NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
640398 | 6k5r | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 16 HN ASP 16 10.338 15.168 -0.574 2 HA ASP 16 HA ASP 16 10.351 14.544 2.195 3 HB2 ASP 16 HB2 ASP 16 9.369 17.014 1.866 4 HB3 ASP 16 HB1 ASP 16 7.901 16.100 1.541 5 H HIS 17 HN HIS 17 7.778 13.825 2.641 6 HA HIS 17 HA HIS 17 7.333 11.817 0.541 7 HB2 HIS 17 HB2 HIS 17 6.428 11.944 3.423 8 HB3 HIS 17 HB1 HIS 17 5.888 10.713 2.291 9 HD2 HIS 17 HD2 HIS 17 7.660 8.665 1.802 10 HE1 HIS 17 HE1 HIS 17 10.616 10.049 4.501 11 HE2 HIS 17 HE2 HIS 17 9.880 8.102 3.042 12 H ILE 18 HN ILE 18 5.210 11.405 -0.218 13 HA ILE 18 HA ILE 18 3.439 13.739 0.003 14 HB ILE 18 HB ILE 18 4.178 13.305 -2.285 15 HG12 ILE 18 HG12 ILE 18 1.288 12.453 -1.998 16 HG13 ILE 18 HG11 ILE 18 1.847 14.117 -1.846 17 HG21 ILE 18 HG21 ILE 18 3.533 11.242 -3.464 18 HG22 ILE 18 HG22 ILE 18 2.976 10.565 -1.935 19 HG23 ILE 18 HG23 ILE 18 4.682 10.954 -2.158 20 HD11 ILE 18 HD11 ILE 18 2.658 14.062 -4.139 21 HD12 ILE 18 HD12 ILE 18 0.937 13.680 -4.057 22 HD13 ILE 18 HD13 ILE 18 2.118 12.391 -4.298 23 H ASN 19 HN ASN 19 1.596 13.494 1.099 24 HA ASN 19 HA ASN 19 0.933 10.816 2.050 25 HB2 ASN 19 HB2 ASN 19 0.156 13.584 2.911 26 HB3 ASN 19 HB1 ASN 19 -0.798 12.196 3.425 27 HD21 ASN 19 HD21 ASN 19 2.211 13.875 3.717 28 HD22 ASN 19 HD22 ASN 19 2.823 12.968 5.057 29 H LEU 20 HN LEU 20 -0.266 9.676 0.740 30 HA LEU 20 HA LEU 20 -2.431 10.954 -0.765 31 HB2 LEU 20 HB2 LEU 20 -1.365 8.132 -0.972 32 HB3 LEU 20 HB1 LEU 20 -2.509 8.897 -2.060 33 HG LEU 20 HG LEU 20 0.354 9.786 -1.693 34 HD11 LEU 20 HD11 LEU 20 0.776 8.775 -3.854 35 HD12 LEU 20 HD12 LEU 20 -0.894 8.214 -3.942 36 HD13 LEU 20 HD13 LEU 20 0.195 7.556 -2.717 37 HD21 LEU 20 HD21 LEU 20 -1.797 10.608 -3.637 38 HD22 LEU 20 HD22 LEU 20 -0.099 11.064 -3.771 39 HD23 LEU 20 HD23 LEU 20 -1.052 11.605 -2.390 40 H LYS 21 HN LYS 21 -4.532 9.745 -0.843 41 HA LYS 21 HA LYS 21 -5.043 8.399 1.725 42 HB2 LYS 21 HB2 LYS 21 -6.626 10.632 0.467 43 HB3 LYS 21 HB1 LYS 21 -7.308 9.569 1.688 44 HG2 LYS 21 HG2 LYS 21 -5.638 10.274 3.291 45 HG3 LYS 21 HG1 LYS 21 -4.857 11.274 2.065 46 HD2 LYS 21 HD2 LYS 21 -6.805 12.692 1.910 47 HD3 LYS 21 HD1 LYS 21 -7.698 11.642 3.010 48 HE2 LYS 21 HE2 LYS 21 -6.114 12.170 4.802 49 HE3 LYS 21 HE1 LYS 21 -5.216 13.211 3.701 50 HZ1 LYS 21 HZ1 LYS 21 -8.066 13.633 4.404 51 HZ2 LYS 21 HZ2 LYS 21 -7.054 14.696 3.553 52 HZ3 LYS 21 HZ3 LYS 21 -6.780 14.393 5.198 53 H VAL 22 HN VAL 22 -6.415 6.716 1.707 54 HA VAL 22 HA VAL 22 -7.563 5.922 -0.894 55 HB VAL 22 HB VAL 22 -6.745 4.139 1.416 56 HG11 VAL 22 HG11 VAL 22 -8.653 3.261 0.179 57 HG12 VAL 22 HG12 VAL 22 -7.213 2.285 -0.098 58 HG13 VAL 22 HG13 VAL 22 -7.759 3.424 -1.331 59 HG21 VAL 22 HG21 VAL 22 -4.815 5.079 0.234 60 HG22 VAL 22 HG22 VAL 22 -5.465 4.482 -1.293 61 HG23 VAL 22 HG23 VAL 22 -4.963 3.343 -0.042 62 H ALA 23 HN ALA 23 -9.725 5.831 -0.985 63 HA ALA 23 HA ALA 23 -11.210 6.039 1.539 64 HB1 ALA 23 HB1 ALA 23 -12.128 6.682 -1.258 65 HB2 ALA 23 HB2 ALA 23 -11.539 7.855 -0.081 66 HB3 ALA 23 HB3 ALA 23 -13.028 6.963 0.231 67 H GLY 24 HN GLY 24 -11.837 4.110 2.254 68 HA2 GLY 24 HA2 GLY 24 -12.297 1.879 0.519 69 HA3 GLY 24 HA1 GLY 24 -12.607 1.934 2.250 70 H GLN 25 HN GLN 25 -14.305 0.700 0.342 71 HA GLN 25 HA GLN 25 -16.501 2.444 -0.246 72 HB2 GLN 25 HB2 GLN 25 -16.155 -0.545 -0.401 73 HB3 GLN 25 HB1 GLN 25 -17.675 0.247 -0.797 74 HG2 GLN 25 HG2 GLN 25 -15.031 0.782 -2.135 75 HG3 GLN 25 HG1 GLN 25 -16.318 -0.235 -2.779 76 HE21 GLN 25 HE21 GLN 25 -15.039 2.300 -3.734 77 HE22 GLN 25 HE22 GLN 25 -16.359 3.381 -4.016 78 H ASP 26 HN ASP 26 -15.467 1.129 2.594 79 HA ASP 26 HA ASP 26 -18.166 0.827 3.705 80 HB2 ASP 26 HB2 ASP 26 -17.202 -0.334 5.519 81 HB3 ASP 26 HB1 ASP 26 -16.285 -0.882 4.121 82 H GLY 27 HN GLY 27 -15.321 2.827 3.785 83 HA2 GLY 27 HA2 GLY 27 -15.987 5.219 4.325 84 HA3 GLY 27 HA1 GLY 27 -16.580 4.533 5.830 85 H SER 28 HN SER 28 -14.097 2.634 5.517 86 HA SER 28 HA SER 28 -12.480 3.982 7.385 87 HB2 SER 28 HB2 SER 28 -10.795 2.185 6.881 88 HB3 SER 28 HB1 SER 28 -12.396 1.588 7.304 89 HG SER 28 HG SER 28 -12.803 1.219 5.111 90 H VAL 29 HN VAL 29 -10.702 5.212 7.220 91 HA VAL 29 HA VAL 29 -9.907 6.042 4.518 92 HB VAL 29 HB VAL 29 -10.829 7.888 5.770 93 HG11 VAL 29 HG11 VAL 29 -10.502 7.034 8.031 94 HG12 VAL 29 HG12 VAL 29 -9.877 8.674 7.874 95 HG13 VAL 29 HG13 VAL 29 -8.765 7.303 7.889 96 HG21 VAL 29 HG21 VAL 29 -8.944 9.455 5.734 97 HG22 VAL 29 HG22 VAL 29 -8.951 8.407 4.314 98 HG23 VAL 29 HG23 VAL 29 -7.823 8.097 5.635 99 H VAL 30 HN VAL 30 -7.914 5.580 3.854 100 HA VAL 30 HA VAL 30 -5.925 4.812 5.892 101 HB VAL 30 HB VAL 30 -5.912 3.758 3.071 102 HG11 VAL 30 HG11 VAL 30 -3.796 3.561 4.188 103 HG12 VAL 30 HG12 VAL 30 -4.538 1.964 4.104 104 HG13 VAL 30 HG13 VAL 30 -4.570 2.871 5.616 105 HG21 VAL 30 HG21 VAL 30 -6.916 1.686 3.914 106 HG22 VAL 30 HG22 VAL 30 -8.012 3.059 4.070 107 HG23 VAL 30 HG23 VAL 30 -7.155 2.451 5.486 108 H GLN 31 HN GLN 31 -4.225 6.090 5.984 109 HA GLN 31 HA GLN 31 -3.717 7.924 3.754 110 HB2 GLN 31 HB2 GLN 31 -4.037 8.873 6.032 111 HB3 GLN 31 HB1 GLN 31 -2.621 7.985 6.574 112 HG2 GLN 31 HG2 GLN 31 -1.161 9.343 5.441 113 HG3 GLN 31 HG1 GLN 31 -2.368 9.844 4.259 114 HE21 GLN 31 HE21 GLN 31 -0.547 11.435 5.919 115 HE22 GLN 31 HE22 GLN 31 -1.564 12.523 6.805 116 H PHE 32 HN PHE 32 -2.115 7.531 2.415 117 HA PHE 32 HA PHE 32 -0.095 5.531 3.171 118 HB2 PHE 32 HB2 PHE 32 -1.475 6.225 0.670 119 HB3 PHE 32 HB1 PHE 32 0.254 5.943 0.490 120 HD1 PHE 32 HD1 PHE 32 -2.956 4.439 1.451 121 HD2 PHE 32 HD2 PHE 32 1.189 3.765 0.754 122 HE1 PHE 32 HE1 PHE 32 -3.358 2.010 1.424 123 HE2 PHE 32 HE2 PHE 32 0.794 1.336 0.728 124 HZ PHE 32 HZ PHE 32 -1.484 0.457 1.058 125 H LYS 33 HN LYS 33 1.784 6.299 3.790 126 HA LYS 33 HA LYS 33 2.691 8.913 2.833 127 HB2 LYS 33 HB2 LYS 33 2.834 8.720 5.216 128 HB3 LYS 33 HB1 LYS 33 3.603 7.144 5.107 129 HG2 LYS 33 HG2 LYS 33 5.553 8.267 4.017 130 HG3 LYS 33 HG1 LYS 33 4.787 9.814 4.386 131 HD2 LYS 33 HD2 LYS 33 5.149 9.599 6.647 132 HD3 LYS 33 HD1 LYS 33 5.174 7.833 6.582 133 HE2 LYS 33 HE2 LYS 33 7.346 7.987 5.356 134 HE3 LYS 33 HE1 LYS 33 7.326 9.726 5.647 135 HZ1 LYS 33 HZ1 LYS 33 7.220 7.707 7.817 136 HZ2 LYS 33 HZ2 LYS 33 7.478 9.372 7.974 137 HZ3 LYS 33 HZ3 LYS 33 8.657 8.395 7.252 138 H ILE 34 HN ILE 34 3.504 8.575 0.837 139 HA ILE 34 HA ILE 34 5.798 6.759 0.652 140 HB ILE 34 HB ILE 34 5.001 5.541 -1.077 141 HG12 ILE 34 HG12 ILE 34 3.542 7.987 -2.108 142 HG13 ILE 34 HG11 ILE 34 5.083 7.363 -2.686 143 HG21 ILE 34 HG21 ILE 34 3.183 5.441 0.605 144 HG22 ILE 34 HG22 ILE 34 2.629 5.128 -1.040 145 HG23 ILE 34 HG23 ILE 34 2.329 6.699 -0.294 146 HD11 ILE 34 HD11 ILE 34 2.439 5.947 -2.887 147 HD12 ILE 34 HD12 ILE 34 3.985 5.353 -3.490 148 HD13 ILE 34 HD13 ILE 34 3.261 6.798 -4.194 149 H LYS 35 HN LYS 35 7.029 7.288 -1.524 150 HA LYS 35 HA LYS 35 7.222 10.213 -1.621 151 HB2 LYS 35 HB2 LYS 35 9.175 8.019 -2.253 152 HB3 LYS 35 HB1 LYS 35 9.431 9.663 -2.823 153 HG2 LYS 35 HG2 LYS 35 9.402 10.482 -0.535 154 HG3 LYS 35 HG1 LYS 35 9.103 8.844 0.052 155 HD2 LYS 35 HD2 LYS 35 11.248 8.133 -0.949 156 HD3 LYS 35 HD1 LYS 35 11.550 9.803 -1.427 157 HE2 LYS 35 HE2 LYS 35 11.903 10.509 0.726 158 HE3 LYS 35 HE1 LYS 35 10.919 9.224 1.425 159 HZ1 LYS 35 HZ1 LYS 35 12.639 7.649 0.994 160 HZ2 LYS 35 HZ2 LYS 35 13.320 8.955 1.824 161 HZ3 LYS 35 HZ3 LYS 35 13.567 8.795 0.161 162 H ARG 36 HN ARG 36 7.691 11.205 -3.740 163 HA ARG 36 HA ARG 36 5.744 10.451 -5.634 164 HB2 ARG 36 HB2 ARG 36 7.700 12.600 -5.327 165 HB3 ARG 36 HB1 ARG 36 7.402 12.159 -7.002 166 HG2 ARG 36 HG2 ARG 36 4.965 12.423 -6.574 167 HG3 ARG 36 HG1 ARG 36 5.367 13.026 -4.966 168 HD2 ARG 36 HD2 ARG 36 6.508 14.903 -5.864 169 HD3 ARG 36 HD1 ARG 36 6.441 14.244 -7.496 170 HE ARG 36 HE ARG 36 4.128 14.759 -7.580 171 HH11 ARG 36 HH11 ARG 36 5.720 15.958 -4.691 172 HH12 ARG 36 HH12 ARG 36 4.465 17.099 -4.331 173 HH21 ARG 36 HH21 ARG 36 2.458 16.221 -7.058 174 HH22 ARG 36 HH22 ARG 36 2.617 17.257 -5.667 175 H HIS 37 HN HIS 37 9.109 9.623 -5.321 176 HA HIS 37 HA HIS 37 9.259 8.602 -8.039 177 HB2 HIS 37 HB2 HIS 37 11.532 8.352 -7.713 178 HB3 HIS 37 HB1 HIS 37 11.193 9.648 -6.576 179 HD2 HIS 37 HD2 HIS 37 11.269 8.885 -3.836 180 HE1 HIS 37 HE1 HIS 37 13.203 5.200 -4.633 181 HE2 HIS 37 HE2 HIS 37 12.538 6.853 -2.829 182 H THR 38 HN THR 38 8.098 7.575 -5.107 183 HA THR 38 HA THR 38 8.785 4.804 -5.220 184 HB THR 38 HB THR 38 6.723 6.295 -3.593 185 HG1 THR 38 HG1 THR 38 9.414 5.976 -3.416 186 HG21 THR 38 HG21 THR 38 6.196 3.880 -3.832 187 HG22 THR 38 HG22 THR 38 6.583 4.353 -2.181 188 HG23 THR 38 HG23 THR 38 7.776 3.501 -3.156 189 HA PRO 39 HA PRO 39 5.742 3.707 -8.328 190 HB2 PRO 39 HB2 PRO 39 6.232 1.000 -7.222 191 HB3 PRO 39 HB1 PRO 39 6.364 1.578 -8.888 192 HG2 PRO 39 HG2 PRO 39 8.543 1.052 -7.453 193 HG3 PRO 39 HG1 PRO 39 8.487 2.409 -8.593 194 HD2 PRO 39 HD2 PRO 39 8.302 2.440 -5.620 195 HD3 PRO 39 HD1 PRO 39 9.091 3.588 -6.718 196 H LEU 40 HN LEU 40 3.577 3.353 -8.273 197 HA LEU 40 HA LEU 40 2.283 3.241 -5.713 198 HB2 LEU 40 HB2 LEU 40 1.186 3.229 -8.526 199 HB3 LEU 40 HB1 LEU 40 0.193 3.299 -7.083 200 HG LEU 40 HG LEU 40 2.295 5.375 -7.605 201 HD11 LEU 40 HD11 LEU 40 0.934 5.322 -9.603 202 HD12 LEU 40 HD12 LEU 40 0.540 6.748 -8.644 203 HD13 LEU 40 HD13 LEU 40 -0.539 5.354 -8.630 204 HD21 LEU 40 HD21 LEU 40 -0.292 5.362 -6.060 205 HD22 LEU 40 HD22 LEU 40 0.793 6.741 -6.226 206 HD23 LEU 40 HD23 LEU 40 1.332 5.292 -5.377 207 H SER 41 HN SER 41 3.557 0.912 -7.708 208 HA SER 41 HA SER 41 1.642 -1.131 -7.648 209 HB2 SER 41 HB2 SER 41 3.958 -2.525 -7.668 210 HB3 SER 41 HB1 SER 41 3.304 -1.718 -9.094 211 HG SER 41 HG SER 41 5.166 -0.741 -9.075 212 H LYS 42 HN LYS 42 4.214 -0.262 -5.364 213 HA LYS 42 HA LYS 42 3.708 -2.453 -3.625 214 HB2 LYS 42 HB2 LYS 42 4.808 -0.388 -2.062 215 HB3 LYS 42 HB1 LYS 42 5.640 -1.770 -2.749 216 HG2 LYS 42 HG2 LYS 42 6.318 -0.535 -4.647 217 HG3 LYS 42 HG1 LYS 42 5.235 0.799 -4.255 218 HD2 LYS 42 HD2 LYS 42 7.496 1.412 -3.676 219 HD3 LYS 42 HD1 LYS 42 6.553 1.217 -2.196 220 HE2 LYS 42 HE2 LYS 42 8.622 0.164 -1.773 221 HE3 LYS 42 HE1 LYS 42 7.487 -1.148 -2.090 222 HZ1 LYS 42 HZ1 LYS 42 9.406 -0.016 -4.068 223 HZ2 LYS 42 HZ2 LYS 42 8.342 -1.311 -4.337 224 HZ3 LYS 42 HZ3 LYS 42 9.605 -1.473 -3.226 225 H LEU 43 HN LEU 43 2.290 0.681 -4.044 226 HA LEU 43 HA LEU 43 1.031 0.929 -1.519 227 HB2 LEU 43 HB2 LEU 43 1.347 2.744 -3.265 228 HB3 LEU 43 HB1 LEU 43 0.029 2.011 -4.153 229 HG LEU 43 HG LEU 43 -0.449 2.830 -1.321 230 HD11 LEU 43 HD11 LEU 43 0.576 4.808 -2.105 231 HD12 LEU 43 HD12 LEU 43 -1.160 5.078 -2.248 232 HD13 LEU 43 HD13 LEU 43 -0.207 4.680 -3.676 233 HD21 LEU 43 HD21 LEU 43 -2.174 2.931 -3.793 234 HD22 LEU 43 HD22 LEU 43 -2.690 3.228 -2.134 235 HD23 LEU 43 HD23 LEU 43 -2.164 1.615 -2.622 236 H MET 44 HN MET 44 -0.045 -0.355 -4.631 237 HA MET 44 HA MET 44 -2.636 -1.095 -3.828 238 HB2 MET 44 HB2 MET 44 -0.878 -2.281 -5.981 239 HB3 MET 44 HB1 MET 44 -2.599 -2.594 -5.804 240 HG2 MET 44 HG2 MET 44 -2.963 -0.122 -6.058 241 HG3 MET 44 HG1 MET 44 -1.261 0.002 -6.496 242 HE1 MET 44 HE1 MET 44 -1.075 -2.039 -9.808 243 HE2 MET 44 HE2 MET 44 -0.781 -2.666 -8.189 244 HE3 MET 44 HE3 MET 44 -0.196 -1.064 -8.633 245 H LYS 45 HN LYS 45 0.413 -2.891 -3.880 246 HA LYS 45 HA LYS 45 -0.696 -5.349 -3.005 247 HB2 LYS 45 HB2 LYS 45 2.148 -4.360 -2.735 248 HB3 LYS 45 HB1 LYS 45 1.618 -6.027 -2.564 249 HG2 LYS 45 HG2 LYS 45 0.842 -5.943 -4.935 250 HG3 LYS 45 HG1 LYS 45 1.587 -4.348 -5.063 251 HD2 LYS 45 HD2 LYS 45 3.668 -5.681 -4.079 252 HD3 LYS 45 HD1 LYS 45 2.841 -7.032 -4.850 253 HE2 LYS 45 HE2 LYS 45 2.771 -5.704 -6.953 254 HE3 LYS 45 HE1 LYS 45 3.752 -4.479 -6.157 255 HZ1 LYS 45 HZ1 LYS 45 4.550 -7.299 -6.621 256 HZ2 LYS 45 HZ2 LYS 45 5.492 -6.129 -5.840 257 HZ3 LYS 45 HZ3 LYS 45 5.113 -5.953 -7.480 258 H ALA 46 HN ALA 46 0.951 -2.713 -1.252 259 HA ALA 46 HA ALA 46 1.054 -3.870 1.268 260 HB1 ALA 46 HB1 ALA 46 2.138 -1.739 0.613 261 HB2 ALA 46 HB2 ALA 46 1.288 -1.652 2.154 262 HB3 ALA 46 HB3 ALA 46 0.564 -0.951 0.709 263 H TYR 47 HN TYR 47 -1.556 -1.907 -0.146 264 HA TYR 47 HA TYR 47 -3.215 -2.078 2.158 265 HB2 TYR 47 HB2 TYR 47 -3.522 -0.281 0.550 266 HB3 TYR 47 HB1 TYR 47 -3.905 -1.438 -0.719 267 HD1 TYR 47 HD1 TYR 47 -6.131 -1.666 -1.250 268 HD2 TYR 47 HD2 TYR 47 -5.091 -0.597 2.737 269 HE1 TYR 47 HE1 TYR 47 -8.517 -1.522 -0.673 270 HE2 TYR 47 HE2 TYR 47 -7.475 -0.448 3.321 271 HH TYR 47 HH TYR 47 -9.974 -1.504 1.129 272 H CYS 48 HN CYS 48 -2.960 -3.940 -0.826 273 HA CYS 48 HA CYS 48 -5.247 -5.538 -0.486 274 HB2 CYS 48 HB2 CYS 48 -3.632 -5.238 -2.527 275 HB3 CYS 48 HB1 CYS 48 -2.778 -6.599 -1.808 276 HG CYS 48 HG CYS 48 -4.619 -8.466 -2.238 277 H GLU 49 HN GLU 49 -1.913 -5.924 0.639 278 HA GLU 49 HA GLU 49 -2.144 -8.536 1.644 279 HB2 GLU 49 HB2 GLU 49 -0.382 -6.226 2.467 280 HB3 GLU 49 HB1 GLU 49 -0.231 -7.834 3.160 281 HG2 GLU 49 HG2 GLU 49 0.192 -7.040 0.290 282 HG3 GLU 49 HG1 GLU 49 1.409 -7.582 1.443 283 H ARG 50 HN ARG 50 -2.981 -5.416 3.014 284 HA ARG 50 HA ARG 50 -3.496 -6.413 5.647 285 HB2 ARG 50 HB2 ARG 50 -4.181 -3.827 4.262 286 HB3 ARG 50 HB1 ARG 50 -4.705 -4.177 5.905 287 HG2 ARG 50 HG2 ARG 50 -2.183 -4.653 6.326 288 HG3 ARG 50 HG1 ARG 50 -1.952 -3.699 4.857 289 HD2 ARG 50 HD2 ARG 50 -3.263 -1.877 5.888 290 HD3 ARG 50 HD1 ARG 50 -3.380 -2.826 7.367 291 HE ARG 50 HE ARG 50 -0.671 -2.451 6.526 292 HH11 ARG 50 HH11 ARG 50 -2.333 0.089 9.161 293 HH12 ARG 50 HH12 ARG 50 -3.350 -0.942 8.213 294 HH21 ARG 50 HH21 ARG 50 0.665 -1.057 7.787 295 HH22 ARG 50 HH22 ARG 50 -0.072 0.026 8.922 296 H GLN 51 HN GLN 51 -5.277 -6.239 2.708 297 HA GLN 51 HA GLN 51 -7.859 -6.590 3.952 298 HB2 GLN 51 HB2 GLN 51 -7.041 -6.918 1.056 299 HB3 GLN 51 HB1 GLN 51 -8.692 -6.876 1.658 300 HG2 GLN 51 HG2 GLN 51 -6.694 -4.629 1.696 301 HG3 GLN 51 HG1 GLN 51 -8.136 -4.753 0.690 302 HE21 GLN 51 HE21 GLN 51 -10.144 -4.395 1.599 303 HE22 GLN 51 HE22 GLN 51 -10.336 -3.630 3.136 304 H GLY 52 HN GLY 52 -5.321 -8.535 2.595 305 HA2 GLY 52 HA2 GLY 52 -4.892 -10.782 3.013 306 HA3 GLY 52 HA1 GLY 52 -6.476 -10.923 3.760 307 H LEU 53 HN LEU 53 -5.940 -9.606 0.551 308 HA LEU 53 HA LEU 53 -7.001 -12.079 -0.627 309 HB2 LEU 53 HB2 LEU 53 -8.088 -9.303 -1.078 310 HB3 LEU 53 HB1 LEU 53 -8.478 -10.678 -2.094 311 HG LEU 53 HG LEU 53 -9.002 -10.771 0.858 312 HD11 LEU 53 HD11 LEU 53 -10.076 -8.747 0.150 313 HD12 LEU 53 HD12 LEU 53 -11.302 -10.000 0.352 314 HD13 LEU 53 HD13 LEU 53 -10.757 -9.551 -1.264 315 HD21 LEU 53 HD21 LEU 53 -9.141 -12.846 -0.441 316 HD22 LEU 53 HD22 LEU 53 -10.316 -12.088 -1.517 317 HD23 LEU 53 HD23 LEU 53 -10.719 -12.357 0.177 318 H SER 54 HN SER 54 -6.942 -11.914 -3.088 319 HA SER 54 HA SER 54 -4.257 -11.305 -3.872 320 HB2 SER 54 HB2 SER 54 -5.390 -13.289 -4.743 321 HB3 SER 54 HB1 SER 54 -6.649 -12.285 -5.455 322 HG SER 54 HG SER 54 -5.042 -12.949 -6.974 323 H MET 55 HN MET 55 -3.556 -9.739 -5.323 324 HA MET 55 HA MET 55 -5.022 -7.297 -5.331 325 HB2 MET 55 HB2 MET 55 -2.433 -7.747 -5.478 326 HB3 MET 55 HB1 MET 55 -2.742 -7.772 -7.209 327 HG2 MET 55 HG2 MET 55 -3.979 -5.514 -6.685 328 HG3 MET 55 HG1 MET 55 -2.917 -5.520 -5.280 329 HE1 MET 55 HE1 MET 55 -2.653 -6.500 -9.093 330 HE2 MET 55 HE2 MET 55 -1.655 -5.173 -9.684 331 HE3 MET 55 HE3 MET 55 -3.269 -4.848 -9.052 332 H ARG 56 HN ARG 56 -5.213 -10.041 -7.234 333 HA ARG 56 HA ARG 56 -5.998 -8.718 -9.679 334 HB2 ARG 56 HB2 ARG 56 -4.846 -11.053 -9.371 335 HB3 ARG 56 HB1 ARG 56 -6.491 -11.623 -9.119 336 HG2 ARG 56 HG2 ARG 56 -7.118 -10.704 -11.320 337 HG3 ARG 56 HG1 ARG 56 -5.440 -10.221 -11.572 338 HD2 ARG 56 HD2 ARG 56 -4.884 -12.689 -11.128 339 HD3 ARG 56 HD1 ARG 56 -6.603 -12.979 -11.399 340 HE ARG 56 HE ARG 56 -5.786 -11.493 -13.549 341 HH11 ARG 56 HH11 ARG 56 -4.850 -14.548 -12.124 342 HH12 ARG 56 HH12 ARG 56 -4.341 -15.239 -13.630 343 HH21 ARG 56 HH21 ARG 56 -5.088 -12.402 -15.532 344 HH22 ARG 56 HH22 ARG 56 -4.477 -14.024 -15.561 345 H GLN 57 HN GLN 57 -7.493 -9.411 -6.757 346 HA GLN 57 HA GLN 57 -10.130 -9.883 -7.887 347 HB2 GLN 57 HB2 GLN 57 -9.443 -11.067 -5.844 348 HB3 GLN 57 HB1 GLN 57 -9.265 -9.528 -5.012 349 HG2 GLN 57 HG2 GLN 57 -11.663 -9.107 -5.315 350 HG3 GLN 57 HG1 GLN 57 -11.826 -10.674 -6.105 351 HE21 GLN 57 HE21 GLN 57 -13.059 -9.613 -3.671 352 HE22 GLN 57 HE22 GLN 57 -12.662 -10.744 -2.422 353 H ILE 58 HN ILE 58 -8.283 -7.253 -6.529 354 HA ILE 58 HA ILE 58 -10.675 -5.550 -6.586 355 HB ILE 58 HB ILE 58 -9.277 -3.912 -5.304 356 HG12 ILE 58 HG12 ILE 58 -7.400 -6.274 -5.015 357 HG13 ILE 58 HG11 ILE 58 -7.068 -4.831 -5.968 358 HG21 ILE 58 HG21 ILE 58 -9.707 -6.616 -4.042 359 HG22 ILE 58 HG22 ILE 58 -10.913 -5.342 -4.212 360 HG23 ILE 58 HG23 ILE 58 -9.510 -5.094 -3.174 361 HD11 ILE 58 HD11 ILE 58 -7.543 -4.854 -3.002 362 HD12 ILE 58 HD12 ILE 58 -7.082 -3.468 -3.986 363 HD13 ILE 58 HD13 ILE 58 -5.961 -4.813 -3.776 364 H ARG 59 HN ARG 59 -10.253 -3.246 -7.217 365 HA ARG 59 HA ARG 59 -8.252 -2.988 -9.354 366 HB2 ARG 59 HB2 ARG 59 -11.193 -2.315 -9.602 367 HB3 ARG 59 HB1 ARG 59 -9.965 -1.827 -10.759 368 HG2 ARG 59 HG2 ARG 59 -10.644 -4.677 -10.076 369 HG3 ARG 59 HG1 ARG 59 -11.261 -3.795 -11.473 370 HD2 ARG 59 HD2 ARG 59 -8.907 -3.454 -12.211 371 HD3 ARG 59 HD1 ARG 59 -8.387 -4.487 -10.881 372 HE ARG 59 HE ARG 59 -9.722 -5.308 -13.328 373 HH11 ARG 59 HH11 ARG 59 -8.640 -6.186 -10.121 374 HH12 ARG 59 HH12 ARG 59 -8.697 -7.897 -10.428 375 HH21 ARG 59 HH21 ARG 59 -9.791 -7.569 -13.745 376 HH22 ARG 59 HH22 ARG 59 -9.349 -8.681 -12.493 377 H PHE 60 HN PHE 60 -7.239 -1.048 -9.345 378 HA PHE 60 HA PHE 60 -8.230 0.963 -7.438 379 HB2 PHE 60 HB2 PHE 60 -5.471 0.431 -8.543 380 HB3 PHE 60 HB1 PHE 60 -5.875 1.888 -7.646 381 HD1 PHE 60 HD1 PHE 60 -5.839 -1.811 -7.398 382 HD2 PHE 60 HD2 PHE 60 -5.781 1.909 -5.329 383 HE1 PHE 60 HE1 PHE 60 -5.364 -2.991 -5.291 384 HE2 PHE 60 HE2 PHE 60 -5.308 0.735 -3.221 385 HZ PHE 60 HZ PHE 60 -5.097 -1.719 -3.203 386 H ARG 61 HN ARG 61 -8.789 2.962 -8.106 387 HA ARG 61 HA ARG 61 -8.207 3.671 -10.903 388 HB2 ARG 61 HB2 ARG 61 -10.853 3.863 -9.471 389 HB3 ARG 61 HB1 ARG 61 -10.497 4.783 -10.926 390 HG2 ARG 61 HG2 ARG 61 -9.929 2.524 -11.985 391 HG3 ARG 61 HG1 ARG 61 -10.771 1.824 -10.602 392 HD2 ARG 61 HD2 ARG 61 -12.710 3.333 -11.183 393 HD3 ARG 61 HD1 ARG 61 -11.876 3.679 -12.698 394 HE ARG 61 HE ARG 61 -11.941 1.077 -12.875 395 HH11 ARG 61 HH11 ARG 61 -15.740 2.134 -12.112 396 HH12 ARG 61 HH12 ARG 61 -14.444 3.199 -11.668 397 HH21 ARG 61 HH21 ARG 61 -13.638 -0.337 -13.446 398 HH22 ARG 61 HH22 ARG 61 -15.281 0.125 -13.129 399 H PHE 62 HN PHE 62 -7.704 5.716 -11.317 400 HA PHE 62 HA PHE 62 -7.848 7.694 -9.151 401 HB2 PHE 62 HB2 PHE 62 -5.565 6.978 -9.104 402 HB3 PHE 62 HB1 PHE 62 -5.463 6.963 -10.860 403 HD1 PHE 62 HD1 PHE 62 -5.933 9.268 -7.976 404 HD2 PHE 62 HD2 PHE 62 -4.595 8.783 -11.990 405 HE1 PHE 62 HE1 PHE 62 -5.014 11.547 -7.941 406 HE2 PHE 62 HE2 PHE 62 -3.675 11.066 -11.961 407 HZ PHE 62 HZ PHE 62 -3.882 12.448 -9.934 408 H ASP 63 HN ASP 63 -8.986 9.379 -9.836 409 HA ASP 63 HA ASP 63 -9.885 11.010 -11.145 410 HB2 ASP 63 HB2 ASP 63 -7.501 11.393 -11.822 411 HB3 ASP 63 HB1 ASP 63 -7.746 10.293 -13.174 412 H GLY 64 HN GLY 64 -10.632 8.170 -11.273 413 HA2 GLY 64 HA2 GLY 64 -12.415 7.099 -12.308 414 HA3 GLY 64 HA1 GLY 64 -12.431 8.364 -13.526 415 H GLN 65 HN GLN 65 -9.310 7.299 -13.278 416 HA GLN 65 HA GLN 65 -9.718 5.395 -15.488 417 HB2 GLN 65 HB2 GLN 65 -7.209 6.991 -14.986 418 HB3 GLN 65 HB1 GLN 65 -7.649 6.100 -16.437 419 HG2 GLN 65 HG2 GLN 65 -8.977 8.604 -15.414 420 HG3 GLN 65 HG1 GLN 65 -7.880 8.488 -16.789 421 HE21 GLN 65 HE21 GLN 65 -10.743 9.318 -16.484 422 HE22 GLN 65 HE22 GLN 65 -11.596 8.383 -17.665 423 HA PRO 66 HA PRO 66 -7.883 2.316 -12.865 424 HB2 PRO 66 HB2 PRO 66 -7.002 0.923 -15.290 425 HB3 PRO 66 HB1 PRO 66 -8.185 0.418 -14.079 426 HG2 PRO 66 HG2 PRO 66 -8.923 1.133 -16.560 427 HG3 PRO 66 HG1 PRO 66 -9.939 1.445 -15.137 428 HD2 PRO 66 HD2 PRO 66 -8.178 3.331 -16.646 429 HD3 PRO 66 HD1 PRO 66 -9.793 3.592 -15.955 430 H ILE 67 HN ILE 67 -5.902 1.908 -12.000 431 HA ILE 67 HA ILE 67 -3.629 3.248 -13.269 432 HB ILE 67 HB ILE 67 -3.392 1.993 -10.576 433 HG12 ILE 67 HG12 ILE 67 -4.774 4.647 -11.028 434 HG13 ILE 67 HG11 ILE 67 -5.611 3.159 -10.601 435 HG21 ILE 67 HG21 ILE 67 -2.000 3.972 -10.170 436 HG22 ILE 67 HG22 ILE 67 -2.405 4.578 -11.777 437 HG23 ILE 67 HG23 ILE 67 -1.478 3.089 -11.606 438 HD11 ILE 67 HD11 ILE 67 -3.531 4.541 -8.928 439 HD12 ILE 67 HD12 ILE 67 -4.393 3.066 -8.500 440 HD13 ILE 67 HD13 ILE 67 -5.273 4.586 -8.663 441 H ASN 68 HN ASN 68 -1.726 2.230 -13.768 442 HA ASN 68 HA ASN 68 -1.882 -0.700 -13.974 443 HB2 ASN 68 HB2 ASN 68 0.175 1.029 -15.338 444 HB3 ASN 68 HB1 ASN 68 -0.381 -0.578 -15.792 445 HD21 ASN 68 HD21 ASN 68 -1.033 2.815 -15.865 446 HD22 ASN 68 HD22 ASN 68 -2.309 2.754 -17.037 447 H GLU 69 HN GLU 69 0.364 -1.781 -13.828 448 HA GLU 69 HA GLU 69 1.487 -1.037 -11.263 449 HB2 GLU 69 HB2 GLU 69 1.979 -3.380 -13.100 450 HB3 GLU 69 HB1 GLU 69 2.831 -3.149 -11.580 451 HG2 GLU 69 HG2 GLU 69 0.729 -3.243 -10.368 452 HG3 GLU 69 HG1 GLU 69 -0.148 -3.434 -11.883 453 H THR 70 HN THR 70 1.965 0.521 -13.814 454 HA THR 70 HA THR 70 4.898 0.630 -13.594 455 HB THR 70 HB THR 70 4.759 1.473 -16.045 456 HG1 THR 70 HG1 THR 70 2.897 0.136 -17.028 457 HG21 THR 70 HG21 THR 70 4.288 -1.429 -15.363 458 HG22 THR 70 HG22 THR 70 5.847 -0.611 -15.441 459 HG23 THR 70 HG23 THR 70 4.896 -0.835 -16.908 460 H ASP 71 HN ASP 71 2.414 2.152 -12.527 461 HA ASP 71 HA ASP 71 3.100 4.820 -13.539 462 HB2 ASP 71 HB2 ASP 71 0.642 3.839 -12.079 463 HB3 ASP 71 HB1 ASP 71 0.944 5.529 -12.473 464 H THR 72 HN THR 72 3.400 6.550 -12.135 465 HA THR 72 HA THR 72 3.978 5.894 -9.327 466 HB THR 72 HB THR 72 5.833 7.831 -9.869 467 HG1 THR 72 HG1 THR 72 6.028 6.045 -12.072 468 HG21 THR 72 HG21 THR 72 6.227 4.845 -10.077 469 HG22 THR 72 HG22 THR 72 6.260 5.801 -8.596 470 HG23 THR 72 HG23 THR 72 7.509 6.028 -9.821 471 HA PRO 73 HA PRO 73 1.667 9.527 -8.269 472 HB2 PRO 73 HB2 PRO 73 3.963 10.514 -6.670 473 HB3 PRO 73 HB1 PRO 73 2.301 10.186 -6.164 474 HG2 PRO 73 HG2 PRO 73 4.269 8.549 -5.468 475 HG3 PRO 73 HG1 PRO 73 2.666 7.924 -5.910 476 HD2 PRO 73 HD2 PRO 73 5.188 7.954 -7.511 477 HD3 PRO 73 HD1 PRO 73 3.933 6.703 -7.403 478 H ALA 74 HN ALA 74 5.086 10.143 -8.986 479 HA ALA 74 HA ALA 74 4.642 12.867 -9.775 480 HB1 ALA 74 HB1 ALA 74 7.032 11.076 -10.176 481 HB2 ALA 74 HB2 ALA 74 6.781 12.210 -8.851 482 HB3 ALA 74 HB3 ALA 74 6.993 12.809 -10.494 483 H GLN 75 HN GLN 75 4.082 9.923 -11.272 484 HA GLN 75 HA GLN 75 4.531 10.946 -13.972 485 HB2 GLN 75 HB2 GLN 75 5.245 8.628 -13.361 486 HB3 GLN 75 HB1 GLN 75 3.558 8.217 -13.101 487 HG2 GLN 75 HG2 GLN 75 4.370 7.457 -15.272 488 HG3 GLN 75 HG1 GLN 75 3.060 8.628 -15.428 489 HE21 GLN 75 HE21 GLN 75 3.643 9.191 -17.498 490 HE22 GLN 75 HE22 GLN 75 5.051 10.125 -17.851 491 H LEU 76 HN LEU 76 1.991 10.108 -11.738 492 HA LEU 76 HA LEU 76 -0.063 10.574 -13.756 493 HB2 LEU 76 HB2 LEU 76 -0.206 9.622 -10.898 494 HB3 LEU 76 HB1 LEU 76 -1.622 9.925 -11.887 495 HG LEU 76 HG LEU 76 0.524 7.903 -12.538 496 HD11 LEU 76 HD11 LEU 76 -1.096 6.229 -11.871 497 HD12 LEU 76 HD12 LEU 76 -2.237 7.491 -11.409 498 HD13 LEU 76 HD13 LEU 76 -0.723 7.299 -10.522 499 HD21 LEU 76 HD21 LEU 76 -2.164 8.475 -13.783 500 HD22 LEU 76 HD22 LEU 76 -1.151 7.081 -14.160 501 HD23 LEU 76 HD23 LEU 76 -0.579 8.708 -14.526 502 H GLU 77 HN GLU 77 1.768 12.526 -12.032 503 HA GLU 77 HA GLU 77 1.643 14.647 -11.248 504 HB2 GLU 77 HB2 GLU 77 -0.766 14.543 -13.042 505 HB3 GLU 77 HB1 GLU 77 -0.353 16.001 -12.147 506 HG2 GLU 77 HG2 GLU 77 1.443 14.586 -14.099 507 HG3 GLU 77 HG1 GLU 77 0.501 16.038 -14.432 508 H MET 78 HN MET 78 0.830 12.759 -9.464 509 HA MET 78 HA MET 78 -1.677 13.573 -8.266 510 HB2 MET 78 HB2 MET 78 0.430 11.690 -7.199 511 HB3 MET 78 HB1 MET 78 -1.212 11.870 -6.594 512 HG2 MET 78 HG2 MET 78 -2.090 11.032 -8.703 513 HG3 MET 78 HG1 MET 78 -0.447 10.878 -9.327 514 HE1 MET 78 HE1 MET 78 -3.125 9.566 -6.845 515 HE2 MET 78 HE2 MET 78 -1.859 10.063 -5.725 516 HE3 MET 78 HE3 MET 78 -2.242 8.356 -5.918 517 H GLU 79 HN GLU 79 -1.911 14.572 -6.268 518 HA GLU 79 HA GLU 79 0.514 15.917 -5.257 519 HB2 GLU 79 HB2 GLU 79 -1.848 17.086 -6.318 520 HB3 GLU 79 HB1 GLU 79 -1.854 17.387 -4.584 521 HG2 GLU 79 HG2 GLU 79 0.340 18.100 -6.516 522 HG3 GLU 79 HG1 GLU 79 -0.792 19.216 -5.756 523 H ASP 80 HN ASP 80 -0.259 16.937 -2.941 524 HA ASP 80 HA ASP 80 -0.525 14.642 -1.292 525 HB2 ASP 80 HB2 ASP 80 -0.107 17.521 -0.895 526 HB3 ASP 80 HB1 ASP 80 -1.018 16.745 0.398 527 H GLU 81 HN GLU 81 -2.183 13.953 -0.021 528 HA GLU 81 HA GLU 81 -4.294 13.567 0.694 529 HB2 GLU 81 HB2 GLU 81 -4.679 16.397 -0.230 530 HB3 GLU 81 HB1 GLU 81 -6.041 15.428 0.311 531 HG2 GLU 81 HG2 GLU 81 -4.446 15.020 2.388 532 HG3 GLU 81 HG1 GLU 81 -3.781 16.562 1.850 533 H ASP 82 HN ASP 82 -3.309 13.366 -2.273 534 HA ASP 82 HA ASP 82 -5.685 13.379 -3.829 535 HB2 ASP 82 HB2 ASP 82 -2.951 12.933 -4.326 536 HB3 ASP 82 HB1 ASP 82 -3.766 11.443 -4.795 537 H THR 83 HN THR 83 -7.308 11.992 -3.821 538 HA THR 83 HA THR 83 -7.058 9.585 -2.195 539 HB THR 83 HB THR 83 -9.584 10.717 -3.389 540 HG1 THR 83 HG1 THR 83 -8.046 11.944 -1.688 541 HG21 THR 83 HG21 THR 83 -9.704 8.414 -2.537 542 HG22 THR 83 HG22 THR 83 -10.667 9.520 -1.557 543 HG23 THR 83 HG23 THR 83 -9.095 8.965 -0.978 544 H ILE 84 HN ILE 84 -7.258 7.571 -2.922 545 HA ILE 84 HA ILE 84 -7.636 7.168 -5.819 546 HB ILE 84 HB ILE 84 -6.160 5.403 -3.848 547 HG12 ILE 84 HG12 ILE 84 -5.078 7.184 -6.048 548 HG13 ILE 84 HG11 ILE 84 -4.954 7.497 -4.319 549 HG21 ILE 84 HG21 ILE 84 -7.180 4.110 -5.631 550 HG22 ILE 84 HG22 ILE 84 -5.429 4.154 -5.831 551 HG23 ILE 84 HG23 ILE 84 -6.457 5.169 -6.841 552 HD11 ILE 84 HD11 ILE 84 -3.668 5.347 -4.134 553 HD12 ILE 84 HD12 ILE 84 -2.869 6.640 -5.025 554 HD13 ILE 84 HD13 ILE 84 -3.632 5.311 -5.897 555 H ASP 85 HN ASP 85 -9.217 5.767 -6.474 556 HA ASP 85 HA ASP 85 -11.032 4.813 -4.397 557 HB2 ASP 85 HB2 ASP 85 -11.300 5.169 -7.374 558 HB3 ASP 85 HB1 ASP 85 -12.473 4.228 -6.459 559 H VAL 86 HN VAL 86 -11.468 2.717 -3.988 560 HA VAL 86 HA VAL 86 -9.972 0.714 -5.548 561 HB VAL 86 HB VAL 86 -10.594 0.521 -2.596 562 HG11 VAL 86 HG11 VAL 86 -10.416 -1.640 -3.570 563 HG12 VAL 86 HG12 VAL 86 -8.913 -1.324 -2.706 564 HG13 VAL 86 HG13 VAL 86 -8.963 -1.187 -4.463 565 HG21 VAL 86 HG21 VAL 86 -7.963 1.172 -3.915 566 HG22 VAL 86 HG22 VAL 86 -8.244 0.960 -2.185 567 HG23 VAL 86 HG23 VAL 86 -8.980 2.316 -3.039 568 H PHE 87 HN PHE 87 -11.329 -0.508 -6.661 569 HA PHE 87 HA PHE 87 -13.981 -1.083 -5.511 570 HB2 PHE 87 HB2 PHE 87 -13.129 -1.002 -8.411 571 HB3 PHE 87 HB1 PHE 87 -14.740 -1.424 -7.838 572 HD1 PHE 87 HD1 PHE 87 -15.968 0.360 -6.430 573 HD2 PHE 87 HD2 PHE 87 -12.611 1.193 -8.911 574 HE1 PHE 87 HE1 PHE 87 -16.617 2.735 -6.502 575 HE2 PHE 87 HE2 PHE 87 -13.251 3.564 -8.987 576 HZ PHE 87 HZ PHE 87 -15.255 4.342 -7.785 577 H GLN 88 HN GLN 88 -14.873 -3.173 -6.741 578 HA GLN 88 HA GLN 88 -12.821 -5.270 -6.464 579 HB2 GLN 88 HB2 GLN 88 -15.760 -5.323 -5.752 580 HB3 GLN 88 HB1 GLN 88 -14.761 -6.766 -5.832 581 HG2 GLN 88 HG2 GLN 88 -13.611 -4.680 -4.165 582 HG3 GLN 88 HG1 GLN 88 -15.197 -5.215 -3.612 583 HE21 GLN 88 HE21 GLN 88 -12.630 -5.581 -2.349 584 HE22 GLN 88 HE22 GLN 88 -12.391 -7.286 -2.194 585 H GLN 89 HN GLN 89 -12.965 -7.047 -7.914 586 HA GLN 89 HA GLN 89 -14.091 -6.330 -10.476 587 HB2 GLN 89 HB2 GLN 89 -11.821 -7.437 -10.131 588 HB3 GLN 89 HB1 GLN 89 -12.698 -8.910 -9.747 589 HG2 GLN 89 HG2 GLN 89 -11.911 -8.844 -12.072 590 HG3 GLN 89 HG1 GLN 89 -13.665 -8.971 -11.944 591 HE21 GLN 89 HE21 GLN 89 -14.027 -8.137 -13.974 592 HE22 GLN 89 HE22 GLN 89 -13.778 -6.470 -14.352 593 H GLN 90 HN GLN 90 -15.680 -7.520 -11.585 594 HA GLN 90 HA GLN 90 -17.738 -8.586 -9.926 595 HB2 GLN 90 HB2 GLN 90 -17.514 -8.714 -12.940 596 HB3 GLN 90 HB1 GLN 90 -18.978 -8.933 -11.992 597 HG2 GLN 90 HG2 GLN 90 -19.236 -6.771 -12.698 598 HG3 GLN 90 HG1 GLN 90 -18.438 -6.516 -11.146 599 HE21 GLN 90 HE21 GLN 90 -17.543 -4.546 -11.719 600 HE22 GLN 90 HE22 GLN 90 -16.268 -4.404 -12.876 601 H THR 91 HN THR 91 -18.122 -10.632 -9.358 602 HA THR 91 HA THR 91 -16.250 -12.680 -10.191 603 HB THR 91 HB THR 91 -17.766 -14.068 -8.551 604 HG1 THR 91 HG1 THR 91 -19.106 -11.862 -8.528 605 HG21 THR 91 HG21 THR 91 -16.441 -13.183 -6.638 606 HG22 THR 91 HG22 THR 91 -15.896 -11.864 -7.677 607 HG23 THR 91 HG23 THR 91 -15.469 -13.530 -8.065 608 H GLY 92 HN GLY 92 -18.686 -11.537 -11.797 609 HA2 GLY 92 HA2 GLY 92 -19.680 -12.548 -13.673 610 HA3 GLY 92 HA1 GLY 92 -19.373 -14.122 -12.955 611 H1 ASP 195 HN ASP 195 -13.073 5.958 15.585 612 HA ASP 195 HA ASP 195 -14.772 5.048 13.653 613 HB2 ASP 195 HB2 ASP 195 -14.523 7.649 13.067 614 HB3 ASP 195 HB1 ASP 195 -13.099 7.052 12.220 615 H THR 196 HN THR 196 -13.069 4.833 11.399 616 HA THR 196 HA THR 196 -10.757 3.489 12.645 617 HB THR 196 HB THR 196 -11.921 2.662 10.008 618 HG1 THR 196 HG1 THR 196 -13.491 1.587 10.983 619 HG21 THR 196 HG21 THR 196 -10.890 0.534 10.541 620 HG22 THR 196 HG22 THR 196 -10.432 1.126 12.136 621 HG23 THR 196 HG23 THR 196 -9.694 1.822 10.694 622 H ALA 197 HN ALA 197 -8.862 4.236 12.116 623 HA ALA 197 HA ALA 197 -8.473 5.547 9.519 624 HB1 ALA 197 HB1 ALA 197 -7.240 6.340 12.155 625 HB2 ALA 197 HB2 ALA 197 -8.488 7.232 11.283 626 HB3 ALA 197 HB3 ALA 197 -6.875 7.068 10.590 627 H GLY 198 HN GLY 198 -6.831 4.739 8.336 628 HA2 GLY 198 HA2 GLY 198 -4.980 2.905 9.734 629 HA3 GLY 198 HA1 GLY 198 -5.617 2.585 8.124 630 H CYS 199 HN CYS 199 -2.847 3.323 9.497 631 HA CYS 199 HA CYS 199 -2.134 5.230 7.360 632 HB2 CYS 199 HB2 CYS 199 -0.302 4.970 9.666 633 HB3 CYS 199 HB1 CYS 199 -0.806 6.409 8.784 634 HG CYS 199 HG CYS 199 -3.302 6.558 10.100 635 H ILE 200 HN ILE 200 -0.842 4.480 5.858 636 HA ILE 200 HA ILE 200 0.919 2.206 6.491 637 HB ILE 200 HB ILE 200 -0.441 2.658 3.830 638 HG12 ILE 200 HG12 ILE 200 -1.095 0.775 6.097 639 HG13 ILE 200 HG11 ILE 200 -2.144 1.992 5.376 640 HG21 ILE 200 HG21 ILE 200 0.619 0.019 4.388 641 HG22 ILE 200 HG22 ILE 200 1.865 1.266 4.441 642 HG23 ILE 200 HG23 ILE 200 0.873 1.071 2.995 643 HD11 ILE 200 HD11 ILE 200 -2.906 -0.078 4.584 644 HD12 ILE 200 HD12 ILE 200 -1.274 -0.634 4.217 645 HD13 ILE 200 HD13 ILE 200 -2.013 0.638 3.242 646 H VAL 201 HN VAL 201 3.031 2.536 6.012 647 HA VAL 201 HA VAL 201 3.665 4.753 4.188 648 HB VAL 201 HB VAL 201 4.362 5.501 6.338 649 HG11 VAL 201 HG11 VAL 201 4.298 3.402 7.553 650 HG12 VAL 201 HG12 VAL 201 5.847 4.209 7.797 651 HG13 VAL 201 HG13 VAL 201 5.734 2.841 6.691 652 HG21 VAL 201 HG21 VAL 201 6.807 5.645 6.088 653 HG22 VAL 201 HG22 VAL 201 5.955 5.925 4.567 654 HG23 VAL 201 HG23 VAL 201 6.738 4.372 4.865 655 H ILE 202 HN ILE 202 4.901 4.248 2.471 656 HA ILE 202 HA ILE 202 6.277 1.657 2.532 657 HB ILE 202 HB ILE 202 5.741 1.147 0.296 658 HG12 ILE 202 HG12 ILE 202 4.567 3.922 0.069 659 HG13 ILE 202 HG11 ILE 202 5.979 3.293 -0.770 660 HG21 ILE 202 HG21 ILE 202 3.274 1.088 0.291 661 HG22 ILE 202 HG22 ILE 202 3.268 2.217 1.647 662 HG23 ILE 202 HG23 ILE 202 3.974 0.613 1.836 663 HD11 ILE 202 HD11 ILE 202 4.403 3.154 -2.408 664 HD12 ILE 202 HD12 ILE 202 3.097 2.782 -1.275 665 HD13 ILE 202 HD13 ILE 202 4.281 1.542 -1.697 666 H SEP 203 HN SEP 203 8.342 1.628 1.901 667 HA SEP 203 HA SEP 203 9.480 4.163 0.953 668 HB2 SEP 203 HB1 SEP 203 11.627 3.121 2.063 669 HB3 SEP 203 HB2 SEP 203 10.446 2.212 3.003 670 H ASP 204 HN ASP 204 10.743 4.127 -0.795 671 HA ASP 204 HA ASP 204 11.265 1.502 -2.015 672 HB2 ASP 204 HB2 ASP 204 9.619 3.123 -3.153 673 HB3 ASP 204 HB1 ASP 204 11.042 4.074 -3.556 674 H SEP 205 HN SEP 205 13.330 1.019 -2.504 675 HA SEP 205 HA SEP 205 15.329 3.138 -2.091 676 HB2 SEP 205 HB1 SEP 205 15.552 1.505 -0.361 677 HB3 SEP 205 HB2 SEP 205 16.842 1.158 -1.514 678 H GLU 206 HN GLU 206 16.668 3.609 -3.690 679 HA GLU 206 HA GLU 206 16.981 1.737 -5.930 680 HB2 GLU 206 HB2 GLU 206 15.289 3.544 -6.454 681 HB3 GLU 206 HB1 GLU 206 16.595 4.709 -6.299 682 HG2 GLU 206 HG2 GLU 206 16.207 4.191 -8.620 683 HG3 GLU 206 HG1 GLU 206 17.792 3.612 -8.119 Start of MODEL 2 1 H1 ASP 16 HN ASP 16 10.566 14.629 -1.330 2 HA ASP 16 HA ASP 16 10.018 15.544 0.910 3 HB2 ASP 16 HB2 ASP 16 8.764 17.451 -0.554 4 HB3 ASP 16 HB1 ASP 16 7.388 16.459 -0.074 5 H HIS 17 HN HIS 17 7.520 15.049 1.897 6 HA HIS 17 HA HIS 17 7.040 12.290 0.972 7 HB2 HIS 17 HB2 HIS 17 7.332 13.462 3.636 8 HB3 HIS 17 HB1 HIS 17 5.894 12.462 3.478 9 HD2 HIS 17 HD2 HIS 17 6.689 9.836 2.180 10 HE1 HIS 17 HE1 HIS 17 10.271 9.916 4.432 11 HE2 HIS 17 HE2 HIS 17 8.707 8.448 3.068 12 H ILE 18 HN ILE 18 5.237 12.021 -0.093 13 HA ILE 18 HA ILE 18 3.067 13.955 0.209 14 HB ILE 18 HB ILE 18 3.908 13.474 -2.067 15 HG12 ILE 18 HG12 ILE 18 1.068 12.514 -1.666 16 HG13 ILE 18 HG11 ILE 18 1.568 14.204 -1.691 17 HG21 ILE 18 HG21 ILE 18 3.466 11.346 -3.147 18 HG22 ILE 18 HG22 ILE 18 2.800 10.705 -1.646 19 HG23 ILE 18 HG23 ILE 18 4.509 11.128 -1.743 20 HD11 ILE 18 HD11 ILE 18 2.352 13.927 -3.991 21 HD12 ILE 18 HD12 ILE 18 0.636 13.554 -3.824 22 HD13 ILE 18 HD13 ILE 18 1.815 12.248 -3.963 23 H ASN 19 HN ASN 19 1.047 13.420 0.958 24 HA ASN 19 HA ASN 19 0.782 10.682 2.018 25 HB2 ASN 19 HB2 ASN 19 -0.117 13.343 3.051 26 HB3 ASN 19 HB1 ASN 19 -1.055 11.911 3.460 27 HD21 ASN 19 HD21 ASN 19 1.985 13.551 3.829 28 HD22 ASN 19 HD22 ASN 19 2.571 12.594 5.145 29 H LEU 20 HN LEU 20 -0.329 9.552 0.574 30 HA LEU 20 HA LEU 20 -2.551 10.759 -0.865 31 HB2 LEU 20 HB2 LEU 20 -1.400 7.966 -1.021 32 HB3 LEU 20 HB1 LEU 20 -2.616 8.631 -2.096 33 HG LEU 20 HG LEU 20 0.200 9.689 -1.837 34 HD11 LEU 20 HD11 LEU 20 0.585 8.667 -4.019 35 HD12 LEU 20 HD12 LEU 20 -1.025 7.951 -3.973 36 HD13 LEU 20 HD13 LEU 20 0.196 7.455 -2.800 37 HD21 LEU 20 HD21 LEU 20 -2.054 10.345 -3.722 38 HD22 LEU 20 HD22 LEU 20 -0.385 10.871 -3.940 39 HD23 LEU 20 HD23 LEU 20 -1.306 11.414 -2.537 40 H LYS 21 HN LYS 21 -4.682 9.762 -0.862 41 HA LYS 21 HA LYS 21 -5.253 8.457 1.723 42 HB2 LYS 21 HB2 LYS 21 -6.964 10.367 0.128 43 HB3 LYS 21 HB1 LYS 21 -7.508 9.508 1.563 44 HG2 LYS 21 HG2 LYS 21 -5.811 10.650 2.895 45 HG3 LYS 21 HG1 LYS 21 -5.255 11.502 1.454 46 HD2 LYS 21 HD2 LYS 21 -7.534 12.465 1.219 47 HD3 LYS 21 HD1 LYS 21 -7.970 11.712 2.753 48 HE2 LYS 21 HE2 LYS 21 -6.407 13.040 3.947 49 HE3 LYS 21 HE1 LYS 21 -5.656 13.609 2.457 50 HZ1 LYS 21 HZ1 LYS 21 -6.983 15.371 3.075 51 HZ2 LYS 21 HZ2 LYS 21 -8.246 14.381 3.625 52 HZ3 LYS 21 HZ3 LYS 21 -7.974 14.556 1.969 53 H VAL 22 HN VAL 22 -5.734 6.391 1.462 54 HA VAL 22 HA VAL 22 -7.169 5.552 -0.957 55 HB VAL 22 HB VAL 22 -5.674 3.939 1.122 56 HG11 VAL 22 HG11 VAL 22 -7.651 2.703 0.364 57 HG12 VAL 22 HG12 VAL 22 -6.166 1.966 -0.235 58 HG13 VAL 22 HG13 VAL 22 -7.159 2.948 -1.311 59 HG21 VAL 22 HG21 VAL 22 -4.324 5.192 -0.545 60 HG22 VAL 22 HG22 VAL 22 -5.143 4.296 -1.822 61 HG23 VAL 22 HG23 VAL 22 -4.134 3.442 -0.658 62 H ALA 23 HN ALA 23 -9.306 5.740 -0.696 63 HA ALA 23 HA ALA 23 -10.458 5.048 1.918 64 HB1 ALA 23 HB1 ALA 23 -11.617 6.720 -0.309 65 HB2 ALA 23 HB2 ALA 23 -10.929 7.320 1.203 66 HB3 ALA 23 HB3 ALA 23 -12.411 6.361 1.227 67 H GLY 24 HN GLY 24 -11.793 3.384 2.134 68 HA2 GLY 24 HA2 GLY 24 -12.351 1.756 -0.229 69 HA3 GLY 24 HA1 GLY 24 -12.539 1.255 1.448 70 H GLN 25 HN GLN 25 -14.565 0.690 -0.288 71 HA GLN 25 HA GLN 25 -16.529 2.774 -0.347 72 HB2 GLN 25 HB2 GLN 25 -16.892 -0.189 -0.821 73 HB3 GLN 25 HB1 GLN 25 -18.029 1.078 -1.257 74 HG2 GLN 25 HG2 GLN 25 -15.275 0.661 -2.396 75 HG3 GLN 25 HG1 GLN 25 -16.811 0.356 -3.204 76 HE21 GLN 25 HE21 GLN 25 -14.575 2.094 -3.931 77 HE22 GLN 25 HE22 GLN 25 -15.252 3.679 -4.113 78 H ASP 26 HN ASP 26 -15.473 0.646 2.018 79 HA ASP 26 HA ASP 26 -17.975 0.338 3.412 80 HB2 ASP 26 HB2 ASP 26 -16.712 -0.825 5.085 81 HB3 ASP 26 HB1 ASP 26 -16.081 -1.323 3.518 82 H GLY 27 HN GLY 27 -15.248 2.531 3.471 83 HA2 GLY 27 HA2 GLY 27 -15.948 4.806 4.290 84 HA3 GLY 27 HA1 GLY 27 -16.519 3.962 5.721 85 H SER 28 HN SER 28 -13.921 2.220 5.112 86 HA SER 28 HA SER 28 -12.317 3.628 7.055 87 HB2 SER 28 HB2 SER 28 -10.759 1.696 6.769 88 HB3 SER 28 HB1 SER 28 -12.409 1.205 7.152 89 HG SER 28 HG SER 28 -12.726 0.607 5.039 90 H VAL 29 HN VAL 29 -10.487 4.799 6.699 91 HA VAL 29 HA VAL 29 -9.552 5.015 3.920 92 HB VAL 29 HB VAL 29 -10.789 7.041 4.451 93 HG11 VAL 29 HG11 VAL 29 -8.892 7.386 6.767 94 HG12 VAL 29 HG12 VAL 29 -10.602 6.988 6.884 95 HG13 VAL 29 HG13 VAL 29 -10.104 8.550 6.243 96 HG21 VAL 29 HG21 VAL 29 -9.039 8.711 4.024 97 HG22 VAL 29 HG22 VAL 29 -8.831 7.271 3.025 98 HG23 VAL 29 HG23 VAL 29 -7.809 7.516 4.441 99 H VAL 30 HN VAL 30 -7.451 4.696 3.620 100 HA VAL 30 HA VAL 30 -5.738 4.587 6.014 101 HB VAL 30 HB VAL 30 -5.207 3.140 3.422 102 HG11 VAL 30 HG11 VAL 30 -3.658 1.840 4.730 103 HG12 VAL 30 HG12 VAL 30 -4.144 2.678 6.204 104 HG13 VAL 30 HG13 VAL 30 -3.292 3.555 4.929 105 HG21 VAL 30 HG21 VAL 30 -6.030 1.102 4.549 106 HG22 VAL 30 HG22 VAL 30 -7.305 2.293 4.294 107 HG23 VAL 30 HG23 VAL 30 -6.589 2.097 5.894 108 H GLN 31 HN GLN 31 -4.298 6.113 6.171 109 HA GLN 31 HA GLN 31 -3.700 7.900 4.001 110 HB2 GLN 31 HB2 GLN 31 -3.840 8.399 6.558 111 HB3 GLN 31 HB1 GLN 31 -2.192 7.788 6.600 112 HG2 GLN 31 HG2 GLN 31 -1.358 9.652 5.715 113 HG3 GLN 31 HG1 GLN 31 -2.646 9.775 4.515 114 HE21 GLN 31 HE21 GLN 31 -1.397 11.820 6.239 115 HE22 GLN 31 HE22 GLN 31 -2.702 12.554 7.103 116 H PHE 32 HN PHE 32 -2.116 7.635 2.561 117 HA PHE 32 HA PHE 32 -0.184 5.482 3.038 118 HB2 PHE 32 HB2 PHE 32 -1.681 6.412 0.746 119 HB3 PHE 32 HB1 PHE 32 0.039 6.340 0.389 120 HD1 PHE 32 HD1 PHE 32 -2.879 4.359 1.471 121 HD2 PHE 32 HD2 PHE 32 1.151 4.279 0.119 122 HE1 PHE 32 HE1 PHE 32 -3.058 1.936 1.092 123 HE2 PHE 32 HE2 PHE 32 0.982 1.858 -0.258 124 HZ PHE 32 HZ PHE 32 -1.128 0.682 0.218 125 H LYS 33 HN LYS 33 1.623 6.228 3.952 126 HA LYS 33 HA LYS 33 2.737 8.800 3.149 127 HB2 LYS 33 HB2 LYS 33 2.999 8.422 5.478 128 HB3 LYS 33 HB1 LYS 33 3.507 6.753 5.234 129 HG2 LYS 33 HG2 LYS 33 5.607 7.513 4.263 130 HG3 LYS 33 HG1 LYS 33 5.107 9.194 4.450 131 HD2 LYS 33 HD2 LYS 33 5.197 9.046 6.812 132 HD3 LYS 33 HD1 LYS 33 5.342 7.286 6.766 133 HE2 LYS 33 HE2 LYS 33 7.393 9.216 5.668 134 HE3 LYS 33 HE1 LYS 33 7.484 8.457 7.255 135 HZ1 LYS 33 HZ1 LYS 33 8.823 7.209 5.735 136 HZ2 LYS 33 HZ2 LYS 33 7.563 7.082 4.620 137 HZ3 LYS 33 HZ3 LYS 33 7.462 6.281 6.105 138 H ILE 34 HN ILE 34 3.517 8.647 1.143 139 HA ILE 34 HA ILE 34 5.696 6.746 0.701 140 HB ILE 34 HB ILE 34 4.763 5.638 -1.019 141 HG12 ILE 34 HG12 ILE 34 3.376 8.148 -1.971 142 HG13 ILE 34 HG11 ILE 34 4.979 7.628 -2.472 143 HG21 ILE 34 HG21 ILE 34 2.944 5.572 0.627 144 HG22 ILE 34 HG22 ILE 34 2.365 5.423 -1.035 145 HG23 ILE 34 HG23 ILE 34 2.192 6.953 -0.174 146 HD11 ILE 34 HD11 ILE 34 2.454 6.061 -2.922 147 HD12 ILE 34 HD12 ILE 34 4.067 5.666 -3.513 148 HD13 ILE 34 HD13 ILE 34 3.237 7.098 -4.111 149 H LYS 35 HN LYS 35 6.961 7.383 -1.301 150 HA LYS 35 HA LYS 35 7.137 10.303 -1.354 151 HB2 LYS 35 HB2 LYS 35 9.090 8.098 -1.915 152 HB3 LYS 35 HB1 LYS 35 9.362 9.703 -2.584 153 HG2 LYS 35 HG2 LYS 35 9.794 10.629 -0.550 154 HG3 LYS 35 HG1 LYS 35 8.755 9.492 0.310 155 HD2 LYS 35 HD2 LYS 35 10.402 7.735 0.023 156 HD3 LYS 35 HD1 LYS 35 11.431 8.825 -0.908 157 HE2 LYS 35 HE2 LYS 35 11.838 10.190 0.993 158 HE3 LYS 35 HE1 LYS 35 10.576 9.381 1.922 159 HZ1 LYS 35 HZ1 LYS 35 11.876 7.480 2.174 160 HZ2 LYS 35 HZ2 LYS 35 12.978 8.751 2.388 161 HZ3 LYS 35 HZ3 LYS 35 12.932 7.915 0.923 162 H ARG 36 HN ARG 36 7.500 11.359 -3.437 163 HA ARG 36 HA ARG 36 5.575 10.542 -5.329 164 HB2 ARG 36 HB2 ARG 36 7.779 12.596 -5.580 165 HB3 ARG 36 HB1 ARG 36 6.443 12.412 -6.712 166 HG2 ARG 36 HG2 ARG 36 4.850 13.022 -5.038 167 HG3 ARG 36 HG1 ARG 36 6.089 13.006 -3.782 168 HD2 ARG 36 HD2 ARG 36 6.206 15.214 -4.157 169 HD3 ARG 36 HD1 ARG 36 7.152 14.758 -5.571 170 HE ARG 36 HE ARG 36 5.225 15.080 -6.929 171 HH11 ARG 36 HH11 ARG 36 4.764 16.058 -3.591 172 HH12 ARG 36 HH12 ARG 36 3.399 17.066 -3.945 173 HH21 ARG 36 HH21 ARG 36 3.441 16.419 -7.388 174 HH22 ARG 36 HH22 ARG 36 2.634 17.276 -6.103 175 H HIS 37 HN HIS 37 8.889 9.712 -4.950 176 HA HIS 37 HA HIS 37 9.139 8.803 -7.712 177 HB2 HIS 37 HB2 HIS 37 11.441 8.451 -7.286 178 HB3 HIS 37 HB1 HIS 37 11.037 9.943 -6.451 179 HD2 HIS 37 HD2 HIS 37 11.359 9.913 -3.713 180 HE1 HIS 37 HE1 HIS 37 12.872 5.957 -3.521 181 HE2 HIS 37 HE2 HIS 37 12.521 8.115 -2.237 182 H THR 38 HN THR 38 7.871 7.658 -4.901 183 HA THR 38 HA THR 38 8.749 4.926 -5.043 184 HB THR 38 HB THR 38 6.491 6.160 -3.458 185 HG1 THR 38 HG1 THR 38 9.180 6.334 -3.221 186 HG21 THR 38 HG21 THR 38 7.892 3.501 -3.284 187 HG22 THR 38 HG22 THR 38 6.172 3.807 -3.498 188 HG23 THR 38 HG23 THR 38 6.948 4.174 -1.958 189 HA PRO 39 HA PRO 39 5.876 3.769 -8.279 190 HB2 PRO 39 HB2 PRO 39 6.420 1.048 -7.244 191 HB3 PRO 39 HB1 PRO 39 6.618 1.695 -8.879 192 HG2 PRO 39 HG2 PRO 39 8.739 1.205 -7.354 193 HG3 PRO 39 HG1 PRO 39 8.684 2.615 -8.428 194 HD2 PRO 39 HD2 PRO 39 8.305 2.485 -5.471 195 HD3 PRO 39 HD1 PRO 39 9.144 3.702 -6.456 196 H LEU 40 HN LEU 40 3.785 2.997 -8.471 197 HA LEU 40 HA LEU 40 2.270 2.945 -6.010 198 HB2 LEU 40 HB2 LEU 40 1.377 2.727 -8.880 199 HB3 LEU 40 HB1 LEU 40 0.306 2.877 -7.501 200 HG LEU 40 HG LEU 40 2.317 4.954 -8.366 201 HD11 LEU 40 HD11 LEU 40 0.475 4.710 -9.960 202 HD12 LEU 40 HD12 LEU 40 0.398 6.246 -9.097 203 HD13 LEU 40 HD13 LEU 40 -0.682 4.927 -8.645 204 HD21 LEU 40 HD21 LEU 40 0.196 4.979 -6.223 205 HD22 LEU 40 HD22 LEU 40 1.105 6.391 -6.758 206 HD23 LEU 40 HD23 LEU 40 1.942 5.047 -5.985 207 H SER 41 HN SER 41 3.895 0.640 -7.712 208 HA SER 41 HA SER 41 2.119 -1.519 -7.827 209 HB2 SER 41 HB2 SER 41 4.327 -2.870 -7.576 210 HB3 SER 41 HB1 SER 41 4.142 -1.815 -8.978 211 HG SER 41 HG SER 41 6.182 -1.597 -7.874 212 H LYS 42 HN LYS 42 4.383 -0.534 -5.273 213 HA LYS 42 HA LYS 42 3.632 -2.579 -3.462 214 HB2 LYS 42 HB2 LYS 42 4.536 -0.420 -1.915 215 HB3 LYS 42 HB1 LYS 42 5.467 -1.809 -2.447 216 HG2 LYS 42 HG2 LYS 42 6.328 -0.638 -4.312 217 HG3 LYS 42 HG1 LYS 42 5.162 0.671 -4.117 218 HD2 LYS 42 HD2 LYS 42 7.388 1.327 -3.341 219 HD3 LYS 42 HD1 LYS 42 6.220 1.328 -2.017 220 HE2 LYS 42 HE2 LYS 42 8.268 0.342 -1.241 221 HE3 LYS 42 HE1 LYS 42 7.052 -0.926 -1.368 222 HZ1 LYS 42 HZ1 LYS 42 9.193 -0.372 -3.365 223 HZ2 LYS 42 HZ2 LYS 42 8.036 -1.608 -3.464 224 HZ3 LYS 42 HZ3 LYS 42 9.193 -1.636 -2.233 225 H LEU 43 HN LEU 43 2.327 0.525 -4.241 226 HA LEU 43 HA LEU 43 0.804 0.985 -1.916 227 HB2 LEU 43 HB2 LEU 43 1.383 2.629 -3.737 228 HB3 LEU 43 HB1 LEU 43 0.147 1.874 -4.720 229 HG LEU 43 HG LEU 43 -0.814 2.734 -2.088 230 HD11 LEU 43 HD11 LEU 43 -0.571 5.014 -2.297 231 HD12 LEU 43 HD12 LEU 43 -0.266 4.932 -4.030 232 HD13 LEU 43 HD13 LEU 43 0.984 4.443 -2.889 233 HD21 LEU 43 HD21 LEU 43 -1.776 3.452 -4.849 234 HD22 LEU 43 HD22 LEU 43 -2.695 3.449 -3.344 235 HD23 LEU 43 HD23 LEU 43 -2.169 1.926 -4.060 236 H MET 44 HN MET 44 0.048 -0.655 -4.949 237 HA MET 44 HA MET 44 -2.669 -1.176 -4.194 238 HB2 MET 44 HB2 MET 44 -0.940 -2.194 -6.445 239 HB3 MET 44 HB1 MET 44 -2.616 -2.682 -6.228 240 HG2 MET 44 HG2 MET 44 -3.333 -0.363 -6.450 241 HG3 MET 44 HG1 MET 44 -1.655 0.142 -6.650 242 HE1 MET 44 HE1 MET 44 -0.676 -1.160 -10.121 243 HE2 MET 44 HE2 MET 44 -0.297 -1.860 -8.548 244 HE3 MET 44 HE3 MET 44 -0.269 -0.111 -8.764 245 H LYS 45 HN LYS 45 0.355 -2.790 -3.703 246 HA LYS 45 HA LYS 45 -0.968 -5.310 -3.113 247 HB2 LYS 45 HB2 LYS 45 1.892 -4.495 -3.402 248 HB3 LYS 45 HB1 LYS 45 1.479 -6.005 -2.596 249 HG2 LYS 45 HG2 LYS 45 0.161 -6.616 -4.643 250 HG3 LYS 45 HG1 LYS 45 0.863 -5.202 -5.429 251 HD2 LYS 45 HD2 LYS 45 2.534 -7.360 -4.163 252 HD3 LYS 45 HD1 LYS 45 2.019 -7.411 -5.850 253 HE2 LYS 45 HE2 LYS 45 3.120 -5.254 -6.236 254 HE3 LYS 45 HE1 LYS 45 3.656 -5.232 -4.557 255 HZ1 LYS 45 HZ1 LYS 45 4.423 -7.217 -6.625 256 HZ2 LYS 45 HZ2 LYS 45 4.887 -7.291 -5.002 257 HZ3 LYS 45 HZ3 LYS 45 5.414 -6.014 -5.974 258 H ALA 46 HN ALA 46 0.862 -2.819 -1.354 259 HA ALA 46 HA ALA 46 1.088 -4.122 1.098 260 HB1 ALA 46 HB1 ALA 46 2.230 -2.024 0.602 261 HB2 ALA 46 HB2 ALA 46 1.310 -1.903 2.101 262 HB3 ALA 46 HB3 ALA 46 0.688 -1.169 0.621 263 H TYR 47 HN TYR 47 -1.510 -1.978 -0.026 264 HA TYR 47 HA TYR 47 -3.107 -2.215 2.290 265 HB2 TYR 47 HB2 TYR 47 -3.473 -0.371 0.804 266 HB3 TYR 47 HB1 TYR 47 -3.762 -1.446 -0.561 267 HD1 TYR 47 HD1 TYR 47 -5.933 -2.190 -1.058 268 HD2 TYR 47 HD2 TYR 47 -5.152 -0.371 2.711 269 HE1 TYR 47 HE1 TYR 47 -8.345 -2.139 -0.590 270 HE2 TYR 47 HE2 TYR 47 -7.563 -0.318 3.185 271 HH TYR 47 HH TYR 47 -9.683 -0.345 1.974 272 H CYS 48 HN CYS 48 -2.858 -4.079 -0.657 273 HA CYS 48 HA CYS 48 -5.208 -5.610 -0.364 274 HB2 CYS 48 HB2 CYS 48 -3.688 -5.311 -2.424 275 HB3 CYS 48 HB1 CYS 48 -2.707 -6.588 -1.714 276 HG CYS 48 HG CYS 48 -4.374 -8.606 -2.100 277 H GLU 49 HN GLU 49 -1.871 -6.104 0.731 278 HA GLU 49 HA GLU 49 -2.253 -8.726 1.721 279 HB2 GLU 49 HB2 GLU 49 -0.247 -6.607 2.513 280 HB3 GLU 49 HB1 GLU 49 -0.176 -8.282 3.034 281 HG2 GLU 49 HG2 GLU 49 0.002 -7.308 0.190 282 HG3 GLU 49 HG1 GLU 49 1.351 -7.841 1.190 283 H ARG 50 HN ARG 50 -2.935 -5.569 3.008 284 HA ARG 50 HA ARG 50 -3.199 -6.330 5.737 285 HB2 ARG 50 HB2 ARG 50 -3.862 -3.954 4.096 286 HB3 ARG 50 HB1 ARG 50 -4.803 -4.167 5.564 287 HG2 ARG 50 HG2 ARG 50 -2.575 -4.397 6.768 288 HG3 ARG 50 HG1 ARG 50 -1.845 -3.777 5.284 289 HD2 ARG 50 HD2 ARG 50 -3.168 -1.764 5.426 290 HD3 ARG 50 HD1 ARG 50 -4.032 -2.391 6.828 291 HE ARG 50 HE ARG 50 -1.158 -2.168 7.125 292 HH11 ARG 50 HH11 ARG 50 -3.706 0.427 8.818 293 HH12 ARG 50 HH12 ARG 50 -4.278 -0.656 7.590 294 HH21 ARG 50 HH21 ARG 50 -0.401 -0.738 8.723 295 HH22 ARG 50 HH22 ARG 50 -1.496 0.380 9.470 296 H GLN 51 HN GLN 51 -5.495 -5.956 3.070 297 HA GLN 51 HA GLN 51 -7.738 -6.709 4.691 298 HB2 GLN 51 HB2 GLN 51 -7.514 -6.496 1.684 299 HB3 GLN 51 HB1 GLN 51 -9.009 -6.666 2.590 300 HG2 GLN 51 HG2 GLN 51 -7.188 -4.307 2.377 301 HG3 GLN 51 HG1 GLN 51 -8.930 -4.402 2.124 302 HE21 GLN 51 HE21 GLN 51 -10.306 -4.466 3.942 303 HE22 GLN 51 HE22 GLN 51 -9.768 -3.928 5.495 304 H GLY 52 HN GLY 52 -5.375 -8.355 2.825 305 HA2 GLY 52 HA2 GLY 52 -4.922 -10.619 2.793 306 HA3 GLY 52 HA1 GLY 52 -6.394 -10.903 3.707 307 H LEU 53 HN LEU 53 -5.725 -9.449 0.529 308 HA LEU 53 HA LEU 53 -7.378 -11.534 -0.710 309 HB2 LEU 53 HB2 LEU 53 -7.681 -8.556 -1.143 310 HB3 LEU 53 HB1 LEU 53 -8.436 -9.785 -2.141 311 HG LEU 53 HG LEU 53 -8.956 -9.514 0.815 312 HD11 LEU 53 HD11 LEU 53 -9.622 -7.478 -0.459 313 HD12 LEU 53 HD12 LEU 53 -10.968 -8.338 0.284 314 HD13 LEU 53 HD13 LEU 53 -10.667 -8.500 -1.445 315 HD21 LEU 53 HD21 LEU 53 -9.455 -11.707 -0.050 316 HD22 LEU 53 HD22 LEU 53 -10.346 -11.009 -1.404 317 HD23 LEU 53 HD23 LEU 53 -10.967 -10.842 0.240 318 H SER 54 HN SER 54 -7.276 -11.073 -3.240 319 HA SER 54 HA SER 54 -4.422 -10.943 -3.884 320 HB2 SER 54 HB2 SER 54 -6.336 -12.744 -4.643 321 HB3 SER 54 HB1 SER 54 -6.335 -11.644 -6.018 322 HG SER 54 HG SER 54 -4.056 -12.955 -4.928 323 H MET 55 HN MET 55 -3.624 -9.519 -5.473 324 HA MET 55 HA MET 55 -4.860 -6.993 -5.581 325 HB2 MET 55 HB2 MET 55 -2.354 -7.842 -6.023 326 HB3 MET 55 HB1 MET 55 -2.887 -7.669 -7.690 327 HG2 MET 55 HG2 MET 55 -3.654 -5.330 -7.019 328 HG3 MET 55 HG1 MET 55 -2.687 -5.565 -5.563 329 HE1 MET 55 HE1 MET 55 -2.217 -6.475 -9.395 330 HE2 MET 55 HE2 MET 55 -1.125 -5.178 -9.869 331 HE3 MET 55 HE3 MET 55 -2.759 -4.801 -9.324 332 H ARG 56 HN ARG 56 -5.288 -9.784 -7.517 333 HA ARG 56 HA ARG 56 -6.399 -8.322 -9.764 334 HB2 ARG 56 HB2 ARG 56 -5.069 -10.538 -9.857 335 HB3 ARG 56 HB1 ARG 56 -6.574 -11.295 -9.360 336 HG2 ARG 56 HG2 ARG 56 -7.690 -10.465 -11.337 337 HG3 ARG 56 HG1 ARG 56 -6.229 -9.605 -11.829 338 HD2 ARG 56 HD2 ARG 56 -5.038 -11.748 -11.976 339 HD3 ARG 56 HD1 ARG 56 -6.517 -12.593 -11.519 340 HE ARG 56 HE ARG 56 -7.166 -11.085 -13.735 341 HH11 ARG 56 HH11 ARG 56 -4.895 -13.631 -12.972 342 HH12 ARG 56 HH12 ARG 56 -4.887 -14.279 -14.582 343 HH21 ARG 56 HH21 ARG 56 -7.152 -11.926 -15.855 344 HH22 ARG 56 HH22 ARG 56 -6.167 -13.308 -16.223 345 H GLN 57 HN GLN 57 -7.502 -9.139 -6.761 346 HA GLN 57 HA GLN 57 -10.230 -9.784 -7.595 347 HB2 GLN 57 HB2 GLN 57 -8.758 -9.833 -4.987 348 HB3 GLN 57 HB1 GLN 57 -10.514 -9.757 -4.986 349 HG2 GLN 57 HG2 GLN 57 -10.672 -11.827 -6.175 350 HG3 GLN 57 HG1 GLN 57 -8.927 -11.871 -6.417 351 HE21 GLN 57 HE21 GLN 57 -10.793 -13.741 -5.083 352 HE22 GLN 57 HE22 GLN 57 -10.149 -13.971 -3.494 353 H ILE 58 HN ILE 58 -8.324 -7.139 -6.491 354 HA ILE 58 HA ILE 58 -10.755 -5.495 -6.234 355 HB ILE 58 HB ILE 58 -9.326 -3.928 -4.876 356 HG12 ILE 58 HG12 ILE 58 -7.472 -6.323 -4.773 357 HG13 ILE 58 HG11 ILE 58 -7.131 -4.807 -5.600 358 HG21 ILE 58 HG21 ILE 58 -9.815 -6.699 -3.795 359 HG22 ILE 58 HG22 ILE 58 -10.957 -5.355 -3.816 360 HG23 ILE 58 HG23 ILE 58 -9.511 -5.265 -2.811 361 HD11 ILE 58 HD11 ILE 58 -7.528 -5.155 -2.637 362 HD12 ILE 58 HD12 ILE 58 -7.189 -3.633 -3.461 363 HD13 ILE 58 HD13 ILE 58 -5.988 -4.924 -3.465 364 H ARG 59 HN ARG 59 -10.562 -3.274 -6.973 365 HA ARG 59 HA ARG 59 -8.479 -2.905 -9.020 366 HB2 ARG 59 HB2 ARG 59 -11.431 -2.318 -9.304 367 HB3 ARG 59 HB1 ARG 59 -10.203 -1.782 -10.439 368 HG2 ARG 59 HG2 ARG 59 -10.891 -4.643 -9.791 369 HG3 ARG 59 HG1 ARG 59 -11.333 -3.767 -11.258 370 HD2 ARG 59 HD2 ARG 59 -8.969 -3.501 -11.814 371 HD3 ARG 59 HD1 ARG 59 -8.521 -4.357 -10.342 372 HE ARG 59 HE ARG 59 -10.253 -5.842 -12.111 373 HH11 ARG 59 HH11 ARG 59 -6.953 -5.098 -11.202 374 HH12 ARG 59 HH12 ARG 59 -6.295 -6.537 -11.910 375 HH21 ARG 59 HH21 ARG 59 -9.377 -7.719 -13.095 376 HH22 ARG 59 HH22 ARG 59 -7.672 -8.023 -12.986 377 H PHE 60 HN PHE 60 -7.697 -0.844 -9.266 378 HA PHE 60 HA PHE 60 -8.642 1.117 -7.278 379 HB2 PHE 60 HB2 PHE 60 -5.863 0.664 -8.384 380 HB3 PHE 60 HB1 PHE 60 -6.310 2.033 -7.372 381 HD1 PHE 60 HD1 PHE 60 -5.816 -1.605 -7.453 382 HD2 PHE 60 HD2 PHE 60 -6.625 1.791 -5.019 383 HE1 PHE 60 HE1 PHE 60 -5.360 -2.945 -5.441 384 HE2 PHE 60 HE2 PHE 60 -6.169 0.458 -3.000 385 HZ PHE 60 HZ PHE 60 -5.529 -1.911 -3.211 386 H ARG 61 HN ARG 61 -8.949 3.234 -7.921 387 HA ARG 61 HA ARG 61 -8.526 3.823 -10.772 388 HB2 ARG 61 HB2 ARG 61 -11.056 3.816 -9.260 389 HB3 ARG 61 HB1 ARG 61 -10.781 5.258 -10.227 390 HG2 ARG 61 HG2 ARG 61 -10.310 3.675 -12.162 391 HG3 ARG 61 HG1 ARG 61 -11.003 2.411 -11.143 392 HD2 ARG 61 HD2 ARG 61 -13.079 3.667 -10.964 393 HD3 ARG 61 HD1 ARG 61 -12.389 4.969 -11.936 394 HE ARG 61 HE ARG 61 -12.303 2.447 -13.277 395 HH11 ARG 61 HH11 ARG 61 -15.404 4.909 -13.904 396 HH12 ARG 61 HH12 ARG 61 -14.380 5.158 -12.529 397 HH21 ARG 61 HH21 ARG 61 -13.640 2.126 -15.091 398 HH22 ARG 61 HH22 ARG 61 -14.987 3.185 -15.362 399 H PHE 62 HN PHE 62 -8.108 5.921 -11.304 400 HA PHE 62 HA PHE 62 -7.996 7.955 -9.218 401 HB2 PHE 62 HB2 PHE 62 -5.756 6.910 -9.166 402 HB3 PHE 62 HB1 PHE 62 -5.586 7.191 -10.896 403 HD1 PHE 62 HD1 PHE 62 -6.310 9.076 -7.761 404 HD2 PHE 62 HD2 PHE 62 -4.427 9.057 -11.577 405 HE1 PHE 62 HE1 PHE 62 -5.357 11.292 -7.298 406 HE2 PHE 62 HE2 PHE 62 -3.472 11.275 -11.119 407 HZ PHE 62 HZ PHE 62 -3.934 12.393 -8.977 408 H ASP 63 HN ASP 63 -8.920 9.715 -10.030 409 HA ASP 63 HA ASP 63 -9.727 11.283 -11.458 410 HB2 ASP 63 HB2 ASP 63 -7.251 11.470 -12.012 411 HB3 ASP 63 HB1 ASP 63 -7.571 10.448 -13.407 412 H GLY 64 HN GLY 64 -10.554 8.440 -11.573 413 HA2 GLY 64 HA2 GLY 64 -12.363 7.473 -12.674 414 HA3 GLY 64 HA1 GLY 64 -12.197 8.668 -13.952 415 H GLN 65 HN GLN 65 -9.176 7.556 -13.533 416 HA GLN 65 HA GLN 65 -9.503 5.564 -15.673 417 HB2 GLN 65 HB2 GLN 65 -6.891 6.853 -14.926 418 HB3 GLN 65 HB1 GLN 65 -7.362 6.140 -16.461 419 HG2 GLN 65 HG2 GLN 65 -8.411 8.720 -15.320 420 HG3 GLN 65 HG1 GLN 65 -7.201 8.564 -16.593 421 HE21 GLN 65 HE21 GLN 65 -9.902 9.789 -16.512 422 HE22 GLN 65 HE22 GLN 65 -10.756 9.076 -17.835 423 HA PRO 66 HA PRO 66 -8.023 2.400 -12.954 424 HB2 PRO 66 HB2 PRO 66 -6.882 0.688 -14.710 425 HB3 PRO 66 HB1 PRO 66 -8.636 0.898 -14.599 426 HG2 PRO 66 HG2 PRO 66 -6.729 2.054 -16.582 427 HG3 PRO 66 HG1 PRO 66 -8.352 1.387 -16.839 428 HD2 PRO 66 HD2 PRO 66 -7.854 4.056 -16.700 429 HD3 PRO 66 HD1 PRO 66 -9.398 3.325 -16.217 430 H ILE 67 HN ILE 67 -6.116 1.634 -11.958 431 HA ILE 67 HA ILE 67 -3.727 3.178 -12.658 432 HB ILE 67 HB ILE 67 -4.264 1.633 -10.118 433 HG12 ILE 67 HG12 ILE 67 -4.556 4.583 -10.736 434 HG13 ILE 67 HG11 ILE 67 -5.850 3.467 -10.315 435 HG21 ILE 67 HG21 ILE 67 -2.353 2.800 -9.219 436 HG22 ILE 67 HG22 ILE 67 -2.163 3.716 -10.712 437 HG23 ILE 67 HG23 ILE 67 -1.876 1.977 -10.698 438 HD11 ILE 67 HD11 ILE 67 -4.736 3.160 -8.096 439 HD12 ILE 67 HD12 ILE 67 -5.370 4.775 -8.397 440 HD13 ILE 67 HD13 ILE 67 -3.641 4.468 -8.539 441 H ASN 68 HN ASN 68 -1.959 2.249 -13.437 442 HA ASN 68 HA ASN 68 -1.947 -0.668 -13.707 443 HB2 ASN 68 HB2 ASN 68 -0.563 1.529 -15.246 444 HB3 ASN 68 HB1 ASN 68 -0.103 -0.161 -15.412 445 HD21 ASN 68 HD21 ASN 68 -2.524 2.228 -16.067 446 HD22 ASN 68 HD22 ASN 68 -3.471 1.264 -17.146 447 H GLU 69 HN GLU 69 0.179 -1.748 -13.565 448 HA GLU 69 HA GLU 69 1.503 -0.951 -11.116 449 HB2 GLU 69 HB2 GLU 69 2.155 -3.309 -12.882 450 HB3 GLU 69 HB1 GLU 69 2.560 -3.103 -11.184 451 HG2 GLU 69 HG2 GLU 69 0.370 -3.484 -10.493 452 HG3 GLU 69 HG1 GLU 69 -0.288 -3.186 -12.100 453 H THR 70 HN THR 70 1.872 0.533 -13.736 454 HA THR 70 HA THR 70 4.816 0.429 -13.756 455 HB THR 70 HB THR 70 4.400 1.299 -16.234 456 HG1 THR 70 HG1 THR 70 2.311 1.148 -16.630 457 HG21 THR 70 HG21 THR 70 4.225 -1.619 -15.464 458 HG22 THR 70 HG22 THR 70 5.715 -0.684 -15.595 459 HG23 THR 70 HG23 THR 70 4.734 -0.985 -17.030 460 H ASP 71 HN ASP 71 2.610 2.210 -12.498 461 HA ASP 71 HA ASP 71 3.670 4.754 -13.547 462 HB2 ASP 71 HB2 ASP 71 0.901 4.049 -12.621 463 HB3 ASP 71 HB1 ASP 71 1.463 5.716 -12.627 464 H THR 72 HN THR 72 3.617 6.548 -12.013 465 HA THR 72 HA THR 72 3.906 5.786 -9.198 466 HB THR 72 HB THR 72 5.918 7.242 -9.022 467 HG1 THR 72 HG1 THR 72 6.972 7.638 -11.168 468 HG21 THR 72 HG21 THR 72 7.020 5.498 -11.016 469 HG22 THR 72 HG22 THR 72 5.792 4.642 -10.092 470 HG23 THR 72 HG23 THR 72 7.150 5.399 -9.260 471 HA PRO 73 HA PRO 73 1.635 9.504 -8.288 472 HB2 PRO 73 HB2 PRO 73 3.902 10.537 -6.663 473 HB3 PRO 73 HB1 PRO 73 2.215 10.269 -6.198 474 HG2 PRO 73 HG2 PRO 73 4.116 8.625 -5.353 475 HG3 PRO 73 HG1 PRO 73 2.518 8.015 -5.824 476 HD2 PRO 73 HD2 PRO 73 5.095 7.898 -7.316 477 HD3 PRO 73 HD1 PRO 73 3.792 6.695 -7.212 478 H ALA 74 HN ALA 74 5.085 10.029 -8.892 479 HA ALA 74 HA ALA 74 4.790 12.706 -9.806 480 HB1 ALA 74 HB1 ALA 74 7.115 12.473 -10.563 481 HB2 ALA 74 HB2 ALA 74 7.045 10.745 -10.225 482 HB3 ALA 74 HB3 ALA 74 6.903 11.908 -8.906 483 H GLN 75 HN GLN 75 4.717 9.560 -11.347 484 HA GLN 75 HA GLN 75 4.927 10.542 -14.022 485 HB2 GLN 75 HB2 GLN 75 5.434 8.183 -13.222 486 HB3 GLN 75 HB1 GLN 75 3.697 7.925 -13.172 487 HG2 GLN 75 HG2 GLN 75 4.643 7.052 -15.215 488 HG3 GLN 75 HG1 GLN 75 3.547 8.387 -15.553 489 HE21 GLN 75 HE21 GLN 75 4.512 8.750 -17.558 490 HE22 GLN 75 HE22 GLN 75 6.073 9.485 -17.706 491 H LEU 76 HN LEU 76 2.281 9.925 -11.811 492 HA LEU 76 HA LEU 76 0.317 10.496 -13.896 493 HB2 LEU 76 HB2 LEU 76 0.070 9.614 -11.026 494 HB3 LEU 76 HB1 LEU 76 -1.315 10.087 -11.988 495 HG LEU 76 HG LEU 76 0.546 7.817 -12.687 496 HD11 LEU 76 HD11 LEU 76 -0.695 7.369 -10.623 497 HD12 LEU 76 HD12 LEU 76 -1.242 6.344 -11.953 498 HD13 LEU 76 HD13 LEU 76 -2.206 7.737 -11.458 499 HD21 LEU 76 HD21 LEU 76 -2.105 8.682 -13.835 500 HD22 LEU 76 HD22 LEU 76 -1.248 7.200 -14.257 501 HD23 LEU 76 HD23 LEU 76 -0.536 8.767 -14.634 502 H GLU 77 HN GLU 77 2.223 12.251 -11.895 503 HA GLU 77 HA GLU 77 2.238 14.369 -11.099 504 HB2 GLU 77 HB2 GLU 77 -0.009 14.714 -13.092 505 HB3 GLU 77 HB1 GLU 77 0.806 16.038 -12.270 506 HG2 GLU 77 HG2 GLU 77 2.090 14.070 -14.154 507 HG3 GLU 77 HG1 GLU 77 1.652 15.737 -14.529 508 H MET 78 HN MET 78 1.072 12.681 -9.418 509 HA MET 78 HA MET 78 -1.559 13.552 -8.621 510 HB2 MET 78 HB2 MET 78 0.413 11.771 -7.172 511 HB3 MET 78 HB1 MET 78 -1.287 11.974 -6.771 512 HG2 MET 78 HG2 MET 78 -1.952 10.955 -8.839 513 HG3 MET 78 HG1 MET 78 -0.278 10.877 -9.381 514 HE1 MET 78 HE1 MET 78 -3.068 9.343 -7.179 515 HE2 MET 78 HE2 MET 78 -2.036 10.033 -5.928 516 HE3 MET 78 HE3 MET 78 -2.181 8.283 -6.084 517 H GLU 79 HN GLU 79 -2.032 14.443 -6.511 518 HA GLU 79 HA GLU 79 0.148 16.188 -5.557 519 HB2 GLU 79 HB2 GLU 79 -2.469 16.843 -6.496 520 HB3 GLU 79 HB1 GLU 79 -2.373 17.243 -4.786 521 HG2 GLU 79 HG2 GLU 79 -0.860 18.366 -7.083 522 HG3 GLU 79 HG1 GLU 79 -1.666 19.191 -5.751 523 H ASP 80 HN ASP 80 -0.469 17.063 -3.269 524 HA ASP 80 HA ASP 80 -0.454 14.824 -1.523 525 HB2 ASP 80 HB2 ASP 80 0.438 17.344 -1.292 526 HB3 ASP 80 HB1 ASP 80 -1.097 17.524 -0.452 527 H GLU 81 HN GLU 81 -1.999 14.074 -0.131 528 HA GLU 81 HA GLU 81 -4.044 13.554 0.681 529 HB2 GLU 81 HB2 GLU 81 -4.741 16.355 -0.203 530 HB3 GLU 81 HB1 GLU 81 -5.825 15.316 0.712 531 HG2 GLU 81 HG2 GLU 81 -4.040 15.182 2.473 532 HG3 GLU 81 HG1 GLU 81 -3.177 16.432 1.585 533 H ASP 82 HN ASP 82 -3.301 13.359 -2.311 534 HA ASP 82 HA ASP 82 -5.731 13.456 -3.758 535 HB2 ASP 82 HB2 ASP 82 -3.026 12.785 -4.322 536 HB3 ASP 82 HB1 ASP 82 -4.020 11.424 -4.833 537 H THR 83 HN THR 83 -7.394 12.084 -3.821 538 HA THR 83 HA THR 83 -7.278 9.749 -2.082 539 HB THR 83 HB THR 83 -9.703 10.824 -3.513 540 HG1 THR 83 HG1 THR 83 -8.292 12.158 -1.797 541 HG21 THR 83 HG21 THR 83 -9.866 8.559 -2.525 542 HG22 THR 83 HG22 THR 83 -10.931 9.718 -1.734 543 HG23 THR 83 HG23 THR 83 -9.424 9.235 -0.960 544 H ILE 84 HN ILE 84 -7.236 7.735 -2.739 545 HA ILE 84 HA ILE 84 -7.440 7.169 -5.617 546 HB ILE 84 HB ILE 84 -6.198 5.545 -3.378 547 HG12 ILE 84 HG12 ILE 84 -4.647 6.604 -5.691 548 HG13 ILE 84 HG11 ILE 84 -5.135 7.750 -4.444 549 HG21 ILE 84 HG21 ILE 84 -7.130 4.094 -5.103 550 HG22 ILE 84 HG22 ILE 84 -5.370 4.061 -5.145 551 HG23 ILE 84 HG23 ILE 84 -6.264 4.992 -6.344 552 HD11 ILE 84 HD11 ILE 84 -3.971 6.489 -2.766 553 HD12 ILE 84 HD12 ILE 84 -2.877 6.830 -4.109 554 HD13 ILE 84 HD13 ILE 84 -3.585 5.224 -3.936 555 H ASP 85 HN ASP 85 -9.000 5.822 -6.377 556 HA ASP 85 HA ASP 85 -11.103 5.077 -4.507 557 HB2 ASP 85 HB2 ASP 85 -10.995 5.840 -7.263 558 HB3 ASP 85 HB1 ASP 85 -11.761 4.258 -7.136 559 H VAL 86 HN VAL 86 -11.757 3.046 -4.055 560 HA VAL 86 HA VAL 86 -10.215 0.820 -5.225 561 HB VAL 86 HB VAL 86 -11.257 0.892 -2.388 562 HG11 VAL 86 HG11 VAL 86 -10.969 -1.337 -3.350 563 HG12 VAL 86 HG12 VAL 86 -9.797 -1.038 -2.067 564 HG13 VAL 86 HG13 VAL 86 -9.298 -0.948 -3.756 565 HG21 VAL 86 HG21 VAL 86 -8.427 1.376 -3.325 566 HG22 VAL 86 HG22 VAL 86 -8.977 1.296 -1.651 567 HG23 VAL 86 HG23 VAL 86 -9.520 2.611 -2.694 568 H PHE 87 HN PHE 87 -11.435 -0.638 -6.218 569 HA PHE 87 HA PHE 87 -14.236 -0.978 -5.372 570 HB2 PHE 87 HB2 PHE 87 -13.164 -0.815 -8.198 571 HB3 PHE 87 HB1 PHE 87 -14.778 -1.392 -7.801 572 HD1 PHE 87 HD1 PHE 87 -16.308 0.210 -6.522 573 HD2 PHE 87 HD2 PHE 87 -12.769 1.442 -8.532 574 HE1 PHE 87 HE1 PHE 87 -17.150 2.521 -6.578 575 HE2 PHE 87 HE2 PHE 87 -13.601 3.756 -8.591 576 HZ PHE 87 HZ PHE 87 -15.794 4.298 -7.613 577 H GLN 88 HN GLN 88 -15.132 -3.094 -6.368 578 HA GLN 88 HA GLN 88 -13.095 -5.181 -5.974 579 HB2 GLN 88 HB2 GLN 88 -16.105 -5.329 -5.696 580 HB3 GLN 88 HB1 GLN 88 -14.998 -6.669 -5.433 581 HG2 GLN 88 HG2 GLN 88 -15.003 -4.109 -3.854 582 HG3 GLN 88 HG1 GLN 88 -15.783 -5.605 -3.349 583 HE21 GLN 88 HE21 GLN 88 -13.584 -4.032 -2.155 584 HE22 GLN 88 HE22 GLN 88 -12.272 -5.144 -1.979 585 H GLN 89 HN GLN 89 -13.148 -7.050 -7.329 586 HA GLN 89 HA GLN 89 -13.826 -6.415 -10.066 587 HB2 GLN 89 HB2 GLN 89 -11.711 -7.580 -9.464 588 HB3 GLN 89 HB1 GLN 89 -12.654 -8.953 -8.899 589 HG2 GLN 89 HG2 GLN 89 -11.750 -9.375 -11.104 590 HG3 GLN 89 HG1 GLN 89 -13.510 -9.305 -11.155 591 HE21 GLN 89 HE21 GLN 89 -13.409 -8.914 -13.380 592 HE22 GLN 89 HE22 GLN 89 -12.982 -7.361 -14.011 593 H GLN 90 HN GLN 90 -15.458 -7.264 -11.253 594 HA GLN 90 HA GLN 90 -17.718 -8.300 -9.901 595 HB2 GLN 90 HB2 GLN 90 -17.064 -7.869 -12.805 596 HB3 GLN 90 HB1 GLN 90 -18.576 -8.616 -12.305 597 HG2 GLN 90 HG2 GLN 90 -18.991 -6.311 -12.668 598 HG3 GLN 90 HG1 GLN 90 -19.038 -6.592 -10.928 599 HE21 GLN 90 HE21 GLN 90 -18.541 -4.536 -10.307 600 HE22 GLN 90 HE22 GLN 90 -17.008 -3.792 -10.600 601 H THR 91 HN THR 91 -17.859 -10.288 -9.144 602 HA THR 91 HA THR 91 -16.401 -12.473 -10.360 603 HB THR 91 HB THR 91 -17.977 -13.574 -8.378 604 HG1 THR 91 HG1 THR 91 -17.101 -11.541 -6.863 605 HG21 THR 91 HG21 THR 91 -15.229 -12.340 -8.166 606 HG22 THR 91 HG22 THR 91 -15.609 -13.991 -8.654 607 HG23 THR 91 HG23 THR 91 -15.919 -13.466 -7.001 608 H GLY 92 HN GLY 92 -17.872 -11.967 -12.344 609 HA2 GLY 92 HA2 GLY 92 -19.279 -13.141 -13.791 610 HA3 GLY 92 HA1 GLY 92 -19.870 -14.072 -12.421 611 H1 ASP 195 HN ASP 195 -12.838 6.695 15.446 612 HA ASP 195 HA ASP 195 -14.849 5.644 14.011 613 HB2 ASP 195 HB2 ASP 195 -14.684 8.042 12.879 614 HB3 ASP 195 HB1 ASP 195 -13.411 7.249 11.955 615 H THR 196 HN THR 196 -13.104 5.570 11.398 616 HA THR 196 HA THR 196 -11.089 3.776 12.559 617 HB THR 196 HB THR 196 -11.516 2.978 9.888 618 HG1 THR 196 HG1 THR 196 -13.642 4.154 10.450 619 HG21 THR 196 HG21 THR 196 -12.214 0.886 10.971 620 HG22 THR 196 HG22 THR 196 -12.406 1.749 12.501 621 HG23 THR 196 HG23 THR 196 -10.805 1.581 11.778 622 H ALA 197 HN ALA 197 -9.110 4.303 12.207 623 HA ALA 197 HA ALA 197 -8.436 5.946 9.864 624 HB1 ALA 197 HB1 ALA 197 -6.744 7.090 11.245 625 HB2 ALA 197 HB2 ALA 197 -7.315 6.205 12.660 626 HB3 ALA 197 HB3 ALA 197 -8.381 7.350 11.847 627 H GLY 198 HN GLY 198 -6.896 5.081 8.620 628 HA2 GLY 198 HA2 GLY 198 -5.226 2.952 9.794 629 HA3 GLY 198 HA1 GLY 198 -5.874 2.875 8.154 630 H CYS 199 HN CYS 199 -3.062 3.147 9.575 631 HA CYS 199 HA CYS 199 -2.133 5.244 7.720 632 HB2 CYS 199 HB2 CYS 199 -0.850 4.358 10.316 633 HB3 CYS 199 HB1 CYS 199 -0.238 5.615 9.247 634 HG CYS 199 HG CYS 199 -2.556 7.241 9.648 635 H ILE 200 HN ILE 200 -0.954 4.535 6.093 636 HA ILE 200 HA ILE 200 0.590 2.068 6.452 637 HB ILE 200 HB ILE 200 -1.358 2.719 4.341 638 HG12 ILE 200 HG12 ILE 200 -0.078 0.181 5.364 639 HG13 ILE 200 HG11 ILE 200 -1.642 0.826 5.848 640 HG21 ILE 200 HG21 ILE 200 -0.146 1.563 2.566 641 HG22 ILE 200 HG22 ILE 200 1.269 1.428 3.610 642 HG23 ILE 200 HG23 ILE 200 0.722 3.016 3.071 643 HD11 ILE 200 HD11 ILE 200 -2.633 0.247 3.821 644 HD12 ILE 200 HD12 ILE 200 -1.570 -1.115 4.172 645 HD13 ILE 200 HD13 ILE 200 -1.081 0.105 2.997 646 H VAL 201 HN VAL 201 2.707 2.216 5.958 647 HA VAL 201 HA VAL 201 3.550 4.586 4.422 648 HB VAL 201 HB VAL 201 4.383 5.084 6.538 649 HG11 VAL 201 HG11 VAL 201 3.796 3.028 7.669 650 HG12 VAL 201 HG12 VAL 201 5.469 3.444 8.017 651 HG13 VAL 201 HG13 VAL 201 5.107 2.175 6.854 652 HG21 VAL 201 HG21 VAL 201 6.832 4.618 6.452 653 HG22 VAL 201 HG22 VAL 201 6.165 5.258 4.949 654 HG23 VAL 201 HG23 VAL 201 6.525 3.538 5.092 655 H ILE 202 HN ILE 202 4.624 4.132 2.590 656 HA ILE 202 HA ILE 202 6.077 1.579 2.482 657 HB ILE 202 HB ILE 202 5.536 1.204 0.196 658 HG12 ILE 202 HG12 ILE 202 4.129 3.887 0.189 659 HG13 ILE 202 HG11 ILE 202 5.607 3.478 -0.672 660 HG21 ILE 202 HG21 ILE 202 3.852 0.423 1.710 661 HG22 ILE 202 HG22 ILE 202 3.095 0.978 0.217 662 HG23 ILE 202 HG23 ILE 202 3.030 1.985 1.665 663 HD11 ILE 202 HD11 ILE 202 4.404 2.935 -2.420 664 HD12 ILE 202 HD12 ILE 202 2.909 3.206 -1.516 665 HD13 ILE 202 HD13 ILE 202 3.678 1.617 -1.491 666 H SEP 203 HN SEP 203 8.138 1.803 2.127 667 HA SEP 203 HA SEP 203 9.119 4.302 0.952 668 HB2 SEP 203 HB1 SEP 203 11.166 3.940 2.331 669 HB3 SEP 203 HB2 SEP 203 10.377 2.555 3.080 670 H ASP 204 HN ASP 204 10.427 4.105 -0.809 671 HA ASP 204 HA ASP 204 11.268 1.364 -1.493 672 HB2 ASP 204 HB2 ASP 204 9.449 2.449 -2.928 673 HB3 ASP 204 HB1 ASP 204 10.707 3.535 -3.514 674 H SEP 205 HN SEP 205 13.342 1.063 -1.574 675 HA SEP 205 HA SEP 205 15.146 3.301 -2.205 676 HB2 SEP 205 HB1 SEP 205 16.694 2.502 -0.587 677 HB3 SEP 205 HB2 SEP 205 15.859 0.958 -0.451 678 H GLU 206 HN GLU 206 16.503 2.947 -3.897 679 HA GLU 206 HA GLU 206 16.319 0.386 -5.247 680 HB2 GLU 206 HB2 GLU 206 16.154 2.513 -6.517 681 HB3 GLU 206 HB1 GLU 206 17.811 2.887 -6.063 682 HG2 GLU 206 HG2 GLU 206 17.620 1.992 -8.339 683 HG3 GLU 206 HG1 GLU 206 18.629 0.996 -7.294 Start of MODEL 3 1 H1 ASP 16 HN ASP 16 11.529 13.334 0.011 2 HA ASP 16 HA ASP 16 10.306 15.299 1.569 3 HB2 ASP 16 HB2 ASP 16 10.188 16.166 -0.980 4 HB3 ASP 16 HB1 ASP 16 8.747 15.157 -0.959 5 H HIS 17 HN HIS 17 7.874 14.774 1.835 6 HA HIS 17 HA HIS 17 7.380 11.922 1.322 7 HB2 HIS 17 HB2 HIS 17 7.531 13.305 3.938 8 HB3 HIS 17 HB1 HIS 17 6.172 12.204 3.731 9 HD2 HIS 17 HD2 HIS 17 7.380 9.635 2.442 10 HE1 HIS 17 HE1 HIS 17 10.495 9.940 5.295 11 HE2 HIS 17 HE2 HIS 17 9.321 8.394 3.654 12 H ILE 18 HN ILE 18 5.527 11.647 0.310 13 HA ILE 18 HA ILE 18 3.546 13.806 0.414 14 HB ILE 18 HB ILE 18 4.357 13.240 -1.835 15 HG12 ILE 18 HG12 ILE 18 1.828 12.262 -2.487 16 HG13 ILE 18 HG11 ILE 18 1.586 13.149 -0.985 17 HG21 ILE 18 HG21 ILE 18 3.786 11.079 -2.861 18 HG22 ILE 18 HG22 ILE 18 3.228 10.502 -1.290 19 HG23 ILE 18 HG23 ILE 18 4.926 10.920 -1.524 20 HD11 ILE 18 HD11 ILE 18 2.548 15.131 -1.964 21 HD12 ILE 18 HD12 ILE 18 1.232 14.534 -2.977 22 HD13 ILE 18 HD13 ILE 18 2.907 14.256 -3.452 23 H ASN 19 HN ASN 19 1.498 13.449 1.135 24 HA ASN 19 HA ASN 19 0.997 10.761 2.220 25 HB2 ASN 19 HB2 ASN 19 0.259 13.485 3.228 26 HB3 ASN 19 HB1 ASN 19 -0.693 12.083 3.694 27 HD21 ASN 19 HD21 ASN 19 2.218 13.815 4.137 28 HD22 ASN 19 HD22 ASN 19 2.900 12.800 5.363 29 H LEU 20 HN LEU 20 -0.359 9.643 1.075 30 HA LEU 20 HA LEU 20 -2.464 11.028 -0.436 31 HB2 LEU 20 HB2 LEU 20 -1.536 8.164 -0.666 32 HB3 LEU 20 HB1 LEU 20 -2.647 8.990 -1.741 33 HG LEU 20 HG LEU 20 0.225 9.832 -1.383 34 HD11 LEU 20 HD11 LEU 20 0.640 8.699 -3.531 35 HD12 LEU 20 HD12 LEU 20 -0.978 8.003 -3.452 36 HD13 LEU 20 HD13 LEU 20 0.225 7.577 -2.235 37 HD21 LEU 20 HD21 LEU 20 -1.866 10.478 -3.452 38 HD22 LEU 20 HD22 LEU 20 -0.175 10.962 -3.543 39 HD23 LEU 20 HD23 LEU 20 -1.201 11.576 -2.247 40 H LYS 21 HN LYS 21 -4.602 9.859 -0.525 41 HA LYS 21 HA LYS 21 -5.194 8.547 2.044 42 HB2 LYS 21 HB2 LYS 21 -6.707 10.786 0.706 43 HB3 LYS 21 HB1 LYS 21 -7.430 9.766 1.941 44 HG2 LYS 21 HG2 LYS 21 -5.747 10.482 3.546 45 HG3 LYS 21 HG1 LYS 21 -4.972 11.471 2.308 46 HD2 LYS 21 HD2 LYS 21 -6.885 12.901 2.150 47 HD3 LYS 21 HD1 LYS 21 -7.831 11.827 3.183 48 HE2 LYS 21 HE2 LYS 21 -6.337 12.312 5.063 49 HE3 LYS 21 HE1 LYS 21 -5.377 13.370 4.030 50 HZ1 LYS 21 HZ1 LYS 21 -8.222 13.946 4.187 51 HZ2 LYS 21 HZ2 LYS 21 -6.899 15.006 4.128 52 HZ3 LYS 21 HZ3 LYS 21 -7.319 14.249 5.584 53 H VAL 22 HN VAL 22 -5.578 6.496 1.415 54 HA VAL 22 HA VAL 22 -7.111 5.977 -1.009 55 HB VAL 22 HB VAL 22 -5.817 4.099 0.982 56 HG11 VAL 22 HG11 VAL 22 -7.799 3.030 0.078 57 HG12 VAL 22 HG12 VAL 22 -6.348 2.296 -0.604 58 HG13 VAL 22 HG13 VAL 22 -7.293 3.433 -1.563 59 HG21 VAL 22 HG21 VAL 22 -4.267 5.328 -0.454 60 HG22 VAL 22 HG22 VAL 22 -5.132 4.760 -1.882 61 HG23 VAL 22 HG23 VAL 22 -4.281 3.611 -0.849 62 H ALA 23 HN ALA 23 -9.234 5.470 -1.041 63 HA ALA 23 HA ALA 23 -10.567 5.148 1.566 64 HB1 ALA 23 HB1 ALA 23 -11.663 6.511 -0.891 65 HB2 ALA 23 HB2 ALA 23 -11.033 7.324 0.541 66 HB3 ALA 23 HB3 ALA 23 -12.483 6.330 0.659 67 H GLY 24 HN GLY 24 -12.130 3.642 1.787 68 HA2 GLY 24 HA2 GLY 24 -12.469 1.755 -0.455 69 HA3 GLY 24 HA1 GLY 24 -12.643 1.346 1.250 70 H GLN 25 HN GLN 25 -14.651 0.670 -0.516 71 HA GLN 25 HA GLN 25 -16.668 2.693 -0.646 72 HB2 GLN 25 HB2 GLN 25 -16.707 -0.273 -1.143 73 HB3 GLN 25 HB1 GLN 25 -18.152 0.719 -1.271 74 HG2 GLN 25 HG2 GLN 25 -15.624 1.046 -2.872 75 HG3 GLN 25 HG1 GLN 25 -17.146 0.364 -3.445 76 HE21 GLN 25 HE21 GLN 25 -15.555 2.713 -4.284 77 HE22 GLN 25 HE22 GLN 25 -16.654 4.048 -4.244 78 H ASP 26 HN ASP 26 -15.533 1.020 1.948 79 HA ASP 26 HA ASP 26 -18.130 0.748 3.260 80 HB2 ASP 26 HB2 ASP 26 -16.920 -0.377 5.050 81 HB3 ASP 26 HB1 ASP 26 -16.501 -1.091 3.495 82 H GLY 27 HN GLY 27 -15.254 2.748 3.283 83 HA2 GLY 27 HA2 GLY 27 -15.790 5.073 4.069 84 HA3 GLY 27 HA1 GLY 27 -16.439 4.296 5.505 85 H SER 28 HN SER 28 -13.972 2.369 5.003 86 HA SER 28 HA SER 28 -12.337 3.482 7.020 87 HB2 SER 28 HB2 SER 28 -10.690 1.701 6.206 88 HB3 SER 28 HB1 SER 28 -12.267 1.122 6.735 89 HG SER 28 HG SER 28 -12.807 0.639 4.713 90 H VAL 29 HN VAL 29 -10.250 4.396 6.871 91 HA VAL 29 HA VAL 29 -9.401 5.317 4.224 92 HB VAL 29 HB VAL 29 -10.634 7.188 5.179 93 HG11 VAL 29 HG11 VAL 29 -10.470 6.640 7.535 94 HG12 VAL 29 HG12 VAL 29 -9.917 8.289 7.241 95 HG13 VAL 29 HG13 VAL 29 -8.742 7.002 7.514 96 HG21 VAL 29 HG21 VAL 29 -8.889 8.905 5.100 97 HG22 VAL 29 HG22 VAL 29 -8.682 7.705 3.822 98 HG23 VAL 29 HG23 VAL 29 -7.658 7.652 5.258 99 H VAL 30 HN VAL 30 -7.302 4.962 3.887 100 HA VAL 30 HA VAL 30 -5.598 4.558 6.258 101 HB VAL 30 HB VAL 30 -4.905 3.293 3.626 102 HG11 VAL 30 HG11 VAL 30 -3.610 1.805 4.967 103 HG12 VAL 30 HG12 VAL 30 -4.404 2.355 6.444 104 HG13 VAL 30 HG13 VAL 30 -3.317 3.437 5.575 105 HG21 VAL 30 HG21 VAL 30 -6.051 1.235 4.299 106 HG22 VAL 30 HG22 VAL 30 -7.197 2.555 4.066 107 HG23 VAL 30 HG23 VAL 30 -6.733 2.067 5.696 108 H GLN 31 HN GLN 31 -4.229 6.124 6.502 109 HA GLN 31 HA GLN 31 -3.567 8.048 4.520 110 HB2 GLN 31 HB2 GLN 31 -3.566 8.490 6.971 111 HB3 GLN 31 HB1 GLN 31 -2.186 7.414 7.145 112 HG2 GLN 31 HG2 GLN 31 -0.931 8.951 5.598 113 HG3 GLN 31 HG1 GLN 31 -2.287 10.070 5.741 114 HE21 GLN 31 HE21 GLN 31 0.421 10.541 6.531 115 HE22 GLN 31 HE22 GLN 31 0.406 10.823 8.240 116 H PHE 32 HN PHE 32 -2.109 7.838 2.920 117 HA PHE 32 HA PHE 32 -0.208 5.612 3.108 118 HB2 PHE 32 HB2 PHE 32 -1.882 6.546 1.014 119 HB3 PHE 32 HB1 PHE 32 -0.217 6.802 0.509 120 HD1 PHE 32 HD1 PHE 32 -2.834 4.401 1.000 121 HD2 PHE 32 HD2 PHE 32 1.368 4.854 0.524 122 HE1 PHE 32 HE1 PHE 32 -2.640 2.012 0.415 123 HE2 PHE 32 HE2 PHE 32 1.556 2.473 -0.058 124 HZ PHE 32 HZ PHE 32 -0.447 1.051 -0.120 125 H LYS 33 HN LYS 33 1.576 6.352 4.110 126 HA LYS 33 HA LYS 33 2.744 8.897 3.275 127 HB2 LYS 33 HB2 LYS 33 2.872 8.657 5.625 128 HB3 LYS 33 HB1 LYS 33 3.367 6.974 5.510 129 HG2 LYS 33 HG2 LYS 33 5.521 7.698 4.562 130 HG3 LYS 33 HG1 LYS 33 5.029 9.379 4.772 131 HD2 LYS 33 HD2 LYS 33 5.036 9.163 7.132 132 HD3 LYS 33 HD1 LYS 33 5.158 7.405 7.040 133 HE2 LYS 33 HE2 LYS 33 7.273 9.314 6.049 134 HE3 LYS 33 HE1 LYS 33 7.297 8.543 7.633 135 HZ1 LYS 33 HZ1 LYS 33 8.662 7.371 5.950 136 HZ2 LYS 33 HZ2 LYS 33 7.259 7.065 5.058 137 HZ3 LYS 33 HZ3 LYS 33 7.437 6.402 6.602 138 H ILE 34 HN ILE 34 3.783 8.741 1.390 139 HA ILE 34 HA ILE 34 5.920 6.747 1.166 140 HB ILE 34 HB ILE 34 5.183 5.750 -0.729 141 HG12 ILE 34 HG12 ILE 34 3.957 8.380 -1.579 142 HG13 ILE 34 HG11 ILE 34 5.463 7.675 -2.157 143 HG21 ILE 34 HG21 ILE 34 2.807 5.460 -0.872 144 HG22 ILE 34 HG22 ILE 34 2.526 6.980 -0.026 145 HG23 ILE 34 HG23 ILE 34 3.253 5.619 0.826 146 HD11 ILE 34 HD11 ILE 34 2.706 6.559 -2.616 147 HD12 ILE 34 HD12 ILE 34 4.216 5.852 -3.190 148 HD13 ILE 34 HD13 ILE 34 3.695 7.422 -3.794 149 H LYS 35 HN LYS 35 7.316 7.410 -0.906 150 HA LYS 35 HA LYS 35 7.733 10.302 -0.637 151 HB2 LYS 35 HB2 LYS 35 9.534 8.121 -1.688 152 HB3 LYS 35 HB1 LYS 35 9.927 9.829 -1.772 153 HG2 LYS 35 HG2 LYS 35 9.490 9.766 0.801 154 HG3 LYS 35 HG1 LYS 35 9.797 8.041 0.600 155 HD2 LYS 35 HD2 LYS 35 11.965 8.473 -0.330 156 HD3 LYS 35 HD1 LYS 35 11.653 10.209 -0.364 157 HE2 LYS 35 HE2 LYS 35 13.006 9.874 1.522 158 HE3 LYS 35 HE1 LYS 35 11.372 10.054 2.156 159 HZ1 LYS 35 HZ1 LYS 35 11.201 7.727 2.501 160 HZ2 LYS 35 HZ2 LYS 35 12.699 8.200 3.133 161 HZ3 LYS 35 HZ3 LYS 35 12.625 7.420 1.636 162 H ARG 36 HN ARG 36 8.650 11.301 -2.805 163 HA ARG 36 HA ARG 36 6.472 11.059 -4.655 164 HB2 ARG 36 HB2 ARG 36 8.977 12.708 -4.984 165 HB3 ARG 36 HB1 ARG 36 7.450 12.915 -5.832 166 HG2 ARG 36 HG2 ARG 36 6.545 13.173 -3.351 167 HG3 ARG 36 HG1 ARG 36 8.210 13.677 -3.070 168 HD2 ARG 36 HD2 ARG 36 7.029 15.654 -3.547 169 HD3 ARG 36 HD1 ARG 36 7.908 15.267 -5.025 170 HE ARG 36 HE ARG 36 5.736 14.275 -5.813 171 HH11 ARG 36 HH11 ARG 36 5.809 16.864 -3.441 172 HH12 ARG 36 HH12 ARG 36 4.230 17.453 -3.855 173 HH21 ARG 36 HH21 ARG 36 3.674 15.059 -6.359 174 HH22 ARG 36 HH22 ARG 36 3.013 16.425 -5.514 175 H HIS 37 HN HIS 37 9.520 9.562 -4.387 176 HA HIS 37 HA HIS 37 9.454 8.820 -7.226 177 HB2 HIS 37 HB2 HIS 37 11.760 8.322 -7.130 178 HB3 HIS 37 HB1 HIS 37 11.575 9.821 -6.238 179 HD2 HIS 37 HD2 HIS 37 11.147 8.966 -3.263 180 HE1 HIS 37 HE1 HIS 37 14.355 6.265 -3.829 181 HE2 HIS 37 HE2 HIS 37 12.947 7.489 -2.113 182 H THR 38 HN THR 38 8.086 7.733 -4.603 183 HA THR 38 HA THR 38 8.891 4.958 -4.681 184 HB THR 38 HB THR 38 6.491 6.063 -3.246 185 HG1 THR 38 HG1 THR 38 9.196 6.014 -2.328 186 HG21 THR 38 HG21 THR 38 8.337 3.732 -2.743 187 HG22 THR 38 HG22 THR 38 6.648 3.659 -3.248 188 HG23 THR 38 HG23 THR 38 7.065 4.258 -1.644 189 HA PRO 39 HA PRO 39 6.040 4.047 -8.028 190 HB2 PRO 39 HB2 PRO 39 6.475 1.246 -7.219 191 HB3 PRO 39 HB1 PRO 39 6.796 2.028 -8.770 192 HG2 PRO 39 HG2 PRO 39 8.790 1.296 -7.151 193 HG3 PRO 39 HG1 PRO 39 8.880 2.759 -8.151 194 HD2 PRO 39 HD2 PRO 39 8.332 2.504 -5.227 195 HD3 PRO 39 HD1 PRO 39 9.284 3.721 -6.099 196 H LEU 40 HN LEU 40 3.907 3.394 -8.224 197 HA LEU 40 HA LEU 40 2.443 3.224 -5.750 198 HB2 LEU 40 HB2 LEU 40 1.528 3.238 -8.621 199 HB3 LEU 40 HB1 LEU 40 0.442 3.229 -7.244 200 HG LEU 40 HG LEU 40 2.419 5.419 -7.912 201 HD11 LEU 40 HD11 LEU 40 0.556 5.340 -9.479 202 HD12 LEU 40 HD12 LEU 40 0.430 6.744 -8.419 203 HD13 LEU 40 HD13 LEU 40 -0.587 5.331 -8.134 204 HD21 LEU 40 HD21 LEU 40 0.383 5.148 -5.707 205 HD22 LEU 40 HD22 LEU 40 1.183 6.660 -6.136 206 HD23 LEU 40 HD23 LEU 40 2.131 5.299 -5.535 207 H SER 41 HN SER 41 3.994 0.960 -7.545 208 HA SER 41 HA SER 41 2.154 -1.147 -7.750 209 HB2 SER 41 HB2 SER 41 4.457 -2.484 -7.440 210 HB3 SER 41 HB1 SER 41 4.060 -1.628 -8.933 211 HG SER 41 HG SER 41 5.844 -0.584 -8.560 212 H LYS 42 HN LYS 42 4.455 -0.292 -5.182 213 HA LYS 42 HA LYS 42 3.747 -2.415 -3.447 214 HB2 LYS 42 HB2 LYS 42 4.643 -0.246 -1.863 215 HB3 LYS 42 HB1 LYS 42 5.545 -1.667 -2.352 216 HG2 LYS 42 HG2 LYS 42 6.447 -0.556 -4.246 217 HG3 LYS 42 HG1 LYS 42 5.341 0.801 -4.054 218 HD2 LYS 42 HD2 LYS 42 7.603 1.350 -3.271 219 HD3 LYS 42 HD1 LYS 42 6.420 1.435 -1.962 220 HE2 LYS 42 HE2 LYS 42 8.420 0.350 -1.165 221 HE3 LYS 42 HE1 LYS 42 7.117 -0.831 -1.254 222 HZ1 LYS 42 HZ1 LYS 42 9.478 -0.558 -3.013 223 HZ2 LYS 42 HZ2 LYS 42 8.091 -1.376 -3.538 224 HZ3 LYS 42 HZ3 LYS 42 8.921 -1.921 -2.174 225 H LEU 43 HN LEU 43 2.409 0.711 -4.082 226 HA LEU 43 HA LEU 43 0.937 1.092 -1.720 227 HB2 LEU 43 HB2 LEU 43 1.277 2.925 -3.221 228 HB3 LEU 43 HB1 LEU 43 0.543 2.054 -4.551 229 HG LEU 43 HG LEU 43 -1.253 2.457 -2.272 230 HD11 LEU 43 HD11 LEU 43 -0.116 4.542 -2.038 231 HD12 LEU 43 HD12 LEU 43 -1.650 4.845 -2.852 232 HD13 LEU 43 HD13 LEU 43 -0.150 4.818 -3.779 233 HD21 LEU 43 HD21 LEU 43 -1.475 3.098 -5.213 234 HD22 LEU 43 HD22 LEU 43 -2.797 3.079 -4.046 235 HD23 LEU 43 HD23 LEU 43 -1.963 1.580 -4.458 236 H MET 44 HN MET 44 0.150 -0.550 -4.743 237 HA MET 44 HA MET 44 -2.535 -1.153 -3.962 238 HB2 MET 44 HB2 MET 44 -0.795 -2.257 -6.170 239 HB3 MET 44 HB1 MET 44 -2.497 -2.654 -5.961 240 HG2 MET 44 HG2 MET 44 -3.069 -0.283 -6.240 241 HG3 MET 44 HG1 MET 44 -1.363 0.084 -6.496 242 HE1 MET 44 HE1 MET 44 -0.576 -1.639 -9.878 243 HE2 MET 44 HE2 MET 44 -0.298 -2.286 -8.261 244 HE3 MET 44 HE3 MET 44 0.010 -0.583 -8.597 245 H LYS 45 HN LYS 45 0.512 -2.946 -3.981 246 HA LYS 45 HA LYS 45 -0.651 -5.410 -3.171 247 HB2 LYS 45 HB2 LYS 45 2.208 -4.452 -3.089 248 HB3 LYS 45 HB1 LYS 45 1.705 -6.095 -2.723 249 HG2 LYS 45 HG2 LYS 45 0.607 -6.016 -5.071 250 HG3 LYS 45 HG1 LYS 45 1.708 -4.663 -5.343 251 HD2 LYS 45 HD2 LYS 45 2.520 -7.437 -4.469 252 HD3 LYS 45 HD1 LYS 45 2.643 -6.808 -6.113 253 HE2 LYS 45 HE2 LYS 45 4.128 -5.009 -5.230 254 HE3 LYS 45 HE1 LYS 45 4.100 -5.821 -3.666 255 HZ1 LYS 45 HZ1 LYS 45 5.128 -6.942 -6.212 256 HZ2 LYS 45 HZ2 LYS 45 5.029 -7.796 -4.757 257 HZ3 LYS 45 HZ3 LYS 45 6.052 -6.455 -4.882 258 H ALA 46 HN ALA 46 0.996 -2.817 -1.369 259 HA ALA 46 HA ALA 46 1.117 -4.122 1.107 260 HB1 ALA 46 HB1 ALA 46 2.314 -2.035 0.626 261 HB2 ALA 46 HB2 ALA 46 1.360 -1.920 2.106 262 HB3 ALA 46 HB3 ALA 46 0.782 -1.162 0.621 263 H TYR 47 HN TYR 47 -1.414 -2.035 -0.245 264 HA TYR 47 HA TYR 47 -3.124 -2.186 2.007 265 HB2 TYR 47 HB2 TYR 47 -3.511 -0.384 0.536 266 HB3 TYR 47 HB1 TYR 47 -3.530 -1.427 -0.878 267 HD1 TYR 47 HD1 TYR 47 -5.548 -2.319 -1.688 268 HD2 TYR 47 HD2 TYR 47 -5.467 -0.508 2.160 269 HE1 TYR 47 HE1 TYR 47 -7.997 -2.420 -1.598 270 HE2 TYR 47 HE2 TYR 47 -7.925 -0.599 2.259 271 HH TYR 47 HH TYR 47 -9.767 -2.473 0.539 272 H CYS 48 HN CYS 48 -2.786 -4.094 -0.923 273 HA CYS 48 HA CYS 48 -5.093 -5.668 -0.655 274 HB2 CYS 48 HB2 CYS 48 -3.469 -5.447 -2.646 275 HB3 CYS 48 HB1 CYS 48 -2.517 -6.684 -1.830 276 HG CYS 48 HG CYS 48 -4.374 -8.674 -1.995 277 H GLU 49 HN GLU 49 -1.787 -6.125 0.535 278 HA GLU 49 HA GLU 49 -2.253 -8.652 1.740 279 HB2 GLU 49 HB2 GLU 49 -0.168 -6.534 2.289 280 HB3 GLU 49 HB1 GLU 49 -0.157 -8.131 3.024 281 HG2 GLU 49 HG2 GLU 49 0.001 -7.579 0.070 282 HG3 GLU 49 HG1 GLU 49 1.372 -7.941 1.117 283 H ARG 50 HN ARG 50 -2.521 -5.335 2.859 284 HA ARG 50 HA ARG 50 -2.850 -5.823 5.604 285 HB2 ARG 50 HB2 ARG 50 -2.875 -3.590 3.916 286 HB3 ARG 50 HB1 ARG 50 -4.454 -3.595 4.690 287 HG2 ARG 50 HG2 ARG 50 -3.238 -3.820 6.889 288 HG3 ARG 50 HG1 ARG 50 -1.751 -3.483 5.994 289 HD2 ARG 50 HD2 ARG 50 -2.836 -1.382 5.165 290 HD3 ARG 50 HD1 ARG 50 -4.171 -1.706 6.269 291 HE ARG 50 HE ARG 50 -1.416 -1.017 7.026 292 HH11 ARG 50 HH11 ARG 50 -4.591 -0.787 9.482 293 HH12 ARG 50 HH12 ARG 50 -4.770 -1.512 7.916 294 HH21 ARG 50 HH21 ARG 50 -1.191 -0.037 9.078 295 HH22 ARG 50 HH22 ARG 50 -2.556 0.048 10.145 296 H GLN 51 HN GLN 51 -5.158 -5.766 2.938 297 HA GLN 51 HA GLN 51 -7.406 -6.228 4.712 298 HB2 GLN 51 HB2 GLN 51 -7.195 -6.116 1.700 299 HB3 GLN 51 HB1 GLN 51 -8.703 -6.365 2.572 300 HG2 GLN 51 HG2 GLN 51 -6.931 -3.934 2.698 301 HG3 GLN 51 HG1 GLN 51 -8.508 -4.059 1.919 302 HE21 GLN 51 HE21 GLN 51 -10.359 -4.174 3.197 303 HE22 GLN 51 HE22 GLN 51 -10.357 -3.714 4.863 304 H GLY 52 HN GLY 52 -5.197 -8.065 2.798 305 HA2 GLY 52 HA2 GLY 52 -4.816 -10.353 2.913 306 HA3 GLY 52 HA1 GLY 52 -6.274 -10.524 3.877 307 H LEU 53 HN LEU 53 -5.868 -9.078 0.669 308 HA LEU 53 HA LEU 53 -7.635 -11.179 -0.396 309 HB2 LEU 53 HB2 LEU 53 -7.661 -8.328 -1.361 310 HB3 LEU 53 HB1 LEU 53 -8.826 -9.594 -1.698 311 HG LEU 53 HG LEU 53 -8.420 -8.385 1.036 312 HD11 LEU 53 HD11 LEU 53 -9.191 -6.631 -0.395 313 HD12 LEU 53 HD12 LEU 53 -10.558 -7.198 0.565 314 HD13 LEU 53 HD13 LEU 53 -10.400 -7.689 -1.122 315 HD21 LEU 53 HD21 LEU 53 -9.396 -10.637 1.003 316 HD22 LEU 53 HD22 LEU 53 -10.654 -10.063 -0.089 317 HD23 LEU 53 HD23 LEU 53 -10.552 -9.424 1.551 318 H SER 54 HN SER 54 -7.640 -10.686 -2.989 319 HA SER 54 HA SER 54 -4.810 -10.873 -3.770 320 HB2 SER 54 HB2 SER 54 -6.009 -12.900 -4.318 321 HB3 SER 54 HB1 SER 54 -7.319 -11.979 -5.060 322 HG SER 54 HG SER 54 -4.692 -12.410 -5.999 323 H MET 55 HN MET 55 -4.002 -9.531 -5.338 324 HA MET 55 HA MET 55 -5.297 -7.070 -5.775 325 HB2 MET 55 HB2 MET 55 -2.774 -7.669 -5.863 326 HB3 MET 55 HB1 MET 55 -3.090 -8.077 -7.544 327 HG2 MET 55 HG2 MET 55 -3.860 -5.820 -7.977 328 HG3 MET 55 HG1 MET 55 -3.639 -5.403 -6.280 329 HE1 MET 55 HE1 MET 55 -0.261 -6.212 -9.299 330 HE2 MET 55 HE2 MET 55 -1.989 -6.270 -9.648 331 HE3 MET 55 HE3 MET 55 -1.242 -7.538 -8.676 332 H ARG 56 HN ARG 56 -5.605 -10.065 -7.366 333 HA ARG 56 HA ARG 56 -6.514 -8.950 -9.878 334 HB2 ARG 56 HB2 ARG 56 -5.284 -11.180 -9.577 335 HB3 ARG 56 HB1 ARG 56 -6.807 -11.810 -8.973 336 HG2 ARG 56 HG2 ARG 56 -7.880 -11.412 -11.068 337 HG3 ARG 56 HG1 ARG 56 -6.473 -10.548 -11.681 338 HD2 ARG 56 HD2 ARG 56 -5.165 -12.667 -11.380 339 HD3 ARG 56 HD1 ARG 56 -6.686 -13.478 -11.031 340 HE ARG 56 HE ARG 56 -7.399 -12.920 -13.287 341 HH11 ARG 56 HH11 ARG 56 -3.966 -12.637 -12.611 342 HH12 ARG 56 HH12 ARG 56 -3.504 -12.777 -14.278 343 HH21 ARG 56 HH21 ARG 56 -6.773 -13.110 -15.477 344 HH22 ARG 56 HH22 ARG 56 -5.091 -13.048 -15.897 345 H GLN 57 HN GLN 57 -7.801 -9.734 -6.827 346 HA GLN 57 HA GLN 