NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
598473 | 2my5 | 25446 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -2.106 14.673 1.463 2 H2 MET 1 H2 MET 1 -1.859 15.431 2.963 3 H3 MET 1 H3 MET 1 -3.332 14.651 2.634 4 HA MET 1 HA MET 1 -2.178 12.517 2.497 5 HB2 MET 1 HB3 MET 1 0.174 14.276 3.225 6 HB3 MET 1 HB2 MET 1 0.183 12.525 3.446 7 HG2 MET 1 HG3 MET 1 -0.333 12.235 1.039 8 HG3 MET 1 HG2 MET 1 -0.270 13.985 0.830 9 HE1 MET 1 HE1 MET 1 1.476 15.368 1.678 10 HE2 MET 1 HE2 MET 1 3.191 15.075 1.404 11 HE3 MET 1 HE3 MET 1 2.448 14.620 2.943 12 H GLN 2 H GLN 2 -3.524 11.901 4.128 13 HA GLN 2 HA GLN 2 -3.055 13.039 6.848 14 HB2 GLN 2 HB3 GLN 2 -5.396 11.446 5.751 15 HB3 GLN 2 HB2 GLN 2 -5.275 12.073 7.396 16 HG2 GLN 2 HG3 GLN 2 -5.147 14.370 6.530 17 HG3 GLN 2 HG2 GLN 2 -5.227 13.761 4.876 18 HE21 GLN 2 HE22 GLN 2 -7.224 15.549 5.855 19 HE22 GLN 2 HE21 GLN 2 -8.692 14.706 5.978 20 H HIS 3 H HIS 3 -2.377 11.672 8.505 21 HA HIS 3 HA HIS 3 -1.355 9.762 9.423 22 HB2 HIS 3 HB3 HIS 3 -3.427 8.342 7.719 23 HB3 HIS 3 HB2 HIS 3 -2.592 7.674 9.121 24 HD1 HIS 3 HD1 HIS 3 -5.317 10.053 8.147 25 HD2 HIS 3 HD2 HIS 3 -3.481 8.706 11.643 26 HE1 HIS 3 HE1 HIS 3 -6.769 10.839 10.070 27 HE2 HIS 3 HE2 HIS 3 -5.661 10.025 12.201 28 H ALA 4 H ALA 4 -0.161 10.847 7.053 29 HA ALA 4 HA ALA 4 0.412 8.932 5.040 30 HB1 ALA 4 HB1 ALA 4 1.456 11.503 5.895 31 HB2 ALA 4 HB2 ALA 4 1.431 10.793 4.281 32 HB3 ALA 4 HB3 ALA 4 2.759 10.430 5.383 33 H SER 5 H SER 5 1.813 9.404 8.253 34 HA SER 5 HA SER 5 4.092 7.721 7.932 35 HB2 SER 5 HB3 SER 5 4.144 7.611 10.353 36 HB3 SER 5 HB2 SER 5 3.655 9.238 9.890 37 HG SER 5 HG SER 5 2.349 8.206 11.553 38 H VAL 6 H VAL 6 0.712 6.989 8.653 39 HA VAL 6 HA VAL 6 1.129 4.224 9.330 40 HB VAL 6 HB VAL 6 -1.295 5.651 8.225 41 HG11 VAL 6 HG11 VAL 6 -2.125 3.578 7.871 42 HG12 VAL 6 HG12 VAL 6 -2.111 3.381 9.623 43 HG13 VAL 6 HG13 VAL 6 -0.744 2.819 8.663 44 HG21 VAL 6 HG21 VAL 6 -2.027 5.790 10.485 45 HG22 VAL 6 HG22 VAL 6 -0.328 6.261 10.530 46 HG23 VAL 6 HG23 VAL 6 -0.807 4.639 11.029 47 H ILE 7 H ILE 7 0.512 5.920 6.288 48 HA ILE 7 HA ILE 7 0.103 3.646 4.641 49 HB ILE 7 HB ILE 7 1.440 6.276 3.943 50 HG12 ILE 7 HG13 ILE 7 -1.451 5.403 3.634 51 HG13 ILE 7 HG12 ILE 7 -0.865 6.418 4.951 52 HG21 ILE 7 HG21 ILE 7 1.088 3.893 2.425 53 HG22 ILE 7 HG22 ILE 7 1.651 5.463 1.856 54 HG23 ILE 7 HG23 ILE 7 -0.069 5.075 1.815 55 HD11 ILE 7 HD11 ILE 7 -1.190 7.071 2.054 56 HD12 ILE 7 HD12 ILE 7 0.136 7.838 2.927 57 HD13 ILE 7 HD13 ILE 7 -1.525 8.063 3.472 58 H ALA 8 H ALA 8 3.135 5.398 5.378 59 HA ALA 8 HA ALA 8 4.822 3.608 3.909 60 HB1 ALA 8 HB1 ALA 8 6.433 4.496 5.947 61 HB2 ALA 8 HB2 ALA 8 5.183 5.741 5.919 62 HB3 ALA 8 HB3 ALA 8 6.120 5.399 4.464 63 H GLN 9 H GLN 9 3.823 3.717 7.305 64 HA GLN 9 HA GLN 9 5.270 1.420 8.184 65 HB2 GLN 9 HB3 GLN 9 4.185 3.057 9.712 66 HB3 GLN 9 HB2 GLN 9 2.606 2.484 9.176 67 HG2 GLN 9 HG3 GLN 9 4.052 0.174 9.894 68 HG3 GLN 9 HG2 GLN 9 4.362 1.350 11.169 69 HE21 GLN 9 HE22 GLN 9 1.586 0.075 9.244 70 HE22 GLN 9 HE21 GLN 9 0.477 0.149 10.527 71 H PHE 10 H PHE 10 2.091 1.814 6.703 72 HA PHE 10 HA PHE 10 1.161 -0.852 7.048 73 HB2 PHE 10 HB3 PHE 10 -0.118 1.223 6.241 74 HB3 PHE 10 HB2 PHE 10 0.571 0.895 4.654 75 HD1 PHE 10 HD1 PHE 10 -1.637 -0.412 7.318 76 HD2 PHE 10 HD2 PHE 10 -0.204 -0.952 3.304 77 HE1 PHE 10 HE1 PHE 10 -3.428 -2.075 6.904 78 HE2 PHE 10 HE2 PHE 10 -1.998 -2.619 2.892 79 HZ PHE 10 HZ PHE 10 -3.607 -3.174 4.694 80 H VAL 11 H VAL 11 2.788 0.629 4.226 81 HA VAL 11 HA VAL 11 3.061 -1.925 2.877 82 HB VAL 11 HB VAL 11 4.389 -0.655 1.248 83 HG11 VAL 11 HG11 VAL 11 2.369 -0.037 0.474 84 HG12 VAL 11 HG12 VAL 11 2.473 1.417 1.468 85 HG13 VAL 11 HG13 VAL 11 1.711 -0.039 2.110 86 HG21 VAL 11 HG21 VAL 11 5.701 0.801 2.594 87 HG22 VAL 11 HG22 VAL 11 4.280 1.442 3.418 88 HG23 VAL 11 HG23 VAL 11 4.589 1.865 1.734 89 H VAL 12 H VAL 12 5.380 0.225 4.556 90 HA VAL 12 HA VAL 12 7.670 -1.424 4.123 91 HB VAL 12 HB VAL 12 7.059 0.576 6.290 92 HG11 VAL 12 HG11 VAL 12 8.789 -0.670 7.250 93 HG12 VAL 12 HG12 VAL 12 9.681 0.560 6.354 94 HG13 VAL 12 HG13 VAL 12 9.502 -1.062 5.685 95 HG21 VAL 12 HG21 VAL 12 7.146 1.674 4.184 96 HG22 VAL 12 HG22 VAL 12 8.480 0.663 3.628 97 HG23 VAL 12 HG23 VAL 12 8.758 1.887 4.866 98 H GLU 13 H GLU 13 5.339 -1.367 6.805 99 HA GLU 13 HA GLU 13 6.715 -3.205 8.481 100 HB2 GLU 13 HB3 GLU 13 4.747 -1.881 9.206 101 HB3 GLU 13 HB2 GLU 13 3.725 -2.887 8.187 102 HG2 GLU 13 HG3 GLU 13 4.495 -4.890 9.460 103 HG3 GLU 13 HG2 GLU 13 5.394 -3.813 10.526 104 H GLU 14 H GLU 14 4.633 -3.717 5.692 105 HA GLU 14 HA GLU 14 4.263 -6.536 6.065 106 HB2 GLU 14 HB3 GLU 14 2.920 -5.119 4.505 107 HB3 GLU 14 HB2 GLU 14 4.331 -5.001 3.454 108 HG2 GLU 14 HG3 GLU 14 4.373 -7.487 3.290 109 HG3 GLU 14 HG2 GLU 14 2.894 -7.548 4.249 110 H PHE 15 H PHE 15 6.796 -4.658 4.428 111 HA PHE 15 HA PHE 15 8.106 -7.142 3.524 112 HB2 PHE 15 HB3 PHE 15 9.116 -4.298 3.301 113 HB3 PHE 15 HB2 PHE 15 9.672 -5.700 2.389 114 HD1 PHE 15 HD1 PHE 15 7.893 -6.946 0.949 115 HD2 PHE 15 HD2 PHE 15 7.395 -2.965 2.473 116 HE1 PHE 15 HE1 PHE 15 6.145 -6.510 -0.757 117 HE2 PHE 15 HE2 PHE 15 5.647 -2.527 0.776 118 HZ PHE 15 HZ PHE 15 5.025 -4.298 -0.843 119 H LEU 16 H LEU 16 9.067 -4.345 5.565 120 HA LEU 16 HA LEU 16 10.893 -6.219 7.020 121 HB2 LEU 16 HB3 LEU 16 11.695 -4.169 5.358 122 HB3 LEU 16 HB2 LEU 16 11.759 -3.414 6.948 123 HG LEU 16 HG LEU 16 13.065 -5.406 7.763 124 HD11 LEU 16 HD11 LEU 16 12.292 -6.383 5.179 125 HD12 LEU 16 HD12 LEU 16 13.166 -7.233 6.454 126 HD13 LEU 16 HD13 LEU 16 14.053 -6.303 5.246 127 HD21 LEU 16 HD21 LEU 16 15.126 -4.578 6.950 128 HD22 LEU 16 HD22 LEU 16 14.038 -3.197 6.806 129 HD23 LEU 16 HD23 LEU 16 14.438 -4.157 5.381 130 HA PRO 17 HA PRO 17 8.235 -4.117 10.131 131 HB2 PRO 17 HB2 PRO 17 7.754 -6.549 11.482 132 HB3 PRO 17 HB3 PRO 17 6.649 -5.712 10.382 133 HG2 PRO 17 HG3 PRO 17 7.968 -8.174 9.965 134 HG3 PRO 17 HG2 PRO 17 6.951 -7.283 8.833 135 HD2 PRO 17 HD3 PRO 17 9.885 -7.503 8.908 136 HD3 PRO 17 HD2 PRO 17 8.827 -7.008 7.570 137 H ASP 18 H ASP 18 10.970 -6.279 10.380 138 HA ASP 18 HA ASP 18 11.366 -5.909 13.238 139 HB2 ASP 18 HB3 ASP 18 13.178 -6.920 11.041 140 HB3 ASP 18 HB2 ASP 18 13.614 -6.914 12.745 141 H VAL 19 H VAL 19 11.691 -3.885 10.626 142 HA VAL 19 HA VAL 19 13.845 -2.292 11.958 143 HB VAL 19 HB VAL 19 12.938 -2.220 9.060 144 HG11 VAL 19 HG11 VAL 19 13.755 -0.060 9.613 145 HG12 VAL 19 HG12 VAL 19 15.141 -0.885 8.897 146 HG13 VAL 19 HG13 VAL 19 15.023 -0.716 10.649 147 HG21 VAL 19 HG21 VAL 19 14.143 -4.263 9.420 148 HG22 VAL 19 HG22 VAL 19 15.330 -3.458 10.447 149 HG23 VAL 19 HG23 VAL 19 15.299 -3.133 8.714 150 H ALA 20 H ALA 20 13.364 -0.090 12.400 151 HA ALA 20 HA ALA 20 10.639 0.547 12.885 152 HB1 ALA 20 HB1 ALA 20 11.700 2.144 14.060 153 HB2 ALA 20 HB2 ALA 20 12.027 2.985 12.545 154 HB3 ALA 20 HB3 ALA 20 13.200 1.834 13.186 155 HA PRO 21 HA PRO 21 9.680 1.325 8.512 156 HB2 PRO 21 HB2 PRO 21 7.084 2.306 9.230 157 HB3 PRO 21 HB3 PRO 21 7.502 0.751 8.499 158 HG2 PRO 21 HG3 PRO 21 6.633 1.265 11.145 159 HG3 PRO 21 HG2 PRO 21 7.072 -0.281 10.412 160 HD2 PRO 21 HD3 PRO 21 8.535 1.238 12.371 161 HD3 PRO 21 HD2 PRO 21 8.950 -0.337 11.665 162 H ALA 22 H ALA 22 9.089 3.611 11.136 163 HA ALA 22 HA ALA 22 8.789 5.919 9.404 164 HB1 ALA 22 HB1 ALA 22 8.036 5.690 11.857 165 HB2 ALA 22 HB2 ALA 22 8.803 7.210 11.400 166 HB3 ALA 22 HB3 ALA 22 9.722 5.987 12.278 167 H ASP 23 H ASP 23 11.437 4.029 10.411 168 HA ASP 23 HA ASP 23 13.393 6.219 10.011 169 HB2 ASP 23 HB3 ASP 23 13.727 3.328 10.865 170 HB3 ASP 23 HB2 ASP 23 15.062 4.465 10.674 171 H VAL 24 H VAL 24 11.664 4.347 8.029 172 HA VAL 24 HA VAL 24 13.927 3.670 6.214 173 HB VAL 24 HB VAL 24 10.988 2.938 6.005 174 HG11 VAL 24 HG11 VAL 24 11.880 1.261 4.361 175 HG12 VAL 24 HG12 VAL 24 13.455 2.046 4.484 176 HG13 VAL 24 HG13 VAL 24 12.076 2.933 3.834 177 HG21 VAL 24 HG21 VAL 24 13.396 1.499 7.135 178 HG22 VAL 24 HG22 VAL 24 11.964 0.626 6.589 179 HG23 VAL 24 HG23 VAL 24 11.837 1.789 7.908 180 H ASP 25 H ASP 25 14.173 4.766 4.279 181 HA ASP 25 HA ASP 25 12.964 7.332 3.980 182 HB2 ASP 25 HB3 ASP 25 14.392 5.576 1.961 183 HB3 ASP 25 HB2 ASP 25 13.955 7.261 1.674 184 H VAL 26 H VAL 26 10.689 7.114 4.018 185 HA VAL 26 HA VAL 26 9.193 5.272 2.428 186 HB VAL 26 HB VAL 26 7.281 6.637 2.931 187 HG11 VAL 26 HG11 VAL 26 7.531 6.970 5.342 188 HG12 VAL 26 HG12 VAL 26 9.287 6.966 5.183 189 HG13 VAL 26 HG13 VAL 26 8.369 5.495 4.861 190 HG21 VAL 26 HG21 VAL 26 8.043 8.951 4.135 191 HG22 VAL 26 HG22 VAL 26 7.652 8.839 2.419 192 HG23 VAL 26 HG23 VAL 26 9.334 8.782 2.945 193 H ASP 27 H ASP 27 11.303 7.470 1.298 194 HA ASP 27 HA ASP 27 9.658 8.426 -0.971 195 HB2 ASP 27 HB3 ASP 27 12.546 8.934 -0.191 196 HB3 ASP 27 HB2 ASP 27 11.767 9.627 -1.614 197 H LEU 28 H LEU 28 10.888 5.576 -0.293 198 HA LEU 28 HA LEU 28 12.450 5.088 -2.740 199 HB2 LEU 28 HB3 LEU 28 12.992 3.955 -0.577 200 HB3 LEU 28 HB2 LEU 28 11.448 3.114 -0.675 201 HG LEU 28 HG LEU 28 12.163 2.225 -2.925 202 HD11 LEU 28 HD11 LEU 28 14.809 2.262 -3.055 203 HD12 LEU 28 HD12 LEU 28 14.619 3.760 -2.145 204 HD13 LEU 28 HD13 LEU 28 13.863 3.588 -3.729 205 HD21 LEU 28 HD21 LEU 28 12.414 1.010 -0.691 206 HD22 LEU 28 HD22 LEU 28 14.108 1.498 -0.723 207 HD23 LEU 28 HD23 LEU 28 13.467 0.451 -1.989 208 H ASP 29 H ASP 29 11.634 4.226 -4.593 209 HA ASP 29 HA ASP 29 8.805 4.127 -4.998 210 HB2 ASP 29 HB3 ASP 29 11.093 2.968 -6.618 211 HB3 ASP 29 HB2 ASP 29 9.418 3.007 -7.170 212 H LEU 30 H LEU 30 7.429 2.549 -4.344 213 HA LEU 30 HA LEU 30 8.308 0.175 -3.044 214 HB2 LEU 30 HB3 LEU 30 5.621 0.652 -4.378 215 HB3 LEU 30 HB2 LEU 30 5.968 -0.546 -3.132 216 HG LEU 30 HG LEU 30 6.135 2.465 -2.821 217 HD11 LEU 30 HD11 LEU 30 4.455 1.231 -0.904 218 HD12 LEU 30 HD12 LEU 30 4.024 0.532 -2.465 219 HD13 LEU 30 HD13 LEU 30 3.969 2.280 -2.236 220 HD21 LEU 30 HD21 LEU 30 6.402 1.591 -0.328 221 HD22 LEU 30 HD22 LEU 30 7.809 1.736 -1.380 222 HD23 LEU 30 HD23 LEU 30 7.052 0.163 -1.131 223 H VAL 31 H VAL 31 8.269 0.962 -6.337 224 HA VAL 31 HA VAL 31 7.536 -1.397 -7.646 225 HB VAL 31 HB VAL 31 8.410 0.792 -8.671 226 HG11 VAL 31 HG11 VAL 31 10.573 0.621 -7.305 227 HG12 VAL 31 HG12 VAL 31 10.759 1.022 -9.013 228 HG13 VAL 31 HG13 VAL 31 11.075 -0.620 -8.453 229 HG21 VAL 31 HG21 VAL 31 9.071 -1.989 -9.599 230 HG22 VAL 31 HG22 VAL 31 9.613 -0.609 -10.554 231 HG23 VAL 31 HG23 VAL 31 7.893 -0.849 -10.250 232 H ASP 32 H ASP 32 10.555 -0.678 -5.928 233 HA ASP 32 HA ASP 32 11.994 -3.024 -6.644 234 HB2 ASP 32 HB3 ASP 32 11.958 -1.477 -4.029 235 HB3 ASP 32 HB2 ASP 32 13.131 -2.737 -4.413 236 H ASN 33 H ASN 33 9.499 -2.405 -4.253 237 HA ASN 33 HA ASN 33 9.495 -5.197 -3.318 238 HB2 ASN 33 HB3 ASN 33 7.673 -2.878 -2.639 239 HB3 ASN 33 HB2 ASN 33 7.689 -4.440 -1.825 240 HD21 ASN 33 HD22 ASN 33 9.167 -1.320 -1.921 241 HD22 ASN 33 HD21 ASN 33 10.401 -1.629 -0.798 242 H GLY 34 H GLY 34 8.736 -4.067 -6.102 243 HA2 GLY 34 HA3 GLY 34 6.076 -4.199 -6.749 244 HA3 GLY 34 HA2 GLY 34 7.314 -4.904 -7.786 245 H VAL 35 H VAL 35 7.862 -6.741 -5.282 246 HA VAL 35 HA VAL 35 6.575 -9.049 -6.242 247 HB VAL 35 HB VAL 35 8.404 -8.830 -4.421 248 HG11 VAL 35 HG11 VAL 35 7.684 -8.646 -2.167 249 HG12 VAL 35 HG12 VAL 35 5.992 -8.875 -2.610 250 HG13 VAL 35 HG13 VAL 35 6.815 -7.374 -3.024 251 HG21 VAL 35 HG21 VAL 35 7.505 -10.955 -3.283 252 HG22 VAL 35 HG22 VAL 35 7.670 -11.014 -5.038 253 HG23 VAL 35 HG23 VAL 35 6.083 -10.768 -4.310 254 H ILE 36 H ILE 36 5.443 -6.610 -3.958 255 HA ILE 36 HA ILE 36 2.981 -7.989 -3.291 256 HB ILE 36 HB ILE 36 4.212 -6.070 -2.019 257 HG12 ILE 36 HG13 ILE 36 1.233 -6.326 -2.447 258 HG13 ILE 36 HG12 ILE 36 2.206 -6.949 -1.119 259 HG21 ILE 36 HG21 ILE 36 4.008 -4.622 -4.168 260 HG22 ILE 36 HG22 ILE 36 3.654 -3.855 -2.620 261 HG23 ILE 36 HG23 ILE 36 2.335 -4.379 -3.666 262 HD11 ILE 36 HD11 ILE 36 2.756 -4.321 -0.862 263 HD12 ILE 36 HD12 ILE 36 1.394 -5.090 -0.050 264 HD13 ILE 36 HD13 ILE 36 1.141 -4.211 -1.558 265 H ASP 37 H ASP 37 3.992 -5.871 -5.852 266 HA ASP 37 HA ASP 37 1.508 -4.785 -6.636 267 HB2 ASP 37 HB3 ASP 37 3.893 -5.553 -8.331 268 HB3 ASP 37 HB2 ASP 37 2.524 -4.615 -8.921 269 H SER 38 H SER 38 2.784 -8.030 -7.209 270 HA SER 38 HA SER 38 0.360 -8.589 -8.864 271 HB2 SER 38 2HB SER 38 2.159 -10.762 -9.006 272 HB3 SER 38 1HB SER 38 1.782 -9.591 -10.266 273 H LEU 39 H LEU 39 2.459 -10.499 -6.669 274 HA LEU 39 HA LEU 39 0.316 -12.302 -6.025 275 HB2 LEU 39 HB3 LEU 39 2.974 -11.791 -4.697 276 HB3 LEU 39 HB2 LEU 39 1.876 -13.070 -4.194 277 HG LEU 39 HG LEU 39 1.958 -13.629 -6.811 278 HD11 LEU 39 HD11 LEU 39 4.305 -13.312 -7.610 279 HD12 LEU 39 HD12 LEU 39 4.611 -12.295 -6.202 280 HD13 LEU 39 HD13 LEU 39 3.436 -11.791 -7.416 281 HD21 LEU 39 HD21 LEU 39 3.922 -14.379 -4.641 282 HD22 LEU 39 HD22 LEU 39 3.943 -15.151 -6.227 283 HD23 LEU 39 HD23 LEU 39 2.517 -15.287 -5.197 284 H GLY 40 H GLY 40 1.856 -9.710 -4.122 285 HA2 GLY 40 HA3 GLY 40 0.009 -9.980 -1.921 286 HA3 GLY 40 HA2 GLY 40 1.084 -8.611 -2.194 287 H LEU 41 H LEU 41 0.104 -7.958 -4.811 288 HA LEU 41 HA LEU 41 -1.997 -6.173 -4.148 289 HB2 LEU 41 HB3 LEU 41 -0.465 -5.956 -6.106 290 HB3 LEU 41 HB2 LEU 41 -1.326 -7.275 -6.892 291 HG LEU 41 HG LEU 41 -2.759 -4.814 -5.878 292 HD11 LEU 41 HD11 LEU 41 -0.919 -4.227 -7.514 293 HD12 LEU 41 HD12 LEU 41 -2.544 -3.797 -8.045 294 HD13 LEU 41 HD13 LEU 41 -1.752 -5.229 -8.702 295 HD21 LEU 41 HD21 LEU 41 -4.034 -5.752 -8.139 296 HD22 LEU 41 HD22 LEU 41 -4.501 -6.139 -6.487 297 HD23 LEU 41 HD23 LEU 41 -3.472 -7.244 -7.393 298 H LEU 42 H LEU 42 -2.104 -9.367 -5.714 299 HA LEU 42 HA LEU 42 -4.916 -9.371 -6.212 300 HB2 LEU 42 HB3 LEU 42 -3.308 -11.042 -7.155 301 HB3 LEU 42 HB2 LEU 42 -3.158 -11.748 -5.553 302 HG LEU 42 HG LEU 42 -5.644 -12.109 -5.540 303 HD11 LEU 42 HD11 LEU 42 -5.270 -10.905 -8.253 304 HD12 LEU 42 HD12 LEU 42 -6.577 -10.670 -7.095 305 HD13 LEU 42 HD13 LEU 42 -6.500 -12.151 -8.048 306 HD21 LEU 42 HD21 LEU 42 -3.600 -13.502 -7.037 307 HD22 LEU 42 HD22 LEU 42 -5.163 -13.695 -7.832 308 HD23 LEU 42 HD23 LEU 42 -4.966 -14.173 -6.145 309 H LYS 43 H LYS 43 -3.021 -10.487 -3.408 310 HA LYS 43 HA LYS 43 -5.343 -11.336 -1.912 311 HB2 LYS 43 HB3 LYS 43 -2.533 -10.650 -1.041 312 HB3 LYS 43 HB2 LYS 43 -3.746 -11.379 0.004 313 HG2 LYS 43 HG3 LYS 43 -3.946 -13.271 -1.614 314 HG3 LYS 43 HG2 LYS 43 -2.630 -12.563 -2.551 315 HD2 LYS 43 HD3 LYS 43 -1.172 -12.694 -0.527 316 HD3 LYS 43 HD2 LYS 43 -2.480 -13.518 0.322 317 HE2 LYS 43 HE3 LYS 43 -2.371 -15.405 -1.112 318 HE3 LYS 43 HE2 LYS 43 -1.411 -14.539 -2.311 319 HZ1 LYS 43 HZ1 LYS 43 -0.401 -14.944 0.431 320 HZ2 LYS 43 HZ2 LYS 43 0.472 -14.627 -0.988 321 HZ3 LYS 43 HZ3 LYS 43 -0.226 -16.157 -0.746 322 H VAL 44 H VAL 44 -3.386 -8.370 -1.969 323 HA VAL 44 HA VAL 44 -4.724 -7.101 0.231 324 HB VAL 44 HB VAL 44 -3.184 -5.945 -2.104 325 HG11 VAL 44 HG11 VAL 44 -2.997 -3.955 -0.496 326 HG12 VAL 44 HG12 VAL 44 -4.346 -4.678 0.382 327 HG13 VAL 44 HG13 VAL 44 -4.555 -4.173 -1.294 328 HG21 VAL 44 HG21 VAL 44 -1.309 -6.245 -0.834 329 HG22 VAL 44 HG22 VAL 44 -2.279 -7.489 -0.045 330 HG23 VAL 44 HG23 VAL 44 -2.153 -5.883 0.672 331 H ILE 45 H ILE 45 -5.216 -6.809 -3.302 332 HA ILE 45 HA ILE 45 -7.326 -4.898 -3.102 333 HB ILE 45 HB ILE 45 -6.294 -6.747 -5.186 334 HG12 ILE 45 HG13 ILE 45 -6.254 -4.683 -6.478 335 HG13 ILE 45 HG12 ILE 45 -7.221 -3.861 -5.254 336 HG21 ILE 45 HG21 ILE 45 -8.592 -7.306 -5.458 337 HG22 ILE 45 HG22 ILE 45 -8.277 -6.047 -6.650 338 HG23 ILE 45 HG23 ILE 45 -9.110 -5.649 -5.148 339 HD11 ILE 45 HD11 ILE 45 -5.462 -3.748 -3.740 340 HD12 ILE 45 HD12 ILE 45 -4.591 -3.599 -5.266 341 HD13 ILE 45 HD13 ILE 45 -4.644 -5.150 -4.428 342 H ALA 46 H ALA 46 -7.377 -8.459 -3.242 343 HA ALA 46 HA ALA 46 -10.231 -8.703 -3.207 344 HB1 ALA 46 HB1 ALA 46 -9.578 -11.014 -2.132 345 HB2 ALA 46 HB2 ALA 46 -7.933 -10.514 -2.526 346 HB3 ALA 46 HB3 ALA 46 -9.136 -10.677 -3.806 347 H TRP 47 H TRP 47 -7.822 -8.703 -0.570 348 HA TRP 47 HA TRP 47 -9.887 -8.961 1.473 349 HB2 TRP 47 HB3 TRP 47 -7.917 -9.839 2.274 350 HB3 TRP 47 HB2 TRP 47 -6.924 -8.646 1.437 351 HD1 TRP 47 HD1 TRP 47 -9.797 -8.161 3.995 352 HE1 TRP 47 HE1 TRP 47 -8.916 -6.640 5.883 353 HE3 TRP 47 HE3 TRP 47 -4.991 -7.567 2.452 354 HZ2 TRP 47 HZ2 TRP 47 -6.475 -5.340 6.638 355 HZ3 TRP 47 HZ3 TRP 47 -3.395 -6.186 3.763 356 HH2 TRP 47 HH2 TRP 47 -4.134 -5.073 5.854 357 H LEU 48 H LEU 48 -7.715 -6.344 0.423 358 HA LEU 48 HA LEU 48 -8.685 -4.356 2.193 359 HB2 LEU 48 HB3 LEU 48 -6.615 -4.228 0.746 360 HB3 LEU 48 HB2 LEU 48 -7.670 -3.883 -0.616 361 HG LEU 48 HG LEU 48 -8.638 -2.028 0.950 362 HD11 LEU 48 HD11 LEU 48 -7.432 -1.447 2.793 363 HD12 LEU 48 HD12 LEU 48 -5.892 -1.806 2.012 364 HD13 LEU 48 HD13 LEU 48 -6.856 -3.111 2.701 365 HD21 LEU 48 HD21 LEU 48 -7.652 -1.093 -0.894 366 HD22 LEU 48 HD22 LEU 48 -6.223 -2.117 -0.768 367 HD23 LEU 48 HD23 LEU 48 -6.376 -0.688 0.254 368 H GLU 49 H GLU 49 -9.793 -5.223 -1.098 369 HA GLU 49 HA GLU 49 -11.716 -3.099 -1.263 370 HB2 GLU 49 HB3 GLU 49 -12.568 -4.248 -3.183 371 HB3 GLU 49 HB2 GLU 49 -10.829 -4.503 -3.190 372 HG2 GLU 49 HG3 GLU 49 -11.546 -6.672 -3.522 373 HG3 GLU 49 HG2 GLU 49 -11.497 -6.631 -1.763 374 H ASP 50 H ASP 50 -11.877 -6.421 -0.058 375 HA ASP 50 HA ASP 50 -14.714 -6.468 0.375 376 HB2 ASP 50 HB3 ASP 50 -13.181 -8.472 0.352 377 HB3 ASP 50 HB2 ASP 50 -12.603 -7.959 1.935 378 H ARG 51 H ARG 51 -11.971 -5.557 2.419 379 HA ARG 51 HA ARG 51 -13.412 -5.154 4.831 380 HB2 ARG 51 HB3 ARG 51 -10.940 -5.232 4.682 381 HB3 ARG 51 HB2 ARG 51 -10.954 -3.670 3.863 382 HG2 ARG 51 HG3 ARG 51 -11.818 -2.557 5.788 383 HG3 ARG 51 HG2 ARG 51 -12.220 -4.082 6.578 384 HD2 ARG 51 HD3 ARG 51 -10.180 -3.202 7.571 385 HD3 ARG 51 HD2 ARG 51 -9.783 -4.641 6.634 386 HE ARG 51 HE ARG 51 -9.387 -2.597 4.829 387 HH11 ARG 51 HH22 ARG 51 -8.405 -3.243 8.069 388 HH12 ARG 51 HH21 ARG 51 -6.888 -2.422 7.916 389 HH21 ARG 51 HH11 ARG 51 -7.404 -1.523 4.608 390 HH22 ARG 51 HH12 ARG 51 -6.322 -1.448 5.958 391 H PHE 52 H PHE 52 -12.803 -2.898 2.121 392 HA PHE 52 HA PHE 52 -14.564 -0.932 3.508 393 HB2 PHE 52 HB3 PHE 52 -12.549 -0.603 1.272 394 HB3 PHE 52 HB2 PHE 52 -13.582 0.689 1.875 395 HD1 PHE 52 HD1 PHE 52 -13.385 1.441 4.259 396 HD2 PHE 52 HD2 PHE 52 -10.631 -1.341 2.491 397 HE1 PHE 52 HE1 PHE 52 -11.789 1.842 6.114 398 HE2 PHE 52 HE2 PHE 52 -9.036 -0.938 4.345 399 HZ PHE 52 HZ PHE 52 -9.615 0.650 6.156 400 H GLY 53 H GLY 53 -14.653 -3.281 1.114 401 HA2 GLY 53 HA3 GLY 53 -16.299 -3.789 -0.482 402 HA3 GLY 53 HA2 GLY 53 -17.292 -2.538 0.269 403 H ILE 54 H ILE 54 -14.082 -2.044 -1.156 404 HA ILE 54 HA ILE 54 -15.300 -0.002 -2.937 405 HB ILE 54 HB ILE 54 -12.386 -0.661 -2.411 406 HG12 ILE 54 HG13 ILE 54 -13.998 1.685 -1.382 407 HG13 ILE 54 HG12 ILE 54 -13.787 0.202 -0.454 408 HG21 ILE 54 HG21 ILE 54 -13.785 1.152 -4.253 409 HG22 ILE 54 HG22 ILE 54 -12.111 0.597 -4.278 410 HG23 ILE 54 HG23 ILE 54 -12.574 1.959 -3.257 411 HD11 ILE 54 HD11 ILE 54 -11.595 2.044 -1.447 412 HD12 ILE 54 HD12 ILE 54 -11.303 0.483 -0.680 413 HD13 ILE 54 HD13 ILE 54 -12.074 1.783 0.230 414 H ALA 55 H ALA 55 -15.693 -0.473 -5.045 415 HA ALA 55 HA ALA 55 -15.045 -3.037 -6.177 416 HB1 ALA 55 HB1 ALA 55 -15.656 -1.612 -8.368 417 HB2 ALA 55 HB2 ALA 55 -16.293 -0.508 -7.148 418 HB3 ALA 55 HB3 ALA 55 -16.893 -2.164 -7.239 419 H ALA 56 H ALA 56 -13.352 -3.631 -7.516 420 HA ALA 56 HA ALA 56 -10.929 -2.098 -7.435 421 HB1 ALA 56 HB1 ALA 56 -9.978 -3.823 -8.772 422 HB2 ALA 56 HB2 ALA 56 -11.542 -4.254 -9.463 423 HB3 ALA 56 HB3 ALA 56 -11.189 -4.632 -7.777 424 H ASP 57 H ASP 57 -13.577 -2.286 -9.726 425 HA ASP 57 HA ASP 57 -12.366 -1.148 -12.009 426 HB2 ASP 57 HB3 ASP 57 -15.178 -0.857 -10.946 427 HB3 ASP 57 HB2 ASP 57 -14.677 -0.313 -12.545 428 H ASP 58 H ASP 58 -13.568 0.385 -9.065 429 HA ASP 58 HA ASP 58 -13.637 3.070 -9.863 430 HB2 ASP 58 HB3 ASP 58 -12.712 1.865 -7.252 431 HB3 ASP 58 HB2 ASP 58 -12.988 3.590 -7.485 432 H VAL 59 H VAL 59 -10.842 1.052 -9.099 433 HA VAL 59 HA VAL 59 -9.096 3.265 -10.104 434 HB VAL 59 HB VAL 59 -8.897 2.969 -7.626 435 HG11 VAL 59 HG11 VAL 59 -7.443 0.414 -7.960 436 HG12 VAL 59 HG12 VAL 59 -9.192 0.308 -8.157 437 HG13 VAL 59 HG13 VAL 59 -8.511 0.940 -6.658 438 HG21 VAL 59 HG21 VAL 59 -6.280 2.021 -8.195 439 HG22 VAL 59 HG22 VAL 59 -6.802 3.697 -8.026 440 HG23 VAL 59 HG23 VAL 59 -6.812 2.926 -9.612 441 H GLU 60 H GLU 60 -7.429 2.609 -11.488 442 HA GLU 60 HA GLU 60 -7.708 -0.133 -12.564 443 HB2 GLU 60 HB3 GLU 60 -7.620 1.839 -14.102 444 HB3 GLU 60 HB2 GLU 60 -5.978 2.151 -13.553 445 HG2 GLU 60 HG3 GLU 60 -5.333 -0.127 -14.292 446 HG3 GLU 60 HG2 GLU 60 -6.959 -0.356 -14.922 447 H LEU 61 H LEU 61 -6.028 -1.649 -12.521 448 HA LEU 61 HA LEU 61 -3.945 -1.139 -10.492 449 HB2 LEU 61 HB3 LEU 61 -4.531 -3.685 -12.029 450 HB3 LEU 61 HB2 LEU 61 -3.571 -3.531 -10.560 451 HG LEU 61 HG LEU 61 -6.526 -2.957 -10.819 452 HD11 LEU 61 HD11 LEU 61 -6.725 -5.164 -10.415 453 HD12 LEU 61 HD12 LEU 61 -6.023 -4.862 -8.826 454 HD13 LEU 61 HD13 LEU 61 -4.986 -5.331 -10.173 455 HD21 LEU 61 HD21 LEU 61 -6.197 -2.865 -8.219 456 HD22 LEU 61 HD22 LEU 61 -5.800 -1.444 -9.185 457 HD23 LEU 61 HD23 LEU 61 -4.516 -2.517 -8.626 458 H SER 62 H SER 62 -1.801 -0.857 -10.997 459 HA SER 62 HA SER 62 -0.626 -1.800 -13.469 460 HB2 SER 62 HB3 SER 62 -1.980 0.666 -13.624 461 HB3 SER 62 HB2 SER 62 -0.270 1.075 -13.529 462 HG SER 62 HG SER 62 -0.493 -0.998 -15.144 463 HA PRO 63 HA PRO 63 3.021 -1.404 -11.019 464 HB2 PRO 63 HB2 PRO 63 4.867 -0.634 -12.950 465 HB3 PRO 63 HB3 PRO 63 4.346 -2.302 -12.653 466 HG2 PRO 63 HG3 PRO 63 3.503 -0.400 -14.765 467 HG3 PRO 63 HG2 PRO 63 3.695 -2.159 -14.834 468 HD2 PRO 63 HD3 PRO 63 1.255 -0.953 -14.672 469 HD3 PRO 63 HD2 PRO 63 1.578 -2.560 -13.988 470 H GLU 64 H GLU 64 2.164 1.284 -13.115 471 HA GLU 64 HA GLU 64 3.958 3.232 -12.032 472 HB2 GLU 64 HB3 GLU 64 1.222 3.564 -13.271 473 HB3 GLU 64 HB2 GLU 64 2.332 4.886 -12.944 474 HG2 GLU 64 HG3 GLU 64 4.017 3.794 -14.393 475 HG3 GLU 64 HG2 GLU 64 2.848 2.534 -14.767 476 H HIS 65 H HIS 65 0.934 1.894 -10.909 477 HA HIS 65 HA HIS 65 0.288 3.964 -9.014 478 HB2 HIS 65 HB3 HIS 65 -1.348 2.262 -9.752 479 HB3 HIS 65 HB2 HIS 65 -0.396 1.008 -8.957 480 HD1 HIS 65 HD1 HIS 65 -2.022 4.332 -7.983 481 HD2 HIS 65 HD2 HIS 65 -1.226 0.570 -6.366 482 HE1 HIS 65 HE1 HIS 65 -3.049 4.313 -5.666 483 HE2 HIS 65 HE2 HIS 65 -2.571 2.030 -4.674 484 H PHE 66 H PHE 66 2.500 1.260 -8.965 485 HA PHE 66 HA PHE 66 2.985 1.662 -6.057 486 HB2 PHE 66 HB3 PHE 66 3.967 -0.469 -7.980 487 HB3 PHE 66 HB2 PHE 66 4.345 -0.415 -6.258 488 HD1 PHE 66 HD2 PHE 66 2.623 -0.837 -4.567 489 HD2 PHE 66 HD1 PHE 66 1.716 -0.999 -8.763 490 HE1 PHE 66 HE2 PHE 66 0.473 -1.966 -4.059 491 HE2 PHE 66 HE1 PHE 66 -0.433 -2.125 -8.255 492 HZ PHE 66 HZ PHE 66 -1.055 -2.609 -5.903 493 H ARG 67 H ARG 67 3.997 3.085 -8.787 494 HA ARG 67 HA ARG 67 6.819 2.935 -8.786 495 HB2 ARG 67 HB3 ARG 67 5.445 4.094 -10.521 496 HB3 ARG 67 HB2 ARG 67 5.125 5.385 -9.369 497 HG2 ARG 67 HG3 ARG 67 6.940 6.224 -10.597 498 HG3 ARG 67 HG2 ARG 67 7.720 5.532 -9.180 499 HD2 ARG 67 HD3 ARG 67 8.216 3.471 -10.438 500 HD3 ARG 67 HD2 ARG 67 7.404 4.137 -11.853 501 HE ARG 67 HE ARG 67 10.068 4.882 -10.879 502 HH11 ARG 67 HH22 ARG 67 7.282 5.691 -12.743 503 HH12 ARG 67 HH21 ARG 67 8.129 6.798 -13.772 504 HH21 ARG 67 HH11 ARG 67 11.189 6.322 -12.213 505 HH22 ARG 67 HH12 ARG 67 10.340 7.155 -13.472 506 H SER 68 H SER 68 4.647 4.944 -6.804 507 HA SER 68 HA SER 68 6.873 5.323 -4.899 508 HB2 SER 68 HB3 SER 68 7.047 7.245 -6.460 509 HB3 SER 68 HB2 SER 68 5.379 7.673 -6.092 510 HG SER 68 HG SER 68 6.059 8.572 -4.326 511 H ILE 69 H ILE 69 6.144 5.670 -2.779 512 HA ILE 69 HA ILE 69 3.522 4.783 -2.117 513 HB ILE 69 HB ILE 69 5.477 6.403 -0.460 514 HG12 ILE 69 HG13 ILE 69 5.044 3.416 -0.566 515 HG13 ILE 69 HG12 ILE 69 6.345 4.246 -1.406 516 HG21 ILE 69 HG21 ILE 69 3.152 4.636 0.304 517 HG22 ILE 69 HG22 ILE 69 3.218 6.390 0.472 518 HG23 ILE 69 HG23 ILE 69 4.284 5.369 1.436 519 HD11 ILE 69 HD11 ILE 69 7.336 3.566 0.628 520 HD12 ILE 69 HD12 ILE 69 5.901 3.990 1.562 521 HD13 ILE 69 HD13 ILE 69 6.929 5.260 0.898 522 H ARG 70 H ARG 70 4.898 8.031 -2.484 523 HA ARG 70 HA ARG 70 2.726 9.500 -1.385 524 HB2 ARG 70 HB3 ARG 70 4.945 10.471 -1.975 525 HB3 ARG 70 HB2 ARG 70 4.523 10.325 -3.682 526 HG2 ARG 70 HG3 ARG 70 2.581 11.794 -3.345 527 HG3 ARG 70 HG2 ARG 70 2.964 11.922 -1.628 528 HD2 ARG 70 HD3 ARG 70 3.856 13.884 -2.710 529 HD3 ARG 70 HD2 ARG 70 5.220 12.849 -2.289 530 HE ARG 70 HE ARG 70 4.602 12.077 -4.869 531 HH11 ARG 70 HH22 ARG 70 5.217 15.059 -3.251 532 HH12 ARG 70 HH21 ARG 70 5.905 15.826 -4.643 533 HH21 ARG 70 HH11 ARG 70 5.497 13.061 -6.696 534 HH22 ARG 70 HH12 ARG 70 6.064 14.695 -6.593 535 H SER 71 H SER 71 3.255 8.312 -4.712 536 HA SER 71 HA SER 71 1.006 9.592 -5.889 537 HB2 SER 71 HB3 SER 71 2.141 6.872 -6.596 538 HB3 SER 71 HB2 SER 71 1.199 7.923 -7.645 539 HG SER 71 HG SER 71 2.957 8.973 -8.080 540 H ILE 72 H ILE 72 1.293 6.396 -4.327 541 HA ILE 72 HA ILE 72 -1.430 5.627 -4.721 542 HB ILE 72 HB ILE 72 0.524 4.819 -2.547 543 HG12 ILE 72 HG13 ILE 72 -0.152 3.477 -5.183 544 HG13 ILE 72 HG12 ILE 72 1.300 4.437 -4.901 545 HG21 ILE 72 HG21 ILE 72 -1.780 4.256 -1.974 546 HG22 ILE 72 HG22 ILE 72 -0.906 2.791 -2.423 547 HG23 ILE 72 HG23 ILE 72 -2.023 3.538 -3.565 548 HD11 ILE 72 HD11 ILE 72 2.308 2.613 -4.056 549 HD12 ILE 72 HD12 ILE 72 0.823 1.679 -4.242 550 HD13 ILE 72 HD13 ILE 72 1.114 2.586 -2.758 551 H ASP 73 H ASP 73 0.226 7.402 -2.141 552 HA ASP 73 HA ASP 73 -1.841 7.464 -0.228 553 HB2 ASP 73 HB3 ASP 73 0.191 9.597 -0.947 554 HB3 ASP 73 HB2 ASP 73 -0.786 9.599 0.519 555 H ALA 74 H ALA 74 -1.324 9.527 -3.082 556 HA ALA 74 HA ALA 74 -3.470 11.341 -2.505 557 HB1 ALA 74 HB1 ALA 74 -1.513 11.451 -4.284 558 HB2 ALA 74 HB2 ALA 74 -3.048 12.262 -4.594 559 HB3 ALA 74 HB3 ALA 74 -2.714 10.694 -5.330 560 H PHE 75 H PHE 75 -3.341 8.389 -4.512 561 HA PHE 75 HA PHE 75 -6.067 8.542 -5.369 562 HB2 PHE 75 HB3 PHE 75 -4.173 6.203 -5.057 563 HB3 PHE 75 HB2 PHE 75 -5.787 6.048 -5.746 564 HD1 PHE 75 HD1 PHE 75 -6.386 7.703 -7.685 565 HD2 PHE 75 HD2 PHE 75 -2.379 6.785 -6.447 566 HE1 PHE 75 HE1 PHE 75 -5.530 8.478 -9.880 567 HE2 PHE 75 HE2 PHE 75 -1.521 7.563 -8.639 568 HZ PHE 75 HZ PHE 75 -3.097 8.409 -10.356 569 H VAL 76 H VAL 76 -4.542 6.886 -2.598 570 HA VAL 76 HA VAL 76 -6.968 5.719 -1.622 571 HB VAL 76 HB VAL 76 -4.369 6.446 -0.247 572 HG11 VAL 76 HG11 VAL 76 -6.787 4.919 0.736 573 HG12 VAL 76 HG12 VAL 76 -6.064 6.359 1.452 574 HG13 VAL 76 HG13 VAL 76 -5.202 4.822 1.503 575 HG21 VAL 76 HG21 VAL 76 -4.450 4.672 -2.099 576 HG22 VAL 76 HG22 VAL 76 -5.458 3.725 -1.003 577 HG23 VAL 76 HG23 VAL 76 -3.807 4.143 -0.544 578 H VAL 77 H VAL 77 -5.270 8.763 -0.808 579 HA VAL 77 HA VAL 77 -7.119 9.577 1.215 580 HB VAL 77 HB VAL 77 -5.245 11.130 -0.582 581 HG11 VAL 77 HG11 VAL 77 -5.673 12.824 1.432 582 HG12 VAL 77 HG12 VAL 77 -7.239 12.013 1.452 583 HG13 VAL 77 HG13 VAL 77 -6.688 12.831 -0.009 584 HG21 VAL 77 HG21 VAL 77 -3.683 10.609 0.962 585 HG22 VAL 77 HG22 VAL 77 -4.849 9.499 1.682 586 HG23 VAL 77 HG23 VAL 77 -4.730 11.158 2.271 587 H GLY 78 H GLY 78 -6.988 10.151 -2.282 588 HA2 GLY 78 HA3 GLY 78 -9.131 11.999 -2.456 589 HA3 GLY 78 HA2 GLY 78 -8.635 10.919 -3.757 590 H ALA 79 H ALA 79 -9.162 8.465 -2.193 591 HA ALA 79 HA ALA 79 -12.125 8.523 -2.451 592 HB1 ALA 79 HB1 ALA 79 -10.546 6.891 -3.754 593 HB2 ALA 79 HB2 ALA 79 -12.048 6.275 -3.064 594 HB3 ALA 79 HB3 ALA 79 -10.517 6.001 -2.232 595 H THR 80 H THR 80 -9.613 7.090 -0.335 596 HA THR 80 HA THR 80 -11.263 7.659 2.011 597 HB THR 80 HB THR 80 -10.715 4.775 1.297 598 HG1 THR 80 HG1 THR 80 -12.685 4.700 0.519 599 HG21 THR 80 HG21 THR 80 -11.124 5.931 3.766 600 HG22 THR 80 HG22 THR 80 -11.455 4.245 3.369 601 HG23 THR 80 HG23 THR 80 -12.751 5.438 3.300 602 H THR 81 H THR 81 -9.993 7.776 3.842 603 HA THR 81 HA THR 81 -7.193 6.756 3.620 604 HB THR 81 HB THR 81 -7.096 9.157 3.451 605 HG1 THR 81 HG1 THR 81 -6.588 9.177 6.102 606 HG21 THR 81 HG21 THR 81 -8.184 10.120 5.851 607 HG22 THR 81 HG22 THR 81 -9.376 8.977 5.232 608 HG23 THR 81 HG23 THR 81 -8.849 10.330 4.231 609 HA PRO 82 HA PRO 82 -9.025 5.015 7.451 610 HB2 PRO 82 HB2 PRO 82 -8.482 2.432 6.991 611 HB3 PRO 82 HB3 PRO 82 -9.824 3.253 6.168 612 HG2 PRO 82 HG3 PRO 82 -7.157 2.479 5.128 613 HG3 PRO 82 HG2 PRO 82 -8.719 2.556 4.296 614 HD2 PRO 82 HD3 PRO 82 -6.677 4.525 4.221 615 HD3 PRO 82 HD2 PRO 82 -8.339 4.702 3.617 616 HA PRO 83 HA PRO 83 -4.716 4.845 9.019 617 HB2 PRO 83 HB2 PRO 83 -5.227 5.815 11.505 618 HB3 PRO 83 HB3 PRO 83 -5.073 6.865 10.083 619 HG2 PRO 83 HG3 PRO 83 -7.501 5.986 11.531 620 HG3 PRO 83 HG2 PRO 83 -7.168 7.512 10.698 621 HD2 PRO 83 HD3 PRO 83 -8.692 5.401 9.665 622 HD3 PRO 83 HD2 PRO 83 -7.995 6.730 8.714 623 H VAL 84 H VAL 84 -3.786 3.065 9.994 624 HA VAL 84 HA VAL 84 -5.430 1.516 11.949 625 HB VAL 84 HB VAL 84 -5.475 0.446 9.674 626 HG11 VAL 84 HG11 VAL 84 -2.849 1.220 9.545 627 HG12 VAL 84 HG12 VAL 84 -3.576 -0.007 8.507 628 HG13 VAL 84 HG13 VAL 84 -2.690 -0.488 9.954 629 HG21 VAL 84 HG21 VAL 84 -3.930 -1.089 11.789 630 HG22 VAL 84 HG22 VAL 84 -4.891 -1.793 10.489 631 HG23 VAL 84 HG23 VAL 84 -5.681 -0.878 11.774 632 H GLU 85 H GLU 85 -4.252 0.696 13.680 633 HA GLU 85 HA GLU 85 -1.716 1.884 14.274 634 HB2 GLU 85 HB3 GLU 85 -3.111 -0.507 15.514 635 HB3 GLU 85 HB2 GLU 85 -1.690 0.284 16.195 636 HG2 GLU 85 HG3 GLU 85 -3.473 1.325 17.327 637 HG3 GLU 85 HG2 GLU 85 -3.093 2.464 16.036 638 H ALA 86 H ALA 86 -2.612 -1.271 12.933 639 HA ALA 86 HA ALA 86 0.202 -1.628 12.090 640 HB1 ALA 86 HB1 ALA 86 -0.975 -4.094 13.198 641 HB2 ALA 86 HB2 ALA 86 -0.629 -2.852 14.402 642 HB3 ALA 86 HB3 ALA 86 0.661 -3.455 13.362 643 H LYS 87 H LYS 87 0.403 -3.291 10.409 644 HA LYS 87 HA LYS 87 -1.864 -3.290 8.601 645 HB2 LYS 87 HB3 LYS 87 0.573 -3.314 7.910 646 HB3 LYS 87 HB2 LYS 87 0.634 -4.997 8.431 647 HG2 LYS 87 HG3 LYS 87 -1.211 -5.531 6.854 648 HG3 LYS 87 HG2 LYS 87 -1.197 -3.856 6.300 649 HD2 LYS 87 HD3 LYS 87 1.260 -4.177 5.746 650 HD3 LYS 87 HD2 LYS 87 1.022 -5.898 6.043 651 HE2 LYS 87 HE3 LYS 87 -0.457 -4.218 3.995 652 HE3 LYS 87 HE2 LYS 87 0.779 -5.427 3.650 653 HZ1 LYS 87 HZ1 LYS 87 -1.274 -6.494 3.346 654 HZ2 LYS 87 HZ2 LYS 87 -1.926 -5.855 4.775 655 HZ3 LYS 87 HZ3 LYS 87 -0.711 -7.041 4.852 656 H LEU 88 H LEU 88 -3.412 -4.862 8.348 657 HA LEU 88 HA LEU 88 -3.249 -7.207 10.174 658 HB2 LEU 88 HB3 LEU 88 -5.277 -5.735 10.260 659 HB3 LEU 88 HB2 LEU 88 -5.619 -6.176 8.588 660 HG LEU 88 HG LEU 88 -5.625 -8.594 9.308 661 HD11 LEU 88 HD11 LEU 88 -4.835 -7.321 11.815 662 HD12 LEU 88 HD12 LEU 88 -4.750 -9.018 11.346 663 HD13 LEU 88 HD13 LEU 88 -6.242 -8.363 12.018 664 HD21 LEU 88 HD21 LEU 88 -7.804 -7.923 9.078 665 HD22 LEU 88 HD22 LEU 88 -7.584 -6.509 10.108 666 HD23 LEU 88 HD23 LEU 88 -7.810 -8.101 10.832 667 H GLN 89 H GLN 89 -2.937 -9.228 9.345 668 HA GLN 89 HA GLN 89 -2.423 -9.547 6.503 669 HB2 GLN 89 HB3 GLN 89 -2.642 -11.585 8.741 670 HB3 GLN 89 HB2 GLN 89 -2.086 -11.946 7.106 671 HG2 GLN 89 HG3 GLN 89 -0.236 -10.352 7.359 672 HG3 GLN 89 HG2 GLN 89 -0.802 -9.933 8.976 673 HE21 GLN 89 HE22 GLN 89 1.809 -11.011 8.607 674 HE22 GLN 89 HE21 GLN 89 1.857 -12.566 9.285 675 H1 PN7 101 3HO SAT 38 2.278 -7.042 -14.646 676 H2 PN7 101 1H1 SAT 38 4.069 -7.269 -12.635 677 H3 PN7 101 2H1 SAT 38 4.278 -6.065 -11.366 678 H5 PN7 101 3HE1 SAT 38 3.881 -4.378 -13.496 679 H6 PN7 101 1HE1 SAT 38 2.397 -4.651 -14.407 680 H7 PN7 101 2HE1 SAT 38 3.664 -5.877 -14.399 681 H8 PN7 101 2HE2 SAT 38 1.530 -3.917 -12.151 682 H9 PN7 101 3HE2 SAT 38 2.933 -4.233 -11.133 683 H10 PN7 101 1HE2 SAT 38 1.428 -5.110 -10.857 684 H11 PN7 101 3H SAT 38 0.937 -7.148 -12.157 685 H12 PN7 101 5H SAT 38 -0.397 -4.037 -12.643 686 H13 PN7 101 2H6 SAT 38 -2.033 -5.073 -11.261 687 H14 PN7 101 1H6 SAT 38 -0.644 -6.091 -10.883 688 H15 PN7 101 1H7 SAT 38 -1.245 -7.597 -12.750 689 H16 PN7 101 2H7 SAT 38 -2.639 -6.581 -13.117 690 H17 PN7 101 9H SAT 38 -1.198 -8.248 -10.265 691 H18 PN7 101 2H10 SAT 38 -3.923 -9.309 -9.694 692 H19 PN7 101 1H10 SAT 38 -2.531 -9.466 -8.623 693 H20 PN7 101 1H11 SAT 38 -3.324 -11.123 -10.949 694 H21 PN7 101 2H11 SAT 38 -2.433 -11.576 -9.496 695 H22 PN7 101 2HS1 SAT 38 -0.262 -10.619 -10.558 Start of MODEL 2 1 H1 MET 1 H1 MET 1 0.872 15.734 2.676 2 H2 MET 1 H2 MET 1 -0.729 15.222 2.431 3 H3 MET 1 H3 MET 1 0.482 14.793 1.320 4 HA MET 1 HA MET 1 0.635 12.886 2.428 5 HB2 MET 1 HB3 MET 1 1.874 14.848 4.364 6 HB3 MET 1 HB2 MET 1 1.943 13.102 4.614 7 HG2 MET 1 HG3 MET 1 2.982 12.837 2.381 8 HG3 MET 1 HG2 MET 1 2.962 14.589 2.179 9 HE1 MET 1 HE1 MET 1 3.746 16.148 3.802 10 HE2 MET 1 HE2 MET 1 5.287 16.037 4.647 11 HE3 MET 1 HE3 MET 1 3.802 15.479 5.430 12 H GLN 2 H GLN 2 -1.709 12.656 2.660 13 HA GLN 2 HA GLN 2 -2.785 13.257 5.362 14 HB2 GLN 2 HB3 GLN 2 -4.165 13.806 3.359 15 HB3 GLN 2 HB2 GLN 2 -4.174 12.096 2.925 16 HG2 GLN 2 HG3 GLN 2 -5.290 11.537 5.030 17 HG3 GLN 2 HG2 GLN 2 -5.230 13.228 5.532 18 HE21 GLN 2 HE22 GLN 2 -7.758 12.180 5.427 19 HE22 GLN 2 HE21 GLN 2 -8.593 12.724 4.053 20 H HIS 3 H HIS 3 -2.593 11.685 6.886 21 HA HIS 3 HA HIS 3 -2.309 9.554 7.835 22 HB2 HIS 3 HB3 HIS 3 -3.909 8.691 5.403 23 HB3 HIS 3 HB2 HIS 3 -3.711 7.780 6.899 24 HD1 HIS 3 HD1 HIS 3 -6.542 8.594 6.017 25 HD2 HIS 3 HD2 HIS 3 -4.172 10.916 8.545 26 HE1 HIS 3 HE1 HIS 3 -8.126 10.082 7.321 27 HE2 HIS 3 HE2 HIS 3 -6.694 11.498 8.863 28 H ALA 4 H ALA 4 -0.335 10.575 5.885 29 HA ALA 4 HA ALA 4 0.551 8.534 4.104 30 HB1 ALA 4 HB1 ALA 4 2.633 9.737 4.016 31 HB2 ALA 4 HB2 ALA 4 2.323 10.499 5.576 32 HB3 ALA 4 HB3 ALA 4 1.350 10.937 4.172 33 H SER 5 H SER 5 1.148 9.069 7.552 34 HA SER 5 HA SER 5 3.245 7.155 7.861 35 HB2 SER 5 HB3 SER 5 2.742 7.239 10.228 36 HB3 SER 5 HB2 SER 5 2.555 8.863 9.573 37 HG SER 5 HG SER 5 0.808 7.750 10.968 38 H VAL 6 H VAL 6 -0.261 6.803 7.733 39 HA VAL 6 HA VAL 6 -0.384 4.123 8.736 40 HB VAL 6 HB VAL 6 -2.181 5.589 6.800 41 HG11 VAL 6 HG11 VAL 6 -3.831 3.770 7.653 42 HG12 VAL 6 HG12 VAL 6 -2.376 2.873 8.086 43 HG13 VAL 6 HG13 VAL 6 -2.669 3.319 6.406 44 HG21 VAL 6 HG21 VAL 6 -2.813 6.665 8.684 45 HG22 VAL 6 HG22 VAL 6 -1.828 5.604 9.689 46 HG23 VAL 6 HG23 VAL 6 -3.466 5.127 9.246 47 H ILE 7 H ILE 7 0.058 5.432 5.473 48 HA ILE 7 HA ILE 7 -0.057 2.969 4.064 49 HB ILE 7 HB ILE 7 1.622 5.418 3.455 50 HG12 ILE 7 HG13 ILE 7 -1.142 4.650 2.468 51 HG13 ILE 7 HG12 ILE 7 -0.849 5.800 3.774 52 HG21 ILE 7 HG21 ILE 7 0.649 3.134 1.709 53 HG22 ILE 7 HG22 ILE 7 2.324 3.466 2.151 54 HG23 ILE 7 HG23 ILE 7 1.446 4.589 1.111 55 HD11 ILE 7 HD11 ILE 7 -1.148 6.971 1.628 56 HD12 ILE 7 HD12 ILE 7 0.189 6.053 0.938 57 HD13 ILE 7 HD13 ILE 7 0.488 7.199 2.245 58 H ALA 8 H ALA 8 2.696 4.622 5.606 59 HA ALA 8 HA ALA 8 4.679 2.724 4.794 60 HB1 ALA 8 HB1 ALA 8 5.797 3.586 7.018 61 HB2 ALA 8 HB2 ALA 8 4.468 4.745 7.005 62 HB3 ALA 8 HB3 ALA 8 5.601 4.688 5.655 63 H GLN 9 H GLN 9 2.747 2.975 7.777 64 HA GLN 9 HA GLN 9 3.783 0.524 8.883 65 HB2 GLN 9 HB3 GLN 9 2.524 1.030 10.710 66 HB3 GLN 9 HB2 GLN 9 2.376 2.598 9.924 67 HG2 GLN 9 HG3 GLN 9 0.155 2.013 10.454 68 HG3 GLN 9 HG2 GLN 9 0.305 1.595 8.753 69 HE21 GLN 9 HE22 GLN 9 -0.918 -0.295 8.498 70 HE22 GLN 9 HE21 GLN 9 -0.784 -1.668 9.487 71 H PHE 10 H PHE 10 1.072 1.316 6.790 72 HA PHE 10 HA PHE 10 -0.315 -1.172 6.987 73 HB2 PHE 10 HB3 PHE 10 -1.172 0.939 5.903 74 HB3 PHE 10 HB2 PHE 10 -0.106 0.603 4.541 75 HD1 PHE 10 HD2 PHE 10 -3.110 -0.470 6.376 76 HD2 PHE 10 HD1 PHE 10 -0.540 -1.268 3.029 77 HE1 PHE 10 HE2 PHE 10 -4.826 -1.985 5.421 78 HE2 PHE 10 HE1 PHE 10 -2.257 -2.781 2.073 79 HZ PHE 10 HZ PHE 10 -4.398 -3.138 3.270 80 H VAL 11 H VAL 11 2.091 -0.077 4.575 81 HA VAL 11 HA VAL 11 2.258 -2.696 3.336 82 HB VAL 11 HB VAL 11 2.803 -0.459 2.238 83 HG11 VAL 11 HG11 VAL 11 5.477 -0.863 3.596 84 HG12 VAL 11 HG12 VAL 11 4.259 0.255 4.208 85 HG13 VAL 11 HG13 VAL 11 4.962 0.506 2.611 86 HG21 VAL 11 HG21 VAL 11 5.169 -1.727 1.458 87 HG22 VAL 11 HG22 VAL 11 3.574 -1.975 0.747 88 HG23 VAL 11 HG23 VAL 11 4.143 -3.043 2.030 89 H VAL 12 H VAL 12 4.242 -0.941 5.704 90 HA VAL 12 HA VAL 12 6.403 -2.778 5.832 91 HB VAL 12 HB VAL 12 5.226 -0.937 7.899 92 HG11 VAL 12 HG11 VAL 12 7.458 -2.899 8.044 93 HG12 VAL 12 HG12 VAL 12 6.415 -2.290 9.329 94 HG13 VAL 12 HG13 VAL 12 7.758 -1.308 8.743 95 HG21 VAL 12 HG21 VAL 12 6.401 -0.187 5.661 96 HG22 VAL 12 HG22 VAL 12 7.875 -0.621 6.527 97 HG23 VAL 12 HG23 VAL 12 6.805 0.621 7.176 98 H GLU 13 H GLU 13 3.331 -2.724 7.603 99 HA GLU 13 HA GLU 13 3.876 -4.870 9.379 100 HB2 GLU 13 HB3 GLU 13 1.336 -3.821 8.157 101 HB3 GLU 13 HB2 GLU 13 1.338 -5.143 9.321 102 HG2 GLU 13 HG3 GLU 13 2.742 -2.536 9.890 103 HG3 GLU 13 HG2 GLU 13 1.037 -2.771 10.255 104 H GLU 14 H GLU 14 2.976 -4.794 6.012 105 HA GLU 14 HA GLU 14 2.103 -7.503 5.759 106 HB2 GLU 14 HB3 GLU 14 1.678 -5.757 4.059 107 HB3 GLU 14 HB2 GLU 14 3.398 -5.735 3.670 108 HG2 GLU 14 HG3 GLU 14 2.221 -7.157 2.071 109 HG3 GLU 14 HG2 GLU 14 3.264 -8.154 3.084 110 H PHE 15 H PHE 15 5.359 -6.094 5.761 111 HA PHE 15 HA PHE 15 6.388 -8.891 5.514 112 HB2 PHE 15 HB3 PHE 15 8.332 -8.010 4.245 113 HB3 PHE 15 HB2 PHE 15 6.804 -7.798 3.394 114 HD1 PHE 15 HD2 PHE 15 5.720 -5.564 3.290 115 HD2 PHE 15 HD1 PHE 15 9.604 -6.125 5.034 116 HE1 PHE 15 HE2 PHE 15 6.139 -3.124 3.144 117 HE2 PHE 15 HE1 PHE 15 10.024 -3.686 4.887 118 HZ PHE 15 HZ PHE 15 8.291 -2.185 3.941 119 H LEU 16 H LEU 16 6.912 -5.669 6.944 120 HA LEU 16 HA LEU 16 8.792 -7.027 8.849 121 HB2 LEU 16 HB3 LEU 16 9.413 -4.941 7.039 122 HB3 LEU 16 HB2 