 20.099 12.546 -6.486 487 HH11 ARG 68 HH11 ARG 68 22.064 13.955 -3.905 488 HH12 ARG 68 HH12 ARG 68 21.825 15.576 -4.351 489 HH21 ARG 68 HH21 ARG 68 19.732 14.810 -7.148 490 HH22 ARG 68 HH22 ARG 68 20.440 16.074 -6.271 491 H LEU 69 H LEU 69 22.631 5.878 -5.512 492 HA LEU 69 HA LEU 69 22.982 5.185 -2.669 493 HB2 LEU 69 HB2 LEU 69 22.311 3.157 -4.797 494 HB3 LEU 69 HB3 LEU 69 22.559 2.869 -3.096 495 HG LEU 69 HG LEU 69 20.192 4.300 -4.315 496 HD11 LEU 69 HD11 LEU 69 20.133 1.925 -4.794 497 HD12 LEU 69 HD12 LEU 69 18.922 2.300 -3.577 498 HD13 LEU 69 HD13 LEU 69 20.443 1.552 -3.110 499 HD21 LEU 69 HD21 LEU 69 20.769 3.564 -1.437 500 HD22 LEU 69 HD22 LEU 69 19.226 4.169 -2.048 501 HD23 LEU 69 HD23 LEU 69 20.660 5.193 -2.123 502 H THR 70 H THR 70 24.950 4.546 -2.234 503 HA THR 70 HA THR 70 26.849 4.484 -4.373 504 HB THR 70 HB THR 70 27.383 3.745 -1.481 505 HG1 THR 70 HG1 THR 70 26.487 5.569 -1.057 506 HG21 THR 70 HG21 THR 70 29.532 4.886 -1.910 507 HG22 THR 70 HG22 THR 70 29.006 5.256 -3.553 508 HG23 THR 70 HG23 THR 70 29.263 3.582 -3.063 509 H LEU 71 H LEU 71 28.359 2.512 -4.153 510 HA LEU 71 HA LEU 71 26.647 0.353 -4.872 511 HB2 LEU 71 HB2 LEU 71 29.667 0.243 -4.881 512 HB3 LEU 71 HB3 LEU 71 28.533 -0.860 -5.640 513 HG LEU 71 HG LEU 71 29.432 0.438 -7.397 514 HD11 LEU 71 HD11 LEU 71 27.538 1.515 -8.347 515 HD12 LEU 71 HD12 LEU 71 26.832 1.756 -6.750 516 HD13 LEU 71 HD13 LEU 71 26.949 0.135 -7.402 517 HD21 LEU 71 HD21 LEU 71 28.706 2.837 -5.812 518 HD22 LEU 71 HD22 LEU 71 29.442 2.865 -7.433 519 HD23 LEU 71 HD23 LEU 71 30.361 2.253 -6.037 520 H ARG 72 H ARG 72 28.777 1.184 -2.441 521 HA ARG 72 HA ARG 72 29.547 -1.046 -0.963 522 HB2 ARG 72 HB2 ARG 72 30.367 1.114 -0.418 523 HB3 ARG 72 HB3 ARG 72 28.752 1.761 -0.232 524 HG2 ARG 72 HG2 ARG 72 28.565 0.174 1.774 525 HG3 ARG 72 HG3 ARG 72 30.326 0.053 1.655 526 HD2 ARG 72 HD2 ARG 72 29.663 1.817 3.229 527 HD3 ARG 72 HD3 ARG 72 30.516 2.486 1.837 528 HE ARG 72 HE ARG 72 27.913 2.719 1.087 529 HH11 ARG 72 HH11 ARG 72 29.540 3.752 4.109 530 HH12 ARG 72 HH12 ARG 72 28.465 5.052 4.337 531 HH21 ARG 72 HH21 ARG 72 26.521 4.576 1.446 532 HH22 ARG 72 HH22 ARG 72 26.790 5.513 2.862 533 H GLU 73 H GLU 73 26.623 0.886 -0.615 534 HA GLU 73 HA GLU 73 25.219 -0.145 1.374 535 HB2 GLU 73 HB2 GLU 73 24.458 0.789 -1.366 536 HB3 GLU 73 HB3 GLU 73 23.244 0.376 -0.177 537 HG2 GLU 73 HG2 GLU 73 23.620 2.699 -0.457 538 HG3 GLU 73 HG3 GLU 73 23.984 2.240 1.229 539 H LEU 74 H LEU 74 25.027 -1.197 -1.921 540 HA LEU 74 HA LEU 74 23.262 -3.386 -1.423 541 HB2 LEU 74 HB2 LEU 74 24.849 -2.844 -3.935 542 HB3 LEU 74 HB3 LEU 74 23.506 -3.949 -3.786 543 HG LEU 74 HG LEU 74 22.199 -1.793 -3.077 544 HD11 LEU 74 HD11 LEU 74 22.965 0.191 -4.309 545 HD12 LEU 74 HD12 LEU 74 24.501 -0.628 -4.621 546 HD13 LEU 74 HD13 LEU 74 24.011 -0.266 -2.975 547 HD21 LEU 74 HD21 LEU 74 21.674 -3.136 -5.003 548 HD22 LEU 74 HD22 LEU 74 22.982 -2.367 -5.917 549 HD23 LEU 74 HD23 LEU 74 21.587 -1.416 -5.381 550 H TYR 75 H TYR 75 26.655 -3.070 -1.528 551 HA TYR 75 HA TYR 75 27.181 -5.902 -1.901 552 HB2 TYR 75 HB2 TYR 75 28.825 -3.472 -1.577 553 HB3 TYR 75 HB3 TYR 75 29.622 -5.002 -1.352 554 HD1 TYR 75 HD2 TYR 75 28.659 -6.717 -3.369 555 HD2 TYR 75 HD1 TYR 75 29.218 -2.532 -3.553 556 HE1 TYR 75 HE2 TYR 75 28.906 -6.851 -5.871 557 HE2 TYR 75 HE1 TYR 75 29.448 -2.657 -6.003 558 HH TYR 75 HH TYR 75 28.766 -5.524 -7.758 559 H ALA 76 H ALA 76 27.172 -3.605 0.730 560 HA ALA 76 HA ALA 76 28.462 -5.388 2.473 561 HB1 ALA 76 HB1 ALA 76 27.948 -3.769 4.255 562 HB2 ALA 76 HB2 ALA 76 26.879 -2.908 3.148 563 HB3 ALA 76 HB3 ALA 76 28.611 -2.980 2.824 564 H ALA 77 H ALA 77 25.125 -4.548 1.809 565 HA ALA 77 HA ALA 77 24.355 -6.900 3.337 566 HB1 ALA 77 HB1 ALA 77 22.363 -5.776 4.192 567 HB2 ALA 77 HB2 ALA 77 22.851 -4.282 3.394 568 HB3 ALA 77 HB3 ALA 77 23.823 -4.933 4.713 569 HA PRO 78 HA PRO 78 22.497 -7.032 -0.809 570 HB2 PRO 78 HB2 PRO 78 23.590 -9.612 -1.270 571 HB3 PRO 78 HB3 PRO 78 24.150 -8.085 -1.979 572 HG2 PRO 78 HG2 PRO 78 25.620 -9.620 -0.218 573 HG3 PRO 78 HG3 PRO 78 25.891 -7.902 -0.561 574 HD2 PRO 78 HD2 PRO 78 24.478 -9.157 1.741 575 HD3 PRO 78 HD3 PRO 78 25.528 -7.722 1.693 576 H THR 79 H THR 79 20.583 -7.206 0.403 577 HA THR 79 HA THR 79 19.329 -9.805 0.231 578 HB THR 79 HB THR 79 18.244 -9.453 2.481 579 HG1 THR 79 HG1 THR 79 20.272 -7.652 3.157 580 HG21 THR 79 HG21 THR 79 20.176 -10.977 2.427 581 HG22 THR 79 HG22 THR 79 20.114 -10.096 3.953 582 HG23 THR 79 HG23 THR 79 21.260 -9.613 2.701 583 H LEU 80 H LEU 80 17.069 -9.382 -0.222 584 HA LEU 80 HA LEU 80 16.563 -6.737 -1.164 585 HB2 LEU 80 HB2 LEU 80 14.712 -9.043 -0.760 586 HB3 LEU 80 HB3 LEU 80 14.217 -7.520 -1.469 587 HG LEU 80 HG LEU 80 16.269 -9.376 -2.434 588 HD11 LEU 80 HD11 LEU 80 14.639 -9.702 -4.327 589 HD12 LEU 80 HD12 LEU 80 13.614 -8.479 -3.596 590 HD13 LEU 80 HD13 LEU 80 13.843 -10.037 -2.774 591 HD21 LEU 80 HD21 LEU 80 15.325 -6.762 -3.622 592 HD22 LEU 80 HD22 LEU 80 16.304 -7.928 -4.493 593 HD23 LEU 80 HD23 LEU 80 16.958 -7.147 -3.057 594 H ALA 81 H ALA 81 16.038 -8.418 1.618 595 HA ALA 81 HA ALA 81 14.257 -6.808 3.061 596 HB1 ALA 81 HB1 ALA 81 16.780 -8.059 4.166 597 HB2 ALA 81 HB2 ALA 81 15.228 -8.874 3.990 598 HB3 ALA 81 HB3 ALA 81 15.392 -7.525 5.114 599 H ALA 82 H ALA 82 17.804 -6.365 2.776 600 HA ALA 82 HA ALA 82 17.716 -3.808 4.066 601 HB1 ALA 82 HB1 ALA 82 20.092 -3.677 3.559 602 HB2 ALA 82 HB2 ALA 82 19.955 -5.081 2.499 603 HB3 ALA 82 HB3 ALA 82 19.688 -5.257 4.233 604 H TRP 83 H TRP 83 17.762 -4.941 0.735 605 HA TRP 83 HA TRP 83 18.287 -2.395 -0.365 606 HB2 TRP 83 HB2 TRP 83 17.045 -4.822 -1.658 607 HB3 TRP 83 HB3 TRP 83 17.412 -3.345 -2.527 608 HD1 TRP 83 HD1 TRP 83 20.033 -4.420 0.015 609 HE1 TRP 83 HE1 TRP 83 22.072 -5.371 -1.201 610 HE3 TRP 83 HE3 TRP 83 18.116 -4.557 -4.682 611 HZ2 TRP 83 HZ2 TRP 83 22.769 -6.128 -3.849 612 HZ3 TRP 83 HZ3 TRP 83 19.522 -5.424 -6.522 613 HH2 TRP 83 HH2 TRP 83 21.801 -6.179 -6.109 614 H ASN 84 H ASN 84 15.396 -3.849 0.774 615 HA ASN 84 HA ASN 84 13.584 -2.018 -0.435 616 HB2 ASN 84 HB2 ASN 84 12.785 -4.134 0.536 617 HB3 ASN 84 HB3 ASN 84 13.317 -3.616 2.131 618 HD21 ASN 84 HD21 ASN 84 12.024 -2.212 3.312 619 HD22 ASN 84 HD22 ASN 84 10.453 -1.742 2.762 620 H GLN 85 H GLN 85 15.601 -1.986 2.412 621 HA GLN 85 HA GLN 85 14.397 0.260 3.621 622 HB2 GLN 85 HB2 GLN 85 15.876 -1.546 4.677 623 HB3 GLN 85 HB3 GLN 85 17.237 -0.675 3.984 624 HG2 GLN 85 HG2 GLN 85 16.963 -0.028 6.255 625 HG3 GLN 85 HG3 GLN 85 16.526 1.327 5.204 626 HE21 GLN 85 HE21 GLN 85 15.201 2.302 6.733 627 HE22 GLN 85 HE22 GLN 85 13.690 1.599 7.218 628 H LEU 86 H LEU 86 16.857 -0.275 1.205 629 HA LEU 86 HA LEU 86 18.129 2.183 1.075 630 HB2 LEU 86 HB2 LEU 86 17.445 0.307 -1.172 631 HB3 LEU 86 HB3 LEU 86 18.557 1.652 -1.309 632 HG LEU 86 HG LEU 86 18.939 -0.666 0.569 633 HD11 LEU 86 HD11 LEU 86 20.581 -1.470 -1.034 634 HD12 LEU 86 HD12 LEU 86 20.294 -0.054 -2.041 635 HD13 LEU 86 HD13 LEU 86 19.027 -1.270 -1.870 636 HD21 LEU 86 HD21 LEU 86 20.091 1.378 1.256 637 HD22 LEU 86 HD22 LEU 86 20.823 1.480 -0.356 638 HD23 LEU 86 HD23 LEU 86 21.223 0.138 0.705 639 H MET 87 H MET 87 15.016 1.173 -0.090 640 HA MET 87 HA MET 87 14.393 3.230 -1.912 641 HB2 MET 87 HB2 MET 87 12.586 1.606 -0.135 642 HB3 MET 87 HB3 MET 87 12.013 2.666 -1.411 643 HG2 MET 87 HG2 MET 87 13.767 0.259 -1.770 644 HG3 MET 87 HG3 MET 87 12.024 0.302 -2.024 645 HE1 MET 87 HE1 MET 87 12.047 -0.512 -4.336 646 HE2 MET 87 HE2 MET 87 13.786 -0.837 -4.213 647 HE3 MET 87 HE3 MET 87 13.131 -0.025 -5.646 648 H LEU 88 H LEU 88 13.852 2.916 1.519 649 HA LEU 88 HA LEU 88 12.682 5.554 1.520 650 HB2 LEU 88 HB2 LEU 88 12.145 4.894 3.950 651 HB3 LEU 88 HB3 LEU 88 11.165 4.419 2.584 652 HG LEU 88 HG LEU 88 13.278 2.513 3.368 653 HD11 LEU 88 HD11 LEU 88 11.873 1.759 5.239 654 HD12 LEU 88 HD12 LEU 88 10.818 3.176 4.897 655 HD13 LEU 88 HD13 LEU 88 12.498 3.424 5.387 656 HD21 LEU 88 HD21 LEU 88 11.600 2.165 1.514 657 HD22 LEU 88 HD22 LEU 88 10.320 2.226 2.706 658 HD23 LEU 88 HD23 LEU 88 11.513 0.931 2.761 659 H SER 89 H SER 89 15.190 3.789 3.318 660 HA SER 89 HA SER 89 15.877 6.179 4.757 661 HB2 SER 89 HB2 SER 89 17.134 3.479 4.679 662 HB3 SER 89 HB3 SER 89 17.592 4.801 5.740 663 HG SER 89 HG SER 89 15.143 4.733 6.207 664 H ARG 90 H ARG 90 16.921 4.440 1.938 665 HA ARG 90 HA ARG 90 18.630 4.436 0.614 666 HB2 ARG 90 HB2 ARG 90 18.950 7.294 1.542 667 HB3 ARG 90 HB3 ARG 90 19.950 6.579 0.293 668 HG2 ARG 90 HG2 ARG 90 18.270 7.857 -0.765 669 HG3 ARG 90 HG3 ARG 90 17.862 6.167 -1.030 670 HD2 ARG 90 HD2 ARG 90 16.179 6.314 0.743 671 HD3 ARG 90 HD3 ARG 90 16.627 7.995 1.037 672 HE ARG 90 HE ARG 90 15.935 7.498 -1.666 673 HH11 ARG 90 HH11 ARG 90 14.442 8.030 1.506 674 HH12 ARG 90 HH12 ARG 90 13.052 8.791 0.919 675 HH21 ARG 90 HH21 ARG 90 13.974 8.524 -2.521 676 HH22 ARG 90 HH22 ARG 90 12.762 9.069 -1.462 677 H SER 91 H SER 91 19.903 6.270 3.206 678 HA SER 91 HA SER 91 21.849 4.293 3.946 679 HB2 SER 91 HB2 SER 91 22.945 6.769 2.537 680 HB3 SER 91 HB3 SER 91 23.898 5.476 3.253 681 HG SER 91 HG SER 91 23.839 4.929 1.143 682 HA PRO 92 HA PRO 92 20.929 7.402 7.320 683 HB2 PRO 92 HB2 PRO 92 21.100 4.764 8.713 684 HB3 PRO 92 HB3 PRO 92 20.001 6.135 9.030 685 HG2 PRO 92 HG2 PRO 92 18.901 4.248 7.765 686 HG3 PRO 92 HG3 PRO 92 18.976 5.913 7.051 687 HD2 PRO 92 HD2 PRO 92 20.836 3.662 6.337 688 HD3 PRO 92 HD3 PRO 92 19.680 4.547 5.288 689 H GLU 93 H GLU 93 22.755 8.280 7.225 690 HA GLU 93 HA GLU 93 24.912 7.270 8.906 691 HB2 GLU 93 HB2 GLU 93 25.317 8.521 6.155 692 HB3 GLU 93 HB3 GLU 93 26.610 8.206 7.302 693 HG2 GLU 93 HG2 GLU 93 26.147 5.800 7.158 694 HG3 GLU 93 HG3 GLU 93 24.853 6.122 6.011 Start of MODEL 6 1 H ASP 14 HT1 ASP 14 4.777 5.599 3.805 2 HA ASP 14 HA ASP 14 5.868 3.406 3.529 3 HB2 ASP 14 HB2 ASP 14 4.956 1.992 1.718 4 HB3 ASP 14 HB3 ASP 14 3.748 2.191 2.991 5 H ASN 15 H ASN 15 6.394 2.914 0.806 6 HA ASN 15 HA ASN 15 6.692 5.511 -0.454 7 HB2 ASN 15 HB2 ASN 15 8.839 5.019 0.786 8 HB3 ASN 15 HB3 ASN 15 8.942 3.492 -0.073 9 HD21 ASN 15 HD21 ASN 15 10.799 5.778 0.014 10 HD22 ASN 15 HD22 ASN 15 11.034 6.227 -1.630 11 H ARG 16 H ARG 16 6.137 5.344 -2.469 12 HA ARG 16 HA ARG 16 4.843 3.022 -3.406 13 HB2 ARG 16 HB2 ARG 16 5.699 5.445 -4.983 14 HB3 ARG 16 HB3 ARG 16 4.534 4.240 -5.504 15 HG2 ARG 16 HG2 ARG 16 4.247 6.077 -3.144 16 HG3 ARG 16 HG3 ARG 16 3.424 6.264 -4.699 17 HD2 ARG 16 HD2 ARG 16 2.369 4.016 -4.282 18 HD3 ARG 16 HD3 ARG 16 3.075 4.052 -2.667 19 HE ARG 16 HE ARG 16 1.201 6.081 -3.652 20 HH11 ARG 16 HH11 ARG 16 2.322 3.931 -1.002 21 HH12 ARG 16 HH12 ARG 16 1.176 4.379 0.063 22 HH21 ARG 16 HH21 ARG 16 -0.521 6.689 -2.098 23 HH22 ARG 16 HH22 ARG 16 -0.526 5.948 -0.562 24 H HIS 17 H HIS 17 8.097 4.074 -3.691 25 HA HIS 17 HA HIS 17 8.700 2.542 -5.957 26 HB2 HIS 17 HB2 HIS 17 10.493 3.840 -3.940 27 HB3 HIS 17 HB3 HIS 17 11.127 2.842 -5.251 28 HD1 HIS 17 HD1 HIS 17 11.051 6.182 -4.718 29 HD2 HIS 17 HD2 HIS 17 9.358 3.832 -7.697 30 HE1 HIS 17 HE1 HIS 17 10.656 7.725 -6.691 31 H ALA 18 H ALA 18 8.175 1.566 -2.781 32 HA ALA 18 HA ALA 18 9.758 -0.758 -2.926 33 HB1 ALA 18 HB1 ALA 18 7.247 -0.287 -1.328 34 HB2 ALA 18 HB2 ALA 18 8.925 0.082 -0.863 35 HB3 ALA 18 HB3 ALA 18 8.431 -1.595 -1.100 36 H ALA 19 H ALA 19 6.852 0.152 -4.530 37 HA ALA 19 HA ALA 19 6.037 -2.527 -5.199 38 HB1 ALA 19 HB1 ALA 19 5.345 0.112 -6.519 39 HB2 ALA 19 HB2 ALA 19 4.407 -0.677 -5.252 40 HB3 ALA 19 HB3 ALA 19 4.552 -1.430 -6.841 41 H ASP 20 H ASP 20 8.260 -0.170 -6.335 42 HA ASP 20 HA ASP 20 8.787 -1.323 -8.883 43 HB2 ASP 20 HB2 ASP 20 9.237 1.081 -8.279 44 HB3 ASP 20 HB3 ASP 20 10.508 0.540 -7.202 45 H TYR 21 H TYR 21 10.105 -1.484 -5.641 46 HA TYR 21 HA TYR 21 12.160 -3.514 -5.774 47 HB2 TYR 21 HB2 TYR 21 11.789 -2.348 -3.693 48 HB3 TYR 21 HB3 TYR 21 10.081 -2.768 -3.696 49 HD1 TYR 21 HD1 TYR 21 13.480 -4.173 -3.356 50 HD2 TYR 21 HD2 TYR 21 9.324 -4.735 -2.709 51 HE1 TYR 21 HE1 TYR 21 13.968 -6.156 -2.093 52 HE2 TYR 21 HE2 TYR 21 9.775 -6.757 -1.417 53 HH TYR 21 HH TYR 21 12.727 -7.746 -0.249 54 H GLN 22 H GLN 22 8.657 -3.884 -5.630 55 HA GLN 22 HA GLN 22 8.679 -6.680 -5.541 56 HB2 GLN 22 HB2 GLN 22 6.647 -5.400 -5.100 57 HB3 GLN 22 HB3 GLN 22 6.620 -4.821 -6.755 58 HG2 GLN 22 HG2 GLN 22 4.958 -6.566 -6.386 59 HG3 GLN 22 HG3 GLN 22 6.168 -7.073 -7.558 60 HE21 GLN 22 HE21 GLN 22 7.589 -8.732 -7.011 61 HE22 GLN 22 HE22 GLN 22 7.273 -9.764 -5.644 62 H GLN 23 H GLN 23 8.934 -4.468 -8.246 63 HA GLN 23 HA GLN 23 8.819 -6.468 -10.269 64 HB2 GLN 23 HB2 GLN 23 10.157 -3.762 -10.409 65 HB3 GLN 23 HB3 GLN 23 9.720 -4.772 -11.772 66 HG2 GLN 23 HG2 GLN 23 7.328 -4.495 -11.076 67 HG3 GLN 23 HG3 GLN 23 7.887 -3.298 -9.906 68 HE21 GLN 23 HE21 GLN 23 8.898 -1.336 -10.727 69 HE22 GLN 23 HE22 GLN 23 8.542 -0.823 -12.310 70 H LEU 24 H LEU 24 11.429 -4.797 -8.585 71 HA LEU 24 HA LEU 24 13.760 -5.783 -9.786 72 HB2 LEU 24 HB2 LEU 24 13.373 -4.103 -7.829 73 HB3 LEU 24 HB3 LEU 24 13.390 -5.508 -6.804 74 HG LEU 24 HG LEU 24 15.714 -4.498 -8.469 75 HD11 LEU 24 HD11 LEU 24 15.239 -3.030 -6.642 76 HD12 LEU 24 HD12 LEU 24 16.689 -3.974 -6.259 77 HD13 LEU 24 HD13 LEU 24 15.145 -4.390 -5.527 78 HD21 LEU 24 HD21 LEU 24 15.633 -6.719 -6.425 79 HD22 LEU 24 HD22 LEU 24 17.081 -6.101 -7.222 80 HD23 LEU 24 HD23 LEU 24 15.840 -6.932 -8.164 81 H ARG 25 H ARG 25 11.815 -7.272 -7.230 82 HA ARG 25 HA ARG 25 13.421 -9.516 -6.718 83 HB2 ARG 25 HB2 ARG 25 10.412 -9.724 -6.642 84 HB3 ARG 25 HB3 ARG 25 11.583 -10.523 -5.613 85 HG2 ARG 25 HG2 ARG 25 12.106 -8.213 -4.674 86 HG3 ARG 25 HG3 ARG 25 10.691 -7.663 -5.548 87 HD2 ARG 25 HD2 ARG 25 9.816 -8.103 -3.459 88 HD3 ARG 25 HD3 ARG 25 9.465 -9.597 -4.325 89 HE ARG 25 HE ARG 25 11.532 -9.185 -2.276 90 HH11 ARG 25 HH11 ARG 25 9.718 -11.548 -4.289 91 HH12 ARG 25 HH12 ARG 25 10.329 -12.853 -3.326 92 HH21 ARG 25 HH21 ARG 25 12.211 -11.084 -1.079 93 HH22 ARG 25 HH22 ARG 25 11.605 -12.600 -1.608 94 H GLU 26 H GLU 26 10.925 -9.002 -9.201 95 HA GLU 26 HA GLU 26 10.925 -11.657 -10.101 96 HB2 GLU 26 HB2 GLU 26 8.970 -10.210 -10.107 97 HB3 GLU 26 HB3 GLU 26 9.795 -9.066 -11.144 98 HG2 GLU 26 HG2 GLU 26 9.804 -11.651 -12.290 99 HG3 GLU 26 HG3 GLU 26 8.152 -11.151 -11.860 100 H ARG 27 H ARG 27 12.320 -8.572 -11.206 101 HA ARG 27 HA ARG 27 13.349 -9.617 -13.628 102 HB2 ARG 27 HB2 ARG 27 13.991 -7.057 -12.230 103 HB3 ARG 27 HB3 ARG 27 14.908 -7.584 -13.639 104 HG2 ARG 27 HG2 ARG 27 13.324 -6.461 -14.744 105 HG3 ARG 27 HG3 ARG 27 12.547 -8.036 -14.537 106 HD2 ARG 27 HD2 ARG 27 11.815 -6.768 -12.253 107 HD3 ARG 27 HD3 ARG 27 11.778 -5.453 -13.421 108 HE ARG 27 HE ARG 27 10.362 -7.995 -13.867 109 HH11 ARG 27 HH11 ARG 27 10.331 -4.459 -13.931 110 HH12 ARG 27 HH12 ARG 27 8.649 -4.319 -14.119 111 HH21 ARG 27 HH21 ARG 27 8.105 -7.849 -14.131 112 HH22 ARG 27 HH22 ARG 27 7.311 -6.351 -14.312 113 H LEU 28 H LEU 28 14.539 -9.780 -10.603 114 HA LEU 28 HA LEU 28 17.279 -10.521 -11.096 115 HB2 LEU 28 HB2 LEU 28 15.395 -11.518 -8.962 116 HB3 LEU 28 HB3 LEU 28 17.114 -11.815 -8.986 117 HG LEU 28 HG LEU 28 15.884 -9.079 -8.755 118 HD11 LEU 28 HD11 LEU 28 16.442 -9.266 -6.399 119 HD12 LEU 28 HD12 LEU 28 17.001 -10.926 -6.657 120 HD13 LEU 28 HD13 LEU 28 15.296 -10.521 -6.882 121 HD21 LEU 28 HD21 LEU 28 18.125 -9.224 -9.673 122 HD22 LEU 28 HD22 LEU 28 18.677 -10.093 -8.240 123 HD23 LEU 28 HD23 LEU 28 18.102 -8.414 -8.118 124 H ILE 29 H ILE 29 14.343 -12.338 -10.686 125 HA ILE 29 HA ILE 29 15.484 -14.859 -10.842 126 HB ILE 29 HB ILE 29 12.763 -13.743 -10.602 127 HG12 ILE 29 HG12 ILE 29 12.572 -15.295 -8.757 128 HG13 ILE 29 HG11 ILE 29 14.066 -16.082 -9.237 129 HG21 ILE 29 HG21 ILE 29 12.220 -15.239 -12.394 130 HG22 ILE 29 HG22 ILE 29 11.584 -15.851 -10.855 131 HG23 ILE 29 HG23 ILE 29 13.032 -16.566 -11.549 132 HD11 ILE 29 HD11 ILE 29 15.295 -14.122 -8.780 133 HD12 ILE 29 HD12 ILE 29 14.351 -14.568 -7.344 134 HD13 ILE 29 HD13 ILE 29 13.834 -13.221 -8.379 135 H GLN 30 H GLN 30 14.149 -12.800 -13.245 136 HA GLN 30 HA GLN 30 13.644 -14.553 -15.398 137 HB2 GLN 30 HB2 GLN 30 15.054 -11.942 -15.786 138 HB3 GLN 30 HB3 GLN 30 13.842 -12.695 -16.811 139 HG2 GLN 30 HG2 GLN 30 12.157 -12.122 -15.096 140 HG3 GLN 30 HG3 GLN 30 13.464 -11.379 -14.166 141 HE21 GLN 30 HE21 GLN 30 11.122 -10.033 -15.313 142 HE22 GLN 30 HE22 GLN 30 11.729 -8.877 -16.434 143 H GLU 31 H GLU 31 16.633 -12.887 -14.394 144 HA GLU 31 HA GLU 31 18.111 -13.995 -16.511 145 HB2 GLU 31 HB2 GLU 31 18.546 -11.808 -16.276 146 HB3 GLU 31 HB3 GLU 31 18.143 -11.793 -14.574 147 HG2 GLU 31 HG2 GLU 31 20.069 -12.617 -13.992 148 HG3 GLU 31 HG3 GLU 31 20.593 -13.026 -15.648 149 H LEU 32 H LEU 32 17.499 -14.596 -13.120 150 HA LEU 32 HA LEU 32 19.834 -16.197 -12.913 151 HB2 LEU 32 HB2 LEU 32 17.564 -15.709 -10.960 152 HB3 LEU 32 HB3 LEU 32 18.941 -16.751 -10.638 153 HG LEU 32 HG LEU 32 18.901 -13.818 -11.114 154 HD11 LEU 32 HD11 LEU 32 19.770 -15.448 -8.726 155 HD12 LEU 32 HD12 LEU 32 18.356 -14.393 -8.872 156 HD13 LEU 32 HD13 LEU 32 19.986 -13.706 -8.878 157 HD21 LEU 32 HD21 LEU 32 21.290 -15.637 -10.967 158 HD22 LEU 32 HD22 LEU 32 21.374 -13.902 -10.734 159 HD23 LEU 32 HD23 LEU 32 20.841 -14.546 -12.291 160 H ASN 33 H ASN 33 16.668 -16.600 -13.963 161 HA ASN 33 HA ASN 33 15.536 -18.214 -14.960 162 HB2 ASN 33 HB2 ASN 33 17.786 -18.472 -16.142 163 HB3 ASN 33 HB3 ASN 33 18.136 -19.798 -15.049 164 HD21 ASN 33 HD21 ASN 33 17.046 -21.756 -15.356 165 HD22 ASN 33 HD22 ASN 33 16.183 -22.118 -16.821 166 H LEU 34 H LEU 34 15.781 -18.197 -12.115 167 HA LEU 34 HA LEU 34 15.127 -20.970 -11.549 168 HB2 LEU 34 HB2 LEU 34 16.014 -20.619 -9.206 169 HB3 LEU 34 HB3 LEU 34 17.169 -20.814 -10.493 170 HG LEU 34 HG LEU 34 17.723 -18.439 -10.429 171 HD11 LEU 34 HD11 LEU 34 15.526 -17.605 -9.757 172 HD12 LEU 34 HD12 LEU 34 16.842 -16.942 -8.780 173 HD13 LEU 34 HD13 LEU 34 15.802 -18.216 -8.123 174 HD21 LEU 34 HD21 LEU 34 17.747 -19.653 -7.675 175 HD22 LEU 34 HD22 LEU 34 18.835 -18.408 -8.282 176 HD23 LEU 34 HD23 LEU 34 18.858 -20.037 -8.985 177 H THR 35 H THR 35 13.849 -21.058 -9.304 178 HA THR 35 HA THR 35 11.628 -19.234 -9.659 179 HB THR 35 HB THR 35 11.774 -21.078 -7.336 180 HG1 THR 35 HG1 THR 35 11.860 -21.962 -10.064 181 HG21 THR 35 HG21 THR 35 9.543 -21.762 -8.155 182 HG22 THR 35 HG22 THR 35 9.772 -20.767 -9.592 183 HG23 THR 35 HG23 THR 35 9.657 -20.012 -8.005 184 HA PRO 36 HA PRO 36 13.337 -16.343 -6.743 185 HB2 PRO 36 HB2 PRO 36 10.853 -16.365 -5.106 186 HB3 PRO 36 HB3 PRO 36 11.642 -14.998 -5.919 187 HG2 PRO 36 HG2 PRO 36 9.392 -16.032 -6.866 188 HG3 PRO 36 HG3 PRO 36 10.660 -15.421 -7.942 189 HD2 PRO 36 HD2 PRO 36 9.956 -18.240 -7.281 190 HD3 PRO 36 HD3 PRO 36 10.518 -17.551 -8.821 191 H GLN 37 H GLN 37 11.523 -18.951 -5.235 192 HA GLN 37 HA GLN 37 13.003 -18.774 -2.809 193 HB2 GLN 37 HB2 GLN 37 10.968 -20.797 -3.746 194 HB3 GLN 37 HB3 GLN 37 11.751 -20.873 -2.173 195 HG2 GLN 37 HG2 GLN 37 9.628 -19.844 -1.867 196 HG3 GLN 37 HG3 GLN 37 10.852 -18.592 -1.693 197 HE21 GLN 37 HE21 GLN 37 9.735 -16.858 -2.266 198 HE22 GLN 37 HE22 GLN 37 8.959 -16.604 -3.778 199 H GLN 38 H GLN 38 14.032 -19.843 -5.702 200 HA GLN 38 HA GLN 38 15.651 -21.997 -4.594 201 HB2 GLN 38 HB2 GLN 38 15.575 -20.750 -7.335 202 HB3 GLN 38 HB3 GLN 38 16.607 -22.109 -6.902 203 HG2 GLN 38 HG2 GLN 38 13.595 -22.089 -6.925 204 HG3 GLN 38 HG3 GLN 38 14.627 -22.808 -8.156 205 HE21 GLN 38 HE21 GLN 38 12.589 -24.027 -6.499 206 HE22 GLN 38 HE22 GLN 38 13.395 -25.288 -5.620 207 H LEU 39 H LEU 39 15.567 -18.691 -4.709 208 HA LEU 39 HA LEU 39 18.385 -18.666 -4.301 209 HB2 LEU 39 HB2 LEU 39 18.609 -16.338 -5.048 210 HB3 LEU 39 HB3 LEU 39 17.863 -17.318 -6.277 211 HG LEU 39 HG LEU 39 15.693 -16.205 -5.858 212 HD11 LEU 39 HD11 LEU 39 17.279 -14.415 -4.013 213 HD12 LEU 39 HD12 LEU 39 16.051 -15.557 -3.489 214 HD13 LEU 39 HD13 LEU 39 15.603 -14.189 -4.513 215 HD21 LEU 39 HD21 LEU 39 17.193 -15.409 -7.538 216 HD22 LEU 39 HD22 LEU 39 18.035 -14.418 -6.347 217 HD23 LEU 39 HD23 LEU 39 16.364 -14.057 -6.767 218 H HIS 40 H HIS 40 18.996 -16.897 -2.577 219 HA HIS 40 HA HIS 40 17.164 -17.352 -0.392 220 HB2 HIS 40 HB2 HIS 40 19.748 -15.797 -0.107 221 HB3 HIS 40 HB3 HIS 40 18.972 -16.950 0.986 222 HD1 HIS 40 HD1 HIS 40 21.674 -16.713 -1.460 223 HD2 HIS 40 HD2 HIS 40 19.361 -19.700 0.275 224 HE1 HIS 40 HE1 HIS 40 22.824 -18.891 -1.984 225 H GLU 41 H GLU 41 15.466 -15.947 -1.005 226 HA GLU 41 HA GLU 41 15.530 -13.561 -2.321 227 HB2 GLU 41 HB2 GLU 41 13.553 -14.351 -0.192 228 HB3 GLU 41 HB3 GLU 41 13.323 -13.053 -1.350 229 HG2 GLU 41 HG2 GLU 41 13.448 -14.705 -3.179 230 HG3 GLU 41 HG3 GLU 41 13.599 -15.988 -1.981 231 H GLU 42 H GLU 42 15.164 -13.662 1.194 232 HA GLU 42 HA GLU 42 15.991 -10.844 1.253 233 HB2 GLU 42 HB2 GLU 42 14.676 -12.505 3.414 234 HB3 GLU 42 HB3 GLU 42 14.952 -10.780 3.484 235 HG2 GLU 42 HG2 GLU 42 13.030 -12.274 1.707 236 HG3 GLU 42 HG3 GLU 42 12.642 -11.143 2.996 237 H SER 43 H SER 43 17.709 -13.233 0.954 238 HA SER 43 HA SER 43 19.362 -12.878 3.300 239 HB2 SER 43 HB2 SER 43 18.734 -15.318 1.740 240 HB3 SER 43 HB3 SER 43 19.964 -15.292 3.030 241 HG SER 43 HG SER 43 17.694 -14.217 3.901 242 H ASN 44 H ASN 44 21.648 -13.726 2.714 243 HA ASN 44 HA ASN 44 23.009 -11.985 1.138 244 HB2 ASN 44 HB2 ASN 44 23.964 -13.775 2.694 245 HB3 ASN 44 HB3 ASN 44 23.832 -14.882 1.334 246 HD21 ASN 44 HD21 ASN 44 26.202 -14.134 2.713 247 HD22 ASN 44 HD22 ASN 44 27.237 -13.371 1.560 248 H LEU 45 H LEU 45 22.508 -11.387 -0.799 249 HA LEU 45 HA LEU 45 21.690 -13.205 -2.798 250 HB2 LEU 45 HB2 LEU 45 22.279 -10.261 -2.971 251 HB3 LEU 45 HB3 LEU 45 21.649 -11.214 -4.295 252 HG LEU 45 HG LEU 45 20.242 -10.706 -1.671 253 HD11 LEU 45 HD11 LEU 45 18.720 -9.350 -3.011 254 HD12 LEU 45 HD12 LEU 45 19.710 -9.647 -4.439 255 HD13 LEU 45 HD13 LEU 45 20.368 -8.721 -3.087 256 HD21 LEU 45 HD21 LEU 45 18.301 -11.745 -2.769 257 HD22 LEU 45 HD22 LEU 45 19.630 -12.882 -2.586 258 HD23 LEU 45 HD23 LEU 45 19.309 -12.148 -4.159 259 H ILE 46 H ILE 46 24.742 -12.137 -1.755 260 HA ILE 46 HA ILE 46 26.085 -12.412 -4.312 261 HB ILE 46 HB ILE 46 27.270 -12.259 -1.493 262 HG12 ILE 46 HG12 ILE 46 25.938 -10.271 -2.006 263 HG13 ILE 46 HG11 ILE 46 27.650 -9.888 -1.890 264 HG21 ILE 46 HG21 ILE 46 28.931 -13.117 -3.029 265 HG22 ILE 46 HG22 ILE 46 29.309 -11.416 -2.652 266 HG23 ILE 46 HG23 ILE 46 28.553 -11.831 -4.178 267 HD11 ILE 46 HD11 ILE 46 26.104 -10.256 -4.440 268 HD12 ILE 46 HD12 ILE 46 27.797 -9.764 -4.311 269 HD13 ILE 46 HD13 ILE 46 26.514 -8.708 -3.707 270 H GLN 47 H GLN 47 24.905 -14.364 -1.865 271 HA GLN 47 HA GLN 47 26.569 -16.655 -2.340 272 HB2 GLN 47 HB2 GLN 47 25.586 -15.977 -0.118 273 HB3 GLN 47 HB3 GLN 47 24.013 -16.358 -0.797 274 HG2 GLN 47 HG2 GLN 47 24.687 -18.659 -1.085 275 HG3 GLN 47 HG3 GLN 47 26.277 -18.266 -0.419 276 HE21 GLN 47 HE21 GLN 47 24.192 -20.116 0.550 277 HE22 GLN 47 HE22 GLN 47 23.858 -19.616 2.171 278 H ALA 48 H ALA 48 24.129 -15.078 -3.845 279 HA ALA 48 HA ALA 48 22.959 -17.407 -5.249 280 HB1 ALA 48 HB1 ALA 48 21.827 -14.628 -4.795 281 HB2 ALA 48 HB2 ALA 48 21.268 -16.093 -3.988 282 HB3 ALA 48 HB3 ALA 48 21.064 -15.913 -5.732 283 H GLY 49 H GLY 49 22.181 -16.359 -7.520 284 HA2 GLY 49 HA2 GLY 49 24.656 -15.740 -8.805 285 HA3 GLY 49 HA3 GLY 49 23.075 -15.837 -9.574 286 H LEU 50 H LEU 50 25.300 -13.741 -7.860 287 HA LEU 50 HA LEU 50 24.128 -11.524 -9.243 288 HB2 LEU 50 HB2 LEU 50 22.845 -11.518 -7.304 289 HB3 LEU 50 HB3 LEU 50 24.217 -11.803 -6.251 290 HG LEU 50 HG LEU 50 25.109 -9.587 -7.046 291 HD11 LEU 50 HD11 LEU 50 23.736 -9.218 -8.950 292 HD12 LEU 50 HD12 LEU 50 23.442 -7.928 -7.781 293 HD13 LEU 50 HD13 LEU 50 22.268 -9.235 -7.968 294 HD21 LEU 50 HD21 LEU 50 24.198 -9.929 -4.824 295 HD22 LEU 50 HD22 LEU 50 22.585 -9.485 -5.412 296 HD23 LEU 50 HD23 LEU 50 23.911 -8.311 -5.430 297 H ASP 51 H ASP 51 25.885 -11.232 -10.364 298 HA ASP 51 HA ASP 51 28.433 -10.885 -9.060 299 HB2 ASP 51 HB2 ASP 51 29.257 -10.496 -11.422 300 HB3 ASP 51 HB3 ASP 51 28.530 -12.074 -11.156 301 H 4HJ 52 H 4HJ 52 29.429 -8.760 -10.754 302 HA 4HJ 52 HA 4HJ 52 28.090 -6.724 -9.255 303 HAA 4HJ 52 HAA 4HJ 52 29.708 -10.075 -7.837 304 HB3 4HJ 52 HB3 4HJ 52 30.121 -5.321 -9.926 305 HB2 4HJ 52 HB2 4HJ 52 30.454 -6.704 -8.896 306 HZ1 4HJ 52 HZ1 4HJ 52 29.475 -10.566 -5.497 307 HZ2 4HJ 52 HZ2 4HJ 52 31.288 -8.371 -8.616 308 HZ 4HJ 52 HZ 4HJ 52 31.470 -8.834 -3.033 309 HJ2 4HJ 52 HJ2 4HJ 52 32.937 -4.205 -11.748 310 HJ3 4HJ 52 HJ3 4HJ 52 31.440 -3.955 -10.861 311 HL12 4HJ 52 HL12 4HJ 52 33.233 -4.250 -8.250 312 HL11 4HJ 52 HL11 4HJ 52 31.926 -3.114 -8.318 313 HL13 4HJ 52 HL13 4HJ 52 33.493 -2.488 -7.906 314 HL22 4HJ 52 HL22 4HJ 52 32.456 -1.611 -11.470 315 HL21 4HJ 52 HL21 4HJ 52 33.014 -0.838 -9.929 316 HL23 4HJ 52 HL23 4HJ 52 31.525 -1.733 -10.006 317 HM 4HJ 52 HM 4HJ 52 34.862 -1.597 -11.579 318 HN 4HJ 52 HN 4HJ 52 37.388 -2.766 -9.168 319 HL3 4HJ 52 HL3 4HJ 52 35.062 -4.038 -10.199 320 HO2 4HJ 52 HO2 4HJ 52 36.554 -2.032 -6.748 321 HO3 4HJ 52 HO3 4HJ 52 35.299 -3.235 -7.175 322 HP2 4HJ 52 HP2 4HJ 52 36.691 -4.993 -7.210 323 HP3 4HJ 52 HP3 4HJ 52 38.146 -3.965 -7.345 324 HS2 4HJ 52 HS2 4HJ 52 34.871 -3.574 -4.780 325 HS3 4HJ 52 HS3 4HJ 52 35.626 -3.628 -3.159 326 HT3 4HJ 52 HT3 4HJ 52 34.765 -5.946 -2.967 327 HT2 4HJ 52 HT2 4HJ 52 33.468 -4.793 -3.248 328 HY2 4HJ 52 HY2 4HJ 52 32.685 -7.131 -7.067 329 HR 4HJ 52 HR 4HJ 52 36.726 -5.732 -4.488 330 H ILE 53 H ILE 53 28.127 -7.947 -12.376 331 HA ILE 53 HA ILE 53 27.554 -5.403 -13.497 332 HB ILE 53 HB ILE 53 28.440 -7.747 -14.645 333 HG12 ILE 53 HG12 ILE 53 28.862 -5.554 -15.460 334 HG13 ILE 53 HG11 ILE 53 28.222 -6.575 -16.749 335 HG21 ILE 53 HG21 ILE 53 26.279 -8.831 -14.751 336 HG22 ILE 53 HG22 ILE 53 26.702 -8.334 -16.395 337 HG23 ILE 53 HG23 ILE 53 25.538 -7.398 -15.455 338 HD11 ILE 53 HD11 ILE 53 26.710 -4.487 -15.184 339 HD12 ILE 53 HD12 ILE 53 25.996 -5.563 -16.353 340 HD13 ILE 53 HD13 ILE 53 27.196 -4.352 -16.886 341 H ARG 54 H ARG 54 25.902 -8.189 -12.365 342 HA ARG 54 HA ARG 54 23.234 -7.222 -12.831 343 HB2 ARG 54 HB2 ARG 54 24.401 -9.221 -10.916 344 HB3 ARG 54 HB3 ARG 54 22.731 -8.680 -10.731 345 HG2 ARG 54 HG2 ARG 54 22.845 -10.757 -11.989 346 HG3 ARG 54 HG3 ARG 54 22.231 -9.446 -12.992 347 HD2 ARG 54 HD2 ARG 54 24.597 -9.155 -13.806 348 HD3 ARG 54 HD3 ARG 54 24.952 -10.705 -13.020 349 HE ARG 54 HE ARG 54 22.754 -10.542 -14.924 350 HH11 ARG 54 HH11 ARG 54 25.996 -11.803 -14.245 351 HH12 ARG 54 HH12 ARG 54 26.057 -12.760 -15.641 352 HH21 ARG 54 HH21 ARG 54 22.779 -11.731 -16.686 353 HH22 ARG 54 HH22 ARG 54 24.082 -12.763 -17.167 354 H LEU 55 H LEU 55 25.413 -6.905 -10.080 355 HA LEU 55 HA LEU 55 23.806 -5.229 -8.560 356 HB2 LEU 55 HB2 LEU 55 26.784 -5.416 -8.808 357 HB3 LEU 55 HB3 LEU 55 26.021 -4.301 -7.705 358 HG LEU 55 HG LEU 55 25.368 -7.233 -7.560 359 HD11 LEU 55 HD11 LEU 55 27.048 -7.402 -5.795 360 HD12 LEU 55 HD12 LEU 55 27.620 -5.782 -6.175 361 HD13 LEU 55 HD13 LEU 55 27.794 -7.079 -7.349 362 HD21 LEU 55 HD21 LEU 55 24.886 -6.598 -5.235 363 HD22 LEU 55 HD22 LEU 55 23.903 -5.709 -6.399 364 HD23 LEU 55 HD23 LEU 55 25.290 -4.932 -5.635 365 H MET 56 H MET 56 26.247 -4.194 -11.026 366 HA MET 56 HA MET 56 25.534 -1.485 -10.713 367 HB2 MET 56 HB2 MET 56 27.173 -2.960 -12.710 368 HB3 MET 56 HB3 MET 56 26.547 -1.400 -13.200 369 HG2 MET 56 HG2 MET 56 28.695 -0.933 -12.436 370 HG3 MET 56 HG3 MET 56 27.671 -0.476 -11.095 371 HE1 MET 56 HE1 MET 56 27.182 -3.146 -9.388 372 HE2 MET 56 HE2 MET 56 27.780 -1.638 -8.724 373 HE3 MET 56 HE3 MET 56 28.621 -3.147 -8.366 374 H ARG 57 H ARG 57 24.071 -4.032 -12.480 375 HA ARG 57 HA ARG 57 22.541 -2.390 -14.260 376 HB2 ARG 57 HB2 ARG 57 23.220 -4.859 -14.586 377 HB3 ARG 57 HB3 ARG 57 21.930 -5.240 -13.462 378 HG2 ARG 57 HG2 ARG 57 21.225 -3.546 -15.774 379 HG3 ARG 57 HG3 ARG 57 21.627 -5.221 -16.110 380 HD2 ARG 57 HD2 ARG 57 19.685 -4.439 -13.997 381 HD3 ARG 57 HD3 ARG 57 19.180 -4.598 -15.689 382 HE ARG 57 HE ARG 57 20.532 -6.908 -14.527 383 HH11 ARG 57 HH11 ARG 57 17.431 -5.414 -15.287 384 HH12 ARG 57 HH12 ARG 57 16.535 -6.877 -15.216 385 HH21 ARG 57 HH21 ARG 57 19.300 -8.948 -14.428 386 HH22 ARG 57 HH22 ARG 57 17.635 -8.932 -14.672 387 H TRP 58 H TRP 58 22.207 -3.571 -11.062 388 HA TRP 58 HA TRP 58 19.433 -2.667 -10.715 389 HB2 TRP 58 HB2 TRP 58 21.434 -3.498 -8.610 390 HB3 TRP 58 HB3 TRP 58 19.699 -3.195 -8.389 391 HD1 TRP 58 HD1 TRP 58 21.772 -5.981 -8.625 392 HE1 TRP 58 HE1 TRP 58 20.646 -8.001 -9.818 393 HE3 TRP 58 HE3 TRP 58 17.739 -3.591 -10.675 394 HZ2 TRP 58 HZ2 TRP 58 18.392 -8.448 -11.405 395 HZ3 TRP 58 HZ3 TRP 58 16.144 -4.884 -11.989 396 HH2 TRP 58 HH2 TRP 58 16.452 -7.274 -12.337 397 H LEU 59 H LEU 59 22.556 -1.476 -9.938 398 HA LEU 59 HA LEU 59 21.996 0.750 -8.470 399 HB2 LEU 59 HB2 LEU 59 24.106 -0.050 -10.277 400 HB3 LEU 59 HB3 LEU 59 23.918 1.686 -10.167 401 HG LEU 59 HG LEU 59 25.583 0.811 -8.601 402 HD11 LEU 59 HD11 LEU 59 23.122 1.932 -7.268 403 HD12 LEU 59 HD12 LEU 59 24.260 2.848 -8.220 404 HD13 LEU 59 HD13 LEU 59 24.800 2.089 -6.700 405 HD21 LEU 59 HD21 LEU 59 24.537 -1.371 -8.172 406 HD22 LEU 59 HD22 LEU 59 23.207 -0.578 -7.357 407 HD23 LEU 59 HD23 LEU 59 24.838 -0.498 -6.665 408 H HIS 60 H HIS 60 22.042 0.636 -11.973 409 HA HIS 60 HA HIS 60 21.259 3.371 -12.026 410 HB2 HIS 60 HB2 HIS 60 21.627 3.332 -14.385 411 HB3 HIS 60 HB3 HIS 60 22.869 2.407 -13.539 412 HD1 HIS 60 HD1 HIS 60 23.252 -0.020 -14.330 413 HD2 HIS 60 HD2 HIS 60 19.761 1.657 -15.852 414 HE1 HIS 60 HE1 HIS 60 22.441 -1.570 -16.147 415 H TRP 61 H TRP 61 19.656 0.472 -11.840 416 HA TRP 61 HA TRP 61 17.324 1.084 -13.309 417 HB2 TRP 61 HB2 TRP 61 18.184 -1.204 -12.657 418 HB3 TRP 61 HB3 TRP 61 17.643 -0.859 -11.027 419 HD1 TRP 61 HD1 TRP 61 16.151 -1.112 -14.580 420 HE1 TRP 61 HE1 TRP 61 13.754 -1.994 -14.379 421 HE3 TRP 61 HE3 TRP 61 15.824 -1.290 -9.510 422 HZ2 TRP 61 HZ2 TRP 61 11.950 -2.693 -12.307 423 HZ3 TRP 61 HZ3 TRP 61 13.739 -2.076 -8.493 424 HH2 TRP 61 HH2 TRP 61 11.853 -2.759 -9.859 425 H PHE 62 H PHE 62 17.816 0.913 -9.738 426 HA PHE 62 HA PHE 62 15.506 2.584 -9.258 427 HB2 PHE 62 HB2 PHE 62 17.052 2.914 -6.958 428 HB3 PHE 62 HB3 PHE 62 15.700 1.811 -7.167 429 HD1 PHE 62 HD1 PHE 62 19.247 2.228 -7.139 430 HD2 PHE 62 HD2 PHE 62 16.029 -0.455 -7.481 431 HE1 PHE 62 HE1 PHE 62 20.824 0.286 -6.821 432 HE2 PHE 62 HE2 PHE 62 17.475 -2.356 -7.186 433 HZ PHE 62 HZ PHE 62 19.899 -2.027 -6.908 434 H ARG 63 H ARG 63 18.662 3.282 -10.112 435 HA ARG 63 HA ARG 63 18.781 5.848 -9.181 436 HB2 ARG 63 HB2 ARG 63 20.692 4.727 -10.286 437 HB3 ARG 63 HB3 ARG 63 19.868 4.890 -11.832 438 HG2 ARG 63 HG2 ARG 63 21.591 6.581 -11.588 439 HG3 ARG 63 HG3 ARG 63 19.989 7.322 -11.646 440 HD2 ARG 63 HD2 ARG 63 20.012 7.359 -9.135 441 HD3 ARG 63 HD3 ARG 63 21.683 6.823 -9.203 442 HE ARG 63 HE ARG 63 21.940 8.919 -10.668 443 HH11 ARG 63 HH11 ARG 63 20.027 8.589 -7.742 444 HH12 ARG 63 HH12 ARG 63 19.891 10.232 -7.372 445 HH21 ARG 63 HH21 ARG 63 21.880 11.277 -10.185 446 HH22 ARG 63 HH22 ARG 63 21.038 11.829 -8.817 447 H LYS 64 H LYS 64 16.863 4.542 -11.916 448 HA LYS 64 HA LYS 64 16.153 7.157 -12.785 449 HB2 LYS 64 HB2 LYS 64 14.366 6.106 -14.224 450 HB3 LYS 64 HB3 LYS 64 15.994 5.580 -14.566 451 HG2 LYS 64 HG2 LYS 64 14.461 3.731 -14.746 452 HG3 LYS 64 HG3 LYS 64 15.545 3.506 -13.370 453 HD2 LYS 64 HD2 LYS 64 13.807 4.341 -11.892 454 HD3 LYS 64 HD3 LYS 64 12.692 4.471 -13.244 455 HE2 LYS 64 HE2 LYS 64 12.660 2.075 -13.587 456 HE3 LYS 64 HE3 LYS 64 14.014 1.840 -12.485 457 HZ1 LYS 64 HZ1 LYS 64 11.283 2.750 -11.654 458 HZ2 LYS 64 HZ2 LYS 64 12.622 2.537 -10.667 459 HZ3 LYS 64 HZ3 LYS 64 11.918 1.217 -11.341 460 H ASN 65 H ASN 65 15.304 5.533 -10.127 461 HA ASN 65 HA ASN 65 12.699 6.816 -9.758 462 HB2 ASN 65 HB2 ASN 65 14.387 5.426 -7.646 463 HB3 ASN 65 HB3 ASN 65 12.675 5.770 -7.570 464 HD21 ASN 65 HD21 ASN 65 12.248 3.612 -7.062 465 HD22 ASN 65 HD22 ASN 65 12.380 2.345 -8.246 466 H GLY 66 H GLY 66 15.946 7.499 -9.591 467 HA2 GLY 66 HA2 GLY 66 16.837 9.603 -9.081 468 HA3 GLY 66 HA3 GLY 66 15.493 9.883 -7.986 469 H TYR 67 H TYR 67 16.864 6.748 -7.503 470 HA TYR 67 HA TYR 67 17.634 7.659 -4.929 471 HB2 TYR 67 HB2 TYR 67 17.633 4.930 -6.150 472 HB3 TYR 67 HB3 TYR 67 18.229 5.253 -4.519 473 HD1 TYR 67 HD2 TYR 67 16.571 7.000 -3.279 474 HD2 TYR 67 HD1 TYR 67 15.487 4.105 -6.172 475 HE1 TYR 67 HE2 TYR 67 14.283 7.027 -2.394 476 HE2 TYR 67 HE1 TYR 67 13.168 4.107 -5.298 477 HH TYR 67 HH TYR 67 12.163 4.734 -2.894 478 H ARG 68 H ARG 68 19.496 7.831 -3.918 479 HA ARG 68 HA ARG 68 21.867 7.896 -5.519 480 HB2 ARG 68 HB2 ARG 68 21.425 9.838 -4.110 481 HB3 ARG 68 HB3 ARG 68 21.074 8.749 -2.755 482 HG2 ARG 68 HG2 ARG 68 23.281 7.915 -2.860 483 HG3 ARG 68 HG3 ARG 68 23.732 9.131 -4.069 484 HD2 ARG 68 HD2 ARG 68 23.303 10.914 -2.437 485 HD3 ARG 68 HD3 ARG 68 22.705 9.734 -1.266 486 HE ARG 68 HE ARG 68 25.385 9.229 -2.148 487 HH11 ARG 68 HH11 ARG 68 23.520 11.067 0.341 488 HH12 ARG 68 HH12 ARG 68 24.841 11.071 1.415 489 HH21 ARG 68 HH21 ARG 68 27.134 9.296 -0.518 490 HH22 ARG 68 HH22 ARG 68 26.810 10.082 0.948 491 H LEU 69 H LEU 69 22.557 5.683 -5.580 492 HA LEU 69 HA LEU 69 23.082 4.662 -2.909 493 HB2 LEU 69 HB2 LEU 69 22.263 2.976 -5.276 494 HB3 LEU 69 HB3 LEU 69 22.810 2.363 -3.736 495 HG LEU 69 HG LEU 69 20.216 3.840 -4.248 496 HD11 LEU 69 HD11 LEU 69 19.155 1.766 -3.578 497 HD12 LEU 69 HD12 LEU 69 20.730 0.988 -3.429 498 HD13 LEU 69 HD13 LEU 69 20.162 1.548 -5.001 499 HD21 LEU 69 HD21 LEU 69 19.682 3.385 -1.890 500 HD22 LEU 69 HD22 LEU 69 21.038 4.484 -2.078 501 HD23 LEU 69 HD23 LEU 69 21.329 2.793 -1.638 502 H THR 70 H THR 70 24.878 4.016 -2.500 503 HA THR 70 HA THR 70 26.970 4.377 -4.497 504 HB THR 70 HB THR 70 27.284 3.770 -1.538 505 HG1 THR 70 HG1 THR 70 26.070 5.512 -1.446 506 HG21 THR 70 HG21 THR 70 29.382 5.037 -1.801 507 HG22 THR 70 HG22 THR 70 28.987 5.342 -3.492 508 HG23 THR 70 HG23 THR 70 29.310 3.697 -2.945 509 H LEU 71 H LEU 71 28.573 2.454 -4.449 510 HA LEU 71 HA LEU 71 27.008 0.150 -4.784 511 HB2 LEU 71 HB2 LEU 71 30.024 0.275 -4.722 512 HB3 LEU 71 HB3 LEU 71 29.018 -1.061 -5.266 513 HG LEU 71 HG LEU 71 29.815 -0.007 -7.233 514 HD11 LEU 71 HD11 LEU 71 27.810 0.611 -8.356 515 HD12 LEU 71 HD12 LEU 71 27.062 1.069 -6.832 516 HD13 LEU 71 HD13 LEU 71 27.402 -0.623 -7.150 517 HD21 LEU 71 HD21 LEU 71 28.765 2.579 -6.154 518 HD22 LEU 71 HD22 LEU 71 29.547 2.363 -7.730 519 HD23 LEU 71 HD23 LEU 71 30.478 2.156 -6.234 520 H ARG 72 H ARG 72 28.557 1.452 -2.257 521 HA ARG 72 HA ARG 72 29.505 -0.532 -0.489 522 HB2 ARG 72 HB2 ARG 72 29.932 1.761 -0.049 523 HB3 ARG 72 HB3 ARG 72 28.229 2.170 -0.100 524 HG2 ARG 72 HG2 ARG 72 28.042 0.671 1.990 525 HG3 ARG 72 HG3 ARG 72 29.797 0.871 2.099 526 HD2 ARG 72 HD2 ARG 72 28.628 2.570 3.463 527 HD3 ARG 72 HD3 ARG 72 29.509 3.326 2.135 528 HE ARG 72 HE ARG 72 27.005 2.957 1.099 529 HH11 ARG 72 HH11 ARG 72 28.016 4.708 4.102 530 HH12 ARG 72 HH12 ARG 72 26.656 5.749 3.974 531 HH21 ARG 72 HH21 ARG 72 25.280 4.416 1.079 532 HH22 ARG 72 HH22 ARG 72 25.206 5.647 2.292 533 H GLU 73 H GLU 73 26.293 1.008 -0.418 534 HA GLU 73 HA GLU 73 25.353 -0.639 1.549 535 HB2 GLU 73 HB2 GLU 73 23.037 0.232 0.764 536 HB3 GLU 73 HB3 GLU 73 24.207 1.335 1.474 537 HG2 GLU 73 HG2 GLU 73 24.402 0.854 -1.274 538 HG3 GLU 73 HG3 GLU 73 22.917 1.774 -0.866 539 H LEU 74 H LEU 74 25.271 -1.170 -1.905 540 HA LEU 74 HA LEU 74 23.428 -3.353 -1.764 541 HB2 LEU 74 HB2 LEU 74 25.464 -2.724 -3.930 542 HB3 LEU 74 HB3 LEU 74 24.203 -3.916 -4.045 543 HG LEU 74 HG LEU 74 23.538 -2.110 -5.332 544 HD11 LEU 74 HD11 LEU 74 21.725 -3.024 -4.064 545 HD12 LEU 74 HD12 LEU 74 21.488 -1.296 -4.325 546 HD13 LEU 74 HD13 LEU 74 22.032 -1.884 -2.753 547 HD21 LEU 74 HD21 LEU 74 23.411 0.196 -4.598 548 HD22 LEU 74 HD22 LEU 74 25.059 -0.439 -4.446 549 HD23 LEU 74 HD23 LEU 74 24.042 -0.273 -3.020 550 H TYR 75 H TYR 75 26.837 -2.934 -1.517 551 HA TYR 75 HA TYR 75 27.529 -5.719 -1.690 552 HB2 TYR 75 HB2 TYR 75 28.908 -3.173 -1.320 553 HB3 TYR 75 HB3 TYR 75 29.843 -4.530 -0.816 554 HD1 TYR 75 HD1 TYR 75 29.009 -6.511 -2.968 555 HD2 TYR 75 HD2 TYR 75 29.898 -2.361 -3.154 556 HE1 TYR 75 HE1 TYR 75 29.643 -6.744 -5.380 557 HE2 TYR 75 HE2 TYR 75 30.537 -2.600 -5.527 558 HH TYR 75 HH TYR 75 29.953 -5.473 -7.317 559 H ALA 76 H ALA 76 27.244 -3.352 0.883 560 HA ALA 76 HA ALA 76 28.404 -5.037 2.797 561 HB1 ALA 76 HB1 ALA 76 27.712 -3.381 4.464 562 HB2 ALA 76 HB2 ALA 76 26.678 -2.607 3.264 563 HB3 ALA 76 HB3 ALA 76 28.427 -2.609 3.049 564 H ALA 77 H ALA 77 25.091 -4.424 1.820 565 HA ALA 77 HA ALA 77 24.333 -6.729 3.409 566 HB1 ALA 77 HB1 ALA 77 22.268 -5.667 4.159 567 HB2 ALA 77 HB2 ALA 77 22.725 -4.173 3.342 568 HB3 ALA 77 HB3 ALA 77 23.672 -4.753 4.713 569 HA PRO 78 HA PRO 78 22.724 -7.001 -0.837 570 HB2 PRO 78 HB2 PRO 78 23.852 -9.578 -1.168 571 HB3 PRO 78 HB3 PRO 78 24.471 -8.063 -1.853 572 HG2 PRO 78 HG2 PRO 78 25.765 -9.594 0.069 573 HG3 PRO 78 HG3 PRO 78 26.129 -7.910 -0.348 574 HD2 PRO 78 HD2 PRO 78 24.582 -8.987 1.944 575 HD3 PRO 78 HD3 PRO 78 25.611 -7.542 1.837 576 H THR 79 H THR 79 20.726 -7.164 0.185 577 HA THR 79 HA THR 79 19.509 -9.791 0.142 578 HB THR 79 HB THR 79 18.336 -9.262 2.334 579 HG1 THR 79 HG1 THR 79 20.386 -7.323 2.487 580 HG21 THR 79 HG21 THR 79 21.332 -9.610 2.615 581 HG22 THR 79 HG22 THR 79 20.163 -10.906 2.363 582 HG23 THR 79 HG23 THR 79 20.133 -9.973 3.860 583 H LEU 80 H LEU 80 17.268 -9.445 -0.504 584 HA LEU 80 HA LEU 80 16.669 -6.859 -1.462 585 HB2 LEU 80 HB2 LEU 80 15.036 -9.289 -1.010 586 HB3 LEU 80 HB3 LEU 80 14.273 -7.862 -1.628 587 HG LEU 80 HG LEU 80 16.432 -9.482 -2.739 588 HD11 LEU 80 HD11 LEU 80 13.727 -8.620 -3.793 589 HD12 LEU 80 HD12 LEU 80 14.035 -10.229 -3.118 590 HD13 LEU 80 HD13 LEU 80 14.761 -9.740 -4.667 591 HD21 LEU 80 HD21 LEU 80 17.071 -7.227 -3.315 592 HD22 LEU 80 HD22 LEU 80 15.423 -6.844 -3.826 593 HD23 LEU 80 HD23 LEU 80 16.394 -7.957 -4.767 594 H ALA 81 H ALA 81 16.104 -8.465 1.323 595 HA ALA 81 HA ALA 81 14.321 -6.849 2.744 596 HB1 ALA 81 HB1 ALA 81 15.246 -8.878 3.722 597 HB2 ALA 81 HB2 ALA 81 15.438 -7.516 4.826 598 HB3 ALA 81 HB3 ALA 81 16.818 -8.099 3.893 599 H ALA 82 H ALA 82 17.870 -6.368 2.567 600 HA ALA 82 HA ALA 82 17.678 -3.828 3.873 601 HB1 ALA 82 HB1 ALA 82 20.001 -5.005 2.360 602 HB2 ALA 82 HB2 ALA 82 19.692 -5.205 4.084 603 HB3 ALA 82 HB3 ALA 82 20.057 -3.607 3.432 604 H TRP 83 H TRP 83 17.938 -4.930 0.536 605 HA TRP 83 HA TRP 83 18.413 -2.383 -0.559 606 HB2 TRP 83 HB2 TRP 83 17.203 -4.833 -1.843 607 HB3 TRP 83 HB3 TRP 83 17.602 -3.368 -2.722 608 HD1 TRP 83 HD1 TRP 83 20.226 -4.175 -0.161 609 HE1 TRP 83 HE1 TRP 83 22.264 -5.234 -1.278 610 HE3 TRP 83 HE3 TRP 83 18.227 -4.987 -4.768 611 HZ2 TRP 83 HZ2 TRP 83 22.940 -6.306 -3.823 612 HZ3 TRP 83 HZ3 TRP 83 19.629 -6.043 -6.505 613 HH2 TRP 83 HH2 TRP 83 21.935 -6.680 -6.038 614 H ASN 84 H ASN 84 15.422 -4.073 0.180 615 HA ASN 84 HA ASN 84 13.630 -2.234 -0.956 616 HB2 ASN 84 HB2 ASN 84 12.952 -4.447 -0.048 617 HB3 ASN 84 HB3 ASN 84 13.279 -3.865 1.578 618 HD21 ASN 84 HD21 ASN 84 11.170 -4.233 2.221 619 HD22 ASN 84 HD22 ASN 84 9.861 -3.229 1.689 620 H GLN 85 H GLN 85 15.231 -2.336 2.163 621 HA GLN 85 HA GLN 85 14.019 -0.010 3.218 622 HB2 GLN 85 HB2 GLN 85 16.605 -1.400 3.915 623 HB3 GLN 85 HB3 GLN 85 15.960 -0.039 4.826 624 HG2 GLN 85 HG2 GLN 85 14.011 -1.293 5.437 625 HG3 GLN 85 HG3 GLN 85 14.481 -2.619 4.378 626 HE21 GLN 85 HE21 GLN 85 16.042 -4.011 5.022 627 HE22 GLN 85 HE22 GLN 85 16.661 -4.053 6.647 628 H LEU 86 H LEU 86 16.882 -0.546 1.271 629 HA LEU 86 HA LEU 86 17.862 2.083 1.315 630 HB2 LEU 86 HB2 LEU 86 18.109 -0.011 -0.826 631 HB3 LEU 86 HB3 LEU 86 19.030 1.479 -0.780 632 HG LEU 86 HG LEU 86 19.115 -0.674 1.295 633 HD11 LEU 86 HD11 LEU 86 21.345 -1.159 0.377 634 HD12 LEU 86 HD12 LEU 86 21.101 0.110 -0.827 635 HD13 LEU 86 HD13 LEU 86 20.107 -1.344 -0.875 636 HD21 LEU 86 HD21 LEU 86 20.782 1.813 0.956 637 HD22 LEU 86 HD22 LEU 86 21.088 0.535 2.132 638 HD23 LEU 86 HD23 LEU 86 19.613 1.493 2.237 639 H MET 87 H MET 87 15.394 0.481 -0.486 640 HA MET 87 HA MET 87 15.037 2.617 -2.359 641 HB2 MET 87 HB2 MET 87 13.424 0.119 -1.881 642 HB3 MET 87 HB3 MET 87 13.119 1.277 -3.172 643 HG2 MET 87 HG2 MET 87 15.312 0.851 -4.114 644 HG3 MET 87 HG3 MET 87 15.684 -0.251 -2.793 645 HE1 MET 87 HE1 MET 87 13.476 0.459 -5.871 646 HE2 MET 87 HE2 MET 87 12.206 0.021 -4.684 647 HE3 MET 87 HE3 MET 87 12.563 -1.042 -6.041 648 H LEU 88 H LEU 88 13.708 1.814 0.727 649 HA LEU 88 HA LEU 88 11.832 3.926 0.230 650 HB2 LEU 88 HB2 LEU 88 10.556 3.165 2.245 651 HB3 LEU 88 HB3 LEU 88 10.496 2.250 0.762 652 HG LEU 88 HG LEU 88 12.281 0.783 1.855 653 HD11 LEU 88 HD11 LEU 88 12.208 0.731 4.280 654 HD12 LEU 88 HD12 LEU 88 11.091 2.111 4.258 655 HD13 LEU 88 HD13 LEU 88 12.737 2.307 3.654 656 HD21 LEU 88 HD21 LEU 88 10.480 -0.535 2.828 657 HD22 LEU 88 HD22 LEU 88 10.089 0.239 1.263 658 HD23 LEU 88 HD23 LEU 88 9.452 0.925 2.753 659 H SER 89 H SER 89 14.317 3.206 2.578 660 HA SER 89 HA SER 89 14.060 5.962 3.739 661 HB2 SER 89 HB2 SER 89 15.379 3.483 4.847 662 HB3 SER 89 HB3 SER 89 15.195 5.044 5.651 663 HG SER 89 HG SER 89 12.809 4.468 5.010 664 H ARG 90 H ARG 90 15.906 4.119 1.518 665 HA ARG 90 HA ARG 90 17.765 4.211 0.654 666 HB2 ARG 90 HB2 ARG 90 16.758 6.360 0.044 667 HB3 ARG 90 HB3 ARG 90 17.675 7.121 1.338 668 HG2 ARG 90 HG2 ARG 90 19.065 5.429 -0.542 669 HG3 ARG 90 HG3 ARG 90 18.441 6.991 -1.115 670 HD2 ARG 90 HD2 ARG 90 19.879 8.199 0.360 671 HD3 ARG 90 HD3 ARG 90 19.936 6.805 1.452 672 HE ARG 90 HE ARG 90 21.243 6.105 -0.891 673 HH11 ARG 90 HH11 ARG 90 21.848 8.610 1.585 674 HH12 ARG 90 HH12 ARG 90 23.459 8.104 1.753 675 HH21 ARG 90 HH21 ARG 90 23.591 5.566 -0.534 676 HH22 ARG 90 HH22 ARG 90 24.390 6.570 0.617 677 H SER 91 H SER 91 17.844 5.092 3.879 678 HA SER 91 HA SER 91 19.339 5.072 5.500 679 HB2 SER 91 HB2 SER 91 21.278 3.774 3.534 680 HB3 SER 91 HB3 SER 91 21.514 3.886 5.280 681 HG SER 91 HG SER 91 20.143 2.099 3.850 682 HA PRO 92 HA PRO 92 19.710 9.397 4.158 683 HB2 PRO 92 HB2 PRO 92 21.143 9.010 6.749 684 HB3 PRO 92 HB3 PRO 92 20.203 10.422 6.203 685 HG2 PRO 92 HG2 PRO 92 19.062 8.482 7.679 686 HG3 PRO 92 HG3 PRO 92 18.175 9.394 6.445 687 HD2 PRO 92 HD2 PRO 92 18.801 6.595 6.463 688 HD3 PRO 92 HD3 PRO 92 17.863 7.444 5.239 689 H GLU 93 H GLU 93 22.729 7.978 5.351 690 HA GLU 93 HA GLU 93 24.031 9.462 3.195 691 HB2 GLU 93 HB2 GLU 93 24.488 10.634 5.300 692 HB3 GLU 93 HB3 GLU 93 25.134 9.162 6.001 693 HG2 GLU 93 HG2 GLU 93 26.855 10.821 5.271 694 HG3 GLU 93 HG3 GLU 93 27.040 9.217 4.570 Start of MODEL 7 1 H ASP 14 HT1 ASP 14 -1.009 3.377 -3.809 2 HA ASP 14 HA ASP 14 0.613 1.721 -2.967 3 HB2 ASP 14 HB2 ASP 14 1.611 0.251 -4.687 4 HB3 ASP 14 HB3 ASP 14 -0.116 -0.090 -4.534 5 H ASN 15 H ASN 15 2.904 1.678 -4.594 6 HA ASN 15 HA ASN 15 3.119 4.299 -5.816 7 HB2 ASN 15 HB2 ASN 15 3.890 4.539 -3.417 8 HB3 ASN 15 HB3 ASN 15 5.054 3.256 -3.704 9 HD21 ASN 15 HD21 ASN 15 5.442 6.041 -2.900 10 HD22 ASN 15 HD22 ASN 15 6.498 6.740 -4.071 11 H ARG 16 H ARG 16 3.963 4.000 -7.680 12 HA ARG 16 HA ARG 16 4.610 1.477 -8.710 13 HB2 ARG 16 HB2 ARG 16 5.346 4.171 -9.843 14 HB3 ARG 16 HB3 ARG 16 5.313 2.656 -10.724 15 HG2 ARG 16 HG2 ARG 16 2.949 4.031 -9.485 16 HG3 ARG 16 HG3 ARG 16 3.349 4.034 -11.208 17 HD2 ARG 16 HD2 ARG 16 3.146 1.510 -11.113 18 HD3 ARG 16 HD3 ARG 16 2.492 1.703 -9.487 19 HE ARG 16 HE ARG 16 1.285 2.890 -11.886 20 HH11 ARG 16 HH11 ARG 16 0.880 1.283 -8.704 21 HH12 ARG 16 HH12 ARG 16 -0.746 1.195 -8.774 22 HH21 ARG 16 HH21 ARG 16 -1.099 2.711 -12.006 23 HH22 ARG 16 HH22 ARG 16 -1.927 1.981 -10.707 24 H HIS 17 H HIS 17 6.598 3.908 -7.249 25 HA HIS 17 HA HIS 17 8.977 2.714 -8.264 26 HB2 HIS 17 HB2 HIS 17 8.511 5.131 -6.554 27 HB3 HIS 17 HB3 HIS 17 10.137 4.489 -6.816 28 HD1 HIS 17 HD1 HIS 17 8.960 7.297 -8.030 29 HD2 HIS 17 HD2 HIS 17 9.537 3.676 -10.015 30 HE1 HIS 17 HE1 HIS 17 9.204 7.865 -10.467 31 H ALA 18 H ALA 18 7.091 2.255 -5.528 32 HA ALA 18 HA ALA 18 9.212 0.764 -4.156 33 HB1 ALA 18 HB1 ALA 18 6.247 0.962 -3.573 34 HB2 ALA 18 HB2 ALA 18 7.536 1.913 -2.808 35 HB3 ALA 18 HB3 ALA 18 7.477 0.165 -2.578 36 H ALA 19 H ALA 19 6.760 0.413 -6.510 37 HA ALA 19 HA ALA 19 6.527 -2.416 -6.384 38 HB1 ALA 19 HB1 ALA 19 5.851 -0.548 -8.663 39 HB2 ALA 19 HB2 ALA 19 4.750 -1.022 -7.369 40 HB3 ALA 19 HB3 ALA 19 5.338 -2.229 -8.514 41 H ASP 20 H ASP 20 8.786 -0.174 -7.801 42 HA ASP 20 HA ASP 20 10.046 -1.663 -9.697 43 HB2 ASP 20 HB2 ASP 20 11.184 0.249 -7.684 44 HB3 ASP 20 HB3 ASP 20 12.293 -0.698 -8.659 45 H TYR 21 H TYR 21 10.185 -1.920 -6.224 46 HA TYR 21 HA TYR 21 12.288 -3.819 -5.836 47 HB2 TYR 21 HB2 TYR 21 11.369 -2.470 -4.015 48 HB3 TYR 21 HB3 TYR 21 9.804 -3.240 -4.222 49 HD1 TYR 21 HD1 TYR 21 13.343 -4.013 -3.493 50 HD2 TYR 21 HD2 TYR 21 9.275 -5.100 -2.971 51 HE1 TYR 21 HE1 TYR 21 14.021 -5.737 -1.946 52 HE2 TYR 21 HE2 TYR 21 9.931 -6.851 -1.397 53 HH TYR 21 HH TYR 21 13.011 -6.961 -0.063 54 H GLN 22 H GLN 22 8.887 -4.258 -6.523 55 HA GLN 22 HA GLN 22 9.095 -7.107 -6.165 56 HB2 GLN 22 HB2 GLN 22 6.887 -5.475 -7.434 57 HB3 GLN 22 HB3 GLN 22 6.793 -7.199 -7.106 58 HG2 GLN 22 HG2 GLN 22 7.150 -5.048 -5.020 59 HG3 GLN 22 HG3 GLN 22 5.628 -5.839 -5.414 60 HE21 GLN 22 HE21 GLN 22 5.388 -6.611 -3.324 61 HE22 GLN 22 HE22 GLN 22 6.357 -7.899 -2.691 62 H GLN 23 H GLN 23 9.162 -4.891 -8.838 63 HA GLN 23 HA GLN 23 9.304 -6.840 -10.900 64 HB2 GLN 23 HB2 GLN 23 8.504 -4.572 -11.276 65 HB3 GLN 23 HB3 GLN 23 10.031 -3.910 -10.742 66 HG2 GLN 23 HG2 GLN 23 11.125 -4.727 -12.717 67 HG3 GLN 23 HG3 GLN 23 9.664 -5.582 -13.211 68 HE21 GLN 23 HE21 GLN 23 11.035 -2.381 -12.695 69 HE22 GLN 23 HE22 GLN 23 9.901 -1.562 -13.705 70 H LEU 24 H LEU 24 11.553 -5.315 -8.781 71 HA LEU 24 HA LEU 24 14.040 -5.969 -9.937 72 HB2 LEU 24 HB2 LEU 24 13.356 -4.487 -7.848 73 HB3 LEU 24 HB3 LEU 24 13.470 -5.966 -6.952 74 HG LEU 24 HG LEU 24 15.752 -4.630 -8.413 75 HD11 LEU 24 HD11 LEU 24 14.989 -3.356 -6.501 76 HD12 LEU 24 HD12 LEU 24 16.543 -4.117 -6.151 77 HD13 LEU 24 HD13 LEU 24 15.059 -4.798 -5.489 78 HD21 LEU 24 HD21 LEU 24 15.738 -6.970 -6.519 79 HD22 LEU 24 HD22 LEU 24 17.171 -6.196 -7.200 80 HD23 LEU 24 HD23 LEU 24 16.045 -7.062 -8.255 81 H ARG 25 H ARG 25 12.028 -7.595 -7.505 82 HA ARG 25 HA ARG 25 13.482 -9.959 -7.191 83 HB2 ARG 25 HB2 ARG 25 10.507 -9.482 -6.961 84 HB3 ARG 25 HB3 ARG 25 11.278 -10.996 -6.521 85 HG2 ARG 25 HG2 ARG 25 12.617 -9.815 -4.879 86 HG3 ARG 25 HG3 ARG 25 11.768 -8.307 -5.260 87 HD2 ARG 25 HD2 ARG 25 9.709 -9.224 -4.489 88 HD3 ARG 25 HD3 ARG 25 10.431 -10.841 -4.319 89 HE ARG 25 HE ARG 25 11.214 -8.514 -2.706 90 HH11 ARG 25 HH11 ARG 25 10.332 -11.980 -2.880 91 HH12 ARG 25 HH12 ARG 25 10.563 -12.223 -1.207 92 HH21 ARG 25 HH21 ARG 25 11.456 -8.915 -0.417 93 HH22 ARG 25 HH22 ARG 25 11.139 -10.488 0.202 94 H GLU 26 H GLU 26 10.836 -9.196 -9.382 95 HA GLU 26 HA GLU 26 10.462 -11.605 -10.632 96 HB2 GLU 26 HB2 GLU 26 9.103 -9.499 -10.633 97 HB3 GLU 26 HB3 GLU 26 10.237 -8.854 -11.802 98 HG2 GLU 26 HG2 GLU 26 8.758 -11.387 -12.226 99 HG3 GLU 26 HG3 GLU 26 8.077 -9.816 -12.622 100 H ARG 27 H ARG 27 12.470 -8.827 -11.840 101 HA ARG 27 HA ARG 27 13.600 -10.182 -13.983 102 HB2 ARG 27 HB2 ARG 27 13.528 -7.810 -13.790 103 HB3 ARG 27 HB3 ARG 27 14.639 -7.896 -12.419 104 HG2 ARG 27 HG2 ARG 27 15.668 -7.356 -14.453 105 HG3 ARG 27 HG3 ARG 27 16.272 -8.886 -13.702 106 HD2 ARG 27 HD2 ARG 27 14.785 -10.043 -15.453 107 HD3 ARG 27 HD3 ARG 27 14.640 -8.458 -16.228 108 HE ARG 27 HE ARG 27 17.339 -9.103 -15.732 109 HH11 ARG 27 HH11 ARG 27 14.755 -10.217 -17.888 110 HH12 ARG 27 HH12 ARG 27 15.779 -10.547 -19.186 111 HH21 ARG 27 HH21 ARG 27 18.727 -9.601 -17.405 112 HH22 ARG 27 HH22 ARG 27 18.182 -10.192 -18.921 113 H LEU 28 H LEU 28 14.634 -10.141 -10.594 114 HA LEU 28 HA LEU 28 17.169 -11.263 -11.094 115 HB2 LEU 28 HB2 LEU 28 15.414 -11.726 -8.682 116 HB3 LEU 28 HB3 LEU 28 17.128 -12.075 -8.782 117 HG LEU 28 HG LEU 28 15.777 -9.406 -8.727 118 HD11 LEU 28 HD11 LEU 28 17.209 -9.035 -6.806 119 HD12 LEU 28 HD12 LEU 28 17.835 -10.682 -6.963 120 HD13 LEU 28 HD13 LEU 28 16.126 -10.413 -6.593 121 HD21 LEU 28 HD21 LEU 28 17.426 -9.357 -10.442 122 HD22 LEU 28 HD22 LEU 28 18.666 -9.990 -9.361 123 HD23 LEU 28 HD23 LEU 28 17.971 -8.378 -9.087 124 H ILE 29 H ILE 29 14.041 -12.674 -10.665 125 HA ILE 29 HA ILE 29 14.828 -15.341 -10.554 126 HB ILE 29 HB ILE 29 12.346 -13.839 -10.794 127 HG12 ILE 29 HG12 ILE 29 11.577 -15.471 -9.196 128 HG13 ILE 29 HG11 ILE 29 13.017 -16.437 -9.477 129 HG21 ILE 29 HG21 ILE 29 10.887 -15.649 -11.500 130 HG22 ILE 29 HG22 ILE 29 12.296 -16.604 -11.967 131 HG23 ILE 29 HG23 ILE 29 11.935 -15.093 -12.808 132 HD11 ILE 29 HD11 ILE 29 13.174 -15.119 -7.448 133 HD12 ILE 29 HD12 ILE 29 12.955 -13.652 -8.433 134 HD13 ILE 29 HD13 ILE 29 14.397 -14.669 -8.658 135 H GLN 30 H GLN 30 14.310 -13.233 -13.212 136 HA GLN 30 HA GLN 30 14.176 -15.192 -15.257 137 HB2 GLN 30 HB2 GLN 30 15.240 -12.398 -15.478 138 HB3 GLN 30 HB3 GLN 30 14.585 -13.419 -16.757 139 HG2 GLN 30 HG2 GLN 30 12.370 -13.347 -15.536 140 HG3 GLN 30 HG3 GLN 30 13.173 -12.196 -14.458 141 HE21 GLN 30 HE21 GLN 30 11.409 -10.767 -15.203 142 HE22 GLN 30 HE22 GLN 30 11.626 -9.834 -16.599 143 H GLU 31 H GLU 31 16.752 -13.410 -13.707 144 HA GLU 31 HA GLU 31 18.734 -14.489 -15.505 145 HB2 GLU 31 HB2 GLU 31 19.092 -12.679 -13.109 146 HB3 GLU 31 HB3 GLU 31 20.323 -13.057 -14.311 147 HG2 GLU 31 HG2 GLU 31 18.729 -12.126 -16.036 148 HG3 GLU 31 HG3 GLU 31 17.782 -11.576 -14.649 149 H LEU 32 H LEU 32 17.461 -15.169 -12.375 150 HA LEU 32 HA LEU 32 19.680 -16.815 -11.668 151 HB2 LEU 32 HB2 LEU 32 17.076 -16.304 -10.219 152 HB3 LEU 32 HB3 LEU 32 18.448 -17.194 -9.587 153 HG LEU 32 HG LEU 32 18.242 -14.337 -10.296 154 HD11 LEU 32 HD11 LEU 32 18.739 -13.933 -7.903 155 HD12 LEU 32 HD12 LEU 32 18.678 -15.677 -7.637 156 HD13 LEU 32 HD13 LEU 32 17.236 -14.811 -8.186 157 HD21 LEU 32 HD21 LEU 32 20.419 -14.883 -10.941 158 HD22 LEU 32 HD22 LEU 32 20.737 -15.823 -9.480 159 HD23 LEU 32 HD23 LEU 32 20.601 -14.075 -9.391 160 H ASN 33 H ASN 33 16.684 -17.117 -13.286 161 HA ASN 33 HA ASN 33 15.298 -18.717 -13.925 162 HB2 ASN 33 HB2 ASN 33 17.785 -20.465 -13.727 163 HB3 ASN 33 HB3 ASN 33 16.266 -21.040 -14.400 164 HD21 ASN 33 HD21 ASN 33 18.977 -18.936 -14.850 165 HD22 ASN 33 HD22 ASN 33 18.688 -18.614 -16.532 166 H LEU 34 H LEU 34 14.285 -18.302 -11.884 167 HA LEU 34 HA LEU 34 14.345 -20.515 -9.972 168 HB2 LEU 34 HB2 LEU 34 16.116 -18.850 -9.525 169 HB3 LEU 34 HB3 LEU 34 14.891 -17.616 -9.439 170 HG LEU 34 HG LEU 34 14.002 -18.714 -7.418 171 HD11 LEU 34 HD11 LEU 34 16.471 -20.422 -7.742 172 HD12 LEU 34 HD12 LEU 34 14.808 -20.979 -7.909 173 HD13 LEU 34 HD13 LEU 34 15.396 -20.417 -6.339 174 HD21 LEU 34 HD21 LEU 34 15.574 -16.869 -7.481 175 HD22 LEU 34 HD22 LEU 34 16.916 -18.012 -7.395 176 HD23 LEU 34 HD23 LEU 34 15.775 -17.875 -6.041 177 H THR 35 H THR 35 12.631 -19.674 -8.094 178 HA THR 35 HA THR 35 10.468 -18.306 -9.441 179 HB THR 35 HB THR 35 9.088 -19.436 -7.527 180 HG1 THR 35 HG1 THR 35 10.810 -21.559 -7.578 181 HG21 THR 35 HG21 THR 35 8.859 -20.059 -9.889 182 HG22 THR 35 HG22 THR 35 8.779 -21.487 -8.856 183 HG23 THR 35 HG23 THR 35 10.257 -21.124 -9.748 184 HA PRO 36 HA PRO 36 11.104 -14.662 -7.301 185 HB2 PRO 36 HB2 PRO 36 8.378 -14.840 -6.126 186 HB3 PRO 36 HB3 PRO 36 9.196 -13.504 -6.983 187 HG2 PRO 36 HG2 PRO 36 7.418 -15.001 -8.254 188 HG3 PRO 36 HG3 PRO 36 8.880 -14.393 -9.054 189 HD2 PRO 36 HD2 PRO 36 8.244 -17.153 -8.183 190 HD3 PRO 36 HD3 PRO 36 9.284 -16.583 -9.503 191 H GLN 37 H GLN 37 9.569 -16.895 -4.949 192 HA GLN 37 HA GLN 37 11.146 -15.443 -3.010 193 HB2 GLN 37 HB2 GLN 37 8.720 -17.119 -2.509 194 HB3 GLN 37 HB3 GLN 37 9.781 -16.581 -1.210 195 HG2 GLN 37 HG2 GLN 37 9.447 -14.231 -2.137 196 HG3 GLN 37 HG3 GLN 37 8.115 -14.918 -3.062 197 HE21 GLN 37 HE21 GLN 37 9.309 -14.079 0.077 198 HE22 GLN 37 HE22 GLN 37 7.802 -14.250 0.902 199 H GLN 38 H GLN 38 11.874 -17.919 -4.799 200 HA GLN 38 HA GLN 38 13.099 -19.414 -2.626 201 HB2 GLN 38 HB2 GLN 38 13.010 -19.885 -5.612 202 HB3 GLN 38 HB3 GLN 38 13.946 -20.877 -4.507 203 HG2 GLN 38 HG2 GLN 38 10.962 -20.492 -4.364 204 HG3 GLN 38 HG3 GLN 38 11.774 -21.886 -5.071 205 HE21 GLN 38 HE21 GLN 38 9.912 -21.704 -2.810 206 HE22 GLN 38 HE22 GLN 38 10.766 -22.404 -1.471 207 H LEU 39 H LEU 39 13.672 -16.627 -3.686 208 HA LEU 39 HA LEU 39 16.517 -16.971 -4.157 209 HB2 LEU 39 HB2 LEU 39 16.621 -14.691 -4.969 210 HB3 LEU 39 HB3 LEU 39 15.261 -15.457 -5.743 211 HG LEU 39 HG LEU 39 13.751 -14.205 -4.125 212 HD11 LEU 39 HD11 LEU 39 15.512 -13.682 -2.445 213 HD12 LEU 39 HD12 LEU 39 14.625 -12.272 -3.001 214 HD13 LEU 39 HD13 LEU 39 16.248 -12.596 -3.614 215 HD21 LEU 39 HD21 LEU 39 13.915 -12.120 -5.355 216 HD22 LEU 39 HD22 LEU 39 14.095 -13.504 -6.437 217 HD23 LEU 39 HD23 LEU 39 15.513 -12.579 -5.933 218 H HIS 40 H HIS 40 17.950 -15.586 -2.885 219 HA HIS 40 HA HIS 40 17.370 -15.799 -0.138 220 HB2 HIS 40 HB2 HIS 40 19.635 -14.540 -1.678 221 HB3 HIS 40 HB3 HIS 40 19.665 -14.824 0.044 222 HD1 HIS 40 HD1 HIS 40 21.815 -16.014 -1.756 223 HD2 HIS 40 HD2 HIS 40 18.360 -18.037 -0.687 224 HE1 HIS 40 HE1 HIS 40 22.300 -18.479 -2.105 225 H GLU 41 H GLU 41 15.553 -14.343 0.093 226 HA GLU 41 HA GLU 41 16.041 -11.576 -0.605 227 HB2 GLU 41 HB2 GLU 41 13.752 -11.074 0.231 228 HB3 GLU 41 HB3 GLU 41 13.773 -12.286 -1.026 229 HG2 GLU 41 HG2 GLU 41 13.355 -14.029 0.601 230 HG3 GLU 41 HG3 GLU 41 13.479 -12.857 1.919 231 H GLU 42 H GLU 42 15.968 -13.582 2.105 232 HA GLU 42 HA GLU 42 16.668 -11.408 3.891 233 HB2 GLU 42 HB2 GLU 42 16.518 -13.523 5.532 234 HB3 GLU 42 HB3 GLU 42 15.105 -12.591 5.083 235 HG2 GLU 42 HG2 GLU 42 14.757 -15.068 5.028 236 HG3 GLU 42 HG3 GLU 42 14.408 -14.268 3.504 237 H SER 43 H SER 43 17.862 -14.168 2.202 238 HA SER 43 HA SER 43 20.306 -14.236 3.688 239 HB2 SER 43 HB2 SER 43 19.042 -15.875 1.543 240 HB3 SER 43 HB3 SER 43 20.728 -16.149 2.003 241 HG SER 43 HG SER 43 18.351 -16.450 3.580 242 H ASN 44 H ASN 44 22.288 -14.468 2.331 243 HA ASN 44 HA ASN 44 22.850 -12.016 1.039 244 HB2 ASN 44 HB2 ASN 44 24.554 -13.196 2.287 245 HB3 ASN 44 HB3 ASN 44 24.425 -14.584 1.219 246 HD21 ASN 44 HD21 ASN 44 26.590 -14.508 0.706 247 HD22 ASN 44 HD22 ASN 44 27.268 -13.281 -0.301 248 H LEU 45 H LEU 45 22.576 -11.371 -0.956 249 HA LEU 45 HA LEU 45 21.568 -13.141 -2.920 250 HB2 LEU 45 HB2 LEU 45 22.303 -10.226 -3.007 251 HB3 LEU 45 HB3 LEU 45 21.773 -11.097 -4.428 252 HG LEU 45 HG LEU 45 20.099 -10.813 -1.929 253 HD11 LEU 45 HD11 LEU 45 20.491 -8.624 -2.974 254 HD12 LEU 45 HD12 LEU 45 18.827 -9.165 -3.219 255 HD13 LEU 45 HD13 LEU 45 19.993 -9.285 -4.533 256 HD21 LEU 45 HD21 LEU 45 18.295 -11.532 -3.421 257 HD22 LEU 45 HD22 LEU 45 19.550 -12.759 -3.300 258 HD23 LEU 45 HD23 LEU 45 19.455 -11.733 -4.733 259 H ILE 46 H ILE 46 24.699 -11.979 -2.093 260 HA ILE 46 HA ILE 46 25.980 -12.484 -4.610 261 HB ILE 46 HB ILE 46 27.193 -12.301 -1.814 262 HG12 ILE 46 HG12 ILE 46 25.931 -10.267 -2.363 263 HG13 ILE 46 HG11 ILE 46 27.656 -9.952 -2.254 264 HG21 ILE 46 HG21 ILE 46 29.251 -11.626 -2.930 265 HG22 ILE 46 HG22 ILE 46 28.497 -11.933 -4.491 266 HG23 ILE 46 HG23 ILE 46 28.768 -13.275 -3.360 267 HD11 ILE 46 HD11 ILE 46 26.075 -10.280 -4.782 268 HD12 ILE 46 HD12 ILE 46 27.793 -9.851 -4.698 269 HD13 ILE 46 HD13 ILE 46 26.558 -8.750 -4.072 270 H GLN 47 H GLN 47 24.675 -14.448 -2.239 271 HA GLN 47 HA GLN 47 26.458 -16.696 -2.541 272 HB2 GLN 47 HB2 GLN 47 25.454 -16.037 -0.379 273 HB3 GLN 47 HB3 GLN 47 23.871 -16.319 -1.073 274 HG2 GLN 47 HG2 GLN 47 24.415 -18.660 -1.341 275 HG3 GLN 47 HG3 GLN 47 26.001 -18.355 -0.612 276 HE21 GLN 47 HE21 GLN 47 23.751 -20.049 0.308 277 HE22 GLN 47 HE22 GLN 47 23.375 -19.476 1.898 278 H ALA 48 H ALA 48 23.966 -15.288 -4.204 279 HA ALA 48 HA ALA 48 22.984 -17.784 -5.388 280 HB1 ALA 48 HB1 ALA 48 21.194 -16.311 -4.546 281 HB2 ALA 48 HB2 ALA 48 21.159 -16.360 -6.309 282 HB3 ALA 48 HB3 ALA 48 21.852 -14.966 -5.480 283 H GLY 49 H GLY 49 22.434 -17.024 -7.967 284 HA2 GLY 49 HA2 GLY 49 25.105 -16.577 -8.965 285 HA3 GLY 49 HA3 GLY 49 23.658 -16.818 -9.940 286 H LEU 50 H LEU 50 25.555 -14.511 -8.180 287 HA LEU 50 HA LEU 50 24.442 -12.355 -9.720 288 HB2 LEU 50 HB2 LEU 50 23.311 -12.505 -7.556 289 HB3 LEU 50 HB3 LEU 50 24.853 -12.517 -6.726 290 HG LEU 50 HG LEU 50 25.277 -10.281 -7.583 291 HD11 LEU 50 HD11 LEU 50 23.329 -8.992 -8.455 292 HD12 LEU 50 HD12 LEU 50 22.390 -10.484 -8.470 293 HD13 LEU 50 HD13 LEU 50 23.795 -10.312 -9.522 294 HD21 LEU 50 HD21 LEU 50 24.280 -10.699 -5.342 295 HD22 LEU 50 HD22 LEU 50 22.692 -10.433 -6.070 296 HD23 LEU 50 HD23 LEU 50 23.869 -9.127 -6.026 297 H ASP 51 H ASP 51 26.053 -10.647 -9.912 298 HA ASP 51 HA ASP 51 28.777 -11.468 -9.305 299 HB2 ASP 51 HB2 ASP 51 29.357 -10.614 -11.657 300 HB3 ASP 51 HB3 ASP 51 28.509 -12.139 -11.560 301 H 4HJ 52 H 4HJ 52 29.114 -8.975 -11.261 302 HA 4HJ 52 HA 4HJ 52 29.131 -6.914 -9.160 303 HAA 4HJ 52 HAA 4HJ 52 30.705 -10.275 -8.304 304 HB3 4HJ 52 HB3 4HJ 52 30.624 -5.826 -10.586 305 HB2 4HJ 52 HB2 4HJ 52 31.413 -7.312 -10.081 306 HZ1 4HJ 52 HZ1 4HJ 52 30.183 -11.200 -6.174 307 HZ2 4HJ 52 HZ2 4HJ 52 31.776 -8.103 -8.508 308 HZ 4HJ 52 HZ 4HJ 52 31.021 -9.391 -3.114 309 HJ2 4HJ 52 HJ2 4HJ 52 32.328 -3.362 -12.447 310 HJ3 4HJ 52 HJ3 4HJ 52 30.998 -3.921 -11.433 311 HL12 4HJ 52 HL12 4HJ 52 31.485 -4.418 -8.990 312 HL11 4HJ 52 HL11 4HJ 52 33.053 -4.115 -8.300 313 HL13 4HJ 52 HL13 4HJ 52 32.811 -5.376 -9.574 314 HL22 4HJ 52 HL22 4HJ 52 31.948 -1.417 -10.824 315 HL21 4HJ 52 HL21 4HJ 52 32.492 -1.544 -9.110 316 HL23 4HJ 52 HL23 4HJ 52 31.032 -2.305 -9.649 317 HM 4HJ 52 HM 4HJ 52 35.305 -1.742 -11.409 318 HN 4HJ 52 HN 4HJ 52 35.267 -4.067 -7.977 319 HL3 4HJ 52 HL3 4HJ 52 34.709 -3.909 -11.277 320 HO2 4HJ 52 HO2 4HJ 52 35.365 -1.656 -6.806 321 HO3 4HJ 52 HO3 4HJ 52 33.828 -1.513 -7.693 322 HP2 4HJ 52 HP2 4HJ 52 32.764 -3.145 -6.467 323 HP3 4HJ 52 HP3 4HJ 52 34.251 -3.858 -5.913 324 HS2 4HJ 52 HS2 4HJ 52 32.160 -2.821 -2.253 325 HS3 4HJ 52 HS3 4HJ 52 31.655 -3.317 -3.890 326 HT3 4HJ 52 HT3 4HJ 52 31.406 -5.161 -2.557 327 HT2 4HJ 52 HT2 4HJ 52 33.113 -5.201 -2.100 328 HY2 4HJ 52 HY2 4HJ 52 32.403 -6.796 -6.530 329 HR 4HJ 52 HR 4HJ 52 34.509 -3.225 -3.341 330 H ILE 53 H ILE 53 29.158 -7.030 -12.491 331 HA ILE 53 HA ILE 53 27.906 -4.831 -13.289 332 HB ILE 53 HB ILE 53 29.083 -6.702 -14.555 333 HG12 ILE 53 HG12 ILE 53 28.358 -4.652 -15.588 334 HG13 ILE 53 HG11 ILE 53 28.320 -6.034 -16.682 335 HG21 ILE 53 HG21 ILE 53 27.652 -8.552 -14.145 336 HG22 ILE 53 HG22 ILE 53 27.708 -8.235 -15.879 337 HG23 ILE 53 HG23 ILE 53 26.302 -7.741 -14.937 338 HD11 ILE 53 HD11 ILE 53 26.398 -4.529 -17.062 339 HD12 ILE 53 HD12 ILE 53 25.924 -4.728 -15.372 340 HD13 ILE 53 HD13 ILE 53 25.860 -6.104 -16.466 341 H ARG 54 H ARG 54 26.126 -7.796 -12.314 342 HA ARG 54 HA ARG 54 23.514 -6.981 -12.975 343 HB2 ARG 54 HB2 ARG 54 24.682 -8.770 -10.948 344 HB3 ARG 54 HB3 ARG 54 23.130 -8.085 -10.518 345 HG2 ARG 54 HG2 ARG 54 22.680 -10.184 -11.473 346 HG3 ARG 54 HG3 ARG 54 22.254 -8.999 -12.694 347 HD2 ARG 54 HD2 ARG 54 24.369 -9.438 -13.845 348 HD3 ARG 54 HD3 ARG 54 24.795 -10.622 -12.605 349 HE ARG 54 HE ARG 54 22.273 -10.980 -14.030 350 HH11 ARG 54 HH11 ARG 54 25.660 -12.034 -13.722 351 HH12 ARG 54 HH12 ARG 54 25.390 -13.563 -14.370 352 HH21 ARG 54 HH21 ARG 54 21.906 -13.018 -14.941 353 HH22 ARG 54 HH22 ARG 54 23.153 -14.177 -15.101 354 H LEU 55 H LEU 55 25.503 -6.245 -10.130 355 HA LEU 55 HA LEU 55 23.603 -4.763 -8.628 356 HB2 LEU 55 HB2 LEU 55 26.619 -4.748 -8.707 357 HB3 LEU 55 HB3 LEU 55 25.743 -3.625 -7.712 358 HG LEU 55 HG LEU 55 26.676 -5.459 -6.437 359 HD11 LEU 55 HD11 LEU 55 23.693 -5.528 -6.487 360 HD12 LEU 55 HD12 LEU 55 24.749 -4.432 -5.581 361 HD13 LEU 55 HD13 LEU 55 24.741 -6.150 -5.207 362 HD21 LEU 55 HD21 LEU 55 24.890 -7.276 -8.037 363 HD22 LEU 55 HD22 LEU 55 25.825 -7.716 -6.597 364 HD23 LEU 55 HD23 LEU 55 26.657 -7.223 -8.062 365 H MET 56 H MET 56 26.107 -3.841 -10.921 366 HA MET 56 HA MET 56 25.792 -1.063 -10.777 367 HB2 MET 56 HB2 MET 56 26.838 -2.806 -13.001 368 HB3 MET 56 HB3 MET 56 26.796 -1.057 -13.112 369 HG2 MET 56 HG2 MET 56 29.023 -1.934 -12.521 370 HG3 MET 56 HG3 MET 56 28.376 -0.837 -11.317 371 HE1 MET 56 HE1 MET 56 28.122 -2.908 -8.129 372 HE2 MET 56 HE2 MET 56 26.976 -1.986 -9.074 373 HE3 MET 56 HE3 MET 56 28.607 -1.360 -8.809 374 H ARG 57 H ARG 57 24.023 -3.426 -12.577 375 HA ARG 57 HA ARG 57 22.517 -1.597 -14.150 376 HB2 ARG 57 HB2 ARG 57 22.197 -4.431 -13.423 377 HB3 ARG 57 HB3 ARG 57 20.906 -3.536 -14.233 378 HG2 ARG 57 HG2 ARG 57 22.576 -2.836 -15.937 379 HG3 ARG 57 HG3 ARG 57 23.710 -3.968 -15.188 380 HD2 ARG 57 HD2 ARG 57 21.014 -4.705 -15.875 381 HD3 ARG 57 HD3 ARG 57 22.252 -4.703 -17.159 382 HE ARG 57 HE ARG 57 23.473 -6.236 -15.530 383 HH11 ARG 57 HH11 ARG 57 19.910 -6.221 -15.574 384 HH12 ARG 57 HH12 ARG 57 19.797 -7.913 -15.292 385 HH21 ARG 57 HH21 ARG 57 23.212 -8.592 -15.207 386 HH22 ARG 57 HH22 ARG 57 21.632 -9.223 -15.074 387 H TRP 58 H TRP 58 21.831 -3.375 -11.196 388 HA TRP 58 HA TRP 58 19.270 -2.329 -10.572 389 HB2 TRP 58 HB2 TRP 58 21.406 -3.227 -8.637 390 HB3 TRP 58 HB3 TRP 58 19.666 -3.074 -8.331 391 HD1 TRP 58 HD1 TRP 58 21.796 -5.766 -8.693 392 HE1 TRP 58 HE1 TRP 58 20.838 -7.734 -10.081 393 HE3 TRP 58 HE3 TRP 58 17.801 -3.391 -10.915 394 HZ2 TRP 58 HZ2 TRP 58 18.694 -8.171 -11.884 395 HZ3 TRP 58 HZ3 TRP 58 16.386 -4.652 -12.411 396 HH2 TRP 58 HH2 TRP 58 16.803 -6.986 -12.872 397 H LEU 59 H LEU 59 22.376 -1.082 -9.720 398 HA LEU 59 HA LEU 59 21.782 1.078 -8.183 399 HB2 LEU 59 HB2 LEU 59 23.844 0.522 -10.191 400 HB3 LEU 59 HB3 LEU 59 23.608 2.210 -9.806 401 HG LEU 59 HG LEU 59 25.414 1.186 -8.526 402 HD11 LEU 59 HD11 LEU 59 24.161 3.070 -7.684 403 HD12 LEU 59 HD12 LEU 59 24.733 2.041 -6.357 404 HD13 LEU 59 HD13 LEU 59 23.035 1.989 -6.868 405 HD21 LEU 59 HD21 LEU 59 23.243 -0.444 -7.237 406 HD22 LEU 59 HD22 LEU 59 24.985 -0.482 -6.852 407 HD23 LEU 59 HD23 LEU 59 24.388 -1.057 -8.411 408 H HIS 60 H HIS 60 21.909 1.217 -11.723 409 HA HIS 60 HA HIS 60 20.980 3.908 -11.537 410 HB2 HIS 60 HB2 HIS 60 21.536 4.162 -13.866 411 HB3 HIS 60 HB3 HIS 60 22.785 3.273 -12.998 412 HD1 HIS 60 HD1 HIS 60 23.406 0.916 -13.905 413 HD2 HIS 60 HD2 HIS 60 20.038 2.555 -15.719 414 HE1 HIS 60 HE1 HIS 60 22.929 -0.494 -15.926 415 H TRP 61 H TRP 61 19.649 0.884 -12.069 416 HA TRP 61 HA TRP 61 17.319 1.443 -13.556 417 HB2 TRP 61 HB2 TRP 61 18.420 -0.767 -13.041 418 HB3 TRP 61 HB3 TRP 61 17.826 -0.611 -11.411 419 HD1 TRP 61 HD1 TRP 61 16.365 -0.771 -14.992 420 HE1 TRP 61 HE1 TRP 61 14.148 -2.061 -14.875 421 HE3 TRP 61 HE3 TRP 61 16.134 -1.482 -9.967 422 HZ2 TRP 61 HZ2 TRP 61 12.523 -3.239 -12.896 423 HZ3 TRP 61 HZ3 TRP 61 14.219 -2.701 -9.032 424 HH2 TRP 61 HH2 