57 -10.526 -10.102 -7.762 347 HB2 GLN 57 HB2 GLN 57 -9.599 -11.433 -5.876 348 HB3 GLN 57 HB1 GLN 57 -9.439 -9.952 -4.944 349 HG2 GLN 57 HG2 GLN 57 -11.824 -9.653 -4.916 350 HG3 GLN 57 HG1 GLN 57 -12.046 -11.033 -5.991 351 HE21 GLN 57 HE21 GLN 57 -12.998 -10.453 -3.238 352 HE22 GLN 57 HE22 GLN 57 -12.516 -11.825 -2.305 353 H ILE 58 HN ILE 58 -8.526 -7.507 -7.095 354 HA ILE 58 HA ILE 58 -10.861 -5.773 -6.631 355 HB ILE 58 HB ILE 58 -9.268 -4.205 -5.430 356 HG12 ILE 58 HG12 ILE 58 -7.606 -6.727 -5.255 357 HG13 ILE 58 HG11 ILE 58 -7.169 -5.264 -6.129 358 HG21 ILE 58 HG21 ILE 58 -9.918 -6.855 -4.142 359 HG22 ILE 58 HG22 ILE 58 -10.998 -5.466 -4.275 360 HG23 ILE 58 HG23 ILE 58 -9.542 -5.360 -3.285 361 HD11 ILE 58 HD11 ILE 58 -7.524 -5.510 -3.153 362 HD12 ILE 58 HD12 ILE 58 -7.114 -4.029 -4.021 363 HD13 ILE 58 HD13 ILE 58 -5.995 -5.391 -4.023 364 H ARG 59 HN ARG 59 -10.388 -3.460 -7.238 365 HA ARG 59 HA ARG 59 -8.504 -3.225 -9.477 366 HB2 ARG 59 HB2 ARG 59 -11.458 -2.609 -9.552 367 HB3 ARG 59 HB1 ARG 59 -10.325 -1.918 -10.702 368 HG2 ARG 59 HG2 ARG 59 -10.967 -4.834 -10.320 369 HG3 ARG 59 HG1 ARG 59 -11.395 -3.817 -11.694 370 HD2 ARG 59 HD2 ARG 59 -8.955 -3.487 -12.110 371 HD3 ARG 59 HD1 ARG 59 -8.633 -4.671 -10.850 372 HE ARG 59 HE ARG 59 -9.652 -5.178 -13.514 373 HH11 ARG 59 HH11 ARG 59 -9.093 -6.439 -10.297 374 HH12 ARG 59 HH12 ARG 59 -9.161 -8.102 -10.798 375 HH21 ARG 59 HH21 ARG 59 -9.705 -7.348 -14.185 376 HH22 ARG 59 HH22 ARG 59 -9.509 -8.622 -13.023 377 H PHE 60 HN PHE 60 -7.748 -1.117 -9.835 378 HA PHE 60 HA PHE 60 -8.457 0.816 -7.723 379 HB2 PHE 60 HB2 PHE 60 -5.748 0.245 -8.939 380 HB3 PHE 60 HB1 PHE 60 -6.088 1.626 -7.904 381 HD1 PHE 60 HD1 PHE 60 -5.739 -2.024 -8.030 382 HD2 PHE 60 HD2 PHE 60 -6.351 1.372 -5.539 383 HE1 PHE 60 HE1 PHE 60 -5.264 -3.400 -6.044 384 HE2 PHE 60 HE2 PHE 60 -5.876 0.004 -3.549 385 HZ PHE 60 HZ PHE 60 -5.329 -2.384 -3.804 386 H ARG 61 HN ARG 61 -8.968 2.831 -8.357 387 HA ARG 61 HA ARG 61 -8.431 3.577 -11.151 388 HB2 ARG 61 HB2 ARG 61 -11.029 3.718 -9.646 389 HB3 ARG 61 HB1 ARG 61 -10.704 4.786 -11.003 390 HG2 ARG 61 HG2 ARG 61 -10.359 2.836 -12.447 391 HG3 ARG 61 HG1 ARG 61 -10.738 1.780 -11.084 392 HD2 ARG 61 HD2 ARG 61 -12.967 2.649 -10.950 393 HD3 ARG 61 HD1 ARG 61 -12.607 3.883 -12.155 394 HE ARG 61 HE ARG 61 -12.168 1.272 -13.190 395 HH11 ARG 61 HH11 ARG 61 -15.819 2.904 -13.547 396 HH12 ARG 61 HH12 ARG 61 -14.708 3.541 -12.381 397 HH21 ARG 61 HH21 ARG 61 -13.630 0.434 -14.727 398 HH22 ARG 61 HH22 ARG 61 -15.210 1.134 -14.882 399 H PHE 62 HN PHE 62 -8.018 5.706 -11.541 400 HA PHE 62 HA PHE 62 -8.117 7.591 -9.314 401 HB2 PHE 62 HB2 PHE 62 -5.844 6.735 -9.203 402 HB3 PHE 62 HB1 PHE 62 -5.626 6.990 -10.932 403 HD1 PHE 62 HD1 PHE 62 -6.418 8.854 -7.805 404 HD2 PHE 62 HD2 PHE 62 -4.633 8.946 -11.672 405 HE1 PHE 62 HE1 PHE 62 -5.578 11.123 -7.358 406 HE2 PHE 62 HE2 PHE 62 -3.791 11.215 -11.233 407 HZ PHE 62 HZ PHE 62 -4.266 12.304 -9.078 408 H ASP 63 HN ASP 63 -9.037 9.390 -9.981 409 HA ASP 63 HA ASP 63 -9.808 11.084 -11.276 410 HB2 ASP 63 HB2 ASP 63 -7.249 11.162 -11.761 411 HB3 ASP 63 HB1 ASP 63 -7.696 10.506 -13.332 412 H GLY 64 HN GLY 64 -10.685 8.288 -11.714 413 HA2 GLY 64 HA2 GLY 64 -12.491 7.521 -12.979 414 HA3 GLY 64 HA1 GLY 64 -12.190 8.795 -14.151 415 H GLN 65 HN GLN 65 -9.241 7.519 -13.694 416 HA GLN 65 HA GLN 65 -9.611 5.600 -15.901 417 HB2 GLN 65 HB2 GLN 65 -6.986 6.917 -15.284 418 HB3 GLN 65 HB1 GLN 65 -7.550 6.240 -16.803 419 HG2 GLN 65 HG2 GLN 65 -8.511 8.795 -15.532 420 HG3 GLN 65 HG1 GLN 65 -7.424 8.659 -16.913 421 HE21 GLN 65 HE21 GLN 65 -10.074 9.922 -16.598 422 HE22 GLN 65 HE22 GLN 65 -11.056 9.240 -17.848 423 HA PRO 66 HA PRO 66 -8.086 2.435 -13.207 424 HB2 PRO 66 HB2 PRO 66 -7.142 0.673 -15.048 425 HB3 PRO 66 HB1 PRO 66 -8.869 0.914 -14.744 426 HG2 PRO 66 HG2 PRO 66 -7.181 2.028 -16.937 427 HG3 PRO 66 HG1 PRO 66 -8.826 1.368 -17.011 428 HD2 PRO 66 HD2 PRO 66 -8.331 4.023 -16.978 429 HD3 PRO 66 HD1 PRO 66 -9.786 3.308 -16.252 430 H ILE 67 HN ILE 67 -6.241 2.184 -12.090 431 HA ILE 67 HA ILE 67 -3.826 3.425 -13.070 432 HB ILE 67 HB ILE 67 -4.090 1.849 -10.515 433 HG12 ILE 67 HG12 ILE 67 -4.687 4.790 -10.911 434 HG13 ILE 67 HG11 ILE 67 -5.906 3.541 -10.667 435 HG21 ILE 67 HG21 ILE 67 -2.322 3.396 -9.752 436 HG22 ILE 67 HG22 ILE 67 -2.280 4.108 -11.366 437 HG23 ILE 67 HG23 ILE 67 -1.824 2.420 -11.133 438 HD11 ILE 67 HD11 ILE 67 -3.824 4.486 -8.723 439 HD12 ILE 67 HD12 ILE 67 -4.800 3.040 -8.476 440 HD13 ILE 67 HD13 ILE 67 -5.579 4.619 -8.593 441 H ASN 68 HN ASN 68 -2.001 2.438 -13.759 442 HA ASN 68 HA ASN 68 -2.189 -0.432 -14.294 443 HB2 ASN 68 HB2 ASN 68 -1.391 1.529 -15.925 444 HB3 ASN 68 HB1 ASN 68 0.159 1.195 -15.165 445 HD21 ASN 68 HD21 ASN 68 -2.068 0.245 -17.523 446 HD22 ASN 68 HD22 ASN 68 -1.298 -1.223 -18.008 447 H GLU 69 HN GLU 69 0.193 -1.476 -14.186 448 HA GLU 69 HA GLU 69 0.925 -1.279 -11.376 449 HB2 GLU 69 HB2 GLU 69 1.663 -3.185 -13.587 450 HB3 GLU 69 HB1 GLU 69 2.476 -3.210 -12.028 451 HG2 GLU 69 HG2 GLU 69 0.504 -3.820 -10.895 452 HG3 GLU 69 HG1 GLU 69 -0.506 -3.436 -12.286 453 H THR 70 HN THR 70 1.926 -0.005 -14.326 454 HA THR 70 HA THR 70 4.657 0.500 -13.375 455 HB THR 70 HB THR 70 5.012 1.273 -15.779 456 HG1 THR 70 HG1 THR 70 2.932 1.546 -16.509 457 HG21 THR 70 HG21 THR 70 4.192 -1.603 -15.349 458 HG22 THR 70 HG22 THR 70 5.769 -0.918 -14.957 459 HG23 THR 70 HG23 THR 70 5.239 -1.006 -16.637 460 H ASP 71 HN ASP 71 2.128 1.935 -12.543 461 HA ASP 71 HA ASP 71 2.599 4.600 -13.649 462 HB2 ASP 71 HB2 ASP 71 0.341 3.312 -12.193 463 HB3 ASP 71 HB1 ASP 71 0.541 5.053 -12.024 464 H THR 72 HN THR 72 3.332 6.301 -12.500 465 HA THR 72 HA THR 72 4.105 5.809 -9.704 466 HB THR 72 HB THR 72 5.845 7.721 -10.396 467 HG1 THR 72 HG1 THR 72 6.386 7.659 -12.503 468 HG21 THR 72 HG21 THR 72 6.165 4.773 -10.957 469 HG22 THR 72 HG22 THR 72 6.497 5.600 -9.436 470 HG23 THR 72 HG23 THR 72 7.495 5.924 -10.854 471 HA PRO 73 HA PRO 73 1.810 9.334 -8.347 472 HB2 PRO 73 HB2 PRO 73 4.304 10.451 -7.172 473 HB3 PRO 73 HB1 PRO 73 2.751 10.102 -6.399 474 HG2 PRO 73 HG2 PRO 73 4.847 8.527 -5.973 475 HG3 PRO 73 HG1 PRO 73 3.209 7.859 -6.139 476 HD2 PRO 73 HD2 PRO 73 5.452 7.863 -8.105 477 HD3 PRO 73 HD1 PRO 73 4.231 6.615 -7.784 478 H ALA 74 HN ALA 74 5.057 10.177 -9.558 479 HA ALA 74 HA ALA 74 4.276 12.825 -10.316 480 HB1 ALA 74 HB1 ALA 74 6.487 13.022 -11.267 481 HB2 ALA 74 HB2 ALA 74 6.718 11.276 -11.171 482 HB3 ALA 74 HB3 ALA 74 6.593 12.233 -9.695 483 H GLN 75 HN GLN 75 4.276 9.708 -11.876 484 HA GLN 75 HA GLN 75 4.180 10.629 -14.561 485 HB2 GLN 75 HB2 GLN 75 4.748 8.299 -13.934 486 HB3 GLN 75 HB1 GLN 75 3.093 8.054 -13.397 487 HG2 GLN 75 HG2 GLN 75 3.519 7.101 -15.614 488 HG3 GLN 75 HG1 GLN 75 2.273 8.349 -15.638 489 HE21 GLN 75 HE21 GLN 75 2.529 8.805 -17.786 490 HE22 GLN 75 HE22 GLN 75 3.918 9.616 -18.417 491 H LEU 76 HN LEU 76 1.766 9.972 -12.110 492 HA LEU 76 HA LEU 76 -0.394 10.683 -13.937 493 HB2 LEU 76 HB2 LEU 76 -0.502 9.818 -11.049 494 HB3 LEU 76 HB1 LEU 76 -1.878 10.012 -12.117 495 HG LEU 76 HG LEU 76 0.327 7.999 -12.560 496 HD11 LEU 76 HD11 LEU 76 -0.866 7.464 -10.518 497 HD12 LEU 76 HD12 LEU 76 -1.309 6.331 -11.796 498 HD13 LEU 76 HD13 LEU 76 -2.409 7.634 -11.352 499 HD21 LEU 76 HD21 LEU 76 -2.391 8.317 -13.823 500 HD22 LEU 76 HD22 LEU 76 -1.246 7.014 -14.146 501 HD23 LEU 76 HD23 LEU 76 -0.843 8.671 -14.590 502 H GLU 77 HN GLU 77 1.752 12.272 -12.052 503 HA GLU 77 HA GLU 77 1.902 14.314 -11.083 504 HB2 GLU 77 HB2 GLU 77 -0.380 14.812 -12.997 505 HB3 GLU 77 HB1 GLU 77 0.395 16.087 -12.067 506 HG2 GLU 77 HG2 GLU 77 1.866 14.282 -13.972 507 HG3 GLU 77 HG1 GLU 77 1.197 15.849 -14.418 508 H MET 78 HN MET 78 0.836 12.677 -9.361 509 HA MET 78 HA MET 78 -1.752 13.559 -8.430 510 HB2 MET 78 HB2 MET 78 0.233 11.659 -7.180 511 HB3 MET 78 HB1 MET 78 -1.418 11.915 -6.634 512 HG2 MET 78 HG2 MET 78 -2.288 11.002 -8.670 513 HG3 MET 78 HG1 MET 78 -0.668 10.882 -9.353 514 HE1 MET 78 HE1 MET 78 -3.108 9.583 -6.572 515 HE2 MET 78 HE2 MET 78 -1.697 10.084 -5.640 516 HE3 MET 78 HE3 MET 78 -2.113 8.376 -5.759 517 H GLU 79 HN GLU 79 -2.179 14.542 -6.440 518 HA GLU 79 HA GLU 79 0.070 16.132 -5.394 519 HB2 GLU 79 HB2 GLU 79 -2.898 16.708 -5.453 520 HB3 GLU 79 HB1 GLU 79 -1.711 17.717 -4.640 521 HG2 GLU 79 HG2 GLU 79 -1.540 17.078 -7.562 522 HG3 GLU 79 HG1 GLU 79 -2.469 18.443 -6.942 523 H ASP 80 HN ASP 80 -0.950 17.033 -3.077 524 HA ASP 80 HA ASP 80 -0.751 14.733 -1.371 525 HB2 ASP 80 HB2 ASP 80 -0.939 17.692 -0.920 526 HB3 ASP 80 HB1 ASP 80 -1.190 16.586 0.426 527 H GLU 81 HN GLU 81 -2.280 13.926 0.013 528 HA GLU 81 HA GLU 81 -4.310 13.304 0.776 529 HB2 GLU 81 HB2 GLU 81 -5.124 16.107 -0.002 530 HB3 GLU 81 HB1 GLU 81 -6.104 15.004 0.954 531 HG2 GLU 81 HG2 GLU 81 -4.185 14.934 2.598 532 HG3 GLU 81 HG1 GLU 81 -3.490 16.282 1.698 533 H ASP 82 HN ASP 82 -3.571 13.284 -2.225 534 HA ASP 82 HA ASP 82 -6.011 13.370 -3.655 535 HB2 ASP 82 HB2 ASP 82 -3.285 12.836 -4.259 536 HB3 ASP 82 HB1 ASP 82 -4.225 11.464 -4.840 537 H THR 83 HN THR 83 -7.577 11.882 -3.900 538 HA THR 83 HA THR 83 -7.341 9.476 -2.250 539 HB THR 83 HB THR 83 -9.854 10.652 -3.418 540 HG1 THR 83 HG1 THR 83 -8.285 11.750 -1.631 541 HG21 THR 83 HG21 THR 83 -9.939 8.291 -2.624 542 HG22 THR 83 HG22 THR 83 -10.982 9.377 -1.704 543 HG23 THR 83 HG23 THR 83 -9.442 8.851 -1.028 544 H ILE 84 HN ILE 84 -7.087 7.573 -3.121 545 HA ILE 84 HA ILE 84 -7.602 7.168 -5.971 546 HB ILE 84 HB ILE 84 -6.090 5.562 -3.905 547 HG12 ILE 84 HG12 ILE 84 -5.181 6.677 -6.565 548 HG13 ILE 84 HG11 ILE 84 -5.026 7.549 -5.043 549 HG21 ILE 84 HG21 ILE 84 -7.266 3.937 -5.227 550 HG22 ILE 84 HG22 ILE 84 -5.574 3.954 -5.728 551 HG23 ILE 84 HG23 ILE 84 -6.796 4.749 -6.721 552 HD11 ILE 84 HD11 ILE 84 -2.949 6.435 -5.693 553 HD12 ILE 84 HD12 ILE 84 -3.780 4.880 -5.659 554 HD13 ILE 84 HD13 ILE 84 -3.581 5.804 -4.172 555 H ASP 85 HN ASP 85 -9.177 5.810 -6.713 556 HA ASP 85 HA ASP 85 -11.162 4.971 -4.744 557 HB2 ASP 85 HB2 ASP 85 -11.273 5.084 -7.763 558 HB3 ASP 85 HB1 ASP 85 -12.604 4.562 -6.736 559 H VAL 86 HN VAL 86 -11.392 2.942 -4.104 560 HA VAL 86 HA VAL 86 -10.060 0.816 -5.647 561 HB VAL 86 HB VAL 86 -10.815 0.759 -2.719 562 HG11 VAL 86 HG11 VAL 86 -10.688 -1.448 -3.807 563 HG12 VAL 86 HG12 VAL 86 -9.416 -1.225 -2.604 564 HG13 VAL 86 HG13 VAL 86 -9.039 -1.081 -4.321 565 HG21 VAL 86 HG21 VAL 86 -8.088 1.183 -3.932 566 HG22 VAL 86 HG22 VAL 86 -8.478 1.104 -2.214 567 HG23 VAL 86 HG23 VAL 86 -9.077 2.441 -3.195 568 H PHE 87 HN PHE 87 -11.275 -0.784 -6.476 569 HA PHE 87 HA PHE 87 -14.039 -1.081 -5.509 570 HB2 PHE 87 HB2 PHE 87 -13.149 -1.055 -8.401 571 HB3 PHE 87 HB1 PHE 87 -14.774 -1.445 -7.847 572 HD1 PHE 87 HD1 PHE 87 -16.021 0.356 -6.525 573 HD2 PHE 87 HD2 PHE 87 -12.561 1.132 -8.877 574 HE1 PHE 87 HE1 PHE 87 -16.619 2.739 -6.611 575 HE2 PHE 87 HE2 PHE 87 -13.153 3.518 -8.965 576 HZ PHE 87 HZ PHE 87 -15.183 4.323 -7.833 577 H GLN 88 HN GLN 88 -15.009 -3.180 -6.119 578 HA GLN 88 HA GLN 88 -12.994 -5.295 -5.936 579 HB2 GLN 88 HB2 GLN 88 -15.932 -5.169 -5.311 580 HB3 GLN 88 HB1 GLN 88 -15.117 -6.713 -5.502 581 HG2 GLN 88 HG2 GLN 88 -13.549 -6.063 -3.713 582 HG3 GLN 88 HG1 GLN 88 -14.473 -4.579 -3.484 583 HE21 GLN 88 HE21 GLN 88 -15.017 -5.085 -1.391 584 HE22 GLN 88 HE22 GLN 88 -16.150 -6.327 -0.989 585 H GLN 89 HN GLN 89 -13.007 -7.085 -7.312 586 HA GLN 89 HA GLN 89 -13.895 -6.512 -9.996 587 HB2 GLN 89 HB2 GLN 89 -11.750 -7.538 -9.803 588 HB3 GLN 89 HB1 GLN 89 -12.369 -8.797 -8.746 589 HG2 GLN 89 HG2 GLN 89 -11.999 -9.796 -10.847 590 HG3 GLN 89 HG1 GLN 89 -13.744 -9.609 -10.679 591 HE21 GLN 89 HE21 GLN 89 -12.272 -9.952 -13.092 592 HE22 GLN 89 HE22 GLN 89 -12.552 -8.549 -14.064 593 H GLN 90 HN GLN 90 -15.496 -7.533 -11.120 594 HA GLN 90 HA GLN 90 -17.744 -8.457 -9.750 595 HB2 GLN 90 HB2 GLN 90 -16.931 -8.772 -12.641 596 HB3 GLN 90 HB1 GLN 90 -18.500 -9.262 -12.023 597 HG2 GLN 90 HG2 GLN 90 -18.864 -7.158 -12.956 598 HG3 GLN 90 HG1 GLN 90 -18.754 -6.857 -11.224 599 HE21 GLN 90 HE21 GLN 90 -18.187 -4.701 -11.552 600 HE22 GLN 90 HE22 GLN 90 -16.615 -4.245 -12.110 601 H THR 91 HN THR 91 -18.651 -10.495 -9.482 602 HA THR 91 HA THR 91 -16.697 -12.648 -9.333 603 HB THR 91 HB THR 91 -18.887 -13.758 -8.270 604 HG1 THR 91 HG1 THR 91 -20.373 -12.184 -8.422 605 HG21 THR 91 HG21 THR 91 -18.118 -12.911 -6.083 606 HG22 THR 91 HG22 THR 91 -17.123 -11.718 -6.913 607 HG23 THR 91 HG23 THR 91 -16.778 -13.437 -7.103 608 H GLY 92 HN GLY 92 -19.033 -11.571 -11.484 609 HA2 GLY 92 HA2 GLY 92 -19.446 -12.560 -13.580 610 HA3 GLY 92 HA1 GLY 92 -18.924 -14.107 -12.930 611 H1 ASP 195 HN ASP 195 -14.524 4.835 15.102 612 HA ASP 195 HA ASP 195 -15.022 5.490 12.449 613 HB2 ASP 195 HB2 ASP 195 -13.201 7.463 13.849 614 HB3 ASP 195 HB1 ASP 195 -13.339 7.298 12.101 615 H THR 196 HN THR 196 -13.133 5.031 11.052 616 HA THR 196 HA THR 196 -11.143 3.456 12.529 617 HB THR 196 HB THR 196 -11.065 2.431 9.995 618 HG1 THR 196 HG1 THR 196 -13.012 3.598 9.496 619 HG21 THR 196 HG21 THR 196 -12.288 0.495 10.992 620 HG22 THR 196 HG22 THR 196 -12.652 1.499 12.396 621 HG23 THR 196 HG23 THR 196 -10.978 1.099 12.008 622 H ALA 197 HN ALA 197 -9.145 4.045 12.324 623 HA ALA 197 HA ALA 197 -8.370 5.698 10.023 624 HB1 ALA 197 HB1 ALA 197 -6.757 6.836 11.498 625 HB2 ALA 197 HB2 ALA 197 -7.391 5.932 12.874 626 HB3 ALA 197 HB3 ALA 197 -8.421 7.080 12.022 627 H GLY 198 HN GLY 198 -6.849 4.830 8.853 628 HA2 GLY 198 HA2 GLY 198 -5.128 2.767 10.053 629 HA3 GLY 198 HA1 GLY 198 -5.781 2.645 8.422 630 H CYS 199 HN CYS 199 -2.996 3.024 9.797 631 HA CYS 199 HA CYS 199 -2.172 5.154 7.930 632 HB2 CYS 199 HB2 CYS 199 -0.752 4.260 10.449 633 HB3 CYS 199 HB1 CYS 199 -0.265 5.577 9.387 634 HG CYS 199 HG CYS 199 -2.548 7.126 9.951 635 H ILE 200 HN ILE 200 -1.015 4.515 6.296 636 HA ILE 200 HA ILE 200 0.424 1.961 6.491 637 HB ILE 200 HB ILE 200 -1.712 2.632 4.719 638 HG12 ILE 200 HG12 ILE 200 0.162 0.282 4.936 639 HG13 ILE 200 HG11 ILE 200 -1.475 0.425 5.572 640 HG21 ILE 200 HG21 ILE 200 0.963 2.555 3.413 641 HG22 ILE 200 HG22 ILE 200 -0.403 3.630 3.113 642 HG23 ILE 200 HG23 ILE 200 -0.465 1.951 2.575 643 HD11 ILE 200 HD11 ILE 200 -2.393 0.300 3.359 644 HD12 ILE 200 HD12 ILE 200 -1.280 -1.047 3.594 645 HD13 ILE 200 HD13 ILE 200 -0.782 0.351 2.643 646 H VAL 201 HN VAL 201 2.560 2.117 6.047 647 HA VAL 201 HA VAL 201 3.447 4.483 4.542 648 HB VAL 201 HB VAL 201 4.132 4.958 6.760 649 HG11 VAL 201 HG11 VAL 201 3.831 2.783 7.780 650 HG12 VAL 201 HG12 VAL 201 5.445 3.400 8.132 651 HG13 VAL 201 HG13 VAL 201 5.229 2.156 6.904 652 HG21 VAL 201 HG21 VAL 201 6.634 4.776 6.599 653 HG22 VAL 201 HG22 VAL 201 5.839 5.466 5.185 654 HG23 VAL 201 HG23 VAL 201 6.397 3.794 5.153 655 H ILE 202 HN ILE 202 4.692 4.055 2.777 656 HA ILE 202 HA ILE 202 6.059 1.451 2.756 657 HB ILE 202 HB ILE 202 5.730 1.170 0.401 658 HG12 ILE 202 HG12 ILE 202 4.439 3.910 0.429 659 HG13 ILE 202 HG11 ILE 202 5.912 3.445 -0.410 660 HG21 ILE 202 HG21 ILE 202 3.921 0.347 1.737 661 HG22 ILE 202 HG22 ILE 202 3.254 1.024 0.250 662 HG23 ILE 202 HG23 ILE 202 3.148 1.932 1.757 663 HD11 ILE 202 HD11 ILE 202 4.171 3.642 -2.013 664 HD12 ILE 202 HD12 ILE 202 3.097 2.621 -1.061 665 HD13 ILE 202 HD13 ILE 202 4.524 1.924 -1.822 666 H SEP 203 HN SEP 203 8.181 1.613 2.589 667 HA SEP 203 HA SEP 203 9.279 4.077 1.440 668 HB2 SEP 203 HB1 SEP 203 11.224 3.694 3.035 669 HB3 SEP 203 HB2 SEP 203 10.191 2.521 3.852 670 H ASP 204 HN ASP 204 10.643 3.825 -0.211 671 HA ASP 204 HA ASP 204 11.798 1.141 -0.641 672 HB2 ASP 204 HB2 ASP 204 9.991 1.971 -2.285 673 HB3 ASP 204 HB1 ASP 204 11.201 3.124 -2.839 674 H SEP 205 HN SEP 205 13.974 1.100 -0.602 675 HA SEP 205 HA SEP 205 15.413 3.584 -1.228 676 HB2 SEP 205 HB1 SEP 205 16.054 3.449 0.942 677 HB3 SEP 205 HB2 SEP 205 17.181 2.241 0.331 678 H GLU 206 HN GLU 206 16.842 3.485 -2.814 679 HA GLU 206 HA GLU 206 17.209 1.026 -4.249 680 HB2 GLU 206 HB2 GLU 206 16.952 3.356 -5.263 681 HB3 GLU 206 HB1 GLU 206 18.611 3.652 -4.765 682 HG2 GLU 206 HG2 GLU 206 18.685 3.028 -7.039 683 HG3 GLU 206 HG1 GLU 206 19.266 1.637 -6.125 Start of MODEL 4 1 H1 ASP 16 HN ASP 16 10.599 13.042 -1.332 2 HA ASP 16 HA ASP 16 10.106 14.333 1.111 3 HB2 ASP 16 HB2 ASP 16 9.923 16.319 -0.419 4 HB3 ASP 16 HB1 ASP 16 8.557 15.528 -1.197 5 H HIS 17 HN HIS 17 8.085 13.714 2.023 6 HA HIS 17 HA HIS 17 6.993 11.329 0.743 7 HB2 HIS 17 HB2 HIS 17 6.928 12.396 3.548 8 HB3 HIS 17 HB1 HIS 17 5.792 11.158 3.040 9 HD2 HIS 17 HD2 HIS 17 6.907 8.631 2.541 10 HE1 HIS 17 HE1 HIS 17 10.638 9.613 4.280 11 HE2 HIS 17 HE2 HIS 17 9.168 7.718 3.462 12 H ILE 18 HN ILE 18 5.026 11.209 -0.083 13 HA ILE 18 HA ILE 18 3.256 13.544 0.192 14 HB ILE 18 HB ILE 18 3.940 13.233 -2.098 15 HG12 ILE 18 HG12 ILE 18 1.122 12.186 -1.742 16 HG13 ILE 18 HG11 ILE 18 1.596 13.883 -1.731 17 HG21 ILE 18 HG21 ILE 18 3.513 11.166 -3.342 18 HG22 ILE 18 HG22 ILE 18 2.956 10.396 -1.857 19 HG23 ILE 18 HG23 ILE 18 4.635 10.913 -2.005 20 HD11 ILE 18 HD11 ILE 18 2.331 13.697 -4.046 21 HD12 ILE 18 HD12 ILE 18 0.636 13.243 -3.868 22 HD13 ILE 18 HD13 ILE 18 1.869 11.995 -4.061 23 H ASN 19 HN ASN 19 1.261 13.261 1.060 24 HA ASN 19 HA ASN 19 0.631 10.545 1.974 25 HB2 ASN 19 HB2 ASN 19 -0.197 13.268 2.938 26 HB3 ASN 19 HB1 ASN 19 -1.107 11.830 3.394 27 HD21 ASN 19 HD21 ASN 19 1.659 13.720 3.961 28 HD22 ASN 19 HD22 ASN 19 2.379 12.726 5.176 29 H LEU 20 HN LEU 20 -0.904 9.414 1.086 30 HA LEU 20 HA LEU 20 -2.911 10.787 -0.580 31 HB2 LEU 20 HB2 LEU 20 -1.896 7.954 -0.865 32 HB3 LEU 20 HB1 LEU 20 -3.008 8.781 -1.942 33 HG LEU 20 HG LEU 20 -0.134 9.600 -1.500 34 HD11 LEU 20 HD11 LEU 20 0.272 8.674 -3.728 35 HD12 LEU 20 HD12 LEU 20 -1.382 8.064 -3.774 36 HD13 LEU 20 HD13 LEU 20 -0.241 7.430 -2.588 37 HD21 LEU 20 HD21 LEU 20 -2.224 10.507 -3.473 38 HD22 LEU 20 HD22 LEU 20 -0.518 10.954 -3.532 39 HD23 LEU 20 HD23 LEU 20 -1.517 11.460 -2.168 40 H LYS 21 HN LYS 21 -5.065 10.054 -0.474 41 HA LYS 21 HA LYS 21 -5.692 8.580 1.999 42 HB2 LYS 21 HB2 LYS 21 -7.541 10.362 0.400 43 HB3 LYS 21 HB1 LYS 21 -7.820 9.706 2.007 44 HG2 LYS 21 HG2 LYS 21 -6.086 11.111 2.929 45 HG3 LYS 21 HG1 LYS 21 -5.669 11.702 1.319 46 HD2 LYS 21 HD2 LYS 21 -7.933 12.643 1.101 47 HD3 LYS 21 HD1 LYS 21 -8.305 12.095 2.735 48 HE2 LYS 21 HE2 LYS 21 -6.456 13.504 3.585 49 HE3 LYS 21 HE1 LYS 21 -6.191 14.094 1.947 50 HZ1 LYS 21 HZ1 LYS 21 -8.545 14.541 3.677 51 HZ2 LYS 21 HZ2 LYS 21 -8.590 14.821 2.012 52 HZ3 LYS 21 HZ3 LYS 21 -7.518 15.702 2.987 53 H VAL 22 HN VAL 22 -6.441 6.573 1.787 54 HA VAL 22 HA VAL 22 -7.363 5.643 -0.814 55 HB VAL 22 HB VAL 22 -7.032 4.112 1.771 56 HG11 VAL 22 HG11 VAL 22 -8.623 3.058 0.235 57 HG12 VAL 22 HG12 VAL 22 -7.145 2.108 0.385 58 HG13 VAL 22 HG13 VAL 22 -7.413 3.101 -1.046 59 HG21 VAL 22 HG21 VAL 22 -4.917 5.017 0.949 60 HG22 VAL 22 HG22 VAL 22 -5.205 4.275 -0.624 61 HG23 VAL 22 HG23 VAL 22 -4.964 3.264 0.801 62 H ALA 23 HN ALA 23 -9.452 5.346 -1.350 63 HA ALA 23 HA ALA 23 -11.461 5.908 0.713 64 HB1 ALA 23 HB1 ALA 23 -11.816 5.890 -2.279 65 HB2 ALA 23 HB2 ALA 23 -11.434 7.323 -1.322 66 HB3 ALA 23 HB3 ALA 23 -12.961 6.478 -1.073 67 H GLY 24 HN GLY 24 -12.187 4.129 1.672 68 HA2 GLY 24 HA2 GLY 24 -12.437 1.634 0.170 69 HA3 GLY 24 HA1 GLY 24 -12.617 1.827 1.909 70 H GLN 25 HN GLN 25 -14.371 0.457 0.021 71 HA GLN 25 HA GLN 25 -16.686 2.089 -0.402 72 HB2 GLN 25 HB2 GLN 25 -16.401 -0.919 -0.485 73 HB3 GLN 25 HB1 GLN 25 -17.765 -0.002 -1.107 74 HG2 GLN 25 HG2 GLN 25 -14.932 0.116 -2.115 75 HG3 GLN 25 HG1 GLN 25 -16.294 -0.679 -2.903 76 HE21 GLN 25 HE21 GLN 25 -14.540 1.489 -3.820 77 HE22 GLN 25 HE22 GLN 25 -15.593 2.807 -4.210 78 H ASP 26 HN ASP 26 -15.438 0.734 2.361 79 HA ASP 26 HA ASP 26 -18.073 0.329 3.591 80 HB2 ASP 26 HB2 ASP 26 -16.984 -0.885 5.311 81 HB3 ASP 26 HB1 ASP 26 -16.208 -1.398 3.816 82 H GLY 27 HN GLY 27 -15.476 2.539 3.400 83 HA2 GLY 27 HA2 GLY 27 -15.958 4.799 4.187 84 HA3 GLY 27 HA1 GLY 27 -16.660 4.074 5.624 85 H SER 28 HN SER 28 -14.059 2.195 5.139 86 HA SER 28 HA SER 28 -12.559 3.506 7.197 87 HB2 SER 28 HB2 SER 28 -10.913 1.657 6.840 88 HB3 SER 28 HB1 SER 28 -12.555 1.090 7.134 89 HG SER 28 HG SER 28 -12.792 0.720 4.914 90 H VAL 29 HN VAL 29 -10.875 4.857 7.015 91 HA VAL 29 HA VAL 29 -9.942 5.475 4.300 92 HB VAL 29 HB VAL 29 -11.057 7.374 5.288 93 HG11 VAL 29 HG11 VAL 29 -9.109 7.123 7.573 94 HG12 VAL 29 HG12 VAL 29 -10.837 6.780 7.638 95 HG13 VAL 29 HG13 VAL 29 -10.276 8.427 7.350 96 HG21 VAL 29 HG21 VAL 29 -8.070 7.797 5.352 97 HG22 VAL 29 HG22 VAL 29 -9.298 9.044 5.138 98 HG23 VAL 29 HG23 VAL 29 -9.074 7.805 3.903 99 H VAL 30 HN VAL 30 -7.881 5.182 3.812 100 HA VAL 30 HA VAL 30 -6.004 4.680 6.020 101 HB VAL 30 HB VAL 30 -6.053 3.382 3.289 102 HG11 VAL 30 HG11 VAL 30 -4.116 2.085 4.059 103 HG12 VAL 30 HG12 VAL 30 -4.063 3.053 5.532 104 HG13 VAL 30 HG13 VAL 30 -3.751 3.810 3.970 105 HG21 VAL 30 HG21 VAL 30 -6.394 1.313 4.562 106 HG22 VAL 30 HG22 VAL 30 -7.696 2.468 4.834 107 HG23 VAL 30 HG23 VAL 30 -6.446 2.246 6.058 108 H GLN 31 HN GLN 31 -4.330 5.971 6.139 109 HA GLN 31 HA GLN 31 -3.828 7.900 4.009 110 HB2 GLN 31 HB2 GLN 31 -4.102 8.690 6.344 111 HB3 GLN 31 HB1 GLN 31 -2.710 7.730 6.820 112 HG2 GLN 31 HG2 GLN 31 -1.278 9.079 5.384 113 HG3 GLN 31 HG1 GLN 31 -2.676 10.029 4.878 114 HE21 GLN 31 HE21 GLN 31 -0.209 10.826 6.246 115 HE22 GLN 31 HE22 GLN 31 -0.716 11.604 7.708 116 H PHE 32 HN PHE 32 -2.369 7.408 2.537 117 HA PHE 32 HA PHE 32 -0.294 5.439 3.164 118 HB2 PHE 32 HB2 PHE 32 -1.822 6.136 0.800 119 HB3 PHE 32 HB1 PHE 32 -0.095 6.109 0.464 120 HD1 PHE 32 HD1 PHE 32 -2.971 4.120 1.555 121 HD2 PHE 32 HD2 PHE 32 1.144 4.063 0.484 122 HE1 PHE 32 HE1 PHE 32 -3.052 1.669 1.386 123 HE2 PHE 32 HE2 PHE 32 1.071 1.613 0.313 124 HZ PHE 32 HZ PHE 32 -1.026 0.409 0.763 125 H LYS 33 HN LYS 33 1.600 6.157 3.767 126 HA LYS 33 HA LYS 33 2.515 8.802 2.884 127 HB2 LYS 33 HB2 LYS 33 2.563 8.524 5.282 128 HB3 LYS 33 HB1 LYS 33 3.420 6.997 5.140 129 HG2 LYS 33 HG2 LYS 33 5.359 8.197 4.228 130 HG3 LYS 33 HG1 LYS 33 4.499 9.724 4.450 131 HD2 LYS 33 HD2 LYS 33 4.484 9.453 6.819 132 HD3 LYS 33 HD1 LYS 33 5.041 7.786 6.697 133 HE2 LYS 33 HE2 LYS 33 7.112 8.803 5.536 134 HE3 LYS 33 HE1 LYS 33 6.568 10.323 6.239 135 HZ1 LYS 33 HZ1 LYS 33 7.325 7.851 7.686 136 HZ2 LYS 33 HZ2 LYS 33 6.592 9.180 8.430 137 HZ3 LYS 33 HZ3 LYS 33 8.116 9.345 7.722 138 H ILE 34 HN ILE 34 3.329 8.429 0.879 139 HA ILE 34 HA ILE 34 5.560 6.515 0.724 140 HB ILE 34 HB ILE 34 4.818 5.517 -1.174 141 HG12 ILE 34 HG12 ILE 34 3.469 8.116 -1.929 142 HG13 ILE 34 HG11 ILE 34 4.938 7.430 -2.616 143 HG21 ILE 34 HG21 ILE 34 3.007 5.290 0.501 144 HG22 ILE 34 HG22 ILE 34 2.455 5.118 -1.165 145 HG23 ILE 34 HG23 ILE 34 2.160 6.623 -0.290 146 HD11 ILE 34 HD11 ILE 34 3.720 5.686 -3.675 147 HD12 ILE 34 HD12 ILE 34 2.918 7.212 -4.047 148 HD13 ILE 34 HD13 ILE 34 2.236 6.131 -2.832 149 H LYS 35 HN LYS 35 6.995 7.037 -1.253 150 HA LYS 35 HA LYS 35 7.463 9.920 -1.217 151 HB2 LYS 35 HB2 LYS 35 9.149 7.524 -1.693 152 HB3 LYS 35 HB1 LYS 35 9.594 8.993 -2.551 153 HG2 LYS 35 HG2 LYS 35 10.191 10.091 -0.647 154 HG3 LYS 35 HG1 LYS 35 9.054 9.195 0.359 155 HD2 LYS 35 HD2 LYS 35 11.376 7.781 -0.874 156 HD3 LYS 35 HD1 LYS 35 11.616 8.757 0.575 157 HE2 LYS 35 HE2 LYS 35 9.887 7.471 1.730 158 HE3 LYS 35 HE1 LYS 35 9.643 6.496 0.282 159 HZ1 LYS 35 HZ1 LYS 35 11.691 5.472 0.530 160 HZ2 LYS 35 HZ2 LYS 35 11.148 5.597 2.133 161 HZ3 LYS 35 HZ3 LYS 35 12.302 6.682 1.542 162 H ARG 36 HN ARG 36 7.945 11.052 -3.191 163 HA ARG 36 HA ARG 36 5.993 10.574 -5.182 164 HB2 ARG 36 HB2 ARG 36 8.364 12.448 -5.182 165 HB3 ARG 36 HB1 ARG 36 7.067 12.476 -6.369 166 HG2 ARG 36 HG2 ARG 36 5.456 12.998 -4.633 167 HG3 ARG 36 HG1 ARG 36 6.724 12.915 -3.410 168 HD2 ARG 36 HD2 ARG 36 6.285 15.224 -3.959 169 HD3 ARG 36 HD1 ARG 36 7.888 14.779 -4.540 170 HE ARG 36 HE ARG 36 7.045 14.776 -6.765 171 HH11 ARG 36 HH11 ARG 36 4.771 16.003 -4.382 172 HH12 ARG 36 HH12 ARG 36 3.797 16.839 -5.555 173 HH21 ARG 36 HH21 ARG 36 5.760 15.879 -8.304 174 HH22 ARG 36 HH22 ARG 36 4.363 16.761 -7.783 175 H HIS 37 HN HIS 37 9.354 9.674 -4.928 176 HA HIS 37 HA HIS 37 9.459 8.882 -7.729 177 HB2 HIS 37 HB2 HIS 37 11.807 8.332 -7.310 178 HB3 HIS 37 HB1 HIS 37 11.435 9.962 -6.774 179 HD2 HIS 37 HD2 HIS 37 12.450 10.506 -4.366 180 HE1 HIS 37 HE1 HIS 37 12.752 6.528 -2.955 181 HE2 HIS 37 HE2 HIS 37 13.237 8.961 -2.434 182 H THR 38 HN THR 38 7.957 7.536 -5.316 183 HA THR 38 HA THR 38 9.018 4.832 -5.684 184 HB THR 38 HB THR 38 6.971 5.746 -3.665 185 HG1 THR 38 HG1 THR 38 9.488 6.439 -3.808 186 HG21 THR 38 HG21 THR 38 8.037 3.708 -2.472 187 HG22 THR 38 HG22 THR 38 8.572 3.246 -4.086 188 HG23 THR 38 HG23 THR 38 6.850 3.423 -3.743 189 HA PRO 39 HA PRO 39 5.780 3.943 -8.631 190 HB2 PRO 39 HB2 PRO 39 6.401 1.174 -7.725 191 HB3 PRO 39 HB1 PRO 39 6.329 1.832 -9.365 192 HG2 PRO 39 HG2 PRO 39 8.669 1.323 -8.248 193 HG3 PRO 39 HG1 PRO 39 8.435 2.778 -9.241 194 HD2 PRO 39 HD2 PRO 39 8.589 2.525 -6.274 195 HD3 PRO 39 HD1 PRO 39 9.207 3.804 -7.337 196 H LEU 40 HN LEU 40 3.645 3.426 -8.573 197 HA LEU 40 HA LEU 40 2.406 3.276 -5.989 198 HB2 LEU 40 HB2 LEU 40 1.251 3.180 -8.773 199 HB3 LEU 40 HB1 LEU 40 0.292 3.247 -7.307 200 HG LEU 40 HG LEU 40 2.269 5.380 -8.110 201 HD11 LEU 40 HD11 LEU 40 0.486 5.252 -9.760 202 HD12 LEU 40 HD12 LEU 40 0.311 6.699 -8.770 203 HD13 LEU 40 HD13 LEU 40 -0.722 5.301 -8.480 204 HD21 LEU 40 HD21 LEU 40 0.126 5.239 -5.996 205 HD22 LEU 40 HD22 LEU 40 0.973 6.716 -6.456 206 HD23 LEU 40 HD23 LEU 40 1.866 5.369 -5.748 207 H SER 41 HN SER 41 3.801 0.975 -7.848 208 HA SER 41 HA SER 41 1.998 -1.146 -7.919 209 HB2 SER 41 HB2 SER 41 4.804 -1.862 -7.369 210 HB3 SER 41 HB1 SER 41 3.770 -2.309 -8.729 211 HG SER 41 HG SER 41 4.400 -0.578 -9.818 212 H LYS 42 HN LYS 42 4.294 -0.169 -5.374 213 HA LYS 42 HA LYS 42 3.583 -2.345 -3.656 214 HB2 LYS 42 HB2 LYS 42 4.625 -0.114 -2.161 215 HB3 LYS 42 HB1 LYS 42 5.336 -1.694 -2.435 216 HG2 LYS 42 HG2 LYS 42 6.422 -0.946 -4.414 217 HG3 LYS 42 HG1 LYS 42 5.542 0.581 -4.395 218 HD2 LYS 42 HD2 LYS 42 7.850 0.827 -3.573 219 HD3 LYS 42 HD1 LYS 42 6.659 1.238 -2.336 220 HE2 LYS 42 HE2 LYS 42 8.409 -0.074 -1.333 221 HE3 LYS 42 HE1 LYS 42 6.937 -1.037 -1.388 222 HZ1 LYS 42 HZ1 LYS 42 9.419 -1.344 -2.937 223 HZ2 LYS 42 HZ2 LYS 42 7.959 -1.880 -3.611 224 HZ3 LYS 42 HZ3 LYS 42 8.494 -2.518 -2.139 225 H LEU 43 HN LEU 43 2.396 0.874 -4.191 226 HA LEU 43 HA LEU 43 0.981 1.220 -1.779 227 HB2 LEU 43 HB2 LEU 43 1.392 3.099 -3.200 228 HB3 LEU 43 HB1 LEU 43 0.572 2.337 -4.548 229 HG LEU 43 HG LEU 43 -1.173 2.667 -2.239 230 HD11 LEU 43 HD11 LEU 43 0.201 4.634 -1.837 231 HD12 LEU 43 HD12 LEU 43 -1.393 5.101 -2.432 232 HD13 LEU 43 HD13 LEU 43 -0.002 5.135 -3.516 233 HD21 LEU 43 HD21 LEU 43 -1.346 3.677 -5.078 234 HD22 LEU 43 HD22 LEU 43 -2.672 3.544 -3.923 235 HD23 LEU 43 HD23 LEU 43 -1.886 2.088 -4.532 236 H MET 44 HN MET 44 0.114 -0.267 -4.851 237 HA MET 44 HA MET 44 -2.586 -0.804 -4.065 238 HB2 MET 44 HB2 MET 44 -0.922 -1.961 -6.311 239 HB3 MET 44 HB1 MET 44 -2.657 -2.173 -6.125 240 HG2 MET 44 HG2 MET 44 -2.902 0.299 -6.285 241 HG3 MET 44 HG1 MET 44 -1.183 0.392 -6.660 242 HE1 MET 44 HE1 MET 44 -0.991 -1.534 -10.065 243 HE2 MET 44 HE2 MET 44 -0.785 -2.243 -8.465 244 HE3 MET 44 HE3 MET 44 -0.088 -0.665 -8.828 245 H LYS 45 HN LYS 45 0.439 -2.601 -4.123 246 HA LYS 45 HA LYS 45 -0.679 -5.110 -3.423 247 HB2 LYS 45 HB2 LYS 45 2.130 -4.030 -3.304 248 HB3 LYS 45 HB1 LYS 45 1.727 -5.665 -2.799 249 HG2 LYS 45 HG2 LYS 45 0.730 -5.983 -5.104 250 HG3 LYS 45 HG1 LYS 45 1.509 -4.461 -5.542 251 HD2 LYS 45 HD2 LYS 45 2.966 -6.845 -4.403 252 HD3 LYS 45 HD1 LYS 45 2.828 -6.501 -6.128 253 HE2 LYS 45 HE2 LYS 45 3.993 -4.397 -5.836 254 HE3 LYS 45 HE1 LYS 45 4.049 -4.642 -4.090 255 HZ1 LYS 45 HZ1 LYS 45 5.347 -6.404 -6.095 256 HZ2 LYS 45 HZ2 LYS 45 5.451 -6.558 -4.416 257 HZ3 LYS 45 HZ3 LYS 45 6.142 -5.223 -5.189 258 H ALA 46 HN ALA 46 1.074 -2.681 -1.471 259 HA ALA 46 HA ALA 46 1.041 -4.029 0.961 260 HB1 ALA 46 HB1 ALA 46 2.397 -2.060 0.602 261 HB2 ALA 46 HB2 ALA 46 1.350 -1.822 2.003 262 HB3 ALA 46 HB3 ALA 46 0.952 -1.059 0.463 263 H TYR 47 HN TYR 47 -1.348 -1.723 -0.320 264 HA TYR 47 HA TYR 47 -3.015 -1.720 1.938 265 HB2 TYR 47 HB2 TYR 47 -3.256 -0.016 0.245 266 HB3 TYR 47 HB1 TYR 47 -3.656 -1.221 -0.973 267 HD1 TYR 47 HD1 TYR 47 -5.874 -1.715 -1.411 268 HD2 TYR 47 HD2 TYR 47 -4.876 0.157 2.274 269 HE1 TYR 47 HE1 TYR 47 -8.263 -1.448 -0.909 270 HE2 TYR 47 HE2 TYR 47 -7.265 0.427 2.787 271 HH TYR 47 HH TYR 47 -9.689 -1.191 1.172 272 H CYS 48 HN CYS 48 -2.970 -3.754 -0.941 273 HA CYS 48 HA CYS 48 -5.319 -5.198 -0.258 274 HB2 CYS 48 HB2 CYS 48 -4.242 -4.951 -2.565 275 HB3 CYS 48 HB1 CYS 48 -3.125 -6.212 -2.049 276 HG CYS 48 HG CYS 48 -4.946 -8.205 -1.842 277 H GLU 49 HN GLU 49 -1.932 -5.537 0.510 278 HA GLU 49 HA GLU 49 -1.952 -8.221 1.362 279 HB2 GLU 49 HB2 GLU 49 -0.213 -5.854 1.953 280 HB3 GLU 49 HB1 GLU 49 -0.016 -7.329 2.889 281 HG2 GLU 49 HG2 GLU 49 0.316 -6.975 -0.072 282 HG3 GLU 49 HG1 GLU 49 1.552 -7.387 1.115 283 H ARG 50 HN ARG 50 -2.634 -5.197 3.045 284 HA ARG 50 HA ARG 50 -3.046 -6.465 5.577 285 HB2 ARG 50 HB2 ARG 50 -3.812 -3.702 4.620 286 HB3 ARG 50 HB1 ARG 50 -3.907 -4.254 6.291 287 HG2 ARG 50 HG2 ARG 50 -1.405 -4.782 6.036 288 HG3 ARG 50 HG1 ARG 50 -1.480 -3.748 4.606 289 HD2 ARG 50 HD2 ARG 50 -2.337 -1.915 5.999 290 HD3 ARG 50 HD1 ARG 50 -2.232 -2.953 7.421 291 HE ARG 50 HE ARG 50 0.276 -2.884 6.159 292 HH11 ARG 50 HH11 ARG 50 -0.553 0.180 8.621 293 HH12 ARG 50 HH12 ARG 50 -1.851 -0.784 7.991 294 HH21 ARG 50 HH21 ARG 50 1.973 -1.606 6.974 295 HH22 ARG 50 HH22 ARG 50 1.618 -0.288 8.048 296 H GLN 51 HN GLN 51 -4.887 -6.180 2.767 297 HA GLN 51 HA GLN 51 -7.479 -6.300 4.036 298 HB2 GLN 51 HB2 GLN 51 -6.554 -6.650 1.178 299 HB3 GLN 51 HB1 GLN 51 -8.224 -6.911 1.657 300 HG2 GLN 51 HG2 GLN 51 -6.716 -4.339 2.033 301 HG3 GLN 51 HG1 GLN 51 -7.802 -4.680 0.687 302 HE21 GLN 51 HE21 GLN 51 -10.011 -4.752 1.048 303 HE22 GLN 51 HE22 GLN 51 -10.738 -4.149 2.495 304 H GLY 52 HN GLY 52 -5.056 -8.466 2.809 305 HA2 GLY 52 HA2 GLY 52 -4.767 -10.714 3.336 306 HA3 GLY 52 HA1 GLY 52 -6.360 -10.718 4.083 307 H LEU 53 HN LEU 53 -5.863 -9.492 0.869 308 HA LEU 53 HA LEU 53 -6.958 -11.952 -0.294 309 HB2 LEU 53 HB2 LEU 53 -8.055 -9.166 -0.665 310 HB3 LEU 53 HB1 LEU 53 -8.477 -10.518 -1.696 311 HG LEU 53 HG LEU 53 -8.908 -10.758 1.252 312 HD11 LEU 53 HD11 LEU 53 -9.880 -8.607 0.715 313 HD12 LEU 53 HD12 LEU 53 -11.154 -9.798 0.975 314 HD13 LEU 53 HD13 LEU 53 -10.728 -9.308 -0.665 315 HD21 LEU 53 HD21 LEU 53 -9.244 -12.720 -0.120 316 HD22 LEU 53 HD22 LEU 53 -10.310 -11.823 -1.199 317 HD23 LEU 53 HD23 LEU 53 -10.801 -12.139 0.464 318 H SER 54 HN SER 54 -6.945 -11.773 -2.744 319 HA SER 54 HA SER 54 -4.298 -11.106 -3.589 320 HB2 SER 54 HB2 SER 54 -5.347 -13.091 -4.496 321 HB3 SER 54 HB1 SER 54 -6.715 -12.153 -5.087 322 HG SER 54 HG SER 54 -5.275 -12.577 -6.774 323 H MET 55 HN MET 55 -3.623 -9.437 -4.865 324 HA MET 55 HA MET 55 -5.123 -7.038 -4.863 325 HB2 MET 55 HB2 MET 55 -2.585 -7.299 -4.920 326 HB3 MET 55 HB1 MET 55 -2.757 -7.614 -6.641 327 HG2 MET 55 HG2 MET 55 -3.913 -5.402 -6.836 328 HG3 MET 55 HG1 MET 55 -3.464 -5.097 -5.159 329 HE1 MET 55 HE1 MET 55 -1.585 -6.678 -8.306 330 HE2 MET 55 HE2 MET 55 -0.639 -5.266 -8.778 331 HE3 MET 55 HE3 MET 55 -2.400 -5.205 -8.834 332 H ARG 56 HN ARG 56 -5.009 -9.698 -7.003 333 HA ARG 56 HA ARG 56 -5.919 -8.303 -9.342 334 HB2 ARG 56 HB2 ARG 56 -4.592 -10.413 -9.394 335 HB3 ARG 56 HB1 ARG 56 -5.983 -11.261 -8.739 336 HG2 ARG 56 HG2 ARG 56 -7.260 -10.850 -10.704 337 HG3 ARG 56 HG1 ARG 56 -6.036 -9.746 -11.336 338 HD2 ARG 56 HD2 ARG 56 -4.457 -11.575 -11.530 339 HD3 ARG 56 HD1 ARG 56 -5.629 -12.688 -10.829 340 HE ARG 56 HE ARG 56 -7.017 -11.897 -12.897 341 HH11 ARG 56 HH11 ARG 56 -3.584 -12.601 -12.767 342 HH12 ARG 56 HH12 ARG 56 -3.496 -13.086 -14.431 343 HH21 ARG 56 HH21 ARG 56 -6.898 -12.543 -15.086 344 HH22 ARG 56 HH22 ARG 56 -5.378 -13.059 -15.747 345 H GLN 57 HN GLN 57 -7.406 -9.326 -6.492 346 HA GLN 57 HA GLN 57 -9.984 -9.935 -7.626 347 HB2 GLN 57 HB2 GLN 57 -9.219 -10.985 -5.530 348 HB3 GLN 57 HB1 GLN 57 -9.202 -9.408 -4.754 349 HG2 GLN 57 HG2 GLN 57 -11.577 -9.215 -4.939 350 HG3 GLN 57 HG1 GLN 57 -11.664 -10.668 -5.934 351 HE21 GLN 57 HE21 GLN 57 -12.946 -10.002 -3.368 352 HE22 GLN 57 HE22 GLN 57 -12.500 -11.279 -2.289 353 H ILE 58 HN ILE 58 -8.352 -7.122 -6.374 354 HA ILE 58 HA ILE 58 -10.844 -5.588 -6.660 355 HB ILE 58 HB ILE 58 -9.740 -3.860 -5.224 356 HG12 ILE 58 HG12 ILE 58 -7.759 -6.095 -4.725 357 HG13 ILE 58 HG11 ILE 58 -7.412 -4.568 -5.529 358 HG21 ILE 58 HG21 ILE 58 -10.248 -6.597 -4.073 359 HG22 ILE 58 HG22 ILE 58 -11.414 -5.292 -4.290 360 HG23 ILE 58 HG23 ILE 58 -10.112 -5.125 -3.112 361 HD11 ILE 58 HD11 ILE 58 -6.631 -4.629 -3.200 362 HD12 ILE 58 HD12 ILE 58 -8.298 -4.840 -2.665 363 HD13 ILE 58 HD13 ILE 58 -7.816 -3.357 -3.484 364 H ARG 59 HN ARG 59 -10.381 -3.208 -7.180 365 HA ARG 59 HA ARG 59 -8.243 -2.983 -9.187 366 HB2 ARG 59 HB2 ARG 59 -11.138 -2.179 -9.505 367 HB3 ARG 59 HB1 ARG 59 -9.858 -1.637 -10.579 368 HG2 ARG 59 HG2 ARG 59 -10.644 -4.509 -10.128 369 HG3 ARG 59 HG1 ARG 59 -11.134 -3.516 -11.502 370 HD2 ARG 59 HD2 ARG 59 -8.796 -3.255 -12.155 371 HD3 ARG 59 HD1 ARG 59 -8.293 -4.226 -10.771 372 HE ARG 59 HE ARG 59 -9.487 -5.171 -13.241 373 HH11 ARG 59 HH11 ARG 59 -8.596 -5.913 -9.933 374 HH12 ARG 59 HH12 ARG 59 -8.601 -7.633 -10.189 375 HH21 ARG 59 HH21 ARG 59 -9.459 -7.434 -13.573 376 HH22 ARG 59 HH22 ARG 59 -9.090 -8.490 -12.248 377 H PHE 60 HN PHE 60 -7.372 -0.919 -9.434 378 HA PHE 60 HA PHE 60 -8.176 1.013 -7.361 379 HB2 PHE 60 HB2 PHE 60 -5.410 0.541 -8.496 380 HB3 PHE 60 HB1 PHE 60 -5.830 1.739 -7.278 381 HD1 PHE 60 HD1 PHE 60 -5.524 -1.871 -7.944 382 HD2 PHE 60 HD2 PHE 60 -6.035 1.155 -4.999 383 HE1 PHE 60 HE1 PHE 60 -5.098 -3.526 -6.179 384 HE2 PHE 60 HE2 PHE 60 -5.612 -0.499 -3.225 385 HZ PHE 60 HZ PHE 60 -5.143 -2.841 -3.816 386 H ARG 61 HN ARG 61 -8.685 3.024 -8.017 387 HA ARG 61 HA ARG 61 -8.002 3.762 -10.786 388 HB2 ARG 61 HB2 ARG 61 -10.628 4.073 -9.351 389 HB3 ARG 61 HB1 ARG 61 -10.217 5.041 -10.759 390 HG2 ARG 61 HG2 ARG 61 -9.828 2.846 -11.970 391 HG3 ARG 61 HG1 ARG 61 -10.620 2.071 -10.595 392 HD2 ARG 61 HD2 ARG 61 -12.553 3.624 -10.968 393 HD3 ARG 61 HD1 ARG 61 -11.769 4.142 -12.457 394 HE ARG 61 HE ARG 61 -11.955 1.365 -12.534 395 HH11 ARG 61 HH11 ARG 61 -15.361 3.323 -13.353 396 HH12 ARG 61 HH12 ARG 61 -14.102 4.122 -12.470 397 HH21 ARG 61 HH21 ARG 61 -13.605 0.307 -13.697 398 HH22 ARG 61 HH22 ARG 61 -15.082 1.149 -14.049 399 H PHE 62 HN PHE 62 -7.713 5.931 -11.221 400 HA PHE 62 HA PHE 62 -7.740 7.861 -9.049 401 HB2 PHE 62 HB2 PHE 62 -5.497 7.026 -8.804 402 HB3 PHE 62 HB1 PHE 62 -5.233 7.067 -10.544 403 HD1 PHE 62 HD1 PHE 62 -5.918 9.259 -7.623 404 HD2 PHE 62 HD2 PHE 62 -4.264 8.933 -11.537 405 HE1 PHE 62 HE1 PHE 62 -5.004 11.533 -7.430 406 HE2 PHE 62 HE2 PHE 62 -3.350 11.205 -11.342 407 HZ PHE 62 HZ PHE 62 -3.719 12.505 -9.288 408 H ASP 63 HN ASP 63 -8.571 9.691 -9.824 409 HA ASP 63 HA ASP 63 -9.241 11.345 -11.228 410 HB2 ASP 63 HB2 ASP 63 -6.727 11.352 -11.755 411 HB3 ASP 63 HB1 ASP 63 -7.133 10.422 -13.192 412 H GLY 64 HN GLY 64 -10.146 8.500 -11.399 413 HA2 GLY 64 HA2 GLY 64 -12.013 7.646 -12.508 414 HA3 GLY 64 HA1 GLY 64 -11.774 8.833 -13.780 415 H GLN 65 HN GLN 65 -8.799 7.662 -13.458 416 HA GLN 65 HA GLN 65 -9.267 5.622 -15.519 417 HB2 GLN 65 HB2 GLN 65 -6.679 7.054 -14.936 418 HB3 GLN 65 HB1 GLN 65 -7.071 6.094 -16.356 419 HG2 GLN 65 HG2 GLN 65 -8.257 8.752 -15.591 420 HG3 GLN 65 HG1 GLN 65 -7.127 8.435 -16.903 421 HE21 GLN 65 HE21 GLN 65 -9.840 9.582 -16.895 422 HE22 GLN 65 HE22 GLN 65 -10.762 8.612 -17.990 423 HA PRO 66 HA PRO 66 -7.770 2.497 -12.773 424 HB2 PRO 66 HB2 PRO 66 -6.777 0.963 -15.045 425 HB3 PRO 66 HB1 PRO 66 -8.165 0.634 -14.003 426 HG2 PRO 66 HG2 PRO 66 -8.431 1.348 -16.592 427 HG3 PRO 66 HG1 PRO 66 -9.628 1.750 -15.347 428 HD2 PRO 66 HD2 PRO 66 -7.509 3.479 -16.551 429 HD3 PRO 66 HD1 PRO 66 -9.189 3.875 -16.131 430 H ILE 67 HN ILE 67 -5.961 2.317 -11.629 431 HA ILE 67 HA ILE 67 -3.486 3.407 -12.609 432 HB ILE 67 HB ILE 67 -3.980 1.924 -10.022 433 HG12 ILE 67 HG12 ILE 67 -4.071 4.909 -10.503 434 HG13 ILE 67 HG11 ILE 67 -5.499 3.889 -10.350 435 HG21 ILE 67 HG21 ILE 67 -2.024 3.153 -9.215 436 HG22 ILE 67 HG22 ILE 67 -1.831 3.889 -10.808 437 HG23 ILE 67 HG23 ILE 67 -1.623 2.148 -10.611 438 HD11 ILE 67 HD11 ILE 67 -4.827 3.305 -8.076 439 HD12 ILE 67 HD12 ILE 67 -5.020 5.045 -8.278 440 HD13 ILE 67 HD13 ILE 67 -3.405 4.335 -8.235 441 H ASN 68 HN ASN 68 -1.679 2.334 -13.240 442 HA ASN 68 HA ASN 68 -1.927 -0.587 -13.534 443 HB2 ASN 68 HB2 ASN 68 -1.490 1.155 -15.505 444 HB3 ASN 68 HB1 ASN 68 0.178 0.959 -14.981 445 HD21 ASN 68 HD21 ASN 68 -2.623 -0.656 -16.280 446 HD22 ASN 68 HD22 ASN 68 -1.784 -2.042 -16.889 447 H GLU 69 HN GLU 69 0.200 -1.790 -13.396 448 HA GLU 69 HA GLU 69 1.378 -1.261 -10.865 449 HB2 GLU 69 HB2 GLU 69 1.825 -3.303 -13.006 450 HB3 GLU 69 HB1 GLU 69 2.972 -3.161 -11.682 451 HG2 GLU 69 HG2 GLU 69 1.054 -3.450 -10.102 452 HG3 GLU 69 HG1 GLU 69 0.040 -3.805 -11.498 453 H THR 70 HN THR 70 2.078 -0.046 -13.942 454 HA THR 70 HA THR 70 4.863 0.530 -13.197 455 HB THR 70 HB THR 70 4.600 1.426 -15.770 456 HG1 THR 70 HG1 THR 70 2.704 0.599 -16.351 457 HG21 THR 70 HG21 THR 70 5.320 -1.364 -14.872 458 HG22 THR 70 HG22 THR 70 6.406 0.025 -14.914 459 HG23 THR 70 HG23 THR 70 5.759 -0.635 -16.416 460 H ASP 71 HN ASP 71 2.283 1.918 -12.325 461 HA ASP 71 HA ASP 71 2.716 4.588 -13.442 462 HB2 ASP 71 HB2 ASP 71 0.513 3.352 -11.820 463 HB3 ASP 71 HB1 ASP 71 0.657 5.101 -11.951 464 H THR 72 HN THR 72 3.227 6.360 -12.212 465 HA THR 72 HA THR 72 4.036 5.886 -9.423 466 HB THR 72 HB THR 72 5.789 7.794 -10.088 467 HG1 THR 72 HG1 THR 72 5.893 6.250 -12.440 468 HG21 THR 72 HG21 THR 72 7.459 5.964 -10.538 469 HG22 THR 72 HG22 THR 72 6.109 4.828 -10.500 470 HG23 THR 72 HG23 THR 72 6.508 5.773 -9.065 471 HA PRO 73 HA PRO 73 1.693 9.479 -8.304 472 HB2 PRO 73 HB2 PRO 73 4.109 10.556 -6.946 473 HB3 PRO 73 HB1 PRO 73 2.497 10.234 -6.287 474 HG2 PRO 73 HG2 PRO 73 4.528 8.634 -5.697 475 HG3 PRO 73 HG1 PRO 73 2.902 7.986 -5.982 476 HD2 PRO 73 HD2 PRO 73 5.283 7.954 -7.774 477 HD3 PRO 73 HD1 PRO 73 4.035 6.716 -7.527 478 H ALA 74 HN ALA 74 5.044 10.174 -9.250 479 HA ALA 74 HA ALA 74 4.524 12.844 -10.093 480 HB1 ALA 74 HB1 ALA 74 6.790 12.753 -11.025 481 HB2 ALA 74 HB2 ALA 74 6.841 11.020 -10.713 482 HB3 ALA 74 HB3 ALA 74 6.733 12.155 -9.366 483 H GLN 75 HN GLN 75 4.168 9.758 -11.597 484 HA GLN 75 HA GLN 75 4.293 10.736 -14.298 485 HB2 GLN 75 HB2 GLN 75 4.879 8.419 -13.833 486 HB3 GLN 75 HB1 GLN 75 3.277 8.118 -13.176 487 HG2 GLN 75 HG2 GLN 75 3.407 7.204 -15.384 488 HG3 GLN 75 HG1 GLN 75 2.314 8.587 -15.397 489 HE21 GLN 75 HE21 GLN 75 2.548 8.962 -17.578 490 HE22 GLN 75 HE22 GLN 75 4.006 9.578 -18.274 491 H LEU 76 HN LEU 76 1.755 9.972 -11.976 492 HA LEU 76 HA LEU 76 -0.300 10.676 -13.918 493 HB2 LEU 76 HB2 LEU 76 -0.700 9.890 -11.039 494 HB3 LEU 76 HB1 LEU 76 -1.890 9.886 -12.324 495 HG LEU 76 HG LEU 76 0.483 8.034 -12.110 496 HD11 LEU 76 HD11 LEU 76 -1.287 7.573 -10.482 497 HD12 LEU 76 HD12 LEU 76 -1.169 6.309 -11.706 498 HD13 LEU 76 HD13 LEU 76 -2.464 7.503 -11.793 499 HD21 LEU 76 HD21 LEU 76 -1.730 8.163 -14.152 500 HD22 LEU 76 HD22 LEU 76 -0.529 6.878 -14.026 501 HD23 LEU 76 HD23 LEU 76 -0.027 8.521 -14.431 502 H GLU 77 HN GLU 77 1.714 12.454 -12.236 503 HA GLU 77 HA GLU 77 1.765 14.538 -11.336 504 HB2 GLU 77 HB2 GLU 77 -0.831 14.856 -12.858 505 HB3 GLU 77 HB1 GLU 77 0.165 16.167 -12.240 506 HG2 GLU 77 HG2 GLU 77 1.200 14.152 -14.206 507 HG3 GLU 77 HG1 GLU 77 0.366 15.621 -14.706 508 H MET 78 HN MET 78 0.887 12.675 -9.600 509 HA MET 78 HA MET 78 -1.587 13.453 -8.351 510 HB2 MET 78 HB2 MET 78 0.603 11.662 -7.285 511 HB3 MET 78 HB1 MET 78 -1.035 11.793 -6.664 512 HG2 MET 78 HG2 MET 78 -1.857 10.959 -8.859 513 HG3 MET 78 HG1 MET 78 -0.178 10.678 -9.317 514 HE1 MET 78 HE1 MET 78 -2.960 9.924 -6.760 515 HE2 MET 78 HE2 MET 78 -1.621 10.095 -5.627 516 HE3 MET 78 HE3 MET 78 -2.361 8.518 -5.884 517 H GLU 79 HN GLU 79 -1.755 14.239 -6.185 518 HA GLU 79 HA GLU 79 0.616 15.648 -5.203 519 HB2 GLU 79 HB2 GLU 79 -1.797 16.879 -6.276 520 HB3 GLU 79 HB1 GLU 79 -1.439 17.412 -4.638 521 HG2 GLU 79 HG2 GLU 79 0.319 17.617 -7.068 522 HG3 GLU 79 HG1 GLU 79 -0.380 18.931 -6.121 523 H ASP 80 HN ASP 80 -0.053 16.711 -2.984 524 HA ASP 80 HA ASP 80 -0.605 14.533 -1.264 525 HB2 ASP 80 HB2 ASP 80 0.718 16.798 -0.886 526 HB3 ASP 80 HB1 ASP 80 -0.843 17.339 -0.272 527 H GLU 81 HN GLU 81 -2.346 14.088 0.026 528 HA GLU 81 HA GLU 81 -4.482 13.997 0.760 529 HB2 GLU 81 HB2 GLU 81 -4.579 16.767 -0.398 530 HB3 GLU 81 HB1 GLU 81 -6.014 16.001 0.264 531 HG2 GLU 81 HG2 GLU 81 -4.520 15.630 2.359 532 HG3 GLU 81 HG1 GLU 81 -3.547 16.923 1.658 533 H ASP 82 HN ASP 82 -3.545 13.320 -2.082 534 HA ASP 82 HA ASP 82 -5.857 13.525 -3.728 535 HB2 ASP 82 HB2 ASP 82 -3.187 12.526 -4.003 536 HB3 ASP 82 HB1 ASP 82 -4.312 11.281 -4.540 537 H THR 83 HN THR 83 -7.283 11.789 -4.365 538 HA THR 83 HA THR 83 -7.652 9.845 -2.184 539 HB THR 83 HB THR 83 -9.839 10.609 -4.083 540 HG1 THR 83 HG1 THR 83 -8.602 12.390 -2.674 541 HG21 THR 83 HG21 THR 83 -10.170 8.708 -2.557 542 HG22 THR 83 HG22 THR 83 -11.256 10.046 -2.181 543 HG23 THR 83 HG23 THR 83 -9.830 9.763 -1.185 544 H ILE 84 HN ILE 84 -7.390 7.794 -2.605 545 HA ILE 84 HA ILE 84 -7.246 6.890 -5.395 546 HB ILE 84 HB ILE 84 -6.452 5.339 -2.931 547 HG12 ILE 84 HG12 ILE 84 -4.499 6.766 -4.714 548 HG13 ILE 84 HG11 ILE 84 -5.252 7.614 -3.364 549 HG21 ILE 84 HG21 ILE 84 -6.819 3.999 -4.932 550 HG22 ILE 84 HG22 ILE 84 -5.107 4.037 -4.508 551 HG23 ILE 84 HG23 ILE 84 -5.711 5.028 -5.836 552 HD11 ILE 84 HD11 ILE 84 -3.023 6.664 -2.860 553 HD12 ILE 84 HD12 ILE 84 -3.702 5.053 -3.097 554 HD13 ILE 84 HD13 ILE 84 -4.305 6.082 -1.798 555 H ASP 85 HN ASP 85 -8.936 5.843 -6.227 556 HA ASP 85 HA ASP 85 -11.059 4.926 -4.448 557 HB2 ASP 85 HB2 ASP 85 -10.862 5.569 -7.357 558 HB3 ASP 85 HB1 ASP 85 -12.116 4.451 -6.832 559 H VAL 86 HN VAL 86 -11.305 2.874 -3.893 560 HA VAL 86 HA VAL 86 -9.950 0.814 -5.502 561 HB VAL 86 HB VAL 86 -10.757 0.648 -2.590 562 HG11 VAL 86 HG11 VAL 86 -10.771 -1.531 -3.604 563 HG12 VAL 86 HG12 VAL 86 -9.325 -1.385 -2.606 564 HG13 VAL 86 HG13 VAL 86 -9.203 -1.237 -4.358 565 HG21 VAL 86 HG21 VAL 86 -8.010 0.985 -3.790 566 HG22 VAL 86 HG22 VAL 86 -8.386 0.813 -2.076 567 HG23 VAL 86 HG23 VAL 86 -8.922 2.243 -2.957 568 H PHE 87 HN PHE 87 -11.162 -0.658 -6.491 569 HA PHE 87 HA PHE 87 -13.968 -0.988 -5.645 570 HB2 PHE 87 HB2 PHE 87 -12.885 -0.830 -8.468 571 HB3 PHE 87 HB1 PHE 87 -14.526 -1.323 -8.068 572 HD1 PHE 87 HD1 PHE 87 -15.971 0.348 -6.774 573 HD2 PHE 87 HD2 PHE 87 -12.370 1.410 -8.780 574 HE1 PHE 87 HE1 PHE 87 -16.683 2.706 -6.800 575 HE2 PHE 87 HE2 PHE 87 -13.077 3.769 -8.808 576 HZ PHE 87 HZ PHE 87 -15.234 4.417 -7.817 577 H GLN 88 HN GLN 88 -14.846 -3.058 -6.953 578 HA GLN 88 HA GLN 88 -12.858 -5.192 -6.532 579 HB2 GLN 88 HB2 GLN 88 -15.797 -5.099 -5.901 580 HB3 GLN 88 HB1 GLN 88 -14.956 -6.630 -6.100 581 HG2 GLN 88 HG2 GLN 88 -13.464 -4.981 -4.316 582 HG3 GLN 88 HG1 GLN 88 -15.147 -5.023 -3.794 583 HE21 GLN 88 HE21 GLN 88 -14.772 -6.261 -1.994 584 HE22 GLN 88 HE22 GLN 88 -14.307 -7.926 -2.073 585 H GLN 89 HN GLN 89 -13.239 -7.160 -7.814 586 HA GLN 89 HA GLN 89 -14.075 -6.437 -10.517 587 HB2 GLN 89 HB2 GLN 89 -11.849 -7.470 -10.194 588 HB3 GLN 89 HB1 GLN 89 -12.620 -8.900 -9.522 589 HG2 GLN 89 HG2 GLN 89 -11.939 -9.208 -11.853 590 HG3 GLN 89 HG1 GLN 89 -13.680 -9.376 -11.638 591 HE21 GLN 89 HE21 GLN 89 -14.136 -8.936 -13.769 592 HE22 GLN 89 HE22 GLN 89 -13.972 -7.356 -14.454 593 H GLN 90 HN GLN 90 -15.731 -7.396 -11.584 594 HA GLN 90 HA GLN 90 -17.883 -8.445 -10.141 595 HB2 GLN 90 HB2 GLN 90 -17.239 -8.414 -13.086 596 HB3 GLN 90 HB1 GLN 90 -18.738 -9.090 -12.469 597 HG2 GLN 90 HG2 GLN 90 -19.213 -6.891 -13.164 598 HG3 GLN 90 HG1 GLN 90 -19.191 -6.867 -11.402 599 HE21 GLN 90 HE21 GLN 90 -18.821 -4.646 -11.385 600 HE22 GLN 90 HE22 GLN 90 -17.279 -3.970 -11.787 601 H THR 91 HN THR 91 -18.292 -10.396 -9.388 602 HA THR 91 HA THR 91 -16.541 -12.609 -10.031 603 HB THR 91 HB THR 91 -18.325 -13.669 -8.305 604 HG1 THR 91 HG1 THR 91 -19.446 -12.163 -7.317 605 HG21 THR 91 HG21 THR 91 -16.756 -13.103 -6.528 606 HG22 THR 91 HG22 THR 91 -16.061 -11.827 -7.525 607 HG23 THR 91 HG23 THR 91 -15.880 -13.515 -8.003 608 H GLY 92 HN GLY 92 -19.288 -11.380 -11.383 609 HA2 GLY 92 HA2 GLY 92 -19.819 -13.873 -12.770 610 HA3 GLY 92 HA1 GLY 92 -21.158 -13.247 -11.820 611 H1 ASP 195 HN ASP 195 -12.845 5.535 15.715 612 HA ASP 195 HA ASP 195 -14.614 4.793 13.922 613 HB2 ASP 195 HB2 ASP 195 -14.282 7.398 13.249 614 HB3 ASP 195 HB1 ASP 195 -13.104 6.643 12.182 615 H THR 196 HN THR 196 -12.944 4.869 11.427 616 HA THR 196 HA THR 196 -10.799 3.102 12.426 617 HB THR 196 HB THR 196 -12.010 2.927 9.682 618 HG1 THR 196 HG1 THR 196 -13.679 1.849 10.447 619 HG21 THR 196 HG21 THR 196 -11.106 0.749 9.628 620 HG22 THR 196 HG22 THR 196 -10.816 0.743 11.366 621 HG23 THR 196 HG23 THR 196 -9.837 1.765 10.317 622 H ALA 197 HN ALA 197 -8.823 3.761 12.066 623 HA ALA 197 HA ALA 197 -8.239 5.444 9.724 624 HB1 ALA 197 HB1 ALA 197 -6.524 6.597 11.103 625 HB2 ALA 197 HB2 ALA 197 -7.128 5.736 12.517 626 HB3 ALA 197 HB3 ALA 197 -8.172 6.871 11.664 627 H GLY 198 HN GLY 198 -6.667 4.635 8.452 628 HA2 GLY 198 HA2 GLY 198 -4.900 2.574 9.605 629 HA3 GLY 198 HA1 GLY 198 -5.588 2.445 7.988 630 H CYS 199 HN CYS 199 -2.732 2.923 9.334 631 HA CYS 199 HA CYS 199 -1.989 4.996 7.360 632 HB2 CYS 199 HB2 CYS 199 -0.338 4.377 9.796 633 HB3 CYS 199 HB1 CYS 199 -0.331 5.830 8.803 634 HG CYS 199 HG CYS 199 -2.721 6.823 9.753 635 H ILE 200 HN ILE 200 -0.728 4.286 5.736 636 HA ILE 200 HA ILE 200 0.977 1.939 6.238 637 HB ILE 200 HB ILE 200 -0.469 2.430 3.626 638 HG12 ILE 200 HG12 ILE 200 -1.018 0.479 5.872 639 HG13 ILE 200 HG11 ILE 200 -2.083 1.757 5.306 640 HG21 ILE 200 HG21 ILE 200 0.332 0.115 3.138 641 HG22 ILE 200 HG22 ILE 200 1.294 0.195 4.614 642 HG23 ILE 200 HG23 ILE 200 1.624 1.310 3.285 643 HD11 ILE 200 HD11 ILE 200 -2.226 0.541 3.121 644 HD12 ILE 200 HD12 ILE 200 -2.925 -0.312 4.500 645 HD13 ILE 200 HD13 ILE 200 -1.343 -0.784 3.880 646 H VAL 201 HN VAL 201 3.085 2.189 5.681 647 HA VAL 201 HA VAL 201 3.755 4.449 3.910 648 HB VAL 201 HB VAL 201 4.486 5.119 6.081 649 HG11 VAL 201 HG11 VAL 201 4.409 2.909 7.149 650 HG12 VAL 201 HG12 VAL 201 5.893 3.784 7.521 651 HG13 VAL 201 HG13 VAL 201 5.913 2.480 6.335 652 HG21 VAL 201 HG21 VAL 201 7.123 4.171 5.282 653 HG22 VAL 201 HG22 VAL 201 6.507 5.816 5.420 654 HG23 VAL 201 HG23 VAL 201 6.203 4.878 3.955 655 H ILE 202 HN ILE 202 5.038 3.963 2.173 656 HA ILE 202 HA ILE 202 6.275 1.287 2.180 657 HB ILE 202 HB ILE 202 5.852 1.029 -0.176 658 HG12 ILE 202 HG12 ILE 202 4.647 3.807 -0.052 659 HG13 ILE 202 HG11 ILE 202 6.089 3.326 -0.944 660 HG21 ILE 202 HG21 ILE 202 4.079 0.312 1.293 661 HG22 ILE 202 HG22 ILE 202 3.391 0.949 -0.201 662 HG23 ILE 202 HG23 ILE 202 3.364 1.922 1.271 663 HD11 ILE 202 HD11 ILE 202 4.288 3.590 -2.478 664 HD12 ILE 202 HD12 ILE 202 3.247 2.535 -1.519 665 HD13 ILE 202 HD13 ILE 202 4.656 1.871 -2.344 666 H SEP 203 HN SEP 203 8.435 1.252 1.858 667 HA SEP 203 HA SEP 203 9.613 3.655 0.639 668 HB2 SEP 203 HB1 SEP 203 11.580 3.326 2.057 669 HB3 SEP 203 HB2 SEP 203 10.819 1.927 2.807 670 H ASP 204 HN ASP 204 10.613 3.292 -1.207 671 HA ASP 204 HA ASP 204 11.964 0.720 -1.648 672 HB2 ASP 204 HB2 ASP 204 9.696 1.285 -2.949 673 HB3 ASP 204 HB1 ASP 204 10.834 2.117 -4.008 674 H SEP 205 HN SEP 205 14.089 0.944 -2.275 675 HA SEP 205 HA SEP 205 14.853 3.612 -3.268 676 HB2 SEP 205 HB1 SEP 205 15.894 3.405 -1.165 677 HB3 SEP 205 HB2 SEP 205 17.157 2.991 -2.322 678 H GLU 206 HN GLU 206 15.833 3.753 -5.190 679 HA GLU 206 HA GLU 206 16.207 1.316 -6.715 680 HB2 GLU 206 HB2 GLU 206 15.090 3.185 -7.797 681 HB3 GLU 206 HB1 GLU 206 16.464 4.234 -7.475 682 HG2 GLU 206 HG2 GLU 206 17.836 3.040 -9.006 683 HG3 GLU 206 HG1 GLU 206 16.630 1.768 -9.182 Start of MODEL 5 1 H1 ASP 16 HN ASP 16 10.895 13.607 0.011 2 HA ASP 16 HA ASP 16 9.690 14.538 2.317 3 HB2 ASP 16 HB2 ASP 16 8.820 16.010 -0.156 4 HB3 ASP 16 HB1 ASP 16 7.688 15.735 1.164 5 H HIS 17 HN HIS 17 7.258 13.944 2.349 6 HA HIS 17 HA HIS 17 6.871 11.534 0.695 7 HB2 HIS 17 HB2 HIS 17 6.182 12.014 3.595 8 HB3 HIS 17 HB1 HIS 17 5.493 10.692 2.660 9 HD2 HIS 17 HD2 HIS 17 7.343 8.682 1.902 10 HE1 HIS 17 HE1 HIS 17 10.238 9.947 4.713 11 HE2 HIS 17 HE2 HIS 17 9.562 8.084 3.129 12 H ILE 18 HN ILE 18 4.969 11.309 -0.315 13 HA ILE 18 HA ILE 18 3.065 13.517 -0.071 14 HB ILE 18 HB ILE 18 3.796 13.117 -2.337 15 HG12 ILE 18 HG12 ILE 18 1.007 11.975 -2.066 16 HG13 ILE 18 HG11 ILE 18 1.393 13.689 -1.938 17 HG21 ILE 18 HG21 ILE 18 3.399 10.987 -3.501 18 HG22 ILE 18 HG22 ILE 18 2.876 10.271 -1.977 19 HG23 ILE 18 HG23 ILE 18 4.541 10.823 -2.165 20 HD11 ILE 18 HD11 ILE 18 0.537 13.098 -4.145 21 HD12 ILE 18 HD12 ILE 18 1.875 11.968 -4.359 22 HD13 ILE 18 HD13 ILE 18 2.195 13.700 -4.228 23 H ASN 19 HN ASN 19 1.210 13.241 0.978 24 HA ASN 19 HA ASN 19 0.576 10.554 1.942 25 HB2 ASN 19 HB2 ASN 19 -0.344 13.309 2.743 26 HB3 ASN 19 HB1 ASN 19 -1.144 11.854 3.333 27 HD21 ASN 19 HD21 ASN 19 1.751 13.767 3.402 28 HD22 ASN 19 HD22 ASN 19 2.472 12.995 4.770 29 H LEU 20 HN LEU 20 -0.888 9.352 0.998 30 HA LEU 20 HA LEU 20 -2.938 10.677 -0.657 31 HB2 LEU 20 HB2 LEU 20 -1.814 7.890 -0.968 32 HB3 LEU 20 HB1 LEU 20 -2.988 8.664 -2.019 33 HG LEU 20 HG LEU 20 -0.230 9.798 -1.619 34 HD11 LEU 20 HD11 LEU 20 0.421 8.671 -3.698 35 HD12 LEU 20 HD12 LEU 20 -1.110 7.794 -3.692 36 HD13 LEU 20 HD13 LEU 20 0.066 7.528 -2.404 37 HD21 LEU 20 HD21 LEU 20 -2.281 10.095 -3.810 38 HD22 LEU 20 HD22 LEU 20 -0.687 10.850 -3.782 39 HD23 LEU 20 HD23 LEU 20 -1.895 11.295 -2.576 40 H LYS 21 HN LYS 21 -5.075 10.007 -0.459 41 HA LYS 21 HA LYS 21 -5.625 8.433 1.962 42 HB2 LYS 21 HB2 LYS 21 -7.431 10.301 0.427 43 HB3 LYS 21 HB1 LYS 21 -7.842 9.482 1.925 44 HG2 LYS 21 HG2 LYS 21 -6.247 10.765 3.147 45 HG3 LYS 21 HG1 LYS 21 -5.587 11.450 1.662 46 HD2 LYS 21 HD2 LYS 21 -7.730 12.549 1.215 47 HD3 LYS 21 HD1 LYS 21 -8.387 11.866 2.699 48 HE2 LYS 21 HE2 LYS 21 -6.881 13.123 4.043 49 HE3 LYS 21 HE1 LYS 21 -5.969 13.642 2.628 50 HZ1 LYS 21 HZ1 LYS 21 -8.741 14.427 3.339 51 HZ2 LYS 21 HZ2 LYS 21 -7.996 14.819 1.872 52 HZ3 LYS 21 HZ3 LYS 21 -7.366 15.419 3.323 53 H VAL 22 HN VAL 22 -6.471 6.482 1.803 54 HA VAL 22 HA VAL 22 -7.370 5.502 -0.791 55 HB VAL 22 HB VAL 22 -7.094 4.034 1.840 56 HG11 VAL 22 HG11 VAL 22 -8.670 2.966 0.298 57 HG12 VAL 22 HG12 VAL 22 -7.207 2.000 0.497 58 HG13 VAL 22 HG13 VAL 22 -7.434 2.967 -0.961 59 HG21 VAL 22 HG21 VAL 22 -4.948 4.885 1.038 60 HG22 VAL 22 HG22 VAL 22 -5.229 4.123 -0.528 61 HG23 VAL 22 HG23 VAL 22 -5.024 3.129 0.914 62 H ALA 23 HN ALA 23 -9.461 5.538 -1.336 63 HA ALA 23 HA ALA 23 -11.441 6.030 0.756 64 HB1 ALA 23 HB1 ALA 23 -11.617 6.225 -2.245 65 HB2 ALA 23 HB2 ALA 23 -11.523 7.558 -1.092 66 HB3 ALA 23 HB3 ALA 23 -12.958 6.534 -1.141 67 H GLY 24 HN GLY 24 -11.905 4.094 1.679 68 HA2 GLY 24 HA2 GLY 24 -12.357 1.728 0.079 69 HA3 GLY 24 HA1 GLY 24 -12.543 1.864 1.825 70 H GLN 25 HN GLN 25 -14.347 0.656 -0.177 71 HA GLN 25 HA GLN 25 -16.567 2.366 -0.606 72 HB2 GLN 25 HB2 GLN 25 -16.330 -0.641 -0.615 73 HB3 GLN 25 HB1 GLN 25 -17.789 0.221 -1.079 74 HG2 GLN 25 HG2 GLN 25 -15.189 0.827 -2.420 75 HG3 GLN 25 HG1 GLN 25 -16.143 -0.572 -2.905 76 HE21 GLN 25 HE21 GLN 25 -15.919 2.885 -2.918 77 HE22 GLN 25 HE22 GLN 25 -17.265 3.174 -3.965 78 H ASP 26 HN ASP 26 -15.433 0.829 2.177 79 HA ASP 26 HA ASP 26 -18.043 0.630 3.446 80 HB2 ASP 26 HB2 ASP 26 -16.785 -0.211 5.401 81 HB3 ASP 26 HB1 ASP 26 -16.419 -1.119 3.938 82 H GLY 27 HN GLY 27 -15.663 2.992 2.987 83 HA2 GLY 27 HA2 GLY 27 -16.188 5.253 3.596 84 HA3 GLY 27 HA1 GLY 27 -16.978 4.640 5.036 85 H SER 28 HN SER 28 -14.216 2.896 4.925 86 HA SER 28 HA SER 28 -13.019 4.475 6.983 87 HB2 SER 28 HB2 SER 28 -11.183 2.690 6.810 88 HB3 SER 28 HB1 SER 28 -12.792 2.150 7.280 89 HG SER 28 HG SER 28 -12.991 1.071 5.474 90 H VAL 29 HN VAL 29 -10.721 5.150 6.960 91 HA VAL 29 HA VAL 29 -9.853 5.978 4.276 92 HB VAL 29 HB VAL 29 -10.835 7.924 5.352 93 HG11 VAL 29 HG11 VAL 29 -10.584 7.234 7.685 94 HG12 VAL 29 HG12 VAL 29 -9.947 8.858 7.419 95 HG13 VAL 29 HG13 VAL 29 -8.844 7.492 7.573 96 HG21 VAL 29 HG21 VAL 29 -8.934 9.455 5.232 97 HG22 VAL 29 HG22 VAL 29 -8.895 8.278 3.918 98 HG23 VAL 29 HG23 VAL 29 -7.824 8.086 5.306 99 H VAL 30 HN VAL 30 -7.802 5.547 3.805 100 HA VAL 30 HA VAL 30 -5.999 4.816 6.017 101 HB VAL 30 HB VAL 30 -5.857 3.744 3.193 102 HG11 VAL 30 HG11 VAL 30 -4.381 3.012 5.720 103 HG12 VAL 30 HG12 VAL 30 -3.706 3.741 4.262 104 HG13 VAL 30 HG13 VAL 30 -4.319 2.087 4.217 105 HG21 VAL 30 HG21 VAL 30 -6.697 1.633 4.111 106 HG22 VAL 30 HG22 VAL 30 -7.878 2.931 4.290 107 HG23 VAL 30 HG23 VAL 30 -6.924 2.412 5.677 108 H GLN 31 HN GLN 31 -4.344 6.116 6.265 109 HA GLN 31 HA GLN 31 -3.703 8.096 4.230 110 HB2 GLN 31 HB2 GLN 31 -3.924 8.680 6.672 111 HB3 GLN 31 HB1 GLN 31 -2.484 7.720 6.976 112 HG2 GLN 31 HG2 GLN 31 -1.194 9.201 5.518 113 HG3 GLN 31 HG1 GLN 31 -2.637 10.175 5.239 114 HE21 GLN 31 HE21 GLN 31 -0.073 10.922 6.403 115 HE22 GLN 31 HE22 GLN 31 -0.431 11.542 7.984 116 H PHE 32 HN PHE 32 -2.420 7.395 2.654 117 HA PHE 32 HA PHE 32 -0.321 5.456 3.247 118 HB2 PHE 32 HB2 PHE 32 -1.885 6.186 0.896 119 HB3 PHE 32 HB1 PHE 32 -0.164 6.059 0.543 120 HD1 PHE 32 HD1 PHE 32 -3.022 4.227 2.019 121 HD2 PHE 32 HD2 PHE 32 0.847 3.970 0.278 122 HE1 PHE 32 HE1 PHE 32 -3.241 1.781 1.902 123 HE2 PHE 32 HE2 PHE 32 0.640 1.523 0.161 124 HZ PHE 32 HZ PHE 32 -1.410 0.424 0.972 125 H LYS 33 HN LYS 33 1.498 6.278 3.970 126 HA LYS 33 HA LYS 33 2.454 8.867 2.988 127 HB2 LYS 33 HB2 LYS 33 2.470 8.482 5.423 128 HB3 LYS 33 HB1 LYS 33 3.481 7.065 5.202 129 HG2 LYS 33 HG2 LYS 33 5.341 8.364 4.564 130 HG3 LYS 33 HG1 LYS 33 4.353 9.813 4.366 131 HD2 LYS 33 HD2 LYS 33 3.944 9.907 6.749 132 HD3 LYS 33 HD1 LYS 33 4.816 8.391 6.984 133 HE2 LYS 33 HE2 LYS 33 6.885 9.410 6.297 134 HE3 LYS 33 HE1 LYS 33 6.051 10.900 5.852 135 HZ1 LYS 33 HZ1 LYS 33 7.197 11.002 8.024 136 HZ2 LYS 33 HZ2 LYS 33 6.153 9.813 8.614 137 HZ3 LYS 33 HZ3 LYS 33 5.540 11.312 8.133 138 H ILE 34 HN ILE 34 3.318 8.537 1.003 139 HA ILE 34 HA ILE 34 5.507 6.581 0.816 140 HB ILE 34 HB ILE 34 4.546 5.410 -0.840 141 HG12 ILE 34 HG12 ILE 34 3.653 7.993 -2.140 142 HG13 ILE 34 HG11 ILE 34 5.165 7.151 -2.465 143 HG21 ILE 34 HG21 ILE 34 2.154 7.121 -0.191 144 HG22 ILE 34 HG22 ILE 34 2.566 5.544 0.478 145 HG23 ILE 34 HG23 ILE 34 2.090 5.684 -1.213 146 HD11 ILE 34 HD11 ILE 34 2.456 5.941 -2.937 147 HD12 ILE 34 HD12 ILE 34 4.022 5.327 -3.467 148 HD13 ILE 34 HD13 ILE 34 3.375 6.810 -4.165 149 H LYS 35 HN LYS 35 7.024 7.093 -1.012 150 HA LYS 35 HA LYS 35 7.425 9.967 -1.156 151 HB2 LYS 35 HB2 LYS 35 9.116 7.564 -1.671 152 HB3 LYS 35 HB1 LYS 35 9.534 9.065 -2.491 153 HG2 LYS 35 HG2 LYS 35 9.898 10.193 -0.454 154 HG3 LYS 35 HG1 LYS 35 9.133 8.905 0.482 155 HD2 LYS 35 HD2 LYS 35 10.947 7.386 -0.122 156 HD3 LYS 35 HD1 LYS 35 11.707 8.662 -1.075 157 HE2 LYS 35 HE2 LYS 35 12.234 9.922 0.826 158 HE3 LYS 35 HE1 LYS 35 11.099 9.031 1.838 159 HZ1 LYS 35 HZ1 LYS 35 12.506 7.090 1.704 160 HZ2 LYS 35 HZ2 LYS 35 13.404 8.411 2.272 161 HZ3 LYS 35 HZ3 LYS 35 13.581 7.901 0.670 162 H ARG 36 HN ARG 36 8.199 10.855 -3.326 163 HA ARG 36 HA ARG 36 6.096 10.416 -5.204 164 HB2 ARG 36 HB2 ARG 36 8.160 12.387 -4.745 165 HB3 ARG 36 HB1 ARG 36 8.024 11.996 -6.455 166 HG2 ARG 36 HG2 ARG 36 5.764 12.641 -6.526 167 HG3 ARG 36 HG1 ARG 36 5.642 12.690 -4.766 168 HD2 ARG 36 HD2 ARG 36 7.123 14.598 -4.680 169 HD3 ARG 36 HD1 ARG 36 7.389 14.507 -6.422 170 HE ARG 36 HE ARG 36 5.107 15.186 -6.750 171 HH11 ARG 36 HH11 ARG 36 6.272 15.461 -3.455 172 HH12 ARG 36 HH12 ARG 36 5.066 16.623 -2.996 173 HH21 ARG 36 HH21 ARG 36 3.535 16.720 -6.146 174 HH22 ARG 36 HH22 ARG 36 3.512 17.340 -4.528 175 H HIS 37 HN HIS 37 9.235 9.040 -4.872 176 HA HIS 37 HA HIS 37 9.348 8.330 -7.695 177 HB2 HIS 37 HB2 HIS 37 11.570 7.703 -7.385 178 HB3 HIS 37 HB1 HIS 37 11.379 9.047 -6.271 179 HD2 HIS 37 HD2 HIS 37 11.301 8.310 -3.523 180 HE1 HIS 37 HE1 HIS 37 12.926 4.471 -4.261 181 HE2 HIS 37 HE2 HIS 37 12.351 6.174 -2.477 182 H THR 38 HN THR 38 8.313 6.982 -4.732 183 HA THR 38 HA THR 38 8.653 4.238 -5.227 184 HB THR 38 HB THR 38 6.235 4.741 -3.748 185 HG1 THR 38 HG1 THR 38 6.885 6.764 -3.240 186 HG21 THR 38 HG21 THR 38 7.673 2.805 -3.419 187 HG22 THR 38 HG22 THR 38 7.552 3.731 -1.923 188 HG23 THR 38 HG23 THR 38 9.001 3.852 -2.920 189 HA PRO 39 HA PRO 39 5.736 3.795 -8.621 190 HB2 PRO 39 HB2 PRO 39 6.011 0.926 -7.954 191 HB3 PRO 39 HB1 PRO 39 6.300 1.753 -9.490 192 HG2 PRO 39 HG2 PRO 39 8.332 0.852 -8.018 193 HG3 PRO 39 HG1 PRO 39 8.444 2.368 -8.934 194 HD2 PRO 39 HD2 PRO 39 8.039 1.955 -6.007 195 HD3 PRO 39 HD1 PRO 39 8.986 3.194 -6.858 196 H LEU 40 HN LEU 40 3.551 3.521 -8.721 197 HA LEU 40 HA LEU 40 2.123 3.285 -6.274 198 HB2 LEU 40 HB2 LEU 40 1.213 3.420 -9.139 199 HB3 LEU 40 HB1 LEU 40 0.097 3.341 -7.789 200 HG LEU 40 HG LEU 40 2.131 5.530 -8.218 201 HD11 LEU 40 HD11 LEU 40 0.409 5.605 -9.916 202 HD12 LEU 40 HD12 LEU 40 0.195 6.926 -8.767 203 HD13 LEU 40 HD13 LEU 40 -0.847 5.503 -8.681 204 HD21 LEU 40 HD21 LEU 40 -0.052 5.144 -6.175 205 HD22 LEU 40 HD22 LEU 40 0.764 6.681 -6.469 206 HD23 LEU 40 HD23 LEU 40 1.683 5.294 -5.887 207 H SER 41 HN SER 41 3.451 0.929 -8.180 208 HA SER 41 HA SER 41 1.439 -1.056 -8.159 209 HB2 SER 41 HB2 SER 41 4.175 -2.067 -7.965 210 HB3 SER 41 HB1 SER 41 3.002 -2.261 -9.269 211 HG SER 41 HG SER 41 3.588 -0.185 -10.015 212 H LYS 42 HN LYS 42 3.853 0.008 -5.879 213 HA LYS 42 HA LYS 42 3.638 -2.126 -4.033 214 HB2 LYS 42 HB2 LYS 42 5.372 -0.124 -4.250 215 HB3 LYS 42 HB1 LYS 42 4.269 0.660 -3.133 216 HG2 LYS 42 HG2 LYS 42 4.570 -1.151 -1.541 217 HG3 LYS 42 HG1 LYS 42 5.662 -1.965 -2.663 218 HD2 LYS 42 HD2 LYS 42 7.121 0.068 -2.593 219 HD3 LYS 42 HD1 LYS 42 6.075 0.711 -1.326 220 HE2 LYS 42 HE2 LYS 42 7.892 -0.282 -0.197 221 HE3 LYS 42 HE1 LYS 42 6.565 -1.431 -0.046 222 HZ1 LYS 42 HZ1 LYS 42 8.742 -1.608 -2.067 223 HZ2 LYS 42 HZ2 LYS 42 7.510 -2.747 -1.812 224 HZ3 LYS 42 HZ3 LYS 42 8.683 -2.495 -0.621 225 H LEU 43 HN LEU 43 1.966 0.937 -4.451 226 HA LEU 43 HA LEU 43 0.431 0.879 -2.088 227 HB2 LEU 43 HB2 LEU 43 0.850 2.862 -3.558 228 HB3 LEU 43 HB1 LEU 43 -0.284 2.186 -4.707 229 HG LEU 43 HG LEU 43 -1.305 2.550 -1.955 230 HD11 LEU 43 HD11 LEU 43 0.094 4.571 -2.319 231 HD12 LEU 43 HD12 LEU 43 -1.628 4.924 -2.194 232 HD13 LEU 43 HD13 LEU 43 -0.845 4.913 -3.772 233 HD21 LEU 43 HD21 LEU 43 -2.435 3.304 -4.648 234 HD22 LEU 43 HD22 LEU 43 -3.308 3.174 -3.121 235 HD23 LEU 43 HD23 LEU 43 -2.650 1.728 -3.884 236 H MET 44 HN MET 44 0.068 -0.692 -5.147 237 HA MET 44 HA MET 44 -2.703 -1.367 -4.658 238 HB2 MET 44 HB2 MET 44 -0.778 -2.091 -6.863 239 HB3 MET 44 HB1 MET 44 -2.412 -2.734 -6.773 240 HG2 MET 44 HG2 MET 44 -3.242 -0.370 -6.752 241 HG3 MET 44 HG1 MET 44 -1.592 0.139 -7.100 242 HE1 MET 44 HE1 MET 44 -0.932 -1.080 -10.660 243 HE2 MET 44 HE2 MET 44 -0.417 -1.849 -9.160 244 HE3 MET 44 HE3 MET 44 -0.397 -0.090 -9.303 245 H LYS 45 HN LYS 45 0.196 -2.522 -3.526 246 HA LYS 45 HA LYS 45 -0.920 -5.228 -3.185 247 HB2 LYS 45 HB2 LYS 45 1.977 -4.364 -3.291 248 HB3 LYS 45 HB1 LYS 45 1.440 -5.993 -2.895 249 HG2 LYS 45 HG2 LYS 45 0.333 -6.085 -5.133 250 HG3 LYS 45 HG1 LYS 45 1.098 -4.540 -5.509 251 HD2 LYS 45 HD2 LYS 45 2.663 -6.959 -4.638 252 HD3 LYS 45 HD1 LYS 45 2.282 -6.635 -6.327 253 HE2 LYS 45 HE2 LYS 45 3.364 -4.385 -6.027 254 HE3 LYS 45 HE1 LYS 45 3.920 -4.942 -4.451 255 HZ1 LYS 45 HZ1 LYS 45 5.113 -6.733 -5.537 256 HZ2 LYS 45 HZ2 LYS 45 5.608 -5.243 -6.161 257 HZ3 LYS 45 HZ3 LYS 45 4.561 -6.226 -7.053 258 H ALA 46 HN ALA 46 0.695 -2.543 -1.593 259 HA ALA 46 HA ALA 46 1.279 -3.624 0.879 260 HB1 ALA 46 HB1 ALA 46 1.986 -1.402 0.177 261 HB2 ALA 46 HB2 ALA 46 1.186 -1.347 1.749 262 HB3 ALA 46 HB3 ALA 46 0.323 -0.827 0.301 263 H TYR 47 HN TYR 47 -1.713 -1.806 0.125 264 HA TYR 47 HA TYR 47 -2.920 -2.463 2.619 265 HB2 TYR 47 HB2 TYR 47 -3.499 -0.451 1.243 266 HB3 TYR 47 HB1 TYR 47 -4.303 -1.520 0.100 267 HD1 TYR 47 HD1 TYR 47 -6.598 -1.461 0.260 268 HD2 TYR 47 HD2 TYR 47 -4.295 -1.109 3.822 269 HE1 TYR 47 HE1 TYR 47 -8.665 -1.305 1.577 270 HE2 TYR 47 HE2 TYR 47 -6.360 -0.955 5.149 271 HH TYR 47 HH TYR 47 -9.428 -1.692 3.872 272 H CYS 48 HN CYS 48 -2.890 -3.905 -0.532 273 HA CYS 48 HA CYS 48 -5.097 -5.611 -0.326 274 HB2 CYS 48 HB2 CYS 48 -3.641 -5.080 -2.376 275 HB3 CYS 48 HB1 CYS 48 -2.549 -6.321 -1.772 276 HG CYS 48 HG CYS 48 -4.252 -8.427 -2.077 277 H GLU 49 HN GLU 49 -1.715 -6.034 0.607 278 HA GLU 49 HA GLU 49 -1.999 -8.716 1.469 279 HB2 GLU 49 HB2 GLU 49 0.069 -6.588 1.926 280 HB3 GLU 49 HB1 GLU 49 0.175 -8.147 2.735 281 HG2 GLU 49 HG2 GLU 49 0.051 -7.744 -0.243 282 HG3 GLU 49 HG1 GLU 49 1.519 -8.044 0.685 283 H ARG 50 HN ARG 50 -2.494 -5.628 3.024 284 HA ARG 50 HA ARG 50 -2.541 -6.597 5.692 285 HB2 ARG 50 HB2 ARG 50 -3.567 -4.101 4.368 286 HB3 ARG 50 HB1 ARG 50 -3.955 -4.441 6.050 287 HG2 ARG 50 HG2 ARG 50 -1.388 -4.753 6.302 288 HG3 ARG 50 HG1 ARG 50 -1.316 -3.828 4.803 289 HD2 ARG 50 HD2 ARG 50 -2.516 -1.997 5.837 290 HD3 ARG 50 HD1 ARG 50 -2.715 -2.927 7.320 291 HE ARG 50 HE ARG 50 0.030 -2.666 6.616 292 HH11 ARG 50 HH11 ARG 50 -1.627 0.146 8.972 293 HH12 ARG 50 HH12 ARG 50 -2.645 -0.887 8.021 294 HH21 ARG 50 HH21 ARG 50 1.370 -1.322 7.874 295 HH22 ARG 50 HH22 ARG 50 0.664 -0.096 8.882 296 H GLN 51 HN GLN 51 -5.004 -6.133 3.211 297 HA GLN 51 HA GLN 51 -7.146 -7.002 4.931 298 HB2 GLN 51 HB2 GLN 51 -7.028 -6.566 1.942 299 HB3 GLN 51 HB1 GLN 51 -8.490 -6.977 2.826 300 HG2 GLN 51 HG2 GLN 51 -6.844 -4.481 3.180 301 HG3 GLN 51 HG1 GLN 51 -8.395 -4.607 2.350 302 HE21 GLN 51 HE21 GLN 51 -10.267 -4.988 3.576 303 HE22 GLN 51 HE22 GLN 51 -10.322 -4.637 5.268 304 H GLY 52 HN GLY 52 -4.806 -8.477 2.930 305 HA2 GLY 52 HA2 GLY 52 -4.295 -10.717 2.673 306 HA3 GLY 52 HA1 GLY 52 -5.721 -11.117 3.625 307 H LEU 53 HN LEU 53 -5.761 -9.075 0.788 308 HA LEU 53 HA LEU 53 -7.442 -11.084 -0.548 309 HB2 LEU 53 HB2 LEU 53 -7.319 -8.097 -0.970 310 HB3 LEU 53 HB1 LEU 53 -8.376 -9.200 -1.830 311 HG LEU 53 HG LEU 53 -8.476 -8.585 1.124 312 HD11 LEU 53 HD11 LEU 53 -9.274 -6.776 -0.337 313 HD12 LEU 53 HD12 LEU 53 -10.569 -7.498 0.618 314 HD13 LEU 53 HD13 LEU 53 -10.404 -7.906 -1.090 315 HD21 LEU 53 HD21 LEU 53 -9.129 -10.849 0.842 316 HD22 LEU 53 HD22 LEU 53 -10.080 -10.463 -0.594 317 HD23 LEU 53 HD23 LEU 53 -10.608 -9.901 0.993 318 H SER 54 HN SER 54 -7.421 -10.690 -3.019 319 HA SER 54 HA SER 54 -4.649 -10.952 -3.869 320 HB2 SER 54 HB2 SER 54 -5.829 -12.757 -4.725 321 HB3 SER 54 HB1 SER 54 -7.305 -11.822 -4.946 322 HG SER 54 HG SER 54 -6.110 -12.417 -6.908 323 H MET 55 HN MET 55 -3.719 -9.659 -5.434 324 HA MET 55 HA MET 55 -4.708 -7.000 -5.653 325 HB2 MET 55 HB2 MET 55 -2.251 -7.875 -5.751 326 HB3 MET 55 HB1 MET 55 -2.587 -8.117 -7.461 327 HG2 MET 55 HG2 MET 55 -3.427 -5.611 -7.265 328 HG3 MET 55 HG1 MET 55 -2.296 -5.605 -5.915 329 HE1 MET 55 HE1 MET 55 -2.240 -7.425 -9.429 330 HE2 MET 55 HE2 MET 55 -1.225 -6.307 -10.335 331 HE3 MET 55 HE3 MET 55 -2.799 -5.782 -9.738 332 H ARG 56 HN ARG 56 -5.312 -9.859 -7.318 333 HA ARG 56 HA ARG 56 -6.161 -8.529 -9.775 334 HB2 ARG 56 HB2 ARG 56 -4.900 -10.638 -9.936 335 HB3 ARG 56 HB1 ARG 56 -6.147 -11.456 -9.008 336 HG2 ARG 56 HG2 ARG 56 -7.760 -10.883 -10.817 337 HG3 ARG 56 HG1 ARG 56 -6.397 -10.277 -11.760 338 HD2 ARG 56 HD2 ARG 56 -5.425 -12.404 -11.919 339 HD3 ARG 56 HD1 ARG 56 -6.437 -13.056 -10.631 340 HE ARG 56 HE ARG 56 -8.309 -12.508 -12.354 341 HH11 ARG 56 HH11 ARG 56 -5.139 -13.826 -13.026 342 HH12 ARG 56 HH12 ARG 56 -5.655 -14.679 -14.447 343 HH21 ARG 56 HH21 ARG 56 -8.998 -13.617 -14.230 344 HH22 ARG 56 HH22 ARG 56 -7.852 -14.564 -15.125 345 H GLN 57 HN GLN 57 -7.358 -9.417 -6.775 346 HA GLN 57 HA GLN 57 -10.071 -9.969 -7.590 347 HB2 GLN 57 HB2 GLN 57 -9.152 -11.068 -5.617 348 HB3 GLN 57 HB1 GLN 57 -8.836 -9.510 -4.869 349 HG2 GLN 57 HG2 GLN 57 -11.315 -9.089 -4.972 350 HG3 GLN 57 HG1 GLN 57 -11.495 -10.781 -5.430 351 HE21 GLN 57 HE21 GLN 57 -12.449 -9.347 -3.074 352 HE22 GLN 57 HE22 GLN 57 -11.804 -10.198 -1.708 353 H ILE 58 HN ILE 58 -8.196 -7.260 -6.428 354 HA ILE 58 HA ILE 58 -10.614 -5.588 -6.455 355 HB ILE 58 HB ILE 58 -9.171 -3.934 -5.169 356 HG12 ILE 58 HG12 ILE 58 -7.452 -6.407 -4.846 357 HG13 ILE 58 HG11 ILE 58 -6.989 -4.927 -5.682 358 HG21 ILE 58 HG21 ILE 58 -9.820 -6.586 -3.886 359 HG22 ILE 58 HG22 ILE 58 -10.939 -5.245 -4.126 360 HG23 ILE 58 HG23 ILE 58 -9.568 -5.063 -3.031 361 HD11 ILE 58 HD11 ILE 58 -7.595 -5.171 -2.743 362 HD12 ILE 58 HD12 ILE 58 -7.103 -3.701 -3.584 363 HD13 ILE 58 HD13 ILE 58 -5.991 -5.065 -3.468 364 H ARG 59 HN ARG 59 -10.181 -3.278 -7.072 365 HA ARG 59 HA ARG 59 -8.174 -3.037 -9.208 366 HB2 ARG 59 HB2 ARG 59 -11.116 -2.386 -9.404 367 HB3 ARG 59 HB1 ARG 59 -9.922 -1.712 -10.504 368 HG2 ARG 59 HG2 ARG 59 -10.539 -4.635 -10.131 369 HG3 ARG 59 HG1 ARG 59 -11.039 -3.629 -11.492 370 HD2 ARG 59 HD2 ARG 59 -8.656 -3.237 -12.024 371 HD3 ARG 59 HD1 ARG 59 -8.208 -4.325 -10.711 372 HE ARG 59 HE ARG 59 -9.219 -5.056 -13.309 373 HH11 ARG 59 HH11 ARG 59 -8.755 -6.087 -9.994 374 HH12 ARG 59 HH12 ARG 59 -8.818 -7.781 -10.381 375 HH21 ARG 59 HH21 ARG 59 -9.293 -7.278 -13.818 376 HH22 ARG 59 HH22 ARG 59 -9.117 -8.451 -12.553 377 H PHE 60 HN PHE 60 -7.295 -1.011 -9.443 378 HA PHE 60 HA PHE 60 -8.122 0.964 -7.422 379 HB2 PHE 60 HB2 PHE 60 -5.386 0.246 -8.463 380 HB3 PHE 60 HB1 PHE 60 -5.696 1.757 -7.619 381 HD1 PHE 60 HD1 PHE 60 -5.727 -1.917 -7.273 382 HD2 PHE 60 HD2 PHE 60 -5.877 1.833 -5.273 383 HE1 PHE 60 HE1 PHE 60 -5.423 -3.058 -5.116 384 HE2 PHE 60 HE2 PHE 60 -5.577 0.698 -3.111 385 HZ PHE 60 HZ PHE 60 -5.344 -1.750 -3.031 386 H ARG 61 HN ARG 61 -8.821 2.843 -8.169 387 HA ARG 61 HA ARG 61 -8.041 3.624 -10.897 388 HB2 ARG 61 HB2 ARG 61 -10.731 3.945 -9.562 389 HB3 ARG 61 HB1 ARG 61 -10.283 4.747 -11.062 390 HG2 ARG 61 HG2 ARG 61 -9.832 2.420 -11.992 391 HG3 ARG 61 HG1 ARG 61 -10.663 1.806 -10.561 392 HD2 ARG 61 HD2 ARG 61 -12.592 3.295 -11.189 393 HD3 ARG 61 HD1 ARG 61 -11.764 3.599 -12.712 394 HE ARG 61 HE ARG 61 -11.850 0.929 -12.681 395 HH11 ARG 61 HH11 ARG 61 -15.614 2.345 -12.635 396 HH12 ARG 61 HH12 ARG 61 -14.312 3.350 -12.076 397 HH21 ARG 61 HH21 ARG 61 -13.570 -0.387 -13.433 398 HH22 ARG 61 HH22 ARG 61 -15.194 0.225 -13.406 399 H PHE 62 HN PHE 62 -7.668 5.793 -11.281 400 HA PHE 62 HA PHE 62 -7.785 7.598 -8.981 401 HB2 PHE 62 HB2 PHE 62 -5.448 6.490 -9.390 402 HB3 PHE 62 HB1 PHE 62 -5.356 7.612 -10.744 403 HD1 PHE 62 HD1 PHE 62 -5.230 7.239 -7.146 404 HD2 PHE 62 HD2 PHE 62 -5.356 10.040 -10.343 405 HE1 PHE 62 HE1 PHE 62 -4.490 9.014 -5.612 406 HE2 PHE 62 HE2 PHE 62 -4.613 11.820 -8.819 407 HZ PHE 62 HZ PHE 62 -4.180 11.306 -6.452 408 H ASP 63 HN ASP 63 -9.031 9.186 -9.616 409 HA ASP 63 HA ASP 63 -9.978 10.851 -10.823 410 HB2 ASP 63 HB2 ASP 63 -7.394 11.330 -11.058 411 HB3 ASP 63 HB1 ASP 63 -7.683 10.887 -12.739 412 H GLY 64 HN GLY 64 -10.717 8.251 -11.475 413 HA2 GLY 64 HA2 GLY 64 -12.307 7.535 -13.050 414 HA3 GLY 64 HA1 GLY 64 -11.689 8.724 -14.184 415 H GLN 65 HN GLN 65 -8.951 7.977 -14.094 416 HA GLN 65 HA GLN 65 -9.129 5.598 -15.752 417 HB2 GLN 65 HB2 GLN 65 -6.879 7.547 -15.256 418 HB3 GLN 65 HB1 GLN 65 -6.739 6.140 -16.302 419 HG2 GLN 65 HG2 GLN 65 -8.614 8.467 -16.670 420 HG3 GLN 65 HG1 GLN 65 -7.159 8.127 -17.605 421 HE21 GLN 65 HE21 GLN 65 -9.968 8.397 -18.433 422 HE22 GLN 65 HE22 GLN 65 -10.354 6.929 -19.260 423 HA PRO 66 HA PRO 66 -7.706 2.850 -12.566 424 HB2 PRO 66 HB2 PRO 66 -6.778 1.168 -14.800 425 HB3 PRO 66 HB1 PRO 66 -7.962 0.804 -13.540 426 HG2 PRO 66 HG2 PRO 66 -8.723 1.230 -16.059 427 HG3 PRO 66 HG1 PRO 66 -9.704 1.778 -14.682 428 HD2 PRO 66 HD2 PRO 66 -7.886 3.360 -16.456 429 HD3 PRO 66 HD1 PRO 66 -9.478 3.787 -15.794 430 H ILE 67 HN ILE 67 -5.768 2.184 -11.637 431 HA ILE 67 HA ILE 67 -3.408 3.530 -12.682 432 HB ILE 67 HB ILE 67 -3.685 1.951 -10.119 433 HG12 ILE 67 HG12 ILE 67 -3.924 4.941 -10.532 434 HG13 ILE 67 HG11 ILE 67 -5.282 3.856 -10.243 435 HG21 ILE 67 HG21 ILE 67 -1.712 3.233 -9.415 436 HG22 ILE 67 HG22 ILE 67 -1.638 3.981 -11.011 437 HG23 ILE 67 HG23 ILE 67 -1.383 2.245 -10.838 438 HD11 ILE 67 HD11 ILE 67 -4.670 5.007 -8.215 439 HD12 ILE 67 HD12 ILE 67 -3.014 4.421 -8.347 440 HD13 ILE 67 HD13 ILE 67 -4.331 3.285 -8.053 441 H ASN 68 HN ASN 68 -1.794 2.549 -13.716 442 HA ASN 68 HA ASN 68 -1.918 -0.335 -14.103 443 HB2 ASN 68 HB2 ASN 68 -0.368 1.881 -15.427 444 HB3 ASN 68 HB1 ASN 68 0.066 0.194 -15.679 445 HD21 ASN 68 HD21 ASN 68 -2.200 2.699 -16.376 446 HD22 ASN 68 HD22 ASN 68 -3.138 1.817 -17.531 447 H GLU 69 HN GLU 69 0.142 -1.589 -13.987 448 HA GLU 69 HA GLU 69 1.403 -1.081 -11.435 449 HB2 GLU 69 HB2 GLU 69 1.717 -3.323 -13.429 450 HB3 GLU 69 HB1 GLU 69 2.523 -3.270 -11.868 451 HG2 GLU 69 HG2 GLU 69 0.567 -3.620 -10.698 452 HG3 GLU 69 HG1 GLU 69 -0.450 -3.039 -12.018 453 H THR 70 HN THR 70 2.033 0.635 -13.864 454 HA THR 70 HA THR 70 4.945 0.469 -13.581 455 HB THR 70 HB THR 70 4.869 1.182 -16.153 456 HG1 THR 70 HG1 THR 70 2.860 0.927 -16.827 457 HG21 THR 70 HG21 THR 70 4.635 -1.700 -15.273 458 HG22 THR 70 HG22 THR 70 6.099 -0.728 -15.141 459 HG23 THR 70 HG23 THR 70 5.427 -1.095 -16.729 460 H ASP 71 HN ASP 71 2.879 2.285 -12.492 461 HA ASP 71 HA ASP 71 3.888 4.795 -13.662 462 HB2 ASP 71 HB2 ASP 71 1.084 4.077 -12.862 463 HB3 ASP 71 HB1 ASP 71 1.613 5.756 -12.870 464 H THR 72 HN THR 72 4.121 6.555 -12.258 465 HA THR 72 HA THR 72 4.279 5.858 -9.397 466 HB THR 72 HB THR 72 6.092 7.701 -9.390 467 HG1 THR 72 HG1 THR 72 7.179 7.751 -11.522 468 HG21 THR 72 HG21 THR 72 6.482 5.006 -10.664 469 HG22 THR 72 HG22 THR 72 6.783 5.480 -8.992 470 HG23 THR 72 HG23 THR 72 7.831 6.077 -10.279 471 HA PRO 73 HA PRO 73 1.715 9.319 -8.324 472 HB2 PRO 73 HB2 PRO 73 3.930 10.476 -6.708 473 HB3 PRO 73 HB1 PRO 73 2.285 10.045 -6.217 474 HG2 PRO 73 HG2 PRO 73 4.335 8.539 -5.486 475 HG3 PRO 73 HG1 PRO 73 2.786 7.809 -5.963 476 HD2 PRO 73 HD2 PRO 73 5.330 8.012 -7.510 477 HD3 PRO 73 HD1 PRO 73 4.164 6.679 -7.427 478 H ALA 74 HN ALA 74 5.076 10.182 -9.031 479 HA ALA 74 HA ALA 74 4.499 12.873 -9.784 480 HB1 ALA 74 HB1 ALA 74 6.812 12.864 -10.669 481 HB2 ALA 74 HB2 ALA 74 6.901 11.134 -10.343 482 HB3 ALA 74 HB3 ALA 74 6.712 12.273 -9.010 483 H GLN 75 HN GLN 75 4.713 9.808 -11.459 484 HA GLN 75 HA GLN 75 4.788 10.768 -14.103 485 HB2 GLN 75 HB2 GLN 75 5.328 8.456 -13.502 486 HB3 GLN 75 HB1 GLN 75 3.664 8.183 -13.009 487 HG2 GLN 75 HG2 GLN 75 3.983 7.200 -15.151 488 HG3 GLN 75 HG1 GLN 75 2.956 8.619 -15.343 489 HE21 GLN 75 HE21 GLN 75 3.472 8.773 -17.521 490 HE22 GLN 75 HE22 GLN 75 5.005 9.368 -18.057 491 H LEU 76 HN LEU 76 2.143 10.116 -11.886 492 HA LEU 76 HA LEU 76 0.172 10.768 -13.938 493 HB2 LEU 76 HB2 LEU 76 -0.155 9.887 -11.071 494 HB3 LEU 76 HB1 LEU 76 -1.479 10.190 -12.178 495 HG LEU 76 HG LEU 76 0.605 8.020 -12.431 496 HD11 LEU 76 HD11 LEU 76 -1.060 7.540 -10.741 497 HD12 LEU 76 HD12 LEU 76 -1.331 6.523 -12.153 498 HD13 LEU 76 HD13 LEU 76 -2.356 7.928 -11.871 499 HD21 LEU 76 HD21 LEU 76 -1.659 8.782 -14.266 500 HD22 LEU 76 HD22 LEU 76 -0.757 7.271 -14.363 501 HD23 LEU 76 HD23 LEU 76 0.066 8.808 -14.631 502 H GLU 77 HN GLU 77 2.093 12.496 -11.970 503 HA GLU 77 HA GLU 77 2.089 14.588 -11.091 504 HB2 GLU 77 HB2 GLU 77 -0.104 14.875 -13.145 505 HB3 GLU 77 HB1 GLU 77 0.513 16.230 -12.210 506 HG2 GLU 77 HG2 GLU 77 2.174 14.490 -14.021 507 HG3 GLU 77 HG1 GLU 77 1.513 16.067 -14.454 508 H MET 78 HN MET 78 0.979 12.914 -9.387 509 HA MET 78 HA MET 78 -1.672 13.758 -8.602 510 HB2 MET 78 HB2 MET 78 0.314 11.863 -7.334 511 HB3 MET 78 HB1 MET 78 -1.307 12.151 -6.715 512 HG2 MET 78 HG2 MET 78 -2.313 10.999 -8.403 513 HG3 MET 78 HG1 MET 78 -1.039 11.361 -9.561 514 HE1 MET 78 HE1 MET 78 -0.713 9.791 -5.914 515 HE2 MET 78 HE2 MET 78 -0.834 8.081 -6.324 516 HE3 MET 78 HE3 MET 78 -2.206 9.153 -6.595 517 H GLU 79 HN GLU 79 -2.173 14.607 -6.487 518 HA GLU 79 HA GLU 79 -0.060 16.395 -5.481 519 HB2 GLU 79 HB2 GLU 79 -3.058 16.698 -5.582 520 HB3 GLU 79 HB1 GLU 79 -2.042 17.733 -4.590 521 HG2 GLU 79 HG2 GLU 79 -1.783 17.427 -7.573 522 HG3 GLU 79 HG1 GLU 79 -2.650 18.730 -6.764 523 H ASP 80 HN ASP 80 -0.553 17.068 -3.106 524 HA ASP 80 HA ASP 80 -0.514 14.649 -1.550 525 HB2 ASP 80 HB2 ASP 80 0.888 16.748 -1.127 526 HB3 ASP 80 HB1 ASP 80 -0.576 17.456 -0.452 527 H GLU 81 HN GLU 81 -1.948 14.007 0.007 528 HA GLU 81 HA GLU 81 -3.939 13.597 0.968 529 HB2 GLU 81 HB2 GLU 81 -4.038 16.574 0.709 530 HB3 GLU 81 HB1 GLU 81 -5.479 15.708 1.228 531 HG2 GLU 81 HG2 GLU 81 -3.905 14.597 2.947 532 HG3 GLU 81 HG1 GLU 81 -2.831 15.945 2.586 533 H ASP 82 HN ASP 82 -3.685 13.092 -1.763 534 HA ASP 82 HA ASP 82 -6.188 13.886 -3.002 535 HB2 ASP 82 HB2 ASP 82 -3.776 13.399 -4.100 536 HB3 ASP 82 HB1 ASP 82 -4.496 11.800 -4.269 537 H THR 83 HN THR 83 -7.159 11.744 -4.292 538 HA THR 83 HA THR 83 -7.615 9.770 -2.143 539 HB THR 83 HB THR 83 -9.773 10.681 -4.041 540 HG1 THR 83 HG1 THR 83 -8.865 12.322 -2.468 541 HG21 THR 83 HG21 THR 83 -10.011 8.463 -2.929 542 HG22 THR 83 HG22 THR 83 -11.272 9.617 -2.489 543 HG23 THR 83 HG23 THR 83 -9.944 9.289 -1.372 544 H ILE 84 HN ILE 84 -7.697 7.680 -2.668 545 HA ILE 84 HA ILE 84 -7.395 6.936 -5.511 546 HB ILE 84 HB ILE 84 -6.484 5.288 -3.151 547 HG12 ILE 84 HG12 ILE 84 -4.585 6.872 -4.847 548 HG13 ILE 84 HG11 ILE 84 -5.384 7.647 -3.482 549 HG21 ILE 84 HG21 ILE 84 -6.826 4.067 -5.224 550 HG22 ILE 84 HG22 ILE 84 -5.104 4.162 -4.846 551 HG23 ILE 84 HG23 ILE 84 -5.795 5.210 -6.087 552 HD11 ILE 84 HD11 ILE 84 -4.452 5.980 -1.980 553 HD12 ILE 84 HD12 ILE 84 -3.184 6.808 -2.883 554 HD13 ILE 84 HD13 ILE 84 -3.674 5.181 -3.343 555 H ASP 85 HN ASP 85 -8.926 5.605 -6.340 556 HA ASP 85 HA ASP 85 -11.055 4.723 -4.539 557 HB2 ASP 85 HB2 ASP 85 -10.846 5.182 -7.484 558 HB3 ASP 85 HB1 ASP 85 -12.066 4.060 -6.886 559 H VAL 86 HN VAL 86 -11.358 2.689 -3.949 560 HA VAL 86 HA VAL 86 -9.839 0.582 -5.345 561 HB VAL 86 HB VAL 86 -10.705 0.525 -2.450 562 HG11 VAL 86 HG11 VAL 86 -10.423 -1.669 -3.420 563 HG12 VAL 86 HG12 VAL 86 -9.102 -1.337 -2.300 564 HG13 VAL 86 HG13 VAL 86 -8.834 -1.223 -4.039 565 HG21 VAL 86 HG21 VAL 86 -7.989 1.178 -3.594 566 HG22 VAL 86 HG22 VAL 86 -8.356 0.946 -1.881 567 HG23 VAL 86 HG23 VAL 86 -9.069 2.298 -2.762 568 H PHE 87 HN PHE 87 -11.152 -0.615 -6.532 569 HA PHE 87 HA PHE 87 -13.872 -1.157 -5.515 570 HB2 PHE 87 HB2 PHE 87 -12.894 -1.113 -8.379 571 HB3 PHE 87 HB1 PHE 87 -14.534 -1.495 -7.866 572 HD1 PHE 87 HD1 PHE 87 -15.713 0.347 -6.432 573 HD2 PHE 87 HD2 PHE 87 -12.380 1.049 -8.981 574 HE1 PHE 87 HE1 PHE 87 -16.303 2.731 -6.545 575 HE2 PHE 87 HE2 PHE 87 -12.965 3.434 -9.097 576 HZ PHE 87 HZ PHE 87 -14.929 4.280 -7.876 577 H GLN 88 HN GLN 88 -14.746 -3.279 -6.570 578 HA GLN 88 HA GLN 88 -12.644 -5.329 -6.337 579 HB2 GLN 88 HB2 GLN 88 -15.507 -5.364 -5.396 580 HB3 GLN 88 HB1 GLN 88 -14.543 -6.828 -5.547 581 HG2 GLN 88 HG2 GLN 88 -13.085 -4.858 -4.072 582 HG3 GLN 88 HG1 GLN 88 -14.689 -5.064 -3.372 583 HE21 GLN 88 HE21 GLN 88 -13.812 -6.003 -1.532 584 HE22 GLN 88 HE22 GLN 88 -13.219 -7.627 -1.527 585 H GLN 89 HN GLN 89 -12.682 -7.047 -7.759 586 HA GLN 89 HA GLN 89 -13.871 -6.533 -10.308 587 HB2 GLN 89 HB2 GLN 89 -11.643 -7.689 -9.862 588 HB3 GLN 89 HB1 GLN 89 -12.578 -9.109 -9.416 589 HG2 GLN 89 HG2 GLN 89 -11.758 -9.206 -11.724 590 HG3 GLN 89 HG1 GLN 89 -13.518 -9.243 -11.635 591 HE21 GLN 89 HE21 GLN 89 -13.678 -8.535 -13.783 592 HE22 GLN 89 HE22 GLN 89 -13.364 -6.893 -14.218 593 H GLN 90 HN GLN 90 -15.527 -7.595 -11.331 594 HA GLN 90 HA GLN 90 -17.691 -8.446 -9.776 595 HB2 GLN 90 HB2 GLN 90 -17.108 -8.758 -12.714 596 HB3 GLN 90 HB1 GLN 90 -18.627 -9.261 -11.989 597 HG2 GLN 90 HG2 GLN 90 -19.020 -7.137 -12.898 598 HG3 GLN 90 HG1 GLN 90 -18.872 -6.891 -11.160 599 HE21 GLN 90 HE21 GLN 90 -18.316 -4.739 -11.375 600 HE22 GLN 90 HE22 GLN 90 -16.789 -4.226 -11.998 601 H THR 91 HN THR 91 -18.205 -10.310 -8.889 602 HA THR 91 HA THR 91 -16.527 -12.630 -9.380 603 HB THR 91 HB THR 91 -18.616 -13.114 -7.466 604 HG1 THR 91 HG1 THR 91 -17.100 -11.071 -6.417 605 HG21 THR 91 HG21 THR 91 -16.708 -13.414 -5.958 606 HG22 THR 91 HG22 THR 91 -15.643 -12.686 -7.161 607 HG23 THR 91 HG23 THR 91 -16.440 -14.221 -7.503 608 H GLY 92 HN GLY 92 -19.141 -11.439 -10.869 609 HA2 GLY 92 HA2 GLY 92 -20.049 -14.117 -11.668 610 HA3 GLY 92 HA1 GLY 92 -21.250 -12.952 -11.122 611 H1 ASP 195 HN ASP 195 -14.317 5.922 14.650 612 HA ASP 195 HA ASP 195 -15.365 5.409 12.236 613 HB2 ASP 195 HB2 ASP 195 -14.940 8.001 11.963 614 HB3 ASP 195 HB1 ASP 195 -13.300 7.483 11.595 615 H THR 196 HN THR 196 -13.304 5.045 10.486 616 HA THR 196 HA THR 196 -11.305 3.640 12.144 617 HB THR 196 HB THR 196 -12.136 2.792 9.368 618 HG1 THR 196 HG1 THR 196 -13.944 2.216 10.328 619 HG21 THR 196 HG21 THR 196 -11.127 0.662 10.012 620 HG22 THR 196 HG22 THR 196 -10.751 1.308 11.609 621 HG23 THR 196 HG23 THR 196 -9.961 1.975 10.181 622 H ALA 197 HN ALA 197 -9.288 4.248 11.897 623 HA ALA 197 HA ALA 197 -8.500 5.634 9.414 624 HB1 ALA 197 HB1 ALA 197 -7.765 6.234 12.274 625 HB2 ALA 197 HB2 ALA 197 -8.534 7.295 11.092 626 HB3 ALA 197 HB3 ALA 197 -6.839 6.846 10.902 627 H GLY 198 HN GLY 198 -6.866 4.759 8.370 628 HA2 GLY 198 HA2 GLY 198 -5.131 2.849 9.814 629 HA3 GLY 198 HA1 GLY 198 -5.670 2.594 8.155 630 H CYS 199 HN CYS 199 -2.969 3.242 9.701 631 HA CYS 199 HA CYS 199 -2.149 5.278 7.725 632 HB2 CYS 199 HB2 CYS 199 -0.770 4.751 10.358 633 HB3 CYS 199 HB1 CYS 199 -0.545 6.126 9.283 634 HG CYS 199 HG CYS 199 -3.276 6.999 9.759 635 H ILE 200 HN ILE 200 -0.782 4.601 6.242 636 HA ILE 200 HA ILE 200 0.957 2.306 6.844 637 HB ILE 200 HB ILE 200 -0.355 2.845 4.172 638 HG12 ILE 200 HG12 ILE 200 -0.955 0.794 6.313 639 HG13 ILE 200 HG11 ILE 200 -2.030 2.066 5.738 640 HG21 ILE 200 HG21 ILE 200 0.540 0.633 3.568 641 HG22 ILE 200 HG22 ILE 200 1.368 0.562 5.122 642 HG23 ILE 200 HG23 ILE 200 1.818 1.789 3.941 643 HD11 ILE 200 HD11 ILE 200 -2.687 -0.086 4.850 644 HD12 ILE 200 HD12 ILE 200 -1.083 -0.313 4.154 645 HD13 ILE 200 HD13 ILE 200 -2.132 0.970 3.551 646 H VAL 201 HN VAL 201 3.097 2.638 6.445 647 HA VAL 201 HA VAL 201 3.812 4.855 4.643 648 HB VAL 201 HB VAL 201 4.397 5.574 6.867 649 HG11 VAL 201 HG11 VAL 201 4.441 3.450 8.021 650 HG12 VAL 201 HG12 VAL 201 5.952 4.314 8.292 651 HG13 VAL 201 HG13 VAL 201 5.897 2.973 7.149 652 HG21 VAL 201 HG21 VAL 201 6.778 5.947 6.622 653 HG22 VAL 201 HG22 VAL 201 5.976 6.083 5.058 654 HG23 VAL 201 HG23 VAL 201 6.887 4.628 5.459 655 H ILE 202 HN ILE 202 5.066 4.246 2.921 656 HA ILE 202 HA ILE 202 6.421 1.649 3.136 657 HB ILE 202 HB ILE 202 6.005 1.198 0.775 658 HG12 ILE 202 HG12 ILE 202 4.857 3.915 0.859 659 HG13 ILE 202 HG11 ILE 202 5.597 3.047 -0.484 660 HG21 ILE 202 HG21 ILE 202 4.521 0.255 2.439 661 HG22 ILE 202 HG22 ILE 202 3.628 0.629 0.965 662 HG23 ILE 202 HG23 ILE 202 3.495 1.687 2.371 663 HD11 ILE 202 HD11 ILE 202 2.775 2.936 0.493 664 HD12 ILE 202 HD12 ILE 202 3.441 1.709 -0.589 665 HD13 ILE 202 HD13 ILE 202 3.370 3.396 -1.103 666 H SEP 203 HN SEP 203 8.493 1.563 2.623 667 HA SEP 203 HA SEP 203 9.636 3.835 1.146 668 HB2 SEP 203 HB1 SEP 203 11.798 3.083 2.420 669 HB3 SEP 203 HB2 SEP 203 10.662 2.341 3.545 670 H ASP 204 HN ASP 204 10.622 3.328 -0.688 671 HA ASP 204 HA ASP 204 11.515 0.559 -1.084 672 HB2 ASP 204 HB2 ASP 204 9.422 1.570 -2.450 673 HB3 ASP 204 HB1 ASP 204 10.735 2.108 -3.492 674 H SEP 205 HN SEP 205 13.597 0.319 -1.844 675 HA SEP 205 HA SEP 205 14.997 2.853 -2.359 676 HB2 SEP 205 HB1 SEP 205 16.001 1.980 -0.446 677 HB3 SEP 205 HB2 SEP 205 17.038 1.330 -1.714 678 H GLU 206 HN GLU 206 15.918 3.182 -4.220 679 HA GLU 206 HA GLU 206 15.764 1.173 -6.300 680 HB2 GLU 206 HB2 GLU 206 15.151 3.633 -6.575 681 HB3 GLU 206 HB1 GLU 206 16.875 3.977 -6.495 682 HG2 GLU 206 HG2 GLU 206 16.139 3.918 -8.787 