LEU 16 9.388 -4.216 8.642 123 HG LEU 16 HG LEU 16 10.843 -6.113 9.439 124 HD11 LEU 16 HD11 LEU 16 10.144 -7.213 6.970 125 HD12 LEU 16 HD12 LEU 16 11.374 -7.829 8.073 126 HD13 LEU 16 HD13 LEU 16 11.829 -6.734 6.767 127 HD21 LEU 16 HD21 LEU 16 12.367 -4.471 9.147 128 HD22 LEU 16 HD22 LEU 16 11.531 -3.874 7.714 129 HD23 LEU 16 HD23 LEU 16 12.712 -5.176 7.568 130 HA PRO 17 HA PRO 17 5.629 -4.876 11.387 131 HB2 PRO 17 HB2 PRO 17 4.597 -7.192 12.515 132 HB3 PRO 17 HB3 PRO 17 3.955 -6.393 11.072 133 HG2 PRO 17 HG3 PRO 17 5.224 -8.931 11.245 134 HG3 PRO 17 HG2 PRO 17 4.608 -8.107 9.808 135 HD2 PRO 17 HD3 PRO 17 7.398 -8.291 10.799 136 HD3 PRO 17 HD2 PRO 17 6.795 -8.007 9.150 137 H ASP 18 H ASP 18 8.011 -7.341 12.159 138 HA ASP 18 HA ASP 18 7.797 -7.030 15.042 139 HB2 ASP 18 HB3 ASP 18 9.815 -8.407 15.113 140 HB3 ASP 18 HB2 ASP 18 8.672 -9.096 13.964 141 H VAL 19 H VAL 19 8.918 -5.023 12.662 142 HA VAL 19 HA VAL 19 10.907 -3.734 14.489 143 HB VAL 19 HB VAL 19 10.644 -3.453 11.476 144 HG11 VAL 19 HG11 VAL 19 13.186 -2.672 12.492 145 HG12 VAL 19 HG12 VAL 19 11.961 -1.882 13.484 146 HG13 VAL 19 HG13 VAL 19 11.964 -1.650 11.736 147 HG21 VAL 19 HG21 VAL 19 12.017 -5.400 13.177 148 HG22 VAL 19 HG22 VAL 19 13.123 -4.560 12.090 149 HG23 VAL 19 HG23 VAL 19 11.739 -5.435 11.435 150 H ALA 20 H ALA 20 10.578 -1.479 14.913 151 HA ALA 20 HA ALA 20 7.888 -0.564 14.844 152 HB1 ALA 20 HB1 ALA 20 9.280 1.768 14.983 153 HB2 ALA 20 HB2 ALA 20 10.535 0.620 15.450 154 HB3 ALA 20 HB3 ALA 20 9.030 0.703 16.366 155 HA PRO 21 HA PRO 21 7.980 0.271 10.387 156 HB2 PRO 21 HB2 PRO 21 5.391 1.521 10.559 157 HB3 PRO 21 HB3 PRO 21 5.815 -0.049 9.868 158 HG2 PRO 21 HG3 PRO 21 4.412 0.458 12.256 159 HG3 PRO 21 HG2 PRO 21 4.938 -1.101 11.611 160 HD2 PRO 21 HD3 PRO 21 5.997 0.356 13.878 161 HD3 PRO 21 HD2 PRO 21 6.421 -1.267 13.302 162 H ALA 22 H ALA 22 7.325 2.598 12.912 163 HA ALA 22 HA ALA 22 7.420 4.941 11.208 164 HB1 ALA 22 HB1 ALA 22 7.903 4.655 14.189 165 HB2 ALA 22 HB2 ALA 22 6.355 5.009 13.423 166 HB3 ALA 22 HB3 ALA 22 7.670 6.181 13.337 167 H ASP 23 H ASP 23 9.818 2.807 12.425 168 HA ASP 23 HA ASP 23 11.945 4.858 12.166 169 HB2 ASP 23 HB3 ASP 23 13.430 3.227 13.176 170 HB3 ASP 23 HB2 ASP 23 11.955 3.307 14.136 171 H VAL 24 H VAL 24 10.293 3.159 10.041 172 HA VAL 24 HA VAL 24 12.620 2.121 8.512 173 HB VAL 24 HB VAL 24 9.654 1.941 7.891 174 HG11 VAL 24 HG11 VAL 24 10.685 1.538 5.854 175 HG12 VAL 24 HG12 VAL 24 10.718 -0.085 6.545 176 HG13 VAL 24 HG13 VAL 24 12.161 0.928 6.604 177 HG21 VAL 24 HG21 VAL 24 11.538 -0.095 9.127 178 HG22 VAL 24 HG22 VAL 24 9.851 -0.382 8.700 179 HG23 VAL 24 HG23 VAL 24 10.254 0.759 9.982 180 H ASP 25 H ASP 25 13.306 3.130 6.633 181 HA ASP 25 HA ASP 25 12.596 5.877 6.229 182 HB2 ASP 25 HB3 ASP 25 14.782 4.827 5.558 183 HB3 ASP 25 HB2 ASP 25 13.932 4.015 4.243 184 H VAL 26 H VAL 26 10.297 5.900 5.968 185 HA VAL 26 HA VAL 26 8.863 4.345 4.053 186 HB VAL 26 HB VAL 26 7.064 5.895 4.369 187 HG11 VAL 26 HG11 VAL 26 7.769 4.581 6.382 188 HG12 VAL 26 HG12 VAL 26 6.984 6.106 6.794 189 HG13 VAL 26 HG13 VAL 26 8.738 5.961 6.897 190 HG21 VAL 26 HG21 VAL 26 9.263 7.815 5.173 191 HG22 VAL 26 HG22 VAL 26 7.560 8.126 5.515 192 HG23 VAL 26 HG23 VAL 26 8.113 7.983 3.846 193 H ASP 27 H ASP 27 11.362 6.317 3.382 194 HA ASP 27 HA ASP 27 10.176 7.464 0.906 195 HB2 ASP 27 HB3 ASP 27 11.570 8.927 2.404 196 HB3 ASP 27 HB2 ASP 27 12.950 7.885 2.058 197 H LEU 28 H LEU 28 11.155 4.564 1.643 198 HA LEU 28 HA LEU 28 13.208 4.162 -0.439 199 HB2 LEU 28 HB3 LEU 28 13.287 2.932 1.746 200 HB3 LEU 28 HB2 LEU 28 11.802 2.107 1.283 201 HG LEU 28 HG LEU 28 12.996 1.348 -0.822 202 HD11 LEU 28 HD11 LEU 28 15.653 1.412 0.089 203 HD12 LEU 28 HD12 LEU 28 15.047 3.049 0.335 204 HD13 LEU 28 HD13 LEU 28 14.981 2.316 -1.267 205 HD21 LEU 28 HD21 LEU 28 14.164 -0.473 0.316 206 HD22 LEU 28 HD22 LEU 28 12.678 -0.095 1.188 207 HD23 LEU 28 HD23 LEU 28 14.231 0.469 1.806 208 H ASP 29 H ASP 29 12.789 3.336 -2.446 209 HA ASP 29 HA ASP 29 10.115 3.326 -3.442 210 HB2 ASP 29 HB3 ASP 29 11.120 2.219 -5.455 211 HB3 ASP 29 HB2 ASP 29 11.993 3.668 -4.956 212 H LEU 30 H LEU 30 8.574 1.812 -3.098 213 HA LEU 30 HA LEU 30 9.138 -0.635 -1.710 214 HB2 LEU 30 HB3 LEU 30 6.666 0.069 -3.324 215 HB3 LEU 30 HB2 LEU 30 6.783 -1.180 -2.084 216 HG LEU 30 HG LEU 30 7.111 1.806 -1.669 217 HD11 LEU 30 HD11 LEU 30 4.878 -0.069 -1.484 218 HD12 LEU 30 HD12 LEU 30 4.864 1.694 -1.444 219 HD13 LEU 30 HD13 LEU 30 5.160 0.780 0.035 220 HD21 LEU 30 HD21 LEU 30 7.056 0.880 0.813 221 HD22 LEU 30 HD22 LEU 30 8.575 0.930 -0.082 222 HD23 LEU 30 HD23 LEU 30 7.682 -0.584 0.055 223 H VAL 31 H VAL 31 9.762 0.177 -4.885 224 HA VAL 31 HA VAL 31 8.921 -2.005 -6.421 225 HB VAL 31 HB VAL 31 11.507 -0.441 -6.498 226 HG11 VAL 31 HG11 VAL 31 12.291 -2.250 -7.664 227 HG12 VAL 31 HG12 VAL 31 11.327 -1.554 -8.967 228 HG13 VAL 31 HG13 VAL 31 10.672 -2.868 -7.990 229 HG21 VAL 31 HG21 VAL 31 9.492 -0.425 -8.683 230 HG22 VAL 31 HG22 VAL 31 10.427 0.907 -8.004 231 HG23 VAL 31 HG23 VAL 31 8.994 0.316 -7.162 232 H ASP 32 H ASP 32 11.744 -1.792 -4.271 233 HA ASP 32 HA ASP 32 12.837 -4.358 -4.796 234 HB2 ASP 32 HB3 ASP 32 12.716 -2.787 -2.198 235 HB3 ASP 32 HB2 ASP 32 13.700 -4.232 -2.432 236 H ASN 33 H ASN 33 10.161 -3.308 -2.782 237 HA ASN 33 HA ASN 33 9.612 -6.021 -1.803 238 HB2 ASN 33 HB3 ASN 33 8.029 -3.455 -1.532 239 HB3 ASN 33 HB2 ASN 33 7.690 -4.959 -0.679 240 HD21 ASN 33 HD22 ASN 33 9.591 -2.074 -0.618 241 HD22 ASN 33 HD21 ASN 33 10.556 -2.479 0.717 242 H GLY 34 H GLY 34 9.478 -4.985 -4.728 243 HA2 GLY 34 HA3 GLY 34 6.963 -4.837 -5.812 244 HA3 GLY 34 HA2 GLY 34 8.247 -5.763 -6.588 245 H VAL 35 H VAL 35 8.190 -7.482 -3.978 246 HA VAL 35 HA VAL 35 6.661 -9.638 -5.017 247 HB VAL 35 HB VAL 35 7.451 -8.966 -2.166 248 HG11 VAL 35 HG11 VAL 35 5.709 -11.077 -3.252 249 HG12 VAL 35 HG12 VAL 35 5.890 -10.513 -1.591 250 HG13 VAL 35 HG13 VAL 35 7.030 -11.684 -2.255 251 HG21 VAL 35 HG21 VAL 35 8.892 -9.916 -4.400 252 HG22 VAL 35 HG22 VAL 35 8.639 -11.319 -3.362 253 HG23 VAL 35 HG23 VAL 35 9.435 -9.882 -2.722 254 H ILE 36 H ILE 36 5.805 -7.007 -2.821 255 HA ILE 36 HA ILE 36 3.119 -7.924 -2.267 256 HB ILE 36 HB ILE 36 4.629 -6.134 -1.054 257 HG12 ILE 36 HG13 ILE 36 1.648 -5.775 -1.490 258 HG13 ILE 36 HG12 ILE 36 2.406 -6.817 -0.288 259 HG21 ILE 36 HG21 ILE 36 2.984 -4.298 -2.791 260 HG22 ILE 36 HG22 ILE 36 4.612 -4.777 -3.271 261 HG23 ILE 36 HG23 ILE 36 4.361 -3.899 -1.762 262 HD11 ILE 36 HD11 ILE 36 3.543 -4.760 0.645 263 HD12 ILE 36 HD12 ILE 36 1.791 -4.784 0.842 264 HD13 ILE 36 HD13 ILE 36 2.523 -3.798 -0.425 265 H ASP 37 H ASP 37 4.592 -6.130 -4.864 266 HA ASP 37 HA ASP 37 2.335 -4.719 -5.831 267 HB2 ASP 37 HB3 ASP 37 4.694 -5.863 -7.340 268 HB3 ASP 37 HB2 ASP 37 3.502 -4.780 -8.052 269 H SER 38 H SER 38 3.148 -8.135 -6.188 270 HA SER 38 HA SER 38 0.782 -8.400 -7.997 271 HB2 SER 38 2HB SER 38 3.103 -10.304 -7.632 272 HB3 SER 38 1HB SER 38 1.784 -10.484 -8.785 273 H LEU 39 H LEU 39 2.464 -10.528 -5.652 274 HA LEU 39 HA LEU 39 0.068 -12.006 -5.098 275 HB2 LEU 39 HB3 LEU 39 2.662 -11.792 -3.572 276 HB3 LEU 39 HB2 LEU 39 1.386 -12.937 -3.177 277 HG LEU 39 HG LEU 39 1.698 -13.374 -5.865 278 HD11 LEU 39 HD11 LEU 39 4.516 -13.175 -4.838 279 HD12 LEU 39 HD12 LEU 39 3.750 -11.771 -5.582 280 HD13 LEU 39 HD13 LEU 39 3.946 -13.261 -6.505 281 HD21 LEU 39 HD21 LEU 39 3.188 -15.326 -5.044 282 HD22 LEU 39 HD22 LEU 39 1.563 -15.204 -4.370 283 HD23 LEU 39 HD23 LEU 39 2.950 -14.650 -3.433 284 H GLY 40 H GLY 40 1.809 -9.569 -3.167 285 HA2 GLY 40 HA3 GLY 40 -0.200 -9.510 -1.096 286 HA3 GLY 40 HA2 GLY 40 1.069 -8.311 -1.330 287 H LEU 41 H LEU 41 0.408 -7.607 -4.009 288 HA LEU 41 HA LEU 41 -1.501 -5.556 -3.574 289 HB2 LEU 41 HB3 LEU 41 0.203 -5.601 -5.410 290 HB3 LEU 41 HB2 LEU 41 -0.766 -6.826 -6.225 291 HG LEU 41 HG LEU 41 -2.707 -5.093 -5.963 292 HD11 LEU 41 HD11 LEU 41 -1.777 -2.740 -6.122 293 HD12 LEU 41 HD12 LEU 41 -0.232 -3.398 -5.588 294 HD13 LEU 41 HD13 LEU 41 -1.641 -3.491 -4.534 295 HD21 LEU 41 HD21 LEU 41 -1.646 -5.814 -8.101 296 HD22 LEU 41 HD22 LEU 41 -0.424 -4.559 -7.886 297 HD23 LEU 41 HD23 LEU 41 -2.115 -4.114 -8.123 298 H LEU 42 H LEU 42 -1.854 -8.786 -5.018 299 HA LEU 42 HA LEU 42 -4.571 -8.504 -5.824 300 HB2 LEU 42 HB3 LEU 42 -3.067 -10.448 -6.395 301 HB3 LEU 42 HB2 LEU 42 -3.274 -11.023 -4.745 302 HG LEU 42 HG LEU 42 -5.839 -10.758 -5.297 303 HD11 LEU 42 HD11 LEU 42 -4.887 -9.853 -7.644 304 HD12 LEU 42 HD12 LEU 42 -6.432 -10.693 -7.510 305 HD13 LEU 42 HD13 LEU 42 -4.992 -11.570 -8.026 306 HD21 LEU 42 HD21 LEU 42 -3.986 -12.973 -6.201 307 HD22 LEU 42 HD22 LEU 42 -5.741 -13.125 -6.294 308 HD23 LEU 42 HD23 LEU 42 -4.957 -12.901 -4.730 309 H LYS 43 H LYS 43 -3.120 -9.512 -2.737 310 HA LYS 43 HA LYS 43 -5.612 -9.999 -1.396 311 HB2 LYS 43 HB3 LYS 43 -2.896 -9.221 -0.318 312 HB3 LYS 43 HB2 LYS 43 -4.242 -9.768 0.674 313 HG2 LYS 43 HG3 LYS 43 -4.302 -11.888 -0.645 314 HG3 LYS 43 HG2 LYS 43 -2.868 -11.345 -1.518 315 HD2 LYS 43 HD3 LYS 43 -1.664 -11.163 0.667 316 HD3 LYS 43 HD2 LYS 43 -3.080 -11.848 1.464 317 HE2 LYS 43 HE3 LYS 43 -2.732 -13.689 -0.481 318 HE3 LYS 43 HE2 LYS 43 -1.060 -13.169 -0.268 319 HZ1 LYS 43 HZ1 LYS 43 -1.542 -13.457 2.209 320 HZ2 LYS 43 HZ2 LYS 43 -1.319 -14.857 1.279 321 HZ3 LYS 43 HZ3 LYS 43 -2.887 -14.369 1.714 322 H VAL 44 H VAL 44 -3.575 -7.131 -1.802 323 HA VAL 44 HA VAL 44 -4.995 -5.435 0.021 324 HB VAL 44 HB VAL 44 -3.342 -4.810 -2.438 325 HG11 VAL 44 HG11 VAL 44 -4.257 -2.743 -2.286 326 HG12 VAL 44 HG12 VAL 44 -3.307 -2.576 -0.810 327 HG13 VAL 44 HG13 VAL 44 -4.991 -3.091 -0.722 328 HG21 VAL 44 HG21 VAL 44 -1.553 -4.490 -0.932 329 HG22 VAL 44 HG22 VAL 44 -2.366 -5.922 -0.300 330 HG23 VAL 44 HG23 VAL 44 -2.631 -4.351 0.456 331 H ILE 45 H ILE 45 -5.317 -5.808 -3.532 332 HA ILE 45 HA ILE 45 -7.442 -3.936 -3.806 333 HB ILE 45 HB ILE 45 -6.880 -6.421 -5.453 334 HG12 ILE 45 HG13 ILE 45 -4.919 -4.984 -5.410 335 HG13 ILE 45 HG12 ILE 45 -5.718 -4.782 -6.965 336 HG21 ILE 45 HG21 ILE 45 -8.826 -4.220 -5.635 337 HG22 ILE 45 HG22 ILE 45 -8.871 -5.829 -6.354 338 HG23 ILE 45 HG23 ILE 45 -7.943 -4.543 -7.125 339 HD11 ILE 45 HD11 ILE 45 -5.333 -2.566 -6.353 340 HD12 ILE 45 HD12 ILE 45 -5.591 -2.888 -4.639 341 HD13 ILE 45 HD13 ILE 45 -6.967 -2.814 -5.739 342 H ALA 46 H ALA 46 -7.475 -7.436 -3.158 343 HA ALA 46 HA ALA 46 -10.301 -7.773 -3.292 344 HB1 ALA 46 HB1 ALA 46 -9.953 -9.854 -2.238 345 HB2 ALA 46 HB2 ALA 46 -8.564 -9.260 -1.328 346 HB3 ALA 46 HB3 ALA 46 -8.423 -9.553 -3.061 347 H TRP 47 H TRP 47 -8.182 -6.837 -0.596 348 HA TRP 47 HA TRP 47 -10.402 -6.655 1.286 349 HB2 TRP 47 HB3 TRP 47 -8.490 -7.037 2.488 350 HB3 TRP 47 HB2 TRP 47 -7.467 -6.194 1.327 351 HD1 TRP 47 HD1 TRP 47 -9.860 -5.516 4.247 352 HE1 TRP 47 HE1 TRP 47 -9.335 -3.180 5.195 353 HE3 TRP 47 HE3 TRP 47 -6.436 -3.913 0.832 354 HZ2 TRP 47 HZ2 TRP 47 -7.681 -0.926 4.590 355 HZ3 TRP 47 HZ3 TRP 47 -5.396 -1.678 1.033 356 HH2 TRP 47 HH2 TRP 47 -6.014 -0.183 2.907 357 H LEU 48 H LEU 48 -8.328 -4.287 -0.395 358 HA LEU 48 HA LEU 48 -9.621 -1.962 0.617 359 HB2 LEU 48 HB3 LEU 48 -7.399 -2.058 -0.578 360 HB3 LEU 48 HB2 LEU 48 -8.287 -2.251 -2.081 361 HG LEU 48 HG LEU 48 -9.569 -0.116 -1.295 362 HD11 LEU 48 HD11 LEU 48 -8.679 1.103 0.408 363 HD12 LEU 48 HD12 LEU 48 -7.024 0.709 -0.056 364 HD13 LEU 48 HD13 LEU 48 -7.968 -0.436 0.894 365 HD21 LEU 48 HD21 LEU 48 -8.395 0.316 -3.212 366 HD22 LEU 48 HD22 LEU 48 -6.940 -0.480 -2.614 367 HD23 LEU 48 HD23 LEU 48 -7.313 1.169 -2.111 368 H GLU 49 H GLU 49 -10.271 -3.887 -2.320 369 HA GLU 49 HA GLU 49 -12.257 -2.103 -3.361 370 HB2 GLU 49 HB3 GLU 49 -12.727 -3.794 -4.933 371 HB3 GLU 49 HB2 GLU 49 -11.033 -4.037 -4.556 372 HG2 GLU 49 HG3 GLU 49 -11.756 -5.730 -2.840 373 HG3 GLU 49 HG2 GLU 49 -13.388 -5.573 -3.474 374 H ASP 50 H ASP 50 -12.423 -4.832 -1.119 375 HA ASP 50 HA ASP 50 -15.273 -5.042 -1.054 376 HB2 ASP 50 HB3 ASP 50 -13.625 -6.707 -0.108 377 HB3 ASP 50 HB2 ASP 50 -13.390 -5.594 1.237 378 H ARG 51 H ARG 51 -13.006 -3.072 0.837 379 HA ARG 51 HA ARG 51 -14.949 -2.033 2.655 380 HB2 ARG 51 HB3 ARG 51 -12.275 -0.974 1.729 381 HB3 ARG 51 HB2 ARG 51 -13.233 -0.207 2.992 382 HG2 ARG 51 HG3 ARG 51 -13.250 -2.387 4.228 383 HG3 ARG 51 HG2 ARG 51 -12.156 -3.038 3.007 384 HD2 ARG 51 HD3 ARG 51 -10.830 -2.276 4.887 385 HD3 ARG 51 HD2 ARG 51 -10.557 -1.175 3.536 386 HE ARG 51 HE ARG 51 -12.568 0.093 4.851 387 HH11 ARG 51 HH22 ARG 51 -9.662 -1.437 5.907 388 HH12 ARG 51 HH21 ARG 51 -9.457 -0.398 7.278 389 HH21 ARG 51 HH11 ARG 51 -12.316 1.456 6.635 390 HH22 ARG 51 HH12 ARG 51 -10.959 1.239 7.690 391 H PHE 52 H PHE 52 -13.765 -0.741 -0.480 392 HA PHE 52 HA PHE 52 -15.844 1.384 -0.240 393 HB2 PHE 52 HB3 PHE 52 -13.355 1.165 -1.946 394 HB3 PHE 52 HB2 PHE 52 -14.549 2.446 -2.120 395 HD1 PHE 52 HD2 PHE 52 -14.907 4.103 -0.338 396 HD2 PHE 52 HD1 PHE 52 -11.894 1.060 -0.009 397 HE1 PHE 52 HE2 PHE 52 -13.859 5.344 1.535 398 HE2 PHE 52 HE1 PHE 52 -10.846 2.301 1.864 399 HZ PHE 52 HZ PHE 52 -11.829 4.444 2.636 400 H GLY 53 H GLY 53 -15.351 -1.606 -1.677 401 HA2 GLY 53 HA3 GLY 53 -16.565 -2.742 -3.334 402 HA3 GLY 53 HA2 GLY 53 -17.743 -1.431 -3.243 403 H ILE 54 H ILE 54 -14.313 -1.057 -4.062 404 HA ILE 54 HA ILE 54 -15.171 0.182 -6.627 405 HB ILE 54 HB ILE 54 -12.426 0.085 -5.339 406 HG12 ILE 54 HG13 ILE 54 -14.390 2.389 -5.390 407 HG13 ILE 54 HG12 ILE 54 -14.272 1.265 -4.036 408 HG21 ILE 54 HG21 ILE 54 -12.420 0.490 -7.780 409 HG22 ILE 54 HG22 ILE 54 -11.936 1.935 -6.893 410 HG23 ILE 54 HG23 ILE 54 -13.564 1.813 -7.560 411 HD11 ILE 54 HD11 ILE 54 -12.882 3.226 -3.587 412 HD12 ILE 54 HD12 ILE 54 -12.037 3.005 -5.119 413 HD13 ILE 54 HD13 ILE 54 -11.850 1.816 -3.829 414 H ALA 55 H ALA 55 -15.021 -0.972 -8.497 415 HA ALA 55 HA ALA 55 -14.025 -3.653 -8.572 416 HB1 ALA 55 HB1 ALA 55 -15.216 -1.758 -10.434 417 HB2 ALA 55 HB2 ALA 55 -15.298 -3.520 -10.432 418 HB3 ALA 55 HB3 ALA 55 -13.940 -2.701 -11.204 419 H ALA 56 H ALA 56 -12.006 -4.451 -9.095 420 HA ALA 56 HA ALA 56 -9.731 -2.719 -8.891 421 HB1 ALA 56 HB1 ALA 56 -9.767 -5.190 -8.358 422 HB2 ALA 56 HB2 ALA 56 -8.407 -4.685 -9.362 423 HB3 ALA 56 HB3 ALA 56 -9.789 -5.499 -10.094 424 H ASP 57 H ASP 57 -11.479 -4.094 -11.628 425 HA ASP 57 HA ASP 57 -9.645 -3.425 -13.693 426 HB2 ASP 57 HB3 ASP 57 -12.661 -3.608 -13.723 427 HB3 ASP 57 HB2 ASP 57 -11.673 -3.451 -15.174 428 H ASP 58 H ASP 58 -12.025 -1.480 -11.980 429 HA ASP 58 HA ASP 58 -12.292 0.716 -13.680 430 HB2 ASP 58 HB3 ASP 58 -12.034 0.652 -10.672 431 HB3 ASP 58 HB2 ASP 58 -12.522 2.083 -11.576 432 H VAL 59 H VAL 59 -9.571 -0.076 -11.552 433 HA VAL 59 HA VAL 59 -8.020 2.081 -12.930 434 HB VAL 59 HB VAL 59 -6.848 2.538 -10.829 435 HG11 VAL 59 HG11 VAL 59 -9.821 2.538 -10.267 436 HG12 VAL 59 HG12 VAL 59 -9.071 3.656 -11.406 437 HG13 VAL 59 HG13 VAL 59 -8.614 3.693 -9.703 438 HG21 VAL 59 HG21 VAL 59 -8.431 1.311 -8.875 439 HG22 VAL 59 HG22 VAL 59 -6.784 0.859 -9.316 440 HG23 VAL 59 HG23 VAL 59 -8.154 0.044 -10.071 441 H GLU 60 H GLU 60 -5.778 1.600 -13.242 442 HA GLU 60 HA GLU 60 -5.078 -1.288 -12.860 443 HB2 GLU 60 HB3 GLU 60 -5.452 -0.625 -15.250 444 HB3 GLU 60 HB2 GLU 60 -4.142 0.539 -15.090 445 HG2 GLU 60 HG3 GLU 60 -2.623 -1.318 -14.443 446 HG3 GLU 60 HG2 GLU 60 -3.935 -2.453 -14.736 447 H LEU 61 H LEU 61 -3.107 -1.688 -11.891 448 HA LEU 61 HA LEU 61 -1.527 0.705 -11.083 449 HB2 LEU 61 HB3 LEU 61 -1.476 -2.082 -9.887 450 HB3 LEU 61 HB2 LEU 61 -0.685 -0.646 -9.243 451 HG LEU 61 HG LEU 61 -2.723 -0.968 -7.992 452 HD11 LEU 61 HD11 LEU 61 -2.068 1.367 -8.959 453 HD12 LEU 61 HD12 LEU 61 -3.661 1.168 -8.229 454 HD13 LEU 61 HD13 LEU 61 -3.488 1.154 -9.984 455 HD21 LEU 61 HD21 LEU 61 -4.541 -0.631 -10.306 456 HD22 LEU 61 HD22 LEU 61 -4.710 -1.656 -8.882 457 HD23 LEU 61 HD23 LEU 61 -3.708 -2.183 -10.232 458 H SER 62 H SER 62 0.681 0.790 -11.542 459 HA SER 62 HA SER 62 1.814 -1.502 -13.072 460 HB2 SER 62 HB3 SER 62 1.266 1.125 -14.045 461 HB3 SER 62 HB2 SER 62 3.015 0.939 -13.949 462 HG SER 62 HG SER 62 1.377 -0.035 -15.767 463 HA PRO 63 HA PRO 63 5.422 -1.399 -10.541 464 HB2 PRO 63 HB2 PRO 63 7.128 -0.608 -12.833 465 HB3 PRO 63 HB3 PRO 63 7.257 -2.015 -11.768 466 HG2 PRO 63 HG3 PRO 63 6.364 -2.160 -14.310 467 HG3 PRO 63 HG2 PRO 63 5.852 -3.268 -13.029 468 HD2 PRO 63 HD3 PRO 63 4.323 -1.102 -14.341 469 HD3 PRO 63 HD2 PRO 63 3.742 -2.534 -13.466 470 H GLU 64 H GLU 64 5.109 1.295 -12.809 471 HA GLU 64 HA GLU 64 6.890 3.095 -11.458 472 HB2 GLU 64 HB3 GLU 64 4.498 3.650 -13.217 473 HB3 GLU 64 HB2 GLU 64 5.660 4.866 -12.710 474 HG2 GLU 64 HG3 GLU 64 7.465 3.541 -13.770 475 HG3 GLU 64 HG2 GLU 64 6.258 2.393 -14.339 476 H HIS 65 H HIS 65 3.525 2.223 -10.979 477 HA HIS 65 HA HIS 65 2.840 4.416 -9.245 478 HB2 HIS 65 HB3 HIS 65 1.187 2.903 -10.375 479 HB3 HIS 65 HB2 HIS 65 1.672 1.617 -9.271 480 HD1 HIS 65 HD1 HIS 65 0.717 1.661 -6.919 481 HD2 HIS 65 HD2 HIS 65 -0.113 5.153 -9.044 482 HE1 HIS 65 HE1 HIS 65 -0.928 2.983 -5.515 483 HE2 HIS 65 HE2 HIS 65 -1.437 5.111 -6.798 484 H PHE 66 H PHE 66 4.535 1.399 -8.755 485 HA PHE 66 HA PHE 66 4.422 1.752 -5.805 486 HB2 PHE 66 HB3 PHE 66 5.651 -0.484 -7.449 487 HB3 PHE 66 HB2 PHE 66 5.413 -0.482 -5.700 488 HD1 PHE 66 HD1 PHE 66 3.141 -0.612 -4.732 489 HD2 PHE 66 HD2 PHE 66 3.798 -0.803 -8.973 490 HE1 PHE 66 HE1 PHE 66 0.829 -1.449 -5.054 491 HE2 PHE 66 HE2 PHE 66 1.488 -1.643 -9.294 492 HZ PHE 66 HZ PHE 66 0.002 -1.964 -7.337 493 H ARG 67 H ARG 67 6.184 3.036 -8.199 494 HA ARG 67 HA ARG 67 8.895 2.545 -7.612 495 HB2 ARG 67 HB3 ARG 67 8.101 3.905 -9.532 496 HB3 ARG 67 HB2 ARG 67 7.633 5.184 -8.418 497 HG2 ARG 67 HG3 ARG 67 9.759 5.850 -9.214 498 HG3 ARG 67 HG2 ARG 67 10.094 5.143 -7.639 499 HD2 ARG 67 HD3 ARG 67 10.795 3.052 -8.663 500 HD3 ARG 67 HD2 ARG 67 10.309 3.631 -10.256 501 HE ARG 67 HE ARG 67 12.317 5.292 -8.900 502 HH11 ARG 67 HH22 ARG 67 11.591 2.676 -11.024 503 HH12 ARG 67 HH21 ARG 67 13.112 2.748 -11.849 504 HH21 ARG 67 HH11 ARG 67 14.308 5.402 -9.965 505 HH22 ARG 67 HH12 ARG 67 14.651 4.292 -11.249 506 H SER 68 H SER 68 6.596 4.715 -6.012 507 HA SER 68 HA SER 68 8.438 4.827 -3.696 508 HB2 SER 68 HB3 SER 68 7.421 7.253 -5.179 509 HB3 SER 68 HB2 SER 68 8.063 7.328 -3.541 510 HG SER 68 HG SER 68 9.853 6.002 -4.740 511 H ILE 69 H ILE 69 7.359 5.252 -1.717 512 HA ILE 69 HA ILE 69 4.638 4.409 -1.558 513 HB ILE 69 HB ILE 69 6.305 5.933 0.464 514 HG12 ILE 69 HG13 ILE 69 5.830 2.962 0.208 515 HG13 ILE 69 HG12 ILE 69 7.273 3.770 -0.384 516 HG21 ILE 69 HG21 ILE 69 4.489 5.847 1.770 517 HG22 ILE 69 HG22 ILE 69 4.458 4.093 1.594 518 HG23 ILE 69 HG23 ILE 69 3.579 5.110 0.453 519 HD11 ILE 69 HD11 ILE 69 6.793 4.631 2.303 520 HD12 ILE 69 HD12 ILE 69 8.169 3.724 1.677 521 HD13 ILE 69 HD13 ILE 69 6.742 2.869 2.262 522 H ARG 70 H ARG 70 6.146 7.621 -1.596 523 HA ARG 70 HA ARG 70 3.847 9.131 -0.867 524 HB2 ARG 70 HB3 ARG 70 6.157 9.867 -2.689 525 HB3 ARG 70 HB2 ARG 70 4.984 11.016 -2.045 526 HG2 ARG 70 HG3 ARG 70 5.627 10.313 0.265 527 HG3 ARG 70 HG2 ARG 70 6.878 9.283 -0.433 528 HD2 ARG 70 HD3 ARG 70 6.667 12.292 -0.735 529 HD3 ARG 70 HD2 ARG 70 7.858 11.424 0.233 530 HE ARG 70 HE ARG 70 8.302 10.358 -2.224 531 HH11 ARG 70 HH22 ARG 70 7.803 13.585 -1.118 532 HH12 ARG 70 HH21 ARG 70 8.779 14.301 -2.356 533 HH21 ARG 70 HH11 ARG 70 9.579 11.274 -3.847 534 HH22 ARG 70 HH12 ARG 70 9.786 12.993 -3.901 535 H SER 71 H SER 71 4.943 7.978 -4.059 536 HA SER 71 HA SER 71 2.980 9.347 -5.602 537 HB2 SER 71 HB3 SER 71 4.192 6.624 -6.154 538 HB3 SER 71 HB2 SER 71 3.461 7.704 -7.334 539 HG SER 71 HG SER 71 5.100 9.231 -6.785 540 H ILE 72 H ILE 72 2.911 6.165 -4.009 541 HA ILE 72 HA ILE 72 0.311 5.422 -4.959 542 HB ILE 72 HB ILE 72 1.782 4.574 -2.446 543 HG12 ILE 72 HG13 ILE 72 1.668 3.263 -5.180 544 HG13 ILE 72 HG12 ILE 72 3.028 4.223 -4.597 545 HG21 ILE 72 HG21 ILE 72 -0.835 3.988 -3.462 546 HG22 ILE 72 HG22 ILE 72 -0.056 3.366 -2.009 547 HG23 ILE 72 HG23 ILE 72 0.153 2.532 -3.548 548 HD11 ILE 72 HD11 ILE 72 2.431 1.459 -4.071 549 HD12 ILE 72 HD12 ILE 72 2.412 2.355 -2.552 550 HD13 ILE 72 HD13 ILE 72 3.845 2.391 -3.580 551 H ASP 73 H ASP 73 1.444 7.132 -2.065 552 HA ASP 73 HA ASP 73 -0.997 7.202 -0.635 553 HB2 ASP 73 HB3 ASP 73 1.246 7.947 0.224 554 HB3 ASP 73 HB2 ASP 73 1.076 9.409 -0.748 555 H ALA 74 H ALA 74 0.229 9.426 -3.138 556 HA ALA 74 HA ALA 74 -1.972 11.255 -2.948 557 HB1 ALA 74 HB1 ALA 74 0.399 11.297 -4.263 558 HB2 ALA 74 HB2 ALA 74 -0.941 12.373 -4.656 559 HB3 ALA 74 HB3 ALA 74 -0.686 10.903 -5.597 560 H PHE 75 H PHE 75 -1.431 8.382 -4.964 561 HA PHE 75 HA PHE 75 -3.748 8.682 -6.595 562 HB2 PHE 75 HB3 PHE 75 -1.899 7.053 -7.019 563 HB3 PHE 75 HB2 PHE 75 -2.496 6.093 -5.668 564 HD1 PHE 75 HD1 PHE 75 -3.289 7.356 -9.054 565 HD2 PHE 75 HD2 PHE 75 -4.508 4.775 -5.844 566 HE1 PHE 75 HE1 PHE 75 -4.960 6.291 -10.545 567 HE2 PHE 75 HE2 PHE 75 -6.179 3.710 -7.335 568 HZ PHE 75 HZ PHE 75 -6.405 4.468 -9.685 569 H VAL 76 H VAL 76 -3.305 6.784 -3.588 570 HA VAL 76 HA VAL 76 -6.064 6.025 -3.414 571 HB VAL 76 HB VAL 76 -3.846 6.172 -1.362 572 HG11 VAL 76 HG11 VAL 76 -5.544 4.567 -0.155 573 HG12 VAL 76 HG12 VAL 76 -6.741 5.427 -1.123 574 HG13 VAL 76 HG13 VAL 76 -5.721 6.313 0.009 575 HG21 VAL 76 HG21 VAL 76 -3.944 4.485 -3.373 576 HG22 VAL 76 HG22 VAL 76 -5.205 3.704 -2.419 577 HG23 VAL 76 HG23 VAL 76 -3.579 3.877 -1.759 578 H VAL 77 H VAL 77 -4.197 8.647 -1.821 579 HA VAL 77 HA VAL 77 -6.336 9.678 -0.278 580 HB VAL 77 HB VAL 77 -3.906 10.983 -1.515 581 HG11 VAL 77 HG11 VAL 77 -4.602 12.731 0.383 582 HG12 VAL 77 HG12 VAL 77 -6.214 12.152 -0.036 583 HG13 VAL 77 HG13 VAL 77 -5.188 12.877 -1.273 584 HG21 VAL 77 HG21 VAL 77 -3.745 9.269 0.382 585 HG22 VAL 77 HG22 VAL 77 -4.581 10.452 1.388 586 HG23 VAL 77 HG23 VAL 77 -3.005 10.839 0.697 587 H GLY 78 H GLY 78 -5.383 10.306 -3.634 588 HA2 GLY 78 HA3 GLY 78 -7.165 12.438 -4.170 589 HA3 GLY 78 HA2 GLY 78 -6.584 11.297 -5.382 590 H ALA 79 H ALA 79 -7.739 8.938 -4.043 591 HA ALA 79 HA ALA 79 -10.570 9.435 -4.828 592 HB1 ALA 79 HB1 ALA 79 -9.555 6.670 -4.415 593 HB2 ALA 79 HB2 ALA 79 -8.920 7.561 -5.798 594 HB3 ALA 79 HB3 ALA 79 -10.656 7.292 -5.644 595 H THR 80 H THR 80 -8.728 7.576 -2.380 596 HA THR 80 HA THR 80 -10.831 8.256 -0.410 597 HB THR 80 HB THR 80 -11.302 5.999 0.198 598 HG1 THR 80 HG1 THR 80 -9.897 4.484 -0.119 599 HG21 THR 80 HG21 THR 80 -12.395 6.808 -1.899 600 HG22 THR 80 HG22 THR 80 -12.202 5.056 -1.853 601 HG23 THR 80 HG23 THR 80 -11.106 6.038 -2.824 602 H THR 81 H THR 81 -10.105 7.970 1.796 603 HA THR 81 HA THR 81 -7.228 7.297 2.117 604 HB THR 81 HB THR 81 -7.187 9.685 1.965 605 HG1 THR 81 HG1 THR 81 -6.934 10.181 4.350 606 HG21 THR 81 HG21 THR 81 -9.084 10.833 2.315 607 HG22 THR 81 HG22 THR 81 -8.895 10.561 4.047 608 HG23 THR 81 HG23 THR 81 -9.830 9.426 3.074 609 HA PRO 82 HA PRO 82 -9.686 5.449 5.522 610 HB2 PRO 82 HB2 PRO 82 -9.038 2.882 5.110 611 HB3 PRO 82 HB3 PRO 82 -10.211 3.711 4.068 612 HG2 PRO 82 HG3 PRO 82 -7.404 2.953 3.518 613 HG3 PRO 82 HG2 PRO 82 -8.776 3.097 2.410 614 HD2 PRO 82 HD3 PRO 82 -6.726 5.037 2.864 615 HD3 PRO 82 HD2 PRO 82 -8.189 5.234 1.873 616 HA PRO 83 HA PRO 83 -5.703 5.265 7.812 617 HB2 PRO 83 HB2 PRO 83 -6.591 6.342 10.132 618 HB3 PRO 83 HB3 PRO 83 -6.200 7.339 8.718 619 HG2 PRO 83 HG3 PRO 83 -8.843 6.520 9.781 620 HG3 PRO 83 HG2 PRO 83 -8.359 8.024 8.984 621 HD2 PRO 83 HD3 PRO 83 -9.718 5.907 7.752 622 HD3 PRO 83 HD2 PRO 83 -8.853 7.206 6.905 623 H VAL 84 H VAL 84 -5.049 3.428 8.897 624 HA VAL 84 HA VAL 84 -7.030 2.068 10.671 625 HB VAL 84 HB VAL 84 -6.913 0.938 8.434 626 HG11 VAL 84 HG11 VAL 84 -4.944 0.315 7.490 627 HG12 VAL 84 HG12 VAL 84 -4.271 -0.224 9.029 628 HG13 VAL 84 HG13 VAL 84 -4.227 1.485 8.598 629 HG21 VAL 84 HG21 VAL 84 -5.880 -0.525 10.878 630 HG22 VAL 84 HG22 VAL 84 -6.392 -1.347 9.405 631 HG23 VAL 84 HG23 VAL 84 -7.552 -0.398 10.333 632 H GLU 85 H GLU 85 -6.139 1.216 12.544 633 HA GLU 85 HA GLU 85 -3.580 2.191 13.398 634 HB2 GLU 85 HB3 GLU 85 -5.348 0.010 14.547 635 HB3 GLU 85 HB2 GLU 85 -3.943 0.692 15.367 636 HG2 GLU 85 HG3 GLU 85 -6.354 2.284 14.440 637 HG3 GLU 85 HG2 GLU 85 -6.062 1.767 16.101 638 H ALA 86 H ALA 86 -4.639 -0.908 12.056 639 HA ALA 86 HA ALA 86 -1.785 -1.612 11.647 640 HB1 ALA 86 HB1 ALA 86 -2.247 -3.944 12.457 641 HB2 ALA 86 HB2 ALA 86 -3.812 -3.382 13.044 642 HB3 ALA 86 HB3 ALA 86 -2.326 -2.731 13.735 643 H LYS 87 H LYS 87 -1.537 -3.330 10.008 644 HA LYS 87 HA LYS 87 -3.379 -3.002 7.814 645 HB2 LYS 87 HB3 LYS 87 -0.891 -3.600 7.673 646 HB3 LYS 87 HB2 LYS 87 -1.367 -5.243 8.104 647 HG2 LYS 87 HG3 LYS 87 -2.942 -5.249 6.162 648 HG3 LYS 87 HG2 LYS 87 -2.326 -3.662 5.702 649 HD2 LYS 87 HD3 LYS 87 0.014 -4.813 5.782 650 HD3 LYS 87 HD2 LYS 87 -0.904 -6.314 5.678 651 HE2 LYS 87 HE3 LYS 87 -0.700 -4.086 3.668 652 HE3 LYS 87 HE2 LYS 87 -0.525 -5.822 3.420 653 HZ1 LYS 87 HZ1 LYS 87 -2.723 -4.513 2.793 654 HZ2 LYS 87 HZ2 LYS 87 -3.101 -4.880 4.406 655 HZ3 LYS 87 HZ3 LYS 87 -2.747 -6.131 3.313 656 H LEU 88 H LEU 88 -5.092 -4.303 7.191 657 HA LEU 88 HA LEU 88 -5.988 -6.322 9.147 658 HB2 LEU 88 HB3 LEU 88 -7.323 -5.391 6.586 659 HB3 LEU 88 HB2 LEU 88 -8.073 -6.326 7.880 660 HG LEU 88 HG LEU 88 -6.997 -3.499 8.097 661 HD11 LEU 88 HD11 LEU 88 -9.397 -4.321 7.084 662 HD12 LEU 88 HD12 LEU 88 -9.152 -2.780 7.905 663 HD13 LEU 88 HD13 LEU 88 -9.793 -4.161 8.795 664 HD21 LEU 88 HD21 LEU 88 -8.242 -3.797 10.404 665 HD22 LEU 88 HD22 LEU 88 -6.585 -4.373 10.224 666 HD23 LEU 88 HD23 LEU 88 -7.930 -5.510 10.126 667 H GLN 89 H GLN 89 -6.115 -8.526 8.714 668 HA GLN 89 HA GLN 89 -4.721 -9.423 6.233 669 HB2 GLN 89 HB3 GLN 89 -5.220 -10.854 8.861 670 HB3 GLN 89 HB2 GLN 89 -4.391 -11.560 7.473 671 HG2 GLN 89 HG3 GLN 89 -2.673 -9.809 7.583 672 HG3 GLN 89 HG2 GLN 89 -3.510 -9.057 8.942 673 HE21 GLN 89 HE22 GLN 89 -0.829 -9.987 9.234 674 HE22 GLN 89 HE21 GLN 89 -0.829 -11.322 10.284 675 H1 PN7 101 3HO SAT 38 0.624 -4.422 -13.350 676 H2 PN7 101 1H1 SAT 38 4.277 -6.591 -10.506 677 H3 PN7 101 2H1 SAT 38 2.592 -6.742 -10.008 678 H5 PN7 101 3HE1 SAT 38 4.765 -5.947 -12.805 679 H6 PN7 101 1HE1 SAT 38 3.696 -4.816 -13.635 680 H7 PN7 101 2HE1 SAT 38 3.376 -6.549 -13.711 681 H8 PN7 101 2HE2 SAT 38 2.562 -3.519 -11.727 682 H9 PN7 101 3HE2 SAT 38 4.152 -4.043 -11.172 683 H10 PN7 101 1HE2 SAT 38 2.734 -4.303 -10.156 684 H11 PN7 101 3H SAT 38 1.150 -6.843 -12.250 685 H12 PN7 101 5H SAT 38 0.233 -3.152 -11.418 686 H13 PN7 101 2H6 SAT 38 -1.347 -3.872 -13.275 687 H14 PN7 101 1H6 SAT 38 -2.204 -3.626 -11.754 688 H15 PN7 101 1H7 SAT 38 -1.090 -6.278 -12.723 689 H16 PN7 101 2H7 SAT 38 -2.787 -5.803 -12.786 690 H17 PN7 101 9H SAT 38 -0.500 -7.410 -10.749 691 H18 PN7 101 2H10 SAT 38 -3.055 -7.851 -9.255 692 H19 PN7 101 1H10 SAT 38 -1.487 -8.435 -8.698 693 H20 PN7 101 1H11 SAT 38 -3.353 -9.650 -10.593 694 H21 PN7 101 2H11 SAT 38 -1.996 -10.380 -9.734 695 H22 PN7 101 2HS1 SAT 38 -0.864 -10.345 -11.939 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -0.952 9.589 8.254 2 H2 MET 1 H2 MET 1 -0.759 8.762 6.782 3 H3 MET 1 H3 MET 1 -1.717 8.095 8.016 4 HA MET 1 HA MET 1 -2.602 10.713 7.312 5 HB2 MET 1 HB3 MET 1 -2.593 8.557 5.174 6 HB3 MET 1 HB2 MET 1 -3.465 10.088 5.077 7 HG2 MET 1 HG3 MET 1 -1.285 11.290 5.336 8 HG3 MET 1 HG2 MET 1 -0.462 9.731 5.274 9 HE1 MET 1 HE1 MET 1 0.157 12.058 2.515 10 HE2 MET 1 HE2 MET 1 0.814 10.456 2.187 11 HE3 MET 1 HE3 MET 1 0.785 11.083 3.841 12 H GLN 2 H GLN 2 -4.848 9.284 5.825 13 HA GLN 2 HA GLN 2 -6.554 8.806 8.048 14 HB2 GLN 2 HB3 GLN 2 -6.769 7.785 5.197 15 HB3 GLN 2 HB2 GLN 2 -8.072 7.726 6.385 16 HG2 GLN 2 HG3 GLN 2 -7.999 10.184 6.594 17 HG3 GLN 2 HG2 GLN 2 -6.697 10.246 5.407 18 HE21 GLN 2 HE22 GLN 2 -9.090 11.613 4.836 19 HE22 GLN 2 HE21 GLN 2 -9.919 10.807 3.593 20 H HIS 3 H HIS 3 -4.470 6.661 6.189 21 HA HIS 3 HA HIS 3 -4.417 4.708 8.330 22 HB2 HIS 3 HB3 HIS 3 -6.541 4.440 6.517 23 HB3 HIS 3 HB2 HIS 3 -5.340 3.266 5.978 24 HD1 HIS 3 HD1 HIS 3 -6.461 4.376 9.464 25 HD2 HIS 3 HD2 HIS 3 -5.925 0.888 7.241 26 HE1 HIS 3 HE1 HIS 3 -7.006 2.446 11.014 27 HE2 HIS 3 HE2 HIS 3 -6.683 0.319 9.671 28 H ALA 4 H ALA 4 -2.677 6.330 6.497 29 HA ALA 4 HA ALA 4 -1.380 4.651 4.593 30 HB1 ALA 4 HB1 ALA 4 -0.993 7.036 4.558 31 HB2 ALA 4 HB2 ALA 4 0.549 6.245 4.883 32 HB3 ALA 4 HB3 ALA 4 -0.348 7.003 6.199 33 H SER 5 H SER 5 -0.885 5.065 8.079 34 HA SER 5 HA SER 5 1.580 3.673 8.294 35 HB2 SER 5 HB3 SER 5 0.459 4.951 10.146 36 HB3 SER 5 HB2 SER 5 -0.690 3.626 10.302 37 HG SER 5 HG SER 5 0.805 2.911 11.624 38 H VAL 6 H VAL 6 -1.757 2.455 8.276 39 HA VAL 6 HA VAL 6 -1.049 -0.287 8.772 40 HB VAL 6 HB VAL 6 -3.449 0.934 7.398 41 HG11 VAL 6 HG11 VAL 6 -2.813 -1.917 8.177 42 HG12 VAL 6 HG12 VAL 6 -3.319 -1.313 6.599 43 HG13 VAL 6 HG13 VAL 6 -4.467 -1.353 7.938 44 HG21 VAL 6 HG21 VAL 6 -4.087 -0.321 9.851 45 HG22 VAL 6 HG22 VAL 6 -4.069 1.410 9.513 46 HG23 VAL 6 HG23 VAL 6 -2.626 0.621 10.149 47 H ILE 7 H ILE 7 -1.379 1.639 5.826 48 HA ILE 7 HA ILE 7 -1.182 -0.478 3.946 49 HB ILE 7 HB ILE 7 -0.144 2.363 3.734 50 HG12 ILE 7 HG13 ILE 7 -2.773 1.147 2.824 51 HG13 ILE 7 HG12 ILE 7 -2.579 2.113 4.287 52 HG21 ILE 7 HG21 ILE 7 -0.469 1.939 1.269 53 HG22 ILE 7 HG22 ILE 7 -0.731 0.237 1.650 54 HG23 ILE 7 HG23 ILE 7 0.828 0.987 1.991 55 HD11 ILE 7 HD11 ILE 7 -2.895 3.954 3.032 56 HD12 ILE 7 HD12 ILE 7 -2.866 3.002 1.547 57 HD13 ILE 7 HD13 ILE 7 -1.360 3.604 2.238 58 H ALA 8 H ALA 8 1.406 1.562 5.340 59 HA ALA 8 HA ALA 8 3.561 0.157 4.070 60 HB1 ALA 8 HB1 ALA 8 4.593 1.949 4.976 61 HB2 ALA 8 HB2 ALA 8 4.539 1.102 6.522 62 HB3 ALA 8 HB3 ALA 8 3.253 2.228 6.087 63 H GLN 9 H GLN 9 2.092 -0.146 7.284 64 HA GLN 9 HA GLN 9 3.720 -2.315 8.186 65 HB2 GLN 9 HB3 GLN 9 2.303 -0.909 9.671 66 HB3 GLN 9 HB2 GLN 9 0.866 -1.637 8.953 67 HG2 GLN 9 HG3 GLN 9 2.528 -3.787 9.690 68 HG3 GLN 9 HG2 GLN 9 2.559 -2.670 11.052 69 HE21 GLN 9 HE22 GLN 9 0.246 -4.315 8.839 70 HE22 GLN 9 HE21 GLN 9 -1.013 -4.401 9.976 71 H PHE 10 H PHE 10 0.650 -2.217 6.442 72 HA PHE 10 HA PHE 10 0.100 -5.012 6.546 73 HB2 PHE 10 HB3 PHE 10 -1.539 -3.249 5.886 74 HB3 PHE 10 HB2 PHE 10 -0.661 -3.046 4.371 75 HD1 PHE 10 HD1 PHE 10 -2.682 -5.392 6.401 76 HD2 PHE 10 HD2 PHE 10 -0.844 -4.651 2.592 77 HE1 PHE 10 HE1 PHE 10 -3.944 -7.290 5.424 78 HE2 PHE 10 HE2 PHE 10 -2.105 -6.550 1.613 79 HZ PHE 10 HZ PHE 10 -3.655 -7.867 3.031 80 H VAL 11 H VAL 11 1.636 -3.079 3.963 81 HA VAL 11 HA VAL 11 2.270 -5.420 2.385 82 HB VAL 11 HB VAL 11 3.483 -3.876 0.963 83 HG11 VAL 11 HG11 VAL 11 1.001 -2.567 2.109 84 HG12 VAL 11 HG12 VAL 11 1.007 -3.836 0.885 85 HG13 VAL 11 HG13 VAL 11 1.692 -2.253 0.518 86 HG21 VAL 11 HG21 VAL 11 3.564 -1.424 1.766 87 HG22 VAL 11 HG22 VAL 11 4.729 -2.541 2.476 88 HG23 VAL 11 HG23 VAL 11 3.286 -2.079 3.379 89 H VAL 12 H VAL 12 4.235 -3.290 4.484 90 HA VAL 12 HA VAL 12 6.729 -4.560 4.012 91 HB VAL 12 HB VAL 12 5.680 -3.105 6.434 92 HG11 VAL 12 HG11 VAL 12 7.446 -4.282 7.384 93 HG12 VAL 12 HG12 VAL 12 8.295 -2.869 6.759 94 HG13 VAL 12 HG13 VAL 12 8.327 -4.386 5.860 95 HG21 VAL 12 HG21 VAL 12 7.602 -2.282 4.237 96 HG22 VAL 12 HG22 VAL 12 7.020 -1.257 5.549 97 HG23 VAL 12 HG23 VAL 12 5.901 -1.820 4.307 98 H GLU 13 H GLU 13 4.190 -5.338 6.368 99 HA GLU 13 HA GLU 13 5.691 -7.302 7.782 100 HB2 GLU 13 HB3 GLU 13 2.747 -6.855 7.398 101 HB3 GLU 13 HB2 GLU 13 3.350 -8.221 8.327 102 HG2 GLU 13 HG3 GLU 13 4.610 -6.687 9.783 103 HG3 GLU 13 HG2 GLU 13 4.001 -5.319 8.861 104 H GLU 14 H GLU 14 3.833 -7.489 4.794 105 HA GLU 14 HA GLU 14 3.789 -10.356 4.638 106 HB2 GLU 14 HB3 GLU 14 3.682 -8.239 2.473 107 HB3 GLU 14 HB2 GLU 14 3.422 -9.959 2.180 108 HG2 GLU 14 HG3 GLU 14 1.556 -9.942 3.812 109 HG3 GLU 14 HG2 GLU 14 1.796 -8.212 4.049 110 H PHE 15 H PHE 15 6.188 -7.935 3.714 111 HA PHE 15 HA PHE 15 7.873 -10.052 2.501 112 HB2 PHE 15 HB3 PHE 15 8.465 -7.092 2.757 113 HB3 PHE 15 HB2 PHE 15 9.282 -8.255 1.714 114 HD1 PHE 15 HD2 PHE 15 7.814 -9.515 -0.025 115 HD2 PHE 15 HD1 PHE 15 6.607 -5.916 1.977 116 HE1 PHE 15 HE2 PHE 15 6.112 -9.108 -1.784 117 HE2 PHE 15 HE1 PHE 15 4.900 -5.510 0.230 118 HZ PHE 15 HZ PHE 15 4.654 -7.106 -1.657 119 H LEU 16 H LEU 16 8.368 -7.432 4.920 120 HA LEU 16 HA LEU 16 10.184 -9.316 6.368 121 HB2 LEU 16 HB3 LEU 16 10.996 -7.070 4.943 122 HB3 LEU 16 HB2 LEU 16 10.966 -6.513 6.612 123 HG LEU 16 HG LEU 16 12.359 -9.024 5.640 124 HD11 LEU 16 HD11 LEU 16 14.328 -7.457 6.596 125 HD12 LEU 16 HD12 LEU 16 13.224 -6.201 6.034 126 HD13 LEU 16 HD13 LEU 16 13.827 -7.415 4.905 127 HD21 LEU 16 HD21 LEU 16 12.011 -9.540 7.848 128 HD22 LEU 16 HD22 LEU 16 11.759 -7.856 8.307 129 HD23 LEU 16 HD23 LEU 16 13.396 -8.472 8.081 130 HA PRO 17 HA PRO 17 7.255 -7.522 9.419 131 HB2 PRO 17 HB2 PRO 17 6.452 -9.907 10.494 132 HB3 PRO 17 HB3 PRO 17 5.678 -9.158 9.089 133 HG2 PRO 17 HG3 PRO 17 7.416 -11.498 9.233 134 HG3 PRO 17 HG2 PRO 17 6.264 -11.018 7.983 135 HD2 PRO 17 HD3 PRO 17 9.118 -10.746 7.914 136 HD3 PRO 17 HD2 PRO 17 7.948 -10.195 6.696 137 H ASP 18 H ASP 18 10.041 -9.536 9.604 138 HA ASP 18 HA ASP 18 10.160 -9.707 12.506 139 HB2 ASP 18 HB3 ASP 18 12.243 -10.106 10.352 140 HB3 ASP 18 HB2 ASP 18 12.532 -10.405 12.061 141 H VAL 19 H VAL 19 10.471 -7.211 10.357 142 HA VAL 19 HA VAL 19 12.325 -5.697 12.152 143 HB VAL 19 HB VAL 19 11.613 -5.130 9.253 144 HG11 VAL 19 HG11 VAL 19 13.798 -3.700 9.627 145 HG12 VAL 19 HG12 VAL 19 13.324 -3.789 11.324 146 HG13 VAL 19 HG13 VAL 19 12.234 -3.066 10.141 147 HG21 VAL 19 HG21 VAL 19 14.360 -5.912 10.111 148 HG22 VAL 19 HG22 VAL 19 13.521 -6.243 8.597 149 HG23 VAL 19 HG23 VAL 19 13.152 -7.194 10.035 150 H ALA 20 H ALA 20 11.511 -3.724 12.998 151 HA ALA 20 HA ALA 20 8.692 -3.495 13.251 152 HB1 ALA 20 HB1 ALA 20 9.673 -0.921 13.661 153 HB2 ALA 20 HB2 ALA 20 11.039 -1.964 14.058 154 HB3 ALA 20 HB3 ALA 20 9.499 -2.171 14.892 155 HA PRO 21 HA PRO 21 8.132 -1.844 9.063 156 HB2 PRO 21 HB2 PRO 21 5.357 -1.423 9.466 157 HB3 PRO 21 HB3 PRO 21 6.126 -2.783 8.637 158 HG2 PRO 21 HG3 PRO 21 4.843 -2.724 11.203 159 HG3 PRO 21 HG2 PRO 21 5.460 -4.108 10.291 160 HD2 PRO 21 HD3 PRO 21 6.588 -2.929 12.633 161 HD3 PRO 21 HD2 PRO 21 7.252 -4.257 11.661 162 H ALA 22 H ALA 22 6.920 -0.351 12.010 163 HA ALA 22 HA ALA 22 6.405 2.241 10.813 164 HB1 ALA 22 HB1 ALA 22 7.046 2.432 13.616 165 HB2 ALA 22 HB2 ALA 22 6.021 1.023 13.346 166 HB3 ALA 22 HB3 ALA 22 5.478 2.620 12.831 167 H ASP 23 H ASP 23 9.223 0.547 11.693 168 HA ASP 23 HA ASP 23 10.837 2.969 12.156 169 HB2 ASP 23 HB3 ASP 23 11.552 0.024 12.047 170 HB3 ASP 23 HB2 ASP 23 12.720 1.311 12.353 171 H VAL 24 H VAL 24 9.513 1.751 9.500 172 HA VAL 24 HA VAL 24 11.924 1.833 7.782 173 HB VAL 24 HB VAL 24 9.013 1.392 7.038 174 HG11 VAL 24 HG11 VAL 24 11.625 1.283 5.546 175 HG12 VAL 24 HG12 VAL 24 10.101 2.027 5.060 176 HG13 VAL 24 HG13 VAL 24 10.273 0.272 5.037 177 HG21 VAL 24 HG21 VAL 24 9.353 -0.901 7.263 178 HG22 VAL 24 HG22 VAL 24 10.325 -0.293 8.603 179 HG23 VAL 24 HG23 VAL 24 11.103 -0.762 7.092 180 H ASP 25 H ASP 25 12.374 3.580 6.450 181 HA ASP 25 HA ASP 25 11.177 6.109 7.073 182 HB2 ASP 25 HB3 ASP 25 13.504 5.737 6.138 183 HB3 ASP 25 HB2 ASP 25 12.749 5.434 4.573 184 H VAL 26 H VAL 26 8.889 5.699 6.742 185 HA VAL 26 HA VAL 26 7.777 4.853 4.240 186 HB VAL 26 HB VAL 26 5.675 5.712 5.084 187 HG11 VAL 26 HG11 VAL 26 5.673 4.032 6.580 188 HG12 VAL 26 HG12 VAL 26 6.528 5.052 7.736 189 HG13 VAL 26 HG13 VAL 26 7.436 4.054 6.601 190 HG21 VAL 26 HG21 VAL 26 5.974 7.012 7.400 191 HG22 VAL 26 HG22 VAL 26 6.002 7.871 5.860 192 HG23 VAL 26 HG23 VAL 26 7.514 7.461 6.669 193 H ASP 27 H ASP 27 9.703 7.435 4.713 194 HA ASP 27 HA ASP 27 8.184 9.263 2.919 195 HB2 ASP 27 HB3 ASP 27 10.751 9.660 4.491 196 HB3 ASP 27 HB2 ASP 27 10.026 10.878 3.443 197 H LEU 28 H LEU 28 10.021 6.658 2.546 198 HA LEU 28 HA LEU 28 11.799 7.712 0.417 199 HB2 LEU 28 HB3 LEU 28 12.647 6.037 2.077 200 HB3 LEU 28 HB2 LEU 28 11.481 4.877 1.446 201 HG LEU 28 HG LEU 28 12.615 5.576 -0.875 202 HD11 LEU 28 HD11 LEU 28 14.938 6.091 -0.672 203 HD12 LEU 28 HD12 LEU 28 14.917 5.814 1.070 204 HD13 LEU 28 HD13 LEU 28 14.097 7.220 0.391 205 HD21 LEU 28 HD21 LEU 28 12.540 3.294 -0.154 206 HD22 LEU 28 HD22 LEU 28 13.632 3.614 1.194 207 HD23 LEU 28 HD23 LEU 28 14.241 3.650 -0.461 208 H ASP 29 H ASP 29 11.406 7.315 -1.754 209 HA ASP 29 HA ASP 29 8.764 6.630 -2.582 210 HB2 ASP 29 HB3 ASP 29 11.382 6.583 -4.119 211 HB3 ASP 29 HB2 ASP 29 9.793 6.407 -4.865 212 H LEU 30 H LEU 30 7.847 4.638 -2.546 213 HA LEU 30 HA LEU 30 9.391 2.291 -1.905 214 HB2 LEU 30 HB3 LEU 30 7.226 1.084 -2.318 215 HB3 LEU 30 HB2 LEU 30 7.078 2.433 -1.189 216 HG LEU 30 HG LEU 30 6.719 3.254 -3.970 217 HD11 LEU 30 HD11 LEU 30 4.850 1.201 -2.755 218 HD12 LEU 30 HD12 LEU 30 5.749 1.055 -4.265 219 HD13 LEU 30 HD13 LEU 30 4.429 2.217 -4.133 220 HD21 LEU 30 HD21 LEU 30 4.880 4.472 -3.017 221 HD22 LEU 30 HD22 LEU 30 6.182 4.519 -1.829 222 HD23 LEU 30 HD23 LEU 30 4.828 3.410 -1.610 223 H VAL 31 H VAL 31 9.507 3.923 -4.678 224 HA VAL 31 HA VAL 31 8.892 2.137 -6.765 225 HB VAL 31 HB VAL 31 9.821 4.537 -6.923 226 HG11 VAL 31 HG11 VAL 31 11.864 3.898 -5.526 227 HG12 VAL 31 HG12 VAL 31 12.192 4.816 -6.995 228 HG13 VAL 31 HG13 VAL 31 12.468 3.074 -6.963 229 HG21 VAL 31 HG21 VAL 31 10.326 2.199 -8.666 230 HG22 VAL 31 HG22 VAL 31 11.319 3.615 -9.013 231 HG23 VAL 31 HG23 VAL 31 9.561 3.742 -9.046 232 H ASP 32 H ASP 32 11.748 2.262 -4.671 233 HA ASP 32 HA ASP 32 13.247 0.204 -5.962 234 HB2 ASP 32 HB3 ASP 32 13.091 0.980 -3.029 235 HB3 ASP 32 HB2 ASP 32 14.289 -0.130 -3.696 236 H ASN 33 H ASN 33 10.612 0.169 -3.645 237 HA ASN 33 HA ASN 33 10.632 -2.757 -3.408 238 HB2 