TRP 61 12.454 -3.559 -10.474 425 H PHE 62 H PHE 62 17.886 1.178 -10.071 426 HA PHE 62 HA PHE 62 15.496 2.694 -9.693 427 HB2 PHE 62 HB2 PHE 62 15.982 2.344 -7.108 428 HB3 PHE 62 HB3 PHE 62 15.155 1.175 -8.105 429 HD1 PHE 62 HD1 PHE 62 18.557 2.088 -6.996 430 HD2 PHE 62 HD2 PHE 62 15.748 -0.899 -8.030 431 HE1 PHE 62 HE1 PHE 62 20.196 0.301 -6.384 432 HE2 PHE 62 HE2 PHE 62 17.282 -2.638 -7.458 433 HZ PHE 62 HZ PHE 62 19.533 -2.092 -6.689 434 H ARG 63 H ARG 63 18.701 3.595 -9.794 435 HA ARG 63 HA ARG 63 18.589 6.005 -8.503 436 HB2 ARG 63 HB2 ARG 63 19.747 5.329 -11.186 437 HB3 ARG 63 HB3 ARG 63 19.716 7.000 -10.688 438 HG2 ARG 63 HG2 ARG 63 21.007 4.836 -9.044 439 HG3 ARG 63 HG3 ARG 63 21.869 5.816 -10.233 440 HD2 ARG 63 HD2 ARG 63 20.393 6.857 -7.808 441 HD3 ARG 63 HD3 ARG 63 22.141 6.736 -7.988 442 HE ARG 63 HE ARG 63 21.564 8.223 -10.075 443 HH11 ARG 63 HH11 ARG 63 20.402 8.553 -6.748 444 HH12 ARG 63 HH12 ARG 63 20.183 10.237 -6.803 445 HH21 ARG 63 HH21 ARG 63 21.271 10.580 -10.188 446 HH22 ARG 63 HH22 ARG 63 20.699 11.431 -8.836 447 H LYS 64 H LYS 64 16.872 5.031 -11.301 448 HA LYS 64 HA LYS 64 15.613 7.256 -12.379 449 HB2 LYS 64 HB2 LYS 64 15.634 4.965 -13.285 450 HB3 LYS 64 HB3 LYS 64 14.679 4.402 -11.940 451 HG2 LYS 64 HG2 LYS 64 13.574 6.462 -13.812 452 HG3 LYS 64 HG3 LYS 64 13.640 4.763 -14.272 453 HD2 LYS 64 HD2 LYS 64 12.437 5.564 -11.669 454 HD3 LYS 64 HD3 LYS 64 11.486 5.765 -13.136 455 HE2 LYS 64 HE2 LYS 64 10.855 3.626 -12.188 456 HE3 LYS 64 HE3 LYS 64 11.844 3.290 -13.596 457 HZ1 LYS 64 HZ1 LYS 64 12.792 3.256 -10.799 458 HZ2 LYS 64 HZ2 LYS 64 13.697 2.663 -12.092 459 HZ3 LYS 64 HZ3 LYS 64 12.270 1.894 -11.574 460 H ASN 65 H ASN 65 15.142 5.830 -9.260 461 HA ASN 65 HA ASN 65 12.540 7.145 -8.810 462 HB2 ASN 65 HB2 ASN 65 14.031 5.224 -7.018 463 HB3 ASN 65 HB3 ASN 65 12.367 5.743 -6.852 464 HD21 ASN 65 HD21 ASN 65 11.781 3.494 -6.798 465 HD22 ASN 65 HD22 ASN 65 11.631 2.663 -8.298 466 H GLY 66 H GLY 66 15.704 7.846 -8.545 467 HA2 GLY 66 HA2 GLY 66 16.761 9.594 -7.478 468 HA3 GLY 66 HA3 GLY 66 15.285 9.888 -6.576 469 H TYR 67 H TYR 67 17.307 6.915 -6.664 470 HA TYR 67 HA TYR 67 17.494 7.098 -3.759 471 HB2 TYR 67 HB2 TYR 67 18.394 4.904 -5.638 472 HB3 TYR 67 HB3 TYR 67 18.554 4.869 -3.885 473 HD1 TYR 67 HD1 TYR 67 16.418 5.145 -2.542 474 HD2 TYR 67 HD2 TYR 67 16.475 4.058 -6.625 475 HE1 TYR 67 HE1 TYR 67 14.161 4.233 -2.348 476 HE2 TYR 67 HE2 TYR 67 14.240 3.144 -6.418 477 HH TYR 67 HH TYR 67 12.796 2.251 -4.669 478 H ARG 68 H ARG 68 19.363 7.650 -2.629 479 HA ARG 68 HA ARG 68 21.650 8.340 -4.149 480 HB2 ARG 68 HB2 ARG 68 20.615 9.720 -2.294 481 HB3 ARG 68 HB3 ARG 68 21.059 8.415 -1.200 482 HG2 ARG 68 HG2 ARG 68 23.260 8.893 -2.649 483 HG3 ARG 68 HG3 ARG 68 22.627 10.521 -2.299 484 HD2 ARG 68 HD2 ARG 68 24.116 9.990 -0.458 485 HD3 ARG 68 HD3 ARG 68 22.481 9.738 0.148 486 HE ARG 68 HE ARG 68 23.631 7.349 -0.931 487 HH11 ARG 68 HH11 ARG 68 23.341 9.262 2.069 488 HH12 ARG 68 HH12 ARG 68 23.898 7.988 3.049 489 HH21 ARG 68 HH21 ARG 68 24.479 5.607 0.516 490 HH22 ARG 68 HH22 ARG 68 24.517 6.030 2.180 491 H LEU 69 H LEU 69 22.525 6.231 -4.695 492 HA LEU 69 HA LEU 69 23.207 4.640 -2.324 493 HB2 LEU 69 HB2 LEU 69 22.498 3.542 -5.020 494 HB3 LEU 69 HB3 LEU 69 23.006 2.628 -3.629 495 HG LEU 69 HG LEU 69 20.397 4.111 -3.906 496 HD11 LEU 69 HD11 LEU 69 21.007 1.158 -3.804 497 HD12 LEU 69 HD12 LEU 69 20.472 2.068 -5.214 498 HD13 LEU 69 HD13 LEU 69 19.398 1.870 -3.835 499 HD21 LEU 69 HD21 LEU 69 21.449 2.447 -1.628 500 HD22 LEU 69 HD22 LEU 69 19.804 3.069 -1.767 501 HD23 LEU 69 HD23 LEU 69 21.157 4.189 -1.603 502 H THR 70 H THR 70 25.096 4.169 -2.081 503 HA THR 70 HA THR 70 26.998 4.549 -4.223 504 HB THR 70 HB THR 70 27.579 3.667 -1.376 505 HG1 THR 70 HG1 THR 70 26.488 5.401 -0.960 506 HG21 THR 70 HG21 THR 70 29.438 3.668 -2.997 507 HG22 THR 70 HG22 THR 70 29.690 4.887 -1.748 508 HG23 THR 70 HG23 THR 70 29.129 5.369 -3.349 509 H LEU 71 H LEU 71 28.463 2.629 -4.197 510 HA LEU 71 HA LEU 71 26.835 0.394 -4.899 511 HB2 LEU 71 HB2 LEU 71 29.861 0.415 -4.846 512 HB3 LEU 71 HB3 LEU 71 28.792 -0.765 -5.587 513 HG LEU 71 HG LEU 71 29.758 0.576 -7.329 514 HD11 LEU 71 HD11 LEU 71 27.798 1.423 -8.439 515 HD12 LEU 71 HD12 LEU 71 26.916 1.395 -6.910 516 HD13 LEU 71 HD13 LEU 71 27.464 -0.114 -7.638 517 HD21 LEU 71 HD21 LEU 71 30.328 2.582 -6.047 518 HD22 LEU 71 HD22 LEU 71 28.601 2.956 -5.929 519 HD23 LEU 71 HD23 LEU 71 29.403 2.995 -7.503 520 H ARG 72 H ARG 72 28.790 1.281 -2.328 521 HA ARG 72 HA ARG 72 29.543 -1.065 -0.978 522 HB2 ARG 72 HB2 ARG 72 30.317 1.127 -0.347 523 HB3 ARG 72 HB3 ARG 72 28.684 1.607 0.110 524 HG2 ARG 72 HG2 ARG 72 28.978 -0.544 1.654 525 HG3 ARG 72 HG3 ARG 72 30.662 0.007 1.586 526 HD2 ARG 72 HD2 ARG 72 29.529 1.010 3.507 527 HD3 ARG 72 HD3 ARG 72 29.901 2.257 2.315 528 HE ARG 72 HE ARG 72 27.537 2.100 1.590 529 HH11 ARG 72 HH11 ARG 72 28.279 1.063 4.969 530 HH12 ARG 72 HH12 ARG 72 26.646 1.239 5.434 531 HH21 ARG 72 HH21 ARG 72 25.391 2.240 2.339 532 HH22 ARG 72 HH22 ARG 72 25.018 1.794 3.958 533 H GLU 73 H GLU 73 26.629 0.911 -0.596 534 HA GLU 73 HA GLU 73 25.152 -0.213 1.289 535 HB2 GLU 73 HB2 GLU 73 24.412 0.742 -1.456 536 HB3 GLU 73 HB3 GLU 73 23.204 0.277 -0.286 537 HG2 GLU 73 HG2 GLU 73 23.572 2.610 -0.622 538 HG3 GLU 73 HG3 GLU 73 23.777 2.191 1.115 539 H LEU 74 H LEU 74 25.130 -1.187 -2.041 540 HA LEU 74 HA LEU 74 23.337 -3.386 -1.603 541 HB2 LEU 74 HB2 LEU 74 24.782 -2.721 -4.172 542 HB3 LEU 74 HB3 LEU 74 23.320 -3.662 -3.984 543 HG LEU 74 HG LEU 74 22.571 -1.331 -2.846 544 HD11 LEU 74 HD11 LEU 74 24.531 -0.122 -3.294 545 HD12 LEU 74 HD12 LEU 74 23.299 0.485 -4.401 546 HD13 LEU 74 HD13 LEU 74 24.550 -0.622 -4.963 547 HD21 LEU 74 HD21 LEU 74 21.375 -0.843 -4.877 548 HD22 LEU 74 HD22 LEU 74 21.283 -2.553 -4.472 549 HD23 LEU 74 HD23 LEU 74 22.358 -2.007 -5.779 550 H TYR 75 H TYR 75 26.626 -3.066 -1.412 551 HA TYR 75 HA TYR 75 27.182 -5.891 -2.036 552 HB2 TYR 75 HB2 TYR 75 28.819 -3.447 -1.801 553 HB3 TYR 75 HB3 TYR 75 29.616 -4.976 -1.547 554 HD1 TYR 75 HD1 TYR 75 28.772 -6.749 -3.468 555 HD2 TYR 75 HD2 TYR 75 29.058 -2.552 -3.842 556 HE1 TYR 75 HE1 TYR 75 29.042 -7.000 -5.949 557 HE2 TYR 75 HE2 TYR 75 29.308 -2.774 -6.301 558 HH TYR 75 HH TYR 75 28.702 -5.707 -7.920 559 H ALA 76 H ALA 76 27.207 -3.599 0.606 560 HA ALA 76 HA ALA 76 28.524 -5.433 2.313 561 HB1 ALA 76 HB1 ALA 76 28.802 -3.030 2.655 562 HB2 ALA 76 HB2 ALA 76 28.125 -3.781 4.101 563 HB3 ALA 76 HB3 ALA 76 27.082 -2.870 3.008 564 H ALA 77 H ALA 77 25.239 -4.471 1.639 565 HA ALA 77 HA ALA 77 24.371 -6.759 3.206 566 HB1 ALA 77 HB1 ALA 77 22.949 -4.093 3.139 567 HB2 ALA 77 HB2 ALA 77 23.848 -4.742 4.511 568 HB3 ALA 77 HB3 ALA 77 22.380 -5.549 3.955 569 HA PRO 78 HA PRO 78 22.615 -6.917 -0.990 570 HB2 PRO 78 HB2 PRO 78 23.765 -9.454 -1.492 571 HB3 PRO 78 HB3 PRO 78 24.340 -7.899 -2.127 572 HG2 PRO 78 HG2 PRO 78 25.735 -9.507 -0.347 573 HG3 PRO 78 HG3 PRO 78 26.052 -7.793 -0.672 574 HD2 PRO 78 HD2 PRO 78 24.567 -9.033 1.588 575 HD3 PRO 78 HD3 PRO 78 25.618 -7.597 1.564 576 H THR 79 H THR 79 20.680 -7.167 0.227 577 HA THR 79 HA THR 79 19.538 -9.815 0.032 578 HB THR 79 HB THR 79 18.437 -9.555 2.280 579 HG1 THR 79 HG1 THR 79 20.339 -7.722 3.106 580 HG21 THR 79 HG21 THR 79 21.455 -9.548 2.506 581 HG22 THR 79 HG22 THR 79 20.452 -10.964 2.198 582 HG23 THR 79 HG23 THR 79 20.334 -10.120 3.743 583 H LEU 80 H LEU 80 17.285 -9.525 -0.442 584 HA LEU 80 HA LEU 80 16.622 -6.892 -1.341 585 HB2 LEU 80 HB2 LEU 80 14.875 -9.301 -1.041 586 HB3 LEU 80 HB3 LEU 80 14.372 -7.800 -1.791 587 HG LEU 80 HG LEU 80 16.562 -9.566 -2.636 588 HD11 LEU 80 HD11 LEU 80 13.934 -8.809 -3.903 589 HD12 LEU 80 HD12 LEU 80 14.179 -10.340 -3.060 590 HD13 LEU 80 HD13 LEU 80 15.022 -10.010 -4.596 591 HD21 LEU 80 HD21 LEU 80 17.108 -7.286 -3.265 592 HD22 LEU 80 HD22 LEU 80 15.473 -7.076 -3.922 593 HD23 LEU 80 HD23 LEU 80 16.592 -8.167 -4.713 594 H ALA 81 H ALA 81 16.226 -8.633 1.418 595 HA ALA 81 HA ALA 81 14.253 -7.167 2.798 596 HB1 ALA 81 HB1 ALA 81 15.343 -7.865 4.886 597 HB2 ALA 81 HB2 ALA 81 16.784 -8.328 3.983 598 HB3 ALA 81 HB3 ALA 81 15.273 -9.202 3.737 599 H ALA 82 H ALA 82 17.798 -6.570 2.727 600 HA ALA 82 HA ALA 82 17.550 -4.073 4.084 601 HB1 ALA 82 HB1 ALA 82 19.922 -3.785 3.620 602 HB2 ALA 82 HB2 ALA 82 19.879 -5.138 2.490 603 HB3 ALA 82 HB3 ALA 82 19.603 -5.416 4.208 604 H TRP 83 H TRP 83 17.815 -5.035 0.703 605 HA TRP 83 HA TRP 83 18.151 -2.433 -0.302 606 HB2 TRP 83 HB2 TRP 83 16.996 -4.867 -1.663 607 HB3 TRP 83 HB3 TRP 83 17.296 -3.347 -2.483 608 HD1 TRP 83 HD1 TRP 83 20.021 -4.272 -0.039 609 HE1 TRP 83 HE1 TRP 83 22.059 -5.158 -1.297 610 HE3 TRP 83 HE3 TRP 83 17.943 -4.674 -4.662 611 HZ2 TRP 83 HZ2 TRP 83 22.704 -5.951 -3.951 612 HZ3 TRP 83 HZ3 TRP 83 19.330 -5.512 -6.525 613 HH2 TRP 83 HH2 TRP 83 21.658 -6.128 -6.173 614 H ASN 84 H ASN 84 15.284 -4.211 0.581 615 HA ASN 84 HA ASN 84 13.325 -2.517 -0.534 616 HB2 ASN 84 HB2 ASN 84 12.790 -4.716 0.457 617 HB3 ASN 84 HB3 ASN 84 13.233 -4.115 2.048 618 HD21 ASN 84 HD21 ASN 84 11.761 -2.793 3.189 619 HD22 ASN 84 HD22 ASN 84 10.154 -2.571 2.608 620 H GLN 85 H GLN 85 15.230 -2.344 2.385 621 HA GLN 85 HA GLN 85 13.827 -0.148 3.494 622 HB2 GLN 85 HB2 GLN 85 16.658 -1.051 4.066 623 HB3 GLN 85 HB3 GLN 85 15.702 0.041 5.059 624 HG2 GLN 85 HG2 GLN 85 15.176 -2.882 4.554 625 HG3 GLN 85 HG3 GLN 85 15.695 -2.139 6.064 626 HE21 GLN 85 HE21 GLN 85 14.191 -0.961 7.269 627 HE22 GLN 85 HE22 GLN 85 12.488 -1.120 6.996 628 H LEU 86 H LEU 86 16.687 -0.493 1.465 629 HA LEU 86 HA LEU 86 17.482 2.162 1.251 630 HB2 LEU 86 HB2 LEU 86 17.442 0.035 -0.871 631 HB3 LEU 86 HB3 LEU 86 18.257 1.571 -1.045 632 HG LEU 86 HG LEU 86 18.913 -0.478 1.055 633 HD11 LEU 86 HD11 LEU 86 20.880 -0.940 -0.342 634 HD12 LEU 86 HD12 LEU 86 20.314 0.271 -1.499 635 HD13 LEU 86 HD13 LEU 86 19.399 -1.218 -1.281 636 HD21 LEU 86 HD21 LEU 86 20.945 0.849 1.327 637 HD22 LEU 86 HD22 LEU 86 19.502 1.822 1.674 638 HD23 LEU 86 HD23 LEU 86 20.344 1.983 0.125 639 H MET 87 H MET 87 15.048 0.330 -0.450 640 HA MET 87 HA MET 87 14.202 2.119 -2.409 641 HB2 MET 87 HB2 MET 87 12.546 -0.000 -1.026 642 HB3 MET 87 HB3 MET 87 12.159 0.763 -2.562 643 HG2 MET 87 HG2 MET 87 14.621 -0.883 -2.037 644 HG3 MET 87 HG3 MET 87 13.146 -1.494 -2.773 645 HE1 MET 87 HE1 MET 87 13.080 -0.023 -6.235 646 HE2 MET 87 HE2 MET 87 12.061 0.185 -4.774 647 HE3 MET 87 HE3 MET 87 12.700 -1.400 -5.210 648 H LEU 88 H LEU 88 13.461 2.051 0.943 649 HA LEU 88 HA LEU 88 11.337 4.050 0.525 650 HB2 LEU 88 HB2 LEU 88 12.247 2.827 3.065 651 HB3 LEU 88 HB3 LEU 88 10.814 3.780 2.793 652 HG LEU 88 HG LEU 88 11.347 0.993 1.844 653 HD11 LEU 88 HD11 LEU 88 9.392 2.194 3.747 654 HD12 LEU 88 HD12 LEU 88 10.952 1.569 4.176 655 HD13 LEU 88 HD13 LEU 88 9.710 0.445 3.520 656 HD21 LEU 88 HD21 LEU 88 8.986 1.084 1.019 657 HD22 LEU 88 HD22 LEU 88 10.035 2.179 0.142 658 HD23 LEU 88 HD23 LEU 88 8.961 2.814 1.391 659 H SER 89 H SER 89 14.201 3.392 2.485 660 HA SER 89 HA SER 89 13.882 5.604 3.927 661 HB2 SER 89 HB2 SER 89 16.230 3.790 3.713 662 HB3 SER 89 HB3 SER 89 16.098 5.056 4.942 663 HG SER 89 HG SER 89 13.815 3.729 4.886 664 H ARG 90 H ARG 90 15.532 5.193 0.920 665 HA ARG 90 HA ARG 90 16.774 6.422 -0.445 666 HB2 ARG 90 HB2 ARG 90 15.914 8.710 1.312 667 HB3 ARG 90 HB3 ARG 90 16.876 8.923 -0.143 668 HG2 ARG 90 HG2 ARG 90 14.104 7.771 0.021 669 HG3 ARG 90 HG3 ARG 90 14.549 9.355 -0.612 670 HD2 ARG 90 HD2 ARG 90 16.017 8.140 -2.271 671 HD3 ARG 90 HD3 ARG 90 15.277 6.655 -1.702 672 HE ARG 90 HE ARG 90 14.186 8.616 -3.444 673 HH11 ARG 90 HH11 ARG 90 13.115 6.248 -1.040 674 HH12 ARG 90 HH12 ARG 90 11.941 5.514 -1.991 675 HH21 ARG 90 HH21 ARG 90 12.483 7.668 -4.820 676 HH22 ARG 90 HH22 ARG 90 11.507 6.408 -4.197 677 H SER 91 H SER 91 17.567 7.469 2.730 678 HA SER 91 HA SER 91 20.286 6.593 2.291 679 HB2 SER 91 HB2 SER 91 19.721 9.489 2.992 680 HB3 SER 91 HB3 SER 91 21.317 8.738 2.953 681 HG SER 91 HG SER 91 20.160 8.166 0.694 682 HA PRO 92 HA PRO 92 18.987 5.843 6.705 683 HB2 PRO 92 HB2 PRO 92 19.935 3.246 6.664 684 HB3 PRO 92 HB3 PRO 92 18.243 3.673 6.331 685 HG2 PRO 92 HG2 PRO 92 20.430 3.078 4.409 686 HG3 PRO 92 HG3 PRO 92 18.719 2.605 4.356 687 HD2 PRO 92 HD2 PRO 92 19.618 4.620 2.843 688 HD3 PRO 92 HD3 PRO 92 18.015 4.676 3.609 689 H GLU 93 H GLU 93 21.732 5.301 4.685 690 HA GLU 93 HA GLU 93 23.595 6.032 6.832 691 HB2 GLU 93 HB2 GLU 93 24.064 3.965 4.659 692 HB3 GLU 93 HB3 GLU 93 25.247 4.502 5.827 693 HG2 GLU 93 HG2 GLU 93 24.083 3.380 7.598 694 HG3 GLU 93 HG3 GLU 93 22.733 2.998 6.519 Start of MODEL 8 1 H ASP 14 HT1 ASP 14 9.334 -1.111 1.232 2 HA ASP 14 HA ASP 14 8.291 -1.299 -0.788 3 HB2 ASP 14 HB2 ASP 14 5.943 -2.434 0.740 4 HB3 ASP 14 HB3 ASP 14 5.924 -2.041 -0.983 5 H ASN 15 H ASN 15 6.533 0.066 -1.685 6 HA ASN 15 HA ASN 15 5.088 2.005 -0.344 7 HB2 ASN 15 HB2 ASN 15 7.562 2.692 0.320 8 HB3 ASN 15 HB3 ASN 15 7.762 3.069 -1.379 9 HD21 ASN 15 HD21 ASN 15 7.902 4.763 1.022 10 HD22 ASN 15 HD22 ASN 15 6.769 6.036 0.767 11 H ARG 16 H ARG 16 4.925 3.828 -2.140 12 HA ARG 16 HA ARG 16 3.703 2.515 -4.283 13 HB2 ARG 16 HB2 ARG 16 4.517 5.405 -4.074 14 HB3 ARG 16 HB3 ARG 16 3.328 4.746 -5.192 15 HG2 ARG 16 HG2 ARG 16 1.913 4.078 -3.342 16 HG3 ARG 16 HG3 ARG 16 3.119 4.645 -2.190 17 HD2 ARG 16 HD2 ARG 16 2.859 6.932 -3.088 18 HD3 ARG 16 HD3 ARG 16 1.629 6.338 -4.202 19 HE ARG 16 HE ARG 16 0.819 5.591 -1.691 20 HH11 ARG 16 HH11 ARG 16 1.430 8.652 -3.357 21 HH12 ARG 16 HH12 ARG 16 0.310 9.570 -2.473 22 HH21 ARG 16 HH21 ARG 16 -0.768 6.847 -0.423 23 HH22 ARG 16 HH22 ARG 16 -0.987 8.498 -0.737 24 H HIS 17 H HIS 17 6.760 4.382 -4.274 25 HA HIS 17 HA HIS 17 7.202 3.555 -7.008 26 HB2 HIS 17 HB2 HIS 17 7.823 5.894 -5.789 27 HB3 HIS 17 HB3 HIS 17 9.342 5.034 -5.554 28 HD1 HIS 17 HD1 HIS 17 9.418 7.499 -7.412 29 HD2 HIS 17 HD2 HIS 17 8.599 3.641 -8.756 30 HE1 HIS 17 HE1 HIS 17 9.880 7.494 -9.875 31 H ALA 18 H ALA 18 7.980 2.624 -3.854 32 HA ALA 18 HA ALA 18 10.347 1.105 -4.376 33 HB1 ALA 18 HB1 ALA 18 9.758 1.886 -2.112 34 HB2 ALA 18 HB2 ALA 18 10.122 0.165 -2.236 35 HB3 ALA 18 HB3 ALA 18 8.439 0.703 -2.087 36 H ALA 19 H ALA 19 7.099 0.610 -5.095 37 HA ALA 19 HA ALA 19 6.869 -2.135 -5.278 38 HB1 ALA 19 HB1 ALA 19 5.901 -0.077 -7.272 39 HB2 ALA 19 HB2 ALA 19 5.048 -0.570 -5.809 40 HB3 ALA 19 HB3 ALA 19 5.296 -1.727 -7.118 41 H ASP 20 H ASP 20 8.940 -0.011 -6.975 42 HA ASP 20 HA ASP 20 9.656 -1.481 -9.246 43 HB2 ASP 20 HB2 ASP 20 10.367 0.864 -8.511 44 HB3 ASP 20 HB3 ASP 20 11.583 0.081 -7.518 45 H TYR 21 H TYR 21 10.549 -1.914 -5.834 46 HA TYR 21 HA TYR 21 12.503 -3.991 -6.019 47 HB2 TYR 21 HB2 TYR 21 12.362 -3.244 -3.818 48 HB3 TYR 21 HB3 TYR 21 10.626 -2.978 -3.907 49 HD1 TYR 21 HD1 TYR 21 13.200 -5.659 -3.565 50 HD2 TYR 21 HD2 TYR 21 9.115 -4.581 -3.064 51 HE1 TYR 21 HE1 TYR 21 12.763 -7.801 -2.479 52 HE2 TYR 21 HE2 TYR 21 8.673 -6.717 -1.949 53 HH TYR 21 HH TYR 21 10.930 -8.818 -0.756 54 H GLN 22 H GLN 22 9.047 -4.012 -6.197 55 HA GLN 22 HA GLN 22 8.803 -6.844 -5.922 56 HB2 GLN 22 HB2 GLN 22 6.800 -4.946 -7.168 57 HB3 GLN 22 HB3 GLN 22 6.462 -6.530 -6.475 58 HG2 GLN 22 HG2 GLN 22 7.122 -5.711 -4.267 59 HG3 GLN 22 HG3 GLN 22 7.456 -4.127 -4.949 60 HE21 GLN 22 HE21 GLN 22 5.694 -4.672 -2.834 61 HE22 GLN 22 HE22 GLN 22 4.093 -4.272 -3.362 62 H GLN 23 H GLN 23 9.185 -4.621 -8.542 63 HA GLN 23 HA GLN 23 8.940 -6.541 -10.652 64 HB2 GLN 23 HB2 GLN 23 10.318 -3.863 -10.564 65 HB3 GLN 23 HB3 GLN 23 10.137 -4.828 -12.017 66 HG2 GLN 23 HG2 GLN 23 7.672 -4.618 -11.733 67 HG3 GLN 23 HG3 GLN 23 7.985 -3.496 -10.403 68 HE21 GLN 23 HE21 GLN 23 8.949 -1.485 -10.865 69 HE22 GLN 23 HE22 GLN 23 8.980 -0.845 -12.450 70 H LEU 24 H LEU 24 11.585 -5.070 -8.872 71 HA LEU 24 HA LEU 24 13.931 -6.003 -9.944 72 HB2 LEU 24 HB2 LEU 24 13.711 -4.576 -7.899 73 HB3 LEU 24 HB3 LEU 24 13.139 -5.964 -7.028 74 HG LEU 24 HG LEU 24 15.319 -7.037 -7.222 75 HD11 LEU 24 HD11 LEU 24 16.162 -4.479 -8.568 76 HD12 LEU 24 HD12 LEU 24 16.078 -6.091 -9.297 77 HD13 LEU 24 HD13 LEU 24 17.233 -5.771 -8.016 78 HD21 LEU 24 HD21 LEU 24 16.501 -5.548 -5.709 79 HD22 LEU 24 HD22 LEU 24 14.787 -5.663 -5.302 80 HD23 LEU 24 HD23 LEU 24 15.404 -4.232 -6.134 81 H ARG 25 H ARG 25 12.058 -7.751 -7.463 82 HA ARG 25 HA ARG 25 13.575 -9.948 -7.246 83 HB2 ARG 25 HB2 ARG 25 11.616 -9.114 -5.898 84 HB3 ARG 25 HB3 ARG 25 10.581 -9.885 -7.089 85 HG2 ARG 25 HG2 ARG 25 11.574 -12.014 -6.598 86 HG3 ARG 25 HG3 ARG 25 12.669 -11.190 -5.462 87 HD2 ARG 25 HD2 ARG 25 10.718 -10.419 -4.176 88 HD3 ARG 25 HD3 ARG 25 9.661 -11.363 -5.226 89 HE ARG 25 HE ARG 25 11.132 -13.316 -4.349 90 HH11 ARG 25 HH11 ARG 25 10.028 -10.468 -2.375 91 HH12 ARG 25 HH12 ARG 25 10.197 -11.358 -0.956 92 HH21 ARG 25 HH21 ARG 25 11.259 -14.403 -2.194 93 HH22 ARG 25 HH22 ARG 25 10.825 -13.429 -0.838 94 H GLU 26 H GLU 26 10.938 -9.325 -9.618 95 HA GLU 26 HA GLU 26 10.801 -11.874 -10.664 96 HB2 GLU 26 HB2 GLU 26 9.010 -10.269 -10.782 97 HB3 GLU 26 HB3 GLU 26 10.023 -9.137 -11.645 98 HG2 GLU 26 HG2 GLU 26 9.803 -11.679 -12.953 99 HG3 GLU 26 HG3 GLU 26 8.239 -10.867 -12.721 100 H ARG 27 H ARG 27 12.655 -9.009 -11.589 101 HA ARG 27 HA ARG 27 13.678 -10.186 -13.970 102 HB2 ARG 27 HB2 ARG 27 14.617 -7.756 -12.500 103 HB3 ARG 27 HB3 ARG 27 15.473 -8.407 -13.900 104 HG2 ARG 27 HG2 ARG 27 14.136 -7.010 -14.997 105 HG3 ARG 27 HG3 ARG 27 13.090 -8.425 -14.882 106 HD2 ARG 27 HD2 ARG 27 12.501 -7.132 -12.559 107 HD3 ARG 27 HD3 ARG 27 12.744 -5.785 -13.671 108 HE ARG 27 HE ARG 27 10.985 -8.027 -14.335 109 HH11 ARG 27 HH11 ARG 27 11.399 -4.519 -13.980 110 HH12 ARG 27 HH12 ARG 27 9.758 -4.152 -14.281 111 HH21 ARG 27 HH21 ARG 27 8.814 -7.553 -14.732 112 HH22 ARG 27 HH22 ARG 27 8.210 -5.951 -14.780 113 H LEU 28 H LEU 28 14.966 -10.031 -10.795 114 HA LEU 28 HA LEU 28 17.445 -11.282 -11.370 115 HB2 LEU 28 HB2 LEU 28 15.795 -11.449 -8.850 116 HB3 LEU 28 HB3 LEU 28 17.286 -12.341 -9.020 117 HG LEU 28 HG LEU 28 18.445 -10.104 -9.372 118 HD11 LEU 28 HD11 LEU 28 15.864 -9.023 -8.384 119 HD12 LEU 28 HD12 LEU 28 16.486 -8.907 -10.016 120 HD13 LEU 28 HD13 LEU 28 17.360 -8.122 -8.690 121 HD21 LEU 28 HD21 LEU 28 18.554 -11.314 -7.264 122 HD22 LEU 28 HD22 LEU 28 17.036 -10.571 -6.758 123 HD23 LEU 28 HD23 LEU 28 18.471 -9.571 -6.999 124 H ILE 29 H ILE 29 14.291 -12.618 -10.827 125 HA ILE 29 HA ILE 29 14.967 -15.316 -10.722 126 HB ILE 29 HB ILE 29 12.525 -13.730 -10.989 127 HG12 ILE 29 HG12 ILE 29 11.697 -15.251 -9.356 128 HG13 ILE 29 HG11 ILE 29 13.032 -16.353 -9.645 129 HG21 ILE 29 HG21 ILE 29 11.036 -15.527 -11.648 130 HG22 ILE 29 HG22 ILE 29 12.423 -16.522 -12.095 131 HG23 ILE 29 HG23 ILE 29 12.085 -15.026 -12.980 132 HD11 ILE 29 HD11 ILE 29 13.375 -15.087 -7.624 133 HD12 ILE 29 HD12 ILE 29 13.230 -13.579 -8.562 134 HD13 ILE 29 HD13 ILE 29 14.576 -14.673 -8.854 135 H GLN 30 H GLN 30 14.574 -13.237 -13.410 136 HA GLN 30 HA GLN 30 14.335 -15.216 -15.405 137 HB2 GLN 30 HB2 GLN 30 15.594 -12.510 -15.689 138 HB3 GLN 30 HB3 GLN 30 14.844 -13.496 -16.939 139 HG2 GLN 30 HG2 GLN 30 12.663 -13.233 -15.691 140 HG3 GLN 30 HG3 GLN 30 13.517 -12.097 -14.651 141 HE21 GLN 30 HE21 GLN 30 11.991 -10.403 -15.409 142 HE22 GLN 30 HE22 GLN 30 12.284 -9.709 -16.948 143 H GLU 31 H GLU 31 17.042 -13.549 -13.918 144 HA GLU 31 HA GLU 31 18.972 -14.841 -15.646 145 HB2 GLU 31 HB2 GLU 31 19.505 -13.080 -13.253 146 HB3 GLU 31 HB3 GLU 31 20.632 -13.489 -14.542 147 HG2 GLU 31 HG2 GLU 31 19.049 -12.361 -16.133 148 HG3 GLU 31 HG3 GLU 31 18.172 -11.838 -14.688 149 H LEU 32 H LEU 32 17.736 -15.211 -12.397 150 HA LEU 32 HA LEU 32 19.822 -16.955 -11.605 151 HB2 LEU 32 HB2 LEU 32 17.172 -16.404 -10.280 152 HB3 LEU 32 HB3 LEU 32 18.529 -17.255 -9.570 153 HG LEU 32 HG LEU 32 18.378 -14.412 -10.385 154 HD11 LEU 32 HD11 LEU 32 18.726 -13.945 -7.976 155 HD12 LEU 32 HD12 LEU 32 18.634 -15.679 -7.659 156 HD13 LEU 32 HD13 LEU 32 17.233 -14.820 -8.312 157 HD21 LEU 32 HD21 LEU 32 20.773 -15.913 -9.324 158 HD22 LEU 32 HD22 LEU 32 20.648 -14.157 -9.368 159 HD23 LEU 32 HD23 LEU 32 20.590 -15.066 -10.867 160 H ASN 33 H ASN 33 16.851 -17.226 -13.228 161 HA ASN 33 HA ASN 33 15.767 -18.842 -14.301 162 HB2 ASN 33 HB2 ASN 33 18.095 -19.575 -14.959 163 HB3 ASN 33 HB3 ASN 33 18.087 -20.685 -13.601 164 HD21 ASN 33 HD21 ASN 33 15.308 -20.065 -15.690 165 HD22 ASN 33 HD22 ASN 33 15.287 -21.654 -16.381 166 H LEU 34 H LEU 34 15.563 -18.455 -11.401 167 HA LEU 34 HA LEU 34 14.292 -20.984 -10.730 168 HB2 LEU 34 HB2 LEU 34 14.765 -20.444 -8.299 169 HB3 LEU 34 HB3 LEU 34 16.102 -20.961 -9.293 170 HG LEU 34 HG LEU 34 16.839 -18.587 -9.457 171 HD11 LEU 34 HD11 LEU 34 14.721 -17.528 -8.999 172 HD12 LEU 34 HD12 LEU 34 15.985 -16.951 -7.900 173 HD13 LEU 34 HD13 LEU 34 14.769 -18.105 -7.334 174 HD21 LEU 34 HD21 LEU 34 16.601 -19.746 -6.705 175 HD22 LEU 34 HD22 LEU 34 17.765 -18.511 -7.201 176 HD23 LEU 34 HD23 LEU 34 17.827 -20.136 -7.910 177 H THR 35 H THR 35 12.660 -20.463 -8.667 178 HA THR 35 HA THR 35 10.854 -18.597 -9.938 179 HB THR 35 HB THR 35 9.180 -19.562 -8.273 180 HG1 THR 35 HG1 THR 35 10.480 -21.796 -7.687 181 HG21 THR 35 HG21 THR 35 8.972 -21.728 -9.411 182 HG22 THR 35 HG22 THR 35 10.607 -21.549 -10.050 183 HG23 THR 35 HG23 THR 35 9.335 -20.439 -10.560 184 HA PRO 36 HA PRO 36 11.405 -15.160 -7.293 185 HB2 PRO 36 HB2 PRO 36 8.840 -14.688 -6.268 186 HB3 PRO 36 HB3 PRO 36 9.467 -14.089 -7.817 187 HG2 PRO 36 HG2 PRO 36 7.775 -16.467 -7.284 188 HG3 PRO 36 HG3 PRO 36 7.723 -15.320 -8.638 189 HD2 PRO 36 HD2 PRO 36 8.778 -17.718 -8.984 190 HD3 PRO 36 HD3 PRO 36 9.534 -16.289 -9.713 191 H GLN 37 H GLN 37 10.082 -17.951 -5.862 192 HA GLN 37 HA GLN 37 10.438 -16.947 -3.136 193 HB2 GLN 37 HB2 GLN 37 9.145 -19.504 -4.091 194 HB3 GLN 37 HB3 GLN 37 9.260 -18.987 -2.415 195 HG2 GLN 37 HG2 GLN 37 7.906 -17.002 -2.965 196 HG3 GLN 37 HG3 GLN 37 7.746 -17.600 -4.616 197 HE21 GLN 37 HE21 GLN 37 6.453 -19.434 -4.997 198 HE22 GLN 37 HE22 GLN 37 5.326 -19.974 -3.798 199 H GLN 38 H GLN 38 12.258 -18.504 -5.460 200 HA GLN 38 HA GLN 38 13.545 -20.257 -3.554 201 HB2 GLN 38 HB2 GLN 38 13.880 -19.922 -6.519 202 HB3 GLN 38 HB3 GLN 38 14.952 -20.934 -5.561 203 HG2 GLN 38 HG2 GLN 38 11.980 -21.328 -5.600 204 HG3 GLN 38 HG3 GLN 38 13.028 -22.038 -6.815 205 HE21 GLN 38 HE21 GLN 38 14.082 -21.792 -3.432 206 HE22 GLN 38 HE22 GLN 38 13.936 -23.479 -3.142 207 H LEU 39 H LEU 39 13.793 -17.108 -4.355 208 HA LEU 39 HA LEU 39 16.657 -17.166 -3.854 209 HB2 LEU 39 HB2 LEU 39 16.927 -15.089 -4.915 210 HB3 LEU 39 HB3 LEU 39 15.609 -15.764 -5.835 211 HG LEU 39 HG LEU 39 14.039 -14.327 -4.424 212 HD11 LEU 39 HD11 LEU 39 15.711 -13.812 -2.592 213 HD12 LEU 39 HD12 LEU 39 15.021 -12.360 -3.299 214 HD13 LEU 39 HD13 LEU 39 16.641 -12.887 -3.752 215 HD21 LEU 39 HD21 LEU 39 14.503 -12.328 -5.737 216 HD22 LEU 39 HD22 LEU 39 14.665 -13.788 -6.716 217 HD23 LEU 39 HD23 LEU 39 16.102 -12.955 -6.126 218 H HIS 40 H HIS 40 17.410 -15.953 -2.073 219 HA HIS 40 HA HIS 40 15.391 -15.637 -0.018 220 HB2 HIS 40 HB2 HIS 40 18.377 -15.790 0.060 221 HB3 HIS 40 HB3 HIS 40 17.361 -15.272 1.397 222 HD1 HIS 40 HD1 HIS 40 16.382 -17.015 2.872 223 HD2 HIS 40 HD2 HIS 40 17.801 -18.590 -0.705 224 HE1 HIS 40 HE1 HIS 40 16.222 -19.532 3.093 225 H GLU 41 H GLU 41 14.640 -13.744 0.439 226 HA GLU 41 HA GLU 41 15.950 -11.384 -0.616 227 HB2 GLU 41 HB2 GLU 41 13.952 -10.166 0.065 228 HB3 GLU 41 HB3 GLU 41 13.546 -11.561 -0.923 229 HG2 GLU 41 HG2 GLU 41 12.948 -12.760 1.158 230 HG3 GLU 41 HG3 GLU 41 13.251 -11.267 2.053 231 H GLU 42 H GLU 42 15.546 -13.042 2.316 232 HA GLU 42 HA GLU 42 16.544 -10.852 3.934 233 HB2 GLU 42 HB2 GLU 42 16.369 -12.876 5.722 234 HB3 GLU 42 HB3 GLU 42 15.036 -11.808 5.345 235 HG2 GLU 42 HG2 GLU 42 14.513 -14.291 5.488 236 HG3 GLU 42 HG3 GLU 42 13.942 -13.455 4.053 237 H SER 43 H SER 43 17.545 -13.824 2.547 238 HA SER 43 HA SER 43 20.075 -13.713 3.928 239 HB2 SER 43 HB2 SER 43 19.047 -15.670 1.910 240 HB3 SER 43 HB3 SER 43 20.578 -15.813 2.741 241 HG SER 43 HG SER 43 17.991 -15.830 4.009 242 H ASN 44 H ASN 44 21.986 -14.237 2.483 243 HA ASN 44 HA ASN 44 22.369 -11.850 1.023 244 HB2 ASN 44 HB2 ASN 44 24.122 -13.071 2.469 245 HB3 ASN 44 HB3 ASN 44 24.279 -14.164 1.095 246 HD21 ASN 44 HD21 ASN 44 26.220 -12.306 2.363 247 HD22 ASN 44 HD22 ASN 44 26.779 -11.326 1.057 248 H LEU 45 H LEU 45 22.203 -11.399 -0.965 249 HA LEU 45 HA LEU 45 21.196 -13.228 -2.885 250 HB2 LEU 45 HB2 LEU 45 22.210 -10.417 -3.229 251 HB3 LEU 45 HB3 LEU 45 21.326 -11.328 -4.431 252 HG LEU 45 HG LEU 45 20.223 -10.512 -1.754 253 HD11 LEU 45 HD11 LEU 45 20.673 -8.582 -3.188 254 HD12 LEU 45 HD12 LEU 45 18.943 -8.866 -3.014 255 HD13 LEU 45 HD13 LEU 45 19.767 -9.342 -4.499 256 HD21 LEU 45 HD21 LEU 45 18.903 -11.696 -4.196 257 HD22 LEU 45 HD22 LEU 45 18.075 -11.153 -2.738 258 HD23 LEU 45 HD23 LEU 45 19.176 -12.523 -2.662 259 H ILE 46 H ILE 46 24.376 -12.166 -2.036 260 HA ILE 46 HA ILE 46 25.635 -12.665 -4.575 261 HB ILE 46 HB ILE 46 26.925 -12.433 -1.821 262 HG12 ILE 46 HG12 ILE 46 25.589 -10.433 -2.320 263 HG13 ILE 46 HG11 ILE 46 27.306 -10.066 -2.283 264 HG21 ILE 46 HG21 ILE 46 28.110 -12.039 -4.568 265 HG22 ILE 46 HG22 ILE 46 28.501 -13.343 -3.437 266 HG23 ILE 46 HG23 ILE 46 28.929 -11.667 -3.057 267 HD11 ILE 46 HD11 ILE 46 27.334 -10.036 -4.730 268 HD12 ILE 46 HD12 ILE 46 26.178 -8.882 -4.063 269 HD13 ILE 46 HD13 ILE 46 25.609 -10.410 -4.747 270 H GLN 47 H GLN 47 24.364 -14.627 -2.229 271 HA GLN 47 HA GLN 47 26.193 -16.825 -2.550 272 HB2 GLN 47 HB2 GLN 47 23.511 -16.642 -1.213 273 HB3 GLN 47 HB3 GLN 47 24.491 -18.108 -1.216 274 HG2 GLN 47 HG2 GLN 47 25.331 -15.453 -0.075 275 HG3 GLN 47 HG3 GLN 47 24.722 -16.811 0.874 276 HE21 GLN 47 HE21 GLN 47 27.314 -15.409 0.940 277 HE22 GLN 47 HE22 GLN 47 28.491 -16.655 0.672 278 H ALA 48 H ALA 48 23.822 -15.428 -4.300 279 HA ALA 48 HA ALA 48 23.246 -17.848 -5.857 280 HB1 ALA 48 HB1 ALA 48 21.724 -15.226 -5.713 281 HB2 ALA 48 HB2 ALA 48 21.205 -16.758 -5.010 282 HB3 ALA 48 HB3 ALA 48 21.311 -16.583 -6.762 283 H GLY 49 H GLY 49 22.796 -16.869 -8.329 284 HA2 GLY 49 HA2 GLY 49 25.417 -15.900 -9.040 285 HA3 GLY 49 HA3 GLY 49 24.115 -16.295 -10.156 286 H LEU 50 H LEU 50 25.429 -13.841 -8.052 287 HA LEU 50 HA LEU 50 24.139 -11.813 -9.670 288 HB2 LEU 50 HB2 LEU 50 22.888 -12.049 -7.581 289 HB3 LEU 50 HB3 LEU 50 24.370 -11.942 -6.656 290 HG LEU 50 HG LEU 50 24.682 -9.678 -7.480 291 HD11 LEU 50 HD11 LEU 50 22.747 -8.484 -8.476 292 HD12 LEU 50 HD12 LEU 50 21.871 -10.012 -8.549 293 HD13 LEU 50 HD13 LEU 50 23.332 -9.787 -9.510 294 HD21 LEU 50 HD21 LEU 50 22.089 -10.149 -6.031 295 HD22 LEU 50 HD22 LEU 50 22.990 -8.634 -6.037 296 HD23 LEU 50 HD23 LEU 50 23.686 -10.074 -5.296 297 H ASP 51 H ASP 51 25.857 -11.145 -10.727 298 HA ASP 51 HA ASP 51 28.405 -10.815 -9.410 299 HB2 ASP 51 HB2 ASP 51 29.203 -10.200 -11.730 300 HB3 ASP 51 HB3 ASP 51 28.533 -11.818 -11.593 301 H 4HJ 52 H 4HJ 52 29.344 -8.560 -10.918 302 HA 4HJ 52 HA 4HJ 52 27.972 -6.619 -9.302 303 HAA 4HJ 52 HAA 4HJ 52 29.652 -10.104 -8.061 304 HB3 4HJ 52 HB3 4HJ 52 29.889 -5.126 -9.933 305 HB2 4HJ 52 HB2 4HJ 52 30.352 -6.508 -8.971 306 HZ1 4HJ 52 HZ1 4HJ 52 29.269 -10.764 -5.804 307 HZ2 4HJ 52 HZ2 4HJ 52 31.002 -8.184 -8.607 308 HZ 4HJ 52 HZ 4HJ 52 30.731 -8.939 -3.038 309 HJ2 4HJ 52 HJ2 4HJ 52 32.962 -3.334 -11.122 310 HJ3 4HJ 52 HJ3 4HJ 52 31.266 -3.239 -10.696 311 HL12 4HJ 52 HL12 4HJ 52 34.677 -3.368 -9.424 312 HL11 4HJ 52 HL11 4HJ 52 33.756 -4.280 -8.276 313 HL13 4HJ 52 HL13 4HJ 52 34.382 -2.741 -7.752 314 HL22 4HJ 52 HL22 4HJ 52 30.596 -2.700 -8.515 315 HL21 4HJ 52 HL21 4HJ 52 31.693 -2.276 -7.163 316 HL23 4HJ 52 HL23 4HJ 52 31.601 -3.908 -7.764 317 HM 4HJ 52 HM 4HJ 52 31.568 0.267 -9.562 318 HN 4HJ 52 HN 4HJ 52 35.113 -0.461 -7.653 319 HL3 4HJ 52 HL3 4HJ 52 33.301 -0.904 -10.416 320 HO2 4HJ 52 HO2 4HJ 52 33.412 -0.049 -5.504 321 HO3 4HJ 52 HO3 4HJ 52 33.050 -1.709 -6.068 322 HP2 4HJ 52 HP2 4HJ 52 35.238 -2.423 -5.736 323 HP3 4HJ 52 HP3 4HJ 52 35.777 -0.767 -5.348 324 HS2 4HJ 52 HS2 4HJ 52 32.333 -3.005 -4.214 325 HS3 4HJ 52 HS3 4HJ 52 32.464 -2.784 -2.445 326 HT3 4HJ 52 HT3 4HJ 52 31.651 -4.896 -2.752 327 HT2 4HJ 52 HT2 4HJ 52 33.340 -5.206 -2.412 328 HY2 4HJ 52 HY2 4HJ 52 32.098 -6.834 -6.826 329 HR 4HJ 52 HR 4HJ 52 34.942 -3.608 -3.220 330 H ILE 53 H ILE 53 28.012 -7.686 -12.464 331 HA ILE 53 HA ILE 53 27.519 -5.090 -13.496 332 HB ILE 53 HB ILE 53 28.560 -7.303 -14.646 333 HG12 ILE 53 HG12 ILE 53 28.909 -5.152 -15.486 334 HG13 ILE 53 HG11 ILE 53 28.252 -6.149 -16.788 335 HG21 ILE 53 HG21 ILE 53 25.721 -7.190 -15.704 336 HG22 ILE 53 HG22 ILE 53 26.459 -8.538 -14.835 337 HG23 ILE 53 HG23 ILE 53 27.041 -8.102 -16.441 338 HD11 ILE 53 HD11 ILE 53 26.812 -4.090 -15.147 339 HD12 ILE 53 HD12 ILE 53 26.016 -5.188 -16.237 340 HD13 ILE 53 HD13 ILE 53 27.166 -3.973 -16.887 341 H ARG 54 H ARG 54 25.795 -7.944 -12.611 342 HA ARG 54 HA ARG 54 23.173 -6.936 -13.157 343 HB2 ARG 54 HB2 ARG 54 24.258 -8.999 -11.285 344 HB3 ARG 54 HB3 ARG 54 22.610 -8.426 -11.079 345 HG2 ARG 54 HG2 ARG 54 22.611 -10.458 -12.340 346 HG3 ARG 54 HG3 ARG 54 22.110 -9.127 -13.372 347 HD2 ARG 54 HD2 ARG 54 24.408 -9.039 -14.290 348 HD3 ARG 54 HD3 ARG 54 24.801 -10.457 -13.294 349 HE ARG 54 HE ARG 54 22.482 -10.711 -15.003 350 HH11 ARG 54 HH11 ARG 54 25.909 -11.559 -14.604 351 HH12 ARG 54 HH12 ARG 54 25.911 -12.681 -15.857 352 HH21 ARG 54 HH21 ARG 54 22.435 -12.177 -16.602 353 HH22 ARG 54 HH22 ARG 54 23.807 -13.102 -17.081 354 H LEU 55 H LEU 55 25.318 -6.810 -10.401 355 HA LEU 55 HA LEU 55 23.751 -5.452 -8.577 356 HB2 LEU 55 HB2 LEU 55 26.214 -6.438 -8.661 357 HB3 LEU 55 HB3 LEU 55 26.615 -4.730 -8.749 358 HG LEU 55 HG LEU 55 26.817 -5.240 -6.535 359 HD11 LEU 55 HD11 LEU 55 25.482 -3.299 -6.675 360 HD12 LEU 55 HD12 LEU 55 25.032 -4.250 -5.262 361 HD13 LEU 55 HD13 LEU 55 24.002 -4.260 -6.696 362 HD21 LEU 55 HD21 LEU 55 25.273 -6.652 -5.244 363 HD22 LEU 55 HD22 LEU 55 26.094 -7.458 -6.576 364 HD23 LEU 55 HD23 LEU 55 24.393 -6.997 -6.747 365 H MET 56 H MET 56 26.172 -4.010 -10.886 366 HA MET 56 HA MET 56 25.547 -1.343 -10.183 367 HB2 MET 56 HB2 MET 56 26.784 -2.357 -12.751 368 HB3 MET 56 HB3 MET 56 26.672 -0.668 -12.310 369 HG2 MET 56 HG2 MET 56 28.375 -2.806 -11.004 370 HG3 MET 56 HG3 MET 56 28.905 -1.378 -11.886 371 HE1 MET 56 HE1 MET 56 28.269 -2.952 -8.529 372 HE2 MET 56 HE2 MET 56 26.635 -2.330 -8.735 373 HE3 MET 56 HE3 MET 56 27.690 -1.649 -7.498 374 H ARG 57 H ARG 57 24.229 -3.456 -12.526 375 HA ARG 57 HA ARG 57 22.540 -1.712 -14.073 376 HB2 ARG 57 HB2 ARG 57 23.100 -4.162 -14.412 377 HB3 ARG 57 HB3 ARG 57 21.810 -4.434 -13.238 378 HG2 ARG 57 HG2 ARG 57 20.538 -2.714 -14.746 379 HG3 ARG 57 HG3 ARG 57 21.677 -3.301 -15.964 380 HD2 ARG 57 HD2 ARG 57 20.094 -4.872 -14.169 381 HD3 ARG 57 HD3 ARG 57 19.553 -4.469 -15.824 382 HE ARG 57 HE ARG 57 21.884 -5.632 -16.325 383 HH11 ARG 57 HH11 ARG 57 19.486 -6.831 -13.976 384 HH12 ARG 57 HH12 ARG 57 19.824 -8.478 -14.299 385 HH21 ARG 57 HH21 ARG 57 22.273 -7.988 -16.742 386 HH22 ARG 57 HH22 ARG 57 21.327 -9.119 -15.877 387 H TRP 58 H TRP 58 22.065 -3.424 -11.111 388 HA TRP 58 HA TRP 58 19.357 -2.556 -10.659 389 HB2 TRP 58 HB2 TRP 58 21.406 -3.479 -8.650 390 HB3 TRP 58 HB3 TRP 58 19.674 -3.251 -8.376 391 HD1 TRP 58 HD1 TRP 58 21.664 -6.051 -8.533 392 HE1 TRP 58 HE1 TRP 58 20.628 -8.048 -9.778 393 HE3 TRP 58 HE3 TRP 58 17.917 -3.620 -11.126 394 HZ2 TRP 58 HZ2 TRP 58 18.559 -8.525 -11.588 395 HZ3 TRP 58 HZ3 TRP 58 16.478 -4.934 -12.558 396 HH2 TRP 58 HH2 TRP 58 16.750 -7.317 -12.782 397 H LEU 59 H LEU 59 22.319 -1.052 -9.656 398 HA LEU 59 HA LEU 59 20.931 0.896 -8.162 399 HB2 LEU 59 HB2 LEU 59 23.599 0.924 -9.382 400 HB3 LEU 59 HB3 LEU 59 22.968 2.357 -8.575 401 HG LEU 59 HG LEU 59 22.576 0.619 -6.650 402 HD11 LEU 59 HD11 LEU 59 24.341 -1.060 -6.609 403 HD12 LEU 59 HD12 LEU 59 24.807 -0.530 -8.248 404 HD13 LEU 59 HD13 LEU 59 23.224 -1.235 -7.979 405 HD21 LEU 59 HD21 LEU 59 25.148 1.880 -7.437 406 HD22 LEU 59 HD22 LEU 59 24.796 1.290 -5.802 407 HD23 LEU 59 HD23 LEU 59 23.851 2.619 -6.512 408 H HIS 60 H HIS 60 21.985 0.931 -11.484 409 HA HIS 60 HA HIS 60 21.091 3.608 -11.695 410 HB2 HIS 60 HB2 HIS 60 21.915 3.635 -13.936 411 HB3 HIS 60 HB3 HIS 60 22.964 2.621 -12.946 412 HD1 HIS 60 HD1 HIS 60 20.090 2.035 -15.428 413 HD2 HIS 60 HD2 HIS 60 23.637 0.326 -14.118 414 HE1 HIS 60 HE1 HIS 60 20.473 0.017 -16.882 415 H TRP 61 H TRP 61 19.624 0.647 -11.779 416 HA TRP 61 HA TRP 61 17.421 1.249 -13.458 417 HB2 TRP 61 HB2 TRP 61 18.340 -1.015 -13.021 418 HB3 TRP 61 HB3 TRP 61 17.784 -0.887 -11.375 419 HD1 TRP 61 HD1 TRP 61 16.140 -0.597 -14.895 420 HE1 TRP 61 HE1 TRP 61 13.848 -1.744 -14.788 421 HE3 TRP 61 HE3 TRP 61 16.181 -1.934 -9.996 422 HZ2 TRP 61 HZ2 TRP 61 12.260 -3.076 -12.843 423 HZ3 TRP 61 HZ3 TRP 61 14.265 -3.139 -9.090 424 HH2 TRP 61 HH2 TRP 61 12.349 -3.703 -10.481 425 H PHE 62 H PHE 62 17.658 0.828 -9.862 426 HA PHE 62 HA PHE 62 15.114 2.136 -9.425 427 HB2 PHE 62 HB2 PHE 62 16.579 2.464 -7.060 428 HB3 PHE 62 HB3 PHE 62 15.249 1.326 -7.337 429 HD1 PHE 62 HD2 PHE 62 15.852 -0.952 -7.991 430 HD2 PHE 62 HD1 PHE 62 18.648 1.967 -6.784 431 HE1 PHE 62 HE2 PHE 62 17.446 -2.754 -7.554 432 HE2 PHE 62 HE1 PHE 62 20.325 0.140 -6.298 433 HZ PHE 62 HZ PHE 62 19.667 -2.238 -6.770 434 H ARG 63 H ARG 63 18.207 3.273 -9.928 435 HA ARG 63 HA ARG 63 18.386 5.677 -8.732 436 HB2 ARG 63 HB2 ARG 63 19.663 4.452 -10.749 437 HB3 ARG 63 HB3 ARG 63 18.938 5.789 -11.623 438 HG2 ARG 63 HG2 ARG 63 21.156 6.403 -10.956 439 HG3 ARG 63 HG3 ARG 63 20.004 7.341 -9.996 440 HD2 ARG 63 HD2 ARG 63 20.281 5.892 -8.118 441 HD3 ARG 63 HD3 ARG 63 21.228 4.757 -9.062 442 HE ARG 63 HE ARG 63 22.370 7.360 -8.976 443 HH11 ARG 63 HH11 ARG 63 22.050 4.306 -7.219 444 HH12 ARG 63 HH12 ARG 63 23.526 4.483 -6.362 445 HH21 ARG 63 HH21 ARG 63 24.441 7.591 -7.719 446 HH22 ARG 63 HH22 ARG 63 24.841 6.347 -6.621 447 H LYS 64 H LYS 64 16.348 4.838 -11.512 448 HA LYS 64 HA LYS 64 15.535 7.496 -12.091 449 HB2 LYS 64 HB2 LYS 64 13.889 6.508 -13.670 450 HB3 LYS 64 HB3 LYS 64 15.528 5.965 -13.931 451 HG2 LYS 64 HG2 LYS 64 14.172 4.077 -14.254 452 HG3 LYS 64 HG3 LYS 64 14.883 3.881 -12.649 453 HD2 LYS 64 HD2 LYS 64 12.892 4.768 -11.657 454 HD3 LYS 64 HD3 LYS 64 12.142 4.959 -13.231 455 HE2 LYS 64 HE2 LYS 64 11.262 2.884 -12.265 456 HE3 LYS 64 HE3 LYS 64 12.334 2.464 -13.593 457 HZ1 LYS 64 HZ1 LYS 64 13.089 2.459 -10.734 458 HZ2 LYS 64 HZ2 LYS 64 14.068 1.858 -11.939 459 HZ3 LYS 64 HZ3 LYS 64 12.614 1.077 -11.511 460 H ASN 65 H ASN 65 14.688 5.615 -9.556 461 HA ASN 65 HA ASN 65 12.046 6.833 -9.210 462 HB2 ASN 65 HB2 ASN 65 13.548 5.111 -7.230 463 HB3 ASN 65 HB3 ASN 65 11.842 5.485 -7.236 464 HD21 ASN 65 HD21 ASN 65 11.266 3.316 -7.129 465 HD22 ASN 65 HD22 ASN 65 11.491 2.259 -8.452 466 H GLY 66 H GLY 66 15.199 7.631 -8.808 467 HA2 GLY 66 HA2 GLY 66 16.084 9.502 -7.761 468 HA3 GLY 66 HA3 GLY 66 14.619 9.628 -6.795 469 H TYR 67 H TYR 67 16.508 6.605 -7.071 470 HA TYR 67 HA TYR 67 16.998 6.864 -4.233 471 HB2 TYR 67 HB2 TYR 67 17.084 4.438 -6.052 472 HB3 TYR 67 HB3 TYR 67 17.361 4.410 -4.312 473 HD1 TYR 67 HD2 TYR 67 15.136 6.483 -3.681 474 HD2 TYR 67 HD1 TYR 67 15.144 2.935 -6.032 475 HE1 TYR 67 HE2 TYR 67 12.737 6.218 -3.278 476 HE2 TYR 67 HE1 TYR 67 12.743 2.663 -5.614 477 HH TYR 67 HH TYR 67 10.851 5.158 -4.327 478 H ARG 68 H ARG 68 18.914 7.297 -3.496 479 HA ARG 68 HA ARG 68 21.165 7.372 -5.392 480 HB2 ARG 68 HB2 ARG 68 20.672 8.924 -2.879 481 HB3 ARG 68 HB3 ARG 68 22.082 9.095 -3.909 482 HG2 ARG 68 HG2 ARG 68 20.649 9.909 -5.740 483 HG3 ARG 68 HG3 ARG 68 19.236 9.745 -4.698 484 HD2 ARG 68 HD2 ARG 68 20.202 11.381 -3.143 485 HD3 ARG 68 HD3 ARG 68 21.606 11.547 -4.194 486 HE ARG 68 HE ARG 68 19.350 12.044 -5.719 487 HH11 ARG 68 HH11 ARG 68 21.035 13.547 -2.990 488 HH12 ARG 68 HH12 ARG 68 20.550 15.135 -3.338 489 HH21 ARG 68 HH21 ARG 68 18.654 14.262 -6.237 490 HH22 ARG 68 HH22 ARG 68 19.147 15.551 -5.254 491 H LEU 69 H LEU 69 22.543 5.760 -5.018 492 HA LEU 69 HA LEU 69 23.300 5.004 -2.261 493 HB2 LEU 69 HB2 LEU 69 22.711 3.026 -4.466 494 HB3 LEU 69 HB3 LEU 69 23.153 2.672 -2.813 495 HG LEU 69 HG LEU 69 20.527 3.876 -3.702 496 HD11 LEU 69 HD11 LEU 69 20.710 1.573 -4.412 497 HD12 LEU 69 HD12 LEU 69 19.548 1.722 -3.104 498 HD13 LEU 69 HD13 LEU 69 21.157 1.076 -2.781 499 HD21 LEU 69 HD21 LEU 69 19.810 3.433 -1.382 500 HD22 LEU 69 HD22 LEU 69 21.089 4.631 -1.508 501 HD23 LEU 69 HD23 LEU 69 21.476 2.986 -0.972 502 H THR 70 H THR 70 25.425 4.269 -2.108 503 HA THR 70 HA THR 70 27.004 4.655 -4.503 504 HB THR 70 HB THR 70 28.051 3.988 -1.730 505 HG1 THR 70 HG1 THR 70 26.830 5.623 -1.252 506 HG21 THR 70 HG21 THR 70 29.671 4.110 -3.602 507 HG22 THR 70 HG22 THR 70 29.947 5.409 -2.447 508 HG23 THR 70 HG23 THR 70 29.117 5.743 -3.964 509 H LEU 71 H LEU 71 28.857 2.673 -4.104 510 HA LEU 71 HA LEU 71 27.081 0.589 -4.898 511 HB2 LEU 71 HB2 LEU 71 30.071 0.432 -5.125 512 HB3 LEU 71 HB3 LEU 71 28.861 -0.677 -5.760 513 HG LEU 71 HG LEU 71 29.507 0.569 -7.626 514 HD11 LEU 71 HD11 LEU 71 27.059 1.917 -6.553 515 HD12 LEU 71 HD12 LEU 71 27.100 0.383 -7.401 516 HD13 LEU 71 HD13 LEU 71 27.558 1.871 -8.244 517 HD21 LEU 71 HD21 LEU 71 30.732 2.304 -6.480 518 HD22 LEU 71 HD22 LEU 71 29.166 2.996 -5.970 519 HD23 LEU 71 HD23 LEU 71 29.611 2.964 -7.697 520 H ARG 72 H ARG 72 29.117 1.179 -2.263 521 HA ARG 72 HA ARG 72 29.764 -1.572 -1.691 522 HB2 ARG 72 HB2 ARG 72 31.355 0.246 -1.285 523 HB3 ARG 72 HB3 ARG 72 30.265 0.936 -0.097 524 HG2 ARG 72 HG2 ARG 72 30.552 -0.962 1.340 525 HG3 ARG 72 HG3 ARG 72 31.522 -1.786 0.113 526 HD2 ARG 72 HD2 ARG 72 32.245 0.825 1.452 527 HD3 ARG 72 HD3 ARG 72 32.922 -0.749 1.868 528 HE ARG 72 HE ARG 72 33.442 -0.572 -0.765 529 HH11 ARG 72 HH11 ARG 72 34.101 1.671 1.882 530 HH12 ARG 72 HH12 ARG 72 35.505 2.332 1.179 531 HH21 ARG 72 HH21 ARG 72 35.336 0.293 -1.750 532 HH22 ARG 72 HH22 ARG 72 36.243 1.511 -0.985 533 H GLU 73 H GLU 73 27.345 0.668 -0.664 534 HA GLU 73 HA GLU 73 26.593 -0.546 1.733 535 HB2 GLU 73 HB2 GLU 73 24.802 0.867 -0.244 536 HB3 GLU 73 HB3 GLU 73 24.497 0.642 1.474 537 HG2 GLU 73 HG2 GLU 73 25.314 2.801 1.508 538 HG3 GLU 73 HG3 GLU 73 26.819 1.832 1.627 539 H LEU 74 H LEU 74 25.551 -1.032 -1.497 540 HA LEU 74 HA LEU 74 23.604 -3.056 -0.895 541 HB2 LEU 74 HB2 LEU 74 24.937 -2.707 -3.576 542 HB3 LEU 74 HB3 LEU 74 23.452 -3.570 -3.254 543 HG LEU 74 HG LEU 74 22.738 -1.157 -2.380 544 HD11 LEU 74 HD11 LEU 74 24.802 -0.074 -2.803 545 HD12 LEU 74 HD12 LEU 74 23.607 0.541 -3.942 546 HD13 LEU 74 HD13 LEU 74 24.825 -0.613 -4.470 547 HD21 LEU 74 HD21 LEU 74 21.691 -0.782 -4.537 548 HD22 LEU 74 HD22 LEU 74 21.533 -2.459 -4.018 549 HD23 LEU 74 HD23 LEU 74 22.714 -2.024 -5.266 550 H TYR 75 H TYR 75 26.965 -3.123 -1.361 551 HA TYR 75 HA TYR 75 27.137 -6.005 -1.771 552 HB2 TYR 75 HB2 TYR 75 29.150 -3.823 -1.446 553 HB3 TYR 75 HB3 TYR 75 29.650 -5.498 -1.429 554 HD1 TYR 75 HD1 TYR 75 28.425 -6.836 -3.408 555 HD2 TYR 75 HD2 TYR 75 29.435 -2.760 -3.388 556 HE1 TYR 75 HE1 TYR 75 28.507 -6.852 -5.916 557 HE2 TYR 75 HE2 TYR 75 29.507 -2.732 -5.855 558 HH TYR 75 HH TYR 75 29.859 -4.440 -7.712 559 H ALA 76 H ALA 76 27.309 -3.729 0.829 560 HA ALA 76 HA ALA 76 28.546 -5.564 2.546 561 HB1 ALA 76 HB1 ALA 76 28.799 -3.169 2.935 562 HB2 ALA 76 HB2 ALA 76 28.078 -3.932 4.353 563 HB3 ALA 76 HB3 ALA 76 27.068 -3.017 3.234 564 H ALA 77 H ALA 77 25.268 -4.478 1.935 565 HA ALA 77 HA ALA 77 24.325 -6.854 3.339 566 HB1 ALA 77 HB1 ALA 77 22.333 -5.642 4.087 567 HB2 ALA 77 HB2 ALA 77 22.940 -4.166 3.339 568 HB3 ALA 77 HB3 ALA 77 23.798 -4.877 4.707 569 HA PRO 78 HA PRO 78 22.663 -6.855 -0.891 570 HB2 PRO 78 HB2 PRO 78 23.755 -9.403 -1.437 571 HB3 PRO 78 HB3 PRO 78 24.389 -7.846 -2.006 572 HG2 PRO 78 HG2 PRO 78 25.696 -9.536 -0.239 573 HG3 PRO 78 HG3 PRO 78 26.055 -7.819 -0.493 574 HD2 PRO 78 HD2 PRO 78 24.460 -9.100 1.675 575 HD3 PRO 78 HD3 PRO 78 25.553 -7.698 1.739 576 H THR 79 H THR 79 20.692 -7.073 0.219 577 HA THR 79 HA THR 79 19.505 -9.701 -0.052 578 HB THR 79 HB THR 79 18.285 -9.413 2.111 579 HG1 THR 79 HG1 THR 79 19.979 -7.570 3.170 580 HG21 THR 79 HG21 THR 79 21.276 -9.272 2.539 581 HG22 THR 79 HG22 THR 79 20.351 -10.739 2.215 582 HG23 THR 79 HG23 THR 79 20.096 -9.849 3.716 583 H LEU 80 H LEU 80 17.255 -9.367 -0.661 584 HA LEU 80 HA LEU 80 16.774 -6.832 -1.869 585 HB2 LEU 80 HB2 LEU 80 14.702 -8.907 -1.227 586 HB3 LEU 80 HB3 LEU 80 14.573 -7.515 -2.291 587 HG LEU 80 HG LEU 80 16.388 -9.812 -2.687 588 HD11 LEU 80 HD11 LEU 80 14.803 -10.374 -4.544 589 HD12 LEU 80 HD12 LEU 80 13.838 -8.975 -4.064 590 HD13 LEU 80 HD13 LEU 80 13.979 -10.359 -2.970 591 HD21 LEU 80 HD21 LEU 80 15.694 -7.489 -4.482 592 HD22 LEU 80 HD22 LEU 80 16.685 -8.861 -4.963 593 HD23 LEU 80 HD23 LEU 80 17.252 -7.762 -3.702 594 H ALA 81 H ALA 81 16.035 -8.271 1.104 595 HA ALA 81 HA ALA 81 14.127 -6.508 2.155 596 HB1 ALA 81 HB1 ALA 81 14.901 -7.186 4.377 597 HB2 ALA 81 HB2 ALA 81 16.372 -7.852 3.668 598 HB3 ALA 81 HB3 ALA 81 14.809 -8.579 3.298 599 H ALA 82 H ALA 82 17.705 -6.295 2.422 600 HA ALA 82 HA ALA 82 17.628 -3.748 3.658 601 HB1 ALA 82 HB1 ALA 82 20.033 -3.675 3.298 602 HB2 ALA 82 HB2 ALA 82 19.924 -5.047 2.196 603 HB3 ALA 82 HB3 ALA 82 19.548 -5.259 3.906 604 H TRP 83 H TRP 83 17.859 -4.810 0.319 605 HA TRP 83 HA TRP 83 18.485 -2.247 -0.702 606 HB2 TRP 83 HB2 TRP 83 17.279 -4.653 -2.078 607 HB3 TRP 83 HB3 TRP 83 17.712 -3.176 -2.925 608 HD1 TRP 83 HD1 TRP 83 20.217 -4.122 -0.265 609 HE1 TRP 83 HE1 TRP 83 22.313 -5.125 -1.341 610 HE3 TRP 83 HE3 TRP 83 18.460 -4.678 -5.018 611 HZ2 TRP 83 HZ2 TRP 83 23.120 -6.053 -3.894 612 HZ3 TRP 83 HZ3 TRP 83 19.956 -5.637 -6.725 613 HH2 TRP 83 HH2 TRP 83 22.237 -6.304 -6.173 614 H ASN 84 H ASN 84 15.433 -3.839 -0.065 615 HA ASN 84 HA ASN 84 13.642 -1.963 -1.165 616 HB2 ASN 84 HB2 ASN 84 13.158 -4.283 -0.195 617 HB3 ASN 84 HB3 ASN 84 13.306 -3.572 1.395 618 HD21 ASN 84 HD21 ASN 84 11.138 -4.984 0.167 619 HD22 ASN 84 HD22 ASN 84 9.732 -4.036 0.174 620 H GLN 85 H GLN 85 15.329 -2.157 1.900 621 HA GLN 85 HA GLN 85 14.251 0.173 3.104 622 HB2 GLN 85 HB2 GLN 85 15.198 -1.655 4.404 623 HB3 GLN 85 HB3 GLN 85 16.756 -1.430 3.636 624 HG2 GLN 85 HG2 GLN 85 17.073 0.655 4.764 625 HG3 GLN 85 HG3 GLN 85 15.428 0.604 5.403 626 HE21 GLN 85 HE21 GLN 85 18.675 -0.748 5.686 627 HE22 GLN 85 HE22 GLN 85 18.393 -1.571 7.151 628 H LEU 86 H LEU 86 17.252 -0.524 1.346 629 HA LEU 86 HA LEU 86 18.485 1.955 1.419 630 HB2 LEU 86 HB2 LEU 86 18.524 -0.129 -0.740 631 HB3 LEU 86 HB3 LEU 86 19.551 1.283 -0.749 632 HG LEU 86 HG LEU 86 19.577 -0.838 1.388 633 HD11 LEU 86 HD11 LEU 86 21.712 -1.494 0.375 634 HD12 LEU 86 HD12 LEU 86 21.486 -0.246 -0.855 635 HD13 LEU 86 HD13 LEU 86 20.400 -1.635 -0.807 636 HD21 LEU 86 HD21 LEU 86 20.298 1.345 2.204 637 HD22 LEU 86 HD22 LEU 86 21.408 1.472 0.836 638 HD23 LEU 86 HD23 LEU 86 21.672 0.238 2.065 639 H MET 87 H MET 87 15.907 0.791 -0.622 640 HA MET 87 HA MET 87 15.885 2.806 -2.559 641 HB2 MET 87 HB2 MET 87 13.671 1.140 -1.428 642 HB3 MET 87 HB3 MET 87 13.419 2.305 -2.713 643 HG2 MET 87 HG2 MET 87 15.070 1.100 -4.064 644 HG3 MET 87 HG3 MET 87 15.186 -0.105 -2.778 645 HE1 MET 87 HE1 MET 87 13.183 -1.760 -5.697 646 HE2 MET 87 HE2 MET 87 14.621 -1.858 -4.660 647 HE3 MET 87 HE3 MET 87 14.455 -0.520 -5.809 648 H LEU 88 H LEU 88 13.781 2.449 0.222 649 HA LEU 88 HA LEU 88 12.889 5.082 -0.273 650 HB2 LEU 88 HB2 LEU 88 11.217 4.535 1.596 651 HB3 LEU 88 HB3 LEU 88 11.061 3.916 -0.031 652 HG LEU 88 HG LEU 88 12.358 1.885 0.941 653 HD11 LEU 88 HD11 LEU 88 11.866 1.428 3.249 654 HD12 LEU 88 HD12 LEU 88 11.103 3.026 3.390 655 HD13 LEU 88 HD13 LEU 88 12.826 2.903 3.027 656 HD21 LEU 88 HD21 LEU 88 10.252 1.914 -0.047 657 HD22 LEU 88 HD22 LEU 88 9.490 2.508 1.432 658 HD23 LEU 88 HD23 LEU 88 10.193 0.863 1.380 659 H SER 89 H SER 89 14.701 3.596 2.312 660 HA SER 89 HA SER 89 14.628 6.115 3.793 661 HB2 SER 89 HB2 SER 89 15.863 3.482 4.458 662 HB3 SER 89 HB3 SER 89 15.708 4.866 5.530 663 HG SER 89 HG SER 89 13.300 4.516 4.735 664 H ARG 90 H ARG 90 16.478 4.640 1.412 665 HA ARG 90 HA ARG 90 18.457 4.860 0.572 666 HB2 ARG 90 HB2 ARG 90 18.368 7.482 2.017 667 HB3 ARG 90 HB3 ARG 90 19.797 6.996 1.122 668 HG2 ARG 90 HG2 ARG 90 18.392 8.450 -0.190 669 HG3 ARG 90 HG3 ARG 90 18.465 6.854 -0.935 670 HD2 ARG 90 HD2 ARG 90 16.265 6.361 0.015 671 HD3 ARG 90 HD3 ARG 90 16.216 7.962 0.753 672 HE ARG 90 HE ARG 90 16.670 8.061 -2.056 673 HH11 ARG 90 HH11 ARG 90 14.068 7.668 0.320 674 HH12 ARG 90 HH12 ARG 90 12.865 8.346 -0.658 675 HH21 ARG 90 HH21 ARG 90 15.020 8.953 -3.451 676 HH22 ARG 90 HH22 ARG 90 13.421 9.097 -2.895 677 H SER 91 H SER 91 18.941 5.864 3.835 678 HA SER 91 HA SER 91 20.696 3.639 4.310 679 HB2 SER 91 HB2 SER 91 22.000 6.382 4.299 680 HB3 SER 91 HB3 SER 91 22.771 4.865 4.750 681 HG SER 91 HG SER 91 21.865 4.373 2.414 682 HA PRO 92 HA PRO 92 19.281 5.281 8.368 683 HB2 PRO 92 HB2 PRO 92 17.453 3.465 9.029 684 HB3 PRO 92 HB3 PRO 92 17.011 4.738 7.868 685 HG2 PRO 92 HG2 PRO 92 17.744 1.905 7.331 686 HG3 PRO 92 HG3 PRO 92 16.459 2.892 6.607 687 HD2 PRO 92 HD2 PRO 92 18.921 2.455 5.418 688 HD3 PRO 92 HD3 PRO 92 17.847 3.835 5.081 689 H GLU 93 H GLU 93 20.563 2.556 6.882 690 HA GLU 93 HA GLU 93 22.070 1.567 9.005 691 HB2 GLU 93 HB2 GLU 93 19.896 0.379 9.351 692 HB3 GLU 93 HB3 GLU 93 19.841 -0.014 7.646 693 HG2 GLU 93 HG2 GLU 93 21.816 -1.447 7.930 694 HG3 GLU 93 HG3 GLU 93 21.832 -1.058 9.652 Start of MODEL 9 1 H ASP 14 HT1 ASP 14 8.632 6.804 0.832 2 HA ASP 14 HA ASP 14 10.339 6.413 -1.525 3 HB2 ASP 14 HB2 ASP 14 9.482 4.386 -0.134 4 HB3 ASP 14 HB3 ASP 14 7.895 4.848 -0.696 5 H ASN 15 H ASN 15 7.859 5.630 -2.865 6 HA ASN 15 HA ASN 15 6.036 7.865 -3.107 7 HB2 ASN 15 HB2 ASN 15 8.267 8.521 -4.308 8 HB3 ASN 15 HB3 ASN 15 8.018 7.103 -5.308 9 HD21 ASN 15 HD21 ASN 15 6.895 10.303 -4.545 10 HD22 ASN 15 HD22 ASN 15 5.946 10.526 -5.962 11 H ARG 16 H ARG 16 6.018 6.557 -5.893 12 HA ARG 16 HA ARG 16 4.225 4.385 -5.225 13 HB2 ARG 16 HB2 ARG 16 5.284 5.314 -7.861 14 HB3 ARG 16 HB3 ARG 16 3.829 4.369 -7.562 15 HG2 ARG 16 HG2 ARG 16 2.703 6.181 -6.623 16 HG3 ARG 16 HG3 ARG 16 4.204 7.094 -6.403 17 HD2 ARG 16 HD2 ARG 16 2.962 6.273 -8.996 18 HD3 ARG 16 HD3 ARG 16 2.955 7.930 -8.344 19 HE ARG 16 HE ARG 16 5.533 7.459 -8.363 20 HH11 ARG 16 HH11 ARG 16 3.209 6.953 -10.974 21 HH12 ARG 16 HH12 ARG 16 4.367 6.856 -12.220 22 HH21 ARG 16 HH21 ARG 16 7.192 7.242 -10.074 23 HH22 ARG 16 HH22 ARG 16 6.718 7.039 -11.676 24 H HIS 17 H HIS 17 7.433 4.793 -5.362 25 HA HIS 17 HA HIS 17 8.275 2.999 -7.324 26 HB2 HIS 17 HB2 HIS 17 9.869 4.628 -5.403 27 HB3 HIS 17 HB3 HIS 17 10.562 3.625 -6.689 28 HD1 HIS 17 HD1 HIS 17 10.061 6.967 -6.296 29 HD2 HIS 17 HD2 HIS 17 8.742 4.246 -9.134 30 HE1 HIS 17 HE1 HIS 17 9.337 8.368 -8.289 31 H ALA 18 H ALA 18 7.713 2.464 -4.044 32 HA ALA 18 HA ALA 18 9.118 0.058 -3.728 33 HB1 ALA 18 HB1 ALA 18 7.649 1.036 -1.984 34 HB2 ALA 18 HB2 ALA 18 7.323 -0.676 -2.255 35 HB3 ALA 18 HB3 ALA 18 6.240 0.546 -2.926 36 H ALA 19 H ALA 19 6.702 0.775 -6.045 37 HA ALA 19 HA ALA 19 6.055 -1.893 -6.764 38 HB1 ALA 19 HB1 ALA 19 5.173 -0.928 -8.829 39 HB2 ALA 19 HB2 ALA 19 5.947 0.611 -8.449 40 HB3 ALA 19 HB3 ALA 19 4.644 0.005 -7.427 41 H ASP 20 H ASP 20 8.860 0.161 -7.355 42 HA ASP 20 HA ASP 20 9.782 -1.029 -9.661 43 HB2 ASP 20 HB2 ASP 20 11.175 0.481 -7.477 44 HB3 ASP 20 HB3 ASP 20 12.199 -0.512 -8.493 45 H TYR 21 H TYR 21 9.923 -1.917 -6.289 46 HA TYR 21 HA TYR 21 11.767 -4.026 -6.141 47 HB2 TYR 21 HB2 TYR 21 10.806 -3.216 -4.095 48 HB3 TYR 21 HB3 TYR 21 9.172 -3.575 -4.640 49 HD1 TYR 21 HD1 TYR 21 12.346 -5.107 -3.488 50 HD2 TYR 21 HD2 TYR 21 8.229 -5.743 -4.363 51 HE1 TYR 21 HE1 TYR 21 12.468 -7.360 -2.502 52 HE2 TYR 21 HE2 TYR 21 8.356 -7.981 -3.376 53 HH TYR 21 HH TYR 21 10.940 -9.100 -1.510 54 H GLN 22 H GLN 22 8.521 -4.080 -7.432 55 HA GLN 22 HA GLN 22 8.156 -6.886 -7.529 56 HB2 GLN 22 HB2 GLN 22 6.368 -5.136 -8.021 57 HB3 GLN 22 HB3 GLN 22 7.116 -4.903 -9.587 58 HG2 GLN 22 HG2 GLN 22 5.944 -7.532 -8.655 59 HG3 GLN 22 HG3 GLN 22 5.050 -6.333 -9.569 60 HE21 GLN 22 HE21 GLN 22 5.728 -9.126 -10.169 61 HE22 GLN 22 HE22 GLN 22 6.567 -9.122 -11.674 62 H GLN 23 H GLN 23 9.235 -4.698 -10.075 63 HA GLN 23 HA GLN 23 10.055 -6.690 -11.871 64 HB2 GLN 23 HB2 GLN 23 11.190 -3.892 -11.668 65 HB3 GLN 23 HB3 GLN 23 11.377 -4.972 -13.024 66 HG2 GLN 23 HG2 GLN 23 9.798 -3.328 -13.645 67 HG3 GLN 23 HG3 GLN 23 8.887 -4.805 -13.357 68 HE21 GLN 23 HE21 GLN 23 9.657 -1.610 -12.094 69 HE22 GLN 23 HE22 GLN 23 8.308 -1.576 -11.015 70 H LEU 24 H LEU 24 11.754 -4.900 -9.380 71 HA LEU 24 HA LEU 24 14.399 -5.565 -9.811 72 HB2 LEU 24 HB2 LEU 24 13.116 -4.190 -7.915 73 HB3 LEU 24 HB3 LEU 24 13.337 -5.670 -7.020 74 HG LEU 24 HG LEU 24 15.453 -3.818 -8.076 75 HD11 LEU 24 HD11 LEU 24 14.688 -4.630 -5.289 76 HD12 LEU 24 HD12 LEU 24 14.405 -3.070 -6.059 77 HD13 LEU 24 HD13 LEU 24 16.051 -3.593 -5.709 78 HD21 LEU 24 HD21 LEU 24 15.888 -6.470 -6.684 79 HD22 LEU 24 HD22 LEU 24 17.144 -5.292 -7.070 80 HD23 LEU 24 HD23 LEU 24 16.273 -6.107 -8.366 81 H ARG 25 H ARG 25 12.002 -7.415 -7.819 82 HA ARG 25 HA ARG 25 13.800 -9.485 -7.357 83 HB2 ARG 25 HB2 ARG 25 12.119 -9.074 -5.718 84 HB3 ARG 25 HB3 ARG 25 10.838 -9.147 -6.922 85 HG2 ARG 25 HG2 ARG 25 11.308 -11.405 -7.335 86 HG3 ARG 25 HG3 ARG 25 12.607 -11.408 -6.138 87 HD2 ARG 25 HD2 ARG 25 9.803 -10.660 -5.392 88 HD3 ARG 25 HD3 ARG 25 10.239 -12.370 -5.486 89 HE ARG 25 HE ARG 25 11.041 -10.396 -3.473 90 HH11 ARG 25 HH11 ARG 25 11.578 -13.648 -4.724 91 HH12 ARG 25 HH12 ARG 25 11.975 -14.354 -3.224 92 HH21 ARG 25 HH21 ARG 25 11.614 -11.342 -1.377 93 HH22 ARG 25 HH22 ARG 25 12.008 -12.977 -1.271 94 H GLU 26 H GLU 26 10.941 -9.129 -9.568 95 HA GLU 26 HA GLU 26 10.907 -11.780 -10.331 96 HB2 GLU 26 HB2 GLU 26 9.159 -9.911 -10.675 97 HB3 GLU 26 HB3 GLU 26 10.036 -9.591 -12.168 98 HG2 GLU 26 HG2 GLU 26 9.802 -12.098 -12.591 99 HG3 GLU 26 HG3 GLU 26 8.558 -12.028 -11.340 100 H ARG 27 H ARG 27 12.582 -9.008 -11.842 101 HA ARG 27 HA ARG 27 13.233 -10.282 -14.230 102 HB2 ARG 27 HB2 ARG 27 14.802 -8.114 -12.939 103 HB3 ARG 27 HB3 ARG 27 14.889 -8.606 -14.630 104 HG2 ARG 27 HG2 ARG 27 12.504 -7.553 -13.205 105 HG3 ARG 27 HG3 ARG 27 13.579 -6.716 -14.369 106 HD2 ARG 27 HD2 ARG 27 12.536 -7.658 -16.141 107 HD3 ARG 27 HD3 ARG 27 12.198 -9.171 -15.307 108 HE ARG 27 HE ARG 27 10.710 -6.685 -14.777 109 HH11 ARG 27 HH11 ARG 27 10.731 -10.100 -15.662 110 HH12 ARG 27 HH12 ARG 27 9.171 -10.409 -15.030 111 HH21 ARG 27 HH21 ARG 27 8.424 -7.177 -13.886 112 HH22 ARG 27 HH22 ARG 27 7.919 -8.781 -14.019 113 H LEU 28 H LEU 28 14.820 -10.241 -11.142 114 HA LEU 28 HA LEU 28 17.237 -11.428 -12.031 115 HB2 LEU 28 HB2 LEU 28 16.019 -11.106 -9.309 116 HB3 LEU 28 HB3 LEU 28 17.574 -11.874 -9.576 117 HG LEU 28 HG LEU 28 16.895 -9.039 -10.326 118 HD11 LEU 28 HD11 LEU 28 18.387 -8.409 -8.527 119 HD12 LEU 28 HD12 LEU 28 18.588 -10.117 -8.080 120 HD13 LEU 28 HD13 LEU 28 17.012 -9.337 -7.922 121 HD21 LEU 28 HD21 LEU 28 19.325 -8.888 -10.721 122 HD22 LEU 28 HD22 LEU 28 18.464 -9.959 -11.824 123 HD23 LEU 28 HD23 LEU 28 19.432 -10.649 -10.514 124 H ILE 29 H ILE 29 14.303 -12.618 -10.614 125 HA ILE 29 HA ILE 29 15.136 -15.250 -10.314 126 HB ILE 29 HB ILE 29 12.484 -13.886 -10.401 127 HG12 ILE 29 HG12 ILE 29 12.164 -14.899 -8.229 128 HG13 ILE 29 HG11 ILE 29 13.605 -15.881 -8.441 129 HG21 ILE 29 HG21 ILE 29 11.951 -15.779 -11.780 130 HG22 ILE 29 HG22 ILE 29 11.186 -15.924 -10.191 131 HG23 ILE 29 HG23 ILE 29 12.622 -16.878 -10.566 132 HD11 ILE 29 HD11 ILE 29 14.970 -13.963 -8.421 133 HD12 ILE 29 HD12 ILE 29 13.951 -13.956 -6.964 134 HD13 ILE 29 HD13 ILE 29 13.580 -12.881 -8.323 135 H GLN 30 H GLN 30 13.967 -13.561 -13.095 136 HA GLN 30 HA GLN 30 13.392 -15.803 -14.738 137 HB2 GLN 30 HB2 GLN 30 14.427 -13.194 -15.793 138 HB3 GLN 30 HB3 GLN 30 13.306 -14.327 -16.544 139 HG2 GLN 30 HG2 GLN 30 11.710 -13.749 -14.640 140 HG3 GLN 30 HG3 GLN 30 12.866 -12.462 -14.286 141 HE21 GLN 30 HE21 GLN 30 10.523 -13.603 -16.564 142 HE22 GLN 30 HE22 GLN 30 10.359 -12.130 -17.445 143 H GLU 31 H GLU 31 16.386 -13.903 -14.141 144 HA GLU 31 HA GLU 31 17.801 -15.397 -16.042 145 HB2 GLU 31 HB2 GLU 31 18.396 -13.207 -16.060 146 HB3 GLU 31 HB3 GLU 31 18.073 -12.988 -14.353 147 HG2 GLU 31 HG2 GLU 31 19.920 -13.925 -13.750 148 HG3 GLU 31 HG3 GLU 31 20.349 -14.584 -15.347 149 H LEU 32 H LEU 32 17.313 -15.309 -12.556 150 HA LEU 32 HA LEU 32 19.485 -17.011 -11.965 151 HB2 LEU 32 HB2 LEU 32 17.118 -16.104 -10.282 152 HB3 LEU 32 HB3 LEU 32 18.420 -17.116 -9.683 153 HG LEU 32 HG LEU 32 18.593 -14.321 -10.712 154 HD11 LEU 32 HD11 LEU 32 19.313 -13.774 -8.433 155 HD12 LEU 32 HD12 LEU 32 19.017 -15.446 -7.961 156 HD13 LEU 32 HD13 LEU 32 17.678 -14.427 -8.498 157 HD21 LEU 32 HD21 LEU 32 20.798 -16.142 -9.779 158 HD22 LEU 32 HD22 LEU 32 20.973 -14.411 -9.972 159 HD23 LEU 32 HD23 LEU 32 20.619 -15.413 -11.377 160 H ASN 33 H ASN 33 16.284 -17.546 -13.010 161 HA ASN 33 HA ASN 33 15.217 -19.317 -13.775 162 HB2 ASN 33 HB2 ASN 33 17.991 -20.440 -13.748 163 HB3 ASN 33 HB3 ASN 33 16.635 -21.477 -14.172 164 HD21 ASN 33 HD21 ASN 33 18.493 -18.637 -15.120 165 HD22 ASN 33 HD22 ASN 33 17.893 -18.613 -16.737 166 H LEU 34 H LEU 34 15.502 -18.995 -10.785 167 HA LEU 34 HA LEU 34 14.387 -21.609 -10.228 168 HB2 LEU 34 HB2 LEU 34 15.361 -21.810 -8.141 169 HB3 LEU 34 HB3 LEU 34 16.670 -21.308 -9.183 170 HG LEU 34 HG LEU 34 15.215 -19.516 -7.229 171 HD11 LEU 34 HD11 LEU 34 16.478 -21.255 -6.136 172 HD12 LEU 34 HD12 LEU 34 17.261 -19.688 -5.899 173 HD13 LEU 34 HD13 LEU 34 17.904 -20.842 -7.080 174 HD21 LEU 34 HD21 LEU 34 17.731 -19.084 -8.821 175 HD22 LEU 34 HD22 LEU 34 17.027 -17.952 -7.655 176 HD23 LEU 34 HD23 LEU 34 16.163 -18.353 -9.149 177 H THR 35 H THR 35 13.157 -21.284 -7.883 178 HA THR 35 HA THR 35 11.214 -19.336 -8.645 179 HB THR 35 HB THR 35 9.985 -20.309 -6.654 180 HG1 THR 35 HG1 THR 35 11.019 -22.465 -6.088 181 HG21 THR 35 HG21 THR 35 9.579 -21.135 -8.934 182 HG22 THR 35 HG22 THR 35 9.482 -22.449 -7.763 183 HG23 THR 35 HG23 THR 35 10.921 -22.266 -8.765 184 HA PRO 36 HA PRO 36 12.584 -16.118 -5.914 185 HB2 PRO 36 HB2 PRO 36 10.149 -15.141 -5.067 186 HB3 PRO 36 HB3 PRO 36 10.842 -14.775 -6.657 187 HG2 PRO 36 HG2 PRO 36 8.792 -16.798 -5.932 188 HG3 PRO 36 HG3 PRO 36 8.858 -15.710 -7.333 189 HD2 PRO 36 HD2 PRO 36 9.523 -18.271 -7.572 190 HD3 PRO 36 HD3 PRO 36 10.405 -17.007 -8.450 191 H GLN 37 H GLN 37 11.161 -18.779 -4.922 192 HA GLN 37 HA GLN 37 10.849 -18.121 -2.078 193 HB2 GLN 37 HB2 GLN 37 9.868 -20.593 -3.507 194 HB3 GLN 37 HB3 GLN 37 9.573 -20.188 -1.821 195 HG2 GLN 37 HG2 GLN 37 8.568 -18.700 -4.240 196 HG3 GLN 37 HG3 GLN 37 7.617 -19.686 -3.135 197 HE21 GLN 37 HE21 GLN 37 9.001 -18.615 -0.740 198 HE22 GLN 37 HE22 GLN 37 8.396 -17.008 -0.563 199 H GLN 38 H GLN 38 12.777 -20.024 -4.314 200 HA GLN 38 HA GLN 38 14.072 -21.362 -2.049 201 HB2 GLN 38 HB2 GLN 38 14.443 -21.752 -5.035 202 HB3 GLN 38 HB3 GLN 38 15.274 -22.669 -3.790 203 HG2 GLN 38 HG2 GLN 38 12.316 -22.664 -4.346 204 HG3 GLN 38 HG3 GLN 38 13.451 -23.952 -4.724 205 HE21 GLN 38 HE21 GLN 38 14.872 -23.669 -2.141 206 HE22 GLN 38 HE22 GLN 38 13.793 -24.340 -0.970 207 H LEU 39 H LEU 39 14.065 -18.619 -3.258 208 HA LEU 39 HA LEU 39 16.899 -18.122 -3.079 209 HB2 LEU 39 HB2 LEU 39 16.541 -17.807 -5.342 210 HB3 LEU 39 HB3 LEU 39 14.893 -17.270 -5.113 211 HG LEU 39 HG LEU 39 15.560 -15.233 -4.373 212 HD11 LEU 39 HD11 LEU 39 17.762 -15.772 -3.269 213 HD12 LEU 39 HD12 LEU 39 18.041 -14.507 -4.468 214 HD13 LEU 39 HD13 LEU 39 18.457 -16.179 -4.840 215 HD21 LEU 39 HD21 LEU 39 16.599 -14.313 -6.407 216 HD22 LEU 39 HD22 LEU 39 15.332 -15.499 -6.728 217 HD23 LEU 39 HD23 LEU 39 17.028 -15.950 -6.879 218 H HIS 40 H HIS 40 17.136 -17.062 -1.283 219 HA HIS 40 HA HIS 40 14.912 -15.784 0.055 220 HB2 HIS 40 HB2 HIS 40 17.756 -16.125 0.886 221 HB3 HIS 40 HB3 HIS 40 16.489 -15.530 1.887 222 HD1 HIS 40 HD1 HIS 40 14.658 -17.222 2.763 223 HD2 HIS 40 HD2 HIS 40 17.749 -18.968 0.591 224 HE1 HIS 40 HE1 HIS 40 14.499 -19.714 3.174 225 H GLU 41 H GLU 41 14.656 -13.674 0.245 226 HA GLU 41 HA GLU 41 16.810 -11.954 -0.650 227 HB2 GLU 41 HB2 GLU 41 15.330 -10.078 -0.371 228 HB3 GLU 41 HB3 GLU 41 14.509 -11.314 -1.303 229 HG2 GLU 41 HG2 GLU 41 13.172 -11.917 0.598 230 HG3 GLU 41 HG3 GLU 41 14.084 -10.808 1.630 231 H GLU 42 H GLU 42 15.563 -13.448 2.055 232 HA GLU 42 HA GLU 42 16.534 -11.696 4.102 233 HB2 GLU 42 HB2 GLU 42 16.211 -14.662 4.519 234 HB3 GLU 42 HB3 GLU 42 15.917 -13.362 5.652 235 HG2 GLU 42 HG2 GLU 42 13.783 -14.127 5.198 236 HG3 GLU 42 HG3 GLU 42 13.931 -12.780 4.070 237 H SER 43 H SER 43 17.731 -14.395 2.307 238 HA SER 43 HA SER 43 20.275 -14.284 3.689 239 HB2 SER 43 HB2 SER 43 19.464 -16.311 1.565 240 HB3 SER 43 HB3 SER 43 20.853 -16.356 2.626 241 HG SER 43 HG SER 43 18.517 -16.061 3.978 242 H ASN 44 H ASN 44 22.137 -14.649 1.919 243 HA ASN 44 HA ASN 44 21.850 -12.091 0.786 244 HB2 ASN 44 HB2 ASN 44 23.836 -12.672 2.181 245 HB3 ASN 44 HB3 ASN 44 24.320 -13.834 0.963 246 HD21 ASN 44 HD21 ASN 44 25.744 -11.580 2.108 247 HD22 ASN 44 HD22 ASN 44 26.202 -10.589 0.772 248 H LEU 45 H LEU 45 22.135 -11.503 -1.388 249 HA LEU 45 HA LEU 45 21.255 -13.503 -3.226 250 HB2 LEU 45 HB2 LEU 45 21.971 -10.615 -3.723 251 HB3 LEU 45 HB3 LEU 45 21.166 -11.674 -4.857 252 HG LEU 45 HG LEU 45 20.040 -10.692 -2.236 253 HD11 LEU 45 HD11 LEU 45 19.304 -10.050 -5.081 254 HD12 LEU 45 HD12 LEU 45 20.136 -8.971 -3.955 255 HD13 LEU 45 HD13 LEU 45 18.470 -9.465 -3.642 256 HD21 LEU 45 HD21 LEU 45 18.787 -12.430 -4.361 257 HD22 LEU 45 HD22 LEU 45 17.947 -11.745 -2.971 258 HD23 LEU 45 HD23 LEU 45 19.222 -12.937 -2.727 259 H ILE 46 H ILE 46 24.283 -12.211 -2.298 260 HA ILE 46 HA ILE 46 25.718 -12.842 -4.726 261 HB ILE 46 HB ILE 46 26.837 -12.413 -1.906 262 HG12 ILE 46 HG12 ILE 46 25.506 -10.479 -2.662 263 HG13 ILE 46 HG11 ILE 46 27.209 -10.093 -2.448 264 HG21 ILE 46 HG21 ILE 46 28.518 -13.400 -3.373 265 HG22 ILE 46 HG22 ILE 46 28.890 -11.687 -3.055 266 HG23 ILE 46 HG23 ILE 46 28.184 -12.152 -4.588 267 HD11 ILE 46 HD11 ILE 46 26.263 -9.006 -4.385 268 HD12 ILE 46 HD12 ILE 46 25.802 -10.575 -5.062 269 HD13 ILE 46 HD13 ILE 46 27.508 -10.155 -4.884 270 H GLN 47 H GLN 47 24.298 -14.616 -2.306 271 HA GLN 47 HA GLN 47 26.081 -16.881 -2.416 272 HB2 GLN 47 HB2 GLN 47 23.460 -16.399 -1.035 273 HB3 GLN 47 HB3 GLN 47 24.279 -17.957 -0.974 274 HG2 GLN 47 HG2 GLN 47 26.166 -16.977 0.144 275 HG3 GLN 47 HG3 GLN 47 25.507 -15.361 -0.063 276 HE21 GLN 47 HE21 GLN 47 26.292 -16.844 2.340 277 HE22 GLN 47 HE22 GLN 47 24.890 -16.855 3.357 278 H ALA 48 H ALA 48 23.766 -15.536 -4.272 279 HA ALA 48 HA ALA 48 23.018 -18.029 -5.610 280 HB1 ALA 48 HB1 ALA 48 21.059 -16.742 -4.839 281 HB2 ALA 48 HB2 ALA 48 21.160 -16.699 -6.600 282 HB3 ALA 48 HB3 ALA 48 21.676 -15.304 -5.652 283 H GLY 49 H GLY 49 22.593 -17.132 -8.175 284 HA2 GLY 49 HA2 GLY 49 25.312 -16.483 -8.911 285 HA3 GLY 49 HA3 GLY 49 23.984 -16.822 -10.016 286 H LEU 50 H LEU 50 25.528 -14.358 -8.068 287 HA LEU 50 HA LEU 50 24.356 -12.349 -9.769 288 HB2 LEU 50 HB2 LEU 50 23.148 -12.456 -7.631 289 HB3 LEU 50 HB3 LEU 50 24.660 -12.325 -6.758 290 HG LEU 50 HG LEU 50 24.991 -10.129 -7.691 291 HD11 LEU 50 HD11 LEU 50 22.190 -10.515 -8.779 292 HD12 LEU 50 HD12 LEU 50 23.664 -10.339 -9.732 293 HD13 LEU 50 HD13 LEU 50 23.061 -8.982 -8.782 294 HD21 LEU 50 HD21 LEU 50 23.323 -8.962 -6.333 295 HD22 LEU 50 HD22 LEU 50 23.903 -10.405 -5.490 296 HD23 LEU 50 HD23 LEU 50 22.341 -10.417 -6.294 297 H ASP 51 H ASP 51 25.861 -10.767 -10.292 298 HA ASP 51 HA ASP 51 28.594 -11.369 -9.500 299 HB2 ASP 51 HB2 ASP 51 29.217 -10.532 -11.780 300 HB3 ASP 51 HB3 ASP 51 28.208 -11.960 -11.819 301 H 4HJ 52 H 4HJ 52 28.967 -8.850 -11.294 302 HA 4HJ 52 HA 4HJ 52 28.813 -6.831 -9.173 303 HAA 4HJ 52 HAA 4HJ 52 30.241 -10.589 -8.423 304 HB3 4HJ 52 HB3 4HJ 52 30.297 -5.651 -10.576 305 HB2 4HJ 52 HB2 4HJ 52 31.132 -7.070 -9.994 306 HZ1 4HJ 52 HZ1 4HJ 52 29.725 -11.279 -6.225 307 HZ2 4HJ 52 HZ2 4HJ 52 31.369 -8.512 -8.870 308 HZ 4HJ 52 HZ 4HJ 52 30.730 -9.270 -3.352 309 HJ2 4HJ 52 HJ2 4HJ 52 32.068 -3.250 -12.321 310 HJ3 4HJ 52 HJ3 4HJ 52 30.877 -3.837 -11.165 311 HL12 4HJ 52 HL12 4HJ 52 33.091 -5.355 -9.706 312 HL11 4HJ 52 HL11 4HJ 52 31.817 -4.550 -8.844 313 HL13 4HJ 52 HL13 4HJ 52 33.452 -4.161 -8.393 314 HL22 4HJ 52 HL22 4HJ 52 31.735 -1.417 -10.504 315 HL21 4HJ 52 HL21 4HJ 52 32.582 -1.589 -8.924 316 HL23 4HJ 52 HL23 4HJ 52 31.108 -2.445 -9.256 317 HM 4HJ 52 HM 4HJ 52 34.911 -1.360 -11.588 318 HN 4HJ 52 HN 4HJ 52 35.840 -3.936 -8.582 319 HL3 4HJ 52 HL3 4HJ 52 34.577 -3.572 -11.630 320 HO2 4HJ 52 HO2 4HJ 52 35.567 -1.489 -7.269 321 HO3 4HJ 52 HO3 4HJ 52 33.908 -2.088 -7.559 322 HP2 4HJ 52 HP2 4HJ 52 34.397 -4.120 -6.322 323 HP3 4HJ 52 HP3 4HJ 52 36.066 -3.629 -6.185 324 HS2 4HJ 52 HS2 4HJ 52 32.508 -2.803 -2.967 325 HS3 4HJ 52 HS3 4HJ 52 32.336 -3.269 -4.683 326 HT3 4HJ 52 HT3 4HJ 52 31.388 -4.921 -3.224 327 HT2 4HJ 52 HT2 4HJ 52 32.997 -5.329 -2.635 328 HY2 4HJ 52 HY2 4HJ 52 32.148 -7.045 -7.024 329 HR 4HJ 52 HR 4HJ 52 34.884 -3.821 -3.384 330 H ILE 53 H ILE 53 28.905 -6.877 -12.527 331 HA ILE 53 HA ILE 53 27.612 -4.694 -13.261 332 HB ILE 53 HB ILE 53 28.706 -6.689 -14.591 333 HG12 ILE 53 HG12 ILE 53 28.411 -4.453 -15.394 334 HG13 ILE 53 HG11 ILE 53 28.143 -5.648 -16.660 335 HG21 ILE 53 HG21 ILE 53 26.923 -8.283 -14.432 336 HG22 ILE 53 HG22 ILE 53 27.161 -7.816 -16.117 337 HG23 ILE 53 HG23 ILE 53 25.805 -7.157 -15.202 338 HD11 ILE 53 HD11 ILE 53 25.991 -4.091 -15.192 339 HD12 ILE 53 HD12 ILE 53 25.703 -5.284 -16.449 340 HD13 ILE 53 HD13 ILE 53 26.539 -3.778 -16.841 341 H ARG 54 H ARG 54 25.738 -7.677 -12.383 342 HA ARG 54 HA ARG 54 23.176 -6.615 -13.064 343 HB2 ARG 54 HB2 ARG 54 24.065 -8.677 -11.086 344 HB3 ARG 54 HB3 ARG 54 22.436 -8.043 -10.971 345 HG2 ARG 54 HG2 ARG 54 22.386 -10.111 -12.191 346 HG3 ARG 54 HG3 ARG 54 22.023 -8.797 -13.301 347 HD2 ARG 54 HD2 ARG 54 24.349 -8.873 -14.103 348 HD3 ARG 54 HD3 ARG 54 24.662 -10.206 -12.990 349 HE ARG 54 HE ARG 54 22.468 -10.887 -14.560 350 HH11 ARG 54 HH11 ARG 54 26.025 -10.650 -14.768 351 HH12 ARG 54 HH12 ARG 54 26.143 -11.513 -16.204 352 HH21 ARG 54 HH21 ARG 54 22.619 -12.065 -16.476 353 HH22 ARG 54 HH22 ARG 54 24.109 -12.402 -17.255 354 H LEU 55 H LEU 55 25.219 -6.176 -10.243 355 HA LEU 55 HA LEU 55 23.399 -4.698 -8.632 356 HB2 LEU 55 HB2 LEU 55 26.403 -4.754 -8.823 357 HB3 LEU 55 HB3 LEU 55 25.613 -3.572 -7.822 358 HG LEU 55 HG LEU 55 26.509 -5.435 -6.551 359 HD11 LEU 55 HD11 LEU 55 24.574 -5.968 -5.232 360 HD12 LEU 55 HD12 LEU 55 23.526 -5.307 -6.493 361 HD13 LEU 55 HD13 LEU 55 24.674 -4.261 -5.645 362 HD21 LEU 55 HD21 LEU 55 25.466 -7.647 -6.642 363 HD22 LEU 55 HD22 LEU 55 26.331 -7.233 -8.111 364 HD23 LEU 55 HD23 LEU 55 24.562 -7.152 -8.079 365 H MET 56 H MET 56 25.859 -3.719 -10.964 366 HA MET 56 HA MET 56 25.523 -0.943 -10.785 367 HB2 MET 56 HB2 MET 56 26.522 -2.652 -13.061 368 HB3 MET 56 HB3 MET 56 26.459 -0.905 -13.159 369 HG2 MET 56 HG2 MET 56 28.714 -1.759 -12.644 370 HG3 MET 56 HG3 MET 56 28.094 -0.686 -11.403 371 HE1 MET 56 HE1 MET 56 28.469 -1.246 -8.935 372 HE2 MET 56 HE2 MET 56 27.926 -2.785 -8.252 373 HE3 MET 56 HE3 MET 56 26.810 -1.789 -9.166 374 H ARG 57 H ARG 57 23.824 -3.302 -12.667 375 HA ARG 57 HA ARG 57 22.211 -1.600 -14.222 376 HB2 ARG 57 HB2 ARG 57 22.240 -4.410 -13.450 377 HB3 ARG 57 HB3 ARG 57 20.628 -3.769 -13.733 378 HG2 ARG 57 HG2 ARG 57 22.736 -3.181 -15.732 379 HG3 ARG 57 HG3 ARG 57 22.073 -4.810 -15.666 380 HD2 ARG 57 HD2 ARG 57 20.858 -3.421 -17.277 381 HD3 ARG 57 HD3 ARG 57 19.822 -3.931 -15.948 382 HE ARG 57 HE ARG 57 20.976 -1.233 -16.243 383 HH11 ARG 57 HH11 ARG 57 18.361 -3.332 -15.083 384 HH12 ARG 57 HH12 ARG 57 17.301 -2.062 -14.689 385 HH21 ARG 57 HH21 ARG 57 19.533 0.513 -15.726 386 HH22 ARG 57 HH22 ARG 57 17.987 0.224 -15.085 387 H TRP 58 H TRP 58 21.619 -3.153 -11.114 388 HA TRP 58 HA TRP 58 19.054 -2.005 -10.613 389 HB2 TRP 58 HB2 TRP 58 20.999 -3.085 -8.579 390 HB3 TRP 58 HB3 TRP 58 19.249 -2.833 -8.417 391 HD1 TRP 58 HD1 TRP 58 21.266 -5.588 -8.682 392 HE1 TRP 58 HE1 TRP 58 20.290 -7.499 -10.148 393 HE3 TRP 58 HE3 TRP 58 17.543 -2.998 -11.113 394 HZ2 TRP 58 HZ2 TRP 58 18.273 -7.811 -12.066 395 HZ3 TRP 58 HZ3 TRP 58 16.154 -4.176 -12.721 396 HH2 TRP 58 HH2 TRP 58 16.491 -6.541 -13.188 397 H LEU 59 H LEU 59 22.241 -1.009 -9.732 398 HA LEU 59 HA LEU 59 21.929 1.064 -8.000 399 HB2 LEU 59 HB2 LEU 59 23.801 0.439 -10.143 400 HB3 LEU 59 HB3 LEU 59 23.712 2.141 -9.766 401 HG LEU 59 HG LEU 59 25.525 0.953 -8.611 402 HD11 LEU 59 HD11 LEU 59 24.596 3.002 -7.735 403 HD12 LEU 59 HD12 LEU 59 25.072 1.955 -6.394 404 HD13 LEU 59 HD13 LEU 59 23.369 2.110 -6.855 405 HD21 LEU 59 HD21 LEU 59 23.287 -0.384 -7.119 406 HD22 LEU 59 HD22 LEU 59 25.028 -0.603 -6.822 407 HD23 LEU 59 HD23 LEU 59 24.285 -1.167 -8.321 408 H HIS 60 H HIS 60 21.907 1.507 -11.498 409 HA HIS 60 HA HIS 60 21.039 4.193 -11.067 410 HB2 HIS 60 HB2 HIS 60 21.411 4.590 -13.446 411 HB3 HIS 60 HB3 HIS 60 22.760 3.755 -12.682 412 HD1 HIS 60 HD1 HIS 60 23.422 1.437 -13.656 413 HD2 HIS 60 HD2 HIS 60 19.946 3.013 -15.309 414 HE1 HIS 60 HE1 HIS 60 22.935 0.060 -15.680 415 H TRP 61 H TRP 61 19.575 1.292 -11.520 416 HA TRP 61 HA TRP 61 17.339 2.006 -13.070 417 HB2 TRP 61 HB2 TRP 61 18.274 -0.267 -12.734 418 HB3 TRP 61 HB3 TRP 61 17.668 -0.225 -11.096 419 HD1 TRP 61 HD1 TRP 61 16.227 0.130 -14.666 420 HE1 TRP 61 HE1 TRP 61 13.890 -0.960 -14.674 421 HE3 TRP 61 HE3 TRP 61 15.948 -1.106 -9.767 422 HZ2 TRP 61 HZ2 TRP 61 12.178 -2.180 -12.821 423 HZ3 TRP 61 HZ3 TRP 61 13.938 -2.232 -8.947 424 HH2 TRP 61 HH2 TRP 61 12.106 -2.749 -10.424 425 H PHE 62 H PHE 62 17.683 1.551 -9.530 426 HA PHE 62 HA PHE 62 15.202 3.036 -9.173 427 HB2 PHE 62 HB2 PHE 62 16.360 2.909 -6.633 428 HB3 PHE 62 HB3 PHE 62 15.011 1.947 -7.228 429 HD1 PHE 62 HD2 PHE 62 18.493 2.163 -6.602 430 HD2 PHE 62 HD1 PHE 62 15.326 -0.312 -7.778 431 HE1 PHE 62 HE2 PHE 62 19.950 0.120 -6.260 432 HE2 PHE 62 HE1 PHE 62 16.686 -2.310 -7.470 433 HZ PHE 62 HZ PHE 62 19.006 -2.103 -6.755 434 H ARG 63 H ARG 63 18.478 3.752 -9.332 435 HA ARG 63 HA ARG 63 18.644 6.113 -7.925 436 HB2 ARG 63 HB2 ARG 63 20.484 4.939 -9.194 437 HB3 ARG 63 HB3 ARG 63 19.850 5.719 -10.640 438 HG2 ARG 63 HG2 ARG 63 21.770 6.919 -9.804 439 HG3 ARG 63 HG3 ARG 63 20.314 7.909 -9.643 440 HD2 ARG 63 HD2 ARG 63 20.167 7.471 -7.321 441 HD3 ARG 63 HD3 ARG 63 21.370 6.195 -7.418 442 HE ARG 63 HE ARG 63 22.049 8.988 -7.991 443 HH11 ARG 63 HH11 ARG 63 22.504 6.050 -6.106 444 HH12 ARG 63 HH12 ARG 63 23.984 6.490 -5.404 445 HH21 ARG 63 HH21 ARG 63 24.121 9.695 -6.970 446 HH22 ARG 63 HH22 ARG 63 24.901 8.640 -5.887 447 H LYS 64 H LYS 64 17.078 5.461 -11.014 448 HA LYS 64 HA LYS 64 16.644 8.165 -11.735 449 HB2 LYS 64 HB2 LYS 64 15.063 7.348 -13.425 450 HB3 LYS 64 HB3 LYS 64 16.561 6.449 -13.459 451 HG2 LYS 64 HG2 LYS 64 14.929 4.833 -13.788 452 HG3 LYS 64 HG3 LYS 64 15.306 4.708 -12.067 453 HD2 LYS 64 HD2 LYS 64 13.427 6.080 -11.541 454 HD3 LYS 64 HD3 LYS 64 13.011 6.251 -13.234 455 HE2 LYS 64 HE2 LYS 64 11.518 4.533 -12.369 456 HE3 LYS 64 HE3 LYS 64 12.723 3.711 -13.349 457 HZ1 LYS 64 HZ1 LYS 64 12.315 2.517 -11.221 458 HZ2 LYS 64 HZ2 LYS 64 12.666 3.903 -10.395 459 HZ3 LYS 64 HZ3 LYS 64 13.901 3.118 -11.259 460 H ASN 65 H ASN 65 15.389 6.518 -9.210 461 HA ASN 65 HA ASN 65 13.008 8.232 -9.023 462 HB2 ASN 65 HB2 ASN 65 13.934 5.985 -7.224 463 HB3 ASN 65 HB3 ASN 65 12.418 6.851 -7.097 464 HD21 ASN 65 HD21 ASN 65 12.934 4.035 -7.355 465 HD22 ASN 65 HD22 ASN 65 11.979 3.502 -8.674 466 H GLY 66 H GLY 66 16.189 8.422 -8.406 467 HA2 GLY 66 HA2 GLY 66 17.403 9.905 -7.135 468 HA3 GLY 66 HA3 GLY 66 15.906 10.423 -6.377 469 H TYR 67 H TYR 67 17.177 7.060 -6.401 470 HA TYR 67 HA TYR 67 17.089 7.277 -3.545 471 HB2 TYR 67 HB2 TYR 67 17.135 4.839 -5.321 472 HB3 TYR 67 HB3 TYR 67 17.225 4.757 -3.560 473 HD1 TYR 67 HD2 TYR 67 15.328 6.875 -2.758 474 HD2 TYR 67 HD1 TYR 67 14.950 3.959 -5.851 475 HE1 TYR 67 HE2 TYR 67 12.923 7.037 -2.591 476 HE2 TYR 67 HE1 TYR 67 12.496 4.124 -5.646 477 HH TYR 67 HH TYR 67 10.886 4.836 -3.697 478 H ARG 68 H ARG 68 18.647 7.191 -2.131 479 HA ARG 68 HA ARG 68 21.219 7.914 -2.702 480 HB2 ARG 68 HB2 ARG 68 19.802 8.147 -0.612 481 HB3 ARG 68 HB3 ARG 68 20.190 6.448 -0.335 482 HG2 ARG 68 HG2 ARG 68 22.587 7.175 -0.635 483 HG3 ARG 68 HG3 ARG 68 21.934 8.802 -0.340 484 HD2 ARG 68 HD2 ARG 68 22.666 7.958 1.810 485 HD3 ARG 68 HD3 ARG 68 20.904 7.890 1.782 486 HE ARG 68 HE ARG 68 22.637 5.534 1.302 487 HH11 ARG 68 HH11 ARG 68 19.586 6.850 2.744 488 HH12 ARG 68 HH12 ARG 68 19.217 5.329 3.400 489 HH21 ARG 68 HH21 ARG 68 22.059 3.640 2.277 490 HH22 ARG 68 HH22 ARG 68 20.581 3.528 3.195 491 H LEU 69 H LEU 69 22.749 6.537 -3.564 492 HA LEU 69 HA LEU 69 23.128 3.959 -2.278 493 HB2 LEU 69 HB2 LEU 69 22.944 4.169 -5.255 494 HB3 LEU 69 HB3 LEU 69 23.415 2.791 -4.295 495 HG LEU 69 HG LEU 69 20.638 3.966 -4.217 496 HD11 LEU 69 HD11 LEU 69 21.097 3.166 -6.439 497 HD12 LEU 69 HD12 LEU 69 20.031 2.057 -5.553 498 HD13 LEU 69 HD13 LEU 69 21.720 1.647 -5.772 499 HD21 LEU 69 HD21 LEU 69 21.212 2.692 -2.259 500 HD22 LEU 69 HD22 LEU 69 21.786 1.349 -3.258 501 HD23 LEU 69 HD23 LEU 69 20.078 1.776 -3.251 502 H THR 70 H THR 70 25.057 3.725 -1.941 503 HA THR 70 HA THR 70 27.072 4.662 -3.837 504 HB THR 70 HB THR 70 27.579 3.584 -1.081 505 HG1 THR 70 HG1 THR 70 26.136 5.253 -0.713 506 HG21 THR 70 HG21 THR 70 29.018 5.635 -2.772 507 HG22 THR 70 HG22 THR 70 29.483 3.945 -2.567 508 HG23 THR 70 HG23 THR 70 29.558 5.053 -1.196 509 H LEU 71 H LEU 71 28.426 2.964 -4.517 510 HA LEU 71 HA LEU 71 27.055 0.633 -5.165 511 HB2 LEU 71 HB2 LEU 71 30.065 0.901 -5.143 512 HB3 LEU 71 HB3 LEU 71 29.098 -0.354 -5.901 513 HG LEU 71 HG LEU 71 29.920 1.130 -7.607 514 HD11 LEU 71 HD11 LEU 71 27.013 1.628 -7.165 515 HD12 LEU 71 HD12 LEU 71 27.708 0.187 -7.878 516 HD13 LEU 71 HD13 LEU 71 27.873 1.742 -8.704 517 HD21 LEU 71 HD21 LEU 71 30.254 3.160 -6.259 518 HD22 LEU 71 HD22 LEU 71 28.492 3.362 -6.189 519 HD23 LEU 71 HD23 LEU 71 29.334 3.480 -7.736 520 H ARG 72 H ARG 72 29.238 1.251 -2.584 521 HA ARG 72 HA ARG 72 29.683 -1.429 -1.803 522 HB2 ARG 72 HB2 ARG 72 31.294 0.309 -1.275 523 HB3 ARG 72 HB3 ARG 72 30.108 1.162 -0.306 524 HG2 ARG 72 HG2 ARG 72 31.715 -0.016 1.084 525 HG3 ARG 72 HG3 ARG 72 30.078 -0.652 1.293 526 HD2 ARG 72 HD2 ARG 72 30.628 -2.509 -0.241 527 HD3 ARG 72 HD3 ARG 72 32.270 -1.893 -0.386 528 HE ARG 72 HE ARG 72 32.424 -2.275 2.067 529 HH11 ARG 72 HH11 ARG 72 30.147 -4.170 0.136 530 HH12 ARG 72 HH12 ARG 72 30.178 -5.559 1.079 531 HH21 ARG 72 HH21 ARG 72 32.523 -4.238 3.457 532 HH22 ARG 72 HH22 ARG 72 31.593 -5.595 3.046 533 H GLU 73 H GLU 73 26.963 0.730 -1.185 534 HA GLU 73 HA GLU 73 26.214 -0.433 1.303 535 HB2 GLU 73 HB2 GLU 73 24.604 1.098 -0.762 536 HB3 GLU 73 HB3 GLU 73 24.009 0.658 0.831 537 HG2 GLU 73 HG2 GLU 73 25.709 2.038 1.875 538 HG3 GLU 73 HG3 GLU 73 26.383 2.405 0.288 539 H LEU 74 H LEU 74 25.495 -1.000 -2.031 540 HA LEU 74 HA LEU 74 23.465 -2.954 -1.516 541 HB2 LEU 74 HB2 LEU 74 24.887 -2.484 -4.139 542 HB3 LEU 74 HB3 LEU 74 23.350 -3.284 -3.900 543 HG LEU 74 HG LEU 74 22.849 -0.900 -2.776 544 HD11 LEU 74 HD11 LEU 74 23.692 0.824 -4.390 545 HD12 LEU 74 HD12 LEU 74 24.930 -0.352 -4.864 546 HD13 LEU 74 HD13 LEU 74 24.827 0.199 -3.215 547 HD21 LEU 74 HD21 LEU 74 22.498 -1.634 -5.681 548 HD22 LEU 74 HD22 LEU 74 21.664 -0.323 -4.821 549 HD23 LEU 74 HD23 LEU 74 21.403 -1.988 -4.334 550 H TYR 75 H TYR 75 26.839 -2.999 -2.012 551 HA TYR 75 HA TYR 75 27.033 -5.916 -2.271 552 HB2 TYR 75 HB2 TYR 75 29.010 -3.688 -2.076 553 HB3 TYR 75 HB3 TYR 75 29.525 -5.350 -1.952 554 HD1 TYR 75 HD2 TYR 75 28.591 -6.855 -3.894 555 HD2 TYR 75 HD1 TYR 75 29.085 -2.686 -4.049 556 HE1 TYR 75 HE2 TYR 75 28.761 -6.980 -6.409 557 HE2 TYR 75 HE1 TYR 75 29.242 -2.755 -6.510 558 HH TYR 75 HH TYR 75 28.385 -5.479 -8.283 559 H ALA 76 H ALA 76 26.520 -3.778 0.237 560 HA ALA 76 HA ALA 76 28.192 -5.245 2.000 561 HB1 ALA 76 HB1 ALA 76 27.407 -3.704 3.793 562 HB2 ALA 76 HB2 ALA 76 26.293 -2.974 2.639 563 HB3 ALA 76 HB3 ALA 76 28.032 -2.839 2.389 564 H ALA 77 H ALA 77 24.764 -4.481 1.622 565 HA ALA 77 HA ALA 77 24.175 -7.110 2.735 566 HB1 ALA 77 HB1 ALA 77 22.101 -6.228 3.699 567 HB2 ALA 77 HB2 ALA 77 22.511 -4.614 3.119 568 HB3 ALA 77 HB3 ALA 77 23.504 -5.384 4.358 569 HA PRO 78 HA PRO 78 22.481 -6.762 -1.511 570 HB2 PRO 78 HB2 PRO 78 23.628 -9.395 -1.968 571 HB3 PRO 78 HB3 PRO 78 24.033 -7.871 -2.788 572 HG2 PRO 78 HG2 PRO 78 25.780 -9.098 -1.146 573 HG3 PRO 78 HG3 PRO 78 25.697 -7.332 -1.323 574 HD2 PRO 78 HD2 PRO 78 24.533 -9.052 0.825 575 HD3 PRO 78 HD3 PRO 78 25.449 -7.532 0.962 576 H THR 79 H THR 79 20.538 -6.948 -0.498 577 HA THR 79 HA THR 79 19.237 -9.526 -0.614 578 HB THR 79 HB THR 79 18.142 -8.971 1.613 579 HG1 THR 79 HG1 THR 79 20.252 -7.087 1.702 580 HG21 THR 79 HG21 THR 79 19.916 -10.682 1.577 581 HG22 THR 79 HG22 THR 79 19.984 -9.748 3.073 582 HG23 THR 79 HG23 THR 79 21.136 -9.423 1.777 583 H LEU 80 H LEU 80 17.019 -9.093 -1.204 584 HA LEU 80 HA LEU 80 16.535 -6.590 -2.448 585 HB2 LEU 80 HB2 LEU 80 14.449 -8.558 -1.546 586 HB3 LEU 80 HB3 LEU 80 14.310 -7.251 -2.708 587 HG LEU 80 HG LEU 80 16.098 -9.600 -3.104 588 HD11 LEU 80 HD11 LEU 80 13.741 -10.265 -2.989 589 HD12 LEU 80 HD12 LEU 80 14.307 -10.320 -4.677 590 HD13 LEU 80 HD13 LEU 80 13.360 -8.943 -4.091 591 HD21 LEU 80 HD21 LEU 80 16.042 -8.873 -5.440 592 HD22 LEU 80 HD22 LEU 80 16.685 -7.585 -4.404 593 HD23 LEU 80 HD23 LEU 80 15.011 -7.526 -4.986 594 H ALA 81 H ALA 81 15.598 -7.975 0.579 595 HA ALA 81 HA ALA 81 13.914 -6.118 1.654 596 HB1 ALA 81 HB1 ALA 81 16.097 -7.564 3.151 597 HB2 ALA 81 HB2 ALA 81 14.515 -8.230 2.745 598 HB3 ALA 81 HB3 ALA 81 14.638 -6.864 3.854 599 H ALA 82 H ALA 82 17.492 -6.021 1.968 600 HA ALA 82 HA ALA 82 17.467 -3.525 3.309 601 HB1 ALA 82 HB1 ALA 82 19.873 -3.463 2.931 602 HB2 ALA 82 HB2 ALA 82 19.736 -4.780 1.767 603 HB3 ALA 82 HB3 ALA 82 19.373 -5.067 3.469 604 H TRP 83 H TRP 83 17.756 -4.442 -0.065 605 HA TRP 83 HA TRP 83 18.393 -1.860 -1.009 606 HB2 TRP 83 HB2 TRP 83 17.116 -4.192 -2.427 607 HB3 TRP 83 HB3 TRP 83 17.670 -2.765 -3.267 608 HD1 TRP 83 HD1 TRP 83 20.183 -3.573 -0.655 609 HE1 TRP 83 HE1 TRP 83 22.122 -4.943 -1.631 610 HE3 TRP 83 HE3 TRP 83 18.122 -4.711 -5.147 611 HZ2 TRP 83 HZ2 TRP 83 22.689 -6.344 -4.024 612 HZ3 TRP 83 HZ3 TRP 83 19.418 -6.086 -6.749 613 HH2 TRP 83 HH2 TRP 83 21.657 -6.872 -6.192 614 H ASN 84 H ASN 84 15.415 -3.525 -0.405 615 HA ASN 84 HA ASN 84 13.644 -1.620 -1.463 616 HB2 ASN 84 HB2 ASN 84 12.932 -3.902 -0.918 617 HB3 ASN 84 HB3 ASN 84 13.279 -3.623 0.782 618 HD21 ASN 84 HD21 ASN 84 11.797 -2.470 2.040 619 HD22 ASN 84 HD22 ASN 84 10.253 -2.045 1.417 620 H GLN 85 H GLN 85 15.159 -1.968 1.713 621 HA GLN 85 HA GLN 85 13.770 0.206 2.877 622 HB2 GLN 85 HB2 GLN 85 16.444 -0.966 3.646 623 HB3 GLN 85 HB3 GLN 85 15.532 0.181 4.615 624 HG2 GLN 85 HG2 GLN 85 14.774 -2.642 3.921 625 HG3 GLN 85 HG3 GLN 85 15.161 -1.987 5.511 626 HE21 GLN 85 HE21 GLN 85 13.682 -0.548 6.471 627 HE22 GLN 85 HE22 GLN 85 12.015 -0.558 6.053 628 H LEU 86 H LEU 86 16.839 -0.038 1.179 629 HA LEU 86 HA LEU 86 17.854 2.502 1.399 630 HB2 LEU 86 HB2 LEU 86 17.804 0.766 -1.061 631 HB3 LEU 86 HB3 LEU 86 18.831 2.169 -0.857 632 HG LEU 86 HG LEU 86 18.938 -0.273 0.895 633 HD11 LEU 86 HD11 LEU 86 20.862 0.615 -1.227 634 HD12 LEU 86 HD12 LEU 86 19.618 -0.560 -1.555 635 HD13 LEU 86 HD13 LEU 86 20.895 -0.928 -0.365 636 HD21 LEU 86 HD21 LEU 86 19.765 1.746 1.975 637 HD22 LEU 86 HD22 LEU 86 20.804 2.040 0.566 638 HD23 LEU 86 HD23 LEU 86 21.086 0.634 1.582 639 H MET 87 H MET 87 15.305 1.265 -0.645 640 HA MET 87 HA MET 87 14.860 3.738 -2.023 641 HB2 MET 87 HB2 MET 87 13.270 1.190 -2.031 642 HB3 MET 87 HB3 MET 87 12.940 2.578 -3.060 643 HG2 MET 87 HG2 MET 87 15.254 2.318 -3.990 644 HG3 MET 87 HG3 MET 87 15.371 0.806 -3.096 645 HE1 MET 87 HE1 MET 87 12.335 -0.149 -3.337 646 HE2 MET 87 HE2 MET 87 13.714 -1.241 -3.524 647 HE3 MET 87 HE3 MET 87 12.423 -1.234 -4.734 648 H LEU 88 H LEU 88 13.060 1.777 0.323 649 HA LEU 88 HA LEU 88 10.800 3.317 0.478 650 HB2 LEU 88 HB2 LEU 88 12.004 1.287 2.174 651 HB3 LEU 88 HB3 LEU 88 10.871 2.353 2.965 652 HG LEU 88 HG LEU 88 10.330 0.510 0.644 653 HD11 LEU 88 HD11 LEU 88 10.444 -0.514 2.843 654 HD12 LEU 88 HD12 LEU 88 8.765 -0.468 2.271 655 HD13 LEU 88 HD13 LEU 88 9.339 0.709 3.465 656 HD21 LEU 88 HD21 LEU 88 9.049 2.442 0.181 657 HD22 LEU 88 HD22 LEU 88 8.739 2.708 1.882 658 HD23 LEU 88 HD23 LEU 88 7.939 1.360 1.045 659 H SER 89 H SER 89 13.549 3.370 2.724 660 HA SER 89 HA SER 89 12.102 5.379 4.063 661 HB2 SER 89 HB2 SER 89 14.563 3.891 4.890 662 HB3 SER 89 HB3 SER 89 13.665 5.006 5.931 663 HG SER 89 HG SER 89 13.094 2.716 6.119 664 H ARG 90 H ARG 90 15.305 4.940 2.548 665 HA ARG 90 HA ARG 90 16.684 6.283 1.544 666 HB2 ARG 90 HB2 ARG 90 14.289 7.967 1.512 667 HB3 ARG 90 HB3 ARG 90 15.823 8.740 1.106 668 HG2 ARG 90 HG2 ARG 90 14.942 6.171 -0.070 669 HG3 ARG 90 HG3 ARG 90 14.548 7.746 -0.794 670 HD2 ARG 90 HD2 ARG 90 17.378 7.143 -0.037 671 HD3 ARG 90 HD3 ARG 90 16.759 6.467 -1.532 672 HE ARG 90 HE ARG 90 16.500 8.634 -2.378 673 HH11 ARG 90 HH11 ARG 90 17.952 8.811 0.906 674 HH12 ARG 90 HH12 ARG 90 18.570 10.359 0.676 675 HH21 ARG 90 HH21 ARG 90 17.391 10.674 -2.689 676 HH22 ARG 90 HH22 ARG 90 18.258 11.497 -1.471 677 H SER 91 H SER 91 15.545 7.625 4.404 678 HA SER 91 HA SER 91 18.109 9.016 4.629 679 HB2 SER 91 HB2 SER 91 15.559 9.730 6.086 680 HB3 SER 91 HB3 SER 91 17.089 10.606 6.183 681 HG SER 91 HG SER 91 15.524 11.449 4.639 682 HA PRO 92 HA PRO 92 18.027 6.935 8.893 683 HB2 PRO 92 HB2 PRO 92 16.057 5.309 9.709 684 HB3 PRO 92 HB3 PRO 92 15.880 7.074 9.820 685 HG2 PRO 92 HG2 PRO 92 14.744 5.210 7.811 686 HG3 PRO 92 HG3 PRO 92 13.999 6.617 8.594 687 HD2 PRO 92 HD2 PRO 92 15.076 6.673 6.065 688 HD3 PRO 92 HD3 PRO 92 14.895 8.089 7.117 689 H GLU 93 H GLU 93 17.177 5.279 6.038 690 HA GLU 93 HA GLU 93 18.818 3.007 6.660 691 HB2 GLU 93 HB2 GLU 93 16.025 2.819 5.457 692 HB3 GLU 93 HB3 GLU 93 17.152 1.498 5.648 693 HG2 GLU 93 HG2 GLU 93 16.940 1.549 8.030 694 HG3 GLU 93 HG3 GLU 93 15.991 3.032 7.961 Start of MODEL 10 1 H ASP 14 HT1 ASP 14 9.477 7.939 3.616 2 HA ASP 14 HA ASP 14 8.004 6.597 2.199 3 HB2 ASP 14 HB2 ASP 14 7.182 8.650 3.361 4 HB3 ASP 14 HB3 ASP 14 7.651 9.607 1.961 5 H ASN 15 H ASN 15 7.112 6.345 0.034 6 HA ASN 15 HA ASN 15 8.251 7.611 -2.238 7 HB2 ASN 15 HB2 ASN 15 10.322 6.506 -1.604 8 HB3 ASN 15 HB3 ASN 15 9.492 4.974 -1.412 9 HD21 ASN 15 HD21 ASN 15 11.001 4.070 -2.781 10 HD22 ASN 15 HD22 ASN 15 10.956 4.221 -4.485 11 H ARG 16 H ARG 16 7.035 7.225 -3.949 12 HA ARG 16 HA ARG 16 4.783 5.386 -3.695 13 HB2 ARG 16 HB2 ARG 16 5.407 7.369 -5.890 14 HB3 ARG 16 HB3 ARG 16 3.901 6.485 -5.696 15 HG2 ARG 16 HG2 ARG 16 5.010 8.458 -3.725 16 HG3 ARG 16 HG3 ARG 16 3.771 8.824 -4.930 17 HD2 ARG 16 HD2 ARG 16 2.217 7.354 -3.884 18 HD3 ARG 16 HD3 ARG 16 3.460 6.661 -2.842 19 HE ARG 16 HE ARG 16 2.280 9.323 -2.619 20 HH11 ARG 16 HH11 ARG 16 4.083 6.612 -1.176 21 HH12 ARG 16 HH12 ARG 16 4.469 7.454 0.241 22 HH21 ARG 16 HH21 ARG 16 2.808 10.459 -0.501 23 HH22 ARG 16 HH22 ARG 16 3.805 9.578 0.577 24 H HIS 17 H HIS 17 7.879 5.300 -5.135 25 HA HIS 17 HA HIS 17 7.075 3.886 -7.441 26 HB2 HIS 17 HB2 HIS 17 9.051 5.505 -7.369 27 HB3 HIS 17 HB3 HIS 17 9.932 4.230 -6.532 28 HD1 HIS 17 HD1 HIS 17 11.493 3.033 -8.292 29 HD2 HIS 17 HD2 HIS 17 7.746 4.012 -9.829 30 HE1 HIS 17 HE1 HIS 17 11.535 2.419 -10.678 31 H ALA 18 H ALA 18 7.531 3.007 -4.292 32 HA ALA 18 HA ALA 18 9.224 0.823 -4.080 33 HB1 ALA 18 HB1 ALA 18 8.030 1.928 -2.223 34 HB2 ALA 18 HB2 ALA 18 8.045 0.167 -2.135 35 HB3 ALA 18 HB3 ALA 18 6.587 1.011 -2.661 36 H ALA 19 H ALA 19 6.272 0.635 -5.879 37 HA ALA 19 HA ALA 19 6.009 -2.184 -6.006 38 HB1 ALA 19 HB1 ALA 19 5.551 -0.115 -8.180 39 HB2 ALA 19 HB2 ALA 19 4.350 -0.644 -7.002 40 HB3 ALA 19 HB3 ALA 19 4.955 -1.775 -8.213 41 H ASP 20 H ASP 20 8.309 0.045 -7.144 42 HA ASP 20 HA ASP 20 9.927 -0.795 -9.072 43 HB2 ASP 20 HB2 ASP 20 10.153 1.099 -7.534 44 HB3 ASP 20 HB3 ASP 20 10.642 0.026 -6.241 45 H TYR 21 H TYR 21 9.881 -1.933 -5.717 46 HA TYR 21 HA TYR 21 11.946 -3.876 -5.624 47 HB2 TYR 21 HB2 TYR 21 10.881 -2.892 -3.637 48 HB3 TYR 21 HB3 TYR 21 9.379 -3.714 -4.036 49 HD1 TYR 21 HD1 TYR 21 12.933 -4.352 -3.271 50 HD2 TYR 21 HD2 TYR 21 8.968 -5.858 -3.157 51 HE1 TYR 21 HE1 TYR 21 13.719 -6.220 -2.012 52 HE2 TYR 21 HE2 TYR 21 9.732 -7.808 -1.859 53 HH TYR 21 HH TYR 21 11.810 -9.091 -1.374 54 H GLN 22 H GLN 22 8.590 -4.149 -6.527 55 HA GLN 22 HA GLN 22 8.478 -7.008 -6.477 56 HB2 GLN 22 HB2 GLN 22 6.510 -5.384 -6.462 57 HB3 GLN 22 HB3 GLN 22 6.778 -5.182 -8.183 58 HG2 GLN 22 HG2 GLN 22 4.995 -6.732 -7.884 59 HG3 GLN 22 HG3 GLN 22 6.400 -7.632 -8.457 60 HE21 GLN 22 HE21 GLN 22 7.355 -9.201 -7.089 61 HE22 GLN 22 HE22 GLN 22 6.614 -9.607 -5.595 62 H GLN 23 H GLN 23 8.999 -4.617 -9.007 63 HA GLN 23 HA GLN 23 9.295 -6.459 -11.138 64 HB2 GLN 23 HB2 GLN 23 8.718 -4.134 -11.556 65 HB3 GLN 23 HB3 GLN 23 10.225 -3.597 -10.836 66 HG2 GLN 23 HG2 GLN 23 10.292 -3.455 -13.269 67 HG3 GLN 23 HG3 GLN 23 11.480 -4.601 -12.661 68 HE21 GLN 23 HE21 GLN 23 11.599 -5.654 -14.624 69 HE22 GLN 23 HE22 GLN 23 10.308 -6.665 -15.205 70 H LEU 24 H LEU 24 11.506 -4.985 -8.872 71 HA LEU 24 HA LEU 24 13.980 -5.691 -9.949 72 HB2 LEU 24 HB2 LEU 24 13.289 -4.277 -7.829 73 HB3 LEU 24 HB3 LEU 24 13.410 -5.786 -6.976 74 HG LEU 24 HG LEU 24 15.664 -4.361 -8.399 75 HD11 LEU 24 HD11 LEU 24 14.969 -3.240 -6.384 76 HD12 LEU 24 HD12 LEU 24 16.536 -4.013 -6.142 77 HD13 LEU 24 HD13 LEU 24 15.078 -4.747 -5.476 78 HD21 LEU 24 HD21 LEU 24 15.747 -6.875 -6.720 79 HD22 LEU 24 HD22 LEU 24 17.148 -6.015 -7.361 80 HD23 LEU 24 HD23 LEU 24 16.008 -6.790 -8.462 81 H ARG 25 H ARG 25 12.094 -7.454 -7.484 82 HA ARG 25 HA ARG 25 13.798 -9.702 -7.512 83 HB2 ARG 25 HB2 ARG 25 11.741 -10.867 -6.371 84 HB3 ARG 25 HB3 ARG 25 12.723 -9.695 -5.519 85 HG2 ARG 25 HG2 ARG 25 11.089 -8.009 -5.793 86 HG3 ARG 25 HG3 ARG 25 10.184 -8.995 -6.944 87 HD2 ARG 25 HD2 ARG 25 10.668 -9.824 -4.099 88 HD3 ARG 25 HD3 ARG 25 9.246 -8.903 -4.609 89 HE ARG 25 HE ARG 25 9.113 -10.813 -6.327 90 HH11 ARG 25 HH11 ARG 25 9.980 -11.218 -2.875 91 HH12 ARG 25 HH12 ARG 25 9.320 -12.722 -2.734 92 HH21 ARG 25 HH21 ARG 25 8.255 -12.811 -6.187 93 HH22 ARG 25 HH22 ARG 25 8.205 -13.727 -4.714 94 H GLU 26 H GLU 26 10.618 -9.321 -9.076 95 HA GLU 26 HA GLU 26 10.669 -11.900 -10.106 96 HB2 GLU 26 HB2 GLU 26 9.038 -9.513 -10.568 97 HB3 GLU 26 HB3 GLU 26 9.027 -10.729 -11.841 98 HG2 GLU 26 HG2 GLU 26 7.238 -10.984 -10.180 99 HG3 GLU 26 HG3 GLU 26 8.240 -12.413 -10.351 100 H ARG 27 H ARG 27 12.297 -9.041 -11.257 101 HA ARG 27 HA ARG 27 13.034 -10.209 -13.805 102 HB2 ARG 27 HB2 ARG 27 12.910 -7.847 -13.604 103 HB3 ARG 27 HB3 ARG 27 14.072 -7.885 -12.276 104 HG2 ARG 27 HG2 ARG 27 14.981 -7.289 -14.352 105 HG3 ARG 27 HG3 ARG 27 15.700 -8.788 -13.624 106 HD2 ARG 27 HD2 ARG 27 14.189 -10.000 -15.328 107 HD3 ARG 27 HD3 ARG 27 13.972 -8.422 -16.097 108 HE ARG 27 HE ARG 27 16.704 -8.913 -15.729 109 HH11 ARG 27 HH11 ARG 27 14.088 -10.310 -17.702 110 HH12 ARG 27 HH12 ARG 27 15.104 -10.705 -18.991 111 HH21 ARG 27 HH21 ARG 27 18.053 -9.511 -17.376 112 HH22 ARG 27 HH22 ARG 27 17.493 -10.238 -18.829 113 H LEU 28 H LEU 28 14.388 -10.100 -10.581 114 HA LEU 28 HA LEU 28 16.908 -11.102 -11.271 115 HB2 LEU 28 HB2 LEU 28 15.348 -11.642 -8.752 116 HB3 LEU 28 HB3 LEU 28 17.056 -11.958 -8.972 117 HG LEU 28 HG LEU 28 15.680 -9.299 -8.859 118 HD11 LEU 28 HD11 LEU 28 16.111 -10.322 -6.729 119 HD12 LEU 28 HD12 LEU 28 17.175 -8.931 -6.982 120 HD13 LEU 28 HD13 LEU 28 17.804 -10.572 -7.165 121 HD21 LEU 28 HD21 LEU 28 17.893 -8.303 -9.261 122 HD22 LEU 28 HD22 LEU 28 17.277 -9.241 -10.618 123 HD23 LEU 28 HD23 LEU 28 18.533 -9.927 -9.589 124 H ILE 29 H ILE 29 13.946 -12.736 -10.522 125 HA ILE 29 HA ILE 29 14.757 -15.356 -10.557 126 HB ILE 29 HB ILE 29 12.234 -13.923 -10.929 127 HG12 ILE 29 HG12 ILE 29 11.438 -15.511 -9.332 128 HG13 ILE 29 HG11 ILE 29 12.869 -16.499 -9.545 129 HG21 ILE 29 HG21 ILE 29 12.000 -15.260 -12.937 130 HG22 ILE 29 HG22 ILE 29 10.887 -15.823 -11.688 131 HG23 ILE 29 HG23 ILE 29 12.363 -16.726 -12.026 132 HD11 ILE 29 HD11 ILE 29 12.987 -15.220 -7.512 133 HD12 ILE 29 HD12 ILE 29 12.796 -13.717 -8.423 134 HD13 ILE 29 HD13 ILE 29 14.245 -14.724 -8.647 135 H GLN 30 H GLN 30 14.338 -13.281 -13.235 136 HA GLN 30 HA GLN 30 14.177 -15.325 -15.222 137 HB2 GLN 30 HB2 GLN 30 14.958 -12.448 -15.601 138 HB3 GLN 30 HB3 GLN 30 14.208 -13.555 -16.762 139 HG2 GLN 30 HG2 GLN 30 12.165 -13.628 -15.344 140 HG3 GLN 30 HG3 GLN 30 13.000 -12.534 -14.240 141 HE21 GLN 30 HE21 GLN 30 11.252 -11.170 -14.421 142 HE22 GLN 30 HE22 GLN 30 11.053 -10.102 -15.772 143 H GLU 31 H GLU 31 16.663 -13.286 -13.829 144 HA GLU 31 HA GLU 31 18.673 -14.404 -15.580 145 HB2 GLU 31 HB2 GLU 31 19.031 -12.411 -13.331 146 HB3 GLU 31 HB3 GLU 31 20.226 -12.823 -14.560 147 HG2 GLU 31 HG2 GLU 31 18.474 -12.093 -16.259 148 HG3 GLU 31 HG3 GLU 31 17.638 -11.435 -14.847 149 H LEU 32 H LEU 32 17.442 -14.956 -12.410 150 HA LEU 32 HA LEU 32 19.746 -16.398 -11.567 151 HB2 LEU 32 HB2 LEU 32 17.063 -16.066 -10.211 152 HB3 LEU 32 HB3 LEU 32 18.490 -16.806 -9.514 153 HG LEU 32 HG LEU 32 18.046 -14.010 -10.320 154 HD11 LEU 32 HD11 LEU 32 18.493 -13.503 -7.925 155 HD12 LEU 32 HD12 LEU 32 18.570 -15.240 -7.619 156 HD13 LEU 32 HD13 LEU 32 17.067 -14.505 -8.195 157 HD21 LEU 32 HD21 LEU 32 20.262 -14.367 -10.928 158 HD22 LEU 32 HD22 LEU 32 20.645 -15.249 -9.445 159 HD23 LEU 32 HD23 LEU 32 20.355 -13.515 -9.392 160 H ASN 33 H ASN 33 16.790 -17.018 -13.161 161 HA ASN 33 HA ASN 33 15.855 -18.760 -14.162 162 HB2 ASN 33 HB2 ASN 33 18.341 -19.214 -14.743 163 HB3 ASN 33 HB3 ASN 33 18.325 -20.414 -13.471 164 HD21 ASN 33 HD21 ASN 33 15.715 -21.523 -14.121 165 HD22 ASN 33 HD22 ASN 33 15.884 -22.340 -15.646 166 H LEU 34 H LEU 34 15.547 -18.292 -11.305 167 HA LEU 34 HA LEU 34 14.661 -20.939 -10.487 168 HB2 LEU 34 HB2 LEU 34 15.136 -20.262 -8.085 169 HB3 LEU 34 HB3 LEU 34 16.496 -20.669 -9.104 170 HG LEU 34 HG LEU 34 16.905 -18.217 -9.390 171 HD11 LEU 34 HD11 LEU 34 14.702 -17.435 -8.815 172 HD12 LEU 34 HD12 LEU 34 15.937 -16.675 -7.801 173 HD13 LEU 34 HD13 LEU 34 14.920 -17.972 -7.151 174 HD21 LEU 34 HD21 LEU 34 17.003 -19.338 -6.612 175 HD22 LEU 34 HD22 LEU 34 17.964 -17.976 -7.208 176 HD23 LEU 34 HD23 LEU 34 18.186 -19.593 -7.893 177 H THR 35 H THR 35 13.129 -20.426 -8.222 178 HA THR 35 HA THR 35 10.995 -18.998 -9.530 179 HB THR 35 HB THR 35 9.654 -20.123 -7.612 180 HG1 THR 35 HG1 THR 35 11.168 -22.215 -7.298 181 HG21 THR 35 HG21 THR 35 9.549 -20.875 -9.950 182 HG22 THR 35 HG22 THR 35 9.523 -22.250 -8.846 183 HG23 THR 35 HG23 THR 35 11.006 -21.838 -9.707 184 HA PRO 36 HA PRO 36 10.963 -15.211 -7.423 185 HB2 PRO 36 HB2 PRO 36 8.564 -15.542 -5.910 186 HB3 PRO 36 HB3 PRO 36 8.829 -14.639 -7.418 187 HG2 PRO 36 HG2 PRO 36 7.744 -17.351 -7.056 188 HG3 PRO 36 HG3 PRO 36 7.496 -16.196 -8.380 189 HD2 PRO 36 HD2 PRO 36 8.992 -18.365 -8.732 190 HD3 PRO 36 HD3 PRO 36 9.440 -16.812 -9.470 191 H GLN 37 H GLN 37 9.966 -17.694 -5.073 192 HA GLN 37 HA GLN 37 11.500 -16.120 -3.252 193 HB2 GLN 37 HB2 GLN 37 9.085 -17.696 -2.653 194 HB3 GLN 37 HB3 GLN 37 10.286 -17.496 -1.371 195 HG2 GLN 37 HG2 GLN 37 10.267 -15.056 -1.796 196 HG3 GLN 37 HG3 GLN 37 8.959 -15.305 -2.941 197 HE21 GLN 37 HE21 GLN 37 9.242 -13.816 -0.424 198 HE22 GLN 37 HE22 GLN 37 7.912 -14.344 0.558 199 H GLN 38 H GLN 38 12.396 -18.438 -5.035 200 HA GLN 38 HA GLN 38 13.922 -19.687 -2.920 201 HB2 GLN 38 HB2 GLN 38 13.710 -20.272 -5.872 202 HB3 GLN 38 HB3 GLN 38 14.883 -21.062 -4.822 203 HG2 GLN 38 HG2 GLN 38 11.899 -21.127 -4.427 204 HG3 GLN 38 HG3 GLN 38 12.851 -22.409 -5.172 205 HE21 GLN 38 HE21 GLN 38 12.150 -20.728 -2.163 206 HE22 GLN 38 HE22 GLN 38 12.835 -21.947 -1.148 207 H LEU 39 H LEU 39 14.004 -16.862 -4.190 208 HA LEU 39 HA LEU 39 16.878 -16.803 -4.568 209 HB2 LEU 39 HB2 LEU 39 16.671 -14.643 -5.506 210 HB3 LEU 39 HB3 LEU 39 15.202 -15.409 -6.038 211 HG LEU 39 HG LEU 39 14.066 -14.167 -4.052 212 HD11 LEU 39 HD11 LEU 39 16.149 -13.493 -2.923 213 HD12 LEU 39 HD12 LEU 39 15.164 -12.104 -3.369 214 HD13 LEU 39 HD13 LEU 39 16.580 -12.526 -4.330 215 HD21 LEU 39 HD21 LEU 39 15.196 -12.618 -6.364 216 HD22 LEU 39 HD22 LEU 39 13.827 -12.136 -5.369 217 HD23 LEU 39 HD23 LEU 39 13.711 -13.575 -6.387 218 H HIS 40 H HIS 40 18.057 -15.239 -3.184 219 HA HIS 40 HA HIS 40 17.341 -15.750 -0.475 220 HB2 HIS 40 HB2 HIS 40 19.628 -14.351 -1.795 221 HB3 HIS 40 HB3 HIS 40 19.576 -14.608 -0.087 222 HD1 HIS 40 HD1 HIS 40 21.937 -15.807 -1.564 223 HD2 HIS 40 HD2 HIS 40 18.375 -17.871 -1.001 224 HE1 HIS 40 HE1 HIS 40 22.485 -18.250 -1.824 225 H GLU 41 H GLU 41 15.349 -14.353 -0.420 226 HA GLU 41 HA GLU 41 15.619 -11.589 -0.871 227 HB2 GLU 41 HB2 GLU 41 13.485 -12.978 0.772 228 HB3 GLU 41 HB3 GLU 41 13.485 -11.249 0.464 229 HG2 GLU 41 HG2 GLU 41 13.558 -11.891 -2.022 230 HG3 GLU 41 HG3 GLU 41 13.097 -13.500 -1.480 231 H GLU 42 H GLU 42 15.858 -13.354 2.162 232 HA GLU 42 HA GLU 42 17.222 -10.966 3.186 233 HB2 GLU 42 HB2 GLU 42 15.046 -11.486 4.382 234 HB3 GLU 42 HB3 GLU 42 15.766 -13.002 4.908 235 HG2 GLU 42 HG2 GLU 42 15.888 -11.324 6.677 236 HG3 GLU 42 HG3 GLU 42 17.497 -11.780 6.121 237 H SER 43 H SER 43 18.208 -13.192 1.633 238 HA SER 43 HA SER 43 20.227 -14.017 3.536 239 HB2 SER 43 HB2 SER 43 18.995 -15.662 1.305 240 HB3 SER 43 HB3 SER 43 20.393 -16.183 2.272 241 HG SER 43 HG SER 43 18.531 -15.383 3.922 242 H ASN 44 H ASN 44 22.356 -14.440 2.345 243 HA ASN 44 HA ASN 44 22.942 -12.011 1.008 244 HB2 ASN 44 HB2 ASN 44 24.553 -13.430 2.436 245 HB3 ASN 44 HB3 ASN 44 24.745 -14.417 0.986 246 HD21 ASN 44 HD21 ASN 44 26.705 -12.797 2.401 247 HD22 ASN 44 HD22 ASN 44 27.322 -11.679 1.239 248 H LEU 45 H LEU 45 22.527 -11.476 -0.933 249 HA LEU 45 HA LEU 45 21.788 -13.317 -2.925 250 HB2 LEU 45 HB2 LEU 45 22.303 -10.362 -3.028 251 HB3 LEU 45 HB3 LEU 45 21.863 -11.298 -4.442 252 HG LEU 45 HG LEU 45 20.136 -11.105 -1.971 253 HD11 LEU 45 HD11 LEU 45 19.955 -9.628 -4.600 254 HD12 LEU 45 HD12 LEU 45 20.350 -8.905 -3.037 255 HD13 LEU 45 HD13 LEU 45 18.750 -9.598 -3.319 256 HD21 LEU 45 HD21 LEU 45 19.808 -13.114 -3.374 257 HD22 LEU 45 HD22 LEU 45 19.563 -12.070 -4.773 258 HD23 LEU 45 HD23 LEU 45 18.431 -12.018 -3.424 259 H ILE 46 H ILE 46 24.866 -12.167 -1.981 260 HA ILE 46 HA ILE 46 26.113 -12.543 -4.544 261 HB ILE 46 HB ILE 46 27.428 -12.367 -1.786 262 HG12 ILE 46 HG12 ILE 46 26.088 -10.370 -2.192 263 HG13 ILE 46 HG11 ILE 46 27.800 -9.980 -2.264 264 HG21 ILE 46 HG21 ILE 46 28.599 -11.884 -4.527 265 HG22 ILE 46 HG22 ILE 46 28.976 -13.243 -3.461 266 HG23 ILE 46 HG23 ILE 46 29.423 -11.594 -2.998 267 HD11 ILE 46 HD11 ILE 46 25.941 -10.332 -4.606 268 HD12 ILE 46 HD12 ILE 46 27.657 -9.984 -4.732 269 HD13 ILE 46 HD13 ILE 46 26.570 -8.806 -3.984 270 H GLN 47 H GLN 47 24.909 -14.577 -2.173 271 HA GLN 47 HA GLN 47 26.619 -16.761 -2.911 272 HB2 GLN 47 HB2 GLN 47 24.552 -16.418 -0.817 273 HB3 GLN 47 HB3 GLN 47 24.764 -18.049 -1.442 274 HG2 GLN 47 HG2 GLN 47 26.110 -17.740 0.541 275 HG3 GLN 47 HG3 GLN 47 27.144 -17.960 -0.863 276 HE21 GLN 47 HE21 GLN 47 28.338 -16.166 -1.619 277 HE22 GLN 47 HE22 GLN 47 28.631 -14.804 -0.602 278 H ALA 48 H ALA 48 24.090 -15.241 -4.198 279 HA ALA 48 HA ALA 48 23.110 -17.577 -5.674 280 HB1 ALA 48 HB1 ALA 48 21.863 -14.834 -5.270 281 HB2 ALA 48 HB2 ALA 48 21.303 -16.335 -4.536 282 HB3 ALA 48 HB3 ALA 48 21.186 -16.111 -6.281 283 H GLY 49 H GLY 49 22.436 -16.448 -8.088 284 HA2 GLY 49 HA2 GLY 49 25.073 -15.659 -8.988 285 HA3 GLY 49 HA3 GLY 49 23.667 -15.948 -10.009 286 H LEU 50 H LEU 50 25.242 -13.655 -7.929 287 HA LEU 50 HA LEU 50 23.968 -11.532 -9.415 288 HB2 LEU 50 HB2 LEU 50 22.794 -11.689 -7.334 289 HB3 LEU 50 HB3 LEU 50 24.293 -11.721 -6.419 290 HG LEU 50 HG LEU 50 24.771 -9.471 -7.350 291 HD11 LEU 50 HD11 LEU 50 23.222 -9.445 -9.189 292 HD12 LEU 50 HD12 LEU 50 22.851 -8.110 -8.096 293 HD13 LEU 50 HD13 LEU 50 21.849 -9.564 -8.087 294 HD21 LEU 50 HD21 LEU 50 24.057 -9.759 -5.055 295 HD22 LEU 50 HD22 LEU 50 22.361 -9.701 -5.566 296 HD23 LEU 50 HD23 LEU 50 23.386 -8.283 -5.736 297 H ASP 51 H ASP 51 25.678 -11.068 -10.564 298 HA ASP 51 HA ASP 51 28.260 -10.625 -9.327 299 HB2 ASP 51 HB2 ASP 51 29.001 -10.257 -11.668 300 HB3 ASP 51 HB3 ASP 51 28.323 -11.853 -11.364 301 H 4HJ 52 H 4HJ 52 29.139 -8.536 -11.114 302 HA 4HJ 52 HA 4HJ 52 27.835 -6.503 -9.567 303 HAA 4HJ 52 HAA 4HJ 52 29.221 -11.337 -7.619 304 HB3 4HJ 52 HB3 4HJ 52 29.826 -5.130 -10.149 305 HB2 4HJ 52 HB2 4HJ 52 30.268 -6.614 -9.300 306 HZ1 4HJ 52 HZ1 4HJ 52 30.724 -10.942 -9.503 307 HZ2 4HJ 52 HZ2 4HJ 52 29.344 -9.977 -5.629 308 HZ 4HJ 52 HZ 4HJ 52 32.909 -8.231 -9.831 309 HJ2 4HJ 52 HJ2 4HJ 52 31.018 -3.321 -11.432 310 HJ3 4HJ 52 HJ3 4HJ 52 32.749 -3.299 -11.731 311 HL12 4HJ 52 HL12 4HJ 52 34.282 -3.121 -9.851 312 HL11 4HJ 52 HL11 4HJ 52 33.264 -4.010 -8.771 313 HL13 4HJ 52 HL13 4HJ 52 33.782 -2.430 -8.258 314 HL22 4HJ 52 HL22 4HJ 52 31.093 -2.093 -7.962 315 HL21 4HJ 52 HL21 4HJ 52 31.088 -3.755 -8.480 316 HL23 4HJ 52 HL23 4HJ 52 30.107 -2.633 -9.370 317 HM 4HJ 52 HM 4HJ 52 30.596 -0.412 -10.439 318 HN 4HJ 52 HN 4HJ 52 33.720 1.330 -9.024 319 HL3 4HJ 52 HL3 4HJ 52 33.373 -1.015 -10.613 320 HO2 4HJ 52 HO2 4HJ 52 34.966 -0.679 -7.815 321 HO3 4HJ 52 HO3 4HJ 52 34.609 0.796 -6.875 322 HP2 4HJ 52 HP2 4HJ 52 32.692 -0.062 -5.908 323 HP3 4HJ 52 HP3 4HJ 52 32.762 -1.531 -6.899 324 HS2 4HJ 52 HS2 4HJ 52 33.845 -4.139 -4.140 325 HS3 4HJ 52 HS3 4HJ 52 32.644 -3.622 -5.360 326 HT3 4HJ 52 HT3 4HJ 52 34.896 -5.505 -5.956 327 HT2 4HJ 52 HT2 4HJ 52 33.745 -4.814 -7.090 328 HY2 4HJ 52 HY2 4HJ 52 31.040 -8.136 -5.439 329 HR 4HJ 52 HR 4HJ 52 35.332 -2.927 -6.066 330 H ILE 53 H ILE 53 27.869 -7.760 -12.653 331 HA ILE 53 HA ILE 53 27.289 -5.240 -13.835 332 HB ILE 53 HB ILE 53 28.348 -7.487 -14.858 333 HG12 ILE 53 HG12 ILE 53 28.548 -5.393 -15.883 334 HG13 ILE 53 HG11 ILE 53 27.921 -6.539 -17.073 335 HG21 ILE 53 HG21 ILE 53 25.460 -7.570 -15.795 336 HG22 ILE 53 HG22 ILE 53 26.276 -8.811 -14.843 337 HG23 ILE 53 HG23 ILE 53 26.778 -8.504 -16.506 338 HD11 ILE 53 HD11 ILE 53 26.398 -4.431 -15.573 339 HD12 ILE 53 HD12 ILE 53 25.645 -5.662 -16.543 340 HD13 ILE 53 HD13 ILE 53 26.704 -4.441 -17.326 341 H ARG 54 H ARG 54 25.709 -8.005 -12.575 342 HA ARG 54 HA ARG 54 23.076 -7.119 -13.132 343 HB2 ARG 54 HB2 ARG 54 24.261 -8.983 -11.123 344 HB3 ARG 54 HB3 ARG 54 22.648 -8.351 -10.824 345 HG2 ARG 54 HG2 ARG 54 22.523 -10.511 -11.870 346 HG3 ARG 54 HG3 ARG 54 21.892 -9.273 -12.944 347 HD2 ARG 54 HD2 ARG 54 24.043 -9.292 -14.166 348 HD3 ARG 54 HD3 ARG 54 24.597 -10.605 -13.122 349 HE ARG 54 HE ARG 54 22.104 -10.879 -14.657 350 HH11 ARG 54 HH11 ARG 54 25.393 -12.093 -13.997 351 HH12 ARG 54 HH12 ARG 54 25.170 -13.534 -14.834 352 HH21 ARG 54 HH21 ARG 54 21.795 -12.816 -15.766 353 HH22 ARG 54 HH22 ARG 54 23.027 -13.995 -15.881 354 H LEU 55 H LEU 55 25.136 -6.802 -10.281 355 HA LEU 55 HA LEU 55 23.548 -5.136 -8.773 356 HB2 LEU 55 HB2 LEU 55 26.519 -5.394 -8.913 357 HB3 LEU 55 HB3 LEU 55 25.730 -4.338 -7.779 358 HG LEU 55 HG LEU 55 24.896 -7.208 -7.826 359 HD11 LEU 55 HD11 LEU 55 27.316 -6.093 -6.409 360 HD12 LEU 55 HD12 LEU 55 27.339 -7.311 -7.685 361 HD13 LEU 55 HD13 LEU 55 26.606 -7.677 -6.131 362 HD21 LEU 55 HD21 LEU 55 23.621 -5.630 -6.517 363 HD22 LEU 55 HD22 LEU 55 25.093 -5.052 -5.745 364 HD23 LEU 55 HD23 LEU 55 24.536 -6.689 -5.436 365 H MET 56 H MET 56 26.080 -4.027 -11.142 366 HA MET 56 HA MET 56 25.497 -1.348 -10.463 367 HB2 MET 56 HB2 MET 56 26.930 -2.403 -12.900 368 HB3 MET 56 HB3 MET 56 26.763 -0.700 -12.528 369 HG2 MET 56 HG2 MET 56 28.372 -2.774 -11.018 370 HG3 MET 56 HG3 MET 56 28.943 -1.323 -11.834 371 HE1 MET 56 HE1 MET 56 28.112 -2.957 -8.568 372 HE2 MET 56 HE2 MET 56 26.462 -2.415 -8.853 373 HE3 MET 56 HE3 MET 56 27.404 -1.713 -7.548 374 H ARG 57 H ARG 57 24.094 -3.498 -12.770 375 HA ARG 57 HA ARG 57 22.567 -1.606 -14.222 376 HB2 ARG 57 HB2 ARG 57 22.336 -4.471 -13.685 377 HB3 ARG 57 HB3 ARG 57 20.932 -3.588 -14.287 378 HG2 ARG 57 HG2 ARG 57 22.398 -2.683 -16.088 379 HG3 ARG 57 HG3 ARG 57 23.630 -3.838 -15.552 380 HD2 ARG 57 HD2 ARG 57 20.875 -4.544 -16.056 381 HD3 ARG 57 HD3 ARG 57 22.046 -4.523 -17.404 382 HE ARG 57 HE ARG 57 23.310 -6.075 -15.766 383 HH11 ARG 57 HH11 ARG 57 19.758 -6.141 -16.048 384 HH12 ARG 57 HH12 ARG 57 19.662 -7.842 -15.834 385 HH21 ARG 57 HH21 ARG 57 23.092 -8.434 -15.569 386 HH22 ARG 57 HH22 ARG 57 21.520 -9.113 -15.577 387 H TRP 58 H TRP 58 21.975 -3.399 -11.307 388 HA TRP 58 HA TRP 58 19.351 -2.362 -10.777 389 HB2 TRP 58 HB2 TRP 58 21.342 -3.513 -8.817 390 HB3 TRP 58 HB3 TRP 58 19.622 -3.205 -8.515 391 HD1 TRP 58 HD1 TRP 58 21.509 -6.092 -9.046 392 HE1 TRP 58 HE1 TRP 58 20.354 -7.866 -10.518 393 HE3 TRP 58 HE3 TRP 58 17.735 -3.219 -11.074 394 HZ2 TRP 58 HZ2 TRP 58 18.163 -8.007 -12.306 395 HZ3 TRP 58 HZ3 TRP 58 16.192 -4.261 -12.617 396 HH2 TRP 58 HH2 TRP 58 16.383 -6.598 -13.210 397 H LEU 59 H LEU 59 22.392 -1.238 -9.531 398 HA LEU 59 HA LEU 59 21.425 0.952 -8.092 399 HB2 LEU 59 HB2 LEU 59 23.953 0.483 -9.589 400 HB3 LEU 59 HB3 LEU 59 23.624 2.071 -8.942 401 HG LEU 59 HG LEU 59 25.080 0.682 -7.557 402 HD11 LEU 59 HD11 LEU 59 22.486 1.401 -6.225 403 HD12 LEU 59 HD12 LEU 59 23.780 2.517 -6.669 404 HD13 LEU 59 HD13 LEU 59 24.093 1.282 -5.458 405 HD21 LEU 59 HD21 LEU 59 24.072 -1.436 -8.005 406 HD22 LEU 59 HD22 LEU 59 22.602 -0.948 -7.197 407 HD23 LEU 59 HD23 LEU 59 24.113 -1.158 -6.252 408 H HIS 60 H HIS 60 22.390 0.775 -11.413 409 HA HIS 60 HA HIS 60 21.894 3.459 -12.045 410 HB2 HIS 60 HB2 HIS 60 23.460 2.086 -13.164 411 HB3 HIS 60 HB3 HIS 60 22.222 0.973 -13.680 412 HD1 HIS 60 HD1 HIS 60 23.883 4.145 -14.748 413 HD2 HIS 60 HD2 HIS 60 20.454 2.012 -15.721 414 HE1 HIS 60 HE1 HIS 60 22.996 5.171 -16.874 415 H TRP 61 H TRP 61 19.879 0.595 -12.087 416 HA TRP 61 HA TRP 61 17.843 1.584 -13.766 417 HB2 TRP 61 HB2 TRP 61 18.190 -0.800 -13.375 418 HB3 TRP 61 HB3 TRP 61 17.842 -0.576 -11.674 419 HD1 TRP 61 HD1 TRP 61 15.865 0.226 -14.961 420 HE1 TRP 61 HE1 TRP 61 13.415 -0.504 -14.586 421 HE3 TRP 61 HE3 TRP 61 16.272 -1.527 -10.227 422 HZ2 TRP 61 HZ2 TRP 61 11.862 -1.696 -12.515 423 HZ3 TRP 61 HZ3 TRP 61 14.284 -2.470 -9.115 424 HH2 TRP 61 HH2 TRP 61 12.132 -2.545 -10.246 425 H PHE 62 H PHE 62 17.791 1.050 -10.226 426 HA PHE 62 HA PHE 62 15.524 2.698 -10.022 427 HB2 PHE 62 HB2 PHE 62 16.299 2.609 -7.391 428 HB3 PHE 62 HB3 PHE 62 15.233 1.469 -8.175 429 HD1 PHE 62 HD1 PHE 62 18.694 2.078 -7.034 430 HD2 PHE 62 HD2 PHE 62 15.829 -0.713 -8.440 431 HE1 PHE 62 HE1 PHE 62 20.194 0.205 -6.412 432 HE2 PHE 62 HE2 PHE 62 17.290 -2.563 -7.850 433 HZ PHE 62 HZ PHE 62 19.463 -2.144 -6.896 434 H ARG 63 H ARG 63 18.769 3.482 -10.075 435 HA ARG 63 HA ARG 63 18.947 5.857 -8.700 436 HB2 ARG 63 HB2 ARG 63 20.728 4.651 -10.083 437 HB3 ARG 63 HB3 ARG 63 20.112 5.555 -11.453 438 HG2 ARG 63 HG2 ARG 63 22.073 6.637 -10.534 439 HG3 ARG 63 HG3 ARG 63 20.649 7.655 -10.285 440 HD2 ARG 63 HD2 ARG 63 20.483 7.013 -8.002 441 HD3 ARG 63 HD3 ARG 63 21.674 5.732 -8.218 442 HE ARG 63 HE ARG 63 22.457 8.509 -8.618 443 HH11 ARG 63 HH11 ARG 63 22.547 5.584 -6.680 444 HH12 ARG 63 HH12 ARG 63 23.925 5.960 -5.768 445 HH21 ARG 63 HH21 ARG 63 24.393 9.161 -7.314 446 HH22 ARG 63 HH22 ARG 63 24.980 8.092 -6.128 447 H LYS 64 H LYS 64 17.002 5.254 -11.490 448 HA LYS 64 HA LYS 64 16.833 7.893 -12.536 449 HB2 LYS 64 HB2 LYS 64 14.758 5.694 -12.706 450 HB3 LYS 64 HB3 LYS 64 14.820 7.130 -13.710 451 HG2 LYS 64 HG2 LYS 64 16.776 4.832 -13.699 452 HG3 LYS 64 HG3 LYS 64 15.620 5.240 -14.964 453 HD2 LYS 64 HD2 LYS 64 16.829 7.392 -15.295 454 HD3 LYS 64 HD3 LYS 64 18.021 6.860 -14.110 455 HE2 LYS 64 HE2 LYS 64 17.394 5.567 -16.765 456 HE3 LYS 64 HE3 LYS 64 18.866 6.430 -16.329 457 HZ1 LYS 64 HZ1 LYS 64 17.940 3.815 -15.261 458 HZ2 LYS 64 HZ2 LYS 64 19.201 4.649 -14.586 459 HZ3 LYS 64 HZ3 LYS 64 19.333 4.107 -16.176 460 H ASN 65 H ASN 65 15.318 6.301 -9.832 461 HA ASN 65 HA ASN 65 13.418 8.507 -9.458 462 HB2 ASN 65 HB2 ASN 65 12.645 6.118 -9.169 463 HB3 ASN 65 HB3 ASN 65 13.782 5.967 -7.838 464 HD21 ASN 65 HD21 ASN 65 12.116 5.447 -6.382 465 HD22 ASN 65 HD22 ASN 65 10.999 6.641 -5.820 466 H GLY 66 H GLY 66 16.491 8.201 -9.024 467 HA2 GLY 66 HA2 GLY 66 17.957 9.556 -7.912 468 HA3 GLY 66 HA3 GLY 66 16.604 10.218 -7.022 469 H TYR 67 H TYR 67 17.052 6.765 -6.852 470 HA TYR 67 HA TYR 67 17.332 6.807 -4.048 471 HB2 TYR 67 HB2 TYR 67 18.138 4.578 -5.947 472 HB3 TYR 67 HB3 TYR 67 18.090 4.416 -4.200 473 HD1 TYR 67 HD2 TYR 67 16.089 4.698 -7.252 474 HD2 TYR 67 HD1 TYR 67 15.923 4.165 -3.041 475 HE1 TYR 67 HE2 TYR 67 13.796 4.012 -7.444 476 HE2 TYR 67 HE1 TYR 67 13.544 3.459 -3.275 477 HH TYR 67 HH TYR 67 12.282 2.644 -6.257 478 H ARG 68 H ARG 68 18.885 7.736 -2.983 479 HA ARG 68 HA ARG 68 21.516 8.026 -4.067 480 HB2 ARG 68 HB2 ARG 68 20.489 8.721 -1.314 481 HB3 ARG 68 HB3 ARG 68 22.043 9.180 -1.965 482 HG2 ARG 68 HG2 ARG 68 20.933 10.556 -3.665 483 HG3 ARG 68 HG3 ARG 68 19.361 10.094 -3.000 484 HD2 ARG 68 HD2 ARG 68 19.947 11.096 -0.863 485 HD3 ARG 68 HD3 ARG 68 21.546 11.506 -1.473 486 HE ARG 68 HE ARG 68 19.488 12.633 -3.077 487 HH11 ARG 68 HH11 ARG 68 20.954 13.074 0.124 488 HH12 ARG 68 HH12 ARG 68 20.558 14.745 0.159 489 HH21 ARG 68 HH21 ARG 68 19.132 14.912 -3.002 490 HH22 ARG 68 HH22 ARG 68 19.655 15.799 -1.616 491 H LEU 69 H LEU 69 22.190 5.945 -4.281 492 HA LEU 69 HA LEU 69 22.996 4.576 -1.773 493 HB2 LEU 69 HB2 LEU 69 22.460 3.214 -4.400 494 HB3 LEU 69 HB3 LEU 69 22.757 2.490 -2.838 495 HG LEU 69 HG LEU 69 20.253 3.959 -3.676 496 HD11 LEU 69 HD11 LEU 69 19.162 1.775 -3.480 497 HD12 LEU 69 HD12 LEU 69 20.716 1.029 -3.135 498 HD13 LEU 69 HD13 LEU 69 20.425 1.771 -4.705 499 HD21 LEU 69 HD21 LEU 69 20.667 4.342 -1.333 500 HD22 LEU 69 HD22 LEU 69 20.953 2.624 -1.072 501 HD23 LEU 69 HD23 LEU 69 19.336 3.194 -1.512 502 H THR 70 H THR 70 25.028 4.005 -1.623 503 HA THR 70 HA THR 70 26.705 4.470 -3.933 504 HB THR 70 HB THR 70 27.503 3.949 -1.026 505 HG1 THR 70 HG1 THR 70 27.028 5.945 -0.666 506 HG21 THR 70 HG21 THR 70 29.068 5.138 -3.336 507 HG22 THR 70 HG22 THR 70 29.290 3.517 -2.674 508 HG23 THR 70 HG23 THR 70 29.666 4.931 -1.689 509 H LEU 71 H LEU 71 28.369 2.600 -4.124 510 HA LEU 71 HA LEU 71 26.686 0.414 -4.644 511 HB2 LEU 71 HB2 LEU 71 29.680 0.400 -4.940 512 HB3 LEU 71 HB3 LEU 71 28.518 -0.747 -5.584 513 HG LEU 71 HG LEU 71 29.147 0.571 -7.414 514 HD11 LEU 71 HD11 LEU 71 27.125 1.751 -8.038 515 HD12 LEU 71 HD12 LEU 71 26.566 1.634 -6.362 516 HD13 LEU 71 HD13 LEU 71 26.847 0.168 -7.312 517 HD21 LEU 71 HD21 LEU 71 30.188 2.399 -6.195 518 HD22 LEU 71 HD22 LEU 71 28.540 2.975 -5.797 519 HD23 LEU 71 HD23 LEU 71 29.094 2.935 -7.492 520 H ARG 72 H ARG 72 28.814 1.148 -2.137 521 HA ARG 72 HA ARG 72 29.561 -1.514 -1.469 522 HB2 ARG 72 HB2 ARG 72 30.875 -0.557 0.267 523 HB3 ARG 72 HB3 ARG 72 31.057 0.451 -1.147 524 HG2 ARG 72 HG2 ARG 72 30.855 2.043 0.455 525 HG3 ARG 72 HG3 ARG 72 29.148 1.833 0.051 526 HD2 ARG 72 HD2 ARG 72 29.165 0.053 1.929 527 HD3 ARG 72 HD3 ARG 72 30.668 0.825 2.438 528 HE ARG 72 HE ARG 72 28.262 2.423 2.040 529 HH11 ARG 72 HH11 ARG 72 30.705 1.261 4.318 530 HH12 ARG 72 HH12 ARG 72 30.082 2.160 5.630 531 HH21 ARG 72 HH21 ARG 72 27.438 3.510 3.653 532 HH22 ARG 72 HH22 ARG 72 28.070 3.569 5.256 533 H GLU 73 H GLU 73 26.998 0.641 -0.543 534 HA GLU 73 HA GLU 73 26.021 -0.366 1.813 535 HB2 GLU 73 HB2 GLU 73 24.727 0.640 -0.717 536 HB3 GLU 73 HB3 GLU 73 23.787 0.213 0.690 537 HG2 GLU 73 HG2 GLU 73 24.416 2.625 0.125 538 HG3 GLU 73 HG3 GLU 73 24.413 2.125 1.831 539 H LEU 74 H LEU 74 25.421 -1.289 -1.466 540 HA LEU 74 HA LEU 74 23.692 -3.478 -0.801 541 HB2 LEU 74 HB2 LEU 74 24.779 -2.840 -3.546 542 HB3 LEU 74 HB3 LEU 74 23.352 -3.782 -3.162 543 HG LEU 74 HG LEU 74 22.723 -1.447 -1.977 544 HD11 LEU 74 HD11 LEU 74 24.630 -0.242 -2.622 545 HD12 LEU 74 HD12 LEU 74 23.269 0.383 -3.547 546 HD13 LEU 74 HD13 LEU 74 24.447 -0.690 -4.303 547 HD21 LEU 74 HD21 LEU 74 21.309 -0.946 -3.858 548 HD22 LEU 74 HD22 LEU 74 21.274 -2.667 -3.491 549 HD23 LEU 74 HD23 LEU 74 22.204 -2.075 -4.885 550 H TYR 75 H TYR 75 26.973 -3.194 -0.954 551 HA TYR 75 HA TYR 75 27.416 -6.026 -1.562 552 HB2 TYR 75 HB2 TYR 75 29.273 -3.711 -1.139 553 HB3 TYR 75 HB3 TYR 75 29.862 -5.363 -1.012 554 HD1 TYR 75 HD1 TYR 75 28.928 -6.867 -2.963 555 HD2 TYR 75 HD2 TYR 75 29.607 -2.706 -3.190 556 HE1 TYR 75 HE1 TYR 75 29.165 -7.054 -5.403 557 HE2 TYR 75 HE2 TYR 75 29.847 -2.855 -5.632 558 HH TYR 75 HH TYR 75 29.066 -5.733 -7.363 559 H ALA 76 H ALA 76 27.448 -3.772 1.092 560 HA ALA 76 HA ALA 76 28.589 -5.632 2.858 561 HB1 ALA 76 HB1 ALA 76 28.018 -4.021 4.641 562 HB2 ALA 76 HB2 ALA 76 27.051 -3.105 3.484 563 HB3 ALA 76 HB3 ALA 76 28.796 -3.231 3.269 564 H ALA 77 H ALA 77 25.329 -4.582 2.072 565 HA ALA 77 HA ALA 77 24.341 -6.973 3.420 566 HB1 ALA 77 HB1 ALA 77 22.329 -5.767 4.126 567 HB2 ALA 77 HB2 ALA 77 22.970 -4.277 3.436 568 HB3 ALA 77 HB3 ALA 77 23.775 -5.028 4.815 569 HA PRO 78 HA PRO 78 22.694 -6.929 -0.805 570 HB2 PRO 78 HB2 PRO 78 23.811 -9.415 -1.440 571 HB3 PRO 78 HB3 PRO 78 24.503 -7.838 -1.868 572 HG2 PRO 78 HG2 PRO 78 25.650 -9.698 -0.121 573 HG3 PRO 78 HG3 PRO 78 26.127 -8.002 -0.323 574 HD2 PRO 78 HD2 PRO 78 24.400 -9.230 1.769 575 HD3 PRO 78 HD3 PRO 78 25.543 -7.870 1.885 576 H THR 79 H THR 79 20.687 -7.228 0.394 577 HA THR 79 HA THR 79 19.580 -9.824 -0.183 578 HB THR 79 HB THR 79 18.341 -9.951 1.932 579 HG1 THR 79 HG1 THR 79 18.605 -8.564 3.583 580 HG21 THR 79 HG21 THR 79 21.260 -9.532 2.583 581 HG22 THR 79 HG22 THR 79 20.523 -11.040 2.042 582 HG23 THR 79 HG23 THR 79 20.093 -10.361 3.612 583 H LEU 80 H LEU 80 17.334 -9.533 -0.698 584 HA LEU 80 HA LEU 80 16.729 -6.947 -1.732 585 HB2 LEU 80 HB2 LEU 80 15.030 -9.351 -1.305 586 HB3 LEU 80 HB3 LEU 80 14.413 -7.907 -2.048 587 HG LEU 80 HG LEU 80 16.540 -9.691 -2.949 588 HD11 LEU 80 HD11 LEU 80 14.145 -10.364 -3.333 589 HD12 LEU 80 HD12 LEU 80 14.933 -10.012 -4.876 590 HD13 LEU 80 HD13 LEU 80 13.881 -8.810 -4.123 591 HD21 LEU 80 HD21 LEU 80 16.654 -8.257 -5.018 592 HD22 LEU 80 HD22 LEU 80 17.255 -7.469 -3.571 593 HD23 LEU 80 HD23 LEU 80 15.643 -7.078 -4.189 594 H ALA 81 H ALA 81 15.947 -8.656 1.046 595 HA ALA 81 HA ALA 81 13.959 -6.908 2.023 596 HB1 ALA 81 HB1 ALA 81 14.307 -9.135 2.972 597 HB2 ALA 81 HB2 ALA 81 14.288 -7.887 4.218 598 HB3 ALA 81 HB3 ALA 81 15.819 -8.585 3.691 599 H ALA 82 H ALA 82 17.499 -6.836 2.567 600 HA ALA 82 HA ALA 82 17.421 -4.471 4.132 601 HB1 ALA 82 HB1 ALA 82 19.696 -5.537 2.458 602 HB2 ALA 82 HB2 ALA 82 19.379 -5.960 4.142 603 HB3 ALA 82 HB3 ALA 82 19.823 -4.306 3.711 604 H TRP 83 H TRP 83 17.748 -5.096 0.691 605 HA TRP 83 HA TRP 83 18.251 -2.411 -0.009 606 HB2 TRP 83 HB2 TRP 83 17.099 -4.627 -1.713 607 HB3 TRP 83 HB3 TRP 83 17.605 -3.063 -2.331 608 HD1 TRP 83 HD1 TRP 83 20.126 -3.982 0.156 609 HE1 TRP 83 HE1 TRP 83 22.144 -5.108 -0.901 610 HE3 TRP 83 HE3 TRP 83 18.146 -4.890 -4.442 611 HZ2 TRP 83 HZ2 TRP 83 22.831 -6.257 -3.428 612 HZ3 TRP 83 HZ3 TRP 83 19.545 -6.010 -6.140 613 HH2 TRP 83 HH2 TRP 83 21.836 -6.671 -5.640 614 H ASN 84 H ASN 84 15.320 -4.258 0.390 615 HA ASN 84 HA ASN 84 13.448 -2.452 -0.610 616 HB2 ASN 84 HB2 ASN 84 12.835 -4.727 0.064 617 HB3 ASN 84 HB3 ASN 84 13.185 -4.342 1.744 618 HD21 ASN 84 HD21 ASN 84 10.983 -3.870 -0.894 619 HD22 ASN 84 HD22 ASN 84 9.679 -3.258 0.073 620 H GLN 85 H GLN 85 14.940 -2.682 2.541 621 HA GLN 85 HA GLN 85 13.554 -0.596 3.793 622 HB2 GLN 85 HB2 GLN 85 16.267 -1.799 4.304 623 HB3 GLN 85 HB3 GLN 85 15.554 -0.577 5.351 624 HG2 GLN 85 HG2 GLN 85 13.750 -2.002 5.941 625 HG3 GLN 85 HG3 GLN 85 14.176 -3.161 4.687 626 HE21 GLN 85 HE21 GLN 85 15.758 -4.621 5.062 627 HE22 GLN 85 HE22 GLN 85 16.484 -4.868 6.608 628 H LEU 86 H LEU 86 16.106 -0.521 1.495 629 HA LEU 86 HA LEU 86 16.925 2.207 1.907 630 HB2 LEU 86 HB2 LEU 86 17.252 0.294 -0.370 631 HB3 LEU 86 HB3 LEU 86 17.895 1.915 -0.374 632 HG LEU 86 HG LEU 86 18.694 -0.160 1.665 633 HD11 LEU 86 HD11 LEU 86 20.010 0.725 -0.882 634 HD12 LEU 86 HD12 LEU 86 19.200 -0.821 -0.679 635 HD13 LEU 86 HD13 LEU 86 20.670 -0.460 0.255 636 HD21 LEU 86 HD21 LEU 86 19.851 2.428 0.719 637 HD22 LEU 86 HD22 LEU 86 20.614 1.348 1.880 638 HD23 LEU 86 HD23 LEU 86 19.087 2.176 2.294 639 H MET 87 H MET 87 14.245 0.633 0.369 640 HA MET 87 HA MET 87 14.252 2.431 -1.856 641 HB2 MET 87 HB2 MET 87 12.300 0.220 -1.232 642 HB3 MET 87 HB3 MET 87 12.442 1.085 -2.761 643 HG2 MET 87 HG2 MET 87 14.698 0.235 -3.052 644 HG3 MET 87 HG3 MET 87 14.595 -0.597 -1.506 645 HE1 MET 87 HE1 MET 87 12.458 -1.694 -5.381 646 HE2 MET 87 HE2 MET 87 13.782 -0.544 -5.213 647 HE3 MET 87 HE3 MET 87 12.187 -0.161 -4.555 648 H LEU 88 H LEU 88 12.240 1.762 0.923 649 HA LEU 88 HA LEU 88 10.541 3.947 0.202 650 HB2 LEU 88 HB2 LEU 88 9.734 3.289 2.757 651 HB3 LEU 88 HB3 LEU 88 9.014 2.750 1.265 652 HG LEU 88 HG LEU 88 9.295 0.942 2.864 653 HD11 LEU 88 HD11 LEU 88 9.201 0.312 0.604 654 HD12 LEU 88 HD12 LEU 88 10.335 -0.731 1.460 655 HD13 LEU 88 HD13 LEU 88 10.930 0.555 0.413 656 HD21 LEU 88 HD21 LEU 88 11.257 1.694 4.078 657 HD22 LEU 88 HD22 LEU 88 12.265 1.432 2.659 658 HD23 LEU 88 HD23 LEU 88 11.499 0.059 3.463 659 H SER 89 H SER 89 13.271 3.494 2.167 660 HA SER 89 HA SER 89 12.961 5.981 3.614 661 HB2 SER 89 HB2 SER 89 15.433 4.301 3.132 662 HB3 SER 89 HB3 SER 89 15.232 5.553 4.364 663 HG SER 89 HG SER 89 14.533 2.957 4.449 664 H ARG 90 H ARG 90 14.668 4.880 0.693 665 HA ARG 90 HA ARG 90 15.387 5.843 -1.088 666 HB2 ARG 90 HB2 ARG 90 13.221 7.471 -0.309 667 HB3 ARG 90 HB3 ARG 90 14.471 8.497 -1.020 668 HG2 ARG 90 HG2 ARG 90 13.655 5.945 -2.183 669 HG3 ARG 90 HG3 ARG 90 12.780 7.441 -2.563 670 HD2 ARG 90 HD2 ARG 90 15.764 7.270 -2.771 671 HD3 ARG 90 HD3 ARG 90 14.816 6.608 -4.080 672 HE ARG 90 HE ARG 90 14.035 8.763 -4.623 673 HH11 ARG 90 HH11 ARG 90 16.501 9.070 -1.968 674 HH12 ARG 90 HH12 ARG 90 16.760 10.710 -2.384 675 HH21 ARG 90 HH21 ARG 90 14.610 11.018 -5.042 676 HH22 ARG 90 HH22 ARG 90 15.799 11.728 -4.001 677 H SER 91 H SER 91 16.165 7.092 1.736 678 HA SER 91 HA SER 91 17.910 8.230 2.638 679 HB2 SER 91 HB2 SER 91 19.143 8.001 -0.127 680 HB3 SER 91 HB3 SER 91 20.026 8.504 1.322 681 HG SER 91 HG SER 91 20.161 6.222 0.594 682 HA PRO 92 HA PRO 92 15.450 11.941 1.619 683 HB2 PRO 92 HB2 PRO 92 17.197 12.567 3.970 684 HB3 PRO 92 HB3 PRO 92 15.527 13.097 3.647 685 HG2 PRO 92 HG2 PRO 92 15.846 11.091 5.235 686 HG3 PRO 92 HG3 PRO 92 14.644 11.000 3.920 687 HD2 PRO 92 HD2 PRO 92 17.289 9.655 4.115 688 HD3 PRO 92 HD3 PRO 92 15.776 9.069 3.378 689 H GLU 93 H GLU 93 15.773 13.869 0.864 690 HA GLU 93 HA GLU 93 18.165 14.274 -0.620 691 HB2 GLU 93 HB2 GLU 93 15.603 15.875 -0.528 692 HB3 GLU 93 HB3 GLU 93 16.942 16.202 -1.612 693 HG2 GLU 93 HG2 GLU 93 15.258 13.693 -1.582 694 HG3 GLU 93 HG3 GLU 93 15.134 15.006 -2.744 Start of MODEL 11 1 H ASP 14 HT1 ASP 14 9.708 6.038 2.226 2 HA ASP 14 HA ASP 14 8.690 8.086 0.354 3 HB2 ASP 14 HB2 ASP 14 10.732 6.528 -0.219 4 HB3 ASP 14 HB3 ASP 14 9.548 5.231 -0.237 5 H ASN 15 H ASN 15 7.394 5.960 -1.082 6 HA ASN 15 HA ASN 15 5.389 4.850 0.706 7 HB2 ASN 15 HB2 ASN 15 3.504 5.849 -0.460 8 HB3 ASN 15 HB3 ASN 15 4.474 7.113 0.247 9 HD21 ASN 15 HD21 ASN 15 6.471 7.041 -2.154 10 HD22 ASN 15 HD22 ASN 15 5.573 7.811 -3.380 11 H ARG 16 H ARG 16 5.213 5.293 -2.668 12 HA ARG 16 HA ARG 16 4.622 2.499 -2.772 13 HB2 ARG 16 HB2 ARG 16 4.151 4.736 -4.691 14 HB3 ARG 16 HB3 ARG 16 3.589 3.070 -4.903 15 HG2 ARG 16 HG2 ARG 16 2.216 3.157 -3.001 16 HG3 ARG 16 HG3 ARG 16 3.002 4.615 -2.410 17 HD2 ARG 16 HD2 ARG 16 1.993 5.921 -4.202 18 HD3 ARG 16 HD3 ARG 16 1.347 4.464 -4.952 19 HE ARG 16 HE ARG 16 -0.160 4.238 -3.143 20 HH11 ARG 16 HH11 ARG 16 1.591 7.325 -2.964 21 HH12 ARG 16 HH12 ARG 16 0.314 8.210 -2.304 22 HH21 ARG 16 HH21 ARG 16 -1.965 5.464 -2.162 23 HH22 ARG 16 HH22 ARG 16 -1.769 7.114 -1.814 24 H HIS 17 H HIS 17 7.402 4.286 -3.316 25 HA HIS 17 HA HIS 17 8.248 3.121 -5.672 26 HB2 HIS 17 HB2 HIS 17 9.722 4.634 -3.600 27 HB3 HIS 17 HB3 HIS 17 10.607 3.807 -4.886 28 HD1 HIS 17 HD1 HIS 17 9.472 6.997 -4.248 29 HD2 HIS 17 HD2 HIS 17 9.059 4.379 -7.450 30 HE1 HIS 17 HE1 HIS 17 8.926 8.454 -6.272 31 H ALA 18 H ALA 18 8.125 1.662 -2.686 32 HA ALA 18 HA ALA 18 10.089 -0.262 -3.100 33 HB1 ALA 18 HB1 ALA 18 8.870 -0.043 -0.994 34 HB2 ALA 18 HB2 ALA 18 8.971 -1.683 -1.620 35 HB3 ALA 18 HB3 ALA 18 7.440 -0.786 -1.757 36 H ALA 19 H ALA 19 7.225 0.340 -4.848 37 HA ALA 19 HA ALA 19 6.666 -2.142 -5.986 38 HB1 ALA 19 HB1 ALA 19 5.205 -0.193 -6.265 39 HB2 ALA 19 HB2 ALA 19 5.655 -0.881 -7.827 40 HB3 ALA 19 HB3 ALA 19 6.439 0.590 -7.251 41 H ASP 20 H ASP 20 9.273 0.201 -6.579 42 HA ASP 20 HA ASP 20 10.115 -0.733 -8.979 43 HB2 ASP 20 HB2 ASP 20 11.548 0.640 -6.755 44 HB3 ASP 20 HB3 ASP 20 12.570 -0.165 -7.933 45 H TYR 21 H TYR 21 10.876 -1.800 -5.715 46 HA TYR 21 HA TYR 21 12.733 -3.876 -6.103 47 HB2 TYR 21 HB2 TYR 21 12.573 -3.344 -3.859 48 HB3 TYR 21 HB3 TYR 21 10.829 -3.138 -3.921 49 HD1 TYR 21 HD1 TYR 21 13.372 -5.886 -4.233 50 HD2 TYR 21 HD2 TYR 21 9.555 -4.682 -2.814 51 HE1 TYR 21 HE1 TYR 21 13.027 -8.104 -3.285 52 HE2 TYR 21 HE2 TYR 21 9.207 -6.896 -1.840 53 HH TYR 21 HH TYR 21 11.667 -9.210 -1.503 54 H GLN 22 H GLN 22 9.279 -3.972 -6.506 55 HA GLN 22 HA GLN 22 8.957 -6.789 -6.418 56 HB2 GLN 22 HB2 GLN 22 7.274 -4.918 -8.096 57 HB3 GLN 22 HB3 GLN 22 6.777 -6.422 -7.336 58 HG2 GLN 22 HG2 GLN 22 7.533 -3.909 -5.865 59 HG3 GLN 22 HG3 GLN 22 5.879 -4.402 -6.212 60 HE21 GLN 22 HE21 GLN 22 7.323 -3.862 -3.720 61 HE22 GLN 22 HE22 GLN 22 7.133 -5.272 -2.745 62 H GLN 23 H GLN 23 9.521 -4.512 -9.067 63 HA GLN 23 HA GLN 23 9.549 -6.448 -11.179 64 HB2 GLN 23 HB2 GLN 23 10.863 -3.744 -11.065 65 HB3 GLN 23 HB3 GLN 23 10.612 -4.700 -12.507 66 HG2 GLN 23 HG2 GLN 23 8.186 -4.444 -12.213 67 HG3 GLN 23 HG3 GLN 23 8.493 -3.421 -10.802 68 HE21 GLN 23 HE21 GLN 23 7.602 -1.602 -11.733 69 HE22 GLN 23 HE22 GLN 23 8.363 -0.748 -13.026 70 H LEU 24 H LEU 24 11.870 -5.035 -9.061 71 HA LEU 24 HA LEU 24 14.300 -5.588 -10.306 72 HB2 LEU 24 HB2 LEU 24 13.747 -4.136 -8.311 73 HB3 LEU 24 HB3 LEU 24 13.748 -5.584 -7.335 74 HG LEU 24 HG LEU 24 16.132 -4.338 -8.738 75 HD11 LEU 24 HD11 LEU 24 15.368 -4.545 -5.842 76 HD12 LEU 24 HD12 LEU 24 15.404 -3.082 -6.827 77 HD13 LEU 24 HD13 LEU 24 16.903 -3.933 -6.444 78 HD21 LEU 24 HD21 LEU 24 17.513 -5.969 -7.538 79 HD22 LEU 24 HD22 LEU 24 16.398 -6.783 -8.635 80 HD23 LEU 24 HD23 LEU 24 16.061 -6.746 -6.906 81 H ARG 25 H ARG 25 12.609 -7.457 -7.789 82 HA ARG 25 HA ARG 25 14.533 -9.538 -7.767 83 HB2 ARG 25 HB2 ARG 25 13.015 -10.717 -6.261 84 HB3 ARG 25 HB3 ARG 25 13.108 -9.011 -5.835 85 HG2 ARG 25 HG2 ARG 25 11.061 -8.551 -6.823 86 HG3 ARG 25 HG3 ARG 25 10.975 -10.160 -7.519 87 HD2 ARG 25 HD2 ARG 25 10.953 -11.041 -5.174 88 HD3 ARG 25 HD3 ARG 25 10.720 -9.356 -4.650 89 HE ARG 25 HE ARG 25 9.078 -10.607 -6.682 90 HH11 ARG 25 HH11 ARG 25 9.186 -9.152 -3.461 91 HH12 ARG 25 HH12 ARG 25 7.618 -8.469 -3.593 92 HH21 ARG 25 HH21 ARG 25 7.077 -9.711 -6.874 93 HH22 ARG 25 HH22 ARG 25 6.315 -8.803 -5.611 94 H GLU 26 H GLU 26 11.320 -9.268 -9.315 95 HA GLU 26 HA GLU 26 11.117 -11.860 -10.212 96 HB2 GLU 26 HB2 GLU 26 9.820 -9.321 -10.854 97 HB3 GLU 26 HB3 GLU 26 9.792 -10.506 -12.152 98 HG2 GLU 26 HG2 GLU 26 7.806 -10.738 -10.857 99 HG3 GLU 26 HG3 GLU 26 8.802 -12.150 -10.613 100 H ARG 27 H ARG 27 12.841 -9.172 -11.597 101 HA ARG 27 HA ARG 27 13.410 -10.563 -14.040 102 HB2 ARG 27 HB2 ARG 27 14.505 -8.031 -12.918 103 HB3 ARG 27 HB3 ARG 27 15.000 -8.713 -14.471 104 HG2 ARG 27 HG2 ARG 27 12.629 -8.713 -15.170 105 HG3 ARG 27 HG3 ARG 27 12.231 -7.882 -13.665 106 HD2 ARG 27 HD2 ARG 27 14.113 -6.985 -15.755 107 HD3 ARG 27 HD3 ARG 27 12.468 -6.352 -15.536 108 HE ARG 27 HE ARG 27 14.694 -6.082 -13.632 109 HH11 ARG 27 HH11 ARG 27 11.684 -4.811 -14.996 110 HH12 ARG 27 HH12 ARG 27 11.605 -3.432 -14.021 111 HH21 ARG 27 HH21 ARG 27 14.662 -4.163 -12.284 112 HH22 ARG 27 HH22 ARG 27 13.407 -3.040 -12.452 113 H LEU 28 H LEU 28 14.972 -10.304 -10.978 114 HA LEU 28 HA LEU 28 17.438 -11.408 -11.888 115 HB2 LEU 28 HB2 LEU 28 16.216 -11.104 -9.164 116 HB3 LEU 28 HB3 LEU 28 17.724 -11.973 -9.393 117 HG LEU 28 HG LEU 28 17.293 -9.113 -10.232 118 HD11 LEU 28 HD11 LEU 28 18.632 -8.501 -8.330 119 HD12 LEU 28 HD12 LEU 28 18.723 -10.191 -7.805 120 HD13 LEU 28 HD13 LEU 28 17.172 -9.337 -7.801 121 HD21 LEU 28 HD21 LEU 28 19.738 -10.866 -10.067 122 HD22 LEU 28 HD22 LEU 28 19.732 -9.131 -10.417 123 HD23 LEU 28 HD23 LEU 28 18.948 -10.255 -11.528 124 H ILE 29 H ILE 29 14.558 -12.689 -10.445 125 HA ILE 29 HA ILE 29 15.170 -15.351 -10.305 126 HB ILE 29 HB ILE 29 12.790 -13.703 -10.395 127 HG12 ILE 29 HG12 ILE 29 12.107 -15.161 -8.605 128 HG13 ILE 29 HG11 ILE 29 13.419 -16.266 -8.985 129 HG21 ILE 29 HG21 ILE 29 11.143 -15.449 -10.810 130 HG22 ILE 29 HG22 ILE 29 12.431 -16.519 -11.375 131 HG23 ILE 29 HG23 ILE 29 12.064 -15.037 -12.259 132 HD11 ILE 29 HD11 ILE 29 13.950 -14.883 -7.089 133 HD12 ILE 29 HD12 ILE 29 13.702 -13.433 -8.085 134 HD13 ILE 29 HD13 ILE 29 15.024 -14.550 -8.456 135 H GLN 30 H GLN 30 14.565 -13.504 -13.160 136 HA GLN 30 HA GLN 30 14.004 -15.680 -14.906 137 HB2 GLN 30 HB2 GLN 30 15.221 -13.050 -15.708 138 HB3 GLN 30 HB3 GLN 30 14.206 -14.116 -16.673 139 HG2 GLN 30 HG2 GLN 30 12.366 -13.662 -15.015 140 HG3 GLN 30 HG3 GLN 30 13.460 -12.471 -14.326 141 HE21 GLN 30 HE21 GLN 30 11.552 -13.265 -17.134 142 HE22 GLN 30 HE22 GLN 30 11.558 -11.674 -17.821 143 H GLU 31 H GLU 31 16.906 -13.812 -14.140 144 HA GLU 31 HA GLU 31 18.613 -15.291 -15.906 145 HB2 GLU 31 HB2 GLU 31 19.473 -13.681 -13.494 146 HB3 GLU 31 HB3 GLU 31 20.449 -14.104 -14.890 147 HG2 GLU 31 HG2 GLU 31 18.897 -12.706 -16.276 148 HG3 GLU 31 HG3 GLU 31 18.151 -12.217 -14.746 149 H LEU 32 H LEU 32 17.665 -15.505 -12.568 150 HA LEU 32 HA LEU 32 19.643 -17.385 -11.855 151 HB2 LEU 32 HB2 LEU 32 17.149 -16.524 -10.385 152 HB3 LEU 32 HB3 LEU 32 18.441 -17.503 -9.722 153 HG LEU 32 HG LEU 32 18.610 -14.674 -10.658 154 HD11 LEU 32 HD11 LEU 32 18.782 -15.839 -7.885 155 HD12 LEU 32 HD12 LEU 32 17.468 -14.861 -8.550 156 HD13 LEU 32 HD13 LEU 32 19.061 -14.147 -8.302 157 HD21 LEU 32 HD21 LEU 32 20.693 -15.715 -11.146 158 HD22 LEU 32 HD22 LEU 32 20.800 -16.422 -9.532 159 HD23 LEU 32 HD23 LEU 32 20.925 -14.678 -9.751 160 H ASN 33 H ASN 33 16.656 -17.653 -13.480 161 HA ASN 33 HA ASN 33 15.267 -19.357 -14.095 162 HB2 ASN 33 HB2 ASN 33 17.744 -21.005 -13.452 163 HB3 ASN 33 HB3 ASN 33 16.297 -21.702 -14.167 164 HD21 ASN 33 HD21 ASN 33 19.004 -19.563 -14.681 165 HD22 ASN 33 HD22 ASN 33 18.858 -19.510 -16.403 166 H LEU 34 H LEU 34 14.961 -18.375 -11.668 167 HA LEU 34 HA LEU 34 14.460 -20.617 -9.815 168 HB2 LEU 34 HB2 LEU 34 16.331 -19.048 -9.295 169 HB3 LEU 34 HB3 LEU 34 15.175 -17.739 -9.297 170 HG LEU 34 HG LEU 34 14.088 -18.812 -7.330 171 HD11 LEU 34 HD11 LEU 34 16.545 -20.559 -7.436 172 HD12 LEU 34 HD12 LEU 34 14.881 -21.092 -7.680 173 HD13 LEU 34 HD13 LEU 34 15.391 -20.483 -6.104 174 HD21 LEU 34 HD21 LEU 34 16.999 -18.101 -7.075 175 HD22 LEU 34 HD22 LEU 34 15.769 -17.981 -5.804 176 HD23 LEU 34 HD23 LEU 34 15.673 -16.959 -7.248 177 H THR 35 H THR 35 12.717 -19.674 -8.107 178 HA THR 35 HA THR 35 10.784 -18.047 -9.522 179 HB THR 35 HB THR 35 9.146 -19.141 -7.842 180 HG1 THR 35 HG1 THR 35 10.448 -21.443 -7.647 181 HG21 THR 35 HG21 THR 35 8.833 -21.146 -9.238 182 HG22 THR 35 HG22 THR 35 10.425 -20.894 -9.951 183 HG23 THR 35 HG23 THR 35 9.139 -19.720 -10.228 184 HA PRO 36 HA PRO 36 11.644 -14.934 -6.554 185 HB2 PRO 36 HB2 PRO 36 8.761 -14.478 -6.065 186 HB3 PRO 36 HB3 PRO 36 10.000 -13.381 -6.721 187 HG2 PRO 36 HG2 PRO 36 8.129 -14.413 -8.301 188 HG3 PRO 36 HG3 PRO 36 9.789 -14.132 -8.858 189 HD2 PRO 36 HD2 PRO 36 8.476 -16.689 -8.092 190 HD3 PRO 36 HD3 PRO 36 9.646 -16.351 -9.384 191 H GLN 37 H GLN 37 9.383 -17.332 -5.653 192 HA GLN 37 HA GLN 37 9.435 -16.745 -2.825 193 HB2 GLN 37 HB2 GLN 37 8.197 -19.070 -4.321 194 HB3 GLN 37 HB3 GLN 37 8.025 -18.787 -2.601 195 HG2 GLN 37 HG2 GLN 37 6.014 -18.070 -3.666 196 HG3 GLN 37 HG3 GLN 37 6.877 -16.631 -3.144 197 HE21 GLN 37 HE21 GLN 37 5.810 -15.332 -4.620 198 HE22 GLN 37 HE22 GLN 37 6.128 -15.400 -6.317 199 H GLN 38 H GLN 38 11.640 -18.116 -4.834 200 HA GLN 38 HA GLN 38 12.602 -19.895 -2.724 201 HB2 GLN 38 HB2 GLN 38 12.848 -20.176 -5.716 202 HB3 GLN 38 HB3 GLN 38 13.796 -21.115 -4.582 203 HG2 GLN 38 HG2 GLN 38 10.785 -21.086 -4.621 204 HG3 GLN 38 HG3 GLN 38 11.777 -22.297 -5.431 205 HE21 GLN 38 HE21 GLN 38 10.775 -21.024 -2.314 206 HE22 GLN 38 HE22 GLN 38 11.265 -22.419 -1.416 207 H LEU 39 H LEU 39 13.073 -16.932 -3.524 208 HA LEU 39 HA LEU 39 15.967 -17.204 -3.691 209 HB2 LEU 39 HB2 LEU 39 16.162 -14.974 -4.428 210 HB3 LEU 39 HB3 LEU 39 14.715 -15.520 -5.225 211 HG LEU 39 HG LEU 39 13.443 -14.315 -3.336 212 HD11 LEU 39 HD11 LEU 39 15.487 -13.962 -1.866 213 HD12 LEU 39 HD12 LEU 39 14.675 -12.447 -2.236 214 HD13 LEU 39 HD13 LEU 39 16.146 -12.906 -3.093 215 HD21 LEU 39 HD21 LEU 39 13.502 -13.511 -5.648 216 HD22 LEU 39 HD22 LEU 39 15.060 -12.755 -5.357 217 HD23 LEU 39 HD23 LEU 39 13.630 -12.158 -4.524 218 H HIS 40 H HIS 40 17.201 -15.866 -2.143 219 HA HIS 40 HA HIS 40 15.917 -16.255 0.416 220 HB2 HIS 40 HB2 HIS 40 18.803 -16.052 -0.339 221 HB3 HIS 40 HB3 HIS 40 18.148 -16.031 1.293 222 HD1 HIS 40 HD1 HIS 40 17.567 -18.216 2.384 223 HD2 HIS 40 HD2 HIS 40 18.363 -18.609 -1.676 224 HE1 HIS 40 HE1 HIS 40 17.670 -20.701 1.921 225 H GLU 41 H GLU 41 15.051 -14.605 1.271 226 HA GLU 41 HA GLU 41 16.041 -11.909 0.883 227 HB2 GLU 41 HB2 GLU 41 13.645 -13.017 2.335 228 HB3 GLU 41 HB3 GLU 41 14.095 -11.321 2.443 229 HG2 GLU 41 HG2 GLU 41 13.535 -12.752 -0.150 230 HG3 GLU 41 HG3 GLU 41 12.333 -11.826 0.747 231 H GLU 42 H GLU 42 16.471 -14.435 3.044 232 HA GLU 42 HA GLU 42 17.569 -12.668 5.078 233 HB2 GLU 42 HB2 GLU 42 17.896 -15.088 6.238 234 HB3 GLU 42 HB3 GLU 42 16.449 -14.126 6.420 235 HG2 GLU 42 HG2 GLU 42 16.130 -16.603 5.967 236 HG3 GLU 42 HG3 GLU 42 15.222 -15.503 4.943 237 H SER 43 H SER 43 18.469 -15.122 2.802 238 HA SER 43 HA SER 43 21.187 -15.151 3.728 239 HB2 SER 43 HB2 SER 43 19.902 -16.412 1.342 240 HB3 SER 43 HB3 SER 43 21.573 -16.653 1.793 241 HG SER 43 HG SER 43 19.317 -17.334 3.451 242 H ASN 44 H ASN 44 22.886 -14.953 2.038 243 HA ASN 44 HA ASN 44 22.745 -12.217 1.172 244 HB2 ASN 44 HB2 ASN 44 24.713 -13.258 2.389 245 HB3 ASN 44 HB3 ASN 44 25.038 -14.148 0.905 246 HD21 ASN 44 HD21 ASN 44 25.300 -11.165 2.537 247 HD22 ASN 44 HD22 ASN 44 26.189 -10.355 1.296 248 H LEU 45 H LEU 45 22.437 -11.534 -0.818 249 HA LEU 45 HA LEU 45 21.718 -13.300 -2.869 250 HB2 LEU 45 HB2 LEU 45 22.354 -10.375 -3.058 251 HB3 LEU 45 HB3 LEU 45 21.613 -11.322 -4.326 252 HG LEU 45 HG LEU 45 20.418 -10.733 -1.628 253 HD11 LEU 45 HD11 LEU 45 18.870 -9.349 -2.871 254 HD12 LEU 45 HD12 LEU 45 19.681 -9.757 -4.376 255 HD13 LEU 45 HD13 LEU 45 20.527 -8.809 -3.149 256 HD21 LEU 45 HD21 LEU 45 18.373 -11.747 -2.557 257 HD22 LEU 45 HD22 LEU 45 19.684 -12.914 -2.430 258 HD23 LEU 45 HD23 LEU 45 19.272 -12.218 -4.000 259 H ILE 46 H ILE 46 24.872 -12.076 -2.045 260 HA ILE 46 HA ILE 46 25.893 -12.285 -4.736 261 HB ILE 46 HB ILE 46 27.565 -12.156 -2.188 262 HG12 ILE 46 HG12 ILE 46 25.998 -10.263 -2.129 263 HG13 ILE 46 HG11 ILE 46 27.634 -9.700 -2.422 264 HG21 ILE 46 HG21 ILE 46 28.832 -12.705 -4.195 265 HG22 ILE 46 HG22 ILE 46 29.249 -11.078 -3.650 266 HG23 ILE 46 HG23 ILE 46 28.172 -11.299 -5.026 267 HD11 ILE 46 HD11 ILE 46 26.076 -8.465 -3.772 268 HD12 ILE 46 HD12 ILE 46 25.409 -9.953 -4.425 269 HD13 ILE 46 HD13 ILE 46 27.065 -9.480 -4.829 270 H GLN 47 H GLN 47 25.073 -14.409 -2.311 271 HA GLN 47 HA GLN 47 26.986 -16.453 -2.951 272 HB2 GLN 47 HB2 GLN 47 24.506 -16.510 -1.264 273 HB3 GLN 47 HB3 GLN 47 25.593 -17.880 -1.443 274 HG2 GLN 47 HG2 GLN 47 26.296 -15.201 -0.263 275 HG3 GLN 47 HG3 GLN 47 25.988 -16.678 0.654 276 HE21 GLN 47 HE21 GLN 47 27.545 -18.342 0.551 277 HE22 GLN 47 HE22 GLN 47 29.166 -17.999 0.031 278 H ALA 48 H ALA 48 24.298 -15.212 -4.375 279 HA ALA 48 HA ALA 48 23.408 -17.720 -5.577 280 HB1 ALA 48 HB1 ALA 48 22.256 -14.924 -5.776 281 HB2 ALA 48 HB2 ALA 48 21.635 -16.220 -4.754 282 HB3 ALA 48 HB3 ALA 48 21.561 -16.370 -6.510 283 H GLY 49 H GLY 49 22.811 -17.110 -8.116 284 HA2 GLY 49 HA2 GLY 49 25.481 -16.661 -9.136 285 HA3 GLY 49 HA3 GLY 49 24.098 -17.233 -10.055 286 H LEU 50 H LEU 50 25.687 -14.437 -8.741 287 HA LEU 50 HA LEU 50 24.737 -13.023 -10.998 288 HB2 LEU 50 HB2 LEU 50 24.138 -10.979 -9.729 289 HB3 LEU 50 HB3 LEU 50 23.070 -12.326 -9.457 290 HG LEU 50 HG LEU 50 24.428 -12.661 -7.278 291 HD11 LEU 50 HD11 LEU 50 25.037 -9.765 -7.855 292 HD12 LEU 50 HD12 LEU 50 26.233 -11.061 -7.806 293 HD13 LEU 50 HD13 LEU 50 25.366 -10.602 -6.340 294 HD21 LEU 50 HD21 LEU 50 22.592 -10.335 -7.704 295 HD22 LEU 50 HD22 LEU 50 22.931 -11.105 -6.143 296 HD23 LEU 50 HD23 LEU 50 22.127 -12.013 -7.439 297 H ASP 51 H ASP 51 25.980 -10.726 -10.933 298 HA ASP 51 HA ASP 51 28.706 -11.308 -10.105 299 HB2 ASP 51 HB2 ASP 51 29.425 -10.297 -12.336 300 HB3 ASP 51 HB3 ASP 51 28.693 -11.886 -12.415 301 H 4HJ 52 H 4HJ 52 29.116 -8.697 -11.842 302 HA 4HJ 52 HA 4HJ 52 28.923 -6.857 -9.550 303 HAA 4HJ 52 HAA 4HJ 52 29.134 -8.897 -7.086 304 HB3 4HJ 52 