683 HG3 GLU 206 HG1 GLU 206 17.244 2.585 -8.469 Start of MODEL 6 1 H1 ASP 16 HN ASP 16 11.154 15.307 -0.058 2 HA ASP 16 HA ASP 16 11.068 14.048 2.561 3 HB2 ASP 16 HB2 ASP 16 9.912 16.438 1.311 4 HB3 ASP 16 HB1 ASP 16 8.790 15.585 2.370 5 H HIS 17 HN HIS 17 8.757 13.458 3.332 6 HA HIS 17 HA HIS 17 7.795 11.388 1.532 7 HB2 HIS 17 HB2 HIS 17 7.463 11.982 4.446 8 HB3 HIS 17 HB1 HIS 17 6.291 10.945 3.641 9 HD2 HIS 17 HD2 HIS 17 7.459 8.584 2.467 10 HE1 HIS 17 HE1 HIS 17 10.761 8.714 5.105 11 HE2 HIS 17 HE2 HIS 17 9.480 7.282 3.447 12 H ILE 18 HN ILE 18 5.568 11.098 1.057 13 HA ILE 18 HA ILE 18 3.916 13.518 1.308 14 HB ILE 18 HB ILE 18 4.752 13.474 -0.979 15 HG12 ILE 18 HG12 ILE 18 1.901 12.503 -1.111 16 HG13 ILE 18 HG11 ILE 18 2.323 14.070 -0.429 17 HG21 ILE 18 HG21 ILE 18 4.287 11.631 -2.500 18 HG22 ILE 18 HG22 ILE 18 3.550 10.719 -1.180 19 HG23 ILE 18 HG23 ILE 18 5.271 11.102 -1.134 20 HD11 ILE 18 HD11 ILE 18 3.281 14.763 -2.541 21 HD12 ILE 18 HD12 ILE 18 1.616 14.230 -2.766 22 HD13 ILE 18 HD13 ILE 18 2.950 13.178 -3.233 23 H ASN 19 HN ASN 19 1.776 13.154 1.797 24 HA ASN 19 HA ASN 19 1.116 10.361 2.403 25 HB2 ASN 19 HB2 ASN 19 0.057 12.960 3.512 26 HB3 ASN 19 HB1 ASN 19 -0.693 11.404 3.841 27 HD21 ASN 19 HD21 ASN 19 1.981 13.482 4.489 28 HD22 ASN 19 HD22 ASN 19 2.674 12.534 5.760 29 H LEU 20 HN LEU 20 -0.458 9.346 1.399 30 HA LEU 20 HA LEU 20 -2.253 10.908 -0.339 31 HB2 LEU 20 HB2 LEU 20 -1.252 8.081 -0.709 32 HB3 LEU 20 HB1 LEU 20 -2.405 8.887 -1.753 33 HG LEU 20 HG LEU 20 0.447 9.780 -1.341 34 HD11 LEU 20 HD11 LEU 20 0.746 8.972 -3.678 35 HD12 LEU 20 HD12 LEU 20 -0.842 8.213 -3.568 36 HD13 LEU 20 HD13 LEU 20 0.460 7.687 -2.504 37 HD21 LEU 20 HD21 LEU 20 -1.686 10.695 -3.268 38 HD22 LEU 20 HD22 LEU 20 -0.001 11.212 -3.287 39 HD23 LEU 20 HD23 LEU 20 -1.031 11.617 -1.915 40 H LYS 21 HN LYS 21 -4.416 9.806 -0.687 41 HA LYS 21 HA LYS 21 -5.213 8.474 1.819 42 HB2 LYS 21 HB2 LYS 21 -6.704 10.499 0.157 43 HB3 LYS 21 HB1 LYS 21 -7.477 9.525 1.400 44 HG2 LYS 21 HG2 LYS 21 -6.061 10.490 3.098 45 HG3 LYS 21 HG1 LYS 21 -5.161 11.391 1.875 46 HD2 LYS 21 HD2 LYS 21 -7.169 12.641 1.298 47 HD3 LYS 21 HD1 LYS 21 -8.102 11.716 2.477 48 HE2 LYS 21 HE2 LYS 21 -6.712 12.598 4.275 49 HE3 LYS 21 HE1 LYS 21 -5.750 13.498 3.104 50 HZ1 LYS 21 HZ1 LYS 21 -7.930 14.438 4.409 51 HZ2 LYS 21 HZ2 LYS 21 -8.563 14.030 2.893 52 HZ3 LYS 21 HZ3 LYS 21 -7.262 15.111 3.002 53 H VAL 22 HN VAL 22 -6.323 6.655 1.730 54 HA VAL 22 HA VAL 22 -7.372 5.749 -0.871 55 HB VAL 22 HB VAL 22 -6.035 4.101 1.291 56 HG11 VAL 22 HG11 VAL 22 -7.982 2.910 0.444 57 HG12 VAL 22 HG12 VAL 22 -6.494 2.146 -0.117 58 HG13 VAL 22 HG13 VAL 22 -7.436 3.160 -1.212 59 HG21 VAL 22 HG21 VAL 22 -4.497 5.243 -0.225 60 HG22 VAL 22 HG22 VAL 22 -5.331 4.534 -1.608 61 HG23 VAL 22 HG23 VAL 22 -4.464 3.499 -0.473 62 H ALA 23 HN ALA 23 -9.526 5.626 -0.806 63 HA ALA 23 HA ALA 23 -10.798 5.233 1.819 64 HB1 ALA 23 HB1 ALA 23 -11.925 6.564 -0.641 65 HB2 ALA 23 HB2 ALA 23 -11.311 7.384 0.795 66 HB3 ALA 23 HB3 ALA 23 -12.755 6.375 0.904 67 H GLY 24 HN GLY 24 -11.779 3.387 2.166 68 HA2 GLY 24 HA2 GLY 24 -12.161 1.485 0.032 69 HA3 GLY 24 HA1 GLY 24 -12.523 1.235 1.735 70 H GLN 25 HN GLN 25 -14.288 0.241 -0.013 71 HA GLN 25 HA GLN 25 -16.346 2.086 -0.742 72 HB2 GLN 25 HB2 GLN 25 -16.502 -0.919 -0.508 73 HB3 GLN 25 HB1 GLN 25 -17.635 0.119 -1.360 74 HG2 GLN 25 HG2 GLN 25 -15.174 0.754 -2.464 75 HG3 GLN 25 HG1 GLN 25 -15.121 -0.996 -2.246 76 HE21 GLN 25 HE21 GLN 25 -15.270 0.616 -4.687 77 HE22 GLN 25 HE22 GLN 25 -16.698 0.091 -5.517 78 H ASP 26 HN ASP 26 -15.487 0.631 2.171 79 HA ASP 26 HA ASP 26 -18.187 0.694 3.279 80 HB2 ASP 26 HB2 ASP 26 -17.239 -0.372 5.217 81 HB3 ASP 26 HB1 ASP 26 -16.635 -1.197 3.787 82 H GLY 27 HN GLY 27 -15.576 2.773 2.902 83 HA2 GLY 27 HA2 GLY 27 -15.876 5.083 3.534 84 HA3 GLY 27 HA1 GLY 27 -16.683 4.532 4.991 85 H SER 28 HN SER 28 -14.183 2.479 4.732 86 HA SER 28 HA SER 28 -12.696 3.742 6.819 87 HB2 SER 28 HB2 SER 28 -11.113 1.837 6.499 88 HB3 SER 28 HB1 SER 28 -12.785 1.312 6.680 89 HG SER 28 HG SER 28 -12.906 0.880 4.520 90 H VAL 29 HN VAL 29 -10.699 4.779 6.718 91 HA VAL 29 HA VAL 29 -9.675 5.331 4.020 92 HB VAL 29 HB VAL 29 -10.835 7.317 4.687 93 HG11 VAL 29 HG11 VAL 29 -9.261 7.186 7.254 94 HG12 VAL 29 HG12 VAL 29 -11.000 6.955 7.065 95 HG13 VAL 29 HG13 VAL 29 -10.282 8.537 6.759 96 HG21 VAL 29 HG21 VAL 29 -9.071 8.966 4.630 97 HG22 VAL 29 HG22 VAL 29 -8.650 7.613 3.582 98 HG23 VAL 29 HG23 VAL 29 -7.893 7.769 5.167 99 H VAL 30 HN VAL 30 -7.569 4.997 3.745 100 HA VAL 30 HA VAL 30 -5.913 4.612 6.154 101 HB VAL 30 HB VAL 30 -5.310 3.365 3.471 102 HG11 VAL 30 HG11 VAL 30 -3.807 1.963 4.698 103 HG12 VAL 30 HG12 VAL 30 -4.443 2.541 6.240 104 HG13 VAL 30 HG13 VAL 30 -3.513 3.630 5.210 105 HG21 VAL 30 HG21 VAL 30 -6.207 1.246 4.403 106 HG22 VAL 30 HG22 VAL 30 -7.450 2.465 4.106 107 HG23 VAL 30 HG23 VAL 30 -6.883 2.166 5.750 108 H GLN 31 HN GLN 31 -4.352 6.015 6.426 109 HA GLN 31 HA GLN 31 -3.684 7.952 4.385 110 HB2 GLN 31 HB2 GLN 31 -3.910 8.590 6.768 111 HB3 GLN 31 HB1 GLN 31 -2.567 7.533 7.172 112 HG2 GLN 31 HG2 GLN 31 -1.095 8.922 5.757 113 HG3 GLN 31 HG1 GLN 31 -2.452 10.011 5.467 114 HE21 GLN 31 HE21 GLN 31 0.135 10.493 6.757 115 HE22 GLN 31 HE22 GLN 31 -0.234 11.093 8.340 116 H PHE 32 HN PHE 32 -2.249 7.504 2.863 117 HA PHE 32 HA PHE 32 -0.291 5.385 3.295 118 HB2 PHE 32 HB2 PHE 32 -1.770 6.347 1.049 119 HB3 PHE 32 HB1 PHE 32 -0.052 6.478 0.691 120 HD1 PHE 32 HD1 PHE 32 -2.853 4.354 0.693 121 HD2 PHE 32 HD2 PHE 32 1.376 4.355 1.207 122 HE1 PHE 32 HE1 PHE 32 -2.791 1.952 0.163 123 HE2 PHE 32 HE2 PHE 32 1.445 1.955 0.676 124 HZ PHE 32 HZ PHE 32 -0.639 0.750 0.151 125 H LYS 33 HN LYS 33 1.524 6.032 4.245 126 HA LYS 33 HA LYS 33 2.698 8.620 3.535 127 HB2 LYS 33 HB2 LYS 33 2.593 8.169 5.916 128 HB3 LYS 33 HB1 LYS 33 3.381 6.613 5.695 129 HG2 LYS 33 HG2 LYS 33 5.428 7.721 5.014 130 HG3 LYS 33 HG1 LYS 33 4.649 9.297 5.173 131 HD2 LYS 33 HD2 LYS 33 4.491 9.094 7.513 132 HD3 LYS 33 HD1 LYS 33 4.820 7.360 7.464 133 HE2 LYS 33 HE2 LYS 33 7.099 7.769 6.787 134 HE3 LYS 33 HE1 LYS 33 6.793 9.502 6.680 135 HZ1 LYS 33 HZ1 LYS 33 7.925 8.870 8.742 136 HZ2 LYS 33 HZ2 LYS 33 6.608 7.899 9.172 137 HZ3 LYS 33 HZ3 LYS 33 6.415 9.574 9.041 138 H ILE 34 HN ILE 34 3.766 8.453 1.653 139 HA ILE 34 HA ILE 34 5.842 6.387 1.448 140 HB ILE 34 HB ILE 34 5.134 5.496 -0.525 141 HG12 ILE 34 HG12 ILE 34 3.915 8.175 -1.232 142 HG13 ILE 34 HG11 ILE 34 5.430 7.507 -1.830 143 HG21 ILE 34 HG21 ILE 34 3.198 5.391 1.086 144 HG22 ILE 34 HG22 ILE 34 2.798 5.159 -0.613 145 HG23 ILE 34 HG23 ILE 34 2.470 6.705 0.163 146 HD11 ILE 34 HD11 ILE 34 2.697 6.374 -2.365 147 HD12 ILE 34 HD12 ILE 34 4.225 5.763 -2.998 148 HD13 ILE 34 HD13 ILE 34 3.647 7.355 -3.482 149 H LYS 35 HN LYS 35 7.334 6.936 -0.511 150 HA LYS 35 HA LYS 35 7.955 9.786 -0.315 151 HB2 LYS 35 HB2 LYS 35 9.517 7.370 -1.179 152 HB3 LYS 35 HB1 LYS 35 10.035 8.979 -1.656 153 HG2 LYS 35 HG2 LYS 35 9.795 9.465 0.912 154 HG3 LYS 35 HG1 LYS 35 9.996 7.716 1.030 155 HD2 LYS 35 HD2 LYS 35 12.080 7.894 -0.278 156 HD3 LYS 35 HD1 LYS 35 11.886 9.645 -0.321 157 HE2 LYS 35 HE2 LYS 35 13.383 9.275 1.432 158 HE3 LYS 35 HE1 LYS 35 11.831 9.518 2.229 159 HZ1 LYS 35 HZ1 LYS 35 13.190 6.933 1.726 160 HZ2 LYS 35 HZ2 LYS 35 11.608 7.059 2.320 161 HZ3 LYS 35 HZ3 LYS 35 12.909 7.658 3.224 162 H ARG 36 HN ARG 36 8.585 10.937 -2.323 163 HA ARG 36 HA ARG 36 6.532 10.616 -4.279 164 HB2 ARG 36 HB2 ARG 36 8.937 12.449 -4.274 165 HB3 ARG 36 HB1 ARG 36 7.585 12.552 -5.395 166 HG2 ARG 36 HG2 ARG 36 6.085 12.908 -3.430 167 HG3 ARG 36 HG1 ARG 36 7.530 13.001 -2.422 168 HD2 ARG 36 HD2 ARG 36 7.059 15.227 -2.887 169 HD3 ARG 36 HD1 ARG 36 8.298 14.820 -4.075 170 HE ARG 36 HE ARG 36 6.540 14.653 -5.730 171 HH11 ARG 36 HH11 ARG 36 5.700 16.239 -2.723 172 HH12 ARG 36 HH12 ARG 36 4.366 17.110 -3.408 173 HH21 ARG 36 HH21 ARG 36 4.772 15.787 -6.630 174 HH22 ARG 36 HH22 ARG 36 3.831 16.859 -5.628 175 H HIS 37 HN HIS 37 9.464 9.064 -3.922 176 HA HIS 37 HA HIS 37 9.790 8.682 -6.813 177 HB2 HIS 37 HB2 HIS 37 12.008 8.069 -6.439 178 HB3 HIS 37 HB1 HIS 37 11.748 9.265 -5.181 179 HD2 HIS 37 HD2 HIS 37 11.557 8.213 -2.556 180 HE1 HIS 37 HE1 HIS 37 13.094 4.432 -3.663 181 HE2 HIS 37 HE2 HIS 37 12.462 5.932 -1.711 182 H THR 38 HN THR 38 8.198 7.307 -4.285 183 HA THR 38 HA THR 38 8.708 4.526 -4.806 184 HB THR 38 HB THR 38 6.436 5.732 -3.225 185 HG1 THR 38 HG1 THR 38 9.164 5.408 -2.648 186 HG21 THR 38 HG21 THR 38 7.782 3.029 -3.169 187 HG22 THR 38 HG22 THR 38 6.122 3.379 -3.650 188 HG23 THR 38 HG23 THR 38 6.614 3.586 -1.969 189 HA PRO 39 HA PRO 39 5.918 4.323 -8.337 190 HB2 PRO 39 HB2 PRO 39 6.253 1.416 -7.898 191 HB3 PRO 39 HB1 PRO 39 6.578 2.383 -9.344 192 HG2 PRO 39 HG2 PRO 39 8.576 1.407 -7.882 193 HG3 PRO 39 HG1 PRO 39 8.675 3.006 -8.640 194 HD2 PRO 39 HD2 PRO 39 8.144 2.305 -5.795 195 HD3 PRO 39 HD1 PRO 39 9.121 3.625 -6.474 196 H LEU 40 HN LEU 40 3.751 3.711 -8.677 197 HA LEU 40 HA LEU 40 2.200 3.504 -6.296 198 HB2 LEU 40 HB2 LEU 40 1.539 3.595 -9.212 199 HB3 LEU 40 HB1 LEU 40 0.295 3.252 -8.028 200 HG LEU 40 HG LEU 40 1.997 5.744 -8.075 201 HD11 LEU 40 HD11 LEU 40 0.473 5.643 -9.976 202 HD12 LEU 40 HD12 LEU 40 -0.033 6.871 -8.815 203 HD13 LEU 40 HD13 LEU 40 -0.875 5.321 -8.884 204 HD21 LEU 40 HD21 LEU 40 -0.315 4.888 -6.346 205 HD22 LEU 40 HD22 LEU 40 0.271 6.548 -6.447 206 HD23 LEU 40 HD23 LEU 40 1.325 5.273 -5.833 207 H SER 41 HN SER 41 3.696 1.126 -8.136 208 HA SER 41 HA SER 41 1.786 -0.942 -8.057 209 HB2 SER 41 HB2 SER 41 3.924 -2.413 -8.101 210 HB3 SER 41 HB1 SER 41 3.634 -1.331 -9.466 211 HG SER 41 HG SER 41 5.455 -0.416 -9.010 212 H LYS 42 HN LYS 42 4.125 0.263 -5.781 213 HA LYS 42 HA LYS 42 3.992 -1.791 -3.867 214 HB2 LYS 42 HB2 LYS 42 5.494 0.438 -4.199 215 HB3 LYS 42 HB1 LYS 42 4.416 0.977 -2.922 216 HG2 LYS 42 HG2 LYS 42 5.087 -0.925 -1.549 217 HG3 LYS 42 HG1 LYS 42 6.176 -1.461 -2.832 218 HD2 LYS 42 HD2 LYS 42 7.258 0.832 -2.662 219 HD3 LYS 42 HD1 LYS 42 6.343 1.046 -1.166 220 HE2 LYS 42 HE2 LYS 42 8.427 0.247 -0.482 221 HE3 LYS 42 HE1 LYS 42 7.385 -1.168 -0.428 222 HZ1 LYS 42 HZ1 LYS 42 9.230 -0.491 -2.663 223 HZ2 LYS 42 HZ2 LYS 42 8.296 -1.899 -2.519 224 HZ3 LYS 42 HZ3 LYS 42 9.562 -1.613 -1.436 225 H LEU 43 HN LEU 43 2.204 1.229 -4.255 226 HA LEU 43 HA LEU 43 0.678 1.201 -1.926 227 HB2 LEU 43 HB2 LEU 43 0.893 2.817 -4.113 228 HB3 LEU 43 HB1 LEU 43 -0.690 2.116 -4.370 229 HG LEU 43 HG LEU 43 -0.648 2.931 -1.682 230 HD11 LEU 43 HD11 LEU 43 -0.123 5.315 -1.873 231 HD12 LEU 43 HD12 LEU 43 0.477 5.047 -3.510 232 HD13 LEU 43 HD13 LEU 43 1.297 4.303 -2.136 233 HD21 LEU 43 HD21 LEU 43 -1.886 4.208 -4.114 234 HD22 LEU 43 HD22 LEU 43 -2.352 4.517 -2.441 235 HD23 LEU 43 HD23 LEU 43 -2.587 2.914 -3.140 236 H MET 44 HN MET 44 0.050 -0.254 -5.072 237 HA MET 44 HA MET 44 -2.548 -1.187 -4.520 238 HB2 MET 44 HB2 MET 44 -1.584 -0.896 -6.781 239 HB3 MET 44 HB1 MET 44 -0.524 -2.268 -6.486 240 HG2 MET 44 HG2 MET 44 -2.420 -3.751 -6.337 241 HG3 MET 44 HG1 MET 44 -3.530 -2.393 -6.497 242 HE1 MET 44 HE1 MET 44 -2.999 -1.248 -10.172 243 HE2 MET 44 HE2 MET 44 -2.036 -0.638 -8.825 244 HE3 MET 44 HE3 MET 44 -3.764 -0.924 -8.617 245 H LYS 45 HN LYS 45 0.627 -2.725 -4.180 246 HA LYS 45 HA LYS 45 -0.544 -5.248 -3.407 247 HB2 LYS 45 HB2 LYS 45 2.311 -4.284 -3.485 248 HB3 LYS 45 HB1 LYS 45 1.840 -5.914 -3.022 249 HG2 LYS 45 HG2 LYS 45 0.850 -6.262 -5.226 250 HG3 LYS 45 HG1 LYS 45 1.312 -4.622 -5.692 251 HD2 LYS 45 HD2 LYS 45 3.273 -6.736 -4.804 252 HD3 LYS 45 HD1 LYS 45 2.861 -6.427 -6.493 253 HE2 LYS 45 HE2 LYS 45 3.610 -4.093 -6.218 254 HE3 LYS 45 HE1 LYS 45 4.082 -4.461 -4.559 255 HZ1 LYS 45 HZ1 LYS 45 5.211 -5.664 -7.023 256 HZ2 LYS 45 HZ2 LYS 45 5.629 -6.127 -5.452 257 HZ3 LYS 45 HZ3 LYS 45 5.983 -4.565 -5.996 258 H ALA 46 HN ALA 46 1.157 -2.612 -1.733 259 HA ALA 46 HA ALA 46 1.452 -3.885 0.746 260 HB1 ALA 46 HB1 ALA 46 2.479 -1.694 -0.074 261 HB2 ALA 46 HB2 ALA 46 2.032 -1.813 1.628 262 HB3 ALA 46 HB3 ALA 46 0.993 -0.935 0.504 263 H TYR 47 HN TYR 47 -1.192 -1.804 -0.427 264 HA TYR 47 HA TYR 47 -2.659 -2.023 2.009 265 HB2 TYR 47 HB2 TYR 47 -3.042 -0.088 0.659 266 HB3 TYR 47 HB1 TYR 47 -3.446 -1.068 -0.747 267 HD1 TYR 47 HD1 TYR 47 -5.677 -1.220 -1.289 268 HD2 TYR 47 HD2 TYR 47 -4.615 -0.617 2.786 269 HE1 TYR 47 HE1 TYR 47 -8.059 -1.105 -0.690 270 HE2 TYR 47 HE2 TYR 47 -6.994 -0.504 3.395 271 HH TYR 47 HH TYR 47 -9.497 -1.378 1.198 272 H CYS 48 HN CYS 48 -2.460 -3.895 -0.904 273 HA CYS 48 HA CYS 48 -4.867 -5.331 -0.705 274 HB2 CYS 48 HB2 CYS 48 -3.134 -5.261 -2.629 275 HB3 CYS 48 HB1 CYS 48 -2.299 -6.529 -1.740 276 HG CYS 48 HG CYS 48 -4.276 -8.413 -1.964 277 H GLU 49 HN GLU 49 -1.699 -5.768 0.744 278 HA GLU 49 HA GLU 49 -2.191 -8.289 1.941 279 HB2 GLU 49 HB2 GLU 49 -0.222 -6.104 2.625 280 HB3 GLU 49 HB1 GLU 49 -0.220 -7.694 3.372 281 HG2 GLU 49 HG2 GLU 49 0.137 -7.167 0.430 282 HG3 GLU 49 HG1 GLU 49 1.445 -7.457 1.575 283 H ARG 50 HN ARG 50 -2.818 -4.986 2.895 284 HA ARG 50 HA ARG 50 -3.330 -5.485 5.642 285 HB2 ARG 50 HB2 ARG 50 -4.120 -3.238 3.789 286 HB3 ARG 50 HB1 ARG 50 -4.583 -3.269 5.486 287 HG2 ARG 50 HG2 ARG 50 -1.709 -3.577 4.749 288 HG3 ARG 50 HG1 ARG 50 -2.453 -1.978 4.717 289 HD2 ARG 50 HD2 ARG 50 -3.196 -2.352 7.062 290 HD3 ARG 50 HD1 ARG 50 -2.283 -3.859 7.065 291 HE ARG 50 HE ARG 50 -0.264 -2.517 6.748 292 HH11 ARG 50 HH11 ARG 50 -2.252 0.448 8.599 293 HH12 ARG 50 HH12 ARG 50 -3.143 -0.850 7.870 294 HH21 ARG 50 HH21 ARG 50 0.899 -0.771 7.703 295 HH22 ARG 50 HH22 ARG 50 0.023 0.498 8.502 296 H GLN 51 HN GLN 51 -5.188 -5.865 2.750 297 HA GLN 51 HA GLN 51 -7.662 -6.232 4.272 298 HB2 GLN 51 HB2 GLN 51 -7.155 -6.166 1.292 299 HB3 GLN 51 HB1 GLN 51 -8.733 -6.395 2.033 300 HG2 GLN 51 HG2 GLN 51 -6.983 -3.959 2.279 301 HG3 GLN 51 HG1 GLN 51 -8.450 -4.107 1.311 302 HE21 GLN 51 HE21 GLN 51 -10.443 -4.126 2.333 303 HE22 GLN 51 HE22 GLN 51 -10.649 -3.634 3.977 304 H GLY 52 HN GLY 52 -5.132 -7.985 2.807 305 HA2 GLY 52 HA2 GLY 52 -4.684 -10.238 2.758 306 HA3 GLY 52 HA1 GLY 52 -6.104 -10.478 3.764 307 H LEU 53 HN LEU 53 -5.757 -9.126 0.505 308 HA LEU 53 HA LEU 53 -7.409 -11.336 -0.514 309 HB2 LEU 53 HB2 LEU 53 -7.792 -8.392 -1.063 310 HB3 LEU 53 HB1 LEU 53 -8.563 -9.665 -1.986 311 HG LEU 53 HG LEU 53 -8.949 -9.314 0.984 312 HD11 LEU 53 HD11 LEU 53 -9.742 -7.335 -0.216 313 HD12 LEU 53 HD12 LEU 53 -11.079 -8.273 0.455 314 HD13 LEU 53 HD13 LEU 53 -10.711 -8.365 -1.268 315 HD21 LEU 53 HD21 LEU 53 -9.406 -11.556 0.138 316 HD22 LEU 53 HD22 LEU 53 -10.485 -10.883 -1.083 317 HD23 LEU 53 HD23 LEU 53 -10.893 -10.746 0.626 318 H SER 54 HN SER 54 -7.489 -10.990 -3.083 319 HA SER 54 HA SER 54 -4.691 -11.014 -3.887 320 HB2 SER 54 HB2 SER 54 -6.092 -12.931 -4.526 321 HB3 SER 54 HB1 SER 54 -7.170 -11.853 -5.413 322 HG SER 54 HG SER 54 -4.561 -12.692 -6.034 323 H MET 55 HN MET 55 -3.853 -9.760 -5.494 324 HA MET 55 HA MET 55 -4.889 -7.145 -5.802 325 HB2 MET 55 HB2 MET 55 -2.472 -7.796 -5.842 326 HB3 MET 55 HB1 MET 55 -2.737 -8.519 -7.421 327 HG2 MET 55 HG2 MET 55 -3.382 -6.325 -8.300 328 HG3 MET 55 HG1 MET 55 -3.063 -5.616 -6.719 329 HE1 MET 55 HE1 MET 55 -0.870 -8.486 -8.459 330 HE2 MET 55 HE2 MET 55 0.117 -7.456 -9.496 331 HE3 MET 55 HE3 MET 55 -1.630 -7.531 -9.730 332 H ARG 56 HN ARG 56 -5.497 -10.065 -7.427 333 HA ARG 56 HA ARG 56 -6.361 -8.780 -9.896 334 HB2 ARG 56 HB2 ARG 56 -5.103 -10.998 -9.811 335 HB3 ARG 56 HB1 ARG 56 -6.586 -11.701 -9.183 336 HG2 ARG 56 HG2 ARG 56 -7.763 -11.022 -11.219 337 HG3 ARG 56 HG1 ARG 56 -6.264 -10.345 -11.854 338 HD2 ARG 56 HD2 ARG 56 -5.286 -12.435 -12.121 339 HD3 ARG 56 HD1 ARG 56 -6.380 -13.204 -10.972 340 HE ARG 56 HE ARG 56 -7.954 -13.444 -12.642 341 HH11 ARG 56 HH11 ARG 56 -5.299 -11.470 -13.803 342 HH12 ARG 56 HH12 ARG 56 -5.800 -11.556 -15.462 343 HH21 ARG 56 HH21 ARG 56 -8.606 -13.559 -14.822 344 HH22 ARG 56 HH22 ARG 56 -7.677 -12.740 -16.040 345 H GLN 57 HN GLN 57 -7.630 -9.081 -6.932 346 HA GLN 57 HA GLN 57 -10.359 -9.626 -7.888 347 HB2 GLN 57 HB2 GLN 57 -9.522 -11.028 -6.012 348 HB3 GLN 57 HB1 GLN 57 -9.332 -9.570 -5.047 349 HG2 GLN 57 HG2 GLN 57 -11.806 -9.171 -5.407 350 HG3 GLN 57 HG1 GLN 57 -11.875 -10.815 -6.042 351 HE21 GLN 57 HE21 GLN 57 -13.153 -9.675 -3.699 352 HE22 GLN 57 HE22 GLN 57 -12.631 -10.626 -2.353 353 H ILE 58 HN ILE 58 -8.296 -7.251 -6.396 354 HA ILE 58 HA ILE 58 -10.573 -5.401 -6.233 355 HB ILE 58 HB ILE 58 -8.985 -4.016 -4.783 356 HG12 ILE 58 HG12 ILE 58 -7.576 -6.692 -4.607 357 HG13 ILE 58 HG11 ILE 58 -6.921 -5.237 -5.353 358 HG21 ILE 58 HG21 ILE 58 -10.070 -6.661 -3.832 359 HG22 ILE 58 HG22 ILE 58 -10.898 -5.104 -3.840 360 HG23 ILE 58 HG23 ILE 58 -9.528 -5.369 -2.764 361 HD11 ILE 58 HD11 ILE 58 -7.576 -5.623 -2.442 362 HD12 ILE 58 HD12 ILE 58 -7.016 -4.115 -3.163 363 HD13 ILE 58 HD13 ILE 58 -5.972 -5.535 -3.166 364 H ARG 59 HN ARG 59 -10.528 -3.506 -7.308 365 HA ARG 59 HA ARG 59 -8.189 -3.018 -9.034 366 HB2 ARG 59 HB2 ARG 59 -11.112 -2.472 -9.598 367 HB3 ARG 59 HB1 ARG 59 -9.786 -1.967 -10.635 368 HG2 ARG 59 HG2 ARG 59 -10.525 -4.808 -9.963 369 HG3 ARG 59 HG1 ARG 59 -10.848 -3.980 -11.487 370 HD2 ARG 59 HD2 ARG 59 -8.431 -3.706 -11.830 371 HD3 ARG 59 HD1 ARG 59 -8.128 -4.564 -10.321 372 HE ARG 59 HE ARG 59 -9.685 -6.251 -11.854 373 HH11 ARG 59 HH11 ARG 59 -6.539 -4.722 -12.116 374 HH12 ARG 59 HH12 ARG 59 -5.864 -5.982 -13.098 375 HH21 ARG 59 HH21 ARG 59 -8.789 -7.919 -13.148 376 HH22 ARG 59 HH22 ARG 59 -7.141 -7.798 -13.679 377 H PHE 60 HN PHE 60 -7.487 -0.887 -9.265 378 HA PHE 60 HA PHE 60 -8.689 1.009 -7.357 379 HB2 PHE 60 HB2 PHE 60 -5.779 0.693 -8.110 380 HB3 PHE 60 HB1 PHE 60 -6.418 1.951 -7.057 381 HD1 PHE 60 HD1 PHE 60 -5.541 -1.574 -7.342 382 HD2 PHE 60 HD2 PHE 60 -7.233 1.419 -4.830 383 HE1 PHE 60 HE1 PHE 60 -5.301 -3.069 -5.401 384 HE2 PHE 60 HE2 PHE 60 -6.995 -0.072 -2.888 385 HZ PHE 60 HZ PHE 60 -6.026 -2.315 -3.172 386 H ARG 61 HN ARG 61 -9.025 3.092 -8.016 387 HA ARG 61 HA ARG 61 -8.252 3.727 -10.784 388 HB2 ARG 61 HB2 ARG 61 -10.949 4.009 -9.492 389 HB3 ARG 61 HB1 ARG 61 -10.493 4.977 -10.887 390 HG2 ARG 61 HG2 ARG 61 -9.986 2.824 -12.081 391 HG3 ARG 61 HG1 ARG 61 -10.737 1.986 -10.722 392 HD2 ARG 61 HD2 ARG 61 -12.833 3.012 -11.152 393 HD3 ARG 61 HD1 ARG 61 -12.121 4.135 -12.309 394 HE ARG 61 HE ARG 61 -11.707 1.436 -13.102 395 HH11 ARG 61 HH11 ARG 61 -15.046 3.299 -14.321 396 HH12 ARG 61 HH12 ARG 61 -14.161 3.926 -12.972 397 HH21 ARG 61 HH21 ARG 61 -12.853 0.615 -14.884 398 HH22 ARG 61 HH22 ARG 61 -14.302 1.413 -15.410 399 H PHE 62 HN PHE 62 -7.793 5.816 -11.263 400 HA PHE 62 HA PHE 62 -7.965 7.844 -9.166 401 HB2 PHE 62 HB2 PHE 62 -5.728 6.927 -8.863 402 HB3 PHE 62 HB1 PHE 62 -5.404 7.056 -10.589 403 HD1 PHE 62 HD1 PHE 62 -6.144 9.081 -7.563 404 HD2 PHE 62 HD2 PHE 62 -4.442 8.992 -11.466 405 HE1 PHE 62 HE1 PHE 62 -5.224 11.329 -7.213 406 HE2 PHE 62 HE2 PHE 62 -3.516 11.245 -11.115 407 HZ PHE 62 HZ PHE 62 -3.910 12.416 -8.985 408 H ASP 63 HN ASP 63 -8.453 9.818 -9.996 409 HA ASP 63 HA ASP 63 -9.111 11.400 -11.485 410 HB2 ASP 63 HB2 ASP 63 -6.573 11.031 -12.089 411 HB3 ASP 63 HB1 ASP 63 -7.233 10.337 -13.566 412 H GLY 64 HN GLY 64 -10.372 8.758 -11.476 413 HA2 GLY 64 HA2 GLY 64 -12.211 7.886 -12.558 414 HA3 GLY 64 HA1 GLY 64 -12.006 9.102 -13.808 415 H GLN 65 HN GLN 65 -9.128 7.434 -13.315 416 HA GLN 65 HA GLN 65 -9.786 5.560 -15.494 417 HB2 GLN 65 HB2 GLN 65 -7.306 7.234 -15.101 418 HB3 GLN 65 HB1 GLN 65 -7.377 5.877 -16.217 419 HG2 GLN 65 HG2 GLN 65 -9.175 8.289 -16.342 420 HG3 GLN 65 HG1 GLN 65 -7.703 8.081 -17.288 421 HE21 GLN 65 HE21 GLN 65 -11.000 7.124 -16.870 422 HE22 GLN 65 HE22 GLN 65 -11.144 6.239 -18.351 423 HA PRO 66 HA PRO 66 -8.151 2.361 -12.887 424 HB2 PRO 66 HB2 PRO 66 -7.132 1.001 -15.285 425 HB3 PRO 66 HB1 PRO 66 -8.402 0.492 -14.162 426 HG2 PRO 66 HG2 PRO 66 -8.976 1.273 -16.664 427 HG3 PRO 66 HG1 PRO 66 -10.062 1.600 -15.300 428 HD2 PRO 66 HD2 PRO 66 -8.142 3.446 -16.662 429 HD3 PRO 66 HD1 PRO 66 -9.795 3.757 -16.082 430 H ILE 67 HN ILE 67 -6.263 2.034 -11.844 431 HA ILE 67 HA ILE 67 -3.890 3.355 -12.859 432 HB ILE 67 HB ILE 67 -4.201 1.829 -10.271 433 HG12 ILE 67 HG12 ILE 67 -4.477 4.808 -10.711 434 HG13 ILE 67 HG11 ILE 67 -5.844 3.713 -10.534 435 HG21 ILE 67 HG21 ILE 67 -2.301 3.215 -9.542 436 HG22 ILE 67 HG22 ILE 67 -2.200 3.903 -11.162 437 HG23 ILE 67 HG23 ILE 67 -1.892 2.184 -10.913 438 HD11 ILE 67 HD11 ILE 67 -5.035 3.115 -8.291 439 HD12 ILE 67 HD12 ILE 67 -5.400 4.831 -8.453 440 HD13 ILE 67 HD13 ILE 67 -3.726 4.281 -8.474 441 H ASN 68 HN ASN 68 -2.199 2.393 -13.774 442 HA ASN 68 HA ASN 68 -2.278 -0.497 -14.151 443 HB2 ASN 68 HB2 ASN 68 -0.297 1.511 -15.257 444 HB3 ASN 68 HB1 ASN 68 -0.512 -0.153 -15.780 445 HD21 ASN 68 HD21 ASN 68 -1.728 3.069 -15.900 446 HD22 ASN 68 HD22 ASN 68 -2.904 2.801 -17.149 447 H GLU 69 HN GLU 69 -0.172 -1.709 -13.896 448 HA GLU 69 HA GLU 69 0.817 -1.212 -11.246 449 HB2 GLU 69 HB2 GLU 69 1.326 -3.366 -13.276 450 HB3 GLU 69 HB1 GLU 69 2.230 -3.286 -11.769 451 HG2 GLU 69 HG2 GLU 69 0.223 -3.528 -10.483 452 HG3 GLU 69 HG1 GLU 69 -0.772 -3.414 -11.933 453 H THR 70 HN THR 70 1.713 -0.021 -14.212 454 HA THR 70 HA THR 70 4.509 0.320 -13.357 455 HB THR 70 HB THR 70 3.569 0.914 -16.144 456 HG1 THR 70 HG1 THR 70 3.127 -1.132 -16.415 457 HG21 THR 70 HG21 THR 70 6.174 -0.087 -14.983 458 HG22 THR 70 HG22 THR 70 5.844 1.552 -15.541 459 HG23 THR 70 HG23 THR 70 5.875 0.216 -16.692 460 H ASP 71 HN ASP 71 1.814 1.836 -12.879 461 HA ASP 71 HA ASP 71 2.433 4.475 -13.895 462 HB2 ASP 71 HB2 ASP 71 0.189 3.284 -12.317 463 HB3 ASP 71 HB1 ASP 71 0.437 5.026 -12.251 464 H THR 72 HN THR 72 3.161 6.197 -12.742 465 HA THR 72 HA THR 72 4.075 5.661 -9.994 466 HB THR 72 HB THR 72 5.711 7.688 -10.994 467 HG1 THR 72 HG1 THR 72 6.132 5.729 -12.877 468 HG21 THR 72 HG21 THR 72 6.198 4.717 -10.728 469 HG22 THR 72 HG22 THR 72 6.476 5.959 -9.506 470 HG23 THR 72 HG23 THR 72 7.468 5.919 -10.963 471 HA PRO 73 HA PRO 73 1.755 9.146 -8.546 472 HB2 PRO 73 HB2 PRO 73 4.259 10.043 -7.202 473 HB3 PRO 73 HB1 PRO 73 2.650 9.765 -6.521 474 HG2 PRO 73 HG2 PRO 73 4.589 8.017 -6.089 475 HG3 PRO 73 HG1 PRO 73 2.930 7.470 -6.402 476 HD2 PRO 73 HD2 PRO 73 5.289 7.462 -8.222 477 HD3 PRO 73 HD1 PRO 73 3.981 6.276 -8.062 478 H ALA 74 HN ALA 74 5.103 9.968 -9.463 479 HA ALA 74 HA ALA 74 4.464 12.671 -10.108 480 HB1 ALA 74 HB1 ALA 74 6.696 12.098 -9.419 481 HB2 ALA 74 HB2 ALA 74 6.741 12.739 -11.063 482 HB3 ALA 74 HB3 ALA 74 6.875 11.001 -10.788 483 H GLN 75 HN GLN 75 4.109 9.716 -11.783 484 HA GLN 75 HA GLN 75 4.254 10.885 -14.421 485 HB2 GLN 75 HB2 GLN 75 4.917 8.511 -13.908 486 HB3 GLN 75 HB1 GLN 75 3.214 8.157 -13.652 487 HG2 GLN 75 HG2 GLN 75 3.824 7.466 -15.857 488 HG3 GLN 75 HG1 GLN 75 2.761 8.868 -15.979 489 HE21 GLN 75 HE21 GLN 75 3.559 10.794 -16.757 490 HE22 GLN 75 HE22 GLN 75 5.101 10.916 -17.532 491 H LEU 76 HN LEU 76 1.800 9.957 -12.094 492 HA LEU 76 HA LEU 76 -0.336 10.583 -13.973 493 HB2 LEU 76 HB2 LEU 76 -0.434 9.635 -11.110 494 HB3 LEU 76 HB1 LEU 76 -1.837 9.881 -12.131 495 HG LEU 76 HG LEU 76 0.319 7.799 -12.463 496 HD11 LEU 76 HD11 LEU 76 -1.409 7.331 -10.789 497 HD12 LEU 76 HD12 LEU 76 -1.506 6.235 -12.168 498 HD13 LEU 76 HD13 LEU 76 -2.651 7.568 -12.019 499 HD21 LEU 76 HD21 LEU 76 -1.969 8.473 -14.304 500 HD22 LEU 76 HD22 LEU 76 -0.950 7.041 -14.430 501 HD23 LEU 76 HD23 LEU 76 -0.253 8.643 -14.661 502 H GLU 77 HN GLU 77 1.651 12.445 -12.413 503 HA GLU 77 HA GLU 77 1.664 14.537 -11.533 504 HB2 GLU 77 HB2 GLU 77 -1.026 14.727 -12.907 505 HB3 GLU 77 HB1 GLU 77 -0.059 16.088 -12.355 506 HG2 GLU 77 HG2 GLU 77 1.134 14.149 -14.273 507 HG3 GLU 77 HG1 GLU 77 -0.027 15.337 -14.859 508 H MET 78 HN MET 78 1.058 12.724 -9.681 509 HA MET 78 HA MET 78 -1.387 13.420 -8.301 510 HB2 MET 78 HB2 MET 78 0.901 11.629 -7.474 511 HB3 MET 78 HB1 MET 78 -0.609 11.808 -6.591 512 HG2 MET 78 HG2 MET 78 -1.830 10.947 -8.546 513 HG3 MET 78 HG1 MET 78 -0.294 10.725 -9.378 514 HE1 MET 78 HE1 MET 78 -2.773 9.456 -6.741 515 HE2 MET 78 HE2 MET 78 -1.497 9.986 -5.646 516 HE3 MET 78 HE3 MET 78 -1.854 8.268 -5.818 517 H GLU 79 HN GLU 79 -1.479 14.260 -6.180 518 HA GLU 79 HA GLU 79 0.880 15.655 -5.171 519 HB2 GLU 79 HB2 GLU 79 -1.363 16.930 -6.527 520 HB3 GLU 79 HB1 GLU 79 -1.138 17.549 -4.899 521 HG2 GLU 79 HG2 GLU 79 0.973 17.444 -7.042 522 HG3 GLU 79 HG1 GLU 79 0.067 18.874 -6.553 523 H ASP 80 HN ASP 80 -0.551 17.215 -3.286 524 HA ASP 80 HA ASP 80 -1.079 15.227 -1.301 525 HB2 ASP 80 HB2 ASP 80 -0.686 18.107 -1.381 526 HB3 ASP 80 HB1 ASP 80 -2.000 17.661 -0.300 527 H GLU 81 HN GLU 81 -3.026 15.036 -0.080 528 HA GLU 81 HA GLU 81 -5.239 14.698 0.196 529 HB2 GLU 81 HB2 GLU 81 -5.408 17.200 -1.481 530 HB3 GLU 81 HB1 GLU 81 -6.798 16.446 -0.712 531 HG2 GLU 81 HG2 GLU 81 -4.371 17.533 0.696 532 HG3 GLU 81 HG1 GLU 81 -5.954 18.301 0.604 533 H ASP 82 HN ASP 82 -3.821 13.501 -2.127 534 HA ASP 82 HA ASP 82 -5.938 13.250 -4.100 535 HB2 ASP 82 HB2 ASP 82 -3.073 12.695 -4.035 536 HB3 ASP 82 HB1 ASP 82 -4.000 11.391 -4.776 537 H THR 83 HN THR 83 -7.396 11.678 -4.135 538 HA THR 83 HA THR 83 -7.038 9.457 -2.236 539 HB THR 83 HB THR 83 -9.706 10.493 -3.188 540 HG1 THR 83 HG1 THR 83 -8.114 11.961 -1.876 541 HG21 THR 83 HG21 THR 83 -9.671 8.256 -2.176 542 HG22 THR 83 HG22 THR 83 -10.518 9.409 -1.144 543 HG23 THR 83 HG23 THR 83 -8.872 8.911 -0.748 544 H ILE 84 HN ILE 84 -7.028 7.467 -3.022 545 HA ILE 84 HA ILE 84 -7.700 7.049 -5.841 546 HB ILE 84 HB ILE 84 -6.067 5.469 -3.862 547 HG12 ILE 84 HG12 ILE 84 -5.453 6.591 -6.605 548 HG13 ILE 84 HG11 ILE 84 -5.010 7.344 -5.077 549 HG21 ILE 84 HG21 ILE 84 -7.434 3.844 -5.049 550 HG22 ILE 84 HG22 ILE 84 -5.758 3.742 -5.586 551 HG23 ILE 84 HG23 ILE 84 -6.958 4.548 -6.595 552 HD11 ILE 84 HD11 ILE 84 -3.588 5.434 -4.551 553 HD12 ILE 84 HD12 ILE 84 -3.124 6.193 -6.073 554 HD13 ILE 84 HD13 ILE 84 -4.032 4.682 -6.083 555 H ASP 85 HN ASP 85 -9.408 5.885 -6.468 556 HA ASP 85 HA ASP 85 -11.322 5.027 -4.464 557 HB2 ASP 85 HB2 ASP 85 -11.362 5.456 -7.416 558 HB3 ASP 85 HB1 ASP 85 -12.548 4.352 -6.728 559 H VAL 86 HN VAL 86 -11.917 2.958 -4.028 560 HA VAL 86 HA VAL 86 -10.318 0.842 -5.311 561 HB VAL 86 HB VAL 86 -11.653 0.643 -2.608 562 HG11 VAL 86 HG11 VAL 86 -11.113 -1.472 -3.726 563 HG12 VAL 86 HG12 VAL 86 -10.142 -1.231 -2.276 564 HG13 VAL 86 HG13 VAL 86 -9.431 -0.962 -3.866 565 HG21 VAL 86 HG21 VAL 86 -8.794 1.404 -3.208 566 HG22 VAL 86 HG22 VAL 86 -9.455 1.070 -1.607 567 HG23 VAL 86 HG23 VAL 86 -10.030 2.462 -2.525 568 H PHE 87 HN PHE 87 -11.341 -0.766 -6.333 569 HA PHE 87 HA PHE 87 -14.240 -1.103 -5.942 570 HB2 PHE 87 HB2 PHE 87 -12.727 -0.920 -8.556 571 HB3 PHE 87 HB1 PHE 87 -14.331 -1.630 -8.439 572 HD1 PHE 87 HD1 PHE 87 -16.268 -0.233 -7.888 573 HD2 PHE 87 HD2 PHE 87 -12.397 1.446 -8.455 574 HE1 PHE 87 HE1 PHE 87 -17.276 1.996 -8.154 575 HE2 PHE 87 HE2 PHE 87 -13.400 3.677 -8.718 576 HZ PHE 87 HZ PHE 87 -15.842 3.953 -8.570 577 H GLN 88 HN GLN 88 -14.963 -3.279 -6.869 578 HA GLN 88 HA GLN 88 -12.811 -5.257 -6.523 579 HB2 GLN 88 HB2 GLN 88 -15.507 -5.138 -5.262 580 HB3 GLN 88 HB1 GLN 88 -14.871 -6.719 -5.701 581 HG2 GLN 88 HG2 GLN 88 -12.753 -5.945 -4.433 582 HG3 GLN 88 HG1 GLN 88 -13.834 -4.752 -3.711 583 HE21 GLN 88 HE21 GLN 88 -13.527 -5.705 -1.675 584 HE22 GLN 88 HE22 GLN 88 -14.289 -7.198 -1.243 585 H GLN 89 HN GLN 89 -12.905 -7.117 -7.754 586 HA GLN 89 HA GLN 89 -14.007 -6.838 -10.357 587 HB2 GLN 89 HB2 GLN 89 -11.898 -8.122 -9.537 588 HB3 GLN 89 HB1 GLN 89 -13.019 -9.433 -9.203 589 HG2 GLN 89 HG2 GLN 89 -12.319 -9.993 -11.298 590 HG3 GLN 89 HG1 GLN 89 -13.750 -9.038 -11.679 591 HE21 GLN 89 HE21 GLN 89 -12.860 -8.658 -13.753 592 HE22 GLN 89 HE22 GLN 89 -11.620 -7.475 -13.978 593 H GLN 90 HN GLN 90 -15.547 -8.221 -11.389 594 HA GLN 90 HA GLN 90 -17.841 -8.764 -9.792 595 HB2 GLN 90 HB2 GLN 90 -17.181 -9.234 -12.695 596 HB3 GLN 90 HB1 GLN 90 -18.698 -9.778 -11.994 597 HG2 GLN 90 HG2 GLN 90 -19.136 -7.702 -13.026 598 HG3 GLN 90 HG1 GLN 90 -19.105 -7.399 -11.290 599 HE21 GLN 90 HE21 GLN 90 -18.623 -5.246 -11.490 600 HE22 GLN 90 HE22 GLN 90 -17.092 -4.668 -12.049 601 H THR 91 HN THR 91 -18.707 -10.700 -9.152 602 HA THR 91 HA THR 91 -16.879 -12.860 -8.773 603 HB THR 91 HB THR 91 -19.148 -13.976 -7.973 604 HG1 THR 91 HG1 THR 91 -20.730 -12.501 -7.527 605 HG21 THR 91 HG21 THR 91 -18.842 -12.924 -5.782 606 HG22 THR 91 HG22 THR 91 -17.856 -11.664 -6.515 607 HG23 THR 91 HG23 THR 91 -17.287 -13.332 -6.501 608 H GLY 92 HN GLY 92 -19.372 -12.101 -11.064 609 HA2 GLY 92 HA2 GLY 92 -18.567 -14.130 -12.857 610 HA3 GLY 92 HA1 GLY 92 -20.033 -14.627 -12.026 611 H1 ASP 195 HN ASP 195 -13.306 5.743 15.769 612 HA ASP 195 HA ASP 195 -15.014 5.437 13.849 613 HB2 ASP 195 HB2 ASP 195 -14.370 8.040 13.439 614 HB3 ASP 195 HB1 ASP 195 -13.238 7.255 12.341 615 H THR 196 HN THR 196 -13.252 5.560 11.400 616 HA THR 196 HA THR 196 -11.313 3.545 12.313 617 HB THR 196 HB THR 196 -11.960 3.411 9.476 618 HG1 THR 196 HG1 THR 196 -13.990 3.159 11.447 619 HG21 THR 196 HG21 THR 196 -12.204 1.015 10.050 620 HG22 THR 196 HG22 THR 196 -12.019 1.431 11.752 621 HG23 THR 196 HG23 THR 196 -10.682 1.698 10.632 622 H ALA 197 HN ALA 197 -9.311 4.151 12.123 623 HA ALA 197 HA ALA 197 -8.504 5.880 9.879 624 HB1 ALA 197 HB1 ALA 197 -6.803 6.875 11.408 625 HB2 ALA 197 HB2 ALA 197 -7.546 5.995 12.741 626 HB3 ALA 197 HB3 ALA 197 -8.467 7.230 11.885 627 H GLY 198 HN GLY 198 -6.947 4.961 8.671 628 HA2 GLY 198 HA2 GLY 198 -5.381 2.784 9.899 629 HA3 GLY 198 HA1 GLY 198 -5.968 2.730 8.234 630 H CYS 199 HN CYS 199 -3.210 3.007 9.799 631 HA CYS 199 HA CYS 199 -2.218 5.061 7.932 632 HB2 CYS 199 HB2 CYS 199 -1.085 4.284 10.631 633 HB3 CYS 199 HB1 CYS 199 -0.375 5.471 9.543 634 HG CYS 199 HG CYS 199 -3.362 6.516 9.871 635 H ILE 200 HN ILE 200 -0.981 4.326 6.393 636 HA ILE 200 HA ILE 200 0.479 1.810 6.812 637 HB ILE 200 HB ILE 200 -1.564 1.579 5.400 638 HG12 ILE 200 HG12 ILE 200 1.006 1.105 3.876 639 HG13 ILE 200 HG11 ILE 200 0.329 0.034 5.100 640 HG21 ILE 200 HG21 ILE 200 -0.111 3.262 3.387 641 HG22 ILE 200 HG22 ILE 200 -1.441 3.829 4.396 642 HG23 ILE 200 HG23 ILE 200 -1.709 2.535 3.227 643 HD11 ILE 200 HD11 ILE 200 -1.107 0.796 2.580 644 HD12 ILE 200 HD12 ILE 200 -1.573 -0.431 3.754 645 HD13 ILE 200 HD13 ILE 200 -0.137 -0.661 2.762 646 H VAL 201 HN VAL 201 2.648 1.991 6.441 647 HA VAL 201 HA VAL 201 3.516 4.293 4.831 648 HB VAL 201 HB VAL 201 4.086 4.799 7.120 649 HG11 VAL 201 HG11 VAL 201 4.078 2.550 8.057 650 HG12 VAL 201 HG12 VAL 201 5.587 3.376 8.435 651 HG13 VAL 201 HG13 VAL 201 5.547 2.160 7.160 652 HG21 VAL 201 HG21 VAL 201 6.453 5.165 6.900 653 HG22 VAL 201 HG22 VAL 201 5.691 5.382 5.324 654 HG23 VAL 201 HG23 VAL 201 6.575 3.899 5.679 655 H ILE 202 HN ILE 202 4.789 3.838 3.151 656 HA ILE 202 HA ILE 202 6.107 1.216 3.149 657 HB ILE 202 HB ILE 202 5.768 0.974 0.767 658 HG12 ILE 202 HG12 ILE 202 4.247 3.584 0.949 659 HG13 ILE 202 HG11 ILE 202 5.725 3.288 0.036 660 HG21 ILE 202 HG21 ILE 202 4.094 0.027 2.219 661 HG22 ILE 202 HG22 ILE 202 3.329 0.622 0.747 662 HG23 ILE 202 HG23 ILE 202 3.205 1.549 2.243 663 HD11 ILE 202 HD11 ILE 202 4.535 2.712 -1.718 664 HD12 ILE 202 HD12 ILE 202 3.051 3.017 -0.814 665 HD13 ILE 202 HD13 ILE 202 3.774 1.410 -0.802 666 H SEP 203 HN SEP 203 8.180 1.198 2.715 667 HA SEP 203 HA SEP 203 9.399 3.692 1.773 668 HB2 SEP 203 HB1 SEP 203 11.478 2.524 3.001 669 HB3 SEP 203 HB2 SEP 203 10.179 1.843 3.983 670 H ASP 204 HN ASP 204 10.712 3.573 0.068 671 HA ASP 204 HA ASP 204 11.122 0.916 -1.133 672 HB2 ASP 204 HB2 ASP 204 9.633 2.793 -2.264 673 HB3 ASP 204 HB1 ASP 204 11.196 3.432 -2.757 674 H SEP 205 HN SEP 205 13.158 0.318 -1.562 675 HA SEP 205 HA SEP 205 15.270 2.316 -1.124 676 HB2 SEP 205 HB1 SEP 205 15.467 0.666 0.564 677 HB3 SEP 205 HB2 SEP 205 16.662 0.191 -0.640 678 H GLU 206 HN GLU 206 16.600 2.755 -2.702 679 HA GLU 206 HA GLU 206 16.258 1.444 -5.264 680 HB2 GLU 206 HB2 GLU 206 16.280 3.915 -5.089 681 HB3 GLU 206 HB1 GLU 206 17.936 3.841 -4.500 682 HG2 GLU 206 HG2 GLU 206 17.843 4.445 -6.850 683 HG3 GLU 206 HG1 GLU 206 18.670 2.909 -6.608 Start of MODEL 7 1 H1 ASP 16 HN ASP 16 10.185 15.443 -0.185 2 HA ASP 16 HA ASP 16 9.908 14.800 2.639 3 HB2 ASP 16 HB2 ASP 16 8.263 16.868 1.216 4 HB3 ASP 16 HB1 ASP 16 7.551 15.922 2.517 5 H HIS 17 HN HIS 17 7.361 14.050 2.800 6 HA HIS 17 HA HIS 17 7.113 11.977 0.726 7 HB2 HIS 17 HB2 HIS 17 6.263 12.091 3.612 8 HB3 HIS 17 HB1 HIS 17 5.571 10.915 2.503 9 HD2 HIS 17 HD2 HIS 17 7.018 8.679 2.133 10 HE1 HIS 17 HE1 HIS 17 10.483 9.981 4.180 11 HE2 HIS 17 HE2 HIS 17 9.339 7.995 3.086 12 H ILE 18 HN ILE 18 4.945 11.381 0.051 13 HA ILE 18 HA ILE 18 3.125 13.692 0.098 14 HB ILE 18 HB ILE 18 3.967 13.029 -2.151 15 HG12 ILE 18 HG12 ILE 18 1.001 12.569 -1.788 16 HG13 ILE 18 HG11 ILE 18 1.774 14.149 -1.834 17 HG21 ILE 18 HG21 ILE 18 3.133 10.981 -3.200 18 HG22 ILE 18 HG22 ILE 18 2.426 10.485 -1.661 19 HG23 ILE 18 HG23 ILE 18 4.178 10.634 -1.823 20 HD11 ILE 18 HD11 ILE 18 2.516 13.704 -4.124 21 HD12 ILE 18 HD12 ILE 18 0.761 13.624 -3.965 22 HD13 ILE 18 HD13 ILE 18 1.706 12.139 -4.072 23 H ASN 19 HN ASN 19 1.041 13.430 0.812 24 HA ASN 19 HA ASN 19 0.474 10.860 2.105 25 HB2 ASN 19 HB2 ASN 19 -0.895 13.538 2.463 26 HB3 ASN 19 HB1 ASN 19 -1.200 12.081 3.406 27 HD21 ASN 19 HD21 ASN 19 0.962 14.716 2.808 28 HD22 ASN 19 HD22 ASN 19 1.974 14.469 4.194 29 H LEU 20 HN LEU 20 -0.604 9.496 0.855 30 HA LEU 20 HA LEU 20 -2.661 10.555 -0.955 31 HB2 LEU 20 HB2 LEU 20 -1.412 7.807 -0.855 32 HB3 LEU 20 HB1 LEU 20 -2.549 8.379 -2.064 33 HG LEU 20 HG LEU 20 0.208 9.534 -1.619 34 HD11 LEU 20 HD11 LEU 20 0.778 8.425 -3.738 35 HD12 LEU 20 HD12 LEU 20 -0.794 7.627 -3.724 36 HD13 LEU 20 HD13 LEU 20 0.384 7.275 -2.460 37 HD21 LEU 20 HD21 LEU 20 -1.892 10.034 -3.719 38 HD22 LEU 20 HD22 LEU 20 -0.224 10.594 -3.826 39 HD23 LEU 20 HD23 LEU 20 -1.269 11.181 -2.534 40 H LYS 21 HN LYS 21 -4.777 10.113 -0.674 41 HA LYS 21 HA LYS 21 -5.503 8.650 1.762 42 HB2 LYS 21 HB2 LYS 21 -7.072 10.577 0.044 43 HB3 LYS 21 HB1 LYS 21 -7.728 9.743 1.444 44 HG2 LYS 21 HG2 LYS 21 -6.189 10.881 2.904 45 HG3 LYS 21 HG1 LYS 21 -5.384 11.630 1.520 46 HD2 LYS 21 HD2 LYS 21 -7.467 12.794 0.952 47 HD3 LYS 21 HD1 LYS 21 -8.257 12.054 2.344 48 HE2 LYS 21 HE2 LYS 21 -6.871 13.239 3.864 49 HE3 LYS 21 HE1 LYS 21 -5.800 13.772 2.569 50 HZ1 LYS 21 HZ1 LYS 21 -8.550 14.682 3.160 51 HZ2 LYS 21 HZ2 LYS 21 -7.833 14.949 1.658 52 HZ3 LYS 21 HZ3 LYS 21 -7.136 15.611 3.052 53 H VAL 22 HN VAL 22 -6.054 6.610 1.523 54 HA VAL 22 HA VAL 22 -7.283 5.724 -0.989 55 HB VAL 22 HB VAL 22 -6.066 4.166 1.295 56 HG11 VAL 22 HG11 VAL 22 -6.457 2.148 -0.014 57 HG12 VAL 22 HG12 VAL 22 -7.313 3.097 -1.233 58 HG13 VAL 22 HG13 VAL 22 -7.978 2.945 0.396 59 HG21 VAL 22 HG21 VAL 22 -4.456 5.250 -0.176 60 HG22 VAL 22 HG22 VAL 22 -5.212 4.490 -1.575 61 HG23 VAL 22 HG23 VAL 22 -4.405 3.499 -0.362 62 H ALA 23 HN ALA 23 -9.441 5.771 -1.013 63 HA ALA 23 HA ALA 23 -10.860 5.443 1.538 64 HB1 ALA 23 HB1 ALA 23 -11.879 6.633 -1.037 65 HB2 ALA 23 HB2 ALA 23 -11.252 7.547 0.332 66 HB3 ALA 23 HB3 ALA 23 -12.723 6.594 0.510 67 H GLY 24 HN GLY 24 -11.849 3.596 1.919 68 HA2 GLY 24 HA2 GLY 24 -12.297 1.713 -0.256 69 HA3 GLY 24 HA1 GLY 24 -12.472 1.381 1.463 70 H GLN 25 HN GLN 25 -14.400 0.432 -0.150 71 HA GLN 25 HA GLN 25 -16.571 2.310 -0.435 72 HB2 GLN 25 HB2 GLN 25 -16.524 -0.700 -0.744 73 HB3 GLN 25 HB1 GLN 25 -17.854 0.352 -1.210 74 HG2 GLN 25 HG2 GLN 25 -15.079 0.447 -2.375 75 HG3 GLN 25 HG1 GLN 25 -16.468 -0.345 -3.114 76 HE21 GLN 25 HE21 GLN 25 -14.800 1.853 -4.079 77 HE22 GLN 25 HE22 GLN 25 -15.887 3.170 -4.383 78 H ASP 26 HN ASP 26 -15.290 0.691 2.145 79 HA ASP 26 HA ASP 26 -17.846 0.221 3.490 80 HB2 ASP 26 HB2 ASP 26 -16.586 -0.946 5.170 81 HB3 ASP 26 HB1 ASP 26 -16.015 -1.487 3.596 82 H GLY 27 HN GLY 27 -15.449 2.604 3.207 83 HA2 GLY 27 HA2 GLY 27 -15.977 4.795 4.110 84 HA3 GLY 27 HA1 GLY 27 -16.593 3.993 5.543 85 H SER 28 HN SER 28 -13.898 2.280 4.942 86 HA SER 28 HA SER 28 -12.427 3.751 6.951 87 HB2 SER 28 HB2 SER 28 -10.786 1.877 6.765 88 HB3 SER 28 HB1 SER 28 -12.425 1.345 7.132 89 HG SER 28 HG SER 28 -12.670 0.669 5.022 90 H VAL 29 HN VAL 29 -10.635 4.977 6.644 91 HA VAL 29 HA VAL 29 -9.728 5.299 3.863 92 HB VAL 29 HB VAL 29 -10.879 7.303 4.665 93 HG11 VAL 29 HG11 VAL 29 -8.808 7.336 6.854 94 HG12 VAL 29 HG12 VAL 29 -10.546 7.120 7.042 95 HG13 VAL 29 HG13 VAL 29 -9.907 8.663 6.482 96 HG21 VAL 29 HG21 VAL 29 -9.095 8.950 4.235 97 HG22 VAL 29 HG22 VAL 29 -9.078 7.614 3.084 98 HG23 VAL 29 HG23 VAL 29 -7.898 7.667 4.394 99 H VAL 30 HN VAL 30 -7.604 5.140 3.428 100 HA VAL 30 HA VAL 30 -5.812 4.659 5.716 101 HB VAL 30 HB VAL 30 -5.782 3.421 2.965 102 HG11 VAL 30 HG11 VAL 30 -3.700 3.193 5.133 103 HG12 VAL 30 HG12 VAL 30 -3.493 3.971 3.564 104 HG13 VAL 30 HG13 VAL 30 -3.752 2.230 3.656 105 HG21 VAL 30 HG21 VAL 30 -7.310 2.411 4.584 106 HG22 VAL 30 HG22 VAL 30 -5.975 2.213 5.718 107 HG23 VAL 30 HG23 VAL 30 -5.978 1.323 4.195 108 H GLN 31 HN GLN 31 -4.144 5.955 5.966 109 HA GLN 31 HA GLN 31 -3.586 7.993 3.950 110 HB2 GLN 31 HB2 GLN 31 -3.858 8.601 6.372 111 HB3 GLN 31 HB1 GLN 31 -2.403 7.680 6.720 112 HG2 GLN 31 HG2 GLN 31 -1.239 9.201 5.040 113 HG3 GLN 31 HG1 GLN 31 -2.673 10.222 5.152 114 HE21 GLN 31 HE21 GLN 31 0.078 10.796 5.915 115 HE22 GLN 31 HE22 GLN 31 0.041 11.192 7.599 116 H PHE 32 HN PHE 32 -2.293 7.252 2.389 117 HA PHE 32 HA PHE 32 -0.135 5.405 3.015 118 HB2 PHE 32 HB2 PHE 32 -1.674 6.120 0.654 119 HB3 PHE 32 HB1 PHE 32 0.055 6.071 0.321 120 HD1 PHE 32 HD1 PHE 32 -2.904 4.141 1.132 121 HD2 PHE 32 HD2 PHE 32 1.321 3.996 0.646 122 HE1 PHE 32 HE1 PHE 32 -3.012 1.691 0.969 123 HE2 PHE 32 HE2 PHE 32 1.223 1.546 0.478 124 HZ PHE 32 HZ PHE 32 -0.946 0.390 0.639 125 H LYS 33 HN LYS 33 1.752 6.141 3.618 126 HA LYS 33 HA LYS 33 2.618 8.810 2.761 127 HB2 LYS 33 HB2 LYS 33 2.651 8.496 5.160 128 HB3 LYS 33 HB1 LYS 33 3.561 7.003 4.996 129 HG2 LYS 33 HG2 LYS 33 5.445 8.313 4.064 130 HG3 LYS 33 HG1 LYS 33 4.533 9.786 4.398 131 HD2 LYS 33 HD2 LYS 33 4.646 9.455 6.721 132 HD3 LYS 33 HD1 LYS 33 5.115 7.761 6.540 133 HE2 LYS 33 HE2 LYS 33 7.229 8.584 5.448 134 HE3 LYS 33 HE1 LYS 33 6.769 10.208 5.958 135 HZ1 LYS 33 HZ1 LYS 33 8.319 9.010 7.477 136 HZ2 LYS 33 HZ2 LYS 33 7.063 7.937 7.838 137 HZ3 LYS 33 HZ3 LYS 33 6.907 9.575 8.219 138 H ILE 34 HN ILE 34 3.540 8.578 0.806 139 HA ILE 34 HA ILE 34 5.846 6.768 0.616 140 HB ILE 34 HB ILE 34 5.091 5.560 -1.132 141 HG12 ILE 34 HG12 ILE 34 3.628 7.995 -2.181 142 HG13 ILE 34 HG11 ILE 34 5.196 7.400 -2.721 143 HG21 ILE 34 HG21 ILE 34 3.239 5.393 0.472 144 HG22 ILE 34 HG22 ILE 34 2.695 5.172 -1.193 145 HG23 ILE 34 HG23 ILE 34 2.409 6.703 -0.366 146 HD11 ILE 34 HD11 ILE 34 2.535 6.042 -3.058 147 HD12 ILE 34 HD12 ILE 34 4.090 5.325 -3.487 148 HD13 ILE 34 HD13 ILE 34 3.528 6.776 -4.317 149 H LYS 35 HN LYS 35 7.158 7.368 -1.467 150 HA LYS 35 HA LYS 35 7.272 10.299 -1.578 151 HB2 LYS 35 HB2 LYS 35 9.316 8.190 -2.299 152 HB3 LYS 35 HB1 LYS 35 9.546 9.907 -2.598 153 HG2 LYS 35 HG2 LYS 35 9.347 10.344 -0.191 154 HG3 LYS 35 HG1 LYS 35 9.152 8.617 0.096 155 HD2 LYS 35 HD2 LYS 35 11.422 8.519 -1.283 156 HD3 LYS 35 HD1 LYS 35 11.575 10.159 -0.651 157 HE2 LYS 35 HE2 LYS 35 12.590 8.962 1.023 158 HE3 LYS 35 HE1 LYS 35 10.933 9.018 1.620 159 HZ1 LYS 35 HZ1 LYS 35 10.733 6.813 0.298 160 HZ2 LYS 35 HZ2 LYS 35 11.418 6.804 1.843 161 HZ3 LYS 35 HZ3 LYS 35 12.413 6.757 0.470 162 H ARG 36 HN ARG 36 7.777 11.292 -3.716 163 HA ARG 36 HA ARG 36 5.868 10.498 -5.627 164 HB2 ARG 36 HB2 ARG 36 8.151 12.454 -5.767 165 HB3 ARG 36 HB1 ARG 36 7.048 12.191 -7.115 166 HG2 ARG 36 HG2 ARG 36 5.163 12.774 -5.580 167 HG3 ARG 36 HG1 ARG 36 6.366 13.219 -4.369 168 HD2 ARG 36 HD2 ARG 36 5.912 15.250 -5.359 169 HD3 ARG 36 HD1 ARG 36 7.330 14.719 -6.261 170 HE ARG 36 HE ARG 36 6.027 14.484 -8.151 171 HH11 ARG 36 HH11 ARG 36 3.979 15.093 -5.367 172 HH12 ARG 36 HH12 ARG 36 2.553 15.367 -6.325 173 HH21 ARG 36 HH21 ARG 36 4.140 14.895 -9.415 174 HH22 ARG 36 HH22 ARG 36 2.650 15.267 -8.599 175 H HIS 37 HN HIS 37 9.193 9.593 -5.245 176 HA HIS 37 HA HIS 37 9.331 8.514 -7.943 177 HB2 HIS 37 HB2 HIS 37 11.645 8.070 -7.525 178 HB3 HIS 37 HB1 HIS 37 11.301 9.670 -6.883 179 HD2 HIS 37 HD2 HIS 37 11.835 10.026 -4.237 180 HE1 HIS 37 HE1 HIS 37 12.920 6.009 -3.446 181 HE2 HIS 37 HE2 HIS 37 12.883 8.373 -2.528 182 H THR 38 HN THR 38 7.859 7.524 -5.284 183 HA THR 38 HA THR 38 8.749 4.747 -5.320 184 HB THR 38 HB THR 38 6.630 6.021 -3.587 185 HG1 THR 38 HG1 THR 38 9.309 6.333 -3.582 186 HG21 THR 38 HG21 THR 38 8.157 3.427 -3.445 187 HG22 THR 38 HG22 THR 38 6.412 3.657 -3.531 188 HG23 THR 38 HG23 THR 38 7.290 4.107 -2.070 189 HA PRO 39 HA PRO 39 5.643 3.797 -8.417 190 HB2 PRO 39 HB2 PRO 39 6.202 1.056 -7.409 191 HB3 PRO 39 HB1 PRO 39 6.213 1.672 -9.067 192 HG2 PRO 39 HG2 PRO 39 8.493 1.173 -7.821 193 HG3 PRO 39 HG1 PRO 39 8.319 2.596 -8.868 194 HD2 PRO 39 HD2 PRO 39 8.323 2.439 -5.890 195 HD3 PRO 39 HD1 PRO 39 9.019 3.671 -6.960 196 H LEU 40 HN LEU 40 3.495 3.453 -8.369 197 HA LEU 40 HA LEU 40 2.191 3.277 -5.826 198 HB2 LEU 40 HB2 LEU 40 1.044 3.223 -8.619 199 HB3 LEU 40 HB1 LEU 40 0.116 3.426 -7.144 200 HG LEU 40 HG LEU 40 2.278 5.360 -7.967 201 HD11 LEU 40 HD11 LEU 40 0.718 5.409 -9.762 202 HD12 LEU 40 HD12 LEU 40 0.375 6.801 -8.734 203 HD13 LEU 40 HD13 LEU 40 -0.653 5.370 -8.655 204 HD21 LEU 40 HD21 LEU 40 -0.025 5.480 -6.025 205 HD22 LEU 40 HD22 LEU 40 0.973 6.865 -6.474 206 HD23 LEU 40 HD23 LEU 40 1.699 5.486 -5.644 207 H SER 41 HN SER 41 3.491 0.991 -7.826 208 HA SER 41 HA SER 41 1.614 -1.080 -7.826 209 HB2 SER 41 HB2 SER 41 4.397 -1.941 -7.546 210 HB3 SER 41 HB1 SER 41 3.270 -2.186 -8.884 211 HG SER 41 HG SER 41 4.101 -0.526 -9.882 212 H LYS 42 HN LYS 42 4.072 -0.143 -5.458 213 HA LYS 42 HA LYS 42 3.669 -2.351 -3.716 214 HB2 LYS 42 HB2 LYS 42 4.494 0.178 -2.445 215 HB3 LYS 42 HB1 LYS 42 5.240 -1.406 -2.375 216 HG2 LYS 42 HG2 LYS 42 6.356 -1.041 -4.456 217 HG3 LYS 42 HG1 LYS 42 5.485 0.471 -4.710 218 HD2 LYS 42 HD2 LYS 42 7.638 1.074 -3.933 219 HD3 LYS 42 HD1 LYS 42 6.543 1.304 -2.566 220 HE2 LYS 42 HE2 LYS 42 8.407 0.228 -1.647 221 HE3 LYS 42 HE1 LYS 42 7.222 -1.059 -1.862 222 HZ1 LYS 42 HZ1 LYS 42 9.444 -0.469 -3.750 223 HZ2 LYS 42 HZ2 LYS 42 8.355 -1.762 -3.849 224 HZ3 LYS 42 HZ3 LYS 42 9.467 -1.691 -2.575 225 H LEU 43 HN LEU 43 2.211 0.786 -4.092 226 HA LEU 43 HA LEU 43 0.767 0.959 -1.694 227 HB2 LEU 43 HB2 LEU 43 1.170 2.780 -3.381 228 HB3 LEU 43 HB1 LEU 43 -0.038 2.026 -4.401 229 HG LEU 43 HG LEU 43 -0.883 2.712 -1.650 230 HD11 LEU 43 HD11 LEU 43 0.433 4.669 -2.219 231 HD12 LEU 43 HD12 LEU 43 -1.289 5.051 -2.273 232 HD13 LEU 43 HD13 LEU 43 -0.393 4.796 -3.772 233 HD21 LEU 43 HD21 LEU 43 -2.166 3.092 -4.354 234 HD22 LEU 43 HD22 LEU 43 -2.948 3.284 -2.786 235 HD23 LEU 43 HD23 LEU 43 -2.399 1.693 -3.308 236 H MET 44 HN MET 44 -0.074 -0.435 -4.835 237 HA MET 44 HA MET 44 -2.719 -1.167 -4.096 238 HB2 MET 44 HB2 MET 44 -0.932 -2.222 -6.296 239 HB3 MET 44 HB1 MET 44 -2.644 -2.584 -6.135 240 HG2 MET 44 HG2 MET 44 -3.081 -0.119 -6.292 241 HG3 MET 44 HG1 MET 44 -1.380 0.083 -6.706 242 HE1 MET 44 HE1 MET 44 -1.117 -1.840 -10.101 243 HE2 MET 44 HE2 MET 44 -0.747 -2.433 -8.482 244 HE3 MET 44 HE3 MET 44 -0.275 -0.798 -8.952 245 H LYS 45 HN LYS 45 0.356 -2.932 -4.215 246 HA LYS 45 HA LYS 45 -0.715 -5.436 -3.461 247 HB2 LYS 45 HB2 LYS 45 2.084 -4.331 -3.280 248 HB3 LYS 45 HB1 LYS 45 1.676 -5.994 -2.882 249 HG2 LYS 45 HG2 LYS 45 0.677 -6.096 -5.248 250 HG3 LYS 45 HG1 LYS 45 1.608 -4.625 -5.543 251 HD2 LYS 45 HD2 LYS 45 2.801 -7.188 -4.493 252 HD3 LYS 45 HD1 LYS 45 2.758 -6.756 -6.202 253 HE2 LYS 45 HE2 LYS 45 4.023 -4.694 -5.670 254 HE3 LYS 45 HE1 LYS 45 4.139 -5.231 -3.994 255 HZ1 LYS 45 HZ1 LYS 45 5.208 -6.725 -6.331 256 HZ2 LYS 45 HZ2 LYS 45 5.387 -7.148 -4.702 257 HZ3 LYS 45 HZ3 LYS 45 6.132 -5.755 -5.300 258 H ALA 46 HN ALA 46 0.966 -2.950 -1.524 259 HA ALA 46 HA ALA 46 0.972 -4.290 0.914 260 HB1 ALA 46 HB1 ALA 46 2.234 -2.239 0.488 261 HB2 ALA 46 HB2 ALA 46 1.263 -2.112 1.955 262 HB3 ALA 46 HB3 ALA 46 0.731 -1.317 0.472 263 H TYR 47 HN TYR 47 -1.501 -2.074 -0.371 264 HA TYR 47 HA TYR 47 -3.179 -2.181 1.886 265 HB2 TYR 47 HB2 TYR 47 -3.386 -0.431 0.203 266 HB3 TYR 47 HB1 TYR 47 -3.862 -1.621 -1.007 267 HD1 TYR 47 HD1 TYR 47 -6.116 -2.030 -1.374 268 HD2 TYR 47 HD2 TYR 47 -4.924 -0.241 2.297 269 HE1 TYR 47 HE1 TYR 47 -8.477 -1.671 -0.791 270 HE2 TYR 47 HE2 TYR 47 -7.281 0.116 2.894 271 HH TYR 47 HH TYR 47 -9.871 -1.288 1.080 272 H CYS 48 HN CYS 48 -3.110 -4.128 -1.081 273 HA CYS 48 HA CYS 48 -5.411 -5.648 -0.521 274 HB2 CYS 48 HB2 CYS 48 -2.973 -6.318 -2.178 275 HB3 CYS 48 HB1 CYS 48 -4.429 -7.307 -2.131 276 HG CYS 48 HG CYS 48 -3.958 -4.262 -3.555 277 H GLU 49 HN GLU 49 -2.027 -6.059 0.351 278 HA GLU 49 HA GLU 49 -2.220 -8.652 1.429 279 HB2 GLU 49 HB2 GLU 49 -0.323 -6.374 1.986 280 HB3 GLU 49 HB1 GLU 49 -0.147 -7.961 2.719 281 HG2 GLU 49 HG2 GLU 49 -0.046 -7.315 -0.219 282 HG3 GLU 49 HG1 GLU 49 1.306 -7.779 0.815 283 H ARG 50 HN ARG 50 -2.730 -5.460 2.822 284 HA ARG 50 HA ARG 50 -3.030 -6.371 5.495 285 HB2 ARG 50 HB2 ARG 50 -3.838 -3.828 4.099 286 HB3 ARG 50 HB1 ARG 50 -4.177 -4.111 5.801 287 HG2 ARG 50 HG2 ARG 50 -1.606 -4.646 5.891 288 HG3 ARG 50 HG1 ARG 50 -1.577 -3.650 4.435 289 HD2 ARG 50 HD2 ARG 50 -2.485 -1.791 5.592 290 HD3 ARG 50 HD1 ARG 50 -2.861 -2.769 7.007 291 HE ARG 50 HE ARG 50 -0.103 -2.903 6.560 292 HH11 ARG 50 HH11 ARG 50 -1.407 0.396 8.443 293 HH12 ARG 50 HH12 ARG 50 -2.519 -0.551 7.507 294 HH21 ARG 50 HH21 ARG 50 1.350 -1.668 7.803 295 HH22 ARG 50 HH22 ARG 50 0.797 -0.235 8.612 296 H GLN 51 HN GLN 51 -5.231 -5.949 2.798 297 HA GLN 51 HA GLN 51 -7.591 -6.404 4.367 298 HB2 GLN 51 HB2 GLN 51 -7.233 -6.612 1.369 299 HB3 GLN 51 HB1 GLN 51 -8.764 -6.507 2.228 300 HG2 GLN 51 HG2 GLN 51 -6.658 -4.378 1.965 301 HG3 GLN 51 HG1 GLN 51 -8.288 -4.371 1.300 302 HE21 GLN 51 HE21 GLN 51 -10.049 -4.068 2.707 303 HE22 GLN 51 HE22 GLN 51 -9.845 -3.320 4.252 304 H GLY 52 HN GLY 52 -5.365 -8.334 2.489 305 HA2 GLY 52 HA2 GLY 52 -4.959 -10.621 2.982 306 HA3 GLY 52 HA1 GLY 52 -6.600 -10.753 3.596 307 H LEU 53 HN LEU 53 -6.417 -9.054 0.667 308 HA LEU 53 HA LEU 53 -7.268 -11.477 -0.778 309 HB2 LEU 53 HB2 LEU 53 -8.111 -8.619 -1.261 310 HB3 LEU 53 HB1 LEU 53 -8.631 -10.005 -2.201 311 HG LEU 53 HG LEU 53 -9.249 -9.547 0.722 312 HD11 LEU 53 HD11 LEU 53 -10.892 -9.184 -1.774 313 HD12 LEU 53 HD12 LEU 53 -10.484 -7.977 -0.554 314 HD13 LEU 53 HD13 LEU 53 -11.586 -9.294 -0.155 315 HD21 LEU 53 HD21 LEU 53 -9.121 -11.906 0.237 316 HD22 LEU 53 HD22 LEU 53 -10.128 -11.705 -1.197 317 HD23 LEU 53 HD23 LEU 53 -10.812 -11.441 0.407 318 H SER 54 HN SER 54 -6.880 -11.432 -3.118 319 HA SER 54 HA SER 54 -4.165 -10.682 -3.663 320 HB2 SER 54 HB2 SER 54 -5.029 -12.789 -4.529 321 HB3 SER 54 HB1 SER 54 -6.294 -11.943 -5.416 322 HG SER 54 HG SER 54 -3.748 -12.442 -6.141 323 H MET 55 HN MET 55 -3.489 -9.371 -5.470 324 HA MET 55 HA MET 55 -4.897 -6.903 -5.619 325 HB2 MET 55 HB2 MET 55 -2.344 -7.379 -5.808 326 HB3 MET 55 HB1 MET 55 -2.690 -7.664 -7.507 327 HG2 MET 55 HG2 MET 55 -3.628 -5.405 -7.683 328 HG3 MET 55 HG1 MET 55 -3.240 -5.124 -5.987 329 HE1 MET 55 HE1 MET 55 -1.284 -6.834 -8.995 330 HE2 MET 55 HE2 MET 55 -0.228 -5.495 -9.453 331 HE3 MET 55 HE3 MET 55 -1.977 -5.338 -9.626 332 H ARG 56 HN ARG 56 -5.279 -9.803 -7.258 333 HA ARG 56 HA ARG 56 -6.245 -8.594 -9.723 334 HB2 ARG 56 HB2 ARG 56 -4.962 -10.753 -9.720 335 HB3 ARG 56 HB1 ARG 56 -6.319 -11.505 -8.891 336 HG2 ARG 56 HG2 ARG 56 -7.732 -11.255 -10.757 337 HG3 ARG 56 HG1 ARG 56 -6.628 -10.125 -11.538 338 HD2 ARG 56 HD2 ARG 56 -4.983 -11.953 -11.769 339 HD3 ARG 56 HD1 ARG 56 -6.155 -13.067 -11.071 340 HE ARG 56 HE ARG 56 -7.596 -12.293 -13.054 341 HH11 ARG 56 HH11 ARG 56 -4.122 -12.703 -13.128 342 HH12 ARG 56 HH12 ARG 56 -4.069 -13.061 -14.824 343 HH21 ARG 56 HH21 ARG 56 -7.536 -12.731 -15.294 344 HH22 ARG 56 HH22 ARG 56 -6.015 -13.071 -16.059 345 H GLN 57 HN GLN 57 -7.423 -9.158 -6.674 346 HA GLN 57 HA GLN 57 -10.173 -9.611 -7.577 347 HB2 GLN 57 HB2 GLN 57 -9.080 -10.969 -5.687 348 HB3 GLN 57 HB1 GLN 57 -9.252 -9.513 -4.712 349 HG2 GLN 57 HG2 GLN 57 -11.651 -9.550 -5.027 350 HG3 GLN 57 HG1 GLN 57 -11.509 -10.952 -6.085 351 HE21 GLN 57 HE21 GLN 57 -13.014 -10.686 -3.659 352 HE22 GLN 57 HE22 GLN 57 -12.422 -11.888 -2.567 353 H ILE 58 HN ILE 58 -8.116 -7.298 -5.929 354 HA ILE 58 HA ILE 58 -10.385 -5.465 -5.635 355 HB ILE 58 HB ILE 58 -7.571 -5.114 -4.581 356 HG12 ILE 58 HG12 ILE 58 -10.036 -6.049 -3.089 357 HG13 ILE 58 HG11 ILE 58 -8.738 -7.108 -3.623 358 HG21 ILE 58 HG21 ILE 58 -8.745 -3.488 -3.052 359 HG22 ILE 58 HG22 ILE 58 -10.156 -3.651 -4.096 360 HG23 ILE 58 HG23 ILE 58 -8.649 -3.006 -4.746 361 HD11 ILE 58 HD11 ILE 58 -8.402 -4.818 -1.702 362 HD12 ILE 58 HD12 ILE 58 -7.175 -5.993 -2.169 363 HD13 ILE 58 HD13 ILE 58 -8.584 -6.510 -1.243 364 H ARG 59 HN ARG 59 -10.626 -3.751 -6.919 365 HA ARG 59 HA ARG 59 -8.524 -3.230 -8.913 366 HB2 ARG 59 HB2 ARG 59 -11.504 -2.736 -8.985 367 HB3 ARG 59 HB1 ARG 59 -10.391 -2.144 -10.211 368 HG2 ARG 59 HG2 ARG 59 -10.791 -5.045 -9.508 369 HG3 ARG 59 HG1 ARG 59 -11.544 -4.215 -10.871 370 HD2 ARG 59 HD2 ARG 59 -9.434 -3.827 -11.900 371 HD3 ARG 59 HD1 ARG 59 -8.567 -4.360 -10.463 372 HE ARG 59 HE ARG 59 -10.288 -6.308 -11.796 373 HH11 ARG 59 HH11 ARG 59 -7.066 -5.096 -11.165 374 HH12 ARG 59 HH12 ARG 59 -6.274 -6.544 -11.690 375 HH21 ARG 59 HH21 ARG 59 -9.240 -8.234 -12.492 376 HH22 ARG 59 HH22 ARG 59 -7.509 -8.330 -12.439 377 H PHE 60 HN PHE 60 -7.748 -1.164 -9.219 378 HA PHE 60 HA PHE 60 -8.719 0.856 -7.313 379 HB2 PHE 60 HB2 PHE 60 -5.857 0.428 -8.189 380 HB3 PHE 60 HB1 PHE 60 -6.421 1.667 -7.076 381 HD1 PHE 60 HD1 PHE 60 -5.378 -1.756 -7.456 382 HD2 PHE 60 HD2 PHE 60 -7.353 0.978 -4.857 383 HE1 PHE 60 HE1 PHE 60 -5.044 -3.307 -5.574 384 HE2 PHE 60 HE2 PHE 60 -7.021 -0.566 -2.974 385 HZ PHE 60 HZ PHE 60 -5.865 -2.713 -3.330 386 H ARG 61 HN ARG 61 -9.168 2.816 -8.106 387 HA ARG 61 HA ARG 61 -8.241 3.464 -10.818 388 HB2 ARG 61 HB2 ARG 61 -11.051 3.655 -9.745 389 HB3 ARG 61 HB1 ARG 61 -10.515 4.627 -11.110 390 HG2 ARG 61 HG2 ARG 61 -9.764 2.329 -12.088 391 HG3 ARG 61 HG1 ARG 61 -10.916 1.675 -10.924 392 HD2 ARG 61 HD2 ARG 61 -11.831 3.930 -12.617 393 HD3 ARG 61 HD1 ARG 61 -11.599 2.374 -13.412 394 HE ARG 61 HE ARG 61 -13.108 1.525 -11.515 395 HH11 ARG 61 HH11 ARG 61 -15.083 4.809 -12.729 396 HH12 ARG 61 HH12 ARG 61 -13.384 4.672 -13.040 397 HH21 ARG 61 HH21 ARG 61 -15.347 1.691 -11.141 398 HH22 ARG 61 HH22 ARG 61 -16.202 3.114 -11.653 399 H PHE 62 HN PHE 62 -7.715 5.592 -11.170 400 HA PHE 62 HA PHE 62 -8.097 7.472 -8.959 401 HB2 PHE 62 HB2 PHE 62 -5.890 6.525 -8.563 402 HB3 PHE 62 HB1 PHE 62 -5.425 6.832 -10.233 403 HD1 PHE 62 HD1 PHE 62 -6.511 8.554 -7.128 404 HD2 PHE 62 HD2 PHE 62 -4.379 8.825 -10.800 405 HE1 PHE 62 HE1 PHE 62 -5.685 10.779 -6.482 406 HE2 PHE 62 HE2 PHE 62 -3.549 11.048 -10.156 407 HZ PHE 62 HZ PHE 62 -4.202 12.026 -7.995 408 H ASP 63 HN ASP 63 -8.670 9.423 -9.638 409 HA ASP 63 HA ASP 63 -9.076 11.229 -10.950 410 HB2 ASP 63 HB2 ASP 63 -6.593 11.009 -11.416 411 HB3 ASP 63 HB1 ASP 63 -7.021 10.135 -12.881 412 H GLY 64 HN GLY 64 -10.051 8.297 -11.506 413 HA2 GLY 64 HA2 GLY 64 -12.144 7.987 -12.676 414 HA3 GLY 64 HA1 GLY 64 -11.528 9.030 -13.949 415 H GLN 65 HN GLN 65 -8.878 7.702 -13.881 416 HA GLN 65 HA GLN 65 -9.662 5.368 -15.484 417 HB2 GLN 65 HB2 GLN 65 -7.072 6.928 -15.475 418 HB3 GLN 65 HB1 GLN 65 -7.453 5.585 -16.545 419 HG2 GLN 65 HG2 GLN 65 -8.911 8.222 -16.456 420 HG3 GLN 65 HG1 GLN 65 -7.714 7.747 -17.659 421 HE21 GLN 65 HE21 GLN 65 -10.561 8.484 -17.915 422 HE22 GLN 65 HE22 GLN 65 -11.308 7.157 -18.736 423 HA PRO 66 HA PRO 66 -7.806 2.536 -12.638 424 HB2 PRO 66 HB2 PRO 66 -6.771 0.928 -14.852 425 HB3 PRO 66 HB1 PRO 66 -8.045 0.540 -13.694 426 HG2 PRO 66 HG2 PRO 66 -8.583 1.020 -16.283 427 HG3 PRO 66 HG1 PRO 66 -9.704 1.453 -14.976 428 HD2 PRO 66 HD2 PRO 66 -7.815 3.206 -16.497 429 HD3 PRO 66 HD1 PRO 66 -9.485 3.523 -15.980 430 H ILE 67 HN ILE 67 -5.818 1.761 -11.834 431 HA ILE 67 HA ILE 67 -3.526 3.321 -12.750 432 HB ILE 67 HB ILE 67 -3.732 1.615 -10.268 433 HG12 ILE 67 HG12 ILE 67 -4.136 4.601 -10.408 434 HG13 ILE 67 HG11 ILE 67 -5.479 3.463 -10.473 435 HG21 ILE 67 HG21 ILE 67 -1.900 3.019 -9.453 436 HG22 ILE 67 HG22 ILE 67 -1.887 3.891 -10.987 437 HG23 ILE 67 HG23 ILE 67 -1.457 2.181 -10.940 438 HD11 ILE 67 HD11 ILE 67 -4.901 2.625 -8.277 439 HD12 ILE 67 HD12 ILE 67 -5.132 4.373 -8.234 440 HD13 ILE 67 HD13 ILE 67 -3.502 3.697 -8.218 441 H ASN 68 HN ASN 68 -1.665 2.452 -13.511 442 HA ASN 68 HA ASN 68 -1.747 -0.365 -14.290 443 HB2 ASN 68 HB2 ASN 68 -0.990 1.781 -15.699 444 HB3 ASN 68 HB1 ASN 68 0.562 1.398 -14.963 445 HD21 ASN 68 HD21 ASN 68 -1.859 0.408 -17.219 446 HD22 ASN 68 HD22 ASN 68 -0.955 -0.883 -17.937 447 H GLU 69 HN GLU 69 0.531 -1.484 -14.164 448 HA GLU 69 HA GLU 69 1.239 -1.467 -11.356 449 HB2 GLU 69 HB2 GLU 69 2.153 -3.197 -13.651 450 HB3 GLU 69 HB1 GLU 69 2.707 -3.397 -11.995 451 HG2 GLU 69 HG2 GLU 69 0.409 -3.828 -11.280 452 HG3 GLU 69 HG1 GLU 69 -0.137 -3.642 -12.947 453 H THR 70 HN THR 70 2.298 0.165 -14.055 454 HA THR 70 HA THR 70 4.979 0.564 -12.897 455 HB THR 70 HB THR 70 5.311 1.483 -15.400 456 HG1 THR 70 HG1 THR 70 3.276 0.955 -16.169 457 HG21 THR 70 HG21 THR 70 5.455 -1.421 -14.590 458 HG22 THR 70 HG22 THR 70 6.695 -0.203 -14.298 459 HG23 THR 70 HG23 THR 70 6.309 -0.689 -15.948 460 H ASP 71 HN ASP 71 2.513 1.970 -12.180 461 HA ASP 71 HA ASP 71 2.966 4.638 -13.314 462 HB2 ASP 71 HB2 ASP 71 0.655 3.363 -11.899 463 HB3 ASP 71 HB1 ASP 71 0.819 5.114 -11.888 464 H THR 72 HN THR 72 3.725 6.294 -12.164 465 HA THR 72 HA THR 72 4.248 5.878 -9.296 466 HB THR 72 HB THR 72 6.058 7.742 -9.852 467 HG1 THR 72 HG1 THR 72 6.862 7.539 -11.944 468 HG21 THR 72 HG21 THR 72 6.394 4.807 -10.481 469 HG22 THR 72 HG22 THR 72 6.630 5.587 -8.917 470 HG23 THR 72 HG23 THR 72 7.720 5.946 -10.256 471 HA PRO 73 HA PRO 73 1.862 9.491 -8.369 472 HB2 PRO 73 HB2 PRO 73 4.107 10.534 -6.750 473 HB3 PRO 73 HB1 PRO 73 2.450 10.158 -6.261 474 HG2 PRO 73 HG2 PRO 73 4.473 8.591 -5.530 475 HG3 PRO 73 HG1 PRO 73 2.886 7.919 -5.958 476 HD2 PRO 73 HD2 PRO 73 5.398 7.983 -7.564 477 HD3 PRO 73 HD1 PRO 73 4.174 6.704 -7.428 478 H ALA 74 HN ALA 74 5.198 9.901 -9.332 479 HA ALA 74 HA ALA 74 4.900 12.679 -10.052 480 HB1 ALA 74 HB1 ALA 74 7.190 12.416 -10.950 481 HB2 ALA 74 HB2 ALA 74 7.115 10.698 -10.563 482 HB3 ALA 74 HB3 ALA 74 7.044 11.895 -9.273 483 H GLN 75 HN GLN 75 4.449 9.605 -11.540 484 HA GLN 75 HA GLN 75 4.693 10.503 -14.253 485 HB2 GLN 75 HB2 GLN 75 5.098 8.169 -13.742 486 HB3 GLN 75 HB1 GLN 75 3.494 8.002 -13.049 487 HG2 GLN 75 HG2 GLN 75 3.606 6.991 -15.250 488 HG3 GLN 75 HG1 GLN 75 2.493 8.360 -15.237 489 HE21 GLN 75 HE21 GLN 75 2.659 8.635 -17.464 490 HE22 GLN 75 HE22 GLN 75 4.072 9.303 -18.203 491 H LEU 76 HN LEU 76 2.007 9.727 -12.074 492 HA LEU 76 HA LEU 76 0.074 10.708 -14.006 493 HB2 LEU 76 HB2 LEU 76 -0.381 9.769 -11.175 494 HB3 LEU 76 HB1 LEU 76 -1.606 10.002 -12.406 495 HG LEU 76 HG LEU 76 0.577 7.916 -12.475 496 HD11 LEU 76 HD11 LEU 76 -1.112 7.430 -10.798 497 HD12 LEU 76 HD12 LEU 76 -1.259 6.326 -12.166 498 HD13 LEU 76 HD13 LEU 76 -2.387 7.671 -11.991 499 HD21 LEU 76 HD21 LEU 76 -1.736 8.375 -14.355 500 HD22 LEU 76 HD22 LEU 76 -0.583 7.043 -14.428 501 HD23 LEU 76 HD23 LEU 76 -0.039 8.697 -14.712 502 H GLU 77 HN GLU 77 2.104 12.099 -11.871 503 HA GLU 77 HA GLU 77 2.260 14.061 -10.768 504 HB2 GLU 77 HB2 GLU 77 0.447 14.707 -13.056 505 HB3 GLU 77 HB1 GLU 77 0.792 15.937 -11.846 506 HG2 GLU 77 HG2 GLU 77 2.851 14.457 -13.474 507 HG3 GLU 77 HG1 GLU 77 2.286 16.101 -13.773 508 H MET 78 HN MET 78 1.112 12.665 -9.110 509 HA MET 78 HA MET 78 -1.599 13.432 -8.473 510 HB2 MET 78 HB2 MET 78 0.363 11.797 -6.850 511 HB3 MET 78 HB1 MET 78 -1.376 11.899 -6.604 512 HG2 MET 78 HG2 MET 78 -1.793 10.784 -8.686 513 HG3 MET 78 HG1 MET 78 -0.079 10.810 -9.088 514 HE1 MET 78 HE1 MET 78 -2.929 9.022 -7.067 515 HE2 MET 78 HE2 MET 78 -2.105 9.999 -5.852 516 HE3 MET 78 HE3 MET 78 -2.004 8.241 -5.782 517 H GLU 79 HN GLU 79 -2.218 14.467 -6.516 518 HA GLU 79 HA GLU 79 -0.176 16.360 -5.559 519 HB2 GLU 79 HB2 GLU 79 -3.191 16.574 -5.517 520 HB3 GLU 79 HB1 GLU 79 -2.074 17.789 -4.911 521 HG2 GLU 79 HG2 GLU 79 -2.112 16.862 -7.769 522 HG3 GLU 79 HG1 GLU 79 -3.045 18.234 -7.178 523 H ASP 80 HN ASP 80 -0.520 17.096 -3.276 524 HA ASP 80 HA ASP 80 -0.507 14.858 -1.531 525 HB2 ASP 80 HB2 ASP 80 0.329 17.513 -1.367 526 HB3 ASP 80 HB1 ASP 80 -0.977 17.405 -0.192 527 H GLU 81 HN GLU 81 -2.035 14.103 -0.160 528 HA GLU 81 HA GLU 81 -4.042 13.713 0.792 529 HB2 GLU 81 HB2 GLU 81 -4.629 16.567 0.004 530 HB3 GLU 81 HB1 GLU 81 -5.722 15.565 0.948 531 HG2 GLU 81 HG2 GLU 81 -3.718 15.274 2.541 532 HG3 GLU 81 HG1 GLU 81 -3.058 16.685 1.712 533 H ASP 82 HN ASP 82 -3.459 13.547 -2.240 534 HA ASP 82 HA ASP 82 -5.953 13.781 -3.562 535 HB2 ASP 82 HB2 ASP 82 -3.321 13.048 -4.295 536 HB3 ASP 82 HB1 ASP 82 -4.353 11.688 -4.729 537 H THR 83 HN THR 83 -7.458 12.134 -4.126 538 HA THR 83 HA THR 83 -7.457 9.936 -2.171 539 HB THR 83 HB THR 83 -9.936 10.792 -3.597 540 HG1 THR 83 HG1 THR 83 -8.402 12.434 -2.124 541 HG21 THR 83 HG21 THR 83 -9.883 8.816 -2.077 542 HG22 THR 83 HG22 THR 83 -11.000 10.076 -1.552 543 HG23 THR 83 HG23 THR 83 -9.437 9.895 -0.755 544 H ILE 84 HN ILE 84 -7.480 7.908 -2.801 545 HA ILE 84 HA ILE 84 -7.687 7.303 -5.677 546 HB ILE 84 HB ILE 84 -6.553 5.540 -3.494 547 HG12 ILE 84 HG12 ILE 84 -4.936 7.152 -5.467 548 HG13 ILE 84 HG11 ILE 84 -5.359 7.780 -3.879 549 HG21 ILE 84 HG21 ILE 84 -7.230 4.291 -5.436 550 HG22 ILE 84 HG22 ILE 84 -5.470 4.383 -5.404 551 HG23 ILE 84 HG23 ILE 84 -6.387 5.415 -6.502 552 HD11 ILE 84 HD11 ILE 84 -3.821 5.240 -4.364 553 HD12 ILE 84 HD12 ILE 84 -4.151 5.996 -2.807 554 HD13 ILE 84 HD13 ILE 84 -3.102 6.804 -3.971 555 H ASP 85 HN ASP 85 -9.209 5.832 -6.404 556 HA ASP 85 HA ASP 85 -11.313 5.162 -4.484 557 HB2 ASP 85 HB2 ASP 85 -11.346 6.075 -7.128 558 HB3 ASP 85 HB1 ASP 85 -11.870 4.396 -7.221 559 H VAL 86 HN VAL 86 -11.768 3.170 -3.844 560 HA VAL 86 HA VAL 86 -10.218 0.946 -4.998 561 HB VAL 86 HB VAL 86 -11.505 1.135 -2.267 562 HG11 VAL 86 HG11 VAL 86 -11.349 -1.160 -3.153 563 HG12 VAL 86 HG12 VAL 86 -10.310 -0.910 -1.752 564 HG13 VAL 86 HG13 VAL 86 -9.613 -0.943 -3.372 565 HG21 VAL 86 HG21 VAL 86 -8.612 1.384 -3.080 566 HG22 VAL 86 HG22 VAL 86 -9.194 1.283 -1.417 567 HG23 VAL 86 HG23 VAL 86 -9.636 2.660 -2.427 568 H PHE 87 HN PHE 87 -11.305 -0.566 -6.099 569 HA PHE 87 HA PHE 87 -14.190 -0.881 -5.564 570 HB2 PHE 87 HB2 PHE 87 -12.775 -0.789 -8.228 571 HB3 PHE 87 HB1 PHE 87 -14.399 -1.437 -8.033 572 HD1 PHE 87 HD1 PHE 87 -16.190 0.098 -7.088 573 HD2 PHE 87 HD2 PHE 87 -12.430 1.496 -8.513 574 HE1 PHE 87 HE1 PHE 87 -17.125 2.361 -7.331 575 HE2 PHE 87 HE2 PHE 87 -13.361 3.759 -8.758 576 HZ PHE 87 HZ PHE 87 -15.709 4.194 -8.165 577 H GLN 88 HN GLN 88 -15.027 -3.002 -6.373 578 HA GLN 88 HA GLN 88 -13.025 -5.104 -5.888 579 HB2 GLN 88 HB2 GLN 88 -15.818 -4.715 -5.017 580 HB3 GLN 88 HB1 GLN 88 -15.431 -6.344 -5.551 581 HG2 GLN 88 HG2 GLN 88 -13.521 -5.096 -3.685 582 HG3 GLN 88 HG1 GLN 88 -15.113 -5.484 -3.039 583 HE21 GLN 88 HE21 GLN 88 -14.327 -7.088 -1.702 584 HE22 GLN 88 HE22 GLN 88 -13.778 -8.613 -2.306 585 H GLN 89 HN GLN 89 -12.794 -6.749 -7.339 586 HA GLN 89 HA GLN 89 -13.722 -6.327 -9.983 587 HB2 GLN 89 HB2 GLN 89 -11.605 -7.462 -9.547 588 HB3 GLN 89 HB1 GLN 89 -12.446 -8.762 -8.720 589 HG2 GLN 89 HG2 GLN 89 -11.799 -9.478 -10.918 590 HG3 GLN 89 HG1 GLN 89 -13.555 -9.364 -10.828 591 HE21 GLN 89 HE21 GLN 89 -13.868 -9.115 -12.993 592 HE22 GLN 89 HE22 GLN 89 -13.399 -7.691 -13.864 593 H GLN 90 HN GLN 90 -15.245 -7.459 -11.186 594 HA GLN 90 HA GLN 90 -17.580 -8.254 -9.800 595 HB2 GLN 90 HB2 GLN 90 -16.729 -8.365 -12.683 596 HB3 GLN 90 HB1 GLN 90 -18.253 -9.068 -12.163 597 HG2 GLN 90 HG2 GLN 90 -18.704 -6.889 -12.989 598 HG3 GLN 90 HG1 GLN 90 -18.883 -6.842 -11.237 599 HE21 GLN 90 HE21 GLN 90 -18.581 -4.616 -11.194 600 HE22 GLN 90 HE22 GLN 90 -17.031 -3.887 -11.439 601 H THR 91 HN THR 91 -18.453 -10.263 -9.440 602 HA THR 91 HA THR 91 -16.569 -12.453 -9.361 603 HB THR 91 HB THR 91 -18.803 -13.598 -8.464 604 HG1 THR 91 HG1 THR 91 -20.335 -12.205 -7.902 605 HG21 THR 91 HG21 THR 91 -18.214 -12.846 -6.210 606 HG22 THR 91 HG22 THR 91 -17.242 -11.541 -6.893 607 HG23 THR 91 HG23 THR 91 -16.768 -13.223 -7.145 608 H GLY 92 HN GLY 92 -19.671 -11.714 -10.902 609 HA2 GLY 92 HA2 GLY 92 -19.520 -12.544 -13.354 610 HA3 GLY 92 HA1 GLY 92 -19.398 -14.113 -12.572 611 H1 ASP 195 HN ASP 195 -13.388 6.501 15.194 612 HA ASP 195 HA ASP 195 -14.751 5.483 13.458 613 HB2 ASP 195 HB2 ASP 195 -14.270 7.839 12.173 614 HB3 ASP 195 HB1 ASP 195 -13.200 6.749 11.290 615 H THR 196 HN THR 196 -13.080 4.927 10.995 616 HA THR 196 HA THR 196 -10.987 3.363 12.349 617 HB THR 196 HB THR 196 -12.104 2.582 9.672 618 HG1 THR 196 HG1 THR 196 -13.897 1.885 10.549 619 HG21 THR 196 HG21 THR 196 -11.452 0.322 10.507 620 HG22 THR 196 HG22 THR 196 -10.815 1.090 11.959 621 HG23 THR 196 HG23 THR 196 -10.101 1.448 10.390 622 H ALA 197 HN ALA 197 -8.988 3.874 11.860 623 HA ALA 197 HA ALA 197 -8.419 5.227 9.312 624 HB1 ALA 197 HB1 ALA 197 -6.807 6.631 10.412 625 HB2 ALA 197 HB2 ALA 197 -7.101 5.826 11.950 626 HB3 ALA 197 HB3 ALA 197 -8.372 6.799 11.211 627 H GLY 198 HN GLY 198 -6.816 4.387 8.134 628 HA2 GLY 198 HA2 GLY 198 -5.016 2.457 9.461 629 HA3 GLY 198 HA1 GLY 198 -5.649 2.215 7.830 630 H CYS 199 HN CYS 199 -2.843 2.894 9.224 631 HA CYS 199 HA CYS 199 -2.150 4.898 7.169 632 HB2 CYS 199 HB2 CYS 199 -0.671 4.496 9.778 633 HB3 CYS 199 HB1 CYS 199 -0.478 5.821 8.631 634 HG CYS 199 HG CYS 199 -1.747 6.981 10.749 635 H ILE 200 HN ILE 200 -0.800 4.228 5.641 636 HA ILE 200 HA ILE 200 0.993 1.971 6.245 637 HB ILE 200 HB ILE 200 -0.321 2.439 3.561 638 HG12 ILE 200 HG12 ILE 200 -1.018 0.462 5.743 639 HG13 ILE 200 HG11 ILE 200 -2.037 1.754 5.126 640 HG21 ILE 200 HG21 ILE 200 0.576 -0.206 3.847 641 HG22 ILE 200 HG22 ILE 200 1.882 0.826 4.435 642 HG23 ILE 200 HG23 ILE 200 1.237 1.057 2.808 643 HD11 ILE 200 HD11 ILE 200 -2.837 -0.266 4.209 644 HD12 ILE 200 HD12 ILE 200 -1.218 -0.767 3.723 645 HD13 ILE 200 HD13 ILE 200 -2.004 0.586 2.909 646 H VAL 201 HN VAL 201 3.106 2.353 5.798 647 HA VAL 201 HA VAL 201 3.710 4.593 3.982 648 HB VAL 201 HB VAL 201 4.353 5.318 6.191 649 HG11 VAL 201 HG11 VAL 201 4.442 3.257 7.384 650 HG12 VAL 201 HG12 VAL 201 6.014 4.042 7.531 651 HG13 VAL 201 HG13 VAL 201 5.801 2.691 6.415 652 HG21 VAL 201 HG21 VAL 201 6.758 5.658 5.928 653 HG22 VAL 201 HG22 VAL 201 5.912 5.884 4.396 654 HG23 VAL 201 HG23 VAL 201 6.806 4.396 4.696 655 H ILE 202 HN ILE 202 4.954 4.064 2.255 656 HA ILE 202 HA ILE 202 6.359 1.482 2.384 657 HB ILE 202 HB ILE 202 5.936 1.061 0.045 658 HG12 ILE 202 HG12 ILE 202 4.537 3.740 0.071 659 HG13 ILE 202 HG11 ILE 202 5.906 3.246 -0.921 660 HG21 ILE 202 HG21 ILE 202 4.293 0.223 1.584 661 HG22 ILE 202 HG22 ILE 202 3.484 0.740 0.103 662 HG23 ILE 202 HG23 ILE 202 3.420 1.754 1.546 663 HD11 ILE 202 HD11 ILE 202 4.599 2.357 -2.480 664 HD12 ILE 202 HD12 ILE 202 3.306 3.283 -1.719 665 HD13 ILE 202 HD13 ILE 202 3.542 1.589 -1.296 666 H SEP 203 HN SEP 203 8.467 1.506 1.921 667 HA SEP 203 HA SEP 203 9.546 3.984 0.780 668 HB2 SEP 203 HB1 SEP 203 11.610 3.490 2.084 669 HB3 SEP 203 HB2 SEP 203 10.765 2.146 2.845 670 H ASP 204 HN ASP 204 10.634 3.811 -1.035 671 HA ASP 204 HA ASP 204 11.666 1.168 -1.816 672 HB2 ASP 204 HB2 ASP 204 9.642 2.038 -3.109 673 HB3 ASP 204 HB1 ASP 204 10.704 3.292 -3.733 674 H SEP 205 HN SEP 205 13.816 1.130 -2.209 675 HA SEP 205 HA SEP 205 15.086 3.731 -2.710 676 HB2 SEP 205 HB1 SEP 205 15.952 3.254 -0.618 677 HB3 SEP 205 HB2 SEP 205 17.142 2.441 -1.631 678 H GLU 206 HN GLU 206 16.163 3.901 -4.541 679 HA GLU 206 HA GLU 206 17.168 1.478 -5.853 680 HB2 GLU 206 HB2 GLU 206 14.976 1.972 -6.847 681 HB3 GLU 206 HB1 GLU 206 15.487 3.621 -7.181 682 HG2 GLU 206 HG2 GLU 206 15.678 2.517 -9.220 683 HG3 GLU 206 HG1 GLU 206 17.326 2.590 -8.600 Start of MODEL 8 1 H1 ASP 16 HN ASP 16 9.529 15.202 -2.018 2 HA ASP 16 HA ASP 16 10.033 14.658 0.831 3 HB2 ASP 16 HB2 ASP 16 8.100 16.592 -0.421 4 HB3 ASP 16 HB1 ASP 16 7.807 15.929 1.182 5 H HIS 17 HN HIS 17 8.033 13.753 1.920 6 HA HIS 17 HA HIS 17 7.096 11.516 0.358 7 HB2 HIS 17 HB2 HIS 17 6.755 12.351 3.229 8 HB3 HIS 17 HB1 HIS 17 5.820 11.028 2.552 9 HD2 HIS 17 HD2 HIS 17 7.381 8.767 1.758 10 HE1 HIS 17 HE1 HIS 17 10.672 9.944 4.146 11 HE2 HIS 17 HE2 HIS 17 9.644 8.038 2.829 12 H ILE 18 HN ILE 18 5.023 11.133 -0.313 13 HA ILE 18 HA ILE 18 3.182 13.418 -0.135 14 HB ILE 18 HB ILE 18 3.840 12.959 -2.434 15 HG12 ILE 18 HG12 ILE 18 1.014 12.010 -1.917 16 HG13 ILE 18 HG11 ILE 18 1.527 13.695 -1.992 17 HG21 ILE 18 HG21 ILE 18 3.298 10.839 -3.538 18 HG22 ILE 18 HG22 ILE 18 2.783 10.170 -1.990 19 HG23 ILE 18 HG23 ILE 18 4.469 10.625 -2.237 20 HD11 ILE 18 HD11 ILE 18 2.212 13.346 -4.333 21 HD12 ILE 18 HD12 ILE 18 0.492 13.065 -4.065 22 HD13 ILE 18 HD13 ILE 18 1.593 11.696 -4.240 23 H ASN 19 HN ASN 19 1.299 13.132 0.894 24 HA ASN 19 HA ASN 19 0.750 10.432 1.904 25 HB2 ASN 19 HB2 ASN 19 0.029 13.176 2.876 26 HB3 ASN 19 HB1 ASN 19 -0.917 11.781 3.393 27 HD21 ASN 19 HD21 ASN 19 2.131 13.402 3.564 28 HD22 ASN 19 HD22 ASN 19 2.801 12.457 4.849 29 H LEU 20 HN LEU 20 -0.493 9.329 0.587 30 HA LEU 20 HA LEU 20 -2.697 10.654 -0.812 31 HB2 LEU 20 HB2 LEU 20 -1.606 7.844 -1.057 32 HB3 LEU 20 HB1 LEU 20 -2.868 8.535 -2.063 33 HG LEU 20 HG LEU 20 -0.092 9.697 -1.919 34 HD11 LEU 20 HD11 LEU 20 0.347 8.535 -4.042 35 HD12 LEU 20 HD12 LEU 20 -1.177 7.668 -3.863 36 HD13 LEU 20 HD13 LEU 20 0.122 7.414 -2.699 37 HD21 LEU 20 HD21 LEU 20 -2.360 9.995 -3.881 38 HD22 LEU 20 HD22 LEU 20 -0.749 10.684 -4.079 39 HD23 LEU 20 HD23 LEU 20 -1.777 11.215 -2.747 40 H LYS 21 HN LYS 21 -4.850 9.709 -0.762 41 HA LYS 21 HA LYS 21 -5.371 8.319 1.789 42 HB2 LYS 21 HB2 LYS 21 -7.093 10.358 0.373 43 HB3 LYS 21 HB1 LYS 21 -7.572 9.463 1.809 44 HG2 LYS 21 HG2 LYS 21 -5.745 10.492 3.058 45 HG3 LYS 21 HG1 LYS 21 -5.279 11.401 1.617 46 HD2 LYS 21 HD2 LYS 21 -7.615 12.346 1.605 47 HD3 LYS 21 HD1 LYS 21 -7.829 11.622 3.200 48 HE2 LYS 21 HE2 LYS 21 -5.999 12.930 4.075 49 HE3 LYS 21 HE1 LYS 21 -5.659 13.583 2.474 50 HZ1 LYS 21 HZ1 LYS 21 -8.045 14.091 4.158 51 HZ2 LYS 21 HZ2 LYS 21 -7.948 14.540 2.531 52 HZ3 LYS 21 HZ3 LYS 21 -6.874 15.209 3.658 53 H VAL 22 HN VAL 22 -6.145 6.359 1.566 54 HA VAL 22 HA VAL 22 -7.320 5.518 -0.966 55 HB VAL 22 HB VAL 22 -6.660 3.951 1.535 56 HG11 VAL 22 HG11 VAL 22 -8.492 2.903 0.318 57 HG12 VAL 22 HG12 VAL 22 -7.016 1.944 0.191 58 HG13 VAL 22 HG13 VAL 22 -7.539 2.946 -1.166 59 HG21 VAL 22 HG21 VAL 22 -4.714 4.857 0.297 60 HG22 VAL 22 HG22 VAL 22 -5.260 3.976 -1.132 61 HG23 VAL 22 HG23 VAL 22 -4.774 3.095 0.316 62 H ALA 23 HN ALA 23 -9.459 5.296 -1.278 63 HA ALA 23 HA ALA 23 -11.214 5.729 1.041 64 HB1 ALA 23 HB1 ALA 23 -11.808 6.086 -1.895 65 HB2 ALA 23 HB2 ALA 23 -11.418 7.369 -0.753 66 HB3 ALA 23 HB3 ALA 23 -12.906 6.444 -0.562 67 H GLY 24 HN GLY 24 -11.951 3.911 1.880 68 HA2 GLY 24 HA2 GLY 24 -12.288 1.516 0.284 69 HA3 GLY 24 HA1 GLY 24 -12.566 1.672 2.011 70 H GLN 25 HN GLN 25 -14.280 0.262 0.334 71 HA GLN 25 HA GLN 25 -16.528 1.886 -0.421 72 HB2 GLN 25 HB2 GLN 25 -16.210 -1.110 -0.186 73 HB3 GLN 25 HB1 GLN 25 -17.628 -0.308 -0.845 74 HG2 GLN 25 HG2 GLN 25 -14.837 -0.150 -1.961 75 HG3 GLN 25 HG1 GLN 25 -16.157 -1.125 -2.604 76 HE21 GLN 25 HE21 GLN 25 -14.610 1.000 -3.868 77 HE22 GLN 25 HE22 GLN 25 -15.758 2.197 -4.365 78 H ASP 26 HN ASP 26 -15.402 0.899 2.507 79 HA ASP 26 HA ASP 26 -18.082 0.699 3.699 80 HB2 ASP 26 HB2 ASP 26 -16.974 -0.307 5.640 81 HB3 ASP 26 HB1 ASP 26 -16.586 -1.197 4.170 82 H GLY 27 HN GLY 27 -16.074 3.023 2.922 83 HA2 GLY 27 HA2 GLY 27 -16.198 5.247 3.631 84 HA3 GLY 27 HA1 GLY 27 -16.936 4.707 5.129 85 H SER 28 HN SER 28 -14.273 2.806 4.681 86 HA SER 28 HA SER 28 -12.825 4.125 6.762 87 HB2 SER 28 HB2 SER 28 -11.134 2.311 6.355 88 HB3 SER 28 HB1 SER 28 -12.764 1.713 6.663 89 HG SER 28 HG SER 28 -12.953 1.070 4.623 90 H VAL 29 HN VAL 29 -10.610 4.879 6.610 91 HA VAL 29 HA VAL 29 -9.776 5.701 3.922 92 HB VAL 29 HB VAL 29 -10.913 7.629 4.984 93 HG11 VAL 29 HG11 VAL 29 -10.383 7.073 7.320 94 HG12 VAL 29 HG12 VAL 29 -9.976 8.738 6.908 95 HG13 VAL 29 HG13 VAL 29 -8.705 7.524 7.023 96 HG21 VAL 29 HG21 VAL 29 -9.120 9.266 4.626 97 HG22 VAL 29 HG22 VAL 29 -9.151 8.034 3.365 98 HG23 VAL 29 HG23 VAL 29 -7.936 7.961 4.642 99 H VAL 30 HN VAL 30 -7.664 5.444 3.538 100 HA VAL 30 HA VAL 30 -5.928 4.841 5.842 101 HB VAL 30 HB VAL 30 -5.811 3.549 3.115 102 HG11 VAL 30 HG11 VAL 30 -4.127 3.046 5.565 103 HG12 VAL 30 HG12 VAL 30 -3.588 3.830 4.076 104 HG13 VAL 30 HG13 VAL 30 -4.064 2.129 4.058 105 HG21 VAL 30 HG21 VAL 30 -6.577 1.552 4.143 106 HG22 VAL 30 HG22 VAL 30 -7.681 2.836 4.638 107 HG23 VAL 30 HG23 VAL 30 -6.447 2.255 5.754 108 H GLN 31 HN GLN 31 -4.251 6.084 6.046 109 HA GLN 31 HA GLN 31 -3.572 8.024 3.999 110 HB2 GLN 31 HB2 GLN 31 -3.821 8.532 6.486 111 HB3 GLN 31 HB1 GLN 31 -2.313 7.667 6.726 112 HG2 GLN 31 HG2 GLN 31 -1.164 9.261 5.284 113 HG3 GLN 31 HG1 GLN 31 -2.679 10.129 5.032 114 HE21 GLN 31 HE21 GLN 31 -0.170 11.059 6.188 115 HE22 GLN 31 HE22 GLN 31 -0.559 11.620 7.779 116 H PHE 32 HN PHE 32 -2.235 7.373 2.457 117 HA PHE 32 HA PHE 32 -0.189 5.372 3.069 118 HB2 PHE 32 HB2 PHE 32 -1.777 6.046 0.718 119 HB3 PHE 32 HB1 PHE 32 -0.065 5.877 0.348 120 HD1 PHE 32 HD1 PHE 32 -2.980 4.143 1.810 121 HD2 PHE 32 HD2 PHE 32 0.957 3.762 0.252 122 HE1 PHE 32 HE1 PHE 32 -3.227 1.696 1.789 123 HE2 PHE 32 HE2 PHE 32 0.718 1.319 0.229 124 HZ PHE 32 HZ PHE 32 -1.376 0.279 0.994 125 H LYS 33 HN LYS 33 1.567 6.286 3.846 126 HA LYS 33 HA LYS 33 2.559 8.800 2.770 127 HB2 LYS 33 HB2 LYS 33 2.604 8.490 5.194 128 HB3 LYS 33 HB1 LYS 33 3.551 7.022 5.015 129 HG2 LYS 33 HG2 LYS 33 5.449 8.245 4.263 130 HG3 LYS 33 HG1 LYS 33 4.516 9.740 4.157 131 HD2 LYS 33 HD2 LYS 33 4.266 9.822 6.538 132 HD3 LYS 33 HD1 LYS 33 4.961 8.210 6.715 133 HE2 LYS 33 HE2 LYS 33 7.100 9.025 5.895 134 HE3 LYS 33 HE1 LYS 33 6.416 10.632 5.660 135 HZ1 LYS 33 HZ1 LYS 33 7.685 10.467 7.721 136 HZ2 LYS 33 HZ2 LYS 33 6.664 9.238 8.272 137 HZ3 LYS 33 HZ3 LYS 33 6.061 10.797 8.036 138 H ILE 34 HN ILE 34 3.407 8.460 0.782 139 HA ILE 34 HA ILE 34 5.651 6.558 0.603 140 HB ILE 34 HB ILE 34 4.777 5.372 -1.094 141 HG12 ILE 34 HG12 ILE 34 3.589 7.869 -2.325 142 HG13 ILE 34 HG11 ILE 34 5.203 7.251 -2.668 143 HG21 ILE 34 HG21 ILE 34 2.777 5.811 0.481 144 HG22 ILE 34 HG22 ILE 34 2.483 5.066 -1.088 145 HG23 ILE 34 HG23 ILE 34 2.154 6.781 -0.852 146 HD11 ILE 34 HD11 ILE 34 2.568 5.964 -3.313 147 HD12 ILE 34 HD12 ILE 34 4.119 5.140 -3.456 148 HD13 ILE 34 HD13 ILE 34 3.787 6.566 -4.435 149 H LYS 35 HN LYS 35 7.102 7.102 -1.316 150 HA LYS 35 HA LYS 35 7.413 10.004 -1.399 151 HB2 LYS 35 HB2 LYS 35 9.181 7.683 -2.044 152 HB3 LYS 35 HB1 LYS 35 9.531 9.248 -2.762 153 HG2 LYS 35 HG2 LYS 35 10.138 10.178 -0.781 154 HG3 LYS 35 HG1 LYS 35 9.063 9.143 0.162 155 HD2 LYS 35 HD2 LYS 35 10.544 7.297 -0.031 156 HD3 LYS 35 HD1 LYS 35 11.527 8.133 -1.236 157 HE2 LYS 35 HE2 LYS 35 12.387 9.628 0.361 158 HE3 LYS 35 HE1 LYS 35 11.159 9.190 1.547 159 HZ1 LYS 35 HZ1 LYS 35 12.151 7.068 1.842 160 HZ2 LYS 35 HZ2 LYS 35 13.383 8.227 1.976 161 HZ3 LYS 35 HZ3 LYS 35 13.229 7.319 0.559 162 H ARG 36 HN ARG 36 7.882 11.072 -3.480 163 HA ARG 36 HA ARG 36 5.850 10.449 -5.360 164 HB2 ARG 36 HB2 ARG 36 8.129 12.424 -5.456 165 HB3 ARG 36 HB1 ARG 36 6.878 12.313 -6.690 166 HG2 ARG 36 HG2 ARG 36 5.182 12.728 -4.918 167 HG3 ARG 36 HG1 ARG 36 6.506 12.998 -3.784 168 HD2 ARG 36 HD2 ARG 36 5.648 15.107 -4.643 169 HD3 ARG 36 HD1 ARG 36 7.310 14.841 -5.163 170 HE ARG 36 HE ARG 36 6.594 14.656 -7.345 171 HH11 ARG 36 HH11 ARG 36 3.830 14.824 -5.190 172 HH12 ARG 36 HH12 ARG 36 2.686 15.055 -6.476 173 HH21 ARG 36 HH21 ARG 36 5.096 14.978 -9.029 174 HH22 ARG 36 HH22 ARG 36 3.409 15.156 -8.654 175 H HIS 37 HN HIS 37 9.138 9.476 -5.065 176 HA HIS 37 HA HIS 37 9.262 8.612 -7.850 177 HB2 HIS 37 HB2 HIS 37 11.582 8.035 -7.414 178 HB3 HIS 37 HB1 HIS 37 11.265 9.670 -6.851 179 HD2 HIS 37 HD2 HIS 37 11.968 10.148 -4.288 180 HE1 HIS 37 HE1 HIS 37 12.661 6.124 -3.183 181 HE2 HIS 37 HE2 HIS 37 12.866 8.541 -2.459 182 H THR 38 HN THR 38 7.998 7.450 -5.058 183 HA THR 38 HA THR 38 8.845 4.699 -5.269 184 HB THR 38 HB THR 38 6.608 5.877 -3.610 185 HG1 THR 38 HG1 THR 38 9.320 6.065 -3.394 186 HG21 THR 38 HG21 THR 38 6.627 3.389 -3.953 187 HG22 THR 38 HG22 THR 38 6.788 3.902 -2.274 188 HG23 THR 38 HG23 THR 38 8.203 3.359 -3.170 189 HA PRO 39 HA PRO 39 5.872 3.689 -8.472 190 HB2 PRO 39 HB2 PRO 39 6.390 0.942 -7.463 191 HB3 PRO 39 HB1 PRO 39 6.521 1.580 -9.107 192 HG2 PRO 39 HG2 PRO 39 8.706 1.052 -7.692 193 HG3 PRO 39 HG1 PRO 39 8.622 2.471 -8.757 194 HD2 PRO 39 HD2 PRO 39 8.406 2.322 -5.785 195 HD3 PRO 39 HD1 PRO 39 9.192 3.547 -6.805 196 H LEU 40 HN LEU 40 3.705 3.418 -8.433 197 HA LEU 40 HA LEU 40 2.365 3.177 -5.924 198 HB2 LEU 40 HB2 LEU 40 1.302 3.235 -8.745 199 HB3 LEU 40 HB1 LEU 40 0.290 3.244 -7.317 200 HG LEU 40 HG LEU 40 2.336 5.373 -7.909 201 HD11 LEU 40 HD11 LEU 40 0.650 5.356 -9.665 202 HD12 LEU 40 HD12 LEU 40 0.456 6.763 -8.620 203 HD13 LEU 40 HD13 LEU 40 -0.629 5.384 -8.450 204 HD21 LEU 40 HD21 LEU 40 0.074 5.159 -5.929 205 HD22 LEU 40 HD22 LEU 40 0.960 6.646 -6.268 206 HD23 LEU 40 HD23 LEU 40 1.803 5.259 -5.583 207 H SER 41 HN SER 41 3.691 0.912 -7.919 208 HA SER 41 HA SER 41 1.846 -1.163 -8.024 209 HB2 SER 41 HB2 SER 41 4.705 -1.834 -7.552 210 HB3 SER 41 HB1 SER 41 3.602 -2.409 -8.803 211 HG SER 41 HG SER 41 4.088 -0.740 -10.040 212 H LYS 42 HN LYS 42 4.142 -0.271 -5.452 213 HA LYS 42 HA LYS 42 3.558 -2.498 -3.783 214 HB2 LYS 42 HB2 LYS 42 4.331 -0.011 -2.404 215 HB3 LYS 42 HB1 LYS 42 5.025 -1.615 -2.292 216 HG2 LYS 42 HG2 LYS 42 6.336 -1.246 -4.260 217 HG3 LYS 42 HG1 LYS 42 5.526 0.293 -4.563 218 HD2 LYS 42 HD2 LYS 42 7.644 0.776 -3.567 219 HD3 LYS 42 HD1 LYS 42 6.402 1.100 -2.350 220 HE2 LYS 42 HE2 LYS 42 8.199 -0.056 -1.277 221 HE3 LYS 42 HE1 LYS 42 6.851 -1.182 -1.414 222 HZ1 LYS 42 HZ1 LYS 42 9.077 -1.098 -3.375 223 HZ2 LYS 42 HZ2 LYS 42 7.914 -2.316 -3.173 224 HZ3 LYS 42 HZ3 LYS 42 9.104 -2.083 -1.996 225 H LEU 43 HN LEU 43 2.211 0.689 -4.171 226 HA LEU 43 HA LEU 43 0.616 0.840 -1.868 227 HB2 LEU 43 HB2 LEU 43 1.176 2.733 -3.341 228 HB3 LEU 43 HB1 LEU 43 0.166 2.051 -4.598 229 HG LEU 43 HG LEU 43 -1.231 2.514 -2.055 230 HD11 LEU 43 HD11 LEU 43 0.125 4.736 -3.535 231 HD12 LEU 43 HD12 LEU 43 0.017 4.455 -1.794 232 HD13 LEU 43 HD13 LEU 43 -1.401 5.003 -2.689 233 HD21 LEU 43 HD21 LEU 43 -1.787 3.344 -4.903 234 HD22 LEU 43 HD22 LEU 43 -2.921 3.422 -3.552 235 HD23 LEU 43 HD23 LEU 43 -2.353 1.856 -4.136 236 H MET 44 HN MET 44 0.099 -0.734 -4.952 237 HA MET 44 HA MET 44 -2.691 -1.267 -4.369 238 HB2 MET 44 HB2 MET 44 -0.894 -2.012 -6.672 239 HB3 MET 44 HB1 MET 44 -2.561 -2.554 -6.550 240 HG2 MET 44 HG2 MET 44 -3.292 -0.201 -6.503 241 HG3 MET 44 HG1 MET 44 -1.614 0.298 -6.715 242 HE1 MET 44 HE1 MET 44 -0.758 -0.940 -10.285 243 HE2 MET 44 HE2 MET 44 -0.475 -1.841 -8.792 244 HE3 MET 44 HE3 MET 44 -0.199 -0.096 -8.835 245 H LYS 45 HN LYS 45 0.116 -2.610 -3.295 246 HA LYS 45 HA LYS 45 -1.106 -5.286 -3.140 247 HB2 LYS 45 HB2 LYS 45 1.810 -4.529 -3.303 248 HB3 LYS 45 HB1 LYS 45 1.252 -6.141 -2.869 249 HG2 LYS 45 HG2 LYS 45 0.065 -6.268 -5.032 250 HG3 LYS 45 HG1 LYS 45 0.752 -4.704 -5.470 251 HD2 LYS 45 HD2 LYS 45 2.472 -7.035 -4.671 252 HD3 LYS 45 HD1 LYS 45 1.937 -6.801 -6.333 253 HE2 LYS 45 HE2 LYS 45 2.935 -4.486 -6.198 254 HE3 LYS 45 HE1 LYS 45 3.658 -4.976 -4.670 255 HZ1 LYS 45 HZ1 LYS 45 4.150 -6.175 -7.338 256 HZ2 LYS 45 HZ2 LYS 45 4.732 -6.831 -5.895 257 HZ3 LYS 45 HZ3 LYS 45 5.248 -5.303 -6.397 258 H ALA 46 HN ALA 46 0.747 -2.841 -1.390 259 HA ALA 46 HA ALA 46 1.126 -4.173 1.023 260 HB1 ALA 46 HB1 ALA 46 2.189 -2.036 0.453 261 HB2 ALA 46 HB2 ALA 46 1.402 -1.983 2.030 262 HB3 ALA 46 HB3 ALA 46 0.633 -1.222 0.637 263 H TYR 47 HN TYR 47 -1.604 -2.096 0.050 264 HA TYR 47 HA TYR 47 -3.009 -2.407 2.490 265 HB2 TYR 47 HB2 TYR 47 -3.386 -0.559 0.856 266 HB3 TYR 47 HB1 TYR 47 -4.150 -1.719 -0.222 267 HD1 TYR 47 HD1 TYR 47 -6.438 -1.433 -0.283 268 HD2 TYR 47 HD2 TYR 47 -4.428 -0.978 3.441 269 HE1 TYR 47 HE1 TYR 47 -8.595 -1.053 0.830 270 HE2 TYR 47 HE2 TYR 47 -6.582 -0.599 4.561 271 HH TYR 47 HH TYR 47 -9.475 -1.363 3.312 272 H CYS 48 HN CYS 48 -3.030 -4.142 -0.564 273 HA CYS 48 HA CYS 48 -5.267 -5.767 -0.114 274 HB2 CYS 48 HB2 CYS 48 -3.206 -5.556 -2.063 275 HB3 CYS 48 HB1 CYS 48 -3.283 -7.240 -1.558 276 HG CYS 48 HG CYS 48 -5.256 -7.840 -3.051 277 H GLU 49 HN GLU 49 -1.906 -6.065 0.851 278 HA GLU 49 HA GLU 49 -2.016 -8.712 1.811 279 HB2 GLU 49 HB2 GLU 49 -0.190 -6.399 2.149 280 HB3 GLU 49 HB1 GLU 49 -0.061 -7.710 3.314 281 HG2 GLU 49 HG2 GLU 49 0.172 -7.947 0.328 282 HG3 GLU 49 HG1 GLU 49 1.495 -8.027 1.491 283 H ARG 50 HN ARG 50 -2.812 -5.630 3.276 284 HA ARG 50 HA ARG 50 -3.110 -6.707 5.925 285 HB2 ARG 50 HB2 ARG 50 -3.943 -4.073 4.697 286 HB3 ARG 50 HB1 ARG 50 -4.215 -4.480 6.386 287 HG2 ARG 50 HG2 ARG 50 -1.720 -4.854 6.555 288 HG3 ARG 50 HG1 ARG 50 -1.602 -4.102 4.963 289 HD2 ARG 50 HD2 ARG 50 -2.683 -2.092 5.830 290 HD3 ARG 50 HD1 ARG 50 -2.816 -2.843 7.419 291 HE ARG 50 HE ARG 50 -0.122 -2.761 6.439 292 HH11 ARG 50 HH11 ARG 50 -1.473 0.124 8.895 293 HH12 ARG 50 HH12 ARG 50 -2.608 -0.906 8.084 294 HH21 ARG 50 HH21 ARG 50 1.367 -1.380 7.516 295 HH22 ARG 50 HH22 ARG 50 0.771 -0.142 8.572 296 H GLN 51 HN GLN 51 -5.187 -6.061 3.186 297 HA GLN 51 HA GLN 51 -7.629 -6.592 4.601 298 HB2 GLN 51 HB2 GLN 51 -7.081 -6.474 1.630 299 HB3 GLN 51 HB1 GLN 51 -8.675 -6.511 2.366 300 HG2 GLN 51 HG2 GLN 51 -6.630 -4.338 2.749 301 HG3 GLN 51 HG1 GLN 51 -8.014 -4.261 1.660 302 HE21 GLN 51 HE21 GLN 51 -10.065 -3.961 2.505 303 HE22 GLN 51 HE22 GLN 51 -10.338 -3.505 4.149 304 H GLY 52 HN GLY 52 -5.277 -8.454 2.893 305 HA2 GLY 52 HA2 GLY 52 -5.017 -10.760 2.880 306 HA3 GLY 52 HA1 GLY 52 -6.577 -10.916 3.681 307 H LEU 53 HN LEU 53 -5.968 -9.109 0.751 308 HA LEU 53 HA LEU 53 -7.621 -11.054 -0.730 309 HB2 LEU 53 HB2 LEU 53 -7.533 -8.070 -1.196 310 HB3 LEU 53 HB1 LEU 53 -8.582 -9.228 -1.988 311 HG LEU 53 HG LEU 53 -8.698 -8.570 0.956 312 HD11 LEU 53 HD11 LEU 53 -9.297 -6.635 -0.409 313 HD12 LEU 53 HD12 LEU 53 -10.707 -7.302 0.413 314 HD13 LEU 53 HD13 LEU 53 -10.454 -7.620 -1.303 315 HD21 LEU 53 HD21 LEU 53 -9.552 -10.760 0.539 316 HD22 LEU 53 HD22 LEU 53 -10.468 -10.197 -0.858 317 HD23 LEU 53 HD23 LEU 53 -10.928 -9.678 0.764 318 H SER 54 HN SER 54 -7.352 -10.690 -3.165 319 HA SER 54 HA SER 54 -4.487 -10.673 -3.735 320 HB2 SER 54 HB2 SER 54 -5.713 -12.651 -4.474 321 HB3 SER 54 HB1 SER 54 -6.855 -11.640 -5.360 322 HG SER 54 HG SER 54 -4.879 -12.704 -6.441 323 H MET 55 HN MET 55 -3.593 -9.311 -5.307 324 HA MET 55 HA MET 55 -4.766 -6.765 -5.583 325 HB2 MET 55 HB2 MET 55 -2.337 -7.129 -5.694 326 HB3 MET 55 HB1 MET 55 -2.533 -8.015 -7.201 327 HG2 MET 55 HG2 MET 55 -3.376 -5.997 -8.288 328 HG3 MET 55 HG1 MET 55 -3.197 -5.108 -6.776 329 HE1 MET 55 HE1 MET 55 -0.635 -7.839 -8.112 330 HE2 MET 55 HE2 MET 55 0.340 -6.834 -9.185 331 HE3 MET 55 HE3 MET 55 -1.361 -7.121 -9.551 332 H ARG 56 HN ARG 56 -5.002 -9.646 -7.493 333 HA ARG 56 HA ARG 56 -6.093 -8.289 -9.809 334 HB2 ARG 56 HB2 ARG 56 -4.679 -10.403 -9.863 335 HB3 ARG 56 HB1 ARG 56 -6.092 -11.255 -9.263 336 HG2 ARG 56 HG2 ARG 56 -7.345 -10.632 -11.240 337 HG3 ARG 56 HG1 ARG 56 -5.976 -9.692 -11.835 338 HD2 ARG 56 HD2 ARG 56 -4.638 -11.673 -12.068 339 HD3 ARG 56 HD1 ARG 56 -5.869 -12.653 -11.276 340 HE ARG 56 HE ARG 56 -7.167 -11.599 -13.412 341 HH11 ARG 56 HH11 ARG 56 -4.207 -13.429 -13.042 342 HH12 ARG 56 HH12 ARG 56 -4.328 -14.183 -14.599 343 HH21 ARG 56 HH21 ARG 56 -7.310 -12.559 -15.477 344 HH22 ARG 56 HH22 ARG 56 -6.088 -13.685 -15.981 345 H GLN 57 HN GLN 57 -7.276 -9.167 -6.828 346 HA GLN 57 HA GLN 57 -9.928 -9.966 -7.701 347 HB2 GLN 57 HB2 GLN 57 -8.863 -10.965 -5.691 348 HB3 GLN 57 HB1 GLN 57 -8.885 -9.387 -4.918 349 HG2 GLN 57 HG2 GLN 57 -11.394 -9.423 -5.205 350 HG3 GLN 57 HG1 GLN 57 -11.223 -11.119 -5.657 351 HE21 GLN 57 HE21 GLN 57 -12.607 -9.950 -3.387 352 HE22 GLN 57 HE22 GLN 57 -11.895 -10.655 -1.975 353 H ILE 58 HN ILE 58 -8.260 -7.082 -6.869 354 HA ILE 58 HA ILE 58 -10.823 -5.628 -6.854 355 HB ILE 58 HB ILE 58 -9.723 -3.892 -5.443 356 HG12 ILE 58 HG12 ILE 58 -7.583 -5.991 -5.029 357 HG13 ILE 58 HG11 ILE 58 -7.380 -4.551 -6.022 358 HG21 ILE 58 HG21 ILE 58 -9.882 -6.665 -4.270 359 HG22 ILE 58 HG22 ILE 58 -11.208 -5.513 -4.432 360 HG23 ILE 58 HG23 ILE 58 -9.869 -5.166 -3.337 361 HD11 ILE 58 HD11 ILE 58 -7.934 -4.597 -3.064 362 HD12 ILE 58 HD12 ILE 58 -7.734 -3.151 -4.056 363 HD13 ILE 58 HD13 ILE 58 -6.381 -4.263 -3.834 364 H ARG 59 HN ARG 59 -10.356 -3.191 -7.330 365 HA ARG 59 HA ARG 59 -8.314 -2.928 -9.423 366 HB2 ARG 59 HB2 ARG 59 -11.242 -2.252 -9.703 367 HB3 ARG 59 HB1 ARG 59 -10.007 -1.629 -10.785 368 HG2 ARG 59 HG2 ARG 59 -10.731 -4.523 -10.375 369 HG3 ARG 59 HG1 ARG 59 -11.130 -3.525 -11.776 370 HD2 ARG 59 HD2 ARG 59 -8.702 -3.228 -12.197 371 HD3 ARG 59 HD1 ARG 59 -8.365 -4.333 -10.860 372 HE ARG 59 HE ARG 59 -9.371 -5.016 -13.498 373 HH11 ARG 59 HH11 ARG 59 -8.747 -6.079 -10.224 374 HH12 ARG 59 HH12 ARG 59 -8.777 -7.768 -10.629 375 HH21 ARG 59 HH21 ARG 59 -9.429 -7.236 -14.033 376 HH22 ARG 59 HH22 ARG 59 -9.166 -8.424 -12.798 377 H PHE 60 HN PHE 60 -7.353 -0.963 -9.520 378 HA PHE 60 HA PHE 60 -8.191 1.005 -7.499 379 HB2 PHE 60 HB2 PHE 60 -5.539 0.099 -8.494 380 HB3 PHE 60 HB1 PHE 60 -5.699 1.801 -8.081 381 HD1 PHE 60 HD1 PHE 60 -6.107 -1.624 -6.745 382 HD2 PHE 60 HD2 PHE 60 -5.641 2.507 -5.863 383 HE1 PHE 60 HE1 PHE 60 -5.773 -2.173 -4.371 384 HE2 PHE 60 HE2 PHE 60 -5.309 1.972 -3.487 385 HZ PHE 60 HZ PHE 60 -5.374 -0.373 -2.736 386 H ARG 61 HN ARG 61 -8.879 2.944 -8.159 387 HA ARG 61 HA ARG 61 -8.231 3.782 -10.908 388 HB2 ARG 61 HB2 ARG 61 -10.907 3.850 -9.525 389 HB3 ARG 61 HB1 ARG 61 -10.545 4.866 -10.914 390 HG2 ARG 61 HG2 ARG 61 -10.056 2.830 -12.228 391 HG3 ARG 61 HG1 ARG 61 -10.538 1.852 -10.838 392 HD2 ARG 61 HD2 ARG 61 -12.771 2.887 -10.917 393 HD3 ARG 61 HD1 ARG 61 -12.279 3.820 -12.329 394 HE ARG 61 HE ARG 61 -11.856 1.103 -12.876 395 HH11 ARG 61 HH11 ARG 61 -15.629 2.422 -13.297 396 HH12 ARG 61 HH12 ARG 61 -14.514 3.313 -12.312 397 HH21 ARG 61 HH21 ARG 61 -13.330 -0.088 -14.143 398 HH22 ARG 61 HH22 ARG 61 -14.959 0.484 -14.339 399 H PHE 62 HN PHE 62 -7.681 5.855 -11.197 400 HA PHE 62 HA PHE 62 -7.973 7.736 -8.950 401 HB2 PHE 62 HB2 PHE 62 -5.672 6.910 -8.895 402 HB3 PHE 62 HB1 PHE 62 -5.478 7.272 -10.607 403 HD1 PHE 62 HD1 PHE 62 -6.114 8.853 -7.309 404 HD2 PHE 62 HD2 PHE 62 -4.709 9.361 -11.292 405 HE1 PHE 62 HE1 PHE 62 -5.307 11.103 -6.735 406 HE2 PHE 62 HE2 PHE 62 -3.899 11.614 -10.724 407 HZ PHE 62 HZ PHE 62 -4.199 12.488 -8.440 408 H ASP 63 HN ASP 63 -8.826 9.626 -9.583 409 HA ASP 63 HA ASP 63 -9.656 11.298 -10.885 410 HB2 ASP 63 HB2 ASP 63 -7.185 11.407 -11.570 411 HB3 ASP 63 HB1 ASP 63 -7.658 10.522 -13.015 412 H GLY 64 HN GLY 64 -10.357 8.336 -11.212 413 HA2 GLY 64 HA2 GLY 64 -12.306 7.511 -12.248 414 HA3 GLY 64 HA1 GLY 64 -12.145 8.746 -13.485 415 H GLN 65 HN GLN 65 -9.128 7.691 -13.326 416 HA GLN 65 HA GLN 65 -9.579 5.659 -15.402 417 HB2 GLN 65 HB2 GLN 65 -7.206 7.458 -14.894 418 HB3 GLN 65 HB1 GLN 65 -7.255 6.206 -16.129 419 HG2 GLN 65 HG2 GLN 65 -9.127 8.557 -15.983 420 HG3 GLN 65 HG1 GLN 65 -7.698 8.463 -17.007 421 HE21 GLN 65 HE21 GLN 65 -10.544 8.753 -17.669 422 HE22 GLN 65 HE22 GLN 65 -10.900 7.458 -18.756 423 HA PRO 66 HA PRO 66 -7.905 2.573 -12.686 424 HB2 PRO 66 HB2 PRO 66 -7.060 1.152 -15.122 425 HB3 PRO 66 HB1 PRO 66 -8.210 0.649 -13.877 426 HG2 PRO 66 HG2 PRO 66 -9.038 1.350 -16.316 427 HG3 PRO 66 HG1 PRO 66 -9.982 1.732 -14.864 428 HD2 PRO 66 HD2 PRO 66 -8.212 3.516 -16.481 429 HD3 PRO 66 HD1 PRO 66 -9.798 3.850 -15.753 430 H ILE 67 HN ILE 67 -6.003 2.439 -11.692 431 HA ILE 67 HA ILE 67 -3.658 3.645 -12.867 432 HB ILE 67 HB ILE 67 -3.824 2.167 -10.234 433 HG12 ILE 67 HG12 ILE 67 -4.270 5.123 -10.699 434 HG13 ILE 67 HG11 ILE 67 -5.563 3.962 -10.408 435 HG21 ILE 67 HG21 ILE 67 -1.962 3.686 -9.624 436 HG22 ILE 67 HG22 ILE 67 -1.944 4.275 -11.285 437 HG23 ILE 67 HG23 ILE 67 -1.567 2.587 -10.944 438 HD11 ILE 67 HD11 ILE 67 -4.322 3.421 -8.237 439 HD12 ILE 67 HD12 ILE 67 -5.194 4.949 -8.340 440 HD13 ILE 67 HD13 ILE 67 -3.441 4.921 -8.529 441 H ASN 68 HN ASN 68 -1.907 2.630 -13.685 442 HA ASN 68 HA ASN 68 -2.074 -0.244 -14.091 443 HB2 ASN 68 HB2 ASN 68 -0.443 1.966 -15.281 444 HB3 ASN 68 HB1 ASN 68 0.139 0.311 -15.411 445 HD21 ASN 68 HD21 ASN 68 -2.254 2.592 -16.410 446 HD22 ASN 68 HD22 ASN 68 -2.962 1.619 -17.651 447 H GLU 69 HN GLU 69 0.145 -1.409 -13.990 448 HA GLU 69 HA GLU 69 1.065 -1.119 -11.253 449 HB2 GLU 69 HB2 GLU 69 1.736 -3.186 -13.354 450 HB3 GLU 69 HB1 GLU 69 2.222 -3.256 -11.666 451 HG2 GLU 69 HG2 GLU 69 0.016 -3.590 -10.933 452 HG3 GLU 69 HG1 GLU 69 -0.659 -3.111 -12.488 453 H THR 70 HN THR 70 1.953 0.388 -13.976 454 HA THR 70 HA THR 70 4.790 0.478 -13.181 455 HB THR 70 HB THR 70 5.341 0.914 -15.578 456 HG1 THR 70 HG1 THR 70 3.334 1.567 -16.361 457 HG21 THR 70 HG21 THR 70 5.216 -1.393 -16.283 458 HG22 THR 70 HG22 THR 70 3.916 -1.713 -15.137 459 HG23 THR 70 HG23 THR 70 5.537 -1.346 -14.551 460 H ASP 71 HN ASP 71 3.109 2.271 -12.013 461 HA ASP 71 HA ASP 71 3.894 4.763 -13.340 462 HB2 ASP 71 HB2 ASP 71 1.110 3.932 -12.674 463 HB3 ASP 71 HB1 ASP 71 1.542 5.623 -12.445 464 H THR 72 HN THR 72 4.188 6.532 -11.998 465 HA THR 72 HA THR 72 4.310 5.927 -9.116 466 HB THR 72 HB THR 72 6.087 7.788 -9.130 467 HG1 THR 72 HG1 THR 72 7.163 7.939 -11.215 468 HG21 THR 72 HG21 THR 72 6.576 5.112 -10.428 469 HG22 THR 72 HG22 THR 72 6.761 5.541 -8.725 470 HG23 THR 72 HG23 THR 72 7.869 6.204 -9.927 471 HA PRO 73 HA PRO 73 1.701 9.403 -8.197 472 HB2 PRO 73 HB2 PRO 73 3.807 10.604 -6.492 473 HB3 PRO 73 HB1 PRO 73 2.167 10.101 -6.064 474 HG2 PRO 73 HG2 PRO 73 4.268 8.679 -5.265 475 HG3 PRO 73 HG1 PRO 73 2.753 7.893 -5.760 476 HD2 PRO 73 HD2 PRO 73 5.319 8.163 -7.266 477 HD3 PRO 73 HD1 PRO 73 4.191 6.793 -7.184 478 H ALA 74 HN ALA 74 5.063 10.124 -8.924 479 HA ALA 74 HA ALA 74 4.589 12.858 -9.637 480 HB1 ALA 74 HB1 ALA 74 6.903 12.819 -10.440 481 HB2 ALA 74 HB2 ALA 74 6.948 11.071 -10.224 482 HB3 ALA 74 HB3 ALA 74 6.774 12.128 -8.826 483 H GLN 75 HN GLN 75 4.839 9.794 -11.341 484 HA GLN 75 HA GLN 75 4.919 10.795 -13.970 485 HB2 GLN 75 HB2 GLN 75 5.360 8.408 -13.094 486 HB3 GLN 75 HB1 GLN 75 3.619 8.194 -13.207 487 HG2 GLN 75 HG2 GLN 75 4.612 7.313 -15.179 488 HG3 GLN 75 HG1 GLN 75 3.759 8.795 -15.608 489 HE21 GLN 75 HE21 GLN 75 5.004 9.006 -17.469 490 HE22 GLN 75 HE22 GLN 75 6.647 9.551 -17.415 491 H LEU 76 HN LEU 76 2.241 10.021 -11.814 492 HA LEU 76 HA LEU 76 0.296 10.683 -13.890 493 HB2 LEU 76 HB2 LEU 76 0.020 9.593 -11.097 494 HB3 LEU 76 HB1 LEU 76 -1.361 10.075 -12.061 495 HG LEU 76 HG LEU 76 0.608 7.907 -12.800 496 HD11 LEU 76 HD11 LEU 76 -0.750 7.260 -10.904 497 HD12 LEU 76 HD12 LEU 76 -1.267 6.385 -12.344 498 HD13 LEU 76 HD13 LEU 76 -2.215 7.748 -11.754 499 HD21 LEU 76 HD21 LEU 76 -1.907 8.909 -14.125 500 HD22 LEU 76 HD22 LEU 76 -1.146 7.366 -14.510 501 HD23 LEU 76 HD23 LEU 76 -0.275 8.872 -14.796 502 H GLU 77 HN GLU 77 2.133 12.507 -12.021 503 HA GLU 77 HA GLU 77 2.030 14.565 -11.055 504 HB2 GLU 77 HB2 GLU 77 -0.335 14.858 -12.919 505 HB3 GLU 77 HB1 GLU 77 0.503 16.183 -12.125 506 HG2 GLU 77 HG2 GLU 77 1.944 14.281 -13.936 507 HG3 GLU 77 HG1 GLU 77 1.068 15.676 -14.563 508 H MET 78 HN MET 78 1.089 12.844 -9.314 509 HA MET 78 HA MET 78 -1.583 13.596 -8.437 510 HB2 MET 78 HB2 MET 78 0.413 11.686 -7.199 511 HB3 MET 78 HB1 MET 78 -1.266 11.880 -6.711 512 HG2 MET 78 HG2 MET 78 -2.067 10.943 -8.716 513 HG3 MET 78 HG1 MET 78 -0.492 11.066 -9.494 514 HE1 MET 78 HE1 MET 78 -2.857 9.026 -7.253 515 HE2 MET 78 HE2 MET 78 -1.774 9.644 -6.006 516 HE3 MET 78 HE3 MET 78 -1.781 7.924 -6.394 517 H GLU 79 HN GLU 79 -2.042 14.648 -6.493 518 HA GLU 79 HA GLU 79 0.213 16.174 -5.386 519 HB2 GLU 79 HB2 GLU 79 -2.736 16.816 -5.184 520 HB3 GLU 79 HB1 GLU 79 -1.392 17.861 -4.742 521 HG2 GLU 79 HG2 GLU 79 -2.113 16.951 -7.518 522 HG3 GLU 79 HG1 GLU 79 -2.357 18.558 -6.838 523 H ASP 80 HN ASP 80 -0.359 16.921 -3.019 524 HA ASP 80 HA ASP 80 -0.446 14.529 -1.456 525 HB2 ASP 80 HB2 ASP 80 0.153 17.368 -0.986 526 HB3 ASP 80 HB1 ASP 80 -0.609 16.554 0.376 527 H GLU 81 HN GLU 81 -1.948 13.884 0.026 528 HA GLU 81 HA GLU 81 -3.977 13.518 0.950 529 HB2 GLU 81 HB2 GLU 81 -4.361 16.447 0.347 530 HB3 GLU 81 HB1 GLU 81 -5.551 15.473 1.195 531 HG2 GLU 81 HG2 GLU 81 -3.589 14.904 2.785 532 HG3 GLU 81 HG1 GLU 81 -2.840 16.339 2.085 533 H ASP 82 HN ASP 82 -3.476 13.174 -1.947 534 HA ASP 82 HA ASP 82 -6.039 13.689 -3.183 535 HB2 ASP 82 HB2 ASP 82 -3.406 13.086 -4.114 536 HB3 ASP 82 HB1 ASP 82 -4.503 11.852 -4.731 537 H THR 83 HN THR 83 -7.667 12.278 -3.435 538 HA THR 83 HA THR 83 -7.554 9.839 -1.887 539 HB THR 83 HB THR 83 -9.977 10.632 -3.431 540 HG1 THR 83 HG1 THR 83 -10.356 12.369 -2.186 541 HG21 THR 83 HG21 THR 83 -9.508 9.628 -0.622 542 HG22 THR 83 HG22 THR 83 -10.047 8.662 -1.996 543 HG23 THR 83 HG23 THR 83 -11.084 9.933 -1.346 544 H ILE 84 HN ILE 84 -7.759 7.793 -2.629 545 HA ILE 84 HA ILE 84 -7.848 7.384 -5.551 546 HB ILE 84 HB ILE 84 -6.373 5.660 -3.546 547 HG12 ILE 84 HG12 ILE 84 -5.238 7.595 -5.579 548 HG13 ILE 84 HG11 ILE 84 -5.319 7.891 -3.846 549 HG21 ILE 84 HG21 ILE 84 -7.132 4.383 -5.436 550 HG22 ILE 84 HG22 ILE 84 -5.393 4.636 -5.588 551 HG23 ILE 84 HG23 ILE 84 -6.512 5.595 -6.556 552 HD11 ILE 84 HD11 ILE 84 -3.844 5.982 -3.462 553 HD12 ILE 84 HD12 ILE 84 -3.102 7.194 -4.509 554 HD13 ILE 84 HD13 ILE 84 -3.754 5.708 -5.203 555 H ASP 85 HN ASP 85 -9.331 5.908 -6.267 556 HA ASP 85 HA ASP 85 -11.155 4.846 -4.242 557 HB2 ASP 85 HB2 ASP 85 -11.406 5.230 -7.220 558 HB3 ASP 85 HB1 ASP 85 -12.584 4.312 -6.292 559 H VAL 86 HN VAL 86 -11.558 2.752 -3.908 560 HA VAL 86 HA VAL 86 -10.021 0.781 -5.468 561 HB VAL 86 HB VAL 86 -10.839 0.539 -2.566 562 HG11 VAL 86 HG11 VAL 86 -10.636 -1.605 -3.706 563 HG12 VAL 86 HG12 VAL 86 -9.316 -1.389 -2.556 564 HG13 VAL 86 HG13 VAL 86 -9.029 -1.161 -4.281 565 HG21 VAL 86 HG21 VAL 86 -8.111 1.134 -3.710 566 HG22 VAL 86 HG22 VAL 86 -8.497 0.889 -2.007 567 HG23 VAL 86 HG23 VAL 86 -9.141 2.288 -2.864 568 H PHE 87 HN PHE 87 -11.316 -0.467 -6.665 569 HA PHE 87 HA PHE 87 -14.063 -0.919 -5.692 570 HB2 PHE 87 HB2 PHE 87 -13.007 -0.847 -8.525 571 HB3 PHE 87 HB1 PHE 87 -14.659 -1.270 -8.088 572 HD1 PHE 87 HD1 PHE 87 -15.988 0.482 -6.767 573 HD2 PHE 87 HD2 PHE 87 -12.438 1.358 -8.936 574 HE1 PHE 87 HE1 PHE 87 -16.617 2.861 -6.825 575 HE2 PHE 87 HE2 PHE 87 -13.057 3.737 -8.998 576 HZ PHE 87 HZ PHE 87 -15.147 4.493 -7.942 577 H GLN 88 HN GLN 88 -15.052 -2.968 -6.430 578 HA GLN 88 HA GLN 88 -13.163 -5.171 -6.075 579 HB2 GLN 88 HB2 GLN 88 -16.126 -4.865 -5.697 580 HB3 GLN 88 HB1 GLN 88 -15.416 -6.463 -5.867 581 HG2 GLN 88 HG2 GLN 88 -14.557 -4.467 -3.796 582 HG3 GLN 88 HG1 GLN 88 -15.780 -5.704 -3.522 583 HE21 GLN 88 HE21 GLN 88 -13.293 -5.366 -2.140 584 HE22 GLN 88 HE22 GLN 88 -12.375 -6.806 -2.399 585 H GLN 89 HN GLN 89 -13.095 -6.936 -7.487 586 HA GLN 89 HA GLN 89 -13.882 -6.324 -10.209 587 HB2 GLN 89 HB2 GLN 89 -11.659 -7.276 -9.753 588 HB3 GLN 89 HB1 GLN 89 -12.408 -8.715 -9.078 589 HG2 GLN 89 HG2 GLN 89 -11.561 -9.006 -11.384 590 HG3 GLN 89 HG1 GLN 89 -13.282 -9.342 -11.210 591 HE21 GLN 89 HE21 GLN 89 -13.705 -9.004 -13.371 592 HE22 GLN 89 HE22 GLN 89 -13.688 -7.426 -14.082 593 H GLN 90 HN GLN 90 -15.240 -7.612 -11.478 594 HA GLN 90 HA GLN 90 -17.590 -8.520 -10.275 595 HB2 GLN 90 HB2 GLN 90 -16.421 -8.889 -13.026 596 HB3 GLN 90 HB1 GLN 90 -17.955 -9.622 -12.582 597 HG2 GLN 90 HG2 GLN 90 -18.457 -7.608 -13.694 598 HG3 GLN 90 HG1 GLN 90 -18.763 -7.325 -11.981 599 HE21 GLN 90 HE21 GLN 90 -18.566 -5.101 -12.279 600 HE22 GLN 90 HE22 GLN 90 -17.026 -4.341 -12.496 601 H THR 91 HN THR 91 -17.847 -10.258 -9.048 602 HA THR 91 HA THR 91 -16.057 -12.429 -8.915 603 HB THR 91 HB THR 91 -18.810 -12.963 -8.032 604 HG1 THR 91 HG1 THR 91 -18.545 -11.333 -6.313 605 HG21 THR 91 HG21 THR 91 -17.677 -13.472 -5.926 606 HG22 THR 91 HG22 THR 91 -16.168 -12.819 -6.568 607 HG23 THR 91 HG23 THR 91 -16.876 -14.272 -7.278 608 H GLY 92 HN GLY 92 -18.953 -11.854 -10.782 609 HA2 GLY 92 HA2 GLY 92 -18.804 -13.238 -12.934 610 HA3 GLY 92 HA1 GLY 92 -18.864 -14.606 -11.826 611 H1 ASP 195 HN ASP 195 -13.790 6.038 14.883 612 HA ASP 195 HA ASP 195 -14.911 5.987 12.417 613 HB2 ASP 195 HB2 ASP 195 -13.153 8.371 12.744 614 HB3 ASP 195 HB1 ASP 195 -13.077 7.497 11.220 615 H THR 196 HN THR 196 -12.917 5.646 10.616 616 HA THR 196 HA THR 196 -11.072 3.802 12.014 617 HB THR 196 HB THR 196 -11.677 3.378 9.137 618 HG1 THR 196 HG1 THR 196 -13.539 2.842 11.229 619 HG21 THR 196 HG21 THR 196 -11.612 1.018 9.836 620 HG22 THR 196 HG22 THR 196 -11.412 1.532 11.510 621 HG23 THR 196 HG23 THR 196 -10.156 1.892 10.324 622 H ALA 197 HN ALA 197 -8.977 4.362 11.820 623 HA ALA 197 HA ALA 197 -8.163 5.837 9.408 624 HB1 ALA 197 HB1 ALA 197 -6.629 7.168 10.695 625 HB2 ALA 197 HB2 ALA 197 -7.047 6.295 12.170 626 HB3 ALA 197 HB3 ALA 197 -8.245 7.330 11.389 627 H GLY 198 HN GLY 198 -6.601 4.881 8.290 628 HA2 GLY 198 HA2 GLY 198 -4.870 2.935 9.687 629 HA3 GLY 198 HA1 GLY 198 -5.495 2.662 8.064 630 H CYS 199 HN CYS 199 -2.690 3.258 9.457 631 HA CYS 199 HA CYS 199 -1.885 5.184 7.377 632 HB2 CYS 199 HB2 CYS 199 -0.528 4.754 10.040 633 HB3 CYS 199 HB1 CYS 199 -0.131 5.982 8.845 634 HG CYS 199 HG CYS 199 -2.968 6.940 9.210 635 H ILE 200 HN ILE 200 -0.556 4.421 5.895 636 HA ILE 200 HA ILE 200 1.162 2.116 6.548 637 HB ILE 200 HB ILE 200 -0.233 2.549 3.897 638 HG12 ILE 200 HG12 ILE 200 -0.837 0.629 6.159 639 HG13 ILE 200 HG11 ILE 200 -1.886 1.903 5.543 640 HG21 ILE 200 HG21 ILE 200 0.586 0.308 3.370 641 HG22 ILE 200 HG22 ILE 200 1.425 0.248 4.920 642 HG23 ILE 200 HG23 ILE 200 1.913 1.420 3.696 643 HD11 ILE 200 HD11 ILE 200 -2.695 -0.177 4.724 644 HD12 ILE 200 HD12 ILE 200 -1.092 -0.645 4.161 645 HD13 ILE 200 HD13 ILE 200 -1.951 0.673 3.367 646 H VAL 201 HN VAL 201 3.295 2.396 6.033 647 HA VAL 201 HA VAL 201 3.937 4.597 4.182 648 HB VAL 201 HB VAL 201 4.620 5.234 6.440 649 HG11 VAL 201 HG11 VAL 201 4.903 3.068 7.469 650 HG12 VAL 201 HG12 VAL 201 6.416 3.970 7.595 651 HG13 VAL 201 HG13 VAL 201 6.247 2.695 6.388 652 HG21 VAL 201 HG21 VAL 201 6.903 5.822 5.972 653 HG22 VAL 201 HG22 VAL 201 5.992 5.885 4.465 654 HG23 VAL 201 HG23 VAL 201 7.049 4.515 4.797 655 H ILE 202 HN ILE 202 5.135 4.051 2.431 656 HA ILE 202 HA ILE 202 6.526 1.467 2.512 657 HB ILE 202 HB ILE 202 5.999 1.035 0.192 658 HG12 ILE 202 HG12 ILE 202 4.590 3.702 0.306 659 HG13 ILE 202 HG11 ILE 202 5.848 3.174 -0.805 660 HG21 ILE 202 HG21 ILE 202 4.460 0.237 1.925 661 HG22 ILE 202 HG22 ILE 202 3.630 0.543 0.402 662 HG23 ILE 202 HG23 ILE 202 3.487 1.694 1.730 663 HD11 ILE 202 HD11 ILE 202 4.250 2.744 -2.253 664 HD12 ILE 202 HD12 ILE 202 2.990 2.957 -1.033 665 HD13 ILE 202 HD13 ILE 202 3.775 1.392 -1.225 666 H SEP 203 HN SEP 203 8.605 1.473 1.910 667 HA SEP 203 HA SEP 203 9.659 3.891 0.621 668 HB2 SEP 203 HB1 SEP 203 11.843 3.225 1.792 669 HB3 SEP 203 HB2 SEP 203 10.856 2.152 2.781 670 H ASP 204 HN ASP 204 10.733 3.582 -1.256 671 HA ASP 204 HA ASP 204 11.421 0.810 -1.951 672 HB2 ASP 204 HB2 ASP 204 9.429 1.925 -3.170 673 HB3 ASP 204 HB1 ASP 204 10.665 2.826 -4.040 674 H SEP 205 HN SEP 205 13.442 0.437 -2.543 675 HA SEP 205 HA SEP 205 15.149 2.740 -3.196 676 HB2 SEP 205 HB1 SEP 205 15.746 1.790 -1.039 677 HB3 SEP 205 HB2 SEP 205 17.009 1.410 -2.209 678 H GLU 206 HN GLU 206 16.171 2.687 -5.106 679 HA GLU 206 HA GLU 206 15.744 0.389 -6.822 680 HB2 GLU 206 HB2 GLU 206 15.409 2.711 -7.637 681 HB3 GLU 206 HB1 GLU 206 17.131 3.001 -7.428 682 HG2 GLU 206 HG2 GLU 206 16.574 2.525 -9.749 683 HG3 GLU 206 HG1 GLU 206 17.645 1.301 -9.073 Start of MODEL 9 1 H1 ASP 16 HN ASP 16 11.436 13.560 -0.932 2 HA ASP 16 HA ASP 16 10.081 15.296 0.796 3 HB2 ASP 16 HB2 ASP 16 10.236 16.616 -1.478 4 HB3 ASP 16 HB1 ASP 16 8.921 15.548 -1.958 5 H HIS 17 HN HIS 17 7.885 14.607 1.185 6 HA HIS 17 HA HIS 17 7.316 11.934 0.078 7 HB2 HIS 17 HB2 HIS 17 7.291 12.946 2.873 8 HB3 HIS 17 HB1 HIS 17 5.995 11.846 2.421 9 HD2 HIS 17 HD2 HIS 17 6.814 9.230 1.755 10 HE1 HIS 17 HE1 HIS 17 10.684 9.733 3.384 11 HE2 HIS 17 HE2 HIS 17 9.004 8.041 2.511 12 H ILE 18 HN ILE 18 5.090 11.365 -0.144 13 HA ILE 18 HA ILE 18 3.255 13.662 -0.131 14 HB ILE 18 HB ILE 18 3.872 13.272 -2.436 15 HG12 ILE 18 HG12 ILE 18 1.119 12.123 -1.943 16 HG13 ILE 18 HG11 ILE 18 1.507 13.840 -1.904 17 HG21 ILE 18 HG21 ILE 18 3.434 11.140 -3.562 18 HG22 ILE 18 HG22 ILE 18 2.988 10.426 -2.012 19 HG23 ILE 18 HG23 ILE 18 4.639 10.984 -2.283 20 HD11 ILE 18 HD11 ILE 18 2.127 13.776 -4.244 21 HD12 ILE 18 HD12 ILE 18 0.489 13.163 -4.020 22 HD13 ILE 18 HD13 ILE 18 1.821 12.041 -4.295 23 H ASN 19 HN ASN 19 1.276 13.299 0.737 24 HA ASN 19 HA ASN 19 0.845 10.629 1.881 25 HB2 ASN 19 HB2 ASN 19 -0.574 13.211 2.563 26 HB3 ASN 19 HB1 ASN 19 -0.685 11.686 3.436 27 HD21 ASN 19 HD21 ASN 19 1.196 14.504 2.818 28 HD22 ASN 19 HD22 ASN 19 2.366 14.247 4.071 29 H LEU 20 HN LEU 20 -0.419 9.343 0.756 30 HA LEU 20 HA LEU 20 -2.563 10.500 -0.879 31 HB2 LEU 20 HB2 LEU 20 -1.482 7.679 -0.850 32 HB3 LEU 20 HB1 LEU 20 -2.648 8.325 -1.986 33 HG LEU 20 HG LEU 20 0.241 9.152 -1.736 34 HD11 LEU 20 HD11 LEU 20 0.537 8.139 -3.885 35 HD12 LEU 20 HD12 LEU 20 -1.183 7.772 -3.997 36 HD13 LEU 20 HD13 LEU 20 -0.184 6.950 -2.799 37 HD21 LEU 20 HD21 LEU 20 -1.970 10.193 -3.490 38 HD22 LEU 20 HD22 LEU 20 -0.257 10.476 -3.800 39 HD23 LEU 20 HD23 LEU 20 -1.000 11.095 -2.325 40 H LYS 21 HN LYS 21 -4.685 9.320 -0.858 41 HA LYS 21 HA LYS 21 -5.187 8.093 1.764 42 HB2 LYS 21 HB2 LYS 21 -6.768 10.316 0.475 43 HB3 LYS 21 HB1 LYS 21 -7.394 9.337 1.798 44 HG2 LYS 21 HG2 LYS 21 -5.481 10.044 3.184 45 HG3 LYS 21 HG1 LYS 21 -4.941 11.081 1.864 46 HD2 LYS 21 HD2 LYS 21 -6.942 12.412 2.027 47 HD3 LYS 21 HD1 LYS 21 -7.624 11.312 3.229 48 HE2 LYS 21 HE2 LYS 21 -5.829 11.867 4.776 49 HE3 LYS 21 HE1 LYS 21 -5.104 12.930 3.576 50 HZ1 LYS 21 HZ1 LYS 21 -6.944 14.408 3.726 51 HZ2 LYS 21 HZ2 LYS 21 -6.441 14.071 5.304 52 HZ3 LYS 21 HZ3 LYS 21 -7.823 13.324 4.688 53 H VAL 22 HN VAL 22 -6.321 6.309 1.738 54 HA VAL 22 HA VAL 22 -7.255 5.259 -0.804 55 HB VAL 22 HB VAL 22 -7.272 3.948 1.921 56 HG11 VAL 22 HG11 VAL 22 -8.782 2.888 0.340 57 HG12 VAL 22 HG12 VAL 22 -7.393 1.851 0.664 58 HG13 VAL 22 HG13 VAL 22 -7.481 2.764 -0.842 59 HG21 VAL 22 HG21 VAL 22 -5.011 4.570 1.328 60 HG22 VAL 22 HG22 VAL 22 -5.194 3.823 -0.258 61 HG23 VAL 22 HG23 VAL 22 -5.212 2.825 1.195 62 H ALA 23 HN ALA 23 -9.350 5.012 -1.392 63 HA ALA 23 HA ALA 23 -11.398 5.891 0.525 64 HB1 ALA 23 HB1 ALA 23 -11.497 5.776 -2.489 65 HB2 ALA 23 HB2 ALA 23 -11.304 7.224 -1.502 66 HB3 ALA 23 HB3 ALA 23 -12.811 6.313 -1.444 67 H GLY 24 HN GLY 24 -11.889 4.032 1.601 68 HA2 GLY 24 HA2 GLY 24 -12.374 1.570 0.157 69 HA3 GLY 24 HA1 GLY 24 -12.486 1.801 1.896 70 H GLN 25 HN GLN 25 -14.343 0.430 0.141 71 HA GLN 25 HA GLN 25 -16.634 2.090 -0.275 72 HB2 GLN 25 HB2 GLN 25 -16.451 -0.924 -0.190 73 HB3 GLN 25 HB1 GLN 25 -17.802 0.007 -0.818 74 HG2 GLN 25 HG2 GLN 25 -15.012 -0.101 -1.940 75 HG3 GLN 25 HG1 GLN 25 -16.464 -0.817 -2.635 76 HE21 GLN 25 HE21 GLN 25 -14.550 1.192 -3.666 77 HE22 GLN 25 HE22 GLN 25 -15.517 2.559 -4.110 78 H ASP 26 HN ASP 26 -15.289 0.769 2.473 79 HA ASP 26 HA ASP 26 -17.850 0.496 3.865 80 HB2 ASP 26 HB2 ASP 26 -16.537 -0.494 5.696 81 HB3 ASP 26 HB1 ASP 26 -16.254 -1.334 4.176 82 H GLY 27 HN GLY 27 -15.578 2.829 3.222 83 HA2 GLY 27 HA2 GLY 27 -15.838 5.063 3.984 84 HA3 GLY 27 HA1 GLY 27 -16.566 4.447 5.458 85 H SER 28 HN SER 28 -13.937 2.552 4.964 86 HA SER 28 HA SER 28 -12.470 3.707 7.105 87 HB2 SER 28 HB2 SER 28 -10.722 2.006 6.452 88 HB3 SER 28 HB1 SER 28 -12.328 1.332 6.735 89 HG SER 28 HG SER 28 -12.627 1.075 4.572 90 H VAL 29 HN VAL 29 -10.746 5.066 7.116 91 HA VAL 29 HA VAL 29 -9.822 6.053 4.506 92 HB VAL 29 HB VAL 29 -10.907 7.850 5.647 93 HG11 VAL 29 HG11 VAL 29 -10.664 6.762 7.937 94 HG12 VAL 29 HG12 VAL 29 -10.543 8.520 7.868 95 HG13 VAL 29 HG13 VAL 29 -9.084 7.541 8.012 96 HG21 VAL 29 HG21 VAL 29 -7.922 8.163 5.963 97 HG22 VAL 29 HG22 VAL 29 -9.097 9.474 5.881 98 HG23 VAL 29 HG23 VAL 29 -8.839 8.434 4.482 99 H VAL 30 HN VAL 30 -7.847 5.463 3.978 100 HA VAL 30 HA VAL 30 -5.919 4.953 6.142 101 HB VAL 30 HB VAL 30 -6.027 3.575 3.453 102 HG11 VAL 30 HG11 VAL 30 -4.280 2.111 4.399 103 HG12 VAL 30 HG12 VAL 30 -4.207 3.157 5.816 104 HG13 VAL 30 HG13 VAL 30 -3.751 3.786 4.232 105 HG21 VAL 30 HG21 VAL 30 -6.569 1.554 4.802 106 HG22 VAL 30 HG22 VAL 30 -7.832 2.785 4.818 107 HG23 VAL 30 HG23 VAL 30 -6.764 2.602 6.209 108 H GLN 31 HN GLN 31 -4.214 6.198 6.159 109 HA GLN 31 HA GLN 31 -3.663 7.944 3.890 110 HB2 GLN 31 HB2 GLN 31 -3.782 8.952 6.123 111 HB3 GLN 31 HB1 GLN 31 -2.506 7.883 6.687 112 HG2 GLN 31 HG2 GLN 31 -0.969 8.922 5.053 113 HG3 GLN 31 HG1 GLN 31 -2.250 10.052 4.614 114 HE21 GLN 31 HE21 GLN 31 0.403 10.503 5.808 115 HE22 GLN 31 HE22 GLN 31 0.115 11.362 7.281 116 H PHE 32 HN PHE 32 -2.117 7.507 2.490 117 HA PHE 32 HA PHE 32 -0.196 5.383 3.153 118 HB2 PHE 32 HB2 PHE 32 -1.784 5.983 0.811 119 HB3 PHE 32 HB1 PHE 32 -0.075 5.908 0.404 120 HD1 PHE 32 HD1 PHE 32 -2.988 4.033 1.475 121 HD2 PHE 32 HD2 PHE 32 1.192 3.846 0.730 122 HE1 PHE 32 HE1 PHE 32 -3.114 1.579 1.430 123 HE2 PHE 32 HE2 PHE 32 1.078 1.390 0.683 124 HZ PHE 32 HZ PHE 32 -1.081 0.253 1.028 125 H LYS 33 HN LYS 33 1.726 6.089 3.709 126 HA LYS 33 HA LYS 33 2.712 8.644 2.699 127 HB2 LYS 33 HB2 LYS 33 2.999 8.138 5.100 128 HB3 LYS 33 HB1 LYS 33 3.933 6.708 4.685 129 HG2 LYS 33 HG2 LYS 33 5.736 7.969 3.900 130 HG3 LYS 33 HG1 LYS 33 4.775 9.444 3.797 131 HD2 LYS 33 HD2 LYS 33 4.712 9.680 6.153 132 HD3 LYS 33 HD1 LYS 33 5.331 8.045 6.399 133 HE2 LYS 33 HE2 LYS 33 7.489 8.636 5.654 134 HE3 LYS 33 HE1 LYS 33 6.921 10.159 4.969 135 HZ1 LYS 33 HZ1 LYS 33 8.099 10.489 7.053 136 HZ2 LYS 33 HZ2 LYS 33 6.999 9.500 7.863 137 HZ3 LYS 33 HZ3 LYS 33 6.487 10.969 7.198 138 H ILE 34 HN ILE 34 3.688 8.611 0.797 139 HA ILE 34 HA ILE 34 5.501 6.394 0.167 140 HB ILE 34 HB ILE 34 3.413 5.789 -0.876 141 HG12 ILE 34 HG12 ILE 34 5.287 6.945 -2.954 142 HG13 ILE 34 HG11 ILE 34 5.430 5.354 -2.214 143 HG21 ILE 34 HG21 ILE 34 2.438 8.062 -0.850 144 HG22 ILE 34 HG22 ILE 34 2.187 7.204 -2.371 145 HG23 ILE 34 HG23 ILE 34 3.420 8.461 -2.259 146 HD11 ILE 34 HD11 ILE 34 3.761 6.255 -4.419 147 HD12 ILE 34 HD12 ILE 34 2.889 5.307 -3.217 148 HD13 ILE 34 HD13 ILE 34 4.318 4.634 -4.001 149 H LYS 35 HN LYS 35 7.111 6.920 -1.402 150 HA LYS 35 HA LYS 35 7.848 9.705 -1.401 151 HB2 LYS 35 HB2 LYS 35 9.169 7.220 -2.488 152 HB3 LYS 35 HB1 LYS 35 9.830 8.826 -2.751 153 HG2 LYS 35 HG2 LYS 35 9.849 9.100 -0.245 154 HG3 LYS 35 HG1 LYS 35 9.483 7.377 -0.144 155 HD2 LYS 35 HD2 LYS 35 11.512 6.827 -1.326 156 HD3 LYS 35 HD1 LYS 35 11.855 8.536 -1.604 157 HE2 LYS 35 HE2 LYS 35 13.212 8.086 0.198 158 HE3 LYS 35 HE1 LYS 35 11.760 8.683 0.999 159 HZ1 LYS 35 HZ1 LYS 35 12.354 5.811 0.564 160 HZ2 LYS 35 HZ2 LYS 35 11.082 6.460 1.482 161 HZ3 LYS 35 HZ3 LYS 35 12.683 6.642 1.995 162 H ARG 36 HN ARG 36 8.369 10.862 -3.373 163 HA ARG 36 HA ARG 36 6.241 10.822 -5.219 164 HB2 ARG 36 HB2 ARG 36 8.920 12.206 -5.335 165 HB3 ARG 36 HB1 ARG 36 7.598 12.515 -6.449 166 HG2 ARG 36 HG2 ARG 36 6.911 12.747 -3.603 167 HG3 ARG 36 HG1 ARG 36 8.068 13.937 -4.206 168 HD2 ARG 36 HD2 ARG 36 5.349 13.345 -5.379 169 HD3 ARG 36 HD1 ARG 36 5.773 14.748 -4.400 170 HE ARG 36 HE ARG 36 7.536 14.895 -6.437 171 HH11 ARG 36 HH11 ARG 36 4.058 14.568 -6.316 172 HH12 ARG 36 HH12 ARG 36 3.798 15.397 -7.814 173 HH21 ARG 36 HH21 ARG 36 7.199 15.978 -8.421 174 HH22 ARG 36 HH22 ARG 36 5.582 16.203 -9.012 175 H HIS 37 HN HIS 37 9.415 9.361 -5.274 176 HA HIS 37 HA HIS 37 9.056 8.607 -8.082 177 HB2 HIS 37 HB2 HIS 37 11.427 7.905 -7.999 178 HB3 HIS 37 HB1 HIS 37 11.202 9.598 -7.584 179 HD2 HIS 37 HD2 HIS 37 11.690 10.243 -4.876 180 HE1 HIS 37 HE1 HIS 37 13.606 6.552 -4.062 181 HE2 HIS 37 HE2 HIS 37 13.169 8.902 -3.212 182 H THR 38 HN THR 38 7.973 7.339 -5.372 183 HA THR 38 HA THR 38 8.905 4.611 -5.774 184 HB THR 38 HB THR 38 7.083 5.830 -3.697 185 HG1 THR 38 HG1 THR 38 9.795 5.245 -3.898 186 HG21 THR 38 HG21 THR 38 8.024 2.965 -3.945 187 HG22 THR 38 HG22 THR 38 6.363 3.538 -4.063 188 HG23 THR 38 HG23 THR 38 7.229 3.652 -2.532 189 HA PRO 39 HA PRO 39 5.625 3.604 -8.617 190 HB2 PRO 39 HB2 PRO 39 6.118 0.871 -7.544 191 HB3 PRO 39 HB1 PRO 39 6.106 1.441 -9.219 192 HG2 PRO 39 HG2 PRO 39 8.397 0.882 -8.009 193 HG3 PRO 39 HG1 PRO 39 8.257 2.257 -9.122 194 HD2 PRO 39 HD2 PRO 39 8.378 2.248 -6.146 195 HD3 PRO 39 HD1 PRO 39 9.046 3.413 -7.306 196 H LEU 40 HN LEU 40 3.477 3.455 -8.433 197 HA LEU 40 HA LEU 40 2.263 3.393 -5.860 198 HB2 LEU 40 HB2 LEU 40 1.080 3.335 -8.632 199 HB3 LEU 40 HB1 LEU 40 0.125 3.455 -7.167 200 HG LEU 40 HG LEU 40 2.260 5.467 -7.816 201 HD11 LEU 40 HD11 LEU 40 0.793 5.473 -9.721 202 HD12 LEU 40 HD12 LEU 40 0.435 6.882 -8.719 203 HD13 LEU 40 HD13 LEU 40 -0.626 5.474 -8.675 204 HD21 LEU 40 HD21 LEU 40 -0.211 5.533 -6.085 205 HD22 LEU 40 HD22 LEU 40 0.882 6.889 -6.357 206 HD23 LEU 40 HD23 LEU 40 1.461 5.445 -5.525 207 H SER 41 HN SER 41 3.313 0.925 -7.852 208 HA SER 41 HA SER 41 1.343 -1.027 -7.628 209 HB2 SER 41 HB2 SER 41 3.928 -2.236 -7.427 210 HB3 SER 41 HB1 SER 41 2.871 -2.138 -8.836 211 HG SER 41 HG SER 41 4.854 -1.132 -9.267 212 H LYS 42 HN LYS 42 3.794 0.048 -5.344 213 HA LYS 42 HA LYS 42 3.591 -2.096 -3.510 214 HB2 LYS 42 HB2 LYS 42 4.314 0.791 -2.970 215 HB3 LYS 42 HB1 LYS 42 4.614 -0.556 -1.881 216 HG2 LYS 42 HG2 LYS 42 6.087 -1.553 -3.605 217 HG3 LYS 42 HG1 LYS 42 5.846 -0.108 -4.593 218 HD2 LYS 42 HD2 LYS 42 7.776 0.485 -3.526 219 HD3 LYS 42 HD1 LYS 42 6.607 1.098 -2.355 220 HE2 LYS 42 HE2 LYS 42 8.197 -0.075 -1.089 221 HE3 LYS 42 HE1 LYS 42 6.808 -1.155 -1.205 222 HZ1 LYS 42 HZ1 LYS 42 9.253 -1.309 -2.896 223 HZ2 LYS 42 HZ2 LYS 42 7.928 -2.370 -2.955 224 HZ3 LYS 42 HZ3 LYS 42 8.904 -2.312 -1.578 225 H LEU 43 HN LEU 43 1.851 0.910 -3.884 226 HA LEU 43 HA LEU 43 0.387 0.847 -1.473 227 HB2 LEU 43 HB2 LEU 43 0.579 2.901 -2.632 228 HB3 LEU 43 HB1 LEU 43 0.002 2.199 -4.131 229 HG LEU 43 HG LEU 43 -1.951 2.100 -1.939 230 HD11 LEU 43 HD11 LEU 43 -0.660 4.636 -2.765 231 HD12 LEU 43 HD12 LEU 43 -1.393 4.186 -1.226 232 HD13 LEU 43 HD13 LEU 43 -2.414 4.633 -2.591 233 HD21 LEU 43 HD21 LEU 43 -2.066 3.149 -4.766 234 HD22 LEU 43 HD22 LEU 43 -3.443 2.851 -3.706 235 HD23 LEU 43 HD23 LEU 43 -2.456 1.502 -4.271 236 H MET 44 HN MET 44 -0.162 -0.521 -4.649 237 HA MET 44 HA MET 44 -2.864 -1.293 -4.151 238 HB2 MET 44 HB2 MET 44 -0.895 -2.275 -6.224 239 HB3 MET 44 HB1 MET 44 -2.616 -2.633 -6.218 240 HG2 MET 44 HG2 MET 44 -2.929 -0.080 -6.260 241 HG3 MET 44 HG1 MET 44 -1.234 -0.031 -6.743 242 HE1 MET 44 HE1 MET 44 -1.311 -2.086 -10.094 243 HE2 MET 44 HE2 MET 44 -0.968 -2.678 -8.468 244 HE3 MET 44 HE3 MET 44 -0.302 -1.134 -9.004 245 H LYS 45 HN LYS 45 0.240 -2.699 -3.514 246 HA LYS 45 HA LYS 45 -0.878 -5.338 -3.017 247 HB2 LYS 45 HB2 LYS 45 1.945 -4.306 -2.723 248 HB3 LYS 45 HB1 LYS 45 1.454 -5.980 -2.523 249 HG2 LYS 45 HG2 LYS 45 0.742 -6.046 -4.866 250 HG3 LYS 45 HG1 LYS 45 1.264 -4.372 -5.062 251 HD2 LYS 45 HD2 LYS 45 3.058 -6.659 -4.257 252 HD3 LYS 45 HD1 LYS 45 2.923 -6.011 -5.889 253 HE2 LYS 45 HE2 LYS 45 3.710 -3.841 -5.107 254 HE3 LYS 45 HE1 LYS 45 3.802 -4.457 -3.462 255 HZ1 LYS 45 HZ1 LYS 45 5.439 -5.319 -5.778 256 HZ2 LYS 45 HZ2 LYS 45 5.442 -6.105 -4.284 257 HZ3 LYS 45 HZ3 LYS 45 5.973 -4.506 -4.394 258 H ALA 46 HN ALA 46 0.818 -2.818 -1.168 259 HA ALA 46 HA ALA 46 0.999 -4.014 1.290 260 HB1 ALA 46 HB1 ALA 46 2.041 -1.901 0.808 261 HB2 ALA 46 HB2 ALA 46 1.030 -1.748 2.245 262 HB3 ALA 46 HB3 ALA 46 0.468 -1.113 0.698 263 H TYR 47 HN TYR 47 -1.747 -1.953 0.253 264 HA TYR 47 HA TYR 47 -3.179 -2.466 2.665 265 HB2 TYR 47 HB2 TYR 47 -3.485 -0.441 1.175 266 HB3 TYR 47 HB1 TYR 47 -4.387 -1.483 0.081 267 HD1 TYR 47 HD1 TYR 47 -6.640 -0.911 0.222 268 HD2 TYR 47 HD2 TYR 47 -4.366 -1.189 3.806 269 HE1 TYR 47 HE1 TYR 47 -8.677 -0.515 1.540 270 HE2 TYR 47 HE2 TYR 47 -6.395 -0.795 5.132 271 HH TYR 47 HH TYR 47 -9.499 -0.991 3.857 272 H CYS 48 HN CYS 48 -3.098 -3.979 -0.487 273 HA CYS 48 HA CYS 48 -5.460 -5.494 -0.248 274 HB2 CYS 48 HB2 CYS 48 -4.123 -5.102 -2.357 275 HB3 CYS 48 HB1 CYS 48 -2.976 -6.298 -1.764 276 HG CYS 48 HG CYS 48 -4.668 -8.433 -1.875 277 H GLU 49 HN GLU 49 -2.104 -6.127 0.642 278 HA GLU 49 HA GLU 49 -2.475 -8.791 1.496 279 HB2 GLU 49 HB2 GLU 49 -0.412 -6.685 2.086 280 HB3 GLU 49 HB1 GLU 49 -0.356 -8.256 2.871 281 HG2 GLU 49 HG2 GLU 49 -0.494 -8.011 -0.109 282 HG3 GLU 49 HG1 GLU 49 1.037 -7.903 0.756 283 H ARG 50 HN ARG 50 -2.761 -5.680 3.121 284 HA ARG 50 HA ARG 50 -3.123 -6.735 5.727 285 HB2 ARG 50 HB2 ARG 50 -3.681 -4.080 4.451 286 HB3 ARG 50 HB1 ARG 50 -4.272 -4.418 6.072 287 HG2 ARG 50 HG2 ARG 50 -1.904 -4.998 6.699 288 HG3 ARG 50 HG1 ARG 50 -1.418 -4.355 5.128 289 HD2 ARG 50 HD2 ARG 50 -2.374 -2.197 5.697 290 HD3 ARG 50 HD1 ARG 50 -2.931 -2.831 7.245 291 HE ARG 50 HE ARG 50 -0.108 -3.129 6.906 292 HH11 ARG 50 HH11 ARG 50 -1.564 0.134 8.746 293 HH12 ARG 50 HH12 ARG 50 -2.616 -0.846 7.775 294 HH21 ARG 50 HH21 ARG 50 1.281 -1.834 8.197 295 HH22 ARG 50 HH22 ARG 50 0.644 -0.426 8.985 296 H GLN 51 HN GLN 51 -5.245 -6.198 3.019 297 HA GLN 51 HA GLN 51 -7.654 -6.603 4.557 298 HB2 GLN 51 HB2 GLN 51 -7.034 -6.210 1.651 299 HB3 GLN 51 HB1 GLN 51 -8.609 -6.830 2.124 300 HG2 GLN 51 HG2 GLN 51 -7.445 -4.270 3.192 301 HG3 GLN 51 HG1 GLN 51 -8.487 -4.355 1.774 302 HE21 GLN 51 HE21 GLN 51 -10.658 -4.879 2.032 303 HE22 GLN 51 HE22 GLN 51 -11.449 -4.815 3.566 304 H GLY 52 HN GLY 52 -5.265 -8.573 3.267 305 HA2 GLY 52 HA2 GLY 52 -5.028 -10.854 3.238 306 HA3 GLY 52 HA1 GLY 52 -6.574 -10.967 4.057 307 H LEU 53 HN LEU 53 -5.760 -9.625 0.870 308 HA LEU 53 HA LEU 53 -7.238 -11.799 -0.418 309 HB2 LEU 53 HB2 LEU 53 -7.878 -8.865 -0.702 310 HB3 LEU 53 HB1 LEU 53 -8.431 -10.081 -1.835 311 HG LEU 53 HG LEU 53 -9.111 -10.147 1.103 312 HD11 LEU 53 HD11 LEU 53 -9.963 -8.078 0.126 313 HD12 LEU 53 HD12 LEU 53 -11.273 -9.201 0.494 314 HD13 LEU 53 HD13 LEU 53 -10.724 -9.002 -1.171 315 HD21 LEU 53 HD21 LEU 53 -9.324 -12.278 -0.040 316 HD22 LEU 53 HD22 LEU 53 -10.289 -11.524 -1.310 317 HD23 LEU 53 HD23 LEU 53 -10.918 -11.625 0.333 318 H SER 54 HN SER 54 -7.082 -11.529 -2.886 319 HA SER 54 HA SER 54 -4.295 -10.993 -3.523 320 HB2 SER 54 HB2 SER 54 -5.202 -13.093 -4.334 321 HB3 SER 54 HB1 SER 54 -6.529 -12.251 -5.134 322 HG SER 54 HG SER 54 -4.018 -12.735 -6.022 323 H MET 55 HN MET 55 -3.600 -9.491 -5.019 324 HA MET 55 HA MET 55 -5.068 -7.097 -5.230 325 HB2 MET 55 HB2 MET 55 -2.522 -7.478 -5.328 326 HB3 MET 55 HB1 MET 55 -2.777 -7.825 -7.033 327 HG2 MET 55 HG2 MET 55 -3.753 -5.600 -7.332 328 HG3 MET 55 HG1 MET 55 -3.467 -5.256 -5.626 329 HE1 MET 55 HE1 MET 55 -1.081 -7.161 -8.225 330 HE2 MET 55 HE2 MET 55 -0.201 -5.761 -8.838 331 HE3 MET 55 HE3 MET 55 -1.938 -5.899 -9.109 332 H ARG 56 HN ARG 56 -5.139 -9.940 -7.090 333 HA ARG 56 HA ARG 56 -5.972 -8.800 -9.576 334 HB2 ARG 56 HB2 ARG 56 -4.884 -11.009 -9.397 335 HB3 ARG 56 HB1 ARG 56 -6.277 -11.619 -8.518 336 HG2 ARG 56 HG2 ARG 56 -7.674 -11.346 -10.463 337 HG3 ARG 56 HG1 ARG 56 -6.343 -10.593 -11.346 338 HD2 ARG 56 HD2 ARG 56 -5.060 -12.655 -11.202 339 HD3 ARG 56 HD1 ARG 56 -6.351 -13.410 -10.270 340 HE ARG 56 HE ARG 56 -7.610 -13.628 -12.207 341 HH11 ARG 56 HH11 ARG 56 -4.658 -11.857 -12.840 342 HH12 ARG 56 HH12 ARG 56 -4.800 -11.987 -14.563 343 HH21 ARG 56 HH21 ARG 56 -7.796 -13.807 -14.478 344 HH22 ARG 56 HH22 ARG 56 -6.581 -13.096 -15.496 345 H GLN 57 HN GLN 57 -7.519 -9.341 -6.605 346 HA GLN 57 HA GLN 57 -10.173 -9.690 -7.730 347 HB2 GLN 57 HB2 GLN 57 -9.517 -10.875 -5.672 348 HB3 GLN 57 HB1 GLN 57 -9.296 -9.332 -4.861 349 HG2 GLN 57 HG2 GLN 57 -11.646 -8.845 -5.052 350 HG3 GLN 57 HG1 GLN 57 -11.905 -10.306 -6.002 351 HE21 GLN 57 HE21 GLN 57 -13.077 -9.443 -3.462 352 HE22 GLN 57 HE22 GLN 57 -12.749 -10.726 -2.344 353 H ILE 58 HN ILE 58 -8.190 -7.096 -6.549 354 HA ILE 58 HA ILE 58 -10.531 -5.328 -6.455 355 HB ILE 58 HB ILE 58 -8.853 -3.681 -5.451 356 HG12 ILE 58 HG12 ILE 58 -7.312 -6.264 -5.127 357 HG13 ILE 58 HG11 ILE 58 -6.805 -4.854 -6.048 358 HG21 ILE 58 HG21 ILE 58 -9.830 -6.151 -4.056 359 HG22 ILE 58 HG22 ILE 58 -10.541 -4.537 -4.069 360 HG23 ILE 58 HG23 ILE 58 -9.039 -4.832 -3.194 361 HD11 ILE 58 HD11 ILE 58 -7.132 -5.042 -3.066 362 HD12 ILE 58 HD12 ILE 58 -6.763 -3.559 -3.942 363 HD13 ILE 58 HD13 ILE 58 -5.624 -4.905 -3.970 364 H ARG 59 HN ARG 59 -10.247 -3.125 -7.257 365 HA ARG 59 HA ARG 59 -8.379 -2.875 -9.509 366 HB2 ARG 59 HB2 ARG 59 -11.367 -2.424 -9.589 367 HB3 ARG 59 HB1 ARG 59 -10.273 -1.752 -10.787 368 HG2 ARG 59 HG2 ARG 59 -10.752 -4.667 -10.221 369 HG3 ARG 59 HG1 ARG 59 -11.277 -3.756 -11.639 370 HD2 ARG 59 HD2 ARG 59 -8.899 -3.330 -12.189 371 HD3 ARG 59 HD1 ARG 59 -8.434 -4.353 -10.832 372 HE ARG 59 HE ARG 59 -9.498 -5.204 -13.386 373 HH11 ARG 59 HH11 ARG 59 -8.748 -6.084 -10.076 374 HH12 ARG 59 HH12 ARG 59 -8.717 -7.792 -10.406 375 HH21 ARG 59 HH21 ARG 59 -9.467 -7.440 -13.814 376 HH22 ARG 59 HH22 ARG 59 -9.124 -8.557 -12.532 377 H PHE 60 HN PHE 60 -7.370 -0.962 -9.503 378 HA PHE 60 HA PHE 60 -8.341 1.066 -7.621 379 HB2 PHE 60 HB2 PHE 60 -5.609 0.576 -8.812 380 HB3 PHE 60 HB1 PHE 60 -6.007 1.991 -7.844 381 HD1 PHE 60 HD1 PHE 60 -5.832 -1.704 -7.762 382 HD2 PHE 60 HD2 PHE 60 -5.974 1.905 -5.519 383 HE1 PHE 60 HE1 PHE 60 -5.331 -2.964 -5.717 384 HE2 PHE 60 HE2 PHE 60 -5.475 0.651 -3.467 385 HZ PHE 60 HZ PHE 60 -5.153 -1.787 -3.563 386 H ARG 61 HN ARG 61 -8.780 3.123 -8.228 387 HA ARG 61 HA ARG 61 -8.338 3.826 -11.044 388 HB2 ARG 61 HB2 ARG 61 -10.924 4.035 -9.512 389 HB3 ARG 61 HB1 ARG 61 -10.615 4.972 -10.967 390 HG2 ARG 61 HG2 ARG 61 -10.218 2.823 -12.173 391 HG3 ARG 61 HG1 ARG 61 -10.752 1.981 -10.718 392 HD2 ARG 61 HD2 ARG 61 -12.893 3.234 -10.845 393 HD3 ARG 61 HD1 ARG 61 -12.356 3.916 -12.379 394 HE ARG 61 HE ARG 61 -12.158 1.156 -12.612 395 HH11 ARG 61 HH11 ARG 61 -15.901 2.607 -12.878 396 HH12 ARG 61 HH12 ARG 61 -14.661 3.552 -12.114 397 HH21 ARG 61 HH21 ARG 61 -13.800 -0.103 -13.621 398 HH22 ARG 61 HH22 ARG 61 -15.409 0.538 -13.742 399 H PHE 62 HN PHE 62 -7.681 5.819 -11.411 400 HA PHE 62 HA PHE 62 -7.870 7.840 -9.301 401 HB2 PHE 62 HB2 PHE 62 -5.620 6.835 -9.121 402 HB3 PHE 62 HB1 PHE 62 -5.339 7.157 -10.828 403 HD1 PHE 62 HD1 PHE 62 -6.209 8.912 -7.662 404 HD2 PHE 62 HD2 PHE 62 -4.259 9.101 -11.437 405 HE1 PHE 62 HE1 PHE 62 -5.322 11.133 -7.086 406 HE2 PHE 62 HE2 PHE 62 -3.368 11.322 -10.868 407 HZ PHE 62 HZ PHE 62 -3.902 12.340 -8.691 408 H ASP 63 HN ASP 63 -8.557 9.729 -10.107 409 HA ASP 63 HA ASP 63 -9.205 11.339 -11.573 410 HB2 ASP 63 HB2 ASP 63 -6.770 11.311 -12.183 411 HB3 ASP 63 HB1 ASP 63 -7.152 10.168 -13.462 412 H GLY 64 HN GLY 64 -10.351 8.645 -11.502 413 HA2 GLY 64 HA2 GLY 64 -12.186 7.673 -12.499 414 HA3 GLY 64 HA1 GLY 64 -12.106 8.899 -13.756 415 H GLN 65 HN GLN 65 -9.107 7.491 -13.444 416 HA GLN 65 HA GLN 65 -9.695 5.571 -15.603 417 HB2 GLN 65 HB2 GLN 65 -7.024 6.909 -15.276 418 HB3 GLN 65 HB1 GLN 65 -7.704 6.146 -16.703 419 HG2 GLN 65 HG2 GLN 65 -8.737 8.704 -15.508 420 HG3 GLN 65 HG1 GLN 65 -7.560 8.624 -16.816 421 HE21 GLN 65 HE21 GLN 65 -10.312 9.707 -16.664 422 HE22 GLN 65 HE22 GLN 65 -11.159 8.959 -17.974 423 HA PRO 66 HA PRO 66 -7.937 2.453 -12.975 424 HB2 PRO 66 HB2 PRO 66 -6.916 1.149 -15.418 425 HB3 PRO 66 HB1 PRO 66 -8.080 0.552 -14.231 426 HG2 PRO 66 HG2 PRO 66 -8.849 1.276 -16.681 427 HG3 PRO 66 HG1 PRO 66 -9.870 1.556 -15.257 428 HD2 PRO 66 HD2 PRO 66 -8.161 3.496 -16.758 429 HD3 PRO 66 HD1 PRO 66 -9.779 3.717 -16.057 430 H ILE 67 HN ILE 67 -5.935 1.860 -12.119 431 HA ILE 67 HA ILE 67 -3.659 3.392 -13.140 432 HB ILE 67 HB ILE 67 -3.738 1.859 -10.546 433 HG12 ILE 67 HG12 ILE 67 -4.529 4.749 -10.977 434 HG13 ILE 67 HG11 ILE 67 -5.648 3.437 -10.623 435 HG21 ILE 67 HG21 ILE 67 -2.015 3.476 -9.872 436 HG22 ILE 67 HG22 ILE 67 -2.102 4.219 -11.469 437 HG23 ILE 67 HG23 ILE 67 -1.536 2.558 -11.301 438 HD11 ILE 67 HD11 ILE 67 -4.459 3.087 -8.474 439 HD12 ILE 67 HD12 ILE 67 -5.236 4.665 -8.620 440 HD13 ILE 67 HD13 ILE 67 -3.490 4.516 -8.831 441 H ASN 68 HN ASN 68 -1.688 2.455 -13.659 442 HA ASN 68 HA ASN 68 -1.820 -0.387 -14.340 443 HB2 ASN 68 HB2 ASN 68 -0.074 1.909 -15.184 444 HB3 ASN 68 HB1 ASN 68 0.485 0.258 -15.415 445 HD21 ASN 68 HD21 ASN 68 -1.853 2.650 -16.351 446 HD22 ASN 68 HD22 ASN 68 -2.421 1.832 -17.762 447 H GLU 69 HN GLU 69 0.752 -1.205 -14.256 448 HA GLU 69 HA GLU 69 1.392 -1.068 -11.386 449 HB2 GLU 69 HB2 GLU 69 1.988 -3.194 -13.453 450 HB3 GLU 69 HB1 GLU 69 2.634 -3.214 -11.817 451 HG2 GLU 69 HG2 GLU 69 0.391 -3.348 -10.906 452 HG3 GLU 69 HG1 GLU 69 -0.293 -3.258 -12.527 453 H THR 70 HN THR 70 2.185 0.817 -13.529 454 HA THR 70 HA THR 70 5.061 0.814 -12.992 455 HB THR 70 HB THR 70 5.044 1.767 -15.543 456 HG1 THR 70 HG1 THR 70 3.027 1.189 -16.156 457 HG21 THR 70 HG21 THR 70 5.397 -1.121 -14.736 458 HG22 THR 70 HG22 THR 70 6.624 0.140 -14.625 459 HG23 THR 70 HG23 THR 70 6.029 -0.373 -16.203 460 H ASP 71 HN ASP 71 2.642 2.386 -12.122 461 HA ASP 71 HA ASP 71 3.372 5.021 -13.209 462 HB2 ASP 71 HB2 ASP 71 0.832 4.111 -11.840 463 HB3 ASP 71 HB1 ASP 71 1.168 5.775 -12.302 464 H THR 72 HN THR 72 3.794 6.735 -11.849 465 HA THR 72 HA THR 72 4.166 6.089 -8.999 466 HB THR 72 HB THR 72 6.072 7.741 -9.048 467 HG1 THR 72 HG1 THR 72 6.959 8.183 -11.138 468 HG21 THR 72 HG21 THR 72 6.303 5.262 -10.754 469 HG22 THR 72 HG22 THR 72 6.596 5.393 -9.020 470 HG23 THR 72 HG23 THR 72 7.681 6.191 -10.159 471 HA PRO 73 HA PRO 73 1.715 9.612 -7.899 472 HB2 PRO 73 HB2 PRO 73 3.995 10.679 -6.314 473 HB3 PRO 73 HB1 PRO 73 2.343 10.306 -5.802 474 HG2 PRO 73 HG2 PRO 73 4.356 8.719 -5.108 475 HG3 PRO 73 HG1 PRO 73 2.769 8.052 -5.545 476 HD2 PRO 73 HD2 PRO 73 5.284 8.131 -7.145 477 HD3 PRO 73 HD1 PRO 73 4.044 6.866 -7.051 478 H ALA 74 HN ALA 74 5.084 10.318 -8.703 479 HA ALA 74 HA ALA 74 4.636 13.046 -9.390 480 HB1 ALA 74 HB1 ALA 74 6.888 12.982 -10.311 481 HB2 ALA 74 HB2 ALA 74 6.901 11.222 -10.204 482 HB3 ALA 74 HB3 ALA 74 6.843 12.195 -8.733 483 H GLN 75 HN GLN 75 4.820 10.030 -11.235 484 HA GLN 75 HA GLN 75 4.717 11.138 -13.805 485 HB2 GLN 75 HB2 GLN 75 5.320 8.805 -13.376 486 HB3 GLN 75 HB1 GLN 75 3.678 8.470 -12.841 487 HG2 GLN 75 HG2 GLN 75 3.929 7.652 -15.063 488 HG3 GLN 75 HG1 GLN 75 2.872 9.060 -15.107 489 HE21 GLN 75 HE21 GLN 75 3.309 9.351 -17.301 490 HE22 GLN 75 HE22 GLN 75 4.810 10.005 -17.859 491 H LEU 76 HN LEU 76 2.087 10.047 -11.676 492 HA LEU 76 HA LEU 76 0.096 10.832 -13.622 493 HB2 LEU 76 HB2 LEU 76 -0.169 9.779 -10.813 494 HB3 LEU 76 HB1 LEU 76 -1.522 10.115 -11.873 495 HG LEU 76 HG LEU 76 0.624 8.039 -12.334 496 HD11 LEU 76 HD11 LEU 76 -0.961 7.432 -10.591 497 HD12 LEU 76 HD12 LEU 76 -1.202 6.447 -12.031 498 HD13 LEU 76 HD13 LEU 76 -2.304 7.775 -11.678 499 HD21 LEU 76 HD21 LEU 76 -1.760 8.814 -14.007 500 HD22 LEU 76 HD22 LEU 76 -0.810 7.348 -14.240 501 HD23 LEU 76 HD23 LEU 76 -0.059 8.929 -14.459 502 H GLU 77 HN GLU 77 1.947 12.701 -11.813 503 HA GLU 77 HA GLU 77 1.803 14.777 -10.881 504 HB2 GLU 77 HB2 GLU 77 -0.678 14.918 -12.608 505 HB3 GLU 77 HB1 GLU 77 0.107 16.301 -11.857 506 HG2 GLU 77 HG2 GLU 77 1.410 14.478 -13.861 507 HG3 GLU 77 HG1 GLU 77 0.641 16.016 -14.252 508 H MET 78 HN MET 78 0.994 12.955 -9.118 509 HA MET 78 HA MET 78 -1.638 13.585 -8.096 510 HB2 MET 78 HB2 MET 78 0.528 11.851 -6.896 511 HB3 MET 78 HB1 MET 78 -1.150 11.928 -6.373 512 HG2 MET 78 HG2 MET 78 -1.837 11.095 -8.594 513 HG3 MET 78 HG1 MET 78 -0.137 10.920 -9.020 514 HE1 MET 78 HE1 MET 78 -3.063 9.765 -6.790 515 HE2 MET 78 HE2 MET 78 -1.896 10.141 -5.523 516 HE3 MET 78 HE3 MET 78 -2.364 8.471 -5.820 517 H GLU 79 HN GLU 79 -2.115 14.668 -6.245 518 HA GLU 79 HA GLU 79 0.063 16.312 -5.124 519 HB2 GLU 79 HB2 GLU 79 -2.913 16.855 -5.013 520 HB3 GLU 79 HB1 GLU 79 -1.619 17.955 -4.565 521 HG2 GLU 79 HG2 GLU 79 -1.793 16.926 -7.358 522 HG3 GLU 79 HG1 GLU 79 -2.849 18.235 -6.831 523 H ASP 80 HN ASP 80 -0.631 17.029 -2.749 524 HA ASP 80 HA ASP 80 -0.686 14.645 -1.194 525 HB2 ASP 80 HB2 ASP 80 0.257 17.090 -0.658 526 HB3 ASP 80 HB1 ASP 80 -1.330 17.268 0.077 527 H GLU 81 HN GLU 81 -2.313 13.789 0.047 528 HA GLU 81 HA GLU 81 -4.400 13.309 0.796 529 HB2 GLU 81 HB2 GLU 81 -4.944 16.143 -0.048 530 HB3 GLU 81 HB1 GLU 81 -6.204 15.099 0.588 531 HG2 GLU 81 HG2 GLU 81 -4.633 14.774 2.591 532 HG3 GLU 81 HG1 GLU 81 -3.799 16.199 1.971 533 H ASP 82 HN ASP 82 -3.490 13.256 -2.204 534 HA ASP 82 HA ASP 82 -5.909 13.344 -3.693 535 HB2 ASP 82 HB2 ASP 82 -3.148 12.831 -4.258 536 HB3 ASP 82 HB1 ASP 82 -4.121 11.545 -4.968 537 H THR 83 HN THR 83 -7.550 12.118 -3.167 538 HA THR 83 HA THR 83 -7.331 9.575 -1.917 539 HB THR 83 HB THR 83 -9.875 10.359 -3.238 540 HG1 THR 83 HG1 THR 83 -10.193 11.930 -1.502 541 HG21 THR 83 HG21 THR 83 -9.637 8.429 -1.672 542 HG22 THR 83 HG22 THR 83 -10.831 9.620 -1.157 543 HG23 THR 83 HG23 THR 83 -9.243 9.577 -0.392 544 H ILE 84 HN ILE 84 -7.393 7.578 -2.755 545 HA ILE 84 HA ILE 84 -7.686 7.318 -5.677 546 HB ILE 84 HB ILE 84 -6.192 5.501 -3.782 547 HG12 ILE 84 HG12 ILE 84 -5.134 7.457 -5.836 548 HG13 ILE 84 HG11 ILE 84 -5.092 7.693 -4.092 549 HG21 ILE 84 HG21 ILE 84 -7.099 4.289 -5.677 550 HG22 ILE 84 HG22 ILE 84 -5.348 4.427 -5.827 551 HG23 ILE 84 HG23 ILE 84 -6.400 5.464 -6.789 552 HD11 ILE 84 HD11 ILE 84 -3.804 5.394 -4.169 553 HD12 ILE 84 HD12 ILE 84 -2.987 6.930 -4.440 554 HD13 ILE 84 HD13 ILE 84 -3.449 5.926 -5.813 555 H ASP 85 HN ASP 85 -9.344 6.180 -6.414 556 HA ASP 85 HA ASP 85 -11.243 5.024 -4.599 557 HB2 ASP 85 HB2 ASP 85 -11.098 5.451 -7.554 558 HB3 ASP 85 HB1 ASP 85 -12.252 4.281 -6.925 559 H VAL 86 HN VAL 86 -11.586 2.957 -4.096 560 HA VAL 86 HA VAL 86 -9.983 0.909 -5.483 561 HB VAL 86 HB VAL 86 -10.744 0.875 -2.554 562 HG11 VAL 86 HG11 VAL 86 -10.521 -1.346 -3.550 563 HG12 VAL 86 HG12 VAL 86 -9.210 -1.023 -2.416 564 HG13 VAL 86 HG13 VAL 86 -8.919 -0.921 -4.152 565 HG21 VAL 86 HG21 VAL 86 -8.097 1.507 -3.856 566 HG22 VAL 86 HG22 VAL 86 -8.340 1.246 -2.128 567 HG23 VAL 86 HG23 VAL 86 -9.109 2.617 -2.930 568 H PHE 87 HN PHE 87 -11.272 -0.360 -6.621 569 HA PHE 87 HA PHE 87 -13.916 -1.059 -5.512 570 HB2 PHE 87 HB2 PHE 87 -13.102 -0.847 -8.424 571 HB3 PHE 87 HB1 PHE 87 -14.685 -1.353 -7.841 572 HD1 PHE 87 HD1 PHE 87 -16.016 0.321 -6.447 573 HD2 PHE 87 HD2 PHE 87 -12.653 1.398 -8.818 574 HE1 PHE 87 HE1 PHE 87 -16.766 2.663 -6.441 575 HE2 PHE 87 HE2 PHE 87 -13.396 3.745 -8.817 576 HZ PHE 87 HZ PHE 87 -15.455 4.378 -7.624 577 H GLN 88 HN GLN 88 -14.644 -3.189 -6.896 578 HA GLN 88 HA GLN 88 -12.373 -5.047 -6.797 579 HB2 GLN 88 HB2 GLN 88 -15.096 -5.390 -5.565 580 HB3 GLN 88 HB1 GLN 88 -14.074 -6.768 -5.946 581 HG2 GLN 88 HG2 GLN 88 -12.286 -5.575 -4.550 582 HG3 GLN 88 HG1 GLN 88 -13.614 -4.587 -3.947 583 HE21 GLN 88 HE21 GLN 88 -13.465 -5.340 -1.865 584 HE22 GLN 88 HE22 GLN 88 -13.915 -6.948 -1.412 585 H GLN 89 HN GLN 89 -12.692 -7.026 -8.008 586 HA GLN 89 HA GLN 89 -13.900 -6.471 -10.568 587 HB2 GLN 89 HB2 GLN 89 -11.674 -7.586 -10.304 588 HB3 GLN 89 HB1 GLN 89 -12.496 -8.977 -9.616 589 HG2 GLN 89 HG2 GLN 89 -11.911 -9.291 -11.978 590 HG3 GLN 89 HG1 GLN 89 -13.647 -9.385 -11.689 591 HE21 GLN 89 HE21 GLN 89 -14.133 -8.917 -13.827 592 HE22 GLN 89 HE22 GLN 89 -13.952 -7.329 -14.487 593 H GLN 90 HN GLN 90 -15.449 -7.817 -11.592 594 HA GLN 90 HA GLN 90 -17.603 -8.564 -9.912 595 HB2 GLN 90 HB2 GLN 90 -17.084 -8.837 -12.862 596 HB3 GLN 90 HB1 GLN 90 -18.540 -9.483 -12.121 597 HG2 GLN 90 HG2 GLN 90 -19.086 -7.357 -13.006 598 HG3 GLN 90 HG1 GLN 90 -19.020 -7.186 -11.255 599 HE21 GLN 90 HE21 GLN 90 -18.663 -4.978 -11.354 600 HE22 GLN 90 HE22 GLN 90 -17.155 -4.305 -11.873 601 H THR 91 HN THR 91 -18.419 -10.529 -9.375 602 HA THR 91 HA THR 91 -16.550 -12.716 -9.288 603 HB THR 91 HB THR 91 -19.152 -13.452 -8.356 604 HG1 THR 91 HG1 THR 91 -19.383 -11.729 -6.811 605 HG21 THR 91 HG21 THR 91 -17.964 -13.479 -6.163 606 HG22 THR 91 HG22 THR 91 -16.571 -12.743 -6.956 607 HG23 THR 91 HG23 THR 91 -17.112 -14.351 -7.435 608 H GLY 92 HN GLY 92 -19.414 -11.830 -11.071 609 HA2 GLY 92 HA2 GLY 92 -19.584 -12.875 -13.311 610 HA3 GLY 92 HA1 GLY 92 -19.258 -14.407 -12.516 611 H1 ASP 195 HN ASP 195 -13.681 5.017 15.933 612 HA ASP 195 HA ASP 195 -14.559 5.209 13.674 613 HB2 ASP 195 HB2 ASP 195 -13.833 7.768 13.867 614 HB3 ASP 195 HB1 ASP 195 -12.422 7.168 13.000 615 H THR 196 HN THR 196 -12.740 5.261 11.527 616 HA THR 196 HA THR 196 -10.746 3.290 12.448 617 HB THR 196 HB THR 196 -10.958 2.577 9.897 618 HG1 THR 196 HG1 THR 196 -12.797 4.321 9.919 619 HG21 THR 196 HG21 THR 196 -11.296 1.094 11.813 620 HG22 THR 196 HG22 THR 196 -12.519 0.823 10.577 621 HG23 THR 196 HG23 THR 196 -12.923 1.735 12.028 622 H ALA 197 HN ALA 197 -8.729 3.910 12.169 623 HA ALA 197 HA ALA 197 -8.104 5.724 9.942 624 HB1 ALA 197 HB1 ALA 197 -6.544 6.928 11.301 625 HB2 ALA 197 HB2 ALA 197 -6.769 5.813 12.649 626 HB3 ALA 197 HB3 ALA 197 -8.082 6.886 12.164 627 H GLY 198 HN GLY 198 -6.639 4.867 8.592 628 HA2 GLY 198 HA2 GLY 198 -4.835 2.808 9.701 629 HA3 GLY 198 HA1 GLY 198 -5.556 2.690 8.097 630 H CYS 199 HN CYS 199 -2.699 3.170 9.425 631 HA CYS 199 HA CYS 199 -1.976 5.147 7.367 632 HB2 CYS 199 HB2 CYS 199 0.026 5.632 8.874 633 HB3 CYS 199 HB1 CYS 199 -1.531 6.257 9.405 634 HG CYS 199 HG CYS 199 -1.914 4.494 11.437 635 H ILE 200 HN ILE 200 -0.777 4.354 5.832 636 HA ILE 200 HA ILE 200 0.975 2.076 6.460 637 HB ILE 200 HB ILE 200 -0.489 2.423 3.832 638 HG12 ILE 200 HG12 ILE 200 -1.076 0.598 6.178 639 HG13 ILE 200 HG11 ILE 200 -2.087 1.922 5.618 640 HG21 ILE 200 HG21 ILE 200 0.264 0.073 3.497 641 HG22 ILE 200 HG22 ILE 200 1.210 0.209 4.981 642 HG23 ILE 200 HG23 ILE 200 1.588 1.236 3.596 643 HD11 ILE 200 HD11 ILE 200 -2.474 0.714 3.521 644 HD12 ILE 200 HD12 ILE 200 -2.998 -0.200 4.934 645 HD13 ILE 200 HD13 ILE 200 -1.491 -0.619 4.123 646 H VAL 201 HN VAL 201 3.035 2.374 5.938 647 HA VAL 201 HA VAL 201 3.643 4.576 4.077 648 HB VAL 201 HB VAL 201 4.380 5.250 6.269 649 HG11 VAL 201 HG11 VAL 201 4.412 3.134 7.393 650 HG12 VAL 201 HG12 VAL 201 6.003 3.876 7.552 651 HG13 VAL 201 HG13 VAL 201 5.749 2.575 6.389 652 HG21 VAL 201 HG21 VAL 201 6.778 5.528 5.902 653 HG22 VAL 201 HG22 VAL 201 5.893 5.743 4.392 654 HG23 VAL 201 HG23 VAL 201 6.754 4.238 4.702 655 H ILE 202 HN ILE 202 4.768 4.056 2.320 656 HA ILE 202 HA ILE 202 6.223 1.501 2.363 657 HB ILE 202 HB ILE 202 5.731 1.152 0.030 658 HG12 ILE 202 HG12 ILE 202 4.747 3.947 0.162 659 HG13 ILE 202 HG11 ILE 202 5.515 3.085 -1.162 660 HG21 ILE 202 HG21 ILE 202 4.150 0.200 1.533 661 HG22 ILE 202 HG22 ILE 202 3.283 0.825 0.127 662 HG23 ILE 202 HG23 ILE 202 3.261 1.721 1.647 663 HD11 ILE 202 HD11 ILE 202 3.312 3.722 -1.798 664 HD12 ILE 202 HD12 ILE 202 2.627 2.946 -0.368 665 HD13 ILE 202 HD13 ILE 202 3.374 1.966 -1.629 666 H SEP 203 HN SEP 203 8.294 1.716 2.076 667 HA SEP 203 HA SEP 203 9.276 4.058 0.625 668 HB2 SEP 203 HB1 SEP 203 11.250 4.010 2.044 669 HB3 SEP 203 HB2 SEP 203 10.689 2.535 2.830 670 H ASP 204 HN ASP 204 10.462 3.643 -1.148 671 HA ASP 204 HA ASP 204 11.399 0.869 -1.515 672 HB2 ASP 204 HB2 ASP 204 9.505 1.808 -3.045 673 HB3 ASP 204 HB1 ASP 204 10.798 2.727 -3.806 674 H SEP 205 HN SEP 205 13.526 0.628 -1.816 675 HA SEP 205 HA SEP 205 15.103 3.047 -2.383 676 HB2 SEP 205 HB1 SEP 205 15.661 2.335 -0.196 677 HB3 SEP 205 HB2 SEP 205 16.951 1.694 -1.209 678 H GLU 206 HN GLU 206 16.321 3.065 -4.133 679 HA GLU 206 HA GLU 206 16.086 1.126 -6.132 680 HB2 GLU 206 HB2 GLU 206 16.886 3.694 -6.099 681 HB3 GLU 206 HB1 GLU 206 18.456 2.908 -6.189 682 HG2 GLU 206 HG2 GLU 206 17.713 3.441 -8.397 683 HG3 GLU 206 HG1 GLU 206 17.696 1.691 -8.196 Start of MODEL 10 1 H1 ASP 16 HN ASP 16 10.461 14.571 -1.636 2 HA ASP 16 HA ASP 16 10.147 14.874 1.009 3 HB2 ASP 16 HB2 ASP 16 9.179 17.206 0.113 4 HB3 ASP 16 HB1 ASP 16 7.704 16.256 -0.005 5 H HIS 17 HN HIS 17 7.667 14.225 1.677 6 HA HIS 17 HA HIS 17 7.166 11.816 0.079 7 HB2 HIS 17 HB2 HIS 17 6.473 12.580 2.915 8 HB3 HIS 17 HB1 HIS 17 5.774 11.174 2.125 9 HD2 HIS 17 HD2 HIS 17 7.366 8.963 1.991 10 HE1 HIS 17 HE1 HIS 17 10.742 10.727 3.832 11 HE2 HIS 17 HE2 HIS 17 9.717 8.553 3.012 12 H ILE 18 HN ILE 18 4.901 11.155 -0.207 13 HA ILE 18 HA ILE 18 3.117 13.485 -0.417 14 HB ILE 18 HB ILE 18 3.854 12.820 -2.656 15 HG12 ILE 18 HG12 ILE 18 0.976 12.006 -2.203 16 HG13 ILE 18 HG11 ILE 18 1.536 13.673 -2.245 17 HG21 ILE 18 HG21 ILE 18 3.250 10.653 -3.606 18 HG22 ILE 18 HG22 ILE 18 2.628 10.137 -2.039 19 HG23 ILE 18 HG23 ILE 18 4.348 10.472 -2.236 20 HD11 ILE 18 HD11 ILE 18 0.573 13.088 -4.364 21 HD12 ILE 18 HD12 ILE 18 1.642 11.694 -4.503 22 HD13 ILE 18 HD13 ILE 18 2.309 13.324 -4.557 23 H ASN 19 HN ASN 19 1.230 13.312 0.566 24 HA ASN 19 HA ASN 19 0.599 10.792 1.897 25 HB2 ASN 19 HB2 ASN 19 -0.755 13.482 2.173 26 HB3 ASN 19 HB1 ASN 19 -0.963 12.091 3.227 27 HD21 ASN 19 HD21 ASN 19 1.142 14.683 2.274 28 HD22 ASN 19 HD22 ASN 19 2.210 14.587 3.635 29 H LEU 20 HN LEU 20 -0.751 9.412 0.981 30 HA LEU 20 HA LEU 20 -2.791 10.468 -0.870 31 HB2 LEU 20 HB2 LEU 20 -1.497 7.738 -0.865 32 HB3 LEU 20 HB1 LEU 20 -2.701 8.303 -2.011 33 HG LEU 20 HG LEU 20 0.011 9.584 -1.693 34 HD11 LEU 20 HD11 LEU 20 0.670 8.394 -3.709 35 HD12 LEU 20 HD12 LEU 20 -0.873 7.542 -3.721 36 HD13 LEU 20 HD13 LEU 20 0.275 7.266 -2.410 37 HD21 LEU 20 HD21 LEU 20 -0.497 10.580 -3.858 38 HD22 LEU 20 HD22 LEU 20 -1.718 11.015 -2.664 39 HD23 LEU 20 HD23 LEU 20 -2.065 9.775 -3.867 40 H LYS 21 HN LYS 21 -4.900 9.941 -0.519 41 HA LYS 21 HA LYS 21 -5.434 8.353 1.898 42 HB2 LYS 21 HB2 LYS 21 -7.264 10.316 0.511 43 HB3 LYS 21 HB1 LYS 21 -7.527 9.553 2.073 44 HG2 LYS 21 HG2 LYS 21 -5.681 10.764 3.033 45 HG3 LYS 21 HG1 LYS 21 -5.270 11.446 1.457 46 HD2 LYS 21 HD2 LYS 21 -7.400 12.615 1.389 47 HD3 LYS 21 HD1 LYS 21 -7.856 11.902 2.939 48 HE2 LYS 21 HE2 LYS 21 -5.973 13.034 4.014 49 HE3 LYS 21 HE1 LYS 21 -5.499 13.724 2.463 50 HZ1 LYS 21 HZ1 LYS 21 -7.956 14.296 4.017 51 HZ2 LYS 21 HZ2 LYS 21 -7.735 14.803 2.419 52 HZ3 LYS 21 HZ3 LYS 21 -6.700 15.370 3.633 53 H VAL 22 HN VAL 22 -6.046 6.343 1.515 54 HA VAL 22 HA VAL 22 -7.227 5.570 -1.010 55 HB VAL 22 HB VAL 22 -6.752 3.903 1.466 56 HG11 VAL 22 HG11 VAL 22 -7.313 3.070 -1.374 57 HG12 VAL 22 HG12 VAL 22 -8.421 2.934 -0.008 58 HG13 VAL 22 HG13 VAL 22 -6.934 1.985 -0.034 59 HG21 VAL 22 HG21 VAL 22 -4.686 4.871 0.553 60 HG22 VAL 22 HG22 VAL 22 -5.059 4.150 -1.013 61 HG23 VAL 22 HG23 VAL 22 -4.737 3.116 0.381 62 H ALA 23 HN ALA 23 -9.329 5.223 -1.410 63 HA ALA 23 HA ALA 23 -11.240 5.922 0.665 64 HB1 ALA 23 HB1 ALA 23 -12.877 5.954 -1.143 65 HB2 ALA 23 HB2 ALA 23 -11.665 5.336 -2.263 66 HB3 ALA 23 HB3 ALA 23 -11.468 6.934 -1.544 67 H GLY 24 HN GLY 24 -13.200 4.623 0.923 68 HA2 GLY 24 HA2 GLY 24 -13.004 1.803 0.210 69 HA3 GLY 24 HA1 GLY 24 -12.956 2.185 1.929 70 H GLN 25 HN GLN 25 -14.973 0.775 0.186 71 HA GLN 25 HA GLN 25 -17.277 2.398 -0.041 72 HB2 GLN 25 HB2 GLN 25 -17.105 -0.607 0.274 73 HB3 GLN 25 HB1 GLN 25 -18.504 0.290 -0.299 74 HG2 GLN 25 HG2 GLN 25 -15.825 0.195 -1.672 75 HG3 GLN 25 HG1 GLN 25 -17.232 -0.772 -2.120 76 HE21 GLN 25 HE21 GLN 25 -15.734 2.339 -2.233 77 HE22 GLN 25 HE22 GLN 25 -16.882 3.090 -3.286 78 H ASP 26 HN ASP 26 -15.858 0.653 2.607 79 HA ASP 26 HA ASP 26 -18.218 0.799 4.274 80 HB2 ASP 26 HB2 ASP 26 -16.913 -0.297 5.956 81 HB3 ASP 26 HB1 ASP 26 -16.536 -1.062 4.417 82 H GLY 27 HN GLY 27 -15.586 2.823 3.511 83 HA2 GLY 27 HA2 GLY 27 -15.679 5.137 4.144 84 HA3 GLY 27 HA1 GLY 27 -16.418 4.652 5.659 85 H SER 28 HN SER 28 -13.968 2.494 5.145 86 HA SER 28 HA SER 28 -12.379 3.591 7.214 87 HB2 SER 28 HB2 SER 28 -10.749 1.765 6.561 88 HB3 SER 28 HB1 SER 28 -12.378 1.213 6.942 89 HG SER 28 HG SER 28 -12.801 0.936 4.780 90 H VAL 29 HN VAL 29 -10.705 4.966 7.154 91 HA VAL 29 HA VAL 29 -9.785 5.828 4.501 92 HB VAL 29 HB VAL 29 -10.760 7.644 5.760 93 HG11 VAL 29 HG11 VAL 29 -10.400 6.664 8.019 94 HG12 VAL 29 HG12 VAL 29 -9.986 8.374 7.908 95 HG13 VAL 29 HG13 VAL 29 -8.710 7.158 7.916 96 HG21 VAL 29 HG21 VAL 29 -8.892 9.224 5.773 97 HG22 VAL 29 HG22 VAL 29 -8.835 8.174 4.356 98 HG23 VAL 29 HG23 VAL 29 -7.753 7.878 5.716 99 H VAL 30 HN VAL 30 -7.756 5.503 3.895 100 HA VAL 30 HA VAL 30 -5.816 4.656 5.945 101 HB VAL 30 HB VAL 30 -5.842 3.729 3.071 102 HG11 VAL 30 HG11 VAL 30 -4.175 2.108 3.839 103 HG12 VAL 30 HG12 VAL 30 -4.218 2.836 5.445 104 HG13 VAL 30 HG13 VAL 30 -3.633 3.770 4.068 105 HG21 VAL 30 HG21 VAL 30 -6.741 2.268 5.554 106 HG22 VAL 30 HG22 VAL 30 -6.558 1.544 3.955 107 HG23 VAL 30 HG23 VAL 30 -7.767 2.801 4.221 108 H GLN 31 HN GLN 31 -4.241 6.041 6.195 109 HA GLN 31 HA GLN 31 -3.684 8.020 4.129 110 HB2 GLN 31 HB2 GLN 31 -3.996 8.666 6.548 111 HB3 GLN 31 HB1 GLN 31 -2.494 7.823 6.902 112 HG2 GLN 31 HG2 GLN 31 -1.706 9.943 6.676 113 HG3 GLN 31 HG1 GLN 31 -1.552 9.390 5.010 114 HE21 GLN 31 HE21 GLN 31 -1.835 12.086 6.064 115 HE22 GLN 31 HE22 GLN 31 -3.247 12.757 5.323 116 H PHE 32 HN PHE 32 -2.377 7.282 2.608 117 HA PHE 32 HA PHE 32 -0.190 5.463 3.256 118 HB2 PHE 32 HB2 PHE 32 -1.772 6.121 0.910 119 HB3 PHE 32 HB1 PHE 32 -0.049 6.124 0.549 120 HD1 PHE 32 HD1 PHE 32 -2.917 4.105 1.506 121 HD2 PHE 32 HD2 PHE 32 1.262 4.097 0.732 122 HE1 PHE 32 HE1 PHE 32 -2.960 1.651 1.331 123 HE2 PHE 32 HE2 PHE 32 1.231 1.646 0.554 124 HZ PHE 32 HZ PHE 32 -0.882 0.418 0.849 125 H LYS 33 HN LYS 33 1.739 6.236 3.768 126 HA LYS 33 HA LYS 33 2.512 8.886 2.743 127 HB2 LYS 33 HB2 LYS 33 2.507 8.895 5.145 128 HB3 LYS 33 HB1 LYS 33 3.392 7.376 5.211 129 HG2 LYS 33 HG2 LYS 33 5.389 8.388 4.504 130 HG3 LYS 33 HG1 LYS 33 4.560 9.857 3.992 131 HD2 LYS 33 HD2 LYS 33 3.960 10.276 6.366 132 HD3 LYS 33 HD1 LYS 33 4.943 8.883 6.816 133 HE2 LYS 33 HE2 LYS 33 6.905 9.965 5.808 134 HE3 LYS 33 HE1 LYS 33 5.912 11.363 5.402 135 HZ1 LYS 33 HZ1 LYS 33 7.020 11.900 7.380 136 HZ2 LYS 33 HZ2 LYS 33 6.694 10.400 8.087 137 HZ3 LYS 33 HZ3 LYS 33 5.442 11.513 7.861 138 H ILE 34 HN ILE 34 3.512 8.474 0.845 139 HA ILE 34 HA ILE 34 5.818 6.652 0.950 140 HB ILE 34 HB ILE 34 5.222 5.425 -0.852 141 HG12 ILE 34 HG12 ILE 34 3.674 7.778 -1.969 142 HG13 ILE 34 HG11 ILE 34 5.299 7.289 -2.440 143 HG21 ILE 34 HG21 ILE 34 3.345 5.193 0.707 144 HG22 ILE 34 HG22 ILE 34 2.839 4.953 -0.964 145 HG23 ILE 34 HG23 ILE 34 2.484 6.472 -0.146 146 HD11 ILE 34 HD11 ILE 34 2.822 5.627 -2.808 147 HD12 ILE 34 HD12 ILE 34 4.449 5.224 -3.356 148 HD13 ILE 34 HD13 ILE 34 3.595 6.598 -4.060 149 H LYS 35 HN LYS 35 7.430 7.088 -0.744 150 HA LYS 35 HA LYS 35 7.874 9.915 -1.013 151 HB2 LYS 35 HB2 LYS 35 9.405 7.450 -1.801 152 HB3 LYS 35 HB1 LYS 35 9.911 9.035 -2.367 153 HG2 LYS 35 HG2 LYS 35 10.645 9.682 -0.324 154 HG3 LYS 35 HG1 LYS 35 9.415 8.755 0.531 155 HD2 LYS 35 HD2 LYS 35 10.623 6.712 0.180 156 HD3 LYS 35 HD1 LYS 35 11.789 7.525 -0.864 157 HE2 LYS 35 HE2 LYS 35 12.627 8.815 0.976 158 HE3 LYS 35 HE1 LYS 35 11.352 8.218 2.034 159 HZ1 LYS 35 HZ1 LYS 35 13.172 6.296 0.774 160 HZ2 LYS 35 HZ2 LYS 35 12.348 6.185 2.255 161 HZ3 LYS 35 HZ3 LYS 35 13.706 7.182 2.106 162 H ARG 36 HN ARG 36 8.138 11.042 -3.026 163 HA ARG 36 HA ARG 36 6.090 10.441 -4.888 164 HB2 ARG 36 HB2 ARG 36 8.338 12.450 -5.037 165 HB3 ARG 36 HB1 ARG 36 6.992 12.378 -6.167 166 HG2 ARG 36 HG2 ARG 36 5.449 12.707 -4.229 167 HG3 ARG 36 HG1 ARG 36 6.869 12.981 -3.221 168 HD2 ARG 36 HD2 ARG 36 6.009 15.111 -3.893 169 HD3 ARG 36 HD1 ARG 36 7.523 14.825 -4.754 170 HE ARG 36 HE ARG 36 6.329 14.576 -6.752 171 HH11 ARG 36 HH11 ARG 36 4.181 15.205 -4.048 172 HH12 ARG 36 HH12 ARG 36 2.835 15.618 -5.063 173 HH21 ARG 36 HH21 ARG 36 4.549 15.106 -8.075 174 HH22 ARG 36 HH22 ARG 36 3.035 15.551 -7.349 175 H HIS 37 HN HIS 37 9.385 9.498 -4.716 176 HA HIS 37 HA HIS 37 9.466 8.784 -7.546 177 HB2 HIS 37 HB2 HIS 37 11.806 8.109 -7.096 178 HB3 HIS 37 HB1 HIS 37 11.493 9.778 -6.647 179 HD2 HIS 37 HD2 HIS 37 12.442 10.411 -4.231 180 HE1 HIS 37 HE1 HIS 37 12.617 6.497 -2.634 181 HE2 HIS 37 HE2 HIS 37 13.148 8.937 -2.217 182 H THR 38 HN THR 38 8.158 7.471 -4.902 183 HA THR 38 HA THR 38 9.057 4.737 -5.292 184 HB THR 38 HB THR 38 7.062 5.921 -3.354 185 HG1 THR 38 HG1 THR 38 9.693 5.979 -3.381 186 HG21 THR 38 HG21 THR 38 8.111 3.122 -3.684 187 HG22 THR 38 HG22 THR 38 6.436 3.661 -3.582 188 HG23 THR 38 HG23 THR 38 7.468 3.711 -2.152 189 HA PRO 39 HA PRO 39 5.912 3.856 -8.339 190 HB2 PRO 39 HB2 PRO 39 6.416 1.083 -7.405 191 HB3 PRO 39 HB1 PRO 39 6.465 1.742 -9.045 192 HG2 PRO 39 HG2 PRO 39 8.713 1.153 -7.773 193 HG3 PRO 39 HG1 PRO 39 8.595 2.598 -8.799 194 HD2 PRO 39 HD2 PRO 39 8.548 2.385 -5.820 195 HD3 PRO 39 HD1 PRO 39 9.289 3.620 -6.859 196 H LEU 40 HN LEU 40 3.759 3.461 -8.333 197 HA LEU 40 HA LEU 40 2.438 3.274 -5.781 198 HB2 LEU 40 HB2 LEU 40 1.329 3.335 -8.591 199 HB3 LEU 40 HB1 LEU 40 0.368 3.446 -7.130 200 HG LEU 40 HG LEU 40 2.506 5.447 -7.851 201 HD11 LEU 40 HD11 LEU 40 0.821 5.483 -9.584 202 HD12 LEU 40 HD12 LEU 40 0.651 6.906 -8.555 203 HD13 LEU 40 HD13 LEU 40 -0.462 5.548 -8.377 204 HD21 LEU 40 HD21 LEU 40 0.287 5.382 -5.816 205 HD22 LEU 40 HD22 LEU 40 1.176 6.842 -6.242 206 HD23 LEU 40 HD23 LEU 40 2.022 5.475 -5.522 207 H SER 41 HN SER 41 3.711 0.976 -7.783 208 HA SER 41 HA SER 41 1.748 -1.013 -7.909 209 HB2 SER 41 HB2 SER 41 3.994 -2.479 -7.842 210 HB3 SER 41 HB1 SER 41 3.519 -1.542 -9.261 211 HG SER 41 HG SER 41 5.705 -1.165 -8.612 212 H LYS 42 HN LYS 42 4.346 -0.489 -5.526 213 HA LYS 42 HA LYS 42 3.620 -2.637 -3.849 214 HB2 LYS 42 HB2 LYS 42 4.776 -0.624 -2.225 215 HB3 LYS 42 HB1 LYS 42 5.532 -2.077 -2.854 216 HG2 LYS 42 HG2 LYS 42 6.426 -0.950 -4.696 217 HG3 LYS 42 HG1 LYS 42 5.356 0.437 -4.478 218 HD2 LYS 42 HD2 LYS 42 7.724 0.825 -3.780 219 HD3 LYS 42 HD1 LYS 42 6.534 1.123 -2.511 220 HE2 LYS 42 HE2 LYS 42 8.396 -0.070 -1.569 221 HE3 LYS 42 HE1 LYS 42 6.999 -1.142 -1.617 222 HZ1 LYS 42 HZ1 LYS 42 9.188 -1.130 -3.626 223 HZ2 LYS 42 HZ2 LYS 42 7.897 -2.226 -3.541 224 HZ3 LYS 42 HZ3 LYS 42 9.072 -2.215 -2.327 225 H LEU 43 HN LEU 43 2.449 0.627 -4.128 226 HA LEU 43 HA LEU 43 1.143 0.862 -1.636 227 HB2 LEU 43 HB2 LEU 43 1.545 2.776 -3.075 228 HB3 LEU 43 HB1 LEU 43 0.529 2.091 -4.328 229 HG LEU 43 HG LEU 43 -0.799 2.537 -1.725 230 HD11 LEU 43 HD11 LEU 43 0.298 4.778 -3.401 231 HD12 LEU 43 HD12 LEU 43 0.458 4.526 -1.659 232 HD13 LEU 43 HD13 LEU 43 -1.102 4.980 -2.346 233 HD21 LEU 43 HD21 LEU 43 -1.543 3.259 -4.560 234 HD22 LEU 43 HD22 LEU 43 -2.607 3.283 -3.151 235 HD23 LEU 43 HD23 LEU 43 -1.971 1.749 -3.751 236 H MET 44 HN MET 44 0.070 -0.357 -4.769 237 HA MET 44 HA MET 44 -2.588 -0.915 -3.949 238 HB2 MET 44 HB2 MET 44 -0.948 -2.013 -6.240 239 HB3 MET 44 HB1 MET 44 -2.668 -2.304 -6.028 240 HG2 MET 44 HG2 MET 44 -3.050 0.139 -6.146 241 HG3 MET 44 HG1 MET 44 -1.336 0.354 -6.491 242 HE1 MET 44 HE1 MET 44 -0.929 -1.290 -9.985 243 HE2 MET 44 HE2 MET 44 -0.555 -1.943 -8.390 244 HE3 MET 44 HE3 MET 44 -0.180 -0.260 -8.763 245 H LYS 45 HN LYS 45 0.391 -2.782 -4.034 246 HA LYS 45 HA LYS 45 -0.798 -5.272 -3.350 247 HB2 LYS 45 HB2 LYS 45 2.066 -4.349 -3.056 248 HB3 LYS 45 HB1 LYS 45 1.516 -6.012 -2.893 249 HG2 LYS 45 HG2 LYS 45 0.605 -5.719 -5.286 250 HG3 LYS 45 HG1 LYS 45 1.667 -4.310 -5.354 251 HD2 LYS 45 HD2 LYS 45 2.559 -7.108 -4.665 252 HD3 LYS 45 HD1 LYS 45 2.703 -6.371 -6.260 253 HE2 LYS 45 HE2 LYS 45 4.150 -4.641 -5.346 254 HE3 LYS 45 HE1 LYS 45 3.977 -5.328 -3.732 255 HZ1 LYS 45 HZ1 LYS 45 6.049 -6.010 -4.776 256 HZ2 LYS 45 HZ2 LYS 45 5.202 -6.702 -6.064 257 HZ3 LYS 45 HZ3 LYS 45 5.047 -7.346 -4.509 258 H ALA 46 HN ALA 46 0.936 -2.821 -1.442 259 HA ALA 46 HA ALA 46 0.949 -4.131 1.007 260 HB1 ALA 46 HB1 ALA 46 2.209 -2.075 0.522 261 HB2 ALA 46 HB2 ALA 46 1.280 -1.956 2.018 262 HB3 ALA 46 HB3 ALA 46 0.698 -1.164 0.555 263 H TYR 47 HN TYR 47 -1.510 -1.893 -0.286 264 HA TYR 47 HA TYR 47 -3.199 -2.047 1.976 265 HB2 TYR 47 HB2 TYR 47 -3.433 -0.222 0.407 266 HB3 TYR 47 HB1 TYR 47 -3.813 -1.337 -0.901 267 HD1 TYR 47 HD1 TYR 47 -6.029 -1.713 -1.427 268 HD2 TYR 47 HD2 TYR 47 -5.061 -0.322 2.472 269 HE1 TYR 47 HE1 TYR 47 -8.423 -1.530 -0.908 270 HE2 TYR 47 HE2 TYR 47 -7.455 -0.135 3.006 271 HH TYR 47 HH TYR 47 -9.637 0.188 1.622 272 H CYS 48 HN CYS 48 -3.007 -3.905 -1.004 273 HA CYS 48 HA CYS 48 -5.364 -5.403 -0.663 274 HB2 CYS 48 HB2 CYS 48 -3.873 -5.141 -2.744 275 HB3 CYS 48 HB1 CYS 48 -2.888 -6.421 -2.043 276 HG CYS 48 HG CYS 48 -4.683 -8.412 -2.271 277 H GLU 49 HN GLU 49 -2.006 -6.000 0.285 278 HA GLU 49 HA GLU 49 -2.441 -8.564 1.391 279 HB2 GLU 49 HB2 GLU 49 -0.281 -6.506 1.830 280 HB3 GLU 49 HB1 GLU 49 -0.252 -8.098 2.577 281 HG2 GLU 49 HG2 GLU 49 -0.544 -7.827 -0.383 282 HG3 GLU 49 HG1 GLU 49 1.040 -7.699 0.379 283 H ARG 50 HN ARG 50 -2.883 -5.335 2.611 284 HA ARG 50 HA ARG 50 -2.985 -5.983 5.366 285 HB2 ARG 50 HB2 ARG 50 -4.010 -3.686 3.728 286 HB3 ARG 50 HB1 ARG 50 -4.427 -3.822 5.429 287 HG2 ARG 50 HG2 ARG 50 -1.598 -3.797 4.406 288 HG3 ARG 50 HG1 ARG 50 -2.471 -2.355 4.926 289 HD2 ARG 50 HD2 ARG 50 -2.881 -3.663 7.112 290 HD3 ARG 50 HD1 ARG 50 -1.571 -4.702 6.554 291 HE ARG 50 HE ARG 50 -0.060 -2.954 6.859 292 HH11 ARG 50 HH11 ARG 50 -2.855 -0.500 8.393 293 HH12 ARG 50 HH12 ARG 50 -3.339 -1.957 7.585 294 HH21 ARG 50 HH21 ARG 50 0.580 -1.011 7.909 295 HH22 ARG 50 HH22 ARG 50 -0.632 0.036 8.577 296 H GLN 51 HN GLN 51 -5.362 -5.892 2.791 297 HA GLN 51 HA GLN 51 -7.563 -6.543 4.539 298 HB2 GLN 51 HB2 GLN 51 -7.439 -6.607 1.516 299 HB3 GLN 51 HB1 GLN 51 -8.895 -6.647 2.498 300 HG2 GLN 51 HG2 GLN 51 -6.956 -4.354 2.282 301 HG3 GLN 51 HG1 GLN 51 -8.554 -4.447 1.544 302 HE21 GLN 51 HE21 GLN 51 -10.381 -4.258 2.854 303 HE22 GLN 51 HE22 GLN 51 -10.297 -3.600 4.449 304 H GLY 52 HN GLY 52 -5.238 -8.210 2.606 305 HA2 GLY 52 HA2 GLY 52 -4.669 -10.464 2.750 306 HA3 GLY 52 HA1 GLY 52 -6.140 -10.755 3.667 307 H LEU 53 HN LEU 53 -6.117 -9.059 0.616 308 HA LEU 53 HA LEU 53 -7.542 -11.347 -0.576 309 HB2 LEU 53 HB2 LEU 53 -7.839 -8.414 -1.240 310 HB3 LEU 53 HB1 LEU 53 -8.740 -9.731 -1.965 311 HG LEU 53 HG LEU 53 -8.903 -8.888 0.934 312 HD11 LEU 53 HD11 LEU 53 -9.925 -7.240 -0.486 313 HD12 LEU 53 HD12 LEU 53 -11.191 -8.184 0.301 314 HD13 LEU 53 HD13 LEU 53 -10.783 -8.492 -1.387 315 HD21 LEU 53 HD21 LEU 53 -9.285 -11.261 0.702 316 HD22 LEU 53 HD22 LEU 53 -10.412 -10.985 -0.626 317 HD23 LEU 53 HD23 LEU 53 -10.818 -10.445 1.004 318 H SER 54 HN SER 54 -7.452 -11.254 -3.055 319 HA SER 54 HA SER 54 -4.657 -11.141 -3.820 320 HB2 SER 54 HB2 SER 54 -6.098 -13.065 -4.458 321 HB3 SER 54 HB1 SER 54 -7.084 -11.980 -5.433 322 HG SER 54 HG SER 54 -4.364 -12.701 -5.817 323 H MET 55 HN MET 55 -3.797 -9.787 -5.391 324 HA MET 55 HA MET 55 -4.948 -7.226 -5.641 325 HB2 MET 55 HB2 MET 55 -2.503 -7.723 -5.759 326 HB3 MET 55 HB1 MET 55 -2.761 -8.421 -7.352 327 HG2 MET 55 HG2 MET 55 -3.415 -6.316 -8.252 328 HG3 MET 55 HG1 MET 55 -3.467 -5.587 -6.651 329 HE1 MET 55 HE1 MET 55 -0.709 -8.028 -8.089 330 HE2 MET 55 HE2 MET 55 0.425 -6.867 -8.775 331 HE3 MET 55 HE3 MET 55 -1.182 -7.046 -9.477 332 H ARG 56 HN ARG 56 -5.406 -10.108 -7.437 333 HA ARG 56 HA ARG 56 -6.426 -8.729 -9.782 334 HB2 ARG 56 HB2 ARG 56 -5.124 -10.921 -9.858 335 HB3 ARG 56 HB1 ARG 56 -6.574 -11.691 -9.226 336 HG2 ARG 56 HG2 ARG 56 -7.822 -10.807 -11.192 337 HG3 ARG 56 HG1 ARG 56 -6.285 -10.228 -11.838 338 HD2 ARG 56 HD2 ARG 56 -5.426 -12.474 -11.935 339 HD3 ARG 56 HD1 ARG 56 -6.862 -13.099 -11.137 340 HE ARG 56 HE ARG 56 -8.113 -12.638 -13.116 341 HH11 ARG 56 HH11 ARG 56 -4.664 -12.194 -13.477 342 HH12 ARG 56 HH12 ARG 56 -4.701 -12.322 -15.205 343 HH21 ARG 56 HH21 ARG 56 -8.158 -12.877 -15.389 344 HH22 ARG 56 HH22 ARG 56 -6.689 -12.706 -16.297 345 H GLN 57 HN GLN 57 -7.590 -9.410 -6.777 346 HA GLN 57 HA GLN 57 -10.293 -10.105 -7.601 347 HB2 GLN 57 HB2 GLN 57 -9.155 -11.070 -5.552 348 HB3 GLN 57 HB1 GLN 57 -9.324 -9.484 -4.813 349 HG2 GLN 57 HG2 GLN 57 -11.760 -9.644 -5.081 350 HG3 GLN 57 HG1 GLN 57 -11.561 -11.260 -5.756 351 HE21 GLN 57 HE21 GLN 57 -13.022 -10.461 -3.387 352 HE22 GLN 57 HE22 GLN 57 -12.313 -11.321 -2.065 353 H ILE 58 HN ILE 58 -8.436 -7.325 -6.788 354 HA ILE 58 HA ILE 58 -10.898 -5.707 -6.798 355 HB ILE 58 HB ILE 58 -9.517 -4.016 -5.462 356 HG12 ILE 58 HG12 ILE 58 -7.900 -6.517 -4.925 357 HG13 ILE 58 HG11 ILE 58 -7.327 -5.077 -5.753 358 HG21 ILE 58 HG21 ILE 58 -10.407 -6.607 -4.208 359 HG22 ILE 58 HG22 ILE 58 -11.390 -5.172 -4.500 360 HG23 ILE 58 HG23 ILE 58 -10.083 -5.117 -3.319 361 HD11 ILE 58 HD11 ILE 58 -8.172 -5.241 -2.871 362 HD12 ILE 58 HD12 ILE 58 -7.613 -3.786 -3.695 363 HD13 ILE 58 HD13 ILE 58 -6.515 -5.153 -3.472 364 H ARG 59 HN ARG 59 -10.519 -3.433 -7.483 365 HA ARG 59 HA ARG 59 -8.338 -3.187 -9.444 366 HB2 ARG 59 HB2 ARG 59 -11.251 -2.489 -9.878 367 HB3 ARG 59 HB1 ARG 59 -9.949 -1.973 -10.941 368 HG2 ARG 59 HG2 ARG 59 -10.766 -4.817 -10.382 369 HG3 ARG 59 HG1 ARG 59 -11.100 -3.898 -11.851 370 HD2 ARG 59 HD2 ARG 59 -8.670 -3.703 -12.244 371 HD3 ARG 59 HD1 ARG 59 -8.378 -4.685 -10.808 372 HE ARG 59 HE ARG 59 -9.274 -5.595 -13.402 373 HH11 ARG 59 HH11 ARG 59 -8.967 -6.347 -9.997 374 HH12 ARG 59 HH12 ARG 59 -9.085 -8.064 -10.236 375 HH21 ARG 59 HH21 ARG 59 -9.425 -7.854 -13.718 376 HH22 ARG 59 HH22 ARG 59 -9.333 -8.924 -12.355 377 H PHE 60 HN PHE 60 -7.369 -1.204 -9.500 378 HA PHE 60 HA PHE 60 -8.341 0.732 -7.516 379 HB2 PHE 60 HB2 PHE 60 -5.568 0.433 -8.683 380 HB3 PHE 60 HB1 PHE 60 -6.042 1.557 -7.417 381 HD1 PHE 60 HD1 PHE 60 -5.583 -2.012 -8.231 382 HD2 PHE 60 HD2 PHE 60 -6.185 0.873 -5.163 383 HE1 PHE 60 HE1 PHE 60 -5.072 -3.716 -6.536 384 HE2 PHE 60 HE2 PHE 60 -5.673 -0.830 -3.460 385 HZ PHE 60 HZ PHE 60 -5.118 -3.128 -4.148 386 H ARG 61 HN ARG 61 -8.958 2.709 -8.117 387 HA ARG 61 HA ARG 61 -8.388 3.555 -10.884 388 HB2 ARG 61 HB2 ARG 61 -10.966 3.898 -9.336 389 HB3 ARG 61 HB1 ARG 61 -10.628 4.652 -10.888 390 HG2 ARG 61 HG2 ARG 61 -10.367 2.387 -11.871 391 HG3 ARG 61 HG1 ARG 61 -10.869 1.701 -10.323 392 HD2 ARG 61 HD2 ARG 61 -12.988 2.978 -10.506 393 HD3 ARG 61 HD1 ARG 61 -12.484 3.524 -12.105 394 HE ARG 61 HE ARG 61 -12.367 0.717 -12.022 395 HH11 ARG 61 HH11 ARG 61 -15.959 2.359 -12.764 396 HH12 ARG 61 HH12 ARG 61 -14.717 3.312 -12.016 397 HH21 ARG 61 HH21 ARG 61 -14.024 -0.548 -12.968 398 HH22 ARG 61 HH22 ARG 61 -15.566 0.173 -13.306 399 H PHE 62 HN PHE 62 -7.901 5.674 -11.206 400 HA PHE 62 HA PHE 62 -7.998 7.530 -8.952 401 HB2 PHE 62 HB2 PHE 62 -5.712 6.419 -9.052 402 HB3 PHE 62 HB1 PHE 62 -5.501 7.192 -10.619 403 HD1 PHE 62 HD1 PHE 62 -5.908 7.795 -7.010 404 HD2 PHE 62 HD2 PHE 62 -4.955 9.491 -10.796 405 HE1 PHE 62 HE1 PHE 62 -5.083 9.821 -5.889 406 HE2 PHE 62 HE2 PHE 62 -4.126 11.520 -9.680 407 HZ PHE 62 HZ PHE 62 -4.194 11.689 -7.224 408 H ASP 63 HN ASP 63 -8.736 9.444 -9.589 409 HA ASP 63 HA ASP 63 -9.478 11.149 -10.884 410 HB2 ASP 63 HB2 ASP 63 -6.951 11.091 -11.504 411 HB3 ASP 63 HB1 ASP 63 -7.509 10.405 -13.027 412 H GLY 64 HN GLY 64 -10.573 8.469 -11.136 413 HA2 GLY 64 HA2 GLY 64 -12.400 7.641 -12.290 414 HA3 GLY 64 HA1 GLY 64 -12.214 8.944 -13.452 415 H GLN 65 HN GLN 65 -9.269 7.407 -13.110 416 HA GLN 65 HA GLN 65 -9.875 5.590 -15.350 417 HB2 GLN 65 HB2 GLN 65 -7.528 7.454 -14.989 418 HB3 GLN 65 HB1 GLN 65 -7.499 6.111 -16.124 419 HG2 GLN 65 HG2 GLN 65 -9.502 8.357 -16.161 420 HG3 GLN 65 HG1 GLN 65 -8.069 8.253 -17.185 421 HE21 GLN 65 HE21 GLN 65 -10.959 8.302 -17.834 422 HE22 GLN 65 HE22 GLN 65 -11.239 6.889 -18.789 423 HA PRO 66 HA PRO 66 -8.002 2.393 -12.940 424 HB2 PRO 66 HB2 PRO 66 -6.928 1.182 -15.391 425 HB3 PRO 66 HB1 PRO 66 -8.182 0.577 -14.298 426 HG2 PRO 66 HG2 PRO 66 -8.759 1.441 -16.772 427 HG3 PRO 66 HG1 PRO 66 -9.879 1.637 -15.412 428 HD2 PRO 66 HD2 PRO 66 -8.055 3.650 -16.656 429 HD3 PRO 66 HD1 PRO 66 -9.725 3.836 -16.079 430 H ILE 67 HN ILE 67 -6.119 2.247 -11.877 431 HA ILE 67 HA ILE 67 -3.817 3.699 -12.850 432 HB ILE 67 HB ILE 67 -3.889 1.989 -10.375 433 HG12 ILE 67 HG12 ILE 67 -4.745 4.884 -10.578 434 HG13 ILE 67 HG11 ILE 67 -5.859 3.529 -10.423 435 HG21 ILE 67 HG21 ILE 67 -2.242 3.622 -9.565 436 HG22 ILE 67 HG22 ILE 67 -2.341 4.471 -11.109 437 HG23 ILE 67 HG23 ILE 67 -1.710 2.826 -11.048 438 HD11 ILE 67 HD11 ILE 67 -4.688 2.963 -8.271 439 HD12 ILE 67 HD12 ILE 67 -5.615 4.461 -8.276 440 HD13 ILE 67 HD13 ILE 67 -3.859 4.512 -8.414 441 H ASN 68 HN ASN 68 -2.045 2.857 -13.792 442 HA ASN 68 HA ASN 68 -2.037 0.054 -14.477 443 HB2 ASN 68 HB2 ASN 68 -0.180 2.347 -15.124 444 HB3 ASN 68 HB1 ASN 68 0.165 0.690 -15.610 445 HD21 ASN 68 HD21 ASN 68 -0.408 3.139 -17.163 446 HD22 ASN 68 HD22 ASN 68 -1.721 2.715 -18.204 447 H GLU 69 HN GLU 69 0.130 -1.158 -14.256 448 HA GLU 69 HA GLU 69 0.893 -0.985 -11.439 449 HB2 GLU 69 HB2 GLU 69 1.032 -3.154 -13.508 450 HB3 GLU 69 HB1 GLU 69 1.990 -3.260 -12.037 451 HG2 GLU 69 HG2 GLU 69 0.103 -3.383 -10.672 452 HG3 GLU 69 HG1 GLU 69 -0.960 -2.775 -11.939 453 H THR 70 HN THR 70 1.938 0.810 -13.565 454 HA THR 70 HA THR 70 4.758 0.517 -12.882 455 HB THR 70 HB THR 70 5.046 1.262 -15.473 456 HG1 THR 70 HG1 THR 70 3.253 0.795 -16.491 457 HG21 THR 70 HG21 THR 70 4.967 -1.557 -14.395 458 HG22 THR 70 HG22 THR 70 6.353 -0.467 -14.405 459 HG23 THR 70 HG23 THR 70 5.704 -1.083 -15.925 460 H ASP 71 HN ASP 71 3.033 2.366 -11.810 461 HA ASP 71 HA ASP 71 3.917 4.846 -13.122 462 HB2 ASP 71 HB2 ASP 71 1.165 4.144 -12.154 463 HB3 ASP 71 HB1 ASP 71 1.699 5.822 -12.160 464 H THR 72 HN THR 72 4.112 6.672 -11.760 465 HA THR 72 HA THR 72 4.390 6.078 -8.891 466 HB THR 72 HB THR 72 6.298 7.737 -8.898 467 HG1 THR 72 HG1 THR 72 7.248 8.197 -10.924 468 HG21 THR 72 HG21 THR 72 6.519 5.142 -10.399 469 HG22 THR 72 HG22 THR 72 6.971 5.498 -8.731 470 HG23 THR 72 HG23 THR 72 7.928 6.145 -10.060 471 HA PRO 73 HA PRO 73 1.905 9.661 -8.092 472 HB2 PRO 73 HB2 PRO 73 4.050 10.826 -6.406 473 HB3 PRO 73 HB1 PRO 73 2.381 10.417 -5.984 474 HG2 PRO 73 HG2 PRO 73 4.402 8.927 -5.113 475 HG3 PRO 73 HG1 PRO 73 2.858 8.199 -5.599 476 HD2 PRO 73 HD2 PRO 73 5.449 8.290 -7.075 477 HD3 PRO 73 HD1 PRO 73 4.251 6.984 -6.976 478 H ALA 74 HN ALA 74 5.291 10.245 -8.838 479 HA ALA 74 HA ALA 74 4.889 12.967 -9.667 480 HB1 ALA 74 HB1 ALA 74 7.216 12.902 -10.341 481 HB2 ALA 74 HB2 ALA 74 7.246 11.148 -10.149 482 HB3 ALA 74 HB3 ALA 74 7.030 12.185 -8.738 483 H GLN 75 HN GLN 75 4.925 9.826 -11.190 484 HA GLN 75 HA GLN 75 5.189 10.735 -13.872 485 HB2 GLN 75 HB2 GLN 75 5.726 8.440 -13.220 486 HB3 GLN 75 HB1 GLN 75 4.048 8.157 -12.784 487 HG2 GLN 75 HG2 GLN 75 4.533 7.158 -14.920 488 HG3 GLN 75 HG1 GLN 75 3.396 8.489 -15.118 489 HE21 GLN 75 HE21 GLN 75 3.920 8.747 -17.282 490 HE22 GLN 75 HE22 GLN 75 5.417 9.444 -17.795 491 H LEU 76 HN LEU 76 2.422 10.049 -11.790 492 HA LEU 76 HA LEU 76 0.596 10.704 -13.971 493 HB2 LEU 76 HB2 LEU 76 0.153 9.650 -11.184 494 HB3 LEU 76 HB1 LEU 76 -1.165 10.125 -12.241 495 HG LEU 76 HG LEU 76 0.844 7.949 -12.837 496 HD11 LEU 76 HD11 LEU 76 -0.632 7.336 -11.006 497 HD12 LEU 76 HD12 LEU 76 -1.033 6.421 -12.461 498 HD13 LEU 76 HD13 LEU 76 -2.041 7.782 -11.969 499 HD21 LEU 76 HD21 LEU 76 -1.618 8.881 -14.307 500 HD22 LEU 76 HD22 LEU 76 -0.759 7.380 -14.651 501 HD23 LEU 76 HD23 LEU 76 0.047 8.929 -14.885 502 H GLU 77 HN GLU 77 2.363 12.535 -12.057 503 HA GLU 77 HA GLU 77 2.229 14.609 -11.120 504 HB2 GLU 77 HB2 GLU 77 0.204 14.690 -13.329 505 HB3 GLU 77 HB1 GLU 77 0.376 16.075 -12.258 506 HG2 GLU 77 HG2 GLU 77 2.588 14.851 -13.890 507 HG3 GLU 77 HG1 GLU 77 1.688 16.307 -14.311 508 H MET 78 HN MET 78 1.186 12.863 -9.456 509 HA MET 78 HA MET 78 -1.513 13.572 -8.704 510 HB2 MET 78 HB2 MET 78 0.499 11.722 -7.419 511 HB3 MET 78 HB1 MET 78 -1.159 11.931 -6.872 512 HG2 MET 78 HG2 MET 78 -2.043 10.923 -8.772 513 HG3 MET 78 HG1 MET 78 -0.545 11.105 -9.680 514 HE1 MET 78 HE1 MET 78 -2.450 9.148 -6.903 515 HE2 MET 78 HE2 MET 78 -1.079 9.773 -5.987 516 HE3 MET 78 HE3 MET 78 -1.218 8.042 -6.293 517 H GLU 79 HN GLU 79 -2.128 14.789 -7.020 518 HA GLU 79 HA GLU 79 -0.064 16.419 -5.773 519 HB2 GLU 79 HB2 GLU 79 -3.058 16.693 -5.955 520 HB3 GLU 79 HB1 GLU 79 -2.063 17.748 -4.959 521 HG2 GLU 79 HG2 GLU 79 -1.945 17.422 -7.944 522 HG3 GLU 79 HG1 GLU 79 -2.487 18.836 -7.039 523 H ASP 80 HN ASP 80 -0.474 17.045 -3.462 524 HA ASP 80 HA ASP 80 -0.455 14.654 -1.891 525 HB2 ASP 80 HB2 ASP 80 1.002 16.690 -1.540 526 HB3 ASP 80 HB1 ASP 80 -0.423 17.506 -0.909 527 H GLU 81 HN GLU 81 -1.907 13.944 -0.415 528 HA GLU 81 HA GLU 81 -3.825 13.643 0.726 529 HB2 GLU 81 HB2 GLU 81 -4.123 16.590 0.219 530 HB3 GLU 81 HB1 GLU 81 -5.362 15.661 1.052 531 HG2 GLU 81 HG2 GLU 81 -3.504 14.912 2.625 532 HG3 GLU 81 HG1 GLU 81 -2.549 16.214 1.914 533 H ASP 82 HN ASP 82 -3.671 13.181 -2.161 534 HA ASP 82 HA ASP 82 -6.311 13.819 -3.153 535 HB2 ASP 82 HB2 ASP 82 -3.990 13.356 -4.458 536 HB3 ASP 82 HB1 ASP 82 -4.714 11.751 -4.552 537 H THR 83 HN THR 83 -7.426 11.713 -4.267 538 HA THR 83 HA THR 83 -7.625 9.739 -2.086 539 HB THR 83 HB THR 83 -9.969 10.626 -3.765 540 HG1 THR 83 HG1 THR 83 -10.094 12.338 -2.541 541 HG21 THR 83 HG21 THR 83 -10.189 8.446 -2.667 542 HG22 THR 83 HG22 THR 83 -11.277 9.632 -1.948 543 HG23 THR 83 HG23 THR 83 -9.786 9.183 -1.115 544 H ILE 84 HN ILE 84 -7.456 7.681 -2.621 545 HA ILE 84 HA ILE 84 -7.435 6.938 -5.471 546 HB ILE 84 HB ILE 84 -6.367 5.320 -3.153 547 HG12 ILE 84 HG12 ILE 84 -4.697 6.973 -5.045 548 HG13 ILE 84 HG11 ILE 84 -5.265 7.607 -3.503 549 HG21 ILE 84 HG21 ILE 84 -6.834 4.000 -5.119 550 HG22 ILE 84 HG22 ILE 84 -5.089 4.164 -4.926 551 HG23 ILE 84 HG23 ILE 84 -5.937 5.130 -6.132 552 HD11 ILE 84 HD11 ILE 84 -4.050 5.903 -2.312 553 HD12 ILE 84 HD12 ILE 84 -2.964 6.751 -3.413 554 HD13 ILE 84 HD13 ILE 84 -3.564 5.147 -3.828 555 H ASP 85 HN ASP 85 -8.971 5.557 -6.247 556 HA ASP 85 HA ASP 85 -10.965 4.593 -4.322 557 HB2 ASP 85 HB2 ASP 85 -11.041 5.291 -7.220 558 HB3 ASP 85 HB1 ASP 85 -12.185 4.096 -6.616 559 H VAL 86 HN VAL 86 -11.513 2.502 -4.081 560 HA VAL 86 HA VAL 86 -10.099 0.504 -5.725 561 HB VAL 86 HB VAL 86 -10.594 0.164 -2.765 562 HG11 VAL 86 HG11 VAL 86 -10.404 -1.898 -4.057 563 HG12 VAL 86 HG12 VAL 86 -9.015 -1.693 -2.986 564 HG13 VAL 86 HG13 VAL 86 -8.859 -1.353 -4.709 565 HG21 VAL 86 HG21 VAL 86 -8.200 0.569 -2.424 566 HG22 VAL 86 HG22 VAL 86 -9.020 1.996 -3.058 567 HG23 VAL 86 HG23 VAL 86 -8.032 1.000 -4.126 568 H PHE 87 HN PHE 87 -11.471 -0.899 -6.644 569 HA PHE 87 HA PHE 87 -14.076 -1.347 -5.344 570 HB2 PHE 87 HB2 PHE 87 -13.528 -1.035 -8.302 571 HB3 PHE 87 HB1 PHE 87 -15.068 -1.551 -7.623 572 HD1 PHE 87 HD1 PHE 87 -16.171 0.062 -5.929 573 HD2 PHE 87 HD2 PHE 87 -13.127 1.212 -8.670 574 HE1 PHE 87 HE1 PHE 87 -16.866 2.413 -5.704 575 HE2 PHE 87 HE2 PHE 87 -13.813 3.563 -8.449 576 HZ PHE 87 HZ PHE 87 -15.683 4.167 -6.965 577 H GLN 88 HN GLN 88 -15.128 -3.403 -6.069 578 HA GLN 88 HA GLN 88 -13.137 -5.528 -6.075 579 HB2 GLN 88 HB2 GLN 88 -16.110 -5.474 -5.590 580 HB3 GLN 88 HB1 GLN 88 -15.218 -6.980 -5.753 581 HG2 GLN 88 HG2 GLN 88 -14.270 -4.956 -3.795 582 HG3 GLN 88 HG1 GLN 88 -15.692 -5.922 -3.410 583 HE21 GLN 88 HE21 GLN 88 -13.018 -5.862 -2.203 584 HE22 GLN 88 HE22 GLN 88 -12.437 -7.490 -2.284 585 H GLN 89 HN GLN 89 -13.111 -7.223 -7.552 586 HA GLN 89 HA GLN 89 -13.891 -6.492 -10.236 587 HB2 GLN 89 HB2 GLN 89 -11.774 -7.462 -10.193 588 HB3 GLN 89 HB1 GLN 89 -12.227 -8.645 -8.978 589 HG2 GLN 89 HG2 GLN 89 -11.854 -9.789 -11.034 590 HG3 GLN 89 HG1 GLN 89 -13.584 -9.811 -10.701 591 HE21 GLN 89 HE21 GLN 89 -14.158 -10.127 -12.825 592 HE22 GLN 89 HE22 GLN 89 -13.989 -8.897 -14.032 593 H GLN 90 HN GLN 90 -15.431 -7.460 -11.483 594 HA GLN 90 HA GLN 90 -17.702 -8.564 -10.345 595 HB2 GLN 90 HB2 GLN 90 -16.622 -8.662 -13.158 596 HB3 GLN 90 HB1 GLN 90 -18.158 -9.402 -12.732 597 HG2 GLN 90 HG2 GLN 90 -18.697 -7.295 -13.594 598 HG3 GLN 90 HG1 GLN 90 -18.853 -7.136 -11.847 599 HE21 GLN 90 HE21 GLN 90 -18.602 -4.923 -11.934 600 HE22 GLN 90 HE22 GLN 90 -17.076 -4.166 -12.247 601 H THR 91 HN THR 91 -17.982 -10.445 -9.374 602 HA THR 91 HA THR 91 -16.160 -12.657 -9.990 603 HB THR 91 HB THR 91 -18.003 -13.077 -7.767 604 HG1 THR 91 HG1 THR 91 -16.426 -10.716 -7.888 605 HG21 THR 91 HG21 THR 91 -15.947 -13.623 -6.594 606 HG22 THR 91 HG22 THR 91 -14.988 -12.922 -7.897 607 HG23 THR 91 HG23 THR 91 -15.942 -14.376 -8.190 608 H GLY 92 HN GLY 92 -18.328 -12.018 -11.795 609 HA2 GLY 92 HA2 GLY 92 -19.258 -14.304 -12.734 610 HA3 GLY 92 HA1 GLY 92 -20.308 -14.115 -11.337 611 H1 ASP 195 HN ASP 195 -14.181 6.041 14.669 612 HA ASP 195 HA ASP 195 -15.196 4.906 12.451 613 HB2 ASP 195 HB2 ASP 195 -13.830 7.465 11.738 614 HB3 ASP 195 HB1 ASP 195 -13.681 6.098 10.643 615 H THR 196 HN THR 196 -13.081 4.440 10.740 616 HA THR 196 HA THR 196 -11.007 3.442 12.570 617 HB THR 196 HB THR 196 -11.496 2.157 9.925 618 HG1 THR 196 HG1 THR 196 -13.343 1.327 10.511 619 HG21 THR 196 HG21 THR 196 -10.724 0.176 11.098 620 HG22 THR 196 HG22 THR 196 -10.708 1.064 12.623 621 HG23 THR 196 HG23 THR 196 -9.589 1.506 11.333 622 H ALA 197 HN ALA 197 -8.987 4.101 12.184 623 HA ALA 197 HA ALA 197 -8.405 5.328 9.565 624 HB1 ALA 197 HB1 ALA 197 -6.873 6.864 10.704 625 HB2 ALA 197 HB2 ALA 197 -7.314 6.159 12.260 626 HB3 ALA 197 HB3 ALA 197 -8.518 7.034 11.314 627 H GLY 198 HN GLY 198 -6.806 4.450 8.493 628 HA2 GLY 198 HA2 GLY 198 -4.884 2.724 9.920 629 HA3 GLY 198 HA1 GLY 198 -5.569 2.308 8.349 630 H CYS 199 HN CYS 199 -2.737 3.102 9.503 631 HA CYS 199 HA CYS 199 -2.155 4.988 7.315 632 HB2 CYS 199 HB2 CYS 199 -0.682 4.684 9.937 633 HB3 CYS 199 HB1 CYS 199 -0.262 5.808 8.649 634 HG CYS 199 HG CYS 199 -1.456 7.224 10.752 635 H ILE 200 HN ILE 200 -0.854 4.269 5.759 636 HA ILE 200 HA ILE 200 0.886 1.977 6.351 637 HB ILE 200 HB ILE 200 -0.520 2.413 3.712 638 HG12 ILE 200 HG12 ILE 200 -1.162 0.534 6.000 639 HG13 ILE 200 HG11 ILE 200 -2.182 1.824 5.371 640 HG21 ILE 200 HG21 ILE 200 0.271 0.136 3.230 641 HG22 ILE 200 HG22 ILE 200 1.131 0.122 4.770 642 HG23 ILE 200 HG23 ILE 200 1.598 1.264 3.508 643 HD11 ILE 200 HD11 ILE 200 -2.436 0.606 3.276 644 HD12 ILE 200 HD12 ILE 200 -2.966 -0.357 4.656 645 HD13 ILE 200 HD13 ILE 200 -1.404 -0.681 3.900 646 H VAL 201 HN VAL 201 2.974 2.269 5.845 647 HA VAL 201 HA VAL 201 3.644 4.500 4.047 648 HB VAL 201 HB VAL 201 4.343 5.231 6.189 649 HG11 VAL 201 HG11 VAL 201 4.103 3.061 7.326 650 HG12 VAL 201 HG12 VAL 201 5.587 3.905 7.767 651 HG13 VAL 201 HG13 VAL 201 5.648 2.553 6.635 652 HG21 VAL 201 HG21 VAL 201 6.057 5.612 4.547 653 HG22 VAL 201 HG22 VAL 201 6.704 3.990 4.787 654 HG23 VAL 201 HG23 VAL 201 6.823 5.186 6.075 655 H ILE 202 HN ILE 202 4.858 3.978 2.310 656 HA ILE 202 HA ILE 202 6.303 1.416 2.382 657 HB ILE 202 HB ILE 202 5.780 0.900 0.143 658 HG12 ILE 202 HG12 ILE 202 4.599 3.671 -0.102 659 HG13 ILE 202 HG11 ILE 202 6.061 3.080 -0.881 660 HG21 ILE 202 HG21 ILE 202 3.966 0.385 1.654 661 HG22 ILE 202 HG22 ILE 202 3.322 0.846 0.075 662 HG23 ILE 202 HG23 ILE 202 3.276 1.991 1.419 663 HD11 ILE 202 HD11 ILE 202 4.541 2.988 -2.582 664 HD12 ILE 202 HD12 ILE 202 3.215 2.506 -1.521 665 HD13 ILE 202 HD13 ILE 202 4.469 1.342 -1.951 666 H SEP 203 HN SEP 203 8.433 1.526 1.906 667 HA SEP 203 HA SEP 203 9.389 4.012 0.643 668 HB2 SEP 203 HB1 SEP 203 11.503 3.676 1.921 669 HB3 SEP 203 HB2 SEP 203 10.749 2.323 2.755 670 H ASP 204 HN ASP 204 10.378 3.750 -1.233 671 HA ASP 204 HA ASP 204 11.659 1.163 -1.802 672 HB2 ASP 204 HB2 ASP 204 9.459 1.733 -3.065 673 HB3 ASP 204 HB1 ASP 204 10.462 2.854 -3.978 674 H SEP 205 HN SEP 205 13.745 1.298 -2.365 675 HA SEP 205 HA SEP 205 14.734 3.941 -3.192 676 HB2 SEP 205 HB1 SEP 205 15.785 3.645 -1.149 677 HB3 SEP 205 HB2 SEP 205 16.972 2.914 -2.229 678 H GLU 206 HN GLU 206 15.616 4.046 -5.143 679 HA GLU 206 HA GLU 206 15.796 1.701 -6.788 680 HB2 GLU 206 HB2 GLU 206 15.076 3.993 -7.566 681 HB3 GLU 206 HB1 GLU 206 16.757 4.490 -7.430 682 HG2 GLU 206 HG2 GLU 206 16.335 3.984 -9.700 683 HG3 GLU 206 HG1 GLU 206 17.345 