ASN 33 HB3 ASN 33 8.625 -0.723 -2.413 239 HB3 ASN 33 HB2 ASN 33 8.692 -2.420 -1.947 240 HD21 ASN 33 HD22 ASN 33 9.834 0.700 -1.143 241 HD22 ASN 33 HD21 ASN 33 11.047 0.231 -0.052 242 H GLY 34 H GLY 34 10.039 -1.029 -5.934 243 HA2 GLY 34 HA3 GLY 34 7.439 -1.146 -6.831 244 HA3 GLY 34 HA2 GLY 34 8.804 -1.512 -7.886 245 H VAL 35 H VAL 35 9.323 -3.812 -5.814 246 HA VAL 35 HA VAL 35 8.348 -5.952 -7.355 247 HB VAL 35 HB VAL 35 8.929 -5.784 -4.384 248 HG11 VAL 35 HG11 VAL 35 7.758 -7.946 -5.996 249 HG12 VAL 35 HG12 VAL 35 7.821 -7.758 -4.244 250 HG13 VAL 35 HG13 VAL 35 9.203 -8.431 -5.109 251 HG21 VAL 35 HG21 VAL 35 10.729 -5.479 -6.247 252 HG22 VAL 35 HG22 VAL 35 10.526 -7.212 -6.504 253 HG23 VAL 35 HG23 VAL 35 11.063 -6.610 -4.936 254 H ILE 36 H ILE 36 6.795 -4.152 -4.744 255 HA ILE 36 HA ILE 36 4.475 -5.854 -4.527 256 HB ILE 36 HB ILE 36 5.385 -3.970 -2.928 257 HG12 ILE 36 HG13 ILE 36 2.434 -4.366 -3.516 258 HG13 ILE 36 HG12 ILE 36 3.425 -5.358 -2.450 259 HG21 ILE 36 HG21 ILE 36 3.325 -2.370 -4.445 260 HG22 ILE 36 HG22 ILE 36 5.032 -2.293 -4.888 261 HG23 ILE 36 HG23 ILE 36 4.517 -1.803 -3.274 262 HD11 ILE 36 HD11 ILE 36 3.931 -3.188 -1.170 263 HD12 ILE 36 HD12 ILE 36 2.307 -3.855 -0.996 264 HD13 ILE 36 HD13 ILE 36 2.587 -2.485 -2.071 265 H ASP 37 H ASP 37 5.397 -3.284 -6.678 266 HA ASP 37 HA ASP 37 2.853 -2.397 -7.539 267 HB2 ASP 37 HB3 ASP 37 5.430 -2.612 -9.115 268 HB3 ASP 37 HB2 ASP 37 4.009 -1.706 -9.628 269 H SER 38 H SER 38 4.650 -5.302 -8.457 270 HA SER 38 HA SER 38 2.447 -5.942 -10.374 271 HB2 SER 38 2HB SER 38 5.359 -6.652 -10.305 272 HB3 SER 38 1HB SER 38 4.222 -7.690 -11.161 273 H LEU 39 H LEU 39 4.744 -7.831 -8.371 274 HA LEU 39 HA LEU 39 2.967 -10.068 -8.202 275 HB2 LEU 39 HB3 LEU 39 5.416 -9.250 -6.670 276 HB3 LEU 39 HB2 LEU 39 4.511 -10.693 -6.222 277 HG LEU 39 HG LEU 39 6.407 -11.147 -7.809 278 HD11 LEU 39 HD11 LEU 39 3.970 -11.740 -9.401 279 HD12 LEU 39 HD12 LEU 39 3.957 -12.292 -7.727 280 HD13 LEU 39 HD13 LEU 39 5.229 -12.829 -8.823 281 HD21 LEU 39 HD21 LEU 39 6.317 -10.355 -10.064 282 HD22 LEU 39 HD22 LEU 39 6.044 -8.941 -9.047 283 HD23 LEU 39 HD23 LEU 39 4.684 -9.726 -9.852 284 H GLY 40 H GLY 40 3.802 -7.609 -5.758 285 HA2 GLY 40 HA3 GLY 40 1.845 -8.566 -3.868 286 HA3 GLY 40 HA2 GLY 40 2.676 -7.019 -3.787 287 H LEU 41 H LEU 41 1.829 -6.046 -6.351 288 HA LEU 41 HA LEU 41 -0.614 -4.791 -5.651 289 HB2 LEU 41 HB3 LEU 41 1.010 -3.991 -7.396 290 HB3 LEU 41 HB2 LEU 41 0.423 -5.268 -8.460 291 HG LEU 41 HG LEU 41 -1.937 -4.231 -7.879 292 HD11 LEU 41 HD11 LEU 41 -1.131 -2.636 -6.221 293 HD12 LEU 41 HD12 LEU 41 -1.750 -1.757 -7.619 294 HD13 LEU 41 HD13 LEU 41 -0.010 -1.943 -7.393 295 HD21 LEU 41 HD21 LEU 41 -1.722 -2.782 -9.864 296 HD22 LEU 41 HD22 LEU 41 -0.901 -4.321 -10.127 297 HD23 LEU 41 HD23 LEU 41 0.035 -2.875 -9.746 298 H LEU 42 H LEU 42 0.023 -7.662 -7.639 299 HA LEU 42 HA LEU 42 -2.710 -8.072 -8.433 300 HB2 LEU 42 HB3 LEU 42 -0.710 -9.172 -9.496 301 HB3 LEU 42 HB2 LEU 42 -0.567 -10.183 -8.064 302 HG LEU 42 HG LEU 42 -3.114 -10.690 -8.539 303 HD11 LEU 42 HD11 LEU 42 -2.018 -9.854 -11.234 304 HD12 LEU 42 HD12 LEU 42 -3.353 -9.097 -10.367 305 HD13 LEU 42 HD13 LEU 42 -3.527 -10.735 -10.998 306 HD21 LEU 42 HD21 LEU 42 -0.614 -11.827 -9.717 307 HD22 LEU 42 HD22 LEU 42 -2.151 -12.430 -10.337 308 HD23 LEU 42 HD23 LEU 42 -1.776 -12.573 -8.619 309 H LYS 43 H LYS 43 -0.771 -9.328 -5.720 310 HA LYS 43 HA LYS 43 -2.818 -10.981 -4.607 311 HB2 LYS 43 HB3 LYS 43 -0.482 -9.582 -3.294 312 HB3 LYS 43 HB2 LYS 43 -1.463 -10.823 -2.522 313 HG2 LYS 43 HG3 LYS 43 -0.868 -12.390 -4.371 314 HG3 LYS 43 HG2 LYS 43 0.202 -11.153 -5.032 315 HD2 LYS 43 HD3 LYS 43 1.439 -11.125 -2.859 316 HD3 LYS 43 HD2 LYS 43 0.429 -12.462 -2.308 317 HE2 LYS 43 HE3 LYS 43 1.952 -13.839 -3.248 318 HE3 LYS 43 HE2 LYS 43 1.330 -13.299 -4.807 319 HZ1 LYS 43 HZ1 LYS 43 3.116 -11.382 -3.740 320 HZ2 LYS 43 HZ2 LYS 43 3.212 -12.230 -5.205 321 HZ3 LYS 43 HZ3 LYS 43 3.868 -12.904 -3.790 322 H VAL 44 H VAL 44 -2.043 -7.558 -4.251 323 HA VAL 44 HA VAL 44 -3.676 -6.968 -2.006 324 HB VAL 44 HB VAL 44 -2.929 -5.293 -4.413 325 HG11 VAL 44 HG11 VAL 44 -4.917 -4.305 -3.506 326 HG12 VAL 44 HG12 VAL 44 -3.563 -3.376 -2.863 327 HG13 VAL 44 HG13 VAL 44 -4.370 -4.574 -1.852 328 HG21 VAL 44 HG21 VAL 44 -1.881 -4.644 -1.748 329 HG22 VAL 44 HG22 VAL 44 -1.021 -4.828 -3.277 330 HG23 VAL 44 HG23 VAL 44 -1.409 -6.249 -2.307 331 H ILE 45 H ILE 45 -4.497 -7.045 -5.473 332 HA ILE 45 HA ILE 45 -7.169 -6.120 -5.222 333 HB ILE 45 HB ILE 45 -5.646 -7.737 -7.214 334 HG12 ILE 45 HG13 ILE 45 -6.579 -5.956 -8.715 335 HG13 ILE 45 HG12 ILE 45 -7.393 -5.258 -7.315 336 HG21 ILE 45 HG21 ILE 45 -8.652 -7.653 -6.979 337 HG22 ILE 45 HG22 ILE 45 -7.609 -9.051 -7.242 338 HG23 ILE 45 HG23 ILE 45 -7.854 -7.879 -8.535 339 HD11 ILE 45 HD11 ILE 45 -4.403 -5.625 -7.653 340 HD12 ILE 45 HD12 ILE 45 -5.180 -5.026 -6.188 341 HD13 ILE 45 HD13 ILE 45 -5.278 -4.094 -7.682 342 H ALA 46 H ALA 46 -5.913 -9.465 -5.247 343 HA ALA 46 HA ALA 46 -8.449 -10.711 -4.775 344 HB1 ALA 46 HB1 ALA 46 -6.904 -12.592 -3.855 345 HB2 ALA 46 HB2 ALA 46 -5.581 -11.545 -4.375 346 HB3 ALA 46 HB3 ALA 46 -6.749 -12.144 -5.554 347 H TRP 47 H TRP 47 -5.861 -9.681 -2.548 348 HA TRP 47 HA TRP 47 -7.194 -10.627 -0.175 349 HB2 TRP 47 HB3 TRP 47 -4.943 -10.253 0.218 350 HB3 TRP 47 HB2 TRP 47 -4.905 -8.794 -0.772 351 HD1 TRP 47 HD1 TRP 47 -5.903 -10.036 2.706 352 HE1 TRP 47 HE1 TRP 47 -6.138 -7.996 4.268 353 HE3 TRP 47 HE3 TRP 47 -5.383 -6.266 -0.690 354 HZ2 TRP 47 HZ2 TRP 47 -6.104 -5.136 4.091 355 HZ3 TRP 47 HZ3 TRP 47 -5.484 -3.900 0.026 356 HH2 TRP 47 HH2 TRP 47 -5.842 -3.331 2.406 357 H LEU 48 H LEU 48 -7.105 -7.496 -1.853 358 HA LEU 48 HA LEU 48 -8.546 -5.975 0.051 359 HB2 LEU 48 HB3 LEU 48 -7.393 -5.089 -2.005 360 HB3 LEU 48 HB2 LEU 48 -8.715 -5.732 -2.964 361 HG LEU 48 HG LEU 48 -10.222 -4.374 -1.317 362 HD11 LEU 48 HD11 LEU 48 -9.227 -2.803 -0.004 363 HD12 LEU 48 HD12 LEU 48 -7.997 -2.439 -1.213 364 HD13 LEU 48 HD13 LEU 48 -7.811 -3.840 -0.162 365 HD21 LEU 48 HD21 LEU 48 -8.667 -3.570 -3.709 366 HD22 LEU 48 HD22 LEU 48 -9.403 -2.247 -2.803 367 HD23 LEU 48 HD23 LEU 48 -10.410 -3.546 -3.443 368 H GLU 49 H GLU 49 -9.748 -7.888 -2.719 369 HA GLU 49 HA GLU 49 -12.529 -7.374 -2.187 370 HB2 GLU 49 HB3 GLU 49 -11.754 -8.207 -4.370 371 HB3 GLU 49 HB2 GLU 49 -11.204 -9.699 -3.620 372 HG2 GLU 49 HG3 GLU 49 -13.522 -10.184 -2.921 373 HG3 GLU 49 HG2 GLU 49 -14.060 -8.716 -3.723 374 H ASP 50 H ASP 50 -10.280 -9.911 -1.197 375 HA ASP 50 HA ASP 50 -12.154 -11.595 0.129 376 HB2 ASP 50 HB3 ASP 50 -9.220 -11.097 0.557 377 HB3 ASP 50 HB2 ASP 50 -10.097 -12.371 1.373 378 H ARG 51 H ARG 51 -10.265 -8.822 1.273 379 HA ARG 51 HA ARG 51 -11.262 -9.137 4.007 380 HB2 ARG 51 HB3 ARG 51 -8.970 -8.316 3.528 381 HB3 ARG 51 HB2 ARG 51 -9.665 -6.872 2.792 382 HG2 ARG 51 HG3 ARG 51 -10.792 -6.334 4.930 383 HG3 ARG 51 HG2 ARG 51 -10.057 -7.759 5.665 384 HD2 ARG 51 HD3 ARG 51 -7.805 -6.830 5.130 385 HD3 ARG 51 HD2 ARG 51 -8.584 -5.373 4.513 386 HE ARG 51 HE ARG 51 -9.613 -5.536 7.040 387 HH11 ARG 51 HH22 ARG 51 -6.441 -5.814 5.718 388 HH12 ARG 51 HH21 ARG 51 -5.655 -5.187 7.128 389 HH21 ARG 51 HH11 ARG 51 -8.604 -4.715 8.888 390 HH22 ARG 51 HH12 ARG 51 -6.879 -4.564 8.923 391 H PHE 52 H PHE 52 -11.688 -6.609 1.465 392 HA PHE 52 HA PHE 52 -13.841 -5.457 3.141 393 HB2 PHE 52 HB3 PHE 52 -12.496 -4.461 0.620 394 HB3 PHE 52 HB2 PHE 52 -13.742 -3.590 1.505 395 HD1 PHE 52 HD1 PHE 52 -13.322 -2.853 3.865 396 HD2 PHE 52 HD2 PHE 52 -10.233 -4.530 1.397 397 HE1 PHE 52 HE1 PHE 52 -11.602 -1.953 5.408 398 HE2 PHE 52 HE2 PHE 52 -8.512 -3.631 2.940 399 HZ PHE 52 HZ PHE 52 -9.197 -2.343 4.946 400 H GLY 53 H GLY 53 -13.653 -7.729 0.667 401 HA2 GLY 53 HA3 GLY 53 -15.381 -8.683 -0.636 402 HA3 GLY 53 HA2 GLY 53 -16.515 -7.701 0.292 403 H ILE 54 H ILE 54 -13.817 -6.253 -1.406 404 HA ILE 54 HA ILE 54 -15.776 -4.798 -3.106 405 HB ILE 54 HB ILE 54 -12.821 -4.289 -2.649 406 HG12 ILE 54 HG13 ILE 54 -15.203 -2.788 -1.531 407 HG13 ILE 54 HG12 ILE 54 -14.363 -4.056 -0.639 408 HG21 ILE 54 HG21 ILE 54 -15.007 -2.662 -3.981 409 HG22 ILE 54 HG22 ILE 54 -13.594 -3.365 -4.768 410 HG23 ILE 54 HG23 ILE 54 -13.395 -2.050 -3.609 411 HD11 ILE 54 HD11 ILE 54 -12.233 -2.787 -0.919 412 HD12 ILE 54 HD12 ILE 54 -13.443 -1.890 -0.001 413 HD13 ILE 54 HD13 ILE 54 -13.143 -1.489 -1.692 414 H ALA 55 H ALA 55 -15.703 -4.895 -5.347 415 HA ALA 55 HA ALA 55 -14.674 -7.244 -6.583 416 HB1 ALA 55 HB1 ALA 55 -14.952 -5.193 -8.549 417 HB2 ALA 55 HB2 ALA 55 -16.235 -4.974 -7.359 418 HB3 ALA 55 HB3 ALA 55 -16.063 -6.516 -8.197 419 H ALA 56 H ALA 56 -12.914 -7.461 -8.085 420 HA ALA 56 HA ALA 56 -10.471 -6.309 -7.251 421 HB1 ALA 56 HB1 ALA 56 -11.333 -7.744 -9.752 422 HB2 ALA 56 HB2 ALA 56 -10.256 -8.303 -8.473 423 HB3 ALA 56 HB3 ALA 56 -9.703 -7.084 -9.622 424 H ASP 57 H ASP 57 -12.757 -5.255 -9.738 425 HA ASP 57 HA ASP 57 -12.789 -3.294 -11.032 426 HB2 ASP 57 HB3 ASP 57 -11.195 -2.317 -8.653 427 HB3 ASP 57 HB2 ASP 57 -11.876 -1.269 -9.893 428 H ASP 58 H ASP 58 -10.960 -5.099 -11.930 429 HA ASP 58 HA ASP 58 -8.273 -4.579 -12.072 430 HB2 ASP 58 HB3 ASP 58 -10.139 -5.265 -14.342 431 HB3 ASP 58 HB2 ASP 58 -8.383 -5.332 -14.474 432 H VAL 59 H VAL 59 -7.199 -2.720 -12.347 433 HA VAL 59 HA VAL 59 -8.080 -0.853 -14.493 434 HB VAL 59 HB VAL 59 -8.927 0.016 -12.327 435 HG11 VAL 59 HG11 VAL 59 -7.335 0.666 -10.580 436 HG12 VAL 59 HG12 VAL 59 -5.994 0.060 -11.552 437 HG13 VAL 59 HG13 VAL 59 -7.193 -1.061 -10.907 438 HG21 VAL 59 HG21 VAL 59 -8.489 2.089 -13.103 439 HG22 VAL 59 HG22 VAL 59 -7.348 1.360 -14.232 440 HG23 VAL 59 HG23 VAL 59 -6.787 1.945 -12.666 441 H GLU 60 H GLU 60 -6.312 0.224 -15.505 442 HA GLU 60 HA GLU 60 -3.715 -1.074 -15.050 443 HB2 GLU 60 HB3 GLU 60 -4.525 -0.620 -17.351 444 HB3 GLU 60 HB2 GLU 60 -4.468 1.106 -17.014 445 HG2 GLU 60 HG3 GLU 60 -2.062 0.934 -16.544 446 HG3 GLU 60 HG2 GLU 60 -2.119 -0.786 -16.899 447 H LEU 61 H LEU 61 -2.142 -0.241 -13.799 448 HA LEU 61 HA LEU 61 -2.350 2.626 -12.995 449 HB2 LEU 61 HB3 LEU 61 -0.983 0.382 -11.488 450 HB3 LEU 61 HB2 LEU 61 -1.302 2.013 -10.905 451 HG LEU 61 HG LEU 61 -3.352 -0.102 -11.574 452 HD11 LEU 61 HD11 LEU 61 -2.559 -0.555 -9.414 453 HD12 LEU 61 HD12 LEU 61 -3.949 0.485 -9.106 454 HD13 LEU 61 HD13 LEU 61 -2.318 1.152 -9.043 455 HD21 LEU 61 HD21 LEU 61 -4.426 1.854 -12.259 456 HD22 LEU 61 HD22 LEU 61 -3.572 2.852 -11.082 457 HD23 LEU 61 HD23 LEU 61 -4.873 1.786 -10.554 458 H SER 62 H SER 62 -0.498 3.903 -13.182 459 HA SER 62 HA SER 62 1.695 2.720 -14.784 460 HB2 SER 62 HB3 SER 62 0.437 5.309 -14.632 461 HB3 SER 62 HB2 SER 62 2.163 5.477 -14.322 462 HG SER 62 HG SER 62 0.820 4.479 -16.582 463 HA PRO 63 HA PRO 63 4.618 2.477 -11.511 464 HB2 PRO 63 HB2 PRO 63 6.801 3.800 -12.655 465 HB3 PRO 63 HB3 PRO 63 6.397 2.091 -12.886 466 HG2 PRO 63 HG3 PRO 63 5.896 4.412 -14.657 467 HG3 PRO 63 HG2 PRO 63 6.255 2.727 -15.069 468 HD2 PRO 63 HD3 PRO 63 3.752 3.767 -15.274 469 HD3 PRO 63 HD2 PRO 63 4.042 2.062 -14.863 470 H GLU 64 H GLU 64 4.093 5.643 -12.950 471 HA GLU 64 HA GLU 64 5.426 7.213 -10.963 472 HB2 GLU 64 HB3 GLU 64 3.058 7.876 -12.718 473 HB3 GLU 64 HB2 GLU 64 3.956 9.055 -11.775 474 HG2 GLU 64 HG3 GLU 64 6.018 8.411 -12.986 475 HG3 GLU 64 HG2 GLU 64 5.068 7.307 -13.973 476 H HIS 65 H HIS 65 2.280 5.672 -11.063 477 HA HIS 65 HA HIS 65 1.100 7.125 -8.880 478 HB2 HIS 65 HB3 HIS 65 -0.261 5.795 -10.431 479 HB3 HIS 65 HB2 HIS 65 0.542 4.320 -9.891 480 HD1 HIS 65 HD1 HIS 65 -0.338 3.218 -7.797 481 HD2 HIS 65 HD2 HIS 65 -1.874 7.062 -8.319 482 HE1 HIS 65 HE1 HIS 65 -2.121 3.526 -6.022 483 HE2 HIS 65 HE2 HIS 65 -3.057 5.864 -6.327 484 H PHE 66 H PHE 66 3.351 4.455 -9.041 485 HA PHE 66 HA PHE 66 3.030 3.944 -6.131 486 HB2 PHE 66 HB3 PHE 66 4.746 2.542 -8.205 487 HB3 PHE 66 HB2 PHE 66 4.538 2.031 -6.529 488 HD1 PHE 66 HD2 PHE 66 2.282 1.302 -5.715 489 HD2 PHE 66 HD1 PHE 66 3.076 2.099 -9.860 490 HE1 PHE 66 HE2 PHE 66 0.218 0.079 -6.346 491 HE2 PHE 66 HE1 PHE 66 1.013 0.876 -10.491 492 HZ PHE 66 HZ PHE 66 -0.416 -0.133 -8.734 493 H ARG 67 H ARG 67 4.569 6.190 -7.864 494 HA ARG 67 HA ARG 67 7.299 6.060 -7.164 495 HB2 ARG 67 HB3 ARG 67 6.299 7.740 -8.714 496 HB3 ARG 67 HB2 ARG 67 5.578 8.554 -7.331 497 HG2 ARG 67 HG3 ARG 67 7.553 9.773 -7.689 498 HG3 ARG 67 HG2 ARG 67 8.015 8.649 -6.418 499 HD2 ARG 67 HD3 ARG 67 9.013 7.141 -8.091 500 HD3 ARG 67 HD2 ARG 67 8.520 8.239 -9.379 501 HE ARG 67 HE ARG 67 10.063 9.744 -7.551 502 HH11 ARG 67 HH22 ARG 67 10.343 7.045 -9.677 503 HH12 ARG 67 HH21 ARG 67 12.022 7.310 -10.008 504 HH21 ARG 67 HH11 ARG 67 12.254 10.106 -7.970 505 HH22 ARG 67 HH12 ARG 67 13.105 9.043 -9.041 506 H SER 68 H SER 68 4.535 7.252 -5.255 507 HA SER 68 HA SER 68 6.315 7.141 -2.866 508 HB2 SER 68 HB3 SER 68 5.497 9.274 -2.053 509 HB3 SER 68 HB2 SER 68 6.143 9.508 -3.674 510 HG SER 68 HG SER 68 4.155 10.484 -3.612 511 H ILE 69 H ILE 69 5.155 6.852 -0.857 512 HA ILE 69 HA ILE 69 2.957 5.060 -1.002 513 HB ILE 69 HB ILE 69 3.903 6.759 1.323 514 HG12 ILE 69 HG13 ILE 69 4.571 3.901 0.608 515 HG13 ILE 69 HG12 ILE 69 5.619 5.267 0.260 516 HG21 ILE 69 HG21 ILE 69 2.215 5.831 2.463 517 HG22 ILE 69 HG22 ILE 69 2.872 4.238 2.091 518 HG23 ILE 69 HG23 ILE 69 1.690 4.978 1.013 519 HD11 ILE 69 HD11 ILE 69 5.435 3.805 2.684 520 HD12 ILE 69 HD12 ILE 69 4.784 5.412 3.001 521 HD13 ILE 69 HD13 ILE 69 6.418 5.233 2.362 522 H ARG 70 H ARG 70 3.098 8.570 -0.531 523 HA ARG 70 HA ARG 70 0.414 8.983 0.295 524 HB2 ARG 70 HB3 ARG 70 2.160 10.748 0.308 525 HB3 ARG 70 HB2 ARG 70 2.113 10.787 -1.455 526 HG2 ARG 70 HG3 ARG 70 -0.263 11.426 -1.391 527 HG3 ARG 70 HG2 ARG 70 -0.239 11.365 0.371 528 HD2 ARG 70 HD3 ARG 70 0.039 13.674 -0.273 529 HD3 ARG 70 HD2 ARG 70 1.597 13.099 0.321 530 HE ARG 70 HE ARG 70 1.656 12.647 -2.437 531 HH11 ARG 70 HH22 ARG 70 1.171 15.289 -0.275 532 HH12 ARG 70 HH21 ARG 70 1.839 16.467 -1.354 533 HH21 ARG 70 HH11 ARG 70 2.532 14.171 -3.858 534 HH22 ARG 70 HH12 ARG 70 2.609 15.835 -3.382 535 H SER 71 H SER 71 1.786 8.702 -2.986 536 HA SER 71 HA SER 71 -0.591 9.361 -4.410 537 HB2 SER 71 HB3 SER 71 1.664 9.080 -5.456 538 HB3 SER 71 HB2 SER 71 1.531 7.343 -5.203 539 HG SER 71 HG SER 71 0.585 8.783 -7.207 540 H ILE 72 H ILE 72 0.581 6.262 -3.115 541 HA ILE 72 HA ILE 72 -1.565 4.664 -4.119 542 HB ILE 72 HB ILE 72 0.139 4.287 -1.638 543 HG12 ILE 72 HG13 ILE 72 0.481 3.182 -4.444 544 HG13 ILE 72 HG12 ILE 72 1.407 4.532 -3.786 545 HG21 ILE 72 HG21 ILE 72 -0.594 1.833 -2.799 546 HG22 ILE 72 HG22 ILE 72 -2.067 2.802 -2.769 547 HG23 ILE 72 HG23 ILE 72 -1.178 2.503 -1.276 548 HD11 ILE 72 HD11 ILE 72 1.471 2.361 -1.908 549 HD12 ILE 72 HD12 ILE 72 2.817 3.104 -2.772 550 HD13 ILE 72 HD13 ILE 72 1.941 1.756 -3.496 551 H ASP 73 H ASP 73 -1.134 6.537 -1.139 552 HA ASP 73 HA ASP 73 -3.381 5.639 0.303 553 HB2 ASP 73 HB3 ASP 73 -2.162 8.411 0.134 554 HB3 ASP 73 HB2 ASP 73 -3.346 7.920 1.343 555 H ALA 74 H ALA 74 -3.156 8.065 -2.286 556 HA ALA 74 HA ALA 74 -5.868 8.968 -2.104 557 HB1 ALA 74 HB1 ALA 74 -3.725 9.053 -4.188 558 HB2 ALA 74 HB2 ALA 74 -4.614 10.380 -3.441 559 HB3 ALA 74 HB3 ALA 74 -5.380 9.398 -4.690 560 H PHE 75 H PHE 75 -4.352 6.334 -3.945 561 HA PHE 75 HA PHE 75 -6.686 5.582 -5.415 562 HB2 PHE 75 HB3 PHE 75 -4.376 4.771 -5.908 563 HB3 PHE 75 HB2 PHE 75 -4.457 3.780 -4.454 564 HD1 PHE 75 HD2 PHE 75 -5.896 4.319 -7.822 565 HD2 PHE 75 HD1 PHE 75 -5.777 1.764 -4.371 566 HE1 PHE 75 HE2 PHE 75 -7.087 2.551 -9.090 567 HE2 PHE 75 HE1 PHE 75 -6.968 -0.004 -5.639 568 HZ PHE 75 HZ PHE 75 -7.623 0.390 -7.998 569 H VAL 76 H VAL 76 -5.374 4.304 -2.341 570 HA VAL 76 HA VAL 76 -7.576 2.522 -1.881 571 HB VAL 76 HB VAL 76 -5.502 3.734 -0.041 572 HG11 VAL 76 HG11 VAL 76 -7.705 1.737 0.483 573 HG12 VAL 76 HG12 VAL 76 -7.350 3.221 1.367 574 HG13 VAL 76 HG13 VAL 76 -6.264 1.837 1.493 575 HG21 VAL 76 HG21 VAL 76 -5.519 0.848 -0.447 576 HG22 VAL 76 HG22 VAL 76 -4.204 1.999 -0.687 577 HG23 VAL 76 HG23 VAL 76 -5.374 1.714 -1.976 578 H VAL 77 H VAL 77 -6.877 5.848 -0.811 579 HA VAL 77 HA VAL 77 -9.095 6.115 0.951 580 HB VAL 77 HB VAL 77 -7.577 8.143 -0.706 581 HG11 VAL 77 HG11 VAL 77 -8.598 9.705 1.110 582 HG12 VAL 77 HG12 VAL 77 -9.810 8.437 1.284 583 HG13 VAL 77 HG13 VAL 77 -9.596 9.245 -0.268 584 HG21 VAL 77 HG21 VAL 77 -7.394 8.138 2.232 585 HG22 VAL 77 HG22 VAL 77 -6.109 8.220 1.028 586 HG23 VAL 77 HG23 VAL 77 -6.792 6.659 1.484 587 H GLY 78 H GLY 78 -8.772 6.757 -2.534 588 HA2 GLY 78 HA3 GLY 78 -11.342 7.894 -2.941 589 HA3 GLY 78 HA2 GLY 78 -10.412 7.057 -4.180 590 H ALA 79 H ALA 79 -10.321 4.496 -2.793 591 HA ALA 79 HA ALA 79 -13.088 3.643 -3.407 592 HB1 ALA 79 HB1 ALA 79 -12.108 1.343 -3.345 593 HB2 ALA 79 HB2 ALA 79 -10.543 2.062 -2.968 594 HB3 ALA 79 HB3 ALA 79 -11.318 2.399 -4.516 595 H THR 80 H THR 80 -10.668 3.170 -0.829 596 HA THR 80 HA THR 80 -12.943 2.747 1.064 597 HB THR 80 HB THR 80 -10.266 1.347 1.159 598 HG1 THR 80 HG1 THR 80 -11.146 -0.049 -0.108 599 HG21 THR 80 HG21 THR 80 -10.862 0.649 3.214 600 HG22 THR 80 HG22 THR 80 -12.464 0.176 2.648 601 HG23 THR 80 HG23 THR 80 -12.164 1.837 3.157 602 H THR 81 H THR 81 -12.814 3.938 2.937 603 HA THR 81 HA THR 81 -10.251 5.364 3.484 604 HB THR 81 HB THR 81 -11.653 7.032 2.526 605 HG1 THR 81 HG1 THR 81 -11.672 8.391 4.177 606 HG21 THR 81 HG21 THR 81 -14.001 7.229 3.897 607 HG22 THR 81 HG22 THR 81 -13.765 5.481 3.892 608 HG23 THR 81 HG23 THR 81 -13.823 6.367 2.368 609 HA PRO 82 HA PRO 82 -11.559 2.987 7.229 610 HB2 PRO 82 HB2 PRO 82 -8.682 3.188 7.842 611 HB3 PRO 82 HB3 PRO 82 -9.708 1.749 7.733 612 HG2 PRO 82 HG3 PRO 82 -7.841 2.356 5.890 613 HG3 PRO 82 HG2 PRO 82 -9.335 1.488 5.502 614 HD2 PRO 82 HD3 PRO 82 -8.623 4.343 4.968 615 HD3 PRO 82 HD2 PRO 82 -9.626 3.229 4.011 616 HA PRO 83 HA PRO 83 -11.422 6.067 10.411 617 HB2 PRO 83 HB2 PRO 83 -9.561 4.608 12.183 618 HB3 PRO 83 HB3 PRO 83 -11.254 5.056 12.455 619 HG2 PRO 83 HG3 PRO 83 -10.481 2.523 12.003 620 HG3 PRO 83 HG2 PRO 83 -12.053 3.153 11.485 621 HD2 PRO 83 HD3 PRO 83 -9.610 2.605 9.847 622 HD3 PRO 83 HD2 PRO 83 -11.325 2.442 9.410 623 H VAL 84 H VAL 84 -10.173 7.871 11.176 624 HA VAL 84 HA VAL 84 -7.453 7.997 9.983 625 HB VAL 84 HB VAL 84 -9.172 10.222 11.120 626 HG11 VAL 84 HG11 VAL 84 -7.290 11.106 9.183 627 HG12 VAL 84 HG12 VAL 84 -6.416 10.074 10.315 628 HG13 VAL 84 HG13 VAL 84 -7.314 11.472 10.908 629 HG21 VAL 84 HG21 VAL 84 -10.370 9.611 9.229 630 HG22 VAL 84 HG22 VAL 84 -8.948 8.962 8.411 631 HG23 VAL 84 HG23 VAL 84 -9.193 10.706 8.504 632 H GLU 85 H GLU 85 -5.691 7.929 11.256 633 HA GLU 85 HA GLU 85 -5.851 8.828 14.067 634 HB2 GLU 85 HB3 GLU 85 -4.875 6.069 13.257 635 HB3 GLU 85 HB2 GLU 85 -4.775 6.753 14.880 636 HG2 GLU 85 HG3 GLU 85 -7.255 6.977 14.908 637 HG3 GLU 85 HG2 GLU 85 -7.319 6.198 13.326 638 H ALA 86 H ALA 86 -3.578 8.976 15.001 639 HA ALA 86 HA ALA 86 -1.839 10.360 13.245 640 HB1 ALA 86 HB1 ALA 86 -0.296 10.409 15.022 641 HB2 ALA 86 HB2 ALA 86 -0.797 8.828 15.623 642 HB3 ALA 86 HB3 ALA 86 -1.842 10.230 15.852 643 H LYS 87 H LYS 87 -0.185 9.669 11.893 644 HA LYS 87 HA LYS 87 -0.201 7.002 10.913 645 HB2 LYS 87 HB3 LYS 87 0.717 9.020 9.706 646 HB3 LYS 87 HB2 LYS 87 2.131 8.931 10.759 647 HG2 LYS 87 HG3 LYS 87 2.548 6.614 9.985 648 HG3 LYS 87 HG2 LYS 87 1.161 6.737 8.904 649 HD2 LYS 87 HD3 LYS 87 2.276 8.736 7.837 650 HD3 LYS 87 HD2 LYS 87 3.709 8.371 8.799 651 HE2 LYS 87 HE3 LYS 87 2.386 6.480 6.830 652 HE3 LYS 87 HE2 LYS 87 3.881 7.370 6.547 653 HZ1 LYS 87 HZ1 LYS 87 4.554 6.225 8.783 654 HZ2 LYS 87 HZ2 LYS 87 4.703 5.401 7.308 655 HZ3 LYS 87 HZ3 LYS 87 3.374 5.093 8.320 656 H LEU 88 H LEU 88 1.777 8.552 13.405 657 HA LEU 88 HA LEU 88 3.695 6.486 13.757 658 HB2 LEU 88 HB3 LEU 88 2.488 8.272 15.894 659 HB3 LEU 88 HB2 LEU 88 4.026 7.416 16.000 660 HG LEU 88 HG LEU 88 3.327 9.597 14.012 661 HD11 LEU 88 HD11 LEU 88 5.579 10.354 15.401 662 HD12 LEU 88 HD12 LEU 88 4.641 9.528 16.646 663 HD13 LEU 88 HD13 LEU 88 3.941 10.892 15.774 664 HD21 LEU 88 HD21 LEU 88 4.815 8.290 12.797 665 HD22 LEU 88 HD22 LEU 88 5.605 7.663 14.243 666 HD23 LEU 88 HD23 LEU 88 5.949 9.302 13.691 667 H GLN 89 H GLN 89 0.394 6.832 14.983 668 HA GLN 89 HA GLN 89 0.663 4.186 16.338 669 HB2 GLN 89 HB3 GLN 89 -1.480 6.321 16.581 670 HB3 GLN 89 HB2 GLN 89 -1.459 4.799 17.472 671 HG2 GLN 89 HG3 GLN 89 0.757 5.435 18.431 672 HG3 GLN 89 HG2 GLN 89 0.625 6.996 17.621 673 HE21 GLN 89 HE22 GLN 89 -0.657 8.606 18.625 674 HE22 GLN 89 HE21 GLN 89 -1.556 8.348 20.041 675 H1 PN7 101 3HO SAT 38 2.695 -1.178 -15.505 676 H2 PN7 101 1H1 SAT 38 6.092 -2.324 -11.599 677 H3 PN7 101 2H1 SAT 38 4.410 -2.852 -11.561 678 H5 PN7 101 3HE1 SAT 38 6.983 -1.428 -13.583 679 H6 PN7 101 1HE1 SAT 38 6.031 -0.205 -14.424 680 H7 PN7 101 2HE1 SAT 38 5.994 -1.881 -14.971 681 H8 PN7 101 2HE2 SAT 38 4.037 0.457 -13.039 682 H9 PN7 101 3HE2 SAT 38 5.450 0.200 -12.016 683 H10 PN7 101 1HE2 SAT 38 3.895 -0.493 -11.560 684 H11 PN7 101 3H SAT 38 3.759 -2.987 -14.263 685 H12 PN7 101 5H SAT 38 1.485 -0.033 -13.650 686 H13 PN7 101 2H6 SAT 38 0.019 -1.239 -15.258 687 H14 PN7 101 1H6 SAT 38 -0.609 -1.505 -13.632 688 H15 PN7 101 1H7 SAT 38 1.434 -3.328 -14.927 689 H16 PN7 101 2H7 SAT 38 -0.304 -3.608 -15.030 690 H17 PN7 101 9H SAT 38 1.984 -5.140 -13.238 691 H18 PN7 101 2H10 SAT 38 -0.751 -6.056 -12.660 692 H19 PN7 101 1H10 SAT 38 0.351 -6.083 -11.283 693 H20 PN7 101 1H11 SAT 38 0.550 -8.253 -12.189 694 H21 PN7 101 2H11 SAT 38 1.941 -7.400 -12.858 695 H22 PN7 101 2HS1 SAT 38 -0.655 -7.527 -14.571 Start of MODEL 4 1 H1 MET 1 H1 MET 1 3.182 11.026 2.541 2 H2 MET 1 H2 MET 1 2.188 11.754 3.711 3 H3 MET 1 H3 MET 1 1.551 10.577 2.664 4 HA MET 1 HA MET 1 2.766 8.848 3.674 5 HB2 MET 1 HB3 MET 1 4.174 11.094 5.146 6 HB3 MET 1 HB2 MET 1 4.372 9.382 5.525 7 HG2 MET 1 HG3 MET 1 5.063 9.007 3.141 8 HG3 MET 1 HG2 MET 1 5.041 10.754 2.909 9 HE1 MET 1 HE1 MET 1 6.250 11.658 6.029 10 HE2 MET 1 HE2 MET 1 6.037 12.330 4.415 11 HE3 MET 1 HE3 MET 1 7.657 12.193 5.113 12 H GLN 2 H GLN 2 0.359 10.646 4.182 13 HA GLN 2 HA GLN 2 -0.137 10.867 6.971 14 HB2 GLN 2 HB3 GLN 2 -2.084 10.324 4.707 15 HB3 GLN 2 HB2 GLN 2 -2.549 10.816 6.336 16 HG2 GLN 2 HG3 GLN 2 -1.264 12.898 6.093 17 HG3 GLN 2 HG2 GLN 2 -0.759 12.406 4.475 18 HE21 GLN 2 HE22 GLN 2 -2.240 14.810 4.837 19 HE22 GLN 2 HE21 GLN 2 -3.783 14.608 4.160 20 H HIS 3 H HIS 3 -0.516 8.144 4.745 21 HA HIS 3 HA HIS 3 -0.915 6.380 7.123 22 HB2 HIS 3 HB3 HIS 3 -2.299 6.008 4.452 23 HB3 HIS 3 HB2 HIS 3 -2.566 5.082 5.931 24 HD1 HIS 3 HD1 HIS 3 -4.064 7.720 4.092 25 HD2 HIS 3 HD2 HIS 3 -3.351 7.105 8.155 26 HE1 HIS 3 HE1 HIS 3 -5.626 9.278 5.339 27 HE2 HIS 3 HE2 HIS 3 -5.205 8.908 7.813 28 H ALA 4 H ALA 4 1.378 7.146 5.234 29 HA ALA 4 HA ALA 4 1.998 4.971 3.524 30 HB1 ALA 4 HB1 ALA 4 3.569 7.097 4.908 31 HB2 ALA 4 HB2 ALA 4 3.460 6.721 3.188 32 HB3 ALA 4 HB3 ALA 4 4.460 5.726 4.247 33 H SER 5 H SER 5 2.529 5.374 7.017 34 HA SER 5 HA SER 5 4.218 3.114 7.374 35 HB2 SER 5 HB3 SER 5 2.144 4.151 9.320 36 HB3 SER 5 HB2 SER 5 3.553 3.174 9.717 37 HG SER 5 HG SER 5 4.030 5.332 10.085 38 H VAL 6 H VAL 6 0.664 3.365 7.351 39 HA VAL 6 HA VAL 6 0.198 0.606 7.999 40 HB VAL 6 HB VAL 6 -1.481 2.574 6.434 41 HG11 VAL 6 HG11 VAL 6 -3.333 0.902 7.071 42 HG12 VAL 6 HG12 VAL 6 -2.027 -0.242 7.378 43 HG13 VAL 6 HG13 VAL 6 -2.250 0.427 5.762 44 HG21 VAL 6 HG21 VAL 6 -1.228 1.796 9.317 45 HG22 VAL 6 HG22 VAL 6 -2.818 2.250 8.704 46 HG23 VAL 6 HG23 VAL 6 -1.478 3.391 8.609 47 H ILE 7 H ILE 7 0.572 2.348 4.943 48 HA ILE 7 HA ILE 7 0.092 0.161 3.200 49 HB ILE 7 HB ILE 7 1.971 2.517 2.850 50 HG12 ILE 7 HG13 ILE 7 -0.900 2.133 1.939 51 HG13 ILE 7 HG12 ILE 7 -0.429 3.066 3.359 52 HG21 ILE 7 HG21 ILE 7 1.417 2.040 0.383 53 HG22 ILE 7 HG22 ILE 7 0.837 0.469 0.934 54 HG23 ILE 7 HG23 ILE 7 2.525 0.918 1.173 55 HD11 ILE 7 HD11 ILE 7 1.087 3.811 0.970 56 HD12 ILE 7 HD12 ILE 7 0.213 4.835 2.108 57 HD13 ILE 7 HD13 ILE 7 -0.648 4.059 0.779 58 H ALA 8 H ALA 8 3.139 1.360 4.615 59 HA ALA 8 HA ALA 8 4.810 -0.668 3.474 60 HB1 ALA 8 HB1 ALA 8 5.592 0.297 6.144 61 HB2 ALA 8 HB2 ALA 8 5.247 1.584 4.987 62 HB3 ALA 8 HB3 ALA 8 6.475 0.373 4.619 63 H GLN 9 H GLN 9 3.152 -0.444 6.614 64 HA GLN 9 HA GLN 9 4.087 -3.000 7.538 65 HB2 GLN 9 HB3 GLN 9 2.999 -2.480 9.460 66 HB3 GLN 9 HB2 GLN 9 2.830 -0.891 8.727 67 HG2 GLN 9 HG3 GLN 9 0.646 -1.463 9.432 68 HG3 GLN 9 HG2 GLN 9 0.649 -1.790 7.706 69 HE21 GLN 9 HE22 GLN 9 -0.869 -3.531 7.690 70 HE22 GLN 9 HE21 GLN 9 -0.598 -5.003 8.490 71 H PHE 10 H PHE 10 1.280 -1.977 5.684 72 HA PHE 10 HA PHE 10 -0.189 -4.423 5.862 73 HB2 PHE 10 HB3 PHE 10 -1.000 -2.182 4.956 74 HB3 PHE 10 HB2 PHE 10 -0.117 -2.557 3.478 75 HD1 PHE 10 HD2 PHE 10 -2.922 -3.537 5.662 76 HD2 PHE 10 HD1 PHE 10 -0.897 -4.268 1.947 77 HE1 PHE 10 HE2 PHE 10 -4.847 -4.891 4.882 78 HE2 PHE 10 HE1 PHE 10 -2.823 -5.621 1.164 79 HZ PHE 10 HZ PHE 10 -4.799 -5.928 2.634 80 H VAL 11 H VAL 11 2.085 -3.262 3.370 81 HA VAL 11 HA VAL 11 2.067 -5.795 1.958 82 HB VAL 11 HB VAL 11 2.584 -3.658 0.830 83 HG11 VAL 11 HG11 VAL 11 3.871 -2.780 2.871 84 HG12 VAL 11 HG12 VAL 11 4.566 -2.426 1.290 85 HG13 VAL 11 HG13 VAL 11 5.235 -3.725 2.277 86 HG21 VAL 11 HG21 VAL 11 3.451 -5.817 -0.057 87 HG22 VAL 11 HG22 VAL 11 4.938 -5.572 0.858 88 HG23 VAL 11 HG23 VAL 11 4.511 -4.463 -0.445 89 H VAL 12 H VAL 12 4.414 -4.215 4.143 90 HA VAL 12 HA VAL 12 6.392 -6.249 4.063 91 HB VAL 12 HB VAL 12 5.653 -4.292 6.233 92 HG11 VAL 12 HG11 VAL 12 6.804 -5.947 7.436 93 HG12 VAL 12 HG12 VAL 12 8.101 -4.856 6.946 94 HG13 VAL 12 HG13 VAL 12 7.832 -6.360 6.064 95 HG21 VAL 12 HG21 VAL 12 8.230 -3.972 4.957 96 HG22 VAL 12 HG22 VAL 12 6.888 -2.832 5.033 97 HG23 VAL 12 HG23 VAL 12 6.955 -4.030 3.742 98 H GLU 13 H GLU 13 3.467 -5.997 6.033 99 HA GLU 13 HA GLU 13 4.041 -8.029 7.915 100 HB2 GLU 13 HB3 GLU 13 2.035 -6.558 8.010 101 HB3 GLU 13 HB2 GLU 13 1.356 -7.448 6.653 102 HG2 GLU 13 HG3 GLU 13 1.523 -9.543 8.008 103 HG3 GLU 13 HG2 GLU 13 2.047 -8.560 9.373 104 H GLU 14 H GLU 14 2.913 -8.237 4.591 105 HA GLU 14 HA GLU 14 2.288 -11.034 4.618 106 HB2 GLU 14 HB3 GLU 14 1.553 -9.428 2.855 107 HB3 GLU 14 HB2 GLU 14 3.218 -9.355 2.276 108 HG2 GLU 14 HG3 GLU 14 3.170 -11.822 1.929 109 HG3 GLU 14 HG2 GLU 14 1.472 -11.828 2.406 110 H PHE 15 H PHE 15 5.324 -9.287 4.018 111 HA PHE 15 HA PHE 15 6.658 -11.886 3.449 112 HB2 PHE 15 HB3 PHE 15 7.810 -9.091 3.284 113 HB3 PHE 15 HB2 PHE 15 8.524 -10.572 2.641 114 HD1 PHE 15 HD1 PHE 15 5.886 -8.070 2.245 115 HD2 PHE 15 HD2 PHE 15 7.589 -11.666 0.648 116 HE1 PHE 15 HE1 PHE 15 4.570 -7.763 0.176 117 HE2 PHE 15 HE2 PHE 15 6.278 -11.361 -1.437 118 HZ PHE 15 HZ PHE 15 4.766 -9.408 -1.675 119 H LEU 16 H LEU 16 7.374 -8.972 5.429 120 HA LEU 16 HA LEU 16 8.700 -10.814 7.386 121 HB2 LEU 16 HB3 LEU 16 9.713 -8.513 5.963 122 HB3 LEU 16 HB2 LEU 16 9.788 -8.234 7.701 123 HG LEU 16 HG LEU 16 10.921 -10.425 7.986 124 HD11 LEU 16 HD11 LEU 16 10.477 -11.875 6.283 125 HD12 LEU 16 HD12 LEU 16 11.878 -11.118 5.525 126 HD13 LEU 16 HD13 LEU 16 10.251 -10.579 5.108 127 HD21 LEU 16 HD21 LEU 16 12.065 -8.292 6.199 128 HD22 LEU 16 HD22 LEU 16 13.022 -9.728 6.565 129 HD23 LEU 16 HD23 LEU 16 12.475 -8.677 7.871 130 HA PRO 17 HA PRO 17 5.580 -8.489 9.801 131 HB2 PRO 17 HB2 PRO 17 4.247 -10.677 10.767 132 HB3 PRO 17 HB3 PRO 17 3.870 -9.905 9.217 133 HG2 PRO 17 HG3 PRO 17 5.100 -12.481 9.735 134 HG3 PRO 17 HG2 PRO 17 4.416 -11.840 8.237 135 HD2 PRO 17 HD3 PRO 17 7.217 -12.007 9.015 136 HD3 PRO 17 HD2 PRO 17 6.527 -11.534 7.448 137 H ASP 18 H ASP 18 7.713 -11.155 10.598 138 HA ASP 18 HA ASP 18 7.418 -10.899 13.482 139 HB2 ASP 18 HB3 ASP 18 9.501 -12.248 11.756 140 HB3 ASP 18 HB2 ASP 18 9.467 -12.349 13.512 141 H VAL 19 H VAL 19 8.769 -8.977 11.156 142 HA VAL 19 HA VAL 19 10.807 -7.856 13.037 143 HB VAL 19 HB VAL 19 10.625 -7.495 10.027 144 HG11 VAL 19 HG11 VAL 19 13.213 -7.058 11.230 145 HG12 VAL 19 HG12 VAL 19 12.003 -6.062 12.038 146 HG13 VAL 19 HG13 VAL 19 12.227 -5.936 10.293 147 HG21 VAL 19 HG21 VAL 19 12.006 -9.508 11.757 148 HG22 VAL 19 HG22 VAL 19 12.864 -8.914 10.335 149 HG23 VAL 19 HG23 VAL 19 11.299 -9.707 10.154 150 H ALA 20 H ALA 20 10.669 -5.558 13.425 151 HA ALA 20 HA ALA 20 8.052 -4.464 13.376 152 HB1 ALA 20 HB1 ALA 20 10.436 -2.653 13.323 153 HB2 ALA 20 HB2 ALA 20 10.241 -3.757 14.685 154 HB3 ALA 20 HB3 ALA 20 8.990 -2.566 14.329 155 HA PRO 21 HA PRO 21 8.157 -3.569 8.929 156 HB2 PRO 21 HB2 PRO 21 5.617 -2.267 9.072 157 HB3 PRO 21 HB3 PRO 21 5.978 -3.884 8.453 158 HG2 PRO 21 HG3 PRO 21 4.639 -3.174 10.859 159 HG3 PRO 21 HG2 PRO 21 4.984 -4.785 10.221 160 HD2 PRO 21 HD3 PRO 21 6.218 -3.455 12.456 161 HD3 PRO 21 HD2 PRO 21 6.527 -5.088 11.837 162 H ALA 22 H ALA 22 7.529 -1.308 11.518 163 HA ALA 22 HA ALA 22 7.649 1.102 9.941 164 HB1 ALA 22 HB1 ALA 22 6.820 1.656 12.000 165 HB2 ALA 22 HB2 ALA 22 8.523 1.909 12.384 166 HB3 ALA 22 HB3 ALA 22 7.737 0.391 12.820 167 H ASP 23 H ASP 23 10.038 -1.147 10.994 168 HA ASP 23 HA ASP 23 12.259 0.762 10.891 169 HB2 ASP 23 HB3 ASP 23 12.273 -1.276 12.361 170 HB3 ASP 23 HB2 ASP 23 12.354 -2.269 10.906 171 H VAL 24 H VAL 24 10.378 -0.792 8.585 172 HA VAL 24 HA VAL 24 12.388 -1.483 6.643 173 HB VAL 24 HB VAL 24 10.550 -1.582 5.064 174 HG11 VAL 24 HG11 VAL 24 10.370 -2.753 7.738 175 HG12 VAL 24 HG12 VAL 24 10.117 -3.507 6.165 176 HG13 VAL 24 HG13 VAL 24 8.800 -2.631 6.945 177 HG21 VAL 24 HG21 VAL 24 9.345 0.316 7.002 178 HG22 VAL 24 HG22 VAL 24 8.239 -0.848 6.270 179 HG23 VAL 24 HG23 VAL 24 9.177 0.242 5.248 180 H ASP 25 H ASP 25 13.307 -0.189 5.032 181 HA ASP 25 HA ASP 25 13.372 2.655 5.515 182 HB2 ASP 25 HB3 ASP 25 14.343 0.994 3.170 183 HB3 ASP 25 HB2 ASP 25 14.674 2.716 3.366 184 H VAL 26 H VAL 26 11.052 3.144 5.392 185 HA VAL 26 HA VAL 26 9.487 2.706 3.035 186 HB VAL 26 HB VAL 26 7.983 4.404 3.935 187 HG11 VAL 26 HG11 VAL 26 9.295 2.777 6.136 188 HG12 VAL 26 HG12 VAL 26 8.020 2.210 5.058 189 HG13 VAL 26 HG13 VAL 26 7.687 3.496 6.217 190 HG21 VAL 26 HG21 VAL 26 9.209 5.275 6.291 191 HG22 VAL 26 HG22 VAL 26 8.953 6.238 4.835 192 HG23 VAL 26 HG23 VAL 26 10.482 5.391 5.076 193 H ASP 27 H ASP 27 12.297 4.332 3.185 194 HA ASP 27 HA ASP 27 11.473 6.587 1.437 195 HB2 ASP 27 HB3 ASP 27 14.149 5.840 2.658 196 HB3 ASP 27 HB2 ASP 27 13.887 7.244 1.623 197 H LEU 28 H LEU 28 12.019 3.424 1.019 198 HA LEU 28 HA LEU 28 13.666 3.694 -1.444 199 HB2 LEU 28 HB3 LEU 28 14.225 1.908 0.218 200 HB3 LEU 28 HB2 LEU 28 12.646 1.187 -0.082 201 HG LEU 28 HG LEU 28 13.618 1.504 -2.636 202 HD11 LEU 28 HD11 LEU 28 15.932 0.550 -0.935 203 HD12 LEU 28 HD12 LEU 28 15.822 2.183 -1.592 204 HD13 LEU 28 HD13 LEU 28 15.916 0.799 -2.681 205 HD21 LEU 28 HD21 LEU 28 12.535 -0.507 -1.907 206 HD22 LEU 28 HD22 LEU 28 13.786 -0.821 -0.703 207 HD23 LEU 28 HD23 LEU 28 14.154 -0.981 -2.420 208 H ASP 29 H ASP 29 12.779 3.343 -3.466 209 HA ASP 29 HA ASP 29 9.956 3.571 -3.803 210 HB2 ASP 29 HB3 ASP 29 12.086 2.548 -5.711 211 HB3 ASP 29 HB2 ASP 29 10.425 2.912 -6.179 212 H LEU 30 H LEU 30 8.446 2.019 -3.437 213 HA LEU 30 HA LEU 30 9.190 -0.664 -2.743 214 HB2 LEU 30 HB3 LEU 30 6.771 -1.098 -2.664 215 HB3 LEU 30 HB2 LEU 30 7.151 0.433 -1.874 216 HG LEU 30 HG LEU 30 6.728 0.949 -4.657 217 HD11 LEU 30 HD11 LEU 30 5.424 -1.066 -4.831 218 HD12 LEU 30 HD12 LEU 30 4.284 0.274 -4.704 219 HD13 LEU 30 HD13 LEU 30 4.611 -0.740 -3.300 220 HD21 LEU 30 HD21 LEU 30 6.409 2.558 -2.839 221 HD22 LEU 30 HD22 LEU 30 5.110 1.572 -2.168 222 HD23 LEU 30 HD23 LEU 30 4.900 2.362 -3.730 223 H VAL 31 H VAL 31 9.388 0.659 -5.703 224 HA VAL 31 HA VAL 31 7.981 -1.082 -7.442 225 HB VAL 31 HB VAL 31 10.664 0.288 -7.774 226 HG11 VAL 31 HG11 VAL 31 9.720 -0.184 -10.305 227 HG12 VAL 31 HG12 VAL 31 9.247 -1.664 -9.471 228 HG13 VAL 31 HG13 VAL 31 10.940 -1.170 -9.498 229 HG21 VAL 31 HG21 VAL 31 7.804 0.941 -8.435 230 HG22 VAL 31 HG22 VAL 31 9.093 1.581 -9.451 231 HG23 VAL 31 HG23 VAL 31 9.047 1.974 -7.734 232 H ASP 32 H ASP 32 11.097 -1.487 -5.810 233 HA ASP 32 HA ASP 32 11.933 -3.879 -7.076 234 HB2 ASP 32 HB3 ASP 32 12.260 -2.991 -4.191 235 HB3 ASP 32 HB2 ASP 32 13.104 -4.368 -4.900 236 H ASN 33 H ASN 33 9.610 -3.299 -4.496 237 HA ASN 33 HA ASN 33 9.057 -6.164 -4.152 238 HB2 ASN 33 HB3 ASN 33 7.619 -3.750 -3.035 239 HB3 ASN 33 HB2 ASN 33 7.386 -5.420 -2.522 240 HD21 ASN 33 HD22 ASN 33 8.717 -2.771 -1.335 241 HD22 ASN 33 HD21 ASN 33 10.121 -3.385 -0.605 242 H GLY 34 H GLY 34 8.564 -4.393 -6.663 243 HA2 GLY 34 HA3 GLY 34 5.913 -3.986 -7.281 244 HA3 GLY 34 HA2 GLY 34 7.053 -4.645 -8.457 245 H VAL 35 H VAL 35 7.319 -6.967 -6.347 246 HA VAL 35 HA VAL 35 5.750 -8.872 -7.704 247 HB VAL 35 HB VAL 35 7.577 -9.228 -5.895 248 HG11 VAL 35 HG11 VAL 35 5.154 -9.340 -4.104 249 HG12 VAL 35 HG12 VAL 35 6.141 -7.886 -4.234 250 HG13 VAL 35 HG13 VAL 35 6.856 -9.386 -3.643 251 HG21 VAL 35 HG21 VAL 35 6.679 -11.447 -5.377 252 HG22 VAL 35 HG22 VAL 35 6.305 -11.040 -7.052 253 HG23 VAL 35 HG23 VAL 35 5.055 -10.916 -5.815 254 H ILE 36 H ILE 36 4.926 -6.738 -5.029 255 HA ILE 36 HA ILE 36 2.327 -7.888 -4.497 256 HB ILE 36 HB ILE 36 3.765 -6.277 -3.033 257 HG12 ILE 36 HG13 ILE 36 0.776 -6.004 -3.448 258 HG13 ILE 36 HG12 ILE 36 1.607 -7.043 -2.295 259 HG21 ILE 36 HG21 ILE 36 3.501 -3.961 -3.397 260 HG22 ILE 36 HG22 ILE 36 2.117 -4.197 -4.465 261 HG23 ILE 36 HG23 ILE 36 3.741 -4.598 -5.024 262 HD11 ILE 36 HD11 ILE 36 1.338 -5.368 -0.801 263 HD12 ILE 36 HD12 ILE 36 0.893 -4.218 -2.061 264 HD13 ILE 36 HD13 ILE 36 2.593 -4.513 -1.698 265 H ASP 37 H ASP 37 3.551 -5.603 -6.816 266 HA ASP 37 HA ASP 37 1.157 -4.208 -7.412 267 HB2 ASP 37 HB3 ASP 37 3.516 -4.868 -9.185 268 HB3 ASP 37 HB2 ASP 37 2.228 -3.757 -9.633 269 H SER 38 H SER 38 2.194 -7.428 -8.446 270 HA SER 38 HA SER 38 -0.204 -7.538 -10.223 271 HB2 SER 38 2HB SER 38 2.447 -8.884 -10.261 272 HB3 SER 38 1HB SER 38 1.066 -9.808 -10.840 273 H LEU 39 H LEU 39 1.564 -9.908 -8.196 274 HA LEU 39 HA LEU 39 -0.820 -11.486 -7.832 275 HB2 LEU 39 HB3 LEU 39 1.865 -11.534 -6.468 276 HB3 LEU 39 HB2 LEU 39 0.592 -12.694 -6.113 277 HG LEU 39 HG LEU 39 0.578 -12.996 -8.740 278 HD11 LEU 39 HD11 LEU 39 2.168 -11.249 -9.280 279 HD12 LEU 39 HD12 LEU 39 2.925 -12.805 -9.616 280 HD13 LEU 39 HD13 LEU 39 3.348 -11.919 -8.152 281 HD21 LEU 39 HD21 LEU 39 2.516 -14.124 -6.727 282 HD22 LEU 39 HD22 LEU 39 2.508 -14.696 -8.396 283 HD23 LEU 39 HD23 LEU 39 1.065 -14.871 -7.396 284 H GLY 40 H GLY 40 1.022 -9.419 -5.579 285 HA2 GLY 40 HA3 GLY 40 -0.864 -9.736 -3.430 286 HA3 GLY 40 HA2 GLY 40 0.347 -8.463 -3.540 287 H LEU 41 H LEU 41 -0.526 -7.377 -6.039 288 HA LEU 41 HA LEU 41 -2.458 -5.503 -5.153 289 HB2 LEU 41 HB3 LEU 41 -0.889 -5.195 -7.094 290 HB3 LEU 41 HB2 LEU 41 -1.896 -6.301 -8.025 291 HG LEU 41 HG LEU 41 -3.324 -4.065 -6.688 292 HD11 LEU 41 HD11 LEU 41 -1.500 -3.644 -9.075 293 HD12 LEU 41 HD12 LEU 41 -1.298 -2.922 -7.479 294 HD13 LEU 41 HD13 LEU 41 -2.680 -2.477 -8.480 295 HD21 LEU 41 HD21 LEU 41 -3.493 -4.765 -9.595 296 HD22 LEU 41 HD22 LEU 41 -4.779 -4.307 -8.480 297 HD23 LEU 41 HD23 LEU 41 -4.104 -5.934 -8.427 298 H LEU 42 H LEU 42 -2.820 -8.467 -7.079 299 HA LEU 42 HA LEU 42 -5.607 -8.189 -7.605 300 HB2 LEU 42 HB3 LEU 42 -4.125 -9.922 -8.652 301 HB3 LEU 42 HB2 LEU 42 -4.088 -10.764 -7.111 302 HG LEU 42 HG LEU 42 -6.603 -10.874 -7.184 303 HD11 LEU 42 HD11 LEU 42 -7.595 -9.536 -8.702 304 HD12 LEU 42 HD12 LEU 42 -7.059 -10.682 -9.929 305 HD13 LEU 42 HD13 LEU 42 -6.077 -9.268 -9.556 306 HD21 LEU 42 HD21 LEU 42 -6.379 -12.443 -9.419 307 HD22 LEU 42 HD22 LEU 42 -5.870 -12.941 -7.806 308 HD23 LEU 42 HD23 LEU 42 -4.689 -12.284 -8.939 309 H LYS 43 H LYS 43 -3.868 -9.655 -4.868 310 HA LYS 43 HA LYS 43 -6.237 -10.466 -3.452 311 HB2 LYS 43 HB3 LYS 43 -3.446 -9.846 -2.468 312 HB3 LYS 43 HB2 LYS 43 -4.699 -10.611 -1.498 313 HG2 LYS 43 HG3 LYS 43 -4.851 -12.432 -3.198 314 HG3 LYS 43 HG2 LYS 43 -3.503 -11.692 -4.063 315 HD2 LYS 43 HD3 LYS 43 -2.113 -11.913 -1.998 316 HD3 LYS 43 HD2 LYS 43 -3.449 -12.772 -1.230 317 HE2 LYS 43 HE3 LYS 43 -3.318 -14.265 -3.413 318 HE3 LYS 43 HE2 LYS 43 -1.664 -13.657 -3.468 319 HZ1 LYS 43 HZ1 LYS 43 -1.308 -15.393 -2.103 320 HZ2 LYS 43 HZ2 LYS 43 -2.915 -15.460 -1.566 321 HZ3 LYS 43 HZ3 LYS 43 -1.849 -14.314 -0.906 322 H VAL 44 H VAL 44 -4.299 -7.508 -3.499 323 HA VAL 44 HA VAL 44 -5.510 -6.239 -1.244 324 HB VAL 44 HB VAL 44 -4.218 -5.081 -3.722 325 HG11 VAL 44 HG11 VAL 44 -3.995 -3.218 -1.692 326 HG12 VAL 44 HG12 VAL 44 -5.640 -3.819 -1.485 327 HG13 VAL 44 HG13 VAL 44 -5.141 -3.130 -3.030 328 HG21 VAL 44 HG21 VAL 44 -3.110 -6.524 -1.665 329 HG22 VAL 44 HG22 VAL 44 -2.942 -4.872 -1.070 330 HG23 VAL 44 HG23 VAL 44 -2.240 -5.326 -2.623 331 H ILE 45 H ILE 45 -6.289 -5.964 -4.731 332 HA ILE 45 HA ILE 45 -8.443 -4.142 -4.400 333 HB ILE 45 HB ILE 45 -8.109 -6.295 -6.513 334 HG12 ILE 45 HG13 ILE 45 -6.140 -4.868 -6.474 335 HG13 ILE 45 HG12 ILE 45 -7.131 -4.399 -7.850 336 HG21 ILE 45 HG21 ILE 45 -9.679 -3.711 -6.481 337 HG22 ILE 45 HG22 ILE 45 -10.363 -5.336 -6.423 338 HG23 ILE 45 HG23 ILE 45 -9.513 -4.787 -7.868 339 HD11 ILE 45 HD11 ILE 45 -6.631 -2.328 -6.902 340 HD12 ILE 45 HD12 ILE 45 -6.687 -2.954 -5.255 341 HD13 ILE 45 HD13 ILE 45 -8.184 -2.691 -6.151 342 H ALA 46 H ALA 46 -8.390 -7.704 -4.393 343 HA ALA 46 HA ALA 46 -11.234 -8.021 -4.144 344 HB1 ALA 46 HB1 ALA 46 -10.111 -9.982 -4.770 345 HB2 ALA 46 HB2 ALA 46 -10.460 -10.281 -3.067 346 HB3 ALA 46 HB3 ALA 46 -8.848 -9.759 -3.559 347 H TRP 47 H TRP 47 -8.624 -7.859 -1.717 348 HA TRP 47 HA TRP 47 -10.416 -8.183 0.531 349 HB2 TRP 47 HB3 TRP 47 -8.268 -8.674 1.196 350 HB3 TRP 47 HB2 TRP 47 -7.552 -7.460 