HB3 4HJ 52 30.538 -5.675 -10.769 305 HB2 4HJ 52 HB2 4HJ 52 31.205 -7.250 -10.328 306 HZ1 4HJ 52 HZ1 4HJ 52 29.977 -11.199 -6.975 307 HZ2 4HJ 52 HZ2 4HJ 52 30.587 -7.068 -7.913 308 HZ 4HJ 52 HZ 4HJ 52 33.239 -12.019 -8.069 309 HJ2 4HJ 52 HJ2 4HJ 52 31.254 -3.660 -12.174 310 HJ3 4HJ 52 HJ3 4HJ 52 32.949 -3.380 -12.554 311 HL12 4HJ 52 HL12 4HJ 52 30.521 -3.694 -9.732 312 HL11 4HJ 52 HL11 4HJ 52 31.620 -3.296 -8.446 313 HL13 4HJ 52 HL13 4HJ 52 31.808 -4.816 -9.402 314 HL22 4HJ 52 HL22 4HJ 52 32.227 -1.185 -11.524 315 HL21 4HJ 52 HL21 4HJ 52 31.906 -1.083 -9.741 316 HL23 4HJ 52 HL23 4HJ 52 30.745 -1.795 -10.827 317 HM 4HJ 52 HM 4HJ 52 34.557 -1.924 -8.551 318 HN 4HJ 52 HN 4HJ 52 33.764 -3.529 -7.161 319 HL3 4HJ 52 HL3 4HJ 52 34.609 -3.006 -10.848 320 HO2 4HJ 52 HO2 4HJ 52 36.625 -3.835 -7.579 321 HO3 4HJ 52 HO3 4HJ 52 36.087 -2.133 -7.547 322 HP2 4HJ 52 HP2 4HJ 52 36.893 -2.714 -5.364 323 HP3 4HJ 52 HP3 4HJ 52 35.143 -2.678 -5.267 324 HS2 4HJ 52 HS2 4HJ 52 36.785 -6.847 -6.403 325 HS3 4HJ 52 HS3 4HJ 52 35.838 -5.932 -7.630 326 HT3 4HJ 52 HT3 4HJ 52 33.940 -7.340 -7.123 327 HT2 4HJ 52 HT2 4HJ 52 34.889 -8.260 -5.973 328 HY2 4HJ 52 HY2 4HJ 52 32.889 -7.520 -8.638 329 HR 4HJ 52 HR 4HJ 52 34.372 -5.695 -5.374 330 H ILE 53 H ILE 53 29.043 -6.750 -12.892 331 HA ILE 53 HA ILE 53 27.666 -4.483 -13.430 332 HB ILE 53 HB ILE 53 28.947 -6.186 -14.943 333 HG12 ILE 53 HG12 ILE 53 28.259 -3.989 -15.619 334 HG13 ILE 53 HG11 ILE 53 28.198 -5.159 -16.937 335 HG21 ILE 53 HG21 ILE 53 27.450 -8.050 -14.843 336 HG22 ILE 53 HG22 ILE 53 27.569 -7.467 -16.504 337 HG23 ILE 53 HG23 ILE 53 26.146 -7.085 -15.535 338 HD11 ILE 53 HD11 ILE 53 25.836 -4.036 -15.413 339 HD12 ILE 53 HD12 ILE 53 25.731 -5.249 -16.678 340 HD13 ILE 53 HD13 ILE 53 26.290 -3.615 -17.067 341 H ARG 54 H ARG 54 26.178 -7.675 -12.824 342 HA ARG 54 HA ARG 54 23.434 -7.205 -13.261 343 HB2 ARG 54 HB2 ARG 54 25.024 -8.953 -11.517 344 HB3 ARG 54 HB3 ARG 54 23.451 -8.539 -10.856 345 HG2 ARG 54 HG2 ARG 54 23.378 -10.627 -12.106 346 HG3 ARG 54 HG3 ARG 54 22.365 -9.395 -12.851 347 HD2 ARG 54 HD2 ARG 54 24.260 -8.923 -14.421 348 HD3 ARG 54 HD3 ARG 54 25.083 -10.324 -13.742 349 HE ARG 54 HE ARG 54 22.393 -10.706 -14.782 350 HH11 ARG 54 HH11 ARG 54 25.870 -11.357 -15.119 351 HH12 ARG 54 HH12 ARG 54 25.698 -12.349 -16.468 352 HH21 ARG 54 HH21 ARG 54 22.128 -11.966 -16.575 353 HH22 ARG 54 HH22 ARG 54 23.436 -12.761 -17.373 354 H LEU 55 H LEU 55 25.406 -6.275 -10.520 355 HA LEU 55 HA LEU 55 23.293 -5.135 -8.967 356 HB2 LEU 55 HB2 LEU 55 26.293 -4.892 -8.848 357 HB3 LEU 55 HB3 LEU 55 25.211 -4.203 -7.661 358 HG LEU 55 HG LEU 55 25.171 -7.165 -8.191 359 HD11 LEU 55 HD11 LEU 55 26.805 -7.418 -6.395 360 HD12 LEU 55 HD12 LEU 55 26.985 -5.672 -6.293 361 HD13 LEU 55 HD13 LEU 55 27.512 -6.527 -7.739 362 HD21 LEU 55 HD21 LEU 55 23.391 -6.133 -6.841 363 HD22 LEU 55 HD22 LEU 55 24.631 -5.474 -5.760 364 HD23 LEU 55 HD23 LEU 55 24.416 -7.212 -5.884 365 H MET 56 H MET 56 25.792 -3.932 -11.147 366 HA MET 56 HA MET 56 25.421 -1.172 -10.737 367 HB2 MET 56 HB2 MET 56 26.422 -2.687 -13.137 368 HB3 MET 56 HB3 MET 56 26.254 -0.948 -13.167 369 HG2 MET 56 HG2 MET 56 28.559 -1.621 -12.759 370 HG3 MET 56 HG3 MET 56 27.908 -0.727 -11.399 371 HE1 MET 56 HE1 MET 56 28.298 -1.509 -8.994 372 HE2 MET 56 HE2 MET 56 28.062 -3.182 -8.483 373 HE3 MET 56 HE3 MET 56 26.743 -2.301 -9.255 374 H ARG 57 H ARG 57 23.803 -3.397 -12.847 375 HA ARG 57 HA ARG 57 22.133 -1.739 -14.355 376 HB2 ARG 57 HB2 ARG 57 21.500 -4.356 -13.114 377 HB3 ARG 57 HB3 ARG 57 20.583 -3.569 -14.390 378 HG2 ARG 57 HG2 ARG 57 22.686 -3.604 -15.757 379 HG3 ARG 57 HG3 ARG 57 23.360 -4.668 -14.512 380 HD2 ARG 57 HD2 ARG 57 20.886 -4.937 -15.956 381 HD3 ARG 57 HD3 ARG 57 22.336 -5.914 -16.351 382 HE ARG 57 HE ARG 57 21.295 -6.049 -13.620 383 HH11 ARG 57 HH11 ARG 57 21.430 -7.831 -16.725 384 HH12 ARG 57 HH12 ARG 57 20.865 -9.287 -16.031 385 HH21 ARG 57 HH21 ARG 57 20.480 -8.072 -12.751 386 HH22 ARG 57 HH22 ARG 57 20.346 -9.420 -13.780 387 H TRP 58 H TRP 58 21.761 -3.122 -11.137 388 HA TRP 58 HA TRP 58 19.133 -2.176 -10.586 389 HB2 TRP 58 HB2 TRP 58 21.260 -3.090 -8.657 390 HB3 TRP 58 HB3 TRP 58 19.528 -2.906 -8.344 391 HD1 TRP 58 HD1 TRP 58 21.467 -5.690 -8.451 392 HE1 TRP 58 HE1 TRP 58 20.571 -7.656 -9.771 393 HE3 TRP 58 HE3 TRP 58 17.828 -3.262 -11.256 394 HZ2 TRP 58 HZ2 TRP 58 18.604 -8.130 -11.772 395 HZ3 TRP 58 HZ3 TRP 58 16.520 -4.575 -12.809 396 HH2 TRP 58 HH2 TRP 58 16.878 -6.964 -13.064 397 H LEU 59 H LEU 59 22.265 -0.933 -9.628 398 HA LEU 59 HA LEU 59 21.463 1.322 -8.199 399 HB2 LEU 59 HB2 LEU 59 23.778 0.908 -10.047 400 HB3 LEU 59 HB3 LEU 59 23.481 2.482 -9.359 401 HG LEU 59 HG LEU 59 25.191 1.262 -8.185 402 HD11 LEU 59 HD11 LEU 59 22.696 1.584 -6.537 403 HD12 LEU 59 HD12 LEU 59 23.781 2.879 -7.030 404 HD13 LEU 59 HD13 LEU 59 24.367 1.619 -5.937 405 HD21 LEU 59 HD21 LEU 59 24.407 -0.957 -8.604 406 HD22 LEU 59 HD22 LEU 59 22.994 -0.678 -7.612 407 HD23 LEU 59 HD23 LEU 59 24.618 -0.723 -6.856 408 H HIS 60 H HIS 60 22.197 1.156 -11.579 409 HA HIS 60 HA HIS 60 21.606 3.760 -12.334 410 HB2 HIS 60 HB2 HIS 60 22.912 1.976 -13.453 411 HB3 HIS 60 HB3 HIS 60 21.412 1.227 -13.938 412 HD1 HIS 60 HD1 HIS 60 19.783 3.330 -15.276 413 HD2 HIS 60 HD2 HIS 60 23.923 3.365 -15.496 414 HE1 HIS 60 HE1 HIS 60 20.359 4.713 -17.302 415 H TRP 61 H TRP 61 19.596 0.970 -11.867 416 HA TRP 61 HA TRP 61 17.405 1.970 -13.366 417 HB2 TRP 61 HB2 TRP 61 17.950 -0.419 -13.191 418 HB3 TRP 61 HB3 TRP 61 17.561 -0.347 -11.481 419 HD1 TRP 61 HD1 TRP 61 15.760 0.497 -14.807 420 HE1 TRP 61 HE1 TRP 61 13.272 -0.105 -14.542 421 HE3 TRP 61 HE3 TRP 61 15.881 -1.094 -9.996 422 HZ2 TRP 61 HZ2 TRP 61 11.588 -1.149 -12.503 423 HZ3 TRP 61 HZ3 TRP 61 13.807 -1.879 -8.965 424 HH2 TRP 61 HH2 TRP 61 11.716 -1.896 -10.206 425 H PHE 62 H PHE 62 18.045 1.567 -9.895 426 HA PHE 62 HA PHE 62 15.641 3.095 -9.437 427 HB2 PHE 62 HB2 PHE 62 16.410 2.807 -6.854 428 HB3 PHE 62 HB3 PHE 62 15.367 1.696 -7.720 429 HD1 PHE 62 HD2 PHE 62 18.849 2.374 -6.765 430 HD2 PHE 62 HD1 PHE 62 15.937 -0.458 -7.951 431 HE1 PHE 62 HE2 PHE 62 20.444 0.515 -6.301 432 HE2 PHE 62 HE1 PHE 62 17.478 -2.283 -7.521 433 HZ PHE 62 HZ PHE 62 19.710 -1.840 -6.758 434 H ARG 63 H ARG 63 18.841 3.977 -9.662 435 HA ARG 63 HA ARG 63 18.822 6.288 -8.150 436 HB2 ARG 63 HB2 ARG 63 20.109 5.879 -10.853 437 HB3 ARG 63 HB3 ARG 63 20.327 7.346 -9.919 438 HG2 ARG 63 HG2 ARG 63 21.137 4.567 -9.062 439 HG3 ARG 63 HG3 ARG 63 22.214 5.804 -9.697 440 HD2 ARG 63 HD2 ARG 63 20.632 5.975 -7.120 441 HD3 ARG 63 HD3 ARG 63 22.351 5.635 -7.259 442 HE ARG 63 HE ARG 63 21.293 8.139 -8.321 443 HH11 ARG 63 HH11 ARG 63 23.410 6.487 -5.943 444 HH12 ARG 63 HH12 ARG 63 24.094 7.887 -5.339 445 HH21 ARG 63 HH21 ARG 63 22.266 10.131 -7.454 446 HH22 ARG 63 HH22 ARG 63 23.423 10.037 -6.214 447 H LYS 64 H LYS 64 16.857 5.663 -10.912 448 HA LYS 64 HA LYS 64 16.002 8.045 -12.046 449 HB2 LYS 64 HB2 LYS 64 14.104 6.061 -10.910 450 HB3 LYS 64 HB3 LYS 64 13.860 7.153 -12.254 451 HG2 LYS 64 HG2 LYS 64 15.662 5.892 -13.428 452 HG3 LYS 64 HG3 LYS 64 15.551 4.713 -12.114 453 HD2 LYS 64 HD2 LYS 64 13.435 5.732 -13.802 454 HD3 LYS 64 HD3 LYS 64 14.136 4.112 -14.042 455 HE2 LYS 64 HE2 LYS 64 12.231 5.127 -11.854 456 HE3 LYS 64 HE3 LYS 64 11.997 3.740 -12.899 457 HZ1 LYS 64 HZ1 LYS 64 13.569 4.002 -10.441 458 HZ2 LYS 64 HZ2 LYS 64 14.092 2.858 -11.530 459 HZ3 LYS 64 HZ3 LYS 64 12.561 2.726 -10.835 460 H ASN 65 H ASN 65 15.175 6.553 -9.015 461 HA ASN 65 HA ASN 65 13.069 8.372 -8.282 462 HB2 ASN 65 HB2 ASN 65 14.322 6.142 -6.676 463 HB3 ASN 65 HB3 ASN 65 12.744 6.867 -6.417 464 HD21 ASN 65 HD21 ASN 65 11.792 4.827 -6.475 465 HD22 ASN 65 HD22 ASN 65 11.565 3.915 -7.902 466 H GLY 66 H GLY 66 16.327 8.592 -8.181 467 HA2 GLY 66 HA2 GLY 66 17.775 9.933 -7.023 468 HA3 GLY 66 HA3 GLY 66 16.392 10.557 -6.130 469 H TYR 67 H TYR 67 17.497 7.179 -6.320 470 HA TYR 67 HA TYR 67 17.372 7.031 -3.503 471 HB2 TYR 67 HB2 TYR 67 18.048 5.033 -5.609 472 HB3 TYR 67 HB3 TYR 67 18.481 4.697 -3.934 473 HD1 TYR 67 HD2 TYR 67 16.602 4.952 -2.187 474 HD2 TYR 67 HD1 TYR 67 15.866 4.530 -6.353 475 HE1 TYR 67 HE2 TYR 67 14.340 4.266 -1.715 476 HE2 TYR 67 HE1 TYR 67 13.586 3.827 -5.866 477 HH TYR 67 HH TYR 67 12.392 2.792 -3.958 478 H ARG 68 H ARG 68 18.800 7.140 -1.961 479 HA ARG 68 HA ARG 68 21.331 8.205 -2.370 480 HB2 ARG 68 HB2 ARG 68 19.764 8.662 -0.502 481 HB3 ARG 68 HB3 ARG 68 19.878 6.974 -0.037 482 HG2 ARG 68 HG2 ARG 68 22.411 7.611 -0.117 483 HG3 ARG 68 HG3 ARG 68 21.713 9.182 0.358 484 HD2 ARG 68 HD2 ARG 68 22.162 8.001 2.427 485 HD3 ARG 68 HD3 ARG 68 20.423 7.901 2.150 486 HE ARG 68 HE ARG 68 22.250 5.690 1.408 487 HH11 ARG 68 HH11 ARG 68 19.154 6.667 2.915 488 HH12 ARG 68 HH12 ARG 68 18.832 5.065 3.429 489 HH21 ARG 68 HH21 ARG 68 21.749 3.642 2.104 490 HH22 ARG 68 HH22 ARG 68 20.291 3.346 3.007 491 H LEU 69 H LEU 69 22.216 6.366 -3.715 492 HA LEU 69 HA LEU 69 23.121 4.223 -1.929 493 HB2 LEU 69 HB2 LEU 69 21.948 3.748 -4.638 494 HB3 LEU 69 HB3 LEU 69 22.841 2.568 -3.713 495 HG LEU 69 HG LEU 69 20.236 3.797 -2.794 496 HD11 LEU 69 HD11 LEU 69 19.254 1.636 -3.286 497 HD12 LEU 69 HD12 LEU 69 20.790 1.077 -3.949 498 HD13 LEU 69 HD13 LEU 69 19.905 2.381 -4.744 499 HD21 LEU 69 HD21 LEU 69 21.733 3.065 -0.991 500 HD22 LEU 69 HD22 LEU 69 21.784 1.447 -1.708 501 HD23 LEU 69 HD23 LEU 69 20.260 2.122 -1.115 502 H THR 70 H THR 70 24.846 3.792 -1.919 503 HA THR 70 HA THR 70 26.760 4.524 -3.999 504 HB THR 70 HB THR 70 27.340 3.604 -1.186 505 HG1 THR 70 HG1 THR 70 25.979 5.309 -0.883 506 HG21 THR 70 HG21 THR 70 29.214 3.788 -2.767 507 HG22 THR 70 HG22 THR 70 29.361 4.985 -1.481 508 HG23 THR 70 HG23 THR 70 28.792 5.472 -3.077 509 H LEU 71 H LEU 71 28.167 2.751 -4.534 510 HA LEU 71 HA LEU 71 26.831 0.354 -5.005 511 HB2 LEU 71 HB2 LEU 71 29.823 0.749 -5.031 512 HB3 LEU 71 HB3 LEU 71 28.909 -0.588 -5.709 513 HG LEU 71 HG LEU 71 29.631 0.835 -7.510 514 HD11 LEU 71 HD11 LEU 71 26.728 1.217 -6.985 515 HD12 LEU 71 HD12 LEU 71 27.475 -0.206 -7.716 516 HD13 LEU 71 HD13 LEU 71 27.517 1.347 -8.563 517 HD21 LEU 71 HD21 LEU 71 28.970 3.165 -7.743 518 HD22 LEU 71 HD22 LEU 71 29.885 2.956 -6.237 519 HD23 LEU 71 HD23 LEU 71 28.122 3.083 -6.201 520 H ARG 72 H ARG 72 28.814 1.321 -2.435 521 HA ARG 72 HA ARG 72 29.567 -1.265 -1.421 522 HB2 ARG 72 HB2 ARG 72 30.698 1.085 -1.057 523 HB3 ARG 72 HB3 ARG 72 29.545 1.251 0.251 524 HG2 ARG 72 HG2 ARG 72 31.509 -1.028 0.035 525 HG3 ARG 72 HG3 ARG 72 31.845 0.464 0.904 526 HD2 ARG 72 HD2 ARG 72 30.141 0.008 2.498 527 HD3 ARG 72 HD3 ARG 72 29.481 -1.297 1.519 528 HE ARG 72 HE ARG 72 32.073 -1.370 2.908 529 HH11 ARG 72 HH11 ARG 72 29.185 -2.999 1.651 530 HH12 ARG 72 HH12 ARG 72 29.543 -4.531 2.243 531 HH21 ARG 72 HH21 ARG 72 32.619 -3.540 3.817 532 HH22 ARG 72 HH22 ARG 72 31.557 -4.839 3.544 533 H GLU 73 H GLU 73 26.727 0.747 -1.051 534 HA GLU 73 HA GLU 73 25.820 -0.415 1.388 535 HB2 GLU 73 HB2 GLU 73 24.353 1.109 -0.779 536 HB3 GLU 73 HB3 GLU 73 23.666 0.689 0.787 537 HG2 GLU 73 HG2 GLU 73 25.313 2.039 1.919 538 HG3 GLU 73 HG3 GLU 73 26.120 2.354 0.383 539 H LEU 74 H LEU 74 25.376 -1.046 -1.992 540 HA LEU 74 HA LEU 74 23.406 -3.095 -1.789 541 HB2 LEU 74 HB2 LEU 74 25.498 -2.631 -3.933 542 HB3 LEU 74 HB3 LEU 74 24.230 -3.819 -4.053 543 HG LEU 74 HG LEU 74 23.666 -1.950 -5.396 544 HD11 LEU 74 HD11 LEU 74 21.969 -1.932 -2.929 545 HD12 LEU 74 HD12 LEU 74 21.837 -3.022 -4.310 546 HD13 LEU 74 HD13 LEU 74 21.511 -1.299 -4.515 547 HD21 LEU 74 HD21 LEU 74 23.904 -0.220 -2.943 548 HD22 LEU 74 HD22 LEU 74 23.378 0.314 -4.540 549 HD23 LEU 74 HD23 LEU 74 25.038 -0.261 -4.295 550 H TYR 75 H TYR 75 26.821 -2.982 -1.550 551 HA TYR 75 HA TYR 75 27.171 -5.863 -1.369 552 HB2 TYR 75 HB2 TYR 75 29.015 -3.529 -1.146 553 HB3 TYR 75 HB3 TYR 75 29.567 -5.159 -0.845 554 HD1 TYR 75 HD2 TYR 75 28.541 -6.741 -2.919 555 HD2 TYR 75 HD1 TYR 75 29.720 -2.700 -3.024 556 HE1 TYR 75 HE2 TYR 75 29.069 -6.981 -5.316 557 HE2 TYR 75 HE1 TYR 75 30.253 -2.888 -5.438 558 HH TYR 75 HH TYR 75 29.281 -5.551 -7.295 559 H ALA 76 H ALA 76 25.999 -3.640 0.718 560 HA ALA 76 HA ALA 76 27.643 -4.533 2.856 561 HB1 ALA 76 HB1 ALA 76 26.451 -2.889 4.303 562 HB2 ALA 76 HB2 ALA 76 25.402 -2.499 2.939 563 HB3 ALA 76 HB3 ALA 76 27.128 -2.151 2.850 564 H ALA 77 H ALA 77 24.194 -4.260 2.141 565 HA ALA 77 HA ALA 77 23.811 -6.830 3.453 566 HB1 ALA 77 HB1 ALA 77 21.611 -6.072 4.250 567 HB2 ALA 77 HB2 ALA 77 21.919 -4.469 3.583 568 HB3 ALA 77 HB3 ALA 77 22.902 -5.073 4.918 569 HA PRO 78 HA PRO 78 22.207 -6.961 -0.775 570 HB2 PRO 78 HB2 PRO 78 23.575 -9.440 -1.209 571 HB3 PRO 78 HB3 PRO 78 23.971 -7.859 -1.912 572 HG2 PRO 78 HG2 PRO 78 25.575 -9.181 -0.131 573 HG3 PRO 78 HG3 PRO 78 25.595 -7.428 -0.405 574 HD2 PRO 78 HD2 PRO 78 24.277 -8.965 1.792 575 HD3 PRO 78 HD3 PRO 78 25.138 -7.409 1.850 576 H THR 79 H THR 79 20.270 -7.326 0.370 577 HA THR 79 HA THR 79 19.162 -9.909 -0.213 578 HB THR 79 HB THR 79 17.804 -9.826 1.911 579 HG1 THR 79 HG1 THR 79 18.584 -8.504 3.608 580 HG21 THR 79 HG21 THR 79 20.768 -9.932 2.485 581 HG22 THR 79 HG22 THR 79 19.772 -11.279 1.936 582 HG23 THR 79 HG23 THR 79 19.498 -10.571 3.528 583 H LEU 80 H LEU 80 16.841 -9.475 -0.750 584 HA LEU 80 HA LEU 80 16.718 -6.797 -1.759 585 HB2 LEU 80 HB2 LEU 80 14.710 -9.006 -1.946 586 HB3 LEU 80 HB3 LEU 80 14.737 -7.476 -2.826 587 HG LEU 80 HG LEU 80 16.911 -9.485 -3.011 588 HD11 LEU 80 HD11 LEU 80 15.896 -10.118 -5.143 589 HD12 LEU 80 HD12 LEU 80 14.651 -8.903 -4.832 590 HD13 LEU 80 HD13 LEU 80 14.730 -10.353 -3.814 591 HD21 LEU 80 HD21 LEU 80 17.553 -7.237 -3.632 592 HD22 LEU 80 HD22 LEU 80 16.137 -7.110 -4.676 593 HD23 LEU 80 HD23 LEU 80 17.430 -8.240 -5.081 594 H ALA 81 H ALA 81 15.422 -8.689 0.690 595 HA ALA 81 HA ALA 81 13.418 -7.084 1.756 596 HB1 ALA 81 HB1 ALA 81 14.006 -9.254 2.721 597 HB2 ALA 81 HB2 ALA 81 13.985 -8.008 3.969 598 HB3 ALA 81 HB3 ALA 81 15.521 -8.589 3.326 599 H ALA 82 H ALA 82 16.944 -6.775 2.213 600 HA ALA 82 HA ALA 82 16.743 -4.432 3.831 601 HB1 ALA 82 HB1 ALA 82 19.160 -4.244 3.549 602 HB2 ALA 82 HB2 ALA 82 19.116 -5.474 2.285 603 HB3 ALA 82 HB3 ALA 82 18.707 -5.902 3.947 604 H TRP 83 H TRP 83 17.027 -5.085 0.435 605 HA TRP 83 HA TRP 83 17.556 -2.380 -0.208 606 HB2 TRP 83 HB2 TRP 83 16.579 -4.614 -2.015 607 HB3 TRP 83 HB3 TRP 83 17.067 -3.023 -2.583 608 HD1 TRP 83 HD1 TRP 83 19.435 -3.903 0.082 609 HE1 TRP 83 HE1 TRP 83 21.593 -4.894 -0.832 610 HE3 TRP 83 HE3 TRP 83 17.912 -4.782 -4.710 611 HZ2 TRP 83 HZ2 TRP 83 22.555 -5.922 -3.299 612 HZ3 TRP 83 HZ3 TRP 83 19.522 -5.767 -6.292 613 HH2 TRP 83 HH2 TRP 83 21.787 -6.323 -5.598 614 H ASN 84 H ASN 84 14.692 -4.216 0.321 615 HA ASN 84 HA ASN 84 12.859 -2.266 -0.601 616 HB2 ASN 84 HB2 ASN 84 12.188 -4.614 -0.159 617 HB3 ASN 84 HB3 ASN 84 12.477 -4.369 1.558 618 HD21 ASN 84 HD21 ASN 84 10.949 -3.264 2.772 619 HD22 ASN 84 HD22 ASN 84 9.402 -2.823 2.130 620 H GLN 85 H GLN 85 14.633 -2.697 2.394 621 HA GLN 85 HA GLN 85 13.366 -0.691 3.931 622 HB2 GLN 85 HB2 GLN 85 16.204 -1.740 3.957 623 HB3 GLN 85 HB3 GLN 85 15.610 -0.567 5.121 624 HG2 GLN 85 HG2 GLN 85 14.040 -2.146 5.997 625 HG3 GLN 85 HG3 GLN 85 14.422 -3.298 4.719 626 HE21 GLN 85 HE21 GLN 85 15.654 -1.709 7.587 627 HE22 GLN 85 HE22 GLN 85 16.873 -2.879 7.923 628 H LEU 86 H LEU 86 16.162 -0.632 1.776 629 HA LEU 86 HA LEU 86 16.927 1.994 1.842 630 HB2 LEU 86 HB2 LEU 86 16.730 0.256 -0.603 631 HB3 LEU 86 HB3 LEU 86 17.682 1.720 -0.482 632 HG LEU 86 HG LEU 86 18.107 -0.723 1.197 633 HD11 LEU 86 HD11 LEU 86 20.034 -1.157 -0.262 634 HD12 LEU 86 HD12 LEU 86 19.629 0.289 -1.192 635 HD13 LEU 86 HD13 LEU 86 18.550 -1.092 -1.233 636 HD21 LEU 86 HD21 LEU 86 20.300 0.301 1.660 637 HD22 LEU 86 HD22 LEU 86 18.959 1.270 2.268 638 HD23 LEU 86 HD23 LEU 86 19.797 1.741 0.787 639 H MET 87 H MET 87 14.409 0.464 -0.058 640 HA MET 87 HA MET 87 13.463 2.550 -1.664 641 HB2 MET 87 HB2 MET 87 11.884 0.280 -0.465 642 HB3 MET 87 HB3 MET 87 11.332 1.319 -1.758 643 HG2 MET 87 HG2 MET 87 13.701 -0.508 -1.892 644 HG3 MET 87 HG3 MET 87 12.093 -0.891 -2.496 645 HE1 MET 87 HE1 MET 87 13.936 -0.495 -5.787 646 HE2 MET 87 HE2 MET 87 12.792 -1.412 -4.772 647 HE3 MET 87 HE3 MET 87 14.478 -1.269 -4.279 648 H LEU 88 H LEU 88 12.285 1.377 1.438 649 HA LEU 88 HA LEU 88 10.113 3.227 1.550 650 HB2 LEU 88 HB2 LEU 88 11.288 1.488 3.645 651 HB3 LEU 88 HB3 LEU 88 9.824 2.422 3.804 652 HG LEU 88 HG LEU 88 10.300 0.065 2.020 653 HD11 LEU 88 HD11 LEU 88 8.547 0.650 4.365 654 HD12 LEU 88 HD12 LEU 88 10.036 -0.256 4.405 655 HD13 LEU 88 HD13 LEU 88 8.624 -0.918 3.524 656 HD21 LEU 88 HD21 LEU 88 8.920 1.644 0.839 657 HD22 LEU 88 HD22 LEU 88 7.975 1.948 2.288 658 HD23 LEU 88 HD23 LEU 88 7.865 0.368 1.473 659 H SER 89 H SER 89 13.064 2.797 3.462 660 HA SER 89 HA SER 89 12.117 4.682 5.088 661 HB2 SER 89 HB2 SER 89 14.784 3.384 4.980 662 HB3 SER 89 HB3 SER 89 14.208 4.313 6.380 663 HG SER 89 HG SER 89 13.570 2.248 6.817 664 H ARG 90 H ARG 90 14.707 4.603 2.654 665 HA ARG 90 HA ARG 90 15.663 6.114 1.301 666 HB2 ARG 90 HB2 ARG 90 13.794 8.130 2.529 667 HB3 ARG 90 HB3 ARG 90 14.795 8.409 1.117 668 HG2 ARG 90 HG2 ARG 90 12.661 6.302 1.287 669 HG3 ARG 90 HG3 ARG 90 12.403 7.916 0.643 670 HD2 ARG 90 HD2 ARG 90 14.345 5.863 -0.407 671 HD3 ARG 90 HD3 ARG 90 12.797 6.271 -1.140 672 HE ARG 90 HE ARG 90 15.095 8.086 -0.917 673 HH11 ARG 90 HH11 ARG 90 12.049 7.211 -2.647 674 HH12 ARG 90 HH12 ARG 90 12.469 8.055 -4.024 675 HH21 ARG 90 HH21 ARG 90 15.596 9.296 -2.950 676 HH22 ARG 90 HH22 ARG 90 14.467 9.220 -4.209 677 H SER 91 H SER 91 15.727 6.784 4.624 678 HA SER 91 HA SER 91 18.239 8.203 4.209 679 HB2 SER 91 HB2 SER 91 16.064 9.340 5.968 680 HB3 SER 91 HB3 SER 91 17.687 10.011 5.775 681 HG SER 91 HG SER 91 16.787 9.639 3.370 682 HA PRO 92 HA PRO 92 18.675 6.597 8.684 683 HB2 PRO 92 HB2 PRO 92 16.767 5.073 9.841 684 HB3 PRO 92 HB3 PRO 92 16.698 6.847 9.909 685 HG2 PRO 92 HG2 PRO 92 15.207 4.988 8.141 686 HG3 PRO 92 HG3 PRO 92 14.642 6.448 8.975 687 HD2 PRO 92 HD2 PRO 92 15.302 6.420 6.338 688 HD3 PRO 92 HD3 PRO 92 15.443 7.856 7.371 689 H GLU 93 H GLU 93 17.341 4.808 6.136 690 HA GLU 93 HA GLU 93 19.048 2.555 6.536 691 HB2 GLU 93 HB2 GLU 93 16.061 2.386 5.923 692 HB3 GLU 93 HB3 GLU 93 17.182 1.042 5.933 693 HG2 GLU 93 HG2 GLU 93 17.386 1.105 8.287 694 HG3 GLU 93 HG3 GLU 93 16.608 2.683 8.382 Start of MODEL 12 1 H ASP 14 HT1 ASP 14 8.776 8.887 2.910 2 HA ASP 14 HA ASP 14 7.838 6.123 3.090 3 HB2 ASP 14 HB2 ASP 14 6.421 7.681 4.435 4 HB3 ASP 14 HB3 ASP 14 6.254 8.718 3.023 5 H ASN 15 H ASN 15 6.720 5.533 1.063 6 HA ASN 15 HA ASN 15 7.000 7.118 -1.305 7 HB2 ASN 15 HB2 ASN 15 9.365 6.799 -1.015 8 HB3 ASN 15 HB3 ASN 15 9.156 5.071 -0.782 9 HD21 ASN 15 HD21 ASN 15 10.415 4.480 -2.379 10 HD22 ASN 15 HD22 ASN 15 10.124 4.702 -4.059 11 H ARG 16 H ARG 16 5.753 6.372 -2.842 12 HA ARG 16 HA ARG 16 4.449 3.770 -2.590 13 HB2 ARG 16 HB2 ARG 16 3.916 5.989 -4.567 14 HB3 ARG 16 HB3 ARG 16 2.919 4.564 -4.314 15 HG2 ARG 16 HG2 ARG 16 3.479 6.674 -2.260 16 HG3 ARG 16 HG3 ARG 16 2.006 6.580 -3.234 17 HD2 ARG 16 HD2 ARG 16 1.376 4.522 -2.193 18 HD3 ARG 16 HD3 ARG 16 2.947 4.358 -1.406 19 HE ARG 16 HE ARG 16 0.827 6.234 -0.708 20 HH11 ARG 16 HH11 ARG 16 3.879 4.569 0.119 21 HH12 ARG 16 HH12 ARG 16 4.086 5.413 1.573 22 HH21 ARG 16 HH21 ARG 16 1.166 7.366 1.441 23 HH22 ARG 16 HH22 ARG 16 2.624 6.990 2.256 24 H HIS 17 H HIS 17 7.163 4.977 -4.347 25 HA HIS 17 HA HIS 17 6.600 3.677 -6.777 26 HB2 HIS 17 HB2 HIS 17 7.870 5.884 -6.507 27 HB3 HIS 17 HB3 HIS 17 9.228 4.915 -5.954 28 HD1 HIS 17 HD1 HIS 17 10.662 5.636 -8.049 29 HD2 HIS 17 HD2 HIS 17 7.181 3.571 -8.981 30 HE1 HIS 17 HE1 HIS 17 10.741 5.182 -10.523 31 H ALA 18 H ALA 18 7.905 2.813 -3.816 32 HA ALA 18 HA ALA 18 9.829 0.861 -4.268 33 HB1 ALA 18 HB1 ALA 18 9.304 -0.132 -2.273 34 HB2 ALA 18 HB2 ALA 18 7.637 0.483 -2.257 35 HB3 ALA 18 HB3 ALA 18 9.014 1.589 -2.034 36 H ALA 19 H ALA 19 6.661 0.659 -5.390 37 HA ALA 19 HA ALA 19 6.384 -2.050 -5.884 38 HB1 ALA 19 HB1 ALA 19 5.154 -1.387 -7.907 39 HB2 ALA 19 HB2 ALA 19 5.809 0.245 -7.772 40 HB3 ALA 19 HB3 ALA 19 4.710 -0.369 -6.537 41 H ASP 20 H ASP 20 8.794 0.239 -7.102 42 HA ASP 20 HA ASP 20 9.977 -0.923 -9.294 43 HB2 ASP 20 HB2 ASP 20 11.448 -0.009 -6.790 44 HB3 ASP 20 HB3 ASP 20 12.269 -0.462 -8.262 45 H TYR 21 H TYR 21 10.246 -1.914 -5.939 46 HA TYR 21 HA TYR 21 12.085 -4.065 -5.891 47 HB2 TYR 21 HB2 TYR 21 11.058 -2.867 -3.964 48 HB3 TYR 21 HB3 TYR 21 9.550 -3.692 -4.312 49 HD1 TYR 21 HD1 TYR 21 13.113 -4.366 -3.647 50 HD2 TYR 21 HD2 TYR 21 9.099 -5.663 -3.229 51 HE1 TYR 21 HE1 TYR 21 13.869 -6.180 -2.253 52 HE2 TYR 21 HE2 TYR 21 9.835 -7.515 -1.808 53 HH TYR 21 HH TYR 21 12.856 -7.636 -0.455 54 H GLN 22 H GLN 22 8.714 -4.027 -6.750 55 HA GLN 22 HA GLN 22 8.518 -6.878 -6.800 56 HB2 GLN 22 HB2 GLN 22 6.732 -4.797 -8.063 57 HB3 GLN 22 HB3 GLN 22 6.379 -6.521 -8.062 58 HG2 GLN 22 HG2 GLN 22 6.718 -4.803 -5.612 59 HG3 GLN 22 HG3 GLN 22 5.181 -5.349 -6.284 60 HE21 GLN 22 HE21 GLN 22 4.606 -7.511 -6.076 61 HE22 GLN 22 HE22 GLN 22 5.407 -8.562 -4.957 62 H GLN 23 H GLN 23 9.188 -4.476 -9.252 63 HA GLN 23 HA GLN 23 9.341 -6.341 -11.414 64 HB2 GLN 23 HB2 GLN 23 8.922 -3.954 -11.821 65 HB3 GLN 23 HB3 GLN 23 10.470 -3.545 -11.103 66 HG2 GLN 23 HG2 GLN 23 10.568 -3.407 -13.527 67 HG3 GLN 23 HG3 GLN 23 11.626 -4.682 -12.928 68 HE21 GLN 23 HE21 GLN 23 11.044 -6.827 -13.271 69 HE22 GLN 23 HE22 GLN 23 9.930 -7.309 -14.473 70 H LEU 24 H LEU 24 11.534 -4.969 -9.113 71 HA LEU 24 HA LEU 24 14.022 -5.931 -10.044 72 HB2 LEU 24 HB2 LEU 24 13.355 -4.251 -8.136 73 HB3 LEU 24 HB3 LEU 24 13.215 -5.664 -7.128 74 HG LEU 24 HG LEU 24 15.763 -4.710 -8.455 75 HD11 LEU 24 HD11 LEU 24 14.820 -4.529 -5.603 76 HD12 LEU 24 HD12 LEU 24 15.007 -3.187 -6.733 77 HD13 LEU 24 HD13 LEU 24 16.422 -4.084 -6.183 78 HD21 LEU 24 HD21 LEU 24 16.872 -6.308 -6.970 79 HD22 LEU 24 HD22 LEU 24 15.772 -7.104 -8.090 80 HD23 LEU 24 HD23 LEU 24 15.296 -6.876 -6.408 81 H ARG 25 H ARG 25 11.685 -7.353 -7.705 82 HA ARG 25 HA ARG 25 12.898 -9.758 -7.071 83 HB2 ARG 25 HB2 ARG 25 9.934 -9.396 -7.671 84 HB3 ARG 25 HB3 ARG 25 10.618 -10.766 -6.832 85 HG2 ARG 25 HG2 ARG 25 10.664 -7.926 -5.829 86 HG3 ARG 25 HG3 ARG 25 9.473 -9.139 -5.373 87 HD2 ARG 25 HD2 ARG 25 12.420 -9.375 -4.973 88 HD3 ARG 25 HD3 ARG 25 11.304 -8.833 -3.713 89 HE ARG 25 HE ARG 25 11.036 -11.493 -4.948 90 HH11 ARG 25 HH11 ARG 25 11.577 -9.539 -1.932 91 HH12 ARG 25 HH12 ARG 25 11.489 -10.894 -0.947 92 HH21 ARG 25 HH21 ARG 25 10.983 -13.380 -3.389 93 HH22 ARG 25 HH22 ARG 25 11.195 -12.993 -1.738 94 H GLU 26 H GLU 26 10.665 -9.103 -9.743 95 HA GLU 26 HA GLU 26 10.471 -11.565 -10.933 96 HB2 GLU 26 HB2 GLU 26 9.039 -9.561 -11.125 97 HB3 GLU 26 HB3 GLU 26 10.263 -8.837 -12.144 98 HG2 GLU 26 HG2 GLU 26 9.021 -11.448 -12.782 99 HG3 GLU 26 HG3 GLU 26 8.244 -9.924 -13.191 100 H ARG 27 H ARG 27 12.600 -8.845 -11.831 101 HA ARG 27 HA ARG 27 13.778 -10.043 -14.067 102 HB2 ARG 27 HB2 ARG 27 14.727 -7.888 -12.291 103 HB3 ARG 27 HB3 ARG 27 15.645 -8.462 -13.680 104 HG2 ARG 27 HG2 ARG 27 12.837 -7.387 -13.787 105 HG3 ARG 27 HG3 ARG 27 14.343 -6.536 -14.152 106 HD2 ARG 27 HD2 ARG 27 13.517 -7.135 -16.267 107 HD3 ARG 27 HD3 ARG 27 14.755 -8.330 -15.914 108 HE ARG 27 HE ARG 27 12.057 -9.119 -15.197 109 HH11 ARG 27 HH11 ARG 27 14.469 -9.185 -17.781 110 HH12 ARG 27 HH12 ARG 27 13.702 -10.461 -18.629 111 HH21 ARG 27 HH21 ARG 27 11.070 -10.789 -16.268 112 HH22 ARG 27 HH22 ARG 27 11.648 -11.424 -17.732 113 H LEU 28 H LEU 28 14.896 -10.101 -10.692 114 HA LEU 28 HA LEU 28 17.280 -11.445 -11.251 115 HB2 LEU 28 HB2 LEU 28 15.643 -11.177 -8.760 116 HB3 LEU 28 HB3 LEU 28 17.028 -12.245 -8.800 117 HG LEU 28 HG LEU 28 18.461 -10.331 -9.379 118 HD11 LEU 28 HD11 LEU 28 15.977 -8.747 -9.031 119 HD12 LEU 28 HD12 LEU 28 16.904 -8.968 -10.499 120 HD13 LEU 28 HD13 LEU 28 17.601 -8.052 -9.155 121 HD21 LEU 28 HD21 LEU 28 18.237 -10.993 -7.054 122 HD22 LEU 28 HD22 LEU 28 16.818 -9.954 -6.889 123 HD23 LEU 28 HD23 LEU 28 18.404 -9.241 -7.192 124 H ILE 29 H ILE 29 14.055 -12.574 -10.736 125 HA ILE 29 HA ILE 29 14.654 -15.260 -10.292 126 HB ILE 29 HB ILE 29 12.270 -13.674 -10.863 127 HG12 ILE 29 HG12 ILE 29 11.297 -15.017 -9.165 128 HG13 ILE 29 HG11 ILE 29 12.603 -16.186 -9.278 129 HG21 ILE 29 HG21 ILE 29 11.923 -15.107 -12.761 130 HG22 ILE 29 HG22 ILE 29 10.779 -15.501 -11.460 131 HG23 ILE 29 HG23 ILE 29 12.179 -16.536 -11.748 132 HD11 ILE 29 HD11 ILE 29 12.857 -14.769 -7.368 133 HD12 ILE 29 HD12 ILE 29 12.856 -13.333 -8.428 134 HD13 ILE 29 HD13 ILE 29 14.168 -14.518 -8.526 135 H GLN 30 H GLN 30 14.457 -13.473 -13.149 136 HA GLN 30 HA GLN 30 14.367 -15.621 -15.001 137 HB2 GLN 30 HB2 GLN 30 15.457 -12.846 -15.334 138 HB3 GLN 30 HB3 GLN 30 14.922 -13.946 -16.606 139 HG2 GLN 30 HG2 GLN 30 13.199 -12.829 -14.439 140 HG3 GLN 30 HG3 GLN 30 13.292 -12.145 -16.057 141 HE21 GLN 30 HE21 GLN 30 10.912 -13.102 -14.897 142 HE22 GLN 30 HE22 GLN 30 10.394 -14.504 -15.767 143 H GLU 31 H GLU 31 16.889 -13.674 -13.519 144 HA GLU 31 HA GLU 31 18.946 -15.018 -15.049 145 HB2 GLU 31 HB2 GLU 31 19.457 -13.069 -12.810 146 HB3 GLU 31 HB3 GLU 31 20.485 -13.438 -14.191 147 HG2 GLU 31 HG2 GLU 31 18.493 -12.547 -15.590 148 HG3 GLU 31 HG3 GLU 31 17.995 -11.844 -14.051 149 H LEU 32 H LEU 32 17.542 -15.292 -11.884 150 HA LEU 32 HA LEU 32 19.696 -16.836 -10.843 151 HB2 LEU 32 HB2 LEU 32 16.946 -16.286 -9.708 152 HB3 LEU 32 HB3 LEU 32 18.259 -17.084 -8.867 153 HG LEU 32 HG LEU 32 18.082 -14.300 -9.829 154 HD11 LEU 32 HD11 LEU 32 18.271 -13.713 -7.415 155 HD12 LEU 32 HD12 LEU 32 18.216 -15.436 -7.036 156 HD13 LEU 32 HD13 LEU 32 16.833 -14.654 -7.808 157 HD21 LEU 32 HD21 LEU 32 20.298 -13.900 -8.696 158 HD22 LEU 32 HD22 LEU 32 20.355 -14.876 -10.142 159 HD23 LEU 32 HD23 LEU 32 20.475 -15.653 -8.562 160 H ASN 33 H ASN 33 16.868 -17.323 -12.636 161 HA ASN 33 HA ASN 33 15.664 -19.006 -13.401 162 HB2 ASN 33 HB2 ASN 33 17.894 -19.715 -14.311 163 HB3 ASN 33 HB3 ASN 33 18.127 -20.719 -12.888 164 HD21 ASN 33 HD21 ASN 33 16.901 -22.600 -12.695 165 HD22 ASN 33 HD22 ASN 33 16.098 -23.332 -14.056 166 H LEU 34 H LEU 34 14.572 -18.557 -11.258 167 HA LEU 34 HA LEU 34 13.789 -20.997 -10.110 168 HB2 LEU 34 HB2 LEU 34 14.218 -20.155 -7.771 169 HB3 LEU 34 HB3 LEU 34 15.574 -20.846 -8.652 170 HG LEU 34 HG LEU 34 16.320 -18.476 -9.101 171 HD11 LEU 34 HD11 LEU 34 14.214 -17.392 -8.705 172 HD12 LEU 34 HD12 LEU 34 15.488 -16.711 -7.681 173 HD13 LEU 34 HD13 LEU 34 14.284 -17.820 -6.998 174 HD21 LEU 34 HD21 LEU 34 17.354 -19.875 -7.452 175 HD22 LEU 34 HD22 LEU 34 16.145 -19.402 -6.257 176 HD23 LEU 34 HD23 LEU 34 17.292 -18.204 -6.877 177 H THR 35 H THR 35 12.188 -20.238 -8.082 178 HA THR 35 HA THR 35 10.436 -18.455 -9.484 179 HB THR 35 HB THR 35 8.897 -19.452 -7.558 180 HG1 THR 35 HG1 THR 35 10.049 -20.779 -6.431 181 HG21 THR 35 HG21 THR 35 8.317 -21.307 -9.072 182 HG22 THR 35 HG22 THR 35 9.818 -21.050 -9.960 183 HG23 THR 35 HG23 THR 35 8.563 -19.812 -9.973 184 HA PRO 36 HA PRO 36 10.937 -14.881 -7.110 185 HB2 PRO 36 HB2 PRO 36 8.085 -14.976 -6.257 186 HB3 PRO 36 HB3 PRO 36 8.999 -13.660 -7.029 187 HG2 PRO 36 HG2 PRO 36 7.340 -15.078 -8.471 188 HG3 PRO 36 HG3 PRO 36 8.928 -14.617 -9.119 189 HD2 PRO 36 HD2 PRO 36 8.020 -17.267 -8.103 190 HD3 PRO 36 HD3 PRO 36 9.090 -16.875 -9.464 191 H GLN 37 H GLN 37 9.506 -17.466 -5.288 192 HA GLN 37 HA GLN 37 10.022 -16.131 -2.725 193 HB2 GLN 37 HB2 GLN 37 8.492 -18.650 -3.369 194 HB3 GLN 37 HB3 GLN 37 8.738 -18.019 -1.752 195 HG2 GLN 37 HG2 GLN 37 7.462 -16.032 -2.309 196 HG3 GLN 37 HG3 GLN 37 7.274 -16.601 -3.967 197 HE21 GLN 37 HE21 GLN 37 5.012 -16.606 -3.785 198 HE22 GLN 37 HE22 GLN 37 4.198 -17.816 -2.853 199 H GLN 38 H GLN 38 11.534 -18.255 -4.878 200 HA GLN 38 HA GLN 38 12.697 -19.829 -2.752 201 HB2 GLN 38 HB2 GLN 38 12.343 -20.267 -5.690 202 HB3 GLN 38 HB3 GLN 38 13.572 -21.159 -4.807 203 HG2 GLN 38 HG2 GLN 38 11.548 -22.459 -5.018 204 HG3 GLN 38 HG3 GLN 38 11.862 -22.079 -3.326 205 HE21 GLN 38 HE21 GLN 38 9.765 -22.381 -2.686 206 HE22 GLN 38 HE22 GLN 38 8.463 -21.338 -3.132 207 H LEU 39 H LEU 39 13.415 -17.034 -3.568 208 HA LEU 39 HA LEU 39 16.256 -17.587 -4.003 209 HB2 LEU 39 HB2 LEU 39 16.549 -15.430 -4.947 210 HB3 LEU 39 HB3 LEU 39 15.010 -15.931 -5.592 211 HG LEU 39 HG LEU 39 13.962 -14.507 -3.715 212 HD11 LEU 39 HD11 LEU 39 15.368 -12.608 -2.941 213 HD12 LEU 39 HD12 LEU 39 16.748 -13.282 -3.803 214 HD13 LEU 39 HD13 LEU 39 16.097 -14.130 -2.428 215 HD21 LEU 39 HD21 LEU 39 15.490 -13.221 -5.962 216 HD22 LEU 39 HD22 LEU 39 14.196 -12.456 -5.043 217 HD23 LEU 39 HD23 LEU 39 13.852 -13.877 -6.029 218 H HIS 40 H HIS 40 17.703 -16.664 -2.418 219 HA HIS 40 HA HIS 40 16.395 -16.325 0.085 220 HB2 HIS 40 HB2 HIS 40 19.290 -16.477 -0.695 221 HB3 HIS 40 HB3 HIS 40 18.713 -15.954 0.879 222 HD1 HIS 40 HD1 HIS 40 17.629 -17.698 2.459 223 HD2 HIS 40 HD2 HIS 40 18.984 -19.260 -1.157 224 HE1 HIS 40 HE1 HIS 40 17.656 -20.204 2.738 225 H GLU 41 H GLU 41 15.412 -14.517 0.244 226 HA GLU 41 HA GLU 41 16.630 -12.055 -0.628 227 HB2 GLU 41 HB2 GLU 41 14.516 -11.009 0.136 228 HB3 GLU 41 HB3 GLU 41 14.301 -12.266 -1.067 229 HG2 GLU 41 HG2 GLU 41 13.710 -13.822 0.798 230 HG3 GLU 41 HG3 GLU 41 13.740 -12.424 1.881 231 H GLU 42 H GLU 42 16.490 -13.908 2.155 232 HA GLU 42 HA GLU 42 17.257 -11.714 3.873 233 HB2 GLU 42 HB2 GLU 42 17.267 -13.838 5.558 234 HB3 GLU 42 HB3 GLU 42 15.845 -12.866 5.248 235 HG2 GLU 42 HG2 GLU 42 15.382 -15.297 5.248 236 HG3 GLU 42 HG3 GLU 42 14.978 -14.528 3.721 237 H SER 43 H SER 43 18.480 -14.537 2.284 238 HA SER 43 HA SER 43 21.060 -14.204 3.545 239 HB2 SER 43 HB2 SER 43 20.088 -16.505 2.778 240 HB3 SER 43 HB3 SER 43 20.494 -15.906 1.167 241 HG SER 43 HG SER 43 22.328 -16.951 1.731 242 H ASN 44 H ASN 44 22.895 -14.235 1.912 243 HA ASN 44 HA ASN 44 22.602 -11.731 0.575 244 HB2 ASN 44 HB2 ASN 44 25.006 -13.504 0.918 245 HB3 ASN 44 HB3 ASN 44 25.049 -12.097 -0.124 246 HD21 ASN 44 HD21 ASN 44 23.219 -12.133 2.884 247 HD22 ASN 44 HD22 ASN 44 24.279 -11.047 3.714 248 H LEU 45 H LEU 45 22.315 -11.292 -1.388 249 HA LEU 45 HA LEU 45 21.552 -13.223 -3.297 250 HB2 LEU 45 HB2 LEU 45 22.317 -10.338 -3.727 251 HB3 LEU 45 HB3 LEU 45 21.471 -11.345 -4.882 252 HG LEU 45 HG LEU 45 20.404 -10.490 -2.189 253 HD11 LEU 45 HD11 LEU 45 19.684 -9.603 -4.972 254 HD12 LEU 45 HD12 LEU 45 20.539 -8.646 -3.761 255 HD13 LEU 45 HD13 LEU 45 18.862 -9.120 -3.489 256 HD21 LEU 45 HD21 LEU 45 18.281 -11.433 -2.983 257 HD22 LEU 45 HD22 LEU 45 19.529 -12.667 -2.847 258 HD23 LEU 45 HD23 LEU 45 19.091 -12.028 -4.432 259 H ILE 46 H ILE 46 24.597 -12.093 -2.383 260 HA ILE 46 HA ILE 46 26.000 -12.469 -4.867 261 HB ILE 46 HB ILE 46 27.275 -12.584 -2.112 262 HG12 ILE 46 HG12 ILE 46 25.847 -10.565 -2.182 263 HG13 ILE 46 HG11 ILE 46 27.557 -10.165 -2.112 264 HG21 ILE 46 HG21 ILE 46 28.262 -11.688 -4.809 265 HG22 ILE 46 HG22 ILE 46 28.773 -13.119 -3.901 266 HG23 ILE 46 HG23 ILE 46 29.157 -11.483 -3.304 267 HD11 ILE 46 HD11 ILE 46 25.744 -10.047 -4.492 268 HD12 ILE 46 HD12 ILE 46 27.482 -9.736 -4.557 269 HD13 ILE 46 HD13 ILE 46 26.424 -8.675 -3.619 270 H GLN 47 H GLN 47 24.672 -14.537 -2.485 271 HA GLN 47 HA GLN 47 26.534 -16.688 -2.855 272 HB2 GLN 47 HB2 GLN 47 25.436 -16.119 -0.676 273 HB3 GLN 47 HB3 GLN 47 23.907 -16.578 -1.410 274 HG2 GLN 47 HG2 GLN 47 24.770 -18.817 -1.762 275 HG3 GLN 47 HG3 GLN 47 26.273 -18.326 -0.969 276 HE21 GLN 47 HE21 GLN 47 26.013 -19.850 0.675 277 HE22 GLN 47 HE22 GLN 47 24.831 -19.660 1.930 278 H ALA 48 H ALA 48 23.997 -15.360 -4.484 279 HA ALA 48 HA ALA 48 23.090 -17.873 -5.677 280 HB1 ALA 48 HB1 ALA 48 21.187 -16.538 -6.528 281 HB2 ALA 48 HB2 ALA 48 21.844 -15.109 -5.731 282 HB3 ALA 48 HB3 ALA 48 21.279 -16.472 -4.767 283 H GLY 49 H GLY 49 22.442 -17.169 -8.184 284 HA2 GLY 49 HA2 GLY 49 25.000 -16.601 -9.342 285 HA3 GLY 49 HA3 GLY 49 23.497 -16.879 -10.218 286 H LEU 50 H LEU 50 25.459 -14.492 -8.577 287 HA LEU 50 HA LEU 50 24.196 -12.391 -10.111 288 HB2 LEU 50 HB2 LEU 50 23.430 -12.502 -7.699 289 HB3 LEU 50 HB3 LEU 50 25.105 -12.295 -7.228 290 HG LEU 50 HG LEU 50 25.013 -10.240 -8.676 291 HD11 LEU 50 HD11 LEU 50 22.068 -10.603 -8.141 292 HD12 LEU 50 HD12 LEU 50 22.867 -10.557 -9.714 293 HD13 LEU 50 HD13 LEU 50 22.796 -9.104 -8.713 294 HD21 LEU 50 HD21 LEU 50 25.390 -10.058 -6.366 295 HD22 LEU 50 HD22 LEU 50 23.700 -10.382 -5.973 296 HD23 LEU 50 HD23 LEU 50 24.157 -8.866 -6.752 297 H ASP 51 H ASP 51 25.807 -10.675 -10.374 298 HA ASP 51 HA ASP 51 28.531 -11.498 -9.870 299 HB2 ASP 51 HB2 ASP 51 29.112 -10.531 -12.171 300 HB3 ASP 51 HB3 ASP 51 28.247 -12.052 -12.186 301 H 4HJ 52 H 4HJ 52 29.074 -8.910 -11.549 302 HA 4HJ 52 HA 4HJ 52 29.054 -7.101 -9.216 303 HAA 4HJ 52 HAA 4HJ 52 28.979 -9.524 -7.420 304 HB3 4HJ 52 HB3 4HJ 52 30.738 -5.998 -10.469 305 HB2 4HJ 52 HB2 4HJ 52 31.307 -7.609 -10.012 306 HZ1 4HJ 52 HZ1 4HJ 52 29.883 -11.718 -6.828 307 HZ2 4HJ 52 HZ2 4HJ 52 30.456 -7.565 -7.607 308 HZ 4HJ 52 HZ 4HJ 52 33.321 -12.138 -5.985 309 HJ2 4HJ 52 HJ2 4HJ 52 32.240 -3.875 -13.111 310 HJ3 4HJ 52 HJ3 4HJ 52 33.870 -4.387 -12.679 311 HL12 4HJ 52 HL12 4HJ 52 34.196 -4.311 -9.914 312 HL11 4HJ 52 HL11 4HJ 52 32.514 -4.314 -9.583 313 HL13 4HJ 52 HL13 4HJ 52 33.398 -2.913 -9.091 314 HL22 4HJ 52 HL22 4HJ 52 31.150 -2.243 -12.071 315 HL21 4HJ 52 HL21 4HJ 52 31.515 -1.673 -10.398 316 HL23 4HJ 52 HL23 4HJ 52 30.940 -3.281 -10.697 317 HM 4HJ 52 HM 4HJ 52 34.925 -0.563 -10.821 318 HN 4HJ 52 HN 4HJ 52 35.652 -3.761 -13.365 319 HL3 4HJ 52 HL3 4HJ 52 33.552 -1.288 -12.492 320 HO2 4HJ 52 HO2 4HJ 52 37.446 -4.174 -11.354 321 HO3 4HJ 52 HO3 4HJ 52 35.881 -4.413 -10.556 322 HP2 4HJ 52 HP2 4HJ 52 35.277 -6.100 -12.142 323 HP3 4HJ 52 HP3 4HJ 52 36.872 -5.936 -12.927 324 HS2 4HJ 52 HS2 4HJ 52 34.619 -8.427 -11.273 325 HS3 4HJ 52 HS3 4HJ 52 35.977 -9.400 -10.629 326 HT3 4HJ 52 HT3 4HJ 52 33.932 -9.938 -9.514 327 HT2 4HJ 52 HT2 4HJ 52 33.677 -8.267 -9.065 328 HY2 4HJ 52 HY2 4HJ 52 32.881 -7.777 -7.228 329 HR 4HJ 52 HR 4HJ 52 35.885 -6.930 -9.307 330 H ILE 53 H ILE 53 29.181 -6.921 -12.538 331 HA ILE 53 HA ILE 53 28.022 -4.533 -13.046 332 HB ILE 53 HB ILE 53 29.221 -6.231 -14.515 333 HG12 ILE 53 HG12 ILE 53 28.563 -4.049 -15.284 334 HG13 ILE 53 HG11 ILE 53 28.550 -5.266 -16.561 335 HG21 ILE 53 HG21 ILE 53 27.867 -7.539 -16.096 336 HG22 ILE 53 HG22 ILE 53 26.438 -7.152 -15.137 337 HG23 ILE 53 HG23 ILE 53 27.747 -8.094 -14.426 338 HD11 ILE 53 HD11 ILE 53 26.086 -5.332 -16.431 339 HD12 ILE 53 HD12 ILE 53 26.668 -3.705 -16.805 340 HD13 ILE 53 HD13 ILE 53 26.132 -4.101 -15.169 341 H ARG 54 H ARG 54 26.212 -7.596 -12.526 342 HA ARG 54 HA ARG 54 23.555 -6.823 -13.040 343 HB2 ARG 54 HB2 ARG 54 24.869 -8.794 -11.351 344 HB3 ARG 54 HB3 ARG 54 23.416 -8.146 -10.610 345 HG2 ARG 54 HG2 ARG 54 22.844 -10.120 -11.826 346 HG3 ARG 54 HG3 ARG 54 22.170 -8.728 -12.671 347 HD2 ARG 54 HD2 ARG 54 24.150 -8.768 -14.169 348 HD3 ARG 54 HD3 ARG 54 24.655 -10.246 -13.343 349 HE ARG 54 HE ARG 54 21.987 -10.322 -14.399 350 HH11 ARG 54 HH11 ARG 54 25.377 -11.241 -14.823 351 HH12 ARG 54 HH12 ARG 54 25.126 -12.168 -16.211 352 HH21 ARG 54 HH21 ARG 54 21.581 -11.522 -16.297 353 HH22 ARG 54 HH22 ARG 54 22.831 -12.376 -17.103 354 H LEU 55 H LEU 55 25.574 -6.145 -10.241 355 HA LEU 55 HA LEU 55 23.547 -4.975 -8.639 356 HB2 LEU 55 HB2 LEU 55 26.544 -4.717 -8.627 357 HB3 LEU 55 HB3 LEU 55 25.496 -4.071 -7.381 358 HG LEU 55 HG LEU 55 25.454 -7.011 -8.016 359 HD11 LEU 55 HD11 LEU 55 27.784 -6.386 -7.578 360 HD12 LEU 55 HD12 LEU 55 27.097 -7.323 -6.255 361 HD13 LEU 55 HD13 LEU 55 27.279 -5.575 -6.098 362 HD21 LEU 55 HD21 LEU 55 23.684 -6.062 -6.624 363 HD22 LEU 55 HD22 LEU 55 24.917 -5.394 -5.544 364 HD23 LEU 55 HD23 LEU 55 24.740 -7.134 -5.693 365 H MET 56 H MET 56 26.004 -3.693 -10.806 366 HA MET 56 HA MET 56 25.333 -0.994 -10.239 367 HB2 MET 56 HB2 MET 56 27.033 -2.159 -12.450 368 HB3 MET 56 HB3 MET 56 26.834 -0.429 -12.190 369 HG2 MET 56 HG2 MET 56 28.886 -1.108 -11.157 370 HG3 MET 56 HG3 MET 56 27.729 -0.722 -9.887 371 HE1 MET 56 HE1 MET 56 28.644 -2.066 -7.837 372 HE2 MET 56 HE2 MET 56 30.109 -2.131 -8.819 373 HE3 MET 56 HE3 MET 56 29.503 -3.592 -8.029 374 H ARG 57 H ARG 57 24.219 -3.278 -12.420 375 HA ARG 57 HA ARG 57 22.716 -1.742 -14.227 376 HB2 ARG 57 HB2 ARG 57 23.320 -4.029 -14.444 377 HB3 ARG 57 HB3 ARG 57 22.383 -4.435 -13.033 378 HG2 ARG 57 HG2 ARG 57 20.374 -4.214 -14.173 379 HG3 ARG 57 HG3 ARG 57 21.136 -3.317 -15.516 380 HD2 ARG 57 HD2 ARG 57 22.408 -5.021 -16.120 381 HD3 ARG 57 HD3 ARG 57 22.121 -5.966 -14.673 382 HE ARG 57 HE ARG 57 20.206 -5.599 -16.891 383 HH11 ARG 57 HH11 ARG 57 21.095 -7.325 -13.941 384 HH12 ARG 57 HH12 ARG 57 20.442 -8.827 -14.408 385 HH21 ARG 57 HH21 ARG 57 19.298 -7.825 -17.587 386 HH22 ARG 57 HH22 ARG 57 19.547 -9.118 -16.487 387 H TRP 58 H TRP 58 22.037 -3.197 -11.049 388 HA TRP 58 HA TRP 58 19.369 -2.167 -10.674 389 HB2 TRP 58 HB2 TRP 58 21.358 -3.107 -8.589 390 HB3 TRP 58 HB3 TRP 58 19.606 -2.906 -8.424 391 HD1 TRP 58 HD1 TRP 58 21.693 -5.668 -8.505 392 HE1 TRP 58 HE1 TRP 58 20.777 -7.672 -9.841 393 HE3 TRP 58 HE3 TRP 58 17.926 -3.311 -11.102 394 HZ2 TRP 58 HZ2 TRP 58 18.773 -8.167 -11.716 395 HZ3 TRP 58 HZ3 TRP 58 16.556 -4.630 -12.610 396 HH2 TRP 58 HH2 TRP 58 16.924 -6.992 -12.908 397 H LEU 59 H LEU 59 22.515 -1.036 -9.652 398 HA LEU 59 HA LEU 59 21.864 1.296 -8.295 399 HB2 LEU 59 HB2 LEU 59 24.102 0.604 -10.125 400 HB3 LEU 59 HB3 LEU 59 23.894 2.274 -9.690 401 HG LEU 59 HG LEU 59 25.576 1.103 -8.351 402 HD11 LEU 59 HD11 LEU 59 24.800 1.958 -6.205 403 HD12 LEU 59 HD12 LEU 59 23.152 2.032 -6.858 404 HD13 LEU 59 HD13 LEU 59 24.411 3.056 -7.540 405 HD21 LEU 59 HD21 LEU 59 23.204 -0.385 -7.312 406 HD22 LEU 59 HD22 LEU 59 24.865 -0.506 -6.680 407 HD23 LEU 59 HD23 LEU 59 24.467 -1.050 -8.325 408 H HIS 60 H HIS 60 22.570 1.045 -11.702 409 HA HIS 60 HA HIS 60 21.919 3.690 -12.307 410 HB2 HIS 60 HB2 HIS 60 23.490 2.335 -13.512 411 HB3 HIS 60 HB3 HIS 60 22.226 1.250 -14.042 412 HD1 HIS 60 HD1 HIS 60 23.844 4.508 -14.935 413 HD2 HIS 60 HD2 HIS 60 20.480 2.340 -16.053 414 HE1 HIS 60 HE1 HIS 60 22.988 5.574 -17.049 415 H TRP 61 H TRP 61 19.933 0.957 -11.836 416 HA TRP 61 HA TRP 61 17.831 1.894 -13.537 417 HB2 TRP 61 HB2 TRP 61 18.306 -0.502 -13.075 418 HB3 TRP 61 HB3 TRP 61 17.839 -0.230 -11.413 419 HD1 TRP 61 HD1 TRP 61 16.125 0.403 -14.867 420 HE1 TRP 61 HE1 TRP 61 13.658 -0.336 -14.664 421 HE3 TRP 61 HE3 TRP 61 16.135 -1.087 -10.032 422 HZ2 TRP 61 HZ2 TRP 61 11.952 -1.431 -12.700 423 HZ3 TRP 61 HZ3 TRP 61 14.052 -1.989 -9.042 424 HH2 TRP 61 HH2 TRP 61 12.013 -2.147 -10.359 425 H PHE 62 H PHE 62 18.043 1.362 -9.994 426 HA PHE 62 HA PHE 62 15.843 3.157 -9.702 427 HB2 PHE 62 HB2 PHE 62 16.058 2.548 -7.126 428 HB3 PHE 62 HB3 PHE 62 15.264 1.496 -8.284 429 HD1 PHE 62 HD1 PHE 62 18.662 2.128 -6.928 430 HD2 PHE 62 HD2 PHE 62 15.759 -0.664 -8.194 431 HE1 PHE 62 HE1 PHE 62 20.196 0.256 -6.354 432 HE2 PHE 62 HE2 PHE 62 17.251 -2.514 -7.648 433 HZ PHE 62 HZ PHE 62 19.464 -2.070 -6.780 434 H ARG 63 H ARG 63 19.195 3.582 -9.270 435 HA ARG 63 HA ARG 63 19.154 5.631 -7.325 436 HB2 ARG 63 HB2 ARG 63 21.215 4.513 -8.209 437 HB3 ARG 63 HB3 ARG 63 21.025 5.415 -9.695 438 HG2 ARG 63 HG2 ARG 63 22.749 6.373 -8.282 439 HG3 ARG 63 HG3 ARG 63 21.408 7.500 -8.486 440 HD2 ARG 63 HD2 ARG 63 20.592 7.070 -6.305 441 HD3 ARG 63 HD3 ARG 63 21.629 5.659 -6.115 442 HE ARG 63 HE ARG 63 23.493 7.360 -6.299 443 HH11 ARG 63 HH11 ARG 63 20.393 8.053 -4.723 444 HH12 ARG 63 HH12 ARG 63 21.028 9.176 -3.620 445 HH21 ARG 63 HH21 ARG 63 24.395 8.858 -4.731 446 HH22 ARG 63 HH22 ARG 63 23.394 9.639 -3.608 447 H LYS 64 H LYS 64 18.260 5.633 -10.649 448 HA LYS 64 HA LYS 64 18.223 8.483 -11.103 449 HB2 LYS 64 HB2 LYS 64 16.711 6.349 -12.524 450 HB3 LYS 64 HB3 LYS 64 17.067 7.973 -13.091 451 HG2 LYS 64 HG2 LYS 64 19.511 7.308 -12.858 452 HG3 LYS 64 HG3 LYS 64 18.901 5.651 -12.763 453 HD2 LYS 64 HD2 LYS 64 18.384 7.657 -14.820 454 HD3 LYS 64 HD3 LYS 64 19.472 6.267 -15.055 455 HE2 LYS 64 HE2 LYS 64 16.430 6.313 -14.811 456 HE3 LYS 64 HE3 LYS 64 17.378 5.697 -16.157 457 HZ1 LYS 64 HZ1 LYS 64 18.221 3.972 -14.531 458 HZ2 LYS 64 HZ2 LYS 64 16.601 3.821 -14.983 459 HZ3 LYS 64 HZ3 LYS 64 16.994 4.451 -13.480 460 H ASN 65 H ASN 65 16.213 6.126 -9.653 461 HA ASN 65 HA ASN 65 13.705 7.486 -10.098 462 HB2 ASN 65 HB2 ASN 65 14.406 4.883 -8.691 463 HB3 ASN 65 HB3 ASN 65 12.768 5.494 -8.870 464 HD21 ASN 65 HD21 ASN 65 12.315 3.388 -9.990 465 HD22 ASN 65 HD22 ASN 65 12.746 3.253 -11.612 466 H GLY 66 H GLY 66 16.192 7.974 -8.156 467 HA2 GLY 66 HA2 GLY 66 16.246 9.656 -6.534 468 HA3 GLY 66 HA3 GLY 66 14.527 9.438 -6.290 469 H TYR 67 H TYR 67 16.735 6.696 -6.131 470 HA TYR 67 HA TYR 67 16.172 6.605 -3.255 471 HB2 TYR 67 HB2 TYR 67 17.096 4.418 -5.128 472 HB3 TYR 67 HB3 TYR 67 16.803 4.206 -3.403 473 HD1 TYR 67 HD2 TYR 67 14.516 4.383 -2.527 474 HD2 TYR 67 HD1 TYR 67 15.305 4.506 -6.684 475 HE1 TYR 67 HE2 TYR 67 12.145 3.956 -2.995 476 HE2 TYR 67 HE1 TYR 67 12.937 4.077 -7.156 477 HH TYR 67 HH TYR 67 11.037 3.175 -6.138 478 H ARG 68 H ARG 68 17.986 5.871 -1.725 479 HA ARG 68 HA ARG 68 20.359 7.256 -2.385 480 HB2 ARG 68 HB2 ARG 68 19.141 7.508 -0.240 481 HB3 ARG 68 HB3 ARG 68 19.435 5.803 0.085 482 HG2 ARG 68 HG2 ARG 68 21.807 6.330 -0.337 483 HG3 ARG 68 HG3 ARG 68 21.355 8.036 -0.118 484 HD2 ARG 68 HD2 ARG 68 22.087 7.309 2.063 485 HD3 ARG 68 HD3 ARG 68 20.324 7.266 2.122 486 HE ARG 68 HE ARG 68 21.727 4.790 1.417 487 HH11 ARG 68 HH11 ARG 68 20.026 6.577 4.024 488 HH12 ARG 68 HH12 ARG 68 19.648 5.135 4.838 489 HH21 ARG 68 HH21 ARG 68 21.272 3.003 2.592 490 HH22 ARG 68 HH22 ARG 68 20.285 3.052 4.027 491 H LEU 69 H LEU 69 21.395 5.635 -3.947 492 HA LEU 69 HA LEU 69 22.338 3.355 -2.412 493 HB2 LEU 69 HB2 LEU 69 22.417 3.806 -5.357 494 HB3 LEU 69 HB3 LEU 69 22.910 2.412 -4.437 495 HG LEU 69 HG LEU 69 21.004 2.012 -5.646 496 HD11 LEU 69 HD11 LEU 69 21.172 0.797 -3.572 497 HD12 LEU 69 HD12 LEU 69 19.472 1.136 -3.870 498 HD13 LEU 69 HD13 LEU 69 20.375 2.107 -2.702 499 HD21 LEU 69 HD21 LEU 69 19.640 4.257 -4.224 500 HD22 LEU 69 HD22 LEU 69 18.765 3.008 -5.095 501 HD23 LEU 69 HD23 LEU 69 19.902 4.051 -5.959 502 H THR 70 H THR 70 24.271 3.429 -1.898 503 HA THR 70 HA THR 70 26.245 4.735 -3.606 504 HB THR 70 HB THR 70 26.688 3.691 -0.830 505 HG1 THR 70 HG1 THR 70 25.014 5.153 -0.570 506 HG21 THR 70 HG21 THR 70 28.638 4.316 -2.147 507 HG22 THR 70 HG22 THR 70 28.451 5.423 -0.785 508 HG23 THR 70 HG23 THR 70 27.970 5.928 -2.406 509 H LEU 71 H LEU 71 27.869 3.254 -4.212 510 HA LEU 71 HA LEU 71 26.973 0.699 -4.915 511 HB2 LEU 71 HB2 LEU 71 29.822 1.668 -4.745 512 HB3 LEU 71 HB3 LEU 71 29.287 0.109 -5.359 513 HG LEU 71 HG LEU 71 29.880 1.754 -7.143 514 HD11 LEU 71 HD11 LEU 71 27.873 1.344 -8.524 515 HD12 LEU 71 HD12 LEU 71 27.112 0.628 -7.088 516 HD13 LEU 71 HD13 LEU 71 28.594 -0.062 -7.762 517 HD21 LEU 71 HD21 LEU 71 28.271 3.528 -7.723 518 HD22 LEU 71 HD22 LEU 71 29.020 3.816 -6.151 519 HD23 LEU 71 HD23 LEU 71 27.376 3.188 -6.239 520 H ARG 72 H ARG 72 28.612 1.701 -2.096 521 HA ARG 72 HA ARG 72 29.521 -0.918 -1.298 522 HB2 ARG 72 HB2 ARG 72 30.376 1.553 -0.632 523 HB3 ARG 72 HB3 ARG 72 29.281 1.286 0.710 524 HG2 ARG 72 HG2 ARG 72 31.607 -0.518 -0.011 525 HG3 ARG 72 HG3 ARG 72 31.640 0.717 1.238 526 HD2 ARG 72 HD2 ARG 72 29.979 -0.478 2.516 527 HD3 ARG 72 HD3 ARG 72 29.752 -1.632 1.205 528 HE ARG 72 HE ARG 72 32.356 -1.382 2.519 529 HH11 ARG 72 HH11 ARG 72 29.497 -3.316 1.757 530 HH12 ARG 72 HH12 ARG 72 30.095 -4.795 2.270 531 HH21 ARG 72 HH21 ARG 72 33.274 -3.470 3.325 532 HH22 ARG 72 HH22 ARG 72 32.324 -4.877 3.227 533 H GLU 73 H GLU 73 26.455 0.794 -1.036 534 HA GLU 73 HA GLU 73 25.563 -0.507 1.363 535 HB2 GLU 73 HB2 GLU 73 24.069 0.892 -0.857 536 HB3 GLU 73 HB3 GLU 73 23.347 0.348 0.653 537 HG2 GLU 73 HG2 GLU 73 24.813 1.841 1.899 538 HG3 GLU 73 HG3 GLU 73 25.554 2.364 0.388 539 H LEU 74 H LEU 74 25.380 -1.072 -2.025 540 HA LEU 74 HA LEU 74 23.566 -3.244 -1.964 541 HB2 LEU 74 HB2 LEU 74 25.666 -2.565 -4.034 542 HB3 LEU 74 HB3 LEU 74 24.415 -3.763 -4.241 543 HG LEU 74 HG LEU 74 23.797 -1.854 -5.476 544 HD11 LEU 74 HD11 LEU 74 21.977 -2.955 -4.391 545 HD12 LEU 74 HD12 LEU 74 21.665 -1.227 -4.540 546 HD13 LEU 74 HD13 LEU 74 22.143 -1.904 -2.982 547 HD21 LEU 74 HD21 LEU 74 24.043 -0.168 -2.984 548 HD22 LEU 74 HD22 LEU 74 23.574 0.394 -4.585 549 HD23 LEU 74 HD23 LEU 74 25.219 -0.200 -4.297 550 H TYR 75 H TYR 75 26.992 -2.910 -1.693 551 HA TYR 75 HA TYR 75 27.559 -5.779 -1.632 552 HB2 TYR 75 HB2 TYR 75 29.175 -3.285 -1.444 553 HB3 TYR 75 HB3 TYR 75 29.884 -4.813 -0.993 554 HD1 TYR 75 HD2 TYR 75 29.027 -6.658 -2.974 555 HD2 TYR 75 HD1 TYR 75 29.959 -2.551 -3.413 556 HE1 TYR 75 HE2 TYR 75 29.686 -7.068 -5.312 557 HE2 TYR 75 HE1 TYR 75 30.609 -2.929 -5.757 558 HH TYR 75 HH TYR 75 29.860 -5.751 -7.414 559 H ALA 76 H ALA 76 26.310 -3.652 0.579 560 HA ALA 76 HA ALA 76 28.034 -4.555 2.665 561 HB1 ALA 76 HB1 ALA 76 26.807 -3.027 4.189 562 HB2 ALA 76 HB2 ALA 76 25.693 -2.650 2.874 563 HB3 ALA 76 HB3 ALA 76 27.394 -2.202 2.744 564 H ALA 77 H ALA 77 24.582 -4.463 2.002 565 HA ALA 77 HA ALA 77 24.374 -7.107 3.174 566 HB1 ALA 77 HB1 ALA 77 22.213 -6.521 4.197 567 HB2 ALA 77 HB2 ALA 77 22.415 -4.851 3.666 568 HB3 ALA 77 HB3 ALA 77 23.516 -5.533 4.863 569 HA PRO 78 HA PRO 78 22.634 -6.822 -1.033 570 HB2 PRO 78 HB2 PRO 78 23.869 -9.391 -1.539 571 HB3 PRO 78 HB3 PRO 78 24.262 -7.833 -2.290 572 HG2 PRO 78 HG2 PRO 78 25.969 -9.133 -0.625 573 HG3 PRO 78 HG3 PRO 78 25.940 -7.373 -0.841 574 HD2 PRO 78 HD2 PRO 78 24.796 -9.013 1.367 575 HD3 PRO 78 HD3 PRO 78 25.633 -7.444 1.426 576 H THR 79 H THR 79 20.675 -7.144 0.016 577 HA THR 79 HA THR 79 19.583 -9.821 -0.171 578 HB THR 79 HB THR 79 18.455 -9.491 2.058 579 HG1 THR 79 HG1 THR 79 20.325 -7.373 2.299 580 HG21 THR 79 HG21 THR 79 21.476 -9.515 2.266 581 HG22 THR 79 HG22 THR 79 20.456 -10.927 1.997 582 HG23 THR 79 HG23 THR 79 20.358 -10.047 3.522 583 H LEU 80 H LEU 80 17.362 -9.598 -0.701 584 HA LEU 80 HA LEU 80 16.584 -7.000 -1.610 585 HB2 LEU 80 HB2 LEU 80 14.997 -9.521 -1.342 586 HB3 LEU 80 HB3 LEU 80 14.396 -8.064 -2.099 587 HG LEU 80 HG LEU 80 16.711 -9.686 -2.909 588 HD11 LEU 80 HD11 LEU 80 14.395 -10.620 -3.424 589 HD12 LEU 80 HD12 LEU 80 15.262 -10.173 -4.912 590 HD13 LEU 80 HD13 LEU 80 14.075 -9.065 -4.216 591 HD21 LEU 80 HD21 LEU 80 16.717 -8.274 -4.970 592 HD22 LEU 80 HD22 LEU 80 17.155 -7.384 -3.509 593 HD23 LEU 80 HD23 LEU 80 15.529 -7.235 -4.204 594 H ALA 81 H ALA 81 16.274 -8.785 1.135 595 HA ALA 81 HA ALA 81 14.181 -7.470 2.491 596 HB1 ALA 81 HB1 ALA 81 15.281 -9.471 3.404 597 HB2 ALA 81 HB2 ALA 81 15.245 -8.164 4.588 598 HB3 ALA 81 HB3 ALA 81 16.736 -8.525 3.717 599 H ALA 82 H ALA 82 17.698 -6.686 2.613 600 HA ALA 82 HA ALA 82 17.235 -4.247 4.013 601 HB1 ALA 82 HB1 ALA 82 19.348 -5.479 4.232 602 HB2 ALA 82 HB2 ALA 82 19.607 -3.811 3.712 603 HB3 ALA 82 HB3 ALA 82 19.717 -5.125 2.543 604 H TRP 83 H TRP 83 17.732 -5.063 0.609 605 HA TRP 83 HA TRP 83 18.033 -2.391 -0.236 606 HB2 TRP 83 HB2 TRP 83 17.078 -4.782 -1.819 607 HB3 TRP 83 HB3 TRP 83 17.456 -3.220 -2.523 608 HD1 TRP 83 HD1 TRP 83 20.040 -3.825 0.025 609 HE1 TRP 83 HE1 TRP 83 22.157 -4.823 -1.013 610 HE3 TRP 83 HE3 TRP 83 18.146 -5.076 -4.537 611 HZ2 TRP 83 HZ2 TRP 83 22.928 -6.001 -3.484 612 HZ3 TRP 83 HZ3 TRP 83 19.631 -6.136 -6.190 613 HH2 TRP 83 HH2 TRP 83 21.967 -6.585 -5.674 614 H ASN 84 H ASN 84 15.282 -4.256 0.577 615 HA ASN 84 HA ASN 84 13.312 -2.697 -0.749 616 HB2 ASN 84 HB2 ASN 84 13.013 -5.034 0.208 617 HB3 ASN 84 HB3 ASN 84 12.962 -4.289 1.799 618 HD21 ASN 84 HD21 ASN 84 10.877 -4.955 2.190 619 HD22 ASN 84 HD22 ASN 84 9.522 -4.281 1.346 620 H GLN 85 H GLN 85 14.938 -2.545 2.374 621 HA GLN 85 HA GLN 85 13.346 -0.675 3.715 622 HB2 GLN 85 HB2 GLN 85 15.171 -2.009 4.754 623 HB3 GLN 85 HB3 GLN 85 16.347 -1.036 3.890 624 HG2 GLN 85 HG2 GLN 85 15.532 0.953 5.089 625 HG3 GLN 85 HG3 GLN 85 14.432 -0.081 6.000 626 HE21 GLN 85 HE21 GLN 85 17.764 0.944 5.583 627 HE22 GLN 85 HE22 GLN 85 18.338 0.133 6.978 628 H LEU 86 H LEU 86 15.935 -0.312 1.417 629 HA LEU 86 HA LEU 86 16.460 2.406 1.514 630 HB2 LEU 86 HB2 LEU 86 16.534 0.509 -0.813 631 HB3 LEU 86 HB3 LEU 86 17.243 2.107 -0.814 632 HG LEU 86 HG LEU 86 18.118 -0.033 1.137 633 HD11 LEU 86 HD11 LEU 86 19.311 0.727 -1.499 634 HD12 LEU 86 HD12 LEU 86 18.386 -0.741 -1.225 635 HD13 LEU 86 HD13 LEU 86 19.943 -0.501 -0.393 636 HD21 LEU 86 HD21 LEU 86 18.763 2.271 1.714 637 HD22 LEU 86 HD22 LEU 86 19.437 2.457 0.084 638 HD23 LEU 86 HD23 LEU 86 20.165 1.318 1.191 639 H MET 87 H MET 87 13.640 0.693 0.190 640 HA MET 87 HA MET 87 13.178 2.711 -1.781 641 HB2 MET 87 HB2 MET 87 11.860 0.118 -1.203 642 HB3 MET 87 HB3 MET 87 11.186 1.286 -2.335 643 HG2 MET 87 HG2 MET 87 13.300 1.221 -3.567 644 HG3 MET 87 HG3 MET 87 13.855 -0.047 -2.469 645 HE1 MET 87 HE1 MET 87 14.309 -1.450 -4.633 646 HE2 MET 87 HE2 MET 87 13.609 -0.137 -5.602 647 HE3 MET 87 HE3 MET 87 13.051 -1.806 -5.839 648 H LEU 88 H LEU 88 11.365 1.336 0.866 649 HA LEU 88 HA LEU 88 9.357 3.322 0.494 650 HB2 LEU 88 HB2 LEU 88 8.415 2.060 2.653 651 HB3 LEU 88 HB3 LEU 88 8.135 1.570 1.005 652 HG LEU 88 HG LEU 88 8.646 -0.303 2.563 653 HD11 LEU 88 HD11 LEU 88 10.155 -1.498 1.129 654 HD12 LEU 88 HD12 LEU 88 10.423 -0.002 0.225 655 HD13 LEU 88 HD13 LEU 88 8.821 -0.701 0.305 656 HD21 LEU 88 HD21 LEU 88 10.947 -0.720 3.269 657 HD22 LEU 88 HD22 LEU 88 10.314 0.753 4.003 658 HD23 LEU 88 HD23 LEU 88 11.429 0.857 2.643 659 H SER 89 H SER 89 11.988 2.945 2.694 660 HA SER 89 HA SER 89 10.851 4.532 4.730 661 HB2 SER 89 HB2 SER 89 13.767 4.230 4.063 662 HB3 SER 89 HB3 SER 89 13.087 4.716 5.611 663 HG SER 89 HG SER 89 13.433 2.242 4.573 664 H ARG 90 H ARG 90 12.932 5.306 1.960 665 HA ARG 90 HA ARG 90 13.881 7.327 1.460 666 HB2 ARG 90 HB2 ARG 90 11.105 7.149 0.419 667 HB3 ARG 90 HB3 ARG 90 12.118 8.524 -0.010 668 HG2 ARG 90 HG2 ARG 90 13.188 5.766 -0.298 669 HG3 ARG 90 HG3 ARG 90 12.080 6.389 -1.521 670 HD2 ARG 90 HD2 ARG 90 14.466 6.690 -2.100 671 HD3 ARG 90 HD3 ARG 90 13.593 8.215 -2.013 672 HE ARG 90 HE ARG 90 15.282 7.281 0.238 673 HH11 ARG 90 HH11 ARG 90 14.684 9.632 -2.316 674 HH12 ARG 90 HH12 ARG 90 15.707 10.839 -1.676 675 HH21 ARG 90 HH21 ARG 90 16.786 8.781 1.037 676 HH22 ARG 90 HH22 ARG 90 16.976 10.329 0.366 677 H SER 91 H SER 91 14.100 7.897 3.623 678 HA SER 91 HA SER 91 13.691 10.671 3.832 679 HB2 SER 91 HB2 SER 91 12.384 8.978 6.038 680 HB3 SER 91 HB3 SER 91 12.570 10.732 6.096 681 HG SER 91 HG SER 91 11.409 10.064 3.828 682 HA PRO 92 HA PRO 92 17.171 9.253 6.682 683 HB2 PRO 92 HB2 PRO 92 17.319 6.753 7.740 684 HB3 PRO 92 HB3 PRO 92 16.414 8.040 8.561 685 HG2 PRO 92 HG2 PRO 92 15.389 5.778 6.950 686 HG3 PRO 92 HG3 PRO 92 14.708 6.539 8.398 687 HD2 PRO 92 HD2 PRO 92 13.815 7.036 5.843 688 HD3 PRO 92 HD3 PRO 92 13.633 8.125 7.237 689 H GLU 93 H GLU 93 15.744 6.744 4.812 690 HA GLU 93 HA GLU 93 18.247 5.924 3.575 691 HB2 GLU 93 HB2 GLU 93 15.456 4.823 3.155 692 HB3 GLU 93 HB3 GLU 93 16.965 4.111 2.624 693 HG2 GLU 93 HG2 GLU 93 16.127 4.419 5.506 694 HG3 GLU 93 HG3 GLU 93 15.986 2.945 4.558 Start of MODEL 13 1 H ASP 14 HT1 ASP 14 4.865 9.504 2.500 2 HA ASP 14 HA ASP 14 4.398 7.594 1.076 3 HB2 ASP 14 HB2 ASP 14 3.557 9.701 0.282 4 HB3 ASP 14 HB3 ASP 14 5.158 10.212 -0.240 5 H ASN 15 H ASN 15 5.128 6.126 -0.425 6 HA ASN 15 HA ASN 15 7.309 6.508 -2.037 7 HB2 ASN 15 HB2 ASN 15 8.727 6.117 -0.003 8 HB3 ASN 15 HB3 ASN 15 7.960 4.539 0.189 9 HD21 ASN 15 HD21 ASN 15 9.795 3.294 -0.179 10 HD22 ASN 15 HD22 ASN 15 10.599 3.239 -1.701 11 H ARG 16 H ARG 16 5.951 6.003 -3.404 12 HA ARG 16 HA ARG 16 4.752 3.400 -3.460 13 HB2 ARG 16 HB2 ARG 16 4.702 5.758 -5.309 14 HB3 ARG 16 HB3 ARG 16 3.777 4.273 -5.571 15 HG2 ARG 16 HG2 ARG 16 2.517 4.582 -3.590 16 HG3 ARG 16 HG3 ARG 16 3.699 5.795 -3.048 17 HD2 ARG 16 HD2 ARG 16 2.183 6.287 -5.549 18 HD3 ARG 16 HD3 ARG 16 1.371 6.555 -3.999 19 HE ARG 16 HE ARG 16 3.428 7.902 -3.457 20 HH11 ARG 16 HH11 ARG 16 2.037 7.814 -6.707 21 HH12 ARG 16 HH12 ARG 16 2.591 9.370 -7.146 22 HH21 ARG 16 HH21 ARG 16 4.179 9.894 -3.997 23 HH22 ARG 16 HH22 ARG 16 3.895 10.675 -5.501 24 H HIS 17 H HIS 17 7.702 4.667 -4.240 25 HA HIS 17 HA HIS 17 8.140 3.091 -6.548 26 HB2 HIS 17 HB2 HIS 17 9.891 4.998 -5.084 27 HB3 HIS 17 HB3 HIS 17 10.618 3.830 -6.188 28 HD1 HIS 17 HD1 HIS 17 9.883 7.175 -6.400 29 HD2 HIS 17 HD2 HIS 17 8.676 3.887 -8.646 30 HE1 HIS 17 HE1 HIS 17 9.153 8.085 -8.634 31 H ALA 18 H ALA 18 8.341 2.425 -3.261 32 HA ALA 18 HA ALA 18 10.248 0.352 -3.307 33 HB1 ALA 18 HB1 ALA 18 7.724 0.429 -1.650 34 HB2 ALA 18 HB2 ALA 18 9.265 1.214 -1.247 35 HB3 ALA 18 HB3 ALA 18 9.182 -0.542 -1.378 36 H ALA 19 H ALA 19 7.199 0.575 -4.825 37 HA ALA 19 HA ALA 19 6.601 -2.178 -5.130 38 HB1 ALA 19 HB1 ALA 19 5.852 0.165 -6.887 39 HB2 ALA 19 HB2 ALA 19 4.932 -0.409 -5.497 40 HB3 ALA 19 HB3 ALA 19 5.106 -1.433 -6.923 41 H ASP 20 H ASP 20 8.954 -0.088 -6.538 42 HA ASP 20 HA ASP 20 9.322 -1.399 -8.990 43 HB2 ASP 20 HB2 ASP 20 10.183 0.906 -8.366 44 HB3 ASP 20 HB3 ASP 20 11.416 0.123 -7.400 45 H TYR 21 H TYR 21 10.333 -1.955 -5.692 46 HA TYR 21 HA TYR 21 12.345 -3.892 -5.953 47 HB2 TYR 21 HB2 TYR 21 12.170 -3.321 -3.715 48 HB3 TYR 21 HB3 TYR 21 10.428 -3.113 -3.801 49 HD1 TYR 21 HD1 TYR 21 13.141 -5.602 -3.296 50 HD2 TYR 21 HD2 TYR 21 8.935 -4.920 -3.276 51 HE1 TYR 21 HE1 TYR 21 12.766 -7.814 -2.248 52 HE2 TYR 21 HE2 TYR 21 8.575 -7.102 -2.225 53 HH TYR 21 HH TYR 21 10.812 -8.934 -0.754 54 H GLN 22 H GLN 22 8.899 -4.143 -6.286 55 HA GLN 22 HA GLN 22 8.709 -6.968 -6.132 56 HB2 GLN 22 HB2 GLN 22 6.906 -5.001 -7.554 57 HB3 GLN 22 HB3 GLN 22 6.513 -6.694 -7.275 58 HG2 GLN 22 HG2 GLN 22 6.559 -6.333 -4.876 59 HG3 GLN 22 HG3 GLN 22 7.041 -4.656 -5.122 60 HE21 GLN 22 HE21 GLN 22 4.440 -6.944 -5.332 61 HE22 GLN 22 HE22 GLN 22 3.190 -5.756 -5.523 62 H GLN 23 H GLN 23 9.437 -4.774 -8.722 63 HA GLN 23 HA GLN 23 9.406 -6.778 -10.780 64 HB2 GLN 23 HB2 GLN 23 10.612 -4.006 -10.742 65 HB3 GLN 23 HB3 GLN 23 10.440 -5.017 -12.168 66 HG2 GLN 23 HG2 GLN 23 8.012 -4.876 -11.946 67 HG3 GLN 23 HG3 GLN 23 8.207 -3.874 -10.505 68 HE21 GLN 23 HE21 GLN 23 9.044 -1.777 -10.740 69 HE22 GLN 23 HE22 GLN 23 9.048 -0.961 -12.236 70 H LEU 24 H LEU 24 11.678 -5.457 -8.526 71 HA LEU 24 HA LEU 24 14.127 -6.361 -9.684 72 HB2 LEU 24 HB2 LEU 24 13.494 -4.787 -7.592 73 HB3 LEU 24 HB3 LEU 24 13.730 -6.277 -6.719 74 HG LEU 24 HG LEU 24 15.788 -4.780 -8.338 75 HD11 LEU 24 HD11 LEU 24 15.479 -5.226 -5.390 76 HD12 LEU 24 HD12 LEU 24 15.306 -3.707 -6.269 77 HD13 LEU 24 HD13 LEU 24 16.880 -4.494 -6.162 78 HD21 LEU 24 HD21 LEU 24 16.212 -7.174 -8.524 79 HD22 LEU 24 HD22 LEU 24 16.107 -7.340 -6.773 80 HD23 LEU 24 HD23 LEU 24 17.422 -6.408 -7.495 81 H ARG 25 H ARG 25 11.869 -7.749 -7.324 82 HA ARG 25 HA ARG 25 12.987 -10.204 -6.748 83 HB2 ARG 25 HB2 ARG 25 10.144 -9.305 -7.085 84 HB3 ARG 25 HB3 ARG 25 10.446 -11.016 -6.921 85 HG2 ARG 25 HG2 ARG 25 11.321 -8.967 -4.890 86 HG3 ARG 25 HG3 ARG 25 9.770 -9.807 -4.827 87 HD2 ARG 25 HD2 ARG 25 11.152 -11.984 -4.923 88 HD3 ARG 25 HD3 ARG 25 12.533 -10.933 -4.591 89 HE ARG 25 HE ARG 25 10.973 -10.273 -2.561 90 HH11 ARG 25 HH11 ARG 25 11.496 -13.567 -3.820 91 HH12 ARG 25 HH12 ARG 25 11.586 -14.288 -2.273 92 HH21 ARG 25 HH21 ARG 25 10.997 -11.302 -0.452 93 HH22 ARG 25 HH22 ARG 25 11.226 -12.968 -0.317 94 H GLU 26 H GLU 26 10.827 -9.375 -9.459 95 HA GLU 26 HA GLU 26 10.641 -11.780 -10.784 96 HB2 GLU 26 HB2 GLU 26 9.204 -9.819 -11.080 97 HB3 GLU 26 HB3 GLU 26 10.548 -8.922 -11.753 98 HG2 GLU 26 HG2 GLU 26 10.590 -10.888 -13.442 99 HG3 GLU 26 HG3 GLU 26 8.903 -11.068 -12.928 100 H ARG 27 H ARG 27 12.811 -9.041 -11.277 101 HA ARG 27 HA ARG 27 13.899 -10.268 -13.581 102 HB2 ARG 27 HB2 ARG 27 14.401 -7.586 -12.396 103 HB3 ARG 27 HB3 ARG 27 15.075 -8.157 -13.948 104 HG2 ARG 27 HG2 ARG 27 12.936 -8.687 -14.789 105 HG3 ARG 27 HG3 ARG 27 12.190 -8.370 -13.244 106 HD2 ARG 27 HD2 ARG 27 12.909 -6.007 -13.580 107 HD3 ARG 27 HD3 ARG 27 13.266 -6.516 -15.261 108 HE ARG 27 HE ARG 27 10.890 -7.598 -14.914 109 HH11 ARG 27 HH11 ARG 27 11.810 -4.222 -14.564 110 HH12 ARG 27 HH12 ARG 27 10.171 -3.682 -14.446 111 HH21 ARG 27 HH21 ARG 27 8.789 -6.916 -14.681 112 HH22 ARG 27 HH22 ARG 27 8.383 -5.256 -14.566 113 H LEU 28 H LEU 28 14.945 -10.225 -10.368 114 HA LEU 28 HA LEU 28 17.618 -11.062 -10.933 115 HB2 LEU 28 HB2 LEU 28 15.805 -11.794 -8.632 116 HB3 LEU 28 HB3 LEU 28 17.502 -12.206 -8.723 117 HG LEU 28 HG LEU 28 16.332 -9.448 -8.506 118 HD11 LEU 28 HD11 LEU 28 16.248 -10.657 -6.444 119 HD12 LEU 28 HD12 LEU 28 17.564 -9.465 -6.375 120 HD13 LEU 28 HD13 LEU 28 17.926 -11.169 -6.637 121 HD21 LEU 28 HD21 LEU 28 18.655 -8.691 -8.386 122 HD22 LEU 28 HD22 LEU 28 18.244 -9.436 -9.923 123 HD23 LEU 28 HD23 LEU 28 19.197 -10.343 -8.746 124 H ILE 29 H ILE 29 14.543 -12.582 -10.744 125 HA ILE 29 HA ILE 29 15.282 -15.256 -10.690 126 HB ILE 29 HB ILE 29 12.873 -13.691 -10.996 127 HG12 ILE 29 HG12 ILE 29 11.952 -15.413 -9.585 128 HG13 ILE 29 HG11 ILE 29 13.383 -16.395 -9.832 129 HG21 ILE 29 HG21 ILE 29 12.549 -14.768 -13.119 130 HG22 ILE 29 HG22 ILE 29 11.395 -15.389 -11.938 131 HG23 ILE 29 HG23 ILE 29 12.802 -16.352 -12.387 132 HD11 ILE 29 HD11 ILE 29 13.414 -15.232 -7.704 133 HD12 ILE 29 HD12 ILE 29 13.298 -13.692 -8.587 134 HD13 ILE 29 HD13 ILE 29 14.737 -14.710 -8.763 135 H GLN 30 H GLN 30 15.133 -13.050 -13.281 136 HA GLN 30 HA GLN 30 14.879 -14.950 -15.386 137 HB2 GLN 30 HB2 GLN 30 16.171 -12.258 -15.550 138 HB3 GLN 30 HB3 GLN 30 15.342 -13.170 -16.831 139 HG2 GLN 30 HG2 GLN 30 13.248 -12.870 -15.473 140 HG3 GLN 30 HG3 GLN 30 14.231 -11.845 -14.424 141 HE21 GLN 30 HE21 GLN 30 12.779 -12.109 -17.578 142 HE22 GLN 30 HE22 GLN 30 12.950 -10.434 -17.986 143 H GLU 31 H GLU 31 17.513 -13.388 -13.698 144 HA GLU 31 HA GLU 31 19.512 -14.593 -15.403 145 HB2 GLU 31 HB2 GLU 31 19.926 -13.016 -12.868 146 HB3 GLU 31 HB3 GLU 31 21.116 -13.350 -14.121 147 HG2 GLU 31 HG2 GLU 31 19.613 -12.089 -15.705 148 HG3 GLU 31 HG3 GLU 31 18.708 -11.599 -14.271 149 H LEU 32 H LEU 32 18.048 -15.139 -12.298 150 HA LEU 32 HA LEU 32 20.066 -16.972 -11.469 151 HB2 LEU 32 HB2 LEU 32 17.409 -16.327 -10.206 152 HB3 LEU 32 HB3 LEU 32 18.719 -17.231 -9.475 153 HG LEU 32 HG LEU 32 18.698 -14.377 -10.273 154 HD11 LEU 32 HD11 LEU 32 18.779 -15.665 -7.543 155 HD12 LEU 32 HD12 LEU 32 17.440 -14.759 -8.252 156 HD13 LEU 32 HD13 LEU 32 18.943 -13.934 -7.839 157 HD21 LEU 32 HD21 LEU 32 20.940 -14.204 -9.160 158 HD22 LEU 32 HD22 LEU 32 20.922 -15.128 -10.640 159 HD23 LEU 32 HD23 LEU 32 20.976 -15.969 -9.086 160 H ASN 33 H ASN 33 17.219 -17.088 -13.299 161 HA ASN 33 HA ASN 33 15.751 -18.563 -14.021 162 HB2 ASN 33 HB2 ASN 33 17.782 -19.614 -15.042 163 HB3 ASN 33 HB3 ASN 33 17.983 -20.606 -13.606 164 HD21 ASN 33 HD21 ASN 33 16.549 -22.306 -13.267 165 HD22 ASN 33 HD22 ASN 33 15.568 -22.965 -14.544 166 H LEU 34 H LEU 34 14.569 -18.131 -12.073 167 HA LEU 34 HA LEU 34 14.282 -20.365 -10.219 168 HB2 LEU 34 HB2 LEU 34 16.064 -18.878 -9.457 169 HB3 LEU 34 HB3 LEU 34 15.001 -17.509 -9.576 170 HG LEU 34 HG LEU 34 13.664 -18.491 -7.725 171 HD11 LEU 34 HD11 LEU 34 14.325 -20.813 -8.062 172 HD12 LEU 34 HD12 LEU 34 14.707 -20.282 -6.417 173 HD13 LEU 34 HD13 LEU 34 15.985 -20.412 -7.635 174 HD21 LEU 34 HD21 LEU 34 15.370 -16.785 -7.526 175 HD22 LEU 34 HD22 LEU 34 16.584 -18.028 -7.220 176 HD23 LEU 34 HD23 LEU 34 15.256 -17.778 -6.065 177 H THR 35 H THR 35 12.374 -19.435 -8.554 178 HA THR 35 HA THR 35 10.360 -18.080 -10.204 179 HB THR 35 HB THR 35 9.734 -19.323 -7.597 180 HG1 THR 35 HG1 THR 35 10.700 -20.687 -9.877 181 HG21 THR 35 HG21 THR 35 8.361 -19.306 -10.290 182 HG22 THR 35 HG22 THR 35 7.858 -18.460 -8.807 183 HG23 THR 35 HG23 THR 35 7.762 -20.205 -8.908 184 HA PRO 36 HA PRO 36 11.209 -14.378 -7.896 185 HB2 PRO 36 HB2 PRO 36 8.570 -13.562 -7.350 186 HB3 PRO 36 HB3 PRO 36 9.527 -13.141 -8.782 187 HG2 PRO 36 HG2 PRO 36 7.443 -15.206 -8.476 188 HG3 PRO 36 HG3 PRO 36 7.905 -14.261 -9.904 189 HD2 PRO 36 HD2 PRO 36 8.595 -16.879 -9.609 190 HD3 PRO 36 HD3 PRO 36 9.633 -15.708 -10.469 191 H GLN 37 H GLN 37 8.883 -16.497 -6.396 192 HA GLN 37 HA GLN 37 9.168 -15.260 -3.803 193 HB2 GLN 37 HB2 GLN 37 7.738 -17.846 -4.446 194 HB3 GLN 37 HB3 GLN 37 7.567 -16.880 -2.996 195 HG2 GLN 37 HG2 GLN 37 5.652 -16.311 -4.108 196 HG3 GLN 37 HG3 GLN 37 6.733 -15.057 -4.703 197 HE21 GLN 37 HE21 GLN 37 4.337 -16.146 -5.906 198 HE22 GLN 37 HE22 GLN 37 4.802 -16.764 -7.452 199 H GLN 38 H GLN 38 10.896 -17.595 -5.576 200 HA GLN 38 HA GLN 38 11.551 -19.202 -3.250 201 HB2 GLN 38 HB2 GLN 38 12.276 -19.513 -6.164 202 HB3 GLN 38 HB3 GLN 38 12.751 -20.624 -4.894 203 HG2 GLN 38 HG2 GLN 38 9.913 -20.001 -5.688 204 HG3 GLN 38 HG3 GLN 38 10.814 -21.444 -6.159 205 HE21 GLN 38 HE21 GLN 38 8.324 -21.201 -4.677 206 HE22 GLN 38 HE22 GLN 38 8.621 -21.971 -3.151 207 H LEU 39 H LEU 39 12.542 -16.350 -4.022 208 HA LEU 39 HA LEU 39 15.351 -17.049 -3.653 209 HB2 LEU 39 HB2 LEU 39 16.068 -15.000 -4.579 210 HB3 LEU 39 HB3 LEU 39 14.762 -15.499 -5.616 211 HG LEU 39 HG LEU 39 13.311 -13.854 -4.274 212 HD11 LEU 39 HD11 LEU 39 16.068 -12.731 -3.594 213 HD12 LEU 39 HD12 LEU 39 15.052 -13.531 -2.443 214 HD13 LEU 39 HD13 LEU 39 14.515 -12.008 -3.164 215 HD21 LEU 39 HD21 LEU 39 13.979 -13.470 -6.557 216 HD22 LEU 39 HD22 LEU 39 15.553 -12.880 -6.023 217 HD23 LEU 39 HD23 LEU 39 14.095 -11.963 -5.645 218 H HIS 40 H HIS 40 16.530 -15.900 -2.094 219 HA HIS 40 HA HIS 40 15.019 -15.518 0.353 220 HB2 HIS 40 HB2 HIS 40 17.989 -15.507 -0.149 221 HB3 HIS 40 HB3 HIS 40 17.142 -15.623 1.374 222 HD1 HIS 40 HD1 HIS 40 18.748 -17.777 -1.045 223 HD2 HIS 40 HD2 HIS 40 15.534 -18.125 1.565 224 HE1 HIS 40 HE1 HIS 40 18.334 -20.243 -0.766 225 H GLU 41 H GLU 41 14.420 -13.377 0.746 226 HA GLU 41 HA GLU 41 16.090 -11.336 -0.471 227 HB2 GLU 41 HB2 GLU 41 14.526 -9.663 0.292 228 HB3 GLU 41 HB3 GLU 41 13.706 -10.891 -0.675 229 HG2 GLU 41 HG2 GLU 41 12.744 -11.780 1.352 230 HG3 GLU 41 HG3 GLU 41 13.690 -10.643 2.326 231 H GLU 42 H GLU 42 15.551 -12.775 2.501 232 HA GLU 42 HA GLU 42 16.914 -10.755 4.036 233 HB2 GLU 42 HB2 GLU 42 16.363 -12.124 5.959 234 HB3 GLU 42 HB3 GLU 42 14.946 -11.956 4.949 235 HG2 GLU 42 HG2 GLU 42 16.687 -14.377 5.338 236 HG3 GLU 42 HG3 GLU 42 14.980 -14.195 5.740 237 H SER 43 H SER 43 17.591 -13.793 2.513 238 HA SER 43 HA SER 43 20.186 -13.997 3.738 239 HB2 SER 43 HB2 SER 43 18.981 -15.535 1.478 240 HB3 SER 43 HB3 SER 43 20.441 -15.978 2.345 241 HG SER 43 HG SER 43 17.771 -15.910 3.358 242 H ASN 44 H ASN 44 22.020 -14.412 2.110 243 HA ASN 44 HA ASN 44 22.228 -11.883 0.854 244 HB2 ASN 44 HB2 ASN 44 24.073 -12.984 2.255 245 HB3 ASN 