2.694 -9.050 Start of MODEL 11 1 H1 ASP 16 HN ASP 16 10.435 13.535 -1.494 2 HA ASP 16 HA ASP 16 10.294 13.901 1.344 3 HB2 ASP 16 HB2 ASP 16 9.012 15.884 -0.516 4 HB3 ASP 16 HB1 ASP 16 8.302 15.538 1.058 5 H HIS 17 HN HIS 17 8.129 13.374 2.179 6 HA HIS 17 HA HIS 17 6.986 11.221 0.596 7 HB2 HIS 17 HB2 HIS 17 6.655 12.066 3.474 8 HB3 HIS 17 HB1 HIS 17 5.680 10.797 2.743 9 HD2 HIS 17 HD2 HIS 17 7.003 8.395 2.240 10 HE1 HIS 17 HE1 HIS 17 10.492 9.513 4.354 11 HE2 HIS 17 HE2 HIS 17 9.239 7.576 3.301 12 H ILE 18 HN ILE 18 4.858 11.060 0.021 13 HA ILE 18 HA ILE 18 3.298 13.554 0.176 14 HB ILE 18 HB ILE 18 4.030 12.726 -2.120 15 HG12 ILE 18 HG12 ILE 18 1.038 12.881 -1.756 16 HG13 ILE 18 HG11 ILE 18 2.108 14.280 -1.686 17 HG21 ILE 18 HG21 ILE 18 2.685 10.923 -3.129 18 HG22 ILE 18 HG22 ILE 18 2.014 10.569 -1.536 19 HG23 ILE 18 HG23 ILE 18 3.741 10.359 -1.833 20 HD11 ILE 18 HD11 ILE 18 2.809 13.879 -3.972 21 HD12 ILE 18 HD12 ILE 18 1.057 14.042 -3.870 22 HD13 ILE 18 HD13 ILE 18 1.784 12.445 -4.045 23 H ASN 19 HN ASN 19 1.206 13.443 0.945 24 HA ASN 19 HA ASN 19 0.517 10.908 2.262 25 HB2 ASN 19 HB2 ASN 19 -0.586 13.685 2.744 26 HB3 ASN 19 HB1 ASN 19 -0.971 12.244 3.682 27 HD21 ASN 19 HD21 ASN 19 1.409 14.654 2.959 28 HD22 ASN 19 HD22 ASN 19 2.456 14.309 4.298 29 H LEU 20 HN LEU 20 -0.640 9.684 0.934 30 HA LEU 20 HA LEU 20 -2.782 10.916 -0.642 31 HB2 LEU 20 HB2 LEU 20 -1.677 8.110 -0.775 32 HB3 LEU 20 HB1 LEU 20 -2.821 8.828 -1.892 33 HG LEU 20 HG LEU 20 0.025 9.762 -1.513 34 HD11 LEU 20 HD11 LEU 20 0.431 8.754 -3.707 35 HD12 LEU 20 HD12 LEU 20 -1.204 8.093 -3.702 36 HD13 LEU 20 HD13 LEU 20 -0.030 7.552 -2.502 37 HD21 LEU 20 HD21 LEU 20 -2.086 10.524 -3.527 38 HD22 LEU 20 HD22 LEU 20 -0.400 11.035 -3.579 39 HD23 LEU 20 HD23 LEU 20 -1.439 11.550 -2.249 40 H LYS 21 HN LYS 21 -4.888 9.949 -0.666 41 HA LYS 21 HA LYS 21 -5.546 8.630 1.887 42 HB2 LYS 21 HB2 LYS 21 -7.364 10.286 0.137 43 HB3 LYS 21 HB1 LYS 21 -7.756 9.614 1.712 44 HG2 LYS 21 HG2 LYS 21 -6.147 11.083 2.770 45 HG3 LYS 21 HG1 LYS 21 -5.669 11.724 1.193 46 HD2 LYS 21 HD2 LYS 21 -7.963 12.525 0.838 47 HD3 LYS 21 HD1 LYS 21 -8.419 11.906 2.423 48 HE2 LYS 21 HE2 LYS 21 -6.839 13.440 3.477 49 HE3 LYS 21 HE1 LYS 21 -6.355 14.042 1.892 50 HZ1 LYS 21 HZ1 LYS 21 -8.858 14.486 3.365 51 HZ2 LYS 21 HZ2 LYS 21 -8.892 14.511 1.676 52 HZ3 LYS 21 HZ3 LYS 21 -7.897 15.597 2.513 53 H VAL 22 HN VAL 22 -6.315 6.626 1.786 54 HA VAL 22 HA VAL 22 -7.327 5.642 -0.793 55 HB VAL 22 HB VAL 22 -6.188 4.110 1.553 56 HG11 VAL 22 HG11 VAL 22 -7.947 2.832 0.440 57 HG12 VAL 22 HG12 VAL 22 -6.360 2.126 0.136 58 HG13 VAL 22 HG13 VAL 22 -7.155 3.083 -1.116 59 HG21 VAL 22 HG21 VAL 22 -4.510 5.326 0.268 60 HG22 VAL 22 HG22 VAL 22 -5.096 4.577 -1.216 61 HG23 VAL 22 HG23 VAL 22 -4.348 3.585 0.035 62 H ALA 23 HN ALA 23 -9.466 5.555 -0.905 63 HA ALA 23 HA ALA 23 -11.022 5.372 1.566 64 HB1 ALA 23 HB1 ALA 23 -11.873 6.119 -1.225 65 HB2 ALA 23 HB2 ALA 23 -11.552 7.232 0.104 66 HB3 ALA 23 HB3 ALA 23 -12.914 6.116 0.197 67 H GLY 24 HN GLY 24 -12.380 3.740 2.025 68 HA2 GLY 24 HA2 GLY 24 -12.373 1.455 0.163 69 HA3 GLY 24 HA1 GLY 24 -12.572 1.334 1.906 70 H GLN 25 HN GLN 25 -14.332 0.101 0.169 71 HA GLN 25 HA GLN 25 -16.638 1.685 -0.373 72 HB2 GLN 25 HB2 GLN 25 -16.421 -1.322 -0.126 73 HB3 GLN 25 HB1 GLN 25 -17.722 -0.433 -0.906 74 HG2 GLN 25 HG2 GLN 25 -14.865 -0.278 -1.817 75 HG3 GLN 25 HG1 GLN 25 -16.006 -1.476 -2.425 76 HE21 GLN 25 HE21 GLN 25 -14.586 0.750 -3.760 77 HE22 GLN 25 HE22 GLN 25 -15.829 1.698 -4.507 78 H ASP 26 HN ASP 26 -15.388 0.586 2.496 79 HA ASP 26 HA ASP 26 -18.004 0.268 3.792 80 HB2 ASP 26 HB2 ASP 26 -16.756 -0.647 5.689 81 HB3 ASP 26 HB1 ASP 26 -16.318 -1.489 4.205 82 H GLY 27 HN GLY 27 -15.794 2.662 3.151 83 HA2 GLY 27 HA2 GLY 27 -16.077 4.896 3.866 84 HA3 GLY 27 HA1 GLY 27 -16.902 4.309 5.299 85 H SER 28 HN SER 28 -14.015 2.650 4.602 86 HA SER 28 HA SER 28 -12.722 3.834 6.913 87 HB2 SER 28 HB2 SER 28 -10.949 2.096 6.404 88 HB3 SER 28 HB1 SER 28 -12.555 1.447 6.743 89 HG SER 28 HG SER 28 -12.801 0.884 4.669 90 H VAL 29 HN VAL 29 -10.624 4.817 6.834 91 HA VAL 29 HA VAL 29 -9.808 5.721 4.163 92 HB VAL 29 HB VAL 29 -10.976 7.596 5.094 93 HG11 VAL 29 HG11 VAL 29 -9.230 7.319 7.537 94 HG12 VAL 29 HG12 VAL 29 -10.951 6.953 7.441 95 HG13 VAL 29 HG13 VAL 29 -10.392 8.612 7.239 96 HG21 VAL 29 HG21 VAL 29 -9.214 9.287 5.168 97 HG22 VAL 29 HG22 VAL 29 -8.915 8.110 3.889 98 HG23 VAL 29 HG23 VAL 29 -8.005 8.024 5.398 99 H VAL 30 HN VAL 30 -7.810 5.141 3.751 100 HA VAL 30 HA VAL 30 -5.951 4.816 6.011 101 HB VAL 30 HB VAL 30 -5.946 3.363 3.357 102 HG11 VAL 30 HG11 VAL 30 -4.060 2.084 4.274 103 HG12 VAL 30 HG12 VAL 30 -4.053 3.129 5.695 104 HG13 VAL 30 HG13 VAL 30 -3.664 3.795 4.108 105 HG21 VAL 30 HG21 VAL 30 -6.395 2.330 6.155 106 HG22 VAL 30 HG22 VAL 30 -6.423 1.379 4.672 107 HG23 VAL 30 HG23 VAL 30 -7.660 2.603 4.959 108 H GLN 31 HN GLN 31 -4.364 6.178 6.110 109 HA GLN 31 HA GLN 31 -3.790 7.988 3.921 110 HB2 GLN 31 HB2 GLN 31 -3.987 8.736 6.312 111 HB3 GLN 31 HB1 GLN 31 -2.531 7.818 6.668 112 HG2 GLN 31 HG2 GLN 31 -1.289 9.228 5.075 113 HG3 GLN 31 HG1 GLN 31 -2.751 10.180 4.816 114 HE21 GLN 31 HE21 GLN 31 -0.177 11.041 5.860 115 HE22 GLN 31 HE22 GLN 31 -0.487 11.681 7.436 116 H PHE 32 HN PHE 32 -2.328 7.507 2.447 117 HA PHE 32 HA PHE 32 -0.305 5.481 3.065 118 HB2 PHE 32 HB2 PHE 32 -1.819 6.214 0.678 119 HB3 PHE 32 HB1 PHE 32 -0.100 6.004 0.365 120 HD1 PHE 32 HD1 PHE 32 -2.943 4.309 2.072 121 HD2 PHE 32 HD2 PHE 32 0.704 3.890 -0.069 122 HE1 PHE 32 HE1 PHE 32 -3.256 1.870 2.027 123 HE2 PHE 32 HE2 PHE 32 0.401 1.450 -0.120 124 HZ PHE 32 HZ PHE 32 -1.584 0.436 0.928 125 H LYS 33 HN LYS 33 1.538 6.244 3.751 126 HA LYS 33 HA LYS 33 2.539 8.826 2.823 127 HB2 LYS 33 HB2 LYS 33 2.620 8.306 5.243 128 HB3 LYS 33 HB1 LYS 33 3.626 6.905 4.902 129 HG2 LYS 33 HG2 LYS 33 5.401 8.342 4.094 130 HG3 LYS 33 HG1 LYS 33 4.385 9.765 4.342 131 HD2 LYS 33 HD2 LYS 33 4.372 9.408 6.715 132 HD3 LYS 33 HD1 LYS 33 5.198 7.859 6.535 133 HE2 LYS 33 HE2 LYS 33 7.165 9.026 5.642 134 HE3 LYS 33 HE1 LYS 33 6.335 10.569 5.840 135 HZ1 LYS 33 HZ1 LYS 33 7.874 10.089 7.662 136 HZ2 LYS 33 HZ2 LYS 33 6.998 8.699 8.049 137 HZ3 LYS 33 HZ3 LYS 33 6.281 10.219 8.212 138 H ILE 34 HN ILE 34 3.380 8.593 0.833 139 HA ILE 34 HA ILE 34 5.463 6.551 0.463 140 HB ILE 34 HB ILE 34 3.507 5.646 -0.601 141 HG12 ILE 34 HG12 ILE 34 5.391 6.870 -2.620 142 HG13 ILE 34 HG11 ILE 34 5.505 5.274 -1.883 143 HG21 ILE 34 HG21 ILE 34 2.204 7.693 -0.746 144 HG22 ILE 34 HG22 ILE 34 2.227 6.849 -2.292 145 HG23 ILE 34 HG23 ILE 34 3.235 8.275 -2.049 146 HD11 ILE 34 HD11 ILE 34 3.518 6.238 -3.915 147 HD12 ILE 34 HD12 ILE 34 3.314 4.736 -3.014 148 HD13 ILE 34 HD13 ILE 34 4.709 4.948 -4.073 149 H LYS 35 HN LYS 35 7.102 7.124 -1.077 150 HA LYS 35 HA LYS 35 7.544 9.964 -1.278 151 HB2 LYS 35 HB2 LYS 35 9.149 7.566 -2.184 152 HB3 LYS 35 HB1 LYS 35 9.664 9.227 -2.454 153 HG2 LYS 35 HG2 LYS 35 10.131 9.592 -0.249 154 HG3 LYS 35 HG1 LYS 35 8.946 8.419 0.314 155 HD2 LYS 35 HD2 LYS 35 10.429 6.605 -0.499 156 HD3 LYS 35 HD1 LYS 35 11.630 7.827 -0.922 157 HE2 LYS 35 HE2 LYS 35 11.878 8.481 1.357 158 HE3 LYS 35 HE1 LYS 35 10.500 7.502 1.850 159 HZ1 LYS 35 HZ1 LYS 35 12.271 6.188 2.454 160 HZ2 LYS 35 HZ2 LYS 35 13.216 6.643 1.124 161 HZ3 LYS 35 HZ3 LYS 35 11.928 5.577 0.915 162 H ARG 36 HN ARG 36 7.757 11.136 -3.251 163 HA ARG 36 HA ARG 36 5.765 10.450 -5.152 164 HB2 ARG 36 HB2 ARG 36 7.833 12.640 -5.138 165 HB3 ARG 36 HB1 ARG 36 6.584 12.491 -6.368 166 HG2 ARG 36 HG2 ARG 36 4.857 12.783 -4.730 167 HG3 ARG 36 HG1 ARG 36 6.033 12.744 -3.419 168 HD2 ARG 36 HD2 ARG 36 5.545 15.014 -3.713 169 HD3 ARG 36 HD1 ARG 36 7.086 14.780 -4.529 170 HE ARG 36 HE ARG 36 5.887 14.811 -6.636 171 HH11 ARG 36 HH11 ARG 36 4.148 16.019 -3.831 172 HH12 ARG 36 HH12 ARG 36 3.040 16.973 -4.776 173 HH21 ARG 36 HH21 ARG 36 4.430 16.080 -7.858 174 HH22 ARG 36 HH22 ARG 36 3.198 17.009 -7.052 175 H HIS 37 HN HIS 37 8.904 9.345 -4.896 176 HA HIS 37 HA HIS 37 9.077 8.855 -7.792 177 HB2 HIS 37 HB2 HIS 37 11.457 8.292 -7.381 178 HB3 HIS 37 HB1 HIS 37 11.058 9.940 -6.930 179 HD2 HIS 37 HD2 HIS 37 12.029 10.630 -4.538 180 HE1 HIS 37 HE1 HIS 37 12.379 6.735 -2.924 181 HE2 HIS 37 HE2 HIS 37 12.787 9.207 -2.509 182 H THR 38 HN THR 38 7.948 7.406 -5.111 183 HA THR 38 HA THR 38 8.984 4.743 -5.580 184 HB THR 38 HB THR 38 6.923 5.782 -3.632 185 HG1 THR 38 HG1 THR 38 9.580 5.881 -3.652 186 HG21 THR 38 HG21 THR 38 8.269 3.094 -3.529 187 HG22 THR 38 HG22 THR 38 6.706 3.332 -4.303 188 HG23 THR 38 HG23 THR 38 6.901 3.671 -2.584 189 HA PRO 39 HA PRO 39 5.918 3.696 -8.661 190 HB2 PRO 39 HB2 PRO 39 6.426 0.952 -7.630 191 HB3 PRO 39 HB1 PRO 39 6.510 1.568 -9.286 192 HG2 PRO 39 HG2 PRO 39 8.729 1.037 -7.934 193 HG3 PRO 39 HG1 PRO 39 8.624 2.442 -9.012 194 HD2 PRO 39 HD2 PRO 39 8.526 2.344 -6.034 195 HD3 PRO 39 HD1 PRO 39 9.253 3.555 -7.108 196 H LEU 40 HN LEU 40 3.766 3.485 -8.617 197 HA LEU 40 HA LEU 40 2.406 3.254 -6.117 198 HB2 LEU 40 HB2 LEU 40 1.398 3.376 -8.952 199 HB3 LEU 40 HB1 LEU 40 0.342 3.307 -7.556 200 HG LEU 40 HG LEU 40 2.378 5.495 -7.943 201 HD11 LEU 40 HD11 LEU 40 0.873 5.544 -9.840 202 HD12 LEU 40 HD12 LEU 40 0.501 6.875 -8.742 203 HD13 LEU 40 HD13 LEU 40 -0.519 5.436 -8.764 204 HD21 LEU 40 HD21 LEU 40 -0.068 5.215 -6.204 205 HD22 LEU 40 HD22 LEU 40 0.882 6.690 -6.374 206 HD23 LEU 40 HD23 LEU 40 1.612 5.248 -5.666 207 H SER 41 HN SER 41 3.732 0.970 -8.094 208 HA SER 41 HA SER 41 1.852 -1.082 -8.194 209 HB2 SER 41 HB2 SER 41 4.651 -1.896 -7.704 210 HB3 SER 41 HB1 SER 41 3.574 -2.306 -9.041 211 HG SER 41 HG SER 41 4.231 -0.595 -10.137 212 H LYS 42 HN LYS 42 3.963 0.021 -5.626 213 HA LYS 42 HA LYS 42 3.497 -2.193 -3.874 214 HB2 LYS 42 HB2 LYS 42 4.381 0.602 -3.141 215 HB3 LYS 42 HB1 LYS 42 4.591 -0.850 -2.177 216 HG2 LYS 42 HG2 LYS 42 6.166 -1.730 -3.788 217 HG3 LYS 42 HG1 LYS 42 5.899 -0.338 -4.840 218 HD2 LYS 42 HD2 LYS 42 7.733 0.464 -3.781 219 HD3 LYS 42 HD1 LYS 42 6.555 0.934 -2.547 220 HE2 LYS 42 HE2 LYS 42 8.289 -0.154 -1.379 221 HE3 LYS 42 HE1 LYS 42 6.991 -1.343 -1.493 222 HZ1 LYS 42 HZ1 LYS 42 9.381 -1.222 -3.263 223 HZ2 LYS 42 HZ2 LYS 42 8.144 -2.375 -3.349 224 HZ3 LYS 42 HZ3 LYS 42 9.149 -2.318 -1.991 225 H LEU 43 HN LEU 43 2.042 0.929 -4.450 226 HA LEU 43 HA LEU 43 0.357 1.029 -2.169 227 HB2 LEU 43 HB2 LEU 43 1.005 2.989 -3.547 228 HB3 LEU 43 HB1 LEU 43 0.036 2.360 -4.866 229 HG LEU 43 HG LEU 43 -1.449 2.704 -2.356 230 HD11 LEU 43 HD11 LEU 43 0.059 4.616 -2.177 231 HD12 LEU 43 HD12 LEU 43 -1.588 5.132 -2.539 232 HD13 LEU 43 HD13 LEU 43 -0.371 5.111 -3.815 233 HD21 LEU 43 HD21 LEU 43 -1.900 3.647 -5.187 234 HD22 LEU 43 HD22 LEU 43 -3.083 3.686 -3.880 235 HD23 LEU 43 HD23 LEU 43 -2.503 2.138 -4.495 236 H MET 44 HN MET 44 0.216 -0.703 -5.128 237 HA MET 44 HA MET 44 -2.643 -1.223 -4.796 238 HB2 MET 44 HB2 MET 44 -0.738 -1.927 -7.033 239 HB3 MET 44 HB1 MET 44 -2.429 -2.405 -6.994 240 HG2 MET 44 HG2 MET 44 -2.825 0.164 -6.678 241 HG3 MET 44 HG1 MET 44 -1.225 0.281 -7.406 242 HE1 MET 44 HE1 MET 44 -1.799 -1.524 -10.849 243 HE2 MET 44 HE2 MET 44 -1.263 -2.263 -9.342 244 HE3 MET 44 HE3 MET 44 -0.633 -0.689 -9.825 245 H LYS 45 HN LYS 45 -0.147 -2.340 -3.267 246 HA LYS 45 HA LYS 45 -1.185 -5.081 -3.219 247 HB2 LYS 45 HB2 LYS 45 1.646 -4.234 -3.630 248 HB3 LYS 45 HB1 LYS 45 1.323 -5.718 -2.740 249 HG2 LYS 45 HG2 LYS 45 -0.024 -6.513 -4.672 250 HG3 LYS 45 HG1 LYS 45 0.483 -5.076 -5.562 251 HD2 LYS 45 HD2 LYS 45 2.497 -6.925 -4.331 252 HD3 LYS 45 HD1 LYS 45 1.787 -7.272 -5.907 253 HE2 LYS 45 HE2 LYS 45 2.565 -5.110 -6.736 254 HE3 LYS 45 HE1 LYS 45 3.261 -4.751 -5.157 255 HZ1 LYS 45 HZ1 LYS 45 4.181 -7.254 -6.118 256 HZ2 LYS 45 HZ2 LYS 45 5.073 -5.885 -5.679 257 HZ3 LYS 45 HZ3 LYS 45 4.485 -6.042 -7.255 258 H ALA 46 HN ALA 46 0.608 -2.556 -1.513 259 HA ALA 46 HA ALA 46 0.994 -3.815 0.932 260 HB1 ALA 46 HB1 ALA 46 1.316 -1.655 1.869 261 HB2 ALA 46 HB2 ALA 46 0.355 -0.894 0.602 262 HB3 ALA 46 HB3 ALA 46 1.919 -1.604 0.211 263 H TYR 47 HN TYR 47 -1.787 -1.813 -0.062 264 HA TYR 47 HA TYR 47 -3.186 -2.159 2.393 265 HB2 TYR 47 HB2 TYR 47 -3.634 -0.247 0.952 266 HB3 TYR 47 HB1 TYR 47 -4.166 -1.305 -0.342 267 HD1 TYR 47 HD1 TYR 47 -6.417 -1.271 -0.703 268 HD2 TYR 47 HD2 TYR 47 -4.998 -0.861 3.285 269 HE1 TYR 47 HE1 TYR 47 -8.735 -1.096 0.096 270 HE2 TYR 47 HE2 TYR 47 -7.312 -0.686 4.097 271 HH TYR 47 HH TYR 47 -10.002 -1.455 2.150 272 H CYS 48 HN CYS 48 -3.088 -3.877 -0.650 273 HA CYS 48 HA CYS 48 -5.362 -5.499 -0.311 274 HB2 CYS 48 HB2 CYS 48 -2.805 -6.229 -1.751 275 HB3 CYS 48 HB1 CYS 48 -4.403 -6.907 -2.032 276 HG CYS 48 HG CYS 48 -3.204 -4.841 -3.924 277 H GLU 49 HN GLU 49 -1.972 -5.966 0.597 278 HA GLU 49 HA GLU 49 -2.181 -8.581 1.588 279 HB2 GLU 49 HB2 GLU 49 -0.308 -6.323 2.276 280 HB3 GLU 49 HB1 GLU 49 -0.134 -7.939 2.939 281 HG2 GLU 49 HG2 GLU 49 -0.158 -7.339 -0.001 282 HG3 GLU 49 HG1 GLU 49 1.310 -7.429 0.970 283 H ARG 50 HN ARG 50 -2.568 -5.451 3.208 284 HA ARG 50 HA ARG 50 -2.948 -6.540 5.796 285 HB2 ARG 50 HB2 ARG 50 -3.703 -3.857 4.636 286 HB3 ARG 50 HB1 ARG 50 -3.895 -4.275 6.335 287 HG2 ARG 50 HG2 ARG 50 -1.350 -4.914 6.111 288 HG3 ARG 50 HG1 ARG 50 -1.423 -3.772 4.770 289 HD2 ARG 50 HD2 ARG 50 -2.285 -2.053 6.262 290 HD3 ARG 50 HD1 ARG 50 -2.262 -3.193 7.609 291 HE ARG 50 HE ARG 50 0.300 -3.168 6.611 292 HH11 ARG 50 HH11 ARG 50 -0.612 0.157 8.678 293 HH12 ARG 50 HH12 ARG 50 -1.887 -0.816 8.019 294 HH21 ARG 50 HH21 ARG 50 1.971 -1.884 7.443 295 HH22 ARG 50 HH22 ARG 50 1.593 -0.451 8.346 296 H GLN 51 HN GLN 51 -5.115 -5.906 3.128 297 HA GLN 51 HA GLN 51 -7.497 -6.300 4.700 298 HB2 GLN 51 HB2 GLN 51 -7.019 -6.133 1.723 299 HB3 GLN 51 HB1 GLN 51 -8.609 -6.393 2.427 300 HG2 GLN 51 HG2 GLN 51 -6.838 -4.000 2.855 301 HG3 GLN 51 HG1 GLN 51 -8.301 -4.064 1.875 302 HE21 GLN 51 HE21 GLN 51 -10.297 -4.102 2.878 303 HE22 GLN 51 HE22 GLN 51 -10.503 -3.737 4.557 304 H GLY 52 HN GLY 52 -5.291 -8.252 2.893 305 HA2 GLY 52 HA2 GLY 52 -5.065 -10.578 3.106 306 HA3 GLY 52 HA1 GLY 52 -6.687 -10.651 3.784 307 H LEU 53 HN LEU 53 -6.061 -8.863 0.882 308 HA LEU 53 HA LEU 53 -7.344 -11.000 -0.682 309 HB2 LEU 53 HB2 LEU 53 -7.813 -8.027 -0.940 310 HB3 LEU 53 HB1 LEU 53 -8.501 -9.258 -1.979 311 HG LEU 53 HG LEU 53 -9.063 -8.981 0.973 312 HD11 LEU 53 HD11 LEU 53 -9.997 -7.121 -0.302 313 HD12 LEU 53 HD12 LEU 53 -11.268 -8.198 0.275 314 HD13 LEU 53 HD13 LEU 53 -10.762 -8.258 -1.414 315 HD21 LEU 53 HD21 LEU 53 -9.252 -11.275 0.207 316 HD22 LEU 53 HD22 LEU 53 -10.273 -10.766 -1.138 317 HD23 LEU 53 HD23 LEU 53 -10.852 -10.603 0.520 318 H SER 54 HN SER 54 -6.806 -11.056 -2.907 319 HA SER 54 HA SER 54 -4.086 -10.223 -3.423 320 HB2 SER 54 HB2 SER 54 -4.732 -12.485 -4.052 321 HB3 SER 54 HB1 SER 54 -6.053 -11.868 -5.043 322 HG SER 54 HG SER 54 -3.735 -12.433 -5.916 323 H MET 55 HN MET 55 -3.460 -8.950 -5.211 324 HA MET 55 HA MET 55 -5.038 -6.675 -5.705 325 HB2 MET 55 HB2 MET 55 -2.529 -6.824 -5.870 326 HB3 MET 55 HB1 MET 55 -2.741 -7.664 -7.399 327 HG2 MET 55 HG2 MET 55 -4.050 -5.628 -8.170 328 HG3 MET 55 HG1 MET 55 -3.421 -4.820 -6.735 329 HE1 MET 55 HE1 MET 55 -1.763 -7.405 -9.280 330 HE2 MET 55 HE2 MET 55 -0.948 -6.258 -10.344 331 HE3 MET 55 HE3 MET 55 -2.709 -6.263 -10.235 332 H ARG 56 HN ARG 56 -5.048 -9.767 -7.119 333 HA ARG 56 HA ARG 56 -6.078 -9.037 -9.693 334 HB2 ARG 56 HB2 ARG 56 -4.809 -11.110 -9.317 335 HB3 ARG 56 HB1 ARG 56 -6.075 -11.695 -8.249 336 HG2 ARG 56 HG2 ARG 56 -6.481 -12.793 -10.250 337 HG3 ARG 56 HG1 ARG 56 -7.630 -11.455 -10.271 338 HD2 ARG 56 HD2 ARG 56 -6.360 -10.242 -11.828 339 HD3 ARG 56 HD1 ARG 56 -4.927 -11.229 -11.546 340 HE ARG 56 HE ARG 56 -7.345 -12.159 -12.957 341 HH11 ARG 56 HH11 ARG 56 -3.876 -12.230 -12.443 342 HH12 ARG 56 HH12 ARG 56 -3.587 -13.359 -13.729 343 HH21 ARG 56 HH21 ARG 56 -6.958 -13.626 -14.650 344 HH22 ARG 56 HH22 ARG 56 -5.336 -14.153 -14.985 345 H GLN 57 HN GLN 57 -7.439 -9.513 -6.564 346 HA GLN 57 HA GLN 57 -10.096 -10.097 -7.570 347 HB2 GLN 57 HB2 GLN 57 -9.229 -11.161 -5.506 348 HB3 GLN 57 HB1 GLN 57 -9.199 -9.583 -4.735 349 HG2 GLN 57 HG2 GLN 57 -11.574 -9.404 -4.842 350 HG3 GLN 57 HG1 GLN 57 -11.688 -10.847 -5.848 351 HE21 GLN 57 HE21 GLN 57 -12.909 -10.241 -3.239 352 HE22 GLN 57 HE22 GLN 57 -12.398 -11.511 -2.181 353 H ILE 58 HN ILE 58 -8.352 -7.346 -6.244 354 HA ILE 58 HA ILE 58 -10.822 -5.767 -6.471 355 HB ILE 58 HB ILE 58 -9.521 -4.037 -5.115 356 HG12 ILE 58 HG12 ILE 58 -7.814 -6.472 -4.553 357 HG13 ILE 58 HG11 ILE 58 -7.286 -5.022 -5.399 358 HG21 ILE 58 HG21 ILE 58 -10.280 -6.675 -3.871 359 HG22 ILE 58 HG22 ILE 58 -11.361 -5.321 -4.203 360 HG23 ILE 58 HG23 ILE 58 -10.084 -5.157 -2.996 361 HD11 ILE 58 HD11 ILE 58 -8.221 -5.095 -2.542 362 HD12 ILE 58 HD12 ILE 58 -7.544 -3.710 -3.399 363 HD13 ILE 58 HD13 ILE 58 -6.535 -5.117 -3.058 364 H ARG 59 HN ARG 59 -10.384 -3.393 -7.036 365 HA ARG 59 HA ARG 59 -8.321 -3.194 -9.133 366 HB2 ARG 59 HB2 ARG 59 -11.209 -2.322 -9.375 367 HB3 ARG 59 HB1 ARG 59 -9.953 -1.939 -10.540 368 HG2 ARG 59 HG2 ARG 59 -10.828 -4.730 -9.833 369 HG3 ARG 59 HG1 ARG 59 -11.415 -3.807 -11.218 370 HD2 ARG 59 HD2 ARG 59 -9.130 -3.660 -12.086 371 HD3 ARG 59 HD1 ARG 59 -8.548 -4.587 -10.706 372 HE ARG 59 HE ARG 59 -10.090 -5.593 -12.968 373 HH11 ARG 59 HH11 ARG 59 -8.579 -6.216 -9.868 374 HH12 ARG 59 HH12 ARG 59 -8.610 -7.943 -10.063 375 HH21 ARG 59 HH21 ARG 59 -10.120 -7.852 -13.229 376 HH22 ARG 59 HH22 ARG 59 -9.484 -8.880 -11.982 377 H PHE 60 HN PHE 60 -7.368 -1.188 -9.351 378 HA PHE 60 HA PHE 60 -8.188 0.821 -7.365 379 HB2 PHE 60 HB2 PHE 60 -5.456 0.192 -8.493 380 HB3 PHE 60 HB1 PHE 60 -5.801 1.627 -7.534 381 HD1 PHE 60 HD1 PHE 60 -5.573 -2.041 -7.473 382 HD2 PHE 60 HD2 PHE 60 -6.079 1.504 -5.176 383 HE1 PHE 60 HE1 PHE 60 -5.193 -3.328 -5.411 384 HE2 PHE 60 HE2 PHE 60 -5.699 0.223 -3.112 385 HZ PHE 60 HZ PHE 60 -5.256 -2.197 -3.226 386 H ARG 61 HN ARG 61 -8.630 2.849 -8.021 387 HA ARG 61 HA ARG 61 -8.067 3.558 -10.818 388 HB2 ARG 61 HB2 ARG 61 -10.361 2.704 -10.699 389 HB3 ARG 61 HB1 ARG 61 -10.730 3.845 -9.419 390 HG2 ARG 61 HG2 ARG 61 -10.537 5.694 -10.899 391 HG3 ARG 61 HG1 ARG 61 -9.881 4.671 -12.178 392 HD2 ARG 61 HD2 ARG 61 -12.650 4.436 -11.011 393 HD3 ARG 61 HD1 ARG 61 -12.253 5.233 -12.530 394 HE ARG 61 HE ARG 61 -11.318 2.537 -12.452 395 HH11 ARG 61 HH11 ARG 61 -14.939 3.345 -13.985 396 HH12 ARG 61 HH12 ARG 61 -14.161 4.505 -12.956 397 HH21 ARG 61 HH21 ARG 61 -12.338 0.996 -13.799 398 HH22 ARG 61 HH22 ARG 61 -13.904 1.344 -14.459 399 H PHE 62 HN PHE 62 -7.754 5.730 -11.219 400 HA PHE 62 HA PHE 62 -8.033 7.618 -9.003 401 HB2 PHE 62 HB2 PHE 62 -5.690 6.765 -8.946 402 HB3 PHE 62 HB1 PHE 62 -5.476 7.315 -10.605 403 HD1 PHE 62 HD1 PHE 62 -6.203 8.471 -7.167 404 HD2 PHE 62 HD2 PHE 62 -4.874 9.527 -11.067 405 HE1 PHE 62 HE1 PHE 62 -5.544 10.688 -6.337 406 HE2 PHE 62 HE2 PHE 62 -4.208 11.746 -10.244 407 HZ PHE 62 HZ PHE 62 -4.539 12.332 -7.874 408 H ASP 63 HN ASP 63 -8.942 9.436 -9.682 409 HA ASP 63 HA ASP 63 -9.787 11.076 -10.998 410 HB2 ASP 63 HB2 ASP 63 -7.230 11.221 -11.525 411 HB3 ASP 63 HB1 ASP 63 -7.690 10.552 -13.087 412 H GLY 64 HN GLY 64 -10.501 8.195 -11.422 413 HA2 GLY 64 HA2 GLY 64 -12.293 7.352 -12.682 414 HA3 GLY 64 HA1 GLY 64 -12.047 8.637 -13.852 415 H GLN 65 HN GLN 65 -9.051 7.455 -13.342 416 HA GLN 65 HA GLN 65 -9.300 5.587 -15.606 417 HB2 GLN 65 HB2 GLN 65 -6.731 6.903 -14.767 418 HB3 GLN 65 HB1 GLN 65 -7.154 6.221 -16.330 419 HG2 GLN 65 HG2 GLN 65 -8.325 8.726 -15.144 420 HG3 GLN 65 HG1 GLN 65 -7.060 8.662 -16.369 421 HE21 GLN 65 HE21 GLN 65 -9.767 9.809 -16.387 422 HE22 GLN 65 HE22 GLN 65 -10.550 9.117 -17.766 423 HA PRO 66 HA PRO 66 -7.938 2.363 -12.847 424 HB2 PRO 66 HB2 PRO 66 -6.952 0.896 -15.180 425 HB3 PRO 66 HB1 PRO 66 -8.303 0.506 -14.108 426 HG2 PRO 66 HG2 PRO 66 -8.667 1.283 -16.665 427 HG3 PRO 66 HG1 PRO 66 -9.831 1.638 -15.376 428 HD2 PRO 66 HD2 PRO 66 -7.792 3.432 -16.622 429 HD3 PRO 66 HD1 PRO 66 -9.454 3.788 -16.107 430 H ILE 67 HN ILE 67 -6.088 2.269 -11.720 431 HA ILE 67 HA ILE 67 -3.711 3.492 -12.720 432 HB ILE 67 HB ILE 67 -3.951 1.856 -10.200 433 HG12 ILE 67 HG12 ILE 67 -4.499 4.810 -10.595 434 HG13 ILE 67 HG11 ILE 67 -5.722 3.581 -10.290 435 HG21 ILE 67 HG21 ILE 67 -2.119 3.276 -9.418 436 HG22 ILE 67 HG22 ILE 67 -2.103 4.115 -10.970 437 HG23 ILE 67 HG23 ILE 67 -1.672 2.406 -10.886 438 HD11 ILE 67 HD11 ILE 67 -4.626 3.121 -8.114 439 HD12 ILE 67 HD12 ILE 67 -5.274 4.753 -8.260 440 HD13 ILE 67 HD13 ILE 67 -3.542 4.475 -8.423 441 H ASN 68 HN ASN 68 -1.938 2.630 -13.560 442 HA ASN 68 HA ASN 68 -1.910 -0.220 -14.138 443 HB2 ASN 68 HB2 ASN 68 -0.345 2.138 -15.168 444 HB3 ASN 68 HB1 ASN 68 0.190 0.489 -15.477 445 HD21 ASN 68 HD21 ASN 68 -2.203 2.906 -16.155 446 HD22 ASN 68 HD22 ASN 68 -2.960 2.073 -17.469 447 H GLU 69 HN GLU 69 0.267 -1.327 -13.982 448 HA GLU 69 HA GLU 69 1.236 -1.014 -11.277 449 HB2 GLU 69 HB2 GLU 69 1.823 -3.026 -13.443 450 HB3 GLU 69 HB1 GLU 69 2.588 -3.065 -11.862 451 HG2 GLU 69 HG2 GLU 69 0.654 -3.685 -10.788 452 HG3 GLU 69 HG1 GLU 69 -0.383 -3.010 -12.043 453 H THR 70 HN THR 70 2.075 0.444 -14.107 454 HA THR 70 HA THR 70 4.919 0.610 -13.344 455 HB THR 70 HB THR 70 5.190 1.373 -15.797 456 HG1 THR 70 HG1 THR 70 3.251 1.530 -16.693 457 HG21 THR 70 HG21 THR 70 4.439 -1.493 -15.189 458 HG22 THR 70 HG22 THR 70 6.027 -0.765 -14.945 459 HG23 THR 70 HG23 THR 70 5.381 -0.944 -16.577 460 H ASP 71 HN ASP 71 2.853 2.272 -12.211 461 HA ASP 71 HA ASP 71 3.622 4.876 -13.362 462 HB2 ASP 71 HB2 ASP 71 0.966 3.925 -12.357 463 HB3 ASP 71 HB1 ASP 71 1.376 5.634 -12.258 464 H THR 72 HN THR 72 3.884 6.612 -11.947 465 HA THR 72 HA THR 72 4.203 5.927 -9.099 466 HB THR 72 HB THR 72 6.106 7.590 -9.088 467 HG1 THR 72 HG1 THR 72 7.080 7.878 -11.238 468 HG21 THR 72 HG21 THR 72 6.255 4.987 -10.557 469 HG22 THR 72 HG22 THR 72 6.855 5.403 -8.951 470 HG23 THR 72 HG23 THR 72 7.694 5.992 -10.384 471 HA PRO 73 HA PRO 73 1.771 9.508 -8.128 472 HB2 PRO 73 HB2 PRO 73 4.012 10.652 -6.548 473 HB3 PRO 73 HB1 PRO 73 2.357 10.279 -6.044 474 HG2 PRO 73 HG2 PRO 73 4.368 8.738 -5.259 475 HG3 PRO 73 HG1 PRO 73 2.798 8.040 -5.706 476 HD2 PRO 73 HD2 PRO 73 5.343 8.114 -7.269 477 HD3 PRO 73 HD1 PRO 73 4.135 6.819 -7.137 478 H ALA 74 HN ALA 74 5.151 10.188 -8.918 479 HA ALA 74 HA ALA 74 4.653 12.868 -9.769 480 HB1 ALA 74 HB1 ALA 74 6.947 12.853 -10.547 481 HB2 ALA 74 HB2 ALA 74 7.032 11.105 -10.334 482 HB3 ALA 74 HB3 ALA 74 6.842 12.158 -8.932 483 H GLN 75 HN GLN 75 4.816 9.734 -11.352 484 HA GLN 75 HA GLN 75 4.935 10.626 -14.020 485 HB2 GLN 75 HB2 GLN 75 5.398 8.312 -13.461 486 HB3 GLN 75 HB1 GLN 75 3.770 8.102 -12.837 487 HG2 GLN 75 HG2 GLN 75 3.702 7.083 -14.914 488 HG3 GLN 75 HG1 GLN 75 2.988 8.668 -15.204 489 HE21 GLN 75 HE21 GLN 75 3.465 8.760 -17.352 490 HE22 GLN 75 HE22 GLN 75 5.077 8.883 -17.965 491 H LEU 76 HN LEU 76 2.256 10.160 -11.804 492 HA LEU 76 HA LEU 76 0.336 10.846 -13.899 493 HB2 LEU 76 HB2 LEU 76 -0.086 9.981 -11.041 494 HB3 LEU 76 HB1 LEU 76 -1.369 10.296 -12.195 495 HG LEU 76 HG LEU 76 0.713 8.118 -12.416 496 HD11 LEU 76 HD11 LEU 76 -0.958 7.714 -10.671 497 HD12 LEU 76 HD12 LEU 76 -1.138 6.596 -12.023 498 HD13 LEU 76 HD13 LEU 76 -2.246 7.959 -11.850 499 HD21 LEU 76 HD21 LEU 76 0.087 8.915 -14.609 500 HD22 LEU 76 HD22 LEU 76 -1.623 8.805 -14.192 501 HD23 LEU 76 HD23 LEU 76 -0.649 7.340 -14.314 502 H GLU 77 HN GLU 77 2.304 12.585 -12.072 503 HA GLU 77 HA GLU 77 2.361 14.679 -11.189 504 HB2 GLU 77 HB2 GLU 77 0.047 15.010 -13.104 505 HB3 GLU 77 HB1 GLU 77 0.835 16.347 -12.277 506 HG2 GLU 77 HG2 GLU 77 2.255 14.424 -14.101 507 HG3 GLU 77 HG1 GLU 77 1.581 15.966 -14.624 508 H MET 78 HN MET 78 1.166 12.899 -9.537 509 HA MET 78 HA MET 78 -1.360 13.898 -8.572 510 HB2 MET 78 HB2 MET 78 0.541 11.809 -7.499 511 HB3 MET 78 HB1 MET 78 -1.004 12.202 -6.760 512 HG2 MET 78 HG2 MET 78 -2.219 11.335 -8.552 513 HG3 MET 78 HG1 MET 78 -0.818 11.354 -9.621 514 HE1 MET 78 HE1 MET 78 -1.018 10.151 -5.911 515 HE2 MET 78 HE2 MET 78 -1.268 8.416 -6.091 516 HE3 MET 78 HE3 MET 78 -2.543 9.543 -6.555 517 H GLU 79 HN GLU 79 -1.640 14.511 -6.286 518 HA GLU 79 HA GLU 79 0.708 15.874 -5.165 519 HB2 GLU 79 HB2 GLU 79 -1.973 17.091 -5.779 520 HB3 GLU 79 HB1 GLU 79 -0.954 17.743 -4.504 521 HG2 GLU 79 HG2 GLU 79 -0.271 17.520 -7.425 522 HG3 GLU 79 HG1 GLU 79 -0.615 18.993 -6.523 523 H ASP 80 HN ASP 80 -0.179 16.879 -2.908 524 HA ASP 80 HA ASP 80 -0.698 14.573 -1.320 525 HB2 ASP 80 HB2 ASP 80 0.618 16.785 -0.762 526 HB3 ASP 80 HB1 ASP 80 -0.961 17.346 -0.224 527 H GLU 81 HN GLU 81 -2.450 14.219 0.093 528 HA GLU 81 HA GLU 81 -4.604 14.076 0.741 529 HB2 GLU 81 HB2 GLU 81 -4.682 16.829 -0.444 530 HB3 GLU 81 HB1 GLU 81 -6.161 16.050 0.102 531 HG2 GLU 81 HG2 GLU 81 -4.611 15.659 2.262 532 HG3 GLU 81 HG1 GLU 81 -3.917 17.161 1.653 533 H ASP 82 HN ASP 82 -3.581 13.506 -2.173 534 HA ASP 82 HA ASP 82 -5.960 13.525 -3.745 535 HB2 ASP 82 HB2 ASP 82 -3.204 12.514 -4.047 536 HB3 ASP 82 HB1 ASP 82 -4.427 11.582 -4.902 537 H THR 83 HN THR 83 -7.347 11.764 -4.254 538 HA THR 83 HA THR 83 -7.307 9.656 -2.194 539 HB THR 83 HB THR 83 -9.793 10.276 -3.709 540 HG1 THR 83 HG1 THR 83 -8.427 12.075 -2.186 541 HG21 THR 83 HG21 THR 83 -9.617 8.418 -2.041 542 HG22 THR 83 HG22 THR 83 -10.861 9.607 -1.662 543 HG23 THR 83 HG23 THR 83 -9.327 9.633 -0.795 544 H ILE 84 HN ILE 84 -7.215 7.599 -2.753 545 HA ILE 84 HA ILE 84 -7.329 6.903 -5.609 546 HB ILE 84 HB ILE 84 -6.162 5.339 -3.290 547 HG12 ILE 84 HG12 ILE 84 -4.104 5.838 -5.017 548 HG13 ILE 84 HG11 ILE 84 -5.047 7.315 -5.175 549 HG21 ILE 84 HG21 ILE 84 -7.027 3.854 -5.009 550 HG22 ILE 84 HG22 ILE 84 -5.262 3.831 -4.998 551 HG23 ILE 84 HG23 ILE 84 -6.126 4.735 -6.243 552 HD11 ILE 84 HD11 ILE 84 -4.936 7.616 -2.743 553 HD12 ILE 84 HD12 ILE 84 -3.341 7.576 -3.497 554 HD13 ILE 84 HD13 ILE 84 -3.942 6.165 -2.628 555 H ASP 85 HN ASP 85 -8.927 5.627 -6.360 556 HA ASP 85 HA ASP 85 -11.001 4.810 -4.479 557 HB2 ASP 85 HB2 ASP 85 -10.870 5.125 -7.458 558 HB3 ASP 85 HB1 ASP 85 -12.152 4.165 -6.736 559 H VAL 86 HN VAL 86 -11.232 2.804 -3.781 560 HA VAL 86 HA VAL 86 -9.829 0.643 -5.211 561 HB VAL 86 HB VAL 86 -10.788 0.608 -2.342 562 HG11 VAL 86 HG11 VAL 86 -10.586 -1.603 -3.316 563 HG12 VAL 86 HG12 VAL 86 -9.289 -1.342 -2.152 564 HG13 VAL 86 HG13 VAL 86 -8.956 -1.234 -3.880 565 HG21 VAL 86 HG21 VAL 86 -8.016 1.121 -3.415 566 HG22 VAL 86 HG22 VAL 86 -8.438 0.911 -1.716 567 HG23 VAL 86 HG23 VAL 86 -9.054 2.300 -2.612 568 H PHE 87 HN PHE 87 -11.114 -0.546 -6.422 569 HA PHE 87 HA PHE 87 -13.922 -0.911 -5.601 570 HB2 PHE 87 HB2 PHE 87 -12.703 -0.977 -8.370 571 HB3 PHE 87 HB1 PHE 87 -14.390 -1.326 -8.008 572 HD1 PHE 87 HD1 PHE 87 -15.575 0.589 -6.591 573 HD2 PHE 87 HD2 PHE 87 -12.175 1.121 -9.084 574 HE1 PHE 87 HE1 PHE 87 -16.114 2.977 -6.801 575 HE2 PHE 87 HE2 PHE 87 -12.702 3.511 -9.294 576 HZ PHE 87 HZ PHE 87 -14.673 4.446 -8.154 577 H GLN 88 HN GLN 88 -14.835 -2.981 -6.750 578 HA GLN 88 HA GLN 88 -12.956 -5.189 -6.214 579 HB2 GLN 88 HB2 GLN 88 -15.798 -4.766 -5.409 580 HB3 GLN 88 HB1 GLN 88 -15.276 -6.406 -5.769 581 HG2 GLN 88 HG2 GLN 88 -13.482 -4.930 -3.991 582 HG3 GLN 88 HG1 GLN 88 -15.099 -5.201 -3.343 583 HE21 GLN 88 HE21 GLN 88 -14.314 -6.615 -1.783 584 HE22 GLN 88 HE22 GLN 88 -13.813 -8.222 -2.173 585 H GLN 89 HN GLN 89 -13.044 -6.993 -7.573 586 HA GLN 89 HA GLN 89 -14.047 -6.451 -10.224 587 HB2 GLN 89 HB2 GLN 89 -11.847 -7.504 -9.912 588 HB3 GLN 89 HB1 GLN 89 -12.608 -8.872 -9.115 589 HG2 GLN 89 HG2 GLN 89 -11.966 -9.303 -11.464 590 HG3 GLN 89 HG1 GLN 89 -13.682 -9.545 -11.142 591 HE21 GLN 89 HE21 GLN 89 -14.301 -9.256 -13.254 592 HE22 GLN 89 HE22 GLN 89 -14.240 -7.719 -14.048 593 H GLN 90 HN GLN 90 -15.636 -7.560 -11.307 594 HA GLN 90 HA GLN 90 -17.838 -8.463 -9.800 595 HB2 GLN 90 HB2 GLN 90 -17.205 -8.684 -12.746 596 HB3 GLN 90 HB1 GLN 90 -18.739 -9.180 -12.049 597 HG2 GLN 90 HG2 GLN 90 -19.243 -7.072 -12.767 598 HG3 GLN 90 HG1 GLN 90 -18.764 -6.747 -11.104 599 HE21 GLN 90 HE21 GLN 90 -18.204 -4.638 -11.541 600 HE22 GLN 90 HE22 GLN 90 -16.794 -4.221 -12.453 601 H THR 91 HN THR 91 -18.580 -10.458 -9.313 602 HA THR 91 HA THR 91 -16.700 -12.625 -9.314 603 HB THR 91 HB THR 91 -18.920 -13.788 -8.391 604 HG1 THR 91 HG1 THR 91 -19.657 -11.480 -7.242 605 HG21 THR 91 HG21 THR 91 -18.319 -12.863 -6.134 606 HG22 THR 91 HG22 THR 91 -17.207 -11.762 -6.948 607 HG23 THR 91 HG23 THR 91 -16.953 -13.504 -7.044 608 H GLY 92 HN GLY 92 -19.520 -11.708 -11.165 609 HA2 GLY 92 HA2 GLY 92 -19.993 -12.501 -13.329 610 HA3 GLY 92 HA1 GLY 92 -18.976 -13.900 -13.018 611 H1 ASP 195 HN ASP 195 -12.878 5.533 15.603 612 HA ASP 195 HA ASP 195 -14.583 4.982 13.759 613 HB2 ASP 195 HB2 ASP 195 -14.277 7.577 13.192 614 HB3 ASP 195 HB1 ASP 195 -13.021 6.930 12.145 615 H THR 196 HN THR 196 -12.759 5.304 11.259 616 HA THR 196 HA THR 196 -10.762 3.330 12.158 617 HB THR 196 HB THR 196 -11.536 3.350 9.308 618 HG1 THR 196 HG1 THR 196 -13.482 2.208 9.738 619 HG21 THR 196 HG21 THR 196 -11.453 0.876 9.713 620 HG22 THR 196 HG22 THR 196 -11.040 1.220 11.391 621 HG23 THR 196 HG23 THR 196 -9.955 1.722 10.097 622 H ALA 197 HN ALA 197 -8.743 3.995 11.986 623 HA ALA 197 HA ALA 197 -8.045 5.823 9.785 624 HB1 ALA 197 HB1 ALA 197 -6.550 7.035 11.198 625 HB2 ALA 197 HB2 ALA 197 -6.804 5.913 12.534 626 HB3 ALA 197 HB3 ALA 197 -8.114 6.973 12.011 627 H GLY 198 HN GLY 198 -6.514 4.997 8.507 628 HA2 GLY 198 HA2 GLY 198 -4.773 2.904 9.636 629 HA3 GLY 198 HA1 GLY 198 -5.478 2.779 8.030 630 H CYS 199 HN CYS 199 -2.598 3.218 9.370 631 HA CYS 199 HA CYS 199 -1.823 5.178 7.310 632 HB2 CYS 199 HB2 CYS 199 -0.687 4.761 10.073 633 HB3 CYS 199 HB1 CYS 199 0.170 5.656 8.824 634 HG CYS 199 HG CYS 199 -2.937 6.756 9.192 635 H ILE 200 HN ILE 200 -0.591 4.393 5.756 636 HA ILE 200 HA ILE 200 1.138 2.082 6.339 637 HB ILE 200 HB ILE 200 -0.416 2.517 3.782 638 HG12 ILE 200 HG12 ILE 200 -0.732 0.530 6.041 639 HG13 ILE 200 HG11 ILE 200 -1.891 1.756 5.534 640 HG21 ILE 200 HG21 ILE 200 0.446 0.162 3.325 641 HG22 ILE 200 HG22 ILE 200 1.623 0.464 4.602 642 HG23 ILE 200 HG23 ILE 200 1.602 1.482 3.161 643 HD11 ILE 200 HD11 ILE 200 -2.604 -0.412 4.778 644 HD12 ILE 200 HD12 ILE 200 -1.054 -0.677 3.980 645 HD13 ILE 200 HD13 ILE 200 -2.146 0.573 3.387 646 H VAL 201 HN VAL 201 3.244 2.371 5.793 647 HA VAL 201 HA VAL 201 3.864 4.556 3.919 648 HB VAL 201 HB VAL 201 4.554 5.288 6.112 649 HG11 VAL 201 HG11 VAL 201 4.659 3.139 7.239 650 HG12 VAL 201 HG12 VAL 201 6.157 4.037 7.474 651 HG13 VAL 201 HG13 VAL 201 6.101 2.705 6.318 652 HG21 VAL 201 HG21 VAL 201 7.029 5.487 5.768 653 HG22 VAL 201 HG22 VAL 201 6.056 5.952 4.374 654 HG23 VAL 201 HG23 VAL 201 6.867 4.388 4.401 655 H ILE 202 HN ILE 202 5.001 3.968 2.169 656 HA ILE 202 HA ILE 202 6.465 1.423 2.279 657 HB ILE 202 HB ILE 202 5.901 0.915 0.005 658 HG12 ILE 202 HG12 ILE 202 4.663 3.657 0.004 659 HG13 ILE 202 HG11 ILE 202 5.829 2.963 -1.121 660 HG21 ILE 202 HG21 ILE 202 4.299 0.244 1.743 661 HG22 ILE 202 HG22 ILE 202 3.524 0.515 0.185 662 HG23 ILE 202 HG23 ILE 202 3.388 1.726 1.458 663 HD11 ILE 202 HD11 ILE 202 4.082 2.719 -2.466 664 HD12 ILE 202 HD12 ILE 202 2.919 2.902 -1.152 665 HD13 ILE 202 HD13 ILE 202 3.667 1.334 -1.454 666 H SEP 203 HN SEP 203 8.560 1.498 1.719 667 HA SEP 203 HA SEP 203 9.469 3.918 0.318 668 HB2 SEP 203 HB1 SEP 203 11.527 3.821 1.578 669 HB3 SEP 203 HB2 SEP 203 11.046 2.302 2.330 670 H ASP 204 HN ASP 204 10.465 3.605 -1.565 671 HA ASP 204 HA ASP 204 11.644 0.957 -2.076 672 HB2 ASP 204 HB2 ASP 204 9.488 1.636 -3.379 673 HB3 ASP 204 HB1 ASP 204 10.578 2.668 -4.297 674 H SEP 205 HN SEP 205 13.792 1.030 -2.549 675 HA SEP 205 HA SEP 205 14.834 3.663 -3.328 676 HB2 SEP 205 HB1 SEP 205 15.649 3.422 -1.178 677 HB3 SEP 205 HB2 SEP 205 16.978 2.782 -2.138 678 H GLU 206 HN GLU 206 16.018 3.816 -5.079 679 HA GLU 206 HA GLU 206 16.557 1.421 -6.631 680 HB2 GLU 206 HB2 GLU 206 15.625 3.020 -8.011 681 HB3 GLU 206 HB1 GLU 206 16.394 4.353 -7.162 682 HG2 GLU 206 HG2 GLU 206 17.351 4.244 -9.311 683 HG3 GLU 206 HG1 GLU 206 18.560 3.646 -8.177 Start of MODEL 12 1 H1 ASP 16 HN ASP 16 11.177 13.843 -0.619 2 HA ASP 16 HA ASP 16 10.139 14.737 1.427 3 HB2 ASP 16 HB2 ASP 16 8.398 16.078 -0.645 4 HB3 ASP 16 HB1 ASP 16 7.938 15.948 1.047 5 H HIS 17 HN HIS 17 8.133 13.898 2.367 6 HA HIS 17 HA HIS 17 7.293 11.468 0.979 7 HB2 HIS 17 HB2 HIS 17 7.284 12.380 3.828 8 HB3 HIS 17 HB1 HIS 17 6.103 11.176 3.330 9 HD2 HIS 17 HD2 HIS 17 7.135 8.673 2.661 10 HE1 HIS 17 HE1 HIS 17 11.018 9.531 4.103 11 HE2 HIS 17 HE2 HIS 17 9.446 7.691 3.340 12 H ILE 18 HN ILE 18 5.380 11.343 0.013 13 HA ILE 18 HA ILE 18 3.469 13.516 0.472 14 HB ILE 18 HB ILE 18 4.276 13.132 -1.856 15 HG12 ILE 18 HG12 ILE 18 1.329 12.532 -1.610 16 HG13 ILE 18 HG11 ILE 18 2.018 14.117 -1.266 17 HG21 ILE 18 HG21 ILE 18 3.400 11.203 -3.112 18 HG22 ILE 18 HG22 ILE 18 2.799 10.520 -1.603 19 HG23 ILE 18 HG23 ILE 18 4.532 10.734 -1.842 20 HD11 ILE 18 HD11 ILE 18 2.238 12.679 -3.898 21 HD12 ILE 18 HD12 ILE 18 2.790 14.312 -3.537 22 HD13 ILE 18 HD13 ILE 18 1.066 13.943 -3.523 23 H ASN 19 HN ASN 19 1.320 13.083 1.018 24 HA ASN 19 HA ASN 19 0.852 10.302 1.879 25 HB2 ASN 19 HB2 ASN 19 0.154 12.913 3.174 26 HB3 ASN 19 HB1 ASN 19 -0.822 11.483 3.499 27 HD21 ASN 19 HD21 ASN 19 2.341 12.922 3.781 28 HD22 ASN 19 HD22 ASN 19 2.934 11.843 4.997 29 H LEU 20 HN LEU 20 -0.708 9.273 0.912 30 HA LEU 20 HA LEU 20 -2.750 10.825 -0.536 31 HB2 LEU 20 HB2 LEU 20 -1.914 7.951 -0.971 32 HB3 LEU 20 HB1 LEU 20 -3.029 8.876 -1.963 33 HG LEU 20 HG LEU 20 -0.088 9.484 -1.641 34 HD11 LEU 20 HD11 LEU 20 0.163 8.655 -3.897 35 HD12 LEU 20 HD12 LEU 20 -1.559 8.299 -3.987 36 HD13 LEU 20 HD13 LEU 20 -0.530 7.396 -2.879 37 HD21 LEU 20 HD21 LEU 20 -2.060 10.639 -3.599 38 HD22 LEU 20 HD22 LEU 20 -0.392 11.139 -3.322 39 HD23 LEU 20 HD23 LEU 20 -1.615 11.425 -2.086 40 H LYS 21 HN LYS 21 -4.933 9.702 -0.640 41 HA LYS 21 HA LYS 21 -5.462 8.336 1.919 42 HB2 LYS 21 HB2 LYS 21 -7.163 10.454 0.597 43 HB3 LYS 21 HB1 LYS 21 -7.611 9.552 2.040 44 HG2 LYS 21 HG2 LYS 21 -5.657 10.502 3.205 45 HG3 LYS 21 HG1 LYS 21 -5.292 11.451 1.765 46 HD2 LYS 21 HD2 LYS 21 -7.519 12.516 1.950 47 HD3 LYS 21 HD1 LYS 21 -7.783 11.633 3.452 48 HE2 LYS 21 HE2 LYS 21 -5.905 12.742 4.488 49 HE3 LYS 21 HE1 LYS 21 -5.506 13.539 2.970 50 HZ1 LYS 21 HZ1 LYS 21 -7.450 14.268 4.945 51 HZ2 LYS 21 HZ2 LYS 21 -8.091 14.238 3.382 52 HZ3 LYS 21 HZ3 LYS 21 -6.742 15.208 3.720 53 H VAL 22 HN VAL 22 -6.340 6.422 1.678 54 HA VAL 22 HA VAL 22 -7.450 5.621 -0.882 55 HB VAL 22 HB VAL 22 -7.077 4.026 1.663 56 HG11 VAL 22 HG11 VAL 22 -8.811 3.055 0.288 57 HG12 VAL 22 HG12 VAL 22 -7.356 2.057 0.213 58 HG13 VAL 22 HG13 VAL 22 -7.763 3.127 -1.132 59 HG21 VAL 22 HG21 VAL 22 -4.949 4.772 0.747 60 HG22 VAL 22 HG22 VAL 22 -5.396 4.142 -0.839 61 HG23 VAL 22 HG23 VAL 22 -5.148 3.034 0.510 62 H ALA 23 HN ALA 23 -9.563 5.556 -1.333 63 HA ALA 23 HA ALA 23 -11.446 6.272 0.764 64 HB1 ALA 23 HB1 ALA 23 -11.816 5.981 -2.214 65 HB2 ALA 23 HB2 ALA 23 -11.587 7.487 -1.322 66 HB3 ALA 23 HB3 ALA 23 -13.054 6.534 -1.082 67 H GLY 24 HN GLY 24 -12.068 4.604 1.980 68 HA2 GLY 24 HA2 GLY 24 -12.404 1.956 0.884 69 HA3 GLY 24 HA1 GLY 24 -12.731 2.452 2.541 70 H GLN 25 HN GLN 25 -14.310 0.869 0.521 71 HA GLN 25 HA GLN 25 -16.521 2.405 -0.322 72 HB2 GLN 25 HB2 GLN 25 -16.321 -0.564 0.198 73 HB3 GLN 25 HB1 GLN 25 -17.646 0.224 -0.647 74 HG2 GLN 25 HG2 GLN 25 -14.772 0.075 -1.525 75 HG3 GLN 25 HG1 GLN 25 -16.154 -0.740 -2.253 76 HE21 GLN 25 HE21 GLN 25 -14.192 1.184 -3.344 77 HE22 GLN 25 HE22 GLN 25 -15.144 2.471 -4.005 78 H ASP 26 HN ASP 26 -15.653 1.230 2.749 79 HA ASP 26 HA ASP 26 -18.380 1.251 3.770 80 HB2 ASP 26 HB2 ASP 26 -17.461 0.430 5.829 81 HB3 ASP 26 HB1 ASP 26 -16.715 -0.472 4.513 82 H GLY 27 HN GLY 27 -15.625 3.346 3.595 83 HA2 GLY 27 HA2 GLY 27 -16.294 5.732 3.963 84 HA3 GLY 27 HA1 GLY 27 -16.951 5.183 5.496 85 H SER 28 HN SER 28 -14.583 3.321 5.794 86 HA SER 28 HA SER 28 -12.972 4.970 7.397 87 HB2 SER 28 HB2 SER 28 -11.388 3.024 7.400 88 HB3 SER 28 HB1 SER 28 -13.049 2.593 7.800 89 HG SER 28 HG SER 28 -13.314 1.749 5.744 90 H VAL 29 HN VAL 29 -10.786 5.687 7.098 91 HA VAL 29 HA VAL 29 -10.026 6.003 4.271 92 HB VAL 29 HB VAL 29 -10.859 8.124 5.187 93 HG11 VAL 29 HG11 VAL 29 -10.329 7.764 7.537 94 HG12 VAL 29 HG12 VAL 29 -9.651 9.289 6.962 95 HG13 VAL 29 HG13 VAL 29 -8.607 7.882 7.175 96 HG21 VAL 29 HG21 VAL 29 -8.938 9.531 4.610 97 HG22 VAL 29 HG22 VAL 29 -9.128 8.189 3.478 98 HG23 VAL 29 HG23 VAL 29 -7.877 8.124 4.721 99 H VAL 30 HN VAL 30 -7.889 5.787 3.745 100 HA VAL 30 HA VAL 30 -6.072 4.992 5.924 101 HB VAL 30 HB VAL 30 -5.863 3.897 3.125 102 HG11 VAL 30 HG11 VAL 30 -4.499 2.192 4.180 103 HG12 VAL 30 HG12 VAL 30 -4.789 2.915 5.763 104 HG13 VAL 30 HG13 VAL 30 -3.870 3.799 4.544 105 HG21 VAL 30 HG21 VAL 30 -6.996 1.888 3.848 106 HG22 VAL 30 HG22 VAL 30 -8.060 3.275 4.081 107 HG23 VAL 30 HG23 VAL 30 -7.224 2.563 5.461 108 H GLN 31 HN GLN 31 -4.435 6.339 6.127 109 HA GLN 31 HA GLN 31 -3.736 8.145 3.948 110 HB2 GLN 31 HB2 GLN 31 -4.043 9.017 6.251 111 HB3 GLN 31 HB1 GLN 31 -2.693 8.028 6.787 112 HG2 GLN 31 HG2 GLN 31 -1.176 9.269 5.362 113 HG3 GLN 31 HG1 GLN 31 -2.519 10.217 4.726 114 HE21 GLN 31 HE21 GLN 31 -0.071 10.999 6.210 115 HE22 GLN 31 HE22 GLN 31 -0.645 11.914 7.564 116 H PHE 32 HN PHE 32 -2.301 7.504 2.538 117 HA PHE 32 HA PHE 32 -0.302 5.492 3.251 118 HB2 PHE 32 HB2 PHE 32 -1.726 6.255 0.821 119 HB3 PHE 32 HB1 PHE 32 0.002 6.072 0.555 120 HD1 PHE 32 HD1 PHE 32 -3.040 4.350 1.703 121 HD2 PHE 32 HD2 PHE 32 1.024 3.950 0.522 122 HE1 PHE 32 HE1 PHE 32 -3.325 1.914 1.570 123 HE2 PHE 32 HE2 PHE 32 0.748 1.510 0.388 124 HZ PHE 32 HZ PHE 32 -1.431 0.486 0.909 125 H LYS 33 HN LYS 33 1.575 6.225 3.965 126 HA LYS 33 HA LYS 33 2.592 8.806 3.011 127 HB2 LYS 33 HB2 LYS 33 2.601 8.621 5.407 128 HB3 LYS 33 HB1 LYS 33 3.377 7.046 5.342 129 HG2 LYS 33 HG2 LYS 33 5.378 8.148 4.362 130 HG3 LYS 33 HG1 LYS 33 4.595 9.706 4.637 131 HD2 LYS 33 HD2 LYS 33 4.663 9.436 6.976 132 HD3 LYS 33 HD1 LYS 33 5.010 7.710 6.846 133 HE2 LYS 33 HE2 LYS 33 7.173 8.372 5.717 134 HE3 LYS 33 HE1 LYS 33 6.828 10.023 6.227 135 HZ1 LYS 33 HZ1 LYS 33 8.304 8.733 7.740 136 HZ2 LYS 33 HZ2 LYS 33 6.988 7.737 8.105 137 HZ3 LYS 33 HZ3 LYS 33 6.932 9.384 8.488 138 H ILE 34 HN ILE 34 3.598 8.500 1.111 139 HA ILE 34 HA ILE 34 5.774 6.535 1.057 140 HB ILE 34 HB ILE 34 5.050 5.368 -0.744 141 HG12 ILE 34 HG12 ILE 34 3.776 7.900 -1.803 142 HG13 ILE 34 HG11 ILE 34 5.302 7.189 -2.317 143 HG21 ILE 34 HG21 ILE 34 3.150 5.219 0.765 144 HG22 ILE 34 HG22 ILE 34 2.618 5.146 -0.915 145 HG23 ILE 34 HG23 ILE 34 2.421 6.635 0.010 146 HD11 ILE 34 HD11 ILE 34 2.553 6.047 -2.722 147 HD12 ILE 34 HD12 ILE 34 4.054 5.220 -3.134 148 HD13 ILE 34 HD13 ILE 34 3.622 6.721 -3.951 149 H LYS 35 HN LYS 35 7.367 6.991 -0.684 150 HA LYS 35 HA LYS 35 7.826 9.830 -0.859 151 HB2 LYS 35 HB2 LYS 35 9.401 7.550 -2.065 152 HB3 LYS 35 HB1 LYS 35 9.936 9.218 -1.944 153 HG2 LYS 35 HG2 LYS 35 9.645 8.944 0.580 154 HG3 LYS 35 HG1 LYS 35 9.561 7.213 0.246 155 HD2 LYS 35 HD2 LYS 35 11.744 7.365 -0.902 156 HD3 LYS 35 HD1 LYS 35 11.833 9.066 -0.447 157 HE2 LYS 35 HE2 LYS 35 13.113 7.878 1.149 158 HE3 LYS 35 HE1 LYS 35 11.609 8.325 1.949 159 HZ1 LYS 35 HZ1 LYS 35 11.516 5.756 0.655 160 HZ2 LYS 35 HZ2 LYS 35 11.042 6.195 2.225 161 HZ3 LYS 35 HZ3 LYS 35 12.663 5.844 1.892 162 H ARG 36 HN ARG 36 8.111 10.981 -2.868 163 HA ARG 36 HA ARG 36 5.982 10.539 -4.659 164 HB2 ARG 36 HB2 ARG 36 7.447 12.679 -3.996 165 HB3 ARG 36 HB1 ARG 36 8.213 12.275 -5.525 166 HG2 ARG 36 HG2 ARG 36 6.172 12.518 -6.708 167 HG3 ARG 36 HG1 ARG 36 5.248 12.634 -5.209 168 HD2 ARG 36 HD2 ARG 36 6.588 14.707 -4.691 169 HD3 ARG 36 HD1 ARG 36 7.194 14.627 -6.341 170 HE ARG 36 HE ARG 36 4.941 14.955 -7.122 171 HH11 ARG 36 HH11 ARG 36 5.483 15.583 -3.713 172 HH12 ARG 36 HH12 ARG 36 4.090 16.604 -3.552 173 HH21 ARG 36 HH21 ARG 36 3.111 16.266 -6.911 174 HH22 ARG 36 HH22 ARG 36 2.730 17.002 -5.383 175 H HIS 37 HN HIS 37 9.098 9.156 -4.644 176 HA HIS 37 HA HIS 37 8.911 8.572 -7.518 177 HB2 HIS 37 HB2 HIS 37 11.281 7.768 -7.277 178 HB3 HIS 37 HB1 HIS 37 11.049 9.486 -6.987 179 HD2 HIS 37 HD2 HIS 37 11.845 10.387 -4.555 180 HE1 HIS 37 HE1 HIS 37 12.821 6.604 -2.933 181 HE2 HIS 37 HE2 HIS 37 12.935 9.106 -2.574 182 H THR 38 HN THR 38 7.642 7.276 -4.961 183 HA THR 38 HA THR 38 8.586 4.552 -5.166 184 HB THR 38 HB THR 38 6.107 5.423 -3.705 185 HG1 THR 38 HG1 THR 38 7.490 6.795 -2.795 186 HG21 THR 38 HG21 THR 38 6.469 3.048 -3.755 187 HG22 THR 38 HG22 THR 38 6.862 3.634 -2.140 188 HG23 THR 38 HG23 THR 38 8.152 3.250 -3.273 189 HA PRO 39 HA PRO 39 5.975 3.440 -8.628 190 HB2 PRO 39 HB2 PRO 39 6.200 0.770 -7.328 191 HB3 PRO 39 HB1 PRO 39 6.518 1.234 -9.006 192 HG2 PRO 39 HG2 PRO 39 8.531 0.752 -7.345 193 HG3 PRO 39 HG1 PRO 39 8.623 2.063 -8.537 194 HD2 PRO 39 HD2 PRO 39 8.179 2.212 -5.600 195 HD3 PRO 39 HD1 PRO 39 9.045 3.328 -6.675 196 H LEU 40 HN LEU 40 3.808 3.341 -8.867 197 HA LEU 40 HA LEU 40 2.123 3.449 -6.595 198 HB2 LEU 40 HB2 LEU 40 1.492 3.159 -9.524 199 HB3 LEU 40 HB1 LEU 40 0.269 3.362 -8.284 200 HG LEU 40 HG LEU 40 2.423 5.354 -9.010 201 HD11 LEU 40 HD11 LEU 40 0.650 5.264 -10.648 202 HD12 LEU 40 HD12 LEU 40 0.507 6.741 -9.694 203 HD13 LEU 40 HD13 LEU 40 -0.567 5.378 -9.377 204 HD21 LEU 40 HD21 LEU 40 0.320 5.401 -6.855 205 HD22 LEU 40 HD22 LEU 40 1.160 6.839 -7.428 206 HD23 LEU 40 HD23 LEU 40 2.067 5.537 -6.663 207 H SER 41 HN SER 41 3.313 0.826 -8.458 208 HA SER 41 HA SER 41 1.239 -1.036 -8.093 209 HB2 SER 41 HB2 SER 41 3.444 -2.616 -8.159 210 HB3 SER 41 HB1 SER 41 2.708 -1.902 -9.594 211 HG SER 41 HG SER 41 4.376 -0.632 -9.819 212 H LYS 42 HN LYS 42 3.623 0.217 -5.933 213 HA LYS 42 HA LYS 42 3.682 -1.898 -4.058 214 HB2 LYS 42 HB2 LYS 42 4.271 1.049 -3.828 215 HB3 LYS 42 HB1 LYS 42 4.411 -0.043 -2.458 216 HG2 LYS 42 HG2 LYS 42 5.955 -1.406 -4.030 217 HG3 LYS 42 HG1 LYS 42 6.057 0.104 -4.942 218 HD2 LYS 42 HD2 LYS 42 7.713 0.636 -3.532 219 HD3 LYS 42 HD1 LYS 42 6.433 0.945 -2.351 220 HE2 LYS 42 HE2 LYS 42 8.105 -0.485 -1.363 221 HE3 LYS 42 HE1 LYS 42 6.624 -1.410 -1.604 222 HZ1 LYS 42 HZ1 LYS 42 8.938 -1.452 -3.471 223 HZ2 LYS 42 HZ2 LYS 42 7.565 -2.450 -3.523 224 HZ3 LYS 42 HZ3 LYS 42 8.675 -2.603 -2.257 225 H LEU 43 HN LEU 43 1.692 1.025 -4.318 226 HA LEU 43 HA LEU 43 0.292 0.682 -1.880 227 HB2 LEU 43 HB2 LEU 43 -0.562 2.097 -4.409 228 HB3 LEU 43 HB1 LEU 43 -1.376 2.224 -2.864 229 HG LEU 43 HG LEU 43 1.014 3.024 -2.053 230 HD11 LEU 43 HD11 LEU 43 1.302 4.492 -4.501 231 HD12 LEU 43 HD12 LEU 43 1.433 2.761 -4.806 232 HD13 LEU 43 HD13 LEU 43 2.491 3.529 -3.624 233 HD21 LEU 43 HD21 LEU 43 -0.998 4.693 -3.551 234 HD22 LEU 43 HD22 LEU 43 0.297 5.354 -2.548 235 HD23 LEU 43 HD23 LEU 43 -0.963 4.353 -1.819 236 H MET 44 HN MET 44 -0.234 -0.449 -5.144 237 HA MET 44 HA MET 44 -2.827 -1.469 -4.850 238 HB2 MET 44 HB2 MET 44 -1.356 -1.127 -6.965 239 HB3 MET 44 HB1 MET 44 -0.762 -2.743 -6.619 240 HG2 MET 44 HG2 MET 44 -2.977 -3.657 -6.835 241 HG3 MET 44 HG1 MET 44 -3.660 -2.044 -7.024 242 HE1 MET 44 HE1 MET 44 -2.199 -0.935 -10.479 243 HE2 MET 44 HE2 MET 44 -1.205 -0.810 -9.029 244 HE3 MET 44 HE3 MET 44 -2.922 -0.418 -8.957 245 H LYS 45 HN LYS 45 0.295 -2.752 -3.951 246 HA LYS 45 HA LYS 45 -0.878 -5.348 -3.304 247 HB2 LYS 45 HB2 LYS 45 1.983 -4.389 -3.322 248 HB3 LYS 45 HB1 LYS 45 1.490 -6.002 -2.826 249 HG2 LYS 45 HG2 LYS 45 0.495 -6.325 -5.087 250 HG3 LYS 45 HG1 LYS 45 1.183 -4.769 -5.555 251 HD2 LYS 45 HD2 LYS 45 2.869 -6.997 -4.438 252 HD3 LYS 45 HD1 LYS 45 2.508 -6.865 -6.160 253 HE2 LYS 45 HE2 LYS 45 3.526 -4.649 -6.214 254 HE3 LYS 45 HE1 LYS 45 3.849 -4.741 -4.484 255 HZ1 LYS 45 HZ1 LYS 45 5.024 -6.450 -6.604 256 HZ2 LYS 45 HZ2 LYS 45 5.249 -6.707 -4.950 257 HZ3 LYS 45 HZ3 LYS 45 5.826 -5.292 -5.669 258 H ALA 46 HN ALA 46 0.617 -2.567 -1.737 259 HA ALA 46 HA ALA 46 1.013 -3.600 0.812 260 HB1 ALA 46 HB1 ALA 46 1.859 -1.430 0.055 261 HB2 ALA 46 HB2 ALA 46 1.007 -1.306 1.594 262 HB3 ALA 46 HB3 ALA 46 0.219 -0.784 0.105 263 H TYR 47 HN TYR 47 -1.846 -1.740 -0.290 264 HA TYR 47 HA TYR 47 -3.265 -2.192 2.136 265 HB2 TYR 47 HB2 TYR 47 -3.688 -0.300 0.531 266 HB3 TYR 47 HB1 TYR 47 -4.442 -1.463 -0.555 267 HD1 TYR 47 HD1 TYR 47 -6.754 -1.421 -0.529 268 HD2 TYR 47 HD2 TYR 47 -4.661 -0.634 3.092 269 HE1 TYR 47 HE1 TYR 47 -8.898 -1.116 0.640 270 HE2 TYR 47 HE2 TYR 47 -6.797 -0.330 4.267 271 HH TYR 47 HH TYR 47 -9.805 -1.197 2.889 272 H CYS 48 HN CYS 48 -2.938 -3.933 -0.843 273 HA CYS 48 HA CYS 48 -5.208 -5.595 -0.648 274 HB2 CYS 48 HB2 CYS 48 -3.911 -5.320 -2.714 275 HB3 CYS 48 HB1 CYS 48 -2.542 -6.138 -1.968 276 HG CYS 48 HG CYS 48 -3.513 -8.620 -2.041 277 H GLU 49 HN GLU 49 -1.825 -6.104 0.302 278 HA GLU 49 HA GLU 49 -2.177 -8.676 1.385 279 HB2 GLU 49 HB2 GLU 49 -0.113 -6.531 1.845 280 HB3 GLU 49 HB1 GLU 49 -0.028 -8.099 2.635 281 HG2 GLU 49 HG2 GLU 49 -0.166 -7.757 -0.346 282 HG3 GLU 49 HG1 GLU 49 1.345 -7.857 0.558 283 H ARG 50 HN ARG 50 -2.670 -5.481 2.681 284 HA ARG 50 HA ARG 50 -2.786 -6.218 5.414 285 HB2 ARG 50 HB2 ARG 50 -3.663 -3.836 3.834 286 HB3 ARG 50 HB1 ARG 50 -4.207 -4.014 5.495 287 HG2 ARG 50 HG2 ARG 50 -1.493 -4.504 5.639 288 HG3 ARG 50 HG1 ARG 50 -1.629 -3.196 4.464 289 HD2 ARG 50 HD2 ARG 50 -2.826 -1.834 6.016 290 HD3 ARG 50 HD1 ARG 50 -2.973 -3.171 7.156 291 HE ARG 50 HE ARG 50 -0.294 -2.873 6.862 292 HH11 ARG 50 HH11 ARG 50 -1.893 0.326 8.703 293 HH12 ARG 50 HH12 ARG 50 -2.891 -0.683 7.707 294 HH21 ARG 50 HH21 ARG 50 1.029 -1.554 8.175 295 HH22 ARG 50 HH22 ARG 50 0.341 -0.171 8.965 296 H GLN 51 HN GLN 51 -5.205 -5.984 2.852 297 HA GLN 51 HA GLN 51 -7.408 -6.549 4.599 298 HB2 GLN 51 HB2 GLN 51 -7.207 -6.659 1.583 299 HB3 GLN 51 HB1 GLN 51 -8.699 -6.835 2.489 300 HG2 GLN 51 HG2 GLN 51 -7.045 -4.406 2.018 301 HG3 GLN 51 HG1 GLN 51 -8.782 -4.634 1.856 302 HE21 GLN 51 HE21 GLN 51 -10.072 -4.625 3.754 303 HE22 GLN 51 HE22 GLN 51 -9.512 -3.866 5.203 304 H GLY 52 HN GLY 52 -5.186 -8.396 2.668 305 HA2 GLY 52 HA2 GLY 52 -4.661 -10.652 3.027 306 HA3 GLY 52 HA1 GLY 52 -6.152 -10.832 3.935 307 H LEU 53 HN LEU 53 -5.824 -9.510 0.662 308 HA LEU 53 HA LEU 53 -7.156 -11.924 -0.358 309 HB2 LEU 53 HB2 LEU 53 -8.330 -10.153 -1.944 310 HB3 LEU 53 HB1 LEU 53 -9.020 -10.637 -0.408 311 HG LEU 53 HG LEU 53 -7.700 -8.557 0.506 312 HD11 LEU 53 HD11 LEU 53 -6.531 -8.092 -1.594 313 HD12 LEU 53 HD12 LEU 53 -7.558 -6.742 -1.104 314 HD13 LEU 53 HD13 LEU 53 -8.083 -7.830 -2.393 315 HD21 LEU 53 HD21 LEU 53 -10.089 -8.766 0.619 316 HD22 LEU 53 HD22 LEU 53 -10.246 -8.395 -1.097 317 HD23 LEU 53 HD23 LEU 53 -9.685 -7.154 0.026 318 H SER 54 HN SER 54 -7.314 -11.485 -2.958 319 HA SER 54 HA SER 54 -4.538 -11.422 -3.782 320 HB2 SER 54 HB2 SER 54 -5.905 -13.211 -4.670 321 HB3 SER 54 HB1 SER 54 -7.092 -12.062 -5.275 322 HG SER 54 HG SER 54 -5.333 -13.008 -6.734 323 H MET 55 HN MET 55 -3.599 -9.957 -5.113 324 HA MET 55 HA MET 55 -4.642 -7.319 -5.139 325 HB2 MET 55 HB2 MET 55 -2.205 -7.976 -5.143 326 HB3 MET 55 HB1 MET 55 -2.388 -8.397 -6.839 327 HG2 MET 55 HG2 MET 55 -3.340 -5.916 -6.938 328 HG3 MET 55 HG1 MET 55 -2.281 -5.744 -5.539 329 HE1 MET 55 HE1 MET 55 -2.134 -7.712 -8.977 330 HE2 MET 55 HE2 MET 55 -1.016 -6.678 -9.861 331 HE3 MET 55 HE3 MET 55 -2.581 -6.053 -9.357 332 H ARG 56 HN ARG 56 -4.889 -9.986 -7.290 333 HA ARG 56 HA ARG 56 -5.670 -8.361 -9.559 334 HB2 ARG 56 HB2 ARG 56 -4.348 -10.547 -9.659 335 HB3 ARG 56 HB1 ARG 56 -5.873 -11.355 -9.328 336 HG2 ARG 56 HG2 ARG 56 -6.828 -10.397 -11.355 337 HG3 ARG 56 HG1 ARG 56 -5.303 -9.570 -11.685 338 HD2 ARG 56 HD2 ARG 56 -4.160 -11.625 -11.992 339 HD3 ARG 56 HD1 ARG 56 -5.521 -12.553 -11.366 340 HE ARG 56 HE ARG 56 -6.197 -11.030 -13.694 341 HH11 ARG 56 HH11 ARG 56 -4.749 -13.996 -12.555 342 HH12 ARG 56 HH12 ARG 56 -5.072 -14.871 -14.017 343 HH21 ARG 56 HH21 ARG 56 -6.624 -12.163 -15.628 344 HH22 ARG 56 HH22 ARG 56 -6.144 -13.826 -15.770 345 H GLN 57 HN GLN 57 -7.160 -9.568 -6.810 346 HA GLN 57 HA GLN 57 -9.760 -10.007 -8.036 347 HB2 GLN 57 HB2 GLN 57 -8.760 -11.316 -6.047 348 HB3 GLN 57 HB1 GLN 57 -9.218 -9.923 -5.080 349 HG2 GLN 57 HG2 GLN 57 -11.555 -10.217 -5.863 350 HG3 GLN 57 HG1 GLN 57 -11.049 -11.690 -6.689 351 HE21 GLN 57 HE21 GLN 57 -12.993 -11.355 -4.549 352 HE22 GLN 57 HE22 GLN 57 -12.450 -12.356 -3.247 353 H ILE 58 HN ILE 58 -8.019 -7.366 -7.173 354 HA ILE 58 HA ILE 58 -10.455 -5.789 -6.699 355 HB ILE 58 HB ILE 58 -8.941 -4.203 -5.377 356 HG12 ILE 58 HG12 ILE 58 -7.286 -6.721 -5.096 357 HG13 ILE 58 HG11 ILE 58 -6.814 -5.320 -6.052 358 HG21 ILE 58 HG21 ILE 58 -9.704 -6.896 -4.263 359 HG22 ILE 58 HG22 ILE 58 -10.694 -5.440 -4.301 360 HG23 ILE 58 HG23 ILE 58 -9.257 -5.500 -3.283 361 HD11 ILE 58 HD11 ILE 58 -5.683 -5.239 -3.951 362 HD12 ILE 58 HD12 ILE 58 -7.199 -5.436 -3.071 363 HD13 ILE 58 HD13 ILE 58 -6.892 -3.956 -3.980 364 H ARG 59 HN ARG 59 -10.014 -3.400 -7.152 365 HA ARG 59 HA ARG 59 -8.040 -3.002 -9.278 366 HB2 ARG 59 HB2 ARG 59 -11.012 -2.553 -9.536 367 HB3 ARG 59 HB1 ARG 59 -9.855 -1.713 -10.556 368 HG2 ARG 59 HG2 ARG 59 -10.286 -4.687 -10.389 369 HG3 ARG 59 HG1 ARG 59 -10.732 -3.622 -11.722 370 HD2 ARG 59 HD2 ARG 59 -8.315 -3.075 -12.006 371 HD3 ARG 59 HD1 ARG 59 -7.947 -4.285 -10.778 372 HE ARG 59 HE ARG 59 -8.730 -4.756 -13.515 373 HH11 ARG 59 HH11 ARG 59 -8.403 -6.107 -10.303 374 HH12 ARG 59 HH12 ARG 59 -8.360 -7.757 -10.855 375 HH21 ARG 59 HH21 ARG 59 -8.653 -6.923 -14.257 376 HH22 ARG 59 HH22 ARG 59 -8.491 -8.216 -13.112 377 H PHE 60 HN PHE 60 -7.250 -0.958 -9.418 378 HA PHE 60 HA PHE 60 -8.162 0.926 -7.342 379 HB2 PHE 60 HB2 PHE 60 -5.447 0.306 -8.463 380 HB3 PHE 60 HB1 PHE 60 -5.771 1.882 -7.755 381 HD1 PHE 60 HD1 PHE 60 -5.962 -1.752 -6.997 382 HD2 PHE 60 HD2 PHE 60 -5.551 2.198 -5.474 383 HE1 PHE 60 HE1 PHE 60 -5.500 -2.666 -4.761 384 HE2 PHE 60 HE2 PHE 60 -5.089 1.293 -3.232 385 HZ PHE 60 HZ PHE 60 -5.061 -1.146 -2.871 386 H ARG 61 HN ARG 61 -8.755 2.948 -7.948 387 HA ARG 61 HA ARG 61 -8.305 3.707 -10.760 388 HB2 ARG 61 HB2 ARG 61 -10.853 3.622 -9.210 389 HB3 ARG 61 HB1 ARG 61 -10.636 4.909 -10.386 390 HG2 ARG 61 HG2 ARG 61 -10.260 3.247 -12.138 391 HG3 ARG 61 HG1 ARG 61 -10.491 1.953 -10.956 392 HD2 ARG 61 HD2 ARG 61 -12.757 2.615 -10.575 393 HD3 ARG 61 HD1 ARG 61 -12.551 4.068 -11.547 394 HE ARG 61 HE ARG 61 -12.120 1.588 -12.960 395 HH11 ARG 61 HH11 ARG 61 -15.540 3.673 -13.281 396 HH12 ARG 61 HH12 ARG 61 -14.428 4.033 -11.999 397 HH21 ARG 61 HH21 ARG 61 -13.594 1.106 -14.652 398 HH22 ARG 61 HH22 ARG 61 -15.066 2.013 -14.788 399 H PHE 62 HN PHE 62 -7.950 5.832 -11.185 400 HA PHE 62 HA PHE 62 -8.044 7.767 -8.996 401 HB2 PHE 62 HB2 PHE 62 -5.730 6.967 -8.972 402 HB3 PHE 62 HB1 PHE 62 -5.588 7.260 -10.702 403 HD1 PHE 62 HD1 PHE 62 -6.436 9.060 -7.553 404 HD2 PHE 62 HD2 PHE 62 -4.632 9.235 -11.406 405 HE1 PHE 62 HE1 PHE 62 -5.680 11.355 -7.088 406 HE2 PHE 62 HE2 PHE 62 -3.870 11.529 -10.947 407 HZ PHE 62 HZ PHE 62 -4.395 12.590 -8.787 408 H ASP 63 HN ASP 63 -9.124 9.479 -9.705 409 HA ASP 63 HA ASP 63 -10.045 11.062 -11.049 410 HB2 ASP 63 HB2 ASP 63 -7.612 11.521 -11.553 411 HB3 ASP 63 HB1 ASP 63 -7.778 10.502 -12.979 412 H GLY 64 HN GLY 64 -10.844 8.324 -11.236 413 HA2 GLY 64 HA2 GLY 64 -12.481 7.214 -12.435 414 HA3 GLY 64 HA1 GLY 64 -12.402 8.482 -13.646 415 H GLN 65 HN GLN 65 -9.300 7.567 -13.279 416 HA GLN 65 HA GLN 65 -9.509 5.649 -15.501 417 HB2 GLN 65 HB2 GLN 65 -7.049 7.205 -14.712 418 HB3 GLN 65 HB1 GLN 65 -7.341 6.344 -16.216 419 HG2 GLN 65 HG2 GLN 65 -8.809 8.813 -15.311 420 HG3 GLN 65 HG1 GLN 65 -7.481 8.779 -16.468 421 HE21 GLN 65 HE21 GLN 65 -10.205 9.701 -16.803 422 HE22 GLN 65 HE22 GLN 65 -10.875 8.783 -18.108 423 HA PRO 66 HA PRO 66 -8.059 2.465 -12.759 424 HB2 PRO 66 HB2 PRO 66 -6.946 1.204 -15.189 425 HB3 PRO 66 HB1 PRO 66 -8.152 0.584 -14.055 426 HG2 PRO 66 HG2 PRO 66 -8.845 1.372 -16.509 427 HG3 PRO 66 HG1 PRO 66 -9.907 1.631 -15.110 428 HD2 PRO 66 HD2 PRO 66 -8.151 3.580 -16.536 429 HD3 PRO 66 HD1 PRO 66 -9.774 3.803 -15.852 430 H ILE 67 HN ILE 67 -6.164 1.990 -11.722 431 HA ILE 67 HA ILE 67 -3.794 3.429 -12.617 432 HB ILE 67 HB ILE 67 -4.218 1.872 -10.061 433 HG12 ILE 67 HG12 ILE 67 -4.489 4.828 -10.658 434 HG13 ILE 67 HG11 ILE 67 -5.778 3.731 -10.178 435 HG21 ILE 67 HG21 ILE 67 -2.267 3.109 -9.244 436 HG22 ILE 67 HG22 ILE 67 -2.078 3.860 -10.828 437 HG23 ILE 67 HG23 ILE 67 -1.861 2.118 -10.646 438 HD11 ILE 67 HD11 ILE 67 -4.598 3.404 -8.016 439 HD12 ILE 67 HD12 ILE 67 -5.167 5.048 -8.294 440 HD13 ILE 67 HD13 ILE 67 -3.461 4.656 -8.507 441 H ASN 68 HN ASN 68 -2.036 2.525 -13.449 442 HA ASN 68 HA ASN 68 -2.029 -0.370 -13.861 443 HB2 ASN 68 HB2 ASN 68 -0.635 1.932 -15.212 444 HB3 ASN 68 HB1 ASN 68 -0.057 0.283 -15.422 445 HD21 ASN 68 HD21 ASN 68 -1.457 2.371 -17.166 446 HD22 ASN 68 HD22 ASN 68 -2.709 1.461 -17.938 447 H GLU 69 HN GLU 69 0.100 -1.482 -13.718 448 HA GLU 69 HA GLU 69 1.338 -0.805 -11.182 449 HB2 GLU 69 HB2 GLU 69 1.648 -3.191 -13.001 450 HB3 GLU 69 HB1 GLU 69 2.479 -3.003 -11.463 451 HG2 GLU 69 HG2 GLU 69 0.477 -3.129 -10.245 452 HG3 GLU 69 HG1 GLU 69 -0.509 -2.914 -11.692 453 H THR 70 HN THR 70 1.883 0.453 -14.018 454 HA THR 70 HA THR 70 4.811 0.414 -13.695 455 HB THR 70 HB THR 70 4.572 1.092 -16.292 456 HG1 THR 70 HG1 THR 70 2.420 0.776 -16.587 457 HG21 THR 70 HG21 THR 70 4.560 -1.758 -15.296 458 HG22 THR 70 HG22 THR 70 5.976 -0.704 -15.308 459 HG23 THR 70 HG23 THR 70 5.213 -1.177 -16.828 460 H ASP 71 HN ASP 71 2.905 2.258 -12.498 461 HA ASP 71 HA ASP 71 3.812 4.729 -13.817 462 HB2 ASP 71 HB2 ASP 71 1.091 4.009 -12.814 463 HB3 ASP 71 HB1 ASP 71 1.620 5.686 -12.701 464 H THR 72 HN THR 72 3.772 6.628 -12.336 465 HA THR 72 HA THR 72 4.353 5.905 -9.556 466 HB THR 72 HB THR 72 6.156 7.928 -10.034 467 HG1 THR 72 HG1 THR 72 7.226 7.388 -11.957 468 HG21 THR 72 HG21 THR 72 6.640 4.952 -10.224 469 HG22 THR 72 HG22 THR 72 6.575 5.897 -8.737 470 HG23 THR 72 HG23 THR 72 7.870 6.174 -9.901 471 HA PRO 73 HA PRO 73 1.981 9.383 -8.186 472 HB2 PRO 73 HB2 PRO 73 4.486 10.461 -6.964 473 HB3 PRO 73 HB1 PRO 73 2.898 10.214 -6.230 474 HG2 PRO 73 HG2 PRO 73 4.849 8.530 -5.692 475 HG3 PRO 73 HG1 PRO 73 3.201 7.930 -5.983 476 HD2 PRO 73 HD2 PRO 73 5.580 7.856 -7.779 477 HD3 PRO 73 HD1 PRO 73 4.282 6.664 -7.565 478 H ALA 74 HN ALA 74 5.268 10.517 -8.978 479 HA ALA 74 HA ALA 74 4.396 13.064 -9.893 480 HB1 ALA 74 HB1 ALA 74 6.708 13.397 -10.573 481 HB2 ALA 74 HB2 ALA 74 7.041 11.680 -10.347 482 HB3 ALA 74 HB3 ALA 74 6.632 12.690 -8.961 483 H GLN 75 HN GLN 75 4.416 10.003 -11.358 484 HA GLN 75 HA GLN 75 4.797 10.901 -14.063 485 HB2 GLN 75 HB2 GLN 75 5.224 8.538 -13.044 486 HB3 GLN 75 HB1 GLN 75 3.506 8.298 -13.327 487 HG2 GLN 75 HG2 GLN 75 4.715 7.401 -15.176 488 HG3 GLN 75 HG1 GLN 75 3.867 8.852 -15.709 489 HE21 GLN 75 HE21 GLN 75 5.270 9.110 -17.441 490 HE22 GLN 75 HE22 GLN 75 6.884 9.698 -17.236 491 H LEU 76 HN LEU 76 2.104 10.205 -11.928 492 HA LEU 76 HA LEU 76 0.185 10.740 -14.062 493 HB2 LEU 76 HB2 LEU 76 -0.180 9.833 -11.209 494 HB3 LEU 76 HB1 LEU 76 -1.511 10.170 -12.298 495 HG LEU 76 HG LEU 76 0.516 7.949 -12.497 496 HD11 LEU 76 HD11 LEU 76 -1.384 7.594 -10.998 497 HD12 LEU 76 HD12 LEU 76 -1.452 6.532 -12.404 498 HD13 LEU 76 HD13 LEU 76 -2.490 7.955 -12.324 499 HD21 LEU 76 HD21 LEU 76 -1.502 8.860 -14.540 500 HD22 LEU 76 HD22 LEU 76 -0.676 7.303 -14.576 501 HD23 LEU 76 HD23 LEU 76 0.251 8.797 -14.725 502 H GLU 77 HN GLU 77 1.985 12.604 -12.174 503 HA GLU 77 HA GLU 77 1.902 14.753 -11.437 504 HB2 GLU 77 HB2 GLU 77 -0.608 14.852 -13.119 505 HB3 GLU 77 HB1 GLU 77 0.214 16.256 -12.451 506 HG2 GLU 77 HG2 GLU 77 1.483 14.315 -14.365 507 HG3 GLU 77 HG1 GLU 77 0.683 15.808 -14.851 508 H MET 78 HN MET 78 0.832 12.790 -9.736 509 HA MET 78 HA MET 78 -1.674 13.670 -8.657 510 HB2 MET 78 HB2 MET 78 0.421 11.804 -7.544 511 HB3 MET 78 HB1 MET 78 -1.158 12.071 -6.825 512 HG2 MET 78 HG2 MET 78 -2.194 11.221 -8.903 513 HG3 MET 78 HG1 MET 78 -0.580 10.865 -9.516 514 HE1 MET 78 HE1 MET 78 -3.314 10.034 -6.882 515 HE2 MET 78 HE2 MET 78 -1.975 10.454 -5.819 516 HE3 MET 78 HE3 MET 78 -2.549 8.791 -5.897 517 H GLU 79 HN GLU 79 -1.925 14.354 -6.393 518 HA GLU 79 HA GLU 79 0.337 16.009 -5.490 519 HB2 GLU 79 HB2 GLU 79 -2.223 16.896 -6.370 520 HB3 GLU 79 HB1 GLU 79 -2.124 17.173 -4.637 521 HG2 GLU 79 HG2 GLU 79 -0.301 18.227 -6.781 522 HG3 GLU 79 HG1 GLU 79 -1.357 19.140 -5.701 523 H ASP 80 HN ASP 80 -0.339 16.863 -3.138 524 HA ASP 80 HA ASP 80 -0.361 14.503 -1.514 525 HB2 ASP 80 HB2 ASP 80 0.988 16.532 -0.982 526 HB3 ASP 80 HB1 ASP 80 -0.505 17.403 -0.657 527 H GLU 81 HN GLU 81 -1.892 13.825 -0.067 528 HA GLU 81 HA GLU 81 -3.933 13.400 0.792 529 HB2 GLU 81 HB2 GLU 81 -4.358 16.310 0.150 530 HB3 GLU 81 HB1 GLU 81 -5.605 15.318 0.894 531 HG2 GLU 81 HG2 GLU 81 -3.889 14.765 2.677 532 HG3 GLU 81 HG1 GLU 81 -2.924 16.077 2.005 533 H ASP 82 HN ASP 82 -3.306 13.088 -2.105 534 HA ASP 82 HA ASP 82 -5.783 13.472 -3.489 535 HB2 ASP 82 HB2 ASP 82 -3.120 12.637 -4.184 536 HB3 ASP 82 HB1 ASP 82 -4.281 11.475 -4.822 537 H THR 83 HN THR 83 -7.417 12.057 -3.823 538 HA THR 83 HA THR 83 -7.494 9.765 -2.033 539 HB THR 83 HB THR 83 -9.789 10.612 -3.760 540 HG1 THR 83 HG1 THR 83 -9.777 12.511 -2.835 541 HG21 THR 83 HG21 THR 83 -10.157 8.657 -2.425 542 HG22 THR 83 HG22 THR 83 -11.039 9.986 -1.671 543 HG23 THR 83 HG23 THR 83 -9.503 9.446 -0.990 544 H ILE 84 HN ILE 84 -7.778 7.670 -2.645 545 HA ILE 84 HA ILE 84 -7.646 7.085 -5.536 546 HB ILE 84 HB ILE 84 -6.451 5.386 -3.339 547 HG12 ILE 84 HG12 ILE 84 -4.962 7.153 -5.292 548 HG13 ILE 84 HG11 ILE 84 -5.316 7.623 -3.632 549 HG21 ILE 84 HG21 ILE 84 -7.057 4.113 -5.293 550 HG22 ILE 84 HG22 ILE 84 -5.299 4.278 -5.239 551 HG23 ILE 84 HG23 ILE 84 -6.250 5.273 -6.346 552 HD11 ILE 84 HD11 ILE 84 -4.007 5.751 -2.808 553 HD12 ILE 84 HD12 ILE 84 -3.044 6.773 -3.876 554 HD13 ILE 84 HD13 ILE 84 -3.680 5.238 -4.462 555 H ASP 85 HN ASP 85 -9.155 5.718 -6.314 556 HA ASP 85 HA ASP 85 -11.197 4.746 -4.474 557 HB2 ASP 85 HB2 ASP 85 -11.018 5.078 -7.451 558 HB3 ASP 85 HB1 ASP 85 -12.244 4.022 -6.762 559 H VAL 86 HN VAL 86 -11.503 2.657 -3.942 560 HA VAL 86 HA VAL 86 -9.911 0.620 -5.369 561 HB VAL 86 HB VAL 86 -10.548 0.631 -2.409 562 HG11 VAL 86 HG11 VAL 86 -10.435 -1.619 -3.285 563 HG12 VAL 86 HG12 VAL 86 -9.000 -1.289 -2.315 564 HG13 VAL 86 HG13 VAL 86 -8.898 -1.266 -4.076 565 HG21 VAL 86 HG21 VAL 86 -7.926 1.120 -3.820 566 HG22 VAL 86 HG22 VAL 86 -8.153 0.991 -2.076 567 HG23 VAL 86 HG23 VAL 86 -8.888 2.325 -2.964 568 H PHE 87 HN PHE 87 -11.117 -0.903 -6.292 569 HA PHE 87 HA PHE 87 -13.776 -1.481 -5.150 570 HB2 PHE 87 HB2 PHE 87 -13.090 -1.421 -8.098 571 HB3 PHE 87 HB1 PHE 87 -14.668 -1.765 -7.395 572 HD1 PHE 87 HD1 PHE 87 -15.751 0.081 -5.989 573 HD2 PHE 87 HD2 PHE 87 -12.510 0.752 -8.656 574 HE1 PHE 87 HE1 PHE 87 -16.314 2.476 -6.070 575 HE2 PHE 87 HE2 PHE 87 -13.070 3.146 -8.738 576 HZ PHE 87 HZ PHE 87 -14.973 4.009 -7.448 577 H GLN 88 HN GLN 88 -14.645 -3.621 -5.939 578 HA GLN 88 HA GLN 88 -12.460 -5.592 -5.926 579 HB2 GLN 88 HB2 GLN 88 -15.368 -5.851 -5.138 580 HB3 GLN 88 HB1 GLN 88 -14.246 -7.204 -5.208 581 HG2 GLN 88 HG2 GLN 88 -12.836 -6.059 -3.535 582 HG3 GLN 88 HG1 GLN 88 -14.059 -4.798 -3.416 583 HE21 GLN 88 HE21 GLN 88 -14.505 -5.168 -1.281 584 HE22 GLN 88 HE22 GLN 88 -15.326 -6.582 -0.718 585 H GLN 89 HN GLN 89 -12.507 -7.346 -7.373 586 HA GLN 89 HA GLN 89 -13.513 -6.687 -9.968 587 HB2 GLN 89 HB2 GLN 89 -11.342 -7.866 -9.497 588 HB3 GLN 89 HB1 GLN 89 -12.273 -9.286 -9.049 589 HG2 GLN 89 HG2 GLN 89 -11.392 -9.418 -11.326 590 HG3 GLN 89 HG1 GLN 89 -13.154 -9.466 -11.290 591 HE21 GLN 89 HE21 GLN 89 -13.282 -8.798 -13.432 592 HE22 GLN 89 HE22 GLN 89 -12.957 -7.169 -13.909 593 H GLN 90 HN GLN 90 -15.064 -7.750 -11.186 594 HA GLN 90 HA GLN 90 -17.323 -8.724 -9.776 595 HB2 GLN 90 HB2 GLN 90 -16.628 -8.585 -12.704 596 HB3 GLN 90 HB1 GLN 90 -18.142 -9.272 -12.135 597 HG2 GLN 90 HG2 GLN 90 -18.605 -7.049 -12.744 598 HG3 GLN 90 HG1 GLN 90 -18.583 -7.080 -10.983 599 HE21 GLN 90 HE21 GLN 90 -18.240 -4.842 -10.985 600 HE22 GLN 90 HE22 GLN 90 -16.680 -4.168 -11.322 601 H THR 91 HN THR 91 -18.320 -10.806 -9.975 602 HA THR 91 HA THR 91 -16.346 -12.955 -10.160 603 HB THR 91 HB THR 91 -18.286 -14.287 -9.085 604 HG1 THR 91 HG1 THR 91 -20.027 -12.992 -9.195 605 HG21 THR 91 HG21 THR 91 -17.720 -13.393 -6.839 606 HG22 THR 91 HG22 THR 91 -16.899 -12.041 -7.617 607 HG23 THR 91 HG23 THR 91 -16.303 -13.687 -7.843 608 H GLY 92 HN GLY 92 -19.573 -12.040 -11.316 609 HA2 GLY 92 HA2 GLY 92 -19.842 -12.530 -13.775 610 HA3 GLY 92 HA1 GLY 92 -19.347 -14.164 -13.358 611 H1 ASP 195 HN ASP 195 -12.996 5.563 15.968 612 HA ASP 195 HA ASP 195 -14.633 5.674 13.749 613 HB2 ASP 195 HB2 ASP 195 -12.955 8.081 14.073 614 HB3 ASP 195 HB1 ASP 195 -12.883 7.324 12.484 615 H THR 196 HN THR 196 -12.927 5.644 11.617 616 HA THR 196 HA THR 196 -10.917 3.678 12.477 617 HB THR 196 HB THR 196 -11.829 3.540 9.691 618 HG1 THR 196 HG1 THR 196 -13.831 3.942 10.674 619 HG21 THR 196 HG21 THR 196 -10.304 1.898 10.684 620 HG22 THR 196 HG22 THR 196 -11.814 1.142 10.176 621 HG23 THR 196 HG23 THR 196 -11.530 1.482 11.881 622 H ALA 197 HN ALA 197 -8.924 4.270 12.134 623 HA ALA 197 HA ALA 197 -8.308 5.998 9.835 624 HB1 ALA 197 HB1 ALA 197 -6.543 7.055 11.194 625 HB2 ALA 197 HB2 ALA 197 -7.091 6.142 12.598 626 HB3 ALA 197 HB3 ALA 197 -8.150 7.340 11.859 627 H GLY 198 HN GLY 198 -6.852 5.098 8.503 628 HA2 GLY 198 HA2 GLY 198 -5.142 2.961 9.611 629 HA3 GLY 198 HA1 GLY 198 -5.851 2.886 8.001 630 H CYS 199 HN CYS 199 -2.996 3.251 9.392 631 HA CYS 199 HA CYS 199 -2.119 5.217 7.386 632 HB2 CYS 199 HB2 CYS 199 -0.736 4.673 10.013 633 HB3 CYS 199 HB1 CYS 199 -0.382 5.963 8.865 634 HG CYS 199 HG CYS 199 -3.312 6.729 9.402 635 H ILE 200 HN ILE 200 -0.801 4.467 5.900 636 HA ILE 200 HA ILE 200 0.813 2.079 6.495 637 HB ILE 200 HB ILE 200 -0.498 2.655 3.831 638 HG12 ILE 200 HG12 ILE 200 -1.289 0.805 6.082 639 HG13 ILE 200 HG11 ILE 200 -2.262 2.053 5.312 640 HG21 ILE 200 HG21 ILE 200 0.236 0.415 3.234 641 HG22 ILE 200 HG22 ILE 200 0.981 0.218 4.820 642 HG23 ILE 200 HG23 ILE 200 1.612 1.419 3.690 643 HD11 ILE 200 HD11 ILE 200 -2.282 0.722 3.244 644 HD12 ILE 200 HD12 ILE 200 -3.007 -0.124 4.612 645 HD13 ILE 200 HD13 ILE 200 -1.378 -0.542 4.079 646 H VAL 201 HN VAL 201 2.961 2.340 6.075 647 HA VAL 201 HA VAL 201 3.700 4.535 4.254 648 HB VAL 201 HB VAL 201 4.341 5.275 6.425 649 HG11 VAL 201 HG11 VAL 201 4.197 3.191 7.637 650 HG12 VAL 201 HG12 VAL 201 5.758 3.955 7.935 651 HG13 VAL 201 HG13 VAL 201 5.643 2.587 6.826 652 HG21 VAL 201 HG21 VAL 201 6.806 5.366 6.291 653 HG22 VAL 201 HG22 VAL 201 6.026 5.707 4.744 654 HG23 VAL 201 HG23 VAL 201 6.760 4.128 5.032 655 H ILE 202 HN ILE 202 4.877 3.940 2.528 656 HA ILE 202 HA ILE 202 6.286 1.362 2.663 657 HB ILE 202 HB ILE 202 5.748 0.854 0.378 658 HG12 ILE 202 HG12 ILE 202 4.486 3.588 0.360 659 HG13 ILE 202 HG11 ILE 202 5.699 2.925 -0.737 660 HG21 ILE 202 HG21 ILE 202 4.137 0.184 2.092 661 HG22 ILE 202 HG22 ILE 202 3.345 0.495 0.546 662 HG23 ILE 202 HG23 ILE 202 3.249 1.685 1.845 663 HD11 ILE 202 HD11 ILE 202 4.156 2.181 -2.117 664 HD12 ILE 202 HD12 ILE 202 2.979 3.095 -1.178 665 HD13 ILE 202 HD13 ILE 202 3.259 1.391 -0.819 666 H SEP 203 HN SEP 203 8.358 1.358 2.078 667 HA SEP 203 HA SEP 203 9.389 3.760 0.738 668 HB2 SEP 203 HB1 SEP 203 11.411 3.600 2.020 669 HB3 SEP 203 HB2 SEP 203 10.904 2.073 2.733 670 H ASP 204 HN ASP 204 10.449 3.453 -1.086 671 HA ASP 204 HA ASP 204 11.408 0.753 -1.732 672 HB2 ASP 204 HB2 ASP 204 9.351 1.707 -3.023 673 HB3 ASP 204 HB1 ASP 204 10.547 2.700 -3.846 674 H SEP 205 HN SEP 205 13.494 0.615 -2.197 675 HA SEP 205 HA SEP 205 14.949 3.097 -2.784 676 HB2 SEP 205 HB1 SEP 205 15.507 2.256 -0.581 677 HB3 SEP 205 HB2 SEP 205 16.884 2.037 -1.656 678 H GLU 206 HN GLU 206 16.260 3.138 -4.505 679 HA GLU 206 HA GLU 206 15.991 1.343 -6.620 680 HB2 GLU 206 HB2 GLU 206 16.768 3.645 -6.916 681 HB3 GLU 206 HB1 GLU 206 18.242 3.270 -6.029 682 HG2 GLU 206 HG2 GLU 206 18.749 3.279 -8.359 683 HG3 GLU 206 HG1 GLU 206 18.820 1.616 -7.776 Start of MODEL 13 1 H1 ASP 16 HN ASP 16 10.075 14.027 -1.912 2 HA ASP 16 HA ASP 16 10.361 14.164 0.725 3 HB2 ASP 16 HB2 ASP 16 8.371 16.292 -0.080 4 HB3 ASP 16 HB1 ASP 16 8.430 15.602 1.537 5 H HIS 17 HN HIS 17 8.127 13.614 1.974 6 HA HIS 17 HA HIS 17 7.030 11.398 0.452 7 HB2 HIS 17 HB2 HIS 17 6.838 12.238 3.336 8 HB3 HIS 17 HB1 HIS 17 5.814 10.966 2.682 9 HD2 HIS 17 HD2 HIS 17 7.251 8.662 1.756 10 HE1 HIS 17 HE1 HIS 17 10.665 9.620 4.062 11 HE2 HIS 17 HE2 HIS 17 9.518 7.806 2.710 12 H ILE 18 HN ILE 18 5.020 11.248 -0.340 13 HA ILE 18 HA ILE 18 3.319 13.631 -0.115 14 HB ILE 18 HB ILE 18 4.008 12.923 -2.396 15 HG12 ILE 18 HG12 ILE 18 1.037 12.607 -1.926 16 HG13 ILE 18 HG11 ILE 18 1.884 14.151 -1.985 17 HG21 ILE 18 HG21 ILE 18 3.044 10.920 -3.401 18 HG22 ILE 18 HG22 ILE 18 2.350 10.468 -1.842 19 HG23 ILE 18 HG23 ILE 18 4.102 10.520 -2.046 20 HD11 ILE 18 HD11 ILE 18 2.529 13.712 -4.292 21 HD12 ILE 18 HD12 ILE 18 0.777 13.661 -4.089 22 HD13 ILE 18 HD13 ILE 18 1.694 12.161 -4.233 23 H ASN 19 HN ASN 19 1.200 13.484 0.578 24 HA ASN 19 HA ASN 19 0.544 10.999 1.987 25 HB2 ASN 19 HB2 ASN 19 -0.596 13.788 2.256 26 HB3 ASN 19 HB1 ASN 19 -1.130 12.397 3.194 27 HD21 ASN 19 HD21 ASN 19 1.433 14.672 2.634 28 HD22 ASN 19 HD22 ASN 19 2.329 14.318 4.077 29 H LEU 20 HN LEU 20 -0.524 9.637 0.736 30 HA LEU 20 HA LEU 20 -2.702 10.662 -0.956 31 HB2 LEU 20 HB2 LEU 20 -1.350 7.960 -1.041 32 HB3 LEU 20 HB1 LEU 20 -2.531 8.569 -2.188 33 HG LEU 20 HG LEU 20 0.210 9.771 -1.763 34 HD11 LEU 20 HD11 LEU 20 0.751 8.751 -3.942 35 HD12 LEU 20 HD12 LEU 20 -0.791 7.896 -3.901 36 HD13 LEU 20 HD13 LEU 20 0.440 7.551 -2.685 37 HD21 LEU 20 HD21 LEU 20 -1.953 10.269 -3.808 38 HD22 LEU 20 HD22 LEU 20 -0.307 10.893 -3.920 39 HD23 LEU 20 HD23 LEU 20 -1.352 11.397 -2.593 40 H LYS 21 HN LYS 21 -4.766 10.203 -0.421 41 HA LYS 21 HA LYS 21 -5.181 8.427 1.876 42 HB2 LYS 21 HB2 LYS 21 -7.074 10.443 0.650 43 HB3 LYS 21 HB1 LYS 21 -7.343 9.531 2.129 44 HG2 LYS 21 HG2 LYS 21 -5.522 10.666 3.218 45 HG3 LYS 21 HG1 LYS 21 -5.111 11.504 1.721 46 HD2 LYS 21 HD2 LYS 21 -7.347 12.573 1.757 47 HD3 LYS 21 HD1 LYS 21 -7.656 11.801 3.316 48 HE2 LYS 21 HE2 LYS 21 -5.790 12.994 4.304 49 HE3 LYS 21 HE1 LYS 21 -5.383 13.702 2.742 50 HZ1 LYS 21 HZ1 LYS 21 -7.769 14.625 2.846 51 HZ2 LYS 21 HZ2 LYS 21 -6.570 15.370 3.786 52 HZ3 LYS 21 HZ3 LYS 21 -7.670 14.299 4.504 53 H VAL 22 HN VAL 22 -5.813 6.441 1.484 54 HA VAL 22 HA VAL 22 -7.110 5.770 -1.043 55 HB VAL 22 HB VAL 22 -6.298 3.900 1.196 56 HG11 VAL 22 HG11 VAL 22 -7.926 3.015 -0.434 57 HG12 VAL 22 HG12 VAL 22 -6.378 2.171 -0.487 58 HG13 VAL 22 HG13 VAL 22 -6.778 3.356 -1.728 59 HG21 VAL 22 HG21 VAL 22 -4.361 5.185 0.390 60 HG22 VAL 22 HG22 VAL 22 -4.716 4.663 -1.257 61 HG23 VAL 22 HG23 VAL 22 -4.249 3.478 -0.037 62 H ALA 23 HN ALA 23 -9.226 5.154 -1.214 63 HA ALA 23 HA ALA 23 -10.757 4.796 1.262 64 HB1 ALA 23 HB1 ALA 23 -11.540 6.669 -0.969 65 HB2 ALA 23 HB2 ALA 23 -11.047 7.127 0.661 66 HB3 ALA 23 HB3 ALA 23 -12.551 6.243 0.411 67 H GLY 24 HN GLY 24 -11.860 2.973 1.162 68 HA2 GLY 24 HA2 GLY 24 -12.273 1.656 -1.384 69 HA3 GLY 24 HA1 GLY 24 -12.618 0.991 0.206 70 H GLN 25 HN GLN 25 -14.691 0.338 -0.033 71 HA GLN 25 HA GLN 25 -16.637 2.353 -0.947 72 HB2 GLN 25 HB2 GLN 25 -16.966 -0.654 -0.918 73 HB3 GLN 25 HB1 GLN 25 -18.093 0.514 -1.591 74 HG2 GLN 25 HG2 GLN 25 -15.278 0.139 -2.585 75 HG3 GLN 25 HG1 GLN 25 -16.682 -0.681 -3.267 76 HE21 GLN 25 HE21 GLN 25 -14.731 1.382 -4.289 77 HE22 GLN 25 HE22 GLN 25 -15.742 2.629 -4.945 78 H ASP 26 HN ASP 26 -15.421 1.423 1.817 79 HA ASP 26 HA ASP 26 -17.997 1.074 3.192 80 HB2 ASP 26 HB2 ASP 26 -16.354 0.462 5.165 81 HB3 ASP 26 HB1 ASP 26 -16.769 -0.724 3.934 82 H GLY 27 HN GLY 27 -14.825 2.551 3.914 83 HA2 GLY 27 HA2 GLY 27 -15.381 5.156 4.120 84 HA3 GLY 27 HA1 GLY 27 -16.157 4.541 5.573 85 H SER 28 HN SER 28 -13.743 2.457 5.257 86 HA SER 28 HA SER 28 -12.153 3.703 7.286 87 HB2 SER 28 HB2 SER 28 -11.262 1.305 5.711 88 HB3 SER 28 HB1 SER 28 -11.024 1.664 7.422 89 HG SER 28 HG SER 28 -13.390 1.443 7.577 90 H VAL 29 HN VAL 29 -11.122 5.522 6.585 91 HA VAL 29 HA VAL 29 -9.784 5.619 4.042 92 HB VAL 29 HB VAL 29 -10.872 7.621 4.943 93 HG11 VAL 29 HG11 VAL 29 -10.402 7.187 7.334 94 HG12 VAL 29 HG12 VAL 29 -9.996 8.829 6.835 95 HG13 VAL 29 HG13 VAL 29 -8.719 7.634 7.054 96 HG21 VAL 29 HG21 VAL 29 -9.027 9.222 4.575 97 HG22 VAL 29 HG22 VAL 29 -9.080 7.947 3.356 98 HG23 VAL 29 HG23 VAL 29 -7.881 7.883 4.651 99 H VAL 30 HN VAL 30 -7.703 5.266 3.606 100 HA VAL 30 HA VAL 30 -5.879 4.839 5.882 101 HB VAL 30 HB VAL 30 -5.881 3.379 3.230 102 HG11 VAL 30 HG11 VAL 30 -4.044 2.049 4.191 103 HG12 VAL 30 HG12 VAL 30 -4.024 3.121 5.591 104 HG13 VAL 30 HG13 VAL 30 -3.611 3.748 3.997 105 HG21 VAL 30 HG21 VAL 30 -6.414 1.404 4.532 106 HG22 VAL 30 HG22 VAL 30 -7.639 2.647 4.786 107 HG23 VAL 30 HG23 VAL 30 -6.410 2.355 6.017 108 H GLN 31 HN GLN 31 -4.237 6.186 5.958 109 HA GLN 31 HA GLN 31 -3.664 7.872 3.652 110 HB2 GLN 31 HB2 GLN 31 -4.030 8.847 5.927 111 HB3 GLN 31 HB1 GLN 31 -2.561 8.043 6.460 112 HG2 GLN 31 HG2 GLN 31 -1.209 9.375 5.044 113 HG3 GLN 31 HG1 GLN 31 -2.616 10.007 4.185 114 HE21 GLN 31 HE21 GLN 31 -0.489 11.430 5.603 115 HE22 GLN 31 HE22 GLN 31 -1.285 12.386 6.803 116 H PHE 32 HN PHE 32 -2.150 7.263 2.291 117 HA PHE 32 HA PHE 32 -0.058 5.422 3.173 118 HB2 PHE 32 HB2 PHE 32 -1.413 5.980 0.641 119 HB3 PHE 32 HB1 PHE 32 0.333 5.830 0.475 120 HD1 PHE 32 HD1 PHE 32 -2.701 4.101 1.663 121 HD2 PHE 32 HD2 PHE 32 1.392 3.735 0.574 122 HE1 PHE 32 HE1 PHE 32 -2.915 1.648 1.700 123 HE2 PHE 32 HE2 PHE 32 1.188 1.287 0.608 124 HZ PHE 32 HZ PHE 32 -0.966 0.238 1.172 125 H LYS 33 HN LYS 33 1.871 6.103 3.650 126 HA LYS 33 HA LYS 33 2.737 8.780 2.796 127 HB2 LYS 33 HB2 LYS 33 2.766 8.454 5.209 128 HB3 LYS 33 HB1 LYS 33 3.702 6.978 5.030 129 HG2 LYS 33 HG2 LYS 33 5.575 8.303 4.139 130 HG3 LYS 33 HG1 LYS 33 4.633 9.773 4.402 131 HD2 LYS 33 HD2 LYS 33 4.616 9.411 6.768 132 HD3 LYS 33 HD1 LYS 33 5.330 7.812 6.583 133 HE2 LYS 33 HE2 LYS 33 7.385 8.787 5.761 134 HE3 LYS 33 HE1 LYS 33 6.675 10.398 5.820 135 HZ1 LYS 33 HZ1 LYS 33 8.108 9.927 7.731 136 HZ2 LYS 33 HZ2 LYS 33 7.096 8.647 8.177 137 HZ3 LYS 33 HZ3 LYS 33 6.511 10.232 8.201 138 H ILE 34 HN ILE 34 3.615 8.490 0.826 139 HA ILE 34 HA ILE 34 5.944 6.716 0.660 140 HB ILE 34 HB ILE 34 5.171 5.420 -1.012 141 HG12 ILE 34 HG12 ILE 34 3.729 7.810 -2.184 142 HG13 ILE 34 HG11 ILE 34 5.304 7.193 -2.675 143 HG21 ILE 34 HG21 ILE 34 3.298 5.331 0.586 144 HG22 ILE 34 HG22 ILE 34 2.785 5.016 -1.071 145 HG23 ILE 34 HG23 ILE 34 2.473 6.587 -0.333 146 HD11 ILE 34 HD11 ILE 34 2.706 5.700 -2.917 147 HD12 ILE 34 HD12 ILE 34 4.287 5.149 -3.469 148 HD13 ILE 34 HD13 ILE 34 3.528 6.549 -4.224 149 H LYS 35 HN LYS 35 7.445 7.367 -1.077 150 HA LYS 35 HA LYS 35 7.504 10.227 -1.371 151 HB2 LYS 35 HB2 LYS 35 9.356 8.004 -2.182 152 HB3 LYS 35 HB1 LYS 35 9.610 9.647 -2.750 153 HG2 LYS 35 HG2 LYS 35 10.054 10.451 -0.612 154 HG3 LYS 35 HG1 LYS 35 9.305 9.055 0.164 155 HD2 LYS 35 HD2 LYS 35 11.118 7.633 -0.613 156 HD3 LYS 35 HD1 LYS 35 11.858 9.005 -1.442 157 HE2 LYS 35 HE2 LYS 35 12.723 9.839 0.464 158 HE3 LYS 35 HE1 LYS 35 11.286 9.447 1.404 159 HZ1 LYS 35 HZ1 LYS 35 13.303 7.439 0.568 160 HZ2 LYS 35 HZ2 LYS 35 12.021 7.206 1.651 161 HZ3 LYS 35 HZ3 LYS 35 13.321 8.213 2.071 162 H ARG 36 HN ARG 36 7.887 11.246 -3.532 163 HA ARG 36 HA ARG 36 5.748 10.501 -5.267 164 HB2 ARG 36 HB2 ARG 36 7.900 12.596 -5.523 165 HB3 ARG 36 HB1 ARG 36 6.615 12.381 -6.702 166 HG2 ARG 36 HG2 ARG 36 4.945 12.852 -4.992 167 HG3 ARG 36 HG1 ARG 36 6.223 13.022 -3.787 168 HD2 ARG 36 HD2 ARG 36 5.684 15.224 -4.408 169 HD3 ARG 36 HD1 ARG 36 7.164 14.858 -5.286 170 HE ARG 36 HE ARG 36 5.854 14.604 -7.284 171 HH11 ARG 36 HH11 ARG 36 4.161 16.046 -4.568 172 HH12 ARG 36 HH12 ARG 36 2.943 16.787 -5.558 173 HH21 ARG 36 HH21 ARG 36 4.223 15.571 -8.574 174 HH22 ARG 36 HH22 ARG 36 2.969 16.510 -7.814 175 H HIS 37 HN HIS 37 8.997 9.524 -5.089 176 HA HIS 37 HA HIS 37 9.051 8.699 -7.898 177 HB2 HIS 37 HB2 HIS 37 11.375 8.402 -7.693 178 HB3 HIS 37 HB1 HIS 37 11.048 9.822 -6.711 179 HD2 HIS 37 HD2 HIS 37 11.349 9.453 -3.935 180 HE1 HIS 37 HE1 HIS 37 13.254 5.696 -4.325 181 HE2 HIS 37 HE2 HIS 37 12.675 7.571 -2.728 182 H THR 38 HN THR 38 7.964 7.539 -5.027 183 HA THR 38 HA THR 38 8.829 4.806 -5.255 184 HB THR 38 HB THR 38 6.699 6.016 -3.488 185 HG1 THR 38 HG1 THR 38 8.560 5.791 -1.934 186 HG21 THR 38 HG21 THR 38 8.204 3.408 -3.302 187 HG22 THR 38 HG22 THR 38 6.487 3.603 -3.650 188 HG23 THR 38 HG23 THR 38 7.125 4.049 -2.069 189 HA PRO 39 HA PRO 39 5.788 3.661 -8.324 190 HB2 PRO 39 HB2 PRO 39 6.352 0.966 -7.196 191 HB3 PRO 39 HB1 PRO 39 6.409 1.518 -8.876 192 HG2 PRO 39 HG2 PRO 39 8.654 1.089 -7.537 193 HG3 PRO 39 HG1 PRO 39 8.505 2.465 -8.650 194 HD2 PRO 39 HD2 PRO 39 8.409 2.434 -5.671 195 HD3 PRO 39 HD1 PRO 39 9.128 3.628 -6.770 196 H LEU 40 HN LEU 40 3.654 3.381 -8.297 197 HA LEU 40 HA LEU 40 2.279 3.221 -5.789 198 HB2 LEU 40 HB2 LEU 40 1.247 3.199 -8.625 199 HB3 LEU 40 HB1 LEU 40 0.234 3.317 -7.198 200 HG LEU 40 HG LEU 40 2.380 5.337 -7.804 201 HD11 LEU 40 HD11 LEU 40 0.898 5.329 -9.701 202 HD12 LEU 40 HD12 LEU 40 0.584 6.754 -8.712 203 HD13 LEU 40 HD13 LEU 40 -0.512 5.374 -8.644 204 HD21 LEU 40 HD21 LEU 40 -0.086 5.394 -6.068 205 HD22 LEU 40 HD22 LEU 40 1.005 6.752 -6.339 206 HD23 LEU 40 HD23 LEU 40 1.585 5.306 -5.512 207 H SER 41 HN SER 41 3.559 0.906 -7.806 208 HA SER 41 HA SER 41 1.663 -1.127 -7.846 209 HB2 SER 41 HB2 SER 41 4.323 -2.175 -7.507 210 HB3 SER 41 HB1 SER 41 3.325 -2.131 -8.963 211 HG SER 41 HG SER 41 5.137 -0.921 -9.383 212 H LYS 42 HN LYS 42 4.219 -0.444 -5.456 213 HA LYS 42 HA LYS 42 3.519 -2.598 -3.747 214 HB2 LYS 42 HB2 LYS 42 4.709 -0.632 -2.133 215 HB3 LYS 42 HB1 LYS 42 5.484 -2.032 -2.851 216 HG2 LYS 42 HG2 LYS 42 6.273 -0.784 -4.688 217 HG3 LYS 42 HG1 LYS 42 5.214 0.577 -4.318 218 HD2 LYS 42 HD2 LYS 42 7.590 0.963 -3.695 219 HD3 LYS 42 HD1 LYS 42 6.476 1.098 -2.327 220 HE2 LYS 42 HE2 LYS 42 8.434 -0.131 -1.647 221 HE3 LYS 42 HE1 LYS 42 7.059 -1.229 -1.693 222 HZ1 LYS 42 HZ1 LYS 42 9.273 -1.014 -3.658 223 HZ2 LYS 42 HZ2 LYS 42 7.856 -1.892 -3.960 224 HZ3 LYS 42 HZ3 LYS 42 8.869 -2.341 -2.683 225 H LEU 43 HN LEU 43 2.353 0.646 -4.121 226 HA LEU 43 HA LEU 43 1.070 0.943 -1.617 227 HB2 LEU 43 HB2 LEU 43 1.495 2.860 -3.009 228 HB3 LEU 43 HB1 LEU 43 0.562 2.176 -4.323 229 HG LEU 43 HG LEU 43 -0.940 2.592 -1.824 230 HD11 LEU 43 HD11 LEU 43 0.484 4.560 -1.764 231 HD12 LEU 43 HD12 LEU 43 -1.168 5.001 -2.194 232 HD13 LEU 43 HD13 LEU 43 0.077 4.924 -3.442 233 HD21 LEU 43 HD21 LEU 43 -1.449 3.337 -4.706 234 HD22 LEU 43 HD22 LEU 43 -2.619 3.402 -3.389 235 HD23 LEU 43 HD23 LEU 43 -1.978 1.848 -3.920 236 H MET 44 HN MET 44 0.026 -0.367 -4.719 237 HA MET 44 HA MET 44 -2.655 -0.850 -3.868 238 HB2 MET 44 HB2 MET 44 -1.050 -1.903 -6.198 239 HB3 MET 44 HB1 MET 44 -2.743 -2.292 -5.940 240 HG2 MET 44 HG2 MET 44 -3.281 0.109 -6.050 241 HG3 MET 44 HG1 MET 44 -1.589 0.449 -6.397 242 HE1 MET 44 HE1 MET 44 -1.048 -0.930 -9.939 243 HE2 MET 44 HE2 MET 44 -0.613 -1.694 -8.409 244 HE3 MET 44 HE3 MET 44 -0.414 0.047 -8.618 245 H LYS 45 HN LYS 45 0.296 -2.753 -3.996 246 HA LYS 45 HA LYS 45 -0.923 -5.224 -3.301 247 HB2 LYS 45 HB2 LYS 45 1.761 -4.242 -3.849 248 HB3 LYS 45 HB1 LYS 45 1.733 -5.431 -2.555 249 HG2 LYS 45 HG2 LYS 45 0.632 -7.032 -3.974 250 HG3 LYS 45 HG1 LYS 45 0.503 -5.843 -5.270 251 HD2 LYS 45 HD2 LYS 45 3.139 -6.717 -4.111 252 HD3 LYS 45 HD1 LYS 45 2.369 -7.541 -5.471 253 HE2 LYS 45 HE2 LYS 45 2.243 -5.120 -6.468 254 HE3 LYS 45 HE1 LYS 45 3.551 -4.800 -5.327 255 HZ1 LYS 45 HZ1 LYS 45 3.568 -6.950 -7.375 256 HZ2 LYS 45 HZ2 LYS 45 4.839 -6.554 -6.333 257 HZ3 LYS 45 HZ3 LYS 45 4.354 -5.463 -7.529 258 H ALA 46 HN ALA 46 0.863 -2.790 -1.414 259 HA ALA 46 HA ALA 46 1.021 -4.124 1.008 260 HB1 ALA 46 HB1 ALA 46 2.198 -2.055 0.614 261 HB2 ALA 46 HB2 ALA 46 1.180 -1.893 2.045 262 HB3 ALA 46 HB3 ALA 46 0.674 -1.171 0.518 263 H TYR 47 HN TYR 47 -1.553 -1.838 0.017 264 HA TYR 47 HA TYR 47 -3.096 -2.211 2.342 265 HB2 TYR 47 HB2 TYR 47 -3.345 -0.296 0.758 266 HB3 TYR 47 HB1 TYR 47 -4.121 -1.393 -0.381 267 HD1 TYR 47 HD1 TYR 47 -6.322 -0.587 -0.506 268 HD2 TYR 47 HD2 TYR 47 -4.552 -1.219 3.316 269 HE1 TYR 47 HE1 TYR 47 -8.498 -0.181 0.567 270 HE2 TYR 47 HE2 TYR 47 -6.723 -0.817 4.395 271 HH TYR 47 HH TYR 47 -9.665 -0.534 2.566 272 H CYS 48 HN CYS 48 -3.134 -3.812 -0.796 273 HA CYS 48 HA CYS 48 -5.447 -5.348 -0.418 274 HB2 CYS 48 HB2 CYS 48 -4.228 -5.022 -2.585 275 HB3 CYS 48 HB1 CYS 48 -2.998 -6.140 -2.006 276 HG CYS 48 HG CYS 48 -4.319 -8.372 -2.351 277 H GLU 49 HN GLU 49 -2.050 -5.995 0.351 278 HA GLU 49 HA GLU 49 -2.399 -8.630 1.299 279 HB2 GLU 49 HB2 GLU 49 -0.323 -6.515 1.867 280 HB3 GLU 49 HB1 GLU 49 -0.249 -8.116 2.588 281 HG2 GLU 49 HG2 GLU 49 -0.197 -7.494 -0.357 282 HG3 GLU 49 HG1 GLU 49 1.177 -7.976 0.638 283 H ARG 50 HN ARG 50 -2.663 -5.480 2.821 284 HA ARG 50 HA ARG 50 -2.889 -6.378 5.494 285 HB2 ARG 50 HB2 ARG 50 -2.779 -3.918 4.214 286 HB3 ARG 50 HB1 ARG 50 -4.395 -3.954 4.906 287 HG2 ARG 50 HG2 ARG 50 -3.329 -4.559 7.098 288 HG3 ARG 50 HG1 ARG 50 -1.771 -4.215 6.345 289 HD2 ARG 50 HD2 ARG 50 -2.662 -1.951 5.757 290 HD3 ARG 50 HD1 ARG 50 -4.067 -2.308 6.753 291 HE ARG 50 HE ARG 50 -1.330 -1.838 7.675 292 HH11 ARG 50 HH11 ARG 50 -4.510 -2.100 10.121 293 HH12 ARG 50 HH12 ARG 50 -4.681 -2.532 8.447 294 HH21 ARG 50 HH21 ARG 50 -1.117 -1.248 9.861 295 HH22 ARG 50 HH22 ARG 50 -2.485 -1.374 10.924 296 H GLN 51 HN GLN 51 -5.172 -6.054 2.876 297 HA GLN 51 HA GLN 51 -7.471 -6.468 4.582 298 HB2 GLN 51 HB2 GLN 51 -7.241 -6.435 1.566 299 HB3 GLN 51 HB1 GLN 51 -8.752 -6.480 2.466 300 HG2 GLN 51 HG2 GLN 51 -6.734 -4.253 2.376 301 HG3 GLN 51 HG1 GLN 51 -8.374 -4.246 1.733 302 HE21 GLN 51 HE21 GLN 51 -10.107 -4.023 3.143 303 HE22 GLN 51 HE22 GLN 51 -9.907 -3.490 4.775 304 H GLY 52 HN GLY 52 -5.201 -8.369 2.887 305 HA2 GLY 52 HA2 GLY 52 -4.912 -10.666 2.930 306 HA3 GLY 52 HA1 GLY 52 -6.404 -10.800 3.849 307 H LEU 53 HN LEU 53 -5.855 -9.341 0.676 308 HA LEU 53 HA LEU 53 -7.517 -11.445 -0.527 309 HB2 LEU 53 HB2 LEU 53 -7.773 -8.483 -1.067 310 HB3 LEU 53 HB1 LEU 53 -8.667 -9.748 -1.886 311 HG LEU 53 HG LEU 53 -8.887 -9.203 1.072 312 HD11 LEU 53 HD11 LEU 53 -9.653 -7.255 -0.143 313 HD12 LEU 53 HD12 LEU 53 -11.031 -8.131 0.518 314 HD13 LEU 53 HD13 LEU 53 -10.641 -8.266 -1.195 315 HD21 LEU 53 HD21 LEU 53 -9.498 -11.468 0.378 316 HD22 LEU 53 HD22 LEU 53 -10.611 -10.804 -0.818 317 HD23 LEU 53 HD23 LEU 53 -10.909 -10.552 0.901 318 H SER 54 HN SER 54 -7.453 -11.052 -3.053 319 HA SER 54 HA SER 54 -4.622 -10.919 -3.757 320 HB2 SER 54 HB2 SER 54 -5.769 -12.921 -4.518 321 HB3 SER 54 HB1 SER 54 -7.039 -11.957 -5.265 322 HG SER 54 HG SER 54 -4.781 -12.788 -6.356 323 H MET 55 HN MET 55 -3.816 -9.444 -5.233 324 HA MET 55 HA MET 55 -5.202 -6.988 -5.465 325 HB2 MET 55 HB2 MET 55 -2.652 -7.433 -5.479 326 HB3 MET 55 HB1 MET 55 -2.863 -7.725 -7.201 327 HG2 MET 55 HG2 MET 55 -3.641 -5.504 -7.561 328 HG3 MET 55 HG1 MET 55 -3.732 -5.193 -5.829 329 HE1 MET 55 HE1 MET 55 0.189 -5.619 -8.222 330 HE2 MET 55 HE2 MET 55 -1.416 -5.578 -8.955 331 HE3 MET 55 HE3 MET 55 -0.927 -6.963 -7.975 332 H ARG 56 HN ARG 56 -5.354 -9.847 -7.243 333 HA ARG 56 HA ARG 56 -6.190 -8.627 -9.734 334 HB2 ARG 56 HB2 ARG 56 -4.914 -10.842 -9.479 335 HB3 ARG 56 HB1 ARG 56 -6.448 -11.534 -8.976 336 HG2 ARG 56 HG2 ARG 56 -7.435 -11.024 -11.101 337 HG3 ARG 56 HG1 ARG 56 -5.989 -10.149 -11.605 338 HD2 ARG 56 HD2 ARG 56 -4.692 -12.202 -11.497 339 HD3 ARG 56 HD1 ARG 56 -6.109 -13.087 -10.938 340 HE ARG 56 HE ARG 56 -6.454 -11.742 -13.470 341 HH11 ARG 56 HH11 ARG 56 -5.453 -14.679 -11.863 342 HH12 ARG 56 HH12 ARG 56 -5.712 -15.682 -13.255 343 HH21 ARG 56 HH21 ARG 56 -6.774 -13.049 -15.310 344 HH22 ARG 56 HH22 ARG 56 -6.451 -14.756 -15.224 345 H GLN 57 HN GLN 57 -7.557 -9.555 -6.773 346 HA GLN 57 HA GLN 57 -10.233 -10.035 -7.763 347 HB2 GLN 57 HB2 GLN 57 -9.385 -11.236 -5.791 348 HB3 GLN 