0.136 351 HD1 TRP 47 HD1 TRP 47 -9.289 -7.824 3.532 352 HE1 TRP 47 HE1 TRP 47 -8.762 -5.731 4.947 353 HE3 TRP 47 HE3 TRP 47 -6.875 -4.990 0.047 354 HZ2 TRP 47 HZ2 TRP 47 -7.475 -3.192 4.633 355 HZ3 TRP 47 HZ3 TRP 47 -6.007 -2.747 0.623 356 HH2 TRP 47 HH2 TRP 47 -6.303 -1.845 2.908 357 H LEU 48 H LEU 48 -9.001 -5.386 -1.137 358 HA LEU 48 HA LEU 48 -9.879 -3.365 0.634 359 HB2 LEU 48 HB3 LEU 48 -8.361 -3.065 -1.360 360 HB3 LEU 48 HB2 LEU 48 -9.782 -3.171 -2.387 361 HG LEU 48 HG LEU 48 -10.710 -1.301 -0.796 362 HD11 LEU 48 HD11 LEU 48 -7.878 -0.427 -0.683 363 HD12 LEU 48 HD12 LEU 48 -8.350 -1.689 0.452 364 HD13 LEU 48 HD13 LEU 48 -9.188 -0.138 0.460 365 HD21 LEU 48 HD21 LEU 48 -8.903 -1.201 -3.153 366 HD22 LEU 48 HD22 LEU 48 -9.154 0.324 -2.303 367 HD23 LEU 48 HD23 LEU 48 -10.533 -0.557 -2.961 368 H GLU 49 H GLU 49 -11.561 -4.931 -2.081 369 HA GLU 49 HA GLU 49 -13.945 -3.348 -1.929 370 HB2 GLU 49 HB3 GLU 49 -13.465 -4.730 -3.885 371 HB3 GLU 49 HB2 GLU 49 -13.513 -6.187 -2.907 372 HG2 GLU 49 HG3 GLU 49 -15.885 -5.750 -2.387 373 HG3 GLU 49 HG2 GLU 49 -15.835 -4.313 -3.397 374 H ASP 50 H ASP 50 -12.957 -6.355 -0.337 375 HA ASP 50 HA ASP 50 -15.472 -6.863 0.939 376 HB2 ASP 50 HB3 ASP 50 -13.624 -8.528 0.662 377 HB3 ASP 50 HB2 ASP 50 -12.725 -7.657 1.902 378 H ARG 51 H ARG 51 -12.617 -5.016 1.961 379 HA ARG 51 HA ARG 51 -13.800 -4.518 4.599 380 HB2 ARG 51 HB3 ARG 51 -11.345 -4.816 4.278 381 HB3 ARG 51 HB2 ARG 51 -11.314 -3.296 3.381 382 HG2 ARG 51 HG3 ARG 51 -12.232 -2.119 5.351 383 HG3 ARG 51 HG2 ARG 51 -12.238 -3.635 6.250 384 HD2 ARG 51 HD3 ARG 51 -9.765 -3.801 5.882 385 HD3 ARG 51 HD2 ARG 51 -9.810 -2.203 5.135 386 HE ARG 51 HE ARG 51 -11.039 -2.114 7.736 387 HH11 ARG 51 HH22 ARG 51 -8.028 -2.362 6.076 388 HH12 ARG 51 HH21 ARG 51 -7.113 -1.626 7.349 389 HH21 ARG 51 HH11 ARG 51 -9.863 -1.152 9.408 390 HH22 ARG 51 HH12 ARG 51 -8.152 -0.941 9.236 391 H PHE 52 H PHE 52 -12.935 -2.411 1.797 392 HA PHE 52 HA PHE 52 -14.422 -0.224 3.111 393 HB2 PHE 52 HB3 PHE 52 -12.750 -0.326 0.590 394 HB3 PHE 52 HB2 PHE 52 -13.544 1.124 1.195 395 HD1 PHE 52 HD2 PHE 52 -12.867 2.130 3.356 396 HD2 PHE 52 HD1 PHE 52 -10.794 -1.237 1.679 397 HE1 PHE 52 HE2 PHE 52 -10.973 2.523 4.908 398 HE2 PHE 52 HE1 PHE 52 -8.900 -0.844 3.231 399 HZ PHE 52 HZ PHE 52 -8.990 1.036 4.845 400 H GLY 53 H GLY 53 -15.197 -2.728 1.011 401 HA2 GLY 53 HA3 GLY 53 -17.180 -3.096 -0.213 402 HA3 GLY 53 HA2 GLY 53 -17.786 -1.575 0.444 403 H ILE 54 H ILE 54 -14.727 -1.644 -1.240 404 HA ILE 54 HA ILE 54 -15.911 0.119 -3.313 405 HB ILE 54 HB ILE 54 -13.016 -0.635 -2.806 406 HG12 ILE 54 HG13 ILE 54 -14.487 1.910 -2.064 407 HG13 ILE 54 HG12 ILE 54 -14.194 0.591 -0.930 408 HG21 ILE 54 HG21 ILE 54 -12.727 1.584 -4.105 409 HG22 ILE 54 HG22 ILE 54 -14.398 1.345 -4.618 410 HG23 ILE 54 HG23 ILE 54 -13.168 0.151 -5.033 411 HD11 ILE 54 HD11 ILE 54 -12.441 2.290 -0.706 412 HD12 ILE 54 HD12 ILE 54 -12.071 2.158 -2.425 413 HD13 ILE 54 HD13 ILE 54 -11.757 0.797 -1.348 414 H ALA 55 H ALA 55 -16.274 -0.587 -5.375 415 HA ALA 55 HA ALA 55 -16.118 -3.353 -6.042 416 HB1 ALA 55 HB1 ALA 55 -17.376 -2.659 -7.775 417 HB2 ALA 55 HB2 ALA 55 -16.033 -1.710 -8.412 418 HB3 ALA 55 HB3 ALA 55 -17.137 -0.998 -7.235 419 H ALA 56 H ALA 56 -14.603 -4.518 -7.233 420 HA ALA 56 HA ALA 56 -11.877 -3.735 -7.021 421 HB1 ALA 56 HB1 ALA 56 -11.484 -5.668 -8.620 422 HB2 ALA 56 HB2 ALA 56 -13.235 -5.849 -8.706 423 HB3 ALA 56 HB3 ALA 56 -12.400 -6.074 -7.169 424 H ASP 57 H ASP 57 -14.196 -3.453 -9.673 425 HA ASP 57 HA ASP 57 -12.097 -2.283 -11.409 426 HB2 ASP 57 HB3 ASP 57 -14.984 -3.008 -11.926 427 HB3 ASP 57 HB2 ASP 57 -13.922 -2.280 -13.129 428 H ASP 58 H ASP 58 -13.914 -1.121 -8.984 429 HA ASP 58 HA ASP 58 -15.310 1.111 -10.007 430 HB2 ASP 58 HB3 ASP 58 -15.291 0.299 -7.609 431 HB3 ASP 58 HB2 ASP 58 -13.730 1.098 -7.436 432 H VAL 59 H VAL 59 -11.872 0.748 -9.221 433 HA VAL 59 HA VAL 59 -11.368 3.258 -10.759 434 HB VAL 59 HB VAL 59 -9.625 3.883 -9.139 435 HG11 VAL 59 HG11 VAL 59 -11.108 4.878 -7.704 436 HG12 VAL 59 HG12 VAL 59 -11.923 3.359 -7.331 437 HG13 VAL 59 HG13 VAL 59 -12.296 4.216 -8.827 438 HG21 VAL 59 HG21 VAL 59 -8.761 2.277 -7.814 439 HG22 VAL 59 HG22 VAL 59 -10.035 1.156 -8.293 440 HG23 VAL 59 HG23 VAL 59 -10.283 2.240 -6.924 441 H GLU 60 H GLU 60 -9.233 3.318 -11.758 442 HA GLU 60 HA GLU 60 -8.115 0.577 -12.176 443 HB2 GLU 60 HB3 GLU 60 -9.014 1.723 -14.199 444 HB3 GLU 60 HB2 GLU 60 -7.850 3.020 -13.949 445 HG2 GLU 60 HG3 GLU 60 -6.013 1.377 -14.105 446 HG3 GLU 60 HG2 GLU 60 -7.192 0.110 -14.419 447 H LEU 61 H LEU 61 -5.986 0.212 -11.674 448 HA LEU 61 HA LEU 61 -4.445 2.532 -10.608 449 HB2 LEU 61 HB3 LEU 61 -3.972 -0.412 -10.076 450 HB3 LEU 61 HB2 LEU 61 -3.255 0.954 -9.226 451 HG LEU 61 HG LEU 61 -6.156 0.123 -9.215 452 HD11 LEU 61 HD11 LEU 61 -4.545 -1.077 -7.705 453 HD12 LEU 61 HD12 LEU 61 -5.806 -0.196 -6.841 454 HD13 LEU 61 HD13 LEU 61 -4.179 0.474 -6.949 455 HD21 LEU 61 HD21 LEU 61 -6.299 2.468 -9.249 456 HD22 LEU 61 HD22 LEU 61 -4.795 2.665 -8.350 457 HD23 LEU 61 HD23 LEU 61 -6.250 2.108 -7.524 458 H SER 62 H SER 62 -2.350 2.901 -11.376 459 HA SER 62 HA SER 62 -1.513 1.228 -13.704 460 HB2 SER 62 HB3 SER 62 -1.625 3.200 -14.813 461 HB3 SER 62 HB2 SER 62 -1.731 4.124 -13.319 462 HG SER 62 HG SER 62 0.244 4.654 -13.861 463 HA PRO 63 HA PRO 63 2.264 0.192 -11.707 464 HB2 PRO 63 HB2 PRO 63 4.114 0.796 -13.708 465 HB3 PRO 63 HB3 PRO 63 3.192 -0.712 -13.589 466 HG2 PRO 63 HG3 PRO 63 2.720 1.667 -15.293 467 HG3 PRO 63 HG2 PRO 63 2.429 -0.048 -15.632 468 HD2 PRO 63 HD3 PRO 63 0.413 1.669 -15.023 469 HD3 PRO 63 HD2 PRO 63 0.367 -0.049 -14.569 470 H GLU 64 H GLU 64 2.232 3.322 -13.349 471 HA GLU 64 HA GLU 64 4.529 4.425 -12.041 472 HB2 GLU 64 HB3 GLU 64 2.097 5.756 -13.233 473 HB3 GLU 64 HB2 GLU 64 3.532 6.621 -12.696 474 HG2 GLU 64 HG3 GLU 64 3.515 4.434 -14.782 475 HG3 GLU 64 HG2 GLU 64 3.583 6.156 -15.129 476 H HIS 65 H HIS 65 1.184 4.047 -11.087 477 HA HIS 65 HA HIS 65 1.208 5.959 -8.935 478 HB2 HIS 65 HB3 HIS 65 -0.859 4.970 -9.953 479 HB3 HIS 65 HB2 HIS 65 -0.465 3.442 -9.165 480 HD1 HIS 65 HD1 HIS 65 -0.771 7.098 -8.075 481 HD2 HIS 65 HD2 HIS 65 -1.694 3.267 -6.705 482 HE1 HIS 65 HE1 HIS 65 -1.935 7.395 -5.844 483 HE2 HIS 65 HE2 HIS 65 -2.498 5.070 -5.000 484 H PHE 66 H PHE 66 2.364 2.672 -9.225 485 HA PHE 66 HA PHE 66 2.685 2.428 -6.293 486 HB2 PHE 66 HB3 PHE 66 3.325 0.531 -8.570 487 HB3 PHE 66 HB2 PHE 66 3.558 0.153 -6.864 488 HD1 PHE 66 HD1 PHE 66 1.598 0.060 -5.319 489 HD2 PHE 66 HD2 PHE 66 1.140 0.525 -9.564 490 HE1 PHE 66 HE1 PHE 66 -0.790 -0.583 -5.132 491 HE2 PHE 66 HE2 PHE 66 -1.247 -0.119 -9.377 492 HZ PHE 66 HZ PHE 66 -2.212 -0.672 -7.161 493 H ARG 67 H ARG 67 4.322 4.087 -8.519 494 HA ARG 67 HA ARG 67 6.998 3.208 -8.424 495 HB2 ARG 67 HB3 ARG 67 6.244 5.028 -9.890 496 HB3 ARG 67 HB2 ARG 67 5.944 6.052 -8.492 497 HG2 ARG 67 HG3 ARG 67 8.069 6.705 -9.403 498 HG3 ARG 67 HG2 ARG 67 8.401 5.818 -7.924 499 HD2 ARG 67 HD3 ARG 67 9.007 3.837 -9.147 500 HD3 ARG 67 HD2 ARG 67 8.413 4.523 -10.660 501 HE ARG 67 HE ARG 67 10.489 6.169 -9.495 502 HH11 ARG 67 HH22 ARG 67 9.806 3.283 -11.255 503 HH12 ARG 67 HH21 ARG 67 11.341 3.250 -12.055 504 HH21 ARG 67 HH11 ARG 67 12.498 6.141 -10.531 505 HH22 ARG 67 HH12 ARG 67 12.865 4.868 -11.646 506 H SER 68 H SER 68 5.195 5.184 -6.066 507 HA SER 68 HA SER 68 7.375 4.605 -4.121 508 HB2 SER 68 HB3 SER 68 7.446 6.906 -3.362 509 HB3 SER 68 HB2 SER 68 7.728 6.888 -5.101 510 HG SER 68 HG SER 68 5.233 7.088 -5.042 511 H ILE 69 H ILE 69 6.676 4.807 -1.879 512 HA ILE 69 HA ILE 69 4.076 3.759 -1.381 513 HB ILE 69 HB ILE 69 5.970 5.177 0.514 514 HG12 ILE 69 HG13 ILE 69 5.644 2.227 -0.047 515 HG13 ILE 69 HG12 ILE 69 6.931 3.218 -0.716 516 HG21 ILE 69 HG21 ILE 69 3.339 4.162 0.855 517 HG22 ILE 69 HG22 ILE 69 4.430 4.791 2.089 518 HG23 ILE 69 HG23 ILE 69 4.449 3.075 1.685 519 HD11 ILE 69 HD11 ILE 69 7.757 3.745 1.508 520 HD12 ILE 69 HD12 ILE 69 7.621 1.994 1.354 521 HD13 ILE 69 HD13 ILE 69 6.398 2.898 2.246 522 H ARG 70 H ARG 70 5.366 7.058 -1.286 523 HA ARG 70 HA ARG 70 3.165 8.316 -0.001 524 HB2 ARG 70 HB3 ARG 70 5.061 9.389 -2.110 525 HB3 ARG 70 HB2 ARG 70 3.965 10.385 -1.153 526 HG2 ARG 70 HG3 ARG 70 5.047 9.515 0.920 527 HG3 ARG 70 HG2 ARG 70 6.200 8.638 -0.085 528 HD2 ARG 70 HD3 ARG 70 5.797 11.643 -0.031 529 HD3 ARG 70 HD2 ARG 70 7.181 10.766 0.622 530 HE ARG 70 HE ARG 70 7.035 10.014 -2.070 531 HH11 ARG 70 HH22 ARG 70 7.317 12.903 -0.209 532 HH12 ARG 70 HH21 ARG 70 8.229 13.749 -1.415 533 HH21 ARG 70 HH11 ARG 70 8.222 11.102 -3.655 534 HH22 ARG 70 HH12 ARG 70 8.741 12.729 -3.366 535 H SER 71 H SER 71 3.682 7.500 -3.425 536 HA SER 71 HA SER 71 1.458 8.927 -4.477 537 HB2 SER 71 HB3 SER 71 3.250 7.809 -5.836 538 HB3 SER 71 HB2 SER 71 2.516 6.257 -5.445 539 HG SER 71 HG SER 71 1.797 8.086 -7.294 540 H ILE 72 H ILE 72 1.660 5.579 -3.246 541 HA ILE 72 HA ILE 72 -1.073 4.922 -3.729 542 HB ILE 72 HB ILE 72 0.806 3.866 -1.595 543 HG12 ILE 72 HG13 ILE 72 0.229 2.833 -4.392 544 HG13 ILE 72 HG12 ILE 72 1.686 3.716 -3.933 545 HG21 ILE 72 HG21 ILE 72 -0.986 1.910 -2.584 546 HG22 ILE 72 HG22 ILE 72 -1.948 3.342 -2.221 547 HG23 ILE 72 HG23 ILE 72 -0.946 2.612 -0.967 548 HD11 ILE 72 HD11 ILE 72 1.786 1.847 -2.035 549 HD12 ILE 72 HD12 ILE 72 2.447 1.553 -3.643 550 HD13 ILE 72 HD13 ILE 72 0.850 0.936 -3.221 551 H ASP 73 H ASP 73 0.580 6.372 -0.941 552 HA ASP 73 HA ASP 73 -1.583 6.323 0.888 553 HB2 ASP 73 HB3 ASP 73 0.795 7.005 1.395 554 HB3 ASP 73 HB2 ASP 73 0.451 8.552 0.620 555 H ALA 74 H ALA 74 -0.821 8.631 -1.704 556 HA ALA 74 HA ALA 74 -2.834 10.545 -1.012 557 HB1 ALA 74 HB1 ALA 74 -1.607 9.879 -3.702 558 HB2 ALA 74 HB2 ALA 74 -1.049 11.115 -2.574 559 HB3 ALA 74 HB3 ALA 74 -2.606 11.296 -3.382 560 H PHE 75 H PHE 75 -2.902 7.776 -3.268 561 HA PHE 75 HA PHE 75 -5.609 8.188 -4.107 562 HB2 PHE 75 HB3 PHE 75 -4.015 6.673 -5.271 563 HB3 PHE 75 HB2 PHE 75 -4.122 5.564 -3.907 564 HD1 PHE 75 HD2 PHE 75 -6.008 7.121 -6.686 565 HD2 PHE 75 HD1 PHE 75 -6.065 4.182 -3.553 566 HE1 PHE 75 HE2 PHE 75 -8.077 6.142 -7.642 567 HE2 PHE 75 HE1 PHE 75 -8.134 3.204 -4.509 568 HZ PHE 75 HZ PHE 75 -9.139 4.186 -6.553 569 H VAL 76 H VAL 76 -4.215 6.200 -1.504 570 HA VAL 76 HA VAL 76 -6.675 5.089 -0.597 571 HB VAL 76 HB VAL 76 -4.073 5.676 0.836 572 HG11 VAL 76 HG11 VAL 76 -4.972 3.988 2.498 573 HG12 VAL 76 HG12 VAL 76 -6.547 4.191 1.733 574 HG13 VAL 76 HG13 VAL 76 -5.769 5.561 2.524 575 HG21 VAL 76 HG21 VAL 76 -3.409 3.582 0.172 576 HG22 VAL 76 HG22 VAL 76 -4.547 3.884 -1.140 577 HG23 VAL 76 HG23 VAL 76 -5.044 2.926 0.255 578 H VAL 77 H VAL 77 -4.926 8.049 0.381 579 HA VAL 77 HA VAL 77 -6.722 8.810 2.457 580 HB VAL 77 HB VAL 77 -4.906 10.424 0.650 581 HG11 VAL 77 HG11 VAL 77 -5.201 12.178 2.471 582 HG12 VAL 77 HG12 VAL 77 -6.595 11.245 3.016 583 HG13 VAL 77 HG13 VAL 77 -6.582 11.948 1.400 584 HG21 VAL 77 HG21 VAL 77 -4.248 8.660 2.607 585 HG22 VAL 77 HG22 VAL 77 -4.449 10.124 3.569 586 HG23 VAL 77 HG23 VAL 77 -3.290 10.094 2.240 587 H GLY 78 H GLY 78 -6.696 9.522 -1.023 588 HA2 GLY 78 HA3 GLY 78 -8.835 11.379 -1.069 589 HA3 GLY 78 HA2 GLY 78 -8.388 10.339 -2.420 590 H ALA 79 H ALA 79 -8.882 7.860 -0.833 591 HA ALA 79 HA ALA 79 -11.839 7.892 -1.116 592 HB1 ALA 79 HB1 ALA 79 -10.924 5.257 -0.658 593 HB2 ALA 79 HB2 ALA 79 -9.769 5.999 -1.765 594 HB3 ALA 79 HB3 ALA 79 -11.481 5.946 -2.183 595 H THR 80 H THR 80 -9.343 6.634 1.102 596 HA THR 80 HA THR 80 -11.251 7.089 3.335 597 HB THR 80 HB THR 80 -11.324 4.664 2.560 598 HG1 THR 80 HG1 THR 80 -11.652 4.128 4.580 599 HG21 THR 80 HG21 THR 80 -8.806 4.096 3.979 600 HG22 THR 80 HG22 THR 80 -8.599 4.920 2.433 601 HG23 THR 80 HG23 THR 80 -9.456 3.380 2.504 602 H THR 81 H THR 81 -10.166 7.376 5.390 603 HA THR 81 HA THR 81 -7.208 7.629 5.222 604 HB THR 81 HB THR 81 -7.916 9.863 4.846 605 HG1 THR 81 HG1 THR 81 -6.549 9.290 6.850 606 HG21 THR 81 HG21 THR 81 -10.134 9.040 6.603 607 HG22 THR 81 HG22 THR 81 -10.121 10.193 5.268 608 HG23 THR 81 HG23 THR 81 -9.570 10.690 6.868 609 HA PRO 82 HA PRO 82 -8.425 5.572 9.144 610 HB2 PRO 82 HB2 PRO 82 -6.573 3.588 9.069 611 HB3 PRO 82 HB3 PRO 82 -8.100 3.501 8.171 612 HG2 PRO 82 HG3 PRO 82 -5.362 4.071 7.196 613 HG3 PRO 82 HG2 PRO 82 -6.706 3.251 6.387 614 HD2 PRO 82 HD3 PRO 82 -5.923 5.918 5.969 615 HD3 PRO 82 HD2 PRO 82 -7.468 5.199 5.466 616 HA PRO 83 HA PRO 83 -5.369 7.477 11.730 617 HB2 PRO 83 HB2 PRO 83 -5.313 5.693 13.851 618 HB3 PRO 83 HB3 PRO 83 -6.548 6.945 13.620 619 HG2 PRO 83 HG3 PRO 83 -6.666 4.038 13.031 620 HG3 PRO 83 HG2 PRO 83 -7.930 5.125 13.628 621 HD2 PRO 83 HD3 PRO 83 -7.826 4.285 11.036 622 HD3 PRO 83 HD2 PRO 83 -8.486 5.868 11.505 623 H VAL 84 H VAL 84 -3.122 7.333 12.205 624 HA VAL 84 HA VAL 84 -1.823 4.712 11.577 625 HB VAL 84 HB VAL 84 -1.673 6.369 9.676 626 HG11 VAL 84 HG11 VAL 84 0.152 7.867 11.575 627 HG12 VAL 84 HG12 VAL 84 -1.506 8.362 11.230 628 HG13 VAL 84 HG13 VAL 84 -0.307 8.336 9.938 629 HG21 VAL 84 HG21 VAL 84 0.859 5.514 11.105 630 HG22 VAL 84 HG22 VAL 84 0.822 6.111 9.446 631 HG23 VAL 84 HG23 VAL 84 -0.014 4.616 9.865 632 H GLU 85 H GLU 85 -0.229 4.129 12.996 633 HA GLU 85 HA GLU 85 0.097 5.629 15.445 634 HB2 GLU 85 HB3 GLU 85 1.628 3.260 14.332 635 HB3 GLU 85 HB2 GLU 85 1.812 3.889 15.970 636 HG2 GLU 85 HG3 GLU 85 -0.608 3.497 16.371 637 HG3 GLU 85 HG2 GLU 85 -0.745 2.802 14.755 638 H ALA 86 H ALA 86 1.959 5.336 12.467 639 HA ALA 86 HA ALA 86 3.805 7.440 13.520 640 HB1 ALA 86 HB1 ALA 86 5.644 6.369 12.275 641 HB2 ALA 86 HB2 ALA 86 4.552 5.082 11.765 642 HB3 ALA 86 HB3 ALA 86 4.966 5.263 13.470 643 H LYS 87 H LYS 87 4.968 8.554 11.638 644 HA LYS 87 HA LYS 87 4.807 9.879 9.719 645 HB2 LYS 87 HB3 LYS 87 3.194 7.516 8.701 646 HB3 LYS 87 HB2 LYS 87 3.831 8.821 7.706 647 HG2 LYS 87 HG3 LYS 87 6.134 8.233 8.496 648 HG3 LYS 87 HG2 LYS 87 5.446 6.841 9.335 649 HD2 LYS 87 HD3 LYS 87 4.497 6.064 7.142 650 HD3 LYS 87 HD2 LYS 87 5.365 7.380 6.352 651 HE2 LYS 87 HE3 LYS 87 6.416 4.863 7.540 652 HE3 LYS 87 HE2 LYS 87 6.977 5.762 6.130 653 HZ1 LYS 87 HZ1 LYS 87 7.927 7.419 7.588 654 HZ2 LYS 87 HZ2 LYS 87 8.544 5.888 7.978 655 HZ3 LYS 87 HZ3 LYS 87 7.350 6.595 8.958 656 H LEU 88 H LEU 88 3.002 10.493 11.763 657 HA LEU 88 HA LEU 88 0.272 10.628 11.000 658 HB2 LEU 88 HB3 LEU 88 1.152 11.178 13.277 659 HB3 LEU 88 HB2 LEU 88 1.819 12.673 12.622 660 HG LEU 88 HG LEU 88 -0.505 13.287 11.858 661 HD11 LEU 88 HD11 LEU 88 -1.762 11.332 11.769 662 HD12 LEU 88 HD12 LEU 88 -2.270 11.976 13.329 663 HD13 LEU 88 HD13 LEU 88 -1.065 10.691 13.257 664 HD21 LEU 88 HD21 LEU 88 0.607 14.005 14.058 665 HD22 LEU 88 HD22 LEU 88 -0.395 12.781 14.838 666 HD23 LEU 88 HD23 LEU 88 -1.151 14.131 13.991 667 H GLN 89 H GLN 89 3.003 12.755 10.241 668 HA GLN 89 HA GLN 89 1.230 14.555 8.702 669 HB2 GLN 89 HB3 GLN 89 4.219 14.617 9.216 670 HB3 GLN 89 HB2 GLN 89 3.332 15.847 8.316 671 HG2 GLN 89 HG3 GLN 89 1.952 16.328 10.285 672 HG3 GLN 89 HG2 GLN 89 2.778 15.061 11.192 673 HE21 GLN 89 HE22 GLN 89 2.850 17.740 12.131 674 HE22 GLN 89 HE21 GLN 89 4.430 18.338 11.967 675 H1 PN7 101 3HO SAT 38 0.217 -3.682 -15.582 676 H2 PN7 101 1H1 SAT 38 3.182 -4.593 -11.552 677 H3 PN7 101 2H1 SAT 38 1.478 -5.019 -11.380 678 H5 PN7 101 3HE1 SAT 38 2.684 -2.643 -14.704 679 H6 PN7 101 1HE1 SAT 38 3.142 -4.342 -14.580 680 H7 PN7 101 2HE1 SAT 38 3.902 -3.145 -13.531 681 H8 PN7 101 2HE2 SAT 38 1.134 -2.598 -11.262 682 H9 PN7 101 3HE2 SAT 38 1.270 -1.607 -12.713 683 H10 PN7 101 1HE2 SAT 38 2.717 -2.050 -11.808 684 H11 PN7 101 3H SAT 38 0.548 -4.993 -13.981 685 H12 PN7 101 5H SAT 38 -0.957 -1.720 -12.687 686 H13 PN7 101 2H6 SAT 38 -2.600 -3.149 -14.530 687 H14 PN7 101 1H6 SAT 38 -3.109 -1.723 -13.627 688 H15 PN7 101 1H7 SAT 38 -4.568 -3.231 -12.689 689 H16 PN7 101 2H7 SAT 38 -3.186 -3.538 -11.636 690 H17 PN7 101 9H SAT 38 -1.719 -5.805 -12.718 691 H18 PN7 101 2H10 SAT 38 -4.187 -6.611 -11.268 692 H19 PN7 101 1H10 SAT 38 -2.545 -7.078 -10.825 693 H20 PN7 101 1H11 SAT 38 -2.401 -8.594 -12.706 694 H21 PN7 101 2H11 SAT 38 -3.940 -8.018 -13.346 695 H22 PN7 101 2HS1 SAT 38 -3.781 -10.270 -11.507 Start of MODEL 5 1 H1 MET 1 H1 MET 1 2.746 15.235 -1.294 2 H2 MET 1 H2 MET 1 1.410 15.553 -0.294 3 H3 MET 1 H3 MET 1 1.388 14.220 -1.348 4 HA MET 1 HA MET 1 2.384 12.912 0.119 5 HB2 MET 1 HB3 MET 1 4.289 15.238 0.520 6 HB3 MET 1 HB2 MET 1 4.511 13.634 1.222 7 HG2 MET 1 HG3 MET 1 4.464 12.662 -1.073 8 HG3 MET 1 HG2 MET 1 4.359 14.294 -1.732 9 HE1 MET 1 HE1 MET 1 6.915 12.261 -2.548 10 HE2 MET 1 HE2 MET 1 7.870 13.723 -2.782 11 HE3 MET 1 HE3 MET 1 6.142 13.719 -3.164 12 H GLN 2 H GLN 2 0.119 14.123 0.966 13 HA GLN 2 HA GLN 2 0.261 15.686 3.334 14 HB2 GLN 2 HB3 GLN 2 -1.798 13.609 2.522 15 HB3 GLN 2 HB2 GLN 2 -2.016 14.796 3.808 16 HG2 GLN 2 HG3 GLN 2 -1.729 16.626 2.186 17 HG3 GLN 2 HG2 GLN 2 -1.485 15.448 0.894 18 HE21 GLN 2 HE22 GLN 2 -3.647 17.324 0.790 19 HE22 GLN 2 HE21 GLN 2 -5.105 16.469 0.947 20 H HIS 3 H HIS 3 0.488 12.196 2.828 21 HA HIS 3 HA HIS 3 1.733 11.900 5.472 22 HB2 HIS 3 HB3 HIS 3 -0.812 10.389 4.799 23 HB3 HIS 3 HB2 HIS 3 0.152 10.204 6.264 24 HD1 HIS 3 HD1 HIS 3 0.408 12.524 7.719 25 HD2 HIS 3 HD2 HIS 3 -2.761 12.349 5.011 26 HE1 HIS 3 HE1 HIS 3 -1.219 14.345 8.398 27 HE2 HIS 3 HE2 HIS 3 -3.150 14.247 6.757 28 H ALA 4 H ALA 4 2.821 11.565 2.928 29 HA ALA 4 HA ALA 4 2.657 8.933 1.860 30 HB1 ALA 4 HB1 ALA 4 3.768 10.422 0.453 31 HB2 ALA 4 HB2 ALA 4 5.123 9.524 1.138 32 HB3 ALA 4 HB3 ALA 4 4.712 11.119 1.770 33 H SER 5 H SER 5 4.567 10.250 4.535 34 HA SER 5 HA SER 5 6.359 8.071 4.863 35 HB2 SER 5 HB3 SER 5 5.126 9.761 7.057 36 HB3 SER 5 HB2 SER 5 6.624 8.840 7.164 37 HG SER 5 HG SER 5 7.619 10.303 5.975 38 H VAL 6 H VAL 6 3.057 8.553 6.069 39 HA VAL 6 HA VAL 6 2.975 6.126 7.618 40 HB VAL 6 HB VAL 6 0.779 7.793 6.378 41 HG11 VAL 6 HG11 VAL 6 -0.120 5.580 6.635 42 HG12 VAL 6 HG12 VAL 6 -0.682 6.512 8.023 43 HG13 VAL 6 HG13 VAL 6 0.660 5.381 8.204 44 HG21 VAL 6 HG21 VAL 6 0.804 8.997 8.312 45 HG22 VAL 6 HG22 VAL 6 2.435 8.351 8.494 46 HG23 VAL 6 HG23 VAL 6 1.080 7.565 9.304 47 H ILE 7 H ILE 7 2.219 6.911 4.256 48 HA ILE 7 HA ILE 7 0.964 4.467 3.542 49 HB ILE 7 HB ILE 7 2.751 6.248 1.862 50 HG12 ILE 7 HG13 ILE 7 -0.269 6.204 2.166 51 HG13 ILE 7 HG12 ILE 7 0.793 7.375 2.948 52 HG21 ILE 7 HG21 ILE 7 1.474 5.267 -0.035 53 HG22 ILE 7 HG22 ILE 7 0.668 4.178 1.094 54 HG23 ILE 7 HG23 ILE 7 2.407 4.047 0.832 55 HD11 ILE 7 HD11 ILE 7 1.616 7.470 0.310 56 HD12 ILE 7 HD12 ILE 7 0.527 8.623 1.080 57 HD13 ILE 7 HD13 ILE 7 -0.129 7.263 0.168 58 H ALA 8 H ALA 8 4.416 5.384 3.308 59 HA ALA 8 HA ALA 8 5.307 2.816 2.398 60 HB1 ALA 8 HB1 ALA 8 6.551 5.155 2.578 61 HB2 ALA 8 HB2 ALA 8 7.460 3.646 2.658 62 HB3 ALA 8 HB3 ALA 8 7.056 4.512 4.141 63 H GLN 9 H GLN 9 5.068 4.245 5.632 64 HA GLN 9 HA GLN 9 6.095 1.982 7.062 65 HB2 GLN 9 HB3 GLN 9 5.832 4.263 8.039 66 HB3 GLN 9 HB2 GLN 9 4.082 4.058 7.985 67 HG2 GLN 9 HG3 GLN 9 4.975 1.751 9.258 68 HG3 GLN 9 HG2 GLN 9 6.004 3.020 9.920 69 HE21 GLN 9 HE22 GLN 9 2.515 2.703 9.018 70 HE22 GLN 9 HE21 GLN 9 1.936 3.439 10.436 71 H PHE 10 H PHE 10 2.841 2.952 6.096 72 HA PHE 10 HA PHE 10 1.381 0.889 7.395 73 HB2 PHE 10 HB3 PHE 10 0.418 2.937 6.298 74 HB3 PHE 10 HB2 PHE 10 0.759 2.204 4.733 75 HD1 PHE 10 HD2 PHE 10 -0.502 0.255 3.951 76 HD2 PHE 10 HD1 PHE 10 -1.332 2.079 7.750 77 HE1 PHE 10 HE2 PHE 10 -2.657 -0.967 4.068 78 HE2 PHE 10 HE1 PHE 10 -3.487 0.860 7.865 79 HZ PHE 10 HZ PHE 10 -4.149 -0.658 6.025 80 H VAL 11 H VAL 11 2.668 1.060 4.081 81 HA VAL 11 HA VAL 11 1.911 -1.666 3.448 82 HB VAL 11 HB VAL 11 3.954 0.130 2.111 83 HG11 VAL 11 HG11 VAL 11 2.772 -2.534 1.509 84 HG12 VAL 11 HG12 VAL 11 4.361 -1.889 1.100 85 HG13 VAL 11 HG13 VAL 11 2.950 -1.420 0.153 86 HG21 VAL 11 HG21 VAL 11 2.151 1.387 1.588 87 HG22 VAL 11 HG22 VAL 11 1.036 0.183 2.234 88 HG23 VAL 11 HG23 VAL 11 1.629 0.038 0.579 89 H VAL 12 H VAL 12 4.967 -0.086 4.360 90 HA VAL 12 HA VAL 12 6.596 -2.426 4.193 91 HB VAL 12 HB VAL 12 6.925 0.025 5.927 92 HG11 VAL 12 HG11 VAL 12 8.321 -1.925 6.617 93 HG12 VAL 12 HG12 VAL 12 9.289 -0.589 6.004 94 HG13 VAL 12 HG13 VAL 12 8.981 -1.996 4.986 95 HG21 VAL 12 HG21 VAL 12 7.811 1.099 4.111 96 HG22 VAL 12 HG22 VAL 12 6.804 -0.037 3.214 97 HG23 VAL 12 HG23 VAL 12 8.516 -0.380 3.459 98 H GLU 13 H GLU 13 4.606 -1.117 6.809 99 HA GLU 13 HA GLU 13 5.553 -2.713 8.934 100 HB2 GLU 13 HB3 GLU 13 3.883 -0.893 9.193 101 HB3 GLU 13 HB2 GLU 13 2.684 -1.926 8.423 102 HG2 GLU 13 HG3 GLU 13 3.019 -3.621 10.197 103 HG3 GLU 13 HG2 GLU 13 4.174 -2.544 10.978 104 H GLU 14 H GLU 14 3.500 -3.533 6.222 105 HA GLU 14 HA GLU 14 2.485 -6.009 7.247 106 HB2 GLU 14 HB3 GLU 14 1.602 -4.823 5.225 107 HB3 GLU 14 HB2 GLU 14 3.063 -5.299 4.358 108 HG2 GLU 14 HG3 GLU 14 2.534 -7.683 4.841 109 HG3 GLU 14 HG2 GLU 14 1.028 -7.168 5.601 110 H PHE 15 H PHE 15 5.533 -5.128 5.719 111 HA PHE 15 HA PHE 15 6.549 -7.844 6.371 112 HB2 PHE 15 HB3 PHE 15 7.531 -8.152 4.187 113 HB3 PHE 15 HB2 PHE 15 5.823 -7.782 3.949 114 HD1 PHE 15 HD1 PHE 15 5.153 -5.380 3.429 115 HD2 PHE 15 HD2 PHE 15 9.220 -6.755 3.273 116 HE1 PHE 15 HE1 PHE 15 5.765 -3.416 2.047 117 HE2 PHE 15 HE2 PHE 15 9.831 -4.788 1.893 118 HZ PHE 15 HZ PHE 15 8.104 -3.118 1.279 119 H LEU 16 H LEU 16 7.063 -5.450 7.785 120 HA LEU 16 HA LEU 16 9.548 -4.310 6.808 121 HB2 LEU 16 HB3 LEU 16 9.324 -2.740 8.445 122 HB3 LEU 16 HB2 LEU 16 7.665 -3.294 8.399 123 HG LEU 16 HG LEU 16 9.790 -4.243 10.353 124 HD11 LEU 16 HD11 LEU 16 9.230 -2.398 11.494 125 HD12 LEU 16 HD12 LEU 16 7.612 -3.076 11.675 126 HD13 LEU 16 HD13 LEU 16 7.970 -1.995 10.328 127 HD21 LEU 16 HD21 LEU 16 8.345 -5.858 11.047 128 HD22 LEU 16 HD22 LEU 16 7.525 -5.618 9.508 129 HD23 LEU 16 HD23 LEU 16 6.962 -4.771 10.943 130 HA PRO 17 HA PRO 17 12.049 -7.485 8.752 131 HB2 PRO 17 HB2 PRO 17 14.499 -6.450 8.187 132 HB3 PRO 17 HB3 PRO 17 13.480 -7.181 6.935 133 HG2 PRO 17 HG3 PRO 17 13.912 -4.304 7.575 134 HG3 PRO 17 HG2 PRO 17 13.808 -5.106 5.999 135 HD2 PRO 17 HD3 PRO 17 11.724 -3.732 7.139 136 HD3 PRO 17 HD2 PRO 17 11.513 -5.068 5.986 137 H ASP 18 H ASP 18 14.624 -6.602 9.918 138 HA ASP 18 HA ASP 18 13.607 -5.659 12.480 139 HB2 ASP 18 HB3 ASP 18 15.926 -5.898 13.223 140 HB3 ASP 18 HB2 ASP 18 15.456 -7.322 12.300 141 H VAL 19 H VAL 19 13.848 -4.018 9.792 142 HA VAL 19 HA VAL 19 15.203 -1.636 10.998 143 HB VAL 19 HB VAL 19 14.605 -2.182 8.076 144 HG11 VAL 19 HG11 VAL 19 16.497 -0.358 7.967 145 HG12 VAL 19 HG12 VAL 19 15.972 0.013 9.609 146 HG13 VAL 19 HG13 VAL 19 14.831 0.134 8.269 147 HG21 VAL 19 HG21 VAL 19 16.260 -3.766 8.575 148 HG22 VAL 19 HG22 VAL 19 16.996 -2.751 9.815 149 HG23 VAL 19 HG23 VAL 19 17.227 -2.366 8.109 150 H ALA 20 H ALA 20 13.979 0.207 11.288 151 HA ALA 20 HA ALA 20 11.110 0.016 11.055 152 HB1 ALA 20 HB1 ALA 20 11.117 1.846 12.390 153 HB2 ALA 20 HB2 ALA 20 12.190 2.729 11.303 154 HB3 ALA 20 HB3 ALA 20 12.862 1.605 12.485 155 HA PRO 21 HA PRO 21 10.607 1.158 6.744 156 HB2 PRO 21 HB2 PRO 21 8.405 2.903 7.753 157 HB3 PRO 21 HB3 PRO 21 8.383 1.696 6.455 158 HG2 PRO 21 HG3 PRO 21 7.300 1.223 8.854 159 HG3 PRO 21 HG2 PRO 21 8.074 -0.048 7.895 160 HD2 PRO 21 HD3 PRO 21 9.036 1.268 10.373 161 HD3 PRO 21 HD2 PRO 21 9.422 -0.335 9.707 162 H ALA 22 H ALA 22 10.639 3.632 9.266 163 HA ALA 22 HA ALA 22 11.043 5.894 7.543 164 HB1 ALA 22 HB1 ALA 22 10.596 6.739 9.608 165 HB2 ALA 22 HB2 ALA 22 12.331 6.574 9.873 166 HB3 ALA 22 HB3 ALA 22 11.231 5.313 10.428 167 H ASP 23 H ASP 23 13.130 3.373 8.692 168 HA ASP 23 HA ASP 23 15.557 4.850 7.828 169 HB2 ASP 23 HB3 ASP 23 15.197 2.181 9.225 170 HB3 ASP 23 HB2 ASP 23 16.760 2.858 8.769 171 H VAL 24 H VAL 24 13.221 3.091 6.391 172 HA VAL 24 HA VAL 24 15.094 1.662 4.558 173 HB VAL 24 HB VAL 24 12.086 1.366 4.843 174 HG11 VAL 24 HG11 VAL 24 12.521 0.564 2.714 175 HG12 VAL 24 HG12 VAL 24 12.862 -0.888 3.656 176 HG13 VAL 24 HG13 VAL 24 14.188 0.136 3.103 177 HG21 VAL 24 HG21 VAL 24 14.418 -0.183 5.994 178 HG22 VAL 24 HG22 VAL 24 12.808 -0.886 5.840 179 HG23 VAL 24 HG23 VAL 24 13.057 0.532 6.859 180 H ASP 25 H ASP 25 15.201 2.312 2.420 181 HA ASP 25 HA ASP 25 14.228 4.918 1.729 182 HB2 ASP 25 HB3 ASP 25 15.280 2.666 -0.008 183 HB3 ASP 25 HB2 ASP 25 14.971 4.303 -0.588 184 H VAL 26 H VAL 26 11.993 5.103 1.836 185 HA VAL 26 HA VAL 26 10.120 3.146 0.932 186 HB VAL 26 HB VAL 26 8.471 4.912 1.044 187 HG11 VAL 26 HG11 VAL 26 10.577 5.608 3.102 188 HG12 VAL 26 HG12 VAL 26 9.638 4.117 3.175 189 HG13 VAL 26 HG13 VAL 26 8.825 5.678 3.282 190 HG21 VAL 26 HG21 VAL 26 9.154 6.813 -0.027 191 HG22 VAL 26 HG22 VAL 26 10.842 6.579 0.427 192 HG23 VAL 26 HG23 VAL 26 9.708 7.282 1.581 193 H ASP 27 H ASP 27 12.406 4.558 -0.898 194 HA ASP 27 HA ASP 27 10.713 5.068 -3.272 195 HB2 ASP 27 HB3 ASP 27 13.703 5.303 -2.813 196 HB3 ASP 27 HB2 ASP 27 12.903 5.672 -4.341 197 H LEU 28 H LEU 28 11.582 2.373 -1.830 198 HA LEU 28 HA LEU 28 12.851 0.947 -4.066 199 HB2 LEU 28 HB3 LEU 28 13.322 0.397 -1.658 200 HB3 LEU 28 HB2 LEU 28 11.663 -0.172 -1.513 201 HG LEU 28 HG LEU 28 12.195 -1.693 -3.528 202 HD11 LEU 28 HD11 LEU 28 14.986 -1.912 -2.810 203 HD12 LEU 28 HD12 LEU 28 14.637 -0.279 -3.373 204 HD13 LEU 28 HD13 LEU 28 14.270 -1.663 -4.401 205 HD21 LEU 28 HD21 LEU 28 13.501 -2.076 -0.820 206 HD22 LEU 28 HD22 LEU 28 13.332 -3.361 -2.015 207 HD23 LEU 28 HD23 LEU 28 11.896 -2.616 -1.313 208 H ASP 29 H ASP 29 11.769 -0.221 -5.590 209 HA ASP 29 HA ASP 29 8.907 0.041 -5.806 210 HB2 ASP 29 HB3 ASP 29 10.871 -1.748 -7.274 211 HB3 ASP 29 HB2 ASP 29 9.172 -1.573 -7.713 212 H LEU 30 H LEU 30 7.428 -1.161 -4.725 213 HA LEU 30 HA LEU 30 8.250 -3.405 -3.097 214 HB2 LEU 30 HB3 LEU 30 5.436 -2.558 -3.860 215 HB3 LEU 30 HB2 LEU 30 5.886 -3.594 -2.506 216 HG LEU 30 HG LEU 30 6.619 -0.674 -2.867 217 HD11 LEU 30 HD11 LEU 30 4.428 -0.709 -2.046 218 HD12 LEU 30 HD12 LEU 30 5.374 -0.691 -0.557 219 HD13 LEU 30 HD13 LEU 30 4.685 -2.203 -1.145 220 HD21 LEU 30 HD21 LEU 30 7.581 -2.811 -0.986 221 HD22 LEU 30 HD22 LEU 30 7.447 -1.151 -0.405 222 HD23 LEU 30 HD23 LEU 30 8.497 -1.525 -1.772 223 H VAL 31 H VAL 31 8.011 -3.254 -6.336 224 HA VAL 31 HA VAL 31 6.348 -5.372 -7.151 225 HB VAL 31 HB VAL 31 9.080 -4.590 -8.216 226 HG11 VAL 31 HG11 VAL 31 7.160 -6.694 -8.980 227 HG12 VAL 31 HG12 VAL 31 8.874 -6.540 -9.366 228 HG13 VAL 31 HG13 VAL 31 7.674 -5.660 -10.314 229 HG21 VAL 31 HG21 VAL 31 6.681 -3.184 -8.202 230 HG22 VAL 31 HG22 VAL 31 6.705 -3.947 -9.793 231 HG23 VAL 31 HG23 VAL 31 8.037 -2.904 -9.295 232 H ASP 32 H ASP 32 9.666 -5.459 -5.899 233 HA ASP 32 HA ASP 32 10.142 -8.243 -6.172 234 HB2 ASP 32 HB3 ASP 32 11.809 -6.500 -5.368 235 HB3 ASP 32 HB2 ASP 32 10.995 -6.546 -3.804 236 H ASN 33 H ASN 33 8.322 -6.380 -3.826 237 HA ASN 33 HA ASN 33 7.678 -8.718 -2.174 238 HB2 ASN 33 HB3 ASN 33 6.426 -5.964 -2.142 239 HB3 ASN 33 HB2 ASN 33 6.374 -7.165 -0.854 240 HD21 ASN 33 HD22 ASN 33 9.424 -7.343 -2.249 241 HD22 ASN 33 HD21 ASN 33 10.260 -6.312 -1.191 242 H GLY 34 H GLY 34 6.956 -8.192 -5.152 243 HA2 GLY 34 HA3 GLY 34 4.296 -7.800 -5.674 244 HA3 GLY 34 HA2 GLY 34 5.229 -9.036 -6.513 245 H VAL 35 H VAL 35 5.530 -10.279 -3.630 246 HA VAL 35 HA VAL 35 3.624 -12.327 -3.925 247 HB VAL 35 HB VAL 35 5.586 -12.151 -2.240 248 HG11 VAL 35 HG11 VAL 35 4.458 -10.015 -1.286 249 HG12 VAL 35 HG12 VAL 35 5.159 -11.165 -0.147 250 HG13 VAL 35 HG13 VAL 35 3.416 -11.139 -0.418 251 HG21 VAL 35 HG21 VAL 35 4.511 -13.763 -0.748 252 HG22 VAL 35 HG22 VAL 35 3.976 -14.060 -2.402 253 HG23 VAL 35 HG23 VAL 35 2.915 -13.222 -1.270 254 H ILE 36 H ILE 36 3.321 -9.139 -2.532 255 HA ILE 36 HA ILE 36 0.630 -9.596 -1.475 256 HB ILE 36 HB ILE 36 2.425 -7.928 -0.622 257 HG12 ILE 36 HG13 ILE 36 -0.458 -7.147 -1.125 258 HG13 ILE 36 HG12 ILE 36 0.208 -7.934 0.303 259 HG21 ILE 36 HG21 ILE 36 2.701 -6.988 -2.988 260 HG22 ILE 36 HG22 ILE 36 2.546 -5.808 -1.689 261 HG23 ILE 36 HG23 ILE 36 1.164 -6.163 -2.726 262 HD11 ILE 36 HD11 ILE 36 0.703 -5.103 -0.636 263 HD12 ILE 36 HD12 ILE 36 1.679 -5.882 0.610 264 HD13 ILE 36 HD13 ILE 36 -0.045 -5.620 0.877 265 H ASP 37 H ASP 37 1.951 -8.890 -4.514 266 HA ASP 37 HA ASP 37 0.146 -7.047 -5.615 267 HB2 ASP 37 HB3 ASP 37 0.865 -7.805 -7.769 268 HB3 ASP 37 HB2 ASP 37 2.247 -7.879 -6.686 269 H SER 38 H SER 38 -0.273 -10.588 -5.396 270 HA SER 38 HA SER 38 -3.020 -10.163 -6.499 271 HB2 SER 38 2HB SER 38 -1.121 -11.773 -7.545 272 HB3 SER 38 1HB SER 38 -1.907 -12.903 -6.445 273 H LEU 39 H LEU 39 -1.401 -12.578 -4.403 274 HA LEU 39 HA LEU 39 -3.806 -13.342 -3.097 275 HB2 LEU 39 HB3 LEU 39 -1.661 -14.638 -3.064 276 HB3 LEU 39 HB2 LEU 39 -1.017 -13.443 -1.944 277 HG LEU 39 HG LEU 39 -3.646 -14.559 -1.188 278 HD11 LEU 39 HD11 LEU 39 -2.605 -16.649 -0.307 279 HD12 LEU 39 HD12 LEU 39 -1.124 -16.245 -1.176 280 HD13 LEU 39 HD13 LEU 39 -2.606 -16.587 -2.070 281 HD21 LEU 39 HD21 LEU 39 -1.004 -14.110 0.241 282 HD22 LEU 39 HD22 LEU 39 -2.494 -14.633 1.027 283 HD23 LEU 39 HD23 LEU 39 -2.405 -13.039 0.279 284 H GLY 40 H GLY 40 -1.261 -11.093 -2.030 285 HA2 GLY 40 HA3 GLY 40 -2.707 -10.305 0.344 286 HA3 GLY 40 HA2 GLY 40 -1.313 -9.476 -0.335 287 H LEU 41 H LEU 41 -2.254 -8.851 -2.869 288 HA LEU 41 HA LEU 41 -3.698 -6.459 -2.408 289 HB2 LEU 41 HB3 LEU 41 -2.323 -7.016 -4.456 290 HB3 LEU 41 HB2 LEU 41 -3.661 -8.032 -4.993 291 HG LEU 41 HG LEU 41 -5.076 -5.840 -4.529 292 HD11 LEU 41 HD11 LEU 41 -3.866 -3.805 -4.890 293 HD12 LEU 41 HD12 LEU 41 -2.390 -4.682 -5.294 294 HD13 LEU 41 HD13 LEU 41 -2.991 -4.684 -3.637 295 HD21 LEU 41 HD21 LEU 41 -3.293 -6.332 -6.931 296 HD22 LEU 41 HD22 LEU 41 -4.617 -5.167 -6.919 297 HD23 LEU 41 HD23 LEU 41 -4.953 -6.886 -6.708 298 H LEU 42 H LEU 42 -4.840 -9.667 -3.437 299 HA LEU 42 HA LEU 42 -7.540 -8.935 -3.942 300 HB2 LEU 42 HB3 LEU 42 -6.513 -11.166 -4.475 301 HB3 LEU 42 HB2 LEU 42 -6.571 -11.554 -2.762 302 HG LEU 42 HG LEU 42 -9.109 -10.893 -2.990 303 HD11 LEU 42 HD11 LEU 42 -8.981 -10.084 -5.280 304 HD12 LEU 42 HD12 LEU 42 -9.964 -11.547 -5.245 305 HD13 LEU 42 HD13 LEU 42 -8.297 -11.617 -5.815 306 HD21 LEU 42 HD21 LEU 42 -8.826 -13.094 -2.370 307 HD22 LEU 42 HD22 LEU 42 -7.654 -13.411 -3.649 308 HD23 LEU 42 HD23 LEU 42 -9.376 -13.363 -4.024 309 H LYS 43 H LYS 43 -5.953 -9.976 -0.926 310 HA LYS 43 HA LYS 43 -8.329 -9.818 0.681 311 HB2 LYS 43 HB3 LYS 43 -5.406 -9.620 1.425 312 HB3 LYS 43 HB2 LYS 43 -6.719 -9.784 2.584 313 HG2 LYS 43 HG3 LYS 43 -7.395 -11.907 1.456 314 HG3 LYS 43 HG2 LYS 43 -5.983 -11.761 0.409 315 HD2 LYS 43 HD3 LYS 43 -4.532 -11.734 2.445 316 HD3 LYS 43 HD2 LYS 43 -5.967 -12.021 3.430 317 HE2 LYS 43 HE3 LYS 43 -4.963 -13.838 1.218 318 HE3 LYS 43 HE2 LYS 43 -4.784 -14.136 2.947 319 HZ1 LYS 43 HZ1 LYS 43 -6.676 -15.329 2.229 320 HZ2 LYS 43 HZ2 LYS 43 -7.300 -13.995 1.387 321 HZ3 LYS 43 HZ3 LYS 43 -7.261 -13.983 3.085 322 H VAL 44 H VAL 44 -5.799 -7.508 -0.190 323 HA VAL 44 HA VAL 44 -6.531 -5.449 1.649 324 HB VAL 44 HB VAL 44 -5.207 -5.312 -1.067 325 HG11 VAL 44 HG11 VAL 44 -6.134 -3.139 -0.644 326 HG12 VAL 44 HG12 VAL 44 -4.429 -3.051 -0.201 327 HG13 VAL 44 HG13 VAL 44 -5.660 -3.199 1.053 328 HG21 VAL 44 HG21 VAL 44 -3.746 -4.723 1.436 329 HG22 VAL 44 HG22 VAL 44 -3.246 -5.680 0.040 330 HG23 VAL 44 HG23 VAL 44 -4.288 -6.394 1.271 331 H ILE 45 H ILE 45 -7.543 -5.933 -1.758 332 HA ILE 45 HA ILE 45 -9.173 -3.611 -1.891 333 HB ILE 45 HB ILE 45 -9.557 -6.268 -3.304 334 HG12 ILE 45 HG13 ILE 45 -7.329 -5.408 -3.750 335 HG13 ILE 45 HG12 ILE 45 -8.329 -5.104 -5.167 336 HG21 ILE 45 HG21 ILE 45 -10.551 -4.612 -5.040 337 HG22 ILE 45 HG22 ILE 45 -10.689 -3.511 -3.669 338 HG23 ILE 45 HG23 ILE 45 -11.532 -5.058 -3.644 339 HD11 ILE 45 HD11 ILE 45 -7.289 -3.037 -4.879 340 HD12 ILE 45 HD12 ILE 45 -7.302 -3.161 -3.120 341 HD13 ILE 45 HD13 ILE 45 -8.793 -2.797 -3.991 342 H ALA 46 H ALA 46 -9.986 -6.949 -0.948 343 HA ALA 46 HA ALA 46 -12.769 -6.410 -0.478 344 HB1 ALA 46 HB1 ALA 46 -10.846 -8.573 0.305 345 HB2 ALA 46 HB2 ALA 46 -12.305 -8.682 -0.681 346 HB3 ALA 46 HB3 ALA 46 -12.434 -8.517 1.070 347 H TRP 47 H TRP 47 -9.952 -6.497 1.710 348 HA TRP 47 HA TRP 47 -11.552 -5.781 4.032 349 HB2 TRP 47 HB3 TRP 47 -9.687 -6.987 4.657 350 HB3 TRP 47 HB2 TRP 47 -8.653 -6.205 3.463 351 HD1 TRP 47 HD1 TRP 47 -10.820 -4.635 6.271 352 HE1 TRP 47 HE1 TRP 47 -9.282 -3.114 7.680 353 HE3 TRP 47 HE3 TRP 47 -6.385 -5.523 3.958 354 HZ2 TRP 47 HZ2 TRP 47 -6.510 -2.378 7.801 355 HZ3 TRP 47 HZ3 TRP 47 -4.302 -4.411 4.726 356 HH2 TRP 47 HH2 TRP 47 -4.362 -2.841 6.643 357 H LEU 48 H LEU 48 -9.257 -4.039 1.944 358 HA LEU 48 HA LEU 48 -9.253 -1.583 3.328 359 HB2 LEU 48 HB3 LEU 48 -7.766 -2.171 1.402 360 HB3 LEU 48 HB2 LEU 48 -9.138 -1.958 0.328 361 HG LEU 48 HG LEU 48 -9.382 0.373 1.188 362 HD11 LEU 48 HD11 LEU 48 -7.228 -0.614 2.918 363 HD12 LEU 48 HD12 LEU 48 -8.336 0.733 3.162 364 HD13 LEU 48 HD13 LEU 48 -6.883 0.952 2.188 365 HD21 LEU 48 HD21 LEU 48 -8.273 0.615 -0.781 366 HD22 LEU 48 HD22 LEU 48 -7.172 -0.714 -0.418 367 HD23 LEU 48 HD23 LEU 48 -6.852 0.897 0.225 368 H GLU 49 H GLU 49 -11.490 -2.707 0.771 369 HA GLU 49 HA GLU 49 -13.013 -0.278 0.690 370 HB2 GLU 49 HB3 GLU 49 -13.425 -1.656 -1.144 371 HB3 GLU 49 HB2 GLU 49 -13.504 -3.113 -0.168 372 HG2 GLU 49 HG3 GLU 49 -15.673 -2.471 0.704 373 HG3 GLU 49 HG2 GLU 49 -15.578 -0.913 -0.106 374 H ASP 50 H ASP 50 -13.294 -3.228 2.631 375 HA ASP 50 HA ASP 50 -15.754 -2.510 3.920 376 HB2 ASP 50 HB3 ASP 50 -14.703 -4.804 3.895 377 HB3 ASP 50 HB2 ASP 50 -13.531 -4.200 5.064 378 H ARG 51 H ARG 51 -12.353 -1.920 4.720 379 HA ARG 51 HA ARG 51 -12.769 -0.832 7.313 380 HB2 ARG 51 HB3 ARG 51 -10.551 -1.482 6.388 381 HB3 ARG 51 HB2 ARG 51 -10.609 -0.069 5.332 382 HG2 ARG 51 HG3 ARG 51 -10.791 1.399 7.315 383 HG3 ARG 51 HG2 ARG 51 -10.700 -0.017 8.363 384 HD2 ARG 51 HD3 ARG 51 -8.475 -0.560 7.375 385 HD3 ARG 51 HD2 ARG 51 -8.561 0.930 6.436 386 HE ARG 51 HE ARG 51 -8.969 1.692 9.104 387 HH11 ARG 51 HH22 ARG 51 -6.587 0.089 7.194 388 HH12 ARG 51 HH21 ARG 51 -5.257 0.621 8.168 389 HH21 ARG 51 HH11 ARG 51 -7.248 2.395 10.385 390 HH22 ARG 51 HH12 ARG 51 -5.632 1.926 9.975 391 H PHE 52 H PHE 52 -12.622 0.854 4.139 392 HA PHE 52 HA PHE 52 -13.577 3.304 5.544 393 HB2 PHE 52 HB3 PHE 52 -12.280 2.928 2.832 394 HB3 PHE 52 HB2 PHE 52 -12.860 4.466 3.457 395 HD1 PHE 52 HD2 PHE 52 -11.894 5.359 5.633 396 HD2 PHE 52 HD1 PHE 52 -10.171 2.058 3.491 397 HE1 PHE 52 HE2 PHE 52 -9.769 5.662 6.876 398 HE2 PHE 52 HE1 PHE 52 -8.046 2.362 4.734 399 HZ PHE 52 HZ PHE 52 -7.845 4.162 6.426 400 H GLY 53 H GLY 53 -14.713 0.745 3.679 401 HA2 GLY 53 HA3 GLY 53 -16.840 0.384 2.745 402 HA3 GLY 53 HA2 GLY 53 -17.324 1.946 3.406 403 H ILE 54 H ILE 54 -14.557 1.596 1.250 404 HA ILE 54 HA ILE 54 -16.093 3.157 -0.793 405 HB ILE 54 HB ILE 54 -13.920 4.026 -1.523 406 HG12 ILE 54 HG13 ILE 54 -12.828 2.279 0.708 407 HG13 ILE 54 HG12 ILE 54 -12.563 2.037 -1.019 408 HG21 ILE 54 HG21 ILE 54 -14.160 5.617 0.049 409 HG22 ILE 54 HG22 ILE 54 -13.434 4.563 1.260 410 HG23 ILE 54 HG23 ILE 54 -15.173 4.513 0.978 411 HD11 ILE 54 HD11 ILE 54 -10.652 3.218 -0.557 412 HD12 ILE 54 HD12 ILE 54 -11.378 4.056 0.814 413 HD13 ILE 54 HD13 ILE 54 -11.735 4.583 -0.830 414 H ALA 55 H ALA 55 -16.038 2.478 -2.940 415 HA ALA 55 HA ALA 55 -15.707 -0.310 -3.457 416 HB1 ALA 55 HB1 ALA 55 -15.800 2.032 -5.385 417 HB2 ALA 55 HB2 ALA 55 -17.179 1.083 -4.830 418 HB3 ALA 55 HB3 ALA 55 -15.950 0.337 -5.851 419 H ALA 56 H ALA 56 -14.093 -1.348 -4.807 420 HA ALA 56 HA ALA 56 -11.415 -0.737 -4.133 421 HB1 ALA 56 HB1 ALA 56 -12.211 -2.161 -6.679 422 HB2 ALA 56 HB2 ALA 56 -12.372 -2.922 -5.096 423 HB3 ALA 56 HB3 ALA 56 -10.782 -2.430 -5.681 424 H ASP 57 H ASP 57 -13.427 0.390 -6.782 425 HA ASP 57 HA ASP 57 -13.028 1.982 -8.455 426 HB2 ASP 57 HB3 ASP 57 -10.994 2.882 -6.405 427 HB3 ASP 57 HB2 ASP 57 -11.462 3.820 -7.820 428 H ASP 58 H ASP 58 -11.821 -0.469 -8.931 429 HA ASP 58 HA ASP 58 -9.548 0.371 -10.597 430 HB2 ASP 58 HB3 ASP 58 -8.044 -1.375 -9.682 431 HB3 ASP 58 HB2 ASP 58 -8.454 -0.168 -8.466 432 H VAL 59 H VAL 59 -11.136 -0.240 -12.234 433 HA VAL 59 HA VAL 59 -12.355 -2.797 -12.410 434 HB VAL 59 HB VAL 59 -11.529 -0.854 -14.566 435 HG11 VAL 59 HG11 VAL 59 -13.453 -2.240 -15.762 436 HG12 VAL 59 HG12 VAL 59 -12.895 -3.514 -14.676 437 HG13 VAL 59 HG13 VAL 59 -11.776 -2.783 -15.827 438 HG21 VAL 59 HG21 VAL 59 -13.612 -0.878 -12.628 439 HG22 VAL 59 HG22 VAL 59 -14.355 -1.199 -14.194 440 HG23 VAL 59 HG23 VAL 59 -13.391 0.258 -13.958 441 H GLU 60 H GLU 60 -9.237 -1.651 -13.693 442 HA GLU 60 HA GLU 60 -8.516 -4.521 -14.157 443 HB2 GLU 60 HB3 GLU 60 -8.776 -3.228 -16.271 444 HB3 GLU 60 HB2 GLU 60 -7.522 -2.124 -15.717 445 HG2 GLU 60 HG3 GLU 60 -5.956 -4.031 -15.539 446 HG3 GLU 60 HG2 GLU 60 -7.205 -5.092 -16.177 447 H LEU 61 H LEU 61 -6.577 -5.198 -13.305 448 HA LEU 61 HA LEU 61 -5.034 -3.174 -11.752 449 HB2 LEU 61 HB3 LEU 61 -5.006 -6.186 -11.427 450 HB3 LEU 61 HB2 LEU 61 -4.329 -4.992 -10.325 451 HG LEU 61 HG LEU 61 -7.244 -5.459 -10.948 452 HD11 LEU 61 HD11 LEU 61 -6.544 -5.304 -8.165 453 HD12 LEU 61 HD12 LEU 61 -5.478 -6.457 -8.968 454 HD13 LEU 61 HD13 LEU 61 -7.227 -6.666 -9.053 455 HD21 LEU 61 HD21 LEU 61 -7.113 -3.114 -10.806 456 HD22 LEU 61 HD22 LEU 61 -5.833 -3.169 -9.593 457 HD23 LEU 61 HD23 LEU 61 -7.486 -3.596 -9.151 458 H SER 62 H SER 62 -2.857 -2.895 -12.221 459 HA SER 62 HA SER 62 -1.585 -4.827 -14.079 460 HB2 SER 62 HB3 SER 62 -2.082 -3.243 -15.681 461 HB3 SER 62 HB2 SER 62 -2.083 -1.923 -14.521 462 HG SER 62 HG SER 62 -0.043 -2.956 -16.024 463 HA PRO 63 HA PRO 63 1.884 -4.467 -11.366 464 HB2 PRO 63 HB2 PRO 63 3.963 -4.579 -13.203 465 HB3 PRO 63 HB3 PRO 