44 HB3 ASN 44 24.341 -14.025 0.862 246 HD21 ASN 44 HD21 ASN 44 26.144 -12.180 2.147 247 HD22 ASN 44 HD22 ASN 44 26.656 -11.068 0.926 248 H LEU 45 H LEU 45 22.225 -11.360 -1.142 249 HA LEU 45 HA LEU 45 21.289 -13.182 -3.124 250 HB2 LEU 45 HB2 LEU 45 22.182 -10.322 -3.385 251 HB3 LEU 45 HB3 LEU 45 21.353 -11.240 -4.621 252 HG LEU 45 HG LEU 45 20.197 -10.491 -1.939 253 HD11 LEU 45 HD11 LEU 45 20.502 -8.569 -3.384 254 HD12 LEU 45 HD12 LEU 45 18.791 -8.978 -3.239 255 HD13 LEU 45 HD13 LEU 45 19.684 -9.413 -4.699 256 HD21 LEU 45 HD21 LEU 45 19.264 -12.585 -2.780 257 HD22 LEU 45 HD22 LEU 45 18.947 -11.830 -4.339 258 HD23 LEU 45 HD23 LEU 45 18.077 -11.286 -2.904 259 H ILE 46 H ILE 46 24.426 -12.016 -2.192 260 HA ILE 46 HA ILE 46 25.692 -12.484 -4.747 261 HB ILE 46 HB ILE 46 27.120 -12.318 -2.059 262 HG12 ILE 46 HG12 ILE 46 25.676 -10.350 -2.250 263 HG13 ILE 46 HG11 ILE 46 27.370 -9.901 -2.369 264 HG21 ILE 46 HG21 ILE 46 28.026 -11.627 -4.862 265 HG22 ILE 46 HG22 ILE 46 28.582 -12.997 -3.894 266 HG23 ILE 46 HG23 ILE 46 28.960 -11.336 -3.402 267 HD11 ILE 46 HD11 ILE 46 27.066 -9.765 -4.849 268 HD12 ILE 46 HD12 ILE 46 26.117 -8.613 -3.916 269 HD13 ILE 46 HD13 ILE 46 25.337 -10.043 -4.581 270 H GLN 47 H GLN 47 24.487 -14.441 -2.382 271 HA GLN 47 HA GLN 47 26.313 -16.592 -2.839 272 HB2 GLN 47 HB2 GLN 47 24.051 -16.181 -0.989 273 HB3 GLN 47 HB3 GLN 47 24.303 -17.839 -1.515 274 HG2 GLN 47 HG2 GLN 47 25.461 -17.368 0.588 275 HG3 GLN 47 HG3 GLN 47 26.582 -17.796 -0.695 276 HE21 GLN 47 HE21 GLN 47 27.945 -16.176 -1.529 277 HE22 GLN 47 HE22 GLN 47 28.244 -14.718 -0.657 278 H ALA 48 H ALA 48 23.850 -15.262 -4.505 279 HA ALA 48 HA ALA 48 23.044 -17.756 -5.793 280 HB1 ALA 48 HB1 ALA 48 21.216 -16.237 -5.144 281 HB2 ALA 48 HB2 ALA 48 21.318 -16.385 -6.898 282 HB3 ALA 48 HB3 ALA 48 21.950 -14.947 -6.096 283 H GLY 49 H GLY 49 22.762 -17.228 -8.351 284 HA2 GLY 49 HA2 GLY 49 25.495 -16.763 -9.161 285 HA3 GLY 49 HA3 GLY 49 24.185 -17.331 -10.183 286 H LEU 50 H LEU 50 25.743 -14.539 -8.813 287 HA LEU 50 HA LEU 50 24.905 -13.025 -11.094 288 HB2 LEU 50 HB2 LEU 50 24.270 -11.060 -9.713 289 HB3 LEU 50 HB3 LEU 50 23.155 -12.399 -9.644 290 HG LEU 50 HG LEU 50 24.246 -12.954 -7.408 291 HD11 LEU 50 HD11 LEU 50 26.241 -11.537 -7.626 292 HD12 LEU 50 HD12 LEU 50 25.277 -11.087 -6.224 293 HD13 LEU 50 HD13 LEU 50 25.213 -10.105 -7.680 294 HD21 LEU 50 HD21 LEU 50 22.810 -11.321 -6.276 295 HD22 LEU 50 HD22 LEU 50 22.045 -12.068 -7.692 296 HD23 LEU 50 HD23 LEU 50 22.687 -10.431 -7.803 297 H ASP 51 H ASP 51 26.193 -11.054 -11.252 298 HA ASP 51 HA ASP 51 28.746 -11.195 -9.868 299 HB2 ASP 51 HB2 ASP 51 29.788 -10.420 -12.092 300 HB3 ASP 51 HB3 ASP 51 29.236 -12.084 -12.048 301 H 4HJ 52 H 4HJ 52 29.540 -8.727 -11.547 302 HA 4HJ 52 HA 4HJ 52 28.256 -7.065 -9.587 303 HAA 4HJ 52 HAA 4HJ 52 28.193 -9.831 -7.598 304 HB3 4HJ 52 HB3 4HJ 52 30.199 -5.476 -10.123 305 HB2 4HJ 52 HB2 4HJ 52 30.658 -7.018 -9.391 306 HZ1 4HJ 52 HZ1 4HJ 52 29.491 -11.812 -7.010 307 HZ2 4HJ 52 HZ2 4HJ 52 29.200 -7.588 -7.488 308 HZ 4HJ 52 HZ 4HJ 52 32.929 -11.577 -6.109 309 HJ2 4HJ 52 HJ2 4HJ 52 32.199 -2.867 -11.745 310 HJ3 4HJ 52 HJ3 4HJ 52 30.925 -3.569 -10.770 311 HL12 4HJ 52 HL12 4HJ 52 31.619 -4.412 -8.426 312 HL11 4HJ 52 HL11 4HJ 52 33.163 -4.001 -7.735 313 HL13 4HJ 52 HL13 4HJ 52 33.029 -5.085 -9.180 314 HL22 4HJ 52 HL22 4HJ 52 31.604 -1.139 -9.788 315 HL21 4HJ 52 HL21 4HJ 52 32.264 -1.425 -8.140 316 HL23 4HJ 52 HL23 4HJ 52 30.874 -2.285 -8.721 317 HM 4HJ 52 HM 4HJ 52 34.789 -0.810 -10.359 318 HN 4HJ 52 HN 4HJ 52 35.762 -3.578 -7.649 319 HL3 4HJ 52 HL3 4HJ 52 34.706 -3.013 -10.746 320 HO2 4HJ 52 HO2 4HJ 52 34.870 -1.658 -5.851 321 HO3 4HJ 52 HO3 4HJ 52 33.421 -2.199 -6.734 322 HP2 4HJ 52 HP2 4HJ 52 35.010 -3.783 -4.846 323 HP3 4HJ 52 HP3 4HJ 52 34.226 -4.601 -6.168 324 HS2 4HJ 52 HS2 4HJ 52 31.738 -5.632 -2.858 325 HS3 4HJ 52 HS3 4HJ 52 33.484 -5.743 -3.239 326 HT3 4HJ 52 HT3 4HJ 52 32.379 -7.929 -3.263 327 HT2 4HJ 52 HT2 4HJ 52 31.455 -7.395 -4.653 328 HY2 4HJ 52 HY2 4HJ 52 31.547 -7.304 -6.726 329 HR 4HJ 52 HR 4HJ 52 31.724 -5.174 -5.465 330 H ILE 53 H ILE 53 28.307 -7.749 -12.862 331 HA ILE 53 HA ILE 53 27.624 -5.124 -13.711 332 HB ILE 53 HB ILE 53 28.625 -7.233 -14.993 333 HG12 ILE 53 HG12 ILE 53 28.668 -5.039 -15.896 334 HG13 ILE 53 HG11 ILE 53 28.089 -6.160 -17.127 335 HG21 ILE 53 HG21 ILE 53 26.627 -8.631 -14.939 336 HG22 ILE 53 HG22 ILE 53 26.989 -8.192 -16.608 337 HG23 ILE 53 HG23 ILE 53 25.693 -7.369 -15.740 338 HD11 ILE 53 HD11 ILE 53 26.493 -4.227 -15.496 339 HD12 ILE 53 HD12 ILE 53 25.778 -5.455 -16.512 340 HD13 ILE 53 HD13 ILE 53 26.755 -4.147 -17.253 341 H ARG 54 H ARG 54 26.136 -7.811 -12.432 342 HA ARG 54 HA ARG 54 23.443 -7.260 -13.126 343 HB2 ARG 54 HB2 ARG 54 24.238 -8.582 -10.546 344 HB3 ARG 54 HB3 ARG 54 22.804 -8.870 -11.527 345 HG2 ARG 54 HG2 ARG 54 25.575 -9.412 -12.319 346 HG3 ARG 54 HG3 ARG 54 24.478 -10.668 -11.688 347 HD2 ARG 54 HD2 ARG 54 23.178 -10.481 -13.677 348 HD3 ARG 54 HD3 ARG 54 24.109 -9.037 -14.214 349 HE ARG 54 HE ARG 54 26.054 -10.627 -14.090 350 HH11 ARG 54 HH11 ARG 54 22.865 -11.567 -15.311 351 HH12 ARG 54 HH12 ARG 54 23.419 -12.953 -16.122 352 HH21 ARG 54 HH21 ARG 54 26.813 -12.404 -15.114 353 HH22 ARG 54 HH22 ARG 54 25.843 -13.481 -16.047 354 H LEU 55 H LEU 55 25.548 -6.655 -10.359 355 HA LEU 55 HA LEU 55 23.824 -5.121 -8.778 356 HB2 LEU 55 HB2 LEU 55 26.751 -5.530 -8.883 357 HB3 LEU 55 HB3 LEU 55 26.198 -4.089 -8.071 358 HG LEU 55 HG LEU 55 26.662 -5.931 -6.531 359 HD11 LEU 55 HD11 LEU 55 23.763 -5.121 -6.608 360 HD12 LEU 55 HD12 LEU 55 25.096 -4.244 -5.856 361 HD13 LEU 55 HD13 LEU 55 24.615 -5.808 -5.225 362 HD21 LEU 55 HD21 LEU 55 26.048 -7.821 -7.940 363 HD22 LEU 55 HD22 LEU 55 24.350 -7.338 -7.870 364 HD23 LEU 55 HD23 LEU 55 25.186 -7.864 -6.405 365 H MET 56 H MET 56 26.321 -3.986 -11.109 366 HA MET 56 HA MET 56 25.715 -1.271 -10.689 367 HB2 MET 56 HB2 MET 56 27.117 -2.718 -12.908 368 HB3 MET 56 HB3 MET 56 26.721 -1.014 -13.063 369 HG2 MET 56 HG2 MET 56 29.054 -1.437 -12.347 370 HG3 MET 56 HG3 MET 56 28.142 -0.426 -11.246 371 HE1 MET 56 HE1 MET 56 28.121 -0.868 -8.719 372 HE2 MET 56 HE2 MET 56 28.037 -2.476 -7.995 373 HE3 MET 56 HE3 MET 56 26.760 -1.934 -9.086 374 H ARG 57 H ARG 57 24.201 -3.610 -12.735 375 HA ARG 57 HA ARG 57 22.488 -1.818 -14.240 376 HB2 ARG 57 HB2 ARG 57 23.017 -4.274 -14.607 377 HB3 ARG 57 HB3 ARG 57 21.770 -4.529 -13.383 378 HG2 ARG 57 HG2 ARG 57 20.427 -2.828 -14.794 379 HG3 ARG 57 HG3 ARG 57 21.543 -3.314 -16.076 380 HD2 ARG 57 HD2 ARG 57 20.030 -4.989 -14.318 381 HD3 ARG 57 HD3 ARG 57 19.505 -4.575 -15.982 382 HE ARG 57 HE ARG 57 21.754 -5.684 -16.591 383 HH11 ARG 57 HH11 ARG 57 19.786 -6.868 -13.850 384 HH12 ARG 57 HH12 ARG 57 20.339 -8.470 -13.999 385 HH21 ARG 57 HH21 ARG 57 22.477 -7.972 -16.744 386 HH22 ARG 57 HH22 ARG 57 21.795 -9.088 -15.645 387 H TRP 58 H TRP 58 22.062 -3.664 -11.264 388 HA TRP 58 HA TRP 58 19.434 -2.746 -10.631 389 HB2 TRP 58 HB2 TRP 58 21.598 -3.669 -8.744 390 HB3 TRP 58 HB3 TRP 58 19.875 -3.479 -8.384 391 HD1 TRP 58 HD1 TRP 58 21.951 -6.194 -8.776 392 HE1 TRP 58 HE1 TRP 58 20.901 -8.186 -10.069 393 HE3 TRP 58 HE3 TRP 58 17.910 -3.820 -10.907 394 HZ2 TRP 58 HZ2 TRP 58 18.711 -8.654 -11.730 395 HZ3 TRP 58 HZ3 TRP 58 16.402 -5.118 -12.303 396 HH2 TRP 58 HH2 TRP 58 16.767 -7.483 -12.702 397 H LEU 59 H LEU 59 22.479 -1.398 -9.724 398 HA LEU 59 HA LEU 59 21.644 0.666 -8.104 399 HB2 LEU 59 HB2 LEU 59 23.902 0.255 -9.915 400 HB3 LEU 59 HB3 LEU 59 23.572 1.917 -9.480 401 HG LEU 59 HG LEU 59 25.249 0.867 -8.086 402 HD11 LEU 59 HD11 LEU 59 24.350 1.669 -5.964 403 HD12 LEU 59 HD12 LEU 59 22.708 1.559 -6.620 404 HD13 LEU 59 HD13 LEU 59 23.850 2.710 -7.304 405 HD21 LEU 59 HD21 LEU 59 22.982 -0.881 -7.174 406 HD22 LEU 59 HD22 LEU 59 24.615 -0.855 -6.468 407 HD23 LEU 59 HD23 LEU 59 24.355 -1.393 -8.137 408 H HIS 60 H HIS 60 21.962 0.755 -11.563 409 HA HIS 60 HA HIS 60 21.068 3.457 -11.745 410 HB2 HIS 60 HB2 HIS 60 22.761 2.432 -13.117 411 HB3 HIS 60 HB3 HIS 60 21.588 1.337 -13.819 412 HD1 HIS 60 HD1 HIS 60 22.999 4.751 -14.233 413 HD2 HIS 60 HD2 HIS 60 19.673 2.651 -15.571 414 HE1 HIS 60 HE1 HIS 60 22.071 6.061 -16.173 415 H TRP 61 H TRP 61 19.655 0.345 -11.808 416 HA TRP 61 HA TRP 61 17.311 0.959 -13.244 417 HB2 TRP 61 HB2 TRP 61 18.296 -1.297 -12.976 418 HB3 TRP 61 HB3 TRP 61 17.850 -1.250 -11.281 419 HD1 TRP 61 HD1 TRP 61 16.126 -1.085 -14.725 420 HE1 TRP 61 HE1 TRP 61 13.813 -2.182 -14.499 421 HE3 TRP 61 HE3 TRP 61 16.236 -2.027 -9.754 422 HZ2 TRP 61 HZ2 TRP 61 12.247 -3.320 -12.425 423 HZ3 TRP 61 HZ3 TRP 61 14.315 -3.117 -8.711 424 HH2 TRP 61 HH2 TRP 61 12.380 -3.749 -10.002 425 H PHE 62 H PHE 62 17.843 0.518 -9.726 426 HA PHE 62 HA PHE 62 15.301 1.781 -9.254 427 HB2 PHE 62 HB2 PHE 62 16.544 1.979 -6.769 428 HB3 PHE 62 HB3 PHE 62 15.389 0.740 -7.257 429 HD1 PHE 62 HD1 PHE 62 18.832 1.656 -6.742 430 HD2 PHE 62 HD2 PHE 62 16.113 -1.423 -7.715 431 HE1 PHE 62 HE1 PHE 62 20.622 -0.060 -6.371 432 HE2 PHE 62 HE2 PHE 62 17.825 -3.115 -7.378 433 HZ PHE 62 HZ PHE 62 20.067 -2.472 -6.770 434 H ARG 63 H ARG 63 18.384 2.937 -9.758 435 HA ARG 63 HA ARG 63 18.290 5.395 -8.535 436 HB2 ARG 63 HB2 ARG 63 20.152 4.348 -9.971 437 HB3 ARG 63 HB3 ARG 63 19.337 5.086 -11.339 438 HG2 ARG 63 HG2 ARG 63 21.167 6.480 -10.612 439 HG3 ARG 63 HG3 ARG 63 19.635 7.298 -10.279 440 HD2 ARG 63 HD2 ARG 63 19.738 6.743 -7.971 441 HD3 ARG 63 HD3 ARG 63 21.066 5.617 -8.239 442 HE ARG 63 HE ARG 63 21.466 8.444 -8.805 443 HH11 ARG 63 HH11 ARG 63 22.006 5.686 -6.687 444 HH12 ARG 63 HH12 ARG 63 23.389 6.287 -5.910 445 HH21 ARG 63 HH21 ARG 63 23.396 9.390 -7.685 446 HH22 ARG 63 HH22 ARG 63 24.169 8.473 -6.480 447 H LYS 64 H LYS 64 16.543 4.210 -11.335 448 HA LYS 64 HA LYS 64 15.376 6.309 -12.691 449 HB2 LYS 64 HB2 LYS 64 14.038 3.928 -11.512 450 HB3 LYS 64 HB3 LYS 64 13.274 5.062 -12.602 451 HG2 LYS 64 HG2 LYS 64 15.087 4.473 -14.250 452 HG3 LYS 64 HG3 LYS 64 15.501 3.144 -13.153 453 HD2 LYS 64 HD2 LYS 64 12.760 3.691 -13.967 454 HD3 LYS 64 HD3 LYS 64 13.786 2.773 -15.069 455 HE2 LYS 64 HE2 LYS 64 12.347 1.217 -13.692 456 HE3 LYS 64 HE3 LYS 64 14.042 0.982 -13.335 457 HZ1 LYS 64 HZ1 LYS 64 12.478 0.976 -11.361 458 HZ2 LYS 64 HZ2 LYS 64 12.283 2.639 -11.520 459 HZ3 LYS 64 HZ3 LYS 64 13.801 1.961 -11.252 460 H ASN 65 H ASN 65 14.751 5.144 -9.482 461 HA ASN 65 HA ASN 65 12.326 6.714 -9.133 462 HB2 ASN 65 HB2 ASN 65 13.584 4.827 -7.160 463 HB3 ASN 65 HB3 ASN 65 11.896 5.280 -7.323 464 HD21 ASN 65 HD21 ASN 65 13.288 2.682 -7.256 465 HD22 ASN 65 HD22 ASN 65 12.792 1.798 -8.636 466 H GLY 66 H GLY 66 15.463 7.369 -8.933 467 HA2 GLY 66 HA2 GLY 66 16.661 9.008 -7.882 468 HA3 GLY 66 HA3 GLY 66 15.192 9.463 -7.034 469 H TYR 67 H TYR 67 16.737 6.243 -6.897 470 HA TYR 67 HA TYR 67 16.705 6.637 -4.104 471 HB2 TYR 67 HB2 TYR 67 17.218 4.179 -5.711 472 HB3 TYR 67 HB3 TYR 67 17.570 4.219 -3.981 473 HD1 TYR 67 HD1 TYR 67 15.494 5.640 -2.706 474 HD2 TYR 67 HD2 TYR 67 15.163 3.092 -6.121 475 HE1 TYR 67 HE1 TYR 67 13.147 5.243 -2.200 476 HE2 TYR 67 HE2 TYR 67 12.811 2.688 -5.562 477 HH TYR 67 HH TYR 67 11.082 4.529 -3.351 478 H ARG 68 H ARG 68 17.975 7.242 -2.886 479 HA ARG 68 HA ARG 68 20.555 8.264 -3.329 480 HB2 ARG 68 HB2 ARG 68 19.164 7.478 -0.771 481 HB3 ARG 68 HB3 ARG 68 20.541 8.557 -0.891 482 HG2 ARG 68 HG2 ARG 68 19.275 10.296 -1.750 483 HG3 ARG 68 HG3 ARG 68 18.031 9.213 -2.378 484 HD2 ARG 68 HD2 ARG 68 18.529 9.678 0.566 485 HD3 ARG 68 HD3 ARG 68 17.324 10.560 -0.376 486 HE ARG 68 HE ARG 68 16.852 7.865 -0.795 487 HH11 ARG 68 HH11 ARG 68 16.755 9.996 2.073 488 HH12 ARG 68 HH12 ARG 68 15.524 9.114 2.818 489 HH21 ARG 68 HH21 ARG 68 15.103 6.675 0.299 490 HH22 ARG 68 HH22 ARG 68 14.540 7.243 1.783 491 H LEU 69 H LEU 69 21.884 6.481 -4.128 492 HA LEU 69 HA LEU 69 22.775 4.583 -2.043 493 HB2 LEU 69 HB2 LEU 69 21.944 3.756 -4.803 494 HB3 LEU 69 HB3 LEU 69 22.767 2.755 -3.628 495 HG LEU 69 HG LEU 69 20.000 3.896 -3.205 496 HD11 LEU 69 HD11 LEU 69 20.860 1.152 -4.068 497 HD12 LEU 69 HD12 LEU 69 19.990 2.334 -5.048 498 HD13 LEU 69 HD13 LEU 69 19.218 1.621 -3.630 499 HD21 LEU 69 HD21 LEU 69 21.583 1.804 -1.711 500 HD22 LEU 69 HD22 LEU 69 19.895 2.229 -1.422 501 HD23 LEU 69 HD23 LEU 69 21.158 3.423 -1.135 502 H THR 70 H THR 70 24.682 4.046 -1.986 503 HA THR 70 HA THR 70 26.490 4.846 -4.118 504 HB THR 70 HB THR 70 27.165 4.178 -1.230 505 HG1 THR 70 HG1 THR 70 27.198 6.471 -0.888 506 HG21 THR 70 HG21 THR 70 29.021 4.069 -2.833 507 HG22 THR 70 HG22 THR 70 29.243 5.412 -1.709 508 HG23 THR 70 HG23 THR 70 28.676 5.719 -3.351 509 H LEU 71 H LEU 71 28.063 3.140 -4.530 510 HA LEU 71 HA LEU 71 26.690 0.788 -5.112 511 HB2 LEU 71 HB2 LEU 71 29.683 1.122 -5.149 512 HB3 LEU 71 HB3 LEU 71 28.720 -0.145 -5.895 513 HG LEU 71 HG LEU 71 29.423 1.345 -7.635 514 HD11 LEU 71 HD11 LEU 71 27.190 0.448 -7.766 515 HD12 LEU 71 HD12 LEU 71 27.310 2.013 -8.569 516 HD13 LEU 71 HD13 LEU 71 26.572 1.880 -6.957 517 HD21 LEU 71 HD21 LEU 71 28.092 3.570 -6.133 518 HD22 LEU 71 HD22 LEU 71 28.921 3.714 -7.691 519 HD23 LEU 71 HD23 LEU 71 29.840 3.348 -6.217 520 H ARG 72 H ARG 72 28.980 1.516 -2.673 521 HA ARG 72 HA ARG 72 29.676 -1.040 -1.677 522 HB2 ARG 72 HB2 ARG 72 30.771 1.249 -1.277 523 HB3 ARG 72 HB3 ARG 72 29.506 1.549 -0.114 524 HG2 ARG 72 HG2 ARG 72 31.555 -0.671 0.087 525 HG3 ARG 72 HG3 ARG 72 31.692 0.892 0.871 526 HD2 ARG 72 HD2 ARG 72 29.627 -1.249 1.403 527 HD3 ARG 72 HD3 ARG 72 30.952 -0.778 2.462 528 HE ARG 72 HE ARG 72 28.913 1.245 1.799 529 HH11 ARG 72 HH11 ARG 72 30.297 -0.892 4.249 530 HH12 ARG 72 HH12 ARG 72 29.381 -0.228 5.529 531 HH21 ARG 72 HH21 ARG 72 27.660 2.100 3.440 532 HH22 ARG 72 HH22 ARG 72 27.799 1.579 5.048 533 H GLU 73 H GLU 73 26.832 0.953 -1.180 534 HA GLU 73 HA GLU 73 26.179 -0.111 1.329 535 HB2 GLU 73 HB2 GLU 73 24.244 1.172 -0.580 536 HB3 GLU 73 HB3 GLU 73 24.150 1.117 1.176 537 HG2 GLU 73 HG2 GLU 73 26.133 2.570 -0.493 538 HG3 GLU 73 HG3 GLU 73 24.854 3.326 0.481 539 H LEU 74 H LEU 74 25.499 -0.958 -1.956 540 HA LEU 74 HA LEU 74 23.382 -2.826 -1.467 541 HB2 LEU 74 HB2 LEU 74 25.190 -2.468 -3.863 542 HB3 LEU 74 HB3 LEU 74 23.824 -3.551 -3.807 543 HG LEU 74 HG LEU 74 23.202 -1.668 -5.059 544 HD11 LEU 74 HD11 LEU 74 21.294 -0.798 -3.880 545 HD12 LEU 74 HD12 LEU 74 21.954 -1.395 -2.358 546 HD13 LEU 74 HD13 LEU 74 21.497 -2.532 -3.629 547 HD21 LEU 74 HD21 LEU 74 23.275 0.638 -4.244 548 HD22 LEU 74 HD22 LEU 74 24.892 -0.063 -4.312 549 HD23 LEU 74 HD23 LEU 74 24.047 0.089 -2.760 550 H TYR 75 H TYR 75 26.796 -2.845 -1.673 551 HA TYR 75 HA TYR 75 27.117 -5.717 -1.830 552 HB2 TYR 75 HB2 TYR 75 28.922 -3.374 -1.629 553 HB3 TYR 75 HB3 TYR 75 29.586 -4.987 -1.459 554 HD1 TYR 75 HD2 TYR 75 28.515 -6.580 -3.385 555 HD2 TYR 75 HD1 TYR 75 29.179 -2.425 -3.610 556 HE1 TYR 75 HE2 TYR 75 28.632 -6.761 -5.820 557 HE2 TYR 75 HE1 TYR 75 29.299 -2.553 -6.086 558 HH TYR 75 HH TYR 75 29.705 -4.197 -7.870 559 H ALA 76 H ALA 76 26.991 -3.291 0.617 560 HA ALA 76 HA ALA 76 28.410 -4.782 2.485 561 HB1 ALA 76 HB1 ALA 76 28.220 -2.366 2.720 562 HB2 ALA 76 HB2 ALA 76 27.616 -3.158 4.175 563 HB3 ALA 76 HB3 ALA 76 26.484 -2.510 2.988 564 H ALA 77 H ALA 77 25.002 -4.356 1.778 565 HA ALA 77 HA ALA 77 24.466 -6.825 3.209 566 HB1 ALA 77 HB1 ALA 77 22.749 -4.345 3.464 567 HB2 ALA 77 HB2 ALA 77 23.774 -5.018 4.733 568 HB3 ALA 77 HB3 ALA 77 22.382 -5.929 4.146 569 HA PRO 78 HA PRO 78 22.701 -6.726 -0.998 570 HB2 PRO 78 HB2 PRO 78 23.872 -9.302 -1.488 571 HB3 PRO 78 HB3 PRO 78 24.334 -7.751 -2.217 572 HG2 PRO 78 HG2 PRO 78 25.953 -9.144 -0.518 573 HG3 PRO 78 HG3 PRO 78 26.026 -7.388 -0.755 574 HD2 PRO 78 HD2 PRO 78 24.736 -8.932 1.447 575 HD3 PRO 78 HD3 PRO 78 25.682 -7.425 1.513 576 H THR 79 H THR 79 20.767 -6.960 0.046 577 HA THR 79 HA THR 79 19.538 -9.573 -0.086 578 HB THR 79 HB THR 79 18.475 -9.125 2.187 579 HG1 THR 79 HG1 THR 79 20.504 -7.165 2.258 580 HG21 THR 79 HG21 THR 79 20.314 -10.755 2.070 581 HG22 THR 79 HG22 THR 79 20.362 -9.858 3.589 582 HG23 THR 79 HG23 THR 79 21.483 -9.452 2.286 583 H LEU 80 H LEU 80 17.321 -9.188 -0.704 584 HA LEU 80 HA LEU 80 16.797 -6.575 -1.726 585 HB2 LEU 80 HB2 LEU 80 14.736 -8.720 -1.282 586 HB3 LEU 80 HB3 LEU 80 14.617 -7.272 -2.254 587 HG LEU 80 HG LEU 80 16.496 -9.498 -2.752 588 HD11 LEU 80 HD11 LEU 80 14.097 -10.062 -3.046 589 HD12 LEU 80 HD12 LEU 80 14.947 -10.032 -4.603 590 HD13 LEU 80 HD13 LEU 80 13.934 -8.665 -4.110 591 HD21 LEU 80 HD21 LEU 80 15.736 -7.079 -4.363 592 HD22 LEU 80 HD22 LEU 80 16.680 -8.419 -4.972 593 HD23 LEU 80 HD23 LEU 80 17.327 -7.415 -3.661 594 H ALA 81 H ALA 81 16.032 -8.268 1.124 595 HA ALA 81 HA ALA 81 14.053 -6.646 2.246 596 HB1 ALA 81 HB1 ALA 81 14.781 -7.490 4.428 597 HB2 ALA 81 HB2 ALA 81 16.286 -8.063 3.709 598 HB3 ALA 81 HB3 ALA 81 14.750 -8.787 3.232 599 H ALA 82 H ALA 82 17.611 -6.374 2.606 600 HA ALA 82 HA ALA 82 17.384 -3.929 4.035 601 HB1 ALA 82 HB1 ALA 82 19.800 -3.762 3.864 602 HB2 ALA 82 HB2 ALA 82 19.822 -5.062 2.672 603 HB3 ALA 82 HB3 ALA 82 19.331 -5.396 4.333 604 H TRP 83 H TRP 83 17.809 -4.765 0.653 605 HA TRP 83 HA TRP 83 18.451 -2.145 -0.184 606 HB2 TRP 83 HB2 TRP 83 17.192 -4.410 -1.750 607 HB3 TRP 83 HB3 TRP 83 17.680 -2.887 -2.473 608 HD1 TRP 83 HD1 TRP 83 20.294 -3.667 -0.027 609 HE1 TRP 83 HE1 TRP 83 22.303 -4.822 -1.122 610 HE3 TRP 83 HE3 TRP 83 18.163 -4.888 -4.506 611 HZ2 TRP 83 HZ2 TRP 83 22.913 -6.087 -3.583 612 HZ3 TRP 83 HZ3 TRP 83 19.530 -6.066 -6.182 613 HH2 TRP 83 HH2 TRP 83 21.854 -6.651 -5.726 614 H ASN 84 H ASN 84 15.344 -3.786 0.158 615 HA ASN 84 HA ASN 84 13.677 -1.716 -0.736 616 HB2 ASN 84 HB2 ASN 84 12.916 -4.024 -0.298 617 HB3 ASN 84 HB3 ASN 84 13.217 -3.804 1.416 618 HD21 ASN 84 HD21 ASN 84 11.118 -4.283 1.940 619 HD22 ASN 84 HD22 ASN 84 9.810 -3.191 1.622 620 H GLN 85 H GLN 85 15.081 -2.395 2.451 621 HA GLN 85 HA GLN 85 13.881 -0.281 3.862 622 HB2 GLN 85 HB2 GLN 85 15.010 -2.322 4.805 623 HB3 GLN 85 HB3 GLN 85 16.549 -1.620 4.348 624 HG2 GLN 85 HG2 GLN 85 16.108 -1.332 6.702 625 HG3 GLN 85 HG3 GLN 85 16.172 0.225 5.867 626 HE21 GLN 85 HE21 GLN 85 15.012 1.112 7.658 627 HE22 GLN 85 HE22 GLN 85 13.309 0.927 7.753 628 H LEU 86 H LEU 86 17.031 -0.616 2.236 629 HA LEU 86 HA LEU 86 18.155 1.858 2.645 630 HB2 LEU 86 HB2 LEU 86 18.279 0.120 0.193 631 HB3 LEU 86 HB3 LEU 86 19.221 1.581 0.385 632 HG LEU 86 HG LEU 86 19.428 -0.812 2.211 633 HD11 LEU 86 HD11 LEU 86 20.184 -1.305 -0.096 634 HD12 LEU 86 HD12 LEU 86 21.538 -1.232 1.040 635 HD13 LEU 86 HD13 LEU 86 21.196 0.137 -0.025 636 HD21 LEU 86 HD21 LEU 86 20.108 1.336 3.223 637 HD22 LEU 86 HD22 LEU 86 21.206 1.575 1.845 638 HD23 LEU 86 HD23 LEU 86 21.474 0.243 2.954 639 H MET 87 H MET 87 15.970 0.830 0.077 640 HA MET 87 HA MET 87 15.735 2.936 -1.599 641 HB2 MET 87 HB2 MET 87 13.567 1.210 -0.482 642 HB3 MET 87 HB3 MET 87 13.255 2.433 -1.694 643 HG2 MET 87 HG2 MET 87 14.865 1.301 -3.163 644 HG3 MET 87 HG3 MET 87 15.012 0.028 -1.944 645 HE1 MET 87 HE1 MET 87 14.114 -0.229 -4.964 646 HE2 MET 87 HE2 MET 87 12.816 -1.446 -4.834 647 HE3 MET 87 HE3 MET 87 14.322 -1.633 -3.903 648 H LEU 88 H LEU 88 13.668 2.471 1.175 649 HA LEU 88 HA LEU 88 12.659 5.056 0.767 650 HB2 LEU 88 HB2 LEU 88 11.087 4.394 2.679 651 HB3 LEU 88 HB3 LEU 88 10.911 3.802 1.045 652 HG LEU 88 HG LEU 88 12.380 1.836 1.994 653 HD11 LEU 88 HD11 LEU 88 11.850 1.307 4.273 654 HD12 LEU 88 HD12 LEU 88 10.971 2.846 4.408 655 HD13 LEU 88 HD13 LEU 88 12.707 2.851 4.091 656 HD21 LEU 88 HD21 LEU 88 9.436 2.201 2.383 657 HD22 LEU 88 HD22 LEU 88 10.290 0.633 2.322 658 HD23 LEU 88 HD23 LEU 88 10.287 1.721 0.918 659 H SER 89 H SER 89 14.737 3.663 3.212 660 HA SER 89 HA SER 89 14.278 5.965 4.853 661 HB2 SER 89 HB2 SER 89 16.140 3.666 5.176 662 HB3 SER 89 HB3 SER 89 15.882 4.950 6.353 663 HG SER 89 HG SER 89 14.500 3.454 6.963 664 H ARG 90 H ARG 90 16.956 4.904 2.714 665 HA ARG 90 HA ARG 90 19.213 5.659 3.733 666 HB2 ARG 90 HB2 ARG 90 18.329 6.134 0.965 667 HB3 ARG 90 HB3 ARG 90 19.907 6.721 1.460 668 HG2 ARG 90 HG2 ARG 90 19.190 3.928 2.097 669 HG3 ARG 90 HG3 ARG 90 19.544 4.327 0.417 670 HD2 ARG 90 HD2 ARG 90 21.573 3.598 1.346 671 HD3 ARG 90 HD3 ARG 90 21.689 5.337 1.242 672 HE ARG 90 HE ARG 90 20.904 4.779 3.875 673 HH11 ARG 90 HH11 ARG 90 23.543 3.982 1.705 674 HH12 ARG 90 HH12 ARG 90 24.717 3.745 2.902 675 HH21 ARG 90 HH21 ARG 90 22.507 4.539 5.578 676 HH22 ARG 90 HH22 ARG 90 24.101 4.136 5.174 677 H SER 91 H SER 91 18.565 7.115 5.287 678 HA SER 91 HA SER 91 20.026 9.526 5.008 679 HB2 SER 91 HB2 SER 91 17.016 9.922 5.403 680 HB3 SER 91 HB3 SER 91 18.214 11.192 5.656 681 HG SER 91 HG SER 91 18.550 9.993 3.307 682 HA PRO 92 HA PRO 92 19.198 8.872 9.629 683 HB2 PRO 92 HB2 PRO 92 17.108 7.510 10.608 684 HB3 PRO 92 HB3 PRO 92 16.884 9.185 10.058 685 HG2 PRO 92 HG2 PRO 92 16.185 6.657 8.659 686 HG3 PRO 92 HG3 PRO 92 15.266 8.169 8.782 687 HD2 PRO 92 HD2 PRO 92 16.780 7.495 6.597 688 HD3 PRO 92 HD3 PRO 92 16.379 9.155 7.088 689 H GLU 93 H GLU 93 18.774 6.536 7.336 690 HA GLU 93 HA GLU 93 20.191 4.479 8.795 691 HB2 GLU 93 HB2 GLU 93 17.853 4.129 6.893 692 HB3 GLU 93 HB3 GLU 93 18.852 2.817 7.494 693 HG2 GLU 93 HG2 GLU 93 18.084 3.192 9.746 694 HG3 GLU 93 HG3 GLU 93 17.194 4.628 9.239 Start of MODEL 14 1 H ASP 14 HT1 ASP 14 7.970 -2.419 3.005 2 HA ASP 14 HA ASP 14 6.978 -3.860 0.665 3 HB2 ASP 14 HB2 ASP 14 4.958 -3.933 1.997 4 HB3 ASP 14 HB3 ASP 14 6.284 -4.593 2.966 5 H ASN 15 H ASN 15 7.981 -0.788 1.708 6 HA ASN 15 HA ASN 15 5.867 0.923 1.535 7 HB2 ASN 15 HB2 ASN 15 8.112 1.705 2.125 8 HB3 ASN 15 HB3 ASN 15 8.686 1.387 0.497 9 HD21 ASN 15 HD21 ASN 15 9.323 3.521 0.136 10 HD22 ASN 15 HD22 ASN 15 8.190 4.811 -0.021 11 H ARG 16 H ARG 16 5.011 2.228 -0.102 12 HA ARG 16 HA ARG 16 4.152 0.540 -2.217 13 HB2 ARG 16 HB2 ARG 16 3.523 3.480 -2.020 14 HB3 ARG 16 HB3 ARG 16 2.547 2.206 -2.738 15 HG2 ARG 16 HG2 ARG 16 3.062 2.676 0.203 16 HG3 ARG 16 HG3 ARG 16 1.537 2.849 -0.655 17 HD2 ARG 16 HD2 ARG 16 1.389 0.455 -0.977 18 HD3 ARG 16 HD3 ARG 16 3.017 0.226 -0.333 19 HE ARG 16 HE ARG 16 0.767 1.245 1.269 20 HH11 ARG 16 HH11 ARG 16 3.584 -0.986 0.985 21 HH12 ARG 16 HH12 ARG 16 3.547 -1.424 2.607 22 HH21 ARG 16 HH21 ARG 16 0.777 0.496 3.585 23 HH22 ARG 16 HH22 ARG 16 1.981 -0.631 4.038 24 H HIS 17 H HIS 17 6.458 3.177 -2.071 25 HA HIS 17 HA HIS 17 6.758 3.154 -4.959 26 HB2 HIS 17 HB2 HIS 17 6.993 5.265 -3.472 27 HB3 HIS 17 HB3 HIS 17 8.559 4.612 -3.005 28 HD1 HIS 17 HD1 HIS 17 9.081 7.150 -4.270 29 HD2 HIS 17 HD2 HIS 17 8.256 3.822 -6.637 30 HE1 HIS 17 HE1 HIS 17 9.877 7.705 -6.580 31 H ALA 18 H ALA 18 7.973 1.655 -2.195 32 HA ALA 18 HA ALA 18 10.483 0.767 -3.220 33 HB1 ALA 18 HB1 ALA 18 8.867 -0.332 -0.913 34 HB2 ALA 18 HB2 ALA 18 10.168 0.868 -0.809 35 HB3 ALA 18 HB3 ALA 18 10.525 -0.778 -1.316 36 H ALA 19 H ALA 19 7.261 -0.036 -3.722 37 HA ALA 19 HA ALA 19 7.294 -2.721 -4.411 38 HB1 ALA 19 HB1 ALA 19 5.742 -0.518 -5.772 39 HB2 ALA 19 HB2 ALA 19 5.243 -1.371 -4.313 40 HB3 ALA 19 HB3 ALA 19 5.377 -2.242 -5.842 41 H ASP 20 H ASP 20 8.797 -0.042 -5.986 42 HA ASP 20 HA ASP 20 9.238 -1.036 -8.549 43 HB2 ASP 20 HB2 ASP 20 9.983 1.214 -7.796 44 HB3 ASP 20 HB3 ASP 20 11.221 0.466 -6.792 45 H TYR 21 H TYR 21 10.770 -1.784 -5.456 46 HA TYR 21 HA TYR 21 12.766 -3.569 -6.386 47 HB2 TYR 21 HB2 TYR 21 13.505 -3.345 -4.265 48 HB3 TYR 21 HB3 TYR 21 12.072 -2.417 -3.883 49 HD1 TYR 21 HD1 TYR 21 13.330 -5.900 -4.063 50 HD2 TYR 21 HD2 TYR 21 10.619 -3.214 -2.221 51 HE1 TYR 21 HE1 TYR 21 12.709 -7.628 -2.557 52 HE2 TYR 21 HE2 TYR 21 9.966 -4.956 -0.632 53 HH TYR 21 HH TYR 21 11.682 -7.919 -0.254 54 H GLN 22 H GLN 22 9.403 -3.990 -5.846 55 HA GLN 22 HA GLN 22 9.380 -6.818 -5.467 56 HB2 GLN 22 HB2 GLN 22 7.417 -5.073 -5.299 57 HB3 GLN 22 HB3 GLN 22 7.259 -5.326 -7.021 58 HG2 GLN 22 HG2 GLN 22 6.805 -7.328 -4.809 59 HG3 GLN 22 HG3 GLN 22 5.612 -6.645 -5.900 60 HE21 GLN 22 HE21 GLN 22 5.666 -7.353 -8.128 61 HE22 GLN 22 HE22 GLN 22 6.330 -8.897 -8.502 62 H GLN 23 H GLN 23 9.349 -4.714 -8.303 63 HA GLN 23 HA GLN 23 9.318 -6.951 -10.092 64 HB2 GLN 23 HB2 GLN 23 9.860 -4.056 -10.767 65 HB3 GLN 23 HB3 GLN 23 9.419 -5.334 -11.893 66 HG2 GLN 23 HG2 GLN 23 7.691 -4.153 -9.725 67 HG3 GLN 23 HG3 GLN 23 7.503 -3.941 -11.459 68 HE21 GLN 23 HE21 GLN 23 7.945 -6.893 -12.096 69 HE22 GLN 23 HE22 GLN 23 6.529 -7.610 -11.526 70 H LEU 24 H LEU 24 11.687 -5.090 -8.503 71 HA LEU 24 HA LEU 24 14.072 -5.665 -9.980 72 HB2 LEU 24 HB2 LEU 24 13.659 -4.182 -7.918 73 HB3 LEU 24 HB3 LEU 24 13.747 -5.635 -6.949 74 HG LEU 24 HG LEU 24 16.009 -4.448 -8.591 75 HD11 LEU 24 HD11 LEU 24 15.343 -3.024 -6.731 76 HD12 LEU 24 HD12 LEU 24 16.902 -3.784 -6.413 77 HD13 LEU 24 HD13 LEU 24 15.447 -4.398 -5.631 78 HD21 LEU 24 HD21 LEU 24 16.229 -6.862 -8.246 79 HD22 LEU 24 HD22 LEU 24 16.018 -6.628 -6.510 80 HD23 LEU 24 HD23 LEU 24 17.433 -5.961 -7.329 81 H ARG 25 H ARG 25 12.313 -7.458 -7.507 82 HA ARG 25 HA ARG 25 13.889 -9.738 -7.183 83 HB2 ARG 25 HB2 ARG 25 10.863 -9.724 -7.290 84 HB3 ARG 25 HB3 ARG 25 11.877 -10.891 -6.458 85 HG2 ARG 25 HG2 ARG 25 12.593 -9.216 -4.908 86 HG3 ARG 25 HG3 ARG 25 11.666 -7.970 -5.754 87 HD2 ARG 25 HD2 ARG 25 10.481 -8.659 -3.808 88 HD3 ARG 25 HD3 ARG 25 9.614 -9.282 -5.214 89 HE ARG 25 HE ARG 25 10.319 -11.451 -4.670 90 HH11 ARG 25 HH11 ARG 25 11.327 -9.068 -2.260 91 HH12 ARG 25 HH12 ARG 25 11.804 -10.158 -1.092 92 HH21 ARG 25 HH21 ARG 25 10.847 -13.029 -3.051 93 HH22 ARG 25 HH22 ARG 25 11.464 -12.527 -1.532 94 H GLU 26 H GLU 26 11.339 -9.072 -9.532 95 HA GLU 26 HA GLU 26 11.056 -11.433 -10.821 96 HB2 GLU 26 HB2 GLU 26 9.637 -9.484 -11.066 97 HB3 GLU 26 HB3 GLU 26 10.944 -8.602 -11.825 98 HG2 GLU 26 HG2 GLU 26 10.884 -10.501 -13.537 99 HG3 GLU 26 HG3 GLU 26 9.259 -10.784 -12.881 100 H ARG 27 H ARG 27 13.308 -8.768 -11.569 101 HA ARG 27 HA ARG 27 14.203 -10.098 -13.904 102 HB2 ARG 27 HB2 ARG 27 15.205 -7.625 -12.604 103 HB3 ARG 27 HB3 ARG 27 16.027 -8.323 -14.018 104 HG2 ARG 27 HG2 ARG 27 14.590 -7.023 -15.139 105 HG3 ARG 27 HG3 ARG 27 13.527 -8.399 -14.797 106 HD2 ARG 27 HD2 ARG 27 13.038 -7.097 -12.589 107 HD3 ARG 27 HD3 ARG 27 13.544 -5.705 -13.544 108 HE ARG 27 HE ARG 27 11.477 -7.485 -14.612 109 HH11 ARG 27 HH11 ARG 27 12.262 -4.316 -13.285 110 HH12 ARG 27 HH12 ARG 27 10.697 -3.676 -13.539 111 HH21 ARG 27 HH21 ARG 27 9.456 -6.739 -14.865 112 HH22 ARG 27 HH22 ARG 27 8.967 -5.137 -14.531 113 H LEU 28 H LEU 28 15.486 -9.954 -10.757 114 HA LEU 28 HA LEU 28 17.916 -11.350 -11.352 115 HB2 LEU 28 HB2 LEU 28 16.279 -11.437 -8.807 116 HB3 LEU 28 HB3 LEU 28 17.744 -12.366 -9.000 117 HG LEU 28 HG LEU 28 18.954 -10.178 -9.348 118 HD11 LEU 28 HD11 LEU 28 16.404 -9.034 -8.313 119 HD12 LEU 28 HD12 LEU 28 16.997 -8.915 -9.960 120 HD13 LEU 28 HD13 LEU 28 17.907 -8.162 -8.652 121 HD21 LEU 28 HD21 LEU 28 19.009 -9.638 -6.979 122 HD22 LEU 28 HD22 LEU 28 19.043 -11.384 -7.239 123 HD23 LEU 28 HD23 LEU 28 17.550 -10.596 -6.721 124 H ILE 29 H ILE 29 14.737 -12.424 -10.508 125 HA ILE 29 HA ILE 29 15.094 -15.144 -10.497 126 HB ILE 29 HB ILE 29 12.908 -13.268 -10.599 127 HG12 ILE 29 HG12 ILE 29 11.922 -14.839 -9.027 128 HG13 ILE 29 HG11 ILE 29 13.225 -15.965 -9.353 129 HG21 ILE 29 HG21 ILE 29 12.291 -15.919 -11.852 130 HG22 ILE 29 HG22 ILE 29 12.177 -14.332 -12.612 131 HG23 ILE 29 HG23 ILE 29 11.102 -14.749 -11.276 132 HD11 ILE 29 HD11 ILE 29 13.508 -13.214 -8.273 133 HD12 ILE 29 HD12 ILE 29 14.831 -14.378 -8.542 134 HD13 ILE 29 HD13 ILE 29 13.588 -14.700 -7.311 135 H GLN 30 H GLN 30 14.805 -13.042 -13.219 136 HA GLN 30 HA GLN 30 14.166 -15.040 -15.147 137 HB2 GLN 30 HB2 GLN 30 15.562 -12.419 -15.645 138 HB3 GLN 30 HB3 GLN 30 14.580 -13.361 -16.767 139 HG2 GLN 30 HG2 GLN 30 12.591 -12.914 -15.407 140 HG3 GLN 30 HG3 GLN 30 13.591 -12.012 -14.277 141 HE21 GLN 30 HE21 GLN 30 11.290 -11.110 -15.770 142 HE22 GLN 30 HE22 GLN 30 11.809 -9.768 -16.701 143 H GLU 31 H GLU 31 17.105 -13.610 -13.883 144 HA GLU 31 HA GLU 31 18.792 -15.029 -15.753 145 HB2 GLU 31 HB2 GLU 31 19.631 -13.384 -13.360 146 HB3 GLU 31 HB3 GLU 31 20.613 -13.818 -14.756 147 HG2 GLU 31 HG2 GLU 31 19.003 -12.504 -16.167 148 HG3 GLU 31 HG3 GLU 31 18.273 -11.985 -14.644 149 H LEU 32 H LEU 32 17.702 -15.294 -12.451 150 HA LEU 32 HA LEU 32 19.615 -17.269 -11.743 151 HB2 LEU 32 HB2 LEU 32 17.149 -16.332 -10.262 152 HB3 LEU 32 HB3 LEU 32 18.407 -17.364 -9.618 153 HG LEU 32 HG LEU 32 18.609 -14.539 -10.484 154 HD11 LEU 32 HD11 LEU 32 19.166 -14.093 -8.101 155 HD12 LEU 32 HD12 LEU 32 18.827 -15.788 -7.746 156 HD13 LEU 32 HD13 LEU 32 17.542 -14.733 -8.346 157 HD21 LEU 32 HD21 LEU 32 20.965 -14.586 -9.569 158 HD22 LEU 32 HD22 LEU 32 20.690 -15.463 -11.058 159 HD23 LEU 32 HD23 LEU 32 20.832 -16.350 -9.532 160 H ASN 33 H ASN 33 16.673 -17.247 -13.368 161 HA ASN 33 HA ASN 33 15.070 -18.673 -13.973 162 HB2 ASN 33 HB2 ASN 33 17.005 -19.894 -15.000 163 HB3 ASN 33 HB3 ASN 33 17.180 -20.830 -13.525 164 HD21 ASN 33 HD21 ASN 33 15.645 -22.408 -13.069 165 HD22 ASN 33 HD22 ASN 33 14.580 -23.053 -14.285 166 H LEU 34 H LEU 34 14.027 -18.027 -12.006 167 HA LEU 34 HA LEU 34 13.471 -20.184 -10.141 168 HB2 LEU 34 HB2 LEU 34 15.472 -18.942 -9.403 169 HB3 LEU 34 HB3 LEU 34 14.564 -17.456 -9.475 170 HG LEU 34 HG LEU 34 13.157 -18.329 -7.626 171 HD11 LEU 34 HD11 LEU 34 13.562 -20.701 -8.018 172 HD12 LEU 34 HD12 LEU 34 14.029 -20.249 -6.372 173 HD13 LEU 34 HD13 LEU 34 15.263 -20.488 -7.618 174 HD21 LEU 34 HD21 LEU 34 16.115 -18.196 -7.159 175 HD22 LEU 34 HD22 LEU 34 14.836 -17.807 -5.982 176 HD23 LEU 34 HD23 LEU 34 15.058 -16.827 -7.450 177 H THR 35 H THR 35 11.732 -18.974 -8.479 178 HA THR 35 HA THR 35 10.162 -17.126 -10.068 179 HB THR 35 HB THR 35 8.227 -17.920 -8.538 180 HG1 THR 35 HG1 THR 35 9.437 -20.364 -8.261 181 HG21 THR 35 HG21 THR 35 7.749 -19.894 -9.927 182 HG22 THR 35 HG22 THR 35 9.422 -19.902 -10.484 183 HG23 THR 35 HG23 THR 35 8.360 -18.558 -10.903 184 HA PRO 36 HA PRO 36 11.279 -13.956 -7.309 185 HB2 PRO 36 HB2 PRO 36 8.460 -13.100 -6.997 186 HB3 PRO 36 HB3 PRO 36 9.871 -12.209 -7.618 187 HG2 PRO 36 HG2 PRO 36 8.018 -13.060 -9.289 188 HG3 PRO 36 HG3 PRO 36 9.741 -13.119 -9.713 189 HD2 PRO 36 HD2 PRO 36 7.949 -15.347 -8.852 190 HD3 PRO 36 HD3 PRO 36 9.217 -15.324 -10.095 191 H GLN 37 H GLN 37 8.850 -16.067 -6.075 192 HA GLN 37 HA GLN 37 9.312 -15.009 -3.400 193 HB2 GLN 37 HB2 GLN 37 7.193 -16.938 -4.336 194 HB3 GLN 37 HB3 GLN 37 7.384 -16.381 -2.682 195 HG2 GLN 37 HG2 GLN 37 6.718 -14.659 -5.070 196 HG3 GLN 37 HG3 GLN 37 5.593 -15.181 -3.823 197 HE21 GLN 37 HE21 GLN 37 5.057 -13.092 -3.242 198 HE22 GLN 37 HE22 GLN 37 6.155 -12.046 -2.409 199 H GLN 38 H GLN 38 10.800 -17.182 -5.279 200 HA GLN 38 HA GLN 38 11.269 -19.026 -3.056 201 HB2 GLN 38 HB2 GLN 38 11.655 -19.382 -6.031 202 HB3 GLN 38 HB3 GLN 38 12.242 -20.520 -4.836 203 HG2 GLN 38 HG2 GLN 38 9.350 -19.751 -5.195 204 HG3 GLN 38 HG3 GLN 38 10.097 -21.219 -5.818 205 HE21 GLN 38 HE21 GLN 38 7.897 -20.856 -3.913 206 HE22 GLN 38 HE22 GLN 38 8.400 -21.697 -2.481 207 H LEU 39 H LEU 39 12.424 -16.311 -3.681 208 HA LEU 39 HA LEU 39 15.215 -17.151 -3.840 209 HB2 LEU 39 HB2 LEU 39 15.862 -14.953 -4.456 210 HB3 LEU 39 HB3 LEU 39 14.420 -15.263 -5.380 211 HG LEU 39 HG LEU 39 13.221 -13.892 -3.502 212 HD11 LEU 39 HD11 LEU 39 15.183 -13.794 -1.967 213 HD12 LEU 39 HD12 LEU 39 14.630 -12.187 -2.419 214 HD13 LEU 39 HD13 LEU 39 16.064 -12.881 -3.173 215 HD21 LEU 39 HD21 LEU 39 15.070 -12.595 -5.502 216 HD22 LEU 39 HD22 LEU 39 13.711 -11.805 -4.710 217 HD23 LEU 39 HD23 LEU 39 13.426 -13.150 -5.814 218 H HIS 40 H HIS 40 16.647 -16.428 -2.226 219 HA HIS 40 HA HIS 40 15.437 -16.527 0.348 220 HB2 HIS 40 HB2 HIS 40 18.313 -16.243 -0.487 221 HB3 HIS 40 HB3 HIS 40 17.693 -16.390 1.144 222 HD1 HIS 40 HD1 HIS 40 17.091 -18.618 2.018 223 HD2 HIS 40 HD2 HIS 40 18.012 -18.704 -2.017 224 HE1 HIS 40 HE1 HIS 40 17.253 -21.090 1.376 225 H GLU 41 H GLU 41 14.671 -14.836 1.269 226 HA GLU 41 HA GLU 41 15.534 -12.157 0.552 227 HB2 GLU 41 HB2 GLU 41 13.122 -12.775 0.900 228 HB3 GLU 41 HB3 GLU 41 13.483 -13.065 2.592 229 HG2 GLU 41 HG2 GLU 41 12.450 -10.910 2.343 230 HG3 GLU 41 HG3 GLU 41 14.134 -10.704 2.826 231 H GLU 42 H GLU 42 15.805 -14.495 3.088 232 HA GLU 42 HA GLU 42 17.044 -12.681 4.956 233 HB2 GLU 42 HB2 GLU 42 16.914 -14.481 6.528 234 HB3 GLU 42 HB3 GLU 42 15.399 -14.427 5.656 235 HG2 GLU 42 HG2 GLU 42 17.620 -16.446 5.405 236 HG3 GLU 42 HG3 GLU 42 15.978 -16.717 5.973 237 H SER 43 H SER 43 17.994 -14.891 2.526 238 HA SER 43 HA SER 43 20.684 -15.103 3.596 239 HB2 SER 43 HB2 SER 43 19.505 -16.336 1.130 240 HB3 SER 43 HB3 SER 43 21.104 -16.660 1.762 241 HG SER 43 HG SER 43 18.618 -17.299 3.034 242 H ASN 44 H ASN 44 22.382 -14.949 1.799 243 HA ASN 44 HA ASN 44 22.092 -12.207 0.992 244 HB2 ASN 44 HB2 ASN 44 24.070 -12.914 2.350 245 HB3 ASN 44 HB3 ASN 44 24.539 -13.983 1.041 246 HD21 ASN 44 HD21 ASN 44 25.959 -11.756 2.340 247 HD22 ASN 44 HD22 ASN 44 26.390 -10.693 1.053 248 H LEU 45 H LEU 45 22.038 -11.513 -1.013 249 HA LEU 45 HA LEU 45 21.288 -13.241 -3.096 250 HB2 LEU 45 HB2 LEU 45 22.208 -10.379 -3.283 251 HB3 LEU 45 HB3 LEU 45 21.383 -11.262 -4.549 252 HG LEU 45 HG LEU 45 20.211 -10.530 -1.865 253 HD11 LEU 45 HD11 LEU 45 18.801 -9.015 -3.154 254 HD12 LEU 45 HD12 LEU 45 19.675 -9.449 -4.621 255 HD13 LEU 45 HD13 LEU 45 20.510 -8.606 -3.315 256 HD21 LEU 45 HD21 LEU 45 18.949 -11.879 -4.258 257 HD22 LEU 45 HD22 LEU 45 18.090 -11.325 -2.824 258 HD23 LEU 45 HD23 LEU 45 19.269 -12.627 -2.692 259 H ILE 46 H ILE 46 24.420 -12.180 -2.094 260 HA ILE 46 HA ILE 46 25.722 -12.685 -4.626 261 HB ILE 46 HB ILE 46 27.047 -12.419 -1.900 262 HG12 ILE 46 HG12 ILE 46 25.625 -10.463 -2.269 263 HG13 ILE 46 HG11 ILE 46 27.324 -10.015 -2.337 264 HG21 ILE 46 HG21 ILE 46 28.047 -12.055 -4.714 265 HG22 ILE 46 HG22 ILE 46 28.666 -13.177 -3.493 266 HG23 ILE 46 HG23 ILE 46 28.913 -11.428 -3.323 267 HD11 ILE 46 HD11 ILE 46 26.000 -8.863 -4.013 268 HD12 ILE 46 HD12 ILE 46 25.489 -10.420 -4.679 269 HD13 ILE 46 HD13 ILE 46 27.181 -9.929 -4.774 270 H GLN 47 H GLN 47 24.452 -14.597 -2.228 271 HA GLN 47 HA GLN 47 26.293 -16.806 -2.498 272 HB2 GLN 47 HB2 GLN 47 23.628 -16.512 -1.147 273 HB3 GLN 47 HB3 GLN 47 24.508 -18.037 -1.173 274 HG2 GLN 47 HG2 GLN 47 26.307 -17.096 0.087 275 HG3 GLN 47 HG3 GLN 47 25.636 -15.476 -0.062 276 HE21 GLN 47 HE21 GLN 47 26.324 -17.086 2.302 277 HE22 GLN 47 HE22 GLN 47 24.866 -17.163 3.237 278 H ALA 48 H ALA 48 23.945 -15.430 -4.289 279 HA ALA 48 HA ALA 48 23.349 -17.885 -5.778 280 HB1 ALA 48 HB1 ALA 48 21.885 -15.228 -5.736 281 HB2 ALA 48 HB2 ALA 48 21.325 -16.725 -4.990 282 HB3 ALA 48 HB3 ALA 48 21.454 -16.609 -6.746 283 H GLY 49 H GLY 49 22.948 -16.984 -8.275 284 HA2 GLY 49 HA2 GLY 49 25.595 -16.053 -8.972 285 HA3 GLY 49 HA3 GLY 49 24.332 -16.538 -10.098 286 H LEU 50 H LEU 50 25.553 -13.927 -8.123 287 HA LEU 50 HA LEU 50 24.206 -12.045 -9.877 288 HB2 LEU 50 HB2 LEU 50 23.081 -12.232 -7.688 289 HB3 LEU 50 HB3 LEU 50 24.590 -11.822 -6.885 290 HG LEU 50 HG LEU 50 24.486 -9.800 -8.454 291 HD11 LEU 50 HD11 LEU 50 21.565 -10.493 -8.212 292 HD12 LEU 50 HD12 LEU 50 22.522 -10.380 -9.691 293 HD13 LEU 50 HD13 LEU 50 22.179 -8.928 -8.747 294 HD21 LEU 50 HD21 LEU 50 23.233 -8.497 -6.674 295 HD22 LEU 50 HD22 LEU 50 24.621 -9.417 -6.170 296 HD23 LEU 50 HD23 LEU 50 22.992 -10.046 -5.848 297 H ASP 51 H ASP 51 25.997 -11.429 -11.019 298 HA ASP 51 HA ASP 51 28.492 -10.980 -9.661 299 HB2 ASP 51 HB2 ASP 51 29.355 -10.393 -11.948 300 HB3 ASP 51 HB3 ASP 51 28.666 -12.008 -11.834 301 H 4HJ 52 H 4HJ 52 29.518 -8.737 -11.007 302 HA 4HJ 52 HA 4HJ 52 27.985 -6.760 -9.570 303 HAA 4HJ 52 HAA 4HJ 52 28.830 -10.371 -7.969 304 HB3 4HJ 52 HB3 4HJ 52 30.010 -5.267 -9.871 305 HB2 4HJ 52 HB2 4HJ 52 30.332 -6.746 -8.974 306 HZ1 4HJ 52 HZ1 4HJ 52 28.801 -10.621 -5.693 307 HZ2 4HJ 52 HZ2 4HJ 52 30.417 -8.827 -9.080 308 HZ 4HJ 52 HZ 4HJ 52 31.089 -8.779 -3.531 309 HJ2 4HJ 52 HJ2 4HJ 52 32.895 -4.133 -11.740 310 HJ3 4HJ 52 HJ3 4HJ 52 31.381 -3.637 -11.015 311 HL12 4HJ 52 HL12 4HJ 52 34.248 -3.722 -8.834 312 HL11 4HJ 52 HL11 4HJ 52 32.832 -2.922 -8.242 313 HL13 4HJ 52 HL13 4HJ 52 34.245 -1.941 -8.511 314 HL22 4HJ 52 HL22 4HJ 52 31.609 -1.362 -11.134 315 HL21 4HJ 52 HL21 4HJ 52 32.640 -0.510 -9.913 316 HL23 4HJ 52 HL23 4HJ 52 31.474 -1.715 -9.443 317 HM 4HJ 52 HM 4HJ 52 35.804 -1.064 -11.444 318 HN 4HJ 52 HN 4HJ 52 34.994 -5.168 -11.259 319 HL3 4HJ 52 HL3 4HJ 52 33.816 -2.077 -12.289 320 HO2 4HJ 52 HO2 4HJ 52 37.445 -4.648 -10.080 321 HO3 4HJ 52 HO3 4HJ 52 36.310 -3.563 -9.238 322 HP2 4HJ 52 HP2 4HJ 52 34.944 -5.507 -8.546 323 HP3 4HJ 52 HP3 4HJ 52 36.175 -6.525 -9.214 324 HS2 4HJ 52 HS2 4HJ 52 34.895 -4.156 -6.252 325 HS3 4HJ 52 HS3 4HJ 52 35.964 -4.349 -4.830 326 HT3 4HJ 52 HT3 4HJ 52 33.454 -4.859 -4.503 327 HT2 4HJ 52 HT2 4HJ 52 34.495 -6.247 -4.175 328 HY2 4HJ 52 HY2 4HJ 52 32.021 -7.548 -7.786 329 HR 4HJ 52 HR 4HJ 52 36.168 -6.733 -6.100 330 H ILE 53 H ILE 53 28.211 -7.816 -12.670 331 HA ILE 53 HA ILE 53 27.683 -5.217 -13.701 332 HB ILE 53 HB ILE 53 28.586 -7.492 -14.884 333 HG12 ILE 53 HG12 ILE 53 28.935 -5.313 -15.646 334 HG13 ILE 53 HG11 ILE 53 28.350 -6.314 -16.981 335 HG21 ILE 53 HG21 ILE 53 26.923 -8.203 -16.608 336 HG22 ILE 53 HG22 ILE 53 25.697 -7.222 -15.803 337 HG23 ILE 53 HG23 ILE 53 26.402 -8.612 -14.974 338 HD11 ILE 53 HD11 ILE 53 26.096 -5.366 -16.648 339 HD12 ILE 53 HD12 ILE 53 27.269 -4.084 -17.045 340 HD13 ILE 53 HD13 ILE 53 26.724 -4.336 -15.377 341 H ARG 54 H ARG 54 26.060 -7.954 -12.533 342 HA ARG 54 HA ARG 54 23.437 -6.977 -12.954 343 HB2 ARG 54 HB2 ARG 54 24.623 -9.010 -11.113 344 HB3 ARG 54 HB3 ARG 54 23.006 -8.407 -10.784 345 HG2 ARG 54 HG2 ARG 54 22.928 -10.483 -12.053 346 HG3 ARG 54 HG3 ARG 54 22.256 -9.148 -12.976 347 HD2 ARG 54 HD2 ARG 54 24.425 -8.973 -14.189 348 HD3 ARG 54 HD3 ARG 54 24.982 -10.407 -13.321 349 HE ARG 54 HE ARG 54 22.469 -10.667 -14.734 350 HH11 ARG 54 HH11 ARG 54 25.926 -11.486 -14.740 351 HH12 ARG 54 HH12 ARG 54 25.833 -12.472 -16.096 352 HH21 ARG 54 HH21 ARG 54 22.316 -11.958 -16.499 353 HH22 ARG 54 HH22 ARG 54 23.651 -12.816 -17.181 354 H LEU 55 H LEU 55 25.713 -6.639 -10.206 355 HA LEU 55 HA LEU 55 24.073 -4.932 -8.716 356 HB2 LEU 55 HB2 LEU 55 27.091 -5.000 -8.795 357 HB3 LEU 55 HB3 LEU 55 26.236 -3.798 -7.874 358 HG LEU 55 HG LEU 55 26.780 -5.271 -6.288 359 HD11 LEU 55 HD11 LEU 55 24.480 -4.858 -6.105 360 HD12 LEU 55 HD12 LEU 55 24.901 -6.441 -5.470 361 HD13 LEU 55 HD13 LEU 55 24.094 -6.310 -7.036 362 HD21 LEU 55 HD21 LEU 55 26.671 -7.737 -6.431 363 HD22 LEU 55 HD22 LEU 55 27.835 -6.973 -7.480 364 HD23 LEU 55 HD23 LEU 55 26.310 -7.584 -8.161 365 H MET 56 H MET 56 26.503 -3.904 -11.185 366 HA MET 56 HA MET 56 25.862 -1.172 -10.846 367 HB2 MET 56 HB2 MET 56 27.247 -2.623 -13.076 368 HB3 MET 56 HB3 MET 56 26.788 -0.937 -13.245 369 HG2 MET 56 HG2 MET 56 29.121 -1.144 -12.644 370 HG3 MET 56 HG3 MET 56 28.217 -0.331 -11.383 371 HE1 MET 56 HE1 MET 56 28.568 -2.640 -8.352 372 HE2 MET 56 HE2 MET 56 27.179 -2.058 -9.273 373 HE3 MET 56 HE3 MET 56 28.525 -0.970 -8.909 374 H ARG 57 H ARG 57 24.333 -3.617 -12.738 375 HA ARG 57 HA ARG 57 22.587 -1.971 -14.357 376 HB2 ARG 57 HB2 ARG 57 23.036 -4.458 -14.496 377 HB3 ARG 57 HB3 ARG 57 21.860 -4.565 -13.180 378 HG2 ARG 57 HG2 ARG 57 20.424 -3.026 -14.630 379 HG3 ARG 57 HG3 ARG 57 21.488 -3.532 -15.946 380 HD2 ARG 57 HD2 ARG 57 20.174 -5.228 -14.055 381 HD3 ARG 57 HD3 ARG 57 19.438 -4.788 -15.628 382 HE ARG 57 HE ARG 57 21.745 -5.831 -16.420 383 HH11 ARG 57 HH11 ARG 57 19.670 -7.226 -13.874 384 HH12 ARG 57 HH12 ARG 57 20.041 -8.841 -14.291 385 HH21 ARG 57 HH21 ARG 57 22.175 -8.155 -16.985 386 HH22 ARG 57 HH22 ARG 57 21.368 -9.353 -16.077 387 H TRP 58 H TRP 58 22.319 -3.368 -11.197 388 HA TRP 58 HA TRP 58 19.677 -2.401 -10.614 389 HB2 TRP 58 HB2 TRP 58 21.857 -3.193 -8.708 390 HB3 TRP 58 HB3 TRP 58 20.155 -2.917 -8.307 391 HD1 TRP 58 HD1 TRP 58 22.023 -5.736 -8.375 392 HE1 TRP 58 HE1 TRP 58 20.932 -7.790 -9.515 393 HE3 TRP 58 HE3 TRP 58 18.235 -3.393 -11.026 394 HZ2 TRP 58 HZ2 TRP 58 18.800 -8.305 -11.282 395 HZ3 TRP 58 HZ3 TRP 58 16.780 -4.745 -12.371 396 HH2 TRP 58 HH2 TRP 58 17.041 -7.144 -12.500 397 H LEU 59 H LEU 59 22.710 -0.955 -9.921 398 HA LEU 59 HA LEU 59 21.881 1.193 -8.439 399 HB2 LEU 59 HB2 LEU 59 24.069 0.859 -10.390 400 HB3 LEU 59 HB3 LEU 59 23.693 2.483 -9.860 401 HG LEU 59 HG LEU 59 25.504 1.494 -8.591 402 HD11 LEU 59 HD11 LEU 59 24.647 2.077 -6.382 403 HD12 LEU 59 HD12 LEU 59 22.994 1.858 -6.969 404 HD13 LEU 59 HD13 LEU 59 23.985 3.152 -7.629 405 HD21 LEU 59 HD21 LEU 59 23.411 -0.478 -7.741 406 HD22 LEU 59 HD22 LEU 59 25.054 -0.381 -7.068 407 HD23 LEU 59 HD23 LEU 59 24.787 -0.814 -8.770 408 H HIS 60 H HIS 60 21.981 1.083 -11.933 409 HA HIS 60 HA HIS 60 20.907 3.732 -11.953 410 HB2 HIS 60 HB2 HIS 60 21.493 3.828 -14.263 411 HB3 HIS 60 HB3 HIS 60 22.740 3.009 -13.316 412 HD1 HIS 60 HD1 HIS 60 23.519 0.711 -14.152 413 HD2 HIS 60 HD2 HIS 60 19.968 1.959 -15.927 414 HE1 HIS 60 HE1 HIS 60 23.092 -0.857 -16.066 415 H TRP 61 H TRP 61 19.705 0.601 -12.052 416 HA TRP 61 HA TRP 61 17.401 1.051 -13.615 417 HB2 TRP 61 HB2 TRP 61 18.310 -1.196 -13.224 418 HB3 TRP 61 HB3 TRP 61 17.952 -1.036 -11.513 419 HD1 TRP 61 HD1 TRP 61 16.076 -1.218 -14.883 420 HE1 TRP 61 HE1 TRP 61 13.689 -2.049 -14.450 421 HE3 TRP 61 HE3 TRP 61 16.278 -1.432 -9.839 422 HZ2 TRP 61 HZ2 TRP 61 12.074 -2.716 -12.148 423 HZ3 TRP 61 HZ3 TRP 61 14.297 -2.172 -8.587 424 HH2 TRP 61 HH2 TRP 61 12.256 -2.801 -9.739 425 H PHE 62 H PHE 62 17.836 0.871 -10.085 426 HA PHE 62 HA PHE 62 15.214 1.993 -9.776 427 HB2 PHE 62 HB2 PHE 62 16.103 2.153 -7.180 428 HB3 PHE 62 HB3 PHE 62 15.308 0.748 -7.875 429 HD1 PHE 62 HD2 PHE 62 18.601 2.292 -7.178 430 HD2 PHE 62 HD1 PHE 62 16.357 -1.233 -7.898 431 HE1 PHE 62 HE2 PHE 62 20.587 0.896 -6.646 432 HE2 PHE 62 HE1 PHE 62 18.288 -2.608 -7.396 433 HZ PHE 62 HZ PHE 62 20.382 -1.612 -6.842 434 H ARG 63 H ARG 63 18.272 3.249 -10.073 435 HA ARG 63 HA ARG 63 18.315 5.663 -8.766 436 HB2 ARG 63 HB2 ARG 63 20.005 4.604 -10.362 437 HB3 ARG 63 HB3 ARG 63 19.134 5.434 -11.643 438 HG2 ARG 63 HG2 ARG 63 21.061 6.725 -11.009 439 HG3 ARG 63 HG3 ARG 63 19.606 7.581 -10.477 440 HD2 ARG 63 HD2 ARG 63 19.891 6.863 -8.239 441 HD3 ARG 63 HD3 ARG 63 21.128 5.701 -8.707 442 HE ARG 63 HE ARG 63 21.650 8.526 -9.132 443 HH11 ARG 63 HH11 ARG 63 22.167 5.596 -7.260 444 HH12 ARG 63 HH12 ARG 63 23.569 6.096 -6.457 445 HH21 ARG 63 HH21 ARG 63 23.636 9.329 -8.001 446 HH22 ARG 63 HH22 ARG 63 24.417 8.305 -6.889 447 H LYS 64 H LYS 64 16.480 4.808 -11.633 448 HA LYS 64 HA LYS 64 15.752 7.389 -12.419 449 HB2 LYS 64 HB2 LYS 64 13.978 6.314 -13.796 450 HB3 LYS 64 HB3 LYS 64 15.578 5.652 -14.036 451 HG2 LYS 64 HG2 LYS 64 14.081 3.825 -14.059 452 HG3 LYS 64 HG3 LYS 64 14.902 3.778 -12.495 453 HD2 LYS 64 HD2 LYS 64 13.039 4.895 -11.483 454 HD3 LYS 64 HD3 LYS 64 12.190 4.948 -13.014 455 HE2 LYS 64 HE2 LYS 64 11.257 3.089 -11.759 456 HE3 LYS 64 HE3 LYS 64 12.223 2.422 -13.067 457 HZ1 LYS 64 HZ1 LYS 64 12.521 1.280 -10.906 458 HZ2 LYS 64 HZ2 LYS 64 13.093 2.645 -10.218 459 HZ3 LYS 64 HZ3 LYS 64 13.988 1.906 -11.467 460 H ASN 65 H ASN 65 14.687 5.788 -9.668 461 HA ASN 65 HA ASN 65 12.319 7.532 -9.524 462 HB2 ASN 65 HB2 ASN 65 13.074 5.119 -7.863 463 HB3 ASN 65 HB3 ASN 65 11.718 6.167 -7.488 464 HD21 ASN 65 HD21 ASN 65 11.709 3.346 -8.057 465 HD22 ASN 65 HD22 ASN 65 10.665 3.145 -9.407 466 H GLY 66 H GLY 66 15.320 8.030 -9.032 467 HA2 GLY 66 HA2 GLY 66 16.383 9.679 -7.809 468 HA3 GLY 66 HA3 GLY 66 14.878 9.950 -6.947 469 H TYR 67 H TYR 67 16.556 6.859 -7.121 470 HA TYR 67 HA TYR 67 16.695 6.951 -4.255 471 HB2 TYR 67 HB2 TYR 67 17.157 4.683 -6.191 472 HB3 TYR 67 HB3 TYR 67 17.387 4.529 -4.450 473 HD1 TYR 67 HD2 TYR 67 15.221 5.805 -3.208 474 HD2 TYR 67 HD1 TYR 67 15.146 3.667 -6.859 475 HE1 TYR 67 HE2 TYR 67 12.844 5.343 -2.877 476 HE2 TYR 67 HE1 TYR 67 12.763 3.178 -6.529 477 HH TYR 67 HH TYR 67 11.142 3.056 -4.748 478 H ARG 68 H ARG 68 18.352 7.372 -3.096 479 HA ARG 68 HA ARG 68 20.804 8.193 -4.420 480 HB2 ARG 68 HB2 ARG 68 19.929 8.502 -1.562 481 HB3 ARG 68 HB3 ARG 68 21.353 9.224 -2.278 482 HG2 ARG 68 HG2 ARG 68 20.135 11.027 -2.709 483 HG3 ARG 68 HG3 ARG 68 19.237 10.075 -3.879 484 HD2 ARG 68 HD2 ARG 68 18.493 10.133 -0.949 485 HD3 ARG 68 HD3 ARG 68 17.834 11.272 -2.113 486 HE ARG 68 HE ARG 68 16.946 9.312 -3.314 487 HH11 ARG 68 HH11 ARG 68 17.547 8.975 0.212 488 HH12 ARG 68 HH12 ARG 68 16.339 7.802 0.425 489 HH21 ARG 68 HH21 ARG 68 15.318 7.724 -2.965 490 HH22 ARG 68 HH22 ARG 68 15.118 6.990 -1.438 491 H LEU 69 H LEU 69 21.963 6.259 -4.759 492 HA LEU 69 HA LEU 69 23.004 4.862 -2.337 493 HB2 LEU 69 HB2 LEU 69 22.053 3.490 -4.832 494 HB3 LEU 69 HB3 LEU 69 22.804 2.740 -3.449 495 HG LEU 69 HG LEU 69 20.068 4.024 -3.461 496 HD11 LEU 69 HD11 LEU 69 20.126 1.941 -4.714 497 HD12 LEU 69 HD12 LEU 69 19.242 1.744 -3.204 498 HD13 LEU 69 HD13 LEU 69 20.888 1.126 -3.349 499 HD21 LEU 69 HD21 LEU 69 21.214 4.214 -1.302 500 HD22 LEU 69 HD22 LEU 69 21.467 2.459 -1.292 501 HD23 LEU 69 HD23 LEU 69 19.835 3.124 -1.232 502 H THR 70 H THR 70 24.959 4.294 -2.285 503 HA THR 70 HA THR 70 26.461 4.708 -4.720 504 HB THR 70 HB THR 70 28.488 4.744 -3.389 505 HG1 THR 70 HG1 THR 70 26.887 4.030 -1.146 506 HG21 THR 70 HG21 THR 70 27.282 6.863 -3.305 507 HG22 THR 70 HG22 THR 70 28.140 6.586 -1.788 508 HG23 THR 70 HG23 THR 70 26.399 6.320 -1.879 509 H LEU 71 H LEU 71 28.357 2.899 -4.212 510 HA LEU 71 HA LEU 71 26.886 0.611 -5.120 511 HB2 LEU 71 HB2 LEU 71 29.886 0.877 -4.919 512 HB3 LEU 71 HB3 LEU 71 28.971 -0.400 -5.703 513 HG LEU 71 HG LEU 71 29.839 1.022 -7.426 514 HD11 LEU 71 HD11 LEU 71 27.848 1.672 -8.589 515 HD12 LEU 71 HD12 LEU 71 26.959 1.710 -7.067 516 HD13 LEU 71 HD13 LEU 71 27.536 0.175 -7.698 517 HD21 LEU 71 HD21 LEU 71 29.320 3.418 -7.586 518 HD22 LEU 71 HD22 LEU 71 30.226 3.063 -6.102 519 HD23 LEU 71 HD23 LEU 71 28.474 3.306 -6.040 520 H ARG 72 H ARG 72 28.593 1.572 -2.335 521 HA ARG 72 HA ARG 72 29.404 -0.872 -1.114 522 HB2 ARG 72 HB2 ARG 72 30.151 1.358 -0.360 523 HB3 ARG 72 HB3 ARG 72 28.509 1.744 0.123 524 HG2 ARG 72 HG2 ARG 72 28.731 -0.328 1.644 525 HG3 ARG 72 HG3 ARG 72 30.470 -0.108 1.404 526 HD2 ARG 72 HD2 ARG 72 29.711 1.056 3.437 527 HD3 ARG 72 HD3 ARG 72 30.268 2.216 2.224 528 HE ARG 72 HE ARG 72 27.719 2.243 1.632 529 HH11 ARG 72 HH11 ARG 72 28.967 2.309 5.011 530 HH12 ARG 72 HH12 ARG 72 27.486 3.008 5.544 531 HH21 ARG 72 HH21 ARG 72 25.971 3.093 2.416 532 HH22 ARG 72 HH22 ARG 72 25.750 3.413 4.112 533 H GLU 73 H GLU 73 26.459 1.007 -0.855 534 HA GLU 73 HA GLU 73 24.945 -0.187 0.996 535 HB2 GLU 73 HB2 GLU 73 24.293 0.862 -1.726 536 HB3 GLU 73 HB3 GLU 73 23.042 0.314 -0.631 537 HG2 GLU 73 HG2 GLU 73 23.450 2.694 -0.811 538 HG3 GLU 73 HG3 GLU 73 23.500 2.122 0.891 539 H LEU 74 H LEU 74 24.982 -1.084 -2.363 540 HA LEU 74 HA LEU 74 23.245 -3.316 -2.181 541 HB2 LEU 74 HB2 LEU 74 25.282 -2.784 -4.354 542 HB3 LEU 74 HB3 LEU 74 23.954 -3.913 -4.429 543 HG LEU 74 HG LEU 74 23.354 -2.088 -5.757 544 HD11 LEU 74 HD11 LEU 74 21.530 -2.900 -4.458 545 HD12 LEU 74 HD12 LEU 74 21.371 -1.163 -4.716 546 HD13 LEU 74 HD13 LEU 74 21.913 -1.775 -3.154 547 HD21 LEU 74 HD21 LEU 74 23.967 -0.218 -3.479 548 HD22 LEU 74 HD22 LEU 74 23.384 0.235 -5.081 549 HD23 LEU 74 HD23 LEU 74 24.987 -0.472 -4.889 550 H TYR 75 H TYR 75 26.656 -2.989 -1.870 551 HA TYR 75 HA TYR 75 27.221 -5.820 -2.110 552 HB2 TYR 75 HB2 TYR 75 28.784 -3.367 -1.687 553 HB3 TYR 75 HB3 TYR 75 29.610 -4.863 -1.388 554 HD1 TYR 75 HD2 TYR 75 28.855 -6.601 -3.524 555 HD2 TYR 75 HD1 TYR 75 29.319 -2.397 -3.564 556 HE1 TYR 75 HE2 TYR 75 29.281 -6.674 -5.992 557 HE2 TYR 75 HE1 TYR 75 29.750 -2.442 -5.985 558 HH TYR 75 HH TYR 75 29.290 -5.260 -7.875 559 H ALA 76 H ALA 76 26.956 -3.454 0.452 560 HA ALA 76 HA ALA 76 28.212 -5.097 2.332 561 HB1 ALA 76 HB1 ALA 76 27.521 -3.456 4.023 562 HB2 ALA 76 HB2 ALA 76 26.451 -2.701 2.841 563 HB3 ALA 76 HB3 ALA 76 28.197 -2.674 2.593 564 H ALA 77 H ALA 77 24.827 -4.393 1.599 565 HA ALA 77 HA ALA 77 24.155 -6.784 3.117 566 HB1 ALA 77 HB1 ALA 77 22.131 -5.747 4.000 567 HB2 ALA 77 HB2 ALA 77 22.546 -4.230 3.202 568 HB3 ALA 77 HB3 ALA 77 23.561 -4.845 4.507 569 HA PRO 78 HA PRO 78 22.268 -6.953 -1.021 570 HB2 PRO 78 HB2 PRO 78 23.481 -9.535 -1.413 571 HB3 PRO 78 HB3 PRO 78 23.851 -8.023 -2.270 572 HG2 PRO 78 HG2 PRO 78 25.616 -9.241 -0.592 573 HG3 PRO 78 HG3 PRO 78 25.593 -7.494 -0.913 574 HD2 PRO 78 HD2 PRO 78 24.454 -8.987 1.412 575 HD3 PRO 78 HD3 PRO 78 25.378 -7.466 1.382 576 H THR 79 H THR 79 20.415 -7.141 0.205 577 HA THR 79 HA THR 79 19.089 -9.683 0.007 578 HB THR 79 HB THR 79 18.011 -9.144 2.311 579 HG1 THR 79 HG1 THR 79 20.425 -7.710 2.595 580 HG21 THR 79 HG21 THR 79 19.738 -10.305 3.634 581 HG22 THR 79 HG22 THR 79 20.906 -10.035 2.341 582 HG23 THR 79 HG23 THR 79 19.513 -11.079 2.066 583 H LEU 80 H LEU 80 16.796 -9.152 -0.387 584 HA LEU 80 HA LEU 80 16.677 -6.518 -1.486 585 HB2 LEU 80 HB2 LEU 80 14.588 -8.660 -1.405 586 HB3 LEU 80 HB3 LEU 80 14.530 -7.145 -2.306 587 HG LEU 80 HG LEU 80 16.599 -9.229 -2.671 588 HD11 LEU 80 HD11 LEU 80 14.230 -8.484 -4.344 589 HD12 LEU 80 HD12 LEU 80 14.302 -9.952 -3.352 590 HD13 LEU 80 HD13 LEU 80 15.368 -9.767 -4.766 591 HD21 LEU 80 HD21 LEU 80 17.049 -7.992 -4.778 592 HD22 LEU 80 HD22 LEU 80 17.357 -7.030 -3.333 593 HD23 LEU 80 HD23 LEU 80 15.874 -6.785 -4.267 594 H ALA 81 H ALA 81 15.494 -8.192 1.147 595 HA ALA 81 HA ALA 81 13.690 -6.414 2.309 596 HB1 ALA 81 HB1 ALA 81 15.848 -7.950 3.773 597 HB2 ALA 81 HB2 ALA 81 14.257 -8.571 3.336 598 HB3 ALA 81 HB3 ALA 81 14.401 -7.260 4.506 599 H ALA 82 H ALA 82 17.240 -6.295 2.407 600 HA ALA 82 HA ALA 82 17.293 -3.829 3.873 601 HB1 ALA 82 HB1 ALA 82 19.705 -3.861 3.501 602 HB2 ALA 82 HB2 ALA 82 19.519 -5.189 2.356 603 HB3 ALA 82 HB3 ALA 82 19.140 -5.435 4.060 604 H TRP 83 H TRP 83 17.525 -4.791 0.504 605 HA TRP 83 HA TRP 83 18.198 -2.235 -0.466 606 HB2 TRP 83 HB2 TRP 83 16.880 -4.561 -1.911 607 HB3 TRP 83 HB3 TRP 83 17.364 -3.081 -2.718 608 HD1 TRP 83 HD1 TRP 83 19.858 -4.141 -0.118 609 HE1 TRP 83 HE1 TRP 83 21.927 -5.154 -1.202 610 HE3 TRP 83 HE3 TRP 83 18.085 -4.644 -4.889 611 HZ2 TRP 83 HZ2 TRP 83 22.727 -6.080 -3.773 612 HZ3 TRP 83 HZ3 TRP 83 19.572 -5.606 -6.593 613 HH2 TRP 83 HH2 TRP 83 21.838 -6.306 -6.043 614 H ASN 84 H ASN 84 15.194 -3.628 0.423 615 HA ASN 84 HA ASN 84 13.419 -1.640 -0.502 616 HB2 ASN 84 HB2 ASN 84 12.423 -3.614 0.397 617 HB3 ASN 84 HB3 ASN 84 13.377 -3.524 1.866 618 HD21 ASN 84 HD21 ASN 84 12.681 -2.245 3.532 619 HD22 ASN 84 HD22 ASN 84 11.133 -1.503 3.625 620 H GLN 85 H GLN 85 15.499 -1.774 2.372 621 HA GLN 85 HA GLN 85 14.481 0.696 3.404 622 HB2 GLN 85 HB2 GLN 85 15.574 -1.076 4.850 623 HB3 GLN 85 HB3 GLN 85 17.111 -0.630 4.111 624 HG2 GLN 85 HG2 GLN 85 16.754 1.674 4.858 625 HG3 GLN 85 HG3 GLN 85 15.308 1.156 5.720 626 HE21 GLN 85 HE21 GLN 85 18.382 -0.572 5.513 627 HE22 GLN 85 HE22 GLN 85 18.815 -0.366 7.154 628 H LEU 86 H LEU 86 17.169 -0.389 1.443 629 HA LEU 86 HA LEU 86 18.642 1.923 1.244 630 HB2 LEU 86 HB2 LEU 86 18.208 -0.207 -0.819 631 HB3 LEU 86 HB3 LEU 86 19.367 1.083 -1.004 632 HG LEU 86 HG LEU 86 19.393 -1.012 1.135 633 HD11 LEU 86 HD11 LEU 86 20.051 -1.851 -1.086 634 HD12 LEU 86 HD12 LEU 86 21.460 -1.744 -0.028 635 HD13 LEU 86 HD13 LEU 86 21.169 -0.501 -1.247 636 HD21 LEU 86 HD21 LEU 86 21.616 -0.098 1.685 637 HD22 LEU 86 HD22 LEU 86 20.301 1.020 2.009 638 HD23 LEU 86 HD23 LEU 86 21.309 1.239 0.575 639 H MET 87 H MET 87 15.610 1.150 -0.156 640 HA MET 87 HA MET 87 15.749 3.118 -2.151 641 HB2 MET 87 HB2 MET 87 13.447 1.539 -1.086 642 HB3 MET 87 HB3 MET 87 13.211 2.830 -2.259 643 HG2 MET 87 HG2 MET 87 14.893 1.687 -3.710 644 HG3 MET 87 HG3 MET 87 14.834 0.333 -2.584 645 HE1 MET 87 HE1 MET 87 14.305 -1.122 -4.727 646 HE2 MET 87 HE2 MET 87 14.277 0.323 -5.746 647 HE3 MET 87 HE3 MET 87 12.937 -0.838 -5.798 648 H LEU 88 H LEU 88 13.799 3.093 0.826 649 HA LEU 88 HA LEU 88 13.318 5.881 0.355 650 HB2 LEU 88 HB2 LEU 88 12.054 5.780 2.525 651 HB3 LEU 88 HB3 LEU 88 11.422 4.996 1.101 652 HG LEU 88 HG LEU 88 12.990 3.340 3.012 653 HD11 LEU 88 HD11 LEU 88 11.601 4.743 4.302 654 HD12 LEU 88 HD12 LEU 88 10.888 3.094 4.296 655 HD13 LEU 88 HD13 LEU 88 10.230 4.408 3.262 656 HD21 LEU 88 HD21 LEU 88 11.441 1.652 2.214 657 HD22 LEU 88 HD22 LEU 88 12.049 2.549 0.803 658 HD23 LEU 88 HD23 LEU 88 10.454 2.886 1.430 659 H SER 89 H SER 89 14.777 4.098 3.064 660 HA SER 89 HA SER 89 15.654 6.462 4.422 661 HB2 SER 89 HB2 SER 89 16.519 3.626 4.828 662 HB3 SER 89 HB3 SER 89 16.418 4.930 6.014 663 HG SER 89 HG SER 89 14.555 4.019 6.412 664 H ARG 90 H ARG 90 16.781 4.517 1.883 665 HA ARG 90 HA ARG 90 18.633 3.917 0.835 666 HB2 ARG 90 HB2 ARG 90 19.946 5.666 0.084 667 HB3 ARG 90 HB3 ARG 90 18.582 6.565 0.712 668 HG2 ARG 90 HG2 ARG 90 20.068 7.741 1.729 669 HG3 ARG 90 HG3 ARG 90 20.117 6.390 2.860 670 HD2 ARG 90 HD2 ARG 90 21.814 5.290 1.374 671 HD3 ARG 90 HD3 ARG 90 22.027 6.824 0.542 672 HE ARG 90 HE ARG 90 22.850 7.756 2.647 673 HH11 ARG 90 HH11 ARG 90 22.798 4.200 2.368 674 HH12 ARG 90 HH12 ARG 90 23.836 3.991 3.724 675 HH21 ARG 90 HH21 ARG 90 24.433 7.305 4.488 676 HH22 ARG 90 HH22 ARG 90 24.729 5.650 4.826 677 H SER 91 H SER 91 18.252 3.472 3.718 678 HA SER 91 HA SER 91 19.153 2.642 5.529 679 HB2 SER 91 HB2 SER 91 21.405 1.981 3.652 680 HB3 SER 91 HB3 SER 91 21.544 1.666 5.381 681 HG SER 91 HG SER 91 20.311 0.146 5.247 682 HA PRO 92 HA PRO 92 21.160 6.204 7.415 683 HB2 PRO 92 HB2 PRO 92 21.130 4.133 9.578 684 HB3 PRO 92 HB3 PRO 92 20.689 5.851 9.677 685 HG2 PRO 92 HG2 PRO 92 18.807 3.997 9.630 686 HG3 PRO 92 HG3 PRO 92 18.606 5.540 8.777 687 HD2 PRO 92 HD2 PRO 92 19.079 2.843 7.643 688 HD3 PRO 92 HD3 PRO 92 18.271 4.267 6.938 689 H GLU 93 H GLU 93 22.058 2.852 7.539 690 HA GLU 93 HA GLU 93 24.672 2.772 8.364 691 HB2 GLU 93 HB2 GLU 93 23.584 1.136 6.051 692 HB3 GLU 93 HB3 GLU 93 24.971 0.739 7.038 693 HG2 GLU 93 HG2 GLU 93 23.296 -0.684 7.824 694 HG3 GLU 93 HG3 GLU 93 23.304 0.625 9.000 Start of MODEL 15 1 H ASP 14 HT1 ASP 14 10.189 7.966 3.555 2 HA ASP 14 HA ASP 14 8.619 6.553 2.310 3 HB2 ASP 14 HB2 ASP 14 7.963 8.902 3.060 4 HB3 ASP 14 HB3 ASP 14 8.379 9.452 1.439 5 H ASN 15 H ASN 15 7.904 5.879 0.249 6 HA ASN 15 HA ASN 15 9.065 6.990 -2.089 7 HB2 ASN 15 HB2 ASN 15 10.988 5.684 -1.328 8 HB3 ASN 15 HB3 ASN 15 9.947 4.262 -1.206 9 HD21 ASN 15 HD21 ASN 15 11.233 3.150 -2.633 10 HD22 ASN 15 HD22 ASN 15 11.230 3.489 -4.325 11 H ARG 16 H ARG 16 7.367 7.013 -3.223 12 HA ARG 16 HA ARG 16 5.369 4.920 -3.071 13 HB2 ARG 16 HB2 ARG 16 5.361 7.461 -4.710 14 HB3 ARG 16 HB3 ARG 16 3.976 6.420 -4.387 15 HG2 ARG 16 HG2 ARG 16 5.539 7.916 -2.284 16 HG3 ARG 16 HG3 ARG 16 3.993 8.439 -2.957 17 HD2 ARG 16 HD2 ARG 16 2.840 6.645 -1.963 18 HD3 ARG 16 HD3 ARG 16 4.314 5.739 -1.656 19 HE ARG 16 HE ARG 16 4.847 7.671 -0.094 20 HH11 ARG 16 HH11 ARG 16 1.525 6.599 -0.666 21 HH12 ARG 16 HH12 ARG 16 1.015 6.836 0.950 22 HH21 ARG 16 HH21 ARG 16 4.217 7.914 2.061 23 HH22 ARG 16 HH22 ARG 16 2.623 7.649 2.600 24 H HIS 17 H HIS 17 8.182 5.292 -4.815 25 HA HIS 17 HA HIS 17 7.221 4.290 -7.314 26 HB2 HIS 17 HB2 HIS 17 9.125 6.071 -6.891 27 HB3 HIS 17 HB3 HIS 17 10.113 4.650 -6.594 28 HD1 HIS 17 HD1 HIS 17 9.509 6.889 -9.170 29 HD2 HIS 17 HD2 HIS 17 9.643 2.754 -9.018 30 HE1 HIS 17 HE1 HIS 17 9.879 6.124 -11.547 31 H ALA 18 H ALA 18 8.173 3.257 -4.322 32 HA ALA 18 HA ALA 18 9.892 1.148 -4.375 33 HB1 ALA 18 HB1 ALA 18 7.389 1.261 -2.719 34 HB2 ALA 18 HB2 ALA 18 8.893 2.110 -2.363 35 HB3 ALA 18 HB3 ALA 18 8.854 0.346 -2.364 36 H ALA 19 H ALA 19 6.810 1.093 -5.840 37 HA ALA 19 HA ALA 19 6.296 -1.659 -5.936 38 HB1 ALA 19 HB1 ALA 19 5.754 0.446 -8.040 39 HB2 ALA 19 HB2 ALA 19 4.687 0.035 -6.698 40 HB3 ALA 19 HB3 ALA 19 5.007 -1.150 -7.964 41 H ASP 20 H ASP 20 8.795 0.296 -7.415 42 HA ASP 20 HA ASP 20 9.415 -1.529 -9.501 43 HB2 ASP 20 HB2 ASP 20 11.672 -0.434 -9.651 44 HB3 ASP 20 HB3 ASP 20 10.337 0.702 -9.773 45 H TYR 21 H TYR 21 10.400 -1.378 -6.216 46 HA TYR 21 HA TYR 21 12.305 -3.531 -6.010 47 HB2 TYR 21 HB2 TYR 21 11.783 -2.011 -4.164 48 HB3 TYR 21 HB3 TYR 21 10.123 -2.584 -4.137 49 HD1 TYR 21 HD1 TYR 21 13.627 -3.642 -3.633 50 HD2 TYR 21 HD2 TYR 21 9.529 -4.419 -2.847 51 HE1 TYR 21 HE1 TYR 21 14.268 -5.354 -2.033 52 HE2 TYR 21 HE2 TYR 21 10.150 -6.145 -1.236 53 HH TYR 21 HH TYR 21 13.292 -6.428 -0.072 54 H GLN 22 H GLN 22 8.866 -3.614 -6.508 55 HA GLN 22 HA GLN 22 8.556 -6.349 -5.809 56 HB2 GLN 22 HB2 GLN 22 6.649 -4.784 -5.878 57 HB3 GLN 22 HB3 GLN 22 6.843 -4.631 -7.616 58 HG2 GLN 22 HG2 GLN 22 6.312 -7.011 -7.874 59 HG3 GLN 22 HG3 GLN 22 6.093 -7.139 -6.129 60 HE21 GLN 22 HE21 GLN 22 4.288 -6.171 -5.179 61 HE22 GLN 22 HE22 GLN 22 2.932 -5.677 -6.141 62 H GLN 23 H GLN 23 8.947 -4.681 -8.960 63 HA GLN 23 HA GLN 23 9.152 -7.251 -10.199 64 HB2 GLN 23 HB2 GLN 23 8.076 -5.359 -11.444 65 HB3 GLN 23 HB3 GLN 23 9.665 -4.602 -11.575 66 HG2 GLN 23 HG2 GLN 23 10.522 -6.428 -12.855 67 HG3 GLN 23 HG3 GLN 23 9.076 -7.375 -12.567 68 HE21 GLN 23 HE21 GLN 23 8.750 -7.730 -14.636 69 HE22 GLN 23 HE22 GLN 23 8.185 -6.528 -15.762 70 H LEU 24 H LEU 24 11.334 -5.022 -8.839 71 HA LEU 24 HA LEU 24 13.792 -5.757 -9.926 72 HB2 LEU 24 HB2 LEU 24 13.207 -4.153 -7.927 73 HB3 LEU 24 HB3 LEU 24 13.298 -5.572 -6.929 74 HG LEU 24 HG LEU 24 15.607 -4.416 -8.514 75 HD11 LEU 24 HD11 LEU 24 14.919 -2.948 -6.728 76 HD12 LEU 24 HD12 LEU 24 16.450 -3.726 -6.323 77 HD13 LEU 24 HD13 LEU 24 14.953 -4.289 -5.584 78 HD21 LEU 24 HD21 LEU 24 17.010 -5.907 -7.153 79 HD22 LEU 24 HD22 LEU 24 15.887 -6.820 -8.146 80 HD23 LEU 24 HD23 LEU 24 15.563 -6.606 -6.426 81 H ARG 25 H ARG 25 11.956 -7.299 -7.334 82 HA ARG 25 HA ARG 25 13.462 -9.600 -6.889 83 HB2 ARG 25 HB2 ARG 25 10.487 -9.160 -6.716 84 HB3 ARG 25 HB3 ARG 25 11.273 -10.634 -6.176 85 HG2 ARG 25 HG2 ARG 25 12.545 -9.415 -4.581 86 HG3 ARG 25 HG3 ARG 25 11.833 -7.876 -5.106 87 HD2 ARG 25 HD2 ARG 25 9.714 -8.537 -4.300 88 HD3 ARG 25 HD3 ARG 25 10.256 -10.215 -4.043 89 HE ARG 25 HE ARG 25 11.198 -7.882 -2.518 90 HH11 ARG 25 HH11 ARG 25 10.185 -11.328 -2.585 91 HH12 ARG 25 HH12 ARG 25 10.574 -11.548 -0.940 92 HH21 ARG 25 HH21 ARG 25 11.633 -8.282 -0.270 93 HH22 ARG 25 HH22 ARG 25 11.353 -9.848 0.374 94 H GLU 26 H GLU 26 10.862 -9.057 -9.197 95 HA GLU 26 HA GLU 26 10.587 -11.645 -10.150 96 HB2 GLU 26 HB2 GLU 26 8.985 -9.725 -10.166 97 HB3 GLU 26 HB3 GLU 26 9.949 -9.010 -11.438 98 HG2 GLU 26 HG2 GLU 26 8.895 -11.732 -11.779 99 HG3 GLU 26 HG3 GLU 26 7.789 -10.371 -11.895 100 H ARG 27 H ARG 27 12.422 -8.795 -11.435 101 HA ARG 27 HA ARG 27 13.130 -10.191 -13.665 102 HB2 ARG 27 HB2 ARG 27 13.104 -7.803 -13.798 103 HB3 ARG 27 HB3 ARG 27 14.438 -7.687 -12.634 104 HG2 ARG 27 HG2 ARG 27 15.942 -8.618 -14.031 105 HG3 ARG 27 HG3 ARG 27 14.697 -9.409 -14.974 106 HD2 ARG 27 HD2 ARG 27 14.089 -7.194 -15.890 107 HD3 ARG 27 HD3 ARG 27 15.523 -6.520 -15.077 108 HE ARG 27 HE ARG 27 16.834 -8.219 -16.280 109 HH11 ARG 27 HH11 ARG 27 13.819 -7.105 -17.727 110 HH12 ARG 27 HH12 ARG 27 14.120 -7.776 -19.265 111 HH21 ARG 27 HH21 ARG 27 17.248 -9.186 -18.255 112 HH22 ARG 27 HH22 ARG 27 16.207 -9.034 -19.610 113 H LEU 28 H LEU 28 14.863 -10.026 -10.563 114 HA LEU 28 HA LEU 28 17.271 -11.091 -11.538 115 HB2 LEU 28 HB2 LEU 28 15.957 -11.363 -8.843 116 HB3 LEU 28 HB3 LEU 28 17.413 -12.255 -9.214 117 HG LEU 28 HG LEU 28 18.534 -10.032 -9.665 118 HD11 LEU 28 HD11 LEU 28 16.096 -8.915 -8.418 119 HD12 LEU 28 HD12 LEU 28 16.575 -8.793 -10.104 120 HD13 LEU 28 HD13 LEU 28 17.574 -8.041 -8.861 121 HD21 LEU 28 HD21 LEU 28 18.838 -9.490 -7.318 122 HD22 LEU 28 HD22 LEU 28 18.877 -11.236 -7.580 123 HD23 LEU 28 HD23 LEU 28 17.435 -10.476 -6.902 124 H ILE 29 H ILE 29 14.299 -12.575 -10.617 125 HA ILE 29 HA ILE 29 15.170 -15.191 -10.708 126 HB ILE 29 HB ILE 29 12.582 -13.808 -10.547 127 HG12 ILE 29 HG12 ILE 29 12.221 -15.313 -8.686 128 HG13 ILE 29 HG11 ILE 29 13.653 -16.229 -9.137 129 HG21 ILE 29 HG21 ILE 29 11.921 -15.246 -12.324 130 HG22 ILE 29 HG22 ILE 29 11.193 -15.775 -10.793 131 HG23 ILE 29 HG23 ILE 29 12.568 -16.653 -11.465 132 HD11 ILE 29 HD11 ILE 29 14.052 -14.688 -7.280 133 HD12 ILE 29 HD12 ILE 29 13.637 -13.344 -8.378 134 HD13 ILE 29 HD13 ILE 29 15.034 -14.386 -8.722 135 H GLN 30 H GLN 30 14.023 -13.115 -13.254 136 HA GLN 30 HA GLN 30 13.541 -15.045 -15.271 137 HB2 GLN 30 HB2 GLN 30 14.764 -12.365 -15.838 138 HB3 GLN 30 HB3 GLN 30 13.641 -13.289 -16.819 139 HG2 GLN 30 HG2 GLN 30 11.868 -12.825 -15.222 140 HG3 GLN 30 HG3 GLN 30 13.015 -11.930 -14.231 141 HE21 GLN 30 HE21 GLN 30 10.641 -10.914 -15.357 142 HE22 GLN 30 HE22 GLN 30 11.016 -9.645 -16.449 143 H GLU 31 H GLU 31 16.391 -13.206 -14.329 144 HA GLU 31 HA GLU 31 17.976 -14.409 -16.418 145 HB2 GLU 31 HB2 GLU 31 18.965 -12.543 -14.255 146 HB3 GLU 31 HB3 GLU 31 19.713 -12.882 -15.811 147 HG2 GLU 31 HG2 GLU 31 17.573 -11.906 -16.842 148 HG3 GLU 31 HG3 GLU 31 17.251 -11.336 -15.203 149 H LEU 32 H LEU 32 17.307 -14.995 -13.086 150 HA LEU 32 HA LEU 32 19.673 -16.535 -12.765 151 HB2 LEU 32 HB2 LEU 32 17.390 -16.012 -10.844 152 HB3 LEU 32 HB3 LEU 32 18.832 -16.951 -10.483 153 HG LEU 32 HG LEU 32 18.529 -14.095 -11.090 154 HD11 LEU 32 HD11 LEU 32 18.093 -14.624 -8.819 155 HD12 LEU 32 HD12 LEU 32 19.664 -13.785 -8.864 156 HD13 LEU 32 HD13 LEU 32 19.604 -15.524 -8.647 157 HD21 LEU 32 HD21 LEU 32 21.098 -15.650 -11.036 158 HD22 LEU 32 HD22 LEU 32 21.026 -13.912 -10.782 159 HD23 LEU 32 HD23 LEU 32 20.456 -14.590 -12.310 160 H ASN 33 H ASN 33 16.505 -16.984 -13.790 161 HA ASN 33 HA ASN 33 15.374 -18.657 -14.712 162 HB2 ASN 33 HB2 ASN 33 17.596 -19.131 -15.796 163 HB3 ASN 33 HB3 ASN 33 17.928 -20.293 -14.526 164 HD21 ASN 33 HD21 ASN 33 14.778 -19.863 -16.072 165 HD22 ASN 33 HD22 ASN 33 14.781 -21.416 -16.842 166 H LEU 34 H LEU 34 15.646 -18.479 -11.718 167 HA LEU 34 HA LEU 34 14.654 -21.174 -11.136 168 HB2 LEU 34 HB2 LEU 34 15.574 -21.186 -9.013 169 HB3 LEU 34 HB3 LEU 34 16.835 -20.466 -9.972 170 HG LEU 34 HG LEU 34 15.004 -19.080 -8.012 171 HD11 LEU 34 HD11 LEU 34 16.783 -20.423 -7.094 172 HD12 LEU 34 HD12 LEU 34 17.033 -18.721 -6.739 173 HD13 LEU 34 HD13 LEU 34 17.971 -19.518 -8.022 174 HD21 LEU 34 HD21 LEU 34 15.436 -17.618 -9.908 175 HD22 LEU 34 HD22 LEU 34 17.167 -17.897 -9.731 176 HD23 LEU 34 HD23 LEU 34 16.276 -17.037 -8.463 177 H THR 35 H THR 35 13.171 -20.872 -8.903 178 HA THR 35 HA THR 35 11.327 -18.819 -9.733 179 HB THR 35 HB THR 35 9.866 -20.038 -7.936 180 HG1 THR 35 HG1 THR 35 10.886 -22.409 -8.307 181 HG21 THR 35 HG21 THR 35 9.436 -20.173 -10.347 182 HG22 THR 35 HG22 THR 35 9.166 -21.736 -9.576 183 HG23 THR 35 HG23 THR 35 10.643 -21.451 -10.495 184 HA PRO 36 HA PRO 36 12.448 -16.027 -6.561 185 HB2 PRO 36 HB2 PRO 36 9.656 -15.884 -5.554 186 HB3 PRO 36 HB3 PRO 36 10.684 -14.585 -6.193 187 HG2 PRO 36 HG2 PRO 36 8.659 -15.551 -7.607 188 HG3 PRO 36 HG3 PRO 36 10.168 -15.029 -8.374 189 HD2 PRO 36 HD2 PRO 36 9.173 -17.784 -7.868 190 HD3 PRO 36 HD3 PRO 36 10.136 -17.154 -9.219 191 H GLN 37 H GLN 37 10.577 -18.766 -5.657 192 HA GLN 37 HA GLN 37 10.971 -18.504 -2.820 193 HB2 GLN 37 HB2 GLN 37 9.878 -20.804 -4.456 194 HB3 GLN 37 HB3 GLN 37 9.924 -20.763 -2.706 195 HG2 GLN 37 HG2 GLN 37 7.699 -20.261 -3.400 196 HG3 GLN 37 HG3 GLN 37 8.410 -18.779 -2.778 197 HE21 GLN 37 HE21 GLN 37 6.956 -17.503 -3.885 198 HE22 GLN 37 HE22 GLN 37 6.998 -17.301 -5.602 199 H GLN 38 H GLN 38 12.949 -19.513 -5.362 200 HA GLN 38 HA GLN 38 14.306 -21.488 -3.707 201 HB2 GLN 38 HB2 GLN 38 14.613 -20.820 -6.632 202 HB3 GLN 38 HB3 GLN 38 15.578 -22.019 -5.781 203 HG2 GLN 38 HG2 GLN 38 12.588 -22.098 -6.104 204 HG3 GLN 38 HG3 GLN 38 13.742 -22.999 -7.081 205 HE21 GLN 38 HE21 GLN 38 11.581 -23.899 -5.312 206 HE22 GLN 38 HE22 GLN 38 12.353 -24.960 -4.175 207 H LEU 39 H LEU 39 14.438 -18.254 -3.905 208 HA LEU 39 HA LEU 39 17.273 -18.435 -3.430 209 HB2 LEU 39 HB2 LEU 39 17.845 -16.368 -4.460 210 HB3 LEU 39 HB3 LEU 39 16.742 -17.135 -5.561 211 HG LEU 39 HG LEU 39 14.951 -15.526 -4.809 212 HD11 LEU 39 HD11 LEU 39 15.964 -14.882 -2.611 213 HD12 LEU 39 HD12 LEU 39 15.664 -13.473 -3.625 214 HD13 LEU 39 HD13 LEU 39 17.290 -14.131 -3.460 215 HD21 LEU 39 HD21 LEU 39 16.259 -15.224 -6.841 216 HD22 LEU 39 HD22 LEU 39 17.495 -14.370 -5.913 217 HD23 LEU 39 HD23 LEU 39 15.886 -13.677 -6.081 218 H HIS 40 H HIS 40 18.039 -16.783 -1.853 219 HA HIS 40 HA HIS 40 16.037 -16.521 0.248 220 HB2 HIS 40 HB2 HIS 40 19.026 -16.218 0.282 221 HB3 HIS 40 HB3 HIS 40 17.934 -15.951 1.617 222 HD1 HIS 40 HD1 HIS 40 17.248 -17.871 2.991 223 HD2 HIS 40 HD2 HIS 40 19.063 -19.062 -0.539 224 HE1 HIS 40 HE1 HIS 40 17.585 -20.394 3.178 225 H GLU 41 H GLU 41 15.087 -14.610 0.516 226 HA GLU 41 HA GLU 41 16.275 -12.259 -0.688 227 HB2 GLU 41 HB2 GLU 41 14.209 -11.091 0.007 228 HB3 GLU 41 HB3 GLU 41 13.896 -12.505 -0.982 229 HG2 GLU 41 HG2 GLU 41 13.173 -13.758 0.926 230 HG3 GLU 41 HG3 GLU 41 13.686 -12.473 2.021 231 H GLU 42 H GLU 42 15.872 -13.696 2.407 232 HA GLU 42 HA GLU 42 16.694 -11.337 3.865 233 HB2 GLU 42 HB2 GLU 42 16.112 -12.556 5.829 234 HB3 GLU 42 HB3 GLU 42 14.868 -12.890 4.647 235 HG2 GLU 42 HG2 GLU 42 17.055 -14.723 5.617 236 HG3 GLU 42 HG3 GLU 42 15.322 -14.912 5.833 237 H SER 43 H SER 43 18.002 -14.198 2.564 238 HA SER 43 HA SER 43 20.453 -13.891 4.060 239 HB2 SER 43 HB2 SER 43 19.681 -16.024 2.099 240 HB3 SER 43 HB3 SER 43 21.170 -15.994 3.014 241 HG SER 43 HG SER 43 18.523 -16.315 4.023 242 H ASN 44 H ASN 44 22.411 -14.412 2.644 243 HA ASN 44 HA ASN 44 22.748 -11.998 1.318 244 HB2 ASN 44 HB2 ASN 44 24.490 -13.215 2.675 245 HB3 ASN 44 HB3 ASN 44 24.652 -14.319 1.311 246 HD21 ASN 44 HD21 ASN 44 25.370 -11.190 2.537 247 HD22 ASN 44 HD22 ASN 44 26.442 -10.746 1.256 248 H LEU 45 H LEU 45 22.541 -11.399 -0.667 249 HA LEU 45 HA LEU 45 21.664 -13.217 -2.662 250 HB2 LEU 45 HB2 LEU 45 22.287 -10.282 -2.844 251 HB3 LEU 45 HB3 LEU 45 21.586 -11.223 -4.140 252 HG LEU 45 HG LEU 45 20.305 -10.707 -1.460 253 HD11 LEU 45 HD11 LEU 45 19.686 -9.604 -4.197 254 HD12 LEU 45 HD12 LEU 45 20.428 -8.713 -2.866 255 HD13 LEU 45 HD13 LEU 45 18.770 -9.293 -2.722 256 HD21 LEU 45 HD21 LEU 45 19.249 -12.091 -3.928 257 HD22 LEU 45 HD22 LEU 45 18.300 -11.680 -2.503 258 HD23 LEU 45 HD23 LEU 45 19.606 -12.855 -2.377 259 H ILE 46 H ILE 46 24.796 -12.209 -1.752 260 HA ILE 46 HA ILE 46 25.945 -12.465 -4.407 261 HB ILE 46 HB ILE 46 27.412 -12.381 -1.717 262 HG12 ILE 46 HG12 ILE 46 25.967 -10.385 -1.990 263 HG13 ILE 46 HG11 ILE 46 27.679 -9.988 -1.963 264 HG21 ILE 46 HG21 ILE 46 28.849 -13.115 -3.546 265 HG22 ILE 46 HG22 ILE 46 29.288 -11.471 -3.029 266 HG23 ILE 46 HG23 ILE 46 28.356 -11.708 -4.499 267 HD11 ILE 46 HD11 ILE 46 27.654 -9.707 -4.380 268 HD12 ILE 46 HD12 ILE 46 26.432 -8.683 -3.614 269 HD13 ILE 46 HD13 ILE 46 25.959 -10.182 -4.420 270 H GLN 47 H GLN 47 24.843 -14.419 -1.945 271 HA GLN 47 HA GLN 47 26.473 -16.709 -2.582 272 HB2 GLN 47 HB2 GLN 47 24.174 -16.315 -0.694 273 HB3 GLN 47 HB3 GLN 47 24.994 -17.861 -0.894 274 HG2 GLN 47 HG2 GLN 47 27.081 -16.870 -0.134 275 HG3 GLN 47 HG3 GLN 47 26.299 -15.299 0.008 276 HE21 GLN 47 HE21 GLN 47 27.658 -16.931 1.997 277 HE22 GLN 47 HE22 GLN 47 26.500 -17.189 3.262 278 H ALA 48 H ALA 48 23.938 -15.121 -3.813 279 HA ALA 48 HA ALA 48 22.649 -17.424 -5.137 280 HB1 ALA 48 HB1 ALA 48 20.781 -15.876 -5.531 281 HB2 ALA 48 HB2 ALA 48 21.642 -14.603 -4.669 282 HB3 ALA 48 HB3 ALA 48 21.089 -16.035 -3.801 283 H GLY 49 H GLY 49 21.768 -16.417 -7.341 284 HA2 GLY 49 HA2 GLY 49 24.138 -15.873 -8.833 285 HA3 GLY 49 HA3 GLY 49 22.499 -15.934 -9.470 286 H LEU 50 H LEU 50 24.919 -13.877 -8.000 287 HA LEU 50 HA LEU 50 23.721 -11.651 -9.342 288 HB2 LEU 50 HB2 LEU 50 22.564 -11.550 -7.338 289 HB3 LEU 50 HB3 LEU 50 23.973 -11.901 -6.358 290 HG LEU 50 HG LEU 50 24.942 -9.729 -7.201 291 HD11 LEU 50 HD11 LEU 50 22.086 -9.204 -7.998 292 HD12 LEU 50 HD12 LEU 50 23.488 -9.325 -9.068 293 HD13 LEU 50 HD13 LEU 50 23.371 -7.995 -7.916 294 HD21 LEU 50 HD21 LEU 50 23.845 -8.382 -5.529 295 HD22 LEU 50 HD22 LEU 50 24.085 -10.022 -4.935 296 HD23 LEU 50 HD23 LEU 50 22.486 -9.506 -5.482 297 H ASP 51 H ASP 51 25.316 -11.114 -10.486 298 HA ASP 51 HA ASP 51 28.027 -11.076 -9.449 299 HB2 ASP 51 HB2 ASP 51 28.573 -10.532 -11.821 300 HB3 ASP 51 HB3 ASP 51 27.870 -12.132 -11.575 301 H 4HJ 52 H 4HJ 52 28.993 -8.901 -11.121 302 HA 4HJ 52 HA 4HJ 52 27.758 -6.986 -9.444 303 HAA 4HJ 52 HAA 4HJ 52 28.059 -10.708 -6.856 304 HB3 4HJ 52 HB3 4HJ 52 29.864 -5.547 -9.814 305 HB2 4HJ 52 HB2 4HJ 52 30.076 -7.096 -8.997 306 HZ1 4HJ 52 HZ1 4HJ 52 29.511 -12.145 -8.079 307 HZ2 4HJ 52 HZ2 4HJ 52 28.683 -8.419 -6.358 308 HZ 4HJ 52 HZ 4HJ 52 32.769 -11.053 -9.133 309 HJ2 4HJ 52 HJ2 4HJ 52 31.734 -3.350 -12.657 310 HJ3 4HJ 52 HJ3 4HJ 52 33.199 -4.199 -12.201 311 HL12 4HJ 52 HL12 4HJ 52 32.222 -3.621 -9.094 312 HL11 4HJ 52 HL11 4HJ 52 33.452 -2.426 -8.818 313 HL13 4HJ 52 HL13 4HJ 52 33.823 -3.992 -9.644 314 HL22 4HJ 52 HL22 4HJ 52 30.817 -2.331 -10.156 315 HL21 4HJ 52 HL21 4HJ 52 31.077 -1.439 -11.625 316 HL23 4HJ 52 HL23 4HJ 52 31.728 -0.850 -10.043 317 HM 4HJ 52 HM 4HJ 52 34.590 -0.581 -10.289 318 HN 4HJ 52 HN 4HJ 52 36.416 -2.785 -12.824 319 HL3 4HJ 52 HL3 4HJ 52 33.691 -1.951 -12.600 320 HO2 4HJ 52 HO2 4HJ 52 35.537 -4.867 -11.033 321 HO3 4HJ 52 HO3 4HJ 52 34.821 -4.988 -12.661 322 HP2 4HJ 52 HP2 4HJ 52 37.046 -5.534 -13.486 323 HP3 4HJ 52 HP3 4HJ 52 37.722 -4.893 -11.984 324 HS2 4HJ 52 HS2 4HJ 52 34.344 -6.649 -10.800 325 HS3 4HJ 52 HS3 4HJ 52 34.843 -8.274 -10.264 326 HT3 4HJ 52 HT3 4HJ 52 35.281 -7.328 -8.018 327 HT2 4HJ 52 HT2 4HJ 52 34.799 -5.724 -8.612 328 HY2 4HJ 52 HY2 4HJ 52 30.924 -7.513 -7.086 329 HR 4HJ 52 HR 4HJ 52 37.016 -6.688 -9.745 330 H ILE 53 H ILE 53 27.825 -7.943 -12.576 331 HA ILE 53 HA ILE 53 27.427 -5.352 -13.649 332 HB ILE 53 HB ILE 53 28.328 -7.565 -14.736 333 HG12 ILE 53 HG12 ILE 53 28.490 -5.445 -15.751 334 HG13 ILE 53 HG11 ILE 53 27.963 -6.632 -16.944 335 HG21 ILE 53 HG21 ILE 53 26.700 -8.564 -16.359 336 HG22 ILE 53 HG22 ILE 53 25.415 -7.629 -15.592 337 HG23 ILE 53 HG23 ILE 53 26.262 -8.876 -14.678 338 HD11 ILE 53 HD11 ILE 53 26.750 -4.514 -17.247 339 HD12 ILE 53 HD12 ILE 53 26.247 -4.586 -15.550 340 HD13 ILE 53 HD13 ILE 53 25.645 -5.787 -16.678 341 H ARG 54 H ARG 54 25.542 -8.044 -12.540 342 HA ARG 54 HA ARG 54 23.022 -6.845 -13.039 343 HB2 ARG 54 HB2 ARG 54 23.953 -8.961 -11.170 344 HB3 ARG 54 HB3 ARG 54 22.448 -8.148 -10.770 345 HG2 ARG 54 HG2 ARG 54 21.956 -10.151 -11.974 346 HG3 ARG 54 HG3 ARG 54 21.578 -8.771 -12.998 347 HD2 ARG 54 HD2 ARG 54 23.764 -9.080 -14.124 348 HD3 ARG 54 HD3 ARG 54 24.002 -10.516 -13.109 349 HE ARG 54 HE ARG 54 21.582 -10.406 -14.752 350 HH11 ARG 54 HH11 ARG 54 24.800 -11.866 -14.220 351 HH12 ARG 54 HH12 ARG 54 24.554 -13.099 -15.333 352 HH21 ARG 54 HH21 ARG 54 21.248 -12.025 -16.210 353 HH22 ARG 54 HH22 ARG 54 22.417 -13.241 -16.529 354 H LEU 55 H LEU 55 25.228 -6.714 -10.280 355 HA LEU 55 HA LEU 55 23.778 -5.109 -8.578 356 HB2 LEU 55 HB2 LEU 55 26.728 -5.255 -9.062 357 HB3 LEU 55 HB3 LEU 55 26.035 -4.213 -7.847 358 HG LEU 55 HG LEU 55 25.627 -7.199 -7.859 359 HD11 LEU 55 HD11 LEU 55 28.025 -6.764 -7.574 360 HD12 LEU 55 HD12 LEU 55 27.298 -7.147 -6.024 361 HD13 LEU 55 HD13 LEU 55 27.658 -5.485 -6.436 362 HD21 LEU 55 HD21 LEU 55 23.945 -5.965 -6.612 363 HD22 LEU 55 HD22 LEU 55 25.211 -5.040 -5.808 364 HD23 LEU 55 HD23 LEU 55 25.064 -6.763 -5.497 365 H MET 56 H MET 56 26.115 -3.975 -11.054 366 HA MET 56 HA MET 56 25.514 -1.292 -10.260 367 HB2 MET 56 HB2 MET 56 27.086 -2.125 -12.697 368 HB3 MET 56 HB3 MET 56 27.144 -0.566 -11.871 369 HG2 MET 56 HG2 MET 56 28.192 -3.216 -10.919 370 HG3 MET 56 HG3 MET 56 29.039 -1.677 -11.122 371 HE1 MET 56 HE1 MET 56 29.993 -2.501 -8.470 372 HE2 MET 56 HE2 MET 56 28.821 -3.813 -8.581 373 HE3 MET 56 HE3 MET 56 28.806 -2.742 -7.188 374 H ARG 57 H ARG 57 24.268 -3.409 -12.509 375 HA ARG 57 HA ARG 57 22.898 -1.639 -14.245 376 HB2 ARG 57 HB2 ARG 57 23.379 -3.956 -14.644 377 HB3 ARG 57 HB3 ARG 57 22.321 -4.396 -13.324 378 HG2 ARG 57 HG2 ARG 57 20.423 -3.854 -14.511 379 HG3 ARG 57 HG3 ARG 57 21.330 -2.882 -15.696 380 HD2 ARG 57 HD2 ARG 57 22.442 -4.639 -16.479 381 HD3 ARG 57 HD3 ARG 57 21.925 -5.734 -15.198 382 HE ARG 57 HE ARG 57 20.082 -4.652 -17.232 383 HH11 ARG 57 HH11 ARG 57 21.356 -7.390 -15.356 384 HH12 ARG 57 HH12 ARG 57 20.298 -8.548 -16.012 385 HH21 ARG 57 HH21 ARG 57 18.605 -6.342 -18.192 386 HH22 ARG 57 HH22 ARG 57 18.794 -7.946 -17.568 387 H TRP 58 H TRP 58 22.151 -3.313 -11.226 388 HA TRP 58 HA TRP 58 19.478 -2.337 -10.825 389 HB2 TRP 58 HB2 TRP 58 21.479 -3.304 -8.778 390 HB3 TRP 58 HB3 TRP 58 19.765 -2.977 -8.497 391 HD1 TRP 58 HD1 TRP 58 21.629 -5.872 -8.654 392 HE1 TRP 58 HE1 TRP 58 20.491 -7.839 -9.870 393 HE3 TRP 58 HE3 TRP 58 17.914 -3.310 -11.148 394 HZ2 TRP 58 HZ2 TRP 58 18.335 -8.238 -11.643 395 HZ3 TRP 58 HZ3 TRP 58 16.383 -4.564 -12.551 396 HH2 TRP 58 HH2 TRP 58 16.564 -6.966 -12.794 397 H LEU 59 H LEU 59 22.500 -1.030 -9.643 398 HA LEU 59 HA LEU 59 21.495 1.198 -8.302 399 HB2 LEU 59 HB2 LEU 59 23.988 0.855 -9.922 400 HB3 LEU 59 HB3 LEU 59 23.583 2.420 -9.267 401 HG LEU 59 HG LEU 59 25.218 1.223 -7.921 402 HD11 LEU 59 HD11 LEU 59 23.698 2.843 -6.895 403 HD12 LEU 59 HD12 LEU 59 24.192 1.593 -5.769 404 HD13 LEU 59 HD13 LEU 59 22.580 1.533 -6.513 405 HD21 LEU 59 HD21 LEU 59 24.485 -1.009 -8.400 406 HD22 LEU 59 HD22 LEU 59 22.990 -0.733 -7.542 407 HD23 LEU 59 HD23 LEU 59 24.537 -0.758 -6.643 408 H HIS 60 H HIS 60 22.244 0.840 -11.643 409 HA HIS 60 HA HIS 60 21.632 3.461 -12.485 410 HB2 HIS 60 HB2 HIS 60 23.151 1.821 -13.471 411 HB3 HIS 60 HB3 HIS 60 21.784 0.864 -13.976 412 HD1 HIS 60 HD1 HIS 60 20.093 2.201 -15.786 413 HD2 HIS 60 HD2 HIS 60 23.928 3.694 -15.264 414 HE1 HIS 60 HE1 HIS 60 20.538 3.684 -17.768 415 H TRP 61 H TRP 61 19.837 0.469 -12.262 416 HA TRP 61 HA TRP 61 17.666 1.097 -13.923 417 HB2 TRP 61 HB2 TRP 61 18.370 -1.193 -13.254 418 HB3 TRP 61 HB3 TRP 61 17.812 -0.856 -11.631 419 HD1 TRP 61 HD1 TRP 61 16.233 -0.801 -15.197 420 HE1 TRP 61 HE1 TRP 61 13.834 -1.719 -15.018 421 HE3 TRP 61 HE3 TRP 61 16.065 -1.625 -10.190 422 HZ2 TRP 61 HZ2 TRP 61 12.099 -2.682 -13.010 423 HZ3 TRP 61 HZ3 TRP 61 14.002 -2.549 -9.202 424 HH2 TRP 61 HH2 TRP 61 12.066 -3.064 -10.591 425 H PHE 62 H PHE 62 17.900 1.057 -10.374 426 HA PHE 62 HA PHE 62 15.440 2.567 -10.251 427 HB2 PHE 62 HB2 PHE 62 16.226 2.673 -7.652 428 HB3 PHE 62 HB3 PHE 62 15.212 1.425 -8.340 429 HD1 PHE 62 HD2 PHE 62 18.624 2.273 -7.243 430 HD2 PHE 62 HD1 PHE 62 15.922 -0.737 -8.505 431 HE1 PHE 62 HE2 PHE 62 20.241 0.523 -6.558 432 HE2 PHE 62 HE1 PHE 62 17.503 -2.477 -7.850 433 HZ PHE 62 HZ PHE 62 19.646 -1.888 -6.945 434 H ARG 63 H ARG 63 18.633 3.457 -10.499 435 HA ARG 63 HA ARG 63 18.847 5.840 -9.172 436 HB2 ARG 63 HB2 ARG 63 20.456 4.624 -10.859 437 HB3 ARG 63 HB3 ARG 63 19.775 5.764 -12.007 438 HG2 ARG 63 HG2 ARG 63 21.836 6.645 -11.127 439 HG3 ARG 63 HG3 ARG 63 20.488 7.620 -10.522 440 HD2 ARG 63 HD2 ARG 63 20.542 6.480 -8.398 441 HD3 ARG 63 HD3 ARG 63 21.735 5.334 -9.001 442 HE ARG 63 HE ARG 63 22.521 8.101 -9.032 443 HH11 ARG 63 HH11 ARG 63 22.454 5.077 -7.228 444 HH12 ARG 63 HH12 ARG 63 23.753 5.414 -6.198 445 HH21 ARG 63 HH21 ARG 63 24.365 8.666 -7.582 446 HH22 ARG 63 HH22 ARG 63 24.868 7.540 -6.409 447 H LYS 64 H LYS 64 16.980 5.242 -12.057 448 HA LYS 64 HA LYS 64 16.455 7.848 -12.863 449 HB2 LYS 64 HB2 LYS 64 14.254 6.940 -13.833 450 HB3 LYS 64 HB3 LYS 64 15.761 6.275 -14.425 451 HG2 LYS 64 HG2 LYS 64 14.052 4.550 -14.116 452 HG3 LYS 64 HG3 LYS 64 15.450 4.293 -13.075 453 HD2 LYS 64 HD2 LYS 64 14.218 5.337 -11.238 454 HD3 LYS 64 HD3 LYS 64 12.792 5.456 -12.261 455 HE2 LYS 64 HE2 LYS 64 12.616 3.068 -12.453 456 HE3 LYS 64 HE3 LYS 64 14.166 2.813 -11.668 457 HZ1 LYS 64 HZ1 LYS 64 11.617 3.736 -10.439 458 HZ2 LYS 64 HZ2 LYS 64 13.093 3.904 -9.659 459 HZ3 LYS 64 HZ3 LYS 64 12.529 2.402 -9.963 460 H ASN 65 H ASN 65 15.396 6.545 -9.941 461 HA ASN 65 HA ASN 65 13.328 8.641 -9.745 462 HB2 ASN 65 HB2 ASN 65 12.529 6.318 -9.326 463 HB3 ASN 65 HB3 ASN 65 13.668 6.175 -8.008 464 HD21 ASN 65 HD21 ASN 65 13.081 6.982 -5.982 465 HD22 ASN 65 HD22 ASN 65 11.564 7.728 -5.682 466 H GLY 66 H GLY 66 16.447 8.357 -9.177 467 HA2 GLY 66 HA2 GLY 66 17.828 9.763 -7.987 468 HA3 GLY 66 HA3 GLY 66 16.409 10.437 -7.205 469 H TYR 67 H TYR 67 17.068 7.010 -7.153 470 HA TYR 67 HA TYR 67 17.084 6.908 -4.316 471 HB2 TYR 67 HB2 TYR 67 17.936 4.860 -6.372 472 HB3 TYR 67 HB3 TYR 67 17.945 4.553 -4.646 473 HD1 TYR 67 HD1 TYR 67 15.783 4.406 -3.416 474 HD2 TYR 67 HD2 TYR 67 15.890 4.777 -7.642 475 HE1 TYR 67 HE1 TYR 67 13.463 3.583 -3.573 476 HE2 TYR 67 HE2 TYR 67 13.608 3.982 -7.789 477 HH TYR 67 HH TYR 67 12.056 2.508 -6.424 478 H ARG 68 H ARG 68 18.611 7.241 -2.943 479 HA ARG 68 HA ARG 68 21.263 8.043 -3.869 480 HB2 ARG 68 HB2 ARG 68 20.232 8.028 -1.068 481 HB3 ARG 68 HB3 ARG 68 21.517 9.009 -1.744 482 HG2 ARG 68 HG2 ARG 68 19.946 10.371 -2.957 483 HG3 ARG 68 HG3 ARG 68 18.612 9.304 -2.516 484 HD2 ARG 68 HD2 ARG 68 19.080 9.867 -0.114 485 HD3 ARG 68 HD3 ARG 68 20.220 11.082 -0.686 486 HE ARG 68 HE ARG 68 18.043 11.778 -2.009 487 HH11 ARG 68 HH11 ARG 68 18.476 10.972 1.427 488 HH12 ARG 68 HH12 ARG 68 17.180 11.876 1.990 489 HH21 ARG 68 HH21 ARG 68 16.177 13.095 -1.209 490 HH22 ARG 68 HH22 ARG 68 15.866 13.111 0.475 491 H LEU 69 H LEU 69 22.578 6.241 -4.097 492 HA LEU 69 HA LEU 69 23.518 4.885 -1.810 493 HB2 LEU 69 HB2 LEU 69 22.891 2.592 -2.266 494 HB3 LEU 69 HB3 LEU 69 21.466 3.541 -1.948 495 HG LEU 69 HG LEU 69 22.372 2.509 -4.644 496 HD11 LEU 69 HD11 LEU 69 21.526 0.762 -3.146 497 HD12 LEU 69 HD12 LEU 69 20.389 1.071 -4.462 498 HD13 LEU 69 HD13 LEU 69 20.076 1.729 -2.862 499 HD21 LEU 69 HD21 LEU 69 21.165 4.603 -4.907 500 HD22 LEU 69 HD22 LEU 69 19.903 4.034 -3.849 501 HD23 LEU 69 HD23 LEU 69 20.137 3.260 -5.431 502 H THR 70 H THR 70 25.321 4.157 -1.848 503 HA THR 70 HA THR 70 26.738 4.380 -4.356 504 HB THR 70 HB THR 70 27.953 3.668 -1.678 505 HG1 THR 70 HG1 THR 70 26.720 5.322 -1.134 506 HG21 THR 70 HG21 THR 70 28.879 5.443 -3.959 507 HG22 THR 70 HG22 THR 70 29.436 3.795 -3.654 508 HG23 THR 70 HG23 THR 70 29.805 5.077 -2.507 509 H LEU 71 H LEU 71 28.461 2.490 -4.263 510 HA LEU 71 HA LEU 71 26.885 0.214 -4.807 511 HB2 LEU 71 HB2 LEU 71 29.899 0.371 -4.907 512 HB3 LEU 71 HB3 LEU 71 28.894 -0.875 -5.619 513 HG LEU 71 HG LEU 71 29.531 0.473 -7.433 514 HD11 LEU 71 HD11 LEU 71 27.505 1.522 -8.219 515 HD12 LEU 71 HD12 LEU 71 26.846 1.477 -6.583 516 HD13 LEU 71 HD13 LEU 71 27.172 -0.033 -7.448 517 HD21 LEU 71 HD21 LEU 71 29.382 2.876 -7.506 518 HD22 LEU 71 HD22 LEU 71 30.370 2.382 -6.103 519 HD23 LEU 71 HD23 LEU 71 28.666 2.853 -5.892 520 H ARG 72 H ARG 72 28.779 1.308 -2.370 521 HA ARG 72 HA ARG 72 29.725 -0.928 -0.882 522 HB2 ARG 72 HB2 ARG 72 30.562 1.291 -0.506 523 HB3 ARG 72 HB3 ARG 72 28.959 1.891 -0.149 524 HG2 ARG 72 HG2 ARG 72 28.990 0.407 1.890 525 HG3 ARG 72 HG3 ARG 72 30.714 0.153 1.561 526 HD2 ARG 72 HD2 ARG 72 30.302 2.023 3.157 527 HD3 ARG 72 HD3 ARG 72 31.129 2.543 1.682 528 HE ARG 72 HE ARG 72 28.229 2.731 1.653 529 HH11 ARG 72 HH11 ARG 72 31.176 4.560 2.337 530 HH12 ARG 72 HH12 ARG 72 30.481 6.069 1.936 531 HH21 ARG 72 HH21 ARG 72 27.325 4.652 1.068 532 HH22 ARG 72 HH22 ARG 72 28.148 6.139 1.166 533 H GLU 73 H GLU 73 26.754 0.941 -0.755 534 HA GLU 73 HA GLU 73 25.439 -0.047 1.420 535 HB2 GLU 73 HB2 GLU 73 24.575 0.929 -1.272 536 HB3 GLU 73 HB3 GLU 73 23.407 0.459 -0.060 537 HG2 GLU 73 HG2 GLU 73 23.972 2.828 -0.421 538 HG3 GLU 73 HG3 GLU 73 23.917 2.328 1.301 539 H LEU 74 H LEU 74 25.250 -1.089 -1.876 540 HA LEU 74 HA LEU 74 23.502 -3.288 -1.560 541 HB2 LEU 74 HB2 LEU 74 25.555 -2.867 -3.737 542 HB3 LEU 74 HB3 LEU 74 24.294 -4.069 -3.774 543 HG LEU 74 HG LEU 74 23.665 -2.313 -5.220 544 HD11 LEU 74 HD11 LEU 74 22.075 -2.028 -2.704 545 HD12 LEU 74 HD12 LEU 74 21.850 -3.234 -3.971 546 HD13 LEU 74 HD13 LEU 74 21.567 -1.526 -4.318 547 HD21 LEU 74 HD21 LEU 74 24.009 -0.382 -2.949 548 HD22 LEU 74 HD22 LEU 74 23.469 0.007 -4.584 549 HD23 LEU 74 HD23 LEU 74 25.117 -0.586 -4.301 550 H TYR 75 H TYR 75 26.950 -3.017 -1.408 551 HA TYR 75 HA TYR 75 27.499 -5.842 -1.344 552 HB2 TYR 75 HB2 TYR 75 29.079 -3.359 -1.037 553 HB3 TYR 75 HB3 TYR 75 29.822 -4.862 -0.553 554 HD1 TYR 75 HD2 TYR 75 28.913 -6.723 -2.524 555 HD2 TYR 75 HD1 TYR 75 29.986 -2.658 -2.995 556 HE1 TYR 75 HE2 TYR 75 29.500 -7.175 -4.858 557 HE2 TYR 75 HE1 TYR 75 30.608 -3.075 -5.339 558 HH TYR 75 HH TYR 75 29.787 -5.913 -6.987 559 H ALA 76 H ALA 76 27.138 -3.315 1.058 560 HA ALA 76 HA ALA 76 28.333 -4.730 3.119 561 HB1 ALA 76 HB1 ALA 76 28.020 -2.310 3.217 562 HB2 ALA 76 HB2 ALA 76 27.326 -3.082 4.643 563 HB3 ALA 76 HB3 ALA 76 26.275 -2.532 3.338 564 H ALA 77 H ALA 77 24.967 -4.421 2.143 565 HA ALA 77 HA ALA 77 24.454 -6.905 3.548 566 HB1 ALA 77 HB1 ALA 77 22.337 -6.100 4.464 567 HB2 ALA 77 HB2 ALA 77 22.642 -4.499 3.793 568 HB3 ALA 77 HB3 ALA 77 23.683 -5.132 5.068 569 HA PRO 78 HA PRO 78 22.763 -6.918 -0.691 570 HB2 PRO 78 HB2 PRO 78 23.933 -9.531 -1.032 571 HB3 PRO 78 HB3 PRO 78 24.383 -8.027 -1.859 572 HG2 PRO 78 HG2 PRO 78 26.006 -9.308 -0.085 573 HG3 PRO 78 HG3 PRO 78 26.079 -7.573 -0.441 574 HD2 PRO 78 HD2 PRO 78 24.844 -8.960 1.889 575 HD3 PRO 78 HD3 PRO 78 25.740 -7.426 1.820 576 H THR 79 H THR 79 20.790 -7.115 0.369 577 HA THR 79 HA THR 79 19.553 -9.724 0.173 578 HB THR 79 HB THR 79 18.389 -9.344 2.381 579 HG1 THR 79 HG1 THR 79 20.425 -7.411 2.780 580 HG21 THR 79 HG21 THR 79 20.272 -10.926 2.349 581 HG22 THR 79 HG22 THR 79 20.209 -10.059 3.884 582 HG23 THR 79 HG23 THR 79 21.393 -9.602 2.659 583 H LEU 80 H LEU 80 17.322 -9.347 -0.384 584 HA LEU 80 HA LEU 80 16.770 -6.677 -1.273 585 HB2 LEU 80 HB2 LEU 80 14.961 -9.058 -1.067 586 HB3 LEU 80 HB3 LEU 80 14.475 -7.516 -1.750 587 HG LEU 80 HG LEU 80 16.685 -9.224 -2.669 588 HD11 LEU 80 HD11 LEU 80 14.328 -10.086 -3.160 589 HD12 LEU 80 HD12 LEU 80 15.174 -9.612 -4.653 590 HD13 LEU 80 HD13 LEU 80 14.034 -8.499 -3.901 591 HD21 LEU 80 HD21 LEU 80 15.515 -6.717 -3.854 592 HD22 LEU 80 HD22 LEU 80 16.657 -7.748 -4.695 593 HD23 LEU 80 HD23 LEU 80 17.159 -6.910 -3.219 594 H ALA 81 H ALA 81 16.300 -8.442 1.416 595 HA ALA 81 HA ALA 81 14.337 -7.006 2.837 596 HB1 ALA 81 HB1 ALA 81 15.417 -7.776 4.903 597 HB2 ALA 81 HB2 ALA 81 16.862 -8.211 3.990 598 HB3 ALA 81 HB3 ALA 81 15.349 -9.074 3.710 599 H ALA 82 H ALA 82 17.898 -6.431 2.897 600 HA ALA 82 HA ALA 82 17.583 -3.936 4.254 601 HB1 ALA 82 HB1 ALA 82 19.987 -3.695 4.006 602 HB2 ALA 82 HB2 ALA 82 20.020 -5.042 2.868 603 HB3 ALA 82 HB3 ALA 82 19.585 -5.323 4.553 604 H TRP 83 H TRP 83 18.060 -4.888 0.885 605 HA TRP 83 HA TRP 83 18.564 -2.292 -0.074 606 HB2 TRP 83 HB2 TRP 83 17.351 -4.651 -1.540 607 HB3 TRP 83 HB3 TRP 83 17.830 -3.152 -2.317 608 HD1 TRP 83 HD1 TRP 83 20.416 -3.920 0.200 609 HE1 TRP 83 HE1 TRP 83 22.438 -5.078 -0.859 610 HE3 TRP 83 HE3 TRP 83 18.369 -5.069 -4.329 611 HZ2 TRP 83 HZ2 TRP 83 23.087 -6.336 -3.329 612 HZ3 TRP 83 HZ3 TRP 83 19.754 -6.251 -5.990 613 HH2 TRP 83 HH2 TRP 83 22.062 -6.865 -5.497 614 H ASN 84 H ASN 84 15.594 -3.972 0.612 615 HA ASN 84 HA ASN 84 13.736 -2.202 -0.505 616 HB2 ASN 84 HB2 ASN 84 13.068 -4.355 0.447 617 HB3 ASN 84 HB3 ASN 84 13.567 -3.832 2.047 618 HD21 ASN 84 HD21 ASN 84 12.184 -2.554 3.255 619 HD22 ASN 84 HD22 ASN 84 10.576 -2.194 2.723 620 H GLN 85 H GLN 85 15.428 -2.134 2.601 621 HA GLN 85 HA GLN 85 14.154 0.148 3.655 622 HB2 GLN 85 HB2 GLN 85 15.447 -1.367 5.072 623 HB3 GLN 85 HB3 GLN 85 16.913 -0.976 4.185 624 HG2 GLN 85 HG2 GLN 85 16.720 1.352 4.943 625 HG3 GLN 85 HG3 GLN 85 15.303 0.906 5.888 626 HE21 GLN 85 HE21 GLN 85 16.300 1.514 7.800 627 HE22 GLN 85 HE22 GLN 85 17.563 0.556 8.505 628 H LEU 86 H LEU 86 17.149 -0.316 1.840 629 HA LEU 86 HA LEU 86 18.055 2.306 1.698 630 HB2 LEU 86 HB2 LEU 86 18.297 0.105 -0.329 631 HB3 LEU 86 HB3 LEU 86 19.190 1.609 -0.395 632 HG LEU 86 HG LEU 86 19.383 -0.388 1.845 633 HD11 LEU 86 HD11 LEU 86 21.217 0.188 -0.470 634 HD12 LEU 86 HD12 LEU 86 20.246 -1.272 -0.292 635 HD13 LEU 86 HD13 LEU 86 21.568 -0.940 0.840 636 HD21 LEU 86 HD21 LEU 86 21.057 2.010 1.142 637 HD22 LEU 86 HD22 LEU 86 21.397 0.869 2.438 638 HD23 LEU 86 HD23 LEU 86 19.956 1.890 2.520 639 H MET 87 H MET 87 15.667 0.613 -0.165 640 HA MET 87 HA MET 87 15.417 2.688 -2.110 641 HB2 MET 87 HB2 MET 87 13.875 0.135 -1.737 642 HB3 MET 87 HB3 MET 87 13.584 1.278 -3.043 643 HG2 MET 87 HG2 MET 87 15.840 0.964 -3.871 644 HG3 MET 87 HG3 MET 87 16.214 -0.095 -2.517 645 HE1 MET 87 HE1 MET 87 12.867 -0.020 -4.577 646 HE2 MET 87 HE2 MET 87 13.244 -1.127 -5.898 647 HE3 MET 87 HE3 MET 87 14.105 0.405 -5.755 648 H LEU 88 H LEU 88 13.250 1.516 0.503 649 HA LEU 88 HA LEU 88 11.608 3.707 -0.320 650 HB2 LEU 88 HB2 LEU 88 9.772 2.760 1.028 651 HB3 LEU 88 HB3 LEU 88 10.301 1.995 -0.459 652 HG LEU 88 HG LEU 88 11.541 0.357 0.960 653 HD11 LEU 88 HD11 LEU 88 10.885 0.153 3.288 654 HD12 LEU 88 HD12 LEU 88 9.841 1.578 3.113 655 HD13 LEU 88 HD13 LEU 88 11.588 1.748 2.949 656 HD21 LEU 88 HD21 LEU 88 9.523 0.025 -0.189 657 HD22 LEU 88 HD22 LEU 88 8.589 0.628 1.179 658 HD23 LEU 88 HD23 LEU 88 9.504 -0.907 1.325 659 H SER 89 H SER 89 13.547 3.193 2.333 660 HA SER 89 HA SER 89 12.193 5.096 4.116 661 HB2 SER 89 HB2 SER 89 15.115 4.683 4.009 662 HB3 SER 89 HB3 SER 89 14.122 5.088 5.374 663 HG SER 89 HG SER 89 14.666 2.637 4.284 664 H ARG 90 H ARG 90 14.630 5.127 1.625 665 HA ARG 90 HA ARG 90 16.166 7.085 1.905 666 HB2 ARG 90 HB2 ARG 90 15.691 5.480 -0.052 667 HB3 ARG 90 HB3 ARG 90 14.822 6.853 -0.724 668 HG2 ARG 90 HG2 ARG 90 16.825 7.286 -1.603 669 HG3 ARG 90 HG3 ARG 90 17.006 8.064 -0.012 670 HD2 ARG 90 HD2 ARG 90 17.931 5.272 -0.685 671 HD3 ARG 90 HD3 ARG 90 18.993 6.661 -0.650 672 HE ARG 90 HE ARG 90 17.711 6.425 1.825 673 HH11 ARG 90 HH11 ARG 90 20.356 5.069 -0.030 674 HH12 ARG 90 HH12 ARG 90 21.015 4.147 1.251 675 HH21 ARG 90 HH21 ARG 90 18.477 5.195 3.523 676 HH22 ARG 90 HH22 ARG 90 19.896 4.232 3.440 677 H SER 91 H SER 91 15.072 8.478 3.172 678 HA SER 91 HA SER 91 14.410 10.835 1.598 679 HB2 SER 91 HB2 SER 91 12.502 9.972 3.809 680 HB3 SER 91 HB3 SER 91 12.407 11.497 2.929 681 HG SER 91 HG SER 91 12.570 9.501 1.192 682 HA PRO 92 HA PRO 92 15.985 12.443 5.806 683 HB2 PRO 92 HB2 PRO 92 16.520 10.662 7.816 684 HB3 PRO 92 HB3 PRO 92 14.955 11.487 7.675 685 HG2 PRO 92 HG2 PRO 92 15.679 8.718 6.887 686 HG3 PRO 92 HG3 PRO 92 14.197 9.329 7.646 687 HD2 PRO 92 HD2 PRO 92 14.301 8.738 5.019 688 HD3 PRO 92 HD3 PRO 92 13.294 10.023 5.687 689 H GLU 93 H GLU 93 16.865 9.380 4.517 690 HA GLU 93 HA GLU 93 19.659 10.095 4.604 691 HB2 GLU 93 HB2 GLU 93 19.707 7.371 4.301 692 HB3 GLU 93 HB3 GLU 93 19.946 8.207 5.821 693 HG2 GLU 93 HG2 GLU 93 18.407 6.359 6.119 694 HG3 GLU 93 HG3 GLU 93 17.568 7.879 6.369 Start of MODEL 16 1 H ASP 14 HT1 ASP 14 4.855 -2.950 -4.038 2 HA ASP 14 HA ASP 14 4.909 -3.905 -1.909 3 HB2 ASP 14 HB2 ASP 14 7.602 -2.519 -1.601 4 HB3 ASP 14 HB3 ASP 14 6.780 -3.434 -0.336 5 H ASN 15 H ASN 15 6.682 -0.951 -1.254 6 HA ASN 15 HA ASN 15 4.228 0.477 -0.494 7 HB2 ASN 15 HB2 ASN 15 6.630 0.721 0.612 8 HB3 ASN 15 HB3 ASN 15 7.028 1.664 -0.809 9 HD21 ASN 15 HD21 ASN 15 7.026 2.476 1.981 10 HD22 ASN 15 HD22 ASN 15 5.916 3.789 2.098 11 H ARG 16 H ARG 16 4.403 2.867 -1.525 12 HA ARG 16 HA ARG 16 3.098 2.497 -3.943 13 HB2 ARG 16 HB2 ARG 16 4.275 5.051 -2.880 14 HB3 ARG 16 HB3 ARG 16 2.997 4.917 -4.084 15 HG2 ARG 16 HG2 ARG 16 2.822 3.846 -1.288 16 HG3 ARG 16 HG3 ARG 16 2.132 5.408 -1.789 17 HD2 ARG 16 HD2 ARG 16 0.681 4.179 -3.370 18 HD3 ARG 16 HD3 ARG 16 1.405 2.660 -2.845 19 HE ARG 16 HE ARG 16 0.253 4.259 -0.760 20 HH11 ARG 16 HH11 ARG 16 -0.313 1.658 -3.091 21 HH12 ARG 16 HH12 ARG 16 -1.619 0.953 -2.269 22 HH21 ARG 16 HH21 ARG 16 -1.590 3.307 0.423 23 HH22 ARG 16 HH22 ARG 16 -2.372 1.936 -0.196 24 H HIS 17 H HIS 17 6.343 4.116 -3.684 25 HA HIS 17 HA HIS 17 6.579 3.742 -6.542 26 HB2 HIS 17 HB2 HIS 17 7.382 5.858 -5.316 27 HB3 HIS 17 HB3 HIS 17 8.690 4.871 -4.678 28 HD1 HIS 17 HD1 HIS 17 10.310 6.584 -6.019 29 HD2 HIS 17 HD2 HIS 17 7.931 4.122 -8.375 30 HE1 HIS 17 HE1 HIS 17 11.138 6.846 -8.368 31 H ALA 18 H ALA 18 7.625 2.505 -3.557 32 HA ALA 18 HA ALA 18 9.696 0.745 -4.193 33 HB1 ALA 18 HB1 ALA 18 7.549 0.216 -2.177 34 HB2 ALA 18 HB2 ALA 18 8.961 1.236 -1.888 35 HB3 ALA 18 HB3 ALA 18 9.163 -0.489 -2.209 36 H ALA 19 H ALA 19 6.533 0.568 -5.306 37 HA ALA 19 HA ALA 19 6.236 -2.079 -6.016 38 HB1 ALA 19 HB1 ALA 19 5.743 0.359 -7.738 39 HB2 ALA 19 HB2 ALA 19 4.607 -0.322 -6.573 40 HB3 ALA 19 HB3 ALA 19 5.059 -1.244 -8.008 41 H ASP 20 H ASP 20 8.671 0.279 -7.073 42 HA ASP 20 HA ASP 20 9.955 -0.690 -9.265 43 HB2 ASP 20 HB2 ASP 20 11.257 -0.091 -6.587 44 HB3 ASP 20 HB3 ASP 20 12.188 -0.482 -8.009 45 H TYR 21 H TYR 21 10.158 -1.919 -6.016 46 HA TYR 21 HA TYR 21 12.007 -4.032 -6.180 47 HB2 TYR 21 HB2 TYR 21 10.398 -2.851 -4.263 48 HB3 TYR 21 HB3 TYR 21 9.908 -4.551 -4.321 49 HD1 TYR 21 HD2 TYR 21 11.576 -6.277 -4.221 50 HD2 TYR 21 HD1 TYR 21 12.455 -2.236 -3.417 51 HE1 TYR 21 HE2 TYR 21 13.605 -6.968 -3.222 52 HE2 TYR 21 HE1 TYR 21 14.571 -2.890 -2.399 53 HH TYR 21 HH TYR 21 15.391 -5.038 -1.273 54 H GLN 22 H GLN 22 8.647 -4.000 -6.954 55 HA GLN 22 HA GLN 22 8.484 -6.860 -6.998 56 HB2 GLN 22 HB2 GLN 22 6.608 -4.736 -8.030 57 HB3 GLN 22 HB3 GLN 22 6.249 -6.461 -8.104 58 HG2 GLN 22 HG2 GLN 22 6.317 -6.658 -5.725 59 HG3 GLN 22 HG3 GLN 22 6.919 -5.016 -5.556 60 HE21 GLN 22 HE21 GLN 22 4.592 -6.301 -4.408 61 HE22 GLN 22 HE22 GLN 22 3.220 -5.374 -4.920 62 H GLN 23 H GLN 23 9.123 -4.402 -9.366 63 HA GLN 23 HA GLN 23 9.233 -6.250 -11.591 64 HB2 GLN 23 HB2 GLN 23 10.004 -3.342 -11.275 65 HB3 GLN 23 HB3 GLN 23 10.116 -4.219 -12.797 66 HG2 GLN 23 HG2 GLN 23 7.552 -3.939 -11.248 67 HG3 GLN 23 HG3 GLN 23 8.055 -2.804 -12.502 68 HE21 GLN 23 HE21 GLN 23 7.108 -6.118 -11.859 69 HE22 GLN 23 HE22 GLN 23 6.773 -6.556 -13.473 70 H LEU 24 H LEU 24 11.308 -4.872 -9.262 71 HA LEU 24 HA LEU 24 13.864 -5.490 -10.351 72 HB2 LEU 24 HB2 LEU 24 13.247 -3.891 -8.470 73 HB3 LEU 24 HB3 LEU 24 12.996 -5.289 -7.463 74 HG LEU 24 HG LEU 24 15.682 -4.497 -8.634 75 HD11 LEU 24 HD11 LEU 24 16.178 -3.705 -6.371 76 HD12 LEU 24 HD12 LEU 24 14.514 -4.040 -5.896 77 HD13 LEU 24 HD13 LEU 24 14.854 -2.803 -7.106 78 HD21 LEU 24 HD21 LEU 24 15.490 -6.873 -8.027 79 HD22 LEU 24 HD22 LEU 24 14.977 -6.411 -6.403 80 HD23 LEU 24 HD23 LEU 24 16.602 -6.012 -6.968 81 H ARG 25 H ARG 25 12.024 -7.096 -7.741 82 HA ARG 25 HA ARG 25 13.559 -9.351 -7.370 83 HB2 ARG 25 HB2 ARG 25 10.614 -8.879 -7.028 84 HB3 ARG 25 HB3 ARG 25 11.311 -10.453 -6.685 85 HG2 ARG 25 HG2 ARG 25 12.690 -9.557 -4.986 86 HG3 ARG 25 HG3 ARG 25 12.251 -7.899 -5.439 87 HD2 ARG 25 HD2 ARG 25 10.084 -8.148 -4.627 88 HD3 ARG 25 HD3 ARG 25 10.203 -9.914 -4.508 89 HE ARG 25 HE ARG 25 11.844 -9.396 -2.633 90 HH11 ARG 25 HH11 ARG 25 9.215 -7.103 -3.426 91 HH12 ARG 25 HH12 ARG 25 9.018 -6.553 -1.847 92 HH21 ARG 25 HH21 ARG 25 11.567 -8.663 -0.469 93 HH22 ARG 25 HH22 ARG 25 10.397 -7.466 -0.107 94 H GLU 26 H GLU 26 10.894 -8.923 -9.646 95 HA GLU 26 HA GLU 26 10.509 -11.394 -10.698 96 HB2 GLU 26 HB2 GLU 26 9.203 -9.357 -11.168 97 HB3 GLU 26 HB3 GLU 26 10.551 -8.706 -12.081 98 HG2 GLU 26 HG2 GLU 26 10.312 -10.851 -13.463 99 HG3 GLU 26 HG3 GLU 26 8.698 -10.915 -12.739 100 H ARG 27 H ARG 27 12.945 -8.982 -11.534 101 HA ARG 27 HA ARG 27 13.655 -10.537 -13.778 102 HB2 ARG 27 HB2 ARG 27 14.421 -7.772 -13.027 103 HB3 ARG 27 HB3 ARG 27 15.010 -8.597 -14.496 104 HG2 ARG 27 HG2 ARG 27 12.819 -9.107 -15.196 105 HG3 ARG 27 HG3 ARG 27 12.147 -8.534 -13.692 106 HD2 ARG 27 HD2 ARG 27 12.945 -6.287 -14.362 107 HD3 ARG 27 HD3 ARG 27 13.279 -7.027 -15.961 108 HE ARG 27 HE ARG 27 10.859 -7.959 -15.469 109 HH11 ARG 27 HH11 ARG 27 11.890 -4.592 -15.458 110 HH12 ARG 27 HH12 ARG 27 10.271 -4.010 -15.553 111 HH21 ARG 27 HH21 ARG 27 8.852 -7.245 -15.517 112 HH22 ARG 27 HH22 ARG 27 8.439 -5.584 -15.531 113 H LEU 28 H LEU 28 14.953 -10.134 -10.672 114 HA LEU 28 HA LEU 28 17.511 -11.217 -11.301 115 HB2 LEU 28 HB2 LEU 28 15.873 -11.409 -8.762 116 HB3 LEU 28 HB3 LEU 28 17.428 -12.185 -8.928 117 HG LEU 28 HG LEU 28 18.428 -9.906 -9.287 118 HD11 LEU 28 HD11 LEU 28 17.173 -7.981 -8.651 119 HD12 LEU 28 HD12 LEU 28 15.737 -8.992 -8.400 120 HD13 LEU 28 HD13 LEU 28 16.414 -8.812 -10.012 121 HD21 LEU 28 HD21 LEU 28 16.973 -10.377 -6.698 122 HD22 LEU 28 HD22 LEU 28 18.346 -9.294 -6.932 123 HD23 LEU 28 HD23 LEU 28 18.548 -11.036 -7.140 124 H ILE 29 H ILE 29 14.371 -12.516 -10.615 125 HA ILE 29 HA ILE 29 14.962 -15.215 -10.411 126 HB ILE 29 HB ILE 29 12.555 -13.586 -10.849 127 HG12 ILE 29 HG12 ILE 29 11.662 -14.897 -9.066 128 HG13 ILE 29 HG11 ILE 29 12.977 -16.053 -9.194 129 HG21 ILE 29 HG21 ILE 29 11.034 -15.421 -11.342 130 HG22 ILE 29 HG22 ILE 29 12.414 -16.474 -11.653 131 HG23 ILE 29 HG23 ILE 29 12.122 -15.072 -12.689 132 HD11 ILE 29 HD11 ILE 29 13.193 -13.175 -8.419 133 HD12 ILE 29 HD12 ILE 29 14.545 -14.333 -8.551 134 HD13 ILE 29 HD13 ILE 29 13.288 -14.573 -7.330 135 H GLN 30 H GLN 30 14.657 -13.269 -13.204 136 HA GLN 30 HA GLN 30 14.321 -15.399 -15.064 137 HB2 GLN 30 HB2 GLN 30 15.417 -12.657 -15.636 138 HB3 GLN 30 HB3 GLN 30 14.547 -13.742 -16.724 139 HG2 GLN 30 HG2 GLN 30 12.515 -13.473 -15.367 140 HG3 GLN 30 HG3 GLN 30 13.399 -12.402 -14.291 141 HE21 GLN 30 HE21 GLN 30 11.000 -11.848 -15.753 142 HE22 GLN 30 HE22 GLN 30 11.330 -10.508 -16.770 143 H GLU 31 H GLU 31 17.044 -13.600 -13.742 144 HA GLU 31 HA GLU 31 18.950 -14.938 -15.457 145 HB2 GLU 31 HB2 GLU 31 19.502 -13.088 -13.135 146 HB3 GLU 31 HB3 GLU 31 20.613 -13.536 -14.425 147 HG2 GLU 31 HG2 GLU 31 18.993 -12.470 -16.030 148 HG3 GLU 31 HG3 GLU 31 18.148 -11.898 -14.582 149 H LEU 32 H LEU 32 17.746 -15.152 -12.185 150 HA LEU 32 HA LEU 32 19.826 -16.836 -11.280 151 HB2 LEU 32 HB2 LEU 32 17.148 -16.185 -10.019 152 HB3 LEU 32 HB3 LEU 32 18.459 -17.052 -9.243 153 HG LEU 32 HG LEU 32 18.370 -14.246 -10.165 154 HD11 LEU 32 HD11 LEU 32 18.734 -13.706 -7.768 155 HD12 LEU 32 HD12 LEU 32 18.609 -15.429 -7.401 156 HD13 LEU 32 HD13 LEU 32 17.225 -14.565 -8.082 157 HD21 LEU 32 HD21 LEU 32 20.762 -15.727 -9.066 158 HD22 LEU 32 HD22 LEU 32 20.655 -13.971 -9.155 159 HD23 LEU 32 HD23 LEU 32 20.579 -14.918 -10.628 160 H ASN 33 H ASN 33 16.921 -17.218 -12.954 161 HA ASN 33 HA ASN 33 15.656 -18.852 -13.710 162 HB2 ASN 33 HB2 ASN 33 17.831 -19.532 -14.761 163 HB3 ASN 33 HB3 ASN 33 18.123 -20.607 -13.403 164 HD21 ASN 33 HD21 ASN 33 16.893 -22.486 -13.245 165 HD22 ASN 33 HD22 ASN 33 16.013 -23.142 -14.596 166 H LEU 34 H LEU 34 14.704 -18.487 -11.486 167 HA LEU 34 HA LEU 34 13.998 -20.987 -10.419 168 HB2 LEU 34 HB2 LEU 34 14.484 -20.210 -8.054 169 HB3 LEU 34 HB3 LEU 34 15.817 -20.846 -9.004 170 HG LEU 34 HG LEU 34 16.528 -18.460 -9.388 171 HD11 LEU 34 HD11 LEU 34 14.543 -17.877 -7.215 172 HD12 LEU 34 HD12 LEU 34 14.393 -17.446 -8.912 173 HD13 LEU 34 HD13 LEU 34 15.689 -16.728 -7.938 174 HD21 LEU 34 HD21 LEU 34 17.603 -19.892 -7.793 175 HD22 LEU 34 HD22 LEU 34 16.408 -19.465 -6.567 176 HD23 LEU 34 HD23 LEU 34 17.532 -18.237 -7.172 177 H THR 35 H THR 35 12.471 -20.262 -8.246 178 HA THR 35 HA THR 35 10.588 -18.552 -9.597 179 HB THR 35 HB THR 35 9.069 -19.487 -7.732 180 HG1 THR 35 HG1 THR 35 9.932 -21.572 -6.971 181 HG21 THR 35 HG21 THR 35 10.259 -21.393 -9.759 182 HG22 THR 35 HG22 THR 35 8.945 -20.256 -10.063 183 HG23 THR 35 HG23 THR 35 8.709 -21.600 -8.945 184 HA PRO 36 HA PRO 36 11.266 -15.050 -6.995 185 HB2 PRO 36 HB2 PRO 36 8.348 -15.011 -6.390 186 HB3 PRO 36 HB3 PRO 36 9.380 -13.727 -7.060 187 HG2 PRO 36 HG2 PRO 36 7.717 -15.009 -8.635 188 HG3 PRO 36 HG3 PRO 36 9.350 -14.589 -9.188 189 HD2 PRO 36 HD2 PRO 36 8.290 -17.239 -8.327 190 HD3 PRO 36 HD3 PRO 36 9.433 -16.835 -9.626 191 H GLN 37 H GLN 37 9.456 -17.684 -5.712 192 HA GLN 37 HA GLN 37 9.510 -16.807 -2.979 193 HB2 GLN 37 HB2 GLN 37 8.600 -19.045 -2.486 194 HB3 GLN 37 HB3 GLN 37 7.675 -18.180 -3.709 195 HG2 GLN 37 HG2 GLN 37 8.751 -19.423 -5.448 196 HG3 GLN 37 HG3 GLN 37 9.760 -20.234 -4.250 197 HE21 GLN 37 HE21 GLN 37 8.917 -21.893 -3.056 198 HE22 GLN 37 HE22 GLN 37 7.360 -22.580 -3.370 199 H GLN 38 H GLN 38 11.819 -18.289 -5.049 200 HA GLN 38 HA GLN 38 13.128 -19.495 -2.729 201 HB2 GLN 38 HB2 GLN 38 13.577 -20.084 -5.657 202 HB3 GLN 38 HB3 GLN 38 14.382 -20.877 -4.313 203 HG2 GLN 38 HG2 GLN 38 11.461 -21.028 -5.033 204 HG3 GLN 38 HG3 GLN 38 12.657 -22.303 -5.176 205 HE21 GLN 38 HE21 GLN 38 13.868 -21.713 -2.555 206 HE22 GLN 38 HE22 GLN 38 12.729 -22.285 -1.388 207 H LEU 39 H LEU 39 13.182 -16.615 -3.751 208 HA LEU 39 HA LEU 39 16.001 -16.489 -4.365 209 HB2 LEU 39 HB2 LEU 39 15.792 -14.165 -4.909 210 HB3 LEU 39 HB3 LEU 39 14.480 -15.005 -5.683 211 HG LEU 39 HG LEU 39 12.957 -14.092 -3.839 212 HD11 LEU 39 HD11 LEU 39 13.762 -12.150 -2.598 213 HD12 LEU 39 HD12 LEU 39 15.369 -12.366 -3.303 214 HD13 LEU 39 HD13 LEU 39 14.739 -13.570 -2.207 215 HD21 LEU 39 HD21 LEU 39 12.841 -11.863 -4.805 216 HD22 LEU 39 HD22 LEU 39 13.037 -13.080 -6.065 217 HD23 LEU 39 HD23 LEU 39 14.419 -12.100 -5.543 218 H HIS 40 H HIS 40 17.366 -14.949 -3.171 219 HA HIS 40 HA HIS 40 17.148 -15.546 -0.404 220 HB2 HIS 40 HB2 HIS 40 19.222 -14.096 -2.048 221 HB3 HIS 40 HB3 HIS 40 19.409 -14.515 -0.366 222 HD1 HIS 40 HD1 HIS 40 21.651 -15.700 -1.614 223 HD2 HIS 40 HD2 HIS 40 17.949 -17.539 -2.092 224 HE1 HIS 40 HE1 HIS 40 22.120 -18.054 -2.359 225 H GLU 41 H GLU 41 15.371 -14.203 0.211 226 HA GLU 41 HA GLU 41 15.405 -11.325 -0.143 227 HB2 GLU 41 HB2 GLU 41 13.771 -13.217 1.540 228 HB3 GLU 41 HB3 GLU 41 13.714 -11.497 1.857 229 HG2 GLU 41 HG2 GLU 41 13.015 -12.772 -0.778 230 HG3 GLU 41 HG3 GLU 41 11.853 -12.354 0.476 231 H GLU 42 H GLU 42 15.963 -13.611 2.364 232 HA GLU 42 HA GLU 42 17.164 -11.652 4.136 233 HB2 GLU 42 HB2 GLU 42 17.017 -13.848 5.650 234 HB3 GLU 42 HB3 GLU 42 15.663 -12.751 5.465 235 HG2 GLU 42 HG2 GLU 42 15.074 -15.195 5.314 236 HG3 GLU 42 HG3 GLU 42 14.559 -14.231 3.938 237 H SER 43 H SER 43 17.852 -14.310 2.058 238 HA SER 43 HA SER 43 20.363 -14.838 3.303 239 HB2 SER 43 HB2 SER 43 18.847 -15.957 0.978 240 HB3 SER 43 HB3 SER 43 20.508 -16.466 1.313 241 HG SER 43 HG SER 43 18.216 -16.736 3.046 242 H ASN 44 H ASN 44 22.321 -14.773 2.050 243 HA ASN 44 HA ASN 44 22.713 -12.160 0.941 244 HB2 ASN 44 HB2 ASN 44 24.410 -13.427 2.346 245 HB3 ASN 44 HB3 ASN 44 24.670 -14.471 0.956 246 HD21 ASN 44 HD21 ASN 44 26.543 -12.720 2.370 247 HD22 ASN 44 HD22 ASN 44 27.160 -11.639 1.175 248 H LEU 45 H LEU 45 22.535 -11.526 -1.061 249 HA LEU 45 HA LEU 45 21.767 -13.354 -3.085 250 HB2 LEU 45 HB2 LEU 45 22.230 -10.388 -3.130 251 HB3 LEU 45 HB3 LEU 45 21.835 -11.285 -4.580 252 HG LEU 45 HG LEU 45 20.058 -11.172 -2.133 253 HD11 LEU 45 HD11 LEU 45 18.658 -9.700 -3.517 254 HD12 LEU 45 HD12 LEU 45 19.918 -9.665 -4.743 255 HD13 LEU 45 HD13 LEU 45 20.219 -8.964 -3.146 256 HD21 LEU 45 HD21 LEU 45 18.386 -12.148 -3.581 257 HD22 LEU 45 HD22 LEU 45 19.827 -13.178 -3.643 258 HD23 LEU 45 HD23 LEU 45 19.480 -12.064 -4.951 259 H ILE 46 H ILE 46 24.799 -12.122 -2.117 260 HA ILE 46 HA ILE 46 26.131 -12.470 -4.649 261 HB ILE 46 HB ILE 46 27.347 -12.276 -1.850 262 HG12 ILE 46 HG12 ILE 46 25.929 -10.328 -2.316 263 HG13 ILE 46 HG11 ILE 46 27.628 -9.890 -2.211 264 HG21 ILE 46 HG21 ILE 46 29.006 -13.039 -3.455 265 HG22 ILE 46 HG22 ILE 46 29.310 -11.327 -3.045 266 HG23 ILE 46 HG23 ILE 46 28.536 -11.739 -4.559 267 HD11 ILE 46 HD11 ILE 46 26.482 -8.693 -3.979 268 HD12 ILE 46 HD12 ILE 46 26.030 -10.226 -4.735 269 HD13 ILE 46 HD13 ILE 46 27.728 -9.749 -4.652 270 H GLN 47 H GLN 47 24.856 -14.512 -2.395 271 HA GLN 47 HA GLN 47 26.713 -16.690 -2.881 272 HB2 GLN 47 HB2 GLN 47 24.256 -16.521 -1.167 273 HB3 GLN 47 HB3 GLN 47 25.228 -17.984 -1.327 274 HG2 GLN 47 HG2 GLN 47 26.237 -15.332 -0.312 275 HG3 GLN 47 HG3 GLN 47 25.771 -16.695 0.708 276 HE21 GLN 47 HE21 GLN 47 28.128 -15.530 -1.638 277 HE22 GLN 47 HE22 GLN 47 29.324 -16.708 -1.238 278 H ALA 48 H ALA 48 24.180 -15.286 -4.334 279 HA ALA 48 HA ALA 48 23.351 -17.706 -5.754 280 HB1 ALA 48 HB1 ALA 48 21.403 -16.330 -6.495 281 HB2 ALA 48 HB2 ALA 48 21.990 -14.998 -5.500 282 HB3 ALA 48 HB3 ALA 48 21.453 -16.495 -4.740 283 H GLY 49 H GLY 49 22.744 -16.721 -8.203 284 HA2 GLY 49 HA2 GLY 49 25.335 -15.851 -9.114 285 HA3 GLY 49 HA3 GLY 49 23.925 -16.157 -10.126 286 H LEU 50 H LEU 50 25.506 -13.829 -8.075 287 HA LEU 50 HA LEU 50 24.239 -11.719 -9.585 288 HB2 LEU 50 HB2 LEU 50 23.024 -11.780 -7.525 289 HB3 LEU 50 HB3 LEU 50 24.496 -11.915 -6.583 290 HG LEU 50 HG LEU 50 25.140 -9.666 -7.366 291 HD11 LEU 50 HD11 LEU 50 22.305 -9.546 -8.385 292 HD12 LEU 50 HD12 LEU 50 23.782 -9.506 -9.351 293 HD13 LEU 50 HD13 LEU 50 23.409 -8.173 -8.260 294 HD21 LEU 50 HD21 LEU 50 22.527 -9.732 -5.882 295 HD22 LEU 50 HD22 LEU 50 23.749 -8.445 -5.825 296 HD23 LEU 50 HD23 LEU 50 24.109 -10.039 -5.173 297 H ASP 51 H ASP 51 25.918 -11.113 -10.686 298 HA ASP 51 HA ASP 51 28.519 -10.793 -9.464 299 HB2 ASP 51 HB2 ASP 51 29.185 -10.121 -11.825 300 HB3 ASP 51 HB3 ASP 51 28.575 -11.760 -11.670 301 H 4HJ 52 H 4HJ 52 29.290 -8.469 -11.042 302 HA 4HJ 52 HA 4HJ 52 27.889 -6.636 -9.337 303 HAA 4HJ 52 HAA 4HJ 52 30.039 -9.860 -8.221 304 HB3 4HJ 52 HB3 4HJ 52 29.841 -5.080 -9.971 305 HB2 4HJ 52 HB2 4HJ 52 30.201 -6.464 -8.953 306 HZ1 4HJ 52 HZ1 4HJ 52 29.660 -10.665 -5.967 307 HZ2 4HJ 52 HZ2 4HJ 52 31.398 -7.873 -8.632 308 HZ 4HJ 52 HZ 4HJ 52 31.122 -8.997 -3.124 309 HJ2 4HJ 52 HJ2 4HJ 52 31.894 -2.781 -11.820 310 HJ3 4HJ 52 HJ3 4HJ 52 30.777 -3.373 -10.603 311 HL12 4HJ 52 HL12 4HJ 52 33.073 -4.656 -9.105 312 HL11 4HJ 52 HL11 4HJ 52 31.769 -3.881 -8.263 313 HL13 4HJ 52 HL13 4HJ 52 33.393 -3.380 -7.868 314 HL22 4HJ 52 HL22 4HJ 52 31.487 -0.867 -10.120 315 HL21 4HJ 52 HL21 4HJ 52 32.310 -0.889 -8.519 316 HL23 4HJ 52 HL23 4HJ 52 30.916 -1.866 -8.823 317 HM 4HJ 52 HM 4HJ 52 34.717 -0.761 -11.303 318 HN 4HJ 52 HN 4HJ 52 35.546 -2.845 -7.811 319 HL3 4HJ 52 HL3 4HJ 52 34.480 -2.984 -11.014 320 HO2 4HJ 52 HO2 4HJ 52 35.411 -0.356 -6.756 321 HO3 4HJ 52 HO3 4HJ 52 33.819 -0.518 -7.525 322 HP2 4HJ 52 HP2 4HJ 52 33.477 -1.020 -5.338 323 HP3 4HJ 52 HP3 4HJ 52 33.339 -2.551 -6.148 324 HS2 4HJ 52 HS2 4HJ 52 33.120 -2.913 -3.138 325 HS3 4HJ 52 HS3 4HJ 52 34.567 -3.321 -2.168 326 HT3 4HJ 52 HT3 4HJ 52 32.536 -4.957 -2.279 327 HT2 4HJ 52 HT2 4HJ 52 34.138 -5.634 -2.541 328 HY2 4HJ 52 HY2 4HJ 52 32.414 -6.619 -6.753 329 HR 4HJ 52 HR 4HJ 52 35.035 -4.250 -4.714 330 H ILE 53 H ILE 53 27.957 -7.630 -12.511 331 HA ILE 53 HA ILE 53 27.363 -5.044 -13.520 332 HB ILE 53 HB ILE 53 28.479 -7.174 -14.719 333 HG12 ILE 53 HG12 ILE 53 28.525 -4.974 -15.568 334 HG13 ILE 53 HG11 ILE 53 28.071 -6.114 -16.838 335 HG21 ILE 53 HG21 ILE 53 26.502 -8.595 -14.755 336 HG22 ILE 53 HG22 ILE 53 26.966 -8.161 -16.401 337 HG23 ILE 53 HG23 ILE 53 25.602 -7.355 -15.627 338 HD11 ILE 53 HD11 ILE 53 26.222 -4.263 -15.334 339 HD12 ILE 53 HD12 ILE 53 25.709 -5.424 -16.533 340 HD13 ILE 53 HD13 ILE 53 26.733 -4.046 -17.016 341 H ARG 54 H ARG 54 25.691 -7.949 -12.636 342 HA ARG 54 HA ARG 54 23.045 -7.016 -13.187 343 HB2 ARG 54 HB2 ARG 54 24.186 -9.052 -11.325 344 HB3 ARG 54 HB3 ARG 54 22.529 -8.523 -11.084 345 HG2 ARG 54 HG2 ARG 54 22.529 -10.542 -12.343 346 HG3 ARG 54 HG3 ARG 54 22.034 -9.227 -13.398 347 HD2 ARG 54 HD2 ARG 54 24.338 -9.148 -14.297 348 HD3 ARG 54 HD3 ARG 54 24.729 -10.551 -13.285 349 HE ARG 54 HE ARG 54 22.427 -10.830 -15.003 350 HH11 ARG 54 HH11 ARG 54 25.871 -11.612 -14.600 351 HH12 ARG 54 HH12 ARG 54 25.892 -12.754 -15.836 352 HH21 ARG 54 HH21 ARG 54 22.406 -12.317 -16.589 353 HH22 ARG 54 HH22 ARG 54 23.794 -13.225 -17.056 354 H LEU 55 H LEU 55 25.185 -6.759 -10.443 355 HA LEU 55 HA LEU 55 23.327 -5.469 -8.777 356 HB2 LEU 55 HB2 LEU 55 25.557 -6.743 -8.275 357 HB3 LEU 55 HB3 LEU 55 26.286 -5.166 -8.459 358 HG LEU 55 HG LEU 55 24.082 -5.700 -6.468 359 HD11 LEU 55 HD11 LEU 55 25.911 -7.215 -6.008 360 HD12 LEU 55 HD12 LEU 55 25.859 -5.935 -4.792 361 HD13 LEU 55 HD13 LEU 55 27.057 -5.883 -6.082 362 HD21 LEU 55 HD21 LEU 55 24.522 -3.341 -7.006 363 HD22 LEU 55 HD22 LEU 55 26.225 -3.581 -6.598 364 HD23 LEU 55 HD23 LEU 55 24.988 -3.735 -5.350 365 H MET 56 H MET 56 25.959 -4.121 -10.880 366 HA MET 56 HA MET 56 25.379 -1.443 -10.163 367 HB2 MET 56 HB2 MET 56 26.667 -2.474 -12.707 368 HB3 MET 56 HB3 MET 56 26.543 -0.783 -12.288 369 HG2 MET 56 HG2 MET 56 28.243 -2.898 -10.943 370 HG3 MET 56 HG3 MET 56 28.774 -1.481 -11.844 371 HE1 MET 56 HE1 MET 56 26.535 -2.439 -8.698 372 HE2 MET 56 HE2 MET 56 27.546 -1.718 -7.454 373 HE3 MET 56 HE3 MET 56 28.182 -3.017 -8.461 374 H ARG 57 H ARG 57 24.056 -3.585 -12.557 375 HA ARG 57 HA ARG 57 22.422 -1.803 -14.118 376 HB2 ARG 57 HB2 ARG 57 22.938 -4.274 -14.411 377 HB3 ARG 57 HB3 ARG 57 21.613 -4.493 -13.264 378 HG2 ARG 57 HG2 ARG 57 20.406 -2.782 -14.823 379 HG3 ARG 57 HG3 ARG 57 21.572 -3.379 -16.010 380 HD2 ARG 57 HD2 ARG 57 19.929 -4.937 -14.257 381 HD3 ARG 57 HD3 ARG 57 19.433 -4.526 -15.925 382 HE ARG 57 HE ARG 57 21.743 -5.727 -16.398 383 HH11 ARG 57 HH11 ARG 57 19.331 -6.888 -14.025 384 HH12 ARG 57 HH12 ARG 57 19.711 -8.530 -14.308 385 HH21 ARG 57 HH21 ARG 57 22.164 -8.083 -16.741 386 HH22 ARG 57 HH22 ARG 57 21.224 -9.192 -15.847 387 H TRP 58 H TRP 58 21.896 -3.387 -11.075 388 HA TRP 58 HA TRP 58 19.197 -2.426 -10.729 389 HB2 TRP 58 HB2 TRP 58 21.148 -3.338 -8.604 390 HB3 TRP 58 HB3 TRP 58 19.407 -3.088 -8.417 391 HD1 TRP 58 HD1 TRP 58 21.409 -5.904 -8.467 392 HE1 TRP 58 HE1 TRP 58 20.416 -7.919 -9.717 393 HE3 TRP 58 HE3 TRP 58 17.713 -3.523 -11.164 394 HZ2 TRP 58 HZ2 TRP 58 18.395 -8.431 -11.579 395 HZ3 TRP 58 HZ3 TRP 58 16.316 -4.869 -12.638 396 HH2 TRP 58 HH2 TRP 58 16.637 -7.274 -12.841 397 H LEU 59 H LEU 59 22.202 -1.094 -9.518 398 HA LEU 59 HA LEU 59 21.042 1.199 -8.363 399 HB2 LEU 59 HB2 LEU 59 23.713 0.749 -9.621 400 HB3 LEU 59 HB3 LEU 59 23.241 2.345 -9.091 401 HG LEU 59 HG LEU 59 24.634 1.249 -7.494 402 HD11 LEU 59 HD11 LEU 59 22.929 2.841 -6.771 403 HD12 LEU 59 HD12 LEU 59 23.352 1.661 -5.545 404 HD13 LEU 59 HD13 LEU 59 21.828 1.494 -6.455 405 HD21 LEU 59 HD21 LEU 59 23.900 -0.741 -6.291 406 HD22 LEU 59 HD22 LEU 59 24.018 -1.015 -8.055 407 HD23 LEU 59 HD23 LEU 59 22.448 -0.783 -7.322 408 H HIS 60 H HIS 60 22.345 0.669 -11.504 409 HA HIS 60 HA HIS 60 21.944 3.045 -12.765 410 HB2 HIS 60 HB2 HIS 60 23.164 1.328 -13.747 411 HB3 HIS 60 HB3 HIS 60 21.845 0.198 -13.598 412 HD1 HIS 60 HD1 HIS 60 20.643 -0.237 -15.779 413 HD2 HIS 60 HD2 HIS 60 22.365 3.525 -15.667 414 HE1 HIS 60 HE1 HIS 60 20.064 0.849 -17.989 415 H TRP 61 H TRP 61 19.540 0.642 -11.944 416 HA TRP 61 HA TRP 61 17.569 1.785 -13.681 417 HB2 TRP 61 HB2 TRP 61 17.783 -0.640 -13.247 418 HB3 TRP 61 HB3 TRP 61 17.360 -0.340 -11.573 419 HD1 TRP 61 HD1 TRP 61 15.693 0.569 -14.982 420 HE1 TRP 61 HE1 TRP 61 13.179 0.053 -14.778 421 HE3 TRP 61 HE3 TRP 61 15.633 -1.128 -10.211 422 HZ2 TRP 61 HZ2 TRP 61 11.403 -0.974 -12.825 423 HZ3 TRP 61 HZ3 TRP 61 13.496 -1.872 -9.231 424 HH2 TRP 61 HH2 TRP 61 11.431 -1.791 -10.521 425 H PHE 62 H PHE 62 17.717 1.259 -10.123 426 HA PHE 62 HA PHE 62 15.601 3.121 -9.859 427 HB2 PHE 62 HB2 PHE 62 16.064 2.757 -7.240 428 HB3 PHE 62 HB3 PHE 62 15.120 1.654 -8.221 429 HD1 PHE 62 HD2 PHE 62 18.548 2.226 -6.875 430 HD2 PHE 62 HD1 PHE 62 15.689 -0.514 -8.393 431 HE1 PHE 62 HE2 PHE 62 20.041 0.336 -6.309 432 HE2 PHE 62 HE1 PHE 62 17.160 -2.382 -7.857 433 HZ PHE 62 HZ PHE 62 19.317 -1.992 -6.877 434 H ARG 63 H ARG 63 18.987 3.549 -9.633 435 HA ARG 63 HA ARG 63 18.972 5.891 -8.065 436 HB2 ARG 63 HB2 ARG 63 21.116 4.835 -8.597 437 HB3 ARG 63 HB3 ARG 63 20.862 5.091 -10.313 438 HG2 ARG 63 HG2 ARG 63 22.472 6.680 -9.524 439 HG3 ARG 63 HG3 ARG 63 20.984 7.538 -9.917 440 HD2 ARG 63 HD2 ARG 63 21.341 8.492 -7.860 441 HD3 ARG 63 HD3 ARG 63 20.531 7.004 -7.362 442 HE ARG 63 HE ARG 63 22.891 6.091 -7.138 443 HH11 ARG 63 HH11 ARG 63 22.134 9.553 -6.486 444 HH12 ARG 63 HH12 ARG 63 23.260 9.586 -5.171 445 HH21 ARG 63 HH21 ARG 63 24.433 6.395 -5.294 446 HH22 ARG 63 HH22 ARG 63 24.442 7.948 -4.537 447 H LYS 64 H LYS 64 18.059 5.284 -11.343 448 HA LYS 64 HA LYS 64 17.990 8.069 -12.070 449 HB2 LYS 64 HB2 LYS 64 16.978 5.642 -13.509 450 HB3 LYS 64 HB3 LYS 64 16.919 7.281 -14.145 451 HG2 LYS 64 HG2 LYS 64 19.493 7.234 -13.623 452 HG3 LYS 64 HG3 LYS 64 19.257 5.488 -13.734 453 HD2 LYS 64 HD2 LYS 64 18.412 7.495 -15.747 454 HD3 LYS 64 HD3 LYS 64 19.908 6.558 -15.880 455 HE2 LYS 64 HE2 LYS 64 17.096 5.402 -15.812 456 HE3 LYS 64 HE3 LYS 64 18.045 5.629 -17.277 457 HZ1 LYS 64 HZ1 LYS 64 18.848 3.893 -14.996 458 HZ2 LYS 64 HZ2 LYS 64 19.653 4.020 -16.470 459 HZ3 LYS 64 HZ3 LYS 64 18.107 3.346 -16.403 460 H ASN 65 H ASN 65 15.956 5.929 -10.394 461 HA ASN 65 HA ASN 65 13.576 7.461 -11.058 462 HB2 ASN 65 HB2 ASN 65 13.804 5.028 -9.235 463 HB3 ASN 65 HB3 ASN 65 12.307 5.807 -9.719 464 HD21 ASN 65 HD21 ASN 65 12.694 3.053 -10.106 465 HD22 ASN 65 HD22 ASN 65 12.840 2.786 -11.782 466 H GLY 66 H GLY 66 16.103 7.842 -9.135 467 HA2 GLY 66 HA2 GLY 66 16.046 9.887 -7.792 468 HA3 GLY 66 HA3 GLY 66 14.488 9.359 -7.188 469 H TYR 67 H TYR 67 16.132 6.594 -7.165 470 HA TYR 67 HA TYR 67 16.565 6.782 -4.323 471 HB2 TYR 67 HB2 TYR 67 17.053 4.485 -6.219 472 HB3 TYR 67 HB3 TYR 67 17.167 4.387 -4.465 473 HD1 TYR 67 HD2 TYR 67 14.905 4.932 -7.264 474 HD2 TYR 67 HD1 TYR 67 15.231 4.172 -3.130 475 HE1 TYR 67 HE2 TYR 67 12.471 4.436 -7.179 476 HE2 TYR 67 HE1 TYR 67 12.831 3.675 -3.001 477 HH TYR 67 HH TYR 67 10.979 3.214 -5.820 478 H ARG 68 H ARG 68 18.299 7.630 -3.538 479 HA ARG 68 HA ARG 68 20.717 7.732 -5.124 480 HB2 ARG 68 HB2 ARG 68 20.112 8.938 -2.445 481 HB3 ARG 68 HB3 ARG 68 21.453 9.334 -3.515 482 HG2 ARG 68 HG2 ARG 68 19.924 10.275 -5.146 483 HG3 ARG 68 HG3 ARG 68 18.544 9.808 -4.152 484 HD2 ARG 68 HD2 ARG 68 19.410 11.265 -2.348 485 HD3 ARG 68 HD3 ARG 68 20.700 11.784 -3.430 486 HE ARG 68 HE ARG 68 18.057 12.106 -4.473 487 HH11 ARG 68 HH11 ARG 68 20.674 13.640 -2.609 488 HH12 ARG 68 HH12 ARG 68 20.160 15.215 -2.795 489 HH21 ARG 68 HH21 ARG 68 17.266 14.362 -4.780 490 HH22 ARG 68 HH22 ARG 68 18.138 15.656 -4.086 491 H LEU 69 H LEU 69 21.590 5.673 -4.956 492 HA LEU 69 HA LEU 69 22.451 4.860 -2.229 493 HB2 LEU 69 HB2 LEU 69 21.867 2.979 -4.482 494 HB3 LEU 69 HB3 LEU 69 22.237 2.576 -2.830 495 HG LEU 69 HG LEU 69 19.665 3.808 -3.818 496 HD11 LEU 69 HD11 LEU 69 20.267 1.068 -2.713 497 HD12 LEU 69 HD12 LEU 69 19.872 1.459 -4.384 498 HD13 LEU 69 HD13 LEU 69 18.668 1.683 -3.121 499 HD21 LEU 69 HD21 LEU 69 18.871 3.508 -1.514 500 HD22 LEU 69 HD22 LEU 69 20.201 4.658 -1.621 501 HD23 LEU 69 HD23 LEU 69 20.496 3.018 -1.030 502 H THR 70 H THR 70 24.481 4.549 -1.953 503 HA THR 70 HA THR 70 26.242 4.584 -4.226 504 HB THR 70 HB THR 70 28.000 4.276 -2.296 505 HG1 THR 70 HG1 THR 70 26.901 3.900 -0.400 506 HG21 THR 70 HG21 THR 70 27.704 6.376 -3.526 507 HG22 THR 70 HG22 THR 70 27.974 6.691 -1.812 508 HG23 THR 70 HG23 THR 70 26.347 6.802 -2.482 509 H LEU 71 H LEU 71 27.784 2.824 -4.547 510 HA LEU 71 HA LEU 71 26.309 0.512 -4.826 511 HB2 LEU 71 HB2 LEU 71 29.310 0.660 -5.055 512 HB3 LEU 71 HB3 LEU 71 28.251 -0.604 -5.655 513 HG LEU 71 HG LEU 71 28.793 0.626 -7.565 514 HD11 LEU 71 HD11 LEU 71 26.744 1.687 -8.266 515 HD12 LEU 71 HD12 LEU 71 26.239 1.775 -6.577 516 HD13 LEU 71 HD13 LEU 71 26.420 0.199 -7.356 517 HD21 LEU 71 HD21 LEU 71 28.089 3.104 -6.118 518 HD22 LEU 71 HD22 LEU 71 28.740 2.977 -7.777 519 HD23 LEU 71 HD23 LEU 71 29.759 2.562 -6.374 520 H ARG 72 H ARG 72 28.339 1.559 -2.446 521 HA ARG 72 HA ARG 72 29.459 -0.760 -1.221 522 HB2 ARG 72 HB2 ARG 72 30.247 1.529 -0.770 523 HB3 ARG 72 HB3 ARG 72 28.721 1.897 0.016 524 HG2 ARG 72 HG2 ARG 72 29.289 -0.061 1.567 525 HG3 ARG 72 HG3 ARG 72 30.932 0.115 0.944 526 HD2 ARG 72 HD2 ARG 72 30.731 1.385 2.995 527 HD3 ARG 72 HD3 ARG 72 30.877 2.509 1.644 528 HE ARG 72 HE ARG 72 28.243 2.433 1.840 529 HH11 ARG 72 HH11 ARG 72 30.565 2.675 4.494 530 HH12 ARG 72 HH12 ARG 72 29.465 3.445 5.552 531 HH21 ARG 72 HH21 ARG 72 26.757 3.419 3.228 532 HH22 ARG 72 HH22 ARG 72 27.190 3.890 4.795 533 H GLU 73 H GLU 73 26.379 0.889 -0.791 534 HA GLU 73 HA GLU 73 25.777 -0.154 1.690 535 HB2 GLU 73 HB2 GLU 73 23.607 0.488 -0.260 536 HB3 GLU 73 HB3 GLU 73 23.663 0.750 1.474 537 HG2 GLU 73 HG2 GLU 73 25.183 2.174 -0.613 538 HG3 GLU 73 HG3 GLU 73 23.792 2.848 0.272 539 H LEU 74 H LEU 74 25.230 -1.206 -1.563 540 HA LEU 74 HA LEU 74 23.409 -3.320 -0.876 541 HB2 LEU 74 HB2 LEU 74 24.627 -2.693 -3.563 542 HB3 LEU 74 HB3 LEU 74 23.231 -3.711 -3.259 543 HG LEU 74 HG LEU 74 22.378 -1.423 -2.161 544 HD11 LEU 74 HD11 LEU 74 22.941 0.447 -3.675 545 HD12 LEU 74 HD12 LEU 74 24.277 -0.534 -4.301 546 HD13 LEU 74 HD13 LEU 74 24.233 -0.081 -2.612 547 HD21 LEU 74 HD21 LEU 74 21.158 -2.716 -3.780 548 HD22 LEU 74 HD22 LEU 74 22.166 -2.073 -5.096 549 HD23 LEU 74 HD23 LEU 74 21.116 -0.997 -4.152 550 H TYR 75 H TYR 75 26.734 -2.910 -1.349 551 HA TYR 75 HA TYR 75 27.358 -5.713 -1.788 552 HB2 TYR 75 HB2 TYR 75 28.911 -3.216 -1.406 553 HB3 TYR 75 HB3 TYR 75 29.764 -4.715 -1.186 554 HD1 TYR 75 HD2 TYR 75 28.909 -6.435 -3.256 555 HD2 TYR 75 HD1 TYR 75 29.344 -2.227 -3.347 556 HE1 TYR 75 HE2 TYR 75 29.223 -6.524 -5.724 557 HE2 TYR 75 HE1 TYR 75 29.665 -2.296 -5.792 558 HH TYR 75 HH TYR 75 29.067 -5.108 -7.630 559 H ALA 76 H ALA 76 27.185 -3.454 0.863 560 HA ALA 76 HA ALA 76 28.600 -5.095 2.620 561 HB1 ALA 76 HB1 ALA 76 26.701 -2.840 3.278 562 HB2 ALA 76 HB2 ALA 76 28.433 -2.688 2.988 563 HB3 ALA 76 HB3 ALA 76 27.850 -3.568 4.401 564 H ALA 77 H ALA 77 25.159 -4.567 2.022 565 HA ALA 77 HA ALA 77 24.662 -7.094 3.391 566 HB1 ALA 77 HB1 ALA 77 22.581 -6.236 4.346 567 HB2 ALA 77 HB2 ALA 77 22.901 -4.650 3.646 568 HB3 ALA 77 HB3 ALA 77 23.959 -5.287 4.905 569 HA PRO 78 HA PRO 78 22.791 -7.157 -0.776 570 HB2 PRO 78 HB2 PRO 78 24.033 -9.673 -1.270 571 HB3 PRO 78 HB3 PRO 78 24.480 -8.104 -1.974 572 HG2 PRO 78 HG2 PRO 78 26.091 -9.521 -0.265 573 HG3 PRO 78 HG3 PRO 78 26.184 -7.769 -0.528 574 HD2 PRO 78 HD2 PRO 78 24.886 -9.267 1.700 575 HD3 PRO 78 HD3 PRO 78 25.831 -7.760 1.738 576 H THR 79 H THR 79 20.865 -7.436 0.330 577 HA THR 79 HA THR 79 19.694 -10.061 0.034 578 HB THR 79 HB THR 79 18.546 -9.801 2.282 579 HG1 THR 79 HG1 THR 79 20.561 -7.888 2.775 580 HG21 THR 79 HG21 THR 79 21.558 -9.974 2.528 581 HG22 THR 79 HG22 THR 79 20.478 -11.322 2.172 582 HG23 THR 79 HG23 THR 79 20.395 -10.516 3.738 583 H LEU 80 H LEU 80 17.421 -9.668 -0.513 584 HA LEU 80 HA LEU 80 16.933 -6.991 -1.337 585 HB2 LEU 80 HB2 LEU 80 15.072 -9.328 -1.197 586 HB3 LEU 80 HB3 LEU 80 14.632 -7.761 -1.848 587 HG LEU 80 HG LEU 80 16.799 -9.518 -2.765 588 HD11 LEU 80 HD11 LEU 80 15.358 -9.842 -4.805 589 HD12 LEU 80 HD12 LEU 80 14.237 -8.679 -4.124 590 HD13 LEU 80 HD13 LEU 80 14.436 -10.258 -3.341 591 HD21 LEU 80 HD21 LEU 80 17.412 -7.221 -3.291 592 HD22 LEU 80 HD22 LEU 80 15.806 -6.935 -3.979 593 HD23 LEU 80 HD23 LEU 80 16.914 -8.012 -4.792 594 H ALA 81 H ALA 81 16.221 -8.800 1.323 595 HA ALA 81 HA ALA 81 14.310 -7.222 2.665 596 HB1 ALA 81 HB1 ALA 81 16.663 -8.604 3.973 597 HB2 ALA 81 HB2 ALA 81 15.116 -9.360 3.595 598 HB3 ALA 81 HB3 ALA 81 15.197 -8.065 4.792 599 H ALA 82 H ALA 82 17.875 -6.885 2.773 600 HA ALA 82 HA ALA 82 17.699 -4.411 4.192 601 HB1 ALA 82 HB1 ALA 82 20.111 -4.277 3.954 602 HB2 ALA 82 HB2 ALA 82 20.085 -5.605 2.793 603 HB3 ALA 82 HB3 ALA 82 19.633 -5.895 4.472 604 H TRP 83 H TRP 83 18.116 -5.326 0.796 605 HA TRP 83 HA TRP 83 18.784 -2.747 -0.097 606 HB2 TRP 83 HB2 TRP 83 17.531 -5.040 -1.608 607 HB3 TRP 83 HB3 TRP 83 17.942 -3.518 -2.366 608 HD1 TRP 83 HD1 TRP 83 20.570 -4.518 0.098 609 HE1 TRP 83 HE1 TRP 83 22.601 -5.492 -1.131 610 HE3 TRP 83 HE3 TRP 83 18.509 -5.058 -4.534 611 HZ2 TRP 83 HZ2 TRP 83 23.241 -6.406 -3.733 612 HZ3 TRP 83 HZ3 TRP 83 19.892 -5.996 -6.346 613 HH2 TRP 83 HH2 TRP 83 22.206 -6.652 -5.952 614 H ASN 84 H ASN 84 15.703 -4.146 0.644 615 HA ASN 84 HA ASN 84 14.090 -2.154 -0.617 616 HB2 ASN 84 HB2 ASN 84 13.207 -4.351 0.193 617 HB3 ASN 84 HB3 ASN 84 13.477 -3.823 1.845 618 HD21 ASN 84 HD21 ASN 84 11.314 -4.080 2.338 619 HD22 ASN 84 HD22 ASN 84 10.097 -2.992 1.770 620 H GLN 85 H GLN 85 15.446 -2.508 2.602 621 HA GLN 85 HA GLN 85 14.502 -0.080 3.673 622 HB2 GLN 85 HB2 GLN 85 15.382 -1.915 5.055 623 HB3 GLN 85 HB3 GLN 85 16.970 -1.702 4.340 624 HG2 GLN 85 HG2 GLN 85 17.097 0.537 5.324 625 HG3 GLN 85 HG3 GLN 85 15.519 0.285 6.070 626 HE21 GLN 85 HE21 GLN 85 18.873 -0.623 6.098 627 HE22 GLN 85 HE22 GLN 85 18.821 -1.402 7.648 628 H LEU 86 H LEU 86 17.422 -1.011 1.926 629 HA LEU 86 HA LEU 86 18.802 1.364 2.030 630 HB2 LEU 86 HB2 LEU 86 18.719 -0.667 -0.173 631 HB3 LEU 86 HB3 LEU 86 19.815 0.693 -0.167 632 HG LEU 86 HG LEU 86 19.749 -1.482 1.911 633 HD11 LEU 86 HD11 LEU 86 21.855 -2.180 0.903 634 HD12 LEU 86 HD12 LEU 86 21.748 -0.846 -0.238 635 HD13 LEU 86 HD13 LEU 86 20.605 -2.180 -0.351 636 HD21 LEU 86 HD21 LEU 86 21.872 -0.476 2.620 637 HD22 LEU 86 HD22 LEU 86 20.501 0.622 2.834 638 HD23 LEU 86 HD23 LEU 86 21.596 0.812 1.448 639 H MET 87 H MET 87 16.617 0.206 -0.484 640 HA MET 87 HA MET 87 16.731 2.468 -2.067 641 HB2 MET 87 HB2 MET 87 14.665 0.303 -1.839 642 HB3 MET 87 HB3 MET 87 14.526 1.617 -3.004 643 HG2 MET 87 HG2 MET 87 16.567 0.981 -4.076 644 HG3 MET 87 HG3 MET 87 16.915 -0.199 -2.820 645 HE1 MET 87 HE1 MET 87 13.355 0.387 -4.420 646 HE2 MET 87 HE2 MET 87 13.427 -0.728 -5.788 647 HE3 MET 87 HE3 MET 87 14.442 0.721 -5.780 648 H LEU 88 H LEU 88 14.180 1.689 0.314 649 HA LEU 88 HA LEU 88 13.205 4.266 -0.294 650 HB2 LEU 88 HB2 LEU 88 11.331 3.781 1.283 651 HB3 LEU 88 HB3 LEU 88 11.488 2.942 -0.243 652 HG LEU 88 HG LEU 88 12.494 1.043 1.062 653 HD11 LEU 88 HD11 LEU 88 12.999 2.343 3.020 654 HD12 LEU 88 HD12 LEU 88 11.995 0.932 3.416 655 HD13 LEU 88 HD13 LEU 88 11.283 2.560 3.351 656 HD21 LEU 88 HD21 LEU 88 9.680 1.895 1.537 657 HD22 LEU 88 HD22 LEU 88 10.288 0.209 1.555 658 HD23 LEU 88 HD23 LEU 88 10.350 1.203 0.072 659 H SER 89 H SER 89 15.106 3.155 2.326 660 HA SER 89 HA SER 89 14.564 5.727 3.697 661 HB2 SER 89 HB2 SER 89 16.038 3.467 4.536 662 HB3 SER 89 HB3 SER 89 15.590 4.929 5.462 663 HG SER 89 HG SER 89 13.340 4.040 4.498 664 H ARG 90 H ARG 90 17.215 3.925 2.119 665 HA ARG 90 HA ARG 90 19.102 5.784 3.258 666 HB2 ARG 90 HB2 ARG 90 19.914 3.517 3.276 667 HB3 ARG 90 HB3 ARG 90 19.220 3.211 1.699 668 HG2 ARG 90 HG2 ARG 90 21.608 3.170 1.625 669 HG3 ARG 90 HG3 ARG 90 20.913 4.470 0.656 670 HD2 ARG 90 HD2 ARG 90 21.491 6.088 2.439 671 HD3 ARG 90 HD3 ARG 90 22.239 4.782 3.365 672 HE ARG 90 HE ARG 90 24.000 4.714 1.894 673 HH11 ARG 90 HH11 ARG 90 21.553 7.086 0.723 674 HH12 ARG 90 HH12 ARG 90 22.591 7.726 -0.437 675 HH21 ARG 90 HH21 ARG 90 25.390 5.744 0.133 676 HH22 ARG 90 HH22 ARG 90 24.671 7.016 -0.759 677 H SER 91 H SER 91 16.832 5.972 1.454 678 HA SER 91 HA SER 91 17.613 6.803 -1.107 679 HB2 SER 91 HB2 SER 91 15.411 8.129 -1.075 680 HB3 SER 91 HB3 SER 91 15.303 6.387 -0.831 681 HG SER 91 HG SER 91 14.277 6.892 0.954 682 HA PRO 92 HA PRO 92 18.302 11.310 0.853 683 HB2 PRO 92 HB2 PRO 92 19.288 10.227 3.461 684 HB3 PRO 92 HB3 PRO 92 18.536 11.804 3.111 685 HG2 PRO 92 HG2 PRO 92 17.017 10.107 4.220 686 HG3 PRO 92 HG3 PRO 92 16.517 10.894 2.678 687 HD2 PRO 92 HD2 PRO 92 17.609 8.103 3.002 688 HD3 PRO 92 HD3 PRO 92 16.155 8.629 2.183 689 H GLU 93 H GLU 93 20.046 12.033 0.238 690 HA GLU 93 HA GLU 93 22.685 11.388 0.886 691 HB2 GLU 93 HB2 GLU 93 22.139 9.375 -0.586 692 HB3 GLU 93 HB3 GLU 93 21.827 10.501 -1.891 693 HG2 GLU 93 HG2 GLU 93 24.176 11.225 -1.831 694 HG3 GLU 93 HG3 GLU 93 24.488 10.078 -0.529 Start of MODEL 17 1 H ASP 14 HT1 ASP 14 9.673 7.358 1.986 2 HA ASP 14 HA ASP 14 8.098 8.204 0.417 3 HB2 ASP 14 HB2 ASP 14 8.899 10.498 0.238 4 HB3 ASP 14 HB3 ASP 14 10.431 9.945 -0.437 5 H ASN 15 H ASN 15 7.892 6.981 -1.583 6 HA ASN 15 HA ASN 15 10.168 5.955 -2.952 7 HB2 ASN 15 HB2 ASN 15 10.391 4.646 -0.877 8 HB3 ASN 15 HB3 ASN 15 8.758 4.027 -1.103 9 HD21 ASN 15 HD21 ASN 15 9.469 1.905 -1.228 10 HD22 ASN 15 HD22 ASN 15 10.375 1.333 -2.571 11 H ARG 16 H ARG 16 9.531 5.581 -4.917 12 HA ARG 16 HA ARG 16 6.755 4.903 -5.570 13 HB2 ARG 16 HB2 ARG 16 9.126 5.154 -7.441 14 HB3 ARG 16 HB3 ARG 16 7.422 5.229 -7.865 15 HG2 ARG 16 HG2 ARG 16 8.877 7.223 -6.178 16 HG3 ARG 16 HG3 ARG 16 8.540 7.430 -7.905 17 HD2 ARG 16 HD2 ARG 16 6.173 7.474 -7.466 18 HD3 ARG 16 HD3 ARG 16 6.430 7.038 -5.775 19 HE ARG 16 HE ARG 16 7.109 9.589 -7.033 20 HH11 ARG 16 HH11 ARG 16 6.346 7.695 -4.104 21 HH12 ARG 16 HH12 ARG 16 6.766 9.016 -3.072 22 HH21 ARG 16 HH21 ARG 16 7.565 11.379 -5.435 23 HH22 ARG 16 HH22 ARG 16 7.412 10.966 -3.781 24 H HIS 17 H HIS 17 10.013 3.765 -5.706 25 HA HIS 17 HA HIS 17 9.863 1.561 -7.259 26 HB2 HIS 17 HB2 HIS 17 11.844 2.797 -5.688 27 HB3 HIS 17 HB3 HIS 17 11.943 1.051 -5.483 28 HD1 HIS 17 HD1 HIS 17 11.660 3.494 -8.403 29 HD2 HIS 17 HD2 HIS 17 13.261 -0.198 -7.450 30 HE1 HIS 17 HE1 HIS 17 13.097 2.821 -10.371 31 H ALA 18 H ALA 18 8.610 1.581 -4.151 32 HA ALA 18 HA ALA 18 9.209 -1.026 -3.374 33 HB1 ALA 18 HB1 ALA 18 6.690 0.503 -2.781 34 HB2 ALA 18 HB2 ALA 18 8.247 0.545 -1.917 35 HB3 ALA 18 HB3 ALA 18 7.293 -0.940 -1.927 36 H ALA 19 H ALA 19 7.030 0.113 -5.825 37 HA ALA 19 HA ALA 19 5.730 -2.487 -6.220 38 HB1 ALA 19 HB1 ALA 19 5.665 0.036 -7.900 39 HB2 ALA 19 HB2 ALA 19 4.469 -0.403 -6.681 40 HB3 ALA 19 HB3 ALA 19 4.651 -1.386 -8.134 41 H ASP 20 H ASP 20 8.180 -0.434 -7.740 42 HA ASP 20 HA ASP 20 8.913 -2.061 -9.889 43 HB2 ASP 20 HB2 ASP 20 10.663 -0.211 -8.238 44 HB3 ASP 20 HB3 ASP 20 11.039 -0.819 -9.838 45 H TYR 21 H TYR 21 9.752 -2.142 -6.559 46 HA TYR 21 HA TYR 21 11.749 -4.062 -6.244 47 HB2 TYR 21 HB2 TYR 21 10.820 -2.996 -4.299 48 HB3 TYR 21 HB3 TYR 21 9.205 -3.576 -4.680 49 HD1 TYR 21 HD2 TYR 21 12.602 -4.907 -4.046 50 HD2 TYR 21 HD1 TYR 21 8.426 -5.411 -3.514 51 HE1 TYR 21 HE2 TYR 21 13.034 -6.887 -2.816 52 HE2 TYR 21 HE1 TYR 21 8.823 -7.472 -2.237 53 HH TYR 21 HH TYR 21 11.853 -8.490 -1.059 54 H GLN 22 H GLN 22 8.369 -4.630 -7.077 55 HA GLN 22 HA GLN 22 8.580 -7.429 -6.730 56 HB2 GLN 22 HB2 GLN 22 6.443 -6.088 -6.647 57 HB3 GLN 22 HB3 GLN 22 6.553 -5.904 -8.388 58 HG2 GLN 22 HG2 GLN 22 6.456 -8.590 -7.057 59 HG3 GLN 22 HG3 GLN 22 5.020 -7.654 -7.475 60 HE21 GLN 22 HE21 GLN 22 6.432 -10.215 -8.453 61 HE22 GLN 22 HE22 GLN 22 6.337 -10.079 -10.168 62 H GLN 23 H GLN 23 8.767 -5.281 -9.542 63 HA GLN 23 HA GLN 23 9.213 -7.324 -11.435 64 HB2 GLN 23 HB2 GLN 23 9.902 -4.387 -11.447 65 HB3 GLN 23 HB3 GLN 23 10.199 -5.445 -12.818 66 HG2 GLN 23 HG2 GLN 23 7.497 -4.931 -11.589 67 HG3 GLN 23 HG3 GLN 23 8.123 -4.132 -13.032 68 HE21 GLN 23 HE21 GLN 23 6.811 -7.112 -11.730 69 HE22 GLN 23 HE22 GLN 23 6.631 -7.868 -13.266 70 H LEU 24 H LEU 24 11.288 -5.415 -9.406 71 HA LEU 24 HA LEU 24 13.817 -6.177 -10.308 72 HB2 LEU 24 HB2 LEU 24 13.424 -4.398 -8.648 73 HB3 LEU 24 HB3 LEU 24 12.877 -5.592 -7.495 74 HG LEU 24 HG LEU 24 15.147 -6.563 -7.438 75 HD11 LEU 24 HD11 LEU 24 15.872 -4.205 -9.158 76 HD12 LEU 24 HD12 LEU 24 15.933 -5.905 -9.626 77 HD13 LEU 24 HD13 LEU 24 17.011 -5.296 -8.371 78 HD21 LEU 24 HD21 LEU 24 14.452 -4.939 -5.766 79 HD22 LEU 24 HD22 LEU 24 14.975 -3.618 -6.812 80 HD23 LEU 24 HD23 LEU 24 16.162 -4.743 -6.152 81 H ARG 25 H ARG 25 12.003 -7.591 -7.559 82 HA ARG 25 HA ARG 25 13.911 -9.594 -7.147 83 HB2 ARG 25 HB2 ARG 25 12.259 -10.708 -5.665 84 HB3 ARG 25 HB3 ARG 25 12.586 -9.024 -5.301 85 HG2 ARG 25 HG2 ARG 25 10.516 -8.345 -6.165 86 HG3 ARG 25 HG3 ARG 25 10.218 -9.939 -6.873 87 HD2 ARG 25 HD2 ARG 25 10.487 -9.379 -3.915 88 HD3 ARG 25 HD3 ARG 25 8.951 -9.596 -4.762 89 HE ARG 25 HE ARG 25 9.804 -11.787 -5.424 90 HH11 ARG 25 HH11 ARG 25 11.019 -10.304 -2.340 91 HH12 ARG 25 HH12 ARG 25 11.404 -11.774 -1.630 92 HH21 ARG 25 HH21 ARG 25 10.332 -13.794 -4.376 93 HH22 ARG 25 HH22 ARG 25 11.029 -13.881 -2.818 94 H GLU 26 H GLU 26 10.822 -9.835 -8.841 95 HA GLU 26 HA GLU 26 11.202 -12.573 -9.366 96 HB2 GLU 26 HB2 GLU 26 9.253 -10.541 -10.230 97 HB3 GLU 26 HB3 GLU 26 9.419 -11.991 -11.215 98 HG2 GLU 26 HG2 GLU 26 7.678 -12.246 -9.610 99 HG3 GLU 26 HG3 GLU 26 8.962 -13.391 -9.281 100 H ARG 27 H ARG 27 12.416 -9.726 -10.990 101 HA ARG 27 HA ARG 27 13.212 -11.165 -13.350 102 HB2 ARG 27 HB2 ARG 27 12.812 -8.792 -13.409 103 HB3 ARG 27 HB3 ARG 27 14.114 -8.565 -12.238 104 HG2 ARG 27 HG2 ARG 27 14.787 -8.157 -14.421 105 HG3 ARG 27 HG3 ARG 27 15.648 -9.544 -13.659 106 HD2 ARG 27 HD2 ARG 27 14.063 -11.024 -15.030 107 HD3 ARG 27 HD3 ARG 27 13.582 -9.558 -15.892 108 HE ARG 27 HE ARG 27 16.376 -9.802 -15.904 109 HH11 ARG 27 HH11 ARG 27 13.648 -11.601 -17.298 110 HH12 ARG 27 HH12 ARG 27 14.460 -11.998 -18.724 111 HH21 ARG 27 HH21 ARG 27 17.487 -10.372 -17.746 112 HH22 ARG 27 HH22 ARG 27 16.776 -11.275 -19.021 113 H LEU 28 H LEU 28 14.520 -10.556 -10.177 114 HA LEU 28 HA LEU 28 17.208 -11.077 -10.791 115 HB2 LEU 28 HB2 LEU 28 15.749 -11.676 -8.221 116 HB3 LEU 28 HB3 LEU 28 17.488 -11.608 -8.419 117 HG LEU 28 HG LEU 28 15.537 -9.340 -8.582 118 HD11 LEU 28 HD11 LEU 28 16.093 -10.021 -6.353 119 HD12 LEU 28 HD12 LEU 28 16.825 -8.453 -6.726 120 HD13 LEU 28 HD13 LEU 28 17.815 -9.918 -6.725 121 HD21 LEU 28 HD21 LEU 28 17.144 -9.093 -10.307 122 HD22 LEU 28 HD22 LEU 28 18.481 -9.361 -9.188 123 HD23 LEU 28 HD23 LEU 28 17.474 -7.906 -9.046 124 H ILE 29 H ILE 29 14.685 -13.118 -9.564 125 HA ILE 29 HA ILE 29 16.029 -15.514 -9.451 126 HB ILE 29 HB ILE 29 13.161 -14.730 -9.714 127 HG12 ILE 29 HG12 ILE 29 12.934 -15.769 -7.560 128 HG13 ILE 29 HG11 ILE 29 14.524 -16.499 -7.688 129 HG21 ILE 29 HG21 ILE 29 14.033 -17.587 -9.824 130 HG22 ILE 29 HG22 ILE 29 13.277 -16.675 -11.138 131 HG23 ILE 29 HG23 ILE 29 12.373 -16.995 -9.632 132 HD11 ILE 29 HD11 ILE 29 13.975 -13.547 -7.489 133 HD12 ILE 29 HD12 ILE 29 15.551 -14.364 -7.565 134 HD13 ILE 29 HD13 ILE 29 14.500 -14.606 -6.163 135 H GLN 30 H GLN 30 14.761 -13.944 -12.255 136 HA GLN 30 HA GLN 30 14.817 -16.165 -14.040 137 HB2 GLN 30 HB2 GLN 30 15.104 -13.244 -14.759 138 HB3 GLN 30 HB3 GLN 30 14.497 -14.542 -15.783 139 HG2 GLN 30 HG2 GLN 30 12.584 -14.805 -14.187 140 HG3 GLN 30 HG3 GLN 30 13.272 -13.424 -13.327 141 HE21 GLN 30 HE21 GLN 30 11.359 -12.357 -13.595 142 HE22 GLN 30 HE22 GLN 30 10.914 -11.571 -15.077 143 H GLU 31 H GLU 31 17.075 -13.581 -13.222 144 HA GLU 31 HA GLU 31 19.052 -14.593 -15.074 145 HB2 GLU 31 HB2 GLU 31 19.210 -12.247 -13.172 146 HB3 GLU 31 HB3 GLU 31 20.390 -12.638 -14.425 147 HG2 GLU 31 HG2 GLU 31 18.532 -12.483 -16.083 148 HG3 GLU 31 HG3 GLU 31 17.548 -11.902 -14.734 149 H LEU 32 H LEU 32 18.275 -14.854 -11.749 150 HA LEU 32 HA LEU 32 20.844 -15.716 -10.994 151 HB2 LEU 32 HB2 LEU 32 18.202 -15.856 -9.481 152 HB3 LEU 32 HB3 LEU 32 19.780 -16.228 -8.807 153 HG LEU 32 HG LEU 32 18.688 -13.691 -9.805 154 HD11 LEU 32 HD11 LEU 32 19.204 -12.837 -7.538 155 HD12 LEU 32 HD12 LEU 32 19.666 -14.480 -7.081 156 HD13 LEU 32 HD13 LEU 32 18.010 -14.130 -7.587 157 HD21 LEU 32 HD21 LEU 32 21.565 -14.188 -9.115 158 HD22 LEU 32 HD22 LEU 32 20.820 -12.582 -9.177 159 HD23 LEU 32 HD23 LEU 32 20.843 -13.581 -10.620 160 H ASN 33 H ASN 33 18.025 -17.076 -12.309 161 HA ASN 33 HA ASN 33 17.546 -18.952 -13.383 162 HB2 ASN 33 HB2 ASN 33 19.902 -18.676 -14.270 163 HB3 ASN 33 HB3 ASN 33 20.450 -19.772 -13.014 164 HD21 ASN 33 HD21 ASN 33 17.463 -20.139 -14.873 165 HD22 ASN 33 HD22 ASN 33 17.973 -21.585 -15.682 166 H LEU 34 H LEU 34 17.409 -18.780 -10.539 167 HA LEU 34 HA LEU 34 17.015 -21.589 -10.050 168 HB2 LEU 34 HB2 LEU 34 17.789 -21.211 -7.654 169 HB3 LEU 34 HB3 LEU 34 18.987 -21.376 -8.922 170 HG LEU 34 HG LEU 34 19.472 -18.996 -8.843 171 HD11 LEU 34 HD11 LEU 34 18.486 -17.535 -7.183 172 HD12 LEU 34 HD12 LEU 34 17.416 -18.848 -6.664 173 HD13 LEU 34 HD13 LEU 34 17.258 -18.176 -8.286 174 HD21 LEU 34 HD21 LEU 34 19.410 -20.212 -6.103 175 HD22 LEU 34 HD22 LEU 34 20.472 -18.911 -6.644 176 HD23 LEU 34 HD23 LEU 34 20.611 -20.533 -7.350 177 H THR 35 H THR 35 15.540 -21.902 -8.070 178 HA THR 35 HA THR 35 13.374 -20.080 -8.442 179 HB THR 35 HB THR 35 12.285 -21.603 -6.700 180 HG1 THR 35 HG1 THR 35 13.493 -23.627 -6.410 181 HG21 THR 35 HG21 THR 35 11.950 -21.974 -9.106 182 HG22 THR 35 HG22 THR 35 12.036 -23.508 -8.239 183 HG23 THR 35 HG23 THR 35 13.426 -22.939 -9.164 184 HA PRO 36 HA PRO 36 14.390 -17.282 -5.275 185 HB2 PRO 36 HB2 PRO 36 12.002 -16.936 -3.893 186 HB3 PRO 36 HB3 PRO 36 12.400 -16.155 -5.435 187 HG2 PRO 36 HG2 PRO 36 10.791 -18.604 -4.945 188 HG3 PRO 36 HG3 PRO 36 10.509 -17.277 -6.090 189 HD2 PRO 36 HD2 PRO 36 11.506 -19.597 -6.926 190 HD3 PRO 36 HD3 PRO 36 12.071 -18.058 -7.605 191 H GLN 37 H GLN 37 13.489 -20.304 -4.501 192 HA GLN 37 HA GLN 37 13.806 -20.079 -1.597 193 HB2 GLN 37 HB2 GLN 37 12.566 -22.316 -3.189 194 HB3 GLN 37 HB3 GLN 37 12.820 -22.370 -1.446 195 HG2 GLN 37 HG2 GLN 37 11.185 -20.278 -2.871 196 HG3 GLN 37 HG3 GLN 37 10.519 -21.706 -2.079 197 HE21 GLN 37 HE21 GLN 37 12.158 -18.590 -1.527 198 HE22 GLN 37 HE22 GLN 37 11.755 -18.512 0.126 199 H GLN 38 H GLN 38 15.473 -21.128 -4.374 200 HA GLN 38 HA GLN 38 17.399 -22.736 -2.824 201 HB2 GLN 38 HB2 GLN 38 17.366 -21.925 -5.754 202 HB3 GLN 38 HB3 GLN 38 18.550 -22.993 -5.023 203 HG2 GLN 38 HG2 GLN 38 15.609 -23.542 -5.351 204 HG3 GLN 38 HG3 GLN 38 16.912 -24.227 -6.318 205 HE21 GLN 38 HE21 GLN 38 18.258 -25.783 -5.382 206 HE22 GLN 38 HE22 GLN 38 17.770 -26.623 -3.944 207 H LEU 39 H LEU 39 16.618 -19.908 -2.765 208 HA LEU 39 HA LEU 39 19.134 -18.553 -2.868 209 HB2 LEU 39 HB2 LEU 39 18.302 -17.992 -4.961 210 HB3 LEU 39 HB3 LEU 39 16.636 -18.035 -4.434 211 HG LEU 39 HG LEU 39 16.962 -16.007 -3.247 212 HD11 LEU 39 HD11 LEU 39 19.681 -15.897 -4.655 213 HD12 LEU 39 HD12 LEU 39 19.452 -16.049 -2.915 214 HD13 LEU 39 HD13 LEU 39 18.987 -14.564 -3.739 215 HD21 LEU 39 HD21 LEU 39 17.053 -14.509 -5.211 216 HD22 LEU 39 HD22 LEU 39 16.029 -15.925 -5.427 217 HD23 LEU 39 HD23 LEU 39 17.625 -15.867 -6.168 218 H HIS 40 H HIS 40 18.870 -16.666 -1.425 219 HA HIS 40 HA HIS 40 16.420 -16.625 0.163 220 HB2 HIS 40 HB2 HIS 40 19.244 -15.808 0.930 221 HB3 HIS 40 HB3 HIS 40 17.790 -15.623 1.903 222 HD1 HIS 40 HD1 HIS 40 20.551 -18.036 1.414 223 HD2 HIS 40 HD2 HIS 40 16.567 -18.177 2.641 224 HE1 HIS 40 HE1 HIS 40 20.267 -20.186 2.637 225 H GLU 41 H GLU 41 15.279 -14.858 -0.582 226 HA GLU 41 HA GLU 41 16.632 -12.895 -2.147 227 HB2 GLU 41 HB2 GLU 41 13.826 -12.538 -1.133 228 HB3 GLU 41 HB3 GLU 41 14.537 -11.970 -2.633 229 HG2 GLU 41 HG2 GLU 41 13.281 -13.662 -3.458 230 HG3 GLU 41 HG3 GLU 41 14.737 -14.583 -3.071 231 H GLU 42 H GLU 42 15.257 -13.003 1.036 232 HA GLU 42 HA GLU 42 15.926 -10.214 1.507 233 HB2 GLU 42 HB2 GLU 42 14.662 -12.193 3.409 234 HB3 GLU 42 HB3 GLU 42 14.734 -10.448 3.608 235 HG2 GLU 42 HG2 GLU 42 13.136 -12.001 1.577 236 HG3 GLU 42 HG3 GLU 42 12.527 -10.990 2.883 237 H SER 43 H SER 43 17.634 -12.832 1.424 238 HA SER 43 HA SER 43 19.517 -11.885 3.413 239 HB2 SER 43 HB2 SER 43 19.284 -14.784 2.593 240 HB3 SER 43 HB3 SER 43 20.255 -14.108 3.881 241 HG SER 43 HG SER 43 17.823 -13.290 4.328 242 H ASN 44 H ASN 44 21.823 -12.776 2.663 243 HA ASN 44 HA ASN 44 22.505 -11.362 0.505 244 HB2 ASN 44 HB2 ASN 44 23.976 -13.784 1.518 245 HB3 ASN 44 HB3 ASN 44 24.621 -12.716 0.286 246 HD21 ASN 44 HD21 ASN 44 26.385 -12.052 1.578 247 HD22 ASN 44 HD22 ASN 44 26.152 -11.033 2.950 248 H LEU 45 H LEU 45 21.888 -11.211 -1.333 249 HA LEU 45 HA LEU 45 20.913 -13.318 -3.002 250 HB2 LEU 45 HB2 LEU 45 21.714 -10.497 -3.687 251 HB3 LEU 45 HB3 LEU 45 20.805 -11.582 -4.716 252 HG LEU 45 HG LEU 45 19.824 -10.550 -2.056 253 HD11 LEU 45 HD11 LEU 45 19.145 -9.688 -4.860 254 HD12 LEU 45 HD12 LEU 45 20.054 -8.741 -3.680 255 HD13 LEU 45 HD13 LEU 45 18.357 -9.126 -3.388 256 HD21 LEU 45 HD21 LEU 45 18.484 -12.078 -4.280 257 HD22 LEU 45 HD22 LEU 45 17.670 -11.348 -2.901 258 HD23 LEU 45 HD23 LEU 45 18.825 -12.658 -2.641 259 H ILE 46 H ILE 46 24.010 -12.139 -2.357 260 HA ILE 46 HA ILE 46 25.270 -12.769 -4.853 261 HB ILE 46 HB ILE 46 26.555 -12.544 -2.098 262 HG12 ILE 46 HG12 ILE 46 25.304 -10.495 -2.686 263 HG13 ILE 46 HG11 ILE 46 27.035 -10.211 -2.604 264 HG21 ILE 46 HG21 ILE 46 28.615 -11.968 -3.324 265 HG22 ILE 46 HG22 ILE 46 27.771 -12.269 -4.849 266 HG23 ILE 46 HG23 ILE 46 28.014 -13.598 -3.693 267 HD11 ILE 46 HD11 ILE 46 25.971 -9.032 -4.456 268 HD12 ILE 46 HD12 ILE 46 25.446 -10.579 -5.137 269 HD13 ILE 46 HD13 ILE 46 27.163 -10.196 -5.030 270 H GLN 47 H GLN 47 23.919 -14.644 -2.484 271 HA GLN 47 HA GLN 47 25.545 -16.969 -2.449 272 HB2 GLN 47 HB2 GLN 47 23.675 -16.328 -0.875 273 HB3 GLN 47 HB3 GLN 47 22.574 -16.751 -2.178 274 HG2 GLN 47 HG2 GLN 47 23.649 -18.985 -2.199 275 HG3 GLN 47 HG3 GLN 47 24.457 -18.493 -0.706 276 HE21 GLN 47 HE21 GLN 47 21.400 -19.360 -2.142 277 HE22 GLN 47 HE22 GLN 47 20.511 -19.515 -0.676 278 H ALA 48 H ALA 48 23.323 -15.539 -4.606 279 HA ALA 48 HA ALA 48 23.055 -17.931 -6.280 280 HB1 ALA 48 HB1 ALA 48 21.586 -15.297 -6.150 281 HB2 ALA 48 HB2 ALA 48 20.954 -16.908 -5.793 282 HB3 ALA 48 HB3 ALA 48 21.359 -16.465 -7.454 283 H GLY 49 H GLY 49 22.985 -16.969 -8.798 284 HA2 GLY 49 HA2 GLY 49 25.679 -15.947 -9.078 285 HA3 GLY 49 HA3 GLY 49 24.602 -16.424 -10.390 286 H LEU 50 H LEU 50 25.452 -13.887 -8.160 287 HA LEU 50 HA LEU 50 24.074 -11.975 -9.848 288 HB2 LEU 50 HB2 LEU 50 22.878 -12.364 -7.720 289 HB3 LEU 50 HB3 LEU 50 24.349 -12.014 -6.838 290 HG LEU 50 HG LEU 50 24.335 -9.784 -7.825 291 HD11 LEU 50 HD11 LEU 50 21.539 -10.548 -8.690 292 HD12 LEU 50 HD12 LEU 50 22.897 -10.153 -9.747 293 HD13 LEU 50 HD13 LEU 50 22.188 -8.910 -8.719 294 HD21 LEU 50 HD21 LEU 50 23.574 -10.113 -5.556 295 HD22 LEU 50 HD22 LEU 50 21.954 -10.510 -6.133 296 HD23 LEU 50 HD23 LEU 50 22.591 -8.881 -6.338 297 H ASP 51 H ASP 51 25.726 -11.247 -10.892 298 HA ASP 51 HA ASP 51 28.287 -10.794 -9.679 299 HB2 ASP 51 HB2 ASP 51 28.877 -10.058 -12.032 300 HB3 ASP 51 HB3 ASP 51 28.293 -11.714 -11.895 301 H 4HJ 52 H 4HJ 52 29.065 -8.478 -11.134 302 HA 4HJ 52 HA 4HJ 52 27.700 -6.594 -9.434 303 HAA 4HJ 52 HAA 4HJ 52 29.670 -10.077 -8.331 304 HB3 4HJ 52 HB3 4HJ 52 29.666 -5.136 -10.002 305 HB2 4HJ 52 HB2 4HJ 52 30.105 -6.600 -9.136 306 HZ1 4HJ 52 HZ1 4HJ 52 29.071 -10.806 -6.101 307 HZ2 4HJ 52 HZ2 4HJ 52 31.119 -8.149 -8.680 308 HZ 4HJ 52 HZ 4HJ 52 30.328 -9.111 -3.178 309 HJ2 4HJ 52 HJ2 4HJ 52 30.932 -3.215 -11.076 310 HJ3 4HJ 52 HJ3 4HJ 52 32.635 -3.308 -11.480 311 HL12 4HJ 52 HL12 4HJ 52 34.254 -3.495 -9.600 312 HL11 4HJ 52 HL11 4HJ 52 33.161 -4.224 -8.471 313 HL13 4HJ 52 HL13 4HJ 52 33.907 -2.720 -8.003 314 HL22 4HJ 52 HL22 4HJ 52 30.193 -2.343 -9.050 315 HL21 4HJ 52 HL21 4HJ 52 31.250 -1.984 -7.646 316 HL23 4HJ 52 HL23 4HJ 52 30.990 -3.616 -8.179 317 HM 4HJ 52 HM 4HJ 52 31.665 0.460 -10.359 318 HN 4HJ 52 HN 4HJ 52 34.714 -0.813 -7.770 319 HL3 4HJ 52 HL3 4HJ 52 33.302 -1.094 -10.824 320 HO2 4HJ 52 HO2 4HJ 52 33.256 0.433 -5.943 321 HO3 4HJ 52 HO3 4HJ 52 31.977 -0.539 -6.695 322 HP2 4HJ 52 HP2 4HJ 52 32.996 -2.615 -6.104 323 HP3 4HJ 52 HP3 4HJ 52 34.404 -1.776 -5.501 324 HS2 4HJ 52 HS2 4HJ 52 33.307 -3.332 -1.909 325 HS3 4HJ 52 HS3 4HJ 52 34.148 -3.804 -3.417 326 HT3 4HJ 52 HT3 4HJ 52 33.268 -5.765 -2.322 327 HT2 4HJ 52 HT2 4HJ 52 31.650 -5.085 -2.403 328 HY2 4HJ 52 HY2 4HJ 52 32.029 -6.876 -6.758 329 HR 4HJ 52 HR 4HJ 52 31.428 -3.083 -3.880 330 H ILE 53 H ILE 53 27.843 -7.588 -12.625 331 HA ILE 53 HA ILE 53 27.399 -5.003 -13.705 332 HB ILE 53 HB ILE 53 28.356 -7.262 -14.788 333 HG12 ILE 53 HG12 ILE 53 28.659 -5.131 -15.760 334 HG13 ILE 53 HG11 ILE 53 28.062 -6.246 -16.992 335 HG21 ILE 53 HG21 ILE 53 26.229 -8.488 -14.865 336 HG22 ILE 53 HG22 ILE 53 26.781 -8.155 -16.508 337 HG23 ILE 53 HG23 ILE 53 25.492 -7.183 -15.797 338 HD11 ILE 53 HD11 ILE 53 25.805 -5.325 -16.635 339 HD12 ILE 53 HD12 ILE 53 26.956 -4.100 -17.239 340 HD13 ILE 53 HD13 ILE 53 26.504 -4.150 -15.523 341 H ARG 54 H ARG 54 25.615 -7.751 -12.672 342 HA ARG 54 HA ARG 54 23.026 -6.784 -13.222 343 HB2 ARG 54 HB2 ARG 54 24.162 -8.717 -11.293 344 HB3 ARG 54 HB3 ARG 54 22.594 -8.029 -10.899 345 HG2 ARG 54 HG2 ARG 54 22.323 -10.125 -12.055 346 HG3 ARG 54 HG3 ARG 54 21.718 -8.803 -13.040 347 HD2 ARG 54 HD2 ARG 54 23.837 -8.852 -14.333 348 HD3 ARG 54 HD3 ARG 54 24.346 -10.225 -13.338 349 HE ARG 54 HE ARG 54 21.824 -10.388 -14.833 350 HH11 ARG 54 HH11 ARG 54 25.131 -11.654 -14.302 351 HH12 ARG 54 HH12 ARG 54 24.875 -13.035 -15.210 352 HH21 ARG 54 HH21 ARG 54 21.500 -12.253 -16.043 353 HH22 ARG 54 HH22 ARG 54 22.733 -13.431 -16.239 354 H LEU 55 H LEU 55 25.046 -6.378 -10.299 355 HA LEU 55 HA LEU 55 23.156 -4.653 -9.173 356 HB2 LEU 55 HB2 LEU 55 26.029 -5.016 -8.439 357 HB3 LEU 55 HB3 LEU 55 25.087 -3.733 -7.721 358 HG LEU 55 HG LEU 55 23.448 -5.641 -7.071 359 HD11 LEU 55 HD11 LEU 55 25.958 -7.207 -7.476 360 HD12 LEU 55 HD12 LEU 55 24.434 -7.396 -8.345 361 HD13 LEU 55 HD13 LEU 55 24.522 -7.757 -6.619 362 HD21 LEU 55 HD21 LEU 55 24.666 -4.307 -5.469 363 HD22 LEU 55 HD22 LEU 55 26.104 -5.304 -5.692 364 HD23 LEU 55 HD23 LEU 55 24.652 -5.998 -4.977 365 H MET 56 H MET 56 26.001 -3.728 -11.180 366 HA MET 56 HA MET 56 25.491 -0.992 -10.647 367 HB2 MET 56 HB2 MET 56 26.928 -2.196 -13.025 368 HB3 MET 56 HB3 MET 56 26.832 -0.475 -12.715 369 HG2 MET 56 HG2 MET 56 28.362 -2.564 -11.135 370 HG3 MET 56 HG3 MET 56 28.971 -1.132 -11.961 371 HE1 MET 56 HE1 MET 56 27.324 -1.438 -7.725 372 HE2 MET 56 HE2 MET 56 28.035 -2.714 -8.705 373 HE3 MET 56 HE3 MET 56 26.416 -2.130 -9.066 374 H ARG 57 H ARG 57 24.197 -3.155 -12.951 375 HA ARG 57 HA ARG 57 22.653 -1.428 -14.548 376 HB2 ARG 57 HB2 ARG 57 23.055 -3.631 -15.139 377 HB3 ARG 57 HB3 ARG 57 22.369 -4.225 -13.640 378 HG2 ARG 57 HG2 ARG 57 20.202 -3.723 -14.321 379 HG3 ARG 57 HG3 ARG 57 20.778 -2.742 -15.686 380 HD2 ARG 57 HD2 ARG 57 21.593 -4.430 -16.764 381 HD3 ARG 57 HD3 ARG 57 21.690 -5.496 -15.362 382 HE ARG 57 HE ARG 57 19.098 -4.702 -16.514 383 HH11 ARG 57 HH11 ARG 57 21.370 -7.274 -15.588 384 HH12 ARG 57 HH12 ARG 57 20.215 -8.527 -15.626 385 HH21 ARG 57 HH21 ARG 57 17.471 -6.508 -16.561 386 HH22 ARG 57 HH22 ARG 57 18.061 -8.079 -16.153 387 H TRP 58 H TRP 58 21.853 -3.275 -11.613 388 HA TRP 58 HA TRP 58 19.213 -2.248 -11.156 389 HB2 TRP 58 HB2 TRP 58 21.173 -3.369 -9.146 390 HB3 TRP 58 HB3 TRP 58 19.445 -3.086 -8.920 391 HD1 TRP 58 HD1 TRP 58 21.363 -5.932 -9.144 392 HE1 TRP 58 HE1 TRP 58 20.287 -7.862 -10.475 393 HE3 TRP 58 HE3 TRP 58 17.717 -3.309 -11.669 394 HZ2 TRP 58 HZ2 TRP 58 18.199 -8.221 -12.317 395 HZ3 TRP 58 HZ3 TRP 58 16.234 -4.531 -13.164 396 HH2 TRP 58 HH2 TRP 58 16.444 -6.927 -13.478 397 H LEU 59 H LEU 59 22.267 -1.139 -9.890 398 HA LEU 59 HA LEU 59 21.312 0.964 -8.345 399 HB2 LEU 59 HB2 LEU 59 23.820 0.463 -9.806 400 HB3 LEU 59 HB3 LEU 59 23.507 2.109 -9.309 401 HG LEU 59 HG LEU 59 24.902 0.945 -7.756 402 HD11 LEU 59 HD11 LEU 59 22.206 1.520 -6.603 403 HD12 LEU 59 HD12 LEU 59 23.428 2.702 -7.049 404 HD13 LEU 59 HD13 LEU 59 23.763 1.558 -5.740 405 HD21 LEU 59 HD21 LEU 59 24.077 -1.277 -8.128 406 HD22 LEU 59 HD22 LEU 59 22.559 -0.867 -7.341 407 HD23 LEU 59 HD23 LEU 59 24.080 -0.886 -6.403 408 H HIS 60 H HIS 60 22.365 1.069 -11.650 409 HA HIS 60 HA HIS 60 21.772 3.741 -12.109 410 HB2 HIS 60 HB2 HIS 60 23.313 2.496 -13.356 411 HB3 HIS 60 HB3 HIS 60 22.098 1.361 -13.890 412 HD1 HIS 60 HD1 HIS 60 23.441 4.805 -14.702 413 HD2 HIS 60 HD2 HIS 60 20.401 2.272 -15.962 414 HE1 HIS 60 HE1 HIS 60 22.463 5.859 -16.773 415 H TRP 61 H TRP 61 19.725 0.968 -12.074 416 HA TRP 61 HA TRP 61 17.588 2.083 -13.573 417 HB2 TRP 61 HB2 TRP 61 17.994 -0.335 -13.311 418 HB3 TRP 61 HB3 TRP 61 17.689 -0.192 -11.597 419 HD1 TRP 61 HD1 TRP 61 15.621 0.676 -14.806 420 HE1 TRP 61 HE1 TRP 61 13.234 -0.280 -14.437 421 HE3 TRP 61 HE3 TRP 61 16.220 -1.212 -10.153 422 HZ2 TRP 61 HZ2 TRP 61 11.824 -1.702 -12.437 423 HZ3 TRP 61 HZ3 TRP 61 14.334 -2.392 -9.070 424 HH2 TRP 61 HH2 TRP 61 12.185 -2.613 -10.196 425 H PHE 62 H PHE 62 17.917 1.405 -10.036 426 HA PHE 62 HA PHE 62 15.712 3.076 -9.622 427 HB2 PHE 62 HB2 PHE 62 16.692 2.791 -7.019 428 HB3 PHE 62 HB3 PHE 62 15.394 1.868 -7.772 429 HD1 PHE 62 HD2 PHE 62 18.954 2.030 -7.056 430 HD2 PHE 62 HD1 PHE 62 15.674 -0.359 -8.194 431 HE1 PHE 62 HE2 PHE 62 20.342 -0.051 -6.765 432 HE2 PHE 62 HE1 PHE 62 16.984 -2.393 -7.920 433 HZ PHE 62 HZ PHE 62 19.318 -2.255 -7.266 434 H ARG 63 H ARG 63 19.094 3.746 -9.557 435 HA ARG 63 HA ARG 63 19.089 6.064 -7.966 436 HB2 ARG 63 HB2 ARG 63 20.854 5.294 -10.280 437 HB3 ARG 63 HB3 ARG 63 21.040 6.837 -9.473 438 HG2 ARG 63 HG2 ARG 63 21.274 4.145 -8.133 439 HG3 ARG 63 HG3 ARG 63 22.630 5.114 -8.701 440 HD2 ARG 63 HD2 ARG 63 20.648 5.871 -6.546 441 HD3 ARG 63 HD3 ARG 63 22.331 5.413 -6.313 442 HE ARG 63 HE ARG 63 21.547 7.796 -7.834 443 HH11 ARG 63 HH11 ARG 63 23.547 6.305 -5.280 444 HH12 ARG 63 HH12 ARG 63 24.356 7.724 -4.870 445 HH21 ARG 63 HH21 ARG 63 22.679 9.793 -7.250 446 HH22 ARG 63 HH22 ARG 63 23.849 9.782 -6.019 447 H LYS 64 H LYS 64 17.859 5.560 -11.134 448 HA LYS 64 HA LYS 64 17.778 8.355 -11.800 449 HB2 LYS 64 HB2 LYS 64 16.596 5.965 -13.146 450 HB3 LYS 64 HB3 LYS 64 16.418 7.616 -13.737 451 HG2 LYS 64 HG2 LYS 64 18.999 7.693 -13.584 452 HG3 LYS 64 HG3 LYS 64 18.879 5.933 -13.562 453 HD2 LYS 64 HD2 LYS 64 17.631 7.725 -15.545 454 HD3 LYS 64 HD3 LYS 64 19.195 6.939 -15.816 455 HE2 LYS 64 HE2 LYS 64 16.539 5.524 -15.365 456 HE3 LYS 64 HE3 LYS 64 17.325 5.710 -16.929 457 HZ1 LYS 64 HZ1 LYS 64 17.734 3.521 -15.936 458 HZ2 LYS 64 HZ2 LYS 64 18.495 4.250 -14.611 459 HZ3 LYS 64 HZ3 LYS 64 19.168 4.385 -16.139 460 H ASN 65 H ASN 65 15.967 6.395 -9.812 461 HA ASN 65 HA ASN 65 13.610 8.130 -10.065 462 HB2 ASN 65 HB2 ASN 65 13.418 5.551 -10.294 463 HB3 ASN 65 HB3 ASN 65 13.806 5.480 -8.588 464 HD21 ASN 65 HD21 ASN 65 11.417 4.607 -10.117 465 HD22 ASN 65 HD22 ASN 65 10.076 5.366 -9.372 466 H GLY 66 H GLY 66 16.373 8.259 -8.775 467 HA2 GLY 66 HA2 GLY 66 17.262 9.630 -7.185 468 HA3 GLY 66 HA3 GLY 66 15.631 10.048 -6.717 469 H TYR 67 H TYR 67 17.211 6.785 -6.505 470 HA TYR 67 HA TYR 67 16.548 7.026 -3.714 471 HB2 TYR 67 HB2 TYR 67 17.158 4.542 -5.298 472 HB3 TYR 67 HB3 TYR 67 16.787 4.571 -3.565 473 HD1 TYR 67 HD2 TYR 67 14.689 6.213 -3.055 474 HD2 TYR 67 HD1 TYR 67 15.307 4.029 -6.630 475 HE1 TYR 67 HE2 TYR 67 12.317 6.425 -3.595 476 HE2 TYR 67 HE1 TYR 67 12.945 4.247 -7.167 477 HH TYR 67 HH TYR 67 11.137 6.462 -6.015 478 H ARG 68 H ARG 68 17.782 6.252 -2.024 479 HA ARG 68 HA ARG 68 20.329 7.476 -2.049 480 HB2 ARG 68 HB2 ARG 68 18.834 8.085 -0.382 481 HB3 ARG 68 HB3 ARG 68 18.272 6.434 -0.189 482 HG2 ARG 68 HG2 ARG 68 21.019 6.715 0.295 483 HG3 ARG 68 HG3 ARG 68 20.048 7.768 1.372 484 HD2 ARG 68 HD2 ARG 68 18.718 5.770 2.034 485 HD3 ARG 68 HD3 ARG 68 19.614 4.784 0.892 486 HE ARG 68 HE ARG 68 20.254 5.329 3.565 487 HH11 ARG 68 HH11 ARG 68 21.873 4.843 0.413 488 HH12 ARG 68 HH12 ARG 68 23.292 4.207 1.141 489 HH21 ARG 68 HH21 ARG 68 22.112 4.375 4.425 490 HH22 ARG 68 HH22 ARG 68 23.442 3.916 3.376 491 H LEU 69 H LEU 69 21.833 5.990 -3.058 492 HA LEU 69 HA LEU 69 22.854 3.960 -1.403 493 HB2 LEU 69 HB2 LEU 69 22.377 1.988 -2.633 494 HB3 LEU 69 HB3 LEU 69 20.899 2.702 -2.052 495 HG LEU 69 HG LEU 69 21.896 2.598 -4.881 496 HD11 LEU 69 HD11 LEU 69 19.413 1.576 -3.562 497 HD12 LEU 69 HD12 LEU 69 20.856 0.598 -3.792 498 HD13 LEU 69 HD13 LEU 69 19.934 1.196 -5.203 499 HD21 LEU 69 HD21 LEU 69 19.759 3.596 -5.569 500 HD22 LEU 69 HD22 LEU 69 20.716 4.705 -4.580 501 HD23 LEU 69 HD23 LEU 69 19.352 3.860 -3.870 502 H THR 70 H THR 70 24.649 3.529 -1.560 503 HA THR 70 HA THR 70 26.184 4.357 -3.896 504 HB THR 70 HB THR 70 27.218 3.502 -1.195 505 HG1 THR 70 HG1 THR 70 25.852 5.073 -0.622 506 HG21 THR 70 HG21 THR 70 28.834 3.840 -3.023 507 HG22 THR 70 HG22 THR 70 29.053 5.048 -1.756 508 HG23 THR 70 HG23 THR 70 28.231 5.482 -3.254 509 H LEU 71 H LEU 71 27.665 2.733 -4.635 510 HA LEU 71 HA LEU 71 26.419 0.399 -5.213 511 HB2 LEU 71 HB2 LEU 71 29.405 0.693 -5.291 512 HB3 LEU 71 HB3 LEU 71 28.418 -0.504 -6.110 513 HG LEU 71 HG LEU 71 28.958 0.996 -7.798 514 HD11 LEU 71 HD11 LEU 71 26.889 2.167 -8.343 515 HD12 LEU 71 HD12 LEU 71 26.320 1.815 -6.695 516 HD13 LEU 71 HD13 LEU 71 26.705 0.490 -7.815 517 HD21 LEU 71 HD21 LEU 71 29.855 2.726 -6.329 518 HD22 LEU 71 HD22 LEU 71 28.146 3.232 -6.063 519 HD23 LEU 71 HD23 LEU 71 28.867 3.305 -7.693 520 H ARG 72 H ARG 72 28.873 0.938 -2.911 521 HA ARG 72 HA ARG 72 29.512 -1.766 -2.209 522 HB2 ARG 72 HB2 ARG 72 31.007 0.217 -1.974 523 HB3 ARG 72 HB3 ARG 72 30.022 0.735 -0.619 524 HG2 ARG 72 HG2 ARG 72 30.637 -1.210 0.639 525 HG3 ARG 72 HG3 ARG 72 31.497 -1.878 -0.756 526 HD2 ARG 72 HD2 ARG 72 32.188 0.659 0.729 527 HD3 ARG 72 HD3 ARG 72 33.083 -0.861 0.790 528 HE ARG 72 HE ARG 72 32.918 -0.151 -1.876 529 HH11 ARG 72 HH11 ARG 72 34.414 1.194 1.031 530 HH12 ARG 72 HH12 ARG 72 35.646 2.025 0.205 531 HH21 ARG 72 HH21 ARG 72 34.544 0.961 -3.026 532 HH22 ARG 72 HH22 ARG 72 35.727 1.892 -2.226 533 H GLU 73 H GLU 73 26.963 0.355 -1.139 534 HA GLU 73 HA GLU 73 26.587 -0.892 1.390 535 HB2 GLU 73 HB2 GLU 73 24.673 0.720 -0.304 536 HB3 GLU 73 HB3 GLU 73 24.472 0.339 1.403 537 HG2 GLU 73 HG2 GLU 73 26.489 1.612 1.928 538 HG3 GLU 73 HG3 GLU 73 26.689 1.991 0.220 539 H LEU 74 H LEU 74 25.503 -1.427 -1.863 540 HA LEU 74 HA LEU 74 23.514 -3.360 -1.117 541 HB2 LEU 74 HB2 LEU 74 24.682 -2.829 -3.844 542 HB3 LEU 74 HB3 LEU 74 23.262 -3.789 -3.504 543 HG LEU 74 HG LEU 74 22.428 -1.507 -2.463 544 HD11 LEU 74 HD11 LEU 74 23.158 0.386 -3.899 545 HD12 LEU 74 HD12 LEU 74 24.503 -0.614 -4.463 546 HD13 LEU 74 HD13 LEU 74 24.364 -0.203 -2.772 547 HD21 LEU 74 HD21 LEU 74 21.352 -1.021 -4.604 548 HD22 LEU 74 HD22 LEU 74 21.277 -2.722 -4.169 549 HD23 LEU 74 HD23 LEU 74 22.432 -2.173 -5.398 550 H TYR 75 H TYR 75 26.810 -3.373 -1.483 551 HA TYR 75 HA TYR 75 26.988 -6.233 -2.102 552 HB2 TYR 75 HB2 TYR 75 28.999 -4.050 -1.825 553 HB3 TYR 75 HB3 TYR 75 29.520 -5.713 -1.900 554 HD1 TYR 75 HD2 TYR 75 28.358 -7.047 -3.887 555 HD2 TYR 75 HD1 TYR 75 28.952 -2.882 -3.701 556 HE1 TYR 75 HE2 TYR 75 28.241 -6.925 -6.377 557 HE2 TYR 75 HE1 TYR 75 28.823 -2.722 -6.149 558 HH TYR 75 HH TYR 75 27.798 -5.362 -8.054 559 H ALA 76 H ALA 76 27.517 -3.948 0.475 560 HA ALA 76 HA ALA 76 28.683 -5.842 2.134 561 HB1 ALA 76 HB1 ALA 76 28.351 -4.194 3.964 562 HB2 ALA 76 HB2 ALA 76 27.334 -3.240 2.884 563 HB3 ALA 76 HB3 ALA 76 29.045 -3.461 2.517 564 H ALA 77 H ALA 77 25.417 -4.631 1.652 565 HA ALA 77 HA ALA 77 24.433 -6.982 3.059 566 HB1 ALA 77 HB1 ALA 77 22.539 -5.698 3.931 567 HB2 ALA 77 HB2 ALA 77 23.189 -4.229 3.202 568 HB3 ALA 77 HB3 ALA 77 24.066 -5.026 4.507 569 HA PRO 78 HA PRO 78 22.603 -6.777 -1.106 570 HB2 PRO 78 HB2 PRO 78 23.351 -9.424 -1.702 571 HB3 PRO 78 HB3 PRO 78 24.199 -7.966 -2.250 572 HG2 PRO 78 HG2 PRO 78 25.207 -9.888 -0.477 573 HG3 PRO 78 HG3 PRO 78 25.901 -8.298 -0.836 574 HD2 PRO 78 HD2 PRO 78 24.283 -9.155 1.489 575 HD3 PRO 78 HD3 PRO 78 25.524 -7.889 1.366 576 H THR 79 H THR 79 20.651 -6.776 0.058 577 HA THR 79 HA THR 79 19.263 -9.324 0.154 578 HB THR 79 HB THR 79 18.311 -8.704 2.401 579 HG1 THR 79 HG1 THR 79 20.398 -6.781 2.389 580 HG21 THR 79 HG21 THR 79 20.220 -9.326 3.799 581 HG22 THR 79 HG22 THR 79 21.324 -8.946 2.474 582 HG23 THR 79 HG23 THR 79 20.196 -10.293 2.321 583 H LEU 80 H LEU 80 17.058 -8.914 -0.361 584 HA LEU 80 HA LEU 80 16.501 -6.444 -1.566 585 HB2 LEU 80 HB2 LEU 80 14.711 -8.618 -0.625 586 HB3 LEU 80 HB3 LEU 80 14.170 -7.218 -1.527 587 HG LEU 80 HG LEU 80 16.153 -9.261 -2.369 588 HD11 LEU 80 HD11 LEU 80 13.401 -8.663 -3.456 589 HD12 LEU 80 HD12 LEU 80 13.783 -10.027 -2.408 590 HD13 LEU 80 HD13 LEU 80 14.456 -9.941 -4.052 591 HD21 LEU 80 HD21 LEU 80 15.112 -6.881 -3.917 592 HD22 LEU 80 HD22 LEU 80 16.017 -8.195 -4.643 593 HD23 LEU 80 HD23 LEU 80 16.783 -7.187 -3.420 594 H ALA 81 H ALA 81 15.718 -7.764 1.456 595 HA ALA 81 HA ALA 81 14.180 -5.872 2.691 596 HB1 ALA 81 HB1 ALA 81 16.536 -7.236 3.993 597 HB2 ALA 81 HB2 ALA 81 14.930 -7.935 3.791 598 HB3 ALA 81 HB3 ALA 81 15.155 -6.524 4.827 599 H ALA 82 H ALA 82 17.772 -5.703 2.555 600 HA ALA 82 HA ALA 82 17.811 -3.119 3.772 601 HB1 ALA 82 HB1 ALA 82 20.193 -3.081 3.254 602 HB2 ALA 82 HB2 ALA 82 20.000 -4.487 2.206 603 HB3 ALA 82 HB3 ALA 82 19.736 -4.639 3.942 604 H TRP 83 H TRP 83 17.796 -4.299 0.474 605 HA TRP 83 HA TRP 83 18.413 -1.795 -0.679 606 HB2 TRP 83 HB2 TRP 83 17.038 -4.195 -1.930 607 HB3 TRP 83 HB3 TRP 83 17.579 -2.787 -2.832 608 HD1 TRP 83 HD1 TRP 83 20.181 -3.493 -0.317 609 HE1 TRP 83 HE1 TRP 83 22.111 -4.850 -1.295 610 HE3 TRP 83 HE3 TRP 83 17.995 -4.938 -4.719 611 HZ2 TRP 83 HZ2 TRP 83 22.661 -6.331 -3.647 612 HZ3 TRP 83 HZ3 TRP 83 19.303 -6.315 -6.279 613 HH2 TRP 83 HH2 TRP 83 21.586 -6.995 -5.753 614 H ASN 84 H ASN 84 15.457 -3.319 0.314 615 HA ASN 84 HA ASN 84 13.625 -1.457 -0.660 616 HB2 ASN 84 HB2 ASN 84 12.887 -3.565 0.323 617 HB3 ASN 84 HB3 ASN 84 13.555 -3.107 1.883 618 HD21 ASN 84 HD21 ASN 84 12.375 -1.691 3.232 619 HD22 ASN 84 HD22 ASN 84 10.767 -1.234 2.837 620 H GLN 85 H GLN 85 15.493 -1.469 2.374 621 HA GLN 85 HA GLN 85 14.356 0.876 3.438 622 HB2 GLN 85 HB2 GLN 85 17.160 -0.164 3.897 623 HB3 GLN 85 HB3 GLN 85 16.343 1.035 4.888 624 HG2 GLN 85 HG2 GLN 85 15.650 -1.876 4.577 625 HG3 GLN 85 HG3 GLN 85 16.227 -1.050 6.025 626 HE21 GLN 85 HE21 GLN 85 14.790 0.364 7.128 627 HE22 GLN 85 HE22 GLN 85 13.097 0.238 6.919 628 H LEU 86 H LEU 86 16.959 0.389 1.218 629 HA LEU 86 HA LEU 86 18.023 2.953 1.060 630 HB2 LEU 86 HB2 LEU 86 17.782 0.851 -1.071 631 HB3 LEU 86 HB3 LEU 86 18.790 2.280 -1.190 632 HG LEU 86 HG LEU 86 19.104 0.151 0.915 633 HD11 LEU 86 HD11 LEU 86 21.024 -0.602 -0.354 634 HD12 LEU 86 HD12 LEU 86 20.809 0.735 -1.475 635 HD13 LEU 86 HD13 LEU 86 19.635 -0.570 -1.467 636 HD21 LEU 86 HD21 LEU 86 19.923 2.320 1.620 637 HD22 LEU 86 HD22 LEU 86 20.806 2.464 0.100 638 HD23 LEU 86 HD23 LEU 86 21.281 1.231 1.266 639 H MET 87 H MET 87 14.920 1.758 0.019 640 HA MET 87 HA MET 87 14.624 3.494 -2.222 641 HB2 MET 87 HB2 MET 87 12.971 1.514 -0.801 642 HB3 MET 87 HB3 MET 87 12.269 2.564 -2.032 643 HG2 MET 87 HG2 MET 87 13.904 1.579 -3.597 644 HG3 MET 87 HG3 MET 87 14.405 0.485 -2.295 645 HE1 MET 87 HE1 MET 87 13.666 -1.649 -3.899 646 HE2 MET 87 HE2 MET 87 13.389 -0.302 -4.999 647 HE3 MET 87 HE3 MET 87 12.113 -1.537 -4.788 648 H LEU 88 H LEU 88 13.035 2.901 0.912 649 HA LEU 88 HA LEU 88 11.587 5.347 0.595 650 HB2 LEU 88 HB2 LEU 88 10.428 4.406 2.782 651 HB3 LEU 88 HB3 LEU 88 9.952 3.988 1.161 652 HG LEU 88 HG LEU 88 9.999 2.092 2.783 653 HD11 LEU 88 HD11 LEU 88 11.544 1.822 0.317 654 HD12 LEU 88 HD12 LEU 88 9.841 1.493 0.591 655 HD13 LEU 88 HD13 LEU 88 11.068 0.465 1.321 656 HD21 LEU 88 HD21 LEU 88 11.981 2.630 4.073 657 HD22 LEU 88 HD22 LEU 88 12.983 2.392 2.644 658 HD23 LEU 88 HD23 LEU 88 12.115 1.026 3.350 659 H SER 89 H SER 89 13.984 4.176 2.935 660 HA SER 89 HA SER 89 13.305 6.085 4.879 661 HB2 SER 89 HB2 SER 89 15.899 4.621 4.497 662 HB3 SER 89 HB3 SER 89 15.253 5.276 6.008 663 HG SER 89 HG SER 89 14.431 3.329 6.196 664 H ARG 90 H ARG 90 15.827 6.041 2.400 665 HA ARG 90 HA ARG 90 17.071 7.697 1.384 666 HB2 ARG 90 HB2 ARG 90 14.992 9.584 2.439 667 HB3 ARG 90 HB3 ARG 90 16.087 9.858 1.096 668 HG2 ARG 90 HG2 ARG 90 14.283 7.598 1.169 669 HG3 ARG 90 HG3 ARG 90 13.636 9.177 0.658 670 HD2 ARG 90 HD2 ARG 90 15.578 9.089 -1.077 671 HD3 ARG 90 HD3 ARG 90 15.693 7.375 -0.640 672 HE ARG 90 HE ARG 90 13.524 7.021 -1.334 673 HH11 ARG 90 HH11 ARG 90 14.917 9.939 -2.722 674 HH12 ARG 90 HH12 ARG 90 13.507 10.445 -3.526 675 HH21 ARG 90 HH21 ARG 90 11.557 7.723 -2.392 676 HH22 ARG 90 HH22 ARG 90 11.446 9.168 -3.267 677 H SER 91 H SER 91 18.239 7.089 3.668 678 HA SER 91 HA SER 91 20.263 7.932 4.320 679 HB2 SER 91 HB2 SER 91 19.155 10.736 4.532 680 HB3 SER 91 HB3 SER 91 20.835 10.263 4.795 681 HG SER 91 HG SER 91 19.404 10.595 2.499 682 HA PRO 92 HA PRO 92 18.730 8.533 8.940 683 HB2 PRO 92 HB2 PRO 92 16.173 7.053 8.429 684 HB3 PRO 92 HB3 PRO 92 16.501 8.314 9.637 685 HG2 PRO 92 HG2 PRO 92 15.079 8.909 7.525 686 HG3 PRO 92 HG3 PRO 92 16.314 10.037 8.122 687 HD2 PRO 92 HD2 PRO 92 16.423 8.232 5.752 688 HD3 PRO 92 HD3 PRO 92 17.048 9.879 5.951 689 H GLU 93 H GLU 93 17.985 6.238 6.515 690 HA GLU 93 HA GLU 93 19.650 4.219 7.710 691 HB2 GLU 93 HB2 GLU 93 17.076 3.820 6.127 692 HB3 GLU 93 HB3 GLU 93 18.183 2.538 6.582 693 HG2 GLU 93 HG2 GLU 93 17.655 2.863 8.919 694 HG3 GLU 93 HG3 GLU 93 16.630 4.242 8.519 Start of MODEL 18 1 H ASP 14 HT1 ASP 14 10.752 7.247 3.186 2 HA ASP 14 HA ASP 14 10.923 5.051 2.245 3 HB2 ASP 14 HB2 ASP 14 8.844 3.736 2.020 4 HB3 ASP 14 HB3 ASP 14 9.174 4.020 3.725 5 H ASN 15 H ASN 15 9.179 4.656 0.125 6 HA ASN 15 HA ASN 15 8.598 7.304 -0.972 7 HB2 ASN 15 HB2 ASN 15 10.975 6.753 -1.611 8 HB3 ASN 15 HB3 ASN 15 10.387 5.276 -2.363 9 HD21 ASN 15 HD21 ASN 15 11.020 5.820 -4.437 10 HD22 ASN 15 HD22 ASN 15 10.317 7.123 -5.314 11 H ARG 16 H ARG 16 7.349 7.127 -2.917 12 HA ARG 16 HA ARG 16 5.358 5.071 -2.416 13 HB2 ARG 16 HB2 ARG 16 5.092 7.196 -4.527 14 HB3 ARG 16 HB3 ARG 16 3.826 6.351 -3.665 15 HG2 ARG 16 HG2 ARG 16 5.577 8.594 -2.710 16 HG3 ARG 16 HG3 ARG 16 3.811 8.583 -2.836 17 HD2 ARG 16 HD2 ARG 16 5.649 7.366 -0.794 18 HD3 ARG 16 HD3 ARG 16 4.314 8.477 -0.541 19 HE ARG 16 HE ARG 16 3.003 6.346 -1.364 20 HH11 ARG 16 HH11 ARG 16 5.616 6.747 0.999 21 HH12 ARG 16 HH12 ARG 16 5.401 5.298 1.787 22 HH21 ARG 16 HH21 ARG 16 2.569 4.256 -0.138 23 HH22 ARG 16 HH22 ARG 16 3.604 3.904 1.177 24 H HIS 17 H HIS 17 8.025 5.308 -4.362 25 HA HIS 17 HA HIS 17 6.943 4.120 -6.709 26 HB2 HIS 17 HB2 HIS 17 8.701 5.836 -6.931 27 HB3 HIS 17 HB3 HIS 17 9.809 4.819 -6.025 28 HD1 HIS 17 HD1 HIS 17 11.371 3.548 -7.506 29 HD2 HIS 17 HD2 HIS 17 7.743 4.176 -9.384 30 HE1 HIS 17 HE1 HIS 17 11.684 2.854 -9.910 31 H ALA 18 H ALA 18 8.009 3.056 -3.742 32 HA ALA 18 HA ALA 18 9.696 0.896 -4.024 33 HB1 ALA 18 HB1 ALA 18 7.408 0.934 -2.078 34 HB2 ALA 18 HB2 ALA 18 8.898 1.867 -1.898 35 HB3 ALA 18 HB3 ALA 18 8.964 0.107 -1.924 36 H ALA 19 H ALA 19 6.549 0.853 -5.249 37 HA ALA 19 HA ALA 19 6.170 -1.915 -5.539 38 HB1 ALA 19 HB1 ALA 19 4.477 -0.259 -6.225 39 HB2 ALA 19 HB2 ALA 19 4.890 -1.324 -7.571 40 HB3 ALA 19 HB3 ALA 19 5.550 0.310 -7.503 41 H ASP 20 H ASP 20 8.521 0.289 -6.829 42 HA ASP 20 HA ASP 20 9.544 -0.855 -9.034 43 HB2 ASP 20 HB2 ASP 20 11.868 -0.072 -8.204 44 HB3 ASP 20 HB3 ASP 20 10.612 1.135 -8.379 45 H TYR 21 H TYR 21 10.283 -1.732 -5.718 46 HA TYR 21 HA TYR 21 11.993 -3.889 -5.942 47 HB2 TYR 21 HB2 TYR 21 11.553 -3.119 -3.776 48 HB3 TYR 21 HB3 TYR 21 9.811 -3.274 -3.964 49 HD1 TYR 21 HD1 TYR 21 12.824 -5.520 -4.141 50 HD2 TYR 21 HD2 TYR 21 8.837 -4.967 -2.763 51 HE1 TYR 21 HE1 TYR 21 12.868 -7.753 -3.106 52 HE2 TYR 21 HE2 TYR 21 8.895 -7.173 -1.698 53 HH TYR 21 HH TYR 21 11.757 -8.945 -1.285 54 H GLN 22 H GLN 22 8.563 -3.908 -6.622 55 HA GLN 22 HA GLN 22 8.343 -6.758 -6.710 56 HB2 GLN 22 HB2 GLN 22 6.341 -5.292 -6.573 57 HB3 GLN 22 HB3 GLN 22 6.681 -4.679 -8.174 58 HG2 GLN 22 HG2 GLN 22 6.110 -7.592 -7.713 59 HG3 GLN 22 HG3 GLN 22 4.803 -6.429 -7.846 60 HE21 GLN 22 HE21 GLN 22 7.241 -8.227 -9.596 61 HE22 GLN 22 HE22 GLN 22 6.751 -7.815 -11.172 62 H GLN 23 H GLN 23 8.892 -4.319 -9.174 63 HA GLN 23 HA GLN 23 9.215 -6.027 -11.402 64 HB2 GLN 23 HB2 GLN 23 10.439 -3.315 -10.849 65 HB3 GLN 23 HB3 GLN 23 10.363 -4.089 -12.420 66 HG2 GLN 23 HG2 GLN 23 7.939 -3.295 -10.811 67 HG3 GLN 23 HG3 GLN 23 8.679 -2.281 -12.046 68 HE21 GLN 23 HE21 GLN 23 6.735 -5.123 -11.437 69 HE22 GLN 23 HE22 GLN 23 6.280 -5.385 -13.050 70 H LEU 24 H LEU 24 11.411 -4.670 -9.047 71 HA LEU 24 HA LEU 24 13.891 -5.564 -10.005 72 HB2 LEU 24 HB2 LEU 24 13.508 -3.905 -8.186 73 HB3 LEU 24 HB3 LEU 24 12.956 -5.213 -7.163 74 HG LEU 24 HG LEU 24 15.243 -6.214 -7.345 75 HD11 LEU 24 HD11 LEU 24 15.901 -3.549 -8.571 76 HD12 LEU 24 HD12 LEU 24 15.992 -5.128 -9.358 77 HD13 LEU 24 HD13 LEU 24 17.070 -4.747 -8.017 78 HD21 LEU 24 HD21 LEU 24 14.541 -5.010 -5.387 79 HD22 LEU 24 HD22 LEU 24 14.981 -3.468 -6.129 80 HD23 LEU 24 HD23 LEU 24 16.232 -4.650 -5.730 81 H ARG 25 H ARG 25 11.849 -6.974 -7.449 82 HA ARG 25 HA ARG 25 13.287 -9.185 -6.715 83 HB2 ARG 25 HB2 ARG 25 10.755 -8.159 -6.199 84 HB3 ARG 25 HB3 ARG 25 10.414 -9.736 -6.877 85 HG2 ARG 25 HG2 ARG 25 12.073 -9.122 -4.450 86 HG3 ARG 25 HG3 ARG 25 10.469 -9.861 -4.500 87 HD2 ARG 25 HD2 ARG 25 11.440 -11.804 -5.681 88 HD3 ARG 25 HD3 ARG 25 12.986 -10.929 -5.619 89 HE ARG 25 HE ARG 25 12.928 -11.143 -3.194 90 HH11 ARG 25 HH11 ARG 25 10.813 -13.369 -4.876 91 HH12 ARG 25 HH12 ARG 25 11.129 -14.681 -3.808 92 HH21 ARG 25 HH21 ARG 25 13.377 -12.784 -1.864 93 HH22 ARG 25 HH22 ARG 25 12.722 -14.365 -1.974 94 H GLU 26 H GLU 26 10.747 -8.960 -9.086 95 HA GLU 26 HA GLU 26 10.500 -11.496 -10.108 96 HB2 GLU 26 HB2 GLU 26 9.013 -9.584 -10.430 97 HB3 GLU 26 HB3 GLU 26 10.254 -8.759 -11.342 98 HG2 GLU 26 HG2 GLU 26 10.107 -10.745 -12.914 99 HG3 GLU 26 HG3 GLU 26 8.568 -11.072 -12.094 100 H ARG 27 H ARG 27 12.572 -8.829 -11.192 101 HA ARG 27 HA ARG 27 13.448 -10.419 -13.365 102 HB2 ARG 27 HB2 ARG 27 14.005 -7.580 -12.673 103 HB3 ARG 27 HB3 ARG 27 14.591 -8.387 -14.149 104 HG2 ARG 27 HG2 ARG 27 12.412 -9.014 -14.783 105 HG3 ARG 27 HG3 ARG 27 11.754 -8.480 -13.255 106 HD2 ARG 27 HD2 ARG 27 12.485 -6.199 -13.941 107 HD3 ARG 27 HD3 ARG 27 12.720 -6.930 -15.560 108 HE ARG 27 HE ARG 27 10.319 -7.875 -14.846 109 HH11 ARG 27 HH11 ARG 27 11.376 -4.514 -15.115 110 HH12 ARG 27 HH12 ARG 27 9.751 -3.944 -15.152 111 HH21 ARG 27 HH21 ARG 27 8.319 -7.146 -14.872 112 HH22 ARG 27 HH22 ARG 27 7.943 -5.467 -15.003 113 H LEU 28 H LEU 28 14.711 -9.622 -10.256 114 HA LEU 28 HA LEU 28 17.343 -10.386 -10.602 115 HB2 LEU 28 HB2 LEU 28 15.367 -10.442 -8.418 116 HB3 LEU 28 HB3 LEU 28 16.749 -11.498 -8.238 117 HG LEU 28 HG LEU 28 16.932 -9.341 -7.141 118 HD11 LEU 28 HD11 LEU 28 19.255 -8.866 -7.935 119 HD12 LEU 28 HD12 LEU 28 18.935 -9.890 -9.341 120 HD13 LEU 28 HD13 LEU 28 18.936 -10.588 -7.721 121 HD21 LEU 28 HD21 LEU 28 17.460 -7.338 -8.490 122 HD22 LEU 28 HD22 LEU 28 15.811 -7.950 -8.720 123 HD23 LEU 28 HD23 LEU 28 17.036 -8.273 -9.930 124 H ILE 29 H ILE 29 14.562 -12.306 -9.649 125 HA ILE 29 HA ILE 29 15.465 -14.849 -9.678 126 HB ILE 29 HB ILE 29 12.824 -13.606 -10.227 127 HG12 ILE 29 HG12 ILE 29 12.138 -14.962 -8.361 128 HG13 ILE 29 HG11 ILE 29 13.649 -15.857 -8.405 129 HG21 ILE 29 HG21 ILE 29 11.681 -15.716 -10.676 130 HG22 ILE 29 HG22 ILE 29 13.248 -16.523 -10.838 131 HG23 ILE 29 HG23 ILE 29 12.784 -15.263 -11.978 132 HD11 ILE 29 HD11 ILE 29 13.606 -14.206 -6.612 133 HD12 ILE 29 HD12 ILE 29 13.370 -12.936 -7.835 134 HD13 ILE 29 HD13 ILE 29 14.864 -13.904 -7.826 135 H GLN 30 H GLN 30 14.732 -13.014 -12.531 136 HA GLN 30 HA GLN 30 14.792 -15.192 -14.334 137 HB2 GLN 30 HB2 GLN 30 15.264 -12.275 -14.922 138 HB3 GLN 30 HB3 GLN 30 14.744 -13.525 -16.056 139 HG2 GLN 30 HG2 GLN 30 12.678 -13.832 -14.682 140 HG3 GLN 30 HG3 GLN 30 13.249 -12.491 -13.688 141 HE21 GLN 30 HE21 GLN 30 11.315 -11.417 -14.151 142 HE22 GLN 30 HE22 GLN 30 11.062 -10.605 -15.648 143 H GLU 31 H GLU 31 17.217 -12.867 -13.239 144 HA GLU 31 HA GLU 31 19.226 -14.010 -14.983 145 HB2 GLU 31 HB2 GLU 31 19.618 -11.956 -12.818 146 HB3 GLU 31 HB3 GLU 31 20.687 -12.303 -14.173 147 HG2 GLU 31 HG2 GLU 31 18.709 -11.647 -15.651 148 HG3 GLU 31 HG3 GLU 31 18.043 -11.004 -14.138 149 H LEU 32 H LEU 32 18.187 -14.193 -11.687 150 HA LEU 32 HA LEU 32 20.505 -15.396 -10.676 151 HB2 LEU 32 HB2 LEU 32 17.676 -15.345 -9.539 152 HB3 LEU 32 HB3 LEU 32 19.105 -15.897 -8.688 153 HG LEU 32 HG LEU 32 18.467 -13.184 -9.683 154 HD11 LEU 32 HD11 LEU 32 18.510 -12.568 -7.298 155 HD12 LEU 32 HD12 LEU 32 18.805 -14.261 -6.907 156 HD13 LEU 32 HD13 LEU 32 17.285 -13.783 -7.673 157 HD21 LEU 32 HD21 LEU 32 20.521 -12.422 -8.526 158 HD22 LEU 32 HD22 LEU 32 20.759 -13.369 -9.979 159 HD23 LEU 32 HD23 LEU 32 21.012 -14.122 -8.390 160 H ASN 33 H ASN 33 17.859 -16.442 -12.476 161 HA ASN 33 HA ASN 33 17.110 -18.320 -13.366 162 HB2 ASN 33 HB2 ASN 33 19.416 -18.417 -14.282 163 HB3 ASN 33 HB3 ASN 33 19.921 -19.362 -12.890 164 HD21 ASN 33 HD21 ASN 33 20.540 -21.098 -14.090 165 HD22 ASN 33 HD22 ASN 33 19.415 -22.139 -14.912 166 H LEU 34 H LEU 34 15.956 -18.251 -11.248 167 HA LEU 34 HA LEU 34 15.740 -20.871 -10.281 168 HB2 LEU 34 HB2 LEU 34 15.931 -20.065 -7.870 169 HB3 LEU 34 HB3 LEU 34 17.400 -20.449 -8.754 170 HG LEU 34 HG LEU 34 17.757 -18.004 -9.087 171 HD11 LEU 34 HD11 LEU 34 15.462 -17.722 -7.178 172 HD12 LEU 34 HD12 LEU 34 15.470 -17.277 -8.879 173 HD13 LEU 34 HD13 LEU 34 16.513 -16.409 -7.737 174 HD21 LEU 34 HD21 LEU 34 18.522 -17.592 -6.825 175 HD22 LEU 34 HD22 LEU 34 18.836 -19.263 -7.320 176 HD23 LEU 34 HD23 LEU 34 17.490 -18.902 -6.238 177 H THR 35 H THR 35 14.029 -20.591 -8.225 178 HA THR 35 HA THR 35 11.931 -19.046 -9.466 179 HB THR 35 HB THR 35 10.509 -20.440 -7.863 180 HG1 THR 35 HG1 THR 35 11.701 -22.452 -7.301 181 HG21 THR 35 HG21 THR 35 12.138 -21.897 -9.956 182 HG22 THR 35 HG22 THR 35 10.670 -20.966 -10.257 183 HG23 THR 35 HG23 THR 35 10.597 -22.443 -9.296 184 HA PRO 36 HA PRO 36 12.067 -15.928 -6.292 185 HB2 PRO 36 HB2 PRO 36 9.390 -15.436 -5.926 186 HB3 PRO 36 HB3 PRO 36 10.303 -14.840 -7.325 187 HG2 PRO 36 HG2 PRO 36 8.536 -17.222 -7.126 188 HG3 PRO 36 HG3 PRO 36 8.677 -16.027 -8.432 189 HD2 PRO 36 HD2 PRO 36 9.814 -18.425 -8.648 190 HD3 PRO 36 HD3 PRO 36 10.605 -16.968 -9.281 191 H GLN 37 H GLN 37 11.062 -18.842 -5.704 192 HA GLN 37 HA GLN 37 9.994 -18.394 -2.989 193 HB2 GLN 37 HB2 GLN 37 9.174 -20.701 -2.997 194 HB3 GLN 37 HB3 GLN 37 8.537 -19.792 -4.361 195 HG2 GLN 37 HG2 GLN 37 10.106 -20.794 -5.825 196 HG3 GLN 37 HG3 GLN 37 10.895 -21.588 -4.461 197 HE21 GLN 37 HE21 GLN 37 9.954 -23.354 -3.533 198 HE22 GLN 37 HE22 GLN 37 8.636 -24.216 -4.266 199 H GLN 38 H GLN 38 12.649 -19.793 -4.778 200 HA GLN 38 HA GLN 38 13.724 -20.961 -2.324 201 HB2 GLN 38 HB2 GLN 38 14.707 -21.190 -5.181 202 HB3 GLN 38 HB3 GLN 38 15.351 -22.052 -3.799 203 HG2 GLN 38 HG2 GLN 38 12.658 -22.398 -5.074 204 HG3 GLN 38 HG3 GLN 38 14.006 -23.531 -5.124 205 HE21 GLN 38 HE21 GLN 38 14.511 -24.671 -3.203 206 HE22 GLN 38 HE22 GLN 38 13.324 -24.869 -1.956 207 H LEU 39 H LEU 39 13.427 -18.166 -3.075 208 HA LEU 39 HA LEU 39 16.203 -17.412 -3.351 209 HB2 LEU 39 HB2 LEU 39 14.913 -17.082 -5.337 210 HB3 LEU 39 HB3 LEU 39 13.796 -16.008 -4.497 211 HG LEU 39 HG LEU 39 15.428 -15.173 -6.065 212 HD11 LEU 39 HD11 LEU 39 15.603 -13.979 -3.249 213 HD12 LEU 39 HD12 LEU 39 14.372 -13.608 -4.472 214 HD13 LEU 39 HD13 LEU 39 16.035 -13.107 -4.729 215 HD21 LEU 39 HD21 LEU 39 17.740 -14.671 -5.252 216 HD22 LEU 39 HD22 LEU 39 17.404 -16.386 -5.518 217 HD23 LEU 39 HD23 LEU 39 17.428 -15.724 -3.878 218 H HIS 40 H HIS 40 16.929 -16.183 -2.011 219 HA HIS 40 HA HIS 40 15.577 -15.859 0.472 220 HB2 HIS 40 HB2 HIS 40 18.099 -15.166 0.971 221 HB3 HIS 40 HB3 HIS 40 17.538 -16.848 0.923 222 HD1 HIS 40 HD1 HIS 40 19.548 -14.301 -0.969 223 HD2 HIS 40 HD2 HIS 40 18.604 -18.330 -1.166 224 HE1 HIS 40 HE1 HIS 40 21.033 -15.319 -2.787 225 H GLU 41 H GLU 41 14.716 -14.119 1.132 226 HA GLU 41 HA GLU 41 15.555 -11.462 0.271 227 HB2 GLU 41 HB2 GLU 41 13.389 -12.390 2.152 228 HB3 GLU 41 HB3 GLU 41 13.815 -10.697 1.971 229 HG2 GLU 41 HG2 GLU 41 12.750 -12.534 -0.146 230 HG3 GLU 41 HG3 GLU 41 11.907 -11.191 0.628 231 H GLU 42 H GLU 42 16.075 -13.707 2.742 232 HA GLU 42 HA GLU 42 17.326 -11.739 4.477 233 HB2 GLU 42 HB2 GLU 42 17.375 -13.953 6.016 234 HB3 GLU 42 HB3 GLU 42 16.042 -12.820 5.999 235 HG2 GLU 42 HG2 GLU 42 15.435 -15.283 5.930 236 HG3 GLU 42 HG3 GLU 42 14.690 -14.268 4.702 237 H SER 43 H SER 43 18.011 -14.751 2.774 238 HA SER 43 HA SER 43 20.704 -14.681 3.731 239 HB2 SER 43 HB2 SER 43 19.446 -16.491 1.654 240 HB3 SER 43 HB3 SER 43 21.060 -16.674 2.312 241 HG SER 43 HG SER 43 18.616 -16.813 3.816 242 H ASN 44 H ASN 44 22.497 -14.778 2.234 243 HA ASN 44 HA ASN 44 22.611 -12.254 0.971 244 HB2 ASN 44 HB2 ASN 44 24.498 -13.423 2.239 245 HB3 ASN 44 HB3 ASN 44 24.681 -14.429 0.803 246 HD21 ASN 44 HD21 ASN 44 26.551 -12.563 2.086 247 HD22 ASN 44 HD22 ASN 44 26.996 -11.459 0.838 248 H LEU 45 H LEU 45 22.111 -11.670 -0.955 249 HA LEU 45 HA LEU 45 21.274 -13.393 -2.986 250 HB2 LEU 45 HB2 LEU 45 22.072 -10.509 -3.164 251 HB3 LEU 45 HB3 LEU 45 21.311 -11.398 -4.459 252 HG LEU 45 HG LEU 45 20.089 -10.827 -1.776 253 HD11 LEU 45 HD11 LEU 45 20.377 -8.849 -3.206 254 HD12 LEU 45 HD12 LEU 45 18.686 -9.278 -2.990 255 HD13 LEU 45 HD13 LEU 45 19.508 -9.677 -4.502 256 HD21 LEU 45 HD21 LEU 45 19.247 -12.916 -2.720 257 HD22 LEU 45 HD22 LEU 45 18.928 -12.108 -4.253 258 HD23 LEU 45 HD23 LEU 45 18.016 -11.658 -2.815 259 H ILE 46 H ILE 46 24.422 -12.207 -2.224 260 HA ILE 46 HA ILE 46 25.572 -12.506 -4.839 261 HB ILE 46 HB ILE 46 27.013 -12.410 -2.152 262 HG12 ILE 46 HG12 ILE 46 25.542 -10.468 -2.332 263 HG13 ILE 46 HG11 ILE 46 27.226 -9.984 -2.426 264 HG21 ILE 46 HG21 ILE 46 28.523 -13.026 -4.000 265 HG22 ILE 46 HG22 ILE 46 28.870 -11.375 -3.438 266 HG23 ILE 46 HG23 ILE 46 27.962 -11.616 -4.915 267 HD11 ILE 46 HD11 ILE 46 25.865 -8.733 -3.976 268 HD12 ILE 46 HD12 ILE 46 25.313 -10.231 -4.734 269 HD13 ILE 46 HD13 ILE 46 27.006 -9.754 -4.856 270 H GLN 47 H GLN 47 24.469 -14.652 -2.565 271 HA GLN 47 HA GLN 47 26.332 -16.752 -3.202 272 HB2 GLN 47 HB2 GLN 47 23.876 -16.751 -1.482 273 HB3 GLN 47 HB3 GLN 47 24.908 -18.164 -1.704 274 HG2 GLN 47 HG2 GLN 47 25.806 -15.516 -0.586 275 HG3 GLN 47 HG3 GLN 47 25.401 -16.936 0.383 276 HE21 GLN 47 HE21 GLN 47 27.687 -15.569 -1.909 277 HE22 GLN 47 HE22 GLN 47 28.945 -16.703 -1.568 278 H ALA 48 H ALA 48 23.628 -15.397 -4.547 279 HA ALA 48 HA ALA 48 22.917 -17.810 -6.055 280 HB1 ALA 48 HB1 ALA 48 20.964 -16.440 -6.883 281 HB2 ALA 48 HB2 ALA 48 21.504 -15.095 -5.892 282 HB3 ALA 48 HB3 ALA 48 20.945 -16.576 -5.135 283 H GLY 49 H GLY 49 22.399 -16.836 -8.572 284 HA2 GLY 49 HA2 GLY 49 25.082 -16.073 -9.361 285 HA3 GLY 49 HA3 GLY 49 23.738 -16.413 -10.446 286 H LEU 50 H LEU 50 25.288 -13.975 -8.463 287 HA LEU 50 HA LEU 50 23.981 -11.898 -10.005 288 HB2 LEU 50 HB2 LEU 50 22.751 -12.115 -7.924 289 HB3 LEU 50 HB3 LEU 50 24.237 -12.128 -7.005 290 HG LEU 50 HG LEU 50 24.655 -9.837 -7.663 291 HD11 LEU 50 HD11 LEU 50 23.382 -9.761 -9.748 292 HD12 LEU 50 HD12 LEU 50 22.814 -8.499 -8.654 293 HD13 LEU 50 HD13 LEU 50 21.875 -9.979 -8.859 294 HD21 LEU 50 HD21 LEU 50 23.530 -10.359 -5.552 295 HD22 LEU 50 HD22 LEU 50 21.967 -10.233 -6.360 296 HD23 LEU 50 HD23 LEU 50 23.001 -8.813 -6.206 297 H ASP 51 H ASP 51 25.614 -11.071 -11.029 298 HA ASP 51 HA ASP 51 28.254 -10.862 -9.819 299 HB2 ASP 51 HB2 ASP 51 28.940 -10.235 -12.143 300 HB3 ASP 51 HB3 ASP 51 28.284 -11.855 -11.989 301 H 4HJ 52 H 4HJ 52 29.025 -8.616 -11.579 302 HA 4HJ 52 HA 4HJ 52 27.949 -6.601 -9.804 303 HAA 4HJ 52 HAA 4HJ 52 29.035 -7.951 -8.035 304 HB3 4HJ 52 HB3 4HJ 52 29.944 -5.308 -10.543 305 HB2 4HJ 52 HB2 4HJ 52 30.392 -6.819 -9.748 306 HZ1 4HJ 52 HZ1 4HJ 52 27.720 -5.992 -7.376 307 HZ2 4HJ 52 HZ2 4HJ 52 31.378 -8.155 -7.400 308 HZ 4HJ 52 HZ 4HJ 52 29.091 -3.404 -5.346 309 HJ2 4HJ 52 HJ2 4HJ 52 32.748 -3.478 -12.030 310 HJ3 4HJ 52 HJ3 4HJ 52 31.054 -3.684 -11.593 311 HL12 4HJ 52 HL12 4HJ 52 30.285 -3.170 -9.351 312 HL11 4HJ 52 HL11 4HJ 52 31.372 -3.034 -8.001 313 HL13 4HJ 52 HL13 4HJ 52 31.226 -4.572 -8.936 314 HL22 4HJ 52 HL22 4HJ 52 32.679 -1.207 -11.065 315 HL21 4HJ 52 HL21 4HJ 52 31.058 -1.388 -10.437 316 HL23 4HJ 52 HL23 4HJ 52 32.299 -0.976 -9.304 317 HM 4HJ 52 HM 4HJ 52 34.577 -3.465 -11.155 318 HN 4HJ 52 HN 4HJ 52 34.712 -0.748 -8.322 319 HL3 4HJ 52 HL3 4HJ 52 33.897 -4.372 -9.248 320 HO2 4HJ 52 HO2 4HJ 52 36.728 -2.888 -8.111 321 HO3 4HJ 52 HO3 4HJ 52 36.969 -1.236 -8.455 322 HP2 4HJ 52 HP2 4HJ 52 36.139 -0.792 -5.990 323 HP3 4HJ 52 HP3 4HJ 52 37.820 -1.333 -6.288 324 HS2 4HJ 52 HS2 4HJ 52 34.985 -1.529 -3.619 325 HS3 4HJ 52 HS3 4HJ 52 35.289 -3.161 -2.928 326 HT3 4HJ 52 HT3 4HJ 52 32.878 -2.135 -4.403 327 HT2 4HJ 52 HT2 4HJ 52 32.885 -2.721 -2.751 328 HY2 4HJ 52 HY2 4HJ 52 32.466 -6.329 -5.990 329 HR 4HJ 52 HR 4HJ 52 34.782 -3.574 -5.558 330 H ILE 53 H ILE 53 27.655 -7.756 -12.881 331 HA ILE 53 HA ILE 53 27.245 -5.153 -13.979 332 HB ILE 53 HB ILE 53 28.207 -7.408 -15.127 333 HG12 ILE 53 HG12 ILE 53 28.481 -5.251 -16.011 334 HG13 ILE 53 HG11 ILE 53 27.862 -6.340 -17.258 335 HG21 ILE 53 HG21 ILE 53 26.112 -8.643 -15.163 336 HG22 ILE 53 HG22 ILE 53 26.612 -8.260 -16.811 337 HG23 ILE 53 HG23 ILE 53 25.326 -7.330 -16.040 338 HD11 ILE 53 HD11 ILE 53 26.304 -4.275 -15.718 339 HD12 ILE 53 HD12 ILE 53 25.600 -5.402 -16.849 340 HD13 ILE 53 HD13 ILE 53 26.743 -4.156 -17.432 341 H ARG 54 H ARG 54 25.499 -7.966 -13.015 342 HA ARG 54 HA ARG 54 22.865 -6.982 -13.499 343 HB2 ARG 54 HB2 ARG 54 24.044 -8.991 -11.638 344 HB3 ARG 54 HB3 ARG 54 22.411 -8.420 -11.341 345 HG2 ARG 54 HG2 ARG 54 22.349 -10.467 -12.563 346 HG3 ARG 54 HG3 ARG 54 21.778 -9.157 -13.585 347 HD2 ARG 54 HD2 ARG 54 24.045 -9.072 -14.613 348 HD3 ARG 54 HD3 ARG 54 24.451 -10.509 -13.648 349 HE ARG 54 HE ARG 54 22.105 -10.536 -15.365 350 HH11 ARG 54 HH11 ARG 54 25.390 -11.789 -14.731 351 HH12 ARG 54 HH12 ARG 54 25.251 -13.099 -15.771 352 HH21 ARG 54 HH21 ARG 54 21.897 -12.318 -16.767 353 HH22 ARG 54 HH22 ARG 54 23.170 -13.445 -16.998 354 H LEU 55 H LEU 55 24.981 -6.880 -10.688 355 HA LEU 55 HA LEU 55 23.132 -5.420 -9.179 356 HB2 LEU 55 HB2 LEU 55 24.928 -6.949 -8.301 357 HB3 LEU 55 HB3 LEU 55 26.086 -5.697 -8.675 358 HG LEU 55 HG LEU 55 23.812 -5.121 -6.788 359 HD11 LEU 55 HD11 LEU 55 25.240 -5.815 -4.931 360 HD12 LEU 55 HD12 LEU 55 26.452 -6.408 -6.058 361 HD13 LEU 55 HD13 LEU 55 24.872 -7.178 -5.984 362 HD21 LEU 55 HD21 LEU 55 26.645 -4.122 -6.980 363 HD22 LEU 55 HD22 LEU 55 25.413 -3.533 -5.867 364 HD23 LEU 55 HD23 LEU 55 25.231 -3.293 -7.610 365 H MET 56 H MET 56 25.917 -4.313 -11.181 366 HA MET 56 HA MET 56 25.572 -1.642 -10.261 367 HB2 MET 56 HB2 MET 56 27.558 -2.875 -11.655 368 HB3 MET 56 HB3 MET 56 26.765 -1.958 -12.931 369 HG2 MET 56 HG2 MET 56 28.250 -0.399 -12.228 370 HG3 MET 56 HG3 MET 56 26.906 -0.018 -11.161 371 HE1 MET 56 HE1 MET 56 26.819 -1.376 -8.544 372 HE2 MET 56 HE2 MET 56 28.269 -2.092 -7.867 373 HE3 MET 56 HE3 MET 56 27.441 -2.883 -9.200 374 H ARG 57 H ARG 57 24.051 -3.558 -12.694 375 HA ARG 57 HA ARG 57 22.799 -1.437 -14.238 376 HB2 ARG 57 HB2 ARG 57 23.003 -3.949 -14.725 377 HB3 ARG 57 HB3 ARG 57 21.563 -4.036 -13.702 378 HG2 ARG 57 HG2 ARG 57 20.797 -2.007 -15.165 379 HG3 ARG 57 HG3 ARG 57 21.933 -2.705 -16.324 380 HD2 ARG 57 HD2 ARG 57 19.862 -4.042 -14.856 381 HD3 ARG 57 HD3 ARG 57 19.660 -3.463 -16.536 382 HE ARG 57 HE ARG 57 21.588 -5.033 -17.030 383 HH11 ARG 57 HH11 ARG 57 19.380 -5.790 -14.328 384 HH12 ARG 57 HH12 ARG 57 19.610 -7.477 -14.488 385 HH21 ARG 57 HH21 ARG 57 21.843 -7.425 -17.168 386 HH22 ARG 57 HH22 ARG 57 20.942 -8.381 -16.080 387 H TRP 58 H TRP 58 21.862 -3.380 -11.518 388 HA TRP 58 HA TRP 58 19.349 -2.084 -10.949 389 HB2 TRP 58 HB2 TRP 58 21.268 -3.354 -8.992 390 HB3 TRP 58 HB3 TRP 58 19.565 -2.974 -8.726 391 HD1 TRP 58 HD1 TRP 58 21.345 -5.897 -9.028 392 HE1 TRP 58 HE1 TRP 58 20.155 -7.778 -10.355 393 HE3 TRP 58 HE3 TRP 58 17.749 -3.120 -11.411 394 HZ2 TRP 58 HZ2 TRP 58 18.044 -8.039 -12.122 395 HZ3 TRP 58 HZ3 TRP 58 16.177 -4.273 -12.886 396 HH2 TRP 58 HH2 TRP 58 16.294 -6.674 -13.231 397 H LEU 59 H LEU 59 22.530 -1.287 -9.865 398 HA LEU 59 HA LEU 59 21.952 0.872 -8.288 399 HB2 LEU 59 HB2 LEU 59 24.219 0.136 -9.972 400 HB3 LEU 59 HB3 LEU 59 24.097 1.839 -9.593 401 HG LEU 59 HG LEU 59 25.542 0.605 -8.062 402 HD11 LEU 59 HD11 LEU 59 24.336 2.645 -7.444 403 HD12 LEU 59 HD12 LEU 59 24.639 1.609 -6.043 404 HD13 LEU 59 HD13 LEU 59 23.023 1.683 -6.772 405 HD21 LEU 59 HD21 LEU 59 24.295 -1.490 -8.159 406 HD22 LEU 59 HD22 LEU 59 22.986 -0.749 -7.255 407 HD23 LEU 59 HD23 LEU 59 24.582 -0.961 -6.501 408 H HIS 60 H HIS 60 22.618 1.086 -11.742 409 HA HIS 60 HA HIS 60 21.989 3.830 -11.584 410 HB2 HIS 60 HB2 HIS 60 22.623 4.019 -13.912 411 HB3 HIS 60 HB3 HIS 60 23.730 3.037 -12.949 412 HD1 HIS 60 HD1 HIS 60 24.512 0.941 -14.097 413 HD2 HIS 60 HD2 HIS 60 20.817 2.195 -15.521 414 HE1 HIS 60 HE1 HIS 60 23.974 -0.540 -16.054 415 H TRP 61 H TRP 61 20.145 1.072 -12.180 416 HA TRP 61 HA TRP 61 17.990 2.212 -13.568 417 HB2 TRP 61 HB2 TRP 61 18.315 -0.227 -13.262 418 HB3 TRP 61 HB3 TRP 61 18.038 -0.036 -11.542 419 HD1 TRP 61 HD1 TRP 61 16.014 0.773 -14.782 420 HE1 TRP 61 HE1 TRP 61 13.560 0.121 -14.364 421 HE3 TRP 61 HE3 TRP 61 16.421 -0.838 -9.978 422 HZ2 TRP 61 HZ2 TRP 61 11.993 -0.958 -12.256 423 HZ3 TRP 61 HZ3 TRP 61 14.404 -1.676 -8.819 424 HH2 TRP 61 HH2 TRP 61 12.241 -1.729 -9.944 425 H PHE 62 H PHE 62 18.390 1.599 -10.060 426 HA PHE 62 HA PHE 62 16.253 3.393 -9.604 427 HB2 PHE 62 HB2 PHE 62 17.037 3.030 -7.021 428 HB3 PHE 62 HB3 PHE 62 15.876 2.027 -7.874 429 HD1 PHE 62 HD2 PHE 62 19.418 2.360 -6.951 430 HD2 PHE 62 HD1 PHE 62 16.244 -0.156 -8.142 431 HE1 PHE 62 HE2 PHE 62 20.844 0.338 -6.537 432 HE2 PHE 62 HE1 PHE 62 17.593 -2.140 -7.765 433 HZ PHE 62 HZ PHE 62 19.868 -1.942 -7.052 434 H ARG 63 H ARG 63 19.631 3.867 -9.622 435 HA ARG 63 HA ARG 63 19.643 6.312 -8.239 436 HB2 ARG 63 HB2 ARG 63 21.291 5.469 -10.638 437 HB3 ARG 63 HB3 ARG 63 21.521 7.003 -9.836 438 HG2 ARG 63 HG2 ARG 63 21.866 4.305 -8.535 439 HG3 ARG 63 HG3 ARG 63 23.171 5.306 -9.166 440 HD2 ARG 63 HD2 ARG 63 21.293 5.998 -6.910 441 HD3 ARG 63 HD3 ARG 63 22.994 5.569 -6.760 442 HE ARG 63 HE ARG 63 22.108 7.941 -8.245 443 HH11 ARG 63 HH11 ARG 63 24.219 6.514 -5.748 444 HH12 ARG 63 HH12 ARG 63 25.020 7.945 -5.371 445 HH21 ARG 63 HH21 ARG 63 23.231 9.963 -7.726 446 HH22 ARG 63 HH22 ARG 63 24.447 9.983 -6.538 447 H LYS 64 H LYS 64 18.692 5.452 -11.495 448 HA LYS 64 HA LYS 64 18.162 8.114 -12.431 449 HB2 LYS 64 HB2 LYS 64 18.701 5.874 -13.706 450 HB3 LYS 64 HB3 LYS 64 16.997 5.557 -13.563 451 HG2 LYS 64 HG2 LYS 64 18.209 7.942 -14.985 452 HG3 LYS 64 HG3 LYS 64 17.735 6.455 -15.772 453 HD2 LYS 64 HD2 LYS 64 15.852 8.342 -14.331 454 HD3 LYS 64 HD3 LYS 64 16.132 8.348 -16.064 455 HE2 LYS 64 HE2 LYS 64 14.087 7.181 -15.724 456 HE3 LYS 64 HE3 LYS 64 15.288 5.947 -16.074 457 HZ1 LYS 64 HZ1 LYS 64 15.342 5.333 -13.750 458 HZ2 LYS 64 HZ2 LYS 64 13.711 5.462 -14.134 459 HZ3 LYS 64 HZ3 LYS 64 14.492 6.705 -13.335 460 H ASN 65 H ASN 65 16.629 6.018 -10.277 461 HA ASN 65 HA ASN 65 13.957 7.124 -10.778 462 HB2 ASN 65 HB2 ASN 65 14.785 4.885 -8.899 463 HB3 ASN 65 HB3 ASN 65 13.139 5.449 -9.126 464 HD21 ASN 65 HD21 ASN 65 14.151 2.798 -9.474 465 HD22 ASN 65 HD22 ASN 65 13.889 2.360 -11.116 466 H GLY 66 H GLY 66 16.608 8.065 -9.281 467 HA2 GLY 66 HA2 GLY 66 16.766 9.922 -7.904 468 HA3 GLY 66 HA3 GLY 66 15.096 9.685 -7.424 469 H TYR 67 H TYR 67 17.085 6.856 -7.199 470 HA TYR 67 HA TYR 67 16.934 7.188 -4.339 471 HB2 TYR 67 HB2 TYR 67 17.579 4.794 -6.032 472 HB3 TYR 67 HB3 TYR 67 17.649 4.788 -4.269 473 HD1 TYR 67 HD1 TYR 67 15.551 5.532 -3.043 474 HD2 TYR 67 HD2 TYR 67 15.546 4.325 -7.080 475 HE1 TYR 67 HE1 TYR 67 13.166 5.073 -2.871 476 HE2 TYR 67 HE2 TYR 67 13.137 3.846 -6.948 477 HH TYR 67 HH TYR 67 11.529 3.280 -5.204 478 H ARG 68 H ARG 68 18.567 7.315 -2.981 479 HA ARG 68 HA ARG 68 21.091 8.057 -4.195 480 HB2 ARG 68 HB2 ARG 68 20.006 8.492 -1.429 481 HB3 ARG 68 HB3 ARG 68 21.601 8.992 -1.951 482 HG2 ARG 68 HG2 ARG 68 20.702 10.950 -2.523 483 HG3 ARG 68 HG3 ARG 68 19.906 10.113 -3.841 484 HD2 ARG 68 HD2 ARG 68 18.683 10.353 -1.087 485 HD3 ARG 68 HD3 ARG 68 18.399 11.528 -2.360 486 HE ARG 68 HE ARG 68 17.514 9.513 -3.651 487 HH11 ARG 68 HH11 ARG 68 17.140 9.953 -0.163 488 HH12 ARG 68 HH12 ARG 68 15.771 8.993 -0.010 489 HH21 ARG 68 HH21 ARG 68 15.556 8.288 -3.513 490 HH22 ARG 68 HH22 ARG 68 14.811 8.004 -1.999 491 H LEU 69 H LEU 69 21.921 5.983 -4.578 492 HA LEU 69 HA LEU 69 22.952 4.594 -2.166 493 HB2 LEU 69 HB2 LEU 69 21.949 3.230 -4.645 494 HB3 LEU 69 HB3 LEU 69 22.701 2.468 -3.269 495 HG LEU 69 HG LEU 69 19.986 3.795 -3.272 496 HD11 LEU 69 HD11 LEU 69 19.998 1.661 -4.433 497 HD12 LEU 69 HD12 LEU 69 19.146 1.532 -2.895 498 HD13 LEU 69 HD13 LEU 69 20.782 0.897 -3.051 499 HD21 LEU 69 HD21 LEU 69 21.087 4.104 -1.138 500 HD22 LEU 69 HD22 LEU 69 21.471 2.382 -1.052 501 HD23 LEU 69 HD23 LEU 69 19.790 2.923 -0.987 502 H THR 70 H THR 70 24.852 4.100 -2.091 503 HA THR 70 HA THR 70 26.532 4.629 -4.393 504 HB THR 70 HB THR 70 27.569 3.803 -1.676 505 HG1 THR 70 HG1 THR 70 26.451 5.346 -0.862 506 HG21 THR 70 HG21 THR 70 29.347 5.421 -2.218 507 HG22 THR 70 HG22 THR 70 28.501 5.862 -3.699 508 HG23 THR 70 HG23 THR 70 29.167 4.241 -3.514 509 H LEU 71 H LEU 71 28.454 2.746 -4.082 510 HA LEU 71 HA LEU 71 27.001 0.505 -5.086 511 HB2 LEU 71 HB2 LEU 71 29.984 0.864 -4.944 512 HB3 LEU 71 HB3 LEU 71 29.121 -0.408 -5.787 513 HG LEU 71 HG LEU 71 29.814 1.142 -7.445 514 HD11 LEU 71 HD11 LEU 71 27.701 1.970 -8.363 515 HD12 LEU 71 HD12 LEU 71 26.916 1.560 -6.828 516 HD13 LEU 71 HD13 LEU 71 27.645 0.298 -7.821 517 HD21 LEU 71 HD21 LEU 71 28.511 3.305 -5.828 518 HD22 LEU 71 HD22 LEU 71 29.269 3.531 -7.411 519 HD23 LEU 71 HD23 LEU 71 30.255 3.088 -6.005 520 H ARG 72 H ARG 72 28.678 1.122 -2.126 521 HA ARG 72 HA ARG 72 29.160 -1.663 -1.672 522 HB2 ARG 72 HB2 ARG 72 30.211 -0.890 0.427 523 HB3 ARG 72 HB3 ARG 72 30.978 -0.291 -1.032 524 HG2 ARG 72 HG2 ARG 72 30.973 1.576 0.340 525 HG3 ARG 72 HG3 ARG 72 29.496 1.820 -0.589 526 HD2 ARG 72 HD2 ARG 72 28.472 0.446 1.456 527 HD3 ARG 72 HD3 ARG 72 29.863 1.152 2.282 528 HE ARG 72 HE ARG 72 27.917 2.716 0.763 529 HH11 ARG 72 HH11 ARG 72 29.861 2.368 3.709 530 HH12 ARG 72 HH12 ARG 72 29.197 3.739 4.475 531 HH21 ARG 72 HH21 ARG 72 26.996 4.471 1.763 532 HH22 ARG 72 HH22 ARG 72 27.469 5.047 3.304 533 H GLU 73 H GLU 73 26.763 0.633 -0.867 534 HA GLU 73 HA GLU 73 25.507 -0.213 1.359 535 HB2 GLU 73 HB2 GLU 73 24.546 0.707 -1.331 536 HB3 GLU 73 HB3 GLU 73 23.428 0.368 -0.032 537 HG2 GLU 73 HG2 GLU 73 23.869 2.681 -0.349 538 HG3 GLU 73 HG3 GLU 73 24.362 2.149 1.278 539 H LEU 74 H LEU 74 25.145 -1.331 -1.866 540 HA LEU 74 HA LEU 74 23.158 -3.327 -1.532 541 HB2 LEU 74 HB2 LEU 74 25.275 -3.234 -3.697 542 HB3 LEU 74 HB3 LEU 74 23.819 -4.182 -3.735 543 HG LEU 74 HG LEU 74 23.483 -2.405 -5.184 544 HD11 LEU 74 HD11 LEU 74 22.115 -1.662 -2.632 545 HD12 LEU 74 HD12 LEU 74 21.575 -2.847 -3.821 546 HD13 LEU 74 HD13 LEU 74 21.649 -1.134 -4.254 547 HD21 LEU 74 HD21 LEU 74 24.343 -0.483 -3.044 548 HD22 LEU 74 HD22 LEU 74 23.928 -0.083 -4.715 549 HD23 LEU 74 HD23 LEU 74 25.362 -1.047 -4.360 550 H TYR 75 H TYR 75 26.533 -3.299 -1.120 551 HA TYR 75 HA TYR 75 26.772 -6.170 -1.322 552 HB2 TYR 75 HB2 TYR 75 28.339 -4.125 -2.143 553 HB3 TYR 75 HB3 TYR 75 29.120 -4.569 -0.626 554 HD1 TYR 75 HD1 TYR 75 27.551 -6.254 -3.503 555 HD2 TYR 75 HD2 TYR 75 30.800 -6.074 -0.814 556 HE1 TYR 75 HE1 TYR 75 28.591 -8.169 -4.672 557 HE2 TYR 75 HE2 TYR 75 31.878 -7.998 -1.950 558 HH TYR 75 HH TYR 75 30.800 -9.120 -4.970 559 H ALA 76 H ALA 76 26.587 -3.674 1.056 560 HA ALA 76 HA ALA 76 27.834 -5.058 3.200 561 HB1 ALA 76 HB1 ALA 76 26.774 -3.370 4.633 562 HB2 ALA 76 HB2 ALA 76 25.771 -2.849 3.279 563 HB3 ALA 76 HB3 ALA 76 27.517 -2.621 3.220 564 H ALA 77 H ALA 77 24.546 -4.778 2.033 565 HA ALA 77 HA ALA 77 23.919 -7.234 3.445 566 HB1 ALA 77 HB1 ALA 77 21.745 -6.380 4.199 567 HB2 ALA 77 HB2 ALA 77 22.134 -4.791 3.543 568 HB3 ALA 77 HB3 ALA 77 23.062 -5.436 4.895 569 HA PRO 78 HA PRO 78 22.544 -7.210 -0.908 570 HB2 PRO 78 HB2 PRO 78 23.675 -9.855 -1.153 571 HB3 PRO 78 HB3 PRO 78 24.206 -8.364 -1.957 572 HG2 PRO 78 HG2 PRO 78 25.702 -9.634 -0.087 573 HG3 PRO 78 HG3 PRO 78 25.776 -7.886 -0.388 574 HD2 PRO 78 HD2 PRO 78 24.339 -9.354 1.780 575 HD3 PRO 78 HD3 PRO 78 25.275 -7.842 1.857 576 H THR 79 H THR 79 20.499 -7.326 -0.060 577 HA THR 79 HA THR 79 19.129 -9.851 -0.338 578 HB THR 79 HB THR 79 17.880 -9.273 1.850 579 HG1 THR 79 HG1 THR 79 20.185 -7.663 2.087 580 HG21 THR 79 HG21 THR 79 20.765 -10.150 2.115 581 HG22 THR 79 HG22 THR 79 19.399 -11.205 1.754 582 HG23 THR 79 HG23 THR 79 19.502 -10.401 3.320 583 H LEU 80 H LEU 80 17.012 -9.321 -1.211 584 HA LEU 80 HA LEU 80 16.846 -6.670 -2.203 585 HB2 LEU 80 HB2 LEU 80 14.725 -8.785 -2.204 586 HB3 LEU 80 HB3 LEU 80 14.698 -7.253 -3.074 587 HG LEU 80 HG LEU 80 16.714 -9.371 -3.427 588 HD11 LEU 80 HD11 LEU 80 14.490 -10.067 -4.205 589 HD12 LEU 80 HD12 LEU 80 15.523 -9.747 -5.609 590 HD13 LEU 80 HD13 LEU 80 14.338 -8.541 -5.075 591 HD21 LEU 80 HD21 LEU 80 17.288 -8.092 -5.495 592 HD22 LEU 80 HD22 LEU 80 17.585 -7.195 -4.013 593 HD23 LEU 80 HD23 LEU 80 16.148 -6.850 -4.981 594 H ALA 81 H ALA 81 15.388 -8.330 0.338 595 HA ALA 81 HA ALA 81 13.518 -6.484 1.257 596 HB1 ALA 81 HB1 ALA 81 13.868 -7.381 3.518 597 HB2 ALA 81 HB2 ALA 81 15.357 -8.160 2.975 598 HB3 ALA 81 HB3 ALA 81 13.801 -8.663 2.312 599 H ALA 82 H ALA 82 17.011 -6.577 2.074 600 HA ALA 82 HA ALA 82 16.863 -4.112 3.490 601 HB1 ALA 82 HB1 ALA 82 19.289 -4.203 3.614 602 HB2 ALA 82 HB2 ALA 82 19.314 -5.511 2.430 603 HB3 ALA 82 HB3 ALA 82 18.592 -5.772 4.017 604 H TRP 83 H TRP 83 17.690 -5.028 0.195 605 HA TRP 83 HA TRP 83 18.651 -2.515 -0.623 606 HB2 TRP 83 HB2 TRP 83 17.314 -4.694 -2.232 607 HB3 TRP 83 HB3 TRP 83 17.921 -3.219 -2.958 608 HD1 TRP 83 HD1 TRP 83 20.258 -4.353 -0.284 609 HE1 TRP 83 HE1 TRP 83 22.295 -5.522 -1.317 610 HE3 TRP 83 HE3 TRP 83 18.523 -4.914 -5.056 611 HZ2 TRP 83 HZ2 TRP 83 23.061 -6.569 -3.830 612 HZ3 TRP 83 HZ3 TRP 83 19.971 -6.009 -6.718 613 HH2 TRP 83 HH2 TRP 83 22.191 -6.814 -6.116 614 H ASN 84 H ASN 84 15.379 -3.794 -0.498 615 HA ASN 84 HA ASN 84 14.121 -1.560 -1.618 616 HB2 ASN 84 HB2 ASN 84 12.855 -3.608 -1.311 617 HB3 ASN 84 HB3 ASN 84 13.096 -3.544 0.431 618 HD21 ASN 84 HD21 ASN 84 11.397 -2.082 -2.287 619 HD22 ASN 84 HD22 ASN 84 10.197 -1.318 -1.323 620 H GLN 85 H GLN 85 14.887 -2.253 1.805 621 HA GLN 85 HA GLN 85 13.942 0.228 2.690 622 HB2 GLN 85 HB2 GLN 85 14.340 -1.451 4.359 623 HB3 GLN 85 HB3 GLN 85 16.041 -1.575 3.909 624 HG2 GLN 85 HG2 GLN 85 16.478 0.639 4.696 625 HG3 GLN 85 HG3 GLN 85 14.770 0.916 4.999 626 HE21 GLN 85 HE21 GLN 85 15.278 1.484 7.062 627 HE22 GLN 85 HE22 GLN 85 15.633 0.306 8.290 628 H LEU 86 H LEU 86 17.160 -0.777 1.614 629 HA LEU 86 HA LEU 86 18.628 1.511 1.993 630 HB2 LEU 86 HB2 LEU 86 18.705 -0.455 -0.269 631 HB3 LEU 86 HB3 LEU 86 19.812 0.892 -0.191 632 HG LEU 86 HG LEU 86 19.616 -1.279 1.911 633 HD11 LEU 86 HD11 LEU 86 21.758 -2.005 0.988 634 HD12 LEU 86 HD12 LEU 86 21.614 -0.771 -0.271 635 HD13 LEU 86 HD13 LEU 86 20.480 -2.117 -0.225 636 HD21 LEU 86 HD21 LEU 86 21.701 -0.325 2.720 637 HD22 LEU 86 HD22 LEU 86 20.422 0.892 2.770 638 HD23 LEU 86 HD23 LEU 86 21.627 0.912 1.472 639 H MET 87 H MET 87 16.567 0.739 -0.738 640 HA MET 87 HA MET 87 16.908 3.203 -2.069 641 HB2 MET 87 HB2 MET 87 14.704 1.176 -2.231 642 HB3 MET 87 HB3 MET 87 14.826 2.576 -3.281 643 HG2 MET 87 HG2 MET 87 17.045 1.730 -4.034 644 HG3 MET 87 HG3 MET 87 16.748 0.271 -3.092 645 HE1 MET 87 HE1 MET 87 13.602 -0.004 -3.504 646 HE2 MET 87 HE2 MET 87 14.691 -1.396 -3.602 647 HE3 MET 87 HE3 MET 87 13.511 -1.110 -4.881 648 H LEU 88 H LEU 88 14.372 1.964 0.028 649 HA LEU 88 HA LEU 88 12.374 3.668 -0.297 650 HB2 LEU 88 HB2 LEU 88 13.303 2.198 2.039 651 HB3 LEU 88 HB3 LEU 88 12.053 3.388 2.295 652 HG LEU 88 HG LEU 88 11.940 0.977 0.510 653 HD11 LEU 88 HD11 LEU 88 10.379 1.869 2.917 654 HD12 LEU 88 HD12 LEU 88 11.598 0.593 2.898 655 HD13 LEU 88 HD13 LEU 88 10.085 0.387 2.001 656 HD21 LEU 88 HD21 LEU 88 9.515 1.914 0.242 657 HD22 LEU 88 HD22 LEU 88 10.838 2.531 -0.739 658 HD23 LEU 88 HD23 LEU 88 10.325 3.450 0.672 659 H SER 89 H SER 89 14.790 4.415 2.241 660 HA SER 89 HA SER 89 13.363 6.875 2.072 661 HB2 SER 89 HB2 SER 89 14.868 5.801 4.403 662 HB3 SER 89 HB3 SER 89 14.114 7.396 4.406 663 HG SER 89 HG SER 89 13.039 5.242 5.137 664 H ARG 90 H ARG 90 16.665 5.533 2.381 665 HA ARG 90 HA ARG 90 18.479 6.692 3.136 666 HB2 ARG 90 HB2 ARG 90 18.330 5.350 0.869 667 HB3 ARG 90 HB3 ARG 90 18.947 6.887 0.266 668 HG2 ARG 90 HG2 ARG 90 20.848 5.688 0.758 669 HG3 ARG 90 HG3 ARG 90 20.580 6.762 2.158 670 HD2 ARG 90 HD2 ARG 90 19.834 3.833 2.038 671 HD3 ARG 90 HD3 ARG 90 21.273 4.462 2.815 672 HE ARG 90 HE ARG 90 19.826 5.515 4.480 673 HH11 ARG 90 HH11 ARG 90 18.057 3.427 2.291 674 HH12 ARG 90 HH12 ARG 90 16.967 2.871 3.473 675 HH21 ARG 90 HH21 ARG 90 18.353 4.795 6.072 676 HH22 ARG 90 HH22 ARG 90 17.094 3.696 5.699 677 H SER 91 H SER 91 17.551 8.640 3.928 678 HA SER 91 HA SER 91 19.074 10.836 3.263 679 HB2 SER 91 HB2 SER 91 16.200 11.171 2.256 680 HB3 SER 91 HB3 SER 91 17.275 12.537 2.562 681 HG SER 91 HG SER 91 18.458 10.662 1.101 682 HA PRO 92 HA PRO 92 16.638 11.826 7.176 683 HB2 PRO 92 HB2 PRO 92 14.089 11.259 7.573 684 HB3 PRO 92 HB3 PRO 92 14.494 12.472 6.336 685 HG2 PRO 92 HG2 PRO 92 13.679 9.639 5.966 686 HG3 PRO 92 HG3 PRO 92 13.247 11.073 5.015 687 HD2 PRO 92 HD2 PRO 92 15.268 9.243 4.359 688 HD3 PRO 92 HD3 PRO 92 15.028 10.871 3.685 689 H GLU 93 H GLU 93 17.263 8.961 6.064 690 HA GLU 93 HA GLU 93 17.286 7.423 8.406 691 HB2 GLU 93 HB2 GLU 93 14.895 7.154 7.489 692 HB3 GLU 93 HB3 GLU 93 15.627 6.616 5.991 693 HG2 GLU 93 HG2 GLU 93 16.766 4.850 7.611 694 HG3 GLU 93 HG3 GLU 93 15.339 5.199 8.587 Start of MODEL 19 1 H ASP 14 HT1 ASP 14 9.479 12.797 -5.976 2 HA ASP 14 HA ASP 14 7.975 10.908 -6.239 3 HB2 ASP 14 HB2 ASP 14 9.486 11.086 -8.052 4 HB3 ASP 14 HB3 ASP 14 10.862 10.605 -7.063 5 H ASN 15 H ASN 15 7.289 8.919 -5.497 6 HA ASN 15 HA ASN 15 9.162 7.042 -4.813 7 HB2 ASN 15 HB2 ASN 15 9.034 8.310 -2.568 8 HB3 ASN 15 HB3 ASN 15 7.383 7.722 -2.429 9 HD21 ASN 15 HD21 ASN 15 7.838 6.606 -0.533 10 HD22 ASN 15 HD22 ASN 15 8.804 5.188 -0.483 11 H ARG 16 H ARG 16 7.179 7.518 -6.455 12 HA ARG 16 HA ARG 16 5.090 5.551 -5.962 13 HB2 ARG 16 HB2 ARG 16 4.280 6.353 -8.223 14 HB3 ARG 16 HB3 ARG 16 4.316 7.566 -6.951 15 HG2 ARG 16 HG2 ARG 16 5.285 8.768 -8.689 16 HG3 ARG 16 HG3 ARG 16 6.658 8.016 -7.839 17 HD2 ARG 16 HD2 ARG 16 6.858 7.840 -10.318 18 HD3 ARG 16 HD3 ARG 16 6.872 6.295 -9.468 19 HE ARG 16 HE ARG 16 4.367 7.279 -10.583 20 HH11 ARG 16 HH11 ARG 16 6.994 4.909 -10.713 21 HH12 ARG 16 HH12 ARG 16 6.235 3.848 -11.798 22 HH21 ARG 16 HH21 ARG 16 3.263 5.813 -12.109 23 HH22 ARG 16 HH22 ARG 16 4.031 4.387 -12.617 24 H HIS 17 H HIS 17 8.202 5.531 -6.974 25 HA HIS 17 HA HIS 17 7.966 3.841 -9.247 26 HB2 HIS 17 HB2 HIS 17 9.722 5.634 -9.020 27 HB3 HIS 17 HB3 HIS 17 10.463 4.671 -7.757 28 HD1 HIS 17 HD1 HIS 17 12.449 3.351 -8.665 29 HD2 HIS 17 HD2 HIS 17 9.462 3.713 -11.509 30 HE1 HIS 17 HE1 HIS 17 13.458 2.601 -10.815 31 H ALA 18 H ALA 18 8.088 3.472 -5.856 32 HA ALA 18 HA ALA 18 9.698 1.316 -5.250 33 HB1 ALA 18 HB1 ALA 18 7.013 1.781 -3.989 34 HB2 ALA 18 HB2 ALA 18 8.485 2.704 -3.640 35 HB3 ALA 18 HB3 ALA 18 8.434 0.976 -3.306 36 H ALA 19 H ALA 19 6.928 1.008 -7.169 37 HA ALA 19 HA ALA 19 6.479 -1.785 -6.843 38 HB1 ALA 19 HB1 ALA 19 6.085 -0.044 -9.293 39 HB2 ALA 19 HB2 ALA 19 4.881 -0.338 -8.038 40 HB3 ALA 19 HB3 ALA 19 5.421 -1.663 -9.072 41 H ASP 20 H ASP 20 8.965 0.110 -8.208 42 HA ASP 20 HA ASP 20 10.117 -1.424 -10.146 43 HB2 ASP 20 HB2 ASP 20 12.250 -0.230 -9.609 44 HB3 ASP 20 HB3 ASP 20 10.873 0.837 -9.767 45 H TYR 21 H TYR 21 10.600 -1.468 -6.691 46 HA TYR 21 HA TYR 21 12.496 -3.495 -6.251 47 HB2 TYR 21 HB2 TYR 21 11.536 -2.098 -4.482 48 HB3 TYR 21 HB3 TYR 21 9.976 -2.879 -4.702 49 HD1 TYR 21 HD2 TYR 21 13.519 -3.784 -4.053 50 HD2 TYR 21 HD1 TYR 21 9.423 -4.565 -3.252 51 HE1 TYR 21 HE2 TYR 21 14.175 -5.490 -2.465 52 HE2 TYR 21 HE1 TYR 21 10.060 -6.294 -1.638 53 HH TYR 21 HH TYR 21 13.205 -6.601 -0.485 54 H GLN 22 H GLN 22 9.082 -3.902 -6.969 55 HA GLN 22 HA GLN 22 9.182 -6.743 -6.681 56 HB2 GLN 22 HB2 GLN 22 7.171 -4.931 -8.011 57 HB3 GLN 22 HB3 GLN 22 6.991 -6.683 -7.995 58 HG2 GLN 22 HG2 GLN 22 7.403 -5.170 -5.451 59 HG3 GLN 22 HG3 GLN 22 5.809 -5.267 -6.189 60 HE21 GLN 22 HE21 GLN 22 7.924 -8.104 -6.557 61 HE22 GLN 22 HE22 GLN 22 7.078 -9.013 -5.386 62 H GLN 23 H GLN 23 9.522 -4.553 -9.391 63 HA GLN 23 HA GLN 23 9.723 -6.596 -11.363 64 HB2 GLN 23 HB2 GLN 23 10.759 -3.756 -11.398 65 HB3 GLN 23 HB3 GLN 23 10.700 -4.817 -12.798 66 HG2 GLN 23 