57 HB1 GLN 57 -9.192 -9.711 -4.940 349 HG2 GLN 57 HG2 GLN 57 -11.705 -9.402 -5.317 350 HG3 GLN 57 HG1 GLN 57 -11.717 -11.120 -5.716 351 HE21 GLN 57 HE21 GLN 57 -12.926 -9.617 -3.497 352 HE22 GLN 57 HE22 GLN 57 -12.354 -10.390 -2.056 353 H ILE 58 HN ILE 58 -8.368 -7.360 -6.643 354 HA ILE 58 HA ILE 58 -10.809 -5.726 -6.525 355 HB ILE 58 HB ILE 58 -9.388 -4.093 -5.219 356 HG12 ILE 58 HG12 ILE 58 -7.584 -6.510 -4.939 357 HG13 ILE 58 HG11 ILE 58 -7.194 -5.053 -5.848 358 HG21 ILE 58 HG21 ILE 58 -9.952 -6.797 -4.011 359 HG22 ILE 58 HG22 ILE 58 -11.080 -5.449 -4.148 360 HG23 ILE 58 HG23 ILE 58 -9.668 -5.312 -3.102 361 HD11 ILE 58 HD11 ILE 58 -7.690 -5.190 -2.884 362 HD12 ILE 58 HD12 ILE 58 -7.269 -3.744 -3.798 363 HD13 ILE 58 HD13 ILE 58 -6.116 -5.072 -3.667 364 H ARG 59 HN ARG 59 -10.265 -3.330 -6.973 365 HA ARG 59 HA ARG 59 -8.358 -3.038 -9.185 366 HB2 ARG 59 HB2 ARG 59 -11.294 -2.320 -9.274 367 HB3 ARG 59 HB1 ARG 59 -10.115 -1.681 -10.409 368 HG2 ARG 59 HG2 ARG 59 -10.838 -4.577 -10.037 369 HG3 ARG 59 HG1 ARG 59 -11.336 -3.536 -11.370 370 HD2 ARG 59 HD2 ARG 59 -8.905 -3.211 -11.889 371 HD3 ARG 59 HD1 ARG 59 -8.551 -4.461 -10.700 372 HE ARG 59 HE ARG 59 -9.698 -4.817 -13.333 373 HH11 ARG 59 HH11 ARG 59 -9.078 -6.236 -10.196 374 HH12 ARG 59 HH12 ARG 59 -9.243 -7.871 -10.761 375 HH21 ARG 59 HH21 ARG 59 -9.917 -6.944 -14.088 376 HH22 ARG 59 HH22 ARG 59 -9.723 -8.273 -12.990 377 H PHE 60 HN PHE 60 -7.624 -0.891 -9.482 378 HA PHE 60 HA PHE 60 -8.400 0.994 -7.360 379 HB2 PHE 60 HB2 PHE 60 -5.629 0.375 -8.397 380 HB3 PHE 60 HB1 PHE 60 -6.003 1.796 -7.432 381 HD1 PHE 60 HD1 PHE 60 -5.752 -1.868 -7.414 382 HD2 PHE 60 HD2 PHE 60 -6.351 1.641 -5.081 383 HE1 PHE 60 HE1 PHE 60 -5.395 -3.176 -5.361 384 HE2 PHE 60 HE2 PHE 60 -5.997 0.338 -3.025 385 HZ PHE 60 HZ PHE 60 -5.517 -2.076 -3.162 386 H ARG 61 HN ARG 61 -8.680 3.109 -7.983 387 HA ARG 61 HA ARG 61 -8.041 3.768 -10.776 388 HB2 ARG 61 HB2 ARG 61 -10.714 3.892 -9.447 389 HB3 ARG 61 HB1 ARG 61 -10.310 5.081 -10.677 390 HG2 ARG 61 HG2 ARG 61 -9.745 3.147 -12.189 391 HG3 ARG 61 HG1 ARG 61 -10.492 2.100 -10.980 392 HD2 ARG 61 HD2 ARG 61 -12.586 3.353 -11.206 393 HD3 ARG 61 HD1 ARG 61 -11.830 4.396 -12.410 394 HE ARG 61 HE ARG 61 -11.817 1.546 -12.980 395 HH11 ARG 61 HH11 ARG 61 -14.190 4.139 -14.933 396 HH12 ARG 61 HH12 ARG 61 -13.386 4.642 -13.481 397 HH21 ARG 61 HH21 ARG 61 -12.886 0.877 -14.892 398 HH22 ARG 61 HH22 ARG 61 -13.912 1.999 -15.732 399 H PHE 62 HN PHE 62 -7.752 5.922 -11.250 400 HA PHE 62 HA PHE 62 -7.752 7.853 -9.058 401 HB2 PHE 62 HB2 PHE 62 -5.465 7.137 -9.006 402 HB3 PHE 62 HB1 PHE 62 -5.356 7.144 -10.765 403 HD1 PHE 62 HD1 PHE 62 -5.989 9.444 -7.898 404 HD2 PHE 62 HD2 PHE 62 -4.423 8.966 -11.829 405 HE1 PHE 62 HE1 PHE 62 -5.152 11.756 -7.847 406 HE2 PHE 62 HE2 PHE 62 -3.579 11.277 -11.782 407 HZ PHE 62 HZ PHE 62 -3.943 12.674 -9.788 408 H ASP 63 HN ASP 63 -8.674 9.690 -9.716 409 HA ASP 63 HA ASP 63 -9.555 11.324 -11.038 410 HB2 ASP 63 HB2 ASP 63 -7.136 11.541 -11.692 411 HB3 ASP 63 HB1 ASP 63 -7.469 10.502 -13.067 412 H GLY 64 HN GLY 64 -10.343 8.419 -11.281 413 HA2 GLY 64 HA2 GLY 64 -12.246 7.539 -12.327 414 HA3 GLY 64 HA1 GLY 64 -12.133 8.797 -13.547 415 H GLN 65 HN GLN 65 -9.099 7.576 -13.256 416 HA GLN 65 HA GLN 65 -9.563 5.670 -15.457 417 HB2 GLN 65 HB2 GLN 65 -7.015 7.180 -14.862 418 HB3 GLN 65 HB1 GLN 65 -7.359 6.203 -16.282 419 HG2 GLN 65 HG2 GLN 65 -8.679 8.802 -15.537 420 HG3 GLN 65 HG1 GLN 65 -7.482 8.559 -16.807 421 HE21 GLN 65 HE21 GLN 65 -10.125 9.644 -17.058 422 HE22 GLN 65 HE22 GLN 65 -10.985 8.619 -18.157 423 HA PRO 66 HA PRO 66 -7.920 2.460 -12.865 424 HB2 PRO 66 HB2 PRO 66 -6.805 1.229 -15.299 425 HB3 PRO 66 HB1 PRO 66 -8.033 0.605 -14.192 426 HG2 PRO 66 HG2 PRO 66 -8.681 1.421 -16.649 427 HG3 PRO 66 HG1 PRO 66 -9.763 1.679 -15.268 428 HD2 PRO 66 HD2 PRO 66 -7.934 3.623 -16.611 429 HD3 PRO 66 HD1 PRO 66 -9.592 3.857 -16.016 430 H ILE 67 HN ILE 67 -6.060 2.203 -11.767 431 HA ILE 67 HA ILE 67 -3.719 3.651 -12.628 432 HB ILE 67 HB ILE 67 -4.129 1.969 -10.150 433 HG12 ILE 67 HG12 ILE 67 -4.337 4.968 -10.502 434 HG13 ILE 67 HG11 ILE 67 -5.710 3.874 -10.356 435 HG21 ILE 67 HG21 ILE 67 -2.222 3.224 -9.243 436 HG22 ILE 67 HG22 ILE 67 -2.014 4.023 -10.802 437 HG23 ILE 67 HG23 ILE 67 -1.772 2.280 -10.663 438 HD11 ILE 67 HD11 ILE 67 -5.020 3.275 -8.118 439 HD12 ILE 67 HD12 ILE 67 -5.203 5.022 -8.259 440 HD13 ILE 67 HD13 ILE 67 -3.594 4.298 -8.263 441 H ASN 68 HN ASN 68 -1.812 2.839 -13.324 442 HA ASN 68 HA ASN 68 -1.764 0.029 -14.087 443 HB2 ASN 68 HB2 ASN 68 -0.188 2.458 -14.850 444 HB3 ASN 68 HB1 ASN 68 0.523 0.867 -15.104 445 HD21 ASN 68 HD21 ASN 68 -0.286 2.865 -17.051 446 HD22 ASN 68 HD22 ASN 68 -1.457 2.099 -18.069 447 H GLU 69 HN GLU 69 0.174 -1.281 -13.710 448 HA GLU 69 HA GLU 69 1.033 -1.032 -10.961 449 HB2 GLU 69 HB2 GLU 69 1.363 -3.132 -13.081 450 HB3 GLU 69 HB1 GLU 69 2.281 -3.210 -11.582 451 HG2 GLU 69 HG2 GLU 69 0.261 -3.307 -10.289 452 HG3 GLU 69 HG1 GLU 69 -0.721 -3.061 -11.731 453 H THR 70 HN THR 70 2.103 0.414 -13.637 454 HA THR 70 HA THR 70 4.886 0.424 -12.680 455 HB THR 70 HB THR 70 5.226 1.144 -15.244 456 HG1 THR 70 HG1 THR 70 3.758 0.288 -16.560 457 HG21 THR 70 HG21 THR 70 5.033 -1.739 -14.367 458 HG22 THR 70 HG22 THR 70 6.381 -0.669 -13.985 459 HG23 THR 70 HG23 THR 70 6.035 -1.086 -15.662 460 H ASP 71 HN ASP 71 2.632 2.150 -11.984 461 HA ASP 71 HA ASP 71 3.491 4.686 -13.194 462 HB2 ASP 71 HB2 ASP 71 0.887 3.625 -12.468 463 HB3 ASP 71 HB1 ASP 71 1.176 5.201 -11.735 464 H THR 72 HN THR 72 3.547 6.560 -11.819 465 HA THR 72 HA THR 72 4.113 6.005 -8.992 466 HB THR 72 HB THR 72 5.944 7.916 -9.449 467 HG1 THR 72 HG1 THR 72 6.023 6.347 -11.825 468 HG21 THR 72 HG21 THR 72 6.404 4.976 -9.964 469 HG22 THR 72 HG22 THR 72 6.385 5.755 -8.382 470 HG23 THR 72 HG23 THR 72 7.647 6.155 -9.549 471 HA PRO 73 HA PRO 73 1.672 9.587 -8.080 472 HB2 PRO 73 HB2 PRO 73 3.931 10.734 -6.527 473 HB3 PRO 73 HB1 PRO 73 2.280 10.369 -6.008 474 HG2 PRO 73 HG2 PRO 73 4.303 8.834 -5.234 475 HG3 PRO 73 HG1 PRO 73 2.724 8.134 -5.646 476 HD2 PRO 73 HD2 PRO 73 5.246 8.162 -7.237 477 HD3 PRO 73 HD1 PRO 73 4.019 6.888 -7.080 478 H ALA 74 HN ALA 74 5.068 10.344 -8.796 479 HA ALA 74 HA ALA 74 4.459 12.985 -9.746 480 HB1 ALA 74 HB1 ALA 74 6.835 13.063 -10.382 481 HB2 ALA 74 HB2 ALA 74 6.990 11.359 -9.953 482 HB3 ALA 74 HB3 ALA 74 6.601 12.549 -8.711 483 H GLN 75 HN GLN 75 3.948 10.008 -11.069 484 HA GLN 75 HA GLN 75 4.498 10.862 -13.816 485 HB2 GLN 75 HB2 GLN 75 5.133 8.537 -12.832 486 HB3 GLN 75 HB1 GLN 75 3.428 8.165 -13.041 487 HG2 GLN 75 HG2 GLN 75 4.680 7.371 -14.933 488 HG3 GLN 75 HG1 GLN 75 3.622 8.692 -15.427 489 HE21 GLN 75 HE21 GLN 75 4.833 9.207 -17.218 490 HE22 GLN 75 HE22 GLN 75 6.386 9.961 -17.108 491 H LEU 76 HN LEU 76 1.926 10.184 -11.576 492 HA LEU 76 HA LEU 76 -0.075 10.518 -13.692 493 HB2 LEU 76 HB2 LEU 76 -0.242 9.508 -10.862 494 HB3 LEU 76 HB1 LEU 76 -1.671 9.893 -11.802 495 HG LEU 76 HG LEU 76 0.395 7.818 -12.549 496 HD11 LEU 76 HD11 LEU 76 -0.883 7.160 -10.589 497 HD12 LEU 76 HD12 LEU 76 -1.353 6.200 -11.990 498 HD13 LEU 76 HD13 LEU 76 -2.392 7.513 -11.434 499 HD21 LEU 76 HD21 LEU 76 -2.235 8.583 -13.806 500 HD22 LEU 76 HD22 LEU 76 -1.310 7.141 -14.219 501 HD23 LEU 76 HD23 LEU 76 -0.632 8.740 -14.524 502 H GLU 77 HN GLU 77 1.672 12.553 -12.088 503 HA GLU 77 HA GLU 77 1.489 14.669 -11.291 504 HB2 GLU 77 HB2 GLU 77 -1.178 14.740 -12.693 505 HB3 GLU 77 HB1 GLU 77 -0.122 16.097 -12.337 506 HG2 GLU 77 HG2 GLU 77 0.530 13.854 -14.236 507 HG3 GLU 77 HG1 GLU 77 -0.087 15.435 -14.707 508 H MET 78 HN MET 78 0.839 12.852 -9.428 509 HA MET 78 HA MET 78 -1.694 13.605 -8.206 510 HB2 MET 78 HB2 MET 78 0.419 11.661 -7.256 511 HB3 MET 78 HB1 MET 78 -1.174 11.878 -6.546 512 HG2 MET 78 HG2 MET 78 -2.166 11.158 -8.704 513 HG3 MET 78 HG1 MET 78 -0.537 10.809 -9.280 514 HE1 MET 78 HE1 MET 78 -3.504 9.625 -6.982 515 HE2 MET 78 HE2 MET 78 -2.351 10.352 -5.866 516 HE3 MET 78 HE3 MET 78 -2.645 8.614 -5.820 517 H GLU 79 HN GLU 79 -1.886 14.713 -6.306 518 HA GLU 79 HA GLU 79 0.594 15.896 -5.251 519 HB2 GLU 79 HB2 GLU 79 -2.105 17.145 -5.712 520 HB3 GLU 79 HB1 GLU 79 -0.937 17.848 -4.606 521 HG2 GLU 79 HG2 GLU 79 -0.696 17.484 -7.572 522 HG3 GLU 79 HG1 GLU 79 -0.691 18.984 -6.651 523 H ASP 80 HN ASP 80 -0.090 17.010 -2.996 524 HA ASP 80 HA ASP 80 -0.537 14.825 -1.243 525 HB2 ASP 80 HB2 ASP 80 0.111 17.671 -0.991 526 HB3 ASP 80 HB1 ASP 80 -0.906 17.071 0.315 527 H GLU 81 HN GLU 81 -2.219 14.564 0.290 528 HA GLU 81 HA GLU 81 -4.369 14.387 0.975 529 HB2 GLU 81 HB2 GLU 81 -4.636 17.120 -0.287 530 HB3 GLU 81 HB1 GLU 81 -5.856 16.362 0.726 531 HG2 GLU 81 HG2 GLU 81 -3.492 16.241 2.202 532 HG3 GLU 81 HG1 GLU 81 -3.518 17.846 1.477 533 H ASP 82 HN ASP 82 -3.576 13.365 -1.642 534 HA ASP 82 HA ASP 82 -5.895 13.748 -3.331 535 HB2 ASP 82 HB2 ASP 82 -3.297 13.075 -3.877 536 HB3 ASP 82 HB1 ASP 82 -4.108 11.513 -3.995 537 H THR 83 HN THR 83 -6.862 11.599 -4.270 538 HA THR 83 HA THR 83 -7.329 9.722 -2.055 539 HB THR 83 HB THR 83 -9.598 10.677 -3.791 540 HG1 THR 83 HG1 THR 83 -8.294 12.050 -1.851 541 HG21 THR 83 HG21 THR 83 -9.504 9.388 -1.059 542 HG22 THR 83 HG22 THR 83 -9.914 8.572 -2.566 543 HG23 THR 83 HG23 THR 83 -10.965 9.841 -1.936 544 H ILE 84 HN ILE 84 -7.344 7.655 -2.613 545 HA ILE 84 HA ILE 84 -7.308 6.979 -5.487 546 HB ILE 84 HB ILE 84 -6.130 5.441 -3.159 547 HG12 ILE 84 HG12 ILE 84 -4.734 6.903 -5.410 548 HG13 ILE 84 HG11 ILE 84 -4.944 7.555 -3.788 549 HG21 ILE 84 HG21 ILE 84 -6.915 3.952 -4.927 550 HG22 ILE 84 HG22 ILE 84 -5.151 3.983 -4.865 551 HG23 ILE 84 HG23 ILE 84 -6.003 4.880 -6.123 552 HD11 ILE 84 HD11 ILE 84 -3.627 5.696 -2.890 553 HD12 ILE 84 HD12 ILE 84 -2.723 6.648 -4.069 554 HD13 ILE 84 HD13 ILE 84 -3.397 5.083 -4.528 555 H ASP 85 HN ASP 85 -8.857 5.681 -6.270 556 HA ASP 85 HA ASP 85 -10.961 4.822 -4.444 557 HB2 ASP 85 HB2 ASP 85 -11.015 5.933 -6.953 558 HB3 ASP 85 HB1 ASP 85 -11.311 4.230 -7.294 559 H VAL 86 HN VAL 86 -11.673 2.739 -4.209 560 HA VAL 86 HA VAL 86 -10.054 0.609 -5.441 561 HB VAL 86 HB VAL 86 -11.148 0.439 -2.630 562 HG11 VAL 86 HG11 VAL 86 -10.728 -1.690 -3.745 563 HG12 VAL 86 HG12 VAL 86 -9.591 -1.434 -2.421 564 HG13 VAL 86 HG13 VAL 86 -9.071 -1.195 -4.090 565 HG21 VAL 86 HG21 VAL 86 -8.351 1.194 -3.467 566 HG22 VAL 86 HG22 VAL 86 -8.866 0.836 -1.818 567 HG23 VAL 86 HG23 VAL 86 -9.517 2.242 -2.662 568 H PHE 87 HN PHE 87 -11.221 -0.910 -6.438 569 HA PHE 87 HA PHE 87 -14.084 -1.160 -5.771 570 HB2 PHE 87 HB2 PHE 87 -12.780 -1.229 -8.499 571 HB3 PHE 87 HB1 PHE 87 -14.438 -1.730 -8.201 572 HD1 PHE 87 HD1 PHE 87 -16.119 -0.057 -7.478 573 HD2 PHE 87 HD2 PHE 87 -12.183 1.058 -8.666 574 HE1 PHE 87 HE1 PHE 87 -16.872 2.264 -7.788 575 HE2 PHE 87 HE2 PHE 87 -12.930 3.379 -8.974 576 HZ PHE 87 HZ PHE 87 -15.278 3.984 -8.537 577 H GLN 88 HN GLN 88 -14.984 -3.285 -6.656 578 HA GLN 88 HA GLN 88 -13.042 -5.444 -6.143 579 HB2 GLN 88 HB2 GLN 88 -15.961 -5.183 -5.465 580 HB3 GLN 88 HB1 GLN 88 -15.195 -6.762 -5.564 581 HG2 GLN 88 HG2 GLN 88 -13.887 -4.698 -3.886 582 HG3 GLN 88 HG1 GLN 88 -15.384 -5.417 -3.295 583 HE21 GLN 88 HE21 GLN 88 -14.340 -6.427 -1.590 584 HE22 GLN 88 HE22 GLN 88 -13.313 -7.799 -1.820 585 H GLN 89 HN GLN 89 -12.985 -7.190 -7.513 586 HA GLN 89 HA GLN 89 -13.988 -6.757 -10.168 587 HB2 GLN 89 HB2 GLN 89 -11.800 -7.753 -9.863 588 HB3 GLN 89 HB1 GLN 89 -12.485 -9.068 -8.922 589 HG2 GLN 89 HG2 GLN 89 -11.873 -9.732 -11.208 590 HG3 GLN 89 HG1 GLN 89 -13.588 -9.957 -10.866 591 HE21 GLN 89 HE21 GLN 89 -14.026 -9.963 -13.093 592 HE22 GLN 89 HE22 GLN 89 -14.054 -8.495 -14.009 593 H GLN 90 HN GLN 90 -15.582 -7.816 -11.230 594 HA GLN 90 HA GLN 90 -17.823 -8.720 -9.842 595 HB2 GLN 90 HB2 GLN 90 -16.947 -8.926 -12.708 596 HB3 GLN 90 HB1 GLN 90 -18.446 -9.670 -12.174 597 HG2 GLN 90 HG2 GLN 90 -19.006 -7.560 -13.069 598 HG3 GLN 90 HG1 GLN 90 -19.150 -7.427 -11.320 599 HE21 GLN 90 HE21 GLN 90 -18.942 -5.207 -11.378 600 HE22 GLN 90 HE22 GLN 90 -17.432 -4.427 -11.693 601 H THR 91 HN THR 91 -18.736 -10.761 -9.536 602 HA THR 91 HA THR 91 -16.798 -12.899 -9.243 603 HB THR 91 HB THR 91 -19.035 -14.044 -8.370 604 HG1 THR 91 HG1 THR 91 -19.848 -11.711 -7.344 605 HG21 THR 91 HG21 THR 91 -18.534 -13.118 -6.125 606 HG22 THR 91 HG22 THR 91 -17.483 -11.922 -6.882 607 HG23 THR 91 HG23 THR 91 -17.085 -13.635 -6.984 608 H GLY 92 HN GLY 92 -19.539 -12.071 -11.247 609 HA2 GLY 92 HA2 GLY 92 -19.052 -13.435 -13.474 610 HA3 GLY 92 HA1 GLY 92 -19.641 -14.731 -12.442 611 H1 ASP 195 HN ASP 195 -13.313 5.647 15.843 612 HA ASP 195 HA ASP 195 -14.369 6.232 13.366 613 HB2 ASP 195 HB2 ASP 195 -13.244 8.545 14.400 614 HB3 ASP 195 HB1 ASP 195 -11.979 7.910 13.352 615 H THR 196 HN THR 196 -12.708 5.766 11.557 616 HA THR 196 HA THR 196 -10.670 3.950 12.669 617 HB THR 196 HB THR 196 -10.992 2.807 10.322 618 HG1 THR 196 HG1 THR 196 -12.597 4.501 9.752 619 HG21 THR 196 HG21 THR 196 -11.372 1.678 12.439 620 HG22 THR 196 HG22 THR 196 -12.689 1.306 11.327 621 HG23 THR 196 HG23 THR 196 -12.933 2.481 12.623 622 H ALA 197 HN ALA 197 -8.671 4.471 12.210 623 HA ALA 197 HA ALA 197 -8.112 5.968 9.742 624 HB1 ALA 197 HB1 ALA 197 -6.360 7.198 10.930 625 HB2 ALA 197 HB2 ALA 197 -6.777 6.358 12.424 626 HB3 ALA 197 HB3 ALA 197 -7.934 7.463 11.684 627 H GLY 198 HN GLY 198 -6.641 5.026 8.448 628 HA2 GLY 198 HA2 GLY 198 -4.861 3.000 9.666 629 HA3 GLY 198 HA1 GLY 198 -5.566 2.821 8.063 630 H CYS 199 HN CYS 199 -2.731 3.391 9.457 631 HA CYS 199 HA CYS 199 -1.939 5.268 7.330 632 HB2 CYS 199 HB2 CYS 199 -0.507 4.944 9.968 633 HB3 CYS 199 HB1 CYS 199 -0.273 6.209 8.767 634 HG CYS 199 HG CYS 199 -2.214 7.794 9.512 635 H ILE 200 HN ILE 200 -0.638 4.455 5.869 636 HA ILE 200 HA ILE 200 1.129 2.229 6.608 637 HB ILE 200 HB ILE 200 -0.216 2.514 3.917 638 HG12 ILE 200 HG12 ILE 200 -0.872 0.715 6.264 639 HG13 ILE 200 HG11 ILE 200 -1.910 1.953 5.564 640 HG21 ILE 200 HG21 ILE 200 0.622 0.194 3.614 641 HG22 ILE 200 HG22 ILE 200 1.486 0.347 5.142 642 HG23 ILE 200 HG23 ILE 200 1.908 1.388 3.783 643 HD11 ILE 200 HD11 ILE 200 -2.714 -0.134 4.825 644 HD12 ILE 200 HD12 ILE 200 -1.102 -0.673 4.357 645 HD13 ILE 200 HD13 ILE 200 -1.903 0.611 3.447 646 H VAL 201 HN VAL 201 3.245 2.523 6.097 647 HA VAL 201 HA VAL 201 3.879 4.689 4.203 648 HB VAL 201 HB VAL 201 4.567 5.460 6.363 649 HG11 VAL 201 HG11 VAL 201 4.561 3.320 7.544 650 HG12 VAL 201 HG12 VAL 201 6.052 4.213 7.830 651 HG13 VAL 201 HG13 VAL 201 6.044 2.855 6.710 652 HG21 VAL 201 HG21 VAL 201 6.991 5.670 6.105 653 HG22 VAL 201 HG22 VAL 201 6.146 5.917 4.577 654 HG23 VAL 201 HG23 VAL 201 6.972 4.388 4.892 655 H ILE 202 HN ILE 202 5.074 4.117 2.479 656 HA ILE 202 HA ILE 202 6.460 1.533 2.591 657 HB ILE 202 HB ILE 202 5.887 0.977 0.363 658 HG12 ILE 202 HG12 ILE 202 4.696 3.747 0.125 659 HG13 ILE 202 HG11 ILE 202 6.115 3.128 -0.716 660 HG21 ILE 202 HG21 ILE 202 4.148 0.467 1.958 661 HG22 ILE 202 HG22 ILE 202 3.435 0.885 0.400 662 HG23 ILE 202 HG23 ILE 202 3.421 2.058 1.720 663 HD11 ILE 202 HD11 ILE 202 4.543 2.996 -2.348 664 HD12 ILE 202 HD12 ILE 202 3.236 2.608 -1.226 665 HD13 ILE 202 HD13 ILE 202 4.428 1.380 -1.651 666 H SEP 203 HN SEP 203 8.546 1.560 2.043 667 HA SEP 203 HA SEP 203 9.559 3.995 0.751 668 HB2 SEP 203 HB1 SEP 203 11.736 3.422 1.980 669 HB3 SEP 203 HB2 SEP 203 10.762 2.322 2.953 670 H ASP 204 HN ASP 204 10.638 3.735 -1.098 671 HA ASP 204 HA ASP 204 11.509 1.011 -1.763 672 HB2 ASP 204 HB2 ASP 204 9.483 1.814 -3.031 673 HB3 ASP 204 HB1 ASP 204 10.514 3.035 -3.770 674 H SEP 205 HN SEP 205 13.583 0.783 -2.268 675 HA SEP 205 HA SEP 205 15.095 3.199 -2.970 676 HB2 SEP 205 HB1 SEP 205 16.063 2.723 -0.954 677 HB3 SEP 205 HB2 SEP 205 17.031 1.641 -1.955 678 H GLU 206 HN GLU 206 16.214 3.167 -4.816 679 HA GLU 206 HA GLU 206 16.184 0.702 -6.389 680 HB2 GLU 206 HB2 GLU 206 15.347 2.756 -7.436 681 HB3 GLU 206 HB1 GLU 206 16.897 3.538 -7.154 682 HG2 GLU 206 HG2 GLU 206 16.730 2.850 -9.447 683 HG3 GLU 206 HG1 GLU 206 17.973 1.906 -8.632 Start of MODEL 14 1 H1 ASP 16 HN ASP 16 10.973 14.228 -0.613 2 HA ASP 16 HA ASP 16 10.782 14.810 1.985 3 HB2 ASP 16 HB2 ASP 16 9.973 17.124 0.890 4 HB3 ASP 16 HB1 ASP 16 8.420 16.298 0.937 5 H HIS 17 HN HIS 17 8.151 14.511 2.704 6 HA HIS 17 HA HIS 17 7.418 12.043 1.260 7 HB2 HIS 17 HB2 HIS 17 7.450 12.753 4.141 8 HB3 HIS 17 HB1 HIS 17 6.116 11.748 3.592 9 HD2 HIS 17 HD2 HIS 17 7.427 9.548 1.813 10 HE1 HIS 17 HE1 HIS 17 10.332 9.146 4.863 11 HE2 HIS 17 HE2 HIS 17 9.295 8.039 2.836 12 H ILE 18 HN ILE 18 5.466 11.885 0.380 13 HA ILE 18 HA ILE 18 3.558 14.070 0.877 14 HB ILE 18 HB ILE 18 4.248 14.124 -1.404 15 HG12 ILE 18 HG12 ILE 18 1.602 12.665 -1.398 16 HG13 ILE 18 HG11 ILE 18 1.793 14.357 -0.950 17 HG21 ILE 18 HG21 ILE 18 4.102 12.202 -2.913 18 HG22 ILE 18 HG22 ILE 18 3.621 11.182 -1.557 19 HG23 ILE 18 HG23 ILE 18 5.223 11.917 -1.582 20 HD11 ILE 18 HD11 ILE 18 2.528 14.913 -3.165 21 HD12 ILE 18 HD12 ILE 18 1.017 14.012 -3.272 22 HD13 ILE 18 HD13 ILE 18 2.547 13.213 -3.627 23 H ASN 19 HN ASN 19 1.401 13.557 1.320 24 HA ASN 19 HA ASN 19 0.984 10.737 2.062 25 HB2 ASN 19 HB2 ASN 19 -0.114 13.296 3.221 26 HB3 ASN 19 HB1 ASN 19 -0.843 11.729 3.560 27 HD21 ASN 19 HD21 ASN 19 1.880 13.797 4.079 28 HD22 ASN 19 HD22 ASN 19 2.628 12.854 5.319 29 H LEU 20 HN LEU 20 -0.715 9.626 1.333 30 HA LEU 20 HA LEU 20 -2.621 11.015 -0.437 31 HB2 LEU 20 HB2 LEU 20 -1.603 8.186 -0.699 32 HB3 LEU 20 HB1 LEU 20 -2.722 8.985 -1.782 33 HG LEU 20 HG LEU 20 0.126 9.882 -1.364 34 HD11 LEU 20 HD11 LEU 20 0.383 8.885 -3.703 35 HD12 LEU 20 HD12 LEU 20 -1.081 7.978 -3.338 36 HD13 LEU 20 HD13 LEU 20 0.356 7.773 -2.337 37 HD21 LEU 20 HD21 LEU 20 -2.007 10.626 -3.356 38 HD22 LEU 20 HD22 LEU 20 -0.307 11.050 -3.532 39 HD23 LEU 20 HD23 LEU 20 -1.231 11.669 -2.164 40 H LYS 21 HN LYS 21 -4.726 9.809 -0.649 41 HA LYS 21 HA LYS 21 -5.385 8.436 1.877 42 HB2 LYS 21 HB2 LYS 21 -6.943 10.502 0.340 43 HB3 LYS 21 HB1 LYS 21 -7.719 9.428 1.495 44 HG2 LYS 21 HG2 LYS 21 -6.492 10.326 3.300 45 HG3 LYS 21 HG1 LYS 21 -5.392 11.182 2.218 46 HD2 LYS 21 HD2 LYS 21 -7.086 12.712 1.570 47 HD3 LYS 21 HD1 LYS 21 -8.348 11.738 2.328 48 HE2 LYS 21 HE2 LYS 21 -7.530 12.260 4.512 49 HE3 LYS 21 HE1 LYS 21 -6.097 13.040 3.847 50 HZ1 LYS 21 HZ1 LYS 21 -7.219 14.911 3.379 51 HZ2 LYS 21 HZ2 LYS 21 -8.272 14.363 4.589 52 HZ3 LYS 21 HZ3 LYS 21 -8.646 14.101 2.960 53 H VAL 22 HN VAL 22 -6.503 6.591 1.756 54 HA VAL 22 HA VAL 22 -7.161 5.565 -0.913 55 HB VAL 22 HB VAL 22 -6.803 4.130 1.728 56 HG11 VAL 22 HG11 VAL 22 -8.481 2.966 0.446 57 HG12 VAL 22 HG12 VAL 22 -6.974 2.050 0.387 58 HG13 VAL 22 HG13 VAL 22 -7.472 3.025 -0.999 59 HG21 VAL 22 HG21 VAL 22 -4.725 4.937 0.716 60 HG22 VAL 22 HG22 VAL 22 -5.140 4.107 -0.785 61 HG23 VAL 22 HG23 VAL 22 -4.819 3.174 0.676 62 H ALA 23 HN ALA 23 -9.229 5.451 -1.533 63 HA ALA 23 HA ALA 23 -11.312 5.998 0.439 64 HB1 ALA 23 HB1 ALA 23 -11.400 5.921 -2.571 65 HB2 ALA 23 HB2 ALA 23 -11.362 7.355 -1.548 66 HB3 ALA 23 HB3 ALA 23 -12.771 6.298 -1.532 67 H GLY 24 HN GLY 24 -11.942 4.221 1.481 68 HA2 GLY 24 HA2 GLY 24 -12.255 1.703 0.058 69 HA3 GLY 24 HA1 GLY 24 -12.467 1.961 1.787 70 H GLN 25 HN GLN 25 -14.294 0.528 0.115 71 HA GLN 25 HA GLN 25 -16.523 2.335 -0.324 72 HB2 GLN 25 HB2 GLN 25 -16.409 -0.667 -0.646 73 HB3 GLN 25 HB1 GLN 25 -17.684 0.396 -1.223 74 HG2 GLN 25 HG2 GLN 25 -14.849 0.227 -2.199 75 HG3 GLN 25 HG1 GLN 25 -16.321 -0.187 -3.076 76 HE21 GLN 25 HE21 GLN 25 -14.184 1.661 -3.768 77 HE22 GLN 25 HE22 GLN 25 -14.937 3.206 -3.996 78 H ASP 26 HN ASP 26 -15.264 0.723 2.270 79 HA ASP 26 HA ASP 26 -17.860 0.229 3.538 80 HB2 ASP 26 HB2 ASP 26 -16.694 -1.060 5.171 81 HB3 ASP 26 HB1 ASP 26 -16.025 -1.516 3.607 82 H GLY 27 HN GLY 27 -15.571 2.635 3.261 83 HA2 GLY 27 HA2 GLY 27 -16.031 4.769 4.285 84 HA3 GLY 27 HA1 GLY 27 -16.578 3.912 5.715 85 H SER 28 HN SER 28 -13.963 2.194 5.020 86 HA SER 28 HA SER 28 -12.368 3.584 6.985 87 HB2 SER 28 HB2 SER 28 -10.811 1.705 6.741 88 HB3 SER 28 HB1 SER 28 -12.461 1.125 6.949 89 HG SER 28 HG SER 28 -12.566 0.678 4.758 90 H VAL 29 HN VAL 29 -10.593 4.806 6.655 91 HA VAL 29 HA VAL 29 -9.666 5.186 3.889 92 HB VAL 29 HB VAL 29 -10.914 7.153 4.494 93 HG11 VAL 29 HG11 VAL 29 -9.155 7.381 6.935 94 HG12 VAL 29 HG12 VAL 29 -10.834 6.844 6.938 95 HG13 VAL 29 HG13 VAL 29 -10.437 8.494 6.456 96 HG21 VAL 29 HG21 VAL 29 -9.217 8.885 4.273 97 HG22 VAL 29 HG22 VAL 29 -8.834 7.509 3.240 98 HG23 VAL 29 HG23 VAL 29 -7.965 7.740 4.755 99 H VAL 30 HN VAL 30 -7.531 4.990 3.569 100 HA VAL 30 HA VAL 30 -5.836 4.806 5.967 101 HB VAL 30 HB VAL 30 -5.486 3.361 3.332 102 HG11 VAL 30 HG11 VAL 30 -3.627 2.198 4.476 103 HG12 VAL 30 HG12 VAL 30 -3.799 3.314 5.832 104 HG13 VAL 30 HG13 VAL 30 -3.323 3.921 4.246 105 HG21 VAL 30 HG21 VAL 30 -5.815 1.333 4.747 106 HG22 VAL 30 HG22 VAL 30 -7.242 2.359 4.606 107 HG23 VAL 30 HG23 VAL 30 -6.274 2.395 6.077 108 H GLN 31 HN GLN 31 -4.301 6.208 6.175 109 HA GLN 31 HA GLN 31 -3.698 8.139 4.116 110 HB2 GLN 31 HB2 GLN 31 -3.911 8.789 6.491 111 HB3 GLN 31 HB1 GLN 31 -2.554 7.747 6.896 112 HG2 GLN 31 HG2 GLN 31 -1.090 9.143 5.506 113 HG3 GLN 31 HG1 GLN 31 -2.457 10.199 5.148 114 HE21 GLN 31 HE21 GLN 31 0.085 10.757 6.505 115 HE22 GLN 31 HE22 GLN 31 -0.343 11.388 8.065 116 H PHE 32 HN PHE 32 -2.299 7.643 2.574 117 HA PHE 32 HA PHE 32 -0.254 5.615 3.084 118 HB2 PHE 32 HB2 PHE 32 -1.869 6.368 0.808 119 HB3 PHE 32 HB1 PHE 32 -0.162 6.352 0.383 120 HD1 PHE 32 HD1 PHE 32 -2.822 4.289 1.947 121 HD2 PHE 32 HD2 PHE 32 0.916 4.357 -0.073 122 HE1 PHE 32 HE1 PHE 32 -2.899 1.840 1.729 123 HE2 PHE 32 HE2 PHE 32 0.850 1.910 -0.294 124 HZ PHE 32 HZ PHE 32 -1.061 0.646 0.604 125 H LYS 33 HN LYS 33 1.536 6.434 3.884 126 HA LYS 33 HA LYS 33 2.557 8.999 2.924 127 HB2 LYS 33 HB2 LYS 33 2.553 8.566 5.347 128 HB3 LYS 33 HB1 LYS 33 3.549 7.140 5.099 129 HG2 LYS 33 HG2 LYS 33 5.430 8.411 4.530 130 HG3 LYS 33 HG1 LYS 33 4.466 9.873 4.274 131 HD2 LYS 33 HD2 LYS 33 4.037 10.090 6.605 132 HD3 LYS 33 HD1 LYS 33 4.705 8.492 6.940 133 HE2 LYS 33 HE2 LYS 33 6.906 9.357 6.084 134 HE3 LYS 33 HE1 LYS 33 6.180 10.966 6.059 135 HZ1 LYS 33 HZ1 LYS 33 7.256 10.818 8.106 136 HZ2 LYS 33 HZ2 LYS 33 6.730 9.234 8.392 137 HZ3 LYS 33 HZ3 LYS 33 5.633 10.518 8.482 138 H ILE 34 HN ILE 34 3.605 8.833 1.039 139 HA ILE 34 HA ILE 34 5.686 6.786 0.784 140 HB ILE 34 HB ILE 34 4.795 5.708 -0.975 141 HG12 ILE 34 HG12 ILE 34 3.655 8.284 -2.075 142 HG13 ILE 34 HG11 ILE 34 5.252 7.650 -2.458 143 HG21 ILE 34 HG21 ILE 34 2.229 7.204 -0.517 144 HG22 ILE 34 HG22 ILE 34 2.837 5.991 0.607 145 HG23 ILE 34 HG23 ILE 34 2.445 5.537 -1.051 146 HD11 ILE 34 HD11 ILE 34 2.602 6.389 -3.112 147 HD12 ILE 34 HD12 ILE 34 4.167 5.629 -3.390 148 HD13 ILE 34 HD13 ILE 34 3.748 7.117 -4.239 149 H LYS 35 HN LYS 35 7.149 7.270 -1.114 150 HA LYS 35 HA LYS 35 7.622 10.145 -1.205 151 HB2 LYS 35 HB2 LYS 35 9.276 7.728 -1.511 152 HB3 LYS 35 HB1 LYS 35 9.680 9.035 -2.618 153 HG2 LYS 35 HG2 LYS 35 10.355 10.439 -0.938 154 HG3 LYS 35 HG1 LYS 35 9.330 9.663 0.269 155 HD2 LYS 35 HD2 LYS 35 10.821 7.690 0.210 156 HD3 LYS 35 HD1 LYS 35 11.873 8.555 -0.913 157 HE2 LYS 35 HE2 LYS 35 12.643 9.989 0.695 158 HE3 LYS 35 HE1 LYS 35 11.157 9.892 1.640 159 HZ1 LYS 35 HZ1 LYS 35 13.271 7.817 1.473 160 HZ2 LYS 35 HZ2 LYS 35 11.806 7.626 2.296 161 HZ3 LYS 35 HZ3 LYS 35 12.923 8.795 2.806 162 H ARG 36 HN ARG 36 8.103 11.179 -3.284 163 HA ARG 36 HA ARG 36 6.039 10.659 -5.145 164 HB2 ARG 36 HB2 ARG 36 8.483 12.372 -5.581 165 HB3 ARG 36 HB1 ARG 36 6.950 12.485 -6.434 166 HG2 ARG 36 HG2 ARG 36 5.914 12.990 -4.161 167 HG3 ARG 36 HG1 ARG 36 7.568 13.223 -3.593 168 HD2 ARG 36 HD2 ARG 36 6.971 15.368 -4.182 169 HD3 ARG 36 HD1 ARG 36 7.761 14.802 -5.652 170 HE ARG 36 HE ARG 36 5.562 14.468 -6.615 171 HH11 ARG 36 HH11 ARG 36 5.703 16.404 -3.697 172 HH12 ARG 36 HH12 ARG 36 4.197 17.206 -3.997 173 HH21 ARG 36 HH21 ARG 36 3.564 15.517 -7.004 174 HH22 ARG 36 HH22 ARG 36 2.979 16.712 -5.881 175 H HIS 37 HN HIS 37 9.300 9.502 -4.943 176 HA HIS 37 HA HIS 37 9.291 8.646 -7.727 177 HB2 HIS 37 HB2 HIS 37 11.569 8.175 -7.502 178 HB3 HIS 37 HB1 HIS 37 11.344 9.559 -6.443 179 HD2 HIS 37 HD2 HIS 37 11.660 9.059 -3.715 180 HE1 HIS 37 HE1 HIS 37 13.084 5.111 -4.253 181 HE2 HIS 37 HE2 HIS 37 12.812 7.013 -2.601 182 H THR 38 HN THR 38 8.115 7.476 -4.851 183 HA THR 38 HA THR 38 8.740 4.690 -5.153 184 HB THR 38 HB THR 38 6.650 6.043 -3.437 185 HG1 THR 38 HG1 THR 38 9.347 5.994 -3.295 186 HG21 THR 38 HG21 THR 38 7.812 3.261 -3.414 187 HG22 THR 38 HG22 THR 38 6.117 3.736 -3.529 188 HG23 THR 38 HG23 THR 38 7.000 3.970 -2.022 189 HA PRO 39 HA PRO 39 5.706 3.977 -8.383 190 HB2 PRO 39 HB2 PRO 39 6.092 1.162 -7.519 191 HB3 PRO 39 HB1 PRO 39 6.237 1.879 -9.130 192 HG2 PRO 39 HG2 PRO 39 8.406 1.172 -7.766 193 HG3 PRO 39 HG1 PRO 39 8.382 2.640 -8.765 194 HD2 PRO 39 HD2 PRO 39 8.202 2.376 -5.798 195 HD3 PRO 39 HD1 PRO 39 9.024 3.607 -6.780 196 H LEU 40 HN LEU 40 3.544 3.573 -8.478 197 HA LEU 40 HA LEU 40 2.101 3.479 -6.017 198 HB2 LEU 40 HB2 LEU 40 1.213 3.339 -8.893 199 HB3 LEU 40 HB1 LEU 40 0.097 3.356 -7.542 200 HG LEU 40 HG LEU 40 2.085 5.558 -8.081 201 HD11 LEU 40 HD11 LEU 40 0.470 5.321 -9.932 202 HD12 LEU 40 HD12 LEU 40 0.267 6.824 -9.027 203 HD13 LEU 40 HD13 LEU 40 -0.848 5.481 -8.767 204 HD21 LEU 40 HD21 LEU 40 -0.341 5.401 -6.296 205 HD22 LEU 40 HD22 LEU 40 0.646 6.835 -6.557 206 HD23 LEU 40 HD23 LEU 40 1.339 5.422 -5.768 207 H SER 41 HN SER 41 3.509 1.108 -7.859 208 HA SER 41 HA SER 41 1.664 -0.987 -7.823 209 HB2 SER 41 HB2 SER 41 4.541 -1.616 -7.402 210 HB3 SER 41 HB1 SER 41 3.407 -2.263 -8.588 211 HG SER 41 HG SER 41 3.594 -0.312 -9.751 212 H LYS 42 HN LYS 42 3.769 0.314 -5.346 213 HA LYS 42 HA LYS 42 3.531 -1.858 -3.518 214 HB2 LYS 42 HB2 LYS 42 4.102 1.033 -2.854 215 HB3 LYS 42 HB1 LYS 42 4.508 -0.377 -1.883 216 HG2 LYS 42 HG2 LYS 42 6.012 -1.101 -3.756 217 HG3 LYS 42 HG1 LYS 42 5.719 0.471 -4.503 218 HD2 LYS 42 HD2 LYS 42 7.633 0.934 -3.334 219 HD3 LYS 42 HD1 LYS 42 6.424 1.354 -2.114 220 HE2 LYS 42 HE2 LYS 42 6.834 -0.554 -0.873 221 HE3 LYS 42 HE1 LYS 42 7.486 -1.439 -2.250 222 HZ1 LYS 42 HZ1 LYS 42 9.388 0.218 -2.160 223 HZ2 LYS 42 HZ2 LYS 42 9.317 -0.940 -0.924 224 HZ3 LYS 42 HZ3 LYS 42 8.808 0.643 -0.624 225 H LEU 43 HN LEU 43 1.633 0.969 -4.240 226 HA LEU 43 HA LEU 43 0.071 1.043 -1.883 227 HB2 LEU 43 HB2 LEU 43 0.353 2.805 -3.751 228 HB3 LEU 43 HB1 LEU 43 -0.891 1.910 -4.598 229 HG LEU 43 HG LEU 43 -1.519 2.735 -1.820 230 HD11 LEU 43 HD11 LEU 43 -0.378 4.709 -2.691 231 HD12 LEU 43 HD12 LEU 43 -2.112 4.995 -2.518 232 HD13 LEU 43 HD13 LEU 43 -1.424 4.691 -4.115 233 HD21 LEU 43 HD21 LEU 43 -3.057 2.768 -4.417 234 HD22 LEU 43 HD22 LEU 43 -3.716 3.136 -2.823 235 HD23 LEU 43 HD23 LEU 43 -3.135 1.509 -3.184 236 H MET 44 HN MET 44 -0.244 -0.637 -4.949 237 HA MET 44 HA MET 44 -2.833 -1.735 -4.276 238 HB2 MET 44 HB2 MET 44 -0.974 -2.330 -6.583 239 HB3 MET 44 HB1 MET 44 -2.608 -2.954 -6.415 240 HG2 MET 44 HG2 MET 44 -3.406 -0.577 -6.386 241 HG3 MET 44 HG1 MET 44 -1.766 -0.098 -6.817 242 HE1 MET 44 HE1 MET 44 -1.298 -1.659 -10.345 243 HE2 MET 44 HE2 MET 44 -0.876 -2.453 -8.829 244 HE3 MET 44 HE3 MET 44 -0.572 -0.730 -9.034 245 H LYS 45 HN LYS 45 0.111 -2.399 -3.118 246 HA LYS 45 HA LYS 45 -0.421 -5.291 -2.962 247 HB2 LYS 45 HB2 LYS 45 2.186 -3.790 -2.989 248 HB3 LYS 45 HB1 LYS 45 2.073 -5.446 -2.407 249 HG2 LYS 45 HG2 LYS 45 1.144 -6.106 -4.597 250 HG3 LYS 45 HG1 LYS 45 1.394 -4.457 -5.167 251 HD2 LYS 45 HD2 LYS 45 3.792 -4.679 -4.782 252 HD3 LYS 45 HD1 LYS 45 3.551 -6.314 -4.164 253 HE2 LYS 45 HE2 LYS 45 2.677 -7.006 -6.339 254 HE3 LYS 45 HE1 LYS 45 2.902 -5.371 -6.953 255 HZ1 LYS 45 HZ1 LYS 45 5.081 -7.130 -5.970 256 HZ2 LYS 45 HZ2 LYS 45 5.268 -5.592 -6.652 257 HZ3 LYS 45 HZ3 LYS 45 4.698 -6.875 -7.595 258 H ALA 46 HN ALA 46 1.075 -2.623 -1.108 259 HA ALA 46 HA ALA 46 1.191 -3.936 1.348 260 HB1 ALA 46 HB1 ALA 46 2.237 -1.715 0.685 261 HB2 ALA 46 HB2 ALA 46 1.597 -1.836 2.325 262 HB3 ALA 46 HB3 ALA 46 0.680 -0.987 1.079 263 H TYR 47 HN TYR 47 -1.387 -1.874 0.032 264 HA TYR 47 HA TYR 47 -3.078 -2.166 2.313 265 HB2 TYR 47 HB2 TYR 47 -3.245 -0.232 0.810 266 HB3 TYR 47 HB1 TYR 47 -3.725 -1.289 -0.512 267 HD1 TYR 47 HD1 TYR 47 -5.979 -1.582 -0.949 268 HD2 TYR 47 HD2 TYR 47 -4.795 -0.315 2.934 269 HE1 TYR 47 HE1 TYR 47 -8.341 -1.293 -0.335 270 HE2 TYR 47 HE2 TYR 47 -7.154 -0.023 3.564 271 HH TYR 47 HH TYR 47 -9.748 -1.155 1.587 272 H CYS 48 HN CYS 48 -2.554 -3.960 -0.603 273 HA CYS 48 HA CYS 48 -4.976 -5.443 -0.593 274 HB2 CYS 48 HB2 CYS 48 -3.257 -5.103 -2.506 275 HB3 CYS 48 HB1 CYS 48 -2.396 -6.447 -1.765 276 HG CYS 48 HG CYS 48 -4.475 -8.271 -2.087 277 H GLU 49 HN GLU 49 -1.706 -6.054 0.627 278 HA GLU 49 HA GLU 49 -2.195 -8.658 1.603 279 HB2 GLU 49 HB2 GLU 49 -0.168 -6.597 2.487 280 HB3 GLU 49 HB1 GLU 49 -0.147 -8.287 2.965 281 HG2 GLU 49 HG2 GLU 49 0.138 -7.240 0.156 282 HG3 GLU 49 HG1 GLU 49 1.442 -7.842 1.178 283 H ARG 50 HN ARG 50 -2.574 -5.464 3.028 284 HA ARG 50 HA ARG 50 -3.023 -6.280 5.680 285 HB2 ARG 50 HB2 ARG 50 -3.896 -3.828 4.164 286 HB3 ARG 50 HB1 ARG 50 -4.276 -4.067 5.863 287 HG2 ARG 50 HG2 ARG 50 -1.637 -4.522 5.934 288 HG3 ARG 50 HG1 ARG 50 -1.715 -3.403 4.573 289 HD2 ARG 50 HD2 ARG 50 -2.841 -1.758 5.929 290 HD3 ARG 50 HD1 ARG 50 -2.947 -2.892 7.275 291 HE ARG 50 HE ARG 50 -0.249 -2.499 6.463 292 HH11 ARG 50 HH11 ARG 50 -1.775 -0.101 9.303 293 HH12 ARG 50 HH12 ARG 50 -2.848 -1.003 8.282 294 HH21 ARG 50 HH21 ARG 50 1.157 -1.305 7.811 295 HH22 ARG 50 HH22 ARG 50 0.493 -0.271 9.040 296 H GLN 51 HN GLN 51 -5.240 -5.868 2.955 297 HA GLN 51 HA GLN 51 -7.544 -6.516 4.563 298 HB2 GLN 51 HB2 GLN 51 -7.191 -6.220 1.578 299 HB3 GLN 51 HB1 GLN 51 -8.736 -6.533 2.356 300 HG2 GLN 51 HG2 GLN 51 -7.002 -4.095 2.664 301 HG3 GLN 51 HG1 GLN 51 -8.570 -4.198 1.870 302 HE21 GLN 51 HE21 GLN 51 -10.433 -4.467 3.146 303 HE22 GLN 51 HE22 GLN 51 -10.444 -4.044 4.822 304 H GLY 52 HN GLY 52 -5.114 -8.277 2.994 305 HA2 GLY 52 HA2 GLY 52 -4.766 -10.552 2.866 306 HA3 GLY 52 HA1 GLY 52 -6.265 -10.776 3.757 307 H LEU 53 HN LEU 53 -5.925 -9.048 0.709 308 HA LEU 53 HA LEU 53 -7.506 -11.178 -0.573 309 HB2 LEU 53 HB2 LEU 53 -7.726 -8.188 -0.924 310 HB3 LEU 53 HB1 LEU 53 -8.500 -9.352 -1.983 311 HG LEU 53 HG LEU 53 -9.036 -9.150 0.980 312 HD11 LEU 53 HD11 LEU 53 -9.747 -7.120 -0.155 313 HD12 LEU 53 HD12 LEU 53 -11.136 -8.082 0.350 314 HD13 LEU 53 HD13 LEU 53 -10.632 -8.079 -1.340 315 HD21 LEU 53 HD21 LEU 53 -9.498 -11.351 0.098 316 HD22 LEU 53 HD22 LEU 53 -10.403 -10.660 -1.246 317 HD23 LEU 53 HD23 LEU 53 -11.018 -10.512 0.399 318 H SER 54 HN SER 54 -7.330 -11.084 -3.005 319 HA SER 54 HA SER 54 -4.512 -10.837 -3.690 320 HB2 SER 54 HB2 SER 54 -5.814 -12.915 -4.253 321 HB3 SER 54 HB1 SER 54 -6.777 -11.950 -5.371 322 HG SER 54 HG SER 54 -3.991 -12.495 -5.489 323 H MET 55 HN MET 55 -3.716 -9.469 -5.241 324 HA MET 55 HA MET 55 -5.025 -7.028 -5.699 325 HB2 MET 55 HB2 MET 55 -2.534 -7.485 -5.734 326 HB3 MET 55 HB1 MET 55 -2.760 -8.164 -7.339 327 HG2 MET 55 HG2 MET 55 -3.620 -6.003 -8.118 328 HG3 MET 55 HG1 MET 55 -3.342 -5.330 -6.513 329 HE1 MET 55 HE1 MET 55 -1.166 -7.779 -8.788 330 HE2 MET 55 HE2 MET 55 -0.082 -6.594 -9.516 331 HE3 MET 55 HE3 MET 55 -1.810 -6.531 -9.851 332 H ARG 56 HN ARG 56 -5.137 -10.031 -7.360 333 HA ARG 56 HA ARG 56 -6.064 -8.994 -9.872 334 HB2 ARG 56 HB2 ARG 56 -4.810 -11.176 -9.501 335 HB3 ARG 56 HB1 ARG 56 -6.318 -11.824 -8.872 336 HG2 ARG 56 HG2 ARG 56 -7.408 -11.382 -11.011 337 HG3 ARG 56 HG1 ARG 56 -5.892 -10.729 -11.641 338 HD2 ARG 56 HD2 ARG 56 -4.815 -12.886 -11.304 339 HD3 ARG 56 HD1 ARG 56 -6.313 -13.544 -10.646 340 HE ARG 56 HE ARG 56 -7.294 -13.255 -12.847 341 HH11 ARG 56 HH11 ARG 56 -3.798 -13.083 -12.654 342 HH12 ARG 56 HH12 ARG 56 -3.568 -13.507 -14.321 343 HH21 ARG 56 HH21 ARG 56 -6.993 -13.814 -15.025 344 HH22 ARG 56 HH22 ARG 56 -5.387 -13.923 -15.672 345 H GLN 57 HN GLN 57 -7.491 -9.455 -6.860 346 HA GLN 57 HA GLN 57 -10.150 -9.993 -7.946 347 HB2 GLN 57 HB2 GLN 57 -9.464 -11.234 -5.953 348 HB3 GLN 57 HB1 GLN 57 -9.198 -9.726 -5.086 349 HG2 GLN 57 HG2 GLN 57 -11.620 -9.216 -5.382 350 HG3 GLN 57 HG1 GLN 57 -11.824 -10.832 -6.059 351 HE21 GLN 57 HE21 GLN 57 -12.945 -9.590 -3.640 352 HE22 GLN 57 HE22 GLN 57 -12.500 -10.636 -2.334 353 H ILE 58 HN ILE 58 -8.325 -7.458 -6.338 354 HA ILE 58 HA ILE 58 -10.667 -5.712 -6.387 355 HB ILE 58 HB ILE 58 -9.155 -4.111 -5.134 356 HG12 ILE 58 HG12 ILE 58 -7.426 -6.593 -4.952 357 HG13 ILE 58 HG11 ILE 58 -7.000 -5.090 -5.766 358 HG21 ILE 58 HG21 ILE 58 -9.989 -6.775 -4.034 359 HG22 ILE 58 HG22 ILE 58 -10.794 -5.213 -3.883 360 HG23 ILE 58 HG23 ILE 58 -9.297 -5.520 -3.006 361 HD11 ILE 58 HD11 ILE 58 -7.460 -5.436 -2.814 362 HD12 ILE 58 HD12 ILE 58 -7.053 -3.924 -3.619 363 HD13 ILE 58 HD13 ILE 58 -5.900 -5.257 -3.615 364 H ARG 59 HN ARG 59 -10.256 -3.400 -6.999 365 HA ARG 59 HA ARG 59 -8.336 -3.110 -9.210 366 HB2 ARG 59 HB2 ARG 59 -11.259 -2.334 -9.318 367 HB3 ARG 59 HB1 ARG 59 -10.066 -1.961 -10.552 368 HG2 ARG 59 HG2 ARG 59 -10.905 -4.737 -9.745 369 HG3 ARG 59 HG1 ARG 59 -11.507 -3.859 -11.148 370 HD2 ARG 59 HD2 ARG 59 -9.167 -3.707 -11.977 371 HD3 ARG 59 HD1 ARG 59 -8.671 -4.733 -10.635 372 HE ARG 59 HE ARG 59 -10.261 -5.536 -12.956 373 HH11 ARG 59 HH11 ARG 59 -8.677 -6.388 -9.951 374 HH12 ARG 59 HH12 ARG 59 -8.741 -8.100 -10.263 375 HH21 ARG 59 HH21 ARG 59 -10.335 -7.784 -13.366 376 HH22 ARG 59 HH22 ARG 59 -9.678 -8.892 -12.201 377 H PHE 60 HN PHE 60 -7.499 -1.045 -9.429 378 HA PHE 60 HA PHE 60 -8.367 0.897 -7.387 379 HB2 PHE 60 HB2 PHE 60 -5.609 0.282 -8.447 380 HB3 PHE 60 HB1 PHE 60 -5.977 1.761 -7.568 381 HD1 PHE 60 HD1 PHE 60 -6.055 -1.937 -7.287 382 HD2 PHE 60 HD2 PHE 60 -5.948 1.795 -5.249 383 HE1 PHE 60 HE1 PHE 60 -5.673 -3.115 -5.161 384 HE2 PHE 60 HE2 PHE 60 -5.565 0.627 -3.118 385 HZ PHE 60 HZ PHE 60 -5.428 -1.833 -3.073 386 H ARG 61 HN ARG 61 -8.834 2.935 -8.015 387 HA ARG 61 HA ARG 61 -8.299 3.658 -10.826 388 HB2 ARG 61 HB2 ARG 61 -10.850 3.919 -9.258 389 HB3 ARG 61 HB1 ARG 61 -10.517 4.969 -10.628 390 HG2 ARG 61 HG2 ARG 61 -10.239 2.932 -12.034 391 HG3 ARG 61 HG1 ARG 61 -10.774 1.970 -10.654 392 HD2 ARG 61 HD2 ARG 61 -12.866 3.313 -10.608 393 HD3 ARG 61 HD1 ARG 61 -12.335 4.117 -12.082 394 HE ARG 61 HE ARG 61 -12.240 1.499 -12.745 395 HH11 ARG 61 HH11 ARG 61 -16.035 2.595 -12.002 396 HH12 ARG 61 HH12 ARG 61 -14.726 3.510 -11.326 397 HH21 ARG 61 HH21 ARG 61 -13.954 0.294 -13.648 398 HH22 ARG 61 HH22 ARG 61 -15.597 0.758 -13.330 399 H PHE 62 HN PHE 62 -7.784 5.755 -11.255 400 HA PHE 62 HA PHE 62 -7.801 7.732 -9.112 401 HB2 PHE 62 HB2 PHE 62 -5.602 6.690 -8.884 402 HB3 PHE 62 HB1 PHE 62 -5.288 6.930 -10.599 403 HD1 PHE 62 HD1 PHE 62 -5.939 8.752 -7.436 404 HD2 PHE 62 HD2 PHE 62 -4.310 8.904 -11.364 405 HE1 PHE 62 HE1 PHE 62 -4.980 10.959 -6.948 406 HE2 PHE 62 HE2 PHE 62 -3.346 11.117 -10.882 407 HZ PHE 62 HZ PHE 62 -3.684 12.147 -8.670 408 H ASP 63 HN ASP 63 -8.356 9.673 -9.884 409 HA ASP 63 HA ASP 63 -8.928 11.355 -11.295 410 HB2 ASP 63 HB2 ASP 63 -6.435 11.128 -11.839 411 HB3 ASP 63 HB1 ASP 63 -6.935 10.243 -13.273 412 H GLY 64 HN GLY 64 -10.197 8.693 -11.427 413 HA2 GLY 64 HA2 GLY 64 -12.110 8.013 -12.567 414 HA3 GLY 64 HA1 GLY 64 -11.742 9.168 -13.836 415 H GLN 65 HN GLN 65 -8.911 7.679 -13.516 416 HA GLN 65 HA GLN 65 -9.616 5.631 -15.516 417 HB2 GLN 65 HB2 GLN 65 -6.857 6.773 -15.164 418 HB3 GLN 65 HB1 GLN 65 -7.536 5.964 -16.565 419 HG2 GLN 65 HG2 GLN 65 -8.270 8.713 -15.584 420 HG3 GLN 65 HG1 GLN 65 -7.234 8.343 -16.960 421 HE21 GLN 65 HE21 GLN 65 -9.625 9.900 -16.965 422 HE22 GLN 65 HE22 GLN 65 -10.747 9.110 -18.016 423 HA PRO 66 HA PRO 66 -8.028 2.556 -12.732 424 HB2 PRO 66 HB2 PRO 66 -7.066 0.937 -14.955 425 HB3 PRO 66 HB1 PRO 66 -8.456 0.656 -13.901 426 HG2 PRO 66 HG2 PRO 66 -8.730 1.288 -16.511 427 HG3 PRO 66 HG1 PRO 66 -9.913 1.760 -15.275 428 HD2 PRO 66 HD2 PRO 66 -7.740 3.399 -16.527 429 HD3 PRO 66 HD1 PRO 66 -9.421 3.843 -16.165 430 H ILE 67 HN ILE 67 -6.134 1.977 -11.736 431 HA ILE 67 HA ILE 67 -3.710 3.245 -12.739 432 HB ILE 67 HB ILE 67 -4.109 1.723 -10.158 433 HG12 ILE 67 HG12 ILE 67 -4.278 4.701 -10.671 434 HG13 ILE 67 HG11 ILE 67 -5.643 3.647 -10.315 435 HG21 ILE 67 HG21 ILE 67 -2.120 2.975 -9.418 436 HG22 ILE 67 HG22 ILE 67 -1.969 3.661 -11.034 437 HG23 ILE 67 HG23 ILE 67 -1.777 1.926 -10.792 438 HD11 ILE 67 HD11 ILE 67 -4.556 3.126 -8.130 439 HD12 ILE 67 HD12 ILE 67 -5.077 4.796 -8.325 440 HD13 ILE 67 HD13 ILE 67 -3.372 4.381 -8.493 441 H ASN 68 HN ASN 68 -2.042 2.202 -13.644 442 HA ASN 68 HA ASN 68 -2.235 -0.696 -13.946 443 HB2 ASN 68 HB2 ASN 68 -1.729 1.124 -15.822 444 HB3 ASN 68 HB1 ASN 68 -0.078 0.910 -15.253 445 HD21 ASN 68 HD21 ASN 68 -1.283 0.256 -17.825 446 HD22 ASN 68 HD22 ASN 68 -1.006 -1.434 -18.067 447 H GLU 69 HN GLU 69 0.002 -1.819 -13.965 448 HA GLU 69 HA GLU 69 1.194 -1.326 -11.361 449 HB2 GLU 69 HB2 GLU 69 1.681 -3.503 -13.406 450 HB3 GLU 69 HB1 GLU 69 2.402 -3.452 -11.804 451 HG2 GLU 69 HG2 GLU 69 0.370 -3.858 -10.740 452 HG3 GLU 69 HG1 GLU 69 -0.568 -3.408 -12.163 453 H THR 70 HN THR 70 1.638 0.204 -14.059 454 HA THR 70 HA THR 70 4.569 0.323 -13.831 455 HB THR 70 HB THR 70 4.325 1.126 -16.329 456 HG1 THR 70 HG1 THR 70 2.167 1.070 -16.675 457 HG21 THR 70 HG21 THR 70 4.502 -1.269 -17.077 458 HG22 THR 70 HG22 THR 70 4.154 -1.744 -15.414 459 HG23 THR 70 HG23 THR 70 5.607 -0.818 -15.780 460 H ASP 71 HN ASP 71 2.452 1.938 -12.503 461 HA ASP 71 HA ASP 71 3.113 4.552 -13.679 462 HB2 ASP 71 HB2 ASP 71 0.581 3.642 -12.332 463 HB3 ASP 71 HB1 ASP 71 0.978 5.348 -12.526 464 H THR 72 HN THR 72 3.639 6.228 -12.386 465 HA THR 72 HA THR 72 4.162 5.649 -9.546 466 HB THR 72 HB THR 72 6.051 7.376 -9.849 467 HG1 THR 72 HG1 THR 72 5.907 6.564 -12.569 468 HG21 THR 72 HG21 THR 72 6.809 5.221 -9.446 469 HG22 THR 72 HG22 THR 72 7.532 5.579 -11.014 470 HG23 THR 72 HG23 THR 72 6.083 4.582 -10.922 471 HA PRO 73 HA PRO 73 1.807 9.239 -8.457 472 HB2 PRO 73 HB2 PRO 73 4.160 10.349 -7.019 473 HB3 PRO 73 HB1 PRO 73 2.536 9.986 -6.416 474 HG2 PRO 73 HG2 PRO 73 4.583 8.426 -5.771 475 HG3 PRO 73 HG1 PRO 73 2.982 7.743 -6.121 476 HD2 PRO 73 HD2 PRO 73 5.417 7.806 -7.840 477 HD3 PRO 73 HD1 PRO 73 4.213 6.518 -7.633 478 H ALA 74 HN ALA 74 5.156 9.923 -9.374 479 HA ALA 74 HA ALA 74 4.734 12.614 -10.122 480 HB1 ALA 74 HB1 ALA 74 6.912 12.422 -11.251 481 HB2 ALA 74 HB2 ALA 74 6.883 10.680 -10.983 482 HB3 ALA 74 HB3 ALA 74 6.951 11.782 -9.610 483 H GLN 75 HN GLN 75 4.550 9.569 -11.881 484 HA GLN 75 HA GLN 75 4.399 10.618 -14.481 485 HB2 GLN 75 HB2 GLN 75 4.823 8.228 -13.932 486 HB3 GLN 75 HB1 GLN 75 3.138 8.071 -13.451 487 HG2 GLN 75 HG2 GLN 75 3.482 7.211 -15.688 488 HG3 GLN 75 HG1 GLN 75 2.435 8.631 -15.718 489 HE21 GLN 75 HE21 GLN 75 2.838 9.339 -17.736 490 HE22 GLN 75 HE22 GLN 75 4.392 9.856 -18.294 491 H LEU 76 HN LEU 76 1.899 9.989 -12.068 492 HA LEU 76 HA LEU 76 -0.136 10.946 -13.932 493 HB2 LEU 76 HB2 LEU 76 -0.462 9.832 -11.144 494 HB3 LEU 76 HB1 LEU 76 -1.754 10.178 -12.275 495 HG LEU 76 HG LEU 76 0.381 8.079 -12.666 496 HD11 LEU 76 HD11 LEU 76 -1.101 7.410 -10.909 497 HD12 LEU 76 HD12 LEU 76 -1.503 6.496 -12.365 498 HD13 LEU 76 HD13 LEU 76 -2.514 7.855 -11.865 499 HD21 LEU 76 HD21 LEU 76 -2.062 8.751 -14.299 500 HD22 LEU 76 HD22 LEU 76 -1.020 7.352 -14.549 501 HD23 LEU 76 HD23 LEU 76 -0.383 8.979 -14.783 502 H GLU 77 HN GLU 77 2.016 12.425 -12.173 503 HA GLU 77 HA GLU 77 2.238 14.360 -10.996 504 HB2 GLU 77 HB2 GLU 77 -0.171 15.105 -12.667 505 HB3 GLU 77 HB1 GLU 77 0.875 16.245 -11.832 506 HG2 GLU 77 HG2 GLU 77 1.708 14.389 -14.055 507 HG3 GLU 77 HG1 GLU 77 1.383 16.114 -14.212 508 H MET 78 HN MET 78 1.171 12.607 -9.366 509 HA MET 78 HA MET 78 -1.365 13.405 -8.284 510 HB2 MET 78 HB2 MET 78 0.754 11.570 -7.157 511 HB3 MET 78 HB1 MET 78 -0.885 11.740 -6.539 512 HG2 MET 78 HG2 MET 78 -1.801 10.852 -8.570 513 HG3 MET 78 HG1 MET 78 -0.206 10.809 -9.316 514 HE1 MET 78 HE1 MET 78 -2.545 9.277 -6.568 515 HE2 MET 78 HE2 MET 78 -1.170 9.833 -5.614 516 HE3 MET 78 HE3 MET 78 -1.474 8.106 -5.796 517 H GLU 79 HN GLU 79 -1.782 14.410 -6.348 518 HA GLU 79 HA GLU 79 0.475 15.858 -5.136 519 HB2 GLU 79 HB2 GLU 79 -2.113 16.813 -6.171 520 HB3 GLU 79 HB1 GLU 79 -1.691 17.425 -4.578 521 HG2 GLU 79 HG2 GLU 79 -0.091 17.697 -7.108 522 HG3 GLU 79 HG1 GLU 79 -0.933 18.974 -6.229 523 H ASP 80 HN ASP 80 -0.338 16.785 -2.897 524 HA ASP 80 HA ASP 80 -0.969 14.518 -1.273 525 HB2 ASP 80 HB2 ASP 80 0.442 16.689 -0.731 526 HB3 ASP 80 HB1 ASP 80 -1.117 17.330 -0.232 527 H GLU 81 HN GLU 81 -2.811 14.443 0.220 528 HA GLU 81 HA GLU 81 -5.017 14.528 0.761 529 HB2 GLU 81 HB2 GLU 81 -4.775 17.110 -0.747 530 HB3 GLU 81 HB1 GLU 81 -6.359 16.524 -0.259 531 HG2 GLU 81 HG2 GLU 81 -4.124 16.813 1.710 532 HG3 GLU 81 HG1 GLU 81 -5.154 18.173 1.273 533 H ASP 82 HN ASP 82 -3.852 13.734 -2.122 534 HA ASP 82 HA ASP 82 -6.263 13.620 -3.684 535 HB2 ASP 82 HB2 ASP 82 -3.578 13.436 -4.278 536 HB3 ASP 82 HB1 ASP 82 -4.124 11.772 -4.455 537 H THR 83 HN THR 83 -7.520 11.793 -4.125 538 HA THR 83 HA THR 83 -7.124 9.570 -2.233 539 HB THR 83 HB THR 83 -9.811 10.459 -3.254 540 HG1 THR 83 HG1 THR 83 -9.982 11.558 -1.197 541 HG21 THR 83 HG21 THR 83 -9.605 8.198 -2.280 542 HG22 THR 83 HG22 THR 83 -10.646 9.255 -1.325 543 HG23 THR 83 HG23 THR 83 -8.998 8.919 -0.789 544 H ILE 84 HN ILE 84 -7.175 7.549 -2.984 545 HA ILE 84 HA ILE 84 -7.752 7.127 -5.843 546 HB ILE 84 HB ILE 84 -5.926 5.704 -3.915 547 HG12 ILE 84 HG12 ILE 84 -5.461 6.693 -6.731 548 HG13 ILE 84 HG11 ILE 84 -5.132 7.648 -5.292 549 HG21 ILE 84 HG21 ILE 84 -7.140 3.909 -4.947 550 HG22 ILE 84 HG22 ILE 84 -5.538 3.996 -5.684 551 HG23 ILE 84 HG23 ILE 84 -6.942 4.633 -6.544 552 HD11 ILE 84 HD11 ILE 84 -3.517 5.934 -4.568 553 HD12 ILE 84 HD12 ILE 84 -3.098 6.664 -6.115 554 HD13 ILE 84 HD13 ILE 84 -3.818 5.055 -6.066 555 H ASP 85 HN ASP 85 -9.345 5.754 -6.431 556 HA ASP 85 HA ASP 85 -11.091 4.773 -4.318 557 HB2 ASP 85 HB2 ASP 85 -11.470 4.695 -7.317 558 HB3 ASP 85 HB1 ASP 85 -12.690 4.315 -6.109 559 H VAL 86 HN VAL 86 -11.424 2.692 -3.806 560 HA VAL 86 HA VAL 86 -9.953 0.657 -5.346 561 HB VAL 86 HB VAL 86 -10.768 0.422 -2.447 562 HG11 VAL 86 HG11 VAL 86 -10.369 -1.687 -3.622 563 HG12 VAL 86 HG12 VAL 86 -9.137 -1.391 -2.394 564 HG13 VAL 86 HG13 VAL 86 -8.768 -1.118 -4.098 565 HG21 VAL 86 HG21 VAL 86 -8.079 1.248 -3.538 566 HG22 VAL 86 HG22 VAL 86 -8.472 0.956 -1.844 567 HG23 VAL 86 HG23 VAL 86 -9.219 2.302 -2.702 568 H PHE 87 HN PHE 87 -11.178 -0.741 -6.399 569 HA PHE 87 HA PHE 87 -13.922 -1.252 -5.434 570 HB2 PHE 87 HB2 PHE 87 -12.945 -1.080 -8.293 571 HB3 PHE 87 HB1 PHE 87 -14.561 -1.588 -7.816 572 HD1 PHE 87 HD1 PHE 87 -16.016 0.059 -6.567 573 HD2 PHE 87 HD2 PHE 87 -12.434 1.177 -8.573 574 HE1 PHE 87 HE1 PHE 87 -16.759 2.401 -6.591 575 HE2 PHE 87 HE2 PHE 87 -13.176 3.520 -8.598 576 HZ PHE 87 HZ PHE 87 -15.342 4.136 -7.608 577 H GLN 88 HN GLN 88 -14.744 -3.350 -6.705 578 HA GLN 88 HA GLN 88 -12.593 -5.354 -6.632 579 HB2 GLN 88 HB2 GLN 88 -15.368 -5.730 -5.493 580 HB3 GLN 88 HB1 GLN 88 -14.092 -6.938 -5.529 581 HG2 GLN 88 HG2 GLN 88 -12.754 -5.141 -4.195 582 HG3 GLN 88 HG1 GLN 88 -14.356 -4.514 -3.822 583 HE21 GLN 88 HE21 GLN 88 -14.201 -4.996 -1.653 584 HE22 GLN 88 HE22 GLN 88 -14.245 -6.617 -1.053 585 H GLN 89 HN GLN 89 -12.740 -7.006 -8.106 586 HA GLN 89 HA GLN 89 -14.182 -6.438 -10.488 587 HB2 GLN 89 HB2 GLN 89 -11.985 -7.578 -10.463 588 HB3 GLN 89 HB1 GLN 89 -12.728 -8.966 -9.682 589 HG2 GLN 89 HG2 GLN 89 -12.425 -9.389 -12.036 590 HG3 GLN 89 HG1 GLN 89 -14.142 -9.311 -11.646 591 HE21 GLN 89 HE21 GLN 89 -14.670 -8.866 -13.788 592 HE22 GLN 89 HE22 GLN 89 -14.381 -7.320 -14.504 593 H GLN 90 HN GLN 90 -15.970 -7.398 -11.354 594 HA GLN 90 HA GLN 90 -17.989 -8.302 -9.670 595 HB2 GLN 90 HB2 GLN 90 -17.601 -8.475 -12.644 596 HB3 GLN 90 HB1 GLN 90 -19.017 -9.173 -11.876 597 HG2 GLN 90 HG2 GLN 90 -19.656 -7.044 -12.643 598 HG3 GLN 90 HG1 GLN 90 -19.474 -6.905 -10.897 599 HE21 GLN 90 HE21 GLN 90 -19.258 -4.654 -11.139 600 HE22 GLN 90 HE22 GLN 90 -17.777 -3.949 -11.685 601 H THR 91 HN THR 91 -18.814 -10.313 -9.163 602 HA THR 91 HA THR 91 -16.978 -12.442 -8.970 603 HB THR 91 HB THR 91 -19.379 -13.658 -8.556 604 HG1 THR 91 HG1 THR 91 -20.838 -12.174 -7.803 605 HG21 THR 91 HG21 THR 91 -19.059 -13.126 -6.185 606 HG22 THR 91 HG22 THR 91 -17.926 -11.847 -6.623 607 HG23 THR 91 HG23 THR 91 -17.530 -13.532 -6.962 608 H GLY 92 HN GLY 92 -19.821 -11.958 -11.047 609 HA2 GLY 92 HA2 GLY 92 -19.135 -12.821 -13.416 610 HA3 GLY 92 HA1 GLY 92 -19.084 -14.358 -12.564 611 H1 ASP 195 HN ASP 195 -12.132 4.836 16.454 612 HA ASP 195 HA ASP 195 -14.002 5.484 14.671 613 HB2 ASP 195 HB2 ASP 195 -13.181 7.907 15.092 614 HB3 ASP 195 HB1 ASP 195 -11.788 7.443 14.117 615 H THR 196 HN THR 196 -12.592 5.809 12.213 616 HA THR 196 HA THR 196 -10.728 3.546 12.426 617 HB THR 196 HB THR 196 -11.838 3.969 9.774 618 HG1 THR 196 HG1 THR 196 -13.853 4.184 10.360 619 HG21 THR 196 HG21 THR 196 -12.340 1.526 10.066 620 HG22 THR 196 HG22 THR 196 -11.680 1.650 11.698 621 HG23 THR 196 HG23 THR 196 -10.651 1.963 10.300 622 H ALA 197 HN ALA 197 -8.749 4.140 12.120 623 HA ALA 197 HA ALA 197 -8.114 6.059 9.989 624 HB1 ALA 197 HB1 ALA 197 -6.304 6.968 11.379 625 HB2 ALA 197 HB2 ALA 197 -6.819 5.945 12.722 626 HB3 ALA 197 HB3 ALA 197 -7.883 7.218 12.123 627 H GLY 198 HN GLY 198 -6.655 5.221 8.577 628 HA2 GLY 198 HA2 GLY 198 -5.077 2.927 9.550 629 HA3 GLY 198 HA1 GLY 198 -5.750 3.010 7.921 630 H CYS 199 HN CYS 199 -2.904 3.117 9.353 631 HA CYS 199 HA CYS 199 -1.952 5.242 7.549 632 HB2 CYS 199 HB2 CYS 199 -0.871 4.505 10.274 633 HB3 CYS 199 HB1 CYS 199 -0.091 5.631 9.174 634 HG CYS 199 HG CYS 199 -3.201 6.548 9.567 635 H ILE 200 HN ILE 200 -0.712 4.539 5.998 636 HA ILE 200 HA ILE 200 0.947 2.171 6.473 637 HB ILE 200 HB ILE 200 -0.696 2.777 4.015 638 HG12 ILE 200 HG12 ILE 200 -0.535 0.408 5.889 639 HG13 ILE 200 HG11 ILE 200 -1.855 1.567 5.790 640 HG21 ILE 200 HG21 ILE 200 0.472 0.488 3.338 641 HG22 ILE 200 HG22 ILE 200 1.773 1.164 4.319 642 HG23 ILE 200 HG23 ILE 200 1.167 2.052 2.922 643 HD11 ILE 200 HD11 ILE 200 -1.699 0.629 3.229 644 HD12 ILE 200 HD12 ILE 200 -2.815 0.059 4.465 645 HD13 ILE 200 HD13 ILE 200 -1.300 -0.794 4.186 646 H VAL 201 HN VAL 201 3.056 2.473 6.037 647 HA VAL 201 HA VAL 201 3.753 4.754 4.323 648 HB VAL 201 HB VAL 201 4.349 5.406 6.550 649 HG11 VAL 201 HG11 VAL 201 4.329 3.247 7.636 650 HG12 VAL 201 HG12 VAL 201 5.852 4.078 7.957 651 HG13 VAL 201 HG13 VAL 201 5.790 2.777 6.769 652 HG21 VAL 201 HG21 VAL 201 7.027 4.523 5.693 653 HG22 VAL 201 HG22 VAL 201 6.429 6.142 6.056 654 HG23 VAL 201 HG23 VAL 201 6.082 5.401 4.493 655 H ILE 202 HN ILE 202 4.990 4.266 2.620 656 HA ILE 202 HA ILE 202 6.439 1.713 2.696 657 HB ILE 202 HB ILE 202 6.135 1.470 0.276 658 HG12 ILE 202 HG12 ILE 202 4.733 4.085 0.575 659 HG13 ILE 202 HG11 ILE 202 5.733 3.479 -0.741 660 HG21 ILE 202 HG21 ILE 202 3.794 1.498 2.117 661 HG22 ILE 202 HG22 ILE 202 4.682 0.139 1.423 662 HG23 ILE 202 HG23 ILE 202 3.569 1.067 0.421 663 HD11 ILE 202 HD11 ILE 202 3.717 3.533 -1.761 664 HD12 ILE 202 HD12 ILE 202 2.826 3.170 -0.281 665 HD13 ILE 202 HD13 ILE 202 3.687 1.885 -1.128 666 H SEP 203 HN SEP 203 8.512 1.800 2.293 667 HA SEP 203 HA SEP 203 9.634 4.338 1.325 668 HB2 SEP 203 HB1 SEP 203 11.728 3.211 2.553 669 HB3 SEP 203 HB2 SEP 203 10.435 2.450 3.479 670 H ASP 204 HN ASP 204 10.833 4.279 -0.450 671 HA ASP 204 HA ASP 204 11.677 1.660 -1.488 672 HB2 ASP 204 HB2 ASP 204 9.848 3.308 -2.672 673 HB3 ASP 204 HB1 ASP 204 11.340 3.861 -3.429 674 H SEP 205 HN SEP 205 13.777 1.427 -1.801 675 HA SEP 205 HA SEP 205 15.455 3.831 -1.967 676 HB2 SEP 205 HB1 SEP 205 15.987 2.967 0.128 677 HB3 SEP 205 HB2 SEP 205 17.219 2.239 -0.901 678 H GLU 206 HN GLU 206 16.834 3.942 -3.638 679 HA GLU 206 HA GLU 206 16.630 2.262 -5.853 680 HB2 GLU 206 HB2 GLU 206 17.501 4.604 -5.846 681 HB3 GLU 206 HB1 GLU 206 18.988 4.004 -5.126 682 HG2 GLU 206 HG2 GLU 206 19.401 4.251 -7.436 683 HG3 GLU 206 HG1 GLU 206 19.249 2.522 -7.129 Start of MODEL 15 1 H1 ASP 16 HN ASP 16 11.069 13.608 0.011 2 HA ASP 16 HA ASP 16 9.441 15.297 1.627 3 HB2 ASP 16 HB2 ASP 16 10.020 16.577 -0.631 4 HB3 ASP 16 HB1 ASP 16 8.717 15.570 -1.255 5 H HIS 17 HN HIS 17 7.835 14.047 2.298 6 HA HIS 17 HA HIS 17 7.143 11.679 0.721 7 HB2 HIS 17 HB2 HIS 17 7.070 12.365 3.609 8 HB3 HIS 17 HB1 HIS 17 5.800 11.299 3.020 9 HD2 HIS 17 HD2 HIS 17 6.821 8.864 1.805 10 HE1 HIS 17 HE1 HIS 17 10.402 9.114 4.054 11 HE2 HIS 17 HE2 HIS 17 8.939 7.602 2.633 12 H ILE 18 HN ILE 18 5.179 11.399 -0.160 13 HA ILE 18 HA ILE 18 3.249 13.584 0.193 14 HB ILE 18 HB ILE 18 3.975 13.305 -2.106 15 HG12 ILE 18 HG12 ILE 18 1.157 12.274 -1.727 16 HG13 ILE 18 HG11 ILE 18 1.641 13.967 -1.719 17 HG21 ILE 18 HG21 ILE 18 3.438 11.231 -3.362 18 HG22 ILE 18 HG22 ILE 18 3.041 10.459 -1.828 19 HG23 ILE 18 HG23 ILE 18 4.684 11.024 -2.131 20 HD11 ILE 18 HD11 ILE 18 2.447 13.659 -4.059 21 HD12 ILE 18 HD12 ILE 18 0.705 13.490 -3.842 22 HD13 ILE 18 HD13 ILE 18 1.713 12.056 -4.033 23 H ASN 19 HN ASN 19 1.315 13.212 1.090 24 HA ASN 19 HA ASN 19 0.776 10.460 1.962 25 HB2 ASN 19 HB2 ASN 19 -0.007 13.160 2.990 26 HB3 ASN 19 HB1 ASN 19 -1.005 11.764 3.386 27 HD21 ASN 19 HD21 ASN 19 1.950 13.417 3.959 28 HD22 ASN 19 HD22 ASN 19 2.536 12.379 5.213 29 H LEU 20 HN LEU 20 -0.537 9.323 0.763 30 HA LEU 20 HA LEU 20 -2.609 10.667 -0.820 31 HB2 LEU 20 HB2 LEU 20 -1.612 7.817 -0.985 32 HB3 LEU 20 HB1 LEU 20 -2.745 8.575 -2.084 33 HG LEU 20 HG LEU 20 -0.689 10.258 -2.410 34 HD11 LEU 20 HD11 LEU 20 1.411 9.040 -2.431 35 HD12 LEU 20 HD12 LEU 20 0.606 7.620 -1.762 36 HD13 LEU 20 HD13 LEU 20 0.736 9.093 -0.803 37 HD21 LEU 20 HD21 LEU 20 -0.919 7.571 -3.750 38 HD22 LEU 20 HD22 LEU 20 -0.109 8.995 -4.401 39 HD23 LEU 20 HD23 LEU 20 -1.857 9.005 -4.164 40 H LYS 21 HN LYS 21 -4.783 10.051 -0.690 41 HA LYS 21 HA LYS 21 -5.463 8.616 1.790 42 HB2 LYS 21 HB2 LYS 21 -7.193 10.471 0.146 43 HB3 LYS 21 HB1 LYS 21 -7.625 9.744 1.684 44 HG2 LYS 21 HG2 LYS 21 -5.938 11.046 2.817 45 HG3 LYS 21 HG1 LYS 21 -5.383 11.714 1.279 46 HD2 LYS 21 HD2 LYS 21 -7.611 12.700 0.930 47 HD3 LYS 21 HD1 LYS 21 -8.121 12.075 2.496 48 HE2 LYS 21 HE2 LYS 21 -6.494 13.460 3.619 49 HE3 LYS 21 HE1 LYS 21 -5.850 14.007 2.074 50 HZ1 LYS 21 HZ1 LYS 21 -8.519 14.602 3.222 51 HZ2 LYS 21 HZ2 LYS 21 -8.111 14.930 1.616 52 HZ3 LYS 21 HZ3 LYS 21 -7.276 15.703 2.872 53 H VAL 22 HN VAL 22 -6.106 6.586 1.531 54 HA VAL 22 HA VAL 22 -7.267 5.751 -1.020 55 HB VAL 22 HB VAL 22 -6.198 4.209 1.346 56 HG11 VAL 22 HG11 VAL 22 -7.954 2.820 0.758 57 HG12 VAL 22 HG12 VAL 22 -6.635 2.204 -0.241 58 HG13 VAL 22 HG13 VAL 22 -7.860 3.256 -0.947 59 HG21 VAL 22 HG21 VAL 22 -4.551 5.121 -0.218 60 HG22 VAL 22 HG22 VAL 22 -5.358 4.288 -1.546 61 HG23 VAL 22 HG23 VAL 22 -4.587 3.357 -0.262 62 H ALA 23 HN ALA 23 -9.405 5.573 -1.241 63 HA ALA 23 HA ALA 23 -11.041 5.627 1.205 64 HB1 ALA 23 HB1 ALA 23 -11.783 6.500 -1.584 65 HB2 ALA 23 HB2 ALA 23 -11.311 7.568 -0.262 66 HB3 ALA 23 HB3 ALA 23 -12.798 6.624 -0.149 67 H GLY 24 HN GLY 24 -11.889 3.764 1.750 68 HA2 GLY 24 HA2 GLY 24 -12.333 1.689 -0.244 69 HA3 GLY 24 HA1 GLY 24 -12.487 1.520 1.500 70 H GLN 25 HN GLN 25 -14.387 0.430 -0.133 71 HA GLN 25 HA GLN 25 -16.599 2.251 -0.474 72 HB2 GLN 25 HB2 GLN 25 -16.654 -0.766 -0.630 73 HB3 GLN 25 HB1 GLN 25 -17.827 0.353 -1.309 74 HG2 GLN 25 HG2 GLN 25 -14.989 -0.079 -2.194 75 HG3 GLN 25 HG1 GLN 25 -16.462 -0.465 -3.080 76 HE21 GLN 25 HE21 GLN 25 -14.118 1.272 -3.664 77 HE22 GLN 25 HE22 GLN 25 -14.794 2.815 -4.067 78 H ASP 26 HN ASP 26 -15.302 0.597 2.117 79 HA ASP 26 HA ASP 26 -17.840 0.199 3.496 80 HB2 ASP 26 HB2 ASP 26 -16.502 -0.827 5.252 81 HB3 ASP 26 HB1 ASP 26 -16.062 -1.508 3.687 82 H GLY 27 HN GLY 27 -15.682 2.698 3.016 83 HA2 GLY 27 HA2 GLY 27 -16.084 4.872 3.901 84 HA3 GLY 27 HA1 GLY 27 -16.784 4.132 5.331 85 H SER 28 HN SER 28 -13.988 2.511 4.584 86 HA SER 28 HA SER 28 -12.586 3.580 6.839 87 HB2 SER 28 HB2 SER 28 -10.776 2.003 6.035 88 HB3 SER 28 HB1 SER 28 -12.336 1.245 6.357 89 HG SER 28 HG SER 28 -12.541 0.768 4.297 90 H VAL 29 HN VAL 29 -10.705 4.811 6.863 91 HA VAL 29 HA VAL 29 -9.914 6.001 4.291 92 HB VAL 29 HB VAL 29 -11.025 7.738 5.489 93 HG11 VAL 29 HG11 VAL 29 -9.298 7.101 7.876 94 HG12 VAL 29 HG12 VAL 29 -11.013 6.735 7.713 95 HG13 VAL 29 HG13 VAL 29 -10.472 8.412 7.762 96 HG21 VAL 29 HG21 VAL 29 -9.248 9.378 5.841 97 HG22 VAL 29 HG22 VAL 29 -8.962 8.419 4.389 98 HG23 VAL 29 HG23 VAL 29 -8.054 8.082 5.863 99 H VAL 30 HN VAL 30 -7.988 5.283 3.733 100 HA VAL 30 HA VAL 30 -6.034 4.729 5.867 101 HB VAL 30 HB VAL 30 -6.063 3.562 3.081 102 HG11 VAL 30 HG11 VAL 30 -4.407 2.850 5.495 103 HG12 VAL 30 HG12 VAL 30 -3.834 3.702 4.061 104 HG13 VAL 30 HG13 VAL 30 -4.372 2.026 3.935 105 HG21 VAL 30 HG21 VAL 30 -6.722 1.448 4.216 106 HG22 VAL 30 HG22 VAL 30 -7.961 2.704 4.281 107 HG23 VAL 30 HG23 VAL 30 -6.966 2.372 5.698 108 H GLN 31 HN GLN 31 -4.321 5.965 5.977 109 HA GLN 31 HA GLN 31 -3.765 7.869 3.824 110 HB2 GLN 31 HB2 GLN 31 -4.051 8.557 6.268 111 HB3 GLN 31 HB1 GLN 31 -2.508 7.776 6.567 112 HG2 GLN 31 HG2 GLN 31 -1.384 9.302 5.096 113 HG3 GLN 31 HG1 GLN 31 -2.918 10.019 4.604 114 HE21 GLN 31 HE21 GLN 31 -0.545 11.209 5.861 115 HE22 GLN 31 HE22 GLN 31 -1.121 11.976 7.302 116 H PHE 32 HN PHE 32 -2.360 7.230 2.359 117 HA PHE 32 HA PHE 32 -0.271 5.298 3.064 118 HB2 PHE 32 HB2 PHE 32 -1.760 6.009 0.627 119 HB3 PHE 32 HB1 PHE 32 -0.042 5.723 0.370 120 HD1 PHE 32 HD1 PHE 32 -3.148 4.213 1.698 121 HD2 PHE 32 HD2 PHE 32 0.831 3.555 0.355 122 HE1 PHE 32 HE1 PHE 32 -3.556 1.785 1.688 123 HE2 PHE 32 HE2 PHE 32 0.435 1.128 0.343 124 HZ PHE 32 HZ PHE 32 -1.766 0.242 1.008 125 H LYS 33 HN LYS 33 1.536 6.216 3.789 126 HA LYS 33 HA LYS 33 2.416 8.778 2.697 127 HB2 LYS 33 HB2 LYS 33 2.481 8.568 5.121 128 HB3 LYS 33 HB1 LYS 33 3.450 7.103 4.997 129 HG2 LYS 33 HG2 LYS 33 5.336 8.306 4.225 130 HG3 LYS 33 HG1 LYS 33 4.385 9.775 3.986 131 HD2 LYS 33 HD2 LYS 33 4.043 9.965 6.385 132 HD3 LYS 33 HD1 LYS 33 4.919 8.454 6.647 133 HE2 LYS 33 HE2 LYS 33 6.953 9.431 5.829 134 HE3 LYS 33 HE1 LYS 33 6.110 10.900 5.348 135 HZ1 LYS 33 HZ1 LYS 33 7.291 11.232 7.402 136 HZ2 LYS 33 HZ2 LYS 33 6.488 9.931 8.127 137 HZ3 LYS 33 HZ3 LYS 33 5.627 11.319 7.692 138 H ILE 34 HN ILE 34 3.350 8.488 0.759 139 HA ILE 34 HA ILE 34 5.593 6.587 0.619 140 HB ILE 34 HB ILE 34 4.791 5.425 -1.133 141 HG12 ILE 34 HG12 ILE 34 3.546 7.924 -2.293 142 HG13 ILE 34 HG11 ILE 34 5.153 7.313 -2.676 143 HG21 ILE 34 HG21 ILE 34 2.853 5.405 0.337 144 HG22 ILE 34 HG22 ILE 34 2.372 5.286 -1.352 145 HG23 ILE 34 HG23 ILE 34 2.200 6.813 -0.489 146 HD11 ILE 34 HD11 ILE 34 2.524 5.984 -3.273 147 HD12 ILE 34 HD12 ILE 34 4.102 5.244 -3.542 148 HD13 ILE 34 HD13 ILE 34 3.649 6.698 -4.429 149 H LYS 35 HN LYS 35 7.004 7.106 -1.364 150 HA LYS 35 HA LYS 35 7.398 9.995 -1.397 151 HB2 LYS 35 HB2 LYS 35 9.114 7.631 -2.034 152 HB3 LYS 35 HB1 LYS 35 9.520 9.198 -2.726 153 HG2 LYS 35 HG2 LYS 35 10.210 10.039 -0.762 154 HG3 LYS 35 HG1 LYS 35 8.963 9.196 0.160 155 HD2 LYS 35 HD2 LYS 35 10.212 7.165 0.134 156 HD3 LYS 35 HD1 LYS 35 11.367 7.825 -1.026 157 HE2 LYS 35 HE2 LYS 35 12.212 9.365 0.586 158 HE3 LYS 35 HE1 LYS 35 10.929 8.959 1.725 159 HZ1 LYS 35 HZ1 LYS 35 11.857 6.845 2.105 160 HZ2 LYS 35 HZ2 LYS 35 13.162 7.929 2.151 161 HZ3 LYS 35 HZ3 LYS 35 12.907 6.974 0.779 162 H ARG 36 HN ARG 36 7.779 11.118 -3.402 163 HA ARG 36 HA ARG 36 5.795 10.581 -5.326 164 HB2 ARG 36 HB2 ARG 36 8.186 12.419 -5.551 165 HB3 ARG 36 HB1 ARG 36 6.751 12.463 -6.567 166 HG2 ARG 36 HG2 ARG 36 5.399 12.937 -4.536 167 HG3 ARG 36 HG1 ARG 36 6.901 13.048 -3.620 168 HD2 ARG 36 HD2 ARG 36 6.253 15.264 -4.196 169 HD3 ARG 36 HD1 ARG 36 7.638 14.838 -5.202 170 HE ARG 36 HE ARG 36 6.147 14.576 -7.061 171 HH11 ARG 36 HH11 ARG 36 4.730 16.087 -4.227 172 HH12 ARG 36 HH12 ARG 36 3.429 16.825 -5.118 173 HH21 ARG 36 HH21 ARG 36 4.425 15.528 -8.220 174 HH22 ARG 36 HH22 ARG 36 3.255 16.495 -7.375 175 H HIS 37 HN HIS 37 9.102 9.581 -5.090 176 HA HIS 37 HA HIS 37 9.155 8.717 -7.875 177 HB2 HIS 37 HB2 HIS 37 11.495 8.140 -7.474 178 HB3 HIS 37 HB1 HIS 37 11.170 9.789 -6.964 179 HD2 HIS 37 HD2 HIS 37 11.871 10.368 -4.420 180 HE1 HIS 37 HE1 HIS 37 12.637 6.393 -3.186 181 HE2 HIS 37 HE2 HIS 37 12.793 8.837 -2.536 182 H THR 38 HN THR 38 7.955 7.540 -5.079 183 HA THR 38 HA THR 38 8.818 4.798 -5.328 184 HB THR 38 HB THR 38 6.760 6.092 -3.535 185 HG1 THR 38 HG1 THR 38 9.417 6.014 -3.467 186 HG21 THR 38 HG21 THR 38 7.143 3.332 -4.147 187 HG22 THR 38 HG22 THR 38 6.052 4.054 -2.965 188 HG23 THR 38 HG23 THR 38 7.695 3.617 -2.496 189 HA PRO 39 HA PRO 39 5.782 3.820 -8.478 190 HB2 PRO 39 HB2 PRO 39 6.379 1.078 -7.502 191 HB3 PRO 39 HB1 PRO 39 6.418 1.721 -9.150 192 HG2 PRO 39 HG2 PRO 39 8.678 1.240 -7.854 193 HG3 PRO 39 HG1 PRO 39 8.505 2.661 -8.902 194 HD2 PRO 39 HD2 PRO 39 8.467 2.500 -5.925 195 HD3 PRO 39 HD1 PRO 39 9.141 3.754 -6.986 196 H LEU 40 HN LEU 40 3.635 3.453 -8.434 197 HA LEU 40 HA LEU 40 2.334 3.247 -5.898 198 HB2 LEU 40 HB2 LEU 40 1.239 3.225 -8.710 199 HB3 LEU 40 HB1 LEU 40 0.252 3.300 -7.262 200 HG LEU 40 HG LEU 40 2.348 5.380 -7.847 201 HD11 LEU 40 HD11 LEU 40 0.889 5.370 -9.765 202 HD12 LEU 40 HD12 LEU 40 0.522 6.769 -8.756 203 HD13 LEU 40 HD13 LEU 40 -0.534 5.358 -8.726 204 HD21 LEU 40 HD21 LEU 40 -0.119 5.305 -6.117 205 HD22 LEU 40 HD22 LEU 40 0.860 6.743 -6.406 206 HD23 LEU 40 HD23 LEU 40 1.560 5.351 -5.579 207 H SER 41 HN SER 41 3.746 0.914 -7.694 208 HA SER 41 HA SER 41 1.857 -1.159 -7.781 209 HB2 SER 41 HB2 SER 41 4.284 -2.422 -7.451 210 HB3 SER 41 HB1 SER 41 3.622 -1.876 -8.994 211 HG SER 41 HG SER 41 5.538 -0.880 -8.928 212 H LYS 42 HN LYS 42 4.116 -0.097 -5.263 213 HA LYS 42 HA LYS 42 3.579 -2.285 -3.513 214 HB2 LYS 42 HB2 LYS 42 4.371 0.187 -2.167 215 HB3 LYS 42 HB1 LYS 42 5.137 -1.390 -2.161 216 HG2 LYS 42 HG2 LYS 42 6.200 -0.866 -4.312 217 HG3 LYS 42 HG1 LYS 42 5.449 0.733 -4.274 218 HD2 LYS 42 HD2 LYS 42 7.712 0.926 -3.480 219 HD3 LYS 42 HD1 LYS 42 6.612 1.175 -2.116 220 HE2 LYS 42 HE2 LYS 42 7.418 -0.617 -1.026 221 HE3 LYS 42 HE1 LYS 42 7.367 -1.623 -2.473 222 HZ1 LYS 42 HZ1 LYS 42 9.598 -1.526 -2.052 223 HZ2 LYS 42 HZ2 LYS 42 9.554 0.052 -1.450 224 HZ3 LYS 42 HZ3 LYS 42 9.441 -0.221 -3.120 225 H LEU 43 HN LEU 43 2.095 0.810 -4.100 226 HA LEU 43 HA LEU 43 0.623 1.107 -1.731 227 HB2 LEU 43 HB2 LEU 43 1.009 2.754 -3.677 228 HB3 LEU 43 HB1 LEU 43 -0.367 1.975 -4.433 229 HG LEU 43 HG LEU 43 -0.788 2.936 -1.666 230 HD11 LEU 43 HD11 LEU 43 0.551 4.752 -2.584 231 HD12 LEU 43 HD12 LEU 43 -1.131 5.242 -2.388 232 HD13 LEU 43 HD13 LEU 43 -0.512 4.836 -3.989 233 HD21 LEU 43 HD21 LEU 43 -2.385 3.140 -4.214 234 HD22 LEU 43 HD22 LEU 43 -2.944 3.588 -2.603 235 HD23 LEU 43 HD23 LEU 43 -2.576 1.901 -2.972 236 H MET 44 HN MET 44 -0.215 -0.479 -4.788 237 HA MET 44 HA MET 44 -2.829 -1.231 -3.980 238 HB2 MET 44 HB2 MET 44 -1.033 -2.383 -6.126 239 HB3 MET 44 HB1 MET 44 -2.736 -2.772 -5.929 240 HG2 MET 44 HG2 MET 44 -3.290 -0.400 -6.305 241 HG3 MET 44 HG1 MET 44 -1.583 -0.071 -6.590 242 HE1 MET 44 HE1 MET 44 -0.848 -1.922 -9.908 243 HE2 MET 44 HE2 MET 44 -0.546 -2.510 -8.275 244 HE3 MET 44 HE3 MET 44 -0.243 -0.819 -8.671 245 H LYS 45 HN LYS 45 0.281 -2.923 -4.028 246 HA LYS 45 HA LYS 45 -0.712 -5.408 -3.129 247 HB2 LYS 45 HB2 LYS 45 2.061 -4.221 -3.061 248 HB3 LYS 45 HB1 LYS 45 1.701 -5.872 -2.579 249 HG2 LYS 45 HG2 LYS 45 0.755 -6.257 -4.853 250 HG3 LYS 45 HG1 LYS 45 1.342 -4.659 -5.306 251 HD2 LYS 45 HD2 LYS 45 3.129 -6.812 -4.194 252 HD3 LYS 45 HD1 LYS 45 2.837 -6.601 -5.920 253 HE2 LYS 45 HE2 LYS 45 3.610 -4.219 -5.646 254 HE3 LYS 45 HE1 LYS 45 4.125 -4.655 -4.017 255 HZ1 LYS 45 HZ1 LYS 45 5.087 -5.938 -6.515 256 HZ2 LYS 45 HZ2 LYS 45 5.602 -6.309 -4.952 257 HZ3 LYS 45 HZ3 LYS 45 5.943 -4.792 -5.613 258 H ALA 46 HN ALA 46 0.808 -2.710 -1.358 259 HA ALA 46 HA ALA 46 0.960 -3.922 1.145 260 HB1 ALA 46 HB1 ALA 46 2.024 -1.779 0.596 261 HB2 ALA 46 HB2 ALA 46 1.077 -1.685 2.080 262 HB3 ALA 46 HB3 ALA 46 0.442 -1.006 0.582 263 H TYR 47 HN TYR 47 -1.711 -2.047 -0.268 264 HA TYR 47 HA TYR 47 -3.346 -2.263 2.047 265 HB2 TYR 47 HB2 TYR 47 -3.632 -0.467 0.380 266 HB3 TYR 47 HB1 TYR 47 -4.165 -1.659 -0.804 267 HD1 TYR 47 HD1 TYR 47 -6.445 -1.834 -1.122 268 HD2 TYR 47 HD2 TYR 47 -5.007 -0.633 2.702 269 HE1 TYR 47 HE1 TYR 47 -8.764 -1.586 -0.330 270 HE2 TYR 47 HE2 TYR 47 -7.318 -0.379 3.498 271 HH TYR 47 HH TYR 47 -10.026 -1.516 1.697 272 H CYS 48 HN CYS 48 -3.056 -4.167 -0.927 273 HA CYS 48 HA CYS 48 -5.362 -5.744 -0.452 274 HB2 CYS 48 HB2 CYS 48 -4.749 -6.998 -2.305 275 HB3 CYS 48 HB1 CYS 48 -3.986 -5.450 -2.633 276 HG CYS 48 HG CYS 48 -1.507 -6.559 -1.391 277 H GLU 49 HN GLU 49 -2.006 -6.030 0.544 278 HA GLU 49 HA GLU 49 -2.206 -8.682 1.542 279 HB2 GLU 49 HB2 GLU 49 -0.271 -6.436 2.048 280 HB3 GLU 49 HB1 GLU 49 -0.137 -7.980 2.880 281 HG2 GLU 49 HG2 GLU 49 0.083 -7.455 -0.071 282 HG3 GLU 49 HG1 GLU 49 1.344 -8.017 1.026 283 H ARG 50 HN ARG 50 -2.663 -5.488 2.985 284 HA ARG 50 HA ARG 50 -2.964 -6.417 5.644 285 HB2 ARG 50 HB2 ARG 50 -3.752 -3.867 4.260 286 HB3 ARG 50 HB1 ARG 50 -4.214 -4.170 5.929 287 HG2 ARG 50 HG2 ARG 50 -1.631 -4.704 6.158 288 HG3 ARG 50 HG1 ARG 50 -1.543 -3.624 4.767 289 HD2 ARG 50 HD2 ARG 50 -2.859 -1.950 6.073 290 HD3 ARG 50 HD1 ARG 50 -2.736 -3.018 7.472 291 HE ARG 50 HE ARG 50 -0.163 -2.521 6.432 292 HH11 ARG 50 HH11 ARG 50 -1.628 0.188 9.018 293 HH12 ARG 50 HH12 ARG 50 -2.712 -0.900 8.211 294 HH21 ARG 50 HH21 ARG 50 1.256 -1.088 7.484 295 HH22 ARG 50 HH22 ARG 50 0.628 0.080 8.602 296 H GLN 51 HN GLN 51 -5.190 -5.985 2.976 297 HA GLN 51 HA GLN 51 -7.537 -6.516 4.554 298 HB2 GLN 51 HB2 GLN 51 -7.147 -6.498 1.553 299 HB3 GLN 51 HB1 GLN 51 -8.698 -6.625 2.369 300 HG2 GLN 51 HG2 GLN 51 -6.808 -4.291 2.467 301 HG3 GLN 51 HG1 GLN 51 -8.341 -4.369 1.603 302 HE21 GLN 51 HE21 GLN 51 -10.271 -4.307 2.790 303 HE22 GLN 51 HE22 GLN 51 -10.310 -3.716 4.414 304 H GLY 52 HN GLY 52 -5.269 -8.348 2.630 305 HA2 GLY 52 HA2 GLY 52 -4.879 -10.647 2.820 306 HA3 GLY 52 HA1 GLY 52 -6.410 -10.816 3.668 307 H LEU 53 HN LEU 53 -6.002 -9.165 0.602 308 HA LEU 53 HA LEU 53 -7.428 -11.366 -0.733 309 HB2 LEU 53 HB2 LEU 53 -7.933 -8.413 -1.103 310 HB3 LEU 53 HB1 LEU 53 -8.674 -9.692 -2.046 311 HG LEU 53 HG LEU 53 -9.051 -9.327 0.929 312 HD11 LEU 53 HD11 LEU 53 -10.015 -7.470 -0.349 313 HD12 LEU 53 HD12 LEU 53 -11.262 -8.486 0.374 314 HD13 LEU 53 HD13 LEU 53 -10.899 -8.624 -1.347 315 HD21 LEU 53 HD21 LEU 53 -9.326 -11.631 0.187 316 HD22 LEU 53 HD22 LEU 53 -10.446 -11.106 -1.068 317 HD23 LEU 53 HD23 LEU 53 -10.879 -10.925 0.631 318 H SER 54 HN SER 54 -7.053 -11.553 -2.993 319 HA SER 54 HA SER 54 -4.362 -11.059 -3.737 320 HB2 SER 54 HB2 SER 54 -5.520 -13.014 -4.595 321 HB3 SER 54 HB1 SER 54 -6.741 -11.995 -5.362 322 HG SER 54 HG SER 54 -4.435 -12.817 -6.373 323 H MET 55 HN MET 55 -3.537 -9.669 -5.317 324 HA MET 55 HA MET 55 -4.703 -7.104 -5.418 325 HB2 MET 55 HB2 MET 55 -2.246 -7.647 -5.591 326 HB3 MET 55 HB1 MET 55 -2.543 -8.153 -7.248 327 HG2 MET 55 HG2 MET 55 -3.296 -5.916 -7.818 328 HG3 MET 55 HG1 MET 55 -3.067 -5.397 -6.150 329 HE1 MET 55 HE1 MET 55 -0.781 -7.679 -8.498 330 HE2 MET 55 HE2 MET 55 0.296 -6.437 -9.129 331 HE3 MET 55 HE3 MET 55 -1.422 -6.386 -9.512 332 H ARG 56 HN ARG 56 -5.180 -9.895 -7.337 333 HA ARG 56 HA ARG 56 -6.083 -8.468 -9.681 334 HB2 ARG 56 HB2 ARG 56 -5.038 -10.716 -9.833 335 HB3 ARG 56 HB1 ARG 56 -6.425 -11.395 -8.994 336 HG2 ARG 56 HG2 ARG 56 -7.860 -10.984 -10.796 337 HG3 ARG 56 HG1 ARG 56 -6.737 -9.850 -11.543 338 HD2 ARG 56 HD2 ARG 56 -5.191 -11.689 -12.006 339 HD3 ARG 56 HD1 ARG 56 -6.322 -12.825 -11.270 340 HE ARG 56 HE ARG 56 -7.737 -12.592 -13.118 341 HH11 ARG 56 HH11 ARG 56 -4.879 -10.558 -13.423 342 HH12 ARG 56 HH12 ARG 56 -5.114 -10.279 -15.118 343 HH21 ARG 56 HH21 ARG 56 -8.011 -12.233 -15.353 344 HH22 ARG 56 HH22 ARG 56 -6.886 -11.232 -16.213 345 H GLN 57 HN GLN 57 -7.426 -9.357 -6.691 346 HA GLN 57 HA GLN 57 -10.154 -9.539 -7.650 347 HB2 GLN 57 HB2 GLN 57 -9.408 -10.887 -5.724 348 HB3 GLN 57 HB1 GLN 57 -9.075 -9.412 -4.827 349 HG2 GLN 57 HG2 GLN 57 -11.449 -8.821 -4.933 350 HG3 GLN 57 HG1 GLN 57 -11.775 -10.318 -5.805 351 HE21 GLN 57 HE21 GLN 57 -12.818 -9.389 -3.253 352 HE22 GLN 57 HE22 GLN 57 -12.395 -10.611 -2.099 353 H ILE 58 HN ILE 58 -8.026 -7.158 -6.274 354 HA ILE 58 HA ILE 58 -10.215 -5.282 -5.847 355 HB ILE 58 HB ILE 58 -8.280 -3.759 -5.097 356 HG12 ILE 58 HG12 ILE 58 -6.803 -6.350 -4.734 357 HG13 ILE 58 HG11 ILE 58 -6.617 -5.427 -6.220 358 HG21 ILE 58 HG21 ILE 58 -8.886 -6.281 -3.561 359 HG22 ILE 58 HG22 ILE 58 -9.871 -4.818 -3.578 360 HG23 ILE 58 HG23 ILE 58 -8.249 -4.783 -2.885 361 HD11 ILE 58 HD11 ILE 58 -6.102 -4.327 -3.474 362 HD12 ILE 58 HD12 ILE 58 -5.749 -3.558 -5.022 363 HD13 ILE 58 HD13 ILE 58 -4.865 -5.001 -4.532 364 H ARG 59 HN ARG 59 -10.230 -3.194 -6.776 365 HA ARG 59 HA ARG 59 -8.662 -2.917 -9.254 366 HB2 ARG 59 HB2 ARG 59 -11.605 -2.403 -8.832 367 HB3 ARG 59 HB1 ARG 59 -10.715 -1.745 -10.196 368 HG2 ARG 59 HG2 ARG 59 -10.943 -4.678 -9.573 369 HG3 ARG 59 HG1 ARG 59 -11.969 -3.812 -10.715 370 HD2 ARG 59 HD2 ARG 59 -10.090 -3.277 -12.101 371 HD3 ARG 59 HD1 ARG 59 -8.967 -3.932 -10.915 372 HE ARG 59 HE ARG 59 -10.757 -5.473 -12.650 373 HH11 ARG 59 HH11 ARG 59 -8.153 -5.379 -10.302 374 HH12 ARG 59 HH12 ARG 59 -7.693 -7.027 -10.571 375 HH21 ARG 59 HH21 ARG 59 -10.145 -7.644 -13.001 376 HH22 ARG 59 HH22 ARG 59 -8.825 -8.318 -12.097 377 H PHE 60 HN PHE 60 -7.350 -1.241 -8.996 378 HA PHE 60 HA PHE 60 -8.138 0.944 -7.227 379 HB2 PHE 60 HB2 PHE 60 -5.576 -0.134 -8.251 380 HB3 PHE 60 HB1 PHE 60 -5.640 1.604 -7.987 381 HD1 PHE 60 HD1 PHE 60 -6.266 -1.646 -6.299 382 HD2 PHE 60 HD2 PHE 60 -5.329 2.478 -5.863 383 HE1 PHE 60 HE1 PHE 60 -5.850 -1.992 -3.900 384 HE2 PHE 60 HE2 PHE 60 -4.912 2.138 -3.463 385 HZ PHE 60 HZ PHE 60 -5.173 -0.104 -2.477 386 H ARG 61 HN ARG 61 -8.631 2.942 -7.896 387 HA ARG 61 HA ARG 61 -8.154 3.636 -10.716 388 HB2 ARG 61 HB2 ARG 61 -10.733 3.785 -9.186 389 HB3 ARG 61 HB1 ARG 61 -10.423 4.869 -10.527 390 HG2 ARG 61 HG2 ARG 61 -9.987 2.786 -11.914 391 HG3 ARG 61 HG1 ARG 61 -10.710 1.886 -10.581 392 HD2 ARG 61 HD2 ARG 61 -12.744 3.240 -10.779 393 HD3 ARG 61 HD1 ARG 61 -12.016 4.135 -12.110 394 HE ARG 61 HE ARG 61 -12.311 1.241 -12.390 395 HH11 ARG 61 HH11 ARG 61 -14.256 3.932 -14.664 396 HH12 ARG 61 HH12 ARG 61 -13.379 4.464 -13.266 397 HH21 ARG 61 HH21 ARG 61 -13.479 0.541 -14.215 398 HH22 ARG 61 HH22 ARG 61 -14.314 1.693 -15.204 399 H PHE 62 HN PHE 62 -7.868 5.808 -11.158 400 HA PHE 62 HA PHE 62 -7.935 7.723 -8.962 401 HB2 PHE 62 HB2 PHE 62 -5.656 7.113 -8.755 402 HB3 PHE 62 HB1 PHE 62 -5.449 6.972 -10.498 403 HD1 PHE 62 HD1 PHE 62 -6.425 9.568 -7.986 404 HD2 PHE 62 HD2 PHE 62 -4.282 8.642 -11.551 405 HE1 PHE 62 HE1 PHE 62 -5.598 11.886 -8.092 406 HE2 PHE 62 HE2 PHE 62 -3.451 10.951 -11.653 407 HZ PHE 62 HZ PHE 62 -4.106 12.579 -9.925 408 H ASP 63 HN ASP 63 -8.848 9.536 -9.650 409 HA ASP 63 HA ASP 63 -9.710 11.156 -10.990 410 HB2 ASP 63 HB2 ASP 63 -7.206 11.320 -11.590 411 HB3 ASP 63 HB1 ASP 63 -7.634 10.467 -13.069 412 H GLY 64 HN GLY 64 -10.638 8.422 -11.167 413 HA2 GLY 64 HA2 GLY 64 -12.432 7.489 -12.297 414 HA3 GLY 64 HA1 GLY 64 -12.240 8.697 -13.554 415 H GLN 65 HN GLN 65 -9.245 7.726 -13.428 416 HA GLN 65 HA GLN 65 -9.677 5.653 -15.455 417 HB2 GLN 65 HB2 GLN 65 -7.026 6.955 -14.991 418 HB3 GLN 65 HB1 GLN 65 -7.713 6.333 -16.484 419 HG2 GLN 65 HG2 GLN 65 -8.629 8.828 -15.073 420 HG3 GLN 65 HG1 GLN 65 -7.527 8.788 -16.447 421 HE21 GLN 65 HE21 GLN 65 -10.250 9.924 -16.012 422 HE22 GLN 65 HE22 GLN 65 -11.193 9.326 -17.332 423 HA PRO 66 HA PRO 66 -8.131 2.511 -12.708 424 HB2 PRO 66 HB2 PRO 66 -7.108 1.225 -15.176 425 HB3 PRO 66 HB1 PRO 66 -8.241 0.598 -13.971 426 HG2 PRO 66 HG2 PRO 66 -9.093 1.338 -16.378 427 HG3 PRO 66 HG1 PRO 66 -10.063 1.642 -14.923 428 HD2 PRO 66 HD2 PRO 66 -8.381 3.543 -16.496 429 HD3 PRO 66 HD1 PRO 66 -9.966 3.796 -15.736 430 H ILE 67 HN ILE 67 -6.181 2.009 -11.742 431 HA ILE 67 HA ILE 67 -3.894 3.532 -12.649 432 HB ILE 67 HB ILE 67 -4.095 1.727 -10.233 433 HG12 ILE 67 HG12 ILE 67 -4.608 4.695 -10.526 434 HG13 ILE 67 HG11 ILE 67 -5.778 3.464 -10.068 435 HG21 ILE 67 HG21 ILE 67 -2.178 2.988 -9.405 436 HG22 ILE 67 HG22 ILE 67 -2.158 3.947 -10.884 437 HG23 ILE 67 HG23 ILE 67 -1.804 2.221 -10.949 438 HD11 ILE 67 HD11 ILE 67 -4.334 3.036 -8.042 439 HD12 ILE 67 HD12 ILE 67 -5.187 4.579 -8.092 440 HD13 ILE 67 HD13 ILE 67 -3.467 4.509 -8.473 441 H ASN 68 HN ASN 68 -2.012 2.747 -13.406 442 HA ASN 68 HA ASN 68 -2.030 0.077 -14.524 443 HB2 ASN 68 HB2 ASN 68 -0.087 2.385 -14.705 444 HB3 ASN 68 HB1 ASN 68 0.199 0.828 -15.475 445 HD21 ASN 68 HD21 ASN 68 -0.525 3.764 -16.260 446 HD22 ASN 68 HD22 ASN 68 -1.672 3.517 -17.540 447 H GLU 69 HN GLU 69 0.272 -1.029 -14.431 448 HA GLU 69 HA GLU 69 0.866 -1.354 -11.578 449 HB2 GLU 69 HB2 GLU 69 1.220 -3.104 -13.991 450 HB3 GLU 69 HB1 GLU 69 2.113 -3.426 -12.513 451 HG2 GLU 69 HG2 GLU 69 0.168 -3.876 -11.295 452 HG3 GLU 69 HG1 GLU 69 -0.869 -3.144 -12.517 453 H THR 70 HN THR 70 2.018 0.413 -14.040 454 HA THR 70 HA THR 70 4.752 0.391 -12.970 455 HB THR 70 HB THR 70 4.337 0.900 -15.894 456 HG1 THR 70 HG1 THR 70 4.666 -1.695 -14.740 457 HG21 THR 70 HG21 THR 70 6.597 -0.354 -14.327 458 HG22 THR 70 HG22 THR 70 6.522 1.329 -14.842 459 HG23 THR 70 HG23 THR 70 6.616 0.044 -16.045 460 H ASP 71 HN ASP 71 2.971 2.169 -12.023 461 HA ASP 71 HA ASP 71 3.738 4.671 -13.372 462 HB2 ASP 71 HB2 ASP 71 1.040 3.702 -12.687 463 HB3 ASP 71 HB1 ASP 71 1.373 5.364 -12.210 464 H THR 72 HN THR 72 4.016 6.472 -12.060 465 HA THR 72 HA THR 72 4.239 5.929 -9.173 466 HB THR 72 HB THR 72 6.111 7.681 -9.252 467 HG1 THR 72 HG1 THR 72 7.172 7.646 -11.404 468 HG21 THR 72 HG21 THR 72 6.380 4.938 -10.442 469 HG22 THR 72 HG22 THR 72 6.784 5.482 -8.813 470 HG23 THR 72 HG23 THR 72 7.780 5.977 -10.181 471 HA PRO 73 HA PRO 73 1.719 9.496 -8.420 472 HB2 PRO 73 HB2 PRO 73 3.787 10.609 -6.615 473 HB3 PRO 73 HB1 PRO 73 2.108 10.172 -6.266 474 HG2 PRO 73 HG2 PRO 73 4.124 8.679 -5.369 475 HG3 PRO 73 HG1 PRO 73 2.600 7.953 -5.914 476 HD2 PRO 73 HD2 PRO 73 5.226 8.097 -7.319 477 HD3 PRO 73 HD1 PRO 73 4.038 6.780 -7.280 478 H ALA 74 HN ALA 74 5.135 10.032 -9.026 479 HA ALA 74 HA ALA 74 4.875 12.791 -9.726 480 HB1 ALA 74 HB1 ALA 74 7.188 12.602 -10.481 481 HB2 ALA 74 HB2 ALA 74 7.105 10.849 -10.318 482 HB3 ALA 74 HB3 ALA 74 6.979 11.873 -8.889 483 H GLN 75 HN GLN 75 4.861 9.743 -11.500 484 HA GLN 75 HA GLN 75 4.981 10.987 -14.077 485 HB2 GLN 75 HB2 GLN 75 5.728 8.635 -13.571 486 HB3 GLN 75 HB1 GLN 75 4.032 8.194 -13.438 487 HG2 GLN 75 HG2 GLN 75 4.992 7.638 -15.624 488 HG3 GLN 75 HG1 GLN 75 3.646 8.769 -15.740 489 HE21 GLN 75 HE21 GLN 75 4.216 9.670 -17.660 490 HE22 GLN 75 HE22 GLN 75 5.633 10.640 -17.881 491 H LEU 76 HN LEU 76 2.437 10.051 -11.881 492 HA LEU 76 HA LEU 76 0.393 10.507 -13.904 493 HB2 LEU 76 HB2 LEU 76 0.248 9.671 -11.016 494 HB3 LEU 76 HB1 LEU 76 -1.175 10.005 -11.982 495 HG LEU 76 HG LEU 76 0.855 7.830 -12.507 496 HD11 LEU 76 HD11 LEU 76 -0.629 7.409 -10.592 497 HD12 LEU 76 HD12 LEU 76 -0.944 6.311 -11.934 498 HD13 LEU 76 HD13 LEU 76 -2.027 7.669 -11.633 499 HD21 LEU 76 HD21 LEU 76 -1.669 8.559 -13.989 500 HD22 LEU 76 HD22 LEU 76 -0.708 7.110 -14.265 501 HD23 LEU 76 HD23 LEU 76 -0.021 8.698 -14.600 502 H GLU 77 HN GLU 77 2.236 12.407 -12.005 503 HA GLU 77 HA GLU 77 2.164 14.541 -11.256 504 HB2 GLU 77 HB2 GLU 77 -0.205 14.812 -13.112 505 HB3 GLU 77 HB1 GLU 77 0.773 16.124 -12.469 506 HG2 GLU 77 HG2 GLU 77 1.935 13.946 -14.170 507 HG3 GLU 77 HG1 GLU 77 1.207 15.392 -14.861 508 H MET 78 HN MET 78 1.166 12.933 -9.445 509 HA MET 78 HA MET 78 -1.460 13.910 -8.613 510 HB2 MET 78 HB2 MET 78 0.329 11.796 -7.390 511 HB3 MET 78 HB1 MET 78 -1.291 12.200 -6.844 512 HG2 MET 78 HG2 MET 78 -2.177 11.502 -9.027 513 HG3 MET 78 HG1 MET 78 -0.550 11.030 -9.511 514 HE1 MET 78 HE1 MET 78 -3.525 10.403 -7.096 515 HE2 MET 78 HE2 MET 78 -2.215 10.597 -5.931 516 HE3 MET 78 HE3 MET 78 -2.979 9.023 -6.142 517 H GLU 79 HN GLU 79 -1.801 14.818 -6.529 518 HA GLU 79 HA GLU 79 0.623 16.002 -5.347 519 HB2 GLU 79 HB2 GLU 79 -1.690 17.301 -6.406 520 HB3 GLU 79 HB1 GLU 79 -1.658 17.563 -4.666 521 HG2 GLU 79 HG2 GLU 79 0.318 18.396 -6.742 522 HG3 GLU 79 HG1 GLU 79 -0.459 19.358 -5.484 523 H ASP 80 HN ASP 80 -0.008 16.855 -3.021 524 HA ASP 80 HA ASP 80 -0.558 14.526 -1.490 525 HB2 ASP 80 HB2 ASP 80 0.872 16.616 -0.887 526 HB3 ASP 80 HB1 ASP 80 -0.654 17.304 -0.347 527 H GLU 81 HN GLU 81 -2.264 14.176 -0.000 528 HA GLU 81 HA GLU 81 -4.411 14.066 0.700 529 HB2 GLU 81 HB2 GLU 81 -4.422 16.897 -0.318 530 HB3 GLU 81 HB1 GLU 81 -5.860 16.149 0.361 531 HG2 GLU 81 HG2 GLU 81 -4.258 15.614 2.360 532 HG3 GLU 81 HG1 GLU 81 -3.331 16.960 1.694 533 H ASP 82 HN ASP 82 -3.675 13.145 -1.973 534 HA ASP 82 HA ASP 82 -6.028 13.677 -3.591 535 HB2 ASP 82 HB2 ASP 82 -3.455 13.022 -4.258 536 HB3 ASP 82 HB1 ASP 82 -4.262 11.462 -4.407 537 H THR 83 HN THR 83 -7.428 11.896 -4.325 538 HA THR 83 HA THR 83 -7.690 9.874 -2.196 539 HB THR 83 HB THR 83 -9.959 10.871 -3.910 540 HG1 THR 83 HG1 THR 83 -8.638 12.256 -2.092 541 HG21 THR 83 HG21 THR 83 -10.345 8.742 -2.793 542 HG22 THR 83 HG22 THR 83 -11.320 10.005 -2.039 543 HG23 THR 83 HG23 THR 83 -9.846 9.438 -1.252 544 H ILE 84 HN ILE 84 -7.445 7.848 -2.747 545 HA ILE 84 HA ILE 84 -7.608 7.096 -5.587 546 HB ILE 84 HB ILE 84 -6.357 5.474 -3.369 547 HG12 ILE 84 HG12 ILE 84 -4.911 7.318 -5.284 548 HG13 ILE 84 HG11 ILE 84 -5.287 7.741 -3.616 549 HG21 ILE 84 HG21 ILE 84 -6.892 4.194 -5.332 550 HG22 ILE 84 HG22 ILE 84 -5.145 4.431 -5.270 551 HG23 ILE 84 HG23 ILE 84 -6.128 5.395 -6.373 552 HD11 ILE 84 HD11 ILE 84 -3.918 5.889 -2.833 553 HD12 ILE 84 HD12 ILE 84 -2.990 6.984 -3.857 554 HD13 ILE 84 HD13 ILE 84 -3.556 5.444 -4.500 555 H ASP 85 HN ASP 85 -9.116 5.650 -6.244 556 HA ASP 85 HA ASP 85 -11.034 4.723 -4.237 557 HB2 ASP 85 HB2 ASP 85 -11.141 5.100 -7.212 558 HB3 ASP 85 HB1 ASP 85 -12.319 4.069 -6.406 559 H VAL 86 HN VAL 86 -11.434 2.630 -3.804 560 HA VAL 86 HA VAL 86 -9.935 0.609 -5.337 561 HB VAL 86 HB VAL 86 -10.534 0.378 -2.392 562 HG11 VAL 86 HG11 VAL 86 -10.159 -1.717 -3.589 563 HG12 VAL 86 HG12 VAL 86 -8.838 -1.383 -2.469 564 HG13 VAL 86 HG13 VAL 86 -8.622 -1.101 -4.196 565 HG21 VAL 86 HG21 VAL 86 -7.969 1.305 -3.680 566 HG22 VAL 86 HG22 VAL 86 -8.194 0.956 -1.966 567 HG23 VAL 86 HG23 VAL 86 -9.062 2.298 -2.714 568 H PHE 87 HN PHE 87 -11.317 -0.598 -6.419 569 HA PHE 87 HA PHE 87 -13.918 -1.261 -5.189 570 HB2 PHE 87 HB2 PHE 87 -13.193 -1.255 -8.131 571 HB3 PHE 87 HB1 PHE 87 -14.784 -1.577 -7.453 572 HD1 PHE 87 HD1 PHE 87 -16.044 0.258 -6.364 573 HD2 PHE 87 HD2 PHE 87 -12.422 0.938 -8.490 574 HE1 PHE 87 HE1 PHE 87 -16.587 2.652 -6.515 575 HE2 PHE 87 HE2 PHE 87 -12.958 3.331 -8.646 576 HZ PHE 87 HZ PHE 87 -15.041 4.195 -7.656 577 H GLN 88 HN GLN 88 -14.689 -3.415 -6.633 578 HA GLN 88 HA GLN 88 -12.479 -5.343 -6.407 579 HB2 GLN 88 HB2 GLN 88 -15.296 -5.689 -5.372 580 HB3 GLN 88 HB1 GLN 88 -14.137 -7.004 -5.527 581 HG2 GLN 88 HG2 GLN 88 -12.623 -5.489 -4.060 582 HG3 GLN 88 HG1 GLN 88 -14.142 -4.701 -3.633 583 HE21 GLN 88 HE21 GLN 88 -14.237 -5.357 -1.551 584 HE22 GLN 88 HE22 GLN 88 -14.434 -7.005 -1.065 585 H GLN 89 HN GLN 89 -12.498 -7.042 -7.847 586 HA GLN 89 HA GLN 89 -13.747 -6.586 -10.357 587 HB2 GLN 89 HB2 GLN 89 -11.581 -7.678 -10.212 588 HB3 GLN 89 HB1 GLN 89 -12.263 -8.989 -9.262 589 HG2 GLN 89 HG2 GLN 89 -11.885 -9.686 -11.544 590 HG3 GLN 89 HG1 GLN 89 -13.610 -9.677 -11.181 591 HE21 GLN 89 HE21 GLN 89 -14.235 -9.485 -13.305 592 HE22 GLN 89 HE22 GLN 89 -14.008 -8.034 -14.222 593 H GLN 90 HN GLN 90 -15.540 -7.463 -11.260 594 HA GLN 90 HA GLN 90 -17.575 -8.471 -9.605 595 HB2 GLN 90 HB2 GLN 90 -17.267 -8.370 -12.600 596 HB3 GLN 90 HB1 GLN 90 -18.707 -9.015 -11.827 597 HG2 GLN 90 HG2 GLN 90 -19.289 -6.833 -12.300 598 HG3 GLN 90 HG1 GLN 90 -18.807 -6.758 -10.606 599 HE21 GLN 90 HE21 GLN 90 -18.425 -4.530 -10.838 600 HE22 GLN 90 HE22 GLN 90 -17.005 -3.934 -11.627 601 H THR 91 HN THR 91 -18.211 -10.474 -9.075 602 HA THR 91 HA THR 91 -16.452 -12.684 -9.640 603 HB THR 91 HB THR 91 -18.628 -13.755 -8.356 604 HG1 THR 91 HG1 THR 91 -19.701 -11.857 -8.030 605 HG21 THR 91 HG21 THR 91 -17.276 -13.622 -6.341 606 HG22 THR 91 HG22 THR 91 -16.298 -12.343 -7.056 607 HG23 THR 91 HG23 THR 91 -16.245 -13.971 -7.728 608 H GLY 92 HN GLY 92 -19.398 -11.463 -10.944 609 HA2 GLY 92 HA2 GLY 92 -19.530 -13.783 -12.740 610 HA3 GLY 92 HA1 GLY 92 -20.984 -13.290 -11.884 611 H1 ASP 195 HN ASP 195 -13.283 5.675 15.164 612 HA ASP 195 HA ASP 195 -14.897 4.909 13.178 613 HB2 ASP 195 HB2 ASP 195 -14.579 7.506 12.583 614 HB3 ASP 195 HB1 ASP 195 -13.179 6.850 11.736 615 H THR 196 HN THR 196 -13.043 4.799 10.909 616 HA THR 196 HA THR 196 -10.885 3.295 12.222 617 HB THR 196 HB THR 196 -11.259 2.410 9.540 618 HG1 THR 196 HG1 THR 196 -13.391 1.690 9.641 619 HG21 THR 196 HG21 THR 196 -11.660 0.240 10.689 620 HG22 THR 196 HG22 THR 196 -11.708 1.101 12.228 621 HG23 THR 196 HG23 THR 196 -10.223 1.081 11.273 622 H ALA 197 HN ALA 197 -8.917 3.952 11.861 623 HA ALA 197 HA ALA 197 -8.320 5.493 9.425 624 HB1 ALA 197 HB1 ALA 197 -6.733 6.831 10.748 625 HB2 ALA 197 HB2 ALA 197 -7.252 5.990 12.208 626 HB3 ALA 197 HB3 ALA 197 -8.388 7.012 11.330 627 H GLY 198 HN GLY 198 -6.704 4.659 8.261 628 HA2 GLY 198 HA2 GLY 198 -4.907 2.731 9.585 629 HA3 GLY 198 HA1 GLY 198 -5.522 2.515 7.946 630 H CYS 199 HN CYS 199 -2.739 3.126 9.371 631 HA CYS 199 HA CYS 199 -1.977 5.145 7.362 632 HB2 CYS 199 HB2 CYS 199 -0.376 4.716 9.860 633 HB3 CYS 199 HB1 CYS 199 -0.488 6.156 8.853 634 HG CYS 199 HG CYS 199 -2.004 7.339 10.557 635 H ILE 200 HN ILE 200 -0.642 4.444 5.860 636 HA ILE 200 HA ILE 200 1.061 2.122 6.450 637 HB ILE 200 HB ILE 200 -0.210 2.682 3.768 638 HG12 ILE 200 HG12 ILE 200 -1.108 0.978 6.072 639 HG13 ILE 200 HG11 ILE 200 -2.056 2.060 5.055 640 HG21 ILE 200 HG21 ILE 200 0.831 0.015 4.511 641 HG22 ILE 200 HG22 ILE 200 2.026 1.281 4.226 642 HG23 ILE 200 HG23 ILE 200 0.866 0.863 2.965 643 HD11 ILE 200 HD11 ILE 200 -2.652 -0.214 4.595 644 HD12 ILE 200 HD12 ILE 200 -0.967 -0.640 4.295 645 HD13 ILE 200 HD13 ILE 200 -1.809 0.452 3.197 646 H VAL 201 HN VAL 201 3.199 2.422 6.031 647 HA VAL 201 HA VAL 201 3.909 4.638 4.226 648 HB VAL 201 HB VAL 201 4.425 5.132 6.626 649 HG11 VAL 201 HG11 VAL 201 5.032 2.995 7.473 650 HG12 VAL 201 HG12 VAL 201 6.447 4.042 7.584 651 HG13 VAL 201 HG13 VAL 201 6.340 2.838 6.300 652 HG21 VAL 201 HG21 VAL 201 6.890 5.724 6.134 653 HG22 VAL 201 HG22 VAL 201 5.627 6.431 5.130 654 HG23 VAL 201 HG23 VAL 201 6.560 5.063 4.532 655 H ILE 202 HN ILE 202 5.131 4.094 2.522 656 HA ILE 202 HA ILE 202 6.536 1.517 2.578 657 HB ILE 202 HB ILE 202 6.052 1.108 0.249 658 HG12 ILE 202 HG12 ILE 202 4.591 3.748 0.356 659 HG13 ILE 202 HG11 ILE 202 5.925 3.287 -0.697 660 HG21 ILE 202 HG21 ILE 202 4.490 0.154 1.766 661 HG22 ILE 202 HG22 ILE 202 3.569 0.783 0.400 662 HG23 ILE 202 HG23 ILE 202 3.613 1.674 1.921 663 HD11 ILE 202 HD11 ILE 202 4.590 2.255 -2.172 664 HD12 ILE 202 HD12 ILE 202 3.377 3.337 -1.483 665 HD13 ILE 202 HD13 ILE 202 3.481 1.667 -0.931 666 H SEP 203 HN SEP 203 8.589 1.464 1.845 667 HA SEP 203 HA SEP 203 9.680 4.001 0.816 668 HB2 SEP 203 HB1 SEP 203 11.858 3.211 1.818 669 HB3 SEP 203 HB2 SEP 203 10.959 1.905 2.589 670 H ASP 204 HN ASP 204 10.626 3.934 -1.136 671 HA ASP 204 HA ASP 204 11.413 1.304 -2.186 672 HB2 ASP 204 HB2 ASP 204 9.307 2.443 -3.204 673 HB3 ASP 204 HB1 ASP 204 10.471 3.488 -4.011 674 H SEP 205 HN SEP 205 13.504 1.166 -2.769 675 HA SEP 205 HA SEP 205 14.903 3.684 -3.352 676 HB2 SEP 205 HB1 SEP 205 15.914 3.065 -1.371 677 HB3 SEP 205 HB2 SEP 205 16.940 2.211 -2.518 678 H GLU 206 HN GLU 206 15.880 3.828 -5.254 679 HA GLU 206 HA GLU 206 15.772 1.580 -7.076 680 HB2 GLU 206 HB2 GLU 206 15.133 3.801 -7.867 681 HB3 GLU 206 HB1 GLU 206 16.726 4.426 -7.459 682 HG2 GLU 206 HG2 GLU 206 16.628 4.084 -9.813 683 HG3 GLU 206 HG1 GLU 206 17.703 2.870 -9.122 Start of MODEL 16 1 H1 