63 3.097 -5.988 -12.567 466 HG2 PRO 63 HG3 PRO 63 2.782 -4.580 -15.158 467 HG3 PRO 63 HG2 PRO 63 2.636 -6.304 -14.780 468 HD2 PRO 63 HD3 PRO 63 0.466 -4.712 -15.185 469 HD3 PRO 63 HD2 PRO 63 0.437 -6.105 -14.082 470 H GLU 64 H GLU 64 1.706 -2.301 -14.120 471 HA GLU 64 HA GLU 64 3.824 -0.532 -13.440 472 HB2 GLU 64 HB3 GLU 64 1.205 0.025 -14.832 473 HB3 GLU 64 HB2 GLU 64 2.566 1.136 -14.791 474 HG2 GLU 64 HG3 GLU 64 3.977 -0.600 -15.855 475 HG3 GLU 64 HG2 GLU 64 2.568 -1.649 -15.961 476 H HIS 65 H HIS 65 0.579 -0.870 -12.164 477 HA HIS 65 HA HIS 65 0.493 1.711 -10.859 478 HB2 HIS 65 HB3 HIS 65 -1.538 0.410 -11.383 479 HB3 HIS 65 HB2 HIS 65 -1.036 -0.829 -10.232 480 HD1 HIS 65 HD1 HIS 65 -1.665 2.944 -10.215 481 HD2 HIS 65 HD2 HIS 65 -2.019 -0.363 -7.697 482 HE1 HIS 65 HE1 HIS 65 -2.726 3.783 -8.072 483 HE2 HIS 65 HE2 HIS 65 -2.945 1.779 -6.533 484 H PHE 66 H PHE 66 1.848 -1.395 -9.952 485 HA PHE 66 HA PHE 66 2.254 -0.398 -7.169 486 HB2 PHE 66 HB3 PHE 66 2.541 -3.170 -8.335 487 HB3 PHE 66 HB2 PHE 66 2.751 -2.758 -6.638 488 HD1 PHE 66 HD2 PHE 66 0.333 -3.041 -9.407 489 HD2 PHE 66 HD1 PHE 66 0.844 -2.204 -5.223 490 HE1 PHE 66 HE2 PHE 66 -2.117 -3.210 -9.075 491 HE2 PHE 66 HE1 PHE 66 -1.609 -2.371 -4.894 492 HZ PHE 66 HZ PHE 66 -3.089 -2.874 -6.820 493 H ARG 67 H ARG 67 3.964 -0.070 -9.890 494 HA ARG 67 HA ARG 67 6.483 -1.258 -9.394 495 HB2 ARG 67 HB3 ARG 67 5.777 1.343 -10.759 496 HB3 ARG 67 HB2 ARG 67 7.413 0.691 -10.723 497 HG2 ARG 67 HG3 ARG 67 5.118 -1.002 -11.653 498 HG3 ARG 67 HG2 ARG 67 5.904 0.117 -12.762 499 HD2 ARG 67 HD3 ARG 67 8.109 -0.980 -12.106 500 HD3 ARG 67 HD2 ARG 67 7.157 -2.219 -11.291 501 HE ARG 67 HE ARG 67 6.074 -2.144 -13.832 502 HH11 ARG 67 HH22 ARG 67 9.230 -2.449 -12.478 503 HH12 ARG 67 HH21 ARG 67 9.836 -3.428 -13.772 504 HH21 ARG 67 HH11 ARG 67 6.847 -3.420 -15.530 505 HH22 ARG 67 HH12 ARG 67 8.486 -3.978 -15.500 506 H SER 68 H SER 68 5.049 1.625 -7.971 507 HA SER 68 HA SER 68 7.237 1.615 -5.983 508 HB2 SER 68 HB3 SER 68 7.811 3.939 -6.293 509 HB3 SER 68 HB2 SER 68 7.950 3.139 -7.856 510 HG SER 68 HG SER 68 6.115 4.093 -8.518 511 H ILE 69 H ILE 69 6.703 2.801 -4.052 512 HA ILE 69 HA ILE 69 3.938 2.694 -3.316 513 HB ILE 69 HB ILE 69 6.269 4.098 -1.982 514 HG12 ILE 69 HG13 ILE 69 5.055 1.395 -1.414 515 HG13 ILE 69 HG12 ILE 69 6.501 1.626 -2.384 516 HG21 ILE 69 HG21 ILE 69 4.245 4.949 -1.056 517 HG22 ILE 69 HG22 ILE 69 4.812 3.706 0.058 518 HG23 ILE 69 HG23 ILE 69 3.500 3.352 -1.063 519 HD11 ILE 69 HD11 ILE 69 6.497 1.278 0.340 520 HD12 ILE 69 HD12 ILE 69 6.562 3.035 0.195 521 HD13 ILE 69 HD13 ILE 69 7.801 2.040 -0.570 522 H ARG 70 H ARG 70 6.059 5.335 -4.356 523 HA ARG 70 HA ARG 70 4.362 7.507 -3.674 524 HB2 ARG 70 HB3 ARG 70 6.320 7.225 -5.970 525 HB3 ARG 70 HB2 ARG 70 5.601 8.749 -5.447 526 HG2 ARG 70 HG3 ARG 70 6.557 8.368 -3.169 527 HG3 ARG 70 HG2 ARG 70 7.366 6.927 -3.787 528 HD2 ARG 70 HD3 ARG 70 7.770 9.766 -4.773 529 HD3 ARG 70 HD2 ARG 70 8.919 8.816 -3.829 530 HE ARG 70 HE ARG 70 8.217 7.409 -6.239 531 HH11 ARG 70 HH22 ARG 70 9.994 10.082 -4.981 532 HH12 ARG 70 HH21 ARG 70 11.179 10.060 -6.244 533 HH21 ARG 70 HH11 ARG 70 9.753 7.366 -7.897 534 HH22 ARG 70 HH12 ARG 70 11.042 8.523 -7.896 535 H SER 71 H SER 71 4.389 5.438 -6.575 536 HA SER 71 HA SER 71 2.528 6.976 -8.091 537 HB2 SER 71 HB3 SER 71 2.219 4.975 -9.408 538 HB3 SER 71 HB2 SER 71 3.914 5.048 -8.943 539 HG SER 71 HG SER 71 3.291 3.020 -8.436 540 H ILE 72 H ILE 72 2.054 4.387 -5.698 541 HA ILE 72 HA ILE 72 -0.804 4.280 -5.971 542 HB ILE 72 HB ILE 72 0.962 3.540 -3.620 543 HG12 ILE 72 HG13 ILE 72 -0.144 1.823 -5.866 544 HG13 ILE 72 HG12 ILE 72 1.522 2.396 -5.777 545 HG21 ILE 72 HG21 ILE 72 -1.888 3.585 -3.989 546 HG22 ILE 72 HG22 ILE 72 -0.968 3.092 -2.568 547 HG23 ILE 72 HG23 ILE 72 -1.344 1.917 -3.827 548 HD11 ILE 72 HD11 ILE 72 0.283 0.154 -4.407 549 HD12 ILE 72 HD12 ILE 72 1.020 1.272 -3.259 550 HD13 ILE 72 HD13 ILE 72 1.992 0.565 -4.550 551 H ASP 73 H ASP 73 1.397 6.110 -3.882 552 HA ASP 73 HA ASP 73 -0.488 7.211 -2.092 553 HB2 ASP 73 HB3 ASP 73 2.010 7.443 -1.940 554 HB3 ASP 73 HB2 ASP 73 1.928 8.641 -3.231 555 H ALA 74 H ALA 74 0.482 8.355 -5.328 556 HA ALA 74 HA ALA 74 -1.086 10.758 -5.230 557 HB1 ALA 74 HB1 ALA 74 0.343 9.202 -7.301 558 HB2 ALA 74 HB2 ALA 74 0.322 10.942 -7.015 559 HB3 ALA 74 HB3 ALA 74 -1.004 10.177 -7.891 560 H PHE 75 H PHE 75 -1.799 7.498 -6.461 561 HA PHE 75 HA PHE 75 -4.395 8.123 -7.479 562 HB2 PHE 75 HB3 PHE 75 -3.134 6.026 -7.980 563 HB3 PHE 75 HB2 PHE 75 -3.459 5.488 -6.334 564 HD1 PHE 75 HD2 PHE 75 -5.012 6.362 -9.581 565 HD2 PHE 75 HD1 PHE 75 -5.634 4.697 -5.670 566 HE1 PHE 75 HE2 PHE 75 -7.240 5.533 -10.288 567 HE2 PHE 75 HE1 PHE 75 -7.862 3.868 -6.378 568 HZ PHE 75 HZ PHE 75 -8.665 4.286 -8.687 569 H VAL 76 H VAL 76 -3.375 6.840 -4.303 570 HA VAL 76 HA VAL 76 -6.018 6.715 -3.216 571 HB VAL 76 HB VAL 76 -3.295 6.950 -1.910 572 HG11 VAL 76 HG11 VAL 76 -6.062 6.643 -0.762 573 HG12 VAL 76 HG12 VAL 76 -4.775 7.738 -0.257 574 HG13 VAL 76 HG13 VAL 76 -4.651 6.013 0.086 575 HG21 VAL 76 HG21 VAL 76 -4.392 4.868 -3.307 576 HG22 VAL 76 HG22 VAL 76 -4.954 4.513 -1.673 577 HG23 VAL 76 HG23 VAL 76 -3.227 4.671 -1.997 578 H VAL 77 H VAL 77 -3.488 9.246 -3.063 579 HA VAL 77 HA VAL 77 -4.937 11.015 -1.361 580 HB VAL 77 HB VAL 77 -2.801 11.474 -3.451 581 HG11 VAL 77 HG11 VAL 77 -4.206 13.420 -1.619 582 HG12 VAL 77 HG12 VAL 77 -3.985 13.537 -3.364 583 HG13 VAL 77 HG13 VAL 77 -2.605 13.739 -2.285 584 HG21 VAL 77 HG21 VAL 77 -2.697 10.406 -0.901 585 HG22 VAL 77 HG22 VAL 77 -2.314 12.105 -0.621 586 HG23 VAL 77 HG23 VAL 77 -1.339 11.155 -1.742 587 H GLY 78 H GLY 78 -4.858 10.662 -4.891 588 HA2 GLY 78 HA3 GLY 78 -6.412 12.929 -5.561 589 HA3 GLY 78 HA2 GLY 78 -6.332 11.457 -6.527 590 H ALA 79 H ALA 79 -7.415 9.749 -4.368 591 HA ALA 79 HA ALA 79 -10.255 10.592 -4.654 592 HB1 ALA 79 HB1 ALA 79 -10.193 8.465 -5.532 593 HB2 ALA 79 HB2 ALA 79 -10.499 8.065 -3.842 594 HB3 ALA 79 HB3 ALA 79 -8.862 7.963 -4.490 595 H THR 80 H THR 80 -8.097 9.091 -2.225 596 HA THR 80 HA THR 80 -9.407 10.666 -0.123 597 HB THR 80 HB THR 80 -9.526 7.647 -0.041 598 HG1 THR 80 HG1 THR 80 -11.014 8.591 -1.503 599 HG21 THR 80 HG21 THR 80 -10.723 9.729 1.801 600 HG22 THR 80 HG22 THR 80 -9.261 8.808 2.152 601 HG23 THR 80 HG23 THR 80 -10.810 7.979 1.999 602 H THR 81 H THR 81 -8.024 10.979 1.606 603 HA THR 81 HA THR 81 -5.500 9.378 1.614 604 HB THR 81 HB THR 81 -4.936 11.580 0.849 605 HG1 THR 81 HG1 THR 81 -3.424 11.121 2.287 606 HG21 THR 81 HG21 THR 81 -5.751 13.279 2.968 607 HG22 THR 81 HG22 THR 81 -7.160 12.320 2.513 608 HG23 THR 81 HG23 THR 81 -6.322 13.287 1.299 609 HA PRO 82 HA PRO 82 -7.342 9.032 5.800 610 HB2 PRO 82 HB2 PRO 82 -7.445 6.362 5.959 611 HB3 PRO 82 HB3 PRO 82 -8.618 7.267 4.981 612 HG2 PRO 82 HG3 PRO 82 -6.282 5.657 4.120 613 HG3 PRO 82 HG2 PRO 82 -7.837 5.919 3.313 614 HD2 PRO 82 HD3 PRO 82 -5.393 7.275 2.768 615 HD3 PRO 82 HD2 PRO 82 -7.001 7.679 2.125 616 HA PRO 83 HA PRO 83 -3.045 8.234 7.211 617 HB2 PRO 83 HB2 PRO 83 -3.148 9.771 9.458 618 HB3 PRO 83 HB3 PRO 83 -2.867 10.446 7.842 619 HG2 PRO 83 HG3 PRO 83 -5.317 10.469 9.501 620 HG3 PRO 83 HG2 PRO 83 -4.718 11.669 8.346 621 HD2 PRO 83 HD3 PRO 83 -6.745 9.810 7.839 622 HD3 PRO 83 HD2 PRO 83 -5.837 10.702 6.599 623 H VAL 84 H VAL 84 -2.443 6.505 8.478 624 HA VAL 84 HA VAL 84 -4.283 5.704 10.703 625 HB VAL 84 HB VAL 84 -2.697 3.855 8.897 626 HG11 VAL 84 HG11 VAL 84 -3.881 2.077 10.021 627 HG12 VAL 84 HG12 VAL 84 -4.886 3.232 10.898 628 HG13 VAL 84 HG13 VAL 84 -3.166 3.101 11.264 629 HG21 VAL 84 HG21 VAL 84 -4.591 5.014 7.743 630 HG22 VAL 84 HG22 VAL 84 -5.684 4.388 8.978 631 HG23 VAL 84 HG23 VAL 84 -4.847 3.276 7.895 632 H GLU 85 H GLU 85 -3.290 5.400 12.657 633 HA GLU 85 HA GLU 85 -0.549 6.161 13.026 634 HB2 GLU 85 HB3 GLU 85 -2.444 4.656 14.857 635 HB3 GLU 85 HB2 GLU 85 -0.882 5.308 15.353 636 HG2 GLU 85 HG3 GLU 85 -1.638 7.577 14.676 637 HG3 GLU 85 HG2 GLU 85 -3.217 6.908 14.265 638 H ALA 86 H ALA 86 -2.153 3.021 12.697 639 HA ALA 86 HA ALA 86 0.486 1.798 12.169 640 HB1 ALA 86 HB1 ALA 86 -0.367 1.625 14.706 641 HB2 ALA 86 HB2 ALA 86 0.485 0.297 13.917 642 HB3 ALA 86 HB3 ALA 86 -1.275 0.272 14.031 643 H LYS 87 H LYS 87 0.309 -0.128 10.915 644 HA LYS 87 HA LYS 87 -1.917 -0.278 9.148 645 HB2 LYS 87 HB3 LYS 87 0.390 -1.177 8.688 646 HB3 LYS 87 HB2 LYS 87 0.030 -2.514 9.781 647 HG2 LYS 87 HG3 LYS 87 -1.935 -3.100 8.369 648 HG3 LYS 87 HG2 LYS 87 -1.488 -1.811 7.250 649 HD2 LYS 87 HD3 LYS 87 0.798 -2.949 7.079 650 HD3 LYS 87 HD2 LYS 87 0.063 -4.324 7.901 651 HE2 LYS 87 HE3 LYS 87 -0.225 -3.453 5.122 652 HE3 LYS 87 HE2 LYS 87 -0.590 -5.017 5.850 653 HZ1 LYS 87 HZ1 LYS 87 -2.305 -2.595 5.883 654 HZ2 LYS 87 HZ2 LYS 87 -2.641 -4.011 6.754 655 HZ3 LYS 87 HZ3 LYS 87 -2.606 -4.048 5.055 656 H LEU 88 H LEU 88 -1.135 -2.110 12.088 657 HA LEU 88 HA LEU 88 -3.245 -4.017 11.906 658 HB2 LEU 88 HB3 LEU 88 -2.045 -2.792 14.411 659 HB3 LEU 88 HB2 LEU 88 -2.943 -4.307 14.324 660 HG LEU 88 HG LEU 88 -0.305 -3.711 12.949 661 HD11 LEU 88 HD11 LEU 88 -0.957 -4.662 15.565 662 HD12 LEU 88 HD12 LEU 88 0.638 -4.511 14.828 663 HD13 LEU 88 HD13 LEU 88 -0.277 -6.009 14.650 664 HD21 LEU 88 HD21 LEU 88 -1.307 -5.206 11.475 665 HD22 LEU 88 HD22 LEU 88 -2.292 -5.949 12.736 666 HD23 LEU 88 HD23 LEU 88 -0.574 -6.331 12.618 667 H GLN 89 H GLN 89 -3.178 -0.691 13.092 668 HA GLN 89 HA GLN 89 -6.156 -0.825 13.349 669 HB2 GLN 89 HB3 GLN 89 -4.199 0.687 15.106 670 HB3 GLN 89 HB2 GLN 89 -5.954 0.849 15.190 671 HG2 GLN 89 HG3 GLN 89 -6.170 -1.537 15.727 672 HG3 GLN 89 HG2 GLN 89 -4.422 -1.737 15.599 673 HE21 GLN 89 HE22 GLN 89 -5.807 -2.306 18.046 674 HE22 GLN 89 HE21 GLN 89 -5.330 -1.163 19.207 675 H1 PN7 101 3HO SAT 38 -0.505 -9.093 -8.639 676 H2 PN7 101 1H1 SAT 38 -3.491 -9.305 -10.449 677 H3 PN7 101 2H1 SAT 38 -2.157 -10.103 -11.280 678 H5 PN7 101 3HE1 SAT 38 -2.969 -7.700 -8.840 679 H6 PN7 101 1HE1 SAT 38 -2.229 -6.292 -9.603 680 H7 PN7 101 2HE1 SAT 38 -1.271 -7.329 -8.546 681 H8 PN7 101 2HE2 SAT 38 -3.077 -7.317 -11.857 682 H9 PN7 101 3HE2 SAT 38 -1.642 -7.995 -12.622 683 H10 PN7 101 1HE2 SAT 38 -1.541 -6.454 -11.770 684 H11 PN7 101 3H SAT 38 0.136 -8.929 -11.362 685 H12 PN7 101 5H SAT 38 2.058 -7.029 -11.620 686 H13 PN7 101 2H6 SAT 38 3.897 -7.083 -10.142 687 H14 PN7 101 1H6 SAT 38 2.831 -7.708 -8.886 688 H15 PN7 101 1H7 SAT 38 1.876 -5.150 -9.236 689 H16 PN7 101 2H7 SAT 38 3.606 -4.931 -9.483 690 H17 PN7 101 9H SAT 38 1.484 -4.491 -7.200 691 H18 PN7 101 2H10 SAT 38 2.234 -6.285 -5.084 692 H19 PN7 101 1H10 SAT 38 1.286 -4.814 -4.885 693 H20 PN7 101 1H11 SAT 38 4.078 -4.228 -5.492 694 H21 PN7 101 2H11 SAT 38 3.917 -5.206 -4.033 695 H22 PN7 101 2HS1 SAT 38 2.300 -3.362 -3.063 Start of MODEL 6 1 H1 MET 1 H1 MET 1 1.289 11.363 1.457 2 H2 MET 1 H2 MET 1 0.428 11.964 2.792 3 H3 MET 1 H3 MET 1 -0.218 10.699 1.860 4 HA MET 1 HA MET 1 1.291 9.141 2.664 5 HB2 MET 1 HB3 MET 1 2.828 11.530 3.731 6 HB3 MET 1 HB2 MET 1 3.262 9.844 4.020 7 HG2 MET 1 HG3 MET 1 3.348 9.525 1.522 8 HG3 MET 1 HG2 MET 1 3.142 11.267 1.351 9 HE1 MET 1 HE1 MET 1 4.360 12.900 2.620 10 HE2 MET 1 HE2 MET 1 6.104 12.893 2.865 11 HE3 MET 1 HE3 MET 1 5.031 12.228 4.104 12 H GLN 2 H GLN 2 -1.015 10.900 3.716 13 HA GLN 2 HA GLN 2 -0.820 11.123 6.544 14 HB2 GLN 2 HB3 GLN 2 -3.253 10.551 4.822 15 HB3 GLN 2 HB2 GLN 2 -3.308 11.060 6.511 16 HG2 GLN 2 HG3 GLN 2 -2.129 13.143 5.933 17 HG3 GLN 2 HG2 GLN 2 -2.051 12.635 4.245 18 HE21 GLN 2 HE22 GLN 2 -3.404 15.040 4.962 19 HE22 GLN 2 HE21 GLN 2 -5.067 14.826 4.698 20 H HIS 3 H HIS 3 -1.729 8.395 4.475 21 HA HIS 3 HA HIS 3 -1.766 6.660 6.919 22 HB2 HIS 3 HB3 HIS 3 -3.113 5.990 4.300 23 HB3 HIS 3 HB2 HIS 3 -3.415 5.301 5.896 24 HD1 HIS 3 HD1 HIS 3 -4.080 7.437 7.716 25 HD2 HIS 3 HD2 HIS 3 -5.109 7.784 3.688 26 HE1 HIS 3 HE1 HIS 3 -5.912 9.185 7.590 27 HE2 HIS 3 HE2 HIS 3 -6.548 9.400 5.144 28 H ALA 4 H ALA 4 0.316 7.534 4.706 29 HA ALA 4 HA ALA 4 1.057 5.220 3.238 30 HB1 ALA 4 HB1 ALA 4 2.394 7.731 4.085 31 HB2 ALA 4 HB2 ALA 4 2.270 7.008 2.482 32 HB3 ALA 4 HB3 ALA 4 3.456 6.398 3.635 33 H SER 5 H SER 5 1.751 6.146 6.581 34 HA SER 5 HA SER 5 3.845 4.305 7.087 35 HB2 SER 5 HB3 SER 5 3.045 6.105 8.661 36 HB3 SER 5 HB2 SER 5 1.661 5.084 9.037 37 HG SER 5 HG SER 5 4.397 4.366 9.326 38 H VAL 6 H VAL 6 0.318 3.853 7.369 39 HA VAL 6 HA VAL 6 0.498 1.111 8.226 40 HB VAL 6 HB VAL 6 -1.712 2.627 6.824 41 HG11 VAL 6 HG11 VAL 6 -1.434 -0.224 7.606 42 HG12 VAL 6 HG12 VAL 6 -2.439 0.505 6.353 43 HG13 VAL 6 HG13 VAL 6 -2.958 0.552 8.038 44 HG21 VAL 6 HG21 VAL 6 -1.794 1.647 9.653 45 HG22 VAL 6 HG22 VAL 6 -2.565 3.064 8.939 46 HG23 VAL 6 HG23 VAL 6 -0.836 3.083 9.290 47 H ILE 7 H ILE 7 0.270 2.671 5.065 48 HA ILE 7 HA ILE 7 -0.078 0.344 3.481 49 HB ILE 7 HB ILE 7 1.404 2.910 2.844 50 HG12 ILE 7 HG13 ILE 7 -1.442 2.059 2.217 51 HG13 ILE 7 HG12 ILE 7 -1.000 3.126 3.549 52 HG21 ILE 7 HG21 ILE 7 0.418 0.621 1.125 53 HG22 ILE 7 HG22 ILE 7 2.044 1.299 1.200 54 HG23 ILE 7 HG23 ILE 7 0.736 2.224 0.463 55 HD11 ILE 7 HD11 ILE 7 -1.284 3.740 0.720 56 HD12 ILE 7 HD12 ILE 7 0.303 4.215 1.327 57 HD13 ILE 7 HD13 ILE 7 -1.158 4.838 2.095 58 H ALA 8 H ALA 8 2.945 2.015 4.411 59 HA ALA 8 HA ALA 8 4.687 0.095 3.189 60 HB1 ALA 8 HB1 ALA 8 5.478 2.320 3.900 61 HB2 ALA 8 HB2 ALA 8 6.430 1.050 4.669 62 HB3 ALA 8 HB3 ALA 8 5.180 1.892 5.585 63 H GLN 9 H GLN 9 3.386 0.402 6.469 64 HA GLN 9 HA GLN 9 4.710 -1.895 7.561 65 HB2 GLN 9 HB3 GLN 9 3.642 -0.119 8.936 66 HB3 GLN 9 HB2 GLN 9 2.062 -0.651 8.362 67 HG2 GLN 9 HG3 GLN 9 3.318 -2.987 9.271 68 HG3 GLN 9 HG2 GLN 9 3.708 -1.763 10.478 69 HE21 GLN 9 HE22 GLN 9 0.858 -2.913 8.581 70 HE22 GLN 9 HE21 GLN 9 -0.256 -2.682 9.842 71 H PHE 10 H PHE 10 1.589 -1.447 5.964 72 HA PHE 10 HA PHE 10 0.575 -4.075 6.397 73 HB2 PHE 10 HB3 PHE 10 -0.695 -2.036 5.562 74 HB3 PHE 10 HB2 PHE 10 0.029 -2.335 3.983 75 HD1 PHE 10 HD2 PHE 10 -2.321 -3.573 6.523 76 HD2 PHE 10 HD1 PHE 10 -0.599 -4.289 2.656 77 HE1 PHE 10 HE2 PHE 10 -4.079 -5.257 6.054 78 HE2 PHE 10 HE1 PHE 10 -2.359 -5.973 2.185 79 HZ PHE 10 HZ PHE 10 -4.100 -6.454 3.885 80 H VAL 11 H VAL 11 2.294 -2.709 3.583 81 HA VAL 11 HA VAL 11 2.423 -5.261 2.218 82 HB VAL 11 HB VAL 11 2.494 -3.081 1.031 83 HG11 VAL 11 HG11 VAL 11 4.367 -1.634 1.166 84 HG12 VAL 11 HG12 VAL 11 5.345 -2.844 1.997 85 HG13 VAL 11 HG13 VAL 11 4.011 -2.057 2.839 86 HG21 VAL 11 HG21 VAL 11 3.376 -5.058 -0.099 87 HG22 VAL 11 HG22 VAL 11 4.935 -4.853 0.698 88 HG23 VAL 11 HG23 VAL 11 4.389 -3.669 -0.489 89 H VAL 12 H VAL 12 4.873 -3.334 3.984 90 HA VAL 12 HA VAL 12 7.031 -5.142 3.622 91 HB VAL 12 HB VAL 12 6.436 -3.208 5.857 92 HG11 VAL 12 HG11 VAL 12 8.579 -5.200 5.513 93 HG12 VAL 12 HG12 VAL 12 8.064 -4.344 6.966 94 HG13 VAL 12 HG13 VAL 12 9.159 -3.564 5.824 95 HG21 VAL 12 HG21 VAL 12 8.680 -2.540 4.210 96 HG22 VAL 12 HG22 VAL 12 7.159 -1.664 4.385 97 HG23 VAL 12 HG23 VAL 12 7.316 -2.920 3.158 98 H GLU 13 H GLU 13 4.467 -5.107 6.052 99 HA GLU 13 HA GLU 13 5.571 -7.031 7.819 100 HB2 GLU 13 HB3 GLU 13 3.547 -5.680 8.314 101 HB3 GLU 13 HB2 GLU 13 2.654 -6.639 7.141 102 HG2 GLU 13 HG3 GLU 13 3.213 -8.689 8.453 103 HG3 GLU 13 HG2 GLU 13 3.968 -7.654 9.662 104 H GLU 14 H GLU 14 3.816 -7.429 4.791 105 HA GLU 14 HA GLU 14 3.371 -10.249 5.037 106 HB2 GLU 14 HB3 GLU 14 3.615 -8.493 2.583 107 HB3 GLU 14 HB2 GLU 14 3.053 -10.165 2.561 108 HG2 GLU 14 HG3 GLU 14 1.234 -9.551 4.141 109 HG3 GLU 14 HG2 GLU 14 1.772 -7.872 4.078 110 H PHE 15 H PHE 15 6.139 -8.391 3.823 111 HA PHE 15 HA PHE 15 7.462 -10.967 3.096 112 HB2 PHE 15 HB3 PHE 15 8.392 -8.164 2.444 113 HB3 PHE 15 HB2 PHE 15 8.953 -9.677 1.727 114 HD1 PHE 15 HD2 PHE 15 7.467 -10.985 0.219 115 HD2 PHE 15 HD1 PHE 15 6.317 -7.169 1.803 116 HE1 PHE 15 HE2 PHE 15 5.639 -10.841 -1.453 117 HE2 PHE 15 HE1 PHE 15 4.486 -7.024 0.147 118 HZ PHE 15 HZ PHE 15 4.146 -8.859 -1.490 119 H LEU 16 H LEU 16 8.392 -7.853 4.642 120 HA LEU 16 HA LEU 16 10.290 -9.443 6.333 121 HB2 LEU 16 HB3 LEU 16 10.687 -7.073 4.651 122 HB3 LEU 16 HB2 LEU 16 11.318 -6.888 6.286 123 HG LEU 16 HG LEU 16 12.551 -9.020 6.046 124 HD11 LEU 16 HD11 LEU 16 10.945 -9.104 3.564 125 HD12 LEU 16 HD12 LEU 16 11.596 -10.428 4.529 126 HD13 LEU 16 HD13 LEU 16 12.631 -9.585 3.376 127 HD21 LEU 16 HD21 LEU 16 13.468 -6.732 5.295 128 HD22 LEU 16 HD22 LEU 16 13.146 -7.275 3.648 129 HD23 LEU 16 HD23 LEU 16 14.286 -8.160 4.662 130 HA PRO 17 HA PRO 17 7.659 -7.111 9.278 131 HB2 PRO 17 HB2 PRO 17 6.874 -9.332 10.723 132 HB3 PRO 17 HB3 PRO 17 5.983 -8.663 9.348 133 HG2 PRO 17 HG3 PRO 17 7.419 -11.145 9.529 134 HG3 PRO 17 HG2 PRO 17 6.390 -10.545 8.226 135 HD2 PRO 17 HD3 PRO 17 9.316 -10.582 8.378 136 HD3 PRO 17 HD2 PRO 17 8.271 -10.278 6.973 137 H ASP 18 H ASP 18 10.312 -9.312 9.603 138 HA ASP 18 HA ASP 18 10.627 -9.032 12.481 139 HB2 ASP 18 HB3 ASP 18 12.757 -10.174 12.130 140 HB3 ASP 18 HB2 ASP 18 11.497 -10.983 11.203 141 H VAL 19 H VAL 19 11.042 -6.898 9.975 142 HA VAL 19 HA VAL 19 13.189 -5.404 11.434 143 HB VAL 19 HB VAL 19 13.668 -6.103 9.024 144 HG11 VAL 19 HG11 VAL 19 11.785 -3.883 8.268 145 HG12 VAL 19 HG12 VAL 19 11.191 -5.535 8.422 146 HG13 VAL 19 HG13 VAL 19 12.457 -5.160 7.254 147 HG21 VAL 19 HG21 VAL 19 13.823 -3.406 10.221 148 HG22 VAL 19 HG22 VAL 19 14.024 -3.444 8.469 149 HG23 VAL 19 HG23 VAL 19 15.096 -4.391 9.502 150 H ALA 20 H ALA 20 12.747 -3.140 11.827 151 HA ALA 20 HA ALA 20 10.021 -2.518 12.346 152 HB1 ALA 20 HB1 ALA 20 12.596 -1.129 12.465 153 HB2 ALA 20 HB2 ALA 20 11.205 -1.004 13.542 154 HB3 ALA 20 HB3 ALA 20 11.258 -0.056 12.056 155 HA PRO 21 HA PRO 21 9.054 -1.781 7.974 156 HB2 PRO 21 HB2 PRO 21 6.422 -0.883 8.662 157 HB3 PRO 21 HB3 PRO 21 6.896 -2.433 7.952 158 HG2 PRO 21 HG3 PRO 21 5.983 -1.916 10.585 159 HG3 PRO 21 HG2 PRO 21 6.484 -3.456 9.879 160 HD2 PRO 21 HD3 PRO 21 7.882 -1.846 11.823 161 HD3 PRO 21 HD2 PRO 21 8.337 -3.428 11.164 162 H ALA 22 H ALA 22 8.556 0.466 10.617 163 HA ALA 22 HA ALA 22 8.009 2.790 8.995 164 HB1 ALA 22 HB1 ALA 22 7.497 2.672 11.427 165 HB2 ALA 22 HB2 ALA 22 8.504 4.065 11.032 166 HB3 ALA 22 HB3 ALA 22 9.227 2.636 11.771 167 H ASP 23 H ASP 23 10.857 0.993 9.662 168 HA ASP 23 HA ASP 23 12.709 3.210 9.170 169 HB2 ASP 23 HB3 ASP 23 13.278 1.254 10.644 170 HB3 ASP 23 HB2 ASP 23 13.270 0.229 9.208 171 H VAL 24 H VAL 24 10.734 1.302 7.250 172 HA VAL 24 HA VAL 24 12.449 0.810 4.996 173 HB VAL 24 HB VAL 24 9.451 1.291 5.014 174 HG11 VAL 24 HG11 VAL 24 9.788 1.157 2.772 175 HG12 VAL 24 HG12 VAL 24 10.043 -0.563 3.065 176 HG13 VAL 24 HG13 VAL 24 11.425 0.529 2.968 177 HG21 VAL 24 HG21 VAL 24 9.137 -0.862 5.729 178 HG22 VAL 24 HG22 VAL 24 10.730 -0.631 6.450 179 HG23 VAL 24 HG23 VAL 24 10.576 -1.453 4.897 180 H ASP 25 H ASP 25 13.053 2.194 3.342 181 HA ASP 25 HA ASP 25 12.785 5.027 3.765 182 HB2 ASP 25 HB3 ASP 25 14.665 3.881 2.513 183 HB3 ASP 25 HB2 ASP 25 13.538 3.643 1.176 184 H VAL 26 H VAL 26 10.432 5.243 3.918 185 HA VAL 26 HA VAL 26 8.624 4.522 1.847 186 HB VAL 26 HB VAL 26 7.765 5.171 3.992 187 HG11 VAL 26 HG11 VAL 26 9.454 6.609 4.847 188 HG12 VAL 26 HG12 VAL 26 8.032 7.638 4.680 189 HG13 VAL 26 HG13 VAL 26 9.320 7.711 3.477 190 HG21 VAL 26 HG21 VAL 26 7.065 7.577 2.348 191 HG22 VAL 26 HG22 VAL 26 6.011 6.533 3.301 192 HG23 VAL 26 HG23 VAL 26 6.635 5.975 1.749 193 H ASP 27 H ASP 27 11.245 6.431 1.468 194 HA ASP 27 HA ASP 27 9.898 8.382 -0.337 195 HB2 ASP 27 HB3 ASP 27 12.748 8.232 0.696 196 HB3 ASP 27 HB2 ASP 27 12.162 9.456 -0.429 197 H LEU 28 H LEU 28 10.938 5.332 -0.532 198 HA LEU 28 HA LEU 28 12.348 5.619 -3.137 199 HB2 LEU 28 HB3 LEU 28 13.309 4.109 -1.396 200 HB3 LEU 28 HB2 LEU 28 11.845 3.133 -1.476 201 HG LEU 28 HG LEU 28 12.587 3.370 -4.138 202 HD11 LEU 28 HD11 LEU 28 14.928 2.973 -4.309 203 HD12 LEU 28 HD12 LEU 28 15.089 2.732 -2.569 204 HD13 LEU 28 HD13 LEU 28 14.766 4.343 -3.210 205 HD21 LEU 28 HD21 LEU 28 13.136 1.226 -2.068 206 HD22 LEU 28 HD22 LEU 28 13.378 0.979 -3.798 207 HD23 LEU 28 HD23 LEU 28 11.764 1.324 -3.173 208 H ASP 29 H ASP 29 11.384 4.951 -5.045 209 HA ASP 29 HA ASP 29 8.545 4.697 -5.152 210 HB2 ASP 29 HB3 ASP 29 10.673 3.858 -7.149 211 HB3 ASP 29 HB2 ASP 29 8.944 3.888 -7.499 212 H LEU 30 H LEU 30 7.348 2.970 -4.523 213 HA LEU 30 HA LEU 30 8.586 0.509 -3.705 214 HB2 LEU 30 HB3 LEU 30 6.345 -0.259 -3.226 215 HB3 LEU 30 HB2 LEU 30 6.449 1.439 -2.761 216 HG LEU 30 HG LEU 30 5.697 1.503 -5.455 217 HD11 LEU 30 HD11 LEU 30 5.139 -0.863 -5.427 218 HD12 LEU 30 HD12 LEU 30 3.640 0.065 -5.428 219 HD13 LEU 30 HD13 LEU 30 4.220 -0.667 -3.934 220 HD21 LEU 30 HD21 LEU 30 3.474 2.201 -4.455 221 HD22 LEU 30 HD22 LEU 30 4.876 3.055 -3.809 222 HD23 LEU 30 HD23 LEU 30 4.127 1.757 -2.878 223 H VAL 31 H VAL 31 8.337 1.565 -6.745 224 HA VAL 31 HA VAL 31 7.024 -0.419 -8.245 225 HB VAL 31 HB VAL 31 8.242 1.683 -9.095 226 HG11 VAL 31 HG11 VAL 31 10.417 0.919 -7.962 227 HG12 VAL 31 HG12 VAL 31 10.558 1.518 -9.615 228 HG13 VAL 31 HG13 VAL 31 10.583 -0.218 -9.301 229 HG21 VAL 31 HG21 VAL 31 8.643 0.672 -11.288 230 HG22 VAL 31 HG22 VAL 31 7.206 -0.050 -10.563 231 HG23 VAL 31 HG23 VAL 31 8.734 -0.931 -10.558 232 H ASP 32 H ASP 32 10.228 -0.483 -6.744 233 HA ASP 32 HA ASP 32 11.130 -2.953 -7.834 234 HB2 ASP 32 HB3 ASP 32 11.628 -1.711 -5.108 235 HB3 ASP 32 HB2 ASP 32 12.501 -3.114 -5.727 236 H ASN 33 H ASN 33 8.989 -2.177 -5.155 237 HA ASN 33 HA ASN 33 8.636 -5.000 -4.423 238 HB2 ASN 33 HB3 ASN 33 7.169 -2.534 -3.470 239 HB3 ASN 33 HB2 ASN 33 7.073 -4.137 -2.745 240 HD21 ASN 33 HD22 ASN 33 8.356 -1.311 -1.999 241 HD22 ASN 33 HD21 ASN 33 9.851 -1.770 -1.341 242 H GLY 34 H GLY 34 7.809 -3.574 -7.073 243 HA2 GLY 34 HA3 GLY 34 5.084 -3.399 -7.465 244 HA3 GLY 34 HA2 GLY 34 6.156 -4.122 -8.666 245 H VAL 35 H VAL 35 6.791 -6.134 -6.342 246 HA VAL 35 HA VAL 35 5.295 -8.320 -7.288 247 HB VAL 35 HB VAL 35 6.453 -7.784 -4.538 248 HG11 VAL 35 HG11 VAL 35 6.281 -10.520 -4.814 249 HG12 VAL 35 HG12 VAL 35 4.762 -9.980 -5.528 250 HG13 VAL 35 HG13 VAL 35 5.167 -9.531 -3.871 251 HG21 VAL 35 HG21 VAL 35 7.833 -8.075 -6.778 252 HG22 VAL 35 HG22 VAL 35 7.469 -9.783 -6.532 253 HG23 VAL 35 HG23 VAL 35 8.357 -8.884 -5.301 254 H ILE 36 H ILE 36 4.479 -5.910 -4.849 255 HA ILE 36 HA ILE 36 2.095 -7.215 -3.895 256 HB ILE 36 HB ILE 36 3.474 -5.224 -2.879 257 HG12 ILE 36 HG13 ILE 36 0.443 -5.365 -2.883 258 HG13 ILE 36 HG12 ILE 36 1.537 -6.195 -1.781 259 HG21 ILE 36 HG21 ILE 36 2.795 -3.052 -3.499 260 HG22 ILE 36 HG22 ILE 36 1.346 -3.641 -4.314 261 HG23 ILE 36 HG23 ILE 36 2.932 -3.887 -5.047 262 HD11 ILE 36 HD11 ILE 36 1.215 -4.402 -0.424 263 HD12 ILE 36 HD12 ILE 36 0.605 -3.404 -1.743 264 HD13 ILE 36 HD13 ILE 36 2.343 -3.583 -1.505 265 H ASP 37 H ASP 37 2.810 -5.274 -6.667 266 HA ASP 37 HA ASP 37 0.328 -4.109 -7.247 267 HB2 ASP 37 HB3 ASP 37 2.379 -5.247 -9.156 268 HB3 ASP 37 HB2 ASP 37 1.036 -4.216 -9.640 269 H SER 38 H SER 38 1.323 -7.477 -7.856 270 HA SER 38 HA SER 38 -1.434 -7.954 -8.914 271 HB2 SER 38 2HB SER 38 1.106 -9.511 -9.411 272 HB3 SER 38 1HB SER 38 -0.482 -9.942 -10.036 273 H LEU 39 H LEU 39 1.080 -9.944 -7.315 274 HA LEU 39 HA LEU 39 -0.814 -11.767 -6.229 275 HB2 LEU 39 HB3 LEU 39 1.638 -12.210 -6.484 276 HB3 LEU 39 HB2 LEU 39 1.921 -11.130 -5.124 277 HG LEU 39 HG LEU 39 -0.107 -13.221 -4.638 278 HD11 LEU 39 HD11 LEU 39 2.791 -13.852 -5.212 279 HD12 LEU 39 HD12 LEU 39 1.353 -14.654 -5.846 280 HD13 LEU 39 HD13 LEU 39 1.811 -14.870 -4.156 281 HD21 LEU 39 HD21 LEU 39 1.167 -13.353 -2.497 282 HD22 LEU 39 HD22 LEU 39 0.665 -11.705 -2.872 283 HD23 LEU 39 HD23 LEU 39 2.334 -12.203 -3.148 284 H GLY 40 H GLY 40 0.931 -9.102 -4.632 285 HA2 GLY 40 HA3 GLY 40 -0.557 -9.380 -2.174 286 HA3 GLY 40 HA2 GLY 40 0.446 -8.005 -2.613 287 H LEU 41 H LEU 41 -0.896 -7.328 -5.048 288 HA LEU 41 HA LEU 41 -2.936 -5.616 -4.059 289 HB2 LEU 41 HB3 LEU 41 -1.733 -5.327 -6.237 290 HB3 LEU 41 HB2 LEU 41 -2.671 -6.670 -6.889 291 HG LEU 41 HG LEU 41 -4.729 -5.265 -6.035 292 HD11 LEU 41 HD11 LEU 41 -4.252 -2.812 -6.274 293 HD12 LEU 41 HD12 LEU 41 -2.532 -3.197 -6.298 294 HD13 LEU 41 HD13 LEU 41 -3.494 -3.545 -4.861 295 HD21 LEU 41 HD21 LEU 41 -4.169 -5.810 -8.404 296 HD22 LEU 41 HD22 LEU 41 -3.128 -4.387 -8.456 297 HD23 LEU 41 HD23 LEU 41 -4.866 -4.201 -8.225 298 H LEU 42 H LEU 42 -3.152 -8.817 -5.593 299 HA LEU 42 HA LEU 42 -6.004 -8.924 -5.703 300 HB2 LEU 42 HB3 LEU 42 -4.433 -10.538 -6.835 301 HB3 LEU 42 HB2 LEU 42 -4.119 -11.255 -5.261 302 HG LEU 42 HG LEU 42 -6.738 -11.421 -5.125 303 HD11 LEU 42 HD11 LEU 42 -7.916 -11.221 -7.070 304 HD12 LEU 42 HD12 LEU 42 -6.594 -11.856 -8.050 305 HD13 LEU 42 HD13 LEU 42 -6.573 -10.173 -7.526 306 HD21 LEU 42 HD21 LEU 42 -5.755 -13.498 -5.084 307 HD22 LEU 42 HD22 LEU 42 -4.711 -13.144 -6.461 308 HD23 LEU 42 HD23 LEU 42 -6.401 -13.574 -6.723 309 H LYS 43 H LYS 43 -3.701 -9.946 -3.182 310 HA LYS 43 HA LYS 43 -5.713 -10.909 -1.369 311 HB2 LYS 43 HB3 LYS 43 -2.900 -9.917 -0.879 312 HB3 LYS 43 HB2 LYS 43 -3.892 -10.732 0.324 313 HG2 LYS 43 HG3 LYS 43 -4.089 -12.685 -1.218 314 HG3 LYS 43 HG2 LYS 43 -2.985 -11.876 -2.331 315 HD2 LYS 43 HD3 LYS 43 -1.277 -11.791 -0.509 316 HD3 LYS 43 HD2 LYS 43 -2.372 -12.720 0.516 317 HE2 LYS 43 HE3 LYS 43 -2.409 -14.487 -1.303 318 HE3 LYS 43 HE2 LYS 43 -1.102 -13.600 -2.087 319 HZ1 LYS 43 HZ1 LYS 43 -0.799 -14.224 0.749 320 HZ2 LYS 43 HZ2 LYS 43 0.372 -14.153 -0.476 321 HZ3 LYS 43 HZ3 LYS 43 -0.644 -15.509 -0.351 322 H VAL 44 H VAL 44 -4.102 -7.776 -1.789 323 HA VAL 44 HA VAL 44 -5.225 -6.517 0.526 324 HB VAL 44 HB VAL 44 -4.285 -5.343 -2.103 325 HG11 VAL 44 HG11 VAL 44 -5.027 -4.058 0.537 326 HG12 VAL 44 HG12 VAL 44 -5.735 -3.738 -1.046 327 HG13 VAL 44 HG13 VAL 44 -4.077 -3.241 -0.704 328 HG21 VAL 44 HG21 VAL 44 -2.206 -5.627 -1.278 329 HG22 VAL 44 HG22 VAL 44 -2.907 -6.563 0.043 330 HG23 VAL 44 HG23 VAL 44 -2.655 -4.826 0.228 331 H ILE 45 H ILE 45 -6.300 -6.609 -2.869 332 HA ILE 45 HA ILE 45 -8.580 -4.937 -2.538 333 HB ILE 45 HB ILE 45 -7.614 -6.913 -4.526 334 HG12 ILE 45 HG13 ILE 45 -8.022 -5.088 -6.044 335 HG13 ILE 45 HG12 ILE 45 -9.028 -4.255 -4.860 336 HG21 ILE 45 HG21 ILE 45 -9.808 -7.825 -4.341 337 HG22 ILE 45 HG22 ILE 45 -9.864 -6.734 -5.725 338 HG23 ILE 45 HG23 ILE 45 -10.538 -6.227 -4.177 339 HD11 ILE 45 HD11 ILE 45 -7.225 -3.489 -3.665 340 HD12 ILE 45 HD12 ILE 45 -6.426 -3.656 -5.228 341 HD13 ILE 45 HD13 ILE 45 -6.256 -4.920 -4.012 342 H ALA 46 H ALA 46 -8.285 -8.494 -2.408 343 HA ALA 46 HA ALA 46 -11.032 -8.990 -1.787 344 HB1 ALA 46 HB1 ALA 46 -9.968 -11.140 -0.733 345 HB2 ALA 46 HB2 ALA 46 -8.467 -10.519 -1.423 346 HB3 ALA 46 HB3 ALA 46 -9.836 -10.885 -2.474 347 H TRP 47 H TRP 47 -8.187 -8.515 0.307 348 HA TRP 47 HA TRP 47 -9.680 -8.897 2.759 349 HB2 TRP 47 HB3 TRP 47 -7.417 -9.239 3.108 350 HB3 TRP 47 HB2 TRP 47 -6.946 -7.930 2.025 351 HD1 TRP 47 HD1 TRP 47 -8.197 -8.577 5.585 352 HE1 TRP 47 HE1 TRP 47 -7.714 -6.484 7.014 353 HE3 TRP 47 HE3 TRP 47 -6.568 -5.388 1.952 354 HZ2 TRP 47 HZ2 TRP 47 -6.756 -3.808 6.656 355 HZ3 TRP 47 HZ3 TRP 47 -5.874 -3.081 2.516 356 HH2 TRP 47 HH2 TRP 47 -5.966 -2.288 4.858 357 H LEU 48 H LEU 48 -8.638 -6.050 0.902 358 HA LEU 48 HA LEU 48 -9.515 -4.075 2.738 359 HB2 LEU 48 HB3 LEU 48 -8.124 -3.675 0.679 360 HB3 LEU 48 HB2 LEU 48 -9.573 -3.900 -0.285 361 HG LEU 48 HG LEU 48 -10.586 -2.073 1.280 362 HD11 LEU 48 HD11 LEU 48 -7.871 -0.932 1.383 363 HD12 LEU 48 HD12 LEU 48 -8.138 -2.292 2.470 364 HD13 LEU 48 HD13 LEU 48 -9.164 -0.863 2.579 365 HD21 LEU 48 HD21 LEU 48 -9.101 -0.375 -0.248 366 HD22 LEU 48 HD22 LEU 48 -10.472 -1.296 -0.868 367 HD23 LEU 48 HD23 LEU 48 -8.830 -1.897 -1.098 368 H GLU 49 H GLU 49 -11.256 -5.649 0.045 369 HA GLU 49 HA GLU 49 -13.718 -4.226 0.473 370 HB2 GLU 49 HB3 GLU 49 -13.265 -5.417 -1.627 371 HB3 GLU 49 HB2 GLU 49 -13.222 -6.950 -0.770 372 HG2 GLU 49 HG3 GLU 49 -15.573 -6.616 -0.086 373 HG3 GLU 49 HG2 GLU 49 -15.611 -5.114 -0.998 374 H ASP 50 H ASP 50 -12.438 -7.292 1.694 375 HA ASP 50 HA ASP 50 -14.795 -8.100 3.099 376 HB2 ASP 50 HB3 ASP 50 -12.808 -9.551 2.563 377 HB3 ASP 50 HB2 ASP 50 -11.935 -8.711 3.843 378 H ARG 51 H ARG 51 -12.042 -6.081 4.038 379 HA ARG 51 HA ARG 51 -13.023 -5.860 6.792 380 HB2 ARG 51 HB3 ARG 51 -10.594 -5.916 6.248 381 HB3 ARG 51 HB2 ARG 51 -10.771 -4.358 5.440 382 HG2 ARG 51 HG3 ARG 51 -11.597 -3.366 7.553 383 HG3 ARG 51 HG2 ARG 51 -11.376 -4.919 8.359 384 HD2 ARG 51 HD3 ARG 51 -8.952 -4.838 7.745 385 HD3 ARG 51 HD2 ARG 51 -9.210 -3.223 7.086 386 HE ARG 51 HE ARG 51 -10.169 -2.959 9.635 387 HH11 ARG 51 HH22 ARG 51 -7.305 -4.304 8.266 388 HH12 ARG 51 HH21 ARG 51 -6.316 -3.935 9.639 389 HH21 ARG 51 HH11 ARG 51 -8.894 -2.469 11.436 390 HH22 ARG 51 HH12 ARG 51 -7.215 -2.896 11.434 391 H PHE 52 H PHE 52 -12.585 -3.514 4.083 392 HA PHE 52 HA PHE 52 -14.189 -1.582 5.653 393 HB2 PHE 52 HB3 PHE 52 -12.586 -1.299 3.103 394 HB3 PHE 52 HB2 PHE 52 -13.482 0.012 3.864 395 HD1 PHE 52 HD2 PHE 52 -12.855 0.803 6.151 396 HD2 PHE 52 HD1 PHE 52 -10.498 -2.072 3.998 397 HE1 PHE 52 HE2 PHE 52 -10.951 1.214 7.686 398 HE2 PHE 52 HE1 PHE 52 -8.594 -1.661 5.534 399 HZ PHE 52 HZ PHE 52 -8.821 -0.018 7.378 400 H GLY 53 H GLY 53 -14.821 -3.937 3.333 401 HA2 GLY 53 HA3 GLY 53 -16.798 -4.327 2.095 402 HA3 GLY 53 HA2 GLY 53 -17.502 -2.937 2.921 403 H ILE 54 H ILE 54 -14.488 -2.670 1.157 404 HA ILE 54 HA ILE 54 -15.817 -0.741 -0.668 405 HB ILE 54 HB ILE 54 -12.875 -1.361 -0.263 406 HG12 ILE 54 HG13 ILE 54 -14.471 1.028 0.698 407 HG13 ILE 54 HG12 ILE 54 -14.143 -0.378 1.711 408 HG21 ILE 54 HG21 ILE 54 -13.102 -0.391 -2.413 409 HG22 ILE 54 HG22 ILE 54 -12.722 0.972 -1.360 410 HG23 ILE 54 HG23 ILE 54 -14.385 0.695 -1.879 411 HD11 ILE 54 HD11 ILE 54 -12.467 1.391 2.097 412 HD12 ILE 54 HD12 ILE 54 -12.045 1.365 0.384 413 HD13 ILE 54 HD13 ILE 54 -11.720 -0.044 1.394 414 H ALA 55 H ALA 55 -15.959 -1.077 -2.866 415 HA ALA 55 HA ALA 55 -15.876 -3.733 -3.890 416 HB1 ALA 55 HB1 ALA 55 -16.221 -1.006 -5.043 417 HB2 ALA 55 HB2 ALA 55 -17.252 -2.429 -5.193 418 HB3 ALA 55 HB3 ALA 55 -15.783 -2.299 -6.160 419 H ALA 56 H ALA 56 -14.400 -4.695 -5.381 420 HA ALA 56 HA ALA 56 -11.650 -4.337 -4.798 421 HB1 ALA 56 HB1 ALA 56 -12.216 -6.431 -5.711 422 HB2 ALA 56 HB2 ALA 56 -11.374 -5.635 -7.041 423 HB3 ALA 56 HB3 ALA 56 -13.136 -5.709 -7.031 424 H ASP 57 H ASP 57 -13.697 -2.858 -7.251 425 HA ASP 57 HA ASP 57 -13.236 -1.173 -8.818 426 HB2 ASP 57 HB3 ASP 57 -11.086 -0.574 -6.777 427 HB3 ASP 57 HB2 ASP 57 -11.532 0.503 -8.098 428 H ASP 58 H ASP 58 -12.215 -3.655 -9.516 429 HA ASP 58 HA ASP 58 -9.420 -3.220 -10.388 430 HB2 ASP 58 HB3 ASP 58 -11.258 -5.611 -10.575 431 HB3 ASP 58 HB2 ASP 58 -9.609 -5.588 -11.194 432 H VAL 59 H VAL 59 -12.034 -1.941 -11.522 433 HA VAL 59 HA VAL 59 -12.515 -2.899 -14.127 434 HB VAL 59 HB VAL 59 -12.562 -0.085 -13.039 435 HG11 VAL 59 HG11 VAL 59 -13.207 -1.186 -15.756 436 HG12 VAL 59 HG12 VAL 59 -12.413 0.330 -15.330 437 HG13 VAL 59 HG13 VAL 59 -14.156 0.158 -15.121 438 HG21 VAL 59 HG21 VAL 59 -14.210 -1.473 -11.988 439 HG22 VAL 59 HG22 VAL 59 -14.641 -2.231 -13.521 440 HG23 VAL 59 HG23 VAL 59 -15.065 -0.546 -13.220 441 H GLU 60 H GLU 60 -10.037 -0.588 -13.020 442 HA GLU 60 HA GLU 60 -8.468 -1.271 -15.445 443 HB2 GLU 60 HB3 GLU 60 -9.779 0.799 -15.956 444 HB3 GLU 60 HB2 GLU 60 -8.992 1.591 -14.596 445 HG2 GLU 60 HG3 GLU 60 -6.790 1.123 -15.647 446 HG3 GLU 60 HG2 GLU 60 -7.630 0.449 -17.039 447 H LEU 61 H LEU 61 -6.444 -1.771 -14.779 448 HA LEU 61 HA LEU 61 -5.340 -0.339 -12.404 449 HB2 LEU 61 HB3 LEU 61 -4.846 -3.255 -13.048 450 HB3 LEU 61 HB2 LEU 61 -4.349 -2.384 -11.599 451 HG LEU 61 HG LEU 61 -7.020 -1.906 -11.560 452 HD11 LEU 61 HD11 LEU 61 -8.135 -4.078 -12.075 453 HD12 LEU 61 HD12 LEU 61 -6.625 -4.658 -12.774 454 HD13 LEU 61 HD13 LEU 61 -7.475 -3.300 -13.512 455 HD21 LEU 61 HD21 LEU 61 -7.098 -3.913 -9.971 456 HD22 LEU 61 HD22 LEU 61 -5.858 -2.705 -9.633 457 HD23 LEU 61 HD23 LEU 61 -5.424 -4.215 -10.435 458 H SER 62 H SER 62 -3.188 0.316 -12.639 459 HA SER 62 HA SER 62 -1.667 -0.729 -14.950 460 HB2 SER 62 HB3 SER 62 -2.991 1.789 -14.985 461 HB3 SER 62 HB2 SER 62 -1.264 2.110 -14.853 462 HG SER 62 HG SER 62 -1.385 1.772 -16.946 463 HA PRO 63 HA PRO 63 1.701 -0.538 -12.090 464 HB2 PRO 63 HB2 PRO 63 3.771 0.101 -13.824 465 HB3 PRO 63 HB3 PRO 63 3.121 -1.529 -13.583 466 HG2 PRO 63 HG3 PRO 63 2.603 0.414 -15.763 467 HG3 PRO 63 HG2 PRO 63 2.716 -1.353 -15.822 468 HD2 PRO 63 HD3 PRO 63 0.332 -0.037 -15.904 469 HD3 PRO 63 HD2 PRO 63 0.510 -1.652 -15.183 470 H GLU 64 H GLU 64 1.082 2.192 -14.187 471 HA GLU 64 HA GLU 64 2.961 4.043 -13.135 472 HB2 GLU 64 HB3 GLU 64 0.194 4.513 -14.244 473 HB3 GLU 64 HB2 GLU 64 1.378 5.780 -13.957 474 HG2 GLU 64 HG3 GLU 64 2.946 4.625 -15.485 475 HG3 GLU 64 HG2 GLU 64 1.705 3.422 -15.816 476 H HIS 65 H HIS 65 -0.171 2.980 -11.937 477 HA HIS 65 HA HIS 65 -0.418 5.062 -9.938 478 HB2 HIS 65 HB3 HIS 65 -2.358 3.780 -10.804 479 HB3 HIS 65 HB2 HIS 65 -1.722 2.328 -10.031 480 HD1 HIS 65 HD1 HIS 65 -2.491 5.913 -8.934 481 HD2 HIS 65 HD2 HIS 65 -2.808 2.001 -7.520 482 HE1 HIS 65 HE1 HIS 65 -3.577 6.061 -6.650 483 HE2 HIS 65 HE2 HIS 65 -3.777 3.687 -5.781 484 H PHE 66 H PHE 66 1.210 1.962 -10.027 485 HA PHE 66 HA PHE 66 1.564 1.994 -7.085 486 HB2 PHE 66 HB3 PHE 66 2.430 -0.016 -9.182 487 HB3 PHE 66 HB2 PHE 66 2.625 -0.220 -7.442 488 HD1 PHE 66 HD1 PHE 66 0.582 -0.269 -5.961 489 HD2 PHE 66 HD2 PHE 66 0.335 -0.413 -10.247 490 HE1 PHE 66 HE1 PHE 66 -1.744 -1.113 -5.798 491 HE2 PHE 66 HE2 PHE 66 -1.991 -1.259 -10.084 492 HZ PHE 66 HZ PHE 66 -3.031 -1.608 -7.861 493 H ARG 67 H ARG 67 3.054 3.614 -9.469 494 HA ARG 67 HA ARG 67 5.812 2.973 -9.206 495 HB2 ARG 67 HB3 ARG 67 4.479 5.631 -9.786 496 HB3 ARG 67 HB2 ARG 67 6.205 5.329 -9.960 497 HG2 ARG 67 HG3 ARG 67 4.206 3.553 -11.319 498 HG3 ARG 67 HG2 ARG 67 4.690 5.076 -12.060 499 HD2 ARG 67 HD3 ARG 67 7.098 4.311 -11.796 500 HD3 ARG 67 HD2 ARG 67 6.468 2.729 -11.338 501 HE ARG 67 HE ARG 67 5.354 3.665 -13.852 502 HH11 ARG 67 HH22 ARG 67 8.033 2.179 -12.271 503 HH12 ARG 67 HH21 ARG 67 8.556 1.317 -13.679 504 HH21 ARG 67 HH11 ARG 67 6.022 2.548 -15.700 505 HH22 ARG 67 HH12 ARG 67 7.418 1.526 -15.620 506 H SER 68 H SER 68 3.745 5.076 -7.205 507 HA SER 68 HA SER 68 5.912 5.016 -5.168 508 HB2 SER 68 HB3 SER 68 5.778 7.404 -4.782 509 HB3 SER 68 HB2 SER 68 6.108 7.138 -6.491 510 HG SER 68 HG SER 68 3.463 7.340 -5.541 511 H ILE 69 H ILE 69 5.157 5.396 -3.006 512 HA ILE 69 HA ILE 69 2.570 4.323 -2.429 513 HB ILE 69 HB ILE 69 4.456 5.914 -0.666 514 HG12 ILE 69 HG13 ILE 69 4.117 2.924 -0.920 515 HG13 ILE 69 HG12 ILE 69 5.389 3.831 -1.725 516 HG21 ILE 69 HG21 ILE 69 2.184 4.038 -0.012 517 HG22 ILE 69 HG22 ILE 69 2.192 5.782 0.248 518 HG23 ILE 69 HG23 ILE 69 3.287 4.746 1.164 519 HD11 ILE 69 HD11 ILE 69 5.652 2.748 0.760 520 HD12 ILE 69 HD12 ILE 69 5.106 4.376 1.164 521 HD13 ILE 69 HD13 ILE 69 6.565 4.149 0.201 522 H ARG 70 H ARG 70 3.820 7.630 -2.630 523 HA ARG 70 HA ARG 70 1.618 8.973 -1.443 524 HB2 ARG 70 HB3 ARG 70 3.472 9.883 -3.663 525 HB3 ARG 70 HB2 ARG 70 2.388 10.944 -2.761 526 HG2 ARG 70 HG3 ARG 70 3.518 10.227 -0.649 527 HG3 ARG 70 HG2 ARG 70 4.663 9.300 -1.617 528 HD2 ARG 70 HD3 ARG 70 4.219 12.296 -1.753 529 HD3 ARG 70 HD2 ARG 70 5.629 11.480 -1.078 530 HE ARG 70 HE ARG 70 5.138 10.748 -3.852 531 HH11 ARG 70 HH22 ARG 70 6.499 13.042 -1.668 532 HH12 ARG 70 HH21 ARG 70 7.676 13.621 -2.800 533 HH21 ARG 70 HH11 ARG 70 6.666 11.490 -5.343 534 HH22 ARG 70 HH12 ARG 70 7.770 12.742 -4.881 535 H SER 71 H SER 71 2.092 7.864 -4.798 536 HA SER 71 HA SER 71 -0.157 9.182 -5.933 537 HB2 SER 71 HB3 SER 71 1.613 7.899 -7.201 538 HB3 SER 71 HB2 SER 71 0.837 6.412 -6.664 539 HG SER 71 HG SER 71 -0.016 8.345 -8.485 540 H ILE 72 H ILE 72 0.088 5.977 -4.388 541 HA ILE 72 HA ILE 72 -2.698 5.341 -4.667 542 HB ILE 72 HB ILE 72 -0.650 4.329 -2.671 543 HG12 ILE 72 HG13 ILE 72 -1.549 3.168 -5.328 544 HG13 ILE 72 HG12 ILE 72 -0.032 4.034 -5.081 545 HG21 ILE 72 HG21 ILE 72 -3.347 3.287 -3.561 546 HG22 ILE 72 HG22 ILE 72 -2.890 3.804 -1.939 547 HG23 ILE 72 HG23 ILE 72 -2.187 2.342 -2.629 548 HD11 ILE 72 HD11 ILE 72 -0.264 2.042 -3.040 549 HD12 ILE 72 HD12 ILE 72 0.934 2.148 -4.330 550 HD13 ILE 72 HD13 ILE 72 -0.575 1.275 -4.597 551 H ASP 73 H ASP 73 -0.776 6.909 -2.137 552 HA ASP 73 HA ASP 73 -2.673 6.967 -0.062 553 HB2 ASP 73 HB3 ASP 73 -0.632 9.060 -0.862 554 HB3 ASP 73 HB2 ASP 73 -1.480 9.028 0.682 555 H ALA 74 H ALA 74 -2.301 9.205 -2.819 556 HA ALA 74 HA ALA 74 -4.361 11.008 -1.958 557 HB1 ALA 74 HB1 ALA 74 -4.422 11.456 -4.564 558 HB2 ALA 74 HB2 ALA 74 -2.969 10.456 -4.555 559 HB3 ALA 74 HB3 ALA 74 -3.020 11.945 -3.612 560 H PHE 75 H PHE 75 -4.414 8.232 -4.192 561 HA PHE 75 HA PHE 75 -7.194 8.448 -4.835 562 HB2 PHE 75 HB3 PHE 75 -5.556 7.047 -6.094 563 HB3 PHE 75 HB2 PHE 75 -5.515 5.936 -4.727 564 HD1 PHE 75 HD2 PHE 75 -7.652 7.356 -7.398 565 HD2 PHE 75 HD1 PHE 75 -7.335 4.422 -4.276 566 HE1 PHE 75 HE2 PHE 75 -9.691 6.230 -8.248 567 HE2 PHE 75 HE1 PHE 75 -9.374 3.297 -5.127 568 HZ PHE 75 HZ PHE 75 -10.552 4.201 -7.113 569 H VAL 76 H VAL 76 -5.486 6.536 -2.355 570 HA VAL 76 HA VAL 76 -7.848 5.349 -1.259 571 HB VAL 76 HB VAL 76 -5.100 5.877 -0.103 572 HG11 VAL 76 HG11 VAL 76 -7.484 4.406 1.031 573 HG12 VAL 76 HG12 VAL 76 -6.582 5.730 1.768 574 HG13 VAL 76 HG13 VAL 76 -5.836 4.141 1.599 575 HG21 VAL 76 HG21 VAL 76 -6.487 3.416 -1.213 576 HG22 VAL 76 HG22 VAL 76 -4.906 3.400 -0.433 577 HG23 VAL 76 HG23 VAL 76 -5.134 4.278 -1.946 578 H VAL 77 H VAL 77 -5.983 8.263 -0.328 579 HA VAL 77 HA VAL 77 -7.573 8.928 1.940 580 HB VAL 77 HB VAL 77 -5.903 10.606 0.056 581 HG11 VAL 77 HG11 VAL 77 -7.501 12.124 0.959 582 HG12 VAL 77 HG12 VAL 77 -6.058 12.303 1.957 583 HG13 VAL 77 HG13 VAL 77 -7.430 11.365 2.549 584 HG21 VAL 77 HG21 VAL 77 -4.239 10.469 1.740 585 HG22 VAL 77 HG22 VAL 77 -4.907 8.838 1.668 586 HG23 VAL 77 HG23 VAL 77 -5.397 9.935 2.958 587 H GLY 78 H GLY 78 -7.876 9.793 -1.490 588 HA2 GLY 78 HA3 GLY 78 -9.983 11.666 -1.253 589 HA3 GLY 78 HA2 GLY 78 -9.695 10.667 -2.676 590 H ALA 79 H ALA 79 -10.068 8.124 -1.225 591 HA ALA 79 HA ALA 79 -13.036 8.245 -1.061 592 HB1 ALA 79 HB1 ALA 79 -12.346 6.692 -2.724 593 HB2 ALA 79 HB2 ALA 79 -12.815 5.714 -1.333 594 HB3 ALA 79 HB3 ALA 79 -11.108 6.006 -1.671 595 H THR 80 H THR 80 -10.286 6.650 0.578 596 HA THR 80 HA THR 80 -11.915 6.716 3.082 597 HB THR 80 HB THR 80 -10.130 4.438 2.215 598 HG1 THR 80 HG1 THR 80 -11.821 3.781 1.196 599 HG21 THR 80 HG21 THR 80 -11.403 5.211 4.726 600 HG22 THR 80 HG22 THR 80 -10.162 3.994 4.427 601 HG23 THR 80 HG23 THR 80 -11.865 3.590 4.207 602 H THR 81 H THR 81 -10.793 7.364 4.895 603 HA THR 81 HA THR 81 -7.837 7.677 4.627 604 HB THR 81 HB THR 81 -8.671 9.888 4.378 605 HG1 THR 81 HG1 THR 81 -7.244 10.342 5.842 606 HG21 THR 81 HG21 THR 81 -10.727 8.916 6.290 607 HG22 THR 81 HG22 THR 81 -10.900 9.975 4.890 608 HG23 THR 81 HG23 THR 81 -10.284 10.619 6.412 609 HA PRO 82 HA PRO 82 -8.806 5.160 8.387 610 HB2 PRO 82 HB2 PRO 82 -6.069 4.173 7.908 611 HB3 PRO 82 HB3 PRO 82 -7.578 3.260 8.074 612 HG2 PRO 82 HG3 PRO 82 -6.297 3.535 5.727 613 HG3 PRO 82 HG2 PRO 82 -8.059 3.392 5.850 614 HD2 PRO 82 HD3 PRO 82 -6.397 5.829 5.341 615 HD3 PRO 82 HD2 PRO 82 -8.002 5.402 4.705 616 HA PRO 83 HA PRO 83 -6.432 7.210 11.514 617 HB2 PRO 83 HB2 PRO 83 -4.894 4.836 12.364 618 HB3 PRO 83 HB3 PRO 83 -6.082 5.789 13.269 619 HG2 PRO 83 HG3 PRO 83 -6.593 3.307 12.372 620 HG3 PRO 83 HG2 PRO 83 -7.845 4.552 12.522 621 HD2 PRO 83 HD3 PRO 83 -6.480 3.539 10.060 622 HD3 PRO 83 HD2 PRO 83 -8.153 4.100 10.276 623 H VAL 84 H VAL 84 -4.421 8.269 11.855 624 HA VAL 84 HA VAL 84 -2.281 7.516 9.907 625 HB VAL 84 HB VAL 84 -2.793 10.182 11.259 626 HG11 VAL 84 HG11 VAL 84 -0.642 10.532 10.638 627 HG12 VAL 84 HG12 VAL 84 -1.263 10.578 8.988 628 HG13 VAL 84 HG13 VAL 84 -0.607 9.077 9.642 629 HG21 VAL 84 HG21 VAL 84 -3.474 9.109 8.508 630 HG22 VAL 84 HG22 VAL 84 -3.441 10.833 8.881 631 HG23 VAL 84 HG23 VAL 84 -4.582 9.774 9.709 632 H GLU 85 H GLU 85 -0.310 6.938 10.694 633 HA GLU 85 HA GLU 85 0.217 7.387 13.600 634 HB2 GLU 85 HB3 GLU 85 1.050 5.025 11.889 635 HB3 GLU 85 HB2 GLU 85 1.463 5.254 13.588 636 HG2 GLU 85 HG3 GLU 85 -0.961 5.284 14.147 637 HG3 GLU 85 HG2 GLU 85 -1.334 4.964 12.453 638 H ALA 86 H ALA 86 2.449 7.814 14.143 639 HA ALA 86 HA ALA 86 3.904 9.139 11.946 640 HB1 ALA 86 HB1 ALA 86 5.523 9.553 14.016 641 HB2 ALA 86 HB2 ALA 86 4.082 9.115 14.934 642 HB3 ALA 86 HB3 ALA 86 4.039 10.487 13.827 643 H LYS 87 H LYS 87 5.563 8.171 10.876 644 HA LYS 87 HA LYS 87 6.304 5.460 11.315 645 HB2 LYS 87 HB3 LYS 87 7.810 7.681 9.899 646 HB3 LYS 87 HB2 LYS 87 8.224 5.970 9.796 647 HG2 LYS 87 HG3 LYS 87 5.925 5.509 8.931 648 HG3 LYS 87 HG2 LYS 87 5.616 7.246 8.924 649 HD2 LYS 87 HD3 LYS 87 7.575 7.548 7.405 650 HD3 LYS 87 HD2 LYS 87 7.758 5.795 7.343 651 HE2 LYS 87 HE3 LYS 87 6.297 5.804 5.625 652 HE3 LYS 87 HE2 LYS 87 5.050 6.231 6.795 653 HZ1 LYS 87 HZ1 LYS 87 5.106 8.405 6.209 654 HZ2 LYS 87 HZ2 LYS 87 5.593 7.745 4.725 655 HZ3 LYS 87 HZ3 LYS 87 6.753 8.381 5.791 656 H LEU 88 H LEU 88 7.693 8.485 12.509 657 HA LEU 88 HA LEU 88 10.120 7.466 13.563 658 HB2 LEU 88 HB3 LEU 88 9.508 9.891 13.448 659 HB3 LEU 88 HB2 LEU 88 8.375 9.632 14.773 660 HG LEU 88 HG LEU 88 10.300 8.759 16.149 661 HD11 LEU 88 HD11 LEU 88 12.478 9.978 14.914 662 HD12 LEU 88 HD12 LEU 88 11.649 9.164 13.587 663 HD13 LEU 88 HD13 LEU 88 12.174 8.243 14.996 664 HD21 LEU 88 HD21 LEU 88 9.467 11.087 16.350 665 HD22 LEU 88 HD22 LEU 88 10.590 11.587 15.085 666 HD23 LEU 88 HD23 LEU 88 11.207 10.995 16.628 667 H GLN 89 H GLN 89 6.837 7.462 14.900 668 HA GLN 89 HA GLN 89 7.786 5.502 16.939 669 HB2 GLN 89 HB3 GLN 89 5.960 7.872 17.444 670 HB3 GLN 89 HB2 GLN 89 6.278 6.585 18.607 671 HG2 GLN 89 HG3 GLN 89 8.671 7.132 18.592 672 HG3 GLN 89 HG2 GLN 89 8.389 8.390 17.387 673 HE21 GLN 89 HE22 GLN 89 9.512 9.050 19.925 674 HE22 GLN 89 HE21 GLN 89 8.382 9.969 20.797 675 H1 PN7 101 3HO SAT 38 1.977 -4.947 -11.202 676 H2 PN7 101 1H1 SAT 38 -1.070 -6.029 -11.387 677 H3 PN7 101 2H1 SAT 38 -2.200 -5.997 -12.741 678 H5 PN7 101 3HE1 SAT 38 -0.190 -3.510 -11.433 679 H6 PN7 101 1HE1 SAT 38 -1.822 -3.611 -12.094 680 H7 PN7 101 2HE1 SAT 38 -0.565 -2.743 -12.975 681 H8 PN7 101 2HE2 SAT 38 -0.295 -3.857 -14.956 682 H9 PN7 101 3HE2 SAT 38 -1.825 -4.683 -14.660 683 H10 PN7 101 1HE2 SAT 38 -0.390 -5.613 -15.091 684 H11 PN7 101 3H SAT 38 1.413 -5.883 -13.649 685 H12 PN7 101 5H SAT 38 2.341 -2.796 -11.572 686 H13 PN7 101 2H6 SAT 38 4.623 -3.337 -11.446 687 H14 PN7 101 1H6 SAT 38 4.557 -3.301 -13.208 688 H15 PN7 101 1H7 SAT 38 5.322 -5.489 -12.669 689 H16 PN7 101 2H7 SAT 38 3.613 -5.690 -13.054 690 H17 PN7 101 9H SAT 38 2.513 -6.937 -11.516 691 H18 PN7 101 2H10 SAT 38 2.530 -7.754 -9.092 692 H19 PN7 101 1H10 SAT 38 4.285 -7.614 -9.204 693 H20 PN7 101 1H11 SAT 38 2.674 -9.366 -11.070 694 H21 PN7 101 2H11 SAT 38 3.344 -9.960 -9.550 695 H22 PN7 101 2HS1 SAT 38 5.276 -8.664 -11.626 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -1.676 14.900 0.639 2 H2 MET 1 H2 MET 1 -0.759 15.252 2.026 3 H3 MET 1 H3 MET 1 -2.441 15.493 2.032 4 HA MET 1 HA MET 1 -2.624 13.009 1.564 5 HB2 MET 1 HB3 MET 1 0.239 13.290 2.517 6 HB3 MET 1 HB2 MET 1 -0.653 11.768 2.548 7 HG2 MET 1 HG3 MET 1 -1.048 11.990 0.098 8 HG3 MET 1 HG2 MET 1 -0.051 13.444 0.097 9 HE1 MET 1 HE1 MET 1 2.346 12.370 2.386 10 HE2 MET 1 HE2 MET 1 2.083 13.607 1.159 11 HE3 MET 1 HE3 MET 1 3.395 12.435 0.972 12 H GLN 2 H GLN 2 -3.795 12.245 3.258 13 HA GLN 2 HA GLN 2 -3.438 13.600 5.890 14 HB2 GLN 2 HB3 GLN 2 -5.742 11.937 4.817 15 HB3 GLN 2 HB2 GLN 2 -5.706 12.734 6.391 16 HG2 GLN 2 HG3 GLN 2 -5.390 14.923 5.227 17 HG3 GLN 2 HG2 GLN 2 -5.573 14.089 3.683 18 HE21 GLN 2 HE22 GLN 2 -7.542 12.400 5.735 19 HE22 GLN 2 HE21 GLN 2 -8.999 13.237 5.493 20 H HIS 3 H HIS 3 -2.683 12.420 7.620 21 HA HIS 3 HA HIS 3 -1.745 10.586 8.756 22 HB2 HIS 3 HB3 HIS 3 -3.908 9.030 7.309 23 HB3 HIS 3 HB2 HIS 3 -3.116 8.593 8.822 24 HD1 HIS 3 HD1 HIS 3 -3.458 10.484 10.814 25 HD2 HIS 3 HD2 HIS 3 -6.227 10.490 7.693 26 HE1 HIS 3 HE1 HIS 3 -5.478 11.770 11.648 27 HE2 HIS 3 HE2 HIS 3 -7.168 11.779 9.756 28 H ALA 4 H ALA 4 -0.616 11.279 6.189 29 HA ALA 4 HA ALA 4 -0.211 9.045 4.480 30 HB1 ALA 4 HB1 ALA 4 0.626 11.672 4.517 31 HB2 ALA 4 HB2 ALA 4 1.160 10.456 3.357 32 HB3 ALA 4 HB3 ALA 4 2.130 10.793 4.791 33 H SER 5 H SER 5 1.368 9.975 7.502 34 HA SER 5 HA SER 5 3.601 8.212 7.330 35 HB2 SER 5 HB3 SER 5 3.792 8.486 9.730 36 HB3 SER 5 HB2 SER 5 3.299 10.030 9.040 37 HG SER 5 HG SER 5 1.541 8.076 10.122 38 H VAL 6 H VAL 6 0.258 7.665 8.343 39 HA VAL 6 HA VAL 6 0.691 5.045 9.441 40 HB VAL 6 HB VAL 6 -1.762 6.345 8.255 41 HG11 VAL 6 HG11 VAL 6 -2.084 3.975 8.013 42 HG12 VAL 6 HG12 VAL 6 -2.966 4.458 9.461 43 HG13 VAL 6 HG13 VAL 6 -1.400 3.661 9.609 44 HG21 VAL 6 HG21 VAL 6 -1.894 5.696 11.051 45 HG22 VAL 6 HG22 VAL 6 -1.956 7.287 10.293 46 HG23 VAL 6 HG23 VAL 6 -0.402 6.584 10.742 47 H ILE 7 H ILE 7 -0.089 6.208 6.194 48 HA ILE 7 HA ILE 7 -0.550 3.686 4.978 49 HB ILE 7 HB ILE 7 0.673 6.187 3.784 50 HG12 ILE 7 HG13 ILE 7 -2.190 5.184 3.720 51 HG13 ILE 7 HG12 ILE 7 -1.607 6.399 4.858 52 HG21 ILE 7 HG21 ILE 7 0.050 3.530 2.706 53 HG22 ILE 7 HG22 ILE 7 1.025 4.823 2.009 54 HG23 ILE 7 HG23 ILE 7 -0.729 4.836 1.815 55 HD11 ILE 7 HD11 ILE 7 -2.482 7.688 3.092 56 HD12 ILE 7 HD12 ILE 7 -1.848 6.595 1.861 57 HD13 ILE 7 HD13 ILE 7 -0.752 7.651 2.753 58 H ALA 8 H ALA 8 2.485 5.506 5.416 59 HA ALA 8 HA ALA 8 4.142 3.646 4.014 60 HB1 ALA 8 HB1 ALA 8 4.656 6.051 4.989 61 HB2 ALA 8 HB2 ALA 8 5.949 4.861 4.836 62 HB3 ALA 8 HB3 ALA 8 5.182 5.134 6.401 63 H GLN 9 H GLN 9 3.351 3.928 7.474 64 HA GLN 9 HA GLN 9 4.835 1.563 8.196 65 HB2 GLN 9 HB3 GLN 9 4.266 2.077 10.338 66 HB3 GLN 9 HB2 GLN 9 3.756 3.606 9.631 67 HG2 GLN 9 HG3 GLN 9 1.907 2.907 10.926 68 HG3 GLN 9 HG2 GLN 9 1.472 2.476 9.279 69 HE21 GLN 9 HE22 GLN 9 0.203 0.601 9.691 70 HE22 GLN 9 HE21 GLN 9 0.807 -0.784 10.464 71 H PHE 10 H PHE 10 1.528 2.196 7.208 72 HA PHE 10 HA PHE 10 0.456 -0.387 7.830 73 HB2 PHE 10 HB3 PHE 10 -0.888 1.657 7.267 74 HB3 PHE 10 HB2 PHE 10 -0.355 1.495 5.596 75 HD1 PHE 10 HD1 PHE 10 -2.215 -0.222 8.327 76 HD2 PHE 10 HD2 PHE 10 -1.389 -0.046 4.116 77 HE1 PHE 10 HE1 PHE 10 -4.059 -1.825 7.898 78 HE2 PHE 10 HE2 PHE 10 -3.231 -1.650 3.687 79 HZ PHE 10 HZ PHE 10 -4.567 -2.535 5.579 80 H VAL 11 H VAL 11 1.742 0.945 4.783 81 HA VAL 11 HA VAL 11 1.571 -1.564 3.365 82 HB VAL 11 HB VAL 11 3.330 0.844 2.817 83 HG11 VAL 11 HG11 VAL 11 2.404 -0.581 0.497 84 HG12 VAL 11 HG12 VAL 11 3.191 -1.713 1.597 85 HG13 VAL 11 HG13 VAL 11 4.063 -0.291 1.022 86 HG21 VAL 11 HG21 VAL 11 1.544 1.732 1.536 87 HG22 VAL 11 HG22 VAL 11 0.780 1.178 3.026 88 HG23 VAL 11 HG23 VAL 11 0.660 0.206 1.558 89 H VAL 12 H VAL 12 4.214 0.142 5.015 90 HA VAL 12 HA VAL 12 6.264 -1.748 4.400 91 HB VAL 12 HB VAL 12 6.010 0.134 6.749 92 HG11 VAL 12 HG11 VAL 12 8.462 -1.204 5.571 93 HG12 VAL 12 HG12 VAL 12 7.688 -1.679 7.078 94 HG13 VAL 12 HG13 VAL 12 8.438 -0.092 6.939 95 HG21 VAL 12 HG21 VAL 12 6.063 0.854 4.158 96 HG22 VAL 12 HG22 VAL 12 7.794 0.644 4.420 97 HG23 VAL 12 HG23 VAL 12 6.885 1.787 5.408 98 H GLU 13 H GLU 13 3.874 -1.628 6.998 99 HA GLU 13 HA GLU 13 4.974 -3.542 8.746 100 HB2 GLU 13 HB3 GLU 13 2.914 -2.235 9.219 101 HB3 GLU 13 HB2 GLU 13 2.053 -3.223 8.046 102 HG2 GLU 13 HG3 GLU 13 2.638 -5.250 9.370 103 HG3 GLU 13 HG2 GLU 13 3.391 -4.203 10.571 104 H GLU 14 H GLU 14 3.302 -3.991 5.683 105 HA GLU 14 HA GLU 14 2.873 -6.814 5.943 106 HB2 GLU 14 HB3 GLU 14 1.793 -5.372 4.208 107 HB3 GLU 14 HB2 GLU 14 3.352 -5.248 3.393 108 HG2 GLU 14 HG3 GLU 14 3.420 -7.719 3.194 109 HG3 GLU 14 HG2 GLU 14 1.825 -7.806 3.942 110 H PHE 15 H PHE 15 5.670 -4.911 4.950 111 HA PHE 15 HA PHE 15 7.254 -7.431 4.962 112 HB2 PHE 15 HB3 PHE 15 8.412 -6.827 2.917 113 HB3 PHE 15 HB2 PHE 15 6.678 -6.826 2.593 114 HD1 PHE 15 HD2 PHE 15 5.420 -4.617 2.650 115 HD2 PHE 15 HD1 PHE 15 9.710 -4.853 2.647 116 HE1 PHE 15 HE2 PHE 15 5.551 -2.245 1.939 117 HE2 PHE 15 HE1 PHE 15 9.840 -2.480 1.940 118 HZ PHE 15 HZ PHE 15 7.760 -1.177 1.585 119 H LEU 16 H LEU 16 7.143 -5.552 7.055 120 HA LEU 16 HA LEU 16 9.358 -3.694 6.758 121 HB2 LEU 16 HB3 LEU 16 8.692 -2.783 8.739 122 HB3 LEU 16 HB2 LEU 16 7.205 -3.610 8.335 123 HG LEU 16 HG LEU 16 9.377 -4.685 10.168 124 HD11 LEU 16 HD11 LEU 16 7.160 -4.472 11.685 125 HD12 LEU 16 HD12 LEU 16 6.886 -3.129 10.575 126 HD13 LEU 16 HD13 LEU 16 8.356 -3.183 11.547 127 HD21 LEU 16 HD21 LEU 16 8.283 -6.681 10.188 128 HD22 LEU 16 HD22 LEU 16 7.520 -6.140 8.697 129 HD23 LEU 16 HD23 LEU 16 6.703 -5.901 10.237 130 HA PRO 17 HA PRO 17 12.367 -6.786 7.988 131 HB2 PRO 17 HB2 PRO 17 14.567 -5.185 8.053 132 HB3 PRO 17 HB3 PRO 17 13.813 -5.685 6.529 133 HG2 PRO 17 HG3 PRO 17 13.581 -3.104 7.994 134 HG3 PRO 17 HG2 PRO 17 13.733 -3.406 6.256 135 HD2 PRO 17 HD3 PRO 17 11.344 -2.849 7.500 136 HD3 PRO 17 HD2 PRO 17 11.484 -3.779 5.993 137 H ASP 18 H ASP 18 14.614 -5.848 9.668 138 HA ASP 18 HA ASP 18 13.258 -5.932 12.246 139 HB2 ASP 18 HB3 ASP 18 15.522 -5.960 13.173 140 HB3 ASP 18 HB2 ASP 18 15.424 -7.096 11.832 141 H VAL 19 H VAL 19 13.313 -3.539 10.191 142 HA VAL 19 HA VAL 19 14.060 -1.429 12.179 143 HB VAL 19 HB VAL 19 13.757 -1.138 9.178 144 HG11 VAL 19 HG11 VAL 19 15.276 0.652 11.073 145 HG12 VAL 19 HG12 VAL 19 13.544 0.866 10.816 146 HG13 VAL 19 HG13 VAL 19 14.662 1.022 9.461 147 HG21 VAL 19 HG21 VAL 19 16.112 -1.850 10.915 148 HG22 VAL 19 HG22 VAL 19 16.361 -0.927 9.433 149 HG23 VAL 19 HG23 VAL 19 15.634 -2.532 9.360 150 H ALA 20 H ALA 20 12.464 -0.003 12.819 151 HA ALA 20 HA ALA 20 9.715 -0.633 12.186 152 HB1 ALA 20 HB1 ALA 20 10.113 0.245 14.361 153 HB2 ALA 20 HB2 ALA 20 9.289 1.536 13.488 154 HB3 ALA 20 HB3 ALA 20 11.035 1.605 13.723 155 HA PRO 21 HA PRO 21 9.320 1.691 8.363 156 HB2 PRO 21 HB2 PRO 21 6.693 2.565 9.454 157 HB3 PRO 21 HB3 PRO 21 7.075 1.802 7.900 158 HG2 PRO 21 HG3 PRO 21 5.920 0.473 9.937 159 HG3 PRO 21 HG2 PRO 21 6.989 -0.300 8.758 160 HD2 PRO 21 HD3 PRO 21 7.497 0.318 11.604 161 HD3 PRO 21 HD2 PRO 21 8.277 -0.873 10.539 162 H ALA 22 H ALA 22 8.507 3.189 11.462 163 HA ALA 22 HA ALA 22 8.537 5.912 10.552 164 HB1 ALA 22 HB1 ALA 22 7.632 5.842 12.662 165 HB2 ALA 22 HB2 ALA 22 9.303 6.156 13.132 166 HB3 ALA 22 HB3 ALA 22 8.670 4.510 13.173 167 H ASP 23 H ASP 23 11.040 3.628 11.345 168 HA ASP 23 HA ASP 23 13.107 5.763 11.284 169 HB2 ASP 23 HB3 ASP 23 13.261 2.814 11.979 170 HB3 ASP 23 HB2 ASP 23 14.652 3.898 11.951 171 H VAL 24 H VAL 24 11.453 4.033 9.101 172 HA VAL 24 HA VAL 24 13.815 3.485 7.361 173 HB VAL 24 HB VAL 24 10.927 2.613 7.018 174 HG11 VAL 24 HG11 VAL 24 13.373 2.436 5.372 175 HG12 VAL 24 HG12 VAL 24 11.681 2.330 4.888 176 HG13 VAL 24 HG13 VAL 24 12.498 0.916 5.555 177 HG21 VAL 24 HG21 VAL 24 13.188 0.755 7.671 178 HG22 VAL 24 HG22 VAL 24 11.468 0.587 8.022 179 HG23 VAL 24 HG23 VAL 24 12.460 1.688 8.978 180 H ASP 25 H ASP 25 14.065 4.669 5.480 181 HA ASP 25 HA ASP 25 12.665 7.161 5.239 182 HB2 ASP 25 HB3 ASP 25 14.408 5.659 3.263 183 HB3 ASP 25 HB2 ASP 25 13.839 7.312 3.026 184 H VAL 26 H VAL 26 10.440 6.872 4.993 185 HA VAL 26 HA VAL 26 9.198 4.941 3.294 186 HB VAL 26 HB VAL 26 7.188 6.271 3.526 187 HG11 VAL 26 HG11 VAL 26 7.096 6.507 5.939 188 HG12 VAL 26 HG12 VAL 26 8.852 6.637 6.035 189 HG13 VAL 26 HG13 VAL 26 8.106 5.111 5.562 190 HG21 VAL 26 HG21 VAL 26 7.724 8.477 3.019 191 HG22 VAL 26 HG22 VAL 26 9.183 8.458 4.010 192 HG23 VAL 26 HG23 VAL 26 7.599 8.574 4.776 193 H ASP 27 H ASP 27 11.319 7.213 2.337 194 HA ASP 27 HA ASP 27 9.885 8.055 -0.111 195 HB2 ASP 27 HB3 ASP 27 12.667 8.673 0.936 196 HB3 ASP 27 HB2 ASP 27 12.007 9.315 -0.569 197 H LEU 28 H LEU 28 11.145 5.270 0.772 198 HA LEU 28 HA LEU 28 12.964 4.764 -1.484 199 HB2 LEU 28 HB3 LEU 28 13.271 3.691 0.762 200 HB3 LEU 28 HB2 LEU 28 11.767 2.812 0.503 201 HG LEU 28 HG LEU 28 12.891 2.047 -1.735 202 HD11 LEU 28 HD11 LEU 28 15.389 1.831 -1.426 203 HD12 LEU 28 HD12 LEU 28 15.257 2.956 -0.075 204 HD13 LEU 28 HD13 LEU 28 14.831 3.480 -1.704 205 HD21 LEU 28 HD21 LEU 28 13.283 1.094 1.059 206 HD22 LEU 28 HD22 LEU 28 14.295 0.353 -0.180 207 HD23 LEU 28 HD23 LEU 28 12.538 0.276 -0.314 208 H ASP 29 H ASP 29 12.340 3.911 -3.415 209 HA ASP 29 HA ASP 29 9.534 3.630 -4.019 210 HB2 ASP 29 HB3 ASP 29 12.020 2.796 -5.546 211 HB3 ASP 29 HB2 ASP 29 10.386 2.705 -6.203 212 H LEU 30 H LEU 30 8.297 1.888 -3.503 213 HA LEU 30 HA LEU 30 9.469 -0.509 -2.401 214 HB2 LEU 30 HB3 LEU 30 7.108 -1.381 -2.493 215 HB3 LEU 30 HB2 LEU 30 7.248 0.177 -1.677 216 HG LEU 30 HG LEU 30 6.879 0.478 -4.553 217 HD11 LEU 30 HD11 LEU 30 5.543 -1.483 -4.530 218 HD12 LEU 30 HD12 LEU 30 4.390 -0.161 -4.346 219 HD13 LEU 30 HD13 LEU 30 4.878 -1.108 -2.940 220 HD21 LEU 30 HD21 LEU 30 5.290 1.394 -2.135 221 HD22 LEU 30 HD22 LEU 30 5.127 2.032 -3.771 222 HD23 LEU 30 HD23 LEU 30 6.626 2.276 -2.875 223 H VAL 31 H VAL 31 9.654 0.505 -5.450 224 HA VAL 31 HA VAL 31 8.642 -1.506 -7.129 225 HB VAL 31 HB VAL 31 9.925 0.627 -7.775 226 HG11 VAL 31 HG11 VAL 31 11.919 -0.060 -6.332 227 HG12 VAL 31 HG12 VAL 31 12.304 0.495 -7.962 228 HG13 VAL 31 HG13 VAL 31 12.307 -1.230 -7.594 229 HG21 VAL 31 HG21 VAL 31 10.193 -2.077 -9.051 230 HG22 VAL 31 HG22 VAL 31 11.049 -0.709 -9.762 231 HG23 VAL 31 HG23 VAL 31 9.293 -0.666 -9.608 232 H ASP 32 H ASP 32 11.614 -1.488 -5.197 233 HA ASP 32 HA ASP 32 12.697 -3.952 -6.127 234 HB2 ASP 32 HB3 ASP 32 13.835 -2.303 -4.569 235 HB3 ASP 32 HB2 ASP 32 12.819 -2.933 -3.273 236 H ASN 33 H ASN 33 10.249 -3.200 -3.711 237 HA ASN 33 HA ASN 33 9.841 -6.040 -3.054 238 HB2 ASN 33 HB3 ASN 33 8.316 -3.578 -2.177 239 HB3 ASN 33 HB2 ASN 33 8.138 -5.194 -1.499 240 HD21 ASN 33 HD22 ASN 33 9.982 -2.277 -1.332 241 HD22 ASN 33 HD21 ASN 33 11.157 -2.826 -0.238 242 H GLY 34 H GLY 34 9.270 -4.534 -5.724 243 HA2 GLY 34 HA3 GLY 34 6.608 -4.304 -6.371 244 HA3 GLY 34 HA2 GLY 34 7.778 -5.011 -7.484 245 H VAL 35 H VAL 35 8.127 -7.159 -5.208 246 HA VAL 35 HA VAL 35 6.641 -9.218 -6.405 247 HB VAL 35 HB VAL 35 8.454 -9.362 -4.561 248 HG11 VAL 35 HG11 VAL 35 6.049 -9.432 -2.755 249 HG12 VAL 35 HG12 VAL 35 6.911 -7.924 -3.049 250 HG13 VAL 35 HG13 VAL 35 7.751 -9.291 -2.316 251 HG21 VAL 35 HG21 VAL 35 5.976 -11.109 -4.382 252 HG22 VAL 35 HG22 VAL 35 7.590 -11.548 -3.823 253 HG23 VAL 35 HG23 VAL 35 7.285 -11.320 -5.545 254 H ILE 36 H ILE 36 5.683 -6.844 -4.015 255 HA ILE 36 HA ILE 36 3.151 -8.050 -3.326 256 HB ILE 36 HB ILE 36 4.489 -6.162 -2.113 257 HG12 ILE 36 HG13 ILE 36 1.493 -5.875 -2.523 258 HG13 ILE 36 HG12 ILE 36 2.251 -7.035 -1.435 259 HG21 ILE 36 HG21 ILE 36 4.096 -3.946 -2.819 260 HG22 ILE 36 HG22 ILE 36 2.719 -4.414 -3.818 261 HG23 ILE 36 HG23 ILE 36 4.359 -4.804 -4.338 262 HD11 ILE 36 HD11 ILE 36 3.084 -5.336 -0.011 263 HD12 ILE 36 HD12 ILE 36 1.444 -4.819 -0.400 264 HD13 ILE 36 HD13 ILE 36 2.817 -4.077 -1.217 265 H ASP 37 H ASP 37 4.273 -6.080 -5.956 266 HA ASP 37 HA ASP 37 1.899 -4.821 -6.778 267 HB2 ASP 37 HB3 ASP 37 4.171 -5.896 -8.459 268 HB3 ASP 37 HB2 ASP 37 2.915 -4.815 -9.059 269 H SER 38 H SER 38 2.896 -8.184 -7.369 270 HA SER 38 HA SER 38 0.333 -8.540 -8.869 271 HB2 SER 38 2HB SER 38 2.882 -10.157 -8.998 272 HB3 SER 38 1HB SER 38 1.407 -10.529 -9.884 273 H LEU 39 H LEU 39 2.496 -10.668 -6.964 274 HA LEU 39 HA LEU 39 0.379 -12.436 -6.248 275 HB2 LEU 39 HB3 LEU 39 2.819 -12.999 -6.168 276 HB3 LEU 39 HB2 LEU 39 2.953 -11.980 -4.739 277 HG LEU 39 HG LEU 39 0.782 -13.981 -4.636 278 HD11 LEU 39 HD11 LEU 39 3.708 -14.754 -4.709 279 HD12 LEU 39 HD12 LEU 39 2.406 -15.388 -5.715 280 HD13 LEU 39 HD13 LEU 39 2.459 -15.774 -3.995 281 HD21 LEU 39 HD21 LEU 39 3.002 -13.607 -2.644 282 HD22 LEU 39 HD22 LEU 39 1.304 -13.987 -2.356 283 HD23 LEU 39 HD23 LEU 39 1.776 -12.352 -2.817 284 H GLY 40 H GLY 40 1.996 -9.918 -4.317 285 HA2 GLY 40 HA3 GLY 40 0.163 -10.195 -2.105 286 HA3 GLY 40 HA2 GLY 40 1.283 -8.861 -2.349 287 H LEU 41 H LEU 41 0.336 -8.023 -4.907 288 HA LEU 41 HA LEU 41 -1.743 -6.244 -4.148 289 HB2 LEU 41 HB3 LEU 41 -0.213 -5.958 -6.128 290 HB3 LEU 41 HB2 LEU 41 -1.141 -7.206 -6.957 291 HG LEU 41 HG LEU 41 -3.189 -5.672 -6.295 292 HD11 LEU 41 HD11 LEU 41 -1.758 -4.121 -4.956 293 HD12 LEU 41 HD12 LEU 41 -2.615 -3.303 -6.261 294 HD13 LEU 41 HD13 LEU 41 -0.903 -3.687 -6.436 295 HD21 LEU 41 HD21 LEU 41 -2.483 -6.216 -8.596 296 HD22 LEU 41 HD22 LEU 41 -1.233 -4.975 -8.508 297 HD23 LEU 41 HD23 LEU 41 -2.936 -4.517 -8.467 298 H LEU 42 H LEU 42 -1.872 -9.370 -5.820 299 HA LEU 42 HA LEU 42 -4.675 -9.323 -6.380 300 HB2 LEU 42 HB3 LEU 42 -3.020 -10.968 -7.331 301 HB3 LEU 42 HB2 LEU 42 -2.988 -11.762 -5.764 302 HG LEU 42 HG LEU 42 -5.592 -11.826 -6.029 303 HD11 LEU 42 HD11 LEU 42 -5.092 -12.119 -8.920 304 HD12 LEU 42 HD12 LEU 42 -5.002 -10.464 -8.322 305 HD13 LEU 42 HD13 LEU 42 -6.472 -11.408 -8.083 306 HD21 LEU 42 HD21 LEU 42 -3.701 -13.570 -7.640 307 HD22 LEU 42 HD22 LEU 42 -5.373 -13.989 -7.267 308 HD23 LEU 42 HD23 LEU 42 -4.193 -13.828 -5.966 309 H LYS 43 H LYS 43 -2.857 -10.568 -3.575 310 HA LYS 43 HA LYS 43 -5.177 -11.512 -2.168 311 HB2 LYS 43 HB3 LYS 43 -2.452 -10.668 -1.170 312 HB3 LYS 43 HB2 LYS 43 -3.661 -11.489 -0.189 313 HG2 LYS 43 HG3 LYS 43 -3.670 -13.363 -1.841 314 HG3 LYS 43 HG2 LYS 43 -2.361 -12.558 -2.709 315 HD2 LYS 43 HD3 LYS 43 -0.990 -12.628 -0.620 316 HD3 LYS 43 HD2 LYS 43 -2.278 -13.552 0.154 317 HE2 LYS 43 HE3 LYS 43 -1.032 -14.454 -2.443 318 HE3 LYS 43 HE2 LYS 43 -0.339 -14.896 -0.882 319 HZ1 LYS 43 HZ1 LYS 43 -2.823 -15.541 -0.402 320 HZ2 LYS 43 HZ2 LYS 43 -1.769 -16.618 -1.181 321 HZ3 LYS 43 HZ3 LYS 43 -2.876 -15.707 -2.093 322 H VAL 44 H VAL 44 -3.379 -8.447 -2.093 323 HA VAL 44 HA VAL 44 -4.915 -7.275 0.035 324 HB VAL 44 HB VAL 44 -3.304 -5.999 -2.190 325 HG11 VAL 44 HG11 VAL 44 -4.536 -4.837 0.323 326 HG12 VAL 44 HG12 VAL 44 -4.883 -4.371 -1.342 327 HG13 VAL 44 HG13 VAL 44 -3.306 -4.015 -0.637 328 HG21 VAL 44 HG21 VAL 44 -2.476 -7.537 -0.048 329 HG22 VAL 44 HG22 VAL 44 -2.356 -5.897 0.590 330 HG23 VAL 44 HG23 VAL 44 -1.483 -6.338 -0.877 331 H ILE 45 H ILE 45 -5.240 -7.140 -3.508 332 HA ILE 45 HA ILE 45 -7.363 -5.248 -3.565 333 HB ILE 45 HB ILE 45 -6.207 -7.248 -5.412 334 HG12 ILE 45 HG13 ILE 45 -6.151 -5.371 -6.897 335 HG13 ILE 45 HG12 ILE 45 -7.355 -4.500 -5.950 336 HG21 ILE 45 HG21 ILE 45 -8.156 -6.892 -7.011 337 HG22 ILE 45 HG22 ILE 45 -9.084 -6.331 -5.623 338 HG23 ILE 45 HG23 ILE 45 -8.470 -7.985 -5.665 339 HD11 ILE 45 HD11 ILE 45 -5.824 -3.815 -4.391 340 HD12 ILE 45 HD12 ILE 45 -4.695 -4.064 -5.719 341 HD13 ILE 45 HD13 ILE 45 -4.899 -5.313 -4.494 342 H ALA 46 H ALA 46 -7.454 -8.816 -3.390 343 HA ALA 46 HA ALA 46 -10.305 -9.015 -3.428 344 HB1 ALA 46 HB1 ALA 46 -9.192 -11.044 -3.787 345 HB2 ALA 46 HB2 ALA 46 -9.759 -11.219 -2.126 346 HB3 ALA 46 HB3 ALA 46 -8.080 -10.780 -2.443 347 H TRP 47 H TRP 47 -8.011 -8.817 -0.697 348 HA TRP 47 HA TRP 47 -10.162 -8.833 1.269 349 HB2 TRP 47 HB3 TRP 47 -8.266 -9.695 2.226 350 HB3 TRP 47 HB2 TRP 47 -7.196 -8.629 1.316 351 HD1 TRP 47 HD1 TRP 47 -10.112 -7.787 3.731 352 HE1 TRP 47 HE1 TRP 47 -9.207 -6.144 5.504 353 HE3 TRP 47 HE3 TRP 47 -5.246 -7.549 2.282 354 HZ2 TRP 47 HZ2 TRP 47 -6.725 -4.894 6.212 355 HZ3 TRP 47 HZ3 TRP 47 -3.619 -6.132 3.512 356 HH2 TRP 47 HH2 TRP 47 -4.355 -4.805 5.475 357 H LEU 48 H LEU 48 -7.876 -6.362 0.102 358 HA LEU 48 HA LEU 48 -8.820 -4.216 1.672 359 HB2 LEU 48 HB3 LEU 48 -6.746 -4.257 0.228 360 HB3 LEU 48 HB2 LEU 48 -7.789 -3.999 -1.162 361 HG LEU 48 HG LEU 48 -8.711 -2.003 0.275 362 HD11 LEU 48 HD11 LEU 48 -6.965 -2.962 2.088 363 HD12 LEU 48 HD12 LEU 48 -7.398 -1.255 1.997 364 HD13 LEU 48 HD13 LEU 48 -5.911 -1.830 1.244 365 HD21 LEU 48 HD21 LEU 48 -6.469 -0.754 -0.590 366 HD22 LEU 48 HD22 LEU 48 -7.757 -1.267 -1.681 367 HD23 LEU 48 HD23 LEU 48 -6.323 -2.273 -1.474 368 H GLU 49 H GLU 49 -9.901 -5.260 -1.577 369 HA GLU 49 HA GLU 49 -11.790 -3.143 -1.924 370 HB2 GLU 49 HB3 GLU 49 -11.678 -5.947 -3.054 371 HB3 GLU 49 HB2 GLU 49 -12.839 -4.736 -3.570 372 HG2 GLU 49 HG3 GLU 49 -9.842 -4.381 -3.669 373 HG3 GLU 49 HG2 GLU 49 -10.848 -4.801 -5.047 374 H ASP 50 H ASP 50 -12.039 -6.365 -0.472 375 HA ASP 50 HA ASP 50 -14.870 -6.269 0.012 376 HB2 ASP 50 HB3 ASP 50 -13.418 -8.333 0.064 377 HB3 ASP 50 HB2 ASP 50 -12.797 -7.767 1.613 378 H ARG 51 H ARG 51 -12.050 -5.339 1.938 379 HA ARG 51 HA ARG 51 -13.377 -4.787 4.377 380 HB2 ARG 51 HB3 ARG 51 -10.904 -4.856 4.081 381 HB3 ARG 51 HB2 ARG 51 -10.992 -3.317 3.223 382 HG2 ARG 51 HG3 ARG 51 -12.024 -2.278 5.228 383 HG3 ARG 51 HG2 ARG 51 -11.863 -3.811 6.086 384 HD2 ARG 51 HD3 ARG 51 -9.396 -3.724 5.689 385 HD3 ARG 51 HD2 ARG 51 -9.603 -2.129 4.966 386 HE ARG 51 HE ARG 51 -10.811 -2.058 7.529 387 HH11 ARG 51 HH22 ARG 51 -7.737 -2.490 6.028 388 HH12 ARG 51 HH21 ARG 51 -6.847 -1.817 7.353 389 HH21 ARG 51 HH11 ARG 51 -9.666 -1.176 9.267 390 HH22 ARG 51 HH12 ARG 51 -7.939 -1.073 9.187 391 H PHE 52 H PHE 52 -12.871 -2.672 1.541 392 HA PHE 52 HA PHE 52 -14.516 -0.599 2.900 393 HB2 PHE 52 HB3 PHE 52 -12.689 -0.510 0.491 394 HB3 PHE 52 HB2 PHE 52 -13.699 0.842 0.994 395 HD1 PHE 52 HD2 PHE 52 -13.337 1.937 3.195 396 HD2 PHE 52 HD1 PHE 52 -10.718 -1.135 1.729 397 HE1 PHE 52 HE2 PHE 52 -11.636 2.583 4.879 398 HE2 PHE 52 HE1 PHE 52 -9.017 -0.489 3.415 399 HZ PHE 52 HZ PHE 52 -9.476 1.370 4.989 400 H GLY 53 H GLY 53 -14.976 -3.161 0.831 401 HA2 GLY 53 HA3 GLY 53 -16.805 -3.730 -0.535 402 HA3 GLY 53 HA2 GLY 53 -17.626 -2.306 0.110 403 H ILE 54 H ILE 54 -14.526 -2.298 -1.582 404 HA ILE 54 HA ILE 54 -15.718 -0.447 -3.581 405 HB ILE 54 HB ILE 54 -12.817 -1.135 -3.021 406 HG12 ILE 54 HG13 ILE 54 -14.313 1.397 -2.308 407 HG13 ILE 54 HG12 ILE 54 -14.137 0.052 -1.181 408 HG21 ILE 54 HG21 ILE 54 -12.921 1.339 -4.231 409 HG22 ILE 54 HG22 ILE 54 -14.197 0.460 -5.072 410 HG23 ILE 54 HG23 ILE 54 -12.551 -0.173 -5.060 411 HD11 ILE 54 HD11 ILE 54 -11.649 0.189 -1.502 412 HD12 ILE 54 HD12 ILE 54 -12.344 1.630 -0.758 413 HD13 ILE 54 HD13 ILE 54 -11.902 1.645 -2.466 414 H ALA 55 H ALA 55 -15.626 -0.903 -5.808 415 HA ALA 55 HA ALA 55 -15.586 -3.695 -6.548 416 HB1 ALA 55 HB1 ALA 55 -16.362 -1.209 -7.750 417 HB2 ALA 55 HB2 ALA 55 -16.759 -2.846 -8.271 418 HB3 ALA 55 HB3 ALA 55 -15.296 -2.062 -8.866 419 H ALA 56 H ALA 56 -13.923 -4.885 -7.444 420 HA ALA 56 HA ALA 56 -11.223 -3.958 -7.148 421 HB1 ALA 56 HB1 ALA 56 -12.215 -6.398 -7.268 422 HB2 ALA 56 HB2 ALA 56 -10.581 -6.083 -7.854 423 HB3 ALA 56 HB3 ALA 56 -11.918 -6.217 -8.997 424 H ASP 57 H ASP 57 -13.450 -4.035 -9.880 425 HA ASP 57 HA ASP 57 -11.326 -3.112 -11.717 426 HB2 ASP 57 HB3 ASP 57 -14.248 -3.747 -12.148 427 HB3 ASP 57 HB2 ASP 57 -13.159 -3.207 -13.423 428 H ASP 58 H ASP 58 -13.082 -1.619 -9.427 429 HA ASP 58 HA ASP 58 -14.372 0.559 -10.675 430 HB2 ASP 58 HB3 ASP 58 -14.381 0.013 -8.207 431 HB3 ASP 58 HB2 ASP 58 -12.774 0.729 -8.119 432 H VAL 59 H VAL 59 -10.951 0.090 -9.893 433 HA VAL 59 HA VAL 59 -10.336 2.421 -11.659 434 HB VAL 59 HB VAL 59 -8.516 3.070 -10.149 435 HG11 VAL 59 HG11 VAL 59 -11.132 3.592 -9.766 436 HG12 VAL 59 HG12 VAL 59 -9.876 4.223 -8.701 437 HG13 VAL 59 HG13 VAL 59 -10.782 2.782 -8.239 438 HG21 VAL 59 HG21 VAL 59 -9.154 0.456 -8.988 439 HG22 VAL 59 HG22 VAL 59 -9.018 1.726 -7.771 440 HG23 VAL 59 HG23 VAL 59 -7.672 1.404 -8.865 441 H GLU 60 H GLU 60 -8.164 2.270 -12.645 442 HA GLU 60 HA GLU 60 -7.425 -0.573 -13.100 443 HB2 GLU 60 HB3 GLU 60 -7.872 0.891 -15.071 444 HB3 GLU 60 HB2 GLU 60 -6.518 1.906 -14.587 445 HG2 GLU 60 HG3 GLU 60 -5.022 -0.056 -14.739 446 HG3 GLU 60 HG2 GLU 60 -6.379 -1.026 -15.296 447 H LEU 61 H LEU 61 -5.427 -1.369 -12.508 448 HA LEU 61 HA LEU 61 -3.694 0.481 -10.947 449 HB2 LEU 61 HB3 LEU 61 -3.661 -2.548 -10.965 450 HB3 LEU 61 HB2 LEU 61 -2.876 -1.480 -9.804 451 HG LEU 61 HG LEU 61 -5.846 -1.831 -10.218 452 HD11 LEU 61 HD11 LEU 61 -3.921 -2.508 -7.992 453 HD12 LEU 61 HD12 LEU 61 -4.992 -3.600 -8.869 454 HD13 LEU 61 HD13 LEU 61 -5.663 -2.425 -7.737 455 HD21 LEU 61 HD21 LEU 61 -4.240 0.219 -8.710 456 HD22 LEU 61 HD22 LEU 61 -5.845 -0.243 -8.144 457 HD23 LEU 61 HD23 LEU 61 -5.645 0.461 -9.749 458 H SER 62 H SER 62 -1.590 0.835 -11.585 459 HA SER 62 HA SER 62 -0.534 -0.790 -13.847 460 HB2 SER 62 HB3 SER 62 0.599 1.657 -14.264 461 HB3 SER 62 HB2 SER 62 -0.857 1.097 -15.080 462 HG SER 62 HG SER 62 -0.590 3.149 -13.441 463 HA PRO 63 HA PRO 63 3.142 -1.259 -11.469 464 HB2 PRO 63 HB2 PRO 63 5.092 -0.763 -13.394 465 HB3 PRO 63 HB3 PRO 63 4.261 -2.310 -13.162 466 HG2 PRO 63 HG3 PRO 63 3.780 -0.185 -15.171 467 HG3 PRO 63 HG2 PRO 63 3.624 -1.943 -15.320 468 HD2 PRO 63 HD3 PRO 63 1.467 -0.300 -15.063 469 HD3 PRO 63 HD2 PRO 63 1.481 -1.964 -14.440 470 H GLU 64 H GLU 64 2.980 1.635 -13.490 471 HA GLU 64 HA GLU 64 5.077 3.091 -12.187 472 HB2 GLU 64 HB3 GLU 64 2.624 4.068 -13.653 473 HB3 GLU 64 HB2 GLU 64 3.967 5.094 -13.173 474 HG2 GLU 64 HG3 GLU 64 5.494 3.671 -14.506 475 HG3 GLU 64 HG2 GLU 64 4.111 2.719 -15.035 476 H HIS 65 H HIS 65 1.735 2.486 -11.429 477 HA HIS 65 HA HIS 65 1.364 4.595 -9.509 478 HB2 HIS 65 HB3 HIS 65 -0.472 3.277 -10.594 479 HB3 HIS 65 HB2 HIS 65 0.002 1.889 -9.617 480 HD1 HIS 65 HD1 HIS 65 -0.319 2.111 -6.998 481 HD2 HIS 65 HD2 HIS 65 -1.968 5.225 -9.230 482 HE1 HIS 65 HE1 HIS 65 -1.891 3.354 -5.445 483 HE2 HIS 65 HE2 HIS 65 -2.897 5.252 -6.793 484 H PHE 66 H PHE 66 2.878 1.442 -9.326 485 HA PHE 66 HA PHE 66 2.936 1.581 -6.362 486 HB2 PHE 66 HB3 PHE 66 3.895 -0.582 -8.256 487 HB3 PHE 66 HB2 PHE 66 3.828 -0.711 -6.499 488 HD1 PHE 66 HD2 PHE 66 1.629 -0.677 -5.318 489 HD2 PHE 66 HD1 PHE 66 1.918 -0.762 -9.602 490 HE1 PHE 66 HE2 PHE 66 -0.754 -1.349 -5.466 491 HE2 PHE 66 HE1 PHE 66 -0.464 -1.432 -9.751 492 HZ PHE 66 HZ PHE 66 -1.799 -1.724 -7.684 493 H ARG 67 H ARG 67 4.752 3.004 -8.644 494 HA ARG 67 HA ARG 67 7.415 2.166 -8.119 495 HB2 ARG 67 HB3 ARG 67 6.287 4.844 -8.950 496 HB3 ARG 67 HB2 ARG 67 8.018 4.544 -8.810 497 HG2 ARG 67 HG3 ARG 67 6.363 2.619 -10.381 498 HG3 ARG 67 HG2 ARG 67 6.776 4.168 -11.116 499 HD2 ARG 67 HD3 ARG 67 8.829 2.332 -9.856 500 HD3 ARG 67 HD2 ARG 67 8.430 2.300 -11.573 501 HE ARG 67 HE ARG 67 9.950 4.398 -10.192 502 HH11 ARG 67 HH22 ARG 67 8.062 3.426 -12.908 503 HH12 ARG 67 HH21 ARG 67 8.717 4.633 -13.963 504 HH21 ARG 67 HH11 ARG 67 10.816 5.980 -11.554 505 HH22 ARG 67 HH12 ARG 67 10.276 6.079 -13.197 506 H SER 68 H SER 68 5.402 4.551 -6.398 507 HA SER 68 HA SER 68 7.333 4.333 -4.142 508 HB2 SER 68 HB3 SER 68 7.410 6.736 -3.832 509 HB3 SER 68 HB2 SER 68 7.884 6.374 -5.489 510 HG SER 68 HG SER 68 5.803 7.825 -4.568 511 H ILE 69 H ILE 69 6.402 4.793 -2.076 512 HA ILE 69 HA ILE 69 3.646 4.067 -1.797 513 HB ILE 69 HB ILE 69 5.529 5.378 0.185 514 HG12 ILE 69 HG13 ILE 69 4.819 2.464 -0.172 515 HG13 ILE 69 HG12 ILE 69 6.284 3.197 -0.809 516 HG21 ILE 69 HG21 ILE 69 2.970 3.822 0.560 517 HG22 ILE 69 HG22 ILE 69 3.179 5.549 0.847 518 HG23 ILE 69 HG23 ILE 69 4.023 4.377 1.857 519 HD11 ILE 69 HD11 ILE 69 7.026 3.801 1.418 520 HD12 ILE 69 HD12 ILE 69 6.615 2.085 1.417 521 HD13 ILE 69 HD13 ILE 69 5.498 3.260 2.112 522 H ARG 70 H ARG 70 5.344 7.181 -1.777 523 HA ARG 70 HA ARG 70 3.190 8.788 -0.840 524 HB2 ARG 70 HB3 ARG 70 5.430 9.472 -2.767 525 HB3 ARG 70 HB2 ARG 70 4.372 10.657 -1.998 526 HG2 ARG 70 HG3 ARG 70 5.103 9.797 0.233 527 HG3 ARG 70 HG2 ARG 70 6.244 8.732 -0.590 528 HD2 ARG 70 HD3 ARG 70 6.205 11.761 -0.729 529 HD3 ARG 70 HD2 ARG 70 7.394 10.772 0.119 530 HE ARG 70 HE ARG 70 7.525 9.843 -2.479 531 HH11 ARG 70 HH22 ARG 70 7.666 12.922 -0.935 532 HH12 ARG 70 HH21 ARG 70 8.720 13.617 -2.121 533 HH21 ARG 70 HH11 ARG 70 8.900 10.733 -4.037 534 HH22 ARG 70 HH12 ARG 70 9.418 12.378 -3.877 535 H SER 71 H SER 71 4.014 7.702 -4.132 536 HA SER 71 HA SER 71 2.060 9.263 -5.502 537 HB2 SER 71 HB3 SER 71 3.903 7.923 -6.585 538 HB3 SER 71 HB2 SER 71 2.974 6.468 -6.239 539 HG SER 71 HG SER 71 1.784 8.651 -7.561 540 H ILE 72 H ILE 72 1.865 6.006 -4.075 541 HA ILE 72 HA ILE 72 -0.823 5.458 -4.829 542 HB ILE 72 HB ILE 72 0.706 4.523 -2.382 543 HG12 ILE 72 HG13 ILE 72 0.426 3.235 -5.117 544 HG13 ILE 72 HG12 ILE 72 1.859 4.106 -4.570 545 HG21 ILE 72 HG21 ILE 72 -1.164 3.391 -1.882 546 HG22 ILE 72 HG22 ILE 72 -1.080 2.583 -3.447 547 HG23 ILE 72 HG23 ILE 72 -1.975 4.093 -3.280 548 HD11 ILE 72 HD11 ILE 72 2.205 1.727 -4.197 549 HD12 ILE 72 HD12 ILE 72 0.678 1.608 -3.323 550 HD13 ILE 72 HD13 ILE 72 2.019 2.524 -2.635 551 H ASP 73 H ASP 73 0.578 7.099 -2.018 552 HA ASP 73 HA ASP 73 -1.740 7.335 -0.429 553 HB2 ASP 73 HB3 ASP 73 0.571 9.262 -0.798 554 HB3 ASP 73 HB2 ASP 73 -0.622 9.375 0.493 555 H ALA 74 H ALA 74 -0.627 9.331 -3.153 556 HA ALA 74 HA ALA 74 -2.637 11.352 -2.867 557 HB1 ALA 74 HB1 ALA 74 -1.246 10.451 -5.405 558 HB2 ALA 74 HB2 ALA 74 -0.580 11.610 -4.254 559 HB3 ALA 74 HB3 ALA 74 -2.051 11.999 -5.147 560 H PHE 75 H PHE 75 -2.548 8.373 -4.835 561 HA PHE 75 HA PHE 75 -5.110 8.810 -6.047 562 HB2 PHE 75 HB3 PHE 75 -3.534 6.280 -5.514 563 HB3 PHE 75 HB2 PHE 75 -5.037 6.311 -6.431 564 HD1 PHE 75 HD2 PHE 75 -5.179 7.909 -8.452 565 HD2 PHE 75 HD1 PHE 75 -1.487 6.792 -6.565 566 HE1 PHE 75 HE2 PHE 75 -3.932 8.612 -10.477 567 HE2 PHE 75 HE1 PHE 75 -0.238 7.499 -8.588 568 HZ PHE 75 HZ PHE 75 -1.461 8.408 -10.545 569 H VAL 76 H VAL 76 -4.135 6.943 -3.159 570 HA VAL 76 HA VAL 76 -6.789 6.104 -2.489 571 HB VAL 76 HB VAL 76 -4.285 6.461 -0.822 572 HG11 VAL 76 HG11 VAL 76 -7.038 5.470 -0.131 573 HG12 VAL 76 HG12 VAL 76 -5.996 6.564 0.778 574 HG13 VAL 76 HG13 VAL 76 -5.623 4.842 0.712 575 HG21 VAL 76 HG21 VAL 76 -3.811 4.275 -1.339 576 HG22 VAL 76 HG22 VAL 76 -4.767 4.648 -2.774 577 HG23 VAL 76 HG23 VAL 76 -5.513 3.816 -1.409 578 H VAL 77 H VAL 77 -4.806 8.888 -1.435 579 HA VAL 77 HA VAL 77 -6.704 9.951 0.404 580 HB VAL 77 HB VAL 77 -4.533 11.246 -1.261 581 HG11 VAL 77 HG11 VAL 77 -5.934 13.063 -0.829 582 HG12 VAL 77 HG12 VAL 77 -4.870 13.077 0.577 583 HG13 VAL 77 HG13 VAL 77 -6.491 12.395 0.704 584 HG21 VAL 77 HG21 VAL 77 -4.416 9.590 0.960 585 HG22 VAL 77 HG22 VAL 77 -4.342 11.203 1.668 586 HG23 VAL 77 HG23 VAL 77 -3.153 10.715 0.461 587 H GLY 78 H GLY 78 -6.282 10.370 -3.087 588 HA2 GLY 78 HA3 GLY 78 -8.121 12.481 -3.490 589 HA3 GLY 78 HA2 GLY 78 -7.742 11.250 -4.694 590 H ALA 79 H ALA 79 -8.682 9.016 -3.010 591 HA ALA 79 HA ALA 79 -11.599 9.490 -3.391 592 HB1 ALA 79 HB1 ALA 79 -10.079 7.487 -4.388 593 HB2 ALA 79 HB2 ALA 79 -11.798 7.308 -4.038 594 HB3 ALA 79 HB3 ALA 79 -10.599 6.749 -2.873 595 H THR 80 H THR 80 -9.380 7.855 -1.111 596 HA THR 80 HA THR 80 -10.914 8.864 1.155 597 HB THR 80 HB THR 80 -12.236 6.858 0.304 598 HG1 THR 80 HG1 THR 80 -11.245 7.314 2.835 599 HG21 THR 80 HG21 THR 80 -9.774 5.685 0.079 600 HG22 THR 80 HG22 THR 80 -11.296 4.797 0.153 601 HG23 THR 80 HG23 THR 80 -10.336 5.025 1.615 602 H THR 81 H THR 81 -9.760 8.578 3.135 603 HA THR 81 HA THR 81 -7.104 7.242 2.881 604 HB THR 81 HB THR 81 -6.652 9.590 2.672 605 HG1 THR 81 HG1 THR 81 -5.939 9.853 5.119 606 HG21 THR 81 HG21 THR 81 -8.970 9.807 4.349 607 HG22 THR 81 HG22 THR 81 -8.138 11.079 3.455 608 HG23 THR 81 HG23 THR 81 -7.637 10.685 5.100 609 HA PRO 82 HA PRO 82 -9.062 5.837 6.779 610 HB2 PRO 82 HB2 PRO 82 -9.039 3.201 6.290 611 HB3 PRO 82 HB3 PRO 82 -10.233 4.268 5.525 612 HG2 PRO 82 HG3 PRO 82 -7.837 2.982 4.365 613 HG3 PRO 82 HG2 PRO 82 -9.366 3.432 3.595 614 HD2 PRO 82 HD3 PRO 82 -6.912 4.906 3.545 615 HD3 PRO 82 HD2 PRO 82 -8.484 5.415 2.893 616 HA PRO 83 HA PRO 83 -4.755 4.908 8.083 617 HB2 PRO 83 HB2 PRO 83 -4.937 5.952 10.589 618 HB3 PRO 83 HB3 PRO 83 -4.662 6.949 9.149 619 HG2 PRO 83 HG3 PRO 83 -7.132 6.555 10.732 620 HG3 PRO 83 HG2 PRO 83 -6.559 7.986 9.861 621 HD2 PRO 83 HD3 PRO 83 -8.514 6.211 8.940 622 HD3 PRO 83 HD2 PRO 83 -7.619 7.367 7.930 623 H VAL 84 H VAL 84 -4.139 2.958 8.938 624 HA VAL 84 HA VAL 84 -5.904 1.712 11.011 625 HB VAL 84 HB VAL 84 -4.454 0.243 8.790 626 HG11 VAL 84 HG11 VAL 84 -5.603 -1.700 9.584 627 HG12 VAL 84 HG12 VAL 84 -6.628 -0.740 10.650 628 HG13 VAL 84 HG13 VAL 84 -4.913 -0.928 11.012 629 HG21 VAL 84 HG21 VAL 84 -6.770 -0.130 7.899 630 HG22 VAL 84 HG22 VAL 84 -6.266 1.559 7.832 631 HG23 VAL 84 HG23 VAL 84 -7.371 1.018 9.095 632 H GLU 85 H GLU 85 -4.808 1.023 12.803 633 HA GLU 85 HA GLU 85 -2.024 1.644 13.133 634 HB2 GLU 85 HB3 GLU 85 -3.861 -0.129 14.771 635 HB3 GLU 85 HB2 GLU 85 -2.251 0.384 15.279 636 HG2 GLU 85 HG3 GLU 85 -2.967 2.755 15.080 637 HG3 GLU 85 HG2 GLU 85 -4.589 2.211 14.651 638 H ALA 86 H ALA 86 -3.746 -1.343 12.324 639 HA ALA 86 HA ALA 86 -1.213 -2.498 11.366 640 HB1 ALA 86 HB1 ALA 86 -1.371 -4.517 12.716 641 HB2 ALA 86 HB2 ALA 86 -2.859 -3.938 13.467 642 HB3 ALA 86 HB3 ALA 86 -1.331 -3.119 13.791 643 H LYS 87 H LYS 87 -1.621 -4.516 10.116 644 HA LYS 87 HA LYS 87 -4.125 -4.302 8.625 645 HB2 LYS 87 HB3 LYS 87 -1.838 -6.288 8.439 646 HB3 LYS 87 HB2 LYS 87 -3.194 -6.214 7.314 647 HG2 LYS 87 HG3 LYS 87 -2.588 -3.837 6.817 648 HG3 LYS 87 HG2 LYS 87 -1.162 -4.026 7.837 649 HD2 LYS 87 HD3 LYS 87 -0.439 -5.937 6.389 650 HD3 LYS 87 HD2 LYS 87 -1.803 -5.595 5.323 651 HE2 LYS 87 HE3 LYS 87 0.720 -4.066 5.722 652 HE3 LYS 87 HE2 LYS 87 -0.226 -4.308 4.253 653 HZ1 LYS 87 HZ1 LYS 87 -0.628 -2.112 4.752 654 HZ2 LYS 87 HZ2 LYS 87 -0.641 -2.369 6.428 655 HZ3 LYS 87 HZ3 LYS 87 -1.959 -2.873 5.483 656 H LEU 88 H LEU 88 -5.821 -5.816 8.629 657 HA LEU 88 HA LEU 88 -6.436 -7.130 11.060 658 HB2 LEU 88 HB3 LEU 88 -8.101 -6.536 9.291 659 HB3 LEU 88 HB2 LEU 88 -7.461 -7.844 8.296 660 HG LEU 88 HG LEU 88 -7.972 -9.432 10.190 661 HD11 LEU 88 HD11 LEU 88 -9.036 -6.868 11.332 662 HD12 LEU 88 HD12 LEU 88 -8.162 -8.172 12.136 663 HD13 LEU 88 HD13 LEU 88 -9.860 -8.380 11.711 664 HD21 LEU 88 HD21 LEU 88 -10.642 -8.690 9.836 665 HD22 LEU 88 HD22 LEU 88 -9.718 -9.774 8.797 666 HD23 LEU 88 HD23 LEU 88 -9.826 -8.058 8.406 667 H GLN 89 H GLN 89 -4.852 -8.338 8.127 668 HA GLN 89 HA GLN 89 -3.741 -10.367 7.721 669 HB2 GLN 89 HB3 GLN 89 -3.372 -10.162 10.726 670 HB3 GLN 89 HB2 GLN 89 -2.499 -11.284 9.683 671 HG2 GLN 89 HG3 GLN 89 -1.561 -9.405 8.410 672 HG3 GLN 89 HG2 GLN 89 -2.464 -8.264 9.408 673 HE21 GLN 89 HE22 GLN 89 0.381 -8.144 9.312 674 HE22 GLN 89 HE21 GLN 89 0.998 -8.612 10.823 675 H1 PN7 101 3HO SAT 38 1.639 -5.199 -14.940 676 H2 PN7 101 1H1 SAT 38 1.798 -6.490 -10.569 677 H3 PN7 101 2H1 SAT 38 0.090 -6.819 -10.859 678 H5 PN7 101 3HE1 SAT 38 0.810 -4.482 -9.896 679 H6 PN7 101 1HE1 SAT 38 0.372 -3.234 -11.062 680 H7 PN7 101 2HE1 SAT 38 2.060 -3.710 -10.872 681 H8 PN7 101 2HE2 SAT 38 -0.614 -4.065 -13.084 682 H9 PN7 101 3HE2 SAT 38 -1.280 -5.040 -11.773 683 H10 PN7 101 1HE2 SAT 38 -0.702 -5.819 -13.246 684 H11 PN7 101 3H SAT 38 1.942 -3.898 -13.321 685 H12 PN7 101 5H SAT 38 3.739 -3.515 -11.910 686 H13 PN7 101 2H6 SAT 38 6.070 -3.674 -12.232 687 H14 PN7 101 1H6 SAT 38 5.811 -5.223 -13.034 688 H15 PN7 101 1H7 SAT 38 5.509 -4.941 -10.045 689 H16 PN7 101 2H7 SAT 38 7.085 -5.239 -10.779 690 H17 PN7 101 9H SAT 38 3.801 -7.012 -10.395 691 H18 PN7 101 2H10 SAT 38 4.216 -8.367 -8.500 692 H19 PN7 101 1H10 SAT 38 5.938 -8.032 -8.688 693 H20 PN7 101 1H11 SAT 38 4.482 -9.839 -10.616 694 H21 PN7 101 2H11 SAT 38 5.146 -10.459 -9.105 695 H22 PN7 101 2HS1 