HG2 GLN 23 8.334 -3.820 -11.222 67 HG3 GLN 23 HG3 GLN 23 8.849 -3.242 -12.806 68 HE21 GLN 23 HE21 GLN 23 7.323 -5.824 -11.055 69 HE22 GLN 23 HE22 GLN 23 6.724 -6.654 -12.453 70 H LEU 24 H LEU 24 11.980 -4.939 -9.316 71 HA LEU 24 HA LEU 24 14.431 -5.856 -10.281 72 HB2 LEU 24 HB2 LEU 24 13.874 -4.115 -8.477 73 HB3 LEU 24 HB3 LEU 24 13.687 -5.439 -7.362 74 HG LEU 24 HG LEU 24 16.258 -4.606 -8.731 75 HD11 LEU 24 HD11 LEU 24 15.359 -4.375 -5.872 76 HD12 LEU 24 HD12 LEU 24 15.478 -3.057 -7.029 77 HD13 LEU 24 HD13 LEU 24 16.936 -3.904 -6.504 78 HD21 LEU 24 HD21 LEU 24 17.371 -6.189 -7.229 79 HD22 LEU 24 HD22 LEU 24 16.245 -7.023 -8.300 80 HD23 LEU 24 HD23 LEU 24 15.804 -6.721 -6.619 81 H ARG 25 H ARG 25 12.347 -7.175 -7.710 82 HA ARG 25 HA ARG 25 13.764 -9.509 -7.115 83 HB2 ARG 25 HB2 ARG 25 10.778 -9.057 -7.003 84 HB3 ARG 25 HB3 ARG 25 11.603 -10.418 -6.280 85 HG2 ARG 25 HG2 ARG 25 12.741 -8.941 -4.754 86 HG3 ARG 25 HG3 ARG 25 11.950 -7.522 -5.477 87 HD2 ARG 25 HD2 ARG 25 10.774 -8.120 -3.475 88 HD3 ARG 25 HD3 ARG 25 9.767 -8.603 -4.836 89 HE ARG 25 HE ARG 25 11.214 -10.374 -2.988 90 HH11 ARG 25 HH11 ARG 25 9.165 -10.162 -5.921 91 HH12 ARG 25 HH12 ARG 25 8.686 -11.721 -5.874 92 HH21 ARG 25 HH21 ARG 25 10.466 -12.515 -2.851 93 HH22 ARG 25 HH22 ARG 25 9.340 -13.115 -3.984 94 H GLU 26 H GLU 26 10.783 -9.266 -9.025 95 HA GLU 26 HA GLU 26 10.763 -11.853 -9.908 96 HB2 GLU 26 HB2 GLU 26 9.324 -9.398 -10.604 97 HB3 GLU 26 HB3 GLU 26 9.240 -10.721 -11.758 98 HG2 GLU 26 HG2 GLU 26 7.404 -10.670 -10.113 99 HG3 GLU 26 HG3 GLU 26 8.284 -12.181 -10.156 100 H ARG 27 H ARG 27 12.521 -9.117 -11.388 101 HA ARG 27 HA ARG 27 12.946 -10.553 -13.815 102 HB2 ARG 27 HB2 ARG 27 13.118 -8.185 -13.961 103 HB3 ARG 27 HB3 ARG 27 14.324 -8.139 -12.667 104 HG2 ARG 27 HG2 ARG 27 15.879 -9.271 -13.922 105 HG3 ARG 27 HG3 ARG 27 14.702 -9.700 -15.156 106 HD2 ARG 27 HD2 ARG 27 14.539 -7.478 -15.836 107 HD3 ARG 27 HD3 ARG 27 15.634 -6.910 -14.559 108 HE ARG 27 HE ARG 27 17.130 -8.746 -15.717 109 HH11 ARG 27 HH11 ARG 27 15.300 -6.125 -17.199 110 HH12 ARG 27 HH12 ARG 27 16.247 -6.003 -18.610 111 HH21 ARG 27 HH21 ARG 27 18.447 -8.640 -17.613 112 HH22 ARG 27 HH22 ARG 27 18.139 -7.521 -18.868 113 H LEU 28 H LEU 28 14.532 -10.388 -10.719 114 HA LEU 28 HA LEU 28 16.905 -11.506 -11.793 115 HB2 LEU 28 HB2 LEU 28 15.991 -11.103 -8.960 116 HB3 LEU 28 HB3 LEU 28 17.497 -11.916 -9.355 117 HG LEU 28 HG LEU 28 16.786 -9.081 -10.093 118 HD11 LEU 28 HD11 LEU 28 17.260 -9.346 -7.717 119 HD12 LEU 28 HD12 LEU 28 18.497 -8.419 -8.556 120 HD13 LEU 28 HD13 LEU 28 18.812 -10.104 -8.112 121 HD21 LEU 28 HD21 LEU 28 19.170 -8.978 -10.816 122 HD22 LEU 28 HD22 LEU 28 18.129 -9.993 -11.806 123 HD23 LEU 28 HD23 LEU 28 19.239 -10.743 -10.654 124 H ILE 29 H ILE 29 14.025 -12.689 -10.499 125 HA ILE 29 HA ILE 29 14.656 -15.375 -10.030 126 HB ILE 29 HB ILE 29 12.095 -14.219 -11.192 127 HG12 ILE 29 HG12 ILE 29 12.645 -13.000 -9.236 128 HG13 ILE 29 HG11 ILE 29 11.389 -14.156 -8.802 129 HG21 ILE 29 HG21 ILE 29 10.972 -16.092 -10.221 130 HG22 ILE 29 HG22 ILE 29 12.471 -16.607 -9.459 131 HG23 ILE 29 HG23 ILE 29 12.307 -16.719 -11.227 132 HD11 ILE 29 HD11 ILE 29 14.331 -14.544 -8.312 133 HD12 ILE 29 HD12 ILE 29 13.018 -15.601 -7.789 134 HD13 ILE 29 HD13 ILE 29 13.150 -13.954 -7.134 135 H GLN 30 H GLN 30 14.206 -13.652 -12.974 136 HA GLN 30 HA GLN 30 13.883 -15.915 -14.707 137 HB2 GLN 30 HB2 GLN 30 14.728 -13.115 -15.441 138 HB3 GLN 30 HB3 GLN 30 13.886 -14.288 -16.453 139 HG2 GLN 30 HG2 GLN 30 11.930 -14.125 -14.935 140 HG3 GLN 30 HG3 GLN 30 12.863 -12.949 -14.007 141 HE21 GLN 30 HE21 GLN 30 11.225 -11.466 -14.302 142 HE22 GLN 30 HE22 GLN 30 11.050 -10.593 -15.799 143 H GLU 31 H GLU 31 16.454 -13.756 -13.710 144 HA GLU 31 HA GLU 31 18.405 -14.982 -15.458 145 HB2 GLU 31 HB2 GLU 31 18.764 -12.828 -13.359 146 HB3 GLU 31 HB3 GLU 31 19.972 -13.314 -14.548 147 HG2 GLU 31 HG2 GLU 31 18.409 -12.672 -16.340 148 HG3 GLU 31 HG3 GLU 31 17.295 -12.157 -15.063 149 H LEU 32 H LEU 32 17.413 -15.239 -12.141 150 HA LEU 32 HA LEU 32 19.760 -16.599 -11.344 151 HB2 LEU 32 HB2 LEU 32 17.113 -16.257 -9.889 152 HB3 LEU 32 HB3 LEU 32 18.591 -16.906 -9.202 153 HG LEU 32 HG LEU 32 17.985 -14.208 -10.175 154 HD11 LEU 32 HD11 LEU 32 18.714 -15.204 -7.438 155 HD12 LEU 32 HD12 LEU 32 17.147 -14.596 -7.983 156 HD13 LEU 32 HD13 LEU 32 18.525 -13.501 -7.860 157 HD21 LEU 32 HD21 LEU 32 20.269 -13.513 -9.434 158 HD22 LEU 32 HD22 LEU 32 20.146 -14.460 -10.899 159 HD23 LEU 32 HD23 LEU 32 20.694 -15.237 -9.398 160 H ASN 33 H ASN 33 16.753 -17.327 -12.748 161 HA ASN 33 HA ASN 33 15.742 -19.137 -13.606 162 HB2 ASN 33 HB2 ASN 33 18.111 -19.565 -14.459 163 HB3 ASN 33 HB3 ASN 33 18.338 -20.642 -13.094 164 HD21 ASN 33 HD21 ASN 33 16.680 -20.149 -16.108 165 HD22 ASN 33 HD22 ASN 33 16.223 -21.810 -16.341 166 H LEU 34 H LEU 34 15.828 -18.572 -10.742 167 HA LEU 34 HA LEU 34 14.638 -21.027 -9.862 168 HB2 LEU 34 HB2 LEU 34 15.781 -20.785 -7.641 169 HB3 LEU 34 HB3 LEU 34 16.767 -21.332 -8.978 170 HG LEU 34 HG LEU 34 17.679 -18.996 -9.140 171 HD11 LEU 34 HD11 LEU 34 15.932 -17.826 -7.991 172 HD12 LEU 34 HD12 LEU 34 17.489 -17.546 -7.192 173 HD13 LEU 34 HD13 LEU 34 16.310 -18.669 -6.491 174 HD21 LEU 34 HD21 LEU 34 19.205 -19.306 -7.259 175 HD22 LEU 34 HD22 LEU 34 18.887 -20.809 -8.141 176 HD23 LEU 34 HD23 LEU 34 18.098 -20.515 -6.592 177 H THR 35 H THR 35 13.159 -20.709 -8.043 178 HA THR 35 HA THR 35 11.651 -18.359 -8.548 179 HB THR 35 HB THR 35 10.163 -19.442 -6.766 180 HG1 THR 35 HG1 THR 35 10.719 -21.628 -6.311 181 HG21 THR 35 HG21 THR 35 9.776 -19.748 -9.177 182 HG22 THR 35 HG22 THR 35 9.419 -21.228 -8.288 183 HG23 THR 35 HG23 THR 35 10.927 -21.084 -9.191 184 HA PRO 36 HA PRO 36 12.901 -15.708 -5.243 185 HB2 PRO 36 HB2 PRO 36 10.147 -15.685 -4.095 186 HB3 PRO 36 HB3 PRO 36 11.144 -14.320 -4.633 187 HG2 PRO 36 HG2 PRO 36 9.112 -15.128 -6.094 188 HG3 PRO 36 HG3 PRO 36 10.635 -14.611 -6.845 189 HD2 PRO 36 HD2 PRO 36 9.577 -17.368 -6.462 190 HD3 PRO 36 HD3 PRO 36 10.473 -16.677 -7.831 191 H GLN 37 H GLN 37 11.500 -18.542 -4.622 192 HA GLN 37 HA GLN 37 11.762 -18.640 -1.678 193 HB2 GLN 37 HB2 GLN 37 10.425 -20.666 -3.500 194 HB3 GLN 37 HB3 GLN 37 10.526 -20.800 -1.757 195 HG2 GLN 37 HG2 GLN 37 8.339 -20.062 -2.240 196 HG3 GLN 37 HG3 GLN 37 9.200 -18.653 -1.632 197 HE21 GLN 37 HE21 GLN 37 7.831 -17.213 -2.616 198 HE22 GLN 37 HE22 GLN 37 7.777 -16.978 -4.329 199 H GLN 38 H GLN 38 13.394 -19.481 -4.468 200 HA GLN 38 HA GLN 38 15.133 -21.334 -2.999 201 HB2 GLN 38 HB2 GLN 38 14.641 -20.968 -5.966 202 HB3 GLN 38 HB3 GLN 38 15.904 -22.007 -5.307 203 HG2 GLN 38 HG2 GLN 38 12.954 -22.336 -4.798 204 HG3 GLN 38 HG3 GLN 38 13.869 -23.225 -6.014 205 HE21 GLN 38 HE21 GLN 38 13.392 -22.748 -2.556 206 HE22 GLN 38 HE22 GLN 38 14.156 -24.231 -2.108 207 H LEU 39 H LEU 39 14.655 -18.396 -3.333 208 HA LEU 39 HA LEU 39 17.314 -17.549 -4.098 209 HB2 LEU 39 HB2 LEU 39 15.952 -16.470 -5.637 210 HB3 LEU 39 HB3 LEU 39 14.603 -16.394 -4.525 211 HG LEU 39 HG LEU 39 15.582 -14.719 -3.333 212 HD11 LEU 39 HD11 LEU 39 17.861 -14.760 -5.403 213 HD12 LEU 39 HD12 LEU 39 18.009 -15.039 -3.657 214 HD13 LEU 39 HD13 LEU 39 17.646 -13.431 -4.259 215 HD21 LEU 39 HD21 LEU 39 15.544 -12.829 -4.991 216 HD22 LEU 39 HD22 LEU 39 14.164 -13.929 -5.022 217 HD23 LEU 39 HD23 LEU 39 15.430 -14.054 -6.254 218 H HIS 40 H HIS 40 18.442 -16.587 -2.598 219 HA HIS 40 HA HIS 40 17.544 -16.255 0.073 220 HB2 HIS 40 HB2 HIS 40 20.072 -15.582 -1.438 221 HB3 HIS 40 HB3 HIS 40 19.960 -15.444 0.289 222 HD1 HIS 40 HD1 HIS 40 21.231 -17.615 -2.241 223 HD2 HIS 40 HD2 HIS 40 19.306 -18.224 1.396 224 HE1 HIS 40 HE1 HIS 40 21.771 -19.965 -1.548 225 H GLU 41 H GLU 41 15.820 -14.621 -0.644 226 HA GLU 41 HA GLU 41 16.942 -12.113 -1.599 227 HB2 GLU 41 HB2 GLU 41 14.691 -11.210 -1.767 228 HB3 GLU 41 HB3 GLU 41 14.770 -12.770 -2.553 229 HG2 GLU 41 HG2 GLU 41 13.624 -13.792 -0.678 230 HG3 GLU 41 HG3 GLU 41 13.621 -12.247 0.179 231 H GLU 42 H GLU 42 15.910 -13.524 1.271 232 HA GLU 42 HA GLU 42 16.150 -11.061 2.770 233 HB2 GLU 42 HB2 GLU 42 15.684 -12.866 4.697 234 HB3 GLU 42 HB3 GLU 42 14.383 -12.165 3.755 235 HG2 GLU 42 HG2 GLU 42 14.185 -14.631 4.093 236 HG3 GLU 42 HG3 GLU 42 14.197 -14.144 2.404 237 H SER 43 H SER 43 17.784 -13.907 1.911 238 HA SER 43 HA SER 43 19.956 -13.403 3.716 239 HB2 SER 43 HB2 SER 43 19.140 -15.640 1.914 240 HB3 SER 43 HB3 SER 43 20.750 -15.620 2.660 241 HG SER 43 HG SER 43 18.164 -15.811 3.856 242 H ASN 44 H ASN 44 22.144 -13.758 2.615 243 HA ASN 44 HA ASN 44 22.761 -11.605 0.966 244 HB2 ASN 44 HB2 ASN 44 24.470 -12.810 2.287 245 HB3 ASN 44 HB3 ASN 44 24.273 -14.194 1.211 246 HD21 ASN 44 HD21 ASN 44 26.558 -14.087 0.720 247 HD22 ASN 44 HD22 ASN 44 27.127 -12.882 -0.356 248 H LEU 45 H LEU 45 22.244 -11.120 -0.952 249 HA LEU 45 HA LEU 45 21.185 -12.893 -2.847 250 HB2 LEU 45 HB2 LEU 45 22.208 -10.085 -3.183 251 HB3 LEU 45 HB3 LEU 45 21.413 -10.981 -4.455 252 HG LEU 45 HG LEU 45 20.145 -10.176 -1.834 253 HD11 LEU 45 HD11 LEU 45 18.883 -8.631 -3.179 254 HD12 LEU 45 HD12 LEU 45 19.688 -9.195 -4.629 255 HD13 LEU 45 HD13 LEU 45 20.608 -8.306 -3.399 256 HD21 LEU 45 HD21 LEU 45 19.197 -12.233 -2.691 257 HD22 LEU 45 HD22 LEU 45 19.010 -11.502 -4.285 258 HD23 LEU 45 HD23 LEU 45 18.071 -10.898 -2.922 259 H ILE 46 H ILE 46 24.408 -11.925 -2.146 260 HA ILE 46 HA ILE 46 25.500 -12.574 -4.718 261 HB ILE 46 HB ILE 46 26.977 -12.378 -2.067 262 HG12 ILE 46 HG12 ILE 46 25.691 -10.307 -2.447 263 HG13 ILE 46 HG11 ILE 46 27.419 -10.017 -2.534 264 HG21 ILE 46 HG21 ILE 46 27.930 -12.033 -4.915 265 HG22 ILE 46 HG22 ILE 46 28.397 -13.323 -3.797 266 HG23 ILE 46 HG23 ILE 46 28.892 -11.648 -3.493 267 HD11 ILE 46 HD11 ILE 46 26.213 -8.758 -4.216 268 HD12 ILE 46 HD12 ILE 46 25.528 -10.244 -4.871 269 HD13 ILE 46 HD13 ILE 46 27.262 -9.939 -4.995 270 H GLN 47 H GLN 47 24.239 -14.407 -2.224 271 HA GLN 47 HA GLN 47 25.897 -16.737 -2.669 272 HB2 GLN 47 HB2 GLN 47 23.317 -16.493 -1.154 273 HB3 GLN 47 HB3 GLN 47 24.311 -17.940 -1.200 274 HG2 GLN 47 HG2 GLN 47 25.096 -15.277 -0.094 275 HG3 GLN 47 HG3 GLN 47 24.620 -16.677 0.878 276 HE21 GLN 47 HE21 GLN 47 26.188 -18.474 -0.943 277 HE22 GLN 47 HE22 GLN 47 27.836 -18.171 -0.520 278 H ALA 48 H ALA 48 23.450 -15.207 -4.231 279 HA ALA 48 HA ALA 48 22.365 -17.632 -5.463 280 HB1 ALA 48 HB1 ALA 48 21.533 -14.731 -5.762 281 HB2 ALA 48 HB2 ALA 48 20.708 -15.942 -4.781 282 HB3 ALA 48 HB3 ALA 48 20.740 -16.103 -6.537 283 H GLY 49 H GLY 49 22.086 -17.188 -8.037 284 HA2 GLY 49 HA2 GLY 49 24.857 -16.845 -8.828 285 HA3 GLY 49 HA3 GLY 49 23.561 -17.497 -9.820 286 H LEU 50 H LEU 50 25.071 -14.603 -8.623 287 HA LEU 50 HA LEU 50 24.262 -13.285 -11.005 288 HB2 LEU 50 HB2 LEU 50 23.469 -11.243 -9.855 289 HB3 LEU 50 HB3 LEU 50 22.411 -12.617 -9.706 290 HG LEU 50 HG LEU 50 23.430 -12.909 -7.367 291 HD11 LEU 50 HD11 LEU 50 24.213 -10.037 -7.871 292 HD12 LEU 50 HD12 LEU 50 25.340 -11.368 -7.597 293 HD13 LEU 50 HD13 LEU 50 24.248 -10.849 -6.313 294 HD21 LEU 50 HD21 LEU 50 21.738 -10.538 -8.046 295 HD22 LEU 50 HD22 LEU 50 21.835 -11.314 -6.455 296 HD23 LEU 50 HD23 LEU 50 21.193 -12.202 -7.852 297 H ASP 51 H ASP 51 25.271 -11.034 -11.002 298 HA ASP 51 HA ASP 51 27.948 -11.212 -9.891 299 HB2 ASP 51 HB2 ASP 51 28.743 -10.291 -12.075 300 HB3 ASP 51 HB3 ASP 51 28.143 -11.942 -12.160 301 H 4HJ 52 H 4HJ 52 28.745 -8.756 -11.176 302 HA 4HJ 52 HA 4HJ 52 27.302 -7.046 -9.328 303 HAA 4HJ 52 HAA 4HJ 52 29.407 -10.553 -8.434 304 HB3 4HJ 52 HB3 4HJ 52 29.294 -5.586 -9.633 305 HB2 4HJ 52 HB2 4HJ 52 29.693 -7.173 -8.965 306 HZ1 4HJ 52 HZ1 4HJ 52 31.122 -9.055 -9.211 307 HZ2 4HJ 52 HZ2 4HJ 52 28.738 -10.597 -6.126 308 HZ 4HJ 52 HZ 4HJ 52 32.605 -7.469 -8.721 309 HJ2 4HJ 52 HJ2 4HJ 52 32.610 -3.847 -10.882 310 HJ3 4HJ 52 HJ3 4HJ 52 30.873 -3.599 -10.760 311 HL12 4HJ 52 HL12 4HJ 52 33.385 -3.409 -7.251 312 HL11 4HJ 52 HL11 4HJ 52 33.920 -4.116 -8.822 313 HL13 4HJ 52 HL13 4HJ 52 32.639 -4.819 -7.894 314 HL22 4HJ 52 HL22 4HJ 52 30.811 -2.543 -7.246 315 HL21 4HJ 52 HL21 4HJ 52 30.568 -4.156 -7.854 316 HL23 4HJ 52 HL23 4HJ 52 29.893 -2.840 -8.774 317 HM 4HJ 52 HM 4HJ 52 30.741 -0.774 -9.455 318 HN 4HJ 52 HN 4HJ 52 34.049 0.663 -8.316 319 HL3 4HJ 52 HL3 4HJ 52 33.411 -1.684 -9.808 320 HO2 4HJ 52 HO2 4HJ 52 35.517 -1.362 -7.546 321 HO3 4HJ 52 HO3 4HJ 52 35.410 0.034 -6.440 322 HP2 4HJ 52 HP2 4HJ 52 34.140 -0.987 -4.954 323 HP3 4HJ 52 HP3 4HJ 52 33.331 -2.025 -6.069 324 HS2 4HJ 52 HS2 4HJ 52 35.169 -4.707 -3.241 325 HS3 4HJ 52 HS3 4HJ 52 33.974 -3.376 -3.149 326 HT3 4HJ 52 HT3 4HJ 52 32.211 -4.647 -3.736 327 HT2 4HJ 52 HT2 4HJ 52 33.139 -5.817 -2.821 328 HY2 4HJ 52 HY2 4HJ 52 29.865 -9.000 -4.448 329 HR 4HJ 52 HR 4HJ 52 34.467 -4.526 -5.761 330 H ILE 53 H ILE 53 27.524 -7.793 -12.566 331 HA ILE 53 HA ILE 53 27.085 -5.131 -13.404 332 HB ILE 53 HB ILE 53 27.950 -7.343 -14.770 333 HG12 ILE 53 HG12 ILE 53 28.343 -5.125 -15.488 334 HG13 ILE 53 HG11 ILE 53 27.616 -6.045 -16.807 335 HG21 ILE 53 HG21 ILE 53 25.073 -6.997 -15.651 336 HG22 ILE 53 HG22 ILE 53 25.758 -8.432 -14.887 337 HG23 ILE 53 HG23 ILE 53 26.295 -7.950 -16.496 338 HD11 ILE 53 HD11 ILE 53 25.439 -5.047 -16.216 339 HD12 ILE 53 HD12 ILE 53 26.633 -3.821 -16.730 340 HD13 ILE 53 HD13 ILE 53 26.262 -4.059 -15.014 341 H ARG 54 H ARG 54 25.318 -7.952 -12.583 342 HA ARG 54 HA ARG 54 22.682 -7.036 -12.994 343 HB2 ARG 54 HB2 ARG 54 23.930 -9.034 -11.170 344 HB3 ARG 54 HB3 ARG 54 22.306 -8.480 -10.791 345 HG2 ARG 54 HG2 ARG 54 22.300 -10.540 -12.115 346 HG3 ARG 54 HG3 ARG 54 21.506 -9.211 -12.947 347 HD2 ARG 54 HD2 ARG 54 23.626 -8.859 -14.247 348 HD3 ARG 54 HD3 ARG 54 24.269 -10.312 -13.482 349 HE ARG 54 HE ARG 54 21.713 -10.543 -14.892 350 HH11 ARG 54 HH11 ARG 54 25.209 -11.378 -14.867 351 HH12 ARG 54 HH12 ARG 54 25.053 -12.466 -16.114 352 HH21 ARG 54 HH21 ARG 54 21.525 -11.979 -16.522 353 HH22 ARG 54 HH22 ARG 54 22.863 -12.876 -17.130 354 H LEU 55 H LEU 55 24.817 -6.554 -10.178 355 HA LEU 55 HA LEU 55 22.870 -4.926 -8.917 356 HB2 LEU 55 HB2 LEU 55 25.813 -5.106 -8.354 357 HB3 LEU 55 HB3 LEU 55 24.738 -4.044 -7.481 358 HG LEU 55 HG LEU 55 23.452 -6.342 -7.078 359 HD11 LEU 55 HD11 LEU 55 25.043 -8.138 -6.644 360 HD12 LEU 55 HD12 LEU 55 26.327 -7.171 -7.365 361 HD13 LEU 55 HD13 LEU 55 24.973 -7.706 -8.350 362 HD21 LEU 55 HD21 LEU 55 24.187 -4.785 -5.383 363 HD22 LEU 55 HD22 LEU 55 25.844 -5.378 -5.530 364 HD23 LEU 55 HD23 LEU 55 24.578 -6.442 -4.912 365 H MET 56 H MET 56 25.649 -4.069 -10.983 366 HA MET 56 HA MET 56 25.312 -1.316 -10.518 367 HB2 MET 56 HB2 MET 56 26.549 -2.646 -12.935 368 HB3 MET 56 HB3 MET 56 26.566 -0.918 -12.659 369 HG2 MET 56 HG2 MET 56 28.039 -3.055 -11.088 370 HG3 MET 56 HG3 MET 56 28.709 -1.721 -12.022 371 HE1 MET 56 HE1 MET 56 27.249 -1.656 -7.693 372 HE2 MET 56 HE2 MET 56 27.757 -3.058 -8.630 373 HE3 MET 56 HE3 MET 56 26.202 -2.307 -8.951 374 H ARG 57 H ARG 57 23.674 -3.436 -12.679 375 HA ARG 57 HA ARG 57 22.186 -1.610 -14.220 376 HB2 ARG 57 HB2 ARG 57 21.310 -4.156 -12.983 377 HB3 ARG 57 HB3 ARG 57 20.424 -3.254 -14.202 378 HG2 ARG 57 HG2 ARG 57 22.473 -3.496 -15.645 379 HG3 ARG 57 HG3 ARG 57 23.024 -4.688 -14.455 380 HD2 ARG 57 HD2 ARG 57 20.510 -4.555 -15.855 381 HD3 ARG 57 HD3 ARG 57 21.785 -5.748 -16.261 382 HE ARG 57 HE ARG 57 20.555 -5.662 -13.587 383 HH11 ARG 57 HH11 ARG 57 21.256 -7.633 -16.452 384 HH12 ARG 57 HH12 ARG 57 20.356 -8.984 -15.883 385 HH21 ARG 57 HH21 ARG 57 19.275 -7.551 -12.878 386 HH22 ARG 57 HH22 ARG 57 19.154 -8.874 -13.962 387 H TRP 58 H TRP 58 21.533 -3.141 -11.112 388 HA TRP 58 HA TRP 58 19.039 -1.995 -10.515 389 HB2 TRP 58 HB2 TRP 58 21.115 -3.028 -8.589 390 HB3 TRP 58 HB3 TRP 58 19.428 -2.658 -8.206 391 HD1 TRP 58 HD1 TRP 58 21.090 -5.657 -8.407 392 HE1 TRP 58 HE1 TRP 58 19.911 -7.505 -9.675 393 HE3 TRP 58 HE3 TRP 58 17.515 -2.854 -10.955 394 HZ2 TRP 58 HZ2 TRP 58 17.801 -7.764 -11.533 395 HZ3 TRP 58 HZ3 TRP 58 15.992 -4.027 -12.409 396 HH2 TRP 58 HH2 TRP 58 16.103 -6.436 -12.685 397 H LEU 59 H LEU 59 22.154 -0.881 -9.354 398 HA LEU 59 HA LEU 59 21.263 1.381 -8.013 399 HB2 LEU 59 HB2 LEU 59 23.759 0.908 -9.565 400 HB3 LEU 59 HB3 LEU 59 23.432 2.470 -8.860 401 HG LEU 59 HG LEU 59 24.897 1.251 -7.497 402 HD11 LEU 59 HD11 LEU 59 23.817 1.382 -5.406 403 HD12 LEU 59 HD12 LEU 59 22.227 1.322 -6.192 404 HD13 LEU 59 HD13 LEU 59 23.297 2.708 -6.455 405 HD21 LEU 59 HD21 LEU 59 22.786 -0.855 -7.297 406 HD22 LEU 59 HD22 LEU 59 24.368 -0.861 -6.458 407 HD23 LEU 59 HD23 LEU 59 24.268 -0.953 -8.230 408 H HIS 60 H HIS 60 22.401 1.300 -11.320 409 HA HIS 60 HA HIS 60 21.978 3.985 -11.912 410 HB2 HIS 60 HB2 HIS 60 23.432 2.423 -13.048 411 HB3 HIS 60 HB3 HIS 60 22.058 1.551 -13.673 412 HD1 HIS 60 HD1 HIS 60 24.199 4.521 -14.408 413 HD2 HIS 60 HD2 HIS 60 20.582 2.950 -15.723 414 HE1 HIS 60 HE1 HIS 60 23.658 5.702 -16.566 415 H TRP 61 H TRP 61 19.949 1.184 -12.299 416 HA TRP 61 HA TRP 61 17.868 2.208 -13.814 417 HB2 TRP 61 HB2 TRP 61 18.428 -0.150 -13.340 418 HB3 TRP 61 HB3 TRP 61 17.865 0.076 -11.706 419 HD1 TRP 61 HD1 TRP 61 16.322 0.480 -15.266 420 HE1 TRP 61 HE1 TRP 61 13.952 -0.533 -15.179 421 HE3 TRP 61 HE3 TRP 61 16.197 -0.757 -10.370 422 HZ2 TRP 61 HZ2 TRP 61 12.259 -1.743 -13.244 423 HZ3 TRP 61 HZ3 TRP 61 14.186 -1.865 -9.456 424 HH2 TRP 61 HH2 TRP 61 12.266 -2.329 -10.876 425 H PHE 62 H PHE 62 17.999 1.786 -10.236 426 HA PHE 62 HA PHE 62 15.728 3.514 -10.140 427 HB2 PHE 62 HB2 PHE 62 15.901 3.133 -7.521 428 HB3 PHE 62 HB3 PHE 62 15.124 1.999 -8.604 429 HD1 PHE 62 HD2 PHE 62 18.399 2.692 -6.955 430 HD2 PHE 62 HD1 PHE 62 15.688 -0.149 -8.558 431 HE1 PHE 62 HE2 PHE 62 19.848 0.846 -6.165 432 HE2 PHE 62 HE1 PHE 62 17.107 -1.974 -7.796 433 HZ PHE 62 HZ PHE 62 19.165 -1.526 -6.665 434 H ARG 63 H ARG 63 19.073 4.039 -9.521 435 HA ARG 63 HA ARG 63 19.068 6.220 -7.816 436 HB2 ARG 63 HB2 ARG 63 20.804 5.684 -10.211 437 HB3 ARG 63 HB3 ARG 63 20.999 7.152 -9.279 438 HG2 ARG 63 HG2 ARG 63 21.242 4.366 -8.147 439 HG3 ARG 63 HG3 ARG 63 22.598 5.337 -8.709 440 HD2 ARG 63 HD2 ARG 63 20.723 5.998 -6.432 441 HD3 ARG 63 HD3 ARG 63 22.405 5.490 -6.298 442 HE ARG 63 HE ARG 63 21.534 8.006 -7.541 443 HH11 ARG 63 HH11 ARG 63 23.886 6.232 -5.525 444 HH12 ARG 63 HH12 ARG 63 24.834 7.577 -5.167 445 HH21 ARG 63 HH21 ARG 63 22.862 9.900 -7.030 446 HH22 ARG 63 HH22 ARG 63 24.239 9.740 -6.049 447 H LYS 64 H LYS 64 18.180 6.235 -11.190 448 HA LYS 64 HA LYS 64 18.073 9.054 -11.440 449 HB2 LYS 64 HB2 LYS 64 17.079 8.688 -13.630 450 HB3 LYS 64 HB3 LYS 64 18.469 7.657 -13.384 451 HG2 LYS 64 HG2 LYS 64 16.971 6.260 -14.452 452 HG3 LYS 64 HG3 LYS 64 16.714 5.867 -12.748 453 HD2 LYS 64 HD2 LYS 64 14.860 7.358 -12.654 454 HD3 LYS 64 HD3 LYS 64 15.089 7.834 -14.327 455 HE2 LYS 64 HE2 LYS 64 13.294 6.214 -14.326 456 HE3 LYS 64 HE3 LYS 64 14.716 5.421 -14.996 457 HZ1 LYS 64 HZ1 LYS 64 15.085 4.372 -12.804 458 HZ2 LYS 64 HZ2 LYS 64 13.537 4.005 -13.396 459 HZ3 LYS 64 HZ3 LYS 64 13.721 5.193 -12.228 460 H ASN 65 H ASN 65 16.006 7.121 -9.726 461 HA ASN 65 HA ASN 65 13.801 9.035 -10.023 462 HB2 ASN 65 HB2 ASN 65 13.923 6.215 -9.114 463 HB3 ASN 65 HB3 ASN 65 12.727 7.255 -8.347 464 HD21 ASN 65 HD21 ASN 65 11.016 7.913 -9.472 465 HD22 ASN 65 HD22 ASN 65 10.623 7.392 -11.077 466 H GLY 66 H GLY 66 16.471 8.805 -8.242 467 HA2 GLY 66 HA2 GLY 66 16.932 10.307 -6.477 468 HA3 GLY 66 HA3 GLY 66 15.213 10.372 -6.123 469 H TYR 67 H TYR 67 17.174 7.483 -6.472 470 HA TYR 67 HA TYR 67 16.695 6.841 -3.652 471 HB2 TYR 67 HB2 TYR 67 17.680 5.161 -5.987 472 HB3 TYR 67 HB3 TYR 67 17.645 4.583 -4.328 473 HD1 TYR 67 HD2 TYR 67 15.586 5.412 -7.273 474 HD2 TYR 67 HD1 TYR 67 15.532 4.006 -3.266 475 HE1 TYR 67 HE2 TYR 67 13.302 4.640 -7.586 476 HE2 TYR 67 HE1 TYR 67 13.221 3.212 -3.602 477 HH TYR 67 HH TYR 67 11.910 2.696 -6.447 478 H ARG 68 H ARG 68 18.489 6.501 -2.229 479 HA ARG 68 HA ARG 68 20.881 7.890 -3.249 480 HB2 ARG 68 HB2 ARG 68 19.690 7.878 -0.508 481 HB3 ARG 68 HB3 ARG 68 21.203 8.664 -0.938 482 HG2 ARG 68 HG2 ARG 68 20.026 10.207 -2.395 483 HG3 ARG 68 HG3 ARG 68 18.504 9.366 -2.094 484 HD2 ARG 68 HD2 ARG 68 20.161 10.740 0.020 485 HD3 ARG 68 HD3 ARG 68 18.756 11.452 -0.771 486 HE ARG 68 HE ARG 68 17.763 9.158 0.176 487 HH11 ARG 68 HH11 ARG 68 19.711 11.619 1.791 488 HH12 ARG 68 HH12 ARG 68 18.977 11.430 3.318 489 HH21 ARG 68 HH21 ARG 68 16.724 8.894 2.222 490 HH22 ARG 68 HH22 ARG 68 17.206 9.798 3.579 491 H LEU 69 H LEU 69 22.098 6.096 -3.745 492 HA LEU 69 HA LEU 69 23.422 4.770 -1.597 493 HB2 LEU 69 HB2 LEU 69 22.783 2.481 -2.092 494 HB3 LEU 69 HB3 LEU 69 21.404 3.396 -1.553 495 HG LEU 69 HG LEU 69 21.954 2.466 -4.389 496 HD11 LEU 69 HD11 LEU 69 19.839 1.684 -2.414 497 HD12 LEU 69 HD12 LEU 69 21.253 0.711 -2.822 498 HD13 LEU 69 HD13 LEU 69 20.016 1.046 -4.044 499 HD21 LEU 69 HD21 LEU 69 19.561 3.947 -3.301 500 HD22 LEU 69 HD22 LEU 69 19.699 3.283 -4.933 501 HD23 LEU 69 HD23 LEU 69 20.750 4.605 -4.411 502 H THR 70 H THR 70 25.235 4.109 -1.911 503 HA THR 70 HA THR 70 26.343 4.456 -4.560 504 HB THR 70 HB THR 70 27.793 3.999 -1.910 505 HG1 THR 70 HG1 THR 70 27.110 5.890 -1.356 506 HG21 THR 70 HG21 THR 70 29.602 5.292 -3.015 507 HG22 THR 70 HG22 THR 70 28.629 5.389 -4.482 508 HG23 THR 70 HG23 THR 70 29.222 3.830 -3.913 509 H LEU 71 H LEU 71 28.349 2.519 -4.484 510 HA LEU 71 HA LEU 71 26.605 0.364 -5.011 511 HB2 LEU 71 HB2 LEU 71 29.582 0.272 -5.376 512 HB3 LEU 71 HB3 LEU 71 28.358 -0.826 -5.998 513 HG LEU 71 HG LEU 71 28.926 0.472 -7.854 514 HD11 LEU 71 HD11 LEU 71 26.562 0.286 -7.552 515 HD12 LEU 71 HD12 LEU 71 26.967 1.835 -8.320 516 HD13 LEU 71 HD13 LEU 71 26.554 1.766 -6.600 517 HD21 LEU 71 HD21 LEU 71 28.620 2.852 -6.147 518 HD22 LEU 71 HD22 LEU 71 29.079 2.835 -7.882 519 HD23 LEU 71 HD23 LEU 71 30.187 2.173 -6.647 520 H ARG 72 H ARG 72 29.039 1.004 -2.693 521 HA ARG 72 HA ARG 72 29.727 -1.654 -1.911 522 HB2 ARG 72 HB2 ARG 72 30.887 -0.594 -0.076 523 HB3 ARG 72 HB3 ARG 72 31.217 0.299 -1.558 524 HG2 ARG 72 HG2 ARG 72 29.610 1.966 -0.953 525 HG3 ARG 72 HG3 ARG 72 29.134 1.044 0.455 526 HD2 ARG 72 HD2 ARG 72 31.424 1.397 1.358 527 HD3 ARG 72 HD3 ARG 72 31.735 2.472 -0.020 528 HE ARG 72 HE ARG 72 29.289 3.107 1.208 529 HH11 ARG 72 HH11 ARG 72 32.749 3.572 1.731 530 HH12 ARG 72 HH12 ARG 72 32.569 4.974 2.688 531 HH21 ARG 72 HH21 ARG 72 29.006 4.904 2.445 532 HH22 ARG 72 HH22 ARG 72 30.291 5.803 3.134 533 H GLU 73 H GLU 73 27.294 0.639 -0.857 534 HA GLU 73 HA GLU 73 26.418 -0.352 1.546 535 HB2 GLU 73 HB2 GLU 73 24.961 0.806 -0.822 536 HB3 GLU 73 HB3 GLU 73 24.177 0.486 0.709 537 HG2 GLU 73 HG2 GLU 73 24.841 2.804 0.186 538 HG3 GLU 73 HG3 GLU 73 25.365 2.222 1.788 539 H LEU 74 H LEU 74 25.441 -1.171 -1.664 540 HA LEU 74 HA LEU 74 23.641 -3.271 -0.909 541 HB2 LEU 74 HB2 LEU 74 24.767 -2.804 -3.671 542 HB3 LEU 74 HB3 LEU 74 23.386 -3.795 -3.270 543 HG LEU 74 HG LEU 74 22.444 -1.526 -2.330 544 HD11 LEU 74 HD11 LEU 74 24.384 -0.208 -2.633 545 HD12 LEU 74 HD12 LEU 74 23.144 0.357 -3.745 546 HD13 LEU 74 HD13 LEU 74 24.485 -0.622 -4.333 547 HD21 LEU 74 HD21 LEU 74 22.553 -2.123 -5.280 548 HD22 LEU 74 HD22 LEU 74 21.383 -1.087 -4.444 549 HD23 LEU 74 HD23 LEU 74 21.413 -2.817 -4.115 550 H TYR 75 H TYR 75 26.956 -3.223 -1.159 551 HA TYR 75 HA TYR 75 27.135 -6.114 -1.676 552 HB2 TYR 75 HB2 TYR 75 29.155 -3.922 -1.640 553 HB3 TYR 75 HB3 TYR 75 29.671 -5.594 -1.620 554 HD1 TYR 75 HD2 TYR 75 28.132 -7.017 -3.379 555 HD2 TYR 75 HD1 TYR 75 29.236 -2.957 -3.645 556 HE1 TYR 75 HE2 TYR 75 27.802 -7.113 -5.812 557 HE2 TYR 75 HE1 TYR 75 28.894 -3.007 -6.090 558 HH TYR 75 HH TYR 75 28.893 -4.774 -7.901 559 H ALA 76 H ALA 76 27.482 -3.751 0.802 560 HA ALA 76 HA ALA 76 28.793 -5.551 2.493 561 HB1 ALA 76 HB1 ALA 76 28.435 -3.863 4.284 562 HB2 ALA 76 HB2 ALA 76 27.385 -2.965 3.188 563 HB3 ALA 76 HB3 ALA 76 29.097 -3.152 2.810 564 H ALA 77 H ALA 77 25.519 -4.554 1.882 565 HA ALA 77 HA ALA 77 24.590 -6.878 3.364 566 HB1 ALA 77 HB1 ALA 77 24.170 -4.934 4.819 567 HB2 ALA 77 HB2 ALA 77 22.661 -5.649 4.248 568 HB3 ALA 77 HB3 ALA 77 23.263 -4.162 3.517 569 HA PRO 78 HA PRO 78 22.763 -6.695 -0.820 570 HB2 PRO 78 HB2 PRO 78 23.732 -9.329 -1.363 571 HB3 PRO 78 HB3 PRO 78 24.335 -7.805 -2.046 572 HG2 PRO 78 HG2 PRO 78 25.800 -9.403 -0.373 573 HG3 PRO 78 HG3 PRO 78 26.067 -7.664 -0.598 574 HD2 PRO 78 HD2 PRO 78 24.608 -9.068 1.600 575 HD3 PRO 78 HD3 PRO 78 25.722 -7.680 1.678 576 H THR 79 H THR 79 20.759 -6.856 0.336 577 HA THR 79 HA THR 79 19.532 -9.473 0.059 578 HB THR 79 HB THR 79 18.364 -9.194 2.271 579 HG1 THR 79 HG1 THR 79 20.347 -7.306 2.931 580 HG21 THR 79 HG21 THR 79 21.376 -9.295 2.555 581 HG22 THR 79 HG22 THR 79 20.330 -10.673 2.213 582 HG23 THR 79 HG23 THR 79 20.214 -9.842 3.763 583 H LEU 80 H LEU 80 17.416 -9.163 -0.708 584 HA LEU 80 HA LEU 80 16.712 -6.507 -1.503 585 HB2 LEU 80 HB2 LEU 80 15.080 -9.027 -1.508 586 HB3 LEU 80 HB3 LEU 80 14.562 -7.513 -2.227 587 HG LEU 80 HG LEU 80 16.935 -9.113 -2.962 588 HD11 LEU 80 HD11 LEU 80 14.626 -9.973 -3.695 589 HD12 LEU 80 HD12 LEU 80 15.715 -9.575 -5.037 590 HD13 LEU 80 HD13 LEU 80 14.483 -8.414 -4.542 591 HD21 LEU 80 HD21 LEU 80 15.863 -6.563 -4.159 592 HD22 LEU 80 HD22 LEU 80 17.096 -7.561 -4.909 593 HD23 LEU 80 HD23 LEU 80 17.424 -6.792 -3.359 594 H ALA 81 H ALA 81 16.129 -8.512 1.046 595 HA ALA 81 HA ALA 81 13.981 -7.296 2.377 596 HB1 ALA 81 HB1 ALA 81 15.017 -9.348 3.210 597 HB2 ALA 81 HB2 ALA 81 14.942 -8.129 4.485 598 HB3 ALA 81 HB3 ALA 81 16.466 -8.448 3.657 599 H ALA 82 H ALA 82 17.480 -6.482 2.794 600 HA ALA 82 HA ALA 82 16.834 -4.115 4.290 601 HB1 ALA 82 HB1 ALA 82 18.918 -5.365 4.701 602 HB2 ALA 82 HB2 ALA 82 19.226 -3.675 4.297 603 HB3 ALA 82 HB3 ALA 82 19.479 -4.933 3.087 604 H TRP 83 H TRP 83 17.722 -4.799 0.938 605 HA TRP 83 HA TRP 83 18.093 -2.109 0.161 606 HB2 TRP 83 HB2 TRP 83 17.082 -4.409 -1.534 607 HB3 TRP 83 HB3 TRP 83 17.577 -2.847 -2.154 608 HD1 TRP 83 HD1 TRP 83 20.030 -3.702 0.431 609 HE1 TRP 83 HE1 TRP 83 22.103 -4.807 -0.558 610 HE3 TRP 83 HE3 TRP 83 18.226 -4.682 -4.244 611 HZ2 TRP 83 HZ2 TRP 83 22.891 -5.950 -3.051 612 HZ3 TRP 83 HZ3 TRP 83 19.706 -5.770 -5.877 613 HH2 TRP 83 HH2 TRP 83 21.989 -6.388 -5.292 614 H ASN 84 H ASN 84 15.185 -4.015 0.591 615 HA ASN 84 HA ASN 84 13.323 -2.389 -0.732 616 HB2 ASN 84 HB2 ASN 84 12.826 -4.618 0.287 617 HB3 ASN 84 HB3 ASN 84 12.902 -3.872 1.879 618 HD21 ASN 84 HD21 ASN 84 10.809 -4.263 2.427 619 HD22 ASN 84 HD22 ASN 84 9.471 -3.510 1.626 620 H GLN 85 H GLN 85 14.728 -2.124 2.497 621 HA GLN 85 HA GLN 85 13.157 0.048 3.421 622 HB2 GLN 85 HB2 GLN 85 15.965 -0.797 4.221 623 HB3 GLN 85 HB3 GLN 85 14.899 0.240 5.168 624 HG2 GLN 85 HG2 GLN 85 14.422 -2.659 4.484 625 HG3 GLN 85 HG3 GLN 85 14.973 -2.042 6.036 626 HE21 GLN 85 HE21 GLN 85 13.179 0.243 6.124 627 HE22 GLN 85 HE22 GLN 85 11.610 -0.398 6.368 628 H LEU 86 H LEU 86 16.356 -0.216 1.982 629 HA LEU 86 HA LEU 86 17.057 2.417 1.581 630 HB2 LEU 86 HB2 LEU 86 17.606 -0.137 0.227 631 HB3 LEU 86 HB3 LEU 86 17.968 1.307 -0.687 632 HG LEU 86 HG LEU 86 19.080 0.963 2.087 633 HD11 LEU 86 HD11 LEU 86 21.088 0.046 0.995 634 HD12 LEU 86 HD12 LEU 86 20.224 0.004 -0.547 635 HD13 LEU 86 HD13 LEU 86 19.710 -1.034 0.787 636 HD21 LEU 86 HD21 LEU 86 19.981 2.313 -0.394 637 HD22 LEU 86 HD22 LEU 86 20.707 2.503 1.215 638 HD23 LEU 86 HD23 LEU 86 19.069 3.128 0.867 639 H MET 87 H MET 87 14.782 0.455 -0.172 640 HA MET 87 HA MET 87 14.536 2.170 -2.450 641 HB2 MET 87 HB2 MET 87 12.762 -0.079 -1.519 642 HB3 MET 87 HB3 MET 87 12.675 0.691 -3.087 643 HG2 MET 87 HG2 MET 87 15.064 -0.812 -2.045 644 HG3 MET 87 HG3 MET 87 13.810 -1.518 -3.053 645 HE1 MET 87 HE1 MET 87 14.168 0.176 -6.385 646 HE2 MET 87 HE2 MET 87 13.105 0.627 -5.041 647 HE3 MET 87 HE3 MET 87 13.416 -1.065 -5.367 648 H LEU 88 H LEU 88 12.104 1.172 -0.009 649 HA LEU 88 HA LEU 88 10.640 3.406 -0.992 650 HB2 LEU 88 HB2 LEU 88 8.655 2.407 0.200 651 HB3 LEU 88 HB3 LEU 88 9.287 1.771 -1.303 652 HG LEU 88 HG LEU 88 10.489 0.058 0.084 653 HD11 LEU 88 HD11 LEU 88 8.543 1.003 2.165 654 HD12 LEU 88 HD12 LEU 88 10.276 1.290 2.154 655 HD13 LEU 88 HD13 LEU 88 9.665 -0.375 2.302 656 HD21 LEU 88 HD21 LEU 88 8.616 -0.236 -1.299 657 HD22 LEU 88 HD22 LEU 88 7.512 0.186 0.014 658 HD23 LEU 88 HD23 LEU 88 8.491 -1.312 0.110 659 H SER 89 H SER 89 12.254 2.773 1.843 660 HA SER 89 HA SER 89 10.892 4.915 3.242 661 HB2 SER 89 HB2 SER 89 13.560 3.637 3.831 662 HB3 SER 89 HB3 SER 89 12.554 4.544 4.960 663 HG SER 89 HG SER 89 12.504 2.268 5.160 664 H ARG 90 H ARG 90 13.000 4.588 0.761 665 HA ARG 90 HA ARG 90 14.338 5.787 -0.419 666 HB2 ARG 90 HB2 ARG 90 12.824 8.051 0.798 667 HB3 ARG 90 HB3 ARG 90 14.103 8.327 -0.384 668 HG2 ARG 90 HG2 ARG 90 11.800 6.493 -0.812 669 HG3 ARG 90 HG3 ARG 90 11.799 8.186 -1.359 670 HD2 ARG 90 HD2 ARG 90 13.809 7.667 -2.731 671 HD3 ARG 90 HD3 ARG 90 13.749 6.003 -2.200 672 HE ARG 90 HE ARG 90 11.596 5.804 -3.276 673 HH11 ARG 90 HH11 ARG 90 13.692 8.458 -4.340 674 HH12 ARG 90 HH12 ARG 90 13.006 8.572 -5.895 675 HH21 ARG 90 HH21 ARG 90 10.730 5.914 -5.442 676 HH22 ARG 90 HH22 ARG 90 11.220 7.153 -6.529 677 H SER 91 H SER 91 15.522 4.683 1.227 678 HA SER 91 HA SER 91 17.671 4.361 1.879 679 HB2 SER 91 HB2 SER 91 18.237 7.025 0.639 680 HB3 SER 91 HB3 SER 91 19.331 5.644 0.785 681 HG SER 91 HG SER 91 17.313 4.666 -0.479 682 HA PRO 92 HA PRO 92 18.149 7.182 5.492 683 HB2 PRO 92 HB2 PRO 92 16.077 6.887 7.152 684 HB3 PRO 92 HB3 PRO 92 15.939 7.973 5.751 685 HG2 PRO 92 HG2 PRO 92 14.632 5.399 6.201 686 HG3 PRO 92 HG3 PRO 92 14.220 6.696 5.068 687 HD2 PRO 92 HD2 PRO 92 15.728 4.261 4.546 688 HD3 PRO 92 HD3 PRO 92 15.105 5.461 3.396 689 H GLU 93 H GLU 93 17.945 4.046 4.784 690 HA GLU 93 HA GLU 93 18.786 2.952 7.307 691 HB2 GLU 93 HB2 GLU 93 16.686 1.757 5.452 692 HB3 GLU 93 HB3 GLU 93 17.293 1.034 6.930 693 HG2 GLU 93 HG2 GLU 93 16.189 2.728 8.259 694 HG3 GLU 93 HG3 GLU 93 15.693 3.589 6.805 Start of MODEL 20 1 H ASP 14 HT1 ASP 14 2.274 7.693 -1.116 2 HA ASP 14 HA ASP 14 3.996 7.669 1.228 3 HB2 ASP 14 HB2 ASP 14 3.637 5.257 0.988 4 HB3 ASP 14 HB3 ASP 14 2.057 6.040 1.065 5 H ASN 15 H ASN 15 5.450 5.479 0.081 6 HA ASN 15 HA ASN 15 6.797 6.909 -2.082 7 HB2 ASN 15 HB2 ASN 15 8.177 6.194 -0.089 8 HB3 ASN 15 HB3 ASN 15 7.758 4.527 -0.452 9 HD21 ASN 15 HD21 ASN 15 10.420 5.670 -0.308 10 HD22 ASN 15 HD22 ASN 15 11.108 5.446 -1.863 11 H ARG 16 H ARG 16 6.160 6.414 -3.950 12 HA ARG 16 HA ARG 16 4.633 4.045 -4.493 13 HB2 ARG 16 HB2 ARG 16 5.488 6.329 -6.253 14 HB3 ARG 16 HB3 ARG 16 4.405 5.040 -6.747 15 HG2 ARG 16 HG2 ARG 16 3.864 6.812 -4.401 16 HG3 ARG 16 HG3 ARG 16 3.333 7.237 -6.032 17 HD2 ARG 16 HD2 ARG 16 1.459 6.198 -4.958 18 HD3 ARG 16 HD3 ARG 16 2.106 5.009 -6.078 19 HE ARG 16 HE ARG 16 2.553 4.996 -3.159 20 HH11 ARG 16 HH11 ARG 16 1.958 3.192 -6.154 21 HH12 ARG 16 HH12 ARG 16 1.968 1.662 -5.394 22 HH21 ARG 16 HH21 ARG 16 2.602 3.021 -2.170 23 HH22 ARG 16 HH22 ARG 16 2.353 1.530 -2.973 24 H HIS 17 H HIS 17 7.906 4.682 -4.502 25 HA HIS 17 HA HIS 17 8.556 3.222 -6.849 26 HB2 HIS 17 HB2 HIS 17 10.364 4.211 -4.648 27 HB3 HIS 17 HB3 HIS 17 10.917 3.466 -6.153 28 HD1 HIS 17 HD1 HIS 17 10.871 6.620 -4.925 29 HD2 HIS 17 HD2 HIS 17 9.188 4.944 -8.317 30 HE1 HIS 17 HE1 HIS 17 10.396 8.568 -6.503 31 H ALA 18 H ALA 18 7.830 2.375 -3.695 32 HA ALA 18 HA ALA 18 9.075 -0.137 -3.706 33 HB1 ALA 18 HB1 ALA 18 8.174 0.836 -1.717 34 HB2 ALA 18 HB2 ALA 18 7.470 -0.761 -1.995 35 HB3 ALA 18 HB3 ALA 18 6.518 0.704 -2.335 36 H ALA 19 H ALA 19 6.478 1.128 -5.559 37 HA ALA 19 HA ALA 19 5.449 -1.465 -6.328 38 HB1 ALA 19 HB1 ALA 19 4.111 -0.232 -7.976 39 HB2 ALA 19 HB2 ALA 19 4.974 1.252 -7.573 40 HB3 ALA 19 HB3 ALA 19 3.935 0.481 -6.371 41 H ASP 20 H ASP 20 7.693 0.979 -7.514 42 HA ASP 20 HA ASP 20 8.386 -0.055 -10.010 43 HB2 ASP 20 HB2 ASP 20 9.161 2.166 -9.144 44 HB3 ASP 20 HB3 ASP 20 10.145 1.371 -7.943 45 H TYR 21 H TYR 21 9.588 -0.605 -6.805 46 HA TYR 21 HA TYR 21 11.522 -2.586 -6.838 47 HB2 TYR 21 HB2 TYR 21 10.783 -1.405 -4.870 48 HB3 TYR 21 HB3 TYR 21 9.198 -2.127 -4.990 49 HD1 TYR 21 HD1 TYR 21 8.824 -4.416 -4.259 50 HD2 TYR 21 HD2 TYR 21 12.652 -2.599 -3.968 51 HE1 TYR 21 HE1 TYR 21 9.521 -6.159 -2.680 52 HE2 TYR 21 HE2 TYR 21 13.349 -4.324 -2.386 53 HH TYR 21 HH TYR 21 12.389 -5.822 -0.871 54 H GLN 22 H GLN 22 8.060 -3.060 -7.375 55 HA GLN 22 HA GLN 22 8.152 -5.855 -6.955 56 HB2 GLN 22 HB2 GLN 22 6.098 -4.120 -8.306 57 HB3 GLN 22 HB3 GLN 22 5.901 -5.858 -8.101 58 HG2 GLN 22 HG2 GLN 22 6.314 -3.892 -5.858 59 HG3 GLN 22 HG3 GLN 22 4.757 -4.562 -6.350 60 HE21 GLN 22 HE21 GLN 22 4.310 -6.707 -5.912 61 HE22 GLN 22 HE22 GLN 22 5.244 -7.629 -4.779 62 H GLN 23 H GLN 23 8.813 -3.862 -9.687 63 HA GLN 23 HA GLN 23 8.801 -6.035 -11.561 64 HB2 GLN 23 HB2 GLN 23 10.188 -3.349 -11.738 65 HB3 GLN 23 HB3 GLN 23 9.886 -4.434 -13.087 66 HG2 GLN 23 HG2 GLN 23 7.668 -3.216 -11.457 67 HG3 GLN 23 HG3 GLN 23 8.382 -2.384 -12.822 68 HE21 GLN 23 HE21 GLN 23 7.900 -5.926 -12.999 69 HE22 GLN 23 HE22 GLN 23 6.569 -5.803 -14.045 70 H LEU 24 H LEU 24 11.094 -4.457 -9.460 71 HA LEU 24 HA LEU 24 13.556 -5.613 -10.332 72 HB2 LEU 24 HB2 LEU 24 12.858 -3.769 -8.470 73 HB3 LEU 24 HB3 LEU 24 13.054 -5.145 -7.422 74 HG LEU 24 HG LEU 24 15.141 -3.784 -9.100 75 HD11 LEU 24 HD11 LEU 24 14.725 -2.632 -7.097 76 HD12 LEU 24 HD12 LEU 24 16.238 -3.539 -6.883 77 HD13 LEU 24 HD13 LEU 24 14.748 -4.124 -6.164 78 HD21 LEU 24 HD21 LEU 24 15.613 -6.135 -9.267 79 HD22 LEU 24 HD22 LEU 24 15.384 -6.332 -7.536 80 HD23 LEU 24 HD23 LEU 24 16.762 -5.396 -8.142 81 H ARG 25 H ARG 25 11.071 -6.604 -8.082 82 HA ARG 25 HA ARG 25 12.070 -8.908 -6.937 83 HB2 ARG 25 HB2 ARG 25 9.306 -8.023 -7.669 84 HB3 ARG 25 HB3 ARG 25 9.554 -9.636 -7.020 85 HG2 ARG 25 HG2 ARG 25 10.642 -7.241 -5.642 86 HG3 ARG 25 HG3 ARG 25 8.952 -7.730 -5.413 87 HD2 ARG 25 HD2 ARG 25 9.565 -9.826 -4.564 88 HD3 ARG 25 HD3 ARG 25 11.252 -9.656 -5.074 89 HE ARG 25 HE ARG 25 10.528 -7.710 -3.167 90 HH11 ARG 25 HH11 ARG 25 11.176 -11.236 -3.388 91 HH12 ARG 25 HH12 ARG 25 11.843 -11.240 -1.791 92 HH21 ARG 25 HH21 ARG 25 11.481 -7.939 -1.028 93 HH22 ARG 25 HH22 ARG 25 12.035 -9.514 -0.548 94 H GLU 26 H GLU 26 10.578 -8.535 -10.048 95 HA GLU 26 HA GLU 26 10.520 -11.343 -10.725 96 HB2 GLU 26 HB2 GLU 26 10.692 -9.072 -12.672 97 HB3 GLU 26 HB3 GLU 26 10.008 -10.657 -12.922 98 HG2 GLU 26 HG2 GLU 26 8.079 -10.112 -11.773 99 HG3 GLU 26 HG3 GLU 26 8.808 -8.660 -11.053 100 H ARG 27 H ARG 27 12.436 -8.535 -11.559 101 HA ARG 27 HA ARG 27 13.850 -9.671 -13.579 102 HB2 ARG 27 HB2 ARG 27 14.693 -7.311 -12.000 103 HB3 ARG 27 HB3 ARG 27 15.283 -7.787 -13.599 104 HG2 ARG 27 HG2 ARG 27 12.459 -7.149 -12.887 105 HG3 ARG 27 HG3 ARG 27 13.637 -6.138 -13.767 106 HD2 ARG 27 HD2 ARG 27 13.261 -7.205 -15.699 107 HD3 ARG 27 HD3 ARG 27 13.105 -8.792 -14.979 108 HE ARG 27 HE ARG 27 10.846 -7.417 -14.196 109 HH11 ARG 27 HH11 ARG 27 12.262 -8.341 -17.287 110 HH12 ARG 27 HH12 ARG 27 10.762 -8.473 -18.096 111 HH21 ARG 27 HH21 ARG 27 8.878 -7.693 -15.153 112 HH22 ARG 27 HH22 ARG 27 8.672 -8.092 -16.784 113 H LEU 28 H LEU 28 14.630 -9.496 -10.188 114 HA LEU 28 HA LEU 28 17.286 -10.432 -10.479 115 HB2 LEU 28 HB2 LEU 28 15.426 -10.447 -8.135 116 HB3 LEU 28 HB3 LEU 28 17.034 -11.149 -8.057 117 HG LEU 28 HG LEU 28 16.328 -8.270 -8.552 118 HD11 LEU 28 HD11 LEU 28 16.203 -9.031 -6.246 119 HD12 LEU 28 HD12 LEU 28 17.554 -7.918 -6.500 120 HD13 LEU 28 HD13 LEU 28 17.847 -9.655 -6.371 121 HD21 LEU 28 HD21 LEU 28 18.774 -7.925 -8.598 122 HD22 LEU 28 HD22 LEU 28 18.135 -8.817 -9.966 123 HD23 LEU 28 HD23 LEU 28 18.978 -9.686 -8.679 124 H ILE 29 H ILE 29 14.295 -12.071 -9.786 125 HA ILE 29 HA ILE 29 15.269 -14.637 -9.596 126 HB ILE 29 HB ILE 29 12.644 -13.405 -10.275 127 HG12 ILE 29 HG12 ILE 29 11.866 -14.626 -8.333 128 HG13 ILE 29 HG11 ILE 29 13.396 -15.484 -8.233 129 HG21 ILE 29 HG21 ILE 29 12.644 -15.200 -11.877 130 HG22 ILE 29 HG22 ILE 29 11.486 -15.474 -10.573 131 HG23 ILE 29 HG23 ILE 29 13.015 -16.362 -10.587 132 HD11 ILE 29 HD11 ILE 29 13.213 -13.676 -6.596 133 HD12 ILE 29 HD12 ILE 29 13.049 -12.526 -7.947 134 HD13 ILE 29 HD13 ILE 29 14.540 -13.483 -7.755 135 H GLN 30 H GLN 30 14.844 -12.704 -12.405 136 HA GLN 30 HA GLN 30 14.972 -14.824 -14.319 137 HB2 GLN 30 HB2 GLN 30 15.696 -11.946 -14.846 138 HB3 GLN 30 HB3 GLN 30 15.031 -13.134 -15.969 139 HG2 GLN 30 HG2 GLN 30 12.954 -13.169 -14.536 140 HG3 GLN 30 HG3 GLN 30 13.689 -11.833 -13.656 141 HE21 GLN 30 HE21 GLN 30 11.208 -11.983 -15.160 142 HE22 GLN 30 HE22 GLN 30 11.271 -10.710 -16.324 143 H GLU 31 H GLU 31 17.331 -12.697 -12.771 144 HA GLU 31 HA GLU 31 19.505 -13.790 -14.345 145 HB2 GLU 31 HB2 GLU 31 19.653 -11.988 -11.921 146 HB3 GLU 31 HB3 GLU 31 20.979 -12.382 -13.002 147 HG2 GLU 31 HG2 GLU 31 19.477 -11.346 -14.828 148 HG3 GLU 31 HG3 GLU 31 18.613 -10.674 -13.432 149 H LEU 32 H LEU 32 18.080 -14.152 -11.209 150 HA LEU 32 HA LEU 32 20.179 -15.677 -10.142 151 HB2 LEU 32 HB2 LEU 32 17.337 -15.247 -9.134 152 HB3 LEU 32 HB3 LEU 32 18.628 -16.029 -8.238 153 HG LEU 32 HG LEU 32 18.477 -13.221 -9.181 154 HD11 LEU 32 HD11 LEU 32 18.469 -12.657 -6.783 155 HD12 LEU 32 HD12 LEU 32 18.402 -14.382 -6.408 156 HD13 LEU 32 HD13 LEU 32 17.075 -13.612 -7.284 157 HD21 LEU 32 HD21 LEU 32 20.748 -13.808 -9.329 158 HD22 LEU 32 HD22 LEU 32 20.738 -14.581 -7.738 159 HD23 LEU 32 HD23 LEU 32 20.554 -12.825 -7.881 160 H ASN 33 H ASN 33 17.443 -16.390 -12.098 161 HA ASN 33 HA ASN 33 16.816 -18.164 -13.261 162 HB2 ASN 33 HB2 ASN 33 19.592 -19.027 -12.556 163 HB3 ASN 33 HB3 ASN 33 18.526 -20.136 -13.408 164 HD21 ASN 33 HD21 ASN 33 20.207 -17.045 -13.606 165 HD22 ASN 33 HD22 ASN 33 20.053 -16.922 -15.325 166 H LEU 34 H LEU 34 16.178 -18.126 -10.341 167 HA LEU 34 HA LEU 34 15.288 -20.883 -10.269 168 HB2 LEU 34 HB2 LEU 34 15.790 -21.209 -8.037 169 HB3 LEU 34 HB3 LEU 34 17.247 -20.546 -8.722 170 HG LEU 34 HG LEU 34 15.297 -19.205 -6.850 171 HD11 LEU 34 HD11 LEU 34 18.180 -19.959 -6.607 172 HD12 LEU 34 HD12 LEU 34 16.806 -20.782 -5.871 173 HD13 LEU 34 HD13 LEU 34 17.223 -19.136 -5.366 174 HD21 LEU 34 HD21 LEU 34 17.757 -18.030 -8.125 175 HD22 LEU 34 HD22 LEU 34 16.759 -17.250 -6.888 176 HD23 LEU 34 HD23 LEU 34 16.096 -17.586 -8.495 177 H THR 35 H THR 35 13.559 -20.891 -8.202 178 HA THR 35 HA THR 35 11.582 -19.021 -9.184 179 HB THR 35 HB THR 35 11.175 -20.889 -6.913 180 HG1 THR 35 HG1 THR 35 11.870 -21.546 -9.564 181 HG21 THR 35 HG21 THR 35 9.201 -19.734 -7.620 182 HG22 THR 35 HG22 THR 35 9.035 -21.388 -8.200 183 HG23 THR 35 HG23 THR 35 9.516 -20.112 -9.314 184 HA PRO 36 HA PRO 36 12.407 -16.010 -6.038 185 HB2 PRO 36 HB2 PRO 36 9.742 -15.593 -5.151 186 HB3 PRO 36 HB3 PRO 36 10.595 -14.678 -6.407 187 HG2 PRO 36 HG2 PRO 36 8.651 -16.867 -6.694 188 HG3 PRO 36 HG3 PRO 36 9.021 -15.524 -7.792 189 HD2 PRO 36 HD2 PRO 36 9.855 -18.084 -8.262 190 HD3 PRO 36 HD3 PRO 36 10.779 -16.654 -8.796 191 H GLN 37 H GLN 37 10.259 -18.663 -5.206 192 HA GLN 37 HA GLN 37 10.493 -18.347 -2.372 193 HB2 GLN 37 HB2 GLN 37 9.399 -20.640 -4.012 194 HB3 GLN 37 HB3 GLN 37 9.352 -20.572 -2.263 195 HG2 GLN 37 HG2 GLN 37 7.196 -19.981 -3.102 196 HG3 GLN 37 HG3 GLN 37 7.935 -18.530 -2.440 197 HE21 GLN 37 HE21 GLN 37 6.591 -17.210 -3.647 198 HE22 GLN 37 HE22 GLN 37 6.774 -17.015 -5.356 199 H GLN 38 H GLN 38 12.665 -19.624 -4.686 200 HA GLN 38 HA GLN 38 13.697 -21.564 -2.765 201 HB2 GLN 38 HB2 GLN 38 14.390 -21.118 -5.668 202 HB3 GLN 38 HB3 GLN 38 15.134 -22.323 -4.634 203 HG2 GLN 38 HG2 GLN 38 12.909 -23.378 -4.348 204 HG3 GLN 38 HG3 GLN 38 12.255 -22.203 -5.490 205 HE21 GLN 38 HE21 GLN 38 11.672 -23.780 -6.979 206 HE22 GLN 38 HE22 GLN 38 12.858 -24.637 -7.896 207 H LEU 39 H LEU 39 14.059 -18.387 -3.142 208 HA LEU 39 HA LEU 39 16.951 -18.583 -2.887 209 HB2 LEU 39 HB2 LEU 39 17.262 -16.369 -3.700 210 HB3 LEU 39 HB3 LEU 39 16.182 -17.172 -4.805 211 HG LEU 39 HG LEU 39 14.293 -15.895 -3.590 212 HD11 LEU 39 HD11 LEU 39 14.995 -13.774 -2.517 213 HD12 LEU 39 HD12 LEU 39 16.684 -14.301 -2.658 214 HD13 LEU 39 HD13 LEU 39 15.603 -15.181 -1.634 215 HD21 LEU 39 HD21 LEU 39 15.042 -15.378 -5.865 216 HD22 LEU 39 HD22 LEU 39 16.359 -14.414 -5.214 217 HD23 LEU 39 HD23 LEU 39 14.699 -13.897 -4.979 218 H HIS 40 H HIS 40 17.964 -17.064 -1.444 219 HA HIS 40 HA HIS 40 16.487 -17.018 1.077 220 HB2 HIS 40 HB2 HIS 40 19.378 -17.053 0.356 221 HB3 HIS 40 HB3 HIS 40 18.783 -16.676 1.959 222 HD1 HIS 40 HD1 HIS 40 18.398 -18.576 3.496 223 HD2 HIS 40 HD2 HIS 40 18.667 -19.807 -0.461 224 HE1 HIS 40 HE1 HIS 40 18.439 -21.115 3.544 225 H GLU 41 H GLU 41 15.680 -15.015 1.530 226 HA GLU 41 HA GLU 41 17.265 -12.731 0.776 227 HB2 GLU 41 HB2 GLU 41 14.508 -12.776 1.943 228 HB3 GLU 41 HB3 GLU 41 15.434 -11.291 1.733 229 HG2 GLU 41 HG2 GLU 41 15.721 -12.114 -0.699 230 HG3 GLU 41 HG3 GLU 41 14.332 -13.132 -0.329 231 H GLU 42 H GLU 42 17.195 -14.662 3.423 232 HA GLU 42 HA GLU 42 18.258 -12.542 5.080 233 HB2 GLU 42 HB2 GLU 42 18.753 -14.753 6.620 234 HB3 GLU 42 HB3 GLU 42 17.280 -13.820 6.706 235 HG2 GLU 42 HG2 GLU 42 17.061 -16.352 6.652 236 HG3 GLU 42 HG3 GLU 42 16.056 -15.447 5.532 237 H SER 43 H SER 43 19.203 -15.099 3.105 238 HA SER 43 HA SER 43 22.020 -14.820 3.733 239 HB2 SER 43 HB2 SER 43 20.607 -16.502 1.698 240 HB3 SER 43 HB3 SER 43 22.310 -16.597 2.070 241 HG SER 43 HG SER 43 20.214 -17.154 3.969 242 H ASN 44 H ASN 44 23.397 -14.661 1.654 243 HA ASN 44 HA ASN 44 22.527 -12.199 0.471 244 HB2 ASN 44 HB2 ASN 44 25.109 -13.717 0.015 245 HB3 ASN 44 HB3 ASN 44 24.777 -12.090 -0.556 246 HD21 ASN 44 HD21 ASN 44 25.556 -14.076 2.195 247 HD22 ASN 44 HD22 ASN 44 25.926 -12.748 3.243 248 H LEU 45 H LEU 45 22.244 -11.765 -1.733 249 HA LEU 45 HA LEU 45 21.193 -13.998 -3.185 250 HB2 LEU 45 HB2 LEU 45 21.544 -11.123 -4.010 251 HB3 LEU 45 HB3 LEU 45 20.711 -12.329 -4.972 252 HG LEU 45 HG LEU 45 19.866 -11.269 -2.279 253 HD11 LEU 45 HD11 LEU 45 19.519 -9.691 -4.078 254 HD12 LEU 45 HD12 LEU 45 17.973 -10.347 -3.528 255 HD13 LEU 45 HD13 LEU 45 18.702 -10.936 -5.022 256 HD21 LEU 45 HD21 LEU 45 18.537 -13.305 -4.061 257 HD22 LEU 45 HD22 LEU 45 17.822 -12.561 -2.633 258 HD23 LEU 45 HD23 LEU 45 19.233 -13.604 -2.463 259 H ILE 46 H ILE 46 24.181 -12.616 -2.881 260 HA ILE 46 HA ILE 46 25.248 -13.248 -5.465 261 HB ILE 46 HB ILE 46 26.626 -12.552 -2.842 262 HG12 ILE 46 HG12 ILE 46 25.934 -10.858 -5.238 263 HG13 ILE 46 HG11 ILE 46 25.129 -10.805 -3.673 264 HG21 ILE 46 HG21 ILE 46 27.729 -12.569 -5.662 265 HG22 ILE 46 HG22 ILE 46 28.218 -13.662 -4.352 266 HG23 ILE 46 HG23 ILE 46 28.547 -11.922 -4.245 267 HD11 ILE 46 HD11 ILE 46 26.596 -8.939 -3.934 268 HD12 ILE 46 HD12 ILE 46 27.965 -9.987 -4.300 269 HD13 ILE 46 HD13 ILE 46 27.221 -10.008 -2.679 270 H GLN 47 H GLN 47 24.308 -15.056 -2.887 271 HA GLN 47 HA GLN 47 26.129 -17.273 -3.246 272 HB2 GLN 47 HB2 GLN 47 23.507 -17.057 -1.785 273 HB3 GLN 47 HB3 GLN 47 24.582 -18.451 -1.695 274 HG2 GLN 47 HG2 GLN 47 26.288 -17.139 -0.624 275 HG3 GLN 47 HG3 GLN 47 25.375 -15.661 -0.882 276 HE21 GLN 47 HE21 GLN 47 23.898 -18.654 0.183 277 HE22 GLN 47 HE22 GLN 47 23.532 -18.114 1.779 278 H ALA 48 H ALA 48 23.649 -15.932 -4.892 279 HA ALA 48 HA ALA 48 23.033 -18.335 -6.434 280 HB1 ALA 48 HB1 ALA 48 21.395 -15.810 -6.007 281 HB2 ALA 48 HB2 ALA 48 20.990 -17.416 -5.395 282 HB3 ALA 48 HB3 ALA 48 20.968 -17.100 -7.131 283 H GLY 49 H GLY 49 22.320 -17.137 -8.826 284 HA2 GLY 49 HA2 GLY 49 24.915 -16.197 -9.655 285 HA3 GLY 49 HA3 GLY 49 23.514 -16.411 -10.692 286 H LEU 50 H LEU 50 25.161 -14.205 -8.486 287 HA LEU 50 HA LEU 50 24.022 -11.962 -9.877 288 HB2 LEU 50 HB2 LEU 50 22.756 -12.429 -7.733 289 HB3 LEU 50 HB3 LEU 50 24.267 -12.241 -6.873 290 HG LEU 50 HG LEU 50 24.396 -10.005 -7.940 291 HD11 LEU 50 HD11 LEU 50 21.428 -10.512 -8.275 292 HD12 LEU 50 HD12 LEU 50 22.594 -10.243 -9.567 293 HD13 LEU 50 HD13 LEU 50 22.194 -8.934 -8.453 294 HD21 LEU 50 HD21 LEU 50 24.029 -10.274 -5.572 295 HD22 LEU 50 HD22 LEU 50 22.301 -10.519 -5.838 296 HD23 LEU 50 HD23 LEU 50 23.034 -8.949 -6.165 297 H ASP 51 H ASP 51 25.954 -11.391 -10.783 298 HA ASP 51 HA ASP 51 28.461 -11.767 -9.372 299 HB2 ASP 51 HB2 ASP 51 27.960 -10.598 -12.129 300 HB3 ASP 51 HB3 ASP 51 29.537 -10.974 -11.454 301 H 4HJ 52 H 4HJ 52 28.859 -9.123 -11.287 302 HA 4HJ 52 HA 4HJ 52 28.898 -7.284 -8.980 303 HAA 4HJ 52 HAA 4HJ 52 30.562 -10.814 -8.444 304 HB3 4HJ 52 HB3 4HJ 52 30.514 -6.113 -10.190 305 HB2 4HJ 52 HB2 4HJ 52 31.184 -7.697 -9.845 306 HZ1 4HJ 52 HZ1 4HJ 52 29.830 -11.777 -6.398 307 HZ2 4HJ 52 HZ2 4HJ 52 31.758 -8.695 -8.480 308 HZ 4HJ 52 HZ 4HJ 52 30.531 -10.146 -3.214 309 HJ2 4HJ 52 HJ2 4HJ 52 32.070 -3.424 -11.660 310 HJ3 4HJ 52 HJ3 4HJ 52 30.818 -4.170 -10.677 311 HL12 4HJ 52 HL12 4HJ 52 32.995 -5.771 -9.199 312 HL11 4HJ 52 HL11 4HJ 52 31.617 -5.122 -8.368 313 HL13 4HJ 52 HL13 4HJ 52 33.188 -4.720 -7.737 314 HL22 4HJ 52 HL22 4HJ 52 31.519 -1.817 -9.657 315 HL21 4HJ 52 HL21 4HJ 52 32.242 -2.149 -8.043 316 HL23 4HJ 52 HL23 4HJ 52 30.841 -3.010 -8.600 317 HM 4HJ 52 HM 4HJ 52 34.781 -1.539 -10.499 318 HN 4HJ 52 HN 4HJ 52 35.492 -4.352 -7.596 319 HL3 4HJ 52 HL3 4HJ 52 34.552 -3.753 -10.737 320 HO2 4HJ 52 HO2 4HJ 52 34.973 -1.953 -6.201 321 HO3 4HJ 52 HO3 4HJ 52 33.400 -2.724 -6.567 322 HP2 4HJ 52 HP2 4HJ 52 34.093 -4.721 -5.349 323 HP3 4HJ 52 HP3 4HJ 52 35.699 -4.066 -5.195 324 HS2 4HJ 52 HS2 4HJ 52 32.083 -3.799 -1.897 325 HS3 4HJ 52 HS3 4HJ 52 31.945 -4.088 -3.655 326 HT3 4HJ 52 HT3 4HJ 52 31.147 -5.952 -2.456 327 HT2 4HJ 52 HT2 4HJ 52 32.754 -6.292 -1.828 328 HY2 4HJ 52 HY2 4HJ 52 32.289 -7.491 -6.412 329 HR 4HJ 52 HR 4HJ 52 34.540 -4.522 -2.400 330 H ILE 53 H ILE 53 29.047 -7.076 -12.281 331 HA ILE 53 HA ILE 53 27.871 -4.749 -12.947 332 HB ILE 53 HB ILE 53 29.048 -6.562 -14.320 333 HG12 ILE 53 HG12 ILE 53 28.437 -4.426 -15.253 334 HG13 ILE 53 HG11 ILE 53 28.348 -5.733 -16.430 335 HG21 ILE 53 HG21 ILE 53 27.577 -8.395 -14.084 336 HG22 ILE 53 HG22 ILE 53 27.676 -7.957 -15.790 337 HG23 ILE 53 HG23 ILE 53 26.259 -7.503 -14.844 338 HD11 ILE 53 HD11 ILE 53 26.515 -4.109 -16.732 339 HD12 ILE 53 HD12 ILE 53 26.004 -4.401 -15.065 340 HD13 ILE 53 HD13 ILE 53 25.892 -5.694 -16.255 341 H ARG 54 H ARG 54 26.148 -7.655 -12.117 342 HA ARG 54 HA ARG 54 23.448 -7.109 -12.813 343 HB2 ARG 54 HB2 ARG 54 24.715 -8.511 -10.457 344 HB3 ARG 54 HB3 ARG 54 22.986 -8.311 -10.576 345 HG2 ARG 54 HG2 ARG 54 23.816 -10.570 -11.224 346 HG3 ARG 54 HG3 ARG 54 22.880 -9.771 -12.472 347 HD2 ARG 54 HD2 ARG 54 24.702 -9.544 -13.855 348 HD3 ARG 54 HD3 ARG 54 25.835 -9.507 -12.506 349 HE ARG 54 HE ARG 54 26.171 -11.736 -12.863 350 HH11 ARG 54 HH11 ARG 54 22.768 -11.289 -13.991 351 HH12 ARG 54 HH12 ARG 54 22.634 -12.928 -14.358 352 HH21 ARG 54 HH21 ARG 54 25.942 -13.736 -13.358 353 HH22 ARG 54 HH22 ARG 54 24.509 -14.449 -14.005 354 H LEU 55 H LEU 55 25.381 -6.273 -9.949 355 HA LEU 55 HA LEU 55 23.395 -4.842 -8.519 356 HB2 LEU 55 HB2 LEU 55 26.411 -4.760 -8.393 357 HB3 LEU 55 HB3 LEU 55 25.412 -3.772 -7.367 358 HG LEU 55 HG LEU 55 26.236 -5.602 -6.108 359 HD11 LEU 55 HD11 LEU 55 24.040 -4.937 -5.550 360 HD12 LEU 55 HD12 LEU 55 24.264 -6.665 -5.295 361 HD13 LEU 55 HD13 LEU 55 23.357 -6.094 -6.701 362 HD21 LEU 55 HD21 LEU 55 25.756 -7.947 -6.613 363 HD22 LEU 55 HD22 LEU 55 26.787 -7.190 -7.811 364 HD23 LEU 55 HD23 LEU 55 25.075 -7.468 -8.173 365 H MET 56 H MET 56 25.951 -3.840 -10.717 366 HA MET 56 HA MET 56 25.729 -1.065 -10.491 367 HB2 MET 56 HB2 MET 56 26.599 -2.790 -12.800 368 HB3 MET 56 HB3 MET 56 26.623 -1.044 -12.893 369 HG2 MET 56 HG2 MET 56 28.835 -2.022 -12.406 370 HG3 MET 56 HG3 MET 56 28.289 -0.919 -11.155 371 HE1 MET 56 HE1 MET 56 26.919 -2.021 -8.909 372 HE2 MET 56 HE2 MET 56 28.590 -1.491 -8.677 373 HE3 MET 56 HE3 MET 56 28.050 -3.029 -8.015 374 H ARG 57 H ARG 57 23.937 -3.293 -12.472 375 HA ARG 57 HA ARG 57 22.491 -1.375 -13.947 376 HB2 ARG 57 HB2 ARG 57 22.180 -4.232 -13.402 377 HB3 ARG 57 HB3 ARG 57 20.870 -3.312 -14.154 378 HG2 ARG 57 HG2 ARG 57 22.470 -2.463 -15.814 379 HG3 ARG 57 HG3 ARG 57 23.699 -3.525 -15.115 380 HD2 ARG 57 HD2 ARG 57 21.094 -4.521 -15.794 381 HD3 ARG 57 HD3 ARG 57 22.241 -4.224 -17.121 382 HE ARG 57 HE ARG 57 23.703 -5.830 -16.153 383 HH11 ARG 57 HH11 ARG 57 20.596 -5.847 -14.374 384 HH12 ARG 57 HH12 ARG 57 20.704 -7.500 -13.984 385 HH21 ARG 57 HH21 ARG 57 23.747 -8.156 -15.605 386 HH22 ARG 57 HH22 ARG 57 22.414 -8.787 -14.723 387 H TRP 58 H TRP 58 21.975 -2.894 -10.873 388 HA TRP 58 HA TRP 58 19.289 -1.883 -10.478 389 HB2 TRP 58 HB2 TRP 58 21.226 -2.922 -8.421 390 HB3 TRP 58 HB3 TRP 58 19.480 -2.675 -8.233 391 HD1 TRP 58 HD1 TRP 58 21.540 -5.443 -8.564 392 HE1 TRP 58 HE1 TRP 58 20.535 -7.355 -10.019 393 HE3 TRP 58 HE3 TRP 58 17.731 -2.888 -10.876 394 HZ2 TRP 58 HZ2 TRP 58 18.465 -7.699 -11.854 395 HZ3 TRP 58 HZ3 TRP 58 16.312 -4.083 -12.447 396 HH2 TRP 58 HH2 TRP 58 16.661 -6.437 -12.926 397 H LEU 59 H LEU 59 22.380 -0.660 -9.556 398 HA LEU 59 HA LEU 59 21.550 1.574 -8.113 399 HB2 LEU 59 HB2 LEU 59 23.791 1.205 -10.053 400 HB3 LEU 59 HB3 LEU 59 23.465 2.789 -9.400 401 HG LEU 59 HG LEU 59 25.263 1.695 -8.252 402 HD11 LEU 59 HD11 LEU 59 22.828 1.901 -6.503 403 HD12 LEU 59 HD12 LEU 59 23.766 3.254 -7.106 404 HD13 LEU 59 HD13 LEU 59 24.520 2.097 -5.994 405 HD21 LEU 59 HD21 LEU 59 23.234 -0.364 -7.429 406 HD22 LEU 59 HD22 LEU 59 24.946 -0.316 -6.937 407 HD23 LEU 59 HD23 LEU 59 24.488 -0.587 -8.626 408 H HIS 60 H HIS 60 21.943 1.235 -11.518 409 HA HIS 60 HA HIS 60 21.133 3.829 -12.273 410 HB2 HIS 60 HB2 HIS 60 22.653 2.324 -13.446 411 HB3 HIS 60 HB3 HIS 60 21.334 1.244 -13.800 412 HD1 HIS 60 HD1 HIS 60 23.099 4.165 -15.188 413 HD2 HIS 60 HD2 HIS 60 19.359 2.412 -15.646 414 HE1 HIS 60 HE1 HIS 60 22.149 5.079 -17.333 415 H TRP 61 H TRP 61 19.468 0.874 -11.645 416 HA TRP 61 HA TRP 61 17.136 1.368 -13.169 417 HB2 TRP 61 HB2 TRP 61 18.102 -0.844 -12.428 418 HB3 TRP 61 HB3 TRP 61 17.458 -0.489 -10.836 419 HD1 TRP 61 HD1 TRP 61 16.308 -1.093 -14.407 420 HE1 TRP 61 HE1 TRP 61 13.874 -1.992 -14.335 421 HE3 TRP 61 HE3 TRP 61 15.474 -0.613 -9.447 422 HZ2 TRP 61 HZ2 TRP 61 11.906 -2.420 -12.397 423 HZ3 TRP 61 HZ3 TRP 61 13.296 -1.283 -8.539 424 HH2 TRP 61 HH2 TRP 61 11.560 -2.164 -9.988 425 H PHE 62 H PHE 62 17.702 1.426 -9.656 426 HA PHE 62 HA PHE 62 15.267 2.952 -9.295 427 HB2 PHE 62 HB2 PHE 62 16.631 3.347 -6.879 428 HB3 PHE 62 HB3 PHE 62 15.342 2.196 -7.181 429 HD1 PHE 62 HD1 PHE 62 18.888 2.711 -6.865 430 HD2 PHE 62 HD2 PHE 62 15.775 -0.073 -7.473 431 HE1 PHE 62 HE1 PHE 62 20.473 0.822 -6.418 432 HE2 PHE 62 HE2 PHE 62 17.275 -1.927 -7.066 433 HZ PHE 62 HZ PHE 62 19.624 -1.523 -6.599 434 H ARG 63 H ARG 63 18.450 3.721 -9.976 435 HA ARG 63 HA ARG 63 18.632 6.282 -9.126 436 HB2 ARG 63 HB2 ARG 63 20.404 5.037 -10.364 437 HB3 ARG 63 HB3 ARG 63 19.521 5.328 -11.852 438 HG2 ARG 63 HG2 ARG 63 21.363 6.860 -11.673 439 HG3 ARG 63 HG3 ARG 63 19.840 7.745 -11.534 440 HD2 ARG 63 HD2 ARG 63 20.064 7.770 -9.108 441 HD3 ARG 63 HD3 ARG 63 21.554 6.843 -9.224 442 HE ARG 63 HE ARG 63 21.779 9.132 -10.800 443 HH11 ARG 63 HH11 ARG 63 21.483 8.309 -7.395 444 HH12 ARG 63 HH12 ARG 63 22.513 9.534 -6.810 445 HH21 ARG 63 HH21 ARG 63 23.187 10.905 -10.048 446 HH22 ARG 63 HH22 ARG 63 23.507 11.092 -8.395 447 H LYS 64 H LYS 64 16.716 4.922 -11.744 448 HA LYS 64 HA LYS 64 15.712 6.949 -13.325 449 HB2 LYS 64 HB2 LYS 64 14.187 4.806 -11.923 450 HB3 LYS 64 HB3 LYS 64 13.535 5.856 -13.163 451 HG2 LYS 64 HG2 LYS 64 15.374 4.956 -14.654 452 HG3 LYS 64 HG3 LYS 64 15.612 3.724 -13.405 453 HD2 LYS 64 HD2 LYS 64 12.981 4.409 -14.461 454 HD3 LYS 64 HD3 LYS 64 13.980 3.272 -15.363 455 HE2 LYS 64 HE2 LYS 64 12.338 2.007 -13.951 456 HE3 LYS 64 HE3 LYS 64 13.964 1.723 -13.372 457 HZ1 LYS 64 HZ1 LYS 64 12.156 2.103 -11.646 458 HZ2 LYS 64 HZ2 LYS 64 12.175 3.736 -12.016 459 HZ3 LYS 64 HZ3 LYS 64 13.563 2.958 -11.454 460 H ASN 65 H ASN 65 15.077 6.225 -9.989 461 HA ASN 65 HA ASN 65 12.823 8.069 -9.827 462 HB2 ASN 65 HB2 ASN 65 13.793 6.185 -7.696 463 HB3 ASN 65 HB3 ASN 65 12.188 6.854 -7.908 464 HD21 ASN 65 HD21 ASN 65 13.043 4.105 -7.551 465 HD22 ASN 65 HD22 ASN 65 12.449 3.194 -8.889 466 H GLY 66 H GLY 66 16.015 8.338 -9.635 467 HA2 GLY 66 HA2 GLY 66 17.255 10.113 -8.820 468 HA3 GLY 66 HA3 GLY 66 15.898 10.564 -7.811 469 H TYR 67 H TYR 67 16.915 7.277 -7.475 470 HA TYR 67 HA TYR 67 17.688 7.884 -4.782 471 HB2 TYR 67 HB2 TYR 67 17.491 5.248 -6.209 472 HB3 TYR 67 HB3 TYR 67 18.038 5.412 -4.536 473 HD1 TYR 67 HD1 TYR 67 16.519 6.761 -2.955 474 HD2 TYR 67 HD2 TYR 67 15.207 5.050 -6.612 475 HE1 TYR 67 HE1 TYR 67 14.206 6.942 -2.181 476 HE2 TYR 67 HE2 TYR 67 12.857 5.211 -5.837 477 HH TYR 67 HH TYR 67 12.045 7.059 -3.042 478 H ARG 68 H ARG 68 19.493 7.511 -3.674 479 HA ARG 68 HA ARG 68 21.948 7.578 -5.267 480 HB2 ARG 68 HB2 ARG 68 21.386 8.815 -2.600 481 HB3 ARG 68 HB3 ARG 68 22.920 8.854 -3.457 482 HG2 ARG 68 HG2 ARG 68 22.179 10.857 -4.083 483 HG3 ARG 68 HG3 ARG 68 21.416 9.916 -5.330 484 HD2 ARG 68 HD2 ARG 68 19.789 11.502 -4.356 485 HD3 ARG 68 HD3 ARG 68 19.308 9.822 -4.124 486 HE ARG 68 HE ARG 68 20.223 10.062 -1.796 487 HH11 ARG 68 HH11 ARG 68 19.073 12.993 -3.483 488 HH12 ARG 68 HH12 ARG 68 18.846 13.809 -1.987 489 HH21 ARG 68 HH21 ARG 68 19.837 11.120 -0.017 490 HH22 ARG 68 HH22 ARG 68 19.375 12.767 0.084 491 H LEU 69 H LEU 69 23.256 5.778 -4.766 492 HA LEU 69 HA LEU 69 23.197 4.684 -2.092 493 HB2 LEU 69 HB2 LEU 69 22.786 2.818 -4.435 494 HB3 LEU 69 HB3 LEU 69 22.686 2.442 -2.735 495 HG LEU 69 HG LEU 69 20.570 3.993 -2.807 496 HD11 LEU 69 HD11 LEU 69 20.811 4.856 -4.999 497 HD12 LEU 69 HD12 LEU 69 19.358 3.850 -4.941 498 HD13 LEU 69 HD13 LEU 69 20.828 3.236 -5.698 499 HD21 LEU 69 HD21 LEU 69 19.148 2.126 -3.365 500 HD22 LEU 69 HD22 LEU 69 20.464 1.627 -2.296 501 HD23 LEU 69 HD23 LEU 69 20.517 1.233 -4.023 502 H THR 70 H THR 70 25.138 3.826 -1.586 503 HA THR 70 HA THR 70 27.179 4.186 -3.593 504 HB THR 70 HB THR 70 27.582 2.923 -0.904 505 HG1 THR 70 HG1 THR 70 26.445 4.737 -0.392 506 HG21 THR 70 HG21 THR 70 29.272 4.800 -2.566 507 HG22 THR 70 HG22 THR 70 29.487 3.055 -2.430 508 HG23 THR 70 HG23 THR 70 29.751 4.089 -1.024 509 H LEU 71 H LEU 71 28.310 2.498 -4.387 510 HA LEU 71 HA LEU 71 26.828 0.288 -5.202 511 HB2 LEU 71 HB2 LEU 71 29.842 0.486 -5.222 512 HB3 LEU 71 HB3 LEU 71 28.837 -0.649 -6.102 513 HG LEU 71 HG LEU 71 29.676 1.019 -7.631 514 HD11 LEU 71 HD11 LEU 71 27.511 0.163 -8.091 515 HD12 LEU 71 HD12 LEU 71 27.592 1.870 -8.555 516 HD13 LEU 71 HD13 LEU 71 26.789 1.389 -7.053 517 HD21 LEU 71 HD21 LEU 71 29.143 3.381 -7.479 518 HD22 LEU 71 HD22 LEU 71 30.020 2.881 -6.022 519 HD23 LEU 71 HD23 LEU 71 28.265 3.097 -5.981 520 H ARG 72 H ARG 72 29.110 0.647 -2.694 521 HA ARG 72 HA ARG 72 29.524 -2.132 -2.138 522 HB2 ARG 72 HB2 ARG 72 31.228 -0.398 -1.734 523 HB3 ARG 72 HB3 ARG 72 30.214 0.292 -0.482 524 HG2 ARG 72 HG2 ARG 72 30.495 -1.614 0.900 525 HG3 ARG 72 HG3 ARG 72 31.284 -2.512 -0.402 526 HD2 ARG 72 HD2 ARG 72 32.351 0.002 0.895 527 HD3 ARG 72 HD3 ARG 72 32.920 -1.635 1.227 528 HE ARG 72 HE ARG 72 33.269 -1.509 -1.408 529 HH11 ARG 72 HH11 ARG 72 34.203 0.840 1.067 530 HH12 ARG 72 HH12 ARG 72 35.535 1.442 0.200 531 HH21 ARG 72 HH21 ARG 72 35.060 -0.717 -2.605 532 HH22 ARG 72 HH22 ARG 72 36.049 0.521 -1.991 533 H GLU 73 H GLU 73 27.068 0.122 -1.176 534 HA GLU 73 HA GLU 73 26.337 -1.117 1.273 535 HB2 GLU 73 HB2 GLU 73 24.719 0.522 -0.691 536 HB3 GLU 73 HB3 GLU 73 24.165 0.055 0.908 537 HG2 GLU 73 HG2 GLU 73 25.927 1.365 1.927 538 HG3 GLU 73 HG3 GLU 73 26.563 1.762 0.330 539 H LEU 74 H LEU 74 25.456 -1.503 -2.076 540 HA LEU 74 HA LEU 74 23.382 -3.414 -1.553 541 HB2 LEU 74 HB2 LEU 74 24.678 -2.858 -4.226 542 HB3 LEU 74 HB3 LEU 74 23.130 -3.622 -3.941 543 HG LEU 74 HG LEU 74 22.709 -1.256 -2.742 544 HD11 LEU 74 HD11 LEU 74 24.662 -0.658 -4.947 545 HD12 LEU 74 HD12 LEU 74 24.818 -0.283 -3.245 546 HD13 LEU 74 HD13 LEU 74 23.586 0.521 -4.211 547 HD21 LEU 74 HD21 LEU 74 22.346 -1.810 -5.684 548 HD22 LEU 74 HD22 LEU 74 21.514 -0.573 -4.722 549 HD23 LEU 74 HD23 LEU 74 21.250 -2.275 -4.373 550 H TYR 75 H TYR 75 26.683 -3.585 -1.727 551 HA TYR 75 HA TYR 75 26.787 -6.436 -2.444 552 HB2 TYR 75 HB2 TYR 75 28.837 -4.347 -1.872 553 HB3 TYR 75 HB3 TYR 75 29.268 -6.043 -1.832 554 HD1 TYR 75 HD2 TYR 75 28.464 -7.368 -3.925 555 HD2 TYR 75 HD1 TYR 75 29.096 -3.210 -3.808 556 HE1 TYR 75 HE2 TYR 75 28.779 -7.362 -6.401 557 HE2 TYR 75 HE1 TYR 75 29.409 -3.154 -6.243 558 HH TYR 75 HH TYR 75 28.551 -5.708 -8.213 559 H ALA 76 H ALA 76 26.964 -4.318 0.315 560 HA ALA 76 HA ALA 76 27.973 -6.344 1.986 561 HB1 ALA 76 HB1 ALA 76 28.410 -3.996 2.494 562 HB2 ALA 76 HB2 ALA 76 27.567 -4.761 3.842 563 HB3 ALA 76 HB3 ALA 76 26.686 -3.712 2.732 564 H ALA 77 H ALA 77 24.852 -5.095 1.122 565 HA ALA 77 HA ALA 77 23.645 -7.427 2.361 566 HB1 ALA 77 HB1 ALA 77 23.232 -5.560 3.911 567 HB2 ALA 77 HB2 ALA 77 21.734 -6.112 3.160 568 HB3 ALA 77 HB3 ALA 77 22.510 -4.633 2.596 569 HA PRO 78 HA PRO 78 22.111 -6.874 -1.877 570 HB2 PRO 78 HB2 PRO 78 23.007 -9.350 -2.763 571 HB3 PRO 78 HB3 PRO 78 23.902 -7.828 -2.940 572 HG2 PRO 78 HG2 PRO 78 24.640 -10.050 -1.353 573 HG3 PRO 78 HG3 PRO 78 25.435 -8.470 -1.446 574 HD2 PRO 78 HD2 PRO 78 23.554 -9.493 0.596 575 HD3 PRO 78 HD3 PRO 78 24.823 -8.255 0.730 576 H THR 79 H THR 79 20.037 -7.096 -0.815 577 HA THR 79 HA THR 79 18.631 -9.490 -1.578 578 HB THR 79 HB THR 79 17.451 -9.570 0.670 579 HG1 THR 79 HG1 THR 79 19.209 -8.812 2.323 580 HG21 THR 79 HG21 THR 79 19.071 -11.307 0.099 581 HG22 THR 79 HG22 THR 79 19.141 -10.931 1.821 582 HG23 THR 79 HG23 THR 79 20.377 -10.305 0.728 583 H LEU 80 H LEU 80 16.295 -8.973 -1.706 584 HA LEU 80 HA LEU 80 15.921 -6.177 -2.188 585 HB2 LEU 80 HB2 LEU 80 14.010 -8.481 -2.288 586 HB3 LEU 80 HB3 LEU 80 13.613 -6.836 -2.754 587 HG LEU 80 HG LEU 80 15.730 -8.517 -3.931 588 HD11 LEU 80 HD11 LEU 80 13.462 -9.299 -4.517 589 HD12 LEU 80 HD12 LEU 80 14.195 -8.527 -5.938 590 HD13 LEU 80 HD13 LEU 80 13.021 -7.648 -4.957 591 HD21 LEU 80 HD21 LEU 80 15.814 -6.772 -5.681 592 HD22 LEU 80 HD22 LEU 80 16.308 -6.185 -4.104 593 HD23 LEU 80 HD23 LEU 80 14.696 -5.802 -4.733 594 H ALA 81 H ALA 81 15.217 -8.434 0.159 595 HA ALA 81 HA ALA 81 13.566 -7.125 1.951 596 HB1 ALA 81 HB1 ALA 81 14.755 -8.286 3.782 597 HB2 ALA 81 HB2 ALA 81 16.090 -8.649 2.697 598 HB3 ALA 81 HB3 ALA 81 14.507 -9.357 2.409 599 H ALA 82 H ALA 82 17.097 -6.670 1.659 600 HA ALA 82 HA ALA 82 17.085 -4.422 3.479 601 HB1 ALA 82 HB1 ALA 82 19.298 -5.439 1.702 602 HB2 ALA 82 HB2 ALA 82 19.006 -5.960 3.361 603 HB3 ALA 82 HB3 ALA 82 19.465 -4.289 3.027 604 H TRP 83 H TRP 83 17.305 -4.865 -0.031 605 HA TRP 83 HA TRP 83 17.863 -2.148 -0.559 606 HB2 TRP 83 HB2 TRP 83 16.592 -4.159 -2.423 607 HB3 TRP 83 HB3 TRP 83 17.204 -2.586 -2.900 608 HD1 TRP 83 HD1 TRP 83 19.690 -3.764 -0.542 609 HE1 TRP 83 HE1 TRP 83 21.614 -4.971 -1.675 610 HE3 TRP 83 HE3 TRP 83 17.569 -4.410 -5.115 611 HZ2 TRP 83 HZ2 TRP 83 22.178 -6.073 -4.240 612 HZ3 TRP 83 HZ3 TRP 83 18.863 -5.556 -6.873 613 HH2 TRP 83 HH2 TRP 83 21.121 -6.363 -6.440 614 H ASN 84 H ASN 84 14.929 -3.803 0.068 615 HA ASN 84 HA ASN 84 13.061 -1.944 -0.882 616 HB2 ASN 84 HB2 ASN 84 12.448 -4.171 0.012 617 HB3 ASN 84 HB3 ASN 84 12.935 -3.658 1.620 618 HD21 ASN 84 HD21 ASN 84 11.515 -2.371 2.848 619 HD22 ASN 84 HD22 ASN 84 9.926 -2.053 2.283 620 H GLN 85 H GLN 85 14.930 -2.068 2.075 621 HA GLN 85 HA GLN 85 13.667 0.204 3.218 622 HB2 GLN 85 HB2 GLN 85 16.322 -1.095 3.879 623 HB3 GLN 85 HB3 GLN 85 15.515 0.110 4.884 624 HG2 GLN 85 HG2 GLN 85 14.584 -2.683 4.242 625 HG3 GLN 85 HG3 GLN 85 15.154 -2.081 5.796 626 HE21 GLN 85 HE21 GLN 85 13.793 -0.738 7.009 627 HE22 GLN 85 HE22 GLN 85 12.099 -0.638 6.674 628 H LEU 86 H LEU 86 16.557 -0.388 1.321 629 HA LEU 86 HA LEU 86 17.717 2.163 1.343 630 HB2 LEU 86 HB2 LEU 86 17.745 0.027 -0.772 631 HB3 LEU 86 HB3 LEU 86 18.694 1.492 -0.873 632 HG LEU 86 HG LEU 86 18.973 -0.540 1.348 633 HD11 LEU 86 HD11 LEU 86 20.693 -0.026 -1.066 634 HD12 LEU 86 HD12 LEU 86 19.630 -1.418 -0.889 635 HD13 LEU 86 HD13 LEU 86 21.013 -1.212 0.199 636 HD21 LEU 86 HD21 LEU 86 21.045 0.638 1.798 637 HD22 LEU 86 HD22 LEU 86 19.677 1.756 1.921 638 HD23 LEU 86 HD23 LEU 86 20.704 1.744 0.475 639 H MET 87 H MET 87 15.245 0.740 -0.681 640 HA MET 87 HA MET 87 14.996 3.025 -2.390 641 HB2 MET 87 HB2 MET 87 13.365 0.508 -2.142 642 HB3 MET 87 HB3 MET 87 13.060 1.762 -3.337 643 HG2 MET 87 HG2 MET 87 15.205 1.395 -4.351 644 HG3 MET 87 HG3 MET 87 15.660 0.273 -3.073 645 HE1 MET 87 HE1 MET 87 13.190 0.944 -6.021 646 HE2 MET 87 HE2 MET 87 12.051 0.381 -4.765 647 HE3 MET 87 HE3 MET 87 12.391 -0.619 -6.177 648 H LEU 88 H LEU 88 13.058 1.593 0.206 649 HA LEU 88 HA LEU 88 10.883 3.358 -0.028 650 HB2 LEU 88 HB2 LEU 88 11.782 1.353 1.861 651 HB3 LEU 88 HB3 LEU 88 10.822 2.636 2.556 652 HG LEU 88 HG LEU 88 9.987 0.793 0.329 653 HD11 LEU 88 HD11 LEU 88 8.447 -0.036 2.024 654 HD12 LEU 88 HD12 LEU 88 9.090 1.163 3.164 655 HD13 LEU 88 HD13 LEU 88 10.126 -0.143 2.596 656 HD21 LEU 88 HD21 LEU 88 7.764 1.971 0.772 657 HD22 LEU 88 HD22 LEU 88 8.999 2.856 -0.106 658 HD23 LEU 88 HD23 LEU 88 8.751 3.207 1.603 659 H SER 89 H SER 89 13.532 3.300 2.304 660 HA SER 89 HA SER 89 12.461 5.827 3.200 661 HB2 SER 89 HB2 SER 89 14.156 3.860 4.722 662 HB3 SER 89 HB3 SER 89 13.400 5.320 5.371 663 HG SER 89 HG SER 89 11.453 4.148 4.262 664 H ARG 90 H ARG 90 15.448 4.227 1.918 665 HA ARG 90 HA ARG 90 17.395 4.509 1.858 666 HB2 ARG 90 HB2 ARG 90 16.665 5.811 0.117 667 HB3 ARG 90 HB3 ARG 90 16.293 7.163 1.174 668 HG2 ARG 90 HG2 ARG 90 18.064 7.514 -0.071 669 HG3 ARG 90 HG3 ARG 90 18.491 7.387 1.695 670 HD2 ARG 90 HD2 ARG 90 19.277 5.031 1.160 671 HD3 ARG 90 HD3 ARG 90 19.127 5.424 -0.554 672 HE ARG 90 HE ARG 90 20.764 7.344 0.283 673 HH11 ARG 90 HH11 ARG 90 20.871 3.858 0.914 674 HH12 ARG 90 HH12 ARG 90 22.565 3.791 1.074 675 HH21 ARG 90 HH21 ARG 90 23.031 7.267 0.531 676 HH22 ARG 90 HH22 ARG 90 23.835 5.755 0.800 677 H SER 91 H SER 91 16.099 6.728 4.060 678 HA SER 91 HA SER 91 16.713 7.575 6.024 679 HB2 SER 91 HB2 SER 91 19.553 6.532 5.598 680 HB3 SER 91 HB3 SER 91 18.887 7.168 7.104 681 HG SER 91 HG SER 91 18.503 4.761 5.823 682 HA PRO 92 HA PRO 92 17.032 11.032 3.144 683 HB2 PRO 92 HB2 PRO 92 16.621 12.032 5.940 684 HB3 PRO 92 HB3 PRO 92 16.035 12.745 4.411 685 HG2 PRO 92 HG2 PRO 92 14.379 11.218 5.651 686 HG3 PRO 92 HG3 PRO 92 14.699 10.956 3.910 687 HD2 PRO 92 HD2 PRO 92 15.587 9.303 6.215 688 HD3 PRO 92 HD3 PRO 92 15.152 8.791 4.570 689 H GLU 93 H GLU 93 18.650 11.808 2.374 690 HA GLU 93 HA GLU 93 21.036 12.598 3.914 691 HB2 GLU 93 HB2 GLU 93 20.970 11.960 0.955 692 HB3 GLU 93 HB3 GLU 93 22.348 11.993 2.026 693 HG2 GLU 93 HG2 GLU 93 21.963 9.864 2.828 694 HG3 GLU 93 HG3 GLU 93 20.243 9.918 2.443
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