ASP 16 HN ASP 16 11.304 13.105 0.076 2 HA ASP 16 HA ASP 16 9.810 14.929 1.678 3 HB2 ASP 16 HB2 ASP 16 10.002 15.461 -1.180 4 HB3 ASP 16 HB1 ASP 16 8.338 15.224 -0.657 5 H HIS 17 HN HIS 17 7.587 14.295 1.895 6 HA HIS 17 HA HIS 17 7.024 11.588 0.882 7 HB2 HIS 17 HB2 HIS 17 6.780 12.682 3.666 8 HB3 HIS 17 HB1 HIS 17 5.713 11.389 3.137 9 HD2 HIS 17 HD2 HIS 17 7.092 8.964 2.427 10 HE1 HIS 17 HE1 HIS 17 10.472 10.015 4.746 11 HE2 HIS 17 HE2 HIS 17 9.275 8.114 3.570 12 H ILE 18 HN ILE 18 5.101 11.350 -0.071 13 HA ILE 18 HA ILE 18 3.232 13.614 0.039 14 HB ILE 18 HB ILE 18 3.987 13.091 -2.210 15 HG12 ILE 18 HG12 ILE 18 1.135 12.174 -1.791 16 HG13 ILE 18 HG11 ILE 18 1.668 13.845 -1.953 17 HG21 ILE 18 HG21 ILE 18 3.496 10.935 -3.275 18 HG22 ILE 18 HG22 ILE 18 2.931 10.313 -1.725 19 HG23 ILE 18 HG23 ILE 18 4.619 10.780 -1.926 20 HD11 ILE 18 HD11 ILE 18 2.442 13.351 -4.231 21 HD12 ILE 18 HD12 ILE 18 0.714 13.071 -4.024 22 HD13 ILE 18 HD13 ILE 18 1.829 11.706 -4.063 23 H ASN 19 HN ASN 19 1.249 13.378 0.896 24 HA ASN 19 HA ASN 19 0.608 10.747 2.028 25 HB2 ASN 19 HB2 ASN 19 -0.605 13.451 2.657 26 HB3 ASN 19 HB1 ASN 19 -0.940 11.942 3.497 27 HD21 ASN 19 HD21 ASN 19 1.296 14.528 3.029 28 HD22 ASN 19 HD22 ASN 19 2.358 14.128 4.339 29 H LEU 20 HN LEU 20 -0.773 9.521 0.982 30 HA LEU 20 HA LEU 20 -2.834 10.794 -0.696 31 HB2 LEU 20 HB2 LEU 20 -1.668 8.015 -0.924 32 HB3 LEU 20 HB1 LEU 20 -2.851 8.730 -2.003 33 HG LEU 20 HG LEU 20 -0.098 9.893 -1.633 34 HD11 LEU 20 HD11 LEU 20 0.511 8.749 -3.725 35 HD12 LEU 20 HD12 LEU 20 -1.014 7.866 -3.666 36 HD13 LEU 20 HD13 LEU 20 0.196 7.621 -2.406 37 HD21 LEU 20 HD21 LEU 20 -2.188 10.186 -3.788 38 HD22 LEU 20 HD22 LEU 20 -0.582 10.916 -3.812 39 HD23 LEU 20 HD23 LEU 20 -1.750 11.396 -2.580 40 H LYS 21 HN LYS 21 -4.939 9.780 -0.741 41 HA LYS 21 HA LYS 21 -5.552 8.407 1.796 42 HB2 LYS 21 HB2 LYS 21 -7.193 10.252 0.071 43 HB3 LYS 21 HB1 LYS 21 -7.926 9.224 1.292 44 HG2 LYS 21 HG2 LYS 21 -6.933 10.384 3.039 45 HG3 LYS 21 HG1 LYS 21 -5.710 11.106 1.995 46 HD2 LYS 21 HD2 LYS 21 -7.629 12.292 0.827 47 HD3 LYS 21 HD1 LYS 21 -8.638 11.770 2.175 48 HE2 LYS 21 HE2 LYS 21 -7.223 12.962 3.731 49 HE3 LYS 21 HE1 LYS 21 -6.122 13.410 2.432 50 HZ1 LYS 21 HZ1 LYS 21 -8.868 14.380 2.924 51 HZ2 LYS 21 HZ2 LYS 21 -8.150 14.521 1.401 52 HZ3 LYS 21 HZ3 LYS 21 -7.440 15.280 2.740 53 H VAL 22 HN VAL 22 -7.165 6.761 1.775 54 HA VAL 22 HA VAL 22 -7.406 5.387 -0.820 55 HB VAL 22 HB VAL 22 -7.390 4.193 1.964 56 HG11 VAL 22 HG11 VAL 22 -8.916 2.991 0.461 57 HG12 VAL 22 HG12 VAL 22 -7.502 2.017 0.868 58 HG13 VAL 22 HG13 VAL 22 -7.608 2.802 -0.708 59 HG21 VAL 22 HG21 VAL 22 -5.185 4.915 1.136 60 HG22 VAL 22 HG22 VAL 22 -5.404 3.893 -0.284 61 HG23 VAL 22 HG23 VAL 22 -5.297 3.164 1.317 62 H ALA 23 HN ALA 23 -9.393 5.524 -1.642 63 HA ALA 23 HA ALA 23 -11.637 6.178 0.074 64 HB1 ALA 23 HB1 ALA 23 -11.823 5.630 -2.868 65 HB2 ALA 23 HB2 ALA 23 -11.184 7.154 -2.251 66 HB3 ALA 23 HB3 ALA 23 -12.838 6.670 -1.868 67 H GLY 24 HN GLY 24 -12.242 4.463 1.275 68 HA2 GLY 24 HA2 GLY 24 -12.439 1.819 0.105 69 HA3 GLY 24 HA1 GLY 24 -12.765 2.249 1.777 70 H GLN 25 HN GLN 25 -14.406 0.515 0.482 71 HA GLN 25 HA GLN 25 -16.747 2.019 -0.410 72 HB2 GLN 25 HB2 GLN 25 -16.274 -0.967 -0.271 73 HB3 GLN 25 HB1 GLN 25 -17.672 -0.183 -0.991 74 HG2 GLN 25 HG2 GLN 25 -14.829 0.098 -1.944 75 HG3 GLN 25 HG1 GLN 25 -16.060 -0.933 -2.671 76 HE21 GLN 25 HE21 GLN 25 -14.541 1.304 -3.790 77 HE22 GLN 25 HE22 GLN 25 -15.727 2.432 -4.354 78 H ASP 26 HN ASP 26 -15.449 0.956 2.428 79 HA ASP 26 HA ASP 26 -18.061 0.473 3.685 80 HB2 ASP 26 HB2 ASP 26 -16.786 -0.514 5.548 81 HB3 ASP 26 HB1 ASP 26 -16.423 -1.314 4.024 82 H GLY 27 HN GLY 27 -15.188 2.498 3.841 83 HA2 GLY 27 HA2 GLY 27 -15.980 4.850 4.540 84 HA3 GLY 27 HA1 GLY 27 -16.431 4.027 6.023 85 H SER 28 HN SER 28 -14.045 2.253 5.851 86 HA SER 28 HA SER 28 -12.302 3.799 7.425 87 HB2 SER 28 HB2 SER 28 -10.696 1.876 7.080 88 HB3 SER 28 HB1 SER 28 -12.280 1.424 7.705 89 HG SER 28 HG SER 28 -12.860 0.663 5.706 90 H VAL 29 HN VAL 29 -10.324 4.741 6.999 91 HA VAL 29 HA VAL 29 -9.534 4.954 4.185 92 HB VAL 29 HB VAL 29 -10.737 7.012 4.768 93 HG11 VAL 29 HG11 VAL 29 -8.659 7.333 6.927 94 HG12 VAL 29 HG12 VAL 29 -10.381 7.043 7.163 95 HG13 VAL 29 HG13 VAL 29 -9.832 8.559 6.448 96 HG21 VAL 29 HG21 VAL 29 -8.951 8.637 4.202 97 HG22 VAL 29 HG22 VAL 29 -8.953 7.210 3.167 98 HG23 VAL 29 HG23 VAL 29 -7.758 7.361 4.456 99 H VAL 30 HN VAL 30 -7.386 4.804 3.825 100 HA VAL 30 HA VAL 30 -5.653 4.614 6.193 101 HB VAL 30 HB VAL 30 -5.167 3.193 3.568 102 HG11 VAL 30 HG11 VAL 30 -3.500 1.957 4.755 103 HG12 VAL 30 HG12 VAL 30 -4.008 2.651 6.296 104 HG13 VAL 30 HG13 VAL 30 -3.227 3.670 5.085 105 HG21 VAL 30 HG21 VAL 30 -5.903 1.136 4.731 106 HG22 VAL 30 HG22 VAL 30 -7.211 2.301 4.499 107 HG23 VAL 30 HG23 VAL 30 -6.450 2.125 6.083 108 H GLN 31 HN GLN 31 -4.253 6.228 6.328 109 HA GLN 31 HA GLN 31 -3.735 7.981 4.120 110 HB2 GLN 31 HB2 GLN 31 -3.789 8.719 6.519 111 HB3 GLN 31 HB1 GLN 31 -2.273 7.857 6.767 112 HG2 GLN 31 HG2 GLN 31 -1.096 9.317 5.331 113 HG3 GLN 31 HG1 GLN 31 -2.583 10.020 4.702 114 HE21 GLN 31 HE21 GLN 31 -0.257 11.290 5.964 115 HE22 GLN 31 HE22 GLN 31 -0.887 12.180 7.307 116 H PHE 32 HN PHE 32 -2.464 7.454 2.519 117 HA PHE 32 HA PHE 32 -0.382 5.466 2.874 118 HB2 PHE 32 HB2 PHE 32 -2.035 6.374 0.696 119 HB3 PHE 32 HB1 PHE 32 -0.337 6.444 0.231 120 HD1 PHE 32 HD1 PHE 32 -3.129 4.274 1.075 121 HD2 PHE 32 HD2 PHE 32 1.026 4.423 0.194 122 HE1 PHE 32 HE1 PHE 32 -3.125 1.842 0.697 123 HE2 PHE 32 HE2 PHE 32 1.040 1.992 -0.185 124 HZ PHE 32 HZ PHE 32 -1.041 0.696 0.067 125 H LYS 33 HN LYS 33 1.366 6.279 3.826 126 HA LYS 33 HA LYS 33 2.472 8.830 2.933 127 HB2 LYS 33 HB2 LYS 33 2.507 8.485 5.320 128 HB3 LYS 33 HB1 LYS 33 3.271 6.912 5.133 129 HG2 LYS 33 HG2 LYS 33 5.301 7.969 4.311 130 HG3 LYS 33 HG1 LYS 33 4.538 9.556 4.433 131 HD2 LYS 33 HD2 LYS 33 4.403 9.387 6.811 132 HD3 LYS 33 HD1 LYS 33 4.917 7.699 6.774 133 HE2 LYS 33 HE2 LYS 33 7.101 8.361 5.942 134 HE3 LYS 33 HE1 LYS 33 6.593 10.048 5.895 135 HZ1 LYS 33 HZ1 LYS 33 7.878 9.655 7.860 136 HZ2 LYS 33 HZ2 LYS 33 6.896 8.362 8.319 137 HZ3 LYS 33 HZ3 LYS 33 6.274 9.934 8.319 138 H ILE 34 HN ILE 34 3.382 8.562 0.970 139 HA ILE 34 HA ILE 34 5.547 6.586 0.774 140 HB ILE 34 HB ILE 34 4.699 5.499 -0.996 141 HG12 ILE 34 HG12 ILE 34 3.637 8.090 -2.144 142 HG13 ILE 34 HG11 ILE 34 5.218 7.395 -2.491 143 HG21 ILE 34 HG21 ILE 34 2.721 5.577 0.422 144 HG22 ILE 34 HG22 ILE 34 2.281 5.513 -1.284 145 HG23 ILE 34 HG23 ILE 34 2.178 7.036 -0.399 146 HD11 ILE 34 HD11 ILE 34 4.197 5.495 -3.556 147 HD12 ILE 34 HD12 ILE 34 3.559 6.981 -4.261 148 HD13 ILE 34 HD13 ILE 34 2.591 6.067 -3.106 149 H LYS 35 HN LYS 35 7.017 7.142 -1.146 150 HA LYS 35 HA LYS 35 7.445 10.028 -1.084 151 HB2 LYS 35 HB2 LYS 35 9.208 7.749 -1.992 152 HB3 LYS 35 HB1 LYS 35 9.643 9.439 -2.183 153 HG2 LYS 35 HG2 LYS 35 10.702 9.011 -0.226 154 HG3 LYS 35 HG1 LYS 35 9.131 9.489 0.414 155 HD2 LYS 35 HD2 LYS 35 9.216 7.536 1.525 156 HD3 LYS 35 HD1 LYS 35 8.774 6.815 -0.024 157 HE2 LYS 35 HE2 LYS 35 10.629 5.577 0.590 158 HE3 LYS 35 HE1 LYS 35 11.324 6.805 -0.465 159 HZ1 LYS 35 HZ1 LYS 35 12.657 6.573 1.498 160 HZ2 LYS 35 HZ2 LYS 35 11.322 6.826 2.510 161 HZ3 LYS 35 HZ3 LYS 35 11.908 8.086 1.530 162 H ARG 36 HN ARG 36 7.857 11.211 -3.036 163 HA ARG 36 HA ARG 36 5.943 10.692 -5.039 164 HB2 ARG 36 HB2 ARG 36 7.028 12.925 -4.297 165 HB3 ARG 36 HB1 ARG 36 8.294 12.514 -5.445 166 HG2 ARG 36 HG2 ARG 36 6.870 12.696 -7.273 167 HG3 ARG 36 HG1 ARG 36 5.420 12.541 -6.280 168 HD2 ARG 36 HD2 ARG 36 5.683 14.726 -5.402 169 HD3 ARG 36 HD1 ARG 36 7.312 14.869 -6.054 170 HE ARG 36 HE ARG 36 6.336 15.005 -8.263 171 HH11 ARG 36 HH11 ARG 36 4.133 15.449 -5.565 172 HH12 ARG 36 HH12 ARG 36 2.948 16.304 -6.514 173 HH21 ARG 36 HH21 ARG 36 4.770 16.145 -9.492 174 HH22 ARG 36 HH22 ARG 36 3.314 16.701 -8.724 175 H HIS 37 HN HIS 37 9.131 9.546 -4.620 176 HA HIS 37 HA HIS 37 9.337 8.779 -7.444 177 HB2 HIS 37 HB2 HIS 37 11.696 8.237 -6.943 178 HB3 HIS 37 HB1 HIS 37 11.309 9.915 -6.586 179 HD2 HIS 37 HD2 HIS 37 11.848 10.730 -4.067 180 HE1 HIS 37 HE1 HIS 37 12.804 6.914 -2.499 181 HE2 HIS 37 HE2 HIS 37 12.794 9.413 -2.045 182 H THR 38 HN THR 38 7.833 7.554 -4.980 183 HA THR 38 HA THR 38 8.934 4.849 -5.061 184 HB THR 38 HB THR 38 6.767 6.085 -3.357 185 HG1 THR 38 HG1 THR 38 9.401 6.142 -3.200 186 HG21 THR 38 HG21 THR 38 7.905 3.294 -3.360 187 HG22 THR 38 HG22 THR 38 6.223 3.768 -3.593 188 HG23 THR 38 HG23 THR 38 6.988 3.975 -2.018 189 HA PRO 39 HA PRO 39 6.118 3.555 -8.278 190 HB2 PRO 39 HB2 PRO 39 6.435 0.932 -6.912 191 HB3 PRO 39 HB1 PRO 39 6.669 1.352 -8.614 192 HG2 PRO 39 HG2 PRO 39 8.758 0.924 -7.035 193 HG3 PRO 39 HG1 PRO 39 8.789 2.194 -8.275 194 HD2 PRO 39 HD2 PRO 39 8.481 2.443 -5.324 195 HD3 PRO 39 HD1 PRO 39 9.301 3.517 -6.475 196 H LEU 40 HN LEU 40 3.954 3.315 -8.435 197 HA LEU 40 HA LEU 40 2.390 3.405 -6.028 198 HB2 LEU 40 HB2 LEU 40 1.685 3.378 -8.947 199 HB3 LEU 40 HB1 LEU 40 0.457 3.314 -7.699 200 HG LEU 40 HG LEU 40 2.415 5.560 -8.183 201 HD11 LEU 40 HD11 LEU 40 0.569 5.456 -9.773 202 HD12 LEU 40 HD12 LEU 40 0.408 6.846 -8.703 203 HD13 LEU 40 HD13 LEU 40 -0.584 5.413 -8.441 204 HD21 LEU 40 HD21 LEU 40 0.375 5.176 -5.999 205 HD22 LEU 40 HD22 LEU 40 1.107 6.730 -6.403 206 HD23 LEU 40 HD23 LEU 40 2.117 5.406 -5.821 207 H SER 41 HN SER 41 3.665 0.903 -7.871 208 HA SER 41 HA SER 41 1.643 -1.028 -7.794 209 HB2 SER 41 HB2 SER 41 3.659 -2.643 -7.769 210 HB3 SER 41 HB1 SER 41 3.526 -1.528 -9.131 211 HG SER 41 HG SER 41 5.491 -1.000 -8.562 212 H LYS 42 HN LYS 42 3.939 0.070 -5.383 213 HA LYS 42 HA LYS 42 3.587 -2.000 -3.497 214 HB2 LYS 42 HB2 LYS 42 4.186 0.881 -2.830 215 HB3 LYS 42 HB1 LYS 42 4.618 -0.545 -1.899 216 HG2 LYS 42 HG2 LYS 42 6.119 -1.211 -3.781 217 HG3 LYS 42 HG1 LYS 42 5.769 0.349 -4.528 218 HD2 LYS 42 HD2 LYS 42 7.706 0.831 -3.382 219 HD3 LYS 42 HD1 LYS 42 6.486 1.295 -2.188 220 HE2 LYS 42 HE2 LYS 42 8.157 0.021 -1.056 221 HE3 LYS 42 HE1 LYS 42 6.721 -0.995 -1.194 222 HZ1 LYS 42 HZ1 LYS 42 9.127 -1.126 -2.944 223 HZ2 LYS 42 HZ2 LYS 42 7.750 -2.103 -3.094 224 HZ3 LYS 42 HZ3 LYS 42 8.726 -2.230 -1.720 225 H LEU 43 HN LEU 43 1.823 0.936 -4.197 226 HA LEU 43 HA LEU 43 0.285 1.185 -1.892 227 HB2 LEU 43 HB2 LEU 43 0.530 2.656 -4.069 228 HB3 LEU 43 HB1 LEU 43 -0.895 1.769 -4.572 229 HG LEU 43 HG LEU 43 -1.056 2.985 -1.887 230 HD11 LEU 43 HD11 LEU 43 0.168 4.718 -3.098 231 HD12 LEU 43 HD12 LEU 43 -1.487 5.220 -2.761 232 HD13 LEU 43 HD13 LEU 43 -1.039 4.684 -4.380 233 HD21 LEU 43 HD21 LEU 43 -2.884 2.920 -4.286 234 HD22 LEU 43 HD22 LEU 43 -3.304 3.541 -2.689 235 HD23 LEU 43 HD23 LEU 43 -2.941 1.828 -2.904 236 H MET 44 HN MET 44 -0.327 -0.675 -4.831 237 HA MET 44 HA MET 44 -2.870 -1.626 -3.980 238 HB2 MET 44 HB2 MET 44 -0.989 -2.614 -6.131 239 HB3 MET 44 HB1 MET 44 -2.610 -3.248 -5.876 240 HG2 MET 44 HG2 MET 44 -3.405 -0.847 -6.177 241 HG3 MET 44 HG1 MET 44 -1.791 -0.523 -6.804 242 HE1 MET 44 HE1 MET 44 -1.636 -2.821 -9.952 243 HE2 MET 44 HE2 MET 44 -0.973 -3.036 -8.331 244 HE3 MET 44 HE3 MET 44 -0.874 -1.465 -9.125 245 H LYS 45 HN LYS 45 0.354 -3.096 -4.124 246 HA LYS 45 HA LYS 45 -0.390 -5.617 -3.130 247 HB2 LYS 45 HB2 LYS 45 2.289 -4.229 -3.008 248 HB3 LYS 45 HB1 LYS 45 2.021 -5.943 -2.721 249 HG2 LYS 45 HG2 LYS 45 1.222 -6.204 -5.019 250 HG3 LYS 45 HG1 LYS 45 1.505 -4.486 -5.309 251 HD2 LYS 45 HD2 LYS 45 3.624 -6.485 -4.518 252 HD3 LYS 45 HD1 LYS 45 3.330 -5.923 -6.164 253 HE2 LYS 45 HE2 LYS 45 3.925 -3.674 -5.563 254 HE3 LYS 45 HE1 LYS 45 4.030 -4.109 -3.861 255 HZ1 LYS 45 HZ1 LYS 45 5.834 -4.965 -6.046 256 HZ2 LYS 45 HZ2 LYS 45 5.856 -5.652 -4.502 257 HZ3 LYS 45 HZ3 LYS 45 6.219 -4.012 -4.702 258 H ALA 46 HN ALA 46 1.137 -2.880 -1.413 259 HA ALA 46 HA ALA 46 1.330 -4.120 1.082 260 HB1 ALA 46 HB1 ALA 46 2.447 -1.992 0.324 261 HB2 ALA 46 HB2 ALA 46 1.822 -1.995 1.973 262 HB3 ALA 46 HB3 ALA 46 0.932 -1.170 0.696 263 H TYR 47 HN TYR 47 -1.288 -2.091 -0.222 264 HA TYR 47 HA TYR 47 -2.805 -2.203 2.194 265 HB2 TYR 47 HB2 TYR 47 -3.203 -0.322 0.843 266 HB3 TYR 47 HB1 TYR 47 -3.429 -1.295 -0.608 267 HD1 TYR 47 HD1 TYR 47 -5.567 -2.199 -1.162 268 HD2 TYR 47 HD2 TYR 47 -4.992 -0.239 2.569 269 HE1 TYR 47 HE1 TYR 47 -7.995 -2.155 -0.823 270 HE2 TYR 47 HE2 TYR 47 -7.430 -0.191 2.920 271 HH TYR 47 HH TYR 47 -9.520 -2.019 1.536 272 H CYS 48 HN CYS 48 -2.816 -4.056 -0.820 273 HA CYS 48 HA CYS 48 -5.189 -5.495 -0.345 274 HB2 CYS 48 HB2 CYS 48 -3.581 -5.349 -2.451 275 HB3 CYS 48 HB1 CYS 48 -2.911 -6.818 -1.747 276 HG CYS 48 HG CYS 48 -4.948 -8.422 -2.205 277 H GLU 49 HN GLU 49 -1.887 -5.974 0.726 278 HA GLU 49 HA GLU 49 -2.197 -8.574 1.756 279 HB2 GLU 49 HB2 GLU 49 -0.226 -6.388 2.032 280 HB3 GLU 49 HB1 GLU 49 -0.259 -7.562 3.340 281 HG2 GLU 49 HG2 GLU 49 0.096 -8.196 0.420 282 HG3 GLU 49 HG1 GLU 49 1.375 -8.150 1.633 283 H ARG 50 HN ARG 50 -2.887 -5.401 3.088 284 HA ARG 50 HA ARG 50 -3.306 -6.293 5.763 285 HB2 ARG 50 HB2 ARG 50 -4.180 -3.807 4.293 286 HB3 ARG 50 HB1 ARG 50 -4.563 -4.100 5.984 287 HG2 ARG 50 HG2 ARG 50 -2.050 -4.374 6.328 288 HG3 ARG 50 HG1 ARG 50 -1.875 -3.656 4.725 289 HD2 ARG 50 HD2 ARG 50 -3.067 -1.670 5.467 290 HD3 ARG 50 HD1 ARG 50 -3.323 -2.395 7.052 291 HE ARG 50 HE ARG 50 -0.553 -2.284 6.411 292 HH11 ARG 50 HH11 ARG 50 -2.241 0.812 8.343 293 HH12 ARG 50 HH12 ARG 50 -3.242 -0.331 7.503 294 HH21 ARG 50 HH21 ARG 50 0.775 -0.759 7.493 295 HH22 ARG 50 HH22 ARG 50 0.038 0.571 8.333 296 H GLN 51 HN GLN 51 -5.288 -5.986 2.913 297 HA GLN 51 HA GLN 51 -7.763 -6.516 4.279 298 HB2 GLN 51 HB2 GLN 51 -7.089 -6.556 1.328 299 HB3 GLN 51 HB1 GLN 51 -8.712 -6.662 1.996 300 HG2 GLN 51 HG2 GLN 51 -6.837 -4.343 2.351 301 HG3 GLN 51 HG1 GLN 51 -8.167 -4.416 1.195 302 HE21 GLN 51 HE21 GLN 51 -10.264 -4.221 1.914 303 HE22 GLN 51 HE22 GLN 51 -10.658 -3.707 3.520 304 H GLY 52 HN GLY 52 -5.284 -8.356 2.695 305 HA2 GLY 52 HA2 GLY 52 -4.879 -10.636 2.830 306 HA3 GLY 52 HA1 GLY 52 -6.390 -10.822 3.714 307 H LEU 53 HN LEU 53 -6.093 -9.218 0.623 308 HA LEU 53 HA LEU 53 -7.591 -11.431 -0.621 309 HB2 LEU 53 HB2 LEU 53 -7.846 -8.496 -1.293 310 HB3 LEU 53 HB1 LEU 53 -8.794 -9.811 -1.960 311 HG LEU 53 HG LEU 53 -8.865 -8.951 0.934 312 HD11 LEU 53 HD11 LEU 53 -9.764 -7.209 -0.481 313 HD12 LEU 53 HD12 LEU 53 -11.065 -8.021 0.390 314 HD13 LEU 53 HD13 LEU 53 -10.785 -8.381 -1.316 315 HD21 LEU 53 HD21 LEU 53 -10.566 -10.881 -0.640 316 HD22 LEU 53 HD22 LEU 53 -10.884 -10.358 1.016 317 HD23 LEU 53 HD23 LEU 53 -9.429 -11.285 0.647 318 H SER 54 HN SER 54 -7.423 -11.320 -3.071 319 HA SER 54 HA SER 54 -4.622 -11.202 -3.765 320 HB2 SER 54 HB2 SER 54 -6.097 -13.059 -4.532 321 HB3 SER 54 HB1 SER 54 -7.007 -11.900 -5.497 322 HG SER 54 HG SER 54 -4.592 -13.081 -5.994 323 H MET 55 HN MET 55 -3.690 -9.838 -5.283 324 HA MET 55 HA MET 55 -4.750 -7.219 -5.437 325 HB2 MET 55 HB2 MET 55 -2.300 -7.901 -5.531 326 HB3 MET 55 HB1 MET 55 -2.582 -8.338 -7.210 327 HG2 MET 55 HG2 MET 55 -3.406 -5.958 -7.532 328 HG3 MET 55 HG1 MET 55 -2.713 -5.619 -5.948 329 HE1 MET 55 HE1 MET 55 -2.110 -6.465 -9.654 330 HE2 MET 55 HE2 MET 55 -1.423 -7.931 -8.954 331 HE3 MET 55 HE3 MET 55 -0.375 -6.758 -9.753 332 H ARG 56 HN ARG 56 -5.193 -10.012 -7.353 333 HA ARG 56 HA ARG 56 -6.053 -8.550 -9.707 334 HB2 ARG 56 HB2 ARG 56 -4.809 -10.728 -9.818 335 HB3 ARG 56 HB1 ARG 56 -6.232 -11.513 -9.147 336 HG2 ARG 56 HG2 ARG 56 -7.525 -11.012 -11.068 337 HG3 ARG 56 HG1 ARG 56 -6.289 -9.919 -11.696 338 HD2 ARG 56 HD2 ARG 56 -4.787 -11.761 -12.079 339 HD3 ARG 56 HD1 ARG 56 -5.897 -12.882 -11.290 340 HE ARG 56 HE ARG 56 -7.395 -11.863 -13.288 341 HH11 ARG 56 HH11 ARG 56 -4.195 -13.290 -13.215 342 HH12 ARG 56 HH12 ARG 56 -4.303 -13.922 -14.825 343 HH21 ARG 56 HH21 ARG 56 -7.534 -12.689 -15.410 344 HH22 ARG 56 HH22 ARG 56 -6.207 -13.588 -16.073 345 H GLN 57 HN GLN 57 -7.384 -9.383 -6.774 346 HA GLN 57 HA GLN 57 -10.059 -9.940 -7.737 347 HB2 GLN 57 HB2 GLN 57 -9.025 -10.994 -5.671 348 HB3 GLN 57 HB1 GLN 57 -9.210 -9.432 -4.887 349 HG2 GLN 57 HG2 GLN 57 -11.669 -9.586 -5.430 350 HG3 GLN 57 HG1 GLN 57 -11.373 -11.261 -5.890 351 HE21 GLN 57 HE21 GLN 57 -13.053 -10.239 -3.767 352 HE22 GLN 57 HE22 GLN 57 -12.446 -10.907 -2.293 353 H ILE 58 HN ILE 58 -8.219 -7.199 -6.690 354 HA ILE 58 HA ILE 58 -10.681 -5.587 -6.747 355 HB ILE 58 HB ILE 58 -9.460 -3.925 -5.313 356 HG12 ILE 58 HG12 ILE 58 -7.550 -6.243 -4.910 357 HG13 ILE 58 HG11 ILE 58 -7.170 -4.737 -5.737 358 HG21 ILE 58 HG21 ILE 58 -9.905 -6.644 -4.086 359 HG22 ILE 58 HG22 ILE 58 -11.163 -5.459 -4.433 360 HG23 ILE 58 HG23 ILE 58 -9.917 -5.097 -3.240 361 HD11 ILE 58 HD11 ILE 58 -7.871 -5.048 -2.827 362 HD12 ILE 58 HD12 ILE 58 -7.547 -3.517 -3.641 363 HD13 ILE 58 HD13 ILE 58 -6.272 -4.727 -3.498 364 H ARG 59 HN ARG 59 -10.141 -3.203 -7.219 365 HA ARG 59 HA ARG 59 -8.012 -2.936 -9.212 366 HB2 ARG 59 HB2 ARG 59 -10.938 -2.340 -9.663 367 HB3 ARG 59 HB1 ARG 59 -9.668 -1.651 -10.662 368 HG2 ARG 59 HG2 ARG 59 -10.325 -4.568 -10.339 369 HG3 ARG 59 HG1 ARG 59 -10.619 -3.562 -11.759 370 HD2 ARG 59 HD2 ARG 59 -8.159 -3.194 -11.924 371 HD3 ARG 59 HD1 ARG 59 -7.941 -4.352 -10.611 372 HE ARG 59 HE ARG 59 -8.618 -4.929 -13.363 373 HH11 ARG 59 HH11 ARG 59 -8.522 -6.116 -10.066 374 HH12 ARG 59 HH12 ARG 59 -8.553 -7.791 -10.535 375 HH21 ARG 59 HH21 ARG 59 -8.631 -7.122 -13.982 376 HH22 ARG 59 HH22 ARG 59 -8.606 -8.360 -12.767 377 H PHE 60 HN PHE 60 -7.218 -0.853 -9.448 378 HA PHE 60 HA PHE 60 -8.166 1.064 -7.427 379 HB2 PHE 60 HB2 PHE 60 -5.410 0.440 -8.455 380 HB3 PHE 60 HB1 PHE 60 -5.762 1.996 -7.708 381 HD1 PHE 60 HD1 PHE 60 -6.241 -1.649 -7.044 382 HD2 PHE 60 HD2 PHE 60 -5.397 2.206 -5.452 383 HE1 PHE 60 HE1 PHE 60 -5.892 -2.648 -4.823 384 HE2 PHE 60 HE2 PHE 60 -5.049 1.216 -3.230 385 HZ PHE 60 HZ PHE 60 -5.293 -1.214 -2.911 386 H ARG 61 HN ARG 61 -8.714 3.069 -8.054 387 HA ARG 61 HA ARG 61 -8.235 3.813 -10.865 388 HB2 ARG 61 HB2 ARG 61 -10.764 3.977 -9.255 389 HB3 ARG 61 HB1 ARG 61 -10.492 5.048 -10.620 390 HG2 ARG 61 HG2 ARG 61 -10.232 3.079 -12.074 391 HG3 ARG 61 HG1 ARG 61 -10.594 2.038 -10.693 392 HD2 ARG 61 HD2 ARG 61 -12.779 3.081 -10.457 393 HD3 ARG 61 HD1 ARG 61 -12.419 4.173 -11.793 394 HE ARG 61 HE ARG 61 -12.188 1.439 -12.561 395 HH11 ARG 61 HH11 ARG 61 -15.724 3.309 -12.981 396 HH12 ARG 61 HH12 ARG 61 -14.520 3.975 -11.923 397 HH21 ARG 61 HH21 ARG 61 -13.757 0.582 -13.984 398 HH22 ARG 61 HH22 ARG 61 -15.289 1.380 -14.152 399 H PHE 62 HN PHE 62 -7.753 5.901 -11.291 400 HA PHE 62 HA PHE 62 -7.767 7.828 -9.075 401 HB2 PHE 62 HB2 PHE 62 -5.451 6.859 -9.463 402 HB3 PHE 62 HB1 PHE 62 -5.491 7.615 -11.053 403 HD1 PHE 62 HD1 PHE 62 -5.977 8.453 -7.459 404 HD2 PHE 62 HD2 PHE 62 -4.648 9.749 -11.285 405 HE1 PHE 62 HE1 PHE 62 -5.186 10.558 -6.464 406 HE2 PHE 62 HE2 PHE 62 -3.851 11.858 -10.300 407 HZ PHE 62 HZ PHE 62 -4.119 12.263 -7.888 408 H ASP 63 HN ASP 63 -8.946 9.515 -9.649 409 HA ASP 63 HA ASP 63 -9.985 11.125 -10.870 410 HB2 ASP 63 HB2 ASP 63 -7.637 11.618 -11.612 411 HB3 ASP 63 HB1 ASP 63 -7.903 10.571 -13.001 412 H GLY 64 HN GLY 64 -10.327 8.088 -11.333 413 HA2 GLY 64 HA2 GLY 64 -12.272 7.139 -12.324 414 HA3 GLY 64 HA1 GLY 64 -12.228 8.400 -13.548 415 H GLN 65 HN GLN 65 -9.151 7.684 -13.443 416 HA GLN 65 HA GLN 65 -9.362 5.738 -15.620 417 HB2 GLN 65 HB2 GLN 65 -6.826 7.116 -14.790 418 HB3 GLN 65 HB1 GLN 65 -7.268 6.488 -16.369 419 HG2 GLN 65 HG2 GLN 65 -8.427 8.926 -15.044 420 HG3 GLN 65 HG1 GLN 65 -7.246 8.914 -16.351 421 HE21 GLN 65 HE21 GLN 65 -9.900 10.105 -16.251 422 HE22 GLN 65 HE22 GLN 65 -10.791 9.403 -17.556 423 HA PRO 66 HA PRO 66 -7.853 2.522 -12.935 424 HB2 PRO 66 HB2 PRO 66 -6.901 1.115 -15.321 425 HB3 PRO 66 HB1 PRO 66 -8.198 0.669 -14.207 426 HG2 PRO 66 HG2 PRO 66 -8.700 1.464 -16.726 427 HG3 PRO 66 HG1 PRO 66 -9.807 1.798 -15.378 428 HD2 PRO 66 HD2 PRO 66 -7.840 3.625 -16.697 429 HD3 PRO 66 HD1 PRO 66 -9.490 3.956 -16.133 430 H ILE 67 HN ILE 67 -5.976 2.328 -11.876 431 HA ILE 67 HA ILE 67 -3.583 3.494 -13.026 432 HB ILE 67 HB ILE 67 -3.764 2.162 -10.332 433 HG12 ILE 67 HG12 ILE 67 -4.428 5.047 -10.970 434 HG13 ILE 67 HG11 ILE 67 -5.614 3.810 -10.560 435 HG21 ILE 67 HG21 ILE 67 -1.536 2.736 -11.142 436 HG22 ILE 67 HG22 ILE 67 -1.982 3.734 -9.756 437 HG23 ILE 67 HG23 ILE 67 -2.047 4.407 -11.387 438 HD11 ILE 67 HD11 ILE 67 -4.322 3.532 -8.387 439 HD12 ILE 67 HD12 ILE 67 -5.265 5.008 -8.585 440 HD13 ILE 67 HD13 ILE 67 -3.517 5.042 -8.809 441 H ASN 68 HN ASN 68 -1.724 2.404 -13.573 442 HA ASN 68 HA ASN 68 -1.990 -0.524 -13.728 443 HB2 ASN 68 HB2 ASN 68 -0.572 1.510 -15.407 444 HB3 ASN 68 HB1 ASN 68 0.070 -0.129 -15.341 445 HD21 ASN 68 HD21 ASN 68 -2.295 1.928 -16.646 446 HD22 ASN 68 HD22 ASN 68 -3.170 0.739 -17.548 447 H GLU 69 HN GLU 69 0.149 -1.713 -13.579 448 HA GLU 69 HA GLU 69 1.348 -1.087 -11.056 449 HB2 GLU 69 HB2 GLU 69 2.060 -3.183 -13.113 450 HB3 GLU 69 HB1 GLU 69 2.716 -3.107 -11.483 451 HG2 GLU 69 HG2 GLU 69 0.689 -3.694 -10.506 452 HG3 GLU 69 HG1 GLU 69 -0.233 -3.269 -11.948 453 H THR 70 HN THR 70 1.884 0.085 -14.095 454 HA THR 70 HA THR 70 4.742 0.564 -13.626 455 HB THR 70 HB THR 70 4.345 1.461 -16.143 456 HG1 THR 70 HG1 THR 70 2.664 0.507 -17.087 457 HG21 THR 70 HG21 THR 70 4.813 -1.400 -15.289 458 HG22 THR 70 HG22 THR 70 6.039 -0.153 -15.515 459 HG23 THR 70 HG23 THR 70 5.141 -0.768 -16.902 460 H ASP 71 HN ASP 71 2.340 1.966 -12.443 461 HA ASP 71 HA ASP 71 2.766 4.661 -13.525 462 HB2 ASP 71 HB2 ASP 71 0.501 3.383 -12.051 463 HB3 ASP 71 HB1 ASP 71 0.728 5.125 -11.931 464 H THR 72 HN THR 72 3.149 6.402 -12.148 465 HA THR 72 HA THR 72 3.977 5.787 -9.411 466 HB THR 72 HB THR 72 5.841 7.650 -10.179 467 HG1 THR 72 HG1 THR 72 6.456 7.309 -12.204 468 HG21 THR 72 HG21 THR 72 6.138 4.642 -10.236 469 HG22 THR 72 HG22 THR 72 6.285 5.672 -8.812 470 HG23 THR 72 HG23 THR 72 7.463 5.799 -10.117 471 HA PRO 73 HA PRO 73 1.944 9.521 -8.154 472 HB2 PRO 73 HB2 PRO 73 4.546 10.571 -7.148 473 HB3 PRO 73 HB1 PRO 73 2.998 10.404 -6.308 474 HG2 PRO 73 HG2 PRO 73 4.961 8.703 -5.800 475 HG3 PRO 73 HG1 PRO 73 3.281 8.140 -5.919 476 HD2 PRO 73 HD2 PRO 73 5.503 7.873 -7.890 477 HD3 PRO 73 HD1 PRO 73 4.207 6.730 -7.480 478 H ALA 74 HN ALA 74 5.205 10.237 -9.440 479 HA ALA 74 HA ALA 74 4.418 12.825 -10.393 480 HB1 ALA 74 HB1 ALA 74 6.630 13.007 -11.270 481 HB2 ALA 74 HB2 ALA 74 6.874 11.264 -11.166 482 HB3 ALA 74 HB3 ALA 74 6.739 12.225 -9.693 483 H GLN 75 HN GLN 75 4.245 9.634 -11.634 484 HA GLN 75 HA GLN 75 4.277 10.270 -14.418 485 HB2 GLN 75 HB2 GLN 75 4.684 7.991 -13.298 486 HB3 GLN 75 HB1 GLN 75 2.936 7.874 -13.169 487 HG2 GLN 75 HG2 GLN 75 3.677 6.670 -15.096 488 HG3 GLN 75 HG1 GLN 75 2.768 8.089 -15.613 489 HE21 GLN 75 HE21 GLN 75 3.774 7.915 -17.650 490 HE22 GLN 75 HE22 GLN 75 5.393 8.471 -17.890 491 H LEU 76 HN LEU 76 1.836 10.076 -11.920 492 HA LEU 76 HA LEU 76 -0.262 10.704 -13.874 493 HB2 LEU 76 HB2 LEU 76 -0.314 9.633 -11.067 494 HB3 LEU 76 HB1 LEU 76 -1.751 10.318 -11.799 495 HG LEU 76 HG LEU 76 -0.233 8.056 -13.081 496 HD11 LEU 76 HD11 LEU 76 -0.880 7.319 -10.872 497 HD12 LEU 76 HD12 LEU 76 -1.904 6.554 -12.087 498 HD13 LEU 76 HD13 LEU 76 -2.525 7.899 -11.129 499 HD21 LEU 76 HD21 LEU 76 -3.065 9.069 -13.373 500 HD22 LEU 76 HD22 LEU 76 -2.385 7.665 -14.194 501 HD23 LEU 76 HD23 LEU 76 -1.755 9.273 -14.538 502 H GLU 77 HN GLU 77 1.889 12.344 -12.160 503 HA GLU 77 HA GLU 77 2.089 14.422 -11.283 504 HB2 GLU 77 HB2 GLU 77 -0.312 14.801 -13.065 505 HB3 GLU 77 HB1 GLU 77 0.409 16.133 -12.170 506 HG2 GLU 77 HG2 GLU 77 1.819 14.418 -14.206 507 HG3 GLU 77 HG1 GLU 77 1.194 16.044 -14.480 508 H MET 78 HN MET 78 0.922 12.604 -9.615 509 HA MET 78 HA MET 78 -1.482 13.605 -8.410 510 HB2 MET 78 HB2 MET 78 0.527 11.614 -7.340 511 HB3 MET 78 HB1 MET 78 -1.102 11.873 -6.730 512 HG2 MET 78 HG2 MET 78 -2.089 10.890 -8.575 513 HG3 MET 78 HG1 MET 78 -0.653 11.092 -9.576 514 HE1 MET 78 HE1 MET 78 -2.411 8.981 -6.782 515 HE2 MET 78 HE2 MET 78 -1.044 9.686 -5.919 516 HE3 MET 78 HE3 MET 78 -1.092 7.949 -6.226 517 H GLU 79 HN GLU 79 -1.712 14.658 -6.468 518 HA GLU 79 HA GLU 79 0.746 15.868 -5.369 519 HB2 GLU 79 HB2 GLU 79 -2.003 17.114 -5.637 520 HB3 GLU 79 HB1 GLU 79 -0.626 17.862 -4.840 521 HG2 GLU 79 HG2 GLU 79 -0.531 17.026 -7.714 522 HG3 GLU 79 HG1 GLU 79 -1.161 18.594 -7.211 523 H ASP 80 HN ASP 80 -0.072 16.948 -3.091 524 HA ASP 80 HA ASP 80 -0.742 14.657 -1.493 525 HB2 ASP 80 HB2 ASP 80 0.816 16.667 -0.879 526 HB3 ASP 80 HB1 ASP 80 -0.685 17.459 -0.410 527 H GLU 81 HN GLU 81 -2.528 14.683 0.077 528 HA GLU 81 HA GLU 81 -4.711 14.874 0.682 529 HB2 GLU 81 HB2 GLU 81 -4.381 17.403 -0.861 530 HB3 GLU 81 HB1 GLU 81 -6.009 16.865 -0.480 531 HG2 GLU 81 HG2 GLU 81 -4.113 16.843 1.768 532 HG3 GLU 81 HG1 GLU 81 -4.515 18.433 1.124 533 H ASP 82 HN ASP 82 -3.618 13.986 -2.224 534 HA ASP 82 HA ASP 82 -6.082 13.782 -3.689 535 HB2 ASP 82 HB2 ASP 82 -3.264 12.943 -4.129 536 HB3 ASP 82 HB1 ASP 82 -4.505 12.023 -4.975 537 H THR 83 HN THR 83 -7.199 11.828 -4.187 538 HA THR 83 HA THR 83 -6.774 9.686 -2.215 539 HB THR 83 HB THR 83 -9.475 10.645 -3.177 540 HG1 THR 83 HG1 THR 83 -9.016 12.229 -1.811 541 HG21 THR 83 HG21 THR 83 -9.393 8.295 -2.472 542 HG22 THR 83 HG22 THR 83 -10.347 9.277 -1.360 543 HG23 THR 83 HG23 THR 83 -8.709 8.789 -0.923 544 H ILE 84 HN ILE 84 -6.856 7.636 -2.946 545 HA ILE 84 HA ILE 84 -7.391 7.229 -5.806 546 HB ILE 84 HB ILE 84 -5.826 5.533 -3.850 547 HG12 ILE 84 HG12 ILE 84 -4.963 7.167 -6.251 548 HG13 ILE 84 HG11 ILE 84 -4.660 7.573 -4.566 549 HG21 ILE 84 HG21 ILE 84 -6.881 4.036 -5.366 550 HG22 ILE 84 HG22 ILE 84 -5.210 4.225 -5.902 551 HG23 ILE 84 HG23 ILE 84 -6.508 5.071 -6.744 552 HD11 ILE 84 HD11 ILE 84 -2.682 6.651 -5.624 553 HD12 ILE 84 HD12 ILE 84 -3.568 5.181 -6.031 554 HD13 ILE 84 HD13 ILE 84 -3.260 5.588 -4.343 555 H ASP 85 HN ASP 85 -8.992 5.880 -6.455 556 HA ASP 85 HA ASP 85 -10.841 4.977 -4.392 557 HB2 ASP 85 HB2 ASP 85 -11.106 5.154 -7.394 558 HB3 ASP 85 HB1 ASP 85 -12.364 4.541 -6.328 559 H VAL 86 HN VAL 86 -11.348 2.903 -3.976 560 HA VAL 86 HA VAL 86 -9.906 0.834 -5.503 561 HB VAL 86 HB VAL 86 -10.678 0.658 -2.587 562 HG11 VAL 86 HG11 VAL 86 -10.485 -1.490 -3.733 563 HG12 VAL 86 HG12 VAL 86 -9.196 -1.275 -2.551 564 HG13 VAL 86 HG13 VAL 86 -8.861 -1.060 -4.268 565 HG21 VAL 86 HG21 VAL 86 -7.988 1.299 -3.788 566 HG22 VAL 86 HG22 VAL 86 -8.297 0.970 -2.084 567 HG23 VAL 86 HG23 VAL 86 -9.003 2.392 -2.848 568 H PHE 87 HN PHE 87 -11.149 -0.614 -6.478 569 HA PHE 87 HA PHE 87 -13.892 -1.057 -5.483 570 HB2 PHE 87 HB2 PHE 87 -12.972 -0.837 -8.362 571 HB3 PHE 87 HB1 PHE 87 -14.568 -1.402 -7.879 572 HD1 PHE 87 HD1 PHE 87 -16.176 0.150 -6.869 573 HD2 PHE 87 HD2 PHE 87 -12.409 1.482 -8.337 574 HE1 PHE 87 HE1 PHE 87 -16.998 2.469 -6.868 575 HE2 PHE 87 HE2 PHE 87 -13.225 3.802 -8.335 576 HZ PHE 87 HZ PHE 87 -15.521 4.299 -7.599 577 H GLN 88 HN GLN 88 -14.775 -3.188 -6.106 578 HA GLN 88 HA GLN 88 -12.644 -5.199 -6.113 579 HB2 GLN 88 HB2 GLN 88 -15.575 -5.471 -5.408 580 HB3 GLN 88 HB1 GLN 88 -14.389 -6.768 -5.334 581 HG2 GLN 88 HG2 GLN 88 -13.111 -5.295 -3.701 582 HG3 GLN 88 HG1 GLN 88 -14.572 -4.310 -3.621 583 HE21 GLN 88 HE21 GLN 88 -14.924 -4.769 -1.463 584 HE22 GLN 88 HE22 GLN 88 -15.459 -6.320 -0.915 585 H GLN 89 HN GLN 89 -12.732 -6.986 -7.547 586 HA GLN 89 HA GLN 89 -13.937 -6.326 -10.100 587 HB2 GLN 89 HB2 GLN 89 -11.599 -7.188 -9.918 588 HB3 GLN 89 HB1 GLN 89 -12.252 -8.722 -9.357 589 HG2 GLN 89 HG2 GLN 89 -11.643 -8.724 -11.747 590 HG3 GLN 89 HG1 GLN 89 -13.339 -9.103 -11.452 591 HE21 GLN 89 HE21 GLN 89 -13.982 -8.522 -13.499 592 HE22 GLN 89 HE22 GLN 89 -14.021 -6.879 -14.040 593 H GLN 90 HN GLN 90 -15.657 -7.252 -10.976 594 HA GLN 90 HA GLN 90 -17.511 -8.645 -9.412 595 HB2 GLN 90 HB2 GLN 90 -17.302 -8.159 -12.374 596 HB3 GLN 90 HB1 GLN 90 -18.639 -9.059 -11.675 597 HG2 GLN 90 HG2 GLN 90 -19.393 -6.846 -11.934 598 HG3 GLN 90 HG1 GLN 90 -19.083 -7.060 -10.214 599 HE21 GLN 90 HE21 GLN 90 -18.853 -4.870 -9.867 600 HE22 GLN 90 HE22 GLN 90 -17.464 -3.984 -10.394 601 H THR 91 HN THR 91 -18.163 -10.740 -9.340 602 HA THR 91 HA THR 91 -16.192 -12.717 -10.183 603 HB THR 91 HB THR 91 -17.975 -14.155 -8.784 604 HG1 THR 91 HG1 THR 91 -19.429 -12.668 -8.167 605 HG21 THR 91 HG21 THR 91 -16.588 -13.718 -6.786 606 HG22 THR 91 HG22 THR 91 -15.875 -12.328 -7.603 607 HG23 THR 91 HG23 THR 91 -15.612 -13.953 -8.235 608 H GLY 92 HN GLY 92 -19.291 -11.530 -11.034 609 HA2 GLY 92 HA2 GLY 92 -20.220 -12.125 -13.178 610 HA3 GLY 92 HA1 GLY 92 -19.593 -13.750 -12.948 611 H1 ASP 195 HN ASP 195 -14.116 5.018 15.499 612 HA ASP 195 HA ASP 195 -15.115 4.760 12.808 613 HB2 ASP 195 HB2 ASP 195 -14.063 7.316 13.790 614 HB3 ASP 195 HB1 ASP 195 -13.213 6.716 12.370 615 H THR 196 HN THR 196 -13.222 4.411 11.277 616 HA THR 196 HA THR 196 -11.011 3.185 12.780 617 HB THR 196 HB THR 196 -11.845 2.280 10.044 618 HG1 THR 196 HG1 THR 196 -12.936 1.521 12.569 619 HG21 THR 196 HG21 THR 196 -10.781 0.200 10.733 620 HG22 THR 196 HG22 THR 196 -10.509 0.855 12.349 621 HG23 THR 196 HG23 THR 196 -9.671 1.553 10.963 622 H ALA 197 HN ALA 197 -9.068 3.977 12.384 623 HA ALA 197 HA ALA 197 -8.598 5.453 9.875 624 HB1 ALA 197 HB1 ALA 197 -7.013 6.880 11.134 625 HB2 ALA 197 HB2 ALA 197 -7.507 6.077 12.625 626 HB3 ALA 197 HB3 ALA 197 -8.674 7.037 11.717 627 H GLY 198 HN GLY 198 -6.904 4.750 8.703 628 HA2 GLY 198 HA2 GLY 198 -5.070 2.834 9.990 629 HA3 GLY 198 HA1 GLY 198 -5.693 2.617 8.356 630 H CYS 199 HN CYS 199 -2.935 3.194 9.750 631 HA CYS 199 HA CYS 199 -2.150 5.270 7.802 632 HB2 CYS 199 HB2 CYS 199 -0.550 4.624 10.269 633 HB3 CYS 199 HB1 CYS 199 -0.552 6.101 9.310 634 HG CYS 199 HG CYS 199 -2.902 7.100 10.260 635 H ILE 200 HN ILE 200 -0.874 4.568 6.222 636 HA ILE 200 HA ILE 200 0.698 2.128 6.668 637 HB ILE 200 HB ILE 200 -1.404 1.823 5.300 638 HG12 ILE 200 HG12 ILE 200 1.243 1.150 4.003 639 HG13 ILE 200 HG11 ILE 200 0.350 0.174 5.165 640 HG21 ILE 200 HG21 ILE 200 0.135 3.379 3.246 641 HG22 ILE 200 HG22 ILE 200 -1.324 3.913 4.079 642 HG23 ILE 200 HG23 ILE 200 -1.386 2.531 2.984 643 HD11 ILE 200 HD11 ILE 200 -1.494 -0.005 3.532 644 HD12 ILE 200 HD12 ILE 200 0.018 -0.750 3.004 645 HD13 ILE 200 HD13 ILE 200 -0.467 0.819 2.356 646 H VAL 201 HN VAL 201 2.852 2.322 6.171 647 HA VAL 201 HA VAL 201 3.591 4.572 4.423 648 HB VAL 201 HB VAL 201 4.259 5.171 6.654 649 HG11 VAL 201 HG11 VAL 201 4.334 3.027 7.731 650 HG12 VAL 201 HG12 VAL 201 5.903 3.808 7.916 651 HG13 VAL 201 HG13 VAL 201 5.695 2.525 6.727 652 HG21 VAL 201 HG21 VAL 201 6.540 5.671 6.277 653 HG22 VAL 201 HG22 VAL 201 5.771 5.628 4.691 654 HG23 VAL 201 HG23 VAL 201 6.749 4.266 5.234 655 H ILE 202 HN ILE 202 4.771 4.070 2.668 656 HA ILE 202 HA ILE 202 6.186 1.493 2.674 657 HB ILE 202 HB ILE 202 5.684 1.120 0.353 658 HG12 ILE 202 HG12 ILE 202 4.453 3.868 0.458 659 HG13 ILE 202 HG11 ILE 202 5.679 3.251 -0.648 660 HG21 ILE 202 HG21 ILE 202 4.034 0.284 1.879 661 HG22 ILE 202 HG22 ILE 202 3.223 0.862 0.426 662 HG23 ILE 202 HG23 ILE 202 3.199 1.835 1.895 663 HD11 ILE 202 HD11 ILE 202 4.052 2.965 -2.113 664 HD12 ILE 202 HD12 ILE 202 2.810 3.258 -0.894 665 HD13 ILE 202 HD13 ILE 202 3.474 1.639 -1.102 666 H SEP 203 HN SEP 203 8.285 1.609 2.226 667 HA SEP 203 HA SEP 203 9.301 4.085 0.991 668 HB2 SEP 203 HB1 SEP 203 11.408 3.578 2.316 669 HB3 SEP 203 HB2 SEP 203 10.464 2.387 3.205 670 H ASP 204 HN ASP 204 10.445 3.804 -0.848 671 HA ASP 204 HA ASP 204 11.542 1.120 -1.366 672 HB2 ASP 204 HB2 ASP 204 9.557 2.115 -2.846 673 HB3 ASP 204 HB1 ASP 204 10.899 2.924 -3.653 674 H SEP 205 HN SEP 205 13.673 1.049 -1.632 675 HA SEP 205 HA SEP 205 15.090 3.552 -2.250 676 HB2 SEP 205 HB1 SEP 205 15.814 3.281 -0.108 677 HB3 SEP 205 HB2 SEP 205 16.957 2.182 -0.880 678 H GLU 206 HN GLU 206 16.457 3.492 -3.934 679 HA GLU 206 HA GLU 206 16.625 1.119 -5.520 680 HB2 GLU 206 HB2 GLU 206 16.536 3.384 -6.509 681 HB3 GLU 206 HB1 GLU 206 18.117 3.728 -5.821 682 HG2 GLU 206 HG2 GLU 206 18.457 3.173 -8.098 683 HG3 GLU 206 HG1 GLU 206 19.007 1.795 -7.145 Start of MODEL 17 1 H1 ASP 16 HN ASP 16 10.604 13.238 -1.151 2 HA ASP 16 HA ASP 16 9.669 15.003 0.943 3 HB2 ASP 16 HB2 ASP 16 9.761 16.266 -1.367 4 HB3 ASP 16 HB1 ASP 16 8.309 15.335 -1.710 5 H HIS 17 HN HIS 17 7.963 14.118 1.952 6 HA HIS 17 HA HIS 17 6.919 11.612 0.904 7 HB2 HIS 17 HB2 HIS 17 7.029 12.916 3.573 8 HB3 HIS 17 HB1 HIS 17 5.661 11.852 3.266 9 HD2 HIS 17 HD2 HIS 17 6.815 9.289 2.003 10 HE1 HIS 17 HE1 HIS 17 9.898 9.467 4.892 11 HE2 HIS 17 HE2 HIS 17 8.711 7.980 3.214 12 H ILE 18 HN ILE 18 5.081 11.503 -0.163 13 HA ILE 18 HA ILE 18 3.264 13.799 -0.078 14 HB ILE 18 HB ILE 18 4.033 13.146 -2.294 15 HG12 ILE 18 HG12 ILE 18 1.129 12.395 -1.944 16 HG13 ILE 18 HG11 ILE 18 1.736 14.045 -2.012 17 HG21 ILE 18 HG21 ILE 18 3.367 10.991 -3.294 18 HG22 ILE 18 HG22 ILE 18 2.795 10.465 -1.711 19 HG23 ILE 18 HG23 ILE 18 4.506 10.815 -1.960 20 HD11 ILE 18 HD11 ILE 18 0.823 13.403 -4.148 21 HD12 ILE 18 HD12 ILE 18 1.887 11.998 -4.210 22 HD13 ILE 18 HD13 ILE 18 2.567 13.623 -4.283 23 H ASN 19 HN ASN 19 1.355 13.681 0.926 24 HA ASN 19 HA ASN 19 0.621 11.149 2.161 25 HB2 ASN 19 HB2 ASN 19 -0.049 14.007 2.626 26 HB3 ASN 19 HB1 ASN 19 -1.257 12.811 3.084 27 HD21 ASN 19 HD21 ASN 19 0.878 14.641 4.424 28 HD22 ASN 19 HD22 ASN 19 1.543 13.612 5.641 29 H LEU 20 HN LEU 20 -0.431 9.837 0.847 30 HA LEU 20 HA LEU 20 -2.601 10.921 -0.809 31 HB2 LEU 20 HB2 LEU 20 -1.190 8.248 -0.920 32 HB3 LEU 20 HB1 LEU 20 -2.488 8.746 -1.989 33 HG LEU 20 HG LEU 20 0.163 10.176 -1.800 34 HD11 LEU 20 HD11 LEU 20 0.728 9.085 -3.903 35 HD12 LEU 20 HD12 LEU 20 -0.765 8.147 -3.828 36 HD13 LEU 20 HD13 LEU 20 0.492 7.905 -2.616 37 HD21 LEU 20 HD21 LEU 20 -2.142 10.359 -3.733 38 HD22 LEU 20 HD22 LEU 20 -0.575 11.131 -3.971 39 HD23 LEU 20 HD23 LEU 20 -1.595 11.606 -2.612 40 H LYS 21 HN LYS 21 -4.649 9.740 -0.837 41 HA LYS 21 HA LYS 21 -5.120 8.346 1.717 42 HB2 LYS 21 HB2 LYS 21 -7.040 10.192 0.296 43 HB3 LYS 21 HB1 LYS 21 -7.332 9.362 1.817 44 HG2 LYS 21 HG2 LYS 21 -5.626 10.657 2.912 45 HG3 LYS 21 HG1 LYS 21 -5.171 11.409 1.382 46 HD2 LYS 21 HD2 LYS 21 -7.453 12.362 1.226 47 HD3 LYS 21 HD1 LYS 21 -7.807 11.689 2.818 48 HE2 LYS 21 HE2 LYS 21 -6.070 13.041 3.816 49 HE3 LYS 21 HE1 LYS 21 -5.594 13.643 2.231 50 HZ1 LYS 21 HZ1 LYS 21 -8.155 14.157 3.630 51 HZ2 LYS 21 HZ2 LYS 21 -7.847 14.607 2.029 52 HZ3 LYS 21 HZ3 LYS 21 -6.931 15.278 3.287 53 H VAL 22 HN VAL 22 -6.285 6.536 1.712 54 HA VAL 22 HA VAL 22 -7.319 5.586 -0.876 55 HB VAL 22 HB VAL 22 -6.212 4.070 1.494 56 HG11 VAL 22 HG11 VAL 22 -8.217 2.900 0.807 57 HG12 VAL 22 HG12 VAL 22 -6.789 1.996 0.300 58 HG13 VAL 22 HG13 VAL 22 -7.694 2.945 -0.877 59 HG21 VAL 22 HG21 VAL 22 -4.612 4.925 -0.158 60 HG22 VAL 22 HG22 VAL 22 -5.472 4.055 -1.428 61 HG23 VAL 22 HG23 VAL 22 -4.664 3.163 -0.140 62 H ALA 23 HN ALA 23 -9.465 5.582 -1.016 63 HA ALA 23 HA ALA 23 -11.025 5.517 1.474 64 HB1 ALA 23 HB1 ALA 23 -11.832 6.573 -1.234 65 HB2 ALA 23 HB2 ALA 23 -11.311 7.549 0.139 66 HB3 ALA 23 HB3 ALA 23 -12.807 6.621 0.235 67 H GLY 24 HN GLY 24 -11.856 3.607 1.912 68 HA2 GLY 24 HA2 GLY 24 -12.404 1.720 -0.250 69 HA3 GLY 24 HA1 GLY 24 -12.392 1.356 1.471 70 H GLN 25 HN GLN 25 -14.421 0.379 -0.015 71 HA GLN 25 HA GLN 25 -16.695 2.086 -0.151 72 HB2 GLN 25 HB2 GLN 25 -16.628 -0.937 -0.034 73 HB3 GLN 25 HB1 GLN 25 -17.949 0.056 -0.629 74 HG2 GLN 25 HG2 GLN 25 -15.210 -0.003 -1.868 75 HG3 GLN 25 HG1 GLN 25 -16.554 -1.015 -2.396 76 HE21 GLN 25 HE21 GLN 25 -15.021 1.132 -3.762 77 HE22 GLN 25 HE22 GLN 25 -16.214 2.269 -4.304 78 H ASP 26 HN ASP 26 -15.181 0.376 2.378 79 HA ASP 26 HA ASP 26 -17.472 0.050 4.070 80 HB2 ASP 26 HB2 ASP 26 -15.626 -1.455 4.371 81 HB3 ASP 26 HB1 ASP 26 -14.501 -0.118 4.586 82 H GLY 27 HN GLY 27 -15.128 2.559 3.505 83 HA2 GLY 27 HA2 GLY 27 -15.723 4.827 4.123 84 HA3 GLY 27 HA1 GLY 27 -16.453 4.177 5.586 85 H SER 28 HN SER 28 -13.946 2.332 5.527 86 HA SER 28 HA SER 28 -12.443 3.768 7.461 87 HB2 SER 28 HB2 SER 28 -10.825 1.693 6.571 88 HB3 SER 28 HB1 SER 28 -12.011 1.587 7.873 89 HG SER 28 HG SER 28 -13.396 0.575 6.580 90 H VAL 29 HN VAL 29 -10.961 5.301 7.076 91 HA VAL 29 HA VAL 29 -9.866 5.538 4.376 92 HB VAL 29 HB VAL 29 -10.930 7.547 5.211 93 HG11 VAL 29 HG11 VAL 29 -8.963 7.442 7.491 94 HG12 VAL 29 HG12 VAL 29 -10.702 7.169 7.599 95 HG13 VAL 29 HG13 VAL 29 -10.084 8.762 7.158 96 HG21 VAL 29 HG21 VAL 29 -9.130 9.155 4.896 97 HG22 VAL 29 HG22 VAL 29 -8.957 7.807 3.771 98 HG23 VAL 29 HG23 VAL 29 -7.930 7.898 5.202 99 H VAL 30 HN VAL 30 -7.768 5.274 3.919 100 HA VAL 30 HA VAL 30 -5.924 4.803 6.175 101 HB VAL 30 HB VAL 30 -5.712 3.490 3.455 102 HG11 VAL 30 HG11 VAL 30 -4.054 2.064 4.509 103 HG12 VAL 30 HG12 VAL 30 -4.327 2.862 6.059 104 HG13 VAL 30 HG13 VAL 30 -3.611 3.759 4.722 105 HG21 VAL 30 HG21 VAL 30 -6.460 1.420 4.584 106 HG22 VAL 30 HG22 VAL 30 -7.714 2.658 4.526 107 HG23 VAL 30 HG23 VAL 30 -6.830 2.369 6.024 108 H GLN 31 HN GLN 31 -4.266 6.145 6.272 109 HA GLN 31 HA GLN 31 -3.782 7.991 4.078 110 HB2 GLN 31 HB2 GLN 31 -3.909 8.650 6.545 111 HB3 GLN 31 HB1 GLN 31 -2.339 7.882 6.728 112 HG2 GLN 31 HG2 GLN 31 -1.316 9.438 5.243 113 HG3 GLN 31 HG1 GLN 31 -2.882 10.096 4.768 114 HE21 GLN 31 HE21 GLN 31 -0.536 11.404 5.924 115 HE22 GLN 31 HE22 GLN 31 -1.090 12.178 7.371 116 H PHE 32 HN PHE 32 -2.400 7.483 2.549 117 HA PHE 32 HA PHE 32 -0.382 5.429 3.026 118 HB2 PHE 32 HB2 PHE 32 -1.994 6.193 0.799 119 HB3 PHE 32 HB1 PHE 32 -0.307 6.414 0.344 120 HD1 PHE 32 HD1 PHE 32 -2.965 4.096 0.696 121 HD2 PHE 32 HD2 PHE 32 1.276 4.423 0.776 122 HE1 PHE 32 HE1 PHE 32 -2.772 1.679 0.282 123 HE2 PHE 32 HE2 PHE 32 1.477 2.010 0.362 124 HZ PHE 32 HZ PHE 32 -0.550 0.631 0.115 125 H LYS 33 HN LYS 33 1.487 6.118 3.787 126 HA LYS 33 HA LYS 33 2.529 8.732 2.967 127 HB2 LYS 33 HB2 LYS 33 2.597 8.381 5.350 128 HB3 LYS 33 HB1 LYS 33 3.356 6.808 5.151 129 HG2 LYS 33 HG2 LYS 33 5.366 7.893 4.267 130 HG3 LYS 33 HG1 LYS 33 4.606 9.468 4.492 131 HD2 LYS 33 HD2 LYS 33 4.916 9.444 6.736 132 HD3 LYS 33 HD1 LYS 33 4.676 7.699 6.857 133 HE2 LYS 33 HE2 LYS 33 6.892 7.250 6.175 134 HE3 LYS 33 HE1 LYS 33 7.135 8.905 5.620 135 HZ1 LYS 33 HZ1 LYS 33 8.183 8.288 7.808 136 HZ2 LYS 33 HZ2 LYS 33 6.625 8.246 8.457 137 HZ3 LYS 33 HZ3 LYS 33 7.230 9.687 7.816 138 H ILE 34 HN ILE 34 3.487 8.550 1.032 139 HA ILE 34 HA ILE 34 5.621 6.552 0.776 140 HB ILE 34 HB ILE 34 4.825 5.564 -1.093 141 HG12 ILE 34 HG12 ILE 34 3.590 8.192 -1.947 142 HG13 ILE 34 HG11 ILE 34 5.138 7.548 -2.484 143 HG21 ILE 34 HG21 ILE 34 2.924 5.468 0.482 144 HG22 ILE 34 HG22 ILE 34 2.431 5.360 -1.207 145 HG23 ILE 34 HG23 ILE 34 2.221 6.869 -0.321 146 HD11 ILE 34 HD11 ILE 34 2.638 5.984 -2.923 147 HD12 ILE 34 HD12 ILE 34 4.161 5.939 -3.812 148 HD13 ILE 34 HD13 ILE 34 3.069 7.309 -4.001 149 H LYS 35 HN LYS 35 7.137 7.109 -1.032 150 HA LYS 35 HA LYS 35 7.661 9.963 -0.963 151 HB2 LYS 35 HB2 LYS 35 9.248 7.676 -2.143 152 HB3 LYS 35 HB1 LYS 35 9.785 9.352 -2.100 153 HG2 LYS 35 HG2 LYS 35 9.071 8.734 0.531 154 HG3 LYS 35 HG1 LYS 35 9.956 7.327 -0.069 155 HD2 LYS 35 HD2 LYS 35 11.823 8.700 -0.694 156 HD3 LYS 35 HD1 LYS 35 10.932 10.172 -0.300 157 HE2 LYS 35 HE2 LYS 35 12.502 9.631 1.467 158 HE3 LYS 35 HE1 LYS 35 10.845 9.477 2.047 159 HZ1 LYS 35 HZ1 LYS 35 12.275 7.118 1.024 160 HZ2 LYS 35 HZ2 LYS 35 10.991 7.190 2.131 161 HZ3 LYS 35 HZ3 LYS 35 12.551 7.653 2.603 162 H ARG 36 HN ARG 36 8.042 11.215 -2.899 163 HA ARG 36 HA ARG 36 6.003 10.802 -4.837 164 HB2 ARG 36 HB2 ARG 36 8.267 12.802 -4.807 165 HB3 ARG 36 HB1 ARG 36 6.875 12.855 -5.882 166 HG2 ARG 36 HG2 ARG 36 5.386 13.095 -3.967 167 HG3 ARG 36 HG1 ARG 36 6.768 13.018 -2.878 168 HD2 ARG 36 HD2 ARG 36 6.242 15.307 -3.105 169 HD3 ARG 36 HD1 ARG 36 7.682 15.035 -4.085 170 HE ARG 36 HE ARG 36 6.324 15.178 -6.043 171 HH11 ARG 36 HH11 ARG 36 4.654 16.042 -3.074 172 HH12 ARG 36 HH12 ARG 36 3.402 16.921 -3.902 173 HH21 ARG 36 HH21 ARG 36 4.681 16.363 -7.103 174 HH22 ARG 36 HH22 ARG 36 3.416 17.108 -6.163 175 H HIS 37 HN HIS 37 9.007 9.393 -4.630 176 HA HIS 37 HA HIS 37 9.056 8.956 -7.542 177 HB2 HIS 37 HB2 HIS 37 11.414 8.779 -7.535 178 HB3 HIS 37 HB1 HIS 37 11.054 10.185 -6.543 179 HD2 HIS 37 HD2 HIS 37 11.102 9.450 -3.649 180 HE1 HIS 37 HE1 HIS 37 14.127 6.599 -4.427 181 HE2 HIS 37 HE2 HIS 37 12.958 7.954 -2.629 182 H THR 38 HN THR 38 7.802 7.597 -5.090 183 HA THR 38 HA THR 38 8.943 4.922 -5.327 184 HB THR 38 HB THR 38 6.939 6.146 -3.432 185 HG1 THR 38 HG1 THR 38 9.586 5.834 -3.429 186 HG21 THR 38 HG21 THR 38 7.777 3.253 -3.643 187 HG22 THR 38 HG22 THR 38 6.148 3.905 -3.818 188 HG23 THR 38 HG23 THR 38 6.953 3.954 -2.251 189 HA PRO 39 HA PRO 39 5.933 3.795 -8.453 190 HB2 PRO 39 HB2 PRO 39 6.478 1.088 -7.349 191 HB3 PRO 39 HB1 PRO 39 6.527 1.653 -9.024 192 HG2 PRO 39 HG2 PRO 39 8.786 1.217 -7.716 193 HG3 PRO 39 HG1 PRO 39 8.618 2.610 -8.808 194 HD2 PRO 39 HD2 PRO 39 8.577 2.542 -5.822 195 HD3 PRO 39 HD1 PRO 39 9.253 3.760 -6.923 196 H LEU 40 HN LEU 40 3.793 3.312 -8.515 197 HA LEU 40 HA LEU 40 2.390 3.265 -6.002 198 HB2 LEU 40 HB2 LEU 40 1.377 3.158 -8.840 199 HB3 LEU 40 HB1 LEU 40 0.369 3.350 -7.424 200 HG LEU 40 HG LEU 40 2.495 5.307 -8.279 201 HD11 LEU 40 HD11 LEU 40 0.685 5.229 -9.896 202 HD12 LEU 40 HD12 LEU 40 0.642 6.732 -8.973 203 HD13 LEU 40 HD13 LEU 40 -0.497 5.436 -8.605 204 HD21 LEU 40 HD21 LEU 40 0.331 5.504 -6.190 205 HD22 LEU 40 HD22 LEU 40 1.447 6.792 -6.645 206 HD23 LEU 40 HD23 LEU 40 2.056 5.325 -5.879 207 H SER 41 HN SER 41 3.795 0.851 -7.733 208 HA SER 41 HA SER 41 1.846 -1.164 -7.826 209 HB2 SER 41 HB2 SER 41 4.154 -2.557 -7.444 210 HB3 SER 41 HB1 SER 41 3.669 -1.875 -8.997 211 HG SER 41 HG SER 41 5.700 -1.120 -8.639 212 H LYS 42 HN LYS 42 4.056 -0.129 -5.278 213 HA LYS 42 HA LYS 42 3.415 -2.232 -3.475 214 HB2 LYS 42 HB2 LYS 42 4.203 0.276 -2.198 215 HB3 LYS 42 HB1 LYS 42 4.943 -1.309 -2.111 216 HG2 LYS 42 HG2 LYS 42 6.133 -0.911 -4.174 217 HG3 LYS 42 HG1 LYS 42 5.324 0.642 -4.369 218 HD2 LYS 42 HD2 LYS 42 7.503 1.066 -3.493 219 HD3 LYS 42 HD1 LYS 42 6.337 1.364 -2.198 220 HE2 LYS 42 HE2 LYS 42 8.203 0.156 -1.292 221 HE3 LYS 42 HE1 LYS 42 6.812 -0.920 -1.338 222 HZ1 LYS 42 HZ1 LYS 42 9.043 -0.877 -3.304 223 HZ2 LYS 42 HZ2 LYS 42 7.692 -1.900 -3.372 224 HZ3 LYS 42 HZ3 LYS 42 8.795 -2.045 -2.099 225 H LEU 43 HN LEU 43 2.039 0.896 -4.173 226 HA LEU 43 HA LEU 43 0.456 1.203 -1.861 227 HB2 LEU 43 HB2 LEU 43 1.041 2.832 -3.848 228 HB3 LEU 43 HB1 LEU 43 -0.447 2.205 -4.529 229 HG LEU 43 HG LEU 43 -0.551 3.236 -1.740 230 HD11 LEU 43 HD11 LEU 43 0.763 4.947 -2.830 231 HD12 LEU 43 HD12 LEU 43 -0.881 5.528 -2.571 232 HD13 LEU 43 HD13 LEU 43 -0.376 5.005 -4.176 233 HD21 LEU 43 HD21 LEU 43 -2.437 3.637 -4.047 234 HD22 LEU 43 HD22 LEU 43 -2.770 3.818 -2.325 235 HD23 LEU 43 HD23 LEU 43 -2.484 2.217 -3.005 236 H MET 44 HN MET 44 -0.074 -0.509 -4.874 237 HA MET 44 HA MET 44 -2.838 -1.069 -4.267 238 HB2 MET 44 HB2 MET 44 -1.015 -2.126 -6.432 239 HB3 MET 44 HB1 MET 44 -2.727 -2.500 -6.307 240 HG2 MET 44 HG2 MET 44 -3.119 0.010 -6.405 241 HG3 MET 44 HG1 MET 44 -1.435 0.132 -6.908 242 HE1 MET 44 HE1 MET 44 -1.426 -1.890 -10.255 243 HE2 MET 44 HE2 MET 44 -1.008 -2.450 -8.635 244 HE3 MET 44 HE3 MET 44 -0.482 -0.857 -9.181 245 H LYS 45 HN LYS 45 0.235 -2.686 -3.849 246 HA LYS 45 HA LYS 45 -1.068 -5.213 -3.240 247 HB2 LYS 45 HB2 LYS 45 1.827 -4.405 -3.367 248 HB3 LYS 45 HB1 LYS 45 1.292 -6.013 -2.890 249 HG2 LYS 45 HG2 LYS 45 0.073 -6.129 -5.097 250 HG3 LYS 45 HG1 LYS 45 0.940 -4.659 -5.549 251 HD2 LYS 45 HD2 LYS 45 2.337 -7.144 -4.598 252 HD3 LYS 45 HD1 LYS 45 1.950 -6.863 -6.297 253 HE2 LYS 45 HE2 LYS 45 3.202 -4.683 -6.096 254 HE3 LYS 45 HE1 LYS 45 3.749 -5.235 -4.511 255 HZ1 LYS 45 HZ1 LYS 45 5.420 -5.808 -6.036 256 HZ2 LYS 45 HZ2 LYS 45 4.324 -6.432 -7.157 257 HZ3 LYS 45 HZ3 LYS 45 4.610 -7.255 -5.709 258 H ALA 46 HN ALA 46 0.760 -2.726 -1.477 259 HA ALA 46 HA ALA 46 1.052 -4.096 0.935 260 HB1 ALA 46 HB1 ALA 46 2.046 -1.846 0.209 261 HB2 ALA 46 HB2 ALA 46 1.643 -2.078 1.909 262 HB3 ALA 46 HB3 ALA 46 0.566 -1.145 0.866 263 H TYR 47 HN TYR 47 -1.590 -1.892 -0.030 264 HA TYR 47 HA TYR 47 -3.056 -2.309 2.376 265 HB2 TYR 47 HB2 TYR 47 -3.414 -0.286 1.100 266 HB3 TYR 47 HB1 TYR 47 -3.910 -1.212 -0.313 267 HD1 TYR 47 HD1 TYR 47 -6.176 -1.450 -0.719 268 HD2 TYR 47 HD2 TYR 47 -4.883 -0.732 3.271 269 HE1 TYR 47 HE1 TYR 47 -8.524 -1.318 0.008 270 HE2 TYR 47 HE2 TYR 47 -7.225 -0.597 4.010 271 HH TYR 47 HH TYR 47 -9.815 -1.649 2.143 272 H CYS 48 HN CYS 48 -2.956 -3.891 -0.736 273 HA CYS 48 HA CYS 48 -5.348 -5.368 -0.530 274 HB2 CYS 48 HB2 CYS 48 -3.953 -5.033 -2.612 275 HB3 CYS 48 HB1 CYS 48 -2.835 -6.230 -1.968 276 HG CYS 48 HG CYS 48 -4.596 -8.344 -2.052 277 H GLU 49 HN GLU 49 -2.000 -6.100 0.362 278 HA GLU 49 HA GLU 49 -2.476 -8.719 1.296 279 HB2 GLU 49 HB2 GLU 49 -0.314 -6.719 1.969 280 HB3 GLU 49 HB1 GLU 49 -0.305 -8.383 2.530 281 HG2 GLU 49 HG2 GLU 49 -0.354 -7.587 -0.372 282 HG3 GLU 49 HG1 GLU 49 1.114 -7.953 0.532 283 H ARG 50 HN ARG 50 -2.643 -5.549 2.813 284 HA ARG 50 HA ARG 50 -2.910 -6.384 5.481 285 HB2 ARG 50 HB2 ARG 50 -3.647 -3.920 3.968 286 HB3 ARG 50 HB1 ARG 50 -4.357 -4.151 5.558 287 HG2 ARG 50 HG2 ARG 50 -2.010 -4.475 6.425 288 HG3 ARG 50 HG1 ARG 50 -1.445 -3.909 4.852 289 HD2 ARG 50 HD2 ARG 50 -2.583 -1.804 5.157 290 HD3 ARG 50 HD1 ARG 50 -3.304 -2.367 6.663 291 HE ARG 50 HE ARG 50 -0.458 -2.484 6.747 292 HH11 ARG 50 HH11 ARG 50 -2.327 0.827 8.046 293 HH12 ARG 50 HH12 ARG 50 -3.185 -0.301 7.044 294 HH21 ARG 50 HH21 ARG 50 0.670 -0.983 8.063 295 HH22 ARG 50 HH22 ARG 50 -0.147 0.445 8.618 296 H GLN 51 HN GLN 51 -5.256 -6.013 2.885 297 HA GLN 51 HA GLN 51 -7.499 -6.636 4.580 298 HB2 GLN 51 HB2 GLN 51 -7.297 -6.482 1.565 299 HB3 GLN 51 HB1 GLN 51 -8.794 -6.652 2.468 300 HG2 GLN 51 HG2 GLN 51 -6.916 -4.304 2.468 301 HG3 GLN 51 HG1 GLN 51 -8.563 -4.369 1.842 302 HE21 GLN 51 HE21 GLN 51 -10.288 -4.291 3.280 303 HE22 GLN 51 HE22 GLN 51 -10.089 -3.814 4.931 304 H GLY 52 HN GLY 52 -5.175 -8.405 2.796 305 HA2 GLY 52 HA2 GLY 52 -4.781 -10.683 2.834 306 HA3 GLY 52 HA1 GLY 52 -6.277 -10.901 3.725 307 H LEU 53 HN LEU 53 -6.018 -9.232 0.655 308 HA LEU 53 HA LEU 53 -7.479 -11.462 -0.596 309 HB2 LEU 53 HB2 LEU 53 -7.861 -8.512 -1.119 310 HB3 LEU 53 HB1 LEU 53 -8.700 -9.815 -1.936 311 HG LEU 53 HG LEU 53 -8.936 -9.222 1.015 312 HD11 LEU 53 HD11 LEU 53 -11.147 -8.346 0.481 313 HD12 LEU 53 HD12 LEU 53 -10.842 -8.602 -1.237 314 HD13 LEU 53 HD13 LEU 53 -9.888 -7.423 -0.340 315 HD21 LEU 53 HD21 LEU 53 -9.347 -11.548 0.528 316 HD22 LEU 53 HD22 LEU 53 -10.432 -11.116 -0.793 317 HD23 LEU 53 HD23 LEU 53 -10.878 -10.743 0.872 318 H SER 54 HN SER 54 -7.413 -11.162 -3.096 319 HA SER 54 HA SER 54 -4.601 -10.971 -3.812 320 HB2 SER 54 HB2 SER 54 -5.743 -12.943 -4.593 321 HB3 SER 54 HB1 SER 54 -7.029 -11.977 -5.312 322 HG SER 54 HG SER 54 -5.210 -12.835 -6.694 323 H MET 55 HN MET 55 -3.773 -9.552 -5.331 324 HA MET 55 HA MET 55 -5.037 -7.033 -5.551 325 HB2 MET 55 HB2 MET 55 -2.495 -7.773 -5.739 326 HB3 MET 55 HB1 MET 55 -2.875 -7.790 -7.456 327 HG2 MET 55 HG2 MET 55 -3.826 -5.421 -7.019 328 HG3 MET 55 HG1 MET 55 -2.855 -5.489 -5.550 329 HE1 MET 55 HE1 MET 55 -2.430 -6.654 -9.293 330 HE2 MET 55 HE2 MET 55 -1.295 -5.435 -9.874 331 HE3 MET 55 HE3 MET 55 -2.912 -4.958 -9.361 332 H ARG 56 HN ARG 56 -5.261 -9.904 -7.395 333 HA ARG 56 HA ARG 56 -6.168 -8.608 -9.812 334 HB2 ARG 56 HB2 ARG 56 -5.658 -11.400 -8.945 335 HB3 ARG 56 HB1 ARG 56 -6.879 -11.175 -10.191 336 HG2 ARG 56 HG2 ARG 56 -5.224 -9.929 -11.537 337 HG3 ARG 56 HG1 ARG 56 -4.008 -10.280 -10.308 338 HD2 ARG 56 HD2 ARG 56 -3.821 -11.854 -12.138 339 HD3 ARG 56 HD1 ARG 56 -4.352 -12.683 -10.675 340 HE ARG 56 HE ARG 56 -6.688 -12.199 -11.855 341 HH11 ARG 56 HH11 ARG 56 -3.696 -13.453 -13.181 342 HH12 ARG 56 HH12 ARG 56 -4.485 -14.398 -14.407 343 HH21 ARG 56 HH21 ARG 56 -7.731 -13.446 -13.476 344 HH22 ARG 56 HH22 ARG 56 -6.770 -14.390 -14.573 345 H GLN 57 HN GLN 57 -7.542 -9.359 -6.840 346 HA GLN 57 HA GLN 57 -10.216 -9.840 -7.891 347 HB2 GLN 57 HB2 GLN 57 -9.573 -11.113 -5.932 348 HB3 GLN 57 HB1 GLN 57 -9.169 -9.640 -5.060 349 HG2 GLN 57 HG2 GLN 57 -11.636 -9.004 -5.422 350 HG3 GLN 57 HG1 GLN 57 -11.865 -10.711 -5.797 351 HE21 GLN 57 HE21 GLN 57 -12.899 -9.094 -3.591 352 HE22 GLN 57 HE22 GLN 57 -12.377 -9.890 -2.146 353 H ILE 58 HN ILE 58 -8.302 -7.242 -6.610 354 HA ILE 58 HA ILE 58 -10.693 -5.530 -6.581 355 HB ILE 58 HB ILE 58 -9.389 -3.978 -5.146 356 HG12 ILE 58 HG12 ILE 58 -7.414 -6.277 -5.061 357 HG13 ILE 58 HG11 ILE 58 -7.130 -4.690 -5.770 358 HG21 ILE 58 HG21 ILE 58 -9.674 -5.245 -3.109 359 HG22 ILE 58 HG22 ILE 58 -9.668 -6.758 -4.014 360 HG23 ILE 58 HG23 ILE 58 -10.990 -5.611 -4.223 361 HD11 ILE 58 HD11 ILE 58 -7.568 -5.310 -2.861 362 HD12 ILE 58 HD12 ILE 58 -7.419 -3.686 -3.532 363 HD13 ILE 58 HD13 ILE 58 -6.063 -4.808 -3.629 364 H ARG 59 HN ARG 59 -10.174 -3.185 -7.090 365 HA ARG 59 HA ARG 59 -8.084 -2.894 -9.122 366 HB2 ARG 59 HB2 ARG 59 -11.013 -2.273 -9.549 367 HB3 ARG 59 HB1 ARG 59 -9.728 -1.676 -10.588 368 HG2 ARG 59 HG2 ARG 59 -10.386 -4.576 -10.118 369 HG3 ARG 59 HG1 ARG 59 -10.858 -3.629 -11.529 370 HD2 ARG 59 HD2 ARG 59 -8.444 -3.223 -11.988 371 HD3 ARG 59 HD1 ARG 59 -8.053 -4.317 -10.660 372 HE ARG 59 HE ARG 59 -9.053 -5.032 -13.282 373 HH11 ARG 59 HH11 ARG 59 -8.480 -6.055 -9.983 374 HH12 ARG 59 HH12 ARG 59 -8.522 -7.750 -10.372 375 HH21 ARG 59 HH21 ARG 59 -9.091 -7.259 -13.794 376 HH22 ARG 59 HH22 ARG 59 -8.858 -8.434 -12.539 377 H PHE 60 HN PHE 60 -7.261 -0.821 -9.273 378 HA PHE 60 HA PHE 60 -8.380 1.115 -7.351 379 HB2 PHE 60 HB2 PHE 60 -5.505 0.616 -8.138 380 HB3 PHE 60 HB1 PHE 60 -6.033 2.008 -7.198 381 HD1 PHE 60 HD1 PHE 60 -5.485 -1.602 -7.184 382 HD2 PHE 60 HD2 PHE 60 -6.739 1.764 -4.903 383 HE1 PHE 60 HE1 PHE 60 -5.281 -2.922 -5.120 384 HE2 PHE 60 HE2 PHE 60 -6.538 0.446 -2.834 385 HZ PHE 60 HZ PHE 60 -5.807 -1.904 -2.942 386 H ARG 61 HN ARG 61 -8.855 3.114 -8.084 387 HA ARG 61 HA ARG 61 -7.969 3.802 -10.803 388 HB2 ARG 61 HB2 ARG 61 -10.758 3.911 -9.682 389 HB3 ARG 61 HB1 ARG 61 -10.273 4.936 -11.025 390 HG2 ARG 61 HG2 ARG 61 -9.596 2.864 -12.249 391 HG3 ARG 61 HG1 ARG 61 -10.336 1.931 -10.947 392 HD2 ARG 61 HD2 ARG 61 -12.488 2.842 -11.419 393 HD3 ARG 61 HD1 ARG 61 -11.807 4.029 -12.531 394 HE ARG 61 HE ARG 61 -11.273 1.318 -13.305 395 HH11 ARG 61 HH11 ARG 61 -14.404 3.308 -14.859 396 HH12 ARG 61 HH12 ARG 61 -13.638 3.899 -13.420 397 HH21 ARG 61 HH21 ARG 61 -12.270 0.549 -15.221 398 HH22 ARG 61 HH22 ARG 61 -13.629 1.403 -15.879 399 H PHE 62 HN PHE 62 -7.389 5.850 -11.161 400 HA PHE 62 HA PHE 62 -7.815 7.824 -9.029 401 HB2 PHE 62 HB2 PHE 62 -5.524 7.082 -8.755 402 HB3 PHE 62 HB1 PHE 62 -5.217 7.258 -10.481 403 HD1 PHE 62 HD1 PHE 62 -6.151 9.202 -7.457 404 HD2 PHE 62 HD2 PHE 62 -4.345 9.242 -11.312 405 HE1 PHE 62 HE1 PHE 62 -5.409 11.518 -7.079 406 HE2 PHE 62 HE2 PHE 62 -3.602 11.556 -10.941 407 HZ PHE 62 HZ PHE 62 -4.129 12.697 -8.820 408 H ASP 63 HN ASP 63 -8.596 9.692 -9.776 409 HA ASP 63 HA ASP 63 -9.377 11.295 -11.182 410 HB2 ASP 63 HB2 ASP 63 -6.874 11.411 -11.730 411 HB3 ASP 63 HB1 ASP 63 -7.254 10.470 -13.167 412 H GLY 64 HN GLY 64 -10.193 8.438 -11.356 413 HA2 GLY 64 HA2 GLY 64 -11.966 7.442 -12.478 414 HA3 GLY 64 HA1 GLY 64 -11.876 8.709 -13.691 415 H GLN 65 HN GLN 65 -8.811 7.545 -13.298 416 HA GLN 65 HA GLN 65 -9.145 5.744 -15.599 417 HB2 GLN 65 HB2 GLN 65 -6.637 7.187 -14.720 418 HB3 GLN 65 HB1 GLN 65 -6.856 6.261 -16.199 419 HG2 GLN 65 HG2 GLN 65 -8.243 8.836 -15.486 420 HG3 GLN 65 HG1 GLN 65 -6.938 8.636 -16.652 421 HE21 GLN 65 HE21 GLN 65 -9.679 9.643 -16.965 422 HE22 GLN 65 HE22 GLN 65 -10.391 8.679 -18.212 423 HA PRO 66 HA PRO 66 -7.835 2.359 -13.037 424 HB2 PRO 66 HB2 PRO 66 -6.800 1.091 -15.472 425 HB3 PRO 66 HB1 PRO 66 -8.119 0.572 -14.416 426 HG2 PRO 66 HG2 PRO 66 -8.582 1.506 -16.882 427 HG3 PRO 66 HG1 PRO 66 -9.700 1.802 -15.533 428 HD2 PRO 66 HD2 PRO 66 -7.671 3.642 -16.736 429 HD3 PRO 66 HD1 PRO 66 -9.324 3.984 -16.185 430 H ILE 67 HN ILE 67 -6.040 2.074 -11.880 431 HA ILE 67 HA ILE 67 -3.548 3.202 -12.832 432 HB ILE 67 HB ILE 67 -4.119 1.816 -10.209 433 HG12 ILE 67 HG12 ILE 67 -4.149 4.769 -10.875 434 HG13 ILE 67 HG11 ILE 67 -5.573 3.783 -10.564 435 HG21 ILE 67 HG21 ILE 67 -2.134 2.984 -9.406 436 HG22 ILE 67 HG22 ILE 67 -1.879 3.671 -11.010 437 HG23 ILE 67 HG23 ILE 67 -1.742 1.929 -10.763 438 HD11 ILE 67 HD11 ILE 67 -4.664 3.341 -8.283 439 HD12 ILE 67 HD12 ILE 67 -5.092 5.022 -8.597 440 HD13 ILE 67 HD13 ILE 67 -3.401 4.524 -8.624 441 H ASN 68 HN ASN 68 -1.707 2.092 -13.333 442 HA ASN 68 HA ASN 68 -2.005 -0.805 -13.683 443 HB2 ASN 68 HB2 ASN 68 -0.437 1.308 -15.110 444 HB3 ASN 68 HB1 ASN 68 0.151 -0.351 -15.132 445 HD21 ASN 68 HD21 ASN 68 -1.276 1.651 -17.043 446 HD22 ASN 68 HD22 ASN 68 -2.444 0.648 -17.830 447 H GLU 69 HN GLU 69 0.440 -1.783 -13.746 448 HA GLU 69 HA GLU 69 1.387 -1.343 -11.016 449 HB2 GLU 69 HB2 GLU 69 2.001 -3.545 -12.990 450 HB3 GLU 69 HB1 GLU 69 2.604 -3.473 -11.339 451 HG2 GLU 69 HG2 GLU 69 0.337 -3.616 -10.482 452 HG3 GLU 69 HG1 GLU 69 -0.298 -3.620 -12.126 453 H THR 70 HN THR 70 2.028 0.194 -13.661 454 HA THR 70 HA THR 70 4.915 0.359 -13.129 455 HB THR 70 HB THR 70 5.026 0.995 -15.670 456 HG1 THR 70 HG1 THR 70 3.285 0.567 -16.775 457 HG21 THR 70 HG21 THR 70 4.664 -1.869 -14.775 458 HG22 THR 70 HG22 THR 70 6.161 -0.940 -14.679 459 HG23 THR 70 HG23 THR 70 5.470 -1.344 -16.251 460 H ASP 71 HN ASP 71 2.879 1.982 -12.004 461 HA ASP 71 HA ASP 71 3.382 4.539 -13.384 462 HB2 ASP 71 HB2 ASP 71 0.902 3.518 -12.030 463 HB3 ASP 71 HB1 ASP 71 1.201 5.250 -12.153 464 H THR 72 HN THR 72 3.645 6.382 -12.095 465 HA THR 72 HA THR 72 4.299 5.894 -9.268 466 HB THR 72 HB THR 72 6.004 7.900 -9.855 467 HG1 THR 72 HG1 THR 72 6.232 6.271 -12.160 468 HG21 THR 72 HG21 THR 72 6.522 4.949 -10.207 469 HG22 THR 72 HG22 THR 72 6.671 5.883 -8.720 470 HG23 THR 72 HG23 THR 72 7.784 6.175 -10.057 471 HA PRO 73 HA PRO 73 1.825 9.403 -8.178 472 HB2 PRO 73 HB2 PRO 73 4.206 10.715 -6.971 473 HB3 PRO 73 HB1 PRO 73 2.641 10.333 -6.239 474 HG2 PRO 73 HG2 PRO 73 4.781 8.893 -5.633 475 HG3 PRO 73 HG1 PRO 73 3.192 8.129 -5.841 476 HD2 PRO 73 HD2 PRO 73 5.523 8.159 -7.697 477 HD3 PRO 73 HD1 PRO 73 4.364 6.858 -7.359 478 H ALA 74 HN ALA 74 5.086 10.425 -9.177 479 HA ALA 74 HA ALA 74 4.283 12.954 -10.159 480 HB1 ALA 74 HB1 ALA 74 6.512 12.967 -11.259 481 HB2 ALA 74 HB2 ALA 74 6.729 11.293 -10.752 482 HB3 ALA 74 HB3 ALA 74 6.578 12.568 -9.544 483 H GLN 75 HN GLN 75 4.522 9.770 -11.588 484 HA GLN 75 HA GLN 75 4.322 10.495 -14.303 485 HB2 GLN 75 HB2 GLN 75 5.067 8.306 -13.767 486 HB3 GLN 75 HB1 GLN 75 3.648 7.983 -12.786 487 HG2 GLN 75 HG2 GLN 75 3.407 6.746 -14.776 488 HG3 GLN 75 HG1 GLN 75 2.286 8.101 -14.885 489 HE21 GLN 75 HE21 GLN 75 2.240 7.845 -17.138 490 HE22 GLN 75 HE22 GLN 75 3.539 8.402 -18.133 491 H LEU 76 HN LEU 76 1.878 9.841 -11.835 492 HA LEU 76 HA LEU 76 -0.250 10.251 -13.787 493 HB2 LEU 76 HB2 LEU 76 -0.258 9.370 -10.913 494 HB3 LEU 76 HB1 LEU 76 -1.733 9.742 -11.786 495 HG LEU 76 HG LEU 76 0.238 7.543 -12.429 496 HD11 LEU 76 HD11 LEU 76 -1.191 7.069 -10.517 497 HD12 LEU 76 HD12 LEU 76 -1.644 6.068 -11.896 498 HD13 LEU 76 HD13 LEU 76 -2.621 7.473 -11.466 499 HD21 LEU 76 HD21 LEU 76 -1.527 6.892 -14.113 500 HD22 LEU 76 HD22 LEU 76 -0.564 8.312 -14.517 501 HD23 LEU 76 HD23 LEU 76 -2.205 8.506 -13.898 502 H GLU 77 HN GLU 77 1.656 12.280 -12.218 503 HA GLU 77 HA GLU 77 1.536 14.444 -11.515 504 HB2 GLU 77 HB2 GLU 77 -1.096 14.360 -13.005 505 HB3 GLU 77 HB1 GLU 77 -0.311 15.826 -12.441 506 HG2 GLU 77 HG2 GLU 77 1.114 13.944 -14.273 507 HG3 GLU 77 HG1 GLU 77 -0.043 15.118 -14.900 508 H MET 78 HN MET 78 0.822 12.591 -9.623 509 HA MET 78 HA MET 78 -1.649 13.422 -8.354 510 HB2 MET 78 HB2 MET 78 0.483 11.519 -7.368 511 HB3 MET 78 HB1 MET 78 -1.127 11.715 -6.688 512 HG2 MET 78 HG2 MET 78 -2.150 10.761 -8.587 513 HG3 MET 78 HG1 MET 78 -0.664 10.860 -9.526 514 HE1 MET 78 HE1 MET 78 -2.696 8.939 -6.835 515 HE2 MET 78 HE2 MET 78 -1.391 9.601 -5.849 516 HE3 MET 78 HE3 MET 78 -1.490 7.863 -6.128 517 H GLU 79 HN GLU 79 -1.834 14.559 -6.463 518 HA GLU 79 HA GLU 79 0.645 15.769 -5.430 519 HB2 GLU 79 HB2 GLU 79 -1.611 17.052 -6.594 520 HB3 GLU 79 HB1 GLU 79 -1.610 17.432 -4.878 521 HG2 GLU 79 HG2 GLU 79 0.603 17.931 -6.853 522 HG3 GLU 79 HG1 GLU 79 -0.398 19.133 -6.037 523 H ASP 80 HN ASP 80 0.035 16.859 -3.185 524 HA ASP 80 HA ASP 80 -0.553 14.697 -1.436 525 HB2 ASP 80 HB2 ASP 80 0.956 16.724 -0.995 526 HB3 ASP 80 HB1 ASP 80 -0.523 17.616 -0.666 527 H GLU 81 HN GLU 81 -2.313 14.366 -0.092 528 HA GLU 81 HA GLU 81 -4.427 14.471 0.724 529 HB2 GLU 81 HB2 GLU 81 -4.494 17.105 -0.727 530 HB3 GLU 81 HB1 GLU 81 -5.916 16.445 0.065 531 HG2 GLU 81 HG2 GLU 81 -3.540 16.483 1.760 532 HG3 GLU 81 HG1 GLU 81 -4.065 18.078 1.224 533 H ASP 82 HN ASP 82 -3.563 13.871 -2.340 534 HA ASP 82 HA ASP 82 -6.111 13.770 -3.630 535 HB2 ASP 82 HB2 ASP 82 -3.359 13.011 -4.313 536 HB3 ASP 82 HB1 ASP 82 -4.581 11.942 -4.995 537 H THR 83 HN THR 83 -7.481 12.028 -3.950 538 HA THR 83 HA THR 83 -7.038 9.769 -2.112 539 HB THR 83 HB THR 83 -9.735 10.696 -3.085 540 HG1 THR 83 HG1 THR 83 -8.142 12.146 -1.640 541 HG21 THR 83 HG21 THR 83 -9.618 8.457 -2.092 542 HG22 THR 83 HG22 THR 83 -10.518 9.562 -1.055 543 HG23 THR 83 HG23 THR 83 -8.855 9.133 -0.653 544 H ILE 84 HN ILE 84 -7.401 7.709 -2.796 545 HA ILE 84 HA ILE 84 -7.917 7.329 -5.676 546 HB ILE 84 HB ILE 84 -6.262 5.600 -3.829 547 HG12 ILE 84 HG12 ILE 84 -5.426 7.376 -6.132 548 HG13 ILE 84 HG11 ILE 84 -5.158 7.720 -4.427 549 HG21 ILE 84 HG21 ILE 84 -7.328 4.204 -5.451 550 HG22 ILE 84 HG22 ILE 84 -5.640 4.404 -5.925 551 HG23 ILE 84 HG23 ILE 84 -6.904 5.311 -6.757 552 HD11 ILE 84 HD11 ILE 84 -3.805 5.615 -4.323 553 HD12 ILE 84 HD12 ILE 84 -3.126 6.908 -5.310 554 HD13 ILE 84 HD13 ILE 84 -3.927 5.539 -6.082 555 H ASP 85 HN ASP 85 -9.535 5.981 -6.251 556 HA ASP 85 HA ASP 85 -11.265 5.001 -4.137 557 HB2 ASP 85 HB2 ASP 85 -11.589 5.065 -7.143 558 HB3 ASP 85 HB1 ASP 85 -12.793 4.413 -6.037 559 H VAL 86 HN VAL 86 -11.786 2.898 -3.748 560 HA VAL 86 HA VAL 86 -10.119 0.873 -5.089 561 HB VAL 86 HB VAL 86 -11.367 0.617 -2.350 562 HG11 VAL 86 HG11 VAL 86 -10.846 -1.486 -3.474 563 HG12 VAL 86 HG12 VAL 86 -9.796 -1.228 -2.081 564 HG13 VAL 86 HG13 VAL 86 -9.182 -0.956 -3.711 565 HG21 VAL 86 HG21 VAL 86 -8.562 1.460 -3.071 566 HG22 VAL 86 HG22 VAL 86 -9.112 1.048 -1.448 567 HG23 VAL 86 HG23 VAL 86 -9.787 2.452 -2.277 568 H PHE 87 HN PHE 87 -11.171 -0.480 -6.367 569 HA PHE 87 HA PHE 87 -14.026 -1.003 -5.835 570 HB2 PHE 87 HB2 PHE 87 -12.582 -0.864 -8.492 571 HB3 PHE 87 HB1 PHE 87 -14.249 -1.386 -8.291 572 HD1 PHE 87 HD1 PHE 87 -15.878 0.289 -7.246 573 HD2 PHE 87 HD2 PHE 87 -12.078 1.367 -8.818 574 HE1 PHE 87 HE1 PHE 87 -16.632 2.620 -7.463 575 HE2 PHE 87 HE2 PHE 87 -12.822 3.701 -9.033 576 HZ PHE 87 HZ PHE 87 -15.102 4.331 -8.353 577 H GLN 88 HN GLN 88 -14.735 -3.120 -6.875 578 HA GLN 88 HA GLN 88 -12.623 -5.138 -6.532 579 HB2 GLN 88 HB2 GLN 88 -15.524 -5.244 -5.704 580 HB3 GLN 88 HB1 GLN 88 -14.518 -6.679 -5.828 581 HG2 GLN 88 HG2 GLN 88 -12.930 -5.242 -4.269 582 HG3 GLN 88 HG1 GLN 88 -14.461 -4.482 -3.846 583 HE21 GLN 88 HE21 GLN 88 -14.434 -5.271 -1.767 584 HE22 GLN 88 HE22 GLN 88 -14.719 -6.937 -1.401 585 H GLN 89 HN GLN 89 -12.961 -7.127 -7.748 586 HA GLN 89 HA GLN 89 -13.903 -6.524 -10.420 587 HB2 GLN 89 HB2 GLN 89 -11.732 -7.784 -9.790 588 HB3 GLN 89 HB1 GLN 89 -12.779 -9.165 -9.497 589 HG2 GLN 89 HG2 GLN 89 -11.712 -9.131 -11.741 590 HG3 GLN 89 HG1 GLN 89 -13.471 -9.229 -11.771 591 HE21 GLN 89 HE21 GLN 89 -13.530 -8.437 -13.875 592 HE22 GLN 89 HE22 GLN 89 -13.253 -6.766 -14.234 593 H GLN 90 HN GLN 90 -15.545 -7.609 -11.491 594 HA GLN 90 HA GLN 90 -17.742 -8.445 -9.905 595 HB2 GLN 90 HB2 GLN 90 -17.238 -8.649 -12.877 596 HB3 GLN 90 HB1 GLN 90 -18.762 -9.075 -12.119 597 HG2 GLN 90 HG2 GLN 90 -19.062 -6.913 -12.961 598 HG3 GLN 90 HG1 GLN 90 -18.825 -6.709 -11.228 599 HE21 GLN 90 HE21 GLN 90 -18.183 -4.561 -11.508 600 HE22 GLN 90 HE22 GLN 90 -16.633 -4.149 -12.154 601 H THR 91 HN THR 91 -18.549 -10.473 -9.504 602 HA THR 91 HA THR 91 -16.660 -12.617 -9.537 603 HB THR 91 HB THR 91 -18.956 -13.819 -8.782 604 HG1 THR 91 HG1 THR 91 -20.452 -12.408 -8.235 605 HG21 THR 91 HG21 THR 91 -18.313 -13.302 -6.477 606 HG22 THR 91 HG22 THR 91 -17.291 -11.985 -7.050 607 HG23 THR 91 HG23 THR 91 -16.896 -13.652 -7.464 608 H GLY 92 HN GLY 92 -19.718 -11.922 -11.188 609 HA2 GLY 92 HA2 GLY 92 -19.467 -12.666 -13.650 610 HA3 GLY 92 HA1 GLY 92 -19.259 -14.252 -12.925 611 H1 ASP 195 HN ASP 195 -12.429 6.595 15.907 612 HA ASP 195 HA ASP 195 -14.539 5.710 14.154 613 HB2 ASP 195 HB2 ASP 195 -13.896 8.307 13.837 614 HB3 ASP 195 HB1 ASP 195 -12.669 7.570 12.809 615 H THR 196 HN THR 196 -12.887 5.558 11.797 616 HA THR 196 HA THR 196 -10.803 3.753 12.840 617 HB THR 196 HB THR 196 -11.068 2.672 10.497 618 HG1 THR 196 HG1 THR 196 -13.614 2.931 10.218 619 HG21 THR 196 HG21 THR 196 -12.838 1.168 11.352 620 HG22 THR 196 HG22 THR 196 -13.154 2.320 12.645 621 HG23 THR 196 HG23 THR 196 -11.600 1.501 12.571 622 H ALA 197 HN ALA 197 -8.835 4.313 12.423 623 HA ALA 197 HA ALA 197 -8.270 5.922 10.036 624 HB1 ALA 197 HB1 ALA 197 -6.558 7.125 11.296 625 HB2 ALA 197 HB2 ALA 197 -6.977 6.216 12.747 626 HB3 ALA 197 HB3 ALA 197 -8.145 7.332 12.044 627 H GLY 198 HN GLY 198 -6.789 5.010 8.745 628 HA2 GLY 198 HA2 GLY 198 -5.068 2.919 9.922 629 HA3 GLY 198 HA1 GLY 198 -5.763 2.807 8.305 630 H CYS 199 HN CYS 199 -2.919 3.207 9.684 631 HA CYS 199 HA CYS 199 -2.086 5.211 7.688 632 HB2 CYS 199 HB2 CYS 199 -0.665 4.562 10.277 633 HB3 CYS 199 HB1 CYS 199 -0.267 5.854 9.149 634 HG CYS 199 HG CYS 199 -2.013 7.616 9.966 635 H ILE 200 HN ILE 200 -0.931 4.421 6.106 636 HA ILE 200 HA ILE 200 0.656 1.991 6.568 637 HB ILE 200 HB ILE 200 -1.473 1.631 5.273 638 HG12 ILE 200 HG12 ILE 200 1.078 1.036 3.763 639 HG13 ILE 200 HG11 ILE 200 0.426 0.075 5.087 640 HG21 ILE 200 HG21 ILE 200 -0.067 3.193 3.136 641 HG22 ILE 200 HG22 ILE 200 -1.490 3.722 4.034 642 HG23 ILE 200 HG23 ILE 200 -1.585 2.319 2.964 643 HD11 ILE 200 HD11 ILE 200 -1.656 -0.183 3.658 644 HD12 ILE 200 HD12 ILE 200 -0.211 -1.060 3.159 645 HD13 ILE 200 HD13 ILE 200 -0.673 0.425 2.327 646 H VAL 201 HN VAL 201 2.791 2.202 6.022 647 HA VAL 201 HA VAL 201 3.491 4.465 4.279 648 HB VAL 201 HB VAL 201 4.201 5.070 6.476 649 HG11 VAL 201 HG11 VAL 201 4.171 2.900 7.550 650 HG12 VAL 201 HG12 VAL 201 5.738 3.669 7.798 651 HG13 VAL 201 HG13 VAL 201 5.567 2.385 6.603 652 HG21 VAL 201 HG21 VAL 201 6.662 5.194 6.205 653 HG22 VAL 201 HG22 VAL 201 5.776 5.664 4.752 654 HG23 VAL 201 HG23 VAL 201 6.535 4.076 4.848 655 H ILE 202 HN ILE 202 4.656 4.021 2.519 656 HA ILE 202 HA ILE 202 6.151 1.490 2.465 657 HB ILE 202 HB ILE 202 5.628 1.101 0.159 658 HG12 ILE 202 HG12 ILE 202 4.123 3.730 0.232 659 HG13 ILE 202 HG11 ILE 202 5.577 3.374 -0.697 660 HG21 ILE 202 HG21 ILE 202 4.017 0.196 1.657 661 HG22 ILE 202 HG22 ILE 202 3.150 0.833 0.261 662 HG23 ILE 202 HG23 ILE 202 3.169 1.740 1.774 663 HD11 ILE 202 HD11 ILE 202 4.443 2.268 -2.308 664 HD12 ILE 202 HD12 ILE 202 3.159 3.353 -1.767 665 HD13 ILE 202 HD13 ILE 202 3.203 1.686 -1.196 666 H SEP 203 HN SEP 203 8.248 1.705 1.992 667 HA SEP 203 HA SEP 203 9.098 4.215 0.710 668 HB2 SEP 203 HB1 SEP 203 11.126 4.166 2.041 669 HB3 SEP 203 HB2 SEP 203 10.671 2.611 2.737 670 H ASP 204 HN ASP 204 10.201 4.001 -1.153 671 HA ASP 204 HA ASP 204 11.439 1.374 -1.715 672 HB2 ASP 204 HB2 ASP 204 9.332 2.140 -3.079 673 HB3 ASP 204 HB1 ASP 204 10.482 3.183 -3.911 674 H SEP 205 HN SEP 205 13.576 1.454 -2.069 675 HA SEP 205 HA SEP 205 14.752 4.039 -2.821 676 HB2 SEP 205 HB1 SEP 205 15.864 3.942 -0.875 677 HB3 SEP 205 HB2 SEP 205 16.756 2.585 -1.552 678 H GLU 206 HN GLU 206 16.001 4.079 -4.568 679 HA GLU 206 HA GLU 206 16.217 1.721 -6.188 680 HB2 GLU 206 HB2 GLU 206 15.870 4.089 -7.047 681 HB3 GLU 206 HB1 GLU 206 17.559 4.389 -6.668 682 HG2 GLU 206 HG2 GLU 206 17.422 3.913 -8.981 683 HG3 GLU 206 HG1 GLU 206 18.148 2.507 -8.206 Start of MODEL 18 1 H1 ASP 16 HN ASP 16 9.892 13.981 -1.998 2 HA ASP 16 HA ASP 16 10.453 14.012 0.667 3 HB2 ASP 16 HB2 ASP 16 8.481 16.163 -0.064 4 HB3 ASP 16 HB1 ASP 16 8.392 15.365 1.499 5 H HIS 17 HN HIS 17 8.079 13.659 1.932 6 HA HIS 17 HA HIS 17 7.021 11.321 0.566 7 HB2 HIS 17 HB2 HIS 17 6.905 12.342 3.386 8 HB3 HIS 17 HB1 HIS 17 5.743 11.139 2.839 9 HD2 HIS 17 HD2 HIS 17 7.364 8.874 1.505 10 HE1 HIS 17 HE1 HIS 17 10.141 9.235 4.679 11 HE2 HIS 17 HE2 HIS 17 9.320 7.742 2.807 12 H ILE 18 HN ILE 18 4.970 11.114 -0.128 13 HA ILE 18 HA ILE 18 3.285 13.518 0.004 14 HB ILE 18 HB ILE 18 4.001 12.863 -2.272 15 HG12 ILE 18 HG12 ILE 18 1.047 12.392 -1.875 16 HG13 ILE 18 HG11 ILE 18 1.806 13.981 -1.843 17 HG21 ILE 18 HG21 ILE 18 3.135 10.835 -3.320 18 HG22 ILE 18 HG22 ILE 18 2.447 10.331 -1.775 19 HG23 ILE 18 HG23 ILE 18 4.196 10.460 -1.961 20 HD11 ILE 18 HD11 ILE 18 2.512 13.716 -4.146 21 HD12 ILE 18 HD12 ILE 18 0.770 13.475 -4.006 22 HD13 ILE 18 HD13 ILE 18 1.842 12.085 -4.179 23 H ASN 19 HN ASN 19 1.381 13.395 1.035 24 HA ASN 19 HA ASN 19 0.666 10.831 2.238 25 HB2 ASN 19 HB2 ASN 19 -0.474 13.588 2.739 26 HB3 ASN 19 HB1 ASN 19 -0.836 12.137 3.669 27 HD21 ASN 19 HD21 ASN 19 1.437 14.656 3.048 28 HD22 ASN 19 HD22 ASN 19 2.523 14.284 4.348 29 H LEU 20 HN LEU 20 -0.441 9.612 0.855 30 HA LEU 20 HA LEU 20 -2.567 10.812 -0.747 31 HB2 LEU 20 HB2 LEU 20 -1.532 7.977 -0.749 32 HB3 LEU 20 HB1 LEU 20 -2.635 8.682 -1.916 33 HG LEU 20 HG LEU 20 0.204 9.618 -1.509 34 HD11 LEU 20 HD11 LEU 20 0.695 8.440 -3.600 35 HD12 LEU 20 HD12 LEU 20 -0.936 7.770 -3.595 36 HD13 LEU 20 HD13 LEU 20 0.201 7.332 -2.320 37 HD21 LEU 20 HD21 LEU 20 -1.851 10.197 -3.635 38 HD22 LEU 20 HD22 LEU 20 -0.165 10.717 -3.685 39 HD23 LEU 20 HD23 LEU 20 -1.239 11.326 -2.427 40 H LYS 21 HN LYS 21 -4.715 9.855 -0.781 41 HA LYS 21 HA LYS 21 -5.406 8.639 1.813 42 HB2 LYS 21 HB2 LYS 21 -6.222 10.927 1.675 43 HB3 LYS 21 HB1 LYS 21 -7.012 10.580 0.143 44 HG2 LYS 21 HG2 LYS 21 -8.441 8.925 1.319 45 HG3 LYS 21 HG1 LYS 21 -7.712 9.452 2.838 46 HD2 LYS 21 HD2 LYS 21 -8.560 11.691 2.522 47 HD3 LYS 21 HD1 LYS 21 -9.182 11.262 0.925 48 HE2 LYS 21 HE2 LYS 21 -10.703 9.653 1.953 49 HE3 LYS 21 HE1 LYS 21 -10.075 10.069 3.546 50 HZ1 LYS 21 HZ1 LYS 21 -11.629 11.804 1.710 51 HZ2 LYS 21 HZ2 LYS 21 -10.837 12.387 3.087 52 HZ3 LYS 21 HZ3 LYS 21 -12.080 11.253 3.245 53 H VAL 22 HN VAL 22 -6.331 6.719 1.751 54 HA VAL 22 HA VAL 22 -7.226 5.619 -0.804 55 HB VAL 22 HB VAL 22 -6.991 4.302 1.909 56 HG11 VAL 22 HG11 VAL 22 -8.658 3.219 0.469 57 HG12 VAL 22 HG12 VAL 22 -7.249 2.192 0.736 58 HG13 VAL 22 HG13 VAL 22 -7.437 3.047 -0.796 59 HG21 VAL 22 HG21 VAL 22 -4.828 4.977 1.014 60 HG22 VAL 22 HG22 VAL 22 -5.176 4.129 -0.490 61 HG23 VAL 22 HG23 VAL 22 -4.995 3.223 1.013 62 H ALA 23 HN ALA 23 -9.321 5.336 -1.329 63 HA ALA 23 HA ALA 23 -11.318 6.058 0.699 64 HB1 ALA 23 HB1 ALA 23 -11.590 6.012 -2.302 65 HB2 ALA 23 HB2 ALA 23 -11.279 7.446 -1.325 66 HB3 ALA 23 HB3 ALA 23 -12.801 6.577 -1.151 67 H GLY 24 HN GLY 24 -11.916 4.232 1.714 68 HA2 GLY 24 HA2 GLY 24 -12.255 1.757 0.241 69 HA3 GLY 24 HA1 GLY 24 -12.481 1.988 1.972 70 H GLN 25 HN GLN 25 -14.179 0.713 -0.160 71 HA GLN 25 HA GLN 25 -16.461 2.380 -0.537 72 HB2 GLN 25 HB2 GLN 25 -16.219 -0.626 -0.738 73 HB3 GLN 25 HB1 GLN 25 -17.579 0.325 -1.319 74 HG2 GLN 25 HG2 GLN 25 -14.750 0.365 -2.344 75 HG3 GLN 25 HG1 GLN 25 -16.183 -0.239 -3.172 76 HE21 GLN 25 HE21 GLN 25 -14.220 1.851 -3.886 77 HE22 GLN 25 HE22 GLN 25 -15.149 3.285 -4.176 78 H ASP 26 HN ASP 26 -15.343 0.535 2.101 79 HA ASP 26 HA ASP 26 -18.000 0.261 3.275 80 HB2 ASP 26 HB2 ASP 26 -16.988 -1.093 4.959 81 HB3 ASP 26 HB1 ASP 26 -16.273 -1.579 3.426 82 H GLY 27 HN GLY 27 -15.829 2.678 3.002 83 HA2 GLY 27 HA2 GLY 27 -16.047 4.776 4.038 84 HA3 GLY 27 HA1 GLY 27 -16.893 4.009 5.371 85 H SER 28 HN SER 28 -13.792 2.970 4.077 86 HA SER 28 HA SER 28 -12.579 3.632 6.679 87 HB2 SER 28 HB2 SER 28 -10.808 1.940 5.851 88 HB3 SER 28 HB1 SER 28 -12.382 1.305 6.333 89 HG SER 28 HG SER 28 -12.810 0.760 4.321 90 H VAL 29 HN VAL 29 -10.742 4.878 6.761 91 HA VAL 29 HA VAL 29 -9.791 5.956 4.193 92 HB VAL 29 HB VAL 29 -10.934 7.722 5.329 93 HG11 VAL 29 HG11 VAL 29 -9.296 6.981 7.745 94 HG12 VAL 29 HG12 VAL 29 -11.051 6.904 7.563 95 HG13 VAL 29 HG13 VAL 29 -10.237 8.469 7.606 96 HG21 VAL 29 HG21 VAL 29 -8.864 8.363 4.238 97 HG22 VAL 29 HG22 VAL 29 -7.963 8.042 5.719 98 HG23 VAL 29 HG23 VAL 29 -9.140 9.356 5.669 99 H VAL 30 HN VAL 30 -7.733 5.599 3.733 100 HA VAL 30 HA VAL 30 -5.925 4.942 5.965 101 HB VAL 30 HB VAL 30 -5.763 3.768 3.186 102 HG11 VAL 30 HG11 VAL 30 -4.104 2.265 4.158 103 HG12 VAL 30 HG12 VAL 30 -4.253 3.097 5.706 104 HG13 VAL 30 HG13 VAL 30 -3.610 3.950 4.305 105 HG21 VAL 30 HG21 VAL 30 -6.446 1.645 4.281 106 HG22 VAL 30 HG22 VAL 30 -7.714 2.872 4.258 107 HG23 VAL 30 HG23 VAL 30 -6.812 2.566 5.740 108 H GLN 31 HN GLN 31 -4.263 6.213 6.179 109 HA GLN 31 HA GLN 31 -3.613 8.193 4.151 110 HB2 GLN 31 HB2 GLN 31 -3.792 8.733 6.604 111 HB3 GLN 31 HB1 GLN 31 -2.367 7.744 6.872 112 HG2 GLN 31 HG2 GLN 31 -1.327 9.344 5.061 113 HG3 GLN 31 HG1 GLN 31 -2.617 10.417 5.602 114 HE21 GLN 31 HE21 GLN 31 0.189 10.858 5.916 115 HE22 GLN 31 HE22 GLN 31 0.508 10.921 7.616 116 H PHE 32 HN PHE 32 -2.290 7.551 2.567 117 HA PHE 32 HA PHE 32 -0.229 5.553 3.166 118 HB2 PHE 32 HB2 PHE 32 -1.859 6.143 0.851 119 HB3 PHE 32 HB1 PHE 32 -0.150 6.141 0.429 120 HD1 PHE 32 HD1 PHE 32 -2.999 4.140 1.340 121 HD2 PHE 32 HD2 PHE 32 1.225 4.124 0.880 122 HE1 PHE 32 HE1 PHE 32 -3.025 1.686 1.299 123 HE2 PHE 32 HE2 PHE 32 1.210 1.662 0.831 124 HZ PHE 32 HZ PHE 32 -0.917 0.441 1.044 125 H LYS 33 HN LYS 33 1.649 6.303 3.738 126 HA LYS 33 HA LYS 33 2.544 8.893 2.688 127 HB2 LYS 33 HB2 LYS 33 2.474 8.595 5.155 128 HB3 LYS 33 HB1 LYS 33 3.633 7.282 5.008 129 HG2 LYS 33 HG2 LYS 33 5.365 8.712 4.421 130 HG3 LYS 33 HG1 LYS 33 4.261 10.011 3.962 131 HD2 LYS 33 HD2 LYS 33 3.659 10.369 6.272 132 HD3 LYS 33 HD1 LYS 33 4.650 8.998 6.774 133 HE2 LYS 33 HE2 LYS 33 6.646 10.111 6.226 134 HE3 LYS 33 HE1 LYS 33 5.795 11.342 5.299 135 HZ1 LYS 33 HZ1 LYS 33 5.578 10.997 8.238 136 HZ2 LYS 33 HZ2 LYS 33 4.873 12.225 7.313 137 HZ3 LYS 33 HZ3 LYS 33 6.555 12.144 7.469 138 H ILE 34 HN ILE 34 3.508 8.521 0.783 139 HA ILE 34 HA ILE 34 5.795 6.680 0.782 140 HB ILE 34 HB ILE 34 5.124 5.429 -0.987 141 HG12 ILE 34 HG12 ILE 34 3.590 7.809 -2.058 142 HG13 ILE 34 HG11 ILE 34 5.155 7.224 -2.617 143 HG21 ILE 34 HG21 ILE 34 3.285 5.255 0.659 144 HG22 ILE 34 HG22 ILE 34 2.766 4.917 -0.992 145 HG23 ILE 34 HG23 ILE 34 2.390 6.474 -0.249 146 HD11 ILE 34 HD11 ILE 34 3.349 6.601 -4.133 147 HD12 ILE 34 HD12 ILE 34 2.558 5.717 -2.827 148 HD13 ILE 34 HD13 ILE 34 4.128 5.186 -3.429 149 H LYS 35 HN LYS 35 7.226 7.150 -1.217 150 HA LYS 35 HA LYS 35 7.479 10.043 -1.403 151 HB2 LYS 35 HB2 LYS 35 9.270 7.728 -1.983 152 HB3 LYS 35 HB1 LYS 35 9.584 9.260 -2.788 153 HG2 LYS 35 HG2 LYS 35 10.190 10.314 -0.862 154 HG3 LYS 35 HG1 LYS 35 9.174 9.288 0.148 155 HD2 LYS 35 HD2 LYS 35 10.722 7.424 -0.187 156 HD3 LYS 35 HD1 LYS 35 11.743 8.455 -1.187 157 HE2 LYS 35 HE2 LYS 35 12.401 9.770 0.615 158 HE3 LYS 35 HE1 LYS 35 11.040 9.255 1.607 159 HZ1 LYS 35 HZ1 LYS 35 13.271 7.478 0.791 160 HZ2 LYS 35 HZ2 LYS 35 12.016 7.102 1.869 161 HZ3 LYS 35 HZ3 LYS 35 13.174 8.268 2.282 162 H ARG 36 HN ARG 36 7.866 11.082 -3.484 163 HA ARG 36 HA ARG 36 5.841 10.367 -5.344 164 HB2 ARG 36 HB2 ARG 36 8.038 12.425 -5.486 165 HB3 ARG 36 HB1 ARG 36 6.781 12.251 -6.704 166 HG2 ARG 36 HG2 ARG 36 5.076 12.731 -5.033 167 HG3 ARG 36 HG1 ARG 36 6.322 12.866 -3.791 168 HD2 ARG 36 HD2 ARG 36 5.809 15.077 -4.421 169 HD3 ARG 36 HD1 ARG 36 7.340 14.702 -5.205 170 HE ARG 36 HE ARG 36 6.242 14.641 -7.283 171 HH11 ARG 36 HH11 ARG 36 4.071 15.472 -4.659 172 HH12 ARG 36 HH12 ARG 36 2.836 16.102 -5.712 173 HH21 ARG 36 HH21 ARG 36 4.613 15.464 -8.667 174 HH22 ARG 36 HH22 ARG 36 3.149 16.084 -7.974 175 H HIS 37 HN HIS 37 9.179 9.546 -5.080 176 HA HIS 37 HA HIS 37 9.347 8.693 -7.861 177 HB2 HIS 37 HB2 HIS 37 11.637 8.442 -7.555 178 HB3 HIS 37 HB1 HIS 37 11.272 9.744 -6.437 179 HD2 HIS 37 HD2 HIS 37 11.572 9.118 -3.720 180 HE1 HIS 37 HE1 HIS 37 13.333 5.335 -4.435 181 HE2 HIS 37 HE2 HIS 37 12.841 7.096 -2.684 182 H THR 38 HN THR 38 8.155 7.492 -5.031 183 HA THR 38 HA THR 38 8.955 4.749 -5.291 184 HB THR 38 HB THR 38 6.854 6.054 -3.555 185 HG1 THR 38 HG1 THR 38 9.602 5.677 -3.352 186 HG21 THR 38 HG21 THR 38 8.060 3.293 -3.377 187 HG22 THR 38 HG22 THR 38 6.408 3.665 -3.868 188 HG23 THR 38 HG23 THR 38 6.939 4.012 -2.223 189 HA PRO 39 HA PRO 39 5.897 3.705 -8.392 190 HB2 PRO 39 HB2 PRO 39 6.426 0.958 -7.397 191 HB3 PRO 39 HB1 PRO 39 6.549 1.607 -9.038 192 HG2 PRO 39 HG2 PRO 39 8.734 1.048 -7.628 193 HG3 PRO 39 HG1 PRO 39 8.662 2.454 -8.707 194 HD2 PRO 39 HD2 PRO 39 8.464 2.352 -5.735 195 HD3 PRO 39 HD1 PRO 39 9.257 3.550 -6.778 196 H LEU 40 HN LEU 40 3.747 3.247 -8.367 197 HA LEU 40 HA LEU 40 2.431 3.143 -5.824 198 HB2 LEU 40 HB2 LEU 40 1.303 3.000 -8.616 199 HB3 LEU 40 HB1 LEU 40 0.363 3.229 -7.154 200 HG LEU 40 HG LEU 40 2.510 5.162 -8.004 201 HD11 LEU 40 HD11 LEU 40 0.997 5.182 -9.816 202 HD12 LEU 40 HD12 LEU 40 0.577 6.564 -8.805 203 HD13 LEU 40 HD13 LEU 40 -0.399 5.096 -8.745 204 HD21 LEU 40 HD21 LEU 40 0.184 5.339 -6.103 205 HD22 LEU 40 HD22 LEU 40 1.210 6.695 -6.559 206 HD23 LEU 40 HD23 LEU 40 1.895 5.324 -5.686 207 H SER 41 HN SER 41 3.726 0.761 -7.759 208 HA SER 41 HA SER 41 1.808 -1.272 -7.698 209 HB2 SER 41 HB2 SER 41 4.017 -2.729 -7.700 210 HB3 SER 41 HB1 SER 41 3.571 -1.760 -9.107 211 HG SER 41 HG SER 41 5.458 -0.882 -8.834 212 H LYS 42 HN LYS 42 4.412 -0.481 -5.399 213 HA LYS 42 HA LYS 42 3.838 -2.612 -3.631 214 HB2 LYS 42 HB2 LYS 42 4.942 -0.490 -2.112 215 HB3 LYS 42 HB1 LYS 42 5.742 -1.933 -2.697 216 HG2 LYS 42 HG2 LYS 42 6.530 -0.846 -4.632 217 HG3 LYS 42 HG1 LYS 42 5.453 0.529 -4.385 218 HD2 LYS 42 HD2 LYS 42 7.742 1.099 -3.775 219 HD3 LYS 42 HD1 LYS 42 6.686 1.150 -2.361 220 HE2 LYS 42 HE2 LYS 42 8.660 0.076 -1.647 221 HE3 LYS 42 HE1 LYS 42 7.479 -1.215 -1.872 222 HZ1 LYS 42 HZ1 LYS 42 9.571 -0.455 -3.847 223 HZ2 LYS 42 HZ2 LYS 42 8.488 -1.750 -3.978 224 HZ3 LYS 42 HZ3 LYS 42 9.676 -1.761 -2.775 225 H LEU 43 HN LEU 43 2.491 0.552 -4.050 226 HA LEU 43 HA LEU 43 1.202 0.782 -1.528 227 HB2 LEU 43 HB2 LEU 43 1.653 2.668 -3.107 228 HB3 LEU 43 HB1 LEU 43 0.417 2.029 -4.168 229 HG LEU 43 HG LEU 43 -0.350 2.685 -1.360 230 HD11 LEU 43 HD11 LEU 43 0.807 4.664 -1.811 231 HD12 LEU 43 HD12 LEU 43 -0.861 5.025 -2.247 232 HD13 LEU 43 HD13 LEU 43 0.322 4.673 -3.505 233 HD21 LEU 43 HD21 LEU 43 -1.760 3.092 -3.993 234 HD22 LEU 43 HD22 LEU 43 -2.459 3.226 -2.377 235 HD23 LEU 43 HD23 LEU 43 -1.929 1.656 -2.981 236 H MET 44 HN MET 44 0.015 -0.166 -4.739 237 HA MET 44 HA MET 44 -2.608 -0.781 -4.009 238 HB2 MET 44 HB2 MET 44 -0.826 -1.796 -6.217 239 HB3 MET 44 HB1 MET 44 -2.481 -2.360 -6.041 240 HG2 MET 44 HG2 MET 44 -3.261 -0.026 -6.223 241 HG3 MET 44 HG1 MET 44 -1.595 0.476 -6.506 242 HE1 MET 44 HE1 MET 44 -0.752 -1.008 -9.963 243 HE2 MET 44 HE2 MET 44 -0.320 -1.609 -8.362 244 HE3 MET 44 HE3 MET 44 -0.278 0.123 -8.694 245 H LYS 45 HN LYS 45 0.274 -2.823 -4.062 246 HA LYS 45 HA LYS 45 -1.136 -5.177 -3.286 247 HB2 LYS 45 HB2 LYS 45 1.783 -4.482 -3.488 248 HB3 LYS 45 HB1 LYS 45 1.248 -6.034 -2.848 249 HG2 LYS 45 HG2 LYS 45 0.058 -6.476 -4.944 250 HG3 LYS 45 HG1 LYS 45 0.623 -4.932 -5.584 251 HD2 LYS 45 HD2 LYS 45 2.573 -6.970 -4.576 252 HD3 LYS 45 HD1 LYS 45 1.885 -7.113 -6.195 253 HE2 LYS 45 HE2 LYS 45 2.617 -4.556 -6.302 254 HE3 LYS 45 HE1 LYS 45 3.782 -5.110 -5.103 255 HZ1 LYS 45 HZ1 LYS 45 3.394 -6.344 -7.774 256 HZ2 LYS 45 HZ2 LYS 45 4.571 -6.766 -6.636 257 HZ3 LYS 45 HZ3 LYS 45 4.626 -5.253 -7.389 258 H ALA 46 HN ALA 46 0.740 -2.741 -1.512 259 HA ALA 46 HA ALA 46 0.938 -4.062 0.938 260 HB1 ALA 46 HB1 ALA 46 2.150 -2.007 0.493 261 HB2 ALA 46 HB2 ALA 46 1.188 -1.850 1.962 262 HB3 ALA 46 HB3 ALA 46 0.638 -1.100 0.463 263 H TYR 47 HN TYR 47 -1.599 -1.811 -0.152 264 HA TYR 47 HA TYR 47 -3.164 -2.034 2.183 265 HB2 TYR 47 HB2 TYR 47 -3.579 -0.170 0.779 266 HB3 TYR 47 HB1 TYR 47 -3.811 -1.186 -0.638 267 HD1 TYR 47 HD1 TYR 47 -5.958 -1.742 -1.309 268 HD2 TYR 47 HD2 TYR 47 -5.324 -0.470 2.703 269 HE1 TYR 47 HE1 TYR 47 -8.387 -1.743 -0.933 270 HE2 TYR 47 HE2 TYR 47 -7.754 -0.465 3.092 271 HH TYR 47 HH TYR 47 -9.993 -1.775 0.742 272 H CYS 48 HN CYS 48 -3.089 -3.887 -0.804 273 HA CYS 48 HA CYS 48 -5.445 -5.378 -0.305 274 HB2 CYS 48 HB2 CYS 48 -4.255 -5.088 -2.527 275 HB3 CYS 48 HB1 CYS 48 -3.094 -6.286 -1.958 276 HG CYS 48 HG CYS 48 -6.443 -6.940 -2.144 277 H GLU 49 HN GLU 49 -2.011 -5.968 0.350 278 HA GLU 49 HA GLU 49 -2.297 -8.574 1.395 279 HB2 GLU 49 HB2 GLU 49 -0.230 -6.425 1.867 280 HB3 GLU 49 HB1 GLU 49 -0.110 -8.029 2.576 281 HG2 GLU 49 HG2 GLU 49 -0.462 -7.744 -0.367 282 HG3 GLU 49 HG1 GLU 49 1.120 -7.463 0.356 283 H ARG 50 HN ARG 50 -2.733 -5.397 2.752 284 HA ARG 50 HA ARG 50 -2.820 -6.172 5.489 285 HB2 ARG 50 HB2 ARG 50 -3.665 -3.754 3.947 286 HB3 ARG 50 HB1 ARG 50 -4.212 -3.949 5.606 287 HG2 ARG 50 HG2 ARG 50 -1.415 -4.458 5.504 288 HG3 ARG 50 HG1 ARG 50 -1.749 -2.933 4.683 289 HD2 ARG 50 HD2 ARG 50 -3.086 -2.239 6.669 290 HD3 ARG 50 HD1 ARG 50 -2.554 -3.709 7.483 291 HE ARG 50 HE ARG 50 -0.259 -2.425 6.649 292 HH11 ARG 50 HH11 ARG 50 -2.035 -0.721 9.822 293 HH12 ARG 50 HH12 ARG 50 -2.954 -1.754 8.772 294 HH21 ARG 50 HH21 ARG 50 0.948 -1.045 8.007 295 HH22 ARG 50 HH22 ARG 50 0.186 -0.314 9.386 296 H GLN 51 HN GLN 51 -5.179 -6.009 2.911 297 HA GLN 51 HA GLN 51 -7.438 -6.418 4.641 298 HB2 GLN 51 HB2 GLN 51 -7.191 -6.663 1.636 299 HB3 GLN 51 HB1 GLN 51 -8.702 -6.750 2.529 300 HG2 GLN 51 HG2 GLN 51 -6.868 -4.381 2.291 301 HG3 GLN 51 HG1 GLN 51 -8.473 -4.567 1.588 302 HE21 GLN 51 HE21 GLN 51 -10.279 -4.386 2.909 303 HE22 GLN 51 HE22 GLN 51 -10.203 -3.692 4.488 304 H GLY 52 HN GLY 52 -5.246 -8.391 2.795 305 HA2 GLY 52 HA2 GLY 52 -4.794 -10.662 3.234 306 HA3 GLY 52 HA1 GLY 52 -6.329 -10.778 4.082 307 H LEU 53 HN LEU 53 -5.603 -9.607 0.819 308 HA LEU 53 HA LEU 53 -7.005 -11.893 -0.336 309 HB2 LEU 53 HB2 LEU 53 -7.797 -9.012 -0.723 310 HB3 LEU 53 HB1 LEU 53 -8.303 -10.296 -1.804 311 HG LEU 53 HG LEU 53 -8.928 -10.324 1.142 312 HD11 LEU 53 HD11 LEU 53 -9.872 -8.303 0.119 313 HD12 LEU 53 HD12 LEU 53 -11.127 -9.455 0.579 314 HD13 LEU 53 HD13 LEU 53 -10.651 -9.296 -1.113 315 HD21 LEU 53 HD21 LEU 53 -9.081 -12.475 0.037 316 HD22 LEU 53 HD22 LEU 53 -10.083 -11.776 -1.234 317 HD23 LEU 53 HD23 LEU 53 -10.697 -11.874 0.414 318 H SER 54 HN SER 54 -7.094 -11.226 -2.930 319 HA SER 54 HA SER 54 -4.270 -10.829 -3.605 320 HB2 SER 54 HB2 SER 54 -5.121 -12.898 -4.458 321 HB3 SER 54 HB1 SER 54 -6.553 -12.110 -5.113 322 HG SER 54 HG SER 54 -4.213 -12.522 -6.301 323 H MET 55 HN MET 55 -3.612 -9.313 -5.118 324 HA MET 55 HA MET 55 -5.130 -6.934 -5.289 325 HB2 MET 55 HB2 MET 55 -2.609 -7.154 -5.377 326 HB3 MET 55 HB1 MET 55 -2.791 -7.677 -7.043 327 HG2 MET 55 HG2 MET 55 -4.027 -5.501 -7.439 328 HG3 MET 55 HG1 MET 55 -3.431 -5.001 -5.857 329 HE1 MET 55 HE1 MET 55 -1.514 -7.206 -8.616 330 HE2 MET 55 HE2 MET 55 -0.853 -5.877 -9.569 331 HE3 MET 55 HE3 MET 55 -2.599 -6.087 -9.439 332 H ARG 56 HN ARG 56 -5.046 -9.774 -7.209 333 HA ARG 56 HA ARG 56 -6.059 -8.581 -9.626 334 HB2 ARG 56 HB2 ARG 56 -4.695 -10.688 -9.538 335 HB3 ARG 56 HB1 ARG 56 -6.073 -11.492 -8.801 336 HG2 ARG 56 HG2 ARG 56 -7.394 -11.115 -10.793 337 HG3 ARG 56 HG1 ARG 56 -6.065 -10.221 -11.533 338 HD2 ARG 56 HD2 ARG 56 -4.699 -12.180 -11.589 339 HD3 ARG 56 HD1 ARG 56 -5.871 -13.089 -10.638 340 HE ARG 56 HE ARG 56 -7.394 -12.763 -12.624 341 HH11 ARG 56 HH11 ARG 56 -3.905 -12.846 -12.961 342 HH12 ARG 56 HH12 ARG 56 -3.955 -13.421 -14.598 343 HH21 ARG 56 HH21 ARG 56 -7.450 -13.524 -14.782 344 HH22 ARG 56 HH22 ARG 56 -5.962 -13.805 -15.629 345 H GLN 57 HN GLN 57 -7.383 -9.395 -6.651 346 HA GLN 57 HA GLN 57 -10.037 -10.064 -7.619 347 HB2 GLN 57 HB2 GLN 57 -8.660 -10.768 -5.390 348 HB3 GLN 57 HB1 GLN 57 -9.633 -9.447 -4.762 349 HG2 GLN 57 HG2 GLN 57 -11.657 -10.552 -5.381 350 HG3 GLN 57 HG1 GLN 57 -10.764 -11.805 -6.243 351 HE21 GLN 57 HE21 GLN 57 -12.655 -12.136 -4.092 352 HE22 GLN 57 HE22 GLN 57 -11.803 -12.909 -2.799 353 H ILE 58 HN ILE 58 -8.325 -7.230 -7.108 354 HA ILE 58 HA ILE 58 -10.834 -5.710 -6.904 355 HB ILE 58 HB ILE 58 -9.497 -3.973 -5.582 356 HG12 ILE 58 HG12 ILE 58 -7.789 -6.413 -5.039 357 HG13 ILE 58 HG11 ILE 58 -7.276 -4.970 -5.905 358 HG21 ILE 58 HG21 ILE 58 -10.371 -6.588 -4.382 359 HG22 ILE 58 HG22 ILE 58 -11.303 -5.100 -4.546 360 HG23 ILE 58 HG23 ILE 58 -9.948 -5.171 -3.423 361 HD11 ILE 58 HD11 ILE 58 -8.160 -4.998 -3.030 362 HD12 ILE 58 HD12 ILE 58 -7.457 -3.644 -3.918 363 HD13 ILE 58 HD13 ILE 58 -6.482 -5.074 -3.569 364 H ARG 59 HN ARG 59 -10.414 -3.339 -7.437 365 HA ARG 59 HA ARG 59 -8.322 -3.024 -9.476 366 HB2 ARG 59 HB2 ARG 59 -11.263 -2.390 -9.840 367 HB3 ARG 59 HB1 ARG 59 -9.993 -1.826 -10.920 368 HG2 ARG 59 HG2 ARG 59 -10.704 -4.705 -10.389 369 HG3 ARG 59 HG1 ARG 59 -11.150 -3.773 -11.819 370 HD2 ARG 59 HD2 ARG 59 -8.733 -3.448 -12.299 371 HD3 ARG 59 HD1 ARG 59 -8.353 -4.499 -10.934 372 HE ARG 59 HE ARG 59 -9.411 -5.286 -13.522 373 HH11 ARG 59 HH11 ARG 59 -8.692 -6.224 -10.225 374 HH12 ARG 59 HH12 ARG 59 -8.721 -7.927 -10.570 375 HH21 ARG 59 HH21 ARG 59 -9.443 -7.509 -13.990 376 HH22 ARG 59 HH22 ARG 59 -9.139 -8.662 -12.728 377 H PHE 60 HN PHE 60 -7.343 -1.074 -9.396 378 HA PHE 60 HA PHE 60 -8.417 0.845 -7.454 379 HB2 PHE 60 HB2 PHE 60 -5.610 0.489 -8.521 380 HB3 PHE 60 HB1 PHE 60 -6.104 1.772 -7.424 381 HD1 PHE 60 HD1 PHE 60 -5.729 -1.891 -7.743 382 HD2 PHE 60 HD2 PHE 60 -6.266 1.406 -5.108 383 HE1 PHE 60 HE1 PHE 60 -5.286 -3.361 -5.824 384 HE2 PHE 60 HE2 PHE 60 -5.819 -0.058 -3.182 385 HZ PHE 60 HZ PHE 60 -5.332 -2.445 -3.540 386 H ARG 61 HN ARG 61 -8.980 2.859 -8.056 387 HA ARG 61 HA ARG 61 -8.441 3.638 -10.845 388 HB2 ARG 61 HB2 ARG 61 -10.881 2.877 -10.046 389 HB3 ARG 61 HB1 ARG 61 -10.951 4.557 -9.535 390 HG2 ARG 61 HG2 ARG 61 -10.419 5.265 -11.820 391 HG3 ARG 61 HG1 ARG 61 -10.396 3.575 -12.325 392 HD2 ARG 61 HD2 ARG 61 -12.822 4.032 -10.932 393 HD3 ARG 61 HD1 ARG 61 -12.618 5.340 -12.096 394 HE ARG 61 HE ARG 61 -12.060 2.961 -13.426 395 HH11 ARG 61 HH11 ARG 61 -15.971 3.713 -12.872 396 HH12 ARG 61 HH12 ARG 61 -14.794 4.493 -11.866 397 HH21 ARG 61 HH21 ARG 61 -13.611 1.911 -14.736 398 HH22 ARG 61 HH22 ARG 61 -15.299 2.250 -14.508 399 H PHE 62 HN PHE 62 -7.963 5.765 -11.223 400 HA PHE 62 HA PHE 62 -7.958 7.604 -8.937 401 HB2 PHE 62 HB2 PHE 62 -5.705 6.748 -8.999 402 HB3 PHE 62 HB1 PHE 62 -5.611 6.984 -10.740 403 HD1 PHE 62 HD1 PHE 62 -5.948 8.820 -7.534 404 HD2 PHE 62 HD2 PHE 62 -4.788 8.972 -11.628 405 HE1 PHE 62 HE1 PHE 62 -5.011 11.067 -7.183 406 HE2 PHE 62 HE2 PHE 62 -3.847 11.218 -11.283 407 HZ PHE 62 HZ PHE 62 -3.962 12.268 -9.059 408 H ASP 63 HN ASP 63 -9.004 9.384 -9.472 409 HA ASP 63 HA ASP 63 -9.837 11.159 -10.620 410 HB2 ASP 63 HB2 ASP 63 -7.421 11.489 -11.216 411 HB3 ASP 63 HB1 ASP 63 -7.705 10.579 -12.692 412 H GLY 64 HN GLY 64 -10.456 8.212 -11.292 413 HA2 GLY 64 HA2 GLY 64 -12.414 7.509 -12.421 414 HA3 GLY 64 HA1 GLY 64 -12.222 8.853 -13.538 415 H GLN 65 HN GLN 65 -9.224 7.585 -13.200 416 HA GLN 65 HA GLN 65 -9.590 5.802 -15.520 417 HB2 GLN 65 HB2 GLN 65 -7.168 7.466 -14.801 418 HB3 GLN 65 HB1 GLN 65 -7.320 6.426 -16.211 419 HG2 GLN 65 HG2 GLN 65 -8.969 8.883 -15.644 420 HG3 GLN 65 HG1 GLN 65 -7.637 8.767 -16.793 421 HE21 GLN 65 HE21 GLN 65 -10.441 9.459 -17.235 422 HE22 GLN 65 HE22 GLN 65 -11.026 8.335 -18.411 423 HA PRO 66 HA PRO 66 -7.858 2.524 -13.103 424 HB2 PRO 66 HB2 PRO 66 -6.739 1.001 -15.052 425 HB3 PRO 66 HB1 PRO 66 -8.487 1.093 -14.789 426 HG2 PRO 66 HG2 PRO 66 -6.818 2.515 -16.815 427 HG3 PRO 66 HG1 PRO 66 -8.405 1.748 -17.006 428 HD2 PRO 66 HD2 PRO 66 -8.116 4.418 -16.730 429 HD3 PRO 66 HD1 PRO 66 -9.532 3.539 -16.117 430 H ILE 67 HN ILE 67 -5.894 1.721 -12.289 431 HA ILE 67 HA ILE 67 -3.558 3.361 -12.993 432 HB ILE 67 HB ILE 67 -3.967 1.706 -10.497 433 HG12 ILE 67 HG12 ILE 67 -4.328 4.692 -10.824 434 HG13 ILE 67 HG11 ILE 67 -5.660 3.542 -10.792 435 HG21 ILE 67 HG21 ILE 67 -2.156 3.103 -9.595 436 HG22 ILE 67 HG22 ILE 67 -1.989 3.884 -11.169 437 HG23 ILE 67 HG23 ILE 67 -1.636 2.163 -10.994 438 HD11 ILE 67 HD11 ILE 67 -3.723 4.120 -8.574 439 HD12 ILE 67 HD12 ILE 67 -4.953 2.858 -8.531 440 HD13 ILE 67 HD13 ILE 67 -5.431 4.551 -8.637 441 H ASN 68 HN ASN 68 -1.699 2.466 -13.700 442 HA ASN 68 HA ASN 68 -1.739 -0.397 -14.303 443 HB2 ASN 68 HB2 ASN 68 0.041 1.849 -15.279 444 HB3 ASN 68 HB1 ASN 68 0.257 0.162 -15.732 445 HD21 ASN 68 HD21 ASN 68 -0.465 2.680 -17.219 446 HD22 ASN 68 HD22 ASN 68 -1.878 2.256 -18.121 447 H GLU 69 HN GLU 69 0.242 -1.655 -13.940 448 HA GLU 69 HA GLU 69 1.265 -1.148 -11.288 449 HB2 GLU 69 HB2 GLU 69 1.767 -3.413 -13.223 450 HB3 GLU 69 HB1 GLU 69 2.355 -3.362 -11.564 451 HG2 GLU 69 HG2 GLU 69 -0.002 -3.223 -10.797 452 HG3 GLU 69 HG1 GLU 69 -0.513 -3.446 -12.473 453 H THR 70 HN THR 70 2.087 0.571 -13.565 454 HA THR 70 HA THR 70 4.966 0.436 -13.071 455 HB THR 70 HB THR 70 4.671 1.328 -15.735 456 HG1 THR 70 HG1 THR 70 3.238 0.030 -16.607 457 HG21 THR 70 HG21 THR 70 5.733 -1.267 -14.608 458 HG22 THR 70 HG22 THR 70 6.645 0.224 -14.848 459 HG23 THR 70 HG23 THR 70 6.037 -0.671 -16.241 460 H ASP 71 HN ASP 71 2.520 2.112 -12.344 461 HA ASP 71 HA ASP 71 3.355 4.710 -13.429 462 HB2 ASP 71 HB2 ASP 71 0.857 3.831 -11.982 463 HB3 ASP 71 HB1 ASP 71 1.223 5.520 -12.307 464 H THR 72 HN THR 72 3.558 6.521 -12.028 465 HA THR 72 HA THR 72 4.195 5.894 -9.229 466 HB THR 72 HB THR 72 5.952 7.857 -9.617 467 HG1 THR 72 HG1 THR 72 6.140 6.544 -12.120 468 HG21 THR 72 HG21 THR 72 6.395 4.964 -10.358 469 HG22 THR 72 HG22 THR 72 6.589 5.699 -8.769 470 HG23 THR 72 HG23 THR 72 7.690 6.129 -10.075 471 HA PRO 73 HA PRO 73 1.655 9.325 -8.057 472 HB2 PRO 73 HB2 PRO 73 3.970 10.529 -6.630 473 HB3 PRO 73 HB1 PRO 73 2.366 10.103 -6.014 474 HG2 PRO 73 HG2 PRO 73 4.474 8.612 -5.403 475 HG3 PRO 73 HG1 PRO 73 2.894 7.880 -5.733 476 HD2 PRO 73 HD2 PRO 73 5.316 7.996 -7.465 477 HD3 PRO 73 HD1 PRO 73 4.117 6.698 -7.276 478 H ALA 74 HN ALA 74 4.976 10.324 -8.851 479 HA ALA 74 HA ALA 74 4.275 12.950 -9.650 480 HB1 ALA 74 HB1 ALA 74 6.540 13.070 -10.563 481 HB2 ALA 74 HB2 ALA 74 6.719 11.329 -10.350 482 HB3 ALA 74 HB3 ALA 74 6.534 12.376 -8.943 483 H GLN 75 HN GLN 75 4.471 9.893 -11.346 484 HA GLN 75 HA GLN 75 4.446 10.946 -13.980 485 HB2 GLN 75 HB2 GLN 75 5.025 8.551 -13.110 486 HB3 GLN 75 HB1 GLN 75 3.302 8.260 -13.308 487 HG2 GLN 75 HG2 GLN 75 4.643 7.548 -15.245 488 HG3 GLN 75 HG1 GLN 75 3.431 8.758 -15.653 489 HE21 GLN 75 HE21 GLN 75 4.629 9.257 -17.529 490 HE22 GLN 75 HE22 GLN 75 6.057 10.230 -17.448 491 H LEU 76 HN LEU 76 1.909 10.120 -11.700 492 HA LEU 76 HA LEU 76 -0.130 10.620 -13.732 493 HB2 LEU 76 HB2 LEU 76 -0.259 9.567 -10.920 494 HB3 LEU 76 HB1 LEU 76 -1.699 9.996 -11.824 495 HG LEU 76 HG LEU 76 0.314 7.916 -12.697 496 HD11 LEU 76 HD11 LEU 76 -0.859 7.244 -10.659 497 HD12 LEU 76 HD12 LEU 76 -1.348 6.272 -12.043 498 HD13 LEU 76 HD13 LEU 76 -2.405 7.552 -11.446 499 HD21 LEU 76 HD21 LEU 76 -2.405 8.678 -13.758 500 HD22 LEU 76 HD22 LEU 76 -1.478 7.269 -14.273 501 HD23 LEU 76 HD23 LEU 76 -0.855 8.892 -14.572 502 H GLU 77 HN GLU 77 1.692 12.540 -11.952 503 HA GLU 77 HA GLU 77 1.564 14.678 -11.192 504 HB2 GLU 77 HB2 GLU 77 -1.070 14.657 -12.675 505 HB3 GLU 77 HB1 GLU 77 -0.274 16.095 -12.056 506 HG2 GLU 77 HG2 GLU 77 1.127 14.276 -13.969 507 HG3 GLU 77 HG1 GLU 77 -0.008 15.496 -14.539 508 H MET 78 HN MET 78 0.709 12.600 -9.498 509 HA MET 78 HA MET 78 -1.696 13.377 -8.132 510 HB2 MET 78 HB2 MET 78 0.498 11.451 -7.340 511 HB3 MET 78 HB1 MET 78 -1.038 11.632 -6.501 512 HG2 MET 78 HG2 MET 78 -2.247 10.784 -8.352 513 HG3 MET 78 HG1 MET 78 -0.832 10.867 -9.397 514 HE1 MET 78 HE1 MET 78 -2.536 9.012 -6.374 515 HE2 MET 78 HE2 MET 78 -1.033 9.630 -5.688 516 HE3 MET 78 HE3 MET 78 -1.258 7.893 -5.898 517 H GLU 79 HN GLU 79 -1.883 14.426 -6.194 518 HA GLU 79 HA GLU 79 0.578 15.689 -5.173 519 HB2 GLU 79 HB2 GLU 79 -2.167 16.914 -5.475 520 HB3 GLU 79 HB1 GLU 79 -0.839 17.667 -4.603 521 HG2 GLU 79 HG2 GLU 79 -0.564 16.860 -7.469 522 HG3 GLU 79 HG1 GLU 79 -1.277 18.403 -7.006 523 H ASP 80 HN ASP 80 0.063 16.700 -2.929 524 HA ASP 80 HA ASP 80 -0.440 14.597 -1.143 525 HB2 ASP 80 HB2 ASP 80 0.891 16.773 -0.773 526 HB3 ASP 80 HB1 ASP 80 -0.662 17.508 -0.397 527 H GLU 81 HN GLU 81 -2.188 13.953 -0.041 528 HA GLU 81 HA GLU 81 -4.304 13.770 0.728 529 HB2 GLU 81 HB2 GLU 81 -4.497 16.622 -0.205 530 HB3 GLU 81 HB1 GLU 81 -5.890 15.760 0.433 531 HG2 GLU 81 HG2 GLU 81 -3.320 15.974 1.958 532 HG3 GLU 81 HG1 GLU 81 -4.567 17.217 2.039 533 H ASP 82 HN ASP 82 -3.374 13.423 -2.213 534 HA ASP 82 HA ASP 82 -5.733 13.633 -3.788 535 HB2 ASP 82 HB2 ASP 82 -3.063 12.949 -4.280 536 HB3 ASP 82 HB1 ASP 82 -3.969 11.485 -4.650 537 H THR 83 HN THR 83 -7.315 12.110 -4.230 538 HA THR 83 HA THR 83 -7.415 9.907 -2.290 539 HB THR 83 HB THR 83 -9.786 10.866 -3.851 540 HG1 THR 83 HG1 THR 83 -8.629 12.640 -2.714 541 HG21 THR 83 HG21 THR 83 -9.860 8.775 -2.484 542 HG22 THR 83 HG22 THR 83 -11.024 10.000 -1.983 543 HG23 THR 83 HG23 THR 83 -9.543 9.754 -1.054 544 H ILE 84 HN ILE 84 -7.378 7.870 -2.901 545 HA ILE 84 HA ILE 84 -7.706 7.221 -5.761 546 HB ILE 84 HB ILE 84 -6.185 5.670 -3.651 547 HG12 ILE 84 HG12 ILE 84 -5.085 7.222 -6.001 548 HG13 ILE 84 HG11 ILE 84 -5.140 7.848 -4.357 549 HG21 ILE 84 HG21 ILE 84 -7.126 4.217 -5.353 550 HG22 ILE 84 HG22 ILE 84 -5.375 4.326 -5.543 551 HG23 ILE 84 HG23 ILE 84 -6.436 5.227 -6.624 552 HD11 ILE 84 HD11 ILE 84 -3.621 6.185 -3.595 553 HD12 ILE 84 HD12 ILE 84 -2.942 6.911 -5.051 554 HD13 ILE 84 HD13 ILE 84 -3.706 5.325 -5.131 555 H ASP 85 HN ASP 85 -9.387 5.941 -6.295 556 HA ASP 85 HA ASP 85 -11.056 4.913 -4.124 557 HB2 ASP 85 HB2 ASP 85 -11.554 5.327 -7.069 558 HB3 ASP 85 HB1 ASP 85 -12.689 4.478 -6.024 559 H VAL 86 HN VAL 86 -11.397 2.801 -3.735 560 HA VAL 86 HA VAL 86 -10.042 0.862 -5.497 561 HB VAL 86 HB VAL 86 -10.783 0.394 -2.610 562 HG11 VAL 86 HG11 VAL 86 -10.419 -1.602 -3.961 563 HG12 VAL 86 HG12 VAL 86 -9.131 -1.405 -2.773 564 HG13 VAL 86 HG13 VAL 86 -8.841 -0.990 -4.461 565 HG21 VAL 86 HG21 VAL 86 -8.083 1.255 -3.647 566 HG22 VAL 86 HG22 VAL 86 -8.517 0.916 -1.973 567 HG23 VAL 86 HG23 VAL 86 -9.214 2.309 -2.799 568 H PHE 87 HN PHE 87 -11.266 -0.626 -6.491 569 HA PHE 87 HA PHE 87 -14.031 -0.996 -5.528 570 HB2 PHE 87 HB2 PHE 87 -13.070 -0.953 -8.401 571 HB3 PHE 87 HB1 PHE 87 -14.709 -1.322 -7.880 572 HD1 PHE 87 HD1 PHE 87 -16.013 0.477 -6.669 573 HD2 PHE 87 HD2 PHE 87 -12.388 1.235 -8.763 574 HE1 PHE 87 HE1 PHE 87 -16.577 2.871 -6.775 575 HE2 PHE 87 HE2 PHE 87 -12.944 3.629 -8.871 576 HZ PHE 87 HZ PHE 87 -15.045 4.449 -7.879 577 H GLN 88 HN GLN 88 -14.984 -3.078 -6.065 578 HA GLN 88 HA GLN 88 -13.013 -5.220 -5.838 579 HB2 GLN 88 HB2 GLN 88 -16.029 -5.350 -5.631 580 HB3 GLN 88 HB1 GLN 88 -14.906 -6.635 -5.221 581 HG2 GLN 88 HG2 GLN 88 -14.829 -3.981 -3.837 582 HG3 GLN 88 HG1 GLN 88 -15.916 -5.270 -3.322 583 HE21 GLN 88 HE21 GLN 88 -13.648 -4.016 -1.951 584 HE22 GLN 88 HE22 GLN 88 -12.583 -5.312 -1.534 585 H GLN 89 HN GLN 89 -13.064 -7.074 -7.213 586 HA GLN 89 HA GLN 89 -13.786 -6.429 -9.940 587 HB2 GLN 89 HB2 GLN 89 -11.638 -7.545 -9.406 588 HB3 GLN 89 HB1 GLN 89 -12.527 -8.939 -8.804 589 HG2 GLN 89 HG2 GLN 89 -11.621 -9.230 -11.087 590 HG3 GLN 89 HG1 GLN 89 -13.366 -9.434 -10.979 591 HE21 GLN 89 HE21 GLN 89 -13.690 -9.002 -13.140 592 HE22 GLN 89 HE22 GLN 89 -13.512 -7.423 -13.818 593 H GLN 90 HN GLN 90 -15.276 -7.524 -11.206 594 HA GLN 90 HA GLN 90 -17.596 -8.443 -9.881 595 HB2 GLN 90 HB2 GLN 90 -16.752 -8.430 -12.769 596 HB3 GLN 90 HB1 GLN 90 -18.271 -9.151 -12.261 597 HG2 GLN 90 HG2 GLN 90 -18.888 -7.018 -12.899 598 HG3 GLN 90 HG1 GLN 90 -18.736 -6.879 -11.147 599 HE21 GLN 90 HE21 GLN 90 -18.360 -4.683 -11.191 600 HE22 GLN 90 HE22 GLN 90 -16.889 -3.996 -11.787 601 H THR 91 HN THR 91 -18.389 -10.435 -9.531 602 HA THR 91 HA THR 91 -16.528 -12.630 -9.551 603 HB THR 91 HB THR 91 -19.369 -13.116 -8.868 604 HG1 THR 91 HG1 THR 91 -17.816 -11.652 -7.013 605 HG21 THR 91 HG21 THR 91 -18.338 -14.224 -6.933 606 HG22 THR 91 HG22 THR 91 -16.754 -13.638 -7.442 607 HG23 THR 91 HG23 THR 91 -17.635 -14.789 -8.447 608 H GLY 92 HN GLY 92 -19.472 -11.689 -11.237 609 HA2 GLY 92 HA2 GLY 92 -19.430 -12.476 -13.642 610 HA3 GLY 92 HA1 GLY 92 -19.201 -14.080 -12.958 611 H1 ASP 195 HN ASP 195 -13.369 5.583 15.184 612 HA ASP 195 HA ASP 195 -15.058 4.928 13.199 613 HB2 ASP 195 HB2 ASP 195 -14.658 7.548 12.729 614 HB3 ASP 195 HB1 ASP 195 -13.313 6.880 11.807 615 H THR 196 HN THR 196 -13.167 5.007 10.899 616 HA THR 196 HA THR 196 -11.086 3.298 12.100 617 HB THR 196 HB THR 196 -12.057 3.014 9.274 618 HG1 THR 196 HG1 THR 196 -13.860 2.286 10.096 619 HG21 THR 196 HG21 THR 196 -11.178 0.728 9.534 620 HG22 THR 196 HG22 THR 196 -10.674 1.115 11.179 621 HG23 THR 196 HG23 THR 196 -9.936 1.947 9.810 622 H ALA 197 HN ALA 197 -9.105 4.092 11.926 623 HA ALA 197 HA ALA 197 -8.434 5.691 9.540 624 HB1 ALA 197 HB1 ALA 197 -8.608 7.120 11.542 625 HB2 ALA 197 HB2 ALA 197 -6.963 7.057 10.909 626 HB3 ALA 197 HB3 ALA 197 -7.389 6.122 12.342 627 H GLY 198 HN GLY 198 -6.835 4.825 8.386 628 HA2 GLY 198 HA2 GLY 198 -4.991 2.972 9.761 629 HA3 GLY 198 HA1 GLY 198 -5.617 2.672 8.143 630 H CYS 199 HN CYS 199 -2.836 3.369 9.509 631 HA CYS 199 HA CYS 199 -2.130 5.291 7.381 632 HB2 CYS 199 HB2 CYS 199 -0.603 4.927 9.961 633 HB3 CYS 199 HB1 CYS 199 -0.408 6.204 8.767 634 HG CYS 199 HG CYS 199 -3.433 6.579 9.575 635 H ILE 200 HN ILE 200 -0.860 4.497 5.859 636 HA ILE 200 HA ILE 200 0.929 2.260 6.532 637 HB ILE 200 HB ILE 200 -0.526 2.539 3.896 638 HG12 ILE 200 HG12 ILE 200 -1.040 0.674 6.224 639 HG13 ILE 200 HG11 ILE 200 -2.108 1.957 5.661 640 HG21 ILE 200 HG21 ILE 200 0.308 -0.015 4.008 641 HG22 ILE 200 HG22 ILE 200 1.598 0.766 4.920 642 HG23 ILE 200 HG23 ILE 200 1.248 1.283 3.270 643 HD11 ILE 200 HD11 ILE 200 -3.033 -0.020 4.840 644 HD12 ILE 200 HD12 ILE 200 -1.466 -0.655 4.342 645 HD13 ILE 200 HD13 ILE 200 -2.195 0.685 3.459 646 H VAL 201 HN VAL 201 3.002 2.533 5.952 647 HA VAL 201 HA VAL 201 3.619 4.692 4.051 648 HB VAL 201 HB VAL 201 4.290 5.484 6.216 649 HG11 VAL 201 HG11 VAL 201 4.320 3.368 7.411 650 HG12 VAL 201 HG12 VAL 201 5.823 4.257 7.664 651 HG13 VAL 201 HG13 VAL 201 5.786 2.892 6.552 652 HG21 VAL 201 HG21 VAL 201 5.864 6.120 4.598 653 HG22 VAL 201 HG22 VAL 201 6.566 4.503 4.532 654 HG23 VAL 201 HG23 VAL 201 6.817 5.514 5.954 655 H ILE 202 HN ILE 202 4.889 4.103 2.345 656 HA ILE 202 HA ILE 202 6.189 1.472 2.526 657 HB ILE 202 HB ILE 202 5.721 0.943 0.266 658 HG12 ILE 202 HG12 ILE 202 4.612 3.743 -0.016 659 HG13 ILE 202 HG11 ILE 202 6.065 3.106 -0.779 660 HG21 ILE 202 HG21 ILE 202 3.887 0.420 1.692 661 HG22 ILE 202 HG22 ILE 202 3.224 1.028 0.177 662 HG23 ILE 202 HG23 ILE 202 3.265 2.069 1.604 663 HD11 ILE 202 HD11 ILE 202 4.593 2.984 -2.504 664 HD12 ILE 202 HD12 ILE 202 3.214 2.652 -1.449 665 HD13 ILE 202 HD13 ILE 202 4.382 1.382 -1.794 666 H SEP 203 HN SEP 203 8.264 1.360 1.969 667 HA SEP 203 HA SEP 203 9.495 3.824 0.961 668 HB2 SEP 203 HB1 SEP 203 11.564 2.553 2.164 669 HB3 SEP 203 HB2 SEP 203 10.230 2.005 3.178 670 H ASP 204 HN ASP 204 10.653 3.672 -0.824 671 HA ASP 204 HA ASP 204 11.376 1.006 -1.817 672 HB2 ASP 204 HB2 ASP 204 9.498 2.058 -3.084 673 HB3 ASP 204 HB1 ASP 204 10.568 3.392 -3.491 674 H SEP 205 HN SEP 205 13.507 0.762 -2.238 675 HA SEP 205 HA SEP 205 15.084 3.237 -2.359 676 HB2 SEP 205 HB1 SEP 205 15.813 2.260 -0.384 677 HB3 SEP 205 HB2 SEP 205 16.957 1.579 -1.534 678 H GLU 206 HN GLU 206 16.206 3.601 -4.116 679 HA GLU 206 HA GLU 206 16.639 1.371 -5.988 680 HB2 GLU 206 HB2 GLU 206 14.947 3.186 -6.619 681 HB3 GLU 206 HB1 GLU 206 16.328 4.261 -6.781 682 HG2 GLU 206 HG2 GLU 206 15.666 3.379 -8.929 683 HG3 GLU 206 HG1 GLU 206 17.272 2.801 -8.487 Start of MODEL 19 1 H1 ASP 16 HN ASP 16 10.910 14.634 -1.229 2 HA ASP 16 HA ASP 16 10.698 14.652 1.482 3 HB2 ASP 16 HB2 ASP 16 9.164 16.893 0.265 4 HB3 ASP 16 HB1 ASP 16 8.365 15.976 1.538 5 H HIS 17 HN HIS 17 8.281 14.002 2.177 6 HA HIS 17 HA HIS 17 7.587 11.819 0.365 7 HB2 HIS 17 HB2 HIS 17 6.898 12.421 3.241 8 HB3 HIS 17 HB1 HIS 17 6.101 11.138 2.341 9 HD2 HIS 17 HD2 HIS 17 7.423 8.790 2.233 10 HE1 HIS 17 HE1 HIS 17 10.994 10.166 4.033 11 HE2 HIS 17 HE2 HIS 17 9.740 8.121 3.208 12 H ILE 18 HN ILE 18 5.204 11.281 0.228 13 HA ILE 18 HA ILE 18 3.581 13.727 0.055 14 HB ILE 18 HB ILE 18 4.337 12.912 -2.208 15 HG12 ILE 18 HG12 ILE 18 1.350 12.664 -1.893 16 HG13 ILE 18 HG11 ILE 18 2.187 14.202 -1.707 17 HG21 ILE 18 HG21 ILE 18 3.232 10.923 -3.148 18 HG22 ILE 18 HG22 ILE 18 2.576 10.554 -1.552 19 HG23 ILE 18 HG23 ILE 18 4.320 10.524 -1.818 20 HD11 ILE 18 HD11 ILE 18 2.953 14.126 -3.969 21 HD12 ILE 18 HD12 ILE 18 1.210 13.843 -3.954 22 HD13 ILE 18 HD13 ILE 18 2.323 12.491 -4.177 23 H ASN 19 HN ASN 19 1.452 13.527 0.733 24 HA ASN 19 HA ASN 19 0.842 10.970 2.066 25 HB2 ASN 19 HB2 ASN 19 0.053 13.803 2.703 26 HB3 ASN 19 HB1 ASN 19 -0.837 12.434 3.364 27 HD21 ASN 19 HD21 ASN 19 2.095 14.255 3.444 28 HD22 ASN 19 HD22 ASN 19 2.781 13.484 4.831 29 H LEU 20 HN LEU 20 -0.333 9.776 0.763 30 HA LEU 20 HA LEU 20 -2.509 10.993 -0.780 31 HB2 LEU 20 HB2 LEU 20 -1.474 8.163 -0.929 32 HB3 LEU 20 HB1 LEU 20 -2.536 8.967 -2.070 33 HG LEU 20 HG LEU 20 0.344 9.730 -1.582 34 HD11 LEU 20 HD11 LEU 20 0.732 8.746 -3.815 35 HD12 LEU 20 HD12 LEU 20 -0.918 8.123 -3.797 36 HD13 LEU 20 HD13 LEU 20 0.253 7.554 -2.606 37 HD21 LEU 20 HD21 LEU 20 -1.685 10.653 -3.606 38 HD22 LEU 20 HD22 LEU 20 0.041 11.022 -3.672 39 HD23 LEU 20 HD23 LEU 20 -0.939 11.614 -2.328 40 H LYS 21 HN LYS 21 -4.577 9.616 -0.868 41 HA LYS 21 HA LYS 21 -5.037 8.275 1.705 42 HB2 LYS 21 HB2 LYS 21 -6.671 10.536 0.567 43 HB3 LYS 21 HB1 LYS 21 -7.274 9.461 1.818 44 HG2 LYS 21 HG2 LYS 21 -5.575 10.170 3.347 45 HG3 LYS 21 HG1 LYS 21 -4.766 11.102 2.086 46 HD2 LYS 21 HD2 LYS 21 -6.678 12.598 1.936 47 HD3 LYS 21 HD1 LYS 21 -7.546 11.632 3.131 48 HE2 LYS 21 HE2 LYS 21 -5.838 12.156 4.804 49 HE3 LYS 21 HE1 LYS 21 -4.963 13.114 3.611 50 HZ1 LYS 21 HZ1 LYS 21 -7.761 13.793 4.059 51 HZ2 LYS 21 HZ2 LYS 21 -6.436 14.809 3.752 52 HZ3 LYS 21 HZ3 LYS 21 -6.676 14.170 5.299 53 H VAL 22 HN VAL 22 -6.334 6.552 1.651 54 HA VAL 22 HA VAL 22 -7.645 5.892 -0.909 55 HB VAL 22 HB VAL 22 -6.420 4.074 1.175 56 HG11 VAL 22 HG11 VAL 22 -8.580 3.150 0.473 57 HG12 VAL 22 HG12 VAL 22 -7.233 2.174 -0.119 58 HG13 VAL 22 HG13 VAL 22 -8.079 3.270 -1.214 59 HG21 VAL 22 HG21 VAL 22 -4.772 4.823 -0.337 60 HG22 VAL 22 HG22 VAL 22 -5.849 4.628 -1.722 61 HG23 VAL 22 HG23 VAL 22 -5.225 3.205 -0.884 62 H ALA 23 HN ALA 23 -9.801 5.622 -0.869 63 HA ALA 23 HA ALA 23 -11.115 5.651 1.766 64 HB1 ALA 23 HB1 ALA 23 -12.183 6.513 -0.922 65 HB2 ALA 23 HB2 ALA 23 -11.649 7.576 0.382 66 HB3 ALA 23 HB3 ALA 23 -13.074 6.559 0.599 67 H GLY 24 HN GLY 24 -11.899 3.774 2.406 68 HA2 GLY 24 HA2 GLY 24 -12.272 1.582 0.580 69 HA3 GLY 24 HA1 GLY 24 -12.578 1.569 2.310 70 H GLN 25 HN GLN 25 -14.293 0.286 0.601 71 HA GLN 25 HA GLN 25 -16.484 1.890 -0.240 72 HB2 GLN 25 HB2 GLN 25 -16.270 -1.075 0.301 73 HB3 GLN 25 HB1 GLN 25 -17.696 -0.311 -0.385 74 HG2 GLN 25 HG2 GLN 25 -14.961 -0.182 -1.618 75 HG3 GLN 25 HG1 GLN 25 -16.184 -1.378 -2.039 76 HE21 GLN 25 HE21 GLN 25 -14.890 0.737 -3.633 77 HE22 GLN 25 HE22 GLN 25 -16.183 1.688 -4.277 78 H ASP 26 HN ASP 26 -15.470 0.950 2.816 79 HA ASP 26 HA ASP 26 -18.168 1.030 3.955 80 HB2 ASP 26 HB2 ASP 26 -17.266 0.075 5.927 81 HB3 ASP 26 HB1 ASP 26 -16.468 -0.765 4.600 82 H GLY 27 HN GLY 27 -15.497 3.050 3.397 83 HA2 GLY 27 HA2 GLY 27 -15.841 5.421 3.780 84 HA3 GLY 27 HA1 GLY 27 -16.606 5.007 5.304 85 H SER 28 HN SER 28 -14.130 2.951 5.304 86 HA SER 28 HA SER 28 -12.619 4.392 7.197 87 HB2 SER 28 HB2 SER 28 -10.954 2.528 6.912 88 HB3 SER 28 HB1 SER 28 -12.594 1.981 7.247 89 HG SER 28 HG SER 28 -12.803 1.246 5.232 90 H VAL 29 HN VAL 29 -10.677 5.497 7.024 91 HA VAL 29 HA VAL 29 -9.842 6.109 4.272 92 HB VAL 29 HB VAL 29 -10.791 8.079 5.297 93 HG11 VAL 29 HG11 VAL 29 -10.535 7.468 7.638 94 HG12 VAL 29 HG12 VAL 29 -9.879 9.075 7.331 95 HG13 VAL 29 HG13 VAL 29 -8.791 7.702 7.521 96 HG21 VAL 29 HG21 VAL 29 -8.883 9.629 5.157 97 HG22 VAL 29 HG22 VAL 29 -8.885 8.450 3.844 98 HG23 VAL 29 HG23 VAL 29 -7.782 8.252 5.205 99 H VAL 30 HN VAL 30 -7.867 5.565 3.700 100 HA VAL 30 HA VAL 30 -5.937 4.916 5.826 101 HB VAL 30 HB VAL 30 -6.019 3.820 3.009 102 HG11 VAL 30 HG11 VAL 30 -4.296 2.243 3.888 103 HG12 VAL 30 HG12 VAL 30 -4.207 3.231 5.344 104 HG13 VAL 30 HG13 VAL 30 -3.754 3.916 3.785 105 HG21 VAL 30 HG21 VAL 30 -6.634 1.696 4.093 106 HG22 VAL 30 HG22 VAL 30 -7.848 2.951 4.353 107 HG23 VAL 30 HG23 VAL 30 -6.723 2.531 5.645 108 H GLN 31 HN GLN 31 -4.259 6.181 6.015 109 HA GLN 31 HA GLN 31 -3.671 8.171 3.976 110 HB2 GLN 31 HB2 GLN 31 -3.810 8.598 6.513 111 HB3 GLN 31 HB1 GLN 31 -2.243 7.813 6.607 112 HG2 GLN 31 HG2 GLN 31 -1.286 9.493 5.142 113 HG3 GLN 31 HG1 GLN 31 -2.863 10.266 4.973 114 HE21 GLN 31 HE21 GLN 31 -0.385 11.374 5.985 115 HE22 GLN 31 HE22 GLN 31 -0.716 11.907 7.596 116 H PHE 32 HN PHE 32 -2.223 7.753 2.454 117 HA PHE 32 HA PHE 32 -0.242 5.631 2.915 118 HB2 PHE 32 HB2 PHE 32 -1.818 6.488 0.622 119 HB3 PHE 32 HB1 PHE 32 -0.106 6.339 0.239 120 HD1 PHE 32 HD1 PHE 32 -3.136 4.559 1.192 121 HD2 PHE 32 HD2 PHE 32 1.026 4.196 0.386 122 HE1 PHE 32 HE1 PHE 32 -3.392 2.119 0.997 123 HE2 PHE 32 HE2 PHE 32 0.779 1.758 0.185 124 HZ PHE 32 HZ PHE 32 -1.432 0.715 0.491 125 H LYS 33 HN LYS 33 1.562 6.452 3.720 126 HA LYS 33 HA LYS 33 2.571 9.016 2.713 127 HB2 LYS 33 HB2 LYS 33 2.462 8.841 5.134 128 HB3 LYS 33 HB1 LYS 33 3.374 7.339 5.102 129 HG2 LYS 33 HG2 LYS 33 5.363 8.440 4.491 130 HG3 LYS 33 HG1 LYS 33 4.505 9.929 4.090 131 HD2 LYS 33 HD2 LYS 33 4.398 10.598 6.242 132 HD3 LYS 33 HD1 LYS 33 4.164 8.959 6.849 133 HE2 LYS 33 HE2 LYS 33 6.492 8.487 6.691 134 HE3 LYS 33 HE1 LYS 33 6.792 9.982 5.804 135 HZ1 LYS 33 HZ1 LYS 33 7.413 10.070 8.186 136 HZ2 LYS 33 HZ2 LYS 33 5.785 9.886 8.587 137 HZ3 LYS 33 HZ3 LYS 33 6.292 11.253 7.735 138 H ILE 34 HN ILE 34 3.533 8.581 0.817 139 HA ILE 34 HA ILE 34 5.810 6.729 0.869 140 HB ILE 34 HB ILE 34 5.166 5.494 -0.937 141 HG12 ILE 34 HG12 ILE 34 3.622 7.892 -1.948 142 HG13 ILE 34 HG11 ILE 34 5.155 7.273 -2.559 143 HG21 ILE 34 HG21 ILE 34 3.357 5.286 0.731 144 HG22 ILE 34 HG22 ILE 34 2.818 4.963 -0.916 145 HG23 ILE 34 HG23 ILE 34 2.438 6.506 -0.150 146 HD11 ILE 34 HD11 ILE 34 2.522 5.823 -2.689 147 HD12 ILE 34 HD12 ILE 34 4.060 5.265 -3.350 148 HD13 ILE 34 HD13 ILE 34 3.282 6.701 -4.018 149 H LYS 35 HN LYS 35 7.143 7.126 -1.292 150 HA LYS 35 HA LYS 35 7.542 10.023 -1.420 151 HB2 LYS 35 HB2 LYS 35 9.254 7.642 -2.020 152 HB3 LYS 35 HB1 LYS 35 9.628 9.181 -2.785 153 HG2 LYS 35 HG2 LYS 35 10.363 10.110 -0.860 154 HG3 LYS 35 HG1 LYS 35 9.190 9.242 0.135 155 HD2 LYS 35 HD2 LYS 35 10.490 7.232 0.030 156 HD3 LYS 35 HD1 LYS 35 11.585 7.945 -1.157 157 HE2 LYS 35 HE2 LYS 35 12.535 9.392 0.429 158 HE3 LYS 35 HE1 LYS 35 11.218 9.141 1.574 159 HZ1 LYS 35 HZ1 LYS 35 13.039 6.956 0.765 160 HZ2 LYS 35 HZ2 LYS 35 11.992 7.007 2.098 161 HZ3 LYS 35 HZ3 LYS 35 13.378 7.979 2.066 162 H ARG 36 HN ARG 36 8.005 11.005 -3.534 163 HA ARG 36 HA ARG 36 5.921 10.459 -5.370 164 HB2 ARG 36 HB2 ARG 36 8.376 12.181 -5.747 165 HB3 ARG 36 HB1 ARG 36 6.926 12.228 -6.739 166 HG2 ARG 36 HG2 ARG 36 5.621 13.012 -4.863 167 HG3 ARG 36 HG1 ARG 36 7.017 12.861 -3.797 168 HD2 ARG 36 HD2 ARG 36 6.987 15.125 -4.304 169 HD3 ARG 36 HD1 ARG 36 8.177 14.476 -5.428 170 HE ARG 36 HE ARG 36 6.709 14.863 -7.198 171 HH11 ARG 36 HH11 ARG 36 5.243 15.693 -4.122 172 HH12 ARG 36 HH12 ARG 36 3.935 16.581 -4.836 173 HH21 ARG 36 HH21 ARG 36 4.987 16.028 -8.144 174 HH22 ARG 36 HH22 ARG 36 3.789 16.773 -7.126 175 H HIS 37 HN HIS 37 9.162 9.302 -5.119 176 HA HIS 37 HA HIS 37 9.166 8.340 -7.874 177 HB2 HIS 37 HB2 HIS 37 11.477 7.658 -7.445 178 HB3 HIS 37 HB1 HIS 37 11.228 9.348 -7.032 179 HD2 HIS 37 HD2 HIS 37 11.879 10.036 -4.493 180 HE1 HIS 37 HE1 HIS 37 12.669 6.119 -3.105 181 HE2 HIS 37 HE2 HIS 37 12.846 8.589 -2.570 182 H THR 38 HN THR 38 7.896 7.305 -5.065 183 HA THR 38 HA THR 38 8.726 4.552 -5.119 184 HB THR 38 HB THR 38 6.436 5.851 -3.628 185 HG1 THR 38 HG1 THR 38 9.033 6.158 -3.330 186 HG21 THR 38 HG21 THR 38 6.621 3.246 -3.991 187 HG22 THR 38 HG22 THR 38 6.186 3.917 -2.422 188 HG23 THR 38 HG23 THR 38 7.838 3.382 -2.723 189 HA PRO 39 HA PRO 39 6.015 3.327 -8.463 190 HB2 PRO 39 HB2 PRO 39 6.363 0.690 -7.124 191 HB3 PRO 39 HB1 PRO 39 6.601 1.131 -8.822 192 HG2 PRO 39 HG2 PRO 39 8.694 0.732 -7.247 193 HG3 PRO 39 HG1 PRO 39 8.695 2.032 -8.455 194 HD2 PRO 39 HD2 PRO 39 8.352 2.204 -5.501 195 HD3 PRO 39 HD1 PRO 39 9.171 3.316 -6.618 196 H LEU 40 HN LEU 40 3.855 3.182 -8.601 197 HA LEU 40 HA LEU 40 2.287 3.184 -6.215 198 HB2 LEU 40 HB2 LEU 40 1.526 3.162 -9.131 199 HB3 LEU 40 HB1 LEU 40 0.358 3.261 -7.826 200 HG LEU 40 HG LEU 40 2.539 5.275 -8.353 201 HD11 LEU 40 HD11 LEU 40 0.924 5.394 -10.109 202 HD12 LEU 40 HD12 LEU 40 0.632 6.736 -9.003 203 HD13 LEU 40 HD13 LEU 40 -0.408 5.314 -8.959 204 HD21 LEU 40 HD21 LEU 40 0.339 5.116 -6.315 205 HD22 LEU 40 HD22 LEU 40 1.111 6.635 -6.755 206 HD23 LEU 40 HD23 LEU 40 2.067 5.336 -6.049 207 H SER 41 HN SER 41 3.572 0.714 -8.076 208 HA SER 41 HA SER 41 1.522 -1.205 -8.033 209 HB2 SER 41 HB2 SER 41 3.618 -2.800 -8.009 210 HB3 SER 41 HB1 SER 41 3.294 -1.789 -9.418 211 HG SER 41 HG SER 41 5.243 -1.089 -9.083 212 H LYS 42 HN LYS 42 3.910 -0.231 -5.634 213 HA LYS 42 HA LYS 42 3.414 -2.379 -3.835 214 HB2 LYS 42 HB2 LYS 42 4.258 0.174 -2.633 215 HB3 LYS 42 HB1 LYS 42 4.936 -1.428 -2.448 216 HG2 LYS 42 HG2 LYS 42 6.137 -1.199 -4.531 217 HG3 LYS 42 HG1 LYS 42 5.380 0.370 -4.818 218 HD2 LYS 42 HD2 LYS 42 7.497 0.897 -3.949 219 HD3 LYS 42 HD1 LYS 42 6.400 1.088 -2.571 220 HE2 LYS 42 HE2 LYS 42 8.241 -0.090 -1.717 221 HE3 LYS 42 HE1 LYS 42 7.011 -1.322 -1.986 222 HZ1 LYS 42 HZ1 LYS 42 9.210 -0.722 -3.895 223 HZ2 LYS 42 HZ2 LYS 42 8.106 -2.006 -3.978 224 HZ3 LYS 42 HZ3 LYS 42 9.262 -1.967 -2.747 225 H LEU 43 HN LEU 43 1.908 0.694 -4.432 226 HA LEU 43 HA LEU 43 0.514 1.044 -2.023 227 HB2 LEU 43 HB2 LEU 43 0.820 2.649 -4.004 228 HB3 LEU 43 HB1 LEU 43 -0.559 1.837 -4.718 229 HG LEU 43 HG LEU 43 -0.939 2.848 -1.963 230 HD11 LEU 43 HD11 LEU 43 0.278 4.711 -2.767 231 HD12 LEU 43 HD12 LEU 43 -1.432 5.134 -2.895 232 HD13 LEU 43 HD13 LEU 43 -0.533 4.649 -4.333 233 HD21 LEU 43 HD21 LEU 43 -2.590 2.988 -4.484 234 HD22 LEU 43 HD22 LEU 43 -3.126 3.445 -2.868 235 HD23 LEU 43 HD23 LEU 43 -2.734 1.763 -3.224 236 H MET 44 HN MET 44 -0.508 -0.530 -5.049 237 HA MET 44 HA MET 44 -3.062 -1.283 -4.164 238 HB2 MET 44 HB2 MET 44 -1.272 -2.519 -6.259 239 HB3 MET 44 HB1 MET 44 -2.942 -2.997 -6.004 240 HG2 MET 44 HG2 MET 44 -3.436 -0.474 -6.356 241 HG3 MET 44 HG1 MET 44 -1.847 -0.459 -7.112 242 HE1 MET 44 HE1 MET 44 -2.268 -2.894 -10.104 243 HE2 MET 44 HE2 MET 44 -1.643 -3.281 -8.501 244 HE3 MET 44 HE3 MET 44 -1.207 -1.754 -9.273 245 H LYS 45 HN LYS 45 0.030 -2.997 -4.082 246 HA LYS 45 HA LYS 45 -1.054 -5.400 -3.016 247 HB2 LYS 45 HB2 LYS 45 1.719 -4.336 -3.388 248 HB3 LYS 45 HB1 LYS 45 1.451 -5.803 -2.455 249 HG2 LYS 45 HG2 LYS 45 0.390 -6.859 -4.357 250 HG3 LYS 45 HG1 LYS 45 0.545 -5.378 -5.297 251 HD2 LYS 45 HD2 LYS 45 2.923 -6.794 -4.133 252 HD3 LYS 45 HD1 LYS 45 2.266 -7.211 -5.716 253 HE2 LYS 45 HE2 LYS 45 2.468 -4.633 -6.137 254 HE3 LYS 45 HE1 LYS 45 3.634 -4.714 -4.818 255 HZ1 LYS 45 HZ1 LYS 45 3.743 -6.209 -7.376 256 HZ2 LYS 45 HZ2 LYS 45 4.804 -6.460 -6.084 257 HZ3 LYS 45 HZ3 LYS 45 4.781 -4.971 -6.879 258 H ALA 46 HN ALA 46 0.620 -2.632 -1.519 259 HA ALA 46 HA ALA 46 0.941 -3.656 1.043 260 HB1 ALA 46 HB1 ALA 46 1.913 -1.536 0.301 261 HB2 ALA 46 HB2 ALA 46 1.031 -1.347 1.816 262 HB3 ALA 46 HB3 ALA 46 0.310 -0.803 0.302 263 H TYR 47 HN TYR 47 -1.865 -1.895 -0.268 264 HA TYR 47 HA TYR 47 -3.322 -2.111 2.183 265 HB2 TYR 47 HB2 TYR 47 -3.714 -0.294 0.528 266 HB3 TYR 47 HB1 TYR 47 -4.378 -1.489 -0.583 267 HD1 TYR 47 HD1 TYR 47 -6.673 -1.282 -0.751 268 HD2 TYR 47 HD2 TYR 47 -4.850 -0.796 3.063 269 HE1 TYR 47 HE1 TYR 47 -8.894 -0.998 0.273 270 HE2 TYR 47 HE2 TYR 47 -7.062 -0.517 4.093 271 HH TYR 47 HH TYR 47 -9.952 -1.259 2.489 272 H CYS 48 HN CYS 48 -3.116 -3.989 -0.769 273 HA CYS 48 HA CYS 48 -5.411 -5.588 -0.319 274 HB2 CYS 48 HB2 CYS 48 -3.908 -5.256 -2.455 275 HB3 CYS 48 HB1 CYS 48 -3.038 -6.643 -1.804 276 HG CYS 48 HG CYS 48 -4.951 -8.461 -2.116 277 H GLU 49 HN GLU 49 -2.005 -5.948 0.547 278 HA GLU 49 HA GLU 49 -2.164 -8.563 1.580 279 HB2 GLU 49 HB2 GLU 49 -0.293 -6.277 2.186 280 HB3 GLU 49 HB1 GLU 49 -0.103 -7.876 2.889 281 HG2 GLU 49 HG2 GLU 49 -0.149 -7.327 -0.069 282 HG3 GLU 49 HG1 GLU 49 1.321 -7.452 0.899 283 H ARG 50 HN ARG 50 -2.883 -5.427 2.952 284 HA ARG 50 HA ARG 50 -3.070 -6.295 5.652 285 HB2 ARG 50 HB2 ARG 50 -4.091 -3.877 4.185 286 HB3 ARG 50 HB1 ARG 50 -4.487 -4.152 5.875 287 HG2 ARG 50 HG2 ARG 50 -1.920 -4.395 6.166 288 HG3 ARG 50 HG1 ARG 50 -1.851 -3.543 4.622 289 HD2 ARG 50 HD2 ARG 50 -3.073 -1.682 5.537 290 HD3 ARG 50 HD1 ARG 50 -3.344 -2.551 7.047 291 HE ARG 50 HE ARG 50 -0.569 -2.297 6.467 292 HH11 ARG 50 HH11 ARG 50 -2.370 0.523 8.698 293 HH12 ARG 50 HH12 ARG 50 -3.331 -0.548 7.727 294 HH21 ARG 50 HH21 ARG 50 0.694 -0.869 7.726 295 HH22 ARG 50 HH22 ARG 50 -0.086 0.343 8.693 296 H GLN 51 HN GLN 51 -5.208 -6.411 2.934 297 HA GLN 51 HA GLN 51 -7.509 -7.052 4.603 298 HB2 GLN 51 HB2 GLN 51 -7.287 -6.923 1.589 299 HB3 GLN 51 HB1 GLN 51 -8.773 -7.087 2.510 300 HG2 GLN 51 HG2 GLN 51 -6.953 -4.700 2.360 301 HG3 GLN 51 HG1 GLN 51 -8.625 -4.833 1.820 302 HE21 GLN 51 HE21 GLN 51 -10.285 -4.899 3.382 303 HE22 GLN 51 HE22 GLN 51 -10.032 -4.283 4.979 304 H GLY 52 HN GLY 52 -4.955 -8.610 3.048 305 HA2 GLY 52 HA2 GLY 52 -4.401 -10.835 2.887 306 HA3 GLY 52 HA1 GLY 52 -5.815 -11.191 3.867 307 H LEU 53 HN LEU 53 -5.742 -9.562 0.737 308 HA LEU 53 HA LEU 53 -7.100 -11.893 -0.434 309 HB2 LEU 53 HB2 LEU 53 -7.866 -8.989 -0.725 310 HB3 LEU 53 HB1 LEU 53 -8.512 -10.272 -1.728 311 HG LEU 53 HG LEU 53 -8.833 -10.166 1.271 312 HD11 LEU 53 HD11 LEU 53 -9.955 -8.261 0.271 313 HD12 LEU 53 HD12 LEU 53 -11.138 -9.453 0.808 314 HD13 LEU 53 HD13 LEU 53 -10.741 -9.314 -0.904 315 HD21 LEU 53 HD21 LEU 53 -8.995 -12.404 0.287 316 HD22 LEU 53 HD22 LEU 53 -10.213 -11.816 -0.845 317 HD23 LEU 53 HD23 LEU 53 -10.558 -11.843 0.884 318 H SER 54 HN SER 54 -7.095 -11.819 -2.858 319 HA SER 54 HA SER 54 -4.434 -11.316 -3.772 320 HB2 SER 54 HB2 SER 54 -5.709 -13.239 -4.602 321 HB3 SER 54 HB1 SER 54 -6.908 -12.158 -5.308 322 HG SER 54 HG SER 54 -5.298 -12.931 -6.806 323 H MET 55 HN MET 55 -3.683 -9.739 -5.105 324 HA MET 55 HA MET 55 -5.032 -7.244 -5.134 325 HB2 MET 55 HB2 MET 55 -2.532 -7.619 -5.143 326 HB3 MET 55 HB1 MET 55 -2.674 -8.044 -6.844 327 HG2 MET 55 HG2 MET 55 -3.874 -5.718 -6.996 328 HG3 MET 55 HG1 MET 55 -2.973 -5.404 -5.513 329 HE1 MET 55 HE1 MET 55 -2.175 -7.407 -8.844 330 HE2 MET 55 HE2 MET 55 -1.189 -6.208 -9.678 331 HE3 MET 55 HE3 MET 55 -2.886 -5.870 -9.339 332 H ARG 56 HN ARG 56 -4.978 -9.930 -7.277 333 HA ARG 56 HA ARG 56 -5.768 -8.536 -9.652 334 HB2 ARG 56 HB2 ARG 56 -4.622 -10.870 -9.347 335 HB3 ARG 56 HB1 ARG 56 -6.272 -11.453 -9.187 336 HG2 ARG 56 HG2 ARG 56 -6.828 -10.687 -11.378 337 HG3 ARG 56 HG1 ARG 56 -5.269 -9.873 -11.537 338 HD2 ARG 56 HD2 ARG 56 -4.113 -11.987 -11.509 339 HD3 ARG 56 HD1 ARG 56 -5.621 -12.847 -11.180 340 HE ARG 56 HE ARG 56 -5.943 -11.405 -13.552 341 HH11 ARG 56 HH11 ARG 56 -4.039 -14.087 -12.354 342 HH12 ARG 56 HH12 ARG 56 -3.918 -14.858 -13.905 343 HH21 ARG 56 HH21 ARG 56 -5.805 -12.422 -15.586 344 HH22 ARG 56 HH22 ARG 56 -4.917 -13.907 -15.743 345 H GLN 57 HN GLN 57 -7.377 -9.405 -6.835 346 HA GLN 57 HA GLN 57 -9.966 -9.872 -8.048 347 HB2 GLN 57 HB2 GLN 57 -9.222 -11.110 -6.041 348 HB3 GLN 57 HB1 GLN 57 -9.196 -9.602 -5.141 349 HG2 GLN 57 HG2 GLN 57 -11.615 -9.360 -5.552 350 HG3 GLN 57 HG1 GLN 57 -11.606 -10.931 -6.351 351 HE21 GLN 57 HE21 GLN 57 -13.005 -9.995 -3.938 352 HE22 GLN 57 HE22 GLN 57 -12.541 -11.084 -2.677 353 H ILE 58 HN ILE 58 -8.188 -7.131 -7.084 354 HA ILE 58 HA ILE 58 -10.686 -5.574 -6.938 355 HB ILE 58 HB ILE 58 -9.135 -3.850 -5.725 356 HG12 ILE 58 HG12 ILE 58 -7.782 -6.483 -5.106 357 HG13 ILE 58 HG11 ILE 58 -7.059 -5.102 -5.923 358 HG21 ILE 58 HG21 ILE 58 -10.344 -6.280 -4.427 359 HG22 ILE 58 HG22 ILE 58 -11.122 -4.729 -4.738 360 HG23 ILE 58 HG23 ILE 58 -9.826 -4.840 -3.547 361 HD11 ILE 58 HD11 ILE 58 -7.881 -5.325 -3.046 362 HD12 ILE 58 HD12 ILE 58 -7.466 -3.793 -3.814 363 HD13 ILE 58 HD13 ILE 58 -6.262 -5.079 -3.704 364 H ARG 59 HN ARG 59 -10.279 -3.209 -7.435 365 HA ARG 59 HA ARG 59 -8.311 -2.818 -9.573 366 HB2 ARG 59 HB2 ARG 59 -11.287 -2.389 -9.778 367 HB3 ARG 59 HB1 ARG 59 -10.153 -1.542 -10.819 368 HG2 ARG 59 HG2 ARG 59 -10.621 -4.507 -10.653 369 HG3 ARG 59 HG1 ARG 59 -10.983 -3.431 -12.004 370 HD2 ARG 59 HD2 ARG 59 -8.522 -2.945 -12.133 371 HD3 ARG 59 HD1 ARG 59 -8.276 -4.235 -10.958 372 HE ARG 59 HE ARG 59 -9.028 -4.516 -13.746 373 HH11 ARG 59 HH11 ARG 59 -8.623 -6.041 -10.615 374 HH12 ARG 59 HH12 ARG 59 -8.559 -7.650 -11.266 375 HH21 ARG 59 HH21 ARG 59 -8.947 -6.629 -14.601 376 HH22 ARG 59 HH22 ARG 59 -8.740 -7.979 -13.536 377 H PHE 60 HN PHE 60 -7.276 -0.944 -9.350 378 HA PHE 60 HA PHE 60 -8.361 0.998 -7.436 379 HB2 PHE 60 HB2 PHE 60 -5.574 0.397 -8.402 380 HB3 PHE 60 HB1 PHE 60 -5.955 1.931 -7.631 381 HD1 PHE 60 HD1 PHE 60 -6.445 -1.722 -7.042 382 HD2 PHE 60 HD2 PHE 60 -5.600 2.101 -5.377 383 HE1 PHE 60 HE1 PHE 60 -6.122 -2.758 -4.836 384 HE2 PHE 60 HE2 PHE 60 -5.281 1.072 -3.165 385 HZ PHE 60 HZ PHE 60 -5.541 -1.363 -2.894 386 H ARG 61 HN ARG 61 -9.015 2.952 -8.099 387 HA ARG 61 HA ARG 61 -8.282 3.779 -10.828 388 HB2 ARG 61 HB2 ARG 61 -10.993 3.696 -9.547 389 HB3 ARG 61 HB1 ARG 61 -10.644 4.894 -10.784 390 HG2 ARG 61 HG2 ARG 61 -9.935 3.001 -12.269 391 HG3 ARG 61 HG1 ARG 61 -10.593 1.903 -11.054 392 HD2 ARG 61 HD2 ARG 61 -12.783 2.794 -11.332 393 HD3 ARG 61 HD1 ARG 61 -12.179 4.114 -12.334 394 HE ARG 61 HE ARG 61 -11.609 1.525 -13.423 395 HH11 ARG 61 HH11 ARG 61 -14.859 3.548 -14.631 396 HH12 ARG 61 HH12 ARG 61 -14.052 4.013 -13.170 397 HH21 ARG 61 HH21 ARG 61 -12.646 0.927 -15.364 398 HH22 ARG 61 HH22 ARG 61 -14.059 1.790 -15.884 399 H PHE 62 HN PHE 62 -7.686 5.820 -11.104 400 HA PHE 62 HA PHE 62 -8.062 7.728 -8.901 401 HB2 PHE 62 HB2 PHE 62 -5.754 6.843 -8.783 402 HB3 PHE 62 HB1 PHE 62 -5.494 7.325 -10.457 403 HD1 PHE 62 HD1 PHE 62 -6.578 8.792 -7.201 404 HD2 PHE 62 HD2 PHE 62 -4.473 9.343 -10.865 405 HE1 PHE 62 HE1 PHE 62 -5.864 11.019 -6.456 406 HE2 PHE 62 HE2 PHE 62 -3.757 11.574 -10.115 407 HZ PHE 62 HZ PHE 62 -4.455 12.412 -7.909 408 H ASP 63 HN ASP 63 -8.866 9.609 -9.568 409 HA ASP 63 HA ASP 63 -9.638 11.278 -10.903 410 HB2 ASP 63 HB2 ASP 63 -7.139 11.365 -11.506 411 HB3 ASP 63 HB1 ASP 63 -7.577 10.501 -12.974 412 H GLY 64 HN GLY 64 -10.466 8.428 -11.151 413 HA2 GLY 64 HA2 GLY 64 -12.305 7.521 -12.252 414 HA3 GLY 64 HA1 GLY 64 -12.178 8.786 -13.462 415 H GLN 65 HN GLN 65 -9.136 7.611 -13.191 416 HA GLN 65 HA GLN 65 -9.590 5.713 -15.400 417 HB2 GLN 65 HB2 GLN 65 -6.912 6.929 -14.912 418 HB3 GLN 65 HB1 GLN 65 -7.648 6.424 -16.424 419 HG2 GLN 65 HG2 GLN 65 -8.435 8.867 -14.852 420 HG3 GLN 65 HG1 GLN 65 -7.360 8.859 -16.250 421 HE21 GLN 65 HE21 GLN 65 -9.996 10.123 -15.743 422 HE22 GLN 65 HE22 GLN 65 -11.001 9.614 -17.056 423 HA PRO 66 HA PRO 66 -7.991 2.454 -12.829 424 HB2 PRO 66 HB2 PRO 66 -6.922 1.278 -15.321 425 HB3 PRO 66 HB1 PRO 66 -8.098 0.610 -14.181 426 HG2 PRO 66 HG2 PRO 66 -8.859 1.459 -16.591 427 HG3 PRO 66 HG1 PRO 66 -9.884 1.678 -15.159 428 HD2 PRO 66 HD2 PRO 66 -8.163 3.672 -16.565 429 HD3 PRO 66 HD1 PRO 66 -9.779 3.872 -15.856 430 H ILE 67 HN ILE 67 -6.083 2.101 -11.794 431 HA ILE 67 HA ILE 67 -3.760 3.559 -12.766 432 HB ILE 67 HB ILE 67 -3.886 1.989 -10.200 433 HG12 ILE 67 HG12 ILE 67 -4.771 4.854 -10.618 434 HG13 ILE 67 HG11 ILE 67 -5.860 3.499 -10.350 435 HG21 ILE 67 HG21 ILE 67 -2.221 3.590 -9.462 436 HG22 ILE 67 HG22 ILE 67 -2.357 4.470 -10.984 437 HG23 ILE 67 HG23 ILE 67 -1.702 2.832 -10.967 438 HD11 ILE 67 HD11 ILE 67 -4.529 3.157 -8.177 439 HD12 ILE 67 HD12 ILE 67 -5.698 4.474 -8.270 440 HD13 ILE 67 HD13 ILE 67 -3.976 4.807 -8.448 441 H ASN 68 HN ASN 68 -1.852 2.678 -13.353 442 HA ASN 68 HA ASN 68 -1.864 -0.196 -13.917 443 HB2 ASN 68 HB2 ASN 68 -0.557 2.179 -15.148 444 HB3 ASN 68 HB1 ASN 68 0.303 0.644 -15.238 445 HD21 ASN 68 HD21 ASN 68 -1.055 2.344 -17.281 446 HD22 ASN 68 HD22 ASN 68 -2.132 1.262 -18.095 447 H GLU 69 HN GLU 69 0.201 -1.363 -13.699 448 HA GLU 69 HA GLU 69 1.332 -0.858 -11.077 449 HB2 GLU 69 HB2 GLU 69 1.919 -3.093 -13.029 450 HB3 GLU 69 HB1 GLU 69 2.373 -3.046 -11.332 451 HG2 GLU 69 HG2 GLU 69 0.095 -3.217 -10.648 452 HG3 GLU 69 HG1 GLU 69 -0.470 -3.015 -12.306 453 H THR 70 HN THR 70 2.012 0.432 -13.949 454 HA THR 70 HA THR 70 4.921 0.355 -13.528 455 HB THR 70 HB THR 70 4.632 1.290 -16.075 456 HG1 THR 70 HG1 THR 70 2.716 0.733 -16.774 457 HG21 THR 70 HG21 THR 70 4.836 -1.594 -15.199 458 HG22 THR 70 HG22 THR 70 6.179 -0.463 -15.362 459 HG23 THR 70 HG23 THR 70 5.278 -0.976 -16.789 460 H ASP 71 HN ASP 71 2.538 2.270 -12.675 461 HA ASP 71 HA ASP 71 3.781 4.742 -13.659 462 HB2 ASP 71 HB2 ASP 71 1.003 4.081 -12.779 463 HB3 ASP 71 HB1 ASP 71 1.579 5.738 -12.637 464 H THR 72 HN THR 72 3.796 6.578 -12.161 465 HA THR 72 HA THR 72 4.184 5.801 -9.353 466 HB THR 72 HB THR 72 6.050 7.691 -9.496 467 HG1 THR 72 HG1 THR 72 6.263 6.497 -12.075 468 HG21 THR 72 HG21 THR 72 6.450 4.825 -10.356 469 HG22 THR 72 HG22 THR 72 6.502 5.459 -8.711 470 HG23 THR 72 HG23 THR 72 7.747 5.918 -9.871 471 HA PRO 73 HA PRO 73 1.790 9.354 -8.220 472 HB2 PRO 73 HB2 PRO 73 4.079 10.426 -6.651 473 HB3 PRO 73 HB1 PRO 73 2.432 10.059 -6.123 474 HG2 PRO 73 HG2 PRO 73 4.450 8.479 -5.438 475 HG3 PRO 73 HG1 PRO 73 2.859 7.807 -5.855 476 HD2 PRO 73 HD2 PRO 73 5.361 7.880 -7.475 477 HD3 PRO 73 HD1 PRO 73 4.124 6.613 -7.363 478 H ALA 74 HN ALA 74 5.186 10.156 -8.874 479 HA ALA 74 HA ALA 74 4.694 12.840 -9.652 480 HB1 ALA 74 HB1 ALA 74 7.039 11.096 -10.389 481 HB2 ALA 74 HB2 ALA 74 6.887 11.992 -8.879 482 HB3 ALA 74 HB3 ALA 74 6.981 12.858 -10.411 483 H GLN 75 HN GLN 75 4.802 9.790 -11.389 484 HA GLN 75 HA GLN 75 4.872 10.845 -14.014 485 HB2 GLN 75 HB2 GLN 75 5.400 8.488 -13.381 486 HB3 GLN 75 HB1 GLN 75 3.686 8.220 -13.102 487 HG2 GLN 75 HG2 GLN 75 4.329 7.358 -15.261 488 HG3 GLN 75 HG1 GLN 75 3.230 8.724 -15.456 489 HE21 GLN 75 HE21 GLN 75 3.950 9.055 -17.566 490 HE22 GLN 75 HE22 GLN 75 5.487 9.773 -17.901 491 H LEU 76 HN LEU 76 2.238 10.047 -11.820 492 HA LEU 76 HA LEU 76 0.250 10.779 -13.817 493 HB2 LEU 76 HB2 LEU 76 -0.026 9.870 -10.954 494 HB3 LEU 76 HB1 LEU 76 -1.379 10.234 -12.007 495 HG LEU 76 HG LEU 76 0.644 8.026 -12.429 496 HD11 LEU 76 HD11 LEU 76 -0.904 7.625 -10.567 497 HD12 LEU 76 HD12 LEU 76 -1.190 6.527 -11.916 498 HD13 LEU 76 HD13 LEU 76 -2.267 7.898 -11.650 499 HD21 LEU 76 HD21 LEU 76 -1.792 8.834 -14.013 500 HD22 LEU 76 HD22 LEU 76 -0.926 7.312 -14.217 501 HD23 LEU 76 HD23 LEU 76 -0.116 8.839 -14.559 502 H GLU 77 HN GLU 77 2.238 12.457 -11.895 503 HA GLU 77 HA GLU 77 2.313 14.537 -11.000 504 HB2 GLU 77 HB2 GLU 77 -0.071 15.042 -12.787 505 HB3 GLU 77 HB1 GLU 77 0.989 16.262 -12.096 506 HG2 GLU 77 HG2 GLU 77 2.671 14.504 -13.469 507 HG3 GLU 77 HG1 GLU 77 1.276 14.749 -14.518 508 H MET 78 HN MET 78 1.185 12.783 -9.353 509 HA MET 78 HA MET 78 -1.393 13.639 -8.412 510 HB2 MET 78 HB2 MET 78 0.645 11.744 -7.241 511 HB3 MET 78 HB1 MET 78 -0.946 12.036 -6.551 512 HG2 MET 78 HG2 MET 78 -1.984 11.213 -8.600 513 HG3 MET 78 HG1 MET 78 -0.387 10.919 -9.283 514 HE1 MET 78 HE1 MET 78 -3.031 9.858 -6.612 515 HE2 MET 78 HE2 MET 78 -1.668 10.336 -5.600 516 HE3 MET 78 HE3 MET 78 -2.153 8.644 -5.684 517 H GLU 79 HN GLU 79 -1.779 14.318 -6.217 518 HA GLU 79 HA GLU 79 0.397 15.957 -5.091 519 HB2 GLU 79 HB2 GLU 79 -2.441 16.728 -5.725 520 HB3 GLU 79 HB1 GLU 79 -1.559 17.541 -4.440 521 HG2 GLU 79 HG2 GLU 79 -0.352 17.321 -7.156 522 HG3 GLU 79 HG1 GLU 79 -1.590 18.533 -6.833 523 H ASP 80 HN ASP 80 -0.526 16.802 -2.829 524 HA ASP 80 HA ASP 80 -0.904 14.427 -1.272 525 HB2 ASP 80 HB2 ASP 80 -0.811 17.359 -0.535 526 HB3 ASP 80 HB1 ASP 80 -1.037 16.075 0.650 527 H GLU 81 HN GLU 81 -2.665 14.078 0.199 528 HA GLU 81 HA GLU 81 -4.850 13.881 0.766 529 HB2 GLU 81 HB2 GLU 81 -5.178 16.576 -0.561 530 HB3 GLU 81 HB1 GLU 81 -6.369 15.793 0.463 531 HG2 GLU 81 HG2 GLU 81 -4.116 15.817 2.031 532 HG3 GLU 81 HG1 GLU 81 -4.034 17.355 1.179 533 H ASP 82 HN ASP 82 -3.740 13.164 -1.965 534 HA ASP 82 HA ASP 82 -6.024 13.323 -3.713 535 HB2 ASP 82 HB2 ASP 82 -3.246 12.403 -3.926 536 HB3 ASP 82 HB1 ASP 82 -4.393 11.407 -4.819 537 H THR 83 HN THR 83 -7.704 12.027 -3.667 538 HA THR 83 HA THR 83 -7.627 9.644 -2.006 539 HB THR 83 HB THR 83 -10.086 10.550 -3.450 540 HG1 THR 83 HG1 THR 83 -9.582 12.480 -2.602 541 HG21 THR 83 HG21 THR 83 -10.170 8.526 -2.075 542 HG22 THR 83 HG22 THR 83 -11.158 9.804 -1.367 543 HG23 THR 83 HG23 THR 83 -9.574 9.434 -0.686 544 H ILE 84 HN ILE 84 -7.685 7.622 -2.726 545 HA ILE 84 HA ILE 84 -8.014 7.169 -5.621 546 HB ILE 84 HB ILE 84 -6.471 5.489 -3.631 547 HG12 ILE 84 HG12 ILE 84 -5.475 7.293 -5.851 548 HG13 ILE 84 HG11 ILE 84 -5.384 7.652 -4.130 549 HG21 ILE 84 HG21 ILE 84 -7.383 4.100 -5.365 550 HG22 ILE 84 HG22 ILE 84 -5.656 4.315 -5.666 551 HG23 ILE 84 HG23 ILE 84 -6.836 5.225 -6.612 552 HD11 ILE 84 HD11 ILE 84 -3.950 5.651 -3.846 553 HD12 ILE 84 HD12 ILE 84 -3.248 6.890 -4.886 554 HD13 ILE 84 HD13 ILE 84 -3.964 5.445 -5.596 555 H ASP 85 HN ASP 85 -9.603 5.826 -6.264 556 HA ASP 85 HA ASP 85 -11.342 4.728 -4.191 557 HB2 ASP 85 HB2 ASP 85 -11.759 5.130 -7.157 558 HB3 ASP 85 HB1 ASP 85 -12.938 4.368 -6.095 559 H VAL 86 HN VAL 86 -11.750 2.597 -3.913 560 HA VAL 86 HA VAL 86 -10.245 0.720 -5.617 561 HB VAL 86 HB VAL 86 -10.986 0.278 -2.720 562 HG11 VAL 86 HG11 VAL 86 -10.684 -1.741 -4.120 563 HG12 VAL 86 HG12 VAL 86 -9.497 -1.607 -2.824 564 HG13 VAL 86 HG13 VAL 86 -9.042 -1.209 -4.480 565 HG21 VAL 86 HG21 VAL 86 -9.400 2.105 -2.842 566 HG22 VAL 86 HG22 VAL 86 -8.350 1.155 -3.893 567 HG23 VAL 86 HG23 VAL 86 -8.603 0.658 -2.219 568 H PHE 87 HN PHE 87 -11.473 -0.575 -6.794 569 HA PHE 87 HA PHE 87 -14.200 -1.184 -5.854 570 HB2 PHE 87 HB2 PHE 87 -13.152 -1.006 -8.686 571 HB3 PHE 87 HB1 PHE 87 -14.784 -1.500 -8.247 572 HD1 PHE 87 HD1 PHE 87 -16.235 0.176 -6.994 573 HD2 PHE 87 HD2 PHE 87 -12.630 1.245 -8.991 574 HE1 PHE 87 HE1 PHE 87 -16.959 2.528 -7.042 575 HE2 PHE 87 HE2 PHE 87 -13.348 3.597 -9.041 576 HZ PHE 87 HZ PHE 87 -15.514 4.238 -8.062 577 H GLN 88 HN GLN 88 -15.039 -3.309 -6.454 578 HA GLN 88 HA GLN 88 -12.936 -5.339 -6.306 579 HB2 GLN 88 HB2 GLN 88 -15.832 -5.238 -5.589 580 HB3 GLN 88 HB1 GLN 88 -15.123 -6.794 -5.991 581 HG2 GLN 88 HG2 GLN 88 -13.809 -5.040 -3.973 582 HG3 GLN 88 HG1 GLN 88 -15.214 -6.003 -3.524 583 HE21 GLN 88 HE21 GLN 88 -12.488 -6.200 -2.577 584 HE22 GLN 88 HE22 GLN 88 -11.948 -7.799 -2.953 585 H GLN 89 HN GLN 89 -12.702 -6.965 -7.799 586 HA GLN 89 HA GLN 89 -13.634 -6.418 -10.449 587 HB2 GLN 89 HB2 GLN 89 -11.411 -7.411 -9.939 588 HB3 GLN 89 HB1 GLN 89 -12.212 -8.865 -9.368 589 HG2 GLN 89 HG2 GLN 89 -11.306 -9.106 -11.627 590 HG3 GLN 89 HG1 GLN 89 -13.053 -9.323 -11.580 591 HE21 GLN 89 HE21 GLN 89 -13.137 -8.895 -13.802 592 HE22 GLN 89 HE22 GLN 89 -13.019 -7.280 -14.414 593 H GLN 90 HN GLN 90 -15.125 -7.551 -11.666 594 HA GLN 90 HA GLN 90 -17.402 -8.527 -10.380 595 HB2 GLN 90 HB2 GLN 90 -16.431 -8.711 -13.220 596 HB3 GLN 90 HB1 GLN 90 -17.946 -9.451 -12.725 597 HG2 GLN 90 HG2 GLN 90 -18.474 -7.340 -13.646 598 HG3 GLN 90 HG1 GLN 90 -18.671 -7.205 -11.900 599 HE21 GLN 90 HE21 GLN 90 -18.452 -4.977 -11.955 600 HE22 GLN 90 HE22 GLN 90 -16.922 -4.206 -12.217 601 H THR 91 HN THR 91 -18.246 -10.565 -10.077 602 HA THR 91 HA THR 91 -16.434 -12.839 -10.511 603 HB THR 91 HB THR 91 -18.100 -12.736 -8.027 604 HG1 THR 91 HG1 THR 91 -15.684 -11.353 -8.525 605 HG21 THR 91 HG21 THR 91 -16.301 -14.160 -7.163 606 HG22 THR 91 HG22 THR 91 -15.428 -13.985 -8.687 607 HG23 THR 91 HG23 THR 91 -16.981 -14.825 -8.651 608 H GLY 92 HN GLY 92 -17.860 -13.165 -12.361 609 HA2 GLY 92 HA2 GLY 92 -19.410 -14.694 -13.224 610 HA3 GLY 92 HA1 GLY 92 -20.121 -14.842 -11.624 611 H1 ASP 195 HN ASP 195 -13.794 5.036 15.655 612 HA ASP 195 HA ASP 195 -14.656 5.936 13.147 613 HB2 ASP 195 HB2 ASP 195 -13.744 8.084 14.425 614 HB3 ASP 195 HB1 ASP 195 -12.197 7.467 13.855 615 H THR 196 HN THR 196 -13.012 5.439 11.427 616 HA THR 196 HA THR 196 -11.029 3.527 12.464 617 HB THR 196 HB THR 196 -12.096 3.184 9.711 618 HG1 THR 196 HG1 THR 196 -13.839 3.390 11.489 619 HG21 THR 196 HG21 THR 196 -11.729 0.789 10.303 620 HG22 THR 196 HG22 THR 196 -11.137 1.314 11.878 621 HG23 THR 196 HG23 THR 196 -10.269 1.774 10.413 622 H ALA 197 HN ALA 197 -9.020 4.072 12.036 623 HA ALA 197 HA ALA 197 -8.468 5.665 9.633 624 HB1 ALA 197 HB1 ALA 197 -6.761 6.897 10.840 625 HB2 ALA 197 HB2 ALA 197 -7.117 5.984 12.305 626 HB3 ALA 197 HB3 ALA 197 -8.327 7.076 11.639 627 H GLY 198 HN GLY 198 -6.971 4.811 8.320 628 HA2 GLY 198 HA2 GLY 198 -5.209 2.721 9.445 629 HA3 GLY 198 HA1 GLY 198 -5.888 2.645 7.817 630 H CYS 199 HN CYS 199 -3.032 3.115 9.232 631 HA CYS 199 HA CYS 199 -2.291 5.159 7.242 632 HB2 CYS 199 HB2 CYS 199 -0.946 4.724 9.918 633 HB3 CYS 199 HB1 CYS 199 -0.551 5.967 8.741 634 HG CYS 199 HG CYS 199 -1.837 7.266 10.796 635 H ILE 200 HN ILE 200 -0.928 4.496 5.717 636 HA ILE 200 HA ILE 200 0.816 2.197 6.317 637 HB ILE 200 HB ILE 200 -0.481 2.737 3.644 638 HG12 ILE 200 HG12 ILE 200 -1.145 0.669 5.752 639 HG13 ILE 200 HG11 ILE 200 -2.166 2.012 5.243 640 HG21 ILE 200 HG21 ILE 200 0.534 0.068 4.056 641 HG22 ILE 200 HG22 ILE 200 1.806 1.270 4.284 642 HG23 ILE 200 HG23 ILE 200 0.896 1.226 2.774 643 HD11 ILE 200 HD11 ILE 200 -2.307 1.011 2.998 644 HD12 ILE 200 HD12 ILE 200 -2.956 -0.035 4.261 645 HD13 ILE 200 HD13 ILE 200 -1.364 -0.361 3.577 646 H VAL 201 HN VAL 201 2.926 2.513 5.927 647 HA VAL 201 HA VAL 201 3.674 4.735 4.141 648 HB VAL 201 HB VAL 201 4.275 5.458 6.330 649 HG11 VAL 201 HG11 VAL 201 4.101 3.284 7.461 650 HG12 VAL 201 HG12 VAL 201 5.583 4.136 7.895 651 HG13 VAL 201 HG13 VAL 201 5.639 2.800 6.746 652 HG21 VAL 201 HG21 VAL 201 5.988 5.858 4.646 653 HG22 VAL 201 HG22 VAL 201 6.729 4.300 5.014 654 HG23 VAL 201 HG23 VAL 201 6.720 5.581 6.227 655 H ILE 202 HN ILE 202 4.898 4.155 2.443 656 HA ILE 202 HA ILE 202 6.321 1.600 2.626 657 HB ILE 202 HB ILE 202 5.826 0.991 0.381 658 HG12 ILE 202 HG12 ILE 202 4.529 3.704 0.131 659 HG13 ILE 202 HG11 ILE 202 5.869 3.050 -0.810 660 HG21 ILE 202 HG21 ILE 202 4.130 0.414 2.025 661 HG22 ILE 202 HG22 ILE 202 3.399 0.694 0.448 662 HG23 ILE 202 HG23 ILE 202 3.281 1.923 1.704 663 HD11 ILE 202 HD11 ILE 202 4.482 2.263 -2.318 664 HD12 ILE 202 HD12 ILE 202 3.146 3.017 -1.447 665 HD13 ILE 202 HD13 ILE 202 3.598 1.349 -1.094 666 H SEP 203 HN SEP 203 8.383 1.616 2.035 667 HA SEP 203 HA SEP 203 9.444 4.071 0.812 668 HB2 SEP 203 HB1 SEP 203 11.615 3.397 1.995 669 HB3 SEP 203 HB2 SEP 203 10.633 2.291 2.946 670 H ASP 204 HN ASP 204 10.628 3.811 -1.017 671 HA ASP 204 HA ASP 204 11.303 1.039 -1.740 672 HB2 ASP 204 HB2 ASP 204 9.487 2.122 -3.140 673 HB3 ASP 204 HB1 ASP 204 10.707 3.262 -3.698 674 H SEP 205 HN SEP 205 13.388 0.666 -1.943 675 HA SEP 205 HA SEP 205 15.152 2.968 -2.428 676 HB2 SEP 205 HB1 SEP 205 15.560 2.330 -0.206 677 HB3 SEP 205 HB2 SEP 205 16.826 1.498 -1.103 678 H GLU 206 HN GLU 206 16.458 2.862 -4.118 679 HA GLU 206 HA GLU 206 16.437 0.455 -5.747 680 HB2 GLU 206 HB2 GLU 206 16.091 2.913 -6.554 681 HB3 GLU 206 HB1 GLU 206 17.847 3.001 -6.478 682 HG2 GLU 206 HG2 GLU 206 17.300 2.461 -8.699 683 HG3 GLU 206 HG1 GLU 206 17.908 0.981 -7.965 Start of MODEL 20 1 H1 ASP 16 HN ASP 16 10.549 15.438 -1.505 2 HA ASP 16 HA ASP 16 10.135 14.260 0.813 3 HB2 ASP 16 HB2 ASP 16 9.621 16.674 0.269 4 HB3 ASP 16 HB1 ASP 16 8.021 16.147 -0.243 5 H HIS 17 HN HIS 17 8.126 13.574 1.999 6 HA HIS 17 HA HIS 17 6.928 11.376 0.564 7 HB2 HIS 17 HB2 HIS 17 6.843 12.344 3.406 8 HB3 HIS 17 HB1 HIS 17 5.693 11.136 2.850 9 HD2 HIS 17 HD2 HIS 17 7.003 8.738 1.820 10 HE1 HIS 17 HE1 HIS 17 10.363 9.402 4.306 11 HE2 HIS 17 HE2 HIS 17 9.165 7.707 2.847 12 H ILE 18 HN ILE 18 4.997 11.362 -0.401 13 HA ILE 18 HA ILE 18 3.310 13.737 -0.123 14 HB ILE 18 HB ILE 18 3.837 13.181 -2.414 15 HG12 ILE 18 HG12 ILE 18 0.981 12.406 -1.780 16 HG13 ILE 18 HG11 ILE 18 1.584 14.052 -1.959 17 HG21 ILE 18 HG21 ILE 18 3.213 11.070 -3.450 18 HG22 ILE 18 HG22 ILE 18 2.616 10.474 -1.900 19 HG23 ILE 18 HG23 ILE 18 4.336 10.806 -2.114 20 HD11 ILE 18 HD11 ILE 18 2.145 13.580 -4.291 21 HD12 ILE 18 HD12 ILE 18 0.431 13.344 -3.958 22 HD13 ILE 18 HD13 ILE 18 1.502 11.949 -4.107 23 H ASN 19 HN ASN 19 1.244 13.657 0.624 24 HA ASN 19 HA ASN 19 0.527 11.214 2.075 25 HB2 ASN 19 HB2 ASN 19 -0.708 13.972 2.230 26 HB3 ASN 19 HB1 ASN 19 -1.070 12.612 3.285 27 HD21 ASN 19 HD21 ASN 19 0.934 15.285 2.715 28 HD22 ASN 19 HD22 ASN 19 2.045 15.021 4.021 29 H LEU 20 HN LEU 20 -0.684 9.815 0.992 30 HA LEU 20 HA LEU 20 -2.762 10.869 -0.810 31 HB2 LEU 20 HB2 LEU 20 -1.465 8.142 -0.758 32 HB3 LEU 20 HB1 LEU 20 -2.743 8.625 -1.856 33 HG LEU 20 HG LEU 20 0.029 9.819 -1.756 34 HD11 LEU 20 HD11 LEU 20 0.367 8.718 -3.888 35 HD12 LEU 20 HD12 LEU 20 -1.254 8.032 -3.813 36 HD13 LEU 20 HD13 LEU 20 -0.032 7.533 -2.645 37 HD21 LEU 20 HD21 LEU 20 -2.331 10.382 -3.540 38 HD22 LEU 20 HD22 LEU 20 -0.685 10.912 -3.879 39 HD23 LEU 20 HD23 LEU 20 -1.524 11.506 -2.447 40 H LYS 21 HN LYS 21 -4.837 9.874 -0.788 41 HA LYS 21 HA LYS 21 -5.481 8.630 1.813 42 HB2 LYS 21 HB2 LYS 21 -7.219 10.424 0.101 43 HB3 LYS 21 HB1 LYS 21 -7.708 9.670 1.611 44 HG2 LYS 21 HG2 LYS 21 -6.081 10.960 2.834 45 HG3 LYS 21 HG1 LYS 21 -5.464 11.658 1.335 46 HD2 LYS 21 HD2 LYS 21 -7.687 12.651 0.926 47 HD3 LYS 21 HD1 LYS 21 -8.233 12.010 2.477 48 HE2 LYS 21 HE2 LYS 21 -6.567 13.339 3.637 49 HE3 LYS 21 HE1 LYS 21 -5.944 13.940 2.103 50 HZ1 LYS 21 HZ1 LYS 21 -8.462 14.596 3.466 51 HZ2 LYS 21 HZ2 LYS 21 -8.371 14.740 1.784 52 HZ3 LYS 21 HZ3 LYS 21 -7.319 15.635 2.766 53 H VAL 22 HN VAL 22 -6.539 6.746 1.808 54 HA VAL 22 HA VAL 22 -7.272 5.603 -0.797 55 HB VAL 22 HB VAL 22 -6.984 4.171 1.846 56 HG11 VAL 22 HG11 VAL 22 -8.385 2.968 0.300 57 HG12 VAL 22 HG12 VAL 22 -6.826 2.155 0.418 58 HG13 VAL 22 HG13 VAL 22 -7.194 3.156 -0.984 59 HG21 VAL 22 HG21 VAL 22 -4.836 5.053 1.310 60 HG22 VAL 22 HG22 VAL 22 -4.991 4.562 -0.377 61 HG23 VAL 22 HG23 VAL 22 -4.826 3.341 0.885 62 H ALA 23 HN ALA 23 -9.356 5.420 -1.339 63 HA ALA 23 HA ALA 23 -11.387 5.961 0.682 64 HB1 ALA 23 HB1 ALA 23 -11.675 5.643 -2.302 65 HB2 ALA 23 HB2 ALA 23 -11.497 7.170 -1.438 66 HB3 ALA 23 HB3 ALA 23 -12.931 6.175 -1.184 67 H GLY 24 HN GLY 24 -12.268 4.359 1.768 68 HA2 GLY 24 HA2 GLY 24 -12.188 1.652 0.669 69 HA3 GLY 24 HA1 GLY 24 -12.564 2.087 2.331 70 H GLN 25 HN GLN 25 -14.052 0.281 0.708 71 HA GLN 25 HA GLN 25 -16.370 1.583 -0.332 72 HB2 GLN 25 HB2 GLN 25 -15.812 -1.295 0.371 73 HB3 GLN 25 HB1 GLN 25 -17.312 -0.751 -0.365 74 HG2 GLN 25 HG2 GLN 25 -14.608 -0.301 -1.586 75 HG3 GLN 25 HG1 GLN 25 -15.615 -1.704 -1.933 76 HE21 GLN 25 HE21 GLN 25 -14.655 0.502 -3.652 77 HE22 GLN 25 HE22 GLN 25 -16.085 1.174 -4.364 78 H ASP 26 HN ASP 26 -15.498 0.218 2.777 79 HA ASP 26 HA ASP 26 -18.207 0.471 3.784 80 HB2 ASP 26 HB2 ASP 26 -17.445 -0.584 5.763 81 HB3 ASP 26 HB1 ASP 26 -16.642 -1.410 4.434 82 H GLY 27 HN GLY 27 -15.450 2.438 3.534 83 HA2 GLY 27 HA2 GLY 27 -15.888 4.816 3.998 84 HA3 GLY 27 HA1 GLY 27 -16.614 4.299 5.510 85 H SER 28 HN SER 28 -14.147 2.274 5.403 86 HA SER 28 HA SER 28 -12.618 3.548 7.366 87 HB2 SER 28 HB2 SER 28 -10.832 1.826 6.666 88 HB3 SER 28 HB1 SER 28 -12.388 1.208 7.219 89 HG SER 28 HG SER 28 -12.978 0.804 5.113 90 H VAL 29 HN VAL 29 -11.016 5.033 7.316 91 HA VAL 29 HA VAL 29 -10.083 5.876 4.662 92 HB VAL 29 HB VAL 29 -11.247 7.651 5.839 93 HG11 VAL 29 HG11 VAL 29 -9.184 7.322 8.010 94 HG12 VAL 29 HG12 VAL 29 -10.890 6.895 8.128 95 HG13 VAL 29 HG13 VAL 29 -10.414 8.582 7.934 96 HG21 VAL 29 HG21 VAL 29 -9.558 9.387 5.717 97 HG22 VAL 29 HG22 VAL 29 -9.335 8.231 4.401 98 HG23 VAL 29 HG23 VAL 29 -8.278 8.177 5.812 99 H VAL 30 HN VAL 30 -8.067 5.513 4.117 100 HA VAL 30 HA VAL 30 -6.104 4.971 6.245 101 HB VAL 30 HB VAL 30 -6.285 3.669 3.523 102 HG11 VAL 30 HG11 VAL 30 -4.363 2.301 4.270 103 HG12 VAL 30 HG12 VAL 30 -4.224 3.328 5.698 104 HG13 VAL 30 HG13 VAL 30 -3.962 4.010 4.093 105 HG21 VAL 30 HG21 VAL 30 -6.538 1.587 4.904 106 HG22 VAL 30 HG22 VAL 30 -7.901 2.702 4.975 107 HG23 VAL 30 HG23 VAL 30 -6.751 2.628 6.309 108 H GLN 31 HN GLN 31 -4.377 6.215 6.261 109 HA GLN 31 HA GLN 31 -3.932 8.070 4.050 110 HB2 GLN 31 HB2 GLN 31 -4.009 8.889 6.431 111 HB3 GLN 31 HB1 GLN 31 -2.538 7.974 6.733 112 HG2 GLN 31 HG2 GLN 31 -1.434 9.311 4.927 113 HG3 GLN 31 HG1 GLN 31 -2.886 10.308 4.865 114 HE21 GLN 31 HE21 GLN 31 -0.142 11.033 5.546 115 HE22 GLN 31 HE22 GLN 31 -0.205 11.715 7.132 116 H PHE 32 HN PHE 32 -2.385 7.740 2.607 117 HA PHE 32 HA PHE 32 -0.469 5.574 3.122 118 HB2 PHE 32 HB2 PHE 32 -2.133 6.128 0.941 119 HB3 PHE 32 HB1 PHE 32 -0.502 6.516 0.396 120 HD1 PHE 32 HD1 PHE 32 -2.835 3.911 1.146 121 HD2 PHE 32 HD2 PHE 32 1.293 4.772 0.617 122 HE1 PHE 32 HE1 PHE 32 -2.385 1.519 0.807 123 HE2 PHE 32 HE2 PHE 32 1.751 2.384 0.273 124 HZ PHE 32 HZ PHE 32 -0.087 0.751 0.370 125 H LYS 33 HN LYS 33 1.533 6.056 3.518 126 HA LYS 33 HA LYS 33 2.576 8.697 2.765 127 HB2 LYS 33 HB2 LYS 33 2.706 8.076 5.164 128 HB3 LYS 33 HB1 LYS 33 3.666 6.667 4.733 129 HG2 LYS 33 HG2 LYS 33 5.493 8.000 4.054 130 HG3 LYS 33 HG1 LYS 33 4.521 9.476 4.092 131 HD2 LYS 33 HD2 LYS 33 4.257 9.173 6.538 132 HD3 LYS 33 HD1 LYS 33 5.341 7.785 6.454 133 HE2 LYS 33 HE2 LYS 33 7.115 9.236 5.578 134 HE3 LYS 33 HE1 LYS 33 6.028 10.620 5.681 135 HZ1 LYS 33 HZ1 LYS 33 7.386 10.658 7.585 136 HZ2 LYS 33 HZ2 LYS 33 7.135 9.019 7.912 137 HZ3 LYS 33 HZ3 LYS 33 5.872 10.126 8.113 138 H ILE 34 HN ILE 34 3.550 8.656 0.867 139 HA ILE 34 HA ILE 34 5.474 6.530 0.267 140 HB ILE 34 HB ILE 34 3.395 5.800 -0.774 141 HG12 ILE 34 HG12 ILE 34 5.300 6.965 -2.812 142 HG13 ILE 34 HG11 ILE 34 5.415 5.376 -2.063 143 HG21 ILE 34 HG21 ILE 34 2.228 7.912 -0.860 144 HG22 ILE 34 HG22 ILE 34 2.248 7.169 -2.460 145 HG23 ILE 34 HG23 ILE 34 3.338 8.507 -2.091 146 HD11 ILE 34 HD11 ILE 34 3.249 4.792 -3.123 147 HD12 ILE 34 HD12 ILE 34 4.549 5.121 -4.269 148 HD13 ILE 34 HD13 ILE 34 3.301 6.334 -3.975 149 H LYS 35 HN LYS 35 6.985 7.200 -1.483 150 HA LYS 35 HA LYS 35 7.364 10.094 -1.438 151 HB2 LYS 35 HB2 LYS 35 9.164 7.810 -2.225 152 HB3 LYS 35 HB1 LYS 35 9.571 9.483 -2.576 153 HG2 LYS 35 HG2 LYS 35 9.201 9.862 -0.051 154 HG3 LYS 35 HG1 LYS 35 9.357 8.109 0.069 155 HD2 LYS 35 HD2 LYS 35 11.543 8.214 -1.000 156 HD3 LYS 35 HD1 LYS 35 11.388 9.961 -1.173 157 HE2 LYS 35 HE2 LYS 35 12.506 10.042 0.773 158 HE3 LYS 35 HE1 LYS 35 10.947 9.643 1.493 159 HZ1 LYS 35 HZ1 LYS 35 12.823 7.541 0.618 160 HZ2 LYS 35 HZ2 LYS 35 11.538 7.409 1.717 161 HZ3 LYS 35 HZ3 LYS 35 12.952 8.245 2.146 162 H ARG 36 HN ARG 36 8.286 11.016 -3.556 163 HA ARG 36 HA ARG 36 6.257 10.800 -5.521 164 HB2 ARG 36 HB2 ARG 36 8.930 12.193 -5.544 165 HB3 ARG 36 HB1 ARG 36 7.741 12.350 -6.826 166 HG2 ARG 36 HG2 ARG 36 6.809 12.912 -4.079 167 HG3 ARG 36 HG1 ARG 36 7.938 14.066 -4.791 168 HD2 ARG 36 HD2 ARG 36 5.356 13.147 -6.050 169 HD3 ARG 36 HD1 ARG 36 5.581 14.672 -5.194 170 HE ARG 36 HE ARG 36 7.495 14.460 -7.248 171 HH11 ARG 36 HH11 ARG 36 4.059 14.953 -6.800 172 HH12 ARG 36 HH12 ARG 36 3.866 15.852 -8.270 173 HH21 ARG 36 HH21 ARG 36 7.240 15.637 -9.201 174 HH22 ARG 36 HH22 ARG 36 5.666 16.232 -9.641 175 H HIS 37 HN HIS 37 9.470 9.412 -5.245 176 HA HIS 37 HA HIS 37 9.398 8.457 -7.995 177 HB2 HIS 37 HB2 HIS 37 11.675 7.704 -7.629 178 HB3 HIS 37 HB1 HIS 37 11.503 9.368 -7.086 179 HD2 HIS 37 HD2 HIS 37 12.100 9.836 -4.464 180 HE1 HIS 37 HE1 HIS 37 12.873 5.797 -3.445 181 HE2 HIS 37 HE2 HIS 37 13.012 8.203 -2.658 182 H THR 38 HN THR 38 8.234 7.366 -5.089 183 HA THR 38 HA THR 38 8.899 4.590 -5.336 184 HB THR 38 HB THR 38 6.650 5.708 -3.683 185 HG1 THR 38 HG1 THR 38 9.454 5.839 -3.251 186 HG21 THR 38 HG21 THR 38 7.881 3.164 -3.956 187 HG22 THR 38 HG22 THR 38 6.575 3.640 -2.872 188 HG23 THR 38 HG23 THR 38 8.254 3.785 -2.351 189 HA PRO 39 HA PRO 39 5.808 3.692 -8.466 190 HB2 PRO 39 HB2 PRO 39 6.280 0.906 -7.564 191 HB3 PRO 39 HB1 PRO 39 6.421 1.607 -9.183 192 HG2 PRO 39 HG2 PRO 39 8.596 0.958 -7.803 193 HG3 PRO 39 HG1 PRO 39 8.549 2.416 -8.814 194 HD2 PRO 39 HD2 PRO 39 8.314 2.176 -5.843 195 HD3 PRO 39 HD1 PRO 39 9.172 3.390 -6.814 196 H LEU 40 HN LEU 40 3.654 3.208 -8.489 197 HA LEU 40 HA LEU 40 2.331 3.036 -5.946 198 HB2 LEU 40 HB2 LEU 40 1.198 2.998 -8.743 199 HB3 LEU 40 HB1 LEU 40 0.257 3.139 -7.271 200 HG LEU 40 HG LEU 40 2.351 5.150 -8.074 201 HD11 LEU 40 HD11 LEU 40 -0.612 5.171 -8.603 202 HD12 LEU 40 HD12 LEU 40 0.677 5.127 -9.806 203 HD13 LEU 40 HD13 LEU 40 0.458 6.558 -8.797 204 HD21 LEU 40 HD21 LEU 40 0.134 5.149 -6.038 205 HD22 LEU 40 HD22 LEU 40 1.042 6.584 -6.510 206 HD23 LEU 40 HD23 LEU 40 1.871 5.231 -5.741 207 H SER 41 HN SER 41 3.678 0.757 -7.929 208 HA SER 41 HA SER 41 1.840 -1.333 -7.993 209 HB2 SER 41 HB2 SER 41 4.664 -2.078 -7.550 210 HB3 SER 41 HB1 SER 41 3.575 -2.513 -8.870 211 HG SER 41 HG SER 41 4.089 -0.694 -9.932 212 H LYS 42 HN LYS 42 4.311 -0.540 -5.565 213 HA LYS 42 HA LYS 42 3.618 -2.685 -3.826 214 HB2 LYS 42 HB2 LYS 42 4.825 -0.792 -2.207 215 HB3 LYS 42 HB1 LYS 42 5.641 -2.088 -3.066 216 HG2 LYS 42 HG2 LYS 42 6.312 -0.673 -4.798 217 HG3 LYS 42 HG1 LYS 42 5.160 0.583 -4.340 218 HD2 LYS 42 HD2 LYS 42 7.462 1.174 -3.719 219 HD3 LYS 42 HD1 LYS 42 6.423 1.030 -2.300 220 HE2 LYS 42 HE2 LYS 42 8.517 -0.027 -1.815 221 HE3 LYS 42 HE1 LYS 42 7.294 -1.282 -1.987 222 HZ1 LYS 42 HZ1 LYS 42 9.256 -0.486 -4.075 223 HZ2 LYS 42 HZ2 LYS 42 8.087 -1.708 -4.226 224 HZ3 LYS 42 HZ3 LYS 42 9.342 -1.875 -3.109 225 H LEU 43 HN LEU 43 2.482 0.547 -4.285 226 HA LEU 43 HA LEU 43 1.190 0.958 -1.813 227 HB2 LEU 43 HB2 LEU 43 1.625 2.797 -3.314 228 HB3 LEU 43 HB1 LEU 43 0.661 2.056 -4.575 229 HG LEU 43 HG LEU 43 -0.850 2.566 -2.118 230 HD11 LEU 43 HD11 LEU 43 0.619 4.476 -1.952 231 HD12 LEU 43 HD12 LEU 43 -0.973 5.001 -2.500 232 HD13 LEU 43 HD13 LEU 43 0.356 4.867 -3.652 233 HD21 LEU 43 HD21 LEU 43 -1.248 3.400 -4.992 234 HD22 LEU 43 HD22 LEU 43 -2.456 3.454 -3.708 235 HD23 LEU 43 HD23 LEU 43 -1.841 1.901 -4.275 236 H MET 44 HN MET 44 0.033 -0.382 -4.881 237 HA MET 44 HA MET 44 -2.617 -0.837 -3.970 238 HB2 MET 44 HB2 MET 44 -1.061 -2.102 -6.230 239 HB3 MET 44 HB1 MET 44 -2.785 -2.327 -5.966 240 HG2 MET 44 HG2 MET 44 -3.110 0.102 -6.238 241 HG3 MET 44 HG1 MET 44 -1.391 0.264 -6.592 242 HE1 MET 44 HE1 MET 44 -1.051 -1.728 -9.943 243 HE2 MET 44 HE2 MET 44 -0.816 -2.357 -8.314 244 HE3 MET 44 HE3 MET 44 -0.218 -0.754 -8.732 245 H LYS 45 HN LYS 45 0.280 -2.829 -4.127 246 HA LYS 45 HA LYS 45 -0.949 -5.243 -3.305 247 HB2 LYS 45 HB2 LYS 45 1.909 -4.311 -3.379 248 HB3 LYS 45 HB1 LYS 45 1.466 -5.900 -2.776 249 HG2 LYS 45 HG2 LYS 45 0.479 -6.473 -4.909 250 HG3 LYS 45 HG1 LYS 45 0.832 -4.859 -5.523 251 HD2 LYS 45 HD2 LYS 45 3.182 -5.253 -5.416 252 HD3 LYS 45 HD1 LYS 45 2.944 -6.763 -4.538 253 HE2 LYS 45 HE2 LYS 45 1.832 -7.729 -6.483 254 HE3 LYS 45 HE1 LYS 45 2.037 -6.215 -7.358 255 HZ1 LYS 45 HZ1 LYS 45 3.702 -7.966 -7.875 256 HZ2 LYS 45 HZ2 LYS 45 4.300 -7.801 -6.301 257 HZ3 LYS 45 HZ3 LYS 45 4.370 -6.495 -7.373 258 H ALA 46 HN ALA 46 0.916 -2.807 -1.489 259 HA ALA 46 HA ALA 46 1.009 -4.081 0.966 260 HB1 ALA 46 HB1 ALA 46 2.268 -2.069 0.565 261 HB2 ALA 46 HB2 ALA 46 1.214 -1.821 1.959 262 HB3 ALA 46 HB3 ALA 46 0.783 -1.132 0.395 263 H TYR 47 HN TYR 47 -1.514 -1.881 -0.243 264 HA TYR 47 HA TYR 47 -3.117 -2.050 2.092 265 HB2 TYR 47 HB2 TYR 47 -3.300 -0.200 0.492 266 HB3 TYR 47 HB1 TYR 47 -3.884 -1.308 -0.741 267 HD1 TYR 47 HD1 TYR 47 -6.183 -1.902 -0.850 268 HD2 TYR 47 HD2 TYR 47 -4.714 0.257 2.507 269 HE1 TYR 47 HE1 TYR 47 -8.494 -1.486 -0.114 270 HE2 TYR 47 HE2 TYR 47 -7.017 0.676 3.255 271 HH TYR 47 HH TYR 47 -9.278 0.793 2.282 272 H CYS 48 HN CYS 48 -3.085 -3.792 -0.970 273 HA CYS 48 HA CYS 48 -5.466 -5.244 -0.598 274 HB2 CYS 48 HB2 CYS 48 -4.230 -4.977 -2.764 275 HB3 CYS 48 HB1 CYS 48 -3.042 -6.131 -2.169 276 HG CYS 48 HG CYS 48 -4.685 -8.302 -2.145 277 H GLU 49 HN GLU 49 -2.101 -6.022 0.213 278 HA GLU 49 HA GLU 49 -2.556 -8.657 1.089 279 HB2 GLU 49 HB2 GLU 49 -0.420 -6.639 1.736 280 HB3 GLU 49 HB1 GLU 49 -0.430 -8.238 2.467 281 HG2 GLU 49 HG2 GLU 49 -0.209 -7.573 -0.457 282 HG3 GLU 49 HG1 GLU 49 1.039 -8.256 0.585 283 H ARG 50 HN ARG 50 -2.776 -5.566 2.749 284 HA ARG 50 HA ARG 50 -3.081 -6.653 5.352 285 HB2 ARG 50 HB2 ARG 50 -3.843 -3.955 4.226 286 HB3 ARG 50 HB1 ARG 50 -3.922 -4.373 5.933 287 HG2 ARG 50 HG2 ARG 50 -1.455 -4.961 5.739 288 HG3 ARG 50 HG1 ARG 50 -1.495 -4.123 4.188 289 HD2 ARG 50 HD2 ARG 50 -2.314 -2.102 5.334 290 HD3 ARG 50 HD1 ARG 50 -2.205 -2.953 6.875 291 HE ARG 50 HE ARG 50 0.264 -2.950 5.408 292 HH11 ARG 50 HH11 ARG 50 -0.402 -0.225 8.289 293 HH12 ARG 50 HH12 ARG 50 -1.734 -1.126 7.634 294 HH21 ARG 50 HH21 ARG 50 2.011 -1.769 6.255 295 HH22 ARG 50 HH22 ARG 50 1.735 -0.596 7.504 296 H GLN 51 HN GLN 51 -5.246 -6.224 2.701 297 HA GLN 51 HA GLN 51 -7.618 -6.470 4.341 298 HB2 GLN 51 HB2 GLN 51 -7.306 -6.521 1.330 299 HB3 GLN 51 HB1 GLN 51 -8.835 -6.466 2.194 300 HG2 GLN 51 HG2 GLN 51 -6.768 -4.335 1.863 301 HG3 GLN 51 HG1 GLN 51 -8.503 -4.269 1.557 302 HE21 GLN 51 HE21 GLN 51 -9.924 -4.190 3.375 303 HE22 GLN 51 HE22 GLN 51 -9.384 -3.509 4.871 304 H GLY 52 HN GLY 52 -5.327 -8.494 2.917 305 HA2 GLY 52 HA2 GLY 52 -5.117 -10.789 3.051 306 HA3 GLY 52 HA1 GLY 52 -6.699 -10.851 3.813 307 H LEU 53 HN LEU 53 -6.012 -9.386 0.688 308 HA LEU 53 HA LEU 53 -7.440 -11.599 -0.627 309 HB2 LEU 53 HB2 LEU 53 -7.855 -8.663 -1.210 310 HB3 LEU 53 HB1 LEU 53 -8.646 -10.002 -2.019 311 HG LEU 53 HG LEU 53 -8.982 -9.438 0.924 312 HD11 LEU 53 HD11 LEU 53 -9.759 -7.525 -0.396 313 HD12 LEU 53 HD12 LEU 53 -11.092 -8.389 0.373 314 HD13 LEU 53 HD13 LEU 53 -10.776 -8.608 -1.347 315 HD21 LEU 53 HD21 LEU 53 -9.486 -11.721 0.215 316 HD22 LEU 53 HD22 LEU 53 -10.584 -11.099 -1.019 317 HD23 LEU 53 HD23 LEU 53 -10.949 -10.859 0.690 318 H SER 54 HN SER 54 -7.251 -11.344 -3.081 319 HA SER 54 HA SER 54 -4.432 -11.019 -3.717 320 HB2 SER 54 HB2 SER 54 -5.428 -13.060 -4.521 321 HB3 SER 54 HB1 SER 54 -6.770 -12.182 -5.250 322 HG SER 54 HG SER 54 -4.268 -12.680 -6.227 323 H MET 55 HN MET 55 -3.654 -9.579 -5.260 324 HA MET 55 HA MET 55 -5.003 -7.115 -5.487 325 HB2 MET 55 HB2 MET 55 -2.476 -7.584 -5.629 326 HB3 MET 55 HB1 MET 55 -2.770 -7.975 -7.319 327 HG2 MET 55 HG2 MET 55 -3.698 -5.726 -7.657 328 HG3 MET 55 HG1 MET 55 -3.337 -5.342 -5.976 329 HE1 MET 55 HE1 MET 55 -1.144 -7.375 -8.636 330 HE2 MET 55 HE2 MET 55 -0.227 -6.028 -9.306 331 HE3 MET 55 HE3 MET 55 -1.978 -6.091 -9.507 332 H ARG 56 HN ARG 56 -5.314 -9.983 -7.269 333 HA ARG 56 HA ARG 56 -6.209 -8.751 -9.722 334 HB2 ARG 56 HB2 ARG 56 -5.061 -10.910 -9.769 335 HB3 ARG 56 HB1 ARG 56 -6.314 -11.618 -8.762 336 HG2 ARG 56 HG2 ARG 56 -7.947 -11.244 -10.546 337 HG3 ARG 56 HG1 ARG 56 -6.673 -10.559 -11.557 338 HD2 ARG 56 HD2 ARG 56 -5.528 -12.638 -11.664 339 HD3 ARG 56 HD1 ARG 56 -6.535 -13.330 -10.399 340 HE ARG 56 HE ARG 56 -8.379 -13.342 -11.961 341 HH11 ARG 56 HH11 ARG 56 -5.205 -12.814 -13.329 342 HH12 ARG 56 HH12 ARG 56 -5.662 -13.340 -14.918 343 HH21 ARG 56 HH21 ARG 56 -8.988 -14.063 -14.034 344 HH22 ARG 56 HH22 ARG 56 -7.829 -14.047 -15.324 345 H GLN 57 HN GLN 57 -7.581 -9.483 -6.698 346 HA GLN 57 HA GLN 57 -10.267 -9.908 -7.680 347 HB2 GLN 57 HB2 GLN 57 -9.465 -11.036 -5.641 348 HB3 GLN 57 HB1 GLN 57 -9.281 -9.472 -4.858 349 HG2 GLN 57 HG2 GLN 57 -11.696 -9.086 -5.103 350 HG3 GLN 57 HG1 GLN 57 -11.862 -10.686 -5.824 351 HE21 GLN 57 HE21 GLN 57 -13.053 -9.571 -3.398 352 HE22 GLN 57 HE22 GLN 57 -12.574 -10.621 -2.105 353 H ILE 58 HN ILE 58 -8.398 -7.247 -6.331 354 HA ILE 58 HA ILE 58 -10.807 -5.573 -6.496 355 HB ILE 58 HB ILE 58 -9.451 -3.916 -5.144 356 HG12 ILE 58 HG12 ILE 58 -7.729 -6.360 -4.677 357 HG13 ILE 58 HG11 ILE 58 -7.236 -4.911 -5.553 358 HG21 ILE 58 HG21 ILE 58 -10.187 -6.570 -3.924 359 HG22 ILE 58 HG22 ILE 58 -11.249 -5.183 -4.163 360 HG23 ILE 58 HG23 ILE 58 -9.910 -5.081 -3.019 361 HD11 ILE 58 HD11 ILE 58 -8.007 -5.015 -2.645 362 HD12 ILE 58 HD12 ILE 58 -7.448 -3.595 -3.531 363 HD13 ILE 58 HD13 ILE 58 -6.361 -4.959 -3.276 364 H ARG 59 HN ARG 59 -10.344 -3.247 -7.064 365 HA ARG 59 HA ARG 59 -8.293 -3.019 -9.161 366 HB2 ARG 59 HB2 ARG 59 -11.199 -2.206 -9.370 367 HB3 ARG 59 HB1 ARG 59 -9.956 -1.695 -10.500 368 HG2 ARG 59 HG2 ARG 59 -10.720 -4.557 -9.973 369 HG3 ARG 59 HG1 ARG 59 -11.299 -3.585 -11.328 370 HD2 ARG 59 HD2 ARG 59 -8.975 -3.290 -12.083 371 HD3 ARG 59 HD1 ARG 59 -8.425 -4.312 -10.757 372 HE ARG 59 HE ARG 59 -9.660 -5.160 -13.221 373 HH11 ARG 59 HH11 ARG 59 -8.891 -6.035 -9.921 374 HH12 ARG 59 HH12 ARG 59 -8.983 -7.745 -10.216 375 HH21 ARG 59 HH21 ARG 59 -9.784 -7.417 -13.612 376 HH22 ARG 59 HH22 ARG 59 -9.490 -8.530 -12.312 377 H PHE 60 HN PHE 60 -7.537 -0.884 -9.518 378 HA PHE 60 HA PHE 60 -8.262 1.044 -7.412 379 HB2 PHE 60 HB2 PHE 60 -5.498 0.343 -8.422 380 HB3 PHE 60 HB1 PHE 60 -5.845 1.762 -7.445 381 HD1 PHE 60 HD1 PHE 60 -5.715 -1.910 -7.464 382 HD2 PHE 60 HD2 PHE 60 -6.224 1.593 -5.100 383 HE1 PHE 60 HE1 PHE 60 -5.441 -3.250 -5.421 384 HE2 PHE 60 HE2 PHE 60 -5.951 0.252 -3.056 385 HZ PHE 60 HZ PHE 60 -5.554 -2.170 -3.215 386 H ARG 61 HN ARG 61 -8.826 2.990 -8.158 387 HA ARG 61 HA ARG 61 -7.954 3.713 -10.876 388 HB2 ARG 61 HB2 ARG 61 -10.699 3.960 -9.669 389 HB3 ARG 61 HB1 ARG 61 -10.198 4.937 -11.042 390 HG2 ARG 61 HG2 ARG 61 -9.602 2.704 -12.157 391 HG3 ARG 61 HG1 ARG 61 -10.580 1.970 -10.885 392 HD2 ARG 61 HD2 ARG 61 -12.508 3.256 -11.577 393 HD3 ARG 61 HD1 ARG 61 -11.544 4.125 -12.770 394 HE ARG 61 HE ARG 61 -11.621 1.238 -13.073 395 HH11 ARG 61 HH11 ARG 61 -13.721 3.684 -15.470 396 HH12 ARG 61 HH12 ARG 61 -13.026 4.310 -14.009 397 HH21 ARG 61 HH21 ARG 61 -12.516 0.431 -15.010 398 HH22 ARG 61 HH22 ARG 61 -13.430 1.490 -16.039 399 H PHE 62 HN PHE 62 -7.485 5.802 -11.285 400 HA PHE 62 HA PHE 62 -7.625 7.733 -9.076 401 HB2 PHE 62 HB2 PHE 62 -5.333 7.019 -9.050 402 HB3 PHE 62 HB1 PHE 62 -5.228 7.082 -10.805 403 HD1 PHE 62 HD1 PHE 62 -5.881 9.305 -7.880 404 HD2 PHE 62 HD2 PHE 62 -4.258 8.921 -11.797 405 HE1 PHE 62 HE1 PHE 62 -5.025 11.607 -7.748 406 HE2 PHE 62 HE2 PHE 62 -3.398 11.221 -11.670 407 HZ PHE 62 HZ PHE 62 -3.784 12.566 -9.642 408 H ASP 63 HN ASP 63 -8.619 9.530 -9.714 409 HA ASP 63 HA ASP 63 -9.547 11.153 -10.995 410 HB2 ASP 63 HB2 ASP 63 -7.106 11.359 -11.757 411 HB3 ASP 63 HB1 ASP 63 -7.596 10.466 -13.194 412 H GLY 64 HN GLY 64 -10.216 8.221 -11.249 413 HA2 GLY 64 HA2 GLY 64 -12.183 7.358 -12.222 414 HA3 GLY 64 HA1 GLY 64 -12.045 8.551 -13.503 415 H GLN 65 HN GLN 65 -9.023 7.507 -13.409 416 HA GLN 65 HA GLN 65 -9.552 5.371 -15.368 417 HB2 GLN 65 HB2 GLN 65 -6.922 6.796 -15.179 418 HB3 GLN 65 HB1 GLN 65 -7.663 6.022 -16.572 419 HG2 GLN 65 HG2 GLN 65 -8.633 8.575 -15.319 420 HG3 GLN 65 HG1 GLN 65 -7.568 8.481 -16.720 421 HE21 GLN 65 HE21 GLN 65 -10.270 9.584 -16.380 422 HE22 GLN 65 HE22 GLN 65 -11.237 8.818 -17.590 423 HA PRO 66 HA PRO 66 -7.673 2.366 -12.682 424 HB2 PRO 66 HB2 PRO 66 -6.518 1.185 -15.145 425 HB3 PRO 66 HB1 PRO 66 -7.579 0.450 -13.935 426 HG2 PRO 66 HG2 PRO 66 -8.510 1.104 -16.337 427 HG3 PRO 66 HG1 PRO 66 -9.498 1.296 -14.875 428 HD2 PRO 66 HD2 PRO 66 -8.059 3.371 -16.466 429 HD3 PRO 66 HD1 PRO 66 -9.636 3.451 -15.660 430 H ILE 67 HN ILE 67 -5.767 2.133 -11.642 431 HA ILE 67 HA ILE 67 -3.561 3.795 -12.490 432 HB ILE 67 HB ILE 67 -3.898 2.023 -10.063 433 HG12 ILE 67 HG12 ILE 67 -4.004 5.034 -10.381 434 HG13 ILE 67 HG11 ILE 67 -5.397 3.981 -10.158 435 HG21 ILE 67 HG21 ILE 67 -1.918 3.160 -9.165 436 HG22 ILE 67 HG22 ILE 67 -1.703 3.993 -10.704 437 HG23 ILE 67 HG23 ILE 67 -1.539 2.240 -10.620 438 HD11 ILE 67 HD11 ILE 67 -4.591 3.360 -7.957 439 HD12 ILE 67 HD12 ILE 67 -4.761 5.111 -8.095 440 HD13 ILE 67 HD13 ILE 67 -3.162 4.370 -8.182 441 H ASN 68 HN ASN 68 -1.830 3.164 -13.560 442 HA ASN 68 HA ASN 68 -1.536 0.490 -14.495 443 HB2 ASN 68 HB2 ASN 68 -0.865 2.382 -15.878 444 HB3 ASN 68 HB1 ASN 68 0.320 2.877 -14.673 445 HD21 ASN 68 HD21 ASN 68 2.104 2.715 -15.916 446 HD22 ASN 68 HD22 ASN 68 2.689 1.216 -16.572 447 H GLU 69 HN GLU 69 0.137 -0.980 -14.069 448 HA GLU 69 HA GLU 69 0.943 -1.054 -11.312 449 HB2 GLU 69 HB2 GLU 69 1.417 -2.934 -13.623 450 HB3 GLU 69 HB1 GLU 69 1.952 -3.256 -11.978 451 HG2 GLU 69 HG2 GLU 69 -0.225 -3.472 -11.181 452 HG3 GLU 69 HG1 GLU 69 -0.915 -2.648 -12.576 453 H THR 70 HN THR 70 2.333 0.296 -14.060 454 HA THR 70 HA THR 70 4.997 0.217 -12.789 455 HB THR 70 HB THR 70 5.431 0.948 -15.436 456 HG1 THR 70 HG1 THR 70 4.179 -0.277 -16.686 457 HG21 THR 70 HG21 THR 70 5.656 -1.796 -14.190 458 HG22 THR 70 HG22 THR 70 6.850 -0.506 -14.053 459 HG23 THR 70 HG23 THR 70 6.516 -1.233 -15.625 460 H ASP 71 HN ASP 71 2.763 2.103 -12.404 461 HA ASP 71 HA ASP 71 3.904 4.573 -13.519 462 HB2 ASP 71 HB2 ASP 71 1.172 3.711 -12.812 463 HB3 ASP 71 HB1 ASP 71 1.570 5.368 -12.369 464 H THR 72 HN THR 72 3.969 6.464 -12.142 465 HA THR 72 HA THR 72 4.353 5.841 -9.289 466 HB THR 72 HB THR 72 6.111 7.831 -9.565 467 HG1 THR 72 HG1 THR 72 6.335 6.467 -12.060 468 HG21 THR 72 HG21 THR 72 6.658 4.939 -10.244 469 HG22 THR 72 HG22 THR 72 6.680 5.669 -8.638 470 HG23 THR 72 HG23 THR 72 7.894 6.126 -9.832 471 HA PRO 73 HA PRO 73 1.737 9.275 -8.305 472 HB2 PRO 73 HB2 PRO 73 3.861 10.415 -6.574 473 HB3 PRO 73 HB1 PRO 73 2.217 9.917 -6.158 474 HG2 PRO 73 HG2 PRO 73 4.314 8.463 -5.408 475 HG3 PRO 73 HG1 PRO 73 2.782 7.707 -5.897 476 HD2 PRO 73 HD2 PRO 73 5.338 7.955 -7.416 477 HD3 PRO 73 HD1 PRO 73 4.173 6.617 -7.369 478 H ALA 74 HN ALA 74 5.141 10.208 -8.716 479 HA ALA 74 HA ALA 74 4.636 12.893 -9.451 480 HB1 ALA 74 HB1 ALA 74 6.962 12.919 -10.206 481 HB2 ALA 74 HB2 ALA 74 7.033 11.164 -10.056 482 HB3 ALA 74 HB3 ALA 74 6.804 12.163 -8.621 483 H GLN 75 HN GLN 75 4.654 9.916 -11.232 484 HA GLN 75 HA GLN 75 4.841 11.130 -13.824 485 HB2 GLN 75 HB2 GLN 75 5.366 8.661 -12.987 486 HB3 GLN 75 HB1 GLN 75 3.692 8.406 -13.451 487 HG2 GLN 75 HG2 GLN 75 5.200 7.805 -15.254 488 HG3 GLN 75 HG1 GLN 75 4.184 9.172 -15.708 489 HE21 GLN 75 HE21 GLN 75 5.652 9.785 -17.306 490 HE22 GLN 75 HE22 GLN 75 7.142 10.570 -16.918 491 H LEU 76 HN LEU 76 2.291 10.188 -11.643 492 HA LEU 76 HA LEU 76 0.234 10.635 -13.653 493 HB2 LEU 76 HB2 LEU 76 0.265 9.558 -10.865 494 HB3 LEU 76 HB1 LEU 76 -1.240 10.153 -11.537 495 HG LEU 76 HG LEU 76 0.442 7.944 -12.722 496 HD11 LEU 76 HD11 LEU 76 -0.597 7.255 -10.644 497 HD12 LEU 76 HD12 LEU 76 -1.401 6.489 -12.015 498 HD13 LEU 76 HD13 LEU 76 -2.158 7.859 -11.202 499 HD21 LEU 76 HD21 LEU 76 -2.221 9.104 -13.520 500 HD22 LEU 76 HD22 LEU 76 -1.576 7.584 -14.132 501 HD23 LEU 76 HD23 LEU 76 -0.731 9.093 -14.462 502 H GLU 77 HN GLU 77 2.049 12.587 -11.809 503 HA GLU 77 HA GLU 77 1.901 14.728 -11.074 504 HB2 GLU 77 HB2 GLU 77 -0.645 14.811 -12.702 505 HB3 GLU 77 HB1 GLU 77 0.277 16.198 -12.144 506 HG2 GLU 77 HG2 GLU 77 1.411 14.124 -13.996 507 HG3 GLU 77 HG1 GLU 77 0.570 15.566 -14.561 508 H MET 78 HN MET 78 0.833 12.687 -9.423 509 HA MET 78 HA MET 78 -1.681 13.459 -8.325 510 HB2 MET 78 HB2 MET 78 0.503 11.759 -7.102 511 HB3 MET 78 HB1 MET 78 -1.154 11.877 -6.524 512 HG2 MET 78 HG2 MET 78 -1.942 10.935 -8.650 513 HG3 MET 78 HG1 MET 78 -0.271 10.781 -9.187 514 HE1 MET 78 HE1 MET 78 -3.106 9.610 -7.019 515 HE2 MET 78 HE2 MET 78 -2.058 9.848 -5.621 516 HE3 MET 78 HE3 MET 78 -2.498 8.217 -6.125 517 H GLU 79 HN GLU 79 -2.132 14.537 -6.413 518 HA GLU 79 HA GLU 79 0.071 16.242 -5.442 519 HB2 GLU 79 HB2 GLU 79 -2.886 16.806 -5.674 520 HB3 GLU 79 HB1 GLU 79 -1.763 17.846 -4.807 521 HG2 GLU 79 HG2 GLU 79 -1.453 17.129 -7.709 522 HG3 GLU 79 HG1 GLU 79 -2.326 18.552 -7.143 523 H ASP 80 HN ASP 80 -0.606 17.195 -3.180 524 HA ASP 80 HA ASP 80 -0.695 14.953 -1.414 525 HB2 ASP 80 HB2 ASP 80 0.209 17.577 -1.214 526 HB3 ASP 80 HB1 ASP 80 -1.180 17.527 -0.131 527 H GLU 81 HN GLU 81 -2.311 14.254 -0.136 528 HA GLU 81 HA GLU 81 -4.377 13.959 0.740 529 HB2 GLU 81 HB2 GLU 81 -4.885 16.733 -0.331 530 HB3 GLU 81 HB1 GLU 81 -6.123 15.784 0.480 531 HG2 GLU 81 HG2 GLU 81 -4.467 15.606 2.413 532 HG3 GLU 81 HG1 GLU 81 -3.579 16.900 1.608 533 H ASP 82 HN ASP 82 -3.509 13.718 -2.285 534 HA ASP 82 HA ASP 82 -5.915 13.649 -3.768 535 HB2 ASP 82 HB2 ASP 82 -3.200 13.154 -4.306 536 HB3 ASP 82 HB1 ASP 82 -4.030 11.646 -4.678 537 H THR 83 HN THR 83 -7.370 11.994 -4.142 538 HA THR 83 HA THR 83 -7.212 9.807 -2.186 539 HB THR 83 HB THR 83 -9.720 10.659 -3.611 540 HG1 THR 83 HG1 THR 83 -8.263 12.133 -1.917 541 HG21 THR 83 HG21 THR 83 -9.776 8.527 -2.394 542 HG22 THR 83 HG22 THR 83 -10.796 9.734 -1.608 543 HG23 THR 83 HG23 THR 83 -9.214 9.342 -0.934 544 H ILE 84 HN ILE 84 -7.276 7.742 -2.767 545 HA ILE 84 HA ILE 84 -7.436 7.102 -5.639 546 HB ILE 84 HB ILE 84 -6.160 5.482 -3.423 547 HG12 ILE 84 HG12 ILE 84 -4.791 7.071 -5.601 548 HG13 ILE 84 HG11 ILE 84 -5.011 7.659 -3.955 549 HG21 ILE 84 HG21 ILE 84 -6.084 5.138 -6.418 550 HG22 ILE 84 HG22 ILE 84 -6.968 4.122 -5.282 551 HG23 ILE 84 HG23 ILE 84 -5.205 4.155 -5.247 552 HD11 ILE 84 HD11 ILE 84 -3.667 5.807 -3.114 553 HD12 ILE 84 HD12 ILE 84 -2.778 6.769 -4.295 554 HD13 ILE 84 HD13 ILE 84 -3.458 5.208 -4.760 555 H ASP 85 HN ASP 85 -8.988 5.729 -6.336 556 HA ASP 85 HA ASP 85 -10.957 4.844 -4.370 557 HB2 ASP 85 HB2 ASP 85 -10.991 5.212 -7.348 558 HB3 ASP 85 HB1 ASP 85 -12.227 4.244 -6.554 559 H VAL 86 HN VAL 86 -11.432 2.780 -3.931 560 HA VAL 86 HA VAL 86 -9.926 0.683 -5.358 561 HB VAL 86 HB VAL 86 -10.873 0.518 -2.492 562 HG11 VAL 86 HG11 VAL 86 -10.553 -1.621 -3.593 563 HG12 VAL 86 HG12 VAL 86 -9.319 -1.364 -2.361 564 HG13 VAL 86 HG13 VAL 86 -8.921 -1.154 -4.066 565 HG21 VAL 86 HG21 VAL 86 -8.128 1.243 -3.510 566 HG22 VAL 86 HG22 VAL 86 -8.536 0.895 -1.828 567 HG23 VAL 86 HG23 VAL 86 -9.234 2.303 -2.634 568 H PHE 87 HN PHE 87 -11.190 -0.605 -6.514 569 HA PHE 87 HA PHE 87 -13.983 -0.998 -5.639 570 HB2 PHE 87 HB2 PHE 87 -12.876 -1.014 -8.457 571 HB3 PHE 87 HB1 PHE 87 -14.544 -1.365 -8.022 572 HD1 PHE 87 HD1 PHE 87 -15.816 0.489 -6.749 573 HD2 PHE 87 HD2 PHE 87 -12.252 1.143 -8.977 574 HE1 PHE 87 HE1 PHE 87 -16.368 2.883 -6.921 575 HE2 PHE 87 HE2 PHE 87 -12.794 3.536 -9.153 576 HZ PHE 87 HZ PHE 87 -14.856 4.410 -8.122 577 H GLN 88 HN GLN 88 -14.900 -3.108 -6.655 578 HA GLN 88 HA GLN 88 -12.877 -5.223 -6.327 579 HB2 GLN 88 HB2 GLN 88 -15.748 -5.114 -5.431 580 HB3 GLN 88 HB1 GLN 88 -14.886 -6.637 -5.595 581 HG2 GLN 88 HG2 GLN 88 -13.332 -4.757 -4.083 582 HG3 GLN 88 HG1 GLN 88 -14.939 -4.947 -3.388 583 HE21 GLN 88 HE21 GLN 88 -14.070 -5.974 -1.575 584 HE22 GLN 88 HE22 GLN 88 -13.518 -7.613 -1.634 585 H GLN 89 HN GLN 89 -12.959 -6.994 -7.678 586 HA GLN 89 HA GLN 89 -14.140 -6.513 -10.262 587 HB2 GLN 89 HB2 GLN 89 -11.890 -7.463 -10.091 588 HB3 GLN 89 HB1 GLN 89 -12.519 -8.843 -9.203 589 HG2 GLN 89 HG2 GLN 89 -12.065 -9.436 -11.506 590 HG3 GLN 89 HG1 GLN 89 -13.792 -9.534 -11.169 591 HE21 GLN 89 HE21 GLN 89 -14.330 -9.342 -13.328 592 HE22 GLN 89 HE22 GLN 89 -14.189 -7.847 -14.189 593 H GLN 90 HN GLN 90 -15.832 -7.536 -11.177 594 HA GLN 90 HA GLN 90 -17.813 -8.671 -9.521 595 HB2 GLN 90 HB2 GLN 90 -17.524 -8.619 -12.526 596 HB3 GLN 90 HB1 GLN 90 -18.951 -9.219 -11.695 597 HG2 GLN 90 HG2 GLN 90 -19.458 -7.022 -12.350 598 HG3 GLN 90 HG1 GLN 90 -19.133 -6.946 -10.621 599 HE21 GLN 90 HE21 GLN 90 -18.667 -4.763 -10.717 600 HE22 GLN 90 HE22 GLN 90 -17.208 -4.153 -11.415 601 H THR 91 HN THR 91 -18.243 -10.728 -8.978 602 HA THR 91 HA THR 91 -16.317 -12.762 -9.496 603 HB THR 91 HB THR 91 -19.018 -13.450 -8.429 604 HG1 THR 91 HG1 THR 91 -17.100 -11.797 -7.110 605 HG21 THR 91 HG21 THR 91 -17.631 -14.713 -6.799 606 HG22 THR 91 HG22 THR 91 -16.187 -14.132 -7.628 607 HG23 THR 91 HG23 THR 91 -17.329 -15.175 -8.473 608 H GLY 92 HN GLY 92 -19.322 -11.808 -10.938 609 HA2 GLY 92 HA2 GLY 92 -18.935 -13.736 -13.073 610 HA3 GLY 92 HA1 GLY 92 -20.413 -13.932 -12.142 611 H1 ASP 195 HN ASP 195 -13.573 5.993 15.388 612 HA ASP 195 HA ASP 195 -15.032 5.116 13.284 613 HB2 ASP 195 HB2 ASP 195 -14.647 7.700 12.656 614 HB3 ASP 195 HB1 ASP 195 -13.171 7.026 11.972 615 H THR 196 HN THR 196 -13.074 4.839 11.234 616 HA THR 196 HA THR 196 -10.944 3.467 12.732 617 HB THR 196 HB THR 196 -12.048 2.644 10.049 618 HG1 THR 196 HG1 THR 196 -13.553 1.659 11.129 619 HG21 THR 196 HG21 THR 196 -10.789 0.585 10.416 620 HG22 THR 196 HG22 THR 196 -10.210 1.198 11.965 621 HG23 THR 196 HG23 THR 196 -9.717 1.983 10.465 622 H ALA 197 HN ALA 197 -8.928 4.063 12.313 623 HA ALA 197 HA ALA 197 -8.363 5.538 9.827 624 HB1 ALA 197 HB1 ALA 197 -6.864 6.970 11.010 625 HB2 ALA 197 HB2 ALA 197 -7.012 6.011 12.480 626 HB3 ALA 197 HB3 ALA 197 -8.385 6.953 11.904 627 H GLY 198 HN GLY 198 -6.797 4.697 8.614 628 HA2 GLY 198 HA2 GLY 198 -4.954 2.749 9.846 629 HA3 GLY 198 HA1 GLY 198 -5.659 2.520 8.250 630 H CYS 199 HN CYS 199 -2.792 3.089 9.493 631 HA CYS 199 HA CYS 199 -2.116 5.113 7.450 632 HB2 CYS 199 HB2 CYS 199 -0.631 4.605 10.033 633 HB3 CYS 199 HB1 CYS 199 -0.284 5.866 8.859 634 HG CYS 199 HG CYS 199 -3.289 6.504 9.524 635 H ILE 200 HN ILE 200 -0.860 4.408 5.855 636 HA ILE 200 HA ILE 200 0.879 2.080 6.369 637 HB ILE 200 HB ILE 200 -0.485 2.652 3.729 638 HG12 ILE 200 HG12 ILE 200 -1.158 0.577 5.835 639 HG13 ILE 200 HG11 ILE 200 -2.140 1.981 5.418 640 HG21 ILE 200 HG21 ILE 200 0.273 0.302 3.252 641 HG22 ILE 200 HG22 ILE 200 1.237 0.383 4.728 642 HG23 ILE 200 HG23 ILE 200 1.565 1.494 3.394 643 HD11 ILE 200 HD11 ILE 200 -2.991 -0.079 4.422 644 HD12 ILE 200 HD12 ILE 200 -1.470 -0.278 3.552 645 HD13 ILE 200 HD13 ILE 200 -2.512 1.097 3.199 646 H VAL 201 HN VAL 201 2.983 2.374 5.894 647 HA VAL 201 HA VAL 201 3.687 4.622 4.130 648 HB VAL 201 HB VAL 201 4.359 5.273 6.338 649 HG11 VAL 201 HG11 VAL 201 4.311 3.077 7.407 650 HG12 VAL 201 HG12 VAL 201 5.819 3.925 7.753 651 HG13 VAL 201 HG13 VAL 201 5.792 2.627 6.558 652 HG21 VAL 201 HG21 VAL 201 6.784 5.498 6.083 653 HG22 VAL 201 HG22 VAL 201 5.953 5.778 4.552 654 HG23 VAL 201 HG23 VAL 201 6.775 4.241 4.841 655 H ILE 202 HN ILE 202 4.928 4.127 2.407 656 HA ILE 202 HA ILE 202 6.282 1.523 2.454 657 HB ILE 202 HB ILE 202 5.779 1.040 0.212 658 HG12 ILE 202 HG12 ILE 202 4.719 3.864 -0.025 659 HG13 ILE 202 HG11 ILE 202 6.119 3.168 -0.847 660 HG21 ILE 202 HG21 ILE 202 3.945 0.531 1.668 661 HG22 ILE 202 HG22 ILE 202 3.300 1.097 0.127 662 HG23 ILE 202 HG23 ILE 202 3.316 2.171 1.526 663 HD11 ILE 202 HD11 ILE 202 4.598 3.095 -2.518 664 HD12 ILE 202 HD12 ILE 202 3.229 2.872 -1.424 665 HD13 ILE 202 HD13 ILE 202 4.299 1.515 -1.787 666 H SEP 203 HN SEP 203 8.358 1.513 1.958 667 HA SEP 203 HA SEP 203 9.525 3.977 0.860 668 HB2 SEP 203 HB1 SEP 203 11.626 3.160 2.165 669 HB3 SEP 203 HB2 SEP 203 10.475 2.193 3.085 670 H ASP 204 HN ASP 204 10.763 3.761 -0.906 671 HA ASP 204 HA ASP 204 11.499 1.020 -1.699 672 HB2 ASP 204 HB2 ASP 204 9.747 2.268 -3.108 673 HB3 ASP 204 HB1 ASP 204 11.073 3.298 -3.632 674 H SEP 205 HN SEP 205 13.596 0.640 -1.890 675 HA SEP 205 HA SEP 205 15.410 2.928 -2.130 676 HB2 SEP 205 HB1 SEP 205 15.596 2.150 0.112 677 HB3 SEP 205 HB2 SEP 205 17.017 1.562 -0.745 678 H GLU 206 HN GLU 206 16.870 2.860 -3.697 679 HA GLU 206 HA GLU 206 16.877 0.682 -5.558 680 HB2 GLU 206 HB2 GLU 206 17.103 2.925 -6.404 681 HB3 GLU 206 HB1 GLU 206 18.494 3.224 -5.374 682 HG2 GLU 206 HG2 GLU 206 19.014 2.836 -7.780 683 HG3 GLU 206 HG1 GLU 206 19.864 1.781 -6.655
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