SAT 38 7.524 -9.546 -9.934 Start of MODEL 8 1 H1 MET 1 H1 MET 1 4.850 12.725 2.688 2 H2 MET 1 H2 MET 1 4.857 14.026 3.781 3 H3 MET 1 H3 MET 1 5.369 14.257 2.177 4 HA MET 1 HA MET 1 3.273 15.094 2.000 5 HB2 MET 1 HB3 MET 1 2.820 12.102 1.740 6 HB3 MET 1 HB2 MET 1 1.821 13.366 1.022 7 HG2 MET 1 HG3 MET 1 3.844 14.175 -0.222 8 HG3 MET 1 HG2 MET 1 4.728 12.782 0.403 9 HE1 MET 1 HE1 MET 1 5.267 11.668 -2.074 10 HE2 MET 1 HE2 MET 1 4.800 13.344 -2.350 11 HE3 MET 1 HE3 MET 1 4.130 12.057 -3.362 12 H GLN 2 H GLN 2 0.882 13.318 2.530 13 HA GLN 2 HA GLN 2 0.563 14.082 5.383 14 HB2 GLN 2 HB3 GLN 2 -1.170 14.769 3.703 15 HB3 GLN 2 HB2 GLN 2 -1.512 13.062 3.417 16 HG2 GLN 2 HG3 GLN 2 -3.129 13.806 5.019 17 HG3 GLN 2 HG2 GLN 2 -1.946 12.855 5.918 18 HE21 GLN 2 HE22 GLN 2 -1.197 13.866 7.781 19 HE22 GLN 2 HE21 GLN 2 -1.156 15.544 8.034 20 H HIS 3 H HIS 3 0.979 12.502 6.859 21 HA HIS 3 HA HIS 3 1.249 10.349 7.768 22 HB2 HIS 3 HB3 HIS 3 -1.074 9.676 5.936 23 HB3 HIS 3 HB2 HIS 3 -0.607 8.827 7.410 24 HD1 HIS 3 HD1 HIS 3 -3.428 9.975 7.285 25 HD2 HIS 3 HD2 HIS 3 -0.173 12.136 8.747 26 HE1 HIS 3 HE1 HIS 3 -4.381 11.780 8.789 27 HE2 HIS 3 HE2 HIS 3 -2.408 13.100 9.683 28 H ALA 4 H ALA 4 2.633 11.095 5.238 29 HA ALA 4 HA ALA 4 2.677 8.926 3.393 30 HB1 ALA 4 HB1 ALA 4 4.210 10.219 2.363 31 HB2 ALA 4 HB2 ALA 4 5.291 10.151 3.755 32 HB3 ALA 4 HB3 ALA 4 4.015 11.366 3.689 33 H SER 5 H SER 5 4.383 9.439 6.454 34 HA SER 5 HA SER 5 6.259 7.320 6.220 35 HB2 SER 5 HB3 SER 5 4.882 8.268 8.748 36 HB3 SER 5 HB2 SER 5 6.415 7.405 8.654 37 HG SER 5 HG SER 5 6.315 9.871 8.774 38 H VAL 6 H VAL 6 2.883 7.303 7.317 39 HA VAL 6 HA VAL 6 2.852 4.581 8.201 40 HB VAL 6 HB VAL 6 0.660 6.362 7.132 41 HG11 VAL 6 HG11 VAL 6 0.547 3.565 8.287 42 HG12 VAL 6 HG12 VAL 6 -0.068 4.107 6.725 43 HG13 VAL 6 HG13 VAL 6 -0.857 4.630 8.212 44 HG21 VAL 6 HG21 VAL 6 0.043 6.567 9.474 45 HG22 VAL 6 HG22 VAL 6 1.755 6.957 9.314 46 HG23 VAL 6 HG23 VAL 6 1.264 5.382 9.937 47 H ILE 7 H ILE 7 2.201 6.072 5.055 48 HA ILE 7 HA ILE 7 1.345 3.736 3.693 49 HB ILE 7 HB ILE 7 2.925 6.089 2.617 50 HG12 ILE 7 HG13 ILE 7 -0.071 5.607 2.701 51 HG13 ILE 7 HG12 ILE 7 0.797 6.644 3.834 52 HG21 ILE 7 HG21 ILE 7 1.904 5.466 0.460 53 HG22 ILE 7 HG22 ILE 7 1.118 4.085 1.224 54 HG23 ILE 7 HG23 ILE 7 2.875 4.136 1.091 55 HD11 ILE 7 HD11 ILE 7 0.727 8.337 2.360 56 HD12 ILE 7 HD12 ILE 7 -0.171 7.312 1.241 57 HD13 ILE 7 HD13 ILE 7 1.591 7.353 1.179 58 H ALA 8 H ALA 8 4.630 5.110 3.998 59 HA ALA 8 HA ALA 8 5.935 3.030 2.527 60 HB1 ALA 8 HB1 ALA 8 7.921 3.818 4.115 61 HB2 ALA 8 HB2 ALA 8 6.799 5.132 4.469 62 HB3 ALA 8 HB3 ALA 8 7.332 4.851 2.812 63 H GLN 9 H GLN 9 5.355 3.449 6.012 64 HA GLN 9 HA GLN 9 6.639 0.976 6.740 65 HB2 GLN 9 HB3 GLN 9 6.193 1.589 8.884 66 HB3 GLN 9 HB2 GLN 9 5.800 3.140 8.152 67 HG2 GLN 9 HG3 GLN 9 3.938 2.659 9.518 68 HG3 GLN 9 HG2 GLN 9 3.411 2.200 7.905 69 HE21 GLN 9 HE22 GLN 9 2.067 0.404 8.302 70 HE22 GLN 9 HE21 GLN 9 2.549 -0.972 9.170 71 H PHE 10 H PHE 10 3.367 1.833 5.794 72 HA PHE 10 HA PHE 10 2.020 -0.504 6.659 73 HB2 PHE 10 HB3 PHE 10 0.951 1.558 5.707 74 HB3 PHE 10 HB2 PHE 10 1.498 1.051 4.111 75 HD1 PHE 10 HD1 PHE 10 0.524 -0.910 3.010 76 HD2 PHE 10 HD2 PHE 10 -0.811 0.374 6.885 77 HE1 PHE 10 HE1 PHE 10 -1.489 -2.342 2.792 78 HE2 PHE 10 HE2 PHE 10 -2.821 -1.059 6.669 79 HZ PHE 10 HZ PHE 10 -3.161 -2.413 4.621 80 H VAL 11 H VAL 11 3.520 0.137 3.470 81 HA VAL 11 HA VAL 11 3.082 -2.591 2.582 82 HB VAL 11 HB VAL 11 3.278 -0.628 1.039 83 HG11 VAL 11 HG11 VAL 11 6.252 -0.852 1.543 84 HG12 VAL 11 HG12 VAL 11 5.244 0.347 2.353 85 HG13 VAL 11 HG13 VAL 11 5.401 0.369 0.597 86 HG21 VAL 11 HG21 VAL 11 3.587 -2.938 0.224 87 HG22 VAL 11 HG22 VAL 11 5.301 -2.855 0.631 88 HG23 VAL 11 HG23 VAL 11 4.645 -1.824 -0.640 89 H VAL 12 H VAL 12 5.964 -0.809 3.709 90 HA VAL 12 HA VAL 12 7.799 -2.967 3.388 91 HB VAL 12 HB VAL 12 7.836 -0.588 5.237 92 HG11 VAL 12 HG11 VAL 12 10.431 -1.275 4.981 93 HG12 VAL 12 HG12 VAL 12 9.701 -2.879 4.898 94 HG13 VAL 12 HG13 VAL 12 9.423 -1.855 6.307 95 HG21 VAL 12 HG21 VAL 12 9.580 0.145 3.532 96 HG22 VAL 12 HG22 VAL 12 7.923 0.076 2.931 97 HG23 VAL 12 HG23 VAL 12 9.057 -1.216 2.540 98 H GLU 13 H GLU 13 5.762 -2.065 6.147 99 HA GLU 13 HA GLU 13 6.911 -3.811 8.063 100 HB2 GLU 13 HB3 GLU 13 5.212 -2.064 8.579 101 HB3 GLU 13 HB2 GLU 13 3.993 -3.072 7.809 102 HG2 GLU 13 HG3 GLU 13 4.559 -4.901 9.421 103 HG3 GLU 13 HG2 GLU 13 5.641 -3.775 10.237 104 H GLU 14 H GLU 14 4.630 -4.436 5.468 105 HA GLU 14 HA GLU 14 3.784 -7.024 6.344 106 HB2 GLU 14 HB3 GLU 14 2.640 -5.668 4.590 107 HB3 GLU 14 HB2 GLU 14 3.985 -6.005 3.501 108 HG2 GLU 14 HG3 GLU 14 3.559 -8.443 3.784 109 HG3 GLU 14 HG2 GLU 14 2.155 -8.055 4.778 110 H PHE 15 H PHE 15 6.588 -5.995 4.422 111 HA PHE 15 HA PHE 15 7.358 -8.873 4.169 112 HB2 PHE 15 HB3 PHE 15 8.567 -6.551 2.663 113 HB3 PHE 15 HB2 PHE 15 8.640 -8.269 2.260 114 HD1 PHE 15 HD2 PHE 15 6.582 -9.469 1.505 115 HD2 PHE 15 HD1 PHE 15 6.655 -5.224 2.133 116 HE1 PHE 15 HE2 PHE 15 4.460 -9.246 0.239 117 HE2 PHE 15 HE1 PHE 15 4.532 -4.996 0.878 118 HZ PHE 15 HZ PHE 15 3.434 -7.009 -0.069 119 H LEU 16 H LEU 16 8.854 -5.680 4.894 120 HA LEU 16 HA LEU 16 10.883 -7.193 6.503 121 HB2 LEU 16 HB3 LEU 16 11.219 -5.215 4.361 122 HB3 LEU 16 HB2 LEU 16 12.137 -4.836 5.819 123 HG LEU 16 HG LEU 16 12.166 -7.552 4.476 124 HD11 LEU 16 HD11 LEU 16 14.320 -6.924 3.540 125 HD12 LEU 16 HD12 LEU 16 14.250 -5.353 4.338 126 HD13 LEU 16 HD13 LEU 16 13.122 -5.732 3.037 127 HD21 LEU 16 HD21 LEU 16 14.480 -6.894 6.046 128 HD22 LEU 16 HD22 LEU 16 13.311 -8.188 6.309 129 HD23 LEU 16 HD23 LEU 16 13.036 -6.596 7.015 130 HA PRO 17 HA PRO 17 9.044 -4.078 9.314 131 HB2 PRO 17 HB2 PRO 17 8.160 -5.874 11.196 132 HB3 PRO 17 HB3 PRO 17 7.204 -5.350 9.802 133 HG2 PRO 17 HG3 PRO 17 8.385 -7.930 10.330 134 HG3 PRO 17 HG2 PRO 17 7.233 -7.460 9.076 135 HD2 PRO 17 HD3 PRO 17 10.125 -7.843 8.845 136 HD3 PRO 17 HD2 PRO 17 8.917 -7.641 7.558 137 H ASP 18 H ASP 18 11.358 -6.641 9.724 138 HA ASP 18 HA ASP 18 12.160 -5.918 12.425 139 HB2 ASP 18 HB3 ASP 18 13.498 -7.561 10.270 140 HB3 ASP 18 HB2 ASP 18 14.137 -7.375 11.899 141 H VAL 19 H VAL 19 12.458 -4.415 9.494 142 HA VAL 19 HA VAL 19 14.992 -3.037 10.285 143 HB VAL 19 HB VAL 19 13.703 -3.183 7.539 144 HG11 VAL 19 HG11 VAL 19 16.195 -2.463 7.020 145 HG12 VAL 19 HG12 VAL 19 16.149 -1.874 8.681 146 HG13 VAL 19 HG13 VAL 19 15.002 -1.253 7.493 147 HG21 VAL 19 HG21 VAL 19 14.560 -5.383 8.281 148 HG22 VAL 19 HG22 VAL 19 16.119 -4.647 8.653 149 HG23 VAL 19 HG23 VAL 19 15.554 -4.720 6.984 150 H ALA 20 H ALA 20 14.888 -0.732 10.416 151 HA ALA 20 HA ALA 20 12.366 0.381 11.091 152 HB1 ALA 20 HB1 ALA 20 14.019 1.723 11.934 153 HB2 ALA 20 HB2 ALA 20 13.767 2.595 10.422 154 HB3 ALA 20 HB3 ALA 20 15.089 1.436 10.562 155 HA PRO 21 HA PRO 21 10.970 0.645 6.785 156 HB2 PRO 21 HB2 PRO 21 8.562 1.962 7.527 157 HB3 PRO 21 HB3 PRO 21 8.778 0.250 7.140 158 HG2 PRO 21 HG3 PRO 21 8.313 1.473 9.689 159 HG3 PRO 21 HG2 PRO 21 8.385 -0.244 9.273 160 HD2 PRO 21 HD3 PRO 21 10.321 1.289 10.714 161 HD3 PRO 21 HD2 PRO 21 10.419 -0.417 10.238 162 H ALA 22 H ALA 22 10.886 3.325 9.080 163 HA ALA 22 HA ALA 22 10.635 5.385 7.050 164 HB1 ALA 22 HB1 ALA 22 11.954 6.366 9.404 165 HB2 ALA 22 HB2 ALA 22 10.669 5.263 9.897 166 HB3 ALA 22 HB3 ALA 22 10.295 6.655 8.880 167 H ASP 23 H ASP 23 13.169 3.377 8.119 168 HA ASP 23 HA ASP 23 15.291 5.250 7.253 169 HB2 ASP 23 HB3 ASP 23 15.401 2.461 8.441 170 HB3 ASP 23 HB2 ASP 23 16.823 3.403 7.990 171 H VAL 24 H VAL 24 13.179 3.355 5.713 172 HA VAL 24 HA VAL 24 15.141 2.207 3.791 173 HB VAL 24 HB VAL 24 12.133 1.826 3.955 174 HG11 VAL 24 HG11 VAL 24 14.079 1.206 1.941 175 HG12 VAL 24 HG12 VAL 24 12.355 0.836 1.948 176 HG13 VAL 24 HG13 VAL 24 13.504 -0.302 2.651 177 HG21 VAL 24 HG21 VAL 24 13.764 0.945 5.850 178 HG22 VAL 24 HG22 VAL 24 14.153 -0.282 4.645 179 HG23 VAL 24 HG23 VAL 24 12.494 -0.099 5.213 180 H ASP 25 H ASP 25 15.248 2.998 1.684 181 HA ASP 25 HA ASP 25 14.307 5.658 1.202 182 HB2 ASP 25 HB3 ASP 25 16.279 4.581 0.066 183 HB3 ASP 25 HB2 ASP 25 15.143 3.614 -0.876 184 H VAL 26 H VAL 26 12.055 5.748 1.469 185 HA VAL 26 HA VAL 26 10.182 3.919 0.339 186 HB VAL 26 HB VAL 26 8.513 5.591 0.797 187 HG11 VAL 26 HG11 VAL 26 10.802 5.891 2.767 188 HG12 VAL 26 HG12 VAL 26 9.606 4.596 2.778 189 HG13 VAL 26 HG13 VAL 26 9.109 6.258 3.097 190 HG21 VAL 26 HG21 VAL 26 9.326 7.948 1.412 191 HG22 VAL 26 HG22 VAL 26 9.389 7.522 -0.298 192 HG23 VAL 26 HG23 VAL 26 10.861 7.495 0.672 193 H ASP 27 H ASP 27 12.379 5.623 -1.344 194 HA ASP 27 HA ASP 27 10.597 6.487 -3.539 195 HB2 ASP 27 HB3 ASP 27 13.610 6.600 -3.203 196 HB3 ASP 27 HB2 ASP 27 12.742 7.219 -4.608 197 H LEU 28 H LEU 28 11.442 3.589 -2.571 198 HA LEU 28 HA LEU 28 12.596 2.500 -5.045 199 HB2 LEU 28 HB3 LEU 28 13.149 1.572 -2.785 200 HB3 LEU 28 HB2 LEU 28 11.478 1.035 -2.642 201 HG LEU 28 HG LEU 28 11.796 -0.244 -4.800 202 HD11 LEU 28 HD11 LEU 28 14.569 -0.630 -4.764 203 HD12 LEU 28 HD12 LEU 28 14.366 1.117 -4.637 204 HD13 LEU 28 HD13 LEU 28 13.650 0.243 -5.990 205 HD21 LEU 28 HD21 LEU 28 13.706 -1.020 -2.576 206 HD22 LEU 28 HD22 LEU 28 12.911 -2.105 -3.718 207 HD23 LEU 28 HD23 LEU 28 11.960 -1.257 -2.499 208 H ASP 29 H ASP 29 11.435 1.632 -6.695 209 HA ASP 29 HA ASP 29 8.588 1.979 -6.782 210 HB2 ASP 29 HB3 ASP 29 8.751 0.643 -8.906 211 HB3 ASP 29 HB2 ASP 29 9.867 2.007 -8.847 212 H LEU 30 H LEU 30 7.090 0.700 -5.832 213 HA LEU 30 HA LEU 30 7.780 -1.719 -4.473 214 HB2 LEU 30 HB3 LEU 30 5.024 -0.832 -5.392 215 HB3 LEU 30 HB2 LEU 30 5.373 -2.006 -4.124 216 HG LEU 30 HG LEU 30 6.077 0.942 -4.092 217 HD11 LEU 30 HD11 LEU 30 3.808 -0.619 -3.187 218 HD12 LEU 30 HD12 LEU 30 4.026 1.131 -3.176 219 HD13 LEU 30 HD13 LEU 30 4.607 0.161 -1.822 220 HD21 LEU 30 HD21 LEU 30 7.855 -0.005 -2.914 221 HD22 LEU 30 HD22 LEU 30 6.896 -1.385 -2.378 222 HD23 LEU 30 HD23 LEU 30 6.666 0.194 -1.626 223 H VAL 31 H VAL 31 7.503 -1.141 -7.749 224 HA VAL 31 HA VAL 31 6.080 -3.300 -8.814 225 HB VAL 31 HB VAL 31 7.346 -1.448 -10.067 226 HG11 VAL 31 HG11 VAL 31 9.629 -1.821 -10.633 227 HG12 VAL 31 HG12 VAL 31 9.594 -3.469 -10.007 228 HG13 VAL 31 HG13 VAL 31 9.535 -2.102 -8.894 229 HG21 VAL 31 HG21 VAL 31 8.096 -3.479 -11.796 230 HG22 VAL 31 HG22 VAL 31 6.479 -2.784 -11.684 231 HG23 VAL 31 HG23 VAL 31 6.871 -4.254 -10.792 232 H ASP 32 H ASP 32 9.355 -3.273 -7.454 233 HA ASP 32 HA ASP 32 10.072 -5.947 -8.125 234 HB2 ASP 32 HB3 ASP 32 10.786 -4.279 -5.690 235 HB3 ASP 32 HB2 ASP 32 11.554 -5.814 -6.096 236 H ASN 33 H ASN 33 8.174 -4.581 -5.497 237 HA ASN 33 HA ASN 33 7.653 -7.236 -4.332 238 HB2 ASN 33 HB3 ASN 33 6.581 -4.509 -3.580 239 HB3 ASN 33 HB2 ASN 33 6.365 -5.989 -2.648 240 HD21 ASN 33 HD22 ASN 33 8.515 -3.348 -3.260 241 HD22 ASN 33 HD21 ASN 33 9.809 -3.900 -2.311 242 H GLY 34 H GLY 34 6.706 -6.065 -7.061 243 HA2 GLY 34 HA3 GLY 34 4.006 -5.582 -7.236 244 HA3 GLY 34 HA2 GLY 34 4.841 -6.606 -8.406 245 H VAL 35 H VAL 35 5.458 -8.428 -5.944 246 HA VAL 35 HA VAL 35 3.502 -10.394 -6.420 247 HB VAL 35 HB VAL 35 5.698 -10.564 -5.063 248 HG11 VAL 35 HG11 VAL 35 5.605 -10.105 -2.749 249 HG12 VAL 35 HG12 VAL 35 3.844 -10.007 -2.755 250 HG13 VAL 35 HG13 VAL 35 4.800 -8.721 -3.487 251 HG21 VAL 35 HG21 VAL 35 3.110 -11.954 -4.704 252 HG22 VAL 35 HG22 VAL 35 4.276 -12.212 -3.407 253 HG23 VAL 35 HG23 VAL 35 4.703 -12.619 -5.069 254 H ILE 36 H ILE 36 3.478 -7.654 -4.216 255 HA ILE 36 HA ILE 36 1.049 -8.383 -2.828 256 HB ILE 36 HB ILE 36 2.923 -6.623 -2.240 257 HG12 ILE 36 HG13 ILE 36 -0.032 -6.110 -1.778 258 HG13 ILE 36 HG12 ILE 36 0.999 -7.160 -0.809 259 HG21 ILE 36 HG21 ILE 36 0.897 -4.787 -3.511 260 HG22 ILE 36 HG22 ILE 36 2.288 -5.372 -4.425 261 HG23 ILE 36 HG23 ILE 36 2.533 -4.413 -2.966 262 HD11 ILE 36 HD11 ILE 36 0.977 -4.169 -0.978 263 HD12 ILE 36 HD12 ILE 36 2.487 -4.992 -0.590 264 HD13 ILE 36 HD13 ILE 36 1.076 -5.204 0.445 265 H ASP 37 H ASP 37 1.749 -6.813 -5.845 266 HA ASP 37 HA ASP 37 -0.600 -5.296 -6.215 267 HB2 ASP 37 HB3 ASP 37 1.064 -6.763 -8.275 268 HB3 ASP 37 HB2 ASP 37 -0.164 -5.559 -8.654 269 H SER 38 H SER 38 -0.123 -8.784 -6.611 270 HA SER 38 HA SER 38 -2.972 -8.961 -7.503 271 HB2 SER 38 2HB SER 38 -0.610 -10.775 -7.975 272 HB3 SER 38 1HB SER 38 -2.268 -11.278 -8.293 273 H LEU 39 H LEU 39 -0.689 -11.118 -5.775 274 HA LEU 39 HA LEU 39 -2.793 -12.484 -4.405 275 HB2 LEU 39 HB3 LEU 39 0.161 -12.276 -3.855 276 HB3 LEU 39 HB2 LEU 39 -0.911 -13.300 -2.910 277 HG LEU 39 HG LEU 39 -1.642 -14.222 -5.256 278 HD11 LEU 39 HD11 LEU 39 -0.460 -12.675 -6.673 279 HD12 LEU 39 HD12 LEU 39 0.345 -14.236 -6.820 280 HD13 LEU 39 HD13 LEU 39 1.056 -12.970 -5.822 281 HD21 LEU 39 HD21 LEU 39 -0.620 -15.712 -3.744 282 HD22 LEU 39 HD22 LEU 39 0.899 -14.816 -3.752 283 HD23 LEU 39 HD23 LEU 39 0.433 -15.773 -5.158 284 H GLY 40 H GLY 40 -0.494 -10.031 -3.225 285 HA2 GLY 40 HA3 GLY 40 -1.774 -9.820 -0.648 286 HA3 GLY 40 HA2 GLY 40 -0.608 -8.679 -1.310 287 H LEU 41 H LEU 41 -2.030 -8.015 -3.682 288 HA LEU 41 HA LEU 41 -3.673 -5.899 -2.752 289 HB2 LEU 41 HB3 LEU 41 -2.607 -6.048 -5.031 290 HB3 LEU 41 HB2 LEU 41 -3.836 -7.236 -5.465 291 HG LEU 41 HG LEU 41 -5.507 -5.386 -4.616 292 HD11 LEU 41 HD11 LEU 41 -4.616 -3.108 -5.134 293 HD12 LEU 41 HD12 LEU 41 -3.008 -3.814 -5.296 294 HD13 LEU 41 HD13 LEU 41 -3.836 -3.852 -3.739 295 HD21 LEU 41 HD21 LEU 41 -3.994 -5.146 -7.236 296 HD22 LEU 41 HD22 LEU 41 -5.593 -4.475 -6.913 297 HD23 LEU 41 HD23 LEU 41 -5.357 -6.223 -6.934 298 H LEU 42 H LEU 42 -4.545 -9.120 -3.989 299 HA LEU 42 HA LEU 42 -7.364 -8.749 -3.935 300 HB2 LEU 42 HB3 LEU 42 -6.166 -10.726 -4.936 301 HB3 LEU 42 HB2 LEU 42 -5.879 -11.314 -3.305 302 HG LEU 42 HG LEU 42 -8.465 -11.033 -3.021 303 HD11 LEU 42 HD11 LEU 42 -8.243 -10.065 -5.570 304 HD12 LEU 42 HD12 LEU 42 -9.724 -10.733 -4.888 305 HD13 LEU 42 HD13 LEU 42 -8.670 -11.748 -5.872 306 HD21 LEU 42 HD21 LEU 42 -8.771 -13.340 -4.012 307 HD22 LEU 42 HD22 LEU 42 -7.396 -13.200 -2.917 308 HD23 LEU 42 HD23 LEU 42 -7.137 -13.210 -4.661 309 H LYS 43 H LYS 43 -5.131 -9.885 -1.402 310 HA LYS 43 HA LYS 43 -7.180 -10.270 0.580 311 HB2 LYS 43 HB3 LYS 43 -4.215 -9.751 0.852 312 HB3 LYS 43 HB2 LYS 43 -5.266 -10.238 2.177 313 HG2 LYS 43 HG3 LYS 43 -5.884 -12.282 0.883 314 HG3 LYS 43 HG2 LYS 43 -4.718 -11.812 -0.354 315 HD2 LYS 43 HD3 LYS 43 -2.926 -11.832 1.387 316 HD3 LYS 43 HD2 LYS 43 -4.108 -12.432 2.550 317 HE2 LYS 43 HE3 LYS 43 -3.279 -14.455 1.831 318 HE3 LYS 43 HE2 LYS 43 -4.524 -14.227 0.603 319 HZ1 LYS 43 HZ1 LYS 43 -2.627 -14.699 -0.615 320 HZ2 LYS 43 HZ2 LYS 43 -1.616 -13.780 0.389 321 HZ3 LYS 43 HZ3 LYS 43 -2.694 -13.002 -0.670 322 H VAL 44 H VAL 44 -5.169 -7.527 -0.367 323 HA VAL 44 HA VAL 44 -5.808 -5.839 1.857 324 HB VAL 44 HB VAL 44 -4.986 -5.146 -0.973 325 HG11 VAL 44 HG11 VAL 44 -5.153 -3.471 1.547 326 HG12 VAL 44 HG12 VAL 44 -6.026 -3.208 0.037 327 HG13 VAL 44 HG13 VAL 44 -4.279 -2.977 0.097 328 HG21 VAL 44 HG21 VAL 44 -3.581 -6.462 1.006 329 HG22 VAL 44 HG22 VAL 44 -3.115 -4.780 1.267 330 HG23 VAL 44 HG23 VAL 44 -2.851 -5.535 -0.305 331 H ILE 45 H ILE 45 -7.289 -6.028 -1.408 332 HA ILE 45 HA ILE 45 -9.163 -3.940 -0.979 333 HB ILE 45 HB ILE 45 -9.476 -6.427 -2.687 334 HG12 ILE 45 HG13 ILE 45 -7.466 -5.226 -3.335 335 HG13 ILE 45 HG12 ILE 45 -8.716 -4.882 -4.524 336 HG21 ILE 45 HG21 ILE 45 -11.054 -3.943 -2.305 337 HG22 ILE 45 HG22 ILE 45 -11.587 -5.558 -2.770 338 HG23 ILE 45 HG23 ILE 45 -10.841 -4.497 -3.965 339 HD11 ILE 45 HD11 ILE 45 -7.875 -2.750 -4.096 340 HD12 ILE 45 HD12 ILE 45 -7.584 -3.097 -2.391 341 HD13 ILE 45 HD13 ILE 45 -9.229 -2.825 -2.969 342 H ALA 46 H ALA 46 -9.438 -7.440 -0.346 343 HA ALA 46 HA ALA 46 -12.170 -7.327 0.528 344 HB1 ALA 46 HB1 ALA 46 -9.906 -9.263 0.804 345 HB2 ALA 46 HB2 ALA 46 -11.503 -9.502 0.093 346 HB3 ALA 46 HB3 ALA 46 -11.313 -9.473 1.846 347 H TRP 47 H TRP 47 -9.092 -7.188 2.337 348 HA TRP 47 HA TRP 47 -10.483 -6.820 4.876 349 HB2 TRP 47 HB3 TRP 47 -8.455 -7.815 5.278 350 HB3 TRP 47 HB2 TRP 47 -7.651 -6.944 3.971 351 HD1 TRP 47 HD1 TRP 47 -9.608 -5.515 6.993 352 HE1 TRP 47 HE1 TRP 47 -8.046 -3.878 8.234 353 HE3 TRP 47 HE3 TRP 47 -5.375 -6.133 4.258 354 HZ2 TRP 47 HZ2 TRP 47 -5.331 -2.961 8.080 355 HZ3 TRP 47 HZ3 TRP 47 -3.304 -4.879 4.811 356 HH2 TRP 47 HH2 TRP 47 -3.280 -3.295 6.719 357 H LEU 48 H LEU 48 -8.499 -4.745 2.772 358 HA LEU 48 HA LEU 48 -8.723 -2.375 4.298 359 HB2 LEU 48 HB3 LEU 48 -7.185 -2.774 2.328 360 HB3 LEU 48 HB2 LEU 48 -8.572 -2.521 1.284 361 HG LEU 48 HG LEU 48 -8.903 -0.304 2.511 362 HD11 LEU 48 HD11 LEU 48 -6.109 0.023 3.086 363 HD12 LEU 48 HD12 LEU 48 -6.726 -1.356 3.993 364 HD13 LEU 48 HD13 LEU 48 -7.483 0.225 4.170 365 HD21 LEU 48 HD21 LEU 48 -6.538 0.412 1.230 366 HD22 LEU 48 HD22 LEU 48 -8.123 0.279 0.468 367 HD23 LEU 48 HD23 LEU 48 -7.008 -1.087 0.429 368 H GLU 49 H GLU 49 -10.860 -3.615 1.706 369 HA GLU 49 HA GLU 49 -12.545 -1.301 1.651 370 HB2 GLU 49 HB3 GLU 49 -14.101 -2.664 0.423 371 HB3 GLU 49 HB2 GLU 49 -12.488 -3.143 -0.089 372 HG2 GLU 49 HG3 GLU 49 -13.391 -5.224 0.322 373 HG3 GLU 49 HG2 GLU 49 -12.763 -4.848 1.922 374 H ASP 50 H ASP 50 -12.600 -4.280 3.572 375 HA ASP 50 HA ASP 50 -15.112 -3.738 4.869 376 HB2 ASP 50 HB3 ASP 50 -13.894 -5.963 4.817 377 HB3 ASP 50 HB2 ASP 50 -12.786 -5.289 6.010 378 H ARG 51 H ARG 51 -11.764 -2.889 5.550 379 HA ARG 51 HA ARG 51 -12.080 -1.881 8.178 380 HB2 ARG 51 HB3 ARG 51 -9.896 -2.277 7.084 381 HB3 ARG 51 HB2 ARG 51 -10.195 -0.906 6.016 382 HG2 ARG 51 HG3 ARG 51 -10.346 0.585 7.988 383 HG3 ARG 51 HG2 ARG 51 -10.004 -0.788 9.040 384 HD2 ARG 51 HD3 ARG 51 -7.836 -1.119 7.903 385 HD3 ARG 51 HD2 ARG 51 -8.174 0.263 6.862 386 HE ARG 51 HE ARG 51 -7.721 1.711 8.697 387 HH11 ARG 51 HH22 ARG 51 -7.900 -1.614 9.594 388 HH12 ARG 51 HH21 ARG 51 -7.249 -1.357 11.178 389 HH21 ARG 51 HH11 ARG 51 -6.870 2.064 10.757 390 HH22 ARG 51 HH12 ARG 51 -6.665 0.725 11.837 391 H PHE 52 H PHE 52 -12.392 -0.139 5.047 392 HA PHE 52 HA PHE 52 -13.646 2.095 6.593 393 HB2 PHE 52 HB3 PHE 52 -11.913 2.091 4.130 394 HB3 PHE 52 HB2 PHE 52 -12.948 3.458 4.526 395 HD1 PHE 52 HD2 PHE 52 -12.695 4.580 6.790 396 HD2 PHE 52 HD1 PHE 52 -9.854 1.739 5.269 397 HE1 PHE 52 HE2 PHE 52 -11.015 5.384 8.427 398 HE2 PHE 52 HE1 PHE 52 -8.174 2.544 6.907 399 HZ PHE 52 HZ PHE 52 -8.756 4.365 8.487 400 H GLY 53 H GLY 53 -14.377 -0.399 4.496 401 HA2 GLY 53 HA3 GLY 53 -16.375 -0.848 3.325 402 HA3 GLY 53 HA2 GLY 53 -17.025 0.651 3.992 403 H ILE 54 H ILE 54 -14.117 0.227 1.986 404 HA ILE 54 HA ILE 54 -15.238 2.250 0.117 405 HB ILE 54 HB ILE 54 -12.431 1.117 0.314 406 HG12 ILE 54 HG13 ILE 54 -13.461 3.811 1.245 407 HG13 ILE 54 HG12 ILE 54 -13.273 2.427 2.322 408 HG21 ILE 54 HG21 ILE 54 -13.586 3.492 -1.180 409 HG22 ILE 54 HG22 ILE 54 -12.942 2.018 -1.903 410 HG23 ILE 54 HG23 ILE 54 -11.866 3.126 -1.051 411 HD11 ILE 54 HD11 ILE 54 -11.026 3.525 0.616 412 HD12 ILE 54 HD12 ILE 54 -10.904 2.326 1.904 413 HD13 ILE 54 HD13 ILE 54 -11.296 4.001 2.292 414 H ALA 55 H ALA 55 -15.565 1.792 -2.063 415 HA ALA 55 HA ALA 55 -16.111 -0.907 -2.816 416 HB1 ALA 55 HB1 ALA 55 -17.268 0.740 -4.047 417 HB2 ALA 55 HB2 ALA 55 -16.076 0.130 -5.195 418 HB3 ALA 55 HB3 ALA 55 -15.798 1.661 -4.365 419 H ALA 56 H ALA 56 -14.936 -2.342 -4.148 420 HA ALA 56 HA ALA 56 -12.104 -2.368 -3.824 421 HB1 ALA 56 HB1 ALA 56 -13.114 -4.467 -4.223 422 HB2 ALA 56 HB2 ALA 56 -12.255 -4.122 -5.724 423 HB3 ALA 56 HB3 ALA 56 -13.998 -3.871 -5.628 424 H ASP 57 H ASP 57 -14.158 -1.047 -6.354 425 HA ASP 57 HA ASP 57 -13.621 0.200 -8.268 426 HB2 ASP 57 HB3 ASP 57 -11.177 0.776 -6.583 427 HB3 ASP 57 HB2 ASP 57 -11.599 1.647 -8.054 428 H ASP 58 H ASP 58 -13.107 -2.507 -8.537 429 HA ASP 58 HA ASP 58 -10.386 -2.800 -9.648 430 HB2 ASP 58 HB3 ASP 58 -10.990 -5.150 -9.952 431 HB3 ASP 58 HB2 ASP 58 -11.412 -4.639 -8.318 432 H VAL 59 H VAL 59 -12.827 -1.194 -10.820 433 HA VAL 59 HA VAL 59 -13.665 -2.363 -13.234 434 HB VAL 59 HB VAL 59 -13.086 0.521 -12.563 435 HG11 VAL 59 HG11 VAL 59 -14.297 -0.737 -15.029 436 HG12 VAL 59 HG12 VAL 59 -12.975 0.427 -14.942 437 HG13 VAL 59 HG13 VAL 59 -14.624 0.935 -14.573 438 HG21 VAL 59 HG21 VAL 59 -15.838 -0.368 -13.055 439 HG22 VAL 59 HG22 VAL 59 -15.187 0.563 -11.707 440 HG23 VAL 59 HG23 VAL 59 -15.077 -1.197 -11.698 441 H GLU 60 H GLU 60 -10.686 -0.538 -12.562 442 HA GLU 60 HA GLU 60 -9.376 -1.909 -14.797 443 HB2 GLU 60 HB3 GLU 60 -10.471 -0.023 -15.946 444 HB3 GLU 60 HB2 GLU 60 -9.688 1.103 -14.844 445 HG2 GLU 60 HG3 GLU 60 -7.490 0.350 -15.612 446 HG3 GLU 60 HG2 GLU 60 -8.255 -0.804 -16.692 447 H LEU 61 H LEU 61 -7.724 -2.629 -13.496 448 HA LEU 61 HA LEU 61 -6.191 -0.568 -11.973 449 HB2 LEU 61 HB3 LEU 61 -6.195 -3.564 -11.524 450 HB3 LEU 61 HB2 LEU 61 -5.482 -2.335 -10.484 451 HG LEU 61 HG LEU 61 -8.418 -2.751 -11.053 452 HD11 LEU 61 HD11 LEU 61 -6.632 -3.097 -8.648 453 HD12 LEU 61 HD12 LEU 61 -7.731 -4.270 -9.377 454 HD13 LEU 61 HD13 LEU 61 -8.376 -2.897 -8.476 455 HD21 LEU 61 HD21 LEU 61 -6.908 -0.467 -9.809 456 HD22 LEU 61 HD22 LEU 61 -8.533 -0.854 -9.244 457 HD23 LEU 61 HD23 LEU 61 -8.267 -0.418 -10.931 458 H SER 62 H SER 62 -3.973 -0.406 -12.381 459 HA SER 62 HA SER 62 -2.801 -2.355 -14.300 460 HB2 SER 62 HB3 SER 62 -3.390 0.437 -14.801 461 HB3 SER 62 HB2 SER 62 -1.658 0.140 -14.921 462 HG SER 62 HG SER 62 -3.515 -0.434 -16.687 463 HA PRO 63 HA PRO 63 0.719 -2.387 -11.664 464 HB2 PRO 63 HB2 PRO 63 2.784 -2.298 -13.518 465 HB3 PRO 63 HB3 PRO 63 1.882 -3.758 -13.074 466 HG2 PRO 63 HG3 PRO 63 1.591 -1.998 -15.445 467 HG3 PRO 63 HG2 PRO 63 1.403 -3.754 -15.306 468 HD2 PRO 63 HD3 PRO 63 -0.728 -2.066 -15.466 469 HD3 PRO 63 HD2 PRO 63 -0.787 -3.599 -14.568 470 H GLU 64 H GLU 64 0.448 0.190 -14.008 471 HA GLU 64 HA GLU 64 2.660 1.793 -13.214 472 HB2 GLU 64 HB3 GLU 64 -0.049 2.615 -14.268 473 HB3 GLU 64 HB2 GLU 64 1.338 3.688 -14.147 474 HG2 GLU 64 HG3 GLU 64 2.616 2.156 -15.613 475 HG3 GLU 64 HG2 GLU 64 1.182 1.151 -15.780 476 H HIS 65 H HIS 65 -0.508 1.310 -11.788 477 HA HIS 65 HA HIS 65 -0.451 3.583 -10.026 478 HB2 HIS 65 HB3 HIS 65 -2.519 2.322 -10.537 479 HB3 HIS 65 HB2 HIS 65 -1.866 0.920 -9.688 480 HD1 HIS 65 HD1 HIS 65 -2.454 4.620 -8.907 481 HD2 HIS 65 HD2 HIS 65 -2.633 0.892 -7.043 482 HE1 HIS 65 HE1 HIS 65 -3.283 5.035 -6.549 483 HE2 HIS 65 HE2 HIS 65 -3.397 2.774 -5.406 484 H PHE 66 H PHE 66 0.995 0.399 -9.886 485 HA PHE 66 HA PHE 66 1.794 0.869 -7.053 486 HB2 PHE 66 HB3 PHE 66 2.087 -1.616 -8.769 487 HB3 PHE 66 HB2 PHE 66 2.430 -1.499 -7.043 488 HD1 PHE 66 HD1 PHE 66 0.587 -1.104 -5.417 489 HD2 PHE 66 HD2 PHE 66 -0.169 -1.755 -9.595 490 HE1 PHE 66 HE1 PHE 66 -1.802 -1.548 -4.916 491 HE2 PHE 66 HE2 PHE 66 -2.556 -2.200 -9.095 492 HZ PHE 66 HZ PHE 66 -3.373 -2.095 -6.757 493 H ARG 67 H ARG 67 2.938 1.731 -9.958 494 HA ARG 67 HA ARG 67 5.583 0.767 -10.128 495 HB2 ARG 67 HB3 ARG 67 4.449 2.189 -11.848 496 HB3 ARG 67 HB2 ARG 67 4.641 3.577 -10.783 497 HG2 ARG 67 HG3 ARG 67 6.504 3.761 -12.189 498 HG3 ARG 67 HG2 ARG 67 7.169 2.912 -10.798 499 HD2 ARG 67 HD3 ARG 67 6.859 0.753 -11.961 500 HD3 ARG 67 HD2 ARG 67 6.190 1.603 -13.351 501 HE ARG 67 HE ARG 67 8.628 2.807 -13.068 502 HH11 ARG 67 HH22 ARG 67 7.550 -0.468 -13.082 503 HH12 ARG 67 HH21 ARG 67 9.021 -1.089 -13.754 504 HH21 ARG 67 HH11 ARG 67 10.555 2.015 -13.945 505 HH22 ARG 67 HH12 ARG 67 10.723 0.317 -14.242 506 H SER 68 H SER 68 4.277 3.452 -8.184 507 HA SER 68 HA SER 68 6.738 3.296 -6.530 508 HB2 SER 68 HB3 SER 68 7.093 5.690 -6.581 509 HB3 SER 68 HB2 SER 68 7.051 5.108 -8.243 510 HG SER 68 HG SER 68 4.919 5.812 -8.386 511 H ILE 69 H ILE 69 6.437 4.161 -4.381 512 HA ILE 69 HA ILE 69 3.841 3.701 -3.276 513 HB ILE 69 HB ILE 69 6.202 5.195 -2.097 514 HG12 ILE 69 HG13 ILE 69 5.411 2.297 -1.784 515 HG13 ILE 69 HG12 ILE 69 6.657 2.852 -2.892 516 HG21 ILE 69 HG21 ILE 69 4.801 5.552 -0.382 517 HG22 ILE 69 HG22 ILE 69 4.775 3.806 -0.141 518 HG23 ILE 69 HG23 ILE 69 3.545 4.576 -1.141 519 HD11 ILE 69 HD11 ILE 69 7.067 4.001 -0.273 520 HD12 ILE 69 HD12 ILE 69 8.162 2.999 -1.225 521 HD13 ILE 69 HD13 ILE 69 6.974 2.244 -0.162 522 H ARG 70 H ARG 70 5.562 6.648 -4.230 523 HA ARG 70 HA ARG 70 3.783 8.536 -3.062 524 HB2 ARG 70 HB3 ARG 70 5.460 8.739 -5.579 525 HB3 ARG 70 HB2 ARG 70 4.676 10.106 -4.786 526 HG2 ARG 70 HG3 ARG 70 5.933 9.562 -2.697 527 HG3 ARG 70 HG2 ARG 70 6.785 8.293 -3.579 528 HD2 ARG 70 HD3 ARG 70 6.814 11.254 -4.236 529 HD3 ARG 70 HD2 ARG 70 8.146 10.327 -3.546 530 HE ARG 70 HE ARG 70 7.213 9.229 -6.075 531 HH11 ARG 70 HH22 ARG 70 9.178 11.580 -4.497 532 HH12 ARG 70 HH21 ARG 70 10.289 11.732 -5.817 533 HH21 ARG 70 HH11 ARG 70 8.651 9.414 -7.810 534 HH22 ARG 70 HH12 ARG 70 9.991 10.506 -7.693 535 H SER 71 H SER 71 3.641 6.851 -6.196 536 HA SER 71 HA SER 71 1.498 8.350 -7.314 537 HB2 SER 71 HB3 SER 71 2.881 6.621 -8.521 538 HB3 SER 71 HB2 SER 71 1.977 5.377 -7.664 539 HG SER 71 HG SER 71 1.306 6.614 -9.881 540 H ILE 72 H ILE 72 1.428 5.410 -5.286 541 HA ILE 72 HA ILE 72 -1.437 5.232 -5.210 542 HB ILE 72 HB ILE 72 0.633 4.192 -3.252 543 HG12 ILE 72 HG13 ILE 72 -0.707 2.820 -5.605 544 HG13 ILE 72 HG12 ILE 72 0.943 3.444 -5.623 545 HG21 ILE 72 HG21 ILE 72 -1.149 2.554 -2.698 546 HG22 ILE 72 HG22 ILE 72 -2.250 3.422 -3.767 547 HG23 ILE 72 HG23 ILE 72 -1.625 4.209 -2.319 548 HD11 ILE 72 HD11 ILE 72 -0.032 0.942 -4.558 549 HD12 ILE 72 HD12 ILE 72 0.734 1.884 -3.279 550 HD13 ILE 72 HD13 ILE 72 1.633 1.491 -4.744 551 H ASP 73 H ASP 73 0.978 6.784 -3.129 552 HA ASP 73 HA ASP 73 -0.698 7.489 -0.967 553 HB2 ASP 73 HB3 ASP 73 1.798 7.772 -1.061 554 HB3 ASP 73 HB2 ASP 73 1.549 9.176 -2.099 555 H ALA 74 H ALA 74 -0.143 9.205 -4.043 556 HA ALA 74 HA ALA 74 -1.711 11.502 -3.342 557 HB1 ALA 74 HB1 ALA 74 -1.748 11.962 -5.763 558 HB2 ALA 74 HB2 ALA 74 -1.157 10.332 -6.085 559 HB3 ALA 74 HB3 ALA 74 -0.130 11.492 -5.243 560 H PHE 75 H PHE 75 -2.540 8.469 -5.003 561 HA PHE 75 HA PHE 75 -5.246 9.168 -5.593 562 HB2 PHE 75 HB3 PHE 75 -4.035 7.193 -6.539 563 HB3 PHE 75 HB2 PHE 75 -4.165 6.418 -4.962 564 HD1 PHE 75 HD1 PHE 75 -6.081 7.700 -7.859 565 HD2 PHE 75 HD2 PHE 75 -6.250 5.505 -4.170 566 HE1 PHE 75 HE1 PHE 75 -8.371 6.931 -8.422 567 HE2 PHE 75 HE2 PHE 75 -8.539 4.735 -4.733 568 HZ PHE 75 HZ PHE 75 -9.599 5.448 -6.859 569 H VAL 76 H VAL 76 -3.852 7.405 -2.812 570 HA VAL 76 HA VAL 76 -6.346 7.126 -1.432 571 HB VAL 76 HB VAL 76 -3.472 7.091 -0.476 572 HG11 VAL 76 HG11 VAL 76 -4.602 5.859 1.504 573 HG12 VAL 76 HG12 VAL 76 -6.078 6.662 0.968 574 HG13 VAL 76 HG13 VAL 76 -4.684 7.619 1.468 575 HG21 VAL 76 HG21 VAL 76 -5.405 4.782 -0.676 576 HG22 VAL 76 HG22 VAL 76 -3.642 4.740 -0.628 577 HG23 VAL 76 HG23 VAL 76 -4.471 5.303 -2.079 578 H VAL 77 H VAL 77 -3.688 9.516 -1.109 579 HA VAL 77 HA VAL 77 -4.890 11.011 0.994 580 HB VAL 77 HB VAL 77 -2.951 11.766 -1.201 581 HG11 VAL 77 HG11 VAL 77 -4.087 13.399 1.070 582 HG12 VAL 77 HG12 VAL 77 -4.013 13.818 -0.641 583 HG13 VAL 77 HG13 VAL 77 -2.537 13.782 0.322 584 HG21 VAL 77 HG21 VAL 77 -2.462 11.601 1.773 585 HG22 VAL 77 HG22 VAL 77 -1.292 11.493 0.458 586 HG23 VAL 77 HG23 VAL 77 -2.398 10.154 0.765 587 H GLY 78 H GLY 78 -5.208 11.215 -2.528 588 HA2 GLY 78 HA3 GLY 78 -6.696 13.617 -2.675 589 HA3 GLY 78 HA2 GLY 78 -6.816 12.300 -3.841 590 H ALA 79 H ALA 79 -7.722 10.336 -1.822 591 HA ALA 79 HA ALA 79 -10.525 11.326 -1.608 592 HB1 ALA 79 HB1 ALA 79 -9.770 8.456 -1.209 593 HB2 ALA 79 HB2 ALA 79 -9.776 9.119 -2.843 594 HB3 ALA 79 HB3 ALA 79 -11.253 9.138 -1.878 595 H THR 80 H THR 80 -8.175 9.376 0.254 596 HA THR 80 HA THR 80 -9.006 10.711 2.720 597 HB THR 80 HB THR 80 -10.741 8.892 2.303 598 HG1 THR 80 HG1 THR 80 -9.277 9.447 4.509 599 HG21 THR 80 HG21 THR 80 -8.568 7.361 1.648 600 HG22 THR 80 HG22 THR 80 -10.146 6.712 2.094 601 HG23 THR 80 HG23 THR 80 -8.873 6.846 3.306 602 H THR 81 H THR 81 -7.500 10.348 4.417 603 HA THR 81 HA THR 81 -5.153 8.646 3.709 604 HB THR 81 HB THR 81 -4.455 10.899 3.294 605 HG1 THR 81 HG1 THR 81 -2.901 11.144 4.934 606 HG21 THR 81 HG21 THR 81 -5.728 12.512 4.225 607 HG22 THR 81 HG22 THR 81 -4.735 12.312 5.670 608 HG23 THR 81 HG23 THR 81 -6.264 11.444 5.523 609 HA PRO 82 HA PRO 82 -6.541 7.574 7.953 610 HB2 PRO 82 HB2 PRO 82 -6.712 4.921 7.631 611 HB3 PRO 82 HB3 PRO 82 -7.953 6.009 6.976 612 HG2 PRO 82 HG3 PRO 82 -5.750 4.588 5.578 613 HG3 PRO 82 HG2 PRO 82 -7.393 4.952 5.024 614 HD2 PRO 82 HD3 PRO 82 -5.068 6.416 4.378 615 HD3 PRO 82 HD2 PRO 82 -6.744 6.949 4.122 616 HA PRO 83 HA PRO 83 -2.181 6.402 8.778 617 HB2 PRO 83 HB2 PRO 83 -1.945 7.633 11.180 618 HB3 PRO 83 HB3 PRO 83 -1.854 8.525 9.649 619 HG2 PRO 83 HG3 PRO 83 -4.076 8.339 11.602 620 HG3 PRO 83 HG2 PRO 83 -3.577 9.695 10.580 621 HD2 PRO 83 HD3 PRO 83 -5.714 7.963 10.043 622 HD3 PRO 83 HD2 PRO 83 -4.935 9.037 8.861 623 H VAL 84 H VAL 84 -1.483 4.553 9.868 624 HA VAL 84 HA VAL 84 -3.173 3.577 12.136 625 HB VAL 84 HB VAL 84 -3.004 1.299 11.289 626 HG11 VAL 84 HG11 VAL 84 -4.861 2.714 10.461 627 HG12 VAL 84 HG12 VAL 84 -4.362 1.532 9.251 628 HG13 VAL 84 HG13 VAL 84 -3.861 3.216 9.098 629 HG21 VAL 84 HG21 VAL 84 -1.400 2.580 9.054 630 HG22 VAL 84 HG22 VAL 84 -1.990 0.919 9.024 631 HG23 VAL 84 HG23 VAL 84 -0.810 1.414 10.238 632 H GLU 85 H GLU 85 -2.022 2.664 13.833 633 HA GLU 85 HA GLU 85 0.746 3.327 14.114 634 HB2 GLU 85 HB3 GLU 85 -0.845 2.968 16.018 635 HB3 GLU 85 HB2 GLU 85 -0.817 1.240 15.663 636 HG2 GLU 85 HG3 GLU 85 1.657 1.250 15.979 637 HG3 GLU 85 HG2 GLU 85 1.563 2.950 16.440 638 H ALA 86 H ALA 86 -0.908 0.373 13.093 639 HA ALA 86 HA ALA 86 1.687 -0.639 12.077 640 HB1 ALA 86 HB1 ALA 86 1.190 -1.573 14.424 641 HB2 ALA 86 HB2 ALA 86 1.527 -2.751 13.155 642 HB3 ALA 86 HB3 ALA 86 -0.135 -2.453 13.664 643 H LYS 87 H LYS 87 1.399 -2.267 10.407 644 HA LYS 87 HA LYS 87 -0.775 -1.782 8.645 645 HB2 LYS 87 HB3 LYS 87 1.457 -2.815 8.043 646 HB3 LYS 87 HB2 LYS 87 0.880 -4.318 8.763 647 HG2 LYS 87 HG3 LYS 87 -1.062 -4.287 7.203 648 HG3 LYS 87 HG2 LYS 87 -0.396 -2.838 6.446 649 HD2 LYS 87 HD3 LYS 87 1.734 -4.178 6.049 650 HD3 LYS 87 HD2 LYS 87 0.820 -5.607 6.523 651 HE2 LYS 87 HE3 LYS 87 -0.751 -4.153 4.627 652 HE3 LYS 87 HE2 LYS 87 0.877 -4.323 3.969 653 HZ1 LYS 87 HZ1 LYS 87 0.252 -6.368 3.413 654 HZ2 LYS 87 HZ2 LYS 87 -1.138 -6.314 4.383 655 HZ3 LYS 87 HZ3 LYS 87 0.354 -6.757 5.063 656 H LEU 88 H LEU 88 -0.286 -4.293 11.105 657 HA LEU 88 HA LEU 88 -2.528 -5.918 10.489 658 HB2 LEU 88 HB3 LEU 88 -0.745 -6.499 12.146 659 HB3 LEU 88 HB2 LEU 88 -1.422 -5.299 13.245 660 HG LEU 88 HG LEU 88 -3.624 -6.525 13.103 661 HD11 LEU 88 HD11 LEU 88 -1.901 -8.310 11.411 662 HD12 LEU 88 HD12 LEU 88 -3.580 -7.826 11.172 663 HD13 LEU 88 HD13 LEU 88 -3.175 -9.030 12.395 664 HD21 LEU 88 HD21 LEU 88 -2.939 -8.295 14.647 665 HD22 LEU 88 HD22 LEU 88 -2.006 -6.836 14.976 666 HD23 LEU 88 HD23 LEU 88 -1.272 -8.170 14.087 667 H GLN 89 H GLN 89 -2.283 -2.934 12.390 668 HA GLN 89 HA GLN 89 -5.210 -3.029 12.896 669 HB2 GLN 89 HB3 GLN 89 -3.054 -1.154 13.914 670 HB3 GLN 89 HB2 GLN 89 -4.760 -1.051 14.351 671 HG2 GLN 89 HG3 GLN 89 -4.676 -3.312 15.302 672 HG3 GLN 89 HG2 GLN 89 -2.984 -3.464 14.826 673 HE21 GLN 89 HE22 GLN 89 -3.742 -3.667 17.571 674 HE22 GLN 89 HE21 GLN 89 -3.134 -2.318 18.402 675 H1 PN7 101 3HO SAT 38 -0.850 -8.528 -13.430 676 H2 PN7 101 1H1 SAT 38 1.157 -7.360 -10.794 677 H3 PN7 101 2H1 SAT 38 -0.452 -7.326 -10.071 678 H5 PN7 101 3HE1 SAT 38 0.073 -6.419 -14.186 679 H6 PN7 101 1HE1 SAT 38 0.934 -7.732 -13.383 680 H7 PN7 101 2HE1 SAT 38 1.425 -6.060 -13.111 681 H8 PN7 101 2HE2 SAT 38 -0.487 -4.507 -12.444 682 H9 PN7 101 3HE2 SAT 38 0.444 -4.963 -11.017 683 H10 PN7 101 1HE2 SAT 38 -1.317 -5.044 -10.984 684 H11 PN7 101 3H SAT 38 -2.300 -7.496 -11.699 685 H12 PN7 101 5H SAT 38 -3.245 -4.369 -11.942 686 H13 PN7 101 2H6 SAT 38 -4.519 -7.071 -12.058 687 H14 PN7 101 1H6 SAT 38 -5.488 -5.611 -12.258 688 H15 PN7 101 1H7 SAT 38 -5.175 -4.952 -10.018 689 H16 PN7 101 2H7 SAT 38 -3.760 -5.986 -9.816 690 H17 PN7 101 9H SAT 38 -4.131 -8.291 -9.453 691 H18 PN7 101 2H10 SAT 38 -6.852 -8.750 -8.338 692 H19 PN7 101 1H10 SAT 38 -5.485 -8.662 -7.227 693 H20 PN7 101 1H11 SAT 38 -5.001 -10.822 -7.633 694 H21 PN7 101 2H11 SAT 38 -4.814 -10.467 -9.350 695 H22 PN7 101 2HS1 SAT 38 -6.837 -11.915 -9.549 Start of MODEL 9 1 H1 MET 1 H1 MET 1 2.778 12.083 0.622 2 H2 MET 1 H2 MET 1 4.420 12.426 0.893 3 H3 MET 1 H3 MET 1 3.223 13.215 1.804 4 HA MET 1 HA MET 1 3.366 10.285 1.883 5 HB2 MET 1 HB3 MET 1 5.159 12.206 3.396 6 HB3 MET 1 HB2 MET 1 4.946 10.505 3.817 7 HG2 MET 1 HG3 MET 1 5.678 9.903 1.494 8 HG3 MET 1 HG2 MET 1 6.040 11.605 1.215 9 HE1 MET 1 HE1 MET 1 7.178 9.295 4.716 10 HE2 MET 1 HE2 MET 1 7.999 8.368 3.463 11 HE3 MET 1 HE3 MET 1 6.268 8.701 3.331 12 H GLN 2 H GLN 2 1.212 12.210 2.097 13 HA GLN 2 HA GLN 2 0.627 12.954 4.780 14 HB2 GLN 2 HB3 GLN 2 -1.262 12.166 2.539 15 HB3 GLN 2 HB2 GLN 2 -1.752 12.966 4.032 16 HG2 GLN 2 HG3 GLN 2 -0.291 14.875 3.505 17 HG3 GLN 2 HG2 GLN 2 0.229 14.074 2.022 18 HE21 GLN 2 HE22 GLN 2 -1.077 16.613 1.922 19 HE22 GLN 2 HE21 GLN 2 -2.601 16.408 1.205 20 H HIS 3 H HIS 3 0.108 9.922 3.027 21 HA HIS 3 HA HIS 3 -0.427 8.608 5.648 22 HB2 HIS 3 HB3 HIS 3 -2.472 9.112 3.931 23 HB3 HIS 3 HB2 HIS 3 -1.925 7.554 3.313 24 HD1 HIS 3 HD1 HIS 3 -2.713 5.532 4.560 25 HD2 HIS 3 HD2 HIS 3 -3.025 8.991 6.870 26 HE1 HIS 3 HE1 HIS 3 -3.878 4.858 6.708 27 HE2 HIS 3 HE2 HIS 3 -4.071 6.955 8.121 28 H ALA 4 H ALA 4 1.734 8.832 3.385 29 HA ALA 4 HA ALA 4 2.024 6.280 2.169 30 HB1 ALA 4 HB1 ALA 4 3.392 8.056 1.360 31 HB2 ALA 4 HB2 ALA 4 4.502 6.915 2.119 32 HB3 ALA 4 HB3 ALA 4 4.036 8.388 2.968 33 H SER 5 H SER 5 2.942 7.432 5.390 34 HA SER 5 HA SER 5 4.642 5.279 6.118 35 HB2 SER 5 HB3 SER 5 2.712 6.763 7.924 36 HB3 SER 5 HB2 SER 5 4.146 5.876 8.432 37 HG SER 5 HG SER 5 5.418 7.381 7.459 38 H VAL 6 H VAL 6 1.106 5.581 6.307 39 HA VAL 6 HA VAL 6 0.705 3.010 7.558 40 HB VAL 6 HB VAL 6 -1.141 4.739 5.900 41 HG11 VAL 6 HG11 VAL 6 -1.422 2.005 6.906 42 HG12 VAL 6 HG12 VAL 6 -2.441 2.889 5.770 43 HG13 VAL 6 HG13 VAL 6 -2.685 3.079 7.507 44 HG21 VAL 6 HG21 VAL 6 -0.190 4.864 8.597 45 HG22 VAL 6 HG22 VAL 6 -1.904 4.451 8.636 46 HG23 VAL 6 HG23 VAL 6 -1.368 5.914 7.809 47 H ILE 7 H ILE 7 0.895 4.123 4.211 48 HA ILE 7 HA ILE 7 -0.010 1.756 2.939 49 HB ILE 7 HB ILE 7 2.120 3.713 2.031 50 HG12 ILE 7 HG13 ILE 7 -0.846 3.573 1.397 51 HG13 ILE 7 HG12 ILE 7 -0.126 4.693 2.552 52 HG21 ILE 7 HG21 ILE 7 1.426 2.888 -0.253 53 HG22 ILE 7 HG22 ILE 7 0.513 1.611 0.548 54 HG23 ILE 7 HG23 ILE 7 2.266 1.682 0.721 55 HD11 ILE 7 HD11 ILE 7 1.447 5.048 0.308 56 HD12 ILE 7 HD12 ILE 7 0.113 6.095 0.791 57 HD13 ILE 7 HD13 ILE 7 -0.158 4.802 -0.378 58 H ALA 8 H ALA 8 3.317 2.702 3.856 59 HA ALA 8 HA ALA 8 4.535 0.260 2.984 60 HB1 ALA 8 HB1 ALA 8 5.575 2.567 3.806 61 HB2 ALA 8 HB2 ALA 8 6.477 1.060 3.972 62 HB3 ALA 8 HB3 ALA 8 5.616 1.730 5.358 63 H GLN 9 H GLN 9 3.329 1.313 6.150 64 HA GLN 9 HA GLN 9 3.919 -1.112 7.554 65 HB2 GLN 9 HB3 GLN 9 3.340 1.053 8.651 66 HB3 GLN 9 HB2 GLN 9 1.688 0.883 8.061 67 HG2 GLN 9 HG3 GLN 9 2.201 -1.560 9.284 68 HG3 GLN 9 HG2 GLN 9 2.972 -0.389 10.352 69 HE21 GLN 9 HE22 GLN 9 -0.096 -0.580 8.446 70 HE22 GLN 9 HE21 GLN 9 -1.076 0.023 9.695 71 H PHE 10 H PHE 10 1.117 -0.018 5.715 72 HA PHE 10 HA PHE 10 -0.626 -2.192 6.341 73 HB2 PHE 10 HB3 PHE 10 -1.300 -0.019 5.280 74 HB3 PHE 10 HB2 PHE 10 -0.537 -0.565 3.788 75 HD1 PHE 10 HD2 PHE 10 -3.335 -1.081 6.126 76 HD2 PHE 10 HD1 PHE 10 -1.500 -2.366 2.461 77 HE1 PHE 10 HE2 PHE 10 -5.400 -2.315 5.527 78 HE2 PHE 10 HE1 PHE 10 -3.566 -3.599 1.860 79 HZ PHE 10 HZ PHE 10 -5.517 -3.570 3.394 80 H VAL 11 H VAL 11 1.663 -1.695 3.665 81 HA VAL 11 HA VAL 11 1.043 -4.123 2.279 82 HB VAL 11 HB VAL 11 3.571 -2.458 2.360 83 HG11 VAL 11 HG11 VAL 11 4.534 -4.212 1.311 84 HG12 VAL 11 HG12 VAL 11 3.491 -3.822 -0.056 85 HG13 VAL 11 HG13 VAL 11 2.990 -5.040 1.117 86 HG21 VAL 11 HG21 VAL 11 0.989 -2.224 1.033 87 HG22 VAL 11 HG22 VAL 11 2.311 -2.285 -0.133 88 HG23 VAL 11 HG23 VAL 11 2.304 -1.054 1.128 89 H VAL 12 H VAL 12 3.704 -3.398 4.580 90 HA VAL 12 HA VAL 12 4.695 -6.088 4.599 91 HB VAL 12 HB VAL 12 5.862 -5.401 6.686 92 HG11 VAL 12 HG11 VAL 12 7.351 -4.597 5.212 93 HG12 VAL 12 HG12 VAL 12 6.538 -3.033 5.299 94 HG13 VAL 12 HG13 VAL 12 6.061 -4.208 4.073 95 HG21 VAL 12 HG21 VAL 12 5.558 -2.838 7.146 96 HG22 VAL 12 HG22 VAL 12 4.405 -3.983 7.833 97 HG23 VAL 12 HG23 VAL 12 3.989 -3.078 6.381 98 H GLU 13 H GLU 13 2.212 -4.428 6.474 99 HA GLU 13 HA GLU 13 1.924 -6.236 8.596 100 HB2 GLU 13 HB3 GLU 13 0.650 -4.107 8.357 101 HB3 GLU 13 HB2 GLU 13 -0.330 -4.875 7.115 102 HG2 GLU 13 HG3 GLU 13 -0.994 -6.622 8.760 103 HG3 GLU 13 HG2 GLU 13 -0.092 -5.750 9.996 104 H GLU 14 H GLU 14 0.846 -6.571 5.248 105 HA GLU 14 HA GLU 14 -0.823 -8.876 5.688 106 HB2 GLU 14 HB3 GLU 14 0.739 -8.014 3.230 107 HB3 GLU 14 HB2 GLU 14 -0.478 -9.291 3.247 108 HG2 GLU 14 HG3 GLU 14 -2.156 -7.642 4.061 109 HG3 GLU 14 HG2 GLU 14 -0.937 -6.374 3.936 110 H PHE 15 H PHE 15 2.607 -8.371 5.328 111 HA PHE 15 HA PHE 15 3.201 -11.020 6.364 112 HB2 PHE 15 HB3 PHE 15 4.765 -11.217 4.123 113 HB3 PHE 15 HB2 PHE 15 3.211 -12.027 4.317 114 HD1 PHE 15 HD2 PHE 15 4.353 -8.529 3.538 115 HD2 PHE 15 HD1 PHE 15 1.806 -11.823 2.484 116 HE1 PHE 15 HE2 PHE 15 3.422 -7.209 1.659 117 HE2 PHE 15 HE1 PHE 15 0.873 -10.501 0.606 118 HZ PHE 15 HZ PHE 15 1.681 -8.193 0.192 119 H LEU 16 H LEU 16 3.977 -9.085 7.769 120 HA LEU 16 HA LEU 16 6.324 -7.698 6.800 121 HB2 LEU 16 HB3 LEU 16 6.328 -6.517 8.838 122 HB3 LEU 16 HB2 LEU 16 4.634 -6.772 8.473 123 HG LEU 16 HG LEU 16 6.297 -8.454 10.367 124 HD11 LEU 16 HD11 LEU 16 3.951 -6.723 11.102 125 HD12 LEU 16 HD12 LEU 16 5.568 -6.028 10.985 126 HD13 LEU 16 HD13 LEU 16 5.248 -7.329 12.133 127 HD21 LEU 16 HD21 LEU 16 3.379 -8.540 9.534 128 HD22 LEU 16 HD22 LEU 16 3.993 -9.357 10.970 129 HD23 LEU 16 HD23 LEU 16 4.567 -9.831 9.374 130 HA PRO 17 HA PRO 17 9.135 -10.922 7.947 131 HB2 PRO 17 HB2 PRO 17 11.467 -9.453 7.925 132 HB3 PRO 17 HB3 PRO 17 10.674 -10.067 6.464 133 HG2 PRO 17 HG3 PRO 17 10.645 -7.338 7.626 134 HG3 PRO 17 HG2 PRO 17 10.655 -7.847 5.931 135 HD2 PRO 17 HD3 PRO 17 8.412 -6.970 7.243 136 HD3 PRO 17 HD2 PRO 17 8.367 -8.081 5.858 137 H ASP 18 H ASP 18 11.500 -10.363 9.469 138 HA ASP 18 HA ASP 18 10.308 -10.120 12.137 139 HB2 ASP 18 HB3 ASP 18 13.132 -10.646 11.192 140 HB3 ASP 18 HB2 ASP 18 12.657 -10.604 12.885 141 H VAL 19 H VAL 19 10.731 -7.847 10.076 142 HA VAL 19 HA VAL 19 12.299 -6.009 11.841 143 HB VAL 19 HB VAL 19 11.587 -5.700 8.915 144 HG11 VAL 19 HG11 VAL 19 13.480 -4.000 9.071 145 HG12 VAL 19 HG12 VAL 19 13.383 -4.177 10.823 146 HG13 VAL 19 HG13 VAL 19 11.999 -3.558 9.921 147 HG21 VAL 19 HG21 VAL 19 13.758 -7.144 10.306 148 HG22 VAL 19 HG22 VAL 19 14.311 -6.038 9.049 149 HG23 VAL 19 HG23 VAL 19 13.169 -7.322 8.653 150 H ALA 20 H ALA 20 11.276 -4.210 12.661 151 HA ALA 20 HA ALA 20 8.390 -4.016 12.437 152 HB1 ALA 20 HB1 ALA 20 9.624 -1.619 13.485 153 HB2 ALA 20 HB2 ALA 20 10.368 -3.050 14.198 154 HB3 ALA 20 HB3 ALA 20 8.626 -2.806 14.325 155 HA PRO 21 HA PRO 21 8.206 -1.611 8.661 156 HB2 PRO 21 HB2 PRO 21 6.190 0.049 10.105 157 HB3 PRO 21 HB3 PRO 21 6.072 -0.743 8.522 158 HG2 PRO 21 HG3 PRO 21 4.848 -1.702 10.709 159 HG3 PRO 21 HG2 PRO 21 5.462 -2.746 9.420 160 HD2 PRO 21 HD3 PRO 21 6.511 -2.360 12.162 161 HD3 PRO 21 HD2 PRO 21 6.712 -3.729 11.045 162 H ALA 22 H ALA 22 8.335 0.022 11.793 163 HA ALA 22 HA ALA 22 9.228 2.574 10.774 164 HB1 ALA 22 HB1 ALA 22 9.347 1.249 13.489 165 HB2 ALA 22 HB2 ALA 22 8.291 2.563 12.967 166 HB3 ALA 22 HB3 ALA 22 10.015 2.857 13.201 167 H ASP 23 H ASP 23 10.745 -0.460 11.241 168 HA ASP 23 HA ASP 23 13.458 0.748 11.261 169 HB2 ASP 23 HB3 ASP 23 12.514 -2.108 11.648 170 HB3 ASP 23 HB2 ASP 23 14.209 -1.619 11.637 171 H VAL 24 H VAL 24 11.224 -0.002 9.024 172 HA VAL 24 HA VAL 24 13.173 -1.190 7.105 173 HB VAL 24 HB VAL 24 10.172 -0.816 6.827 174 HG11 VAL 24 HG11 VAL 24 12.267 -2.232 5.160 175 HG12 VAL 24 HG12 VAL 24 11.208 -0.913 4.660 176 HG13 VAL 24 HG13 VAL 24 10.536 -2.513 4.974 177 HG21 VAL 24 HG21 VAL 24 11.870 -3.178 7.668 178 HG22 VAL 24 HG22 VAL 24 10.213 -3.355 7.094 179 HG23 VAL 24 HG23 VAL 24 10.544 -2.432 8.559 180 H ASP 25 H ASP 25 13.917 0.054 5.418 181 HA ASP 25 HA ASP 25 13.472 2.900 5.494 182 HB2 ASP 25 HB3 ASP 25 14.753 1.127 3.393 183 HB3 ASP 25 HB2 ASP 25 14.780 2.890 3.350 184 H VAL 26 H VAL 26 11.276 3.368 5.170 185 HA VAL 26 HA VAL 26 9.607 2.163 3.201 186 HB VAL 26 HB VAL 26 8.154 4.118 3.487 187 HG11 VAL 26 HG11 VAL 26 8.241 2.422 5.290 188 HG12 VAL 26 HG12 VAL 26 7.910 4.030 5.933 189 HG13 VAL 26 HG13 VAL 26 9.526 3.337 6.078 190 HG21 VAL 26 HG21 VAL 26 10.622 5.297 4.793 191 HG22 VAL 26 HG22 VAL 26 9.008 5.982 4.986 192 HG23 VAL 26 HG23 VAL 26 9.754 5.917 3.389 193 H ASP 27 H ASP 27 12.403 3.722 2.596 194 HA ASP 27 HA ASP 27 11.451 5.142 0.165 195 HB2 ASP 27 HB3 ASP 27 14.181 4.985 1.485 196 HB3 ASP 27 HB2 ASP 27 13.847 5.874 -0.001 197 H LEU 28 H LEU 28 11.965 2.089 0.925 198 HA LEU 28 HA LEU 28 13.746 1.323 -1.306 199 HB2 LEU 28 HB3 LEU 28 13.836 0.147 0.901 200 HB3 LEU 28 HB2 LEU 28 12.192 -0.420 0.630 201 HG LEU 28 HG LEU 28 13.332 -1.198 -1.701 202 HD11 LEU 28 HD11 LEU 28 15.508 -1.685 0.331 203 HD12 LEU 28 HD12 LEU 28 15.546 -0.292 -0.750 204 HD13 LEU 28 HD13 LEU 28 15.566 -1.925 -1.415 205 HD21 LEU 28 HD21 LEU 28 13.671 -3.440 -0.511 206 HD22 LEU 28 HD22 LEU 28 12.070 -2.717 -0.353 207 HD23 LEU 28 HD23 LEU 28 13.225 -2.605 0.976 208 H ASP 29 H ASP 29 13.002 0.468 -3.229 209 HA ASP 29 HA ASP 29 10.288 0.892 -4.000 210 HB2 ASP 29 HB3 ASP 29 12.411 -0.920 -5.199 211 HB3 ASP 29 HB2 ASP 29 10.878 -0.533 -5.977 212 H LEU 30 H LEU 30 8.541 -0.284 -3.384 213 HA LEU 30 HA LEU 30 8.834 -2.687 -1.826 214 HB2 LEU 30 HB3 LEU 30 6.355 -2.772 -1.916 215 HB3 LEU 30 HB2 LEU 30 6.945 -1.168 -1.477 216 HG LEU 30 HG LEU 30 6.699 -1.519 -4.370 217 HD11 LEU 30 HD11 LEU 30 4.817 -2.906 -3.959 218 HD12 LEU 30 HD12 LEU 30 4.140 -1.297 -4.210 219 HD13 LEU 30 HD13 LEU 30 4.307 -1.938 -2.576 220 HD21 LEU 30 HD21 LEU 30 5.691 0.660 -4.211 221 HD22 LEU 30 HD22 LEU 30 7.012 0.621 -3.043 222 HD23 LEU 30 HD23 LEU 30 5.345 0.436 -2.496 223 H VAL 31 H VAL 31 9.517 -2.468 -4.958 224 HA VAL 31 HA VAL 31 7.915 -4.338 -6.327 225 HB VAL 31 HB VAL 31 10.890 -3.795 -6.515 226 HG11 VAL 31 HG11 VAL 31 10.865 -5.910 -7.451 227 HG12 VAL 31 HG12 VAL 31 10.391 -4.962 -8.860 228 HG13 VAL 31 HG13 VAL 31 9.165 -5.802 -7.909 229 HG21 VAL 31 HG21 VAL 31 9.713 -1.928 -7.335 230 HG22 VAL 31 HG22 VAL 31 8.422 -2.917 -8.013 231 HG23 VAL 31 HG23 VAL 31 10.005 -2.880 -8.788 232 H ASP 32 H ASP 32 10.647 -4.899 -4.136 233 HA ASP 32 HA ASP 32 10.818 -7.718 -4.418 234 HB2 ASP 32 HB3 ASP 32 11.210 -5.983 -1.955 235 HB3 ASP 32 HB2 ASP 32 11.654 -7.687 -2.042 236 H ASN 33 H ASN 33 8.643 -5.659 -2.581 237 HA ASN 33 HA ASN 33 7.184 -7.958 -1.463 238 HB2 ASN 33 HB3 ASN 33 6.570 -5.000 -1.333 239 HB3 ASN 33 HB2 ASN 33 5.800 -6.260 -0.374 240 HD21 ASN 33 HD22 ASN 33 7.885 -3.880 0.103 241 HD22 ASN 33 HD21 ASN 33 8.987 -4.599 1.175 242 H GLY 34 H GLY 34 7.421 -6.990 -4.422 243 HA2 GLY 34 HA3 GLY 34 5.069 -6.061 -5.516 244 HA3 GLY 34 HA2 GLY 34 6.018 -7.334 -6.285 245 H VAL 35 H VAL 35 5.419 -8.861 -3.600 246 HA VAL 35 HA VAL 35 3.458 -10.614 -4.594 247 HB VAL 35 HB VAL 35 4.154 -9.870 -1.738 248 HG11 VAL 35 HG11 VAL 35 2.012 -11.575 -2.817 249 HG12 VAL 35 HG12 VAL 35 2.217 -10.918 -1.193 250 HG13 VAL 35 HG13 VAL 35 3.058 -12.397 -1.658 251 HG21 VAL 35 HG21 VAL 35 5.463 -11.895 -1.780 252 HG22 VAL 35 HG22 VAL 35 5.881 -10.977 -3.226 253 HG23 VAL 35 HG23 VAL 35 4.793 -12.360 -3.344 254 H ILE 36 H ILE 36 3.081 -7.619 -2.750 255 HA ILE 36 HA ILE 36 0.234 -7.867 -2.376 256 HB ILE 36 HB ILE 36 2.003 -6.290 -1.216 257 HG12 ILE 36 HG13 ILE 36 -0.816 -5.446 -1.962 258 HG13 ILE 36 HG12 ILE 36 -0.348 -6.423 -0.574 259 HG21 ILE 36 HG21 ILE 36 0.890 -4.382 -3.269 260 HG22 ILE 36 HG22 ILE 36 2.414 -5.225 -3.552 261 HG23 ILE 36 HG23 ILE 36 2.248 -4.146 -2.168 262 HD11 ILE 36 HD11 ILE 36 -0.069 -3.494 -1.004 263 HD12 ILE 36 HD12 ILE 36 1.239 -4.299 -0.139 264 HD13 ILE 36 HD13 ILE 36 -0.409 -4.384 0.480 265 H ASP 37 H ASP 37 2.225 -6.741 -4.986 266 HA ASP 37 HA ASP 37 0.473 -4.982 -6.304 267 HB2 ASP 37 HB3 ASP 37 2.458 -6.933 -7.491 268 HB3 ASP 37 HB2 ASP 37 1.681 -5.632 -8.389 269 H SER 38 H SER 38 0.461 -8.533 -6.346 270 HA SER 38 HA SER 38 -1.924 -8.385 -8.143 271 HB2 SER 38 2HB SER 38 -0.919 -11.048 -7.919 272 HB3 SER 38 1HB SER 38 -0.969 -10.007 -9.340 273 H LEU 39 H LEU 39 -0.718 -10.669 -5.656 274 HA LEU 39 HA LEU 39 -3.336 -11.622 -5.049 275 HB2 LEU 39 HB3 LEU 39 -1.320 -12.911 -4.545 276 HB3 LEU 39 HB2 LEU 39 -0.851 -11.708 -3.350 277 HG LEU 39 HG LEU 39 -2.880 -12.170 -2.061 278 HD11 LEU 39 HD11 LEU 39 -4.561 -12.813 -3.530 279 HD12 LEU 39 HD12 LEU 39 -4.082 -14.385 -2.888 280 HD13 LEU 39 HD13 LEU 39 -3.486 -13.855 -4.461 281 HD21 LEU 39 HD21 LEU 39 -1.051 -13.511 -1.395 282 HD22 LEU 39 HD22 LEU 39 -1.144 -14.497 -2.853 283 HD23 LEU 39 HD23 LEU 39 -2.376 -14.657 -1.602 284 H GLY 40 H GLY 40 -1.242 -9.405 -3.203 285 HA2 GLY 40 HA3 GLY 40 -3.288 -8.826 -1.255 286 HA3 GLY 40 HA2 GLY 40 -1.810 -7.904 -1.488 287 H LEU 41 H LEU 41 -2.271 -7.292 -4.275 288 HA LEU 41 HA LEU 41 -3.740 -4.876 -4.016 289 HB2 LEU 41 HB3 LEU 41 -2.095 -5.400 -5.850 290 HB3 LEU 41 HB2 LEU 41 -3.317 -6.441 -6.578 291 HG LEU 41 HG LEU 41 -4.838 -4.293 -6.355 292 HD11 LEU 41 HD11 LEU 41 -2.023 -3.173 -6.363 293 HD12 LEU 41 HD12 LEU 41 -3.248 -2.933 -5.117 294 HD13 LEU 41 HD13 LEU 41 -3.470 -2.231 -6.720 295 HD21 LEU 41 HD21 LEU 41 -3.958 -3.551 -8.618 296 HD22 LEU 41 HD22 LEU 41 -4.337 -5.269 -8.495 297 HD23 LEU 41 HD23 LEU 41 -2.661 -4.727 -8.415 298 H LEU 42 H LEU 42 -4.728 -8.069 -5.216 299 HA LEU 42 HA LEU 42 -7.374 -7.289 -6.002 300 HB2 LEU 42 HB3 LEU 42 -6.251 -9.458 -6.621 301 HB3 LEU 42 HB2 LEU 42 -6.495 -9.999 -4.966 302 HG LEU 42 HG LEU 42 -8.997 -9.330 -5.412 303 HD11 LEU 42 HD11 LEU 42 -7.979 -8.553 -7.801 304 HD12 LEU 42 HD12 LEU 42 -9.654 -9.059 -7.580 305 HD13 LEU 42 HD13 LEU 42 -8.458 -10.204 -8.188 306 HD21 LEU 42 HD21 LEU 42 -8.637 -11.589 -4.955 307 HD22 LEU 42 HD22 LEU 42 -7.480 -11.775 -6.273 308 HD23 LEU 42 HD23 LEU 42 -9.206 -11.673 -6.622 309 H LYS 43 H LYS 43 -6.069 -8.591 -2.954 310 HA LYS 43 HA LYS 43 -8.577 -8.644 -1.565 311 HB2 LYS 43 HB3 LYS 43 -5.744 -8.410 -0.540 312 HB3 LYS 43 HB2 LYS 43 -7.146 -8.714 0.477 313 HG2 LYS 43 HG3 LYS 43 -7.637 -10.753 -0.881 314 HG3 LYS 43 HG2 LYS 43 -6.143 -10.474 -1.776 315 HD2 LYS 43 HD3 LYS 43 -4.880 -10.579 0.376 316 HD3 LYS 43 HD2 LYS 43 -6.385 -10.984 1.203 317 HE2 LYS 43 HE3 LYS 43 -5.500 -12.602 -1.171 318 HE3 LYS 43 HE2 LYS 43 -4.808 -12.922 0.420 319 HZ1 LYS 43 HZ1 LYS 43 -7.719 -12.843 -0.160 320 HZ2 LYS 43 HZ2 LYS 43 -6.987 -13.288 1.304 321 HZ3 LYS 43 HZ3 LYS 43 -6.796 -14.267 -0.071 322 H VAL 44 H VAL 44 -6.113 -6.153 -2.013 323 HA VAL 44 HA VAL 44 -7.043 -4.306 -0.063 324 HB VAL 44 HB VAL 44 -5.657 -3.857 -2.715 325 HG11 VAL 44 HG11 VAL 44 -6.427 -1.721 -2.362 326 HG12 VAL 44 HG12 VAL 44 -5.042 -1.671 -1.270 327 HG13 VAL 44 HG13 VAL 44 -6.658 -1.980 -0.633 328 HG21 VAL 44 HG21 VAL 44 -4.149 -3.263 -0.328 329 HG22 VAL 44 HG22 VAL 44 -3.792 -4.441 -1.592 330 HG23 VAL 44 HG23 VAL 44 -4.805 -4.896 -0.222 331 H ILE 45 H ILE 45 -7.958 -4.697 -3.483 332 HA ILE 45 HA ILE 45 -9.708 -2.465 -3.631 333 HB ILE 45 HB ILE 45 -9.320 -4.999 -5.139 334 HG12 ILE 45 HG13 ILE 45 -9.087 -3.468 -6.992 335 HG13 ILE 45 HG12 ILE 45 -9.785 -2.148 -6.055 336 HG21 ILE 45 HG21 ILE 45 -11.361 -4.348 -6.550 337 HG22 ILE 45 HG22 ILE 45 -11.878 -3.395 -5.160 338 HG23 ILE 45 HG23 ILE 45 -11.686 -5.142 -5.010 339 HD11 ILE 45 HD11 ILE 45 -7.139 -2.439 -6.305 340 HD12 ILE 45 HD12 ILE 45 -7.383 -3.514 -4.929 341 HD13 ILE 45 HD13 ILE 45 -7.865 -1.822 -4.821 342 H ALA 46 H ALA 46 -10.355 -5.853 -2.731 343 HA ALA 46 HA ALA 46 -13.169 -5.486 -2.298 344 HB1 ALA 46 HB1 ALA 46 -12.557 -7.725 -2.514 345 HB2 ALA 46 HB2 ALA 46 -12.740 -7.584 -0.765 346 HB3 ALA 46 HB3 ALA 46 -11.132 -7.537 -1.491 347 H TRP 47 H TRP 47 -10.381 -5.372 -0.068 348 HA TRP 47 HA TRP 47 -12.056 -4.840 2.247 349 HB2 TRP 47 HB3 TRP 47 -10.065 -5.753 2.951 350 HB3 TRP 47 HB2 TRP 47 -9.134 -4.968 1.676 351 HD1 TRP 47 HD1 TRP 47 -10.521 -4.399 5.172 352 HE1 TRP 47 HE1 TRP 47 -9.466 -2.257 6.151 353 HE3 TRP 47 HE3 TRP 47 -8.103 -2.638 1.038 354 HZ2 TRP 47 HZ2 TRP 47 -7.808 -0.088 5.287 355 HZ3 TRP 47 HZ3 TRP 47 -6.793 -0.541 1.141 356 HH2 TRP 47 HH2 TRP 47 -6.644 0.736 3.257 357 H LEU 48 H LEU 48 -10.024 -2.844 0.117 358 HA LEU 48 HA LEU 48 -10.279 -0.400 1.495 359 HB2 LEU 48 HB3 LEU 48 -8.796 -0.850 -0.482 360 HB3 LEU 48 HB2 LEU 48 -10.218 -0.773 -1.511 361 HG LEU 48 HG LEU 48 -10.572 1.539 -0.265 362 HD11 LEU 48 HD11 LEU 48 -8.614 1.129 1.221 363 HD12 LEU 48 HD12 LEU 48 -8.441 2.601 0.264 364 HD13 LEU 48 HD13 LEU 48 -7.575 1.137 -0.201 365 HD21 LEU 48 HD21 LEU 48 -8.923 0.749 -2.623 366 HD22 LEU 48 HD22 LEU 48 -8.820 2.429 -2.093 367 HD23 LEU 48 HD23 LEU 48 -10.378 1.744 -2.557 368 H GLU 49 H GLU 49 -12.433 -1.862 -0.941 369 HA GLU 49 HA GLU 49 -14.256 0.342 -1.088 370 HB2 GLU 49 HB3 GLU 49 -14.417 -1.304 -2.799 371 HB3 GLU 49 HB2 GLU 49 -14.546 -2.616 -1.629 372 HG2 GLU 49 HG3 GLU 49 -16.627 -0.526 -1.405 373 HG3 GLU 49 HG2 GLU 49 -16.685 -1.491 -2.877 374 H ASP 50 H ASP 50 -14.160 -2.541 0.985 375 HA ASP 50 HA ASP 50 -16.645 -2.039 2.314 376 HB2 ASP 50 HB3 ASP 50 -15.379 -4.206 2.324 377 HB3 ASP 50 HB2 ASP 50 -14.226 -3.456 3.427 378 H ARG 51 H ARG 51 -13.294 -1.286 3.264 379 HA ARG 51 HA ARG 51 -13.995 -0.023 5.728 380 HB2 ARG 51 HB3 ARG 51 -11.711 -0.828 5.151 381 HB3 ARG 51 HB2 ARG 51 -11.560 0.510 4.010 382 HG2 ARG 51 HG3 ARG 51 -11.885 2.126 5.831 383 HG3 ARG 51 HG2 ARG 51 -12.086 0.805 6.983 384 HD2 ARG 51 HD3 ARG 51 -9.791 0.014 6.423 385 HD3 ARG 51 HD2 ARG 51 -9.593 1.412 5.366 386 HE ARG 51 HE ARG 51 -10.229 2.648 7.679 387 HH11 ARG 51 HH22 ARG 51 -8.152 -0.027 7.005 388 HH12 ARG 51 HH21 ARG 51 -7.081 0.306 8.323 389 HH21 ARG 51 HH11 ARG 51 -8.839 3.090 9.401 390 HH22 ARG 51 HH12 ARG 51 -7.468 2.068 9.677 391 H PHE 52 H PHE 52 -13.480 1.384 2.470 392 HA PHE 52 HA PHE 52 -14.318 4.011 3.592 393 HB2 PHE 52 HB3 PHE 52 -12.958 3.270 0.993 394 HB3 PHE 52 HB2 PHE 52 -13.425 4.906 1.444 395 HD1 PHE 52 HD2 PHE 52 -12.375 6.024 3.404 396 HD2 PHE 52 HD1 PHE 52 -11.054 2.187 1.996 397 HE1 PHE 52 HE2 PHE 52 -10.282 6.266 4.711 398 HE2 PHE 52 HE1 PHE 52 -8.960 2.428 3.303 399 HZ PHE 52 HZ PHE 52 -8.574 4.468 4.661 400 H GLY 53 H GLY 53 -15.673 1.404 1.931 401 HA2 GLY 53 HA3 GLY 53 -17.784 1.216 0.887 402 HA3 GLY 53 HA2 GLY 53 -18.102 2.875 1.399 403 H ILE 54 H ILE 54 -15.298 1.989 -0.526 404 HA ILE 54 HA ILE 54 -16.323 3.759 -2.684 405 HB ILE 54 HB ILE 54 -13.557 2.589 -2.256 406 HG12 ILE 54 HG13 ILE 54 -14.518 5.424 -1.787 407 HG13 ILE 54 HG12 ILE 54 -14.404 4.222 -0.501 408 HG21 ILE 54 HG21 ILE 54 -13.616 3.129 -4.522 409 HG22 ILE 54 HG22 ILE 54 -13.099 4.663 -3.824 410 HG23 ILE 54 HG23 ILE 54 -14.785 4.429 -4.286 411 HD11 ILE 54 HD11 ILE 54 -12.113 5.127 -2.270 412 HD12 ILE 54 HD12 ILE 54 -12.005 3.927 -0.982 413 HD13 ILE 54 HD13 ILE 54 -12.365 5.609 -0.592 414 H ALA 55 H ALA 55 -16.451 3.035 -4.848 415 HA ALA 55 HA ALA 55 -17.214 0.319 -5.256 416 HB1 ALA 55 HB1 ALA 55 -18.037 1.936 -6.809 417 HB2 ALA 55 HB2 ALA 55 -16.918 0.929 -7.729 418 HB3 ALA 55 HB3 ALA 55 -16.413 2.523 -7.168 419 H ALA 56 H ALA 56 -16.081 -1.368 -6.398 420 HA ALA 56 HA ALA 56 -13.400 -1.762 -5.615 421 HB1 ALA 56 HB1 ALA 56 -13.621 -3.794 -6.615 422 HB2 ALA 56 HB2 ALA 56 -14.168 -3.088 -8.136 423 HB3 ALA 56 HB3 ALA 56 -15.308 -3.317 -6.809 424 H ASP 57 H ASP 57 -14.692 -0.455 -8.662 425 HA ASP 57 HA ASP 57 -13.559 0.590 -10.443 426 HB2 ASP 57 HB3 ASP 57 -11.821 1.407 -8.106 427 HB3 ASP 57 HB2 ASP 57 -11.731 2.130 -9.710 428 H ASP 58 H ASP 58 -12.983 -2.068 -10.398 429 HA ASP 58 HA ASP 58 -10.170 -2.650 -10.143 430 HB2 ASP 58 HB3 ASP 58 -11.976 -4.370 -10.030 431 HB3 ASP 58 HB2 ASP 58 -12.249 -4.135 -11.755 432 H VAL 59 H VAL 59 -8.651 -1.829 -11.455 433 HA VAL 59 HA VAL 59 -9.235 -1.664 -14.380 434 HB VAL 59 HB VAL 59 -7.951 0.427 -14.493 435 HG11 VAL 59 HG11 VAL 59 -10.268 0.825 -14.208 436 HG12 VAL 59 HG12 VAL 59 -9.504 1.834 -12.980 437 HG13 VAL 59 HG13 VAL 59 -10.238 0.296 -12.526 438 HG21 VAL 59 HG21 VAL 59 -7.648 -0.071 -11.525 439 HG22 VAL 59 HG22 VAL 59 -7.421 1.529 -12.232 440 HG23 VAL 59 HG23 VAL 59 -6.376 0.194 -12.719 441 H GLU 60 H GLU 60 -7.167 -1.728 -15.682 442 HA GLU 60 HA GLU 60 -5.368 -3.728 -14.509 443 HB2 GLU 60 HB3 GLU 60 -6.132 -3.833 -16.894 444 HB3 GLU 60 HB2 GLU 60 -5.204 -2.373 -17.215 445 HG2 GLU 60 HG3 GLU 60 -3.161 -3.541 -16.420 446 HG3 GLU 60 HG2 GLU 60 -4.111 -5.010 -16.229 447 H LEU 61 H LEU 61 -3.582 -3.177 -13.392 448 HA LEU 61 HA LEU 61 -2.332 -0.518 -13.926 449 HB2 LEU 61 HB3 LEU 61 -2.338 -2.132 -11.360 450 HB3 LEU 61 HB2 LEU 61 -1.551 -0.571 -11.587 451 HG LEU 61 HG LEU 61 -4.102 -0.059 -12.471 452 HD11 LEU 61 HD11 LEU 61 -5.665 -1.034 -10.925 453 HD12 LEU 61 HD12 LEU 61 -4.366 -1.772 -9.990 454 HD13 LEU 61 HD13 LEU 61 -4.729 -2.362 -11.612 455 HD21 LEU 61 HD21 LEU 61 -3.032 0.204 -9.643 456 HD22 LEU 61 HD22 LEU 61 -4.359 1.141 -10.330 457 HD23 LEU 61 HD23 LEU 61 -2.723 1.334 -10.960 458 H SER 62 H SER 62 -0.068 -0.466 -14.155 459 HA SER 62 HA SER 62 1.165 -3.105 -14.702 460 HB2 SER 62 HB3 SER 62 3.036 -1.169 -15.353 461 HB3 SER 62 HB2 SER 62 1.907 -1.917 -16.479 462 HG SER 62 HG SER 62 1.940 0.493 -16.255 463 HA PRO 63 HA PRO 63 3.696 -3.243 -11.112 464 HB2 PRO 63 HB2 PRO 63 6.206 -3.715 -12.257 465 HB3 PRO 63 HB3 PRO 63 5.002 -4.953 -11.865 466 HG2 PRO 63 HG3 PRO 63 5.656 -3.705 -14.467 467 HG3 PRO 63 HG2 PRO 63 5.097 -5.346 -14.104 468 HD2 PRO 63 HD3 PRO 63 3.459 -3.450 -15.169 469 HD3 PRO 63 HD2 PRO 63 2.864 -4.730 -14.088 470 H GLU 64 H GLU 64 4.590 -1.070 -13.688 471 HA GLU 64 HA GLU 64 6.724 0.319 -12.416 472 HB2 GLU 64 HB3 GLU 64 4.672 1.301 -14.397 473 HB3 GLU 64 HB2 GLU 64 6.126 2.183 -13.956 474 HG2 GLU 64 HG3 GLU 64 7.489 0.258 -14.711 475 HG3 GLU 64 HG2 GLU 64 6.016 -0.556 -15.223 476 H HIS 65 H HIS 65 3.231 0.589 -12.097 477 HA HIS 65 HA HIS 65 3.248 3.099 -10.672 478 HB2 HIS 65 HB3 HIS 65 1.234 2.190 -11.794 479 HB3 HIS 65 HB2 HIS 65 1.183 0.881 -10.613 480 HD1 HIS 65 HD1 HIS 65 0.324 1.424 -8.257 481 HD2 HIS 65 HD2 HIS 65 0.589 4.787 -10.711 482 HE1 HIS 65 HE1 HIS 65 -0.853 3.304 -7.029 483 HE2 HIS 65 HE2 HIS 65 -0.697 5.354 -8.514 484 H PHE 66 H PHE 66 3.750 -0.223 -9.682 485 HA PHE 66 HA PHE 66 3.497 0.550 -6.824 486 HB2 PHE 66 HB3 PHE 66 4.005 -2.167 -8.071 487 HB3 PHE 66 HB2 PHE 66 3.642 -1.852 -6.373 488 HD1 PHE 66 HD2 PHE 66 1.400 -1.071 -5.683 489 HD2 PHE 66 HD1 PHE 66 2.287 -2.043 -9.771 490 HE1 PHE 66 HE2 PHE 66 -1.026 -1.124 -6.198 491 HE2 PHE 66 HE1 PHE 66 -0.137 -2.098 -10.286 492 HZ PHE 66 HZ PHE 66 -1.794 -1.638 -8.501 493 H ARG 67 H ARG 67 5.872 0.995 -8.925 494 HA ARG 67 HA ARG 67 8.118 -0.419 -7.938 495 HB2 ARG 67 HB3 ARG 67 7.858 2.298 -9.224 496 HB3 ARG 67 HB2 ARG 67 9.423 1.623 -8.771 497 HG2 ARG 67 HG3 ARG 67 7.541 -0.079 -10.342 498 HG3 ARG 67 HG2 ARG 67 8.429 1.191 -11.184 499 HD2 ARG 67 HD3 ARG 67 9.887 -0.673 -9.330 500 HD3 ARG 67 HD2 ARG 67 9.501 -1.196 -10.970 501 HE ARG 67 HE ARG 67 10.671 1.240 -11.405 502 HH11 ARG 67 HH22 ARG 67 11.476 -1.511 -9.489 503 HH12 ARG 67 HH21 ARG 67 13.186 -1.272 -9.625 504 HH21 ARG 67 HH11 ARG 67 12.900 1.567 -11.595 505 HH22 ARG 67 HH12 ARG 67 13.992 0.471 -10.818 506 H SER 68 H SER 68 6.618 2.561 -6.714 507 HA SER 68 HA SER 68 8.333 2.257 -4.288 508 HB2 SER 68 HB3 SER 68 9.273 4.047 -5.736 509 HB3 SER 68 HB2 SER 68 7.729 4.890 -5.660 510 HG SER 68 HG SER 68 9.433 4.220 -3.486 511 H ILE 69 H ILE 69 7.341 2.858 -2.344 512 HA ILE 69 HA ILE 69 4.516 2.627 -2.165 513 HB ILE 69 HB ILE 69 6.475 3.856 -0.203 514 HG12 ILE 69 HG13 ILE 69 5.358 1.052 -0.302 515 HG13 ILE 69 HG12 ILE 69 6.935 1.491 -0.940 516 HG21 ILE 69 HG21 ILE 69 4.653 4.301 1.020 517 HG22 ILE 69 HG22 ILE 69 4.344 2.567 1.086 518 HG23 ILE 69 HG23 ILE 69 3.614 3.544 -0.186 519 HD11 ILE 69 HD11 ILE 69 6.569 2.533 1.743 520 HD12 ILE 69 HD12 ILE 69 7.854 1.500 1.117 521 HD13 ILE 69 HD13 ILE 69 6.354 0.783 1.703 522 H ARG 70 H ARG 70 6.639 5.463 -2.322 523 HA ARG 70 HA ARG 70 4.701 7.439 -1.664 524 HB2 ARG 70 HB3 ARG 70 7.097 7.610 -3.514 525 HB3 ARG 70 HB2 ARG 70 6.190 9.000 -2.919 526 HG2 ARG 70 HG3 ARG 70 6.693 8.272 -0.581 527 HG3 ARG 70 HG2 ARG 70 7.703 6.983 -1.236 528 HD2 ARG 70 HD3 ARG 70 8.106 9.960 -1.651 529 HD3 ARG 70 HD2 ARG 70 9.105 8.901 -0.656 530 HE ARG 70 HE ARG 70 9.031 7.853 -3.310 531 HH11 ARG 70 HH22 ARG 70 10.194 10.517 -1.456 532 HH12 ARG 70 HH21 ARG 70 11.563 10.802 -2.478 533 HH21 ARG 70 HH11 ARG 70 10.813 8.209 -4.654 534 HH22 ARG 70 HH12 ARG 70 11.913 9.496 -4.289 535 H SER 71 H SER 71 5.473 5.895 -4.777 536 HA SER 71 HA SER 71 3.885 7.580 -6.424 537 HB2 SER 71 HB3 SER 71 4.357 4.605 -6.760 538 HB3 SER 71 HB2 SER 71 3.915 5.747 -8.023 539 HG SER 71 HG SER 71 5.977 6.052 -8.228 540 H ILE 72 H ILE 72 3.037 4.651 -4.585 541 HA ILE 72 HA ILE 72 0.316 4.536 -5.489 542 HB ILE 72 HB ILE 72 1.566 3.497 -2.929 543 HG12 ILE 72 HG13 ILE 72 1.063 2.099 -5.576 544 HG13 ILE 72 HG12 ILE 72 2.637 2.698 -5.052 545 HG21 ILE 72 HG21 ILE 72 -0.536 2.902 -2.409 546 HG22 ILE 72 HG22 ILE 72 -0.534 1.856 -3.828 547 HG23 ILE 72 HG23 ILE 72 -1.135 3.508 -3.952 548 HD11 ILE 72 HD11 ILE 72 0.974 0.499 -3.817 549 HD12 ILE 72 HD12 ILE 72 2.290 1.278 -2.938 550 HD13 ILE 72 HD13 ILE 72 2.624 0.404 -4.433 551 H ASP 73 H ASP 73 1.903 6.085 -2.717 552 HA ASP 73 HA ASP 73 -0.415 6.876 -1.296 553 HB2 ASP 73 HB3 ASP 73 1.996 7.100 -0.536 554 HB3 ASP 73 HB2 ASP 73 2.105 8.532 -1.561 555 H ALA 74 H ALA 74 1.241 8.454 -4.024 556 HA ALA 74 HA ALA 74 -0.346 10.838 -3.990 557 HB1 ALA 74 HB1 ALA 74 1.833 10.217 -5.348 558 HB2 ALA 74 HB2 ALA 74 0.671 11.362 -6.019 559 HB3 ALA 74 HB3 ALA 74 0.674 9.685 -6.565 560 H PHE 75 H PHE 75 -0.751 7.739 -5.684 561 HA PHE 75 HA PHE 75 -3.102 8.489 -7.133 562 HB2 PHE 75 HB3 PHE 75 -1.737 6.450 -7.603 563 HB3 PHE 75 HB2 PHE 75 -2.357 5.742 -6.114 564 HD1 PHE 75 HD2 PHE 75 -3.279 6.948 -9.492 565 HD2 PHE 75 HD1 PHE 75 -4.607 4.897 -5.958 566 HE1 PHE 75 HE2 PHE 75 -5.317 6.200 -10.691 567 HE2 PHE 75 HE1 PHE 75 -6.645 4.150 -7.158 568 HZ PHE 75 HZ PHE 75 -7.000 4.801 -9.524 569 H VAL 76 H VAL 76 -2.696 6.839 -3.994 570 HA VAL 76 HA VAL 76 -5.498 6.631 -3.440 571 HB VAL 76 HB VAL 76 -3.055 6.644 -1.651 572 HG11 VAL 76 HG11 VAL 76 -4.998 5.404 -0.214 573 HG12 VAL 76 HG12 VAL 76 -5.947 6.640 -1.039 574 HG13 VAL 76 HG13 VAL 76 -4.581 7.107 -0.027 575 HG21 VAL 76 HG21 VAL 76 -4.205 4.726 -3.401 576 HG22 VAL 76 HG22 VAL 76 -4.573 4.197 -1.759 577 HG23 VAL 76 HG23 VAL 76 -2.900 4.474 -2.242 578 H VAL 77 H VAL 77 -3.046 9.070 -2.521 579 HA VAL 77 HA VAL 77 -4.773 10.647 -0.895 580 HB VAL 77 HB VAL 77 -2.311 11.337 -2.514 581 HG11 VAL 77 HG11 VAL 77 -2.407 13.323 -0.750 582 HG12 VAL 77 HG12 VAL 77 -4.141 13.022 -0.863 583 HG13 VAL 77 HG13 VAL 77 -3.224 13.445 -2.308 584 HG21 VAL 77 HG21 VAL 77 -2.292 11.496 0.424 585 HG22 VAL 77 HG22 VAL 77 -1.142 10.721 -0.665 586 HG23 VAL 77 HG23 VAL 77 -2.614 9.875 -0.191 587 H GLY 78 H GLY 78 -4.051 10.772 -4.374 588 HA2 GLY 78 HA3 GLY 78 -5.491 13.139 -4.978 589 HA3 GLY 78 HA2 GLY 78 -5.189 11.834 -6.123 590 H ALA 79 H ALA 79 -6.632 9.833 -4.475 591 HA ALA 79 HA ALA 79 -9.381 10.707 -5.208 592 HB1 ALA 79 HB1 ALA 79 -9.594 8.656 -6.096 593 HB2 ALA 79 HB2 ALA 79 -9.249 7.927 -4.528 594 HB3 ALA 79 HB3 ALA 79 -7.928 8.304 -5.635 595 H THR 80 H THR 80 -7.680 8.916 -2.634 596 HA THR 80 HA THR 80 -9.829 9.814 -0.758 597 HB THR 80 HB THR 80 -8.277 7.225 -0.618 598 HG1 THR 80 HG1 THR 80 -9.901 7.515 -2.347 599 HG21 THR 80 HG21 THR 80 -10.641 8.284 0.952 600 HG22 THR 80 HG22 THR 80 -9.001 8.065 1.565 601 HG23 THR 80 HG23 THR 80 -9.967 6.662 1.108 602 H THR 81 H THR 81 -9.127 10.754 1.123 603 HA THR 81 HA THR 81 -6.194 10.706 1.669 604 HB THR 81 HB THR 81 -6.578 12.871 0.797 605 HG1 THR 81 HG1 THR 81 -5.939 12.552 3.259 606 HG21 THR 81 HG21 THR 81 -8.840 13.212 0.573 607 HG22 THR 81 HG22 THR 81 -8.565 14.189 2.015 608 HG23 THR 81 HG23 THR 81 -9.205 12.553 2.168 609 HA PRO 82 HA PRO 82 -8.462 9.403 5.454 610 HB2 PRO 82 HB2 PRO 82 -6.764 7.388 6.153 611 HB3 PRO 82 HB3 PRO 82 -8.072 7.185 4.972 612 HG2 PRO 82 HG3 PRO 82 -5.162 7.457 4.542 613 HG3 PRO 82 HG2 PRO 82 -6.371 6.579 3.595 614 HD2 PRO 82 HD3 PRO 82 -5.283 9.088 2.949 615 HD3 PRO 82 HD2 PRO 82 -6.737 8.369 2.226 616 HA PRO 83 HA PRO 83 -6.061 11.537 8.486 617 HB2 PRO 83 HB2 PRO 83 -6.459 9.927 10.715 618 HB3 PRO 83 HB3 PRO 83 -7.607 11.143 10.128 619 HG2 PRO 83 HG3 PRO 83 -7.619 8.197 9.767 620 HG3 PRO 83 HG2 PRO 83 -8.974 9.318 9.982 621 HD2 PRO 83 HD3 PRO 83 -8.326 8.267 7.555 622 HD3 PRO 83 HD2 PRO 83 -9.042 9.884 7.734 623 H VAL 84 H VAL 84 -4.003 11.458 9.562 624 HA VAL 84 HA VAL 84 -2.491 8.914 9.096 625 HB VAL 84 HB VAL 84 -1.789 10.883 7.714 626 HG11 VAL 84 HG11 VAL 84 -2.267 12.357 9.935 627 HG12 VAL 84 HG12 VAL 84 -1.191 12.889 8.643 628 HG13 VAL 84 HG13 VAL 84 -0.524 12.135 10.092 629 HG21 VAL 84 HG21 VAL 84 0.634 10.698 8.316 630 HG22 VAL 84 HG22 VAL 84 -0.169 9.131 8.233 631 HG23 VAL 84 HG23 VAL 84 0.168 9.867 9.800 632 H GLU 85 H GLU 85 -1.394 8.045 10.789 633 HA GLU 85 HA GLU 85 -1.171 9.624 13.302 634 HB2 GLU 85 HB3 GLU 85 -2.073 6.734 13.078 635 HB3 GLU 85 HB2 GLU 85 -1.793 7.604 14.587 636 HG2 GLU 85 HG3 GLU 85 -3.535 9.254 13.928 637 HG3 GLU 85 HG2 GLU 85 -3.850 8.309 12.473 638 H ALA 86 H ALA 86 0.416 8.350 14.845 639 HA ALA 86 HA ALA 86 2.950 8.206 13.683 640 HB1 ALA 86 HB1 ALA 86 3.702 7.212 15.680 641 HB2 ALA 86 HB2 ALA 86 2.202 6.314 15.907 642 HB3 ALA 86 HB3 ALA 86 2.239 8.055 16.191 643 H LYS 87 H LYS 87 4.115 6.604 12.603 644 HA LYS 87 HA LYS 87 2.703 4.642 11.119 645 HB2 LYS 87 HB3 LYS 87 5.006 5.568 10.602 646 HB3 LYS 87 HB2 LYS 87 5.638 4.500 11.855 647 HG2 LYS 87 HG3 LYS 87 4.702 2.547 10.663 648 HG3 LYS 87 HG2 LYS 87 4.084 3.617 9.404 649 HD2 LYS 87 HD3 LYS 87 6.466 4.413 9.053 650 HD3 LYS 87 HD2 LYS 87 6.981 3.108 10.122 651 HE2 LYS 87 HE3 LYS 87 5.558 1.588 8.537 652 HE3 LYS 87 HE2 LYS 87 5.713 2.926 7.399 653 HZ1 LYS 87 HZ1 LYS 87 7.639 1.953 6.880 654 HZ2 LYS 87 HZ2 LYS 87 7.697 1.044 8.310 655 HZ3 LYS 87 HZ3 LYS 87 8.226 2.658 8.310 656 H LEU 88 H LEU 88 4.355 4.436 14.241 657 HA LEU 88 HA LEU 88 3.693 1.549 14.421 658 HB2 LEU 88 HB3 LEU 88 5.158 3.324 16.399 659 HB3 LEU 88 HB2 LEU 88 5.048 1.565 16.454 660 HG LEU 88 HG LEU 88 6.379 3.210 14.282 661 HD11 LEU 88 HD11 LEU 88 7.400 2.613 16.710 662 HD12 LEU 88 HD12 LEU 88 8.389 2.678 15.251 663 HD13 LEU 88 HD13 LEU 88 7.805 1.126 15.852 664 HD21 LEU 88 HD21 LEU 88 5.620 0.319 14.512 665 HD22 LEU 88 HD22 LEU 88 7.135 0.729 13.708 666 HD23 LEU 88 HD23 LEU 88 5.611 1.367 13.093 667 H GLN 89 H GLN 89 2.172 0.756 15.889 668 HA GLN 89 HA GLN 89 0.798 2.715 17.654 669 HB2 GLN 89 HB3 GLN 89 -0.586 0.902 15.653 670 HB3 GLN 89 HB2 GLN 89 -1.414 1.828 16.907 671 HG2 GLN 89 HG3 GLN 89 -0.549 3.922 15.957 672 HG3 GLN 89 HG2 GLN 89 0.325 3.014 14.723 673 HE21 GLN 89 HE22 GLN 89 -1.652 4.928 13.974 674 HE22 GLN 89 HE21 GLN 89 -2.975 4.106 13.299 675 H1 PN7 101 3HO SAT 38 -0.843 -5.699 -13.291 676 H2 PN7 101 1H1 SAT 38 2.190 -9.132 -11.942 677 H3 PN7 101 2H1 SAT 38 2.738 -7.912 -10.794 678 H5 PN7 101 3HE1 SAT 38 1.543 -6.588 -14.316 679 H6 PN7 101 1HE1 SAT 38 1.551 -8.333 -14.060 680 H7 PN7 101 2HE1 SAT 38 2.974 -7.376 -13.651 681 H8 PN7 101 2HE2 SAT 38 1.687 -5.782 -10.666 682 H9 PN7 101 3HE2 SAT 38 1.198 -5.038 -12.188 683 H10 PN7 101 1HE2 SAT 38 2.838 -5.655 -11.994 684 H11 PN7 101 3H SAT 38 -0.504 -8.260 -12.254 685 H12 PN7 101 5H SAT 38 -0.437 -4.525 -11.335 686 H13 PN7 101 2H6 SAT 38 -2.617 -4.245 -12.376 687 H14 PN7 101 1H6 SAT 38 -2.977 -4.465 -10.665 688 H15 PN7 101 1H7 SAT 38 -2.756 -6.774 -12.612 689 H16 PN7 101 2H7 SAT 38 -4.282 -5.971 -12.243 690 H17 PN7 101 9H SAT 38 -4.048 -8.762 -11.422 691 H18 PN7 101 2H10 SAT 38 -6.110 -7.933 -9.877 692 H19 PN7 101 1H10 SAT 38 -4.831 -8.061 -8.669 693 H20 PN7 101 1H11 SAT 38 -6.476 -10.141 -9.607 694 H21 PN7 101 2H11 SAT 38 -5.044 -10.304 -8.590 695 H22 PN7 101 2HS1 SAT 38 -4.333 -10.100 -11.551 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -3.058 12.182 3.003 2 H2 MET 1 H2 MET 1 -4.497 11.310 3.238 3 H3 MET 1 H3 MET 1 -3.416 10.856 2.009 4 HA MET 1 HA MET 1 -2.048 9.763 3.393 5 HB2 MET 1 HB3 MET 1 -2.810 11.882 5.412 6 HB3 MET 1 HB2 MET 1 -1.762 10.517 5.800 7 HG2 MET 1 HG3 MET 1 -0.261 11.195 3.919 8 HG3 MET 1 HG2 MET 1 -1.266 12.625 3.679 9 HE1 MET 1 HE1 MET 1 -1.923 13.326 7.038 10 HE2 MET 1 HE2 MET 1 -2.010 14.047 5.433 11 HE3 MET 1 HE3 MET 1 -0.953 14.749 6.666 12 H GLN 2 H GLN 2 -4.426 10.769 5.838 13 HA GLN 2 HA GLN 2 -5.946 9.454 7.058 14 HB2 GLN 2 HB3 GLN 2 -6.192 8.133 4.337 15 HB3 GLN 2 HB2 GLN 2 -7.315 7.897 5.677 16 HG2 GLN 2 HG3 GLN 2 -7.748 10.353 5.702 17 HG3 GLN 2 HG2 GLN 2 -6.708 10.523 4.288 18 HE21 GLN 2 HE22 GLN 2 -8.109 7.566 3.861 19 HE22 GLN 2 HE21 GLN 2 -9.477 8.017 2.963 20 H HIS 3 H HIS 3 -4.032 8.610 8.248 21 HA HIS 3 HA HIS 3 -2.806 6.841 9.165 22 HB2 HIS 3 HB3 HIS 3 -5.217 5.537 7.991 23 HB3 HIS 3 HB2 HIS 3 -3.871 4.484 8.417 24 HD1 HIS 3 HD1 HIS 3 -5.433 3.557 10.378 25 HD2 HIS 3 HD2 HIS 3 -4.292 7.552 10.751 26 HE1 HIS 3 HE1 HIS 3 -5.905 4.218 12.780 27 HE2 HIS 3 HE2 HIS 3 -5.214 6.647 13.016 28 H ALA 4 H ALA 4 -1.837 7.975 6.793 29 HA ALA 4 HA ALA 4 -1.205 6.092 4.746 30 HB1 ALA 4 HB1 ALA 4 0.953 7.808 4.788 31 HB2 ALA 4 HB2 ALA 4 -0.310 8.769 5.557 32 HB3 ALA 4 HB3 ALA 4 -0.563 8.111 3.941 33 H SER 5 H SER 5 0.319 6.805 7.853 34 HA SER 5 HA SER 5 2.770 5.440 7.430 35 HB2 SER 5 HB3 SER 5 2.231 6.879 9.417 36 HB3 SER 5 HB2 SER 5 1.214 5.578 10.026 37 HG SER 5 HG SER 5 3.118 4.236 9.906 38 H VAL 6 H VAL 6 -0.385 4.206 8.513 39 HA VAL 6 HA VAL 6 0.506 1.541 9.055 40 HB VAL 6 HB VAL 6 -2.189 2.589 8.175 41 HG11 VAL 6 HG11 VAL 6 -2.995 0.363 9.111 42 HG12 VAL 6 HG12 VAL 6 -1.312 -0.165 9.070 43 HG13 VAL 6 HG13 VAL 6 -2.137 0.267 7.573 44 HG21 VAL 6 HG21 VAL 6 -0.866 2.959 10.543 45 HG22 VAL 6 HG22 VAL 6 -1.761 1.477 10.877 46 HG23 VAL 6 HG23 VAL 6 -2.622 2.936 10.386 47 H ILE 7 H ILE 7 -0.718 3.114 6.141 48 HA ILE 7 HA ILE 7 -0.724 0.802 4.465 49 HB ILE 7 HB ILE 7 -0.313 3.718 3.748 50 HG12 ILE 7 HG13 ILE 7 -2.842 2.037 3.770 51 HG13 ILE 7 HG12 ILE 7 -2.396 3.169 5.047 52 HG21 ILE 7 HG21 ILE 7 -1.008 1.258 2.124 53 HG22 ILE 7 HG22 ILE 7 0.316 2.393 1.859 54 HG23 ILE 7 HG23 ILE 7 -1.348 2.892 1.554 55 HD11 ILE 7 HD11 ILE 7 -2.162 4.879 3.069 56 HD12 ILE 7 HD12 ILE 7 -3.763 4.497 3.701 57 HD13 ILE 7 HD13 ILE 7 -3.199 3.740 2.211 58 H ALA 8 H ALA 8 1.743 3.340 4.943 59 HA ALA 8 HA ALA 8 3.650 2.223 3.129 60 HB1 ALA 8 HB1 ALA 8 3.752 4.187 5.378 61 HB2 ALA 8 HB2 ALA 8 4.213 4.393 3.688 62 HB3 ALA 8 HB3 ALA 8 5.276 3.518 4.792 63 H GLN 9 H GLN 9 3.394 1.916 6.682 64 HA GLN 9 HA GLN 9 5.600 0.074 6.839 65 HB2 GLN 9 HB3 GLN 9 5.113 -0.121 9.130 66 HB3 GLN 9 HB2 GLN 9 4.569 1.507 8.731 67 HG2 GLN 9 HG3 GLN 9 2.751 0.657 9.928 68 HG3 GLN 9 HG2 GLN 9 2.281 0.351 8.259 69 HE21 GLN 9 HE22 GLN 9 1.068 -1.591 8.595 70 HE22 GLN 9 HE21 GLN 9 1.758 -3.018 9.201 71 H PHE 10 H PHE 10 2.081 -0.374 6.671 72 HA PHE 10 HA PHE 10 2.140 -3.225 6.963 73 HB2 PHE 10 HB3 PHE 10 0.076 -1.825 7.164 74 HB3 PHE 10 HB2 PHE 10 0.130 -1.558 5.421 75 HD1 PHE 10 HD1 PHE 10 -0.318 -4.093 8.079 76 HD2 PHE 10 HD2 PHE 10 -0.481 -3.294 3.862 77 HE1 PHE 10 HE1 PHE 10 -1.483 -6.251 7.716 78 HE2 PHE 10 HE2 PHE 10 -1.646 -5.454 3.498 79 HZ PHE 10 HZ PHE 10 -2.147 -6.931 5.426 80 H VAL 11 H VAL 11 2.050 -1.154 4.064 81 HA VAL 11 HA VAL 11 2.204 -3.322 2.186 82 HB VAL 11 HB VAL 11 3.075 -0.429 1.902 83 HG11 VAL 11 HG11 VAL 11 2.171 -1.581 -0.538 84 HG12 VAL 11 HG12 VAL 11 3.358 -2.685 0.155 85 HG13 VAL 11 HG13 VAL 11 3.791 -1.003 -0.148 86 HG21 VAL 11 HG21 VAL 11 0.607 -1.132 2.510 87 HG22 VAL 11 HG22 VAL 11 0.536 -1.607 0.813 88 HG23 VAL 11 HG23 VAL 11 0.892 0.065 1.246 89 H VAL 12 H VAL 12 4.682 -1.182 3.588 90 HA VAL 12 HA VAL 12 6.902 -2.356 2.217 91 HB VAL 12 HB VAL 12 6.796 -0.914 4.871 92 HG11 VAL 12 HG11 VAL 12 9.191 -0.515 4.517 93 HG12 VAL 12 HG12 VAL 12 9.135 -1.435 3.014 94 HG13 VAL 12 HG13 VAL 12 8.867 -2.245 4.553 95 HG21 VAL 12 HG21 VAL 12 6.068 0.115 2.501 96 HG22 VAL 12 HG22 VAL 12 7.814 0.320 2.356 97 HG23 VAL 12 HG23 VAL 12 6.947 1.064 3.700 98 H GLU 13 H GLU 13 5.253 -3.169 5.229 99 HA GLU 13 HA GLU 13 7.126 -4.974 6.325 100 HB2 GLU 13 HB3 GLU 13 5.028 -4.256 7.460 101 HB3 GLU 13 HB2 GLU 13 4.120 -5.271 6.347 102 HG2 GLU 13 HG3 GLU 13 5.425 -7.242 7.127 103 HG3 GLU 13 HG2 GLU 13 6.223 -6.203 8.305 104 H GLU 14 H GLU 14 4.907 -5.341 3.643 105 HA GLU 14 HA GLU 14 5.041 -8.194 3.422 106 HB2 GLU 14 HB3 GLU 14 3.358 -6.767 2.262 107 HB3 GLU 14 HB2 GLU 14 4.638 -6.150 1.219 108 HG2 GLU 14 HG3 GLU 14 3.535 -7.936 0.035 109 HG3 GLU 14 HG2 GLU 14 5.116 -8.531 0.540 110 H PHE 15 H PHE 15 7.174 -5.606 2.344 111 HA PHE 15 HA PHE 15 9.168 -7.677 1.603 112 HB2 PHE 15 HB3 PHE 15 9.672 -6.639 -0.524 113 HB3 PHE 15 HB2 PHE 15 7.941 -6.967 -0.482 114 HD1 PHE 15 HD2 PHE 15 6.353 -5.086 0.162 115 HD2 PHE 15 HD1 PHE 15 10.493 -4.421 -0.767 116 HE1 PHE 15 HE2 PHE 15 5.884 -2.679 -0.201 117 HE2 PHE 15 HE1 PHE 15 10.024 -2.013 -1.126 118 HZ PHE 15 HZ PHE 15 7.720 -1.142 -0.845 119 H LEU 16 H LEU 16 9.179 -6.120 3.933 120 HA LEU 16 HA LEU 16 10.815 -3.761 3.491 121 HB2 LEU 16 HB3 LEU 16 10.482 -3.271 5.694 122 HB3 LEU 16 HB2 LEU 16 9.141 -4.372 5.473 123 HG LEU 16 HG LEU 16 11.860 -5.106 6.614 124 HD11 LEU 16 HD11 LEU 16 9.157 -4.566 7.833 125 HD12 LEU 16 HD12 LEU 16 10.711 -3.842 8.247 126 HD13 LEU 16 HD13 LEU 16 10.382 -5.523 8.666 127 HD21 LEU 16 HD21 LEU 16 10.098 -6.795 5.319 128 HD22 LEU 16 HD22 LEU 16 9.561 -6.915 6.990 129 HD23 LEU 16 HD23 LEU 16 11.229 -7.298 6.568 130 HA PRO 17 HA PRO 17 14.623 -6.135 3.550 131 HB2 PRO 17 HB2 PRO 17 16.375 -4.062 3.398 132 HB3 PRO 17 HB3 PRO 17 15.393 -4.562 2.011 133 HG2 PRO 17 HG3 PRO 17 14.982 -2.295 3.898 134 HG3 PRO 17 HG2 PRO 17 14.771 -2.352 2.141 135 HD2 PRO 17 HD3 PRO 17 12.692 -2.542 3.928 136 HD3 PRO 17 HD2 PRO 17 12.660 -3.238 2.294 137 H ASP 18 H ASP 18 16.952 -4.843 4.847 138 HA ASP 18 HA ASP 18 16.306 -5.528 7.607 139 HB2 ASP 18 HB3 ASP 18 18.680 -5.107 8.021 140 HB3 ASP 18 HB2 ASP 18 18.503 -6.088 6.571 141 H VAL 19 H VAL 19 15.350 -2.993 5.996 142 HA VAL 19 HA VAL 19 16.108 -0.982 8.080 143 HB VAL 19 HB VAL 19 15.027 -0.482 5.293 144 HG11 VAL 19 HG11 VAL 19 15.723 1.827 5.726 145 HG12 VAL 19 HG12 VAL 19 16.338 1.364 7.314 146 HG13 VAL 19 HG13 VAL 19 14.607 1.295 6.984 147 HG21 VAL 19 HG21 VAL 19 17.528 0.408 5.120 148 HG22 VAL 19 HG22 VAL 19 17.152 -1.287 4.808 149 HG23 VAL 19 HG23 VAL 19 17.805 -0.802 6.373 150 H ALA 20 H ALA 20 14.465 -0.057 9.271 151 HA ALA 20 HA ALA 20 11.837 -1.254 9.171 152 HB1 ALA 20 HB1 ALA 20 12.366 1.333 10.589 153 HB2 ALA 20 HB2 ALA 20 13.143 -0.140 11.172 154 HB3 ALA 20 HB3 ALA 20 11.383 -0.038 11.104 155 HA PRO 21 HA PRO 21 10.013 1.280 5.941 156 HB2 PRO 21 HB2 PRO 21 7.643 1.396 7.748 157 HB3 PRO 21 HB3 PRO 21 7.737 0.927 6.040 158 HG2 PRO 21 HG3 PRO 21 7.450 -0.868 8.013 159 HG3 PRO 21 HG2 PRO 21 8.337 -1.217 6.522 160 HD2 PRO 21 HD3 PRO 21 9.387 -0.792 9.258 161 HD3 PRO 21 HD2 PRO 21 10.105 -1.660 7.882 162 H ALA 22 H ALA 22 9.728 2.219 9.336 163 HA ALA 22 HA ALA 22 9.046 4.979 8.832 164 HB1 ALA 22 HB1 ALA 22 8.575 4.511 11.026 165 HB2 ALA 22 HB2 ALA 22 10.231 5.067 11.267 166 HB3 ALA 22 HB3 ALA 22 9.887 3.340 11.162 167 H ASP 23 H ASP 23 12.010 3.169 8.811 168 HA ASP 23 HA ASP 23 13.598 5.689 8.718 169 HB2 ASP 23 HB3 ASP 23 14.436 2.803 9.125 170 HB3 ASP 23 HB2 ASP 23 15.564 4.154 8.999 171 H VAL 24 H VAL 24 11.973 3.923 6.587 172 HA VAL 24 HA VAL 24 14.156 3.752 4.574 173 HB VAL 24 HB VAL 24 12.251 1.940 5.075 174 HG11 VAL 24 HG11 VAL 24 10.316 2.178 3.718 175 HG12 VAL 24 HG12 VAL 24 11.008 3.534 2.829 176 HG13 VAL 24 HG13 VAL 24 10.505 3.744 4.505 177 HG21 VAL 24 HG21 VAL 24 12.410 1.455 2.484 178 HG22 VAL 24 HG22 VAL 24 13.853 1.343 3.491 179 HG23 VAL 24 HG23 VAL 24 13.571 2.783 2.513 180 H ASP 25 H ASP 25 14.090 5.008 2.684 181 HA ASP 25 HA ASP 25 12.717 7.534 2.888 182 HB2 ASP 25 HB3 ASP 25 14.177 6.225 0.575 183 HB3 ASP 25 HB2 ASP 25 13.585 7.886 0.556 184 H VAL 26 H VAL 26 10.470 7.041 3.015 185 HA VAL 26 HA VAL 26 9.066 5.365 1.177 186 HB VAL 26 HB VAL 26 7.052 6.507 1.954 187 HG11 VAL 26 HG11 VAL 26 9.134 5.501 3.713 188 HG12 VAL 26 HG12 VAL 26 7.389 5.258 3.801 189 HG13 VAL 26 HG13 VAL 26 8.120 6.681 4.544 190 HG21 VAL 26 HG21 VAL 26 7.220 8.756 2.173 191 HG22 VAL 26 HG22 VAL 26 8.973 8.681 2.347 192 HG23 VAL 26 HG23 VAL 26 7.937 8.437 3.753 193 H ASP 27 H ASP 27 10.873 7.948 0.377 194 HA ASP 27 HA ASP 27 8.996 9.124 -1.585 195 HB2 ASP 27 HB3 ASP 27 11.881 9.758 -0.892 196 HB3 ASP 27 HB2 ASP 27 10.944 10.618 -2.114 197 H LEU 28 H LEU 28 10.585 6.347 -1.497 198 HA LEU 28 HA LEU 28 11.862 6.479 -4.163 199 HB2 LEU 28 HB3 LEU 28 12.909 5.204 -2.271 200 HB3 LEU 28 HB2 LEU 28 11.530 4.110 -2.300 201 HG LEU 28 HG LEU 28 12.104 3.853 -4.840 202 HD11 LEU 28 HD11 LEU 28 14.081 4.663 -5.600 203 HD12 LEU 28 HD12 LEU 28 14.931 4.224 -4.119 204 HD13 LEU 28 HD13 LEU 28 14.017 5.729 -4.197 205 HD21 LEU 28 HD21 LEU 28 13.991 2.180 -4.109 206 HD22 LEU 28 HD22 LEU 28 12.342 1.926 -3.535 207 HD23 LEU 28 HD23 LEU 28 13.540 2.673 -2.476 208 H ASP 29 H ASP 29 10.882 5.721 -5.998 209 HA ASP 29 HA ASP 29 8.077 5.099 -5.958 210 HB2 ASP 29 HB3 ASP 29 10.178 4.676 -8.109 211 HB3 ASP 29 HB2 ASP 29 8.444 4.465 -8.360 212 H LEU 30 H LEU 30 7.190 3.187 -5.358 213 HA LEU 30 HA LEU 30 8.865 0.882 -4.828 214 HB2 LEU 30 HB3 LEU 30 6.667 -0.236 -4.317 215 HB3 LEU 30 HB2 LEU 30 6.924 1.266 -3.427 216 HG LEU 30 HG LEU 30 5.687 1.784 -5.999 217 HD11 LEU 30 HD11 LEU 30 4.384 -0.215 -4.141 218 HD12 LEU 30 HD12 LEU 30 4.647 -0.358 -5.879 219 HD13 LEU 30 HD13 LEU 30 3.448 0.777 -5.259 220 HD21 LEU 30 HD21 LEU 30 4.232 3.127 -4.664 221 HD22 LEU 30 HD22 LEU 30 5.806 3.210 -3.874 222 HD23 LEU 30 HD23 LEU 30 4.547 2.161 -3.223 223 H VAL 31 H VAL 31 8.024 2.069 -7.715 224 HA VAL 31 HA VAL 31 6.749 0.013 -9.154 225 HB VAL 31 HB VAL 31 7.537 2.313 -10.002 226 HG11 VAL 31 HG11 VAL 31 9.943 1.813 -9.290 227 HG12 VAL 31 HG12 VAL 31 9.740 2.479 -10.911 228 HG13 VAL 31 HG13 VAL 31 10.035 0.753 -10.697 229 HG21 VAL 31 HG21 VAL 31 8.030 -0.168 -11.682 230 HG22 VAL 31 HG22 VAL 31 7.786 1.458 -12.321 231 HG23 VAL 31 HG23 VAL 31 6.478 0.642 -11.464 232 H ASP 32 H ASP 32 10.153 0.320 -8.214 233 HA ASP 32 HA ASP 32 11.141 -1.961 -9.606 234 HB2 ASP 32 HB3 ASP 32 12.527 -0.245 -8.340 235 HB3 ASP 32 HB2 ASP 32 12.033 -1.053 -6.852 236 H ASN 33 H ASN 33 9.439 -1.581 -6.558 237 HA ASN 33 HA ASN 33 9.580 -4.448 -5.934 238 HB2 ASN 33 HB3 ASN 33 8.007 -2.233 -4.608 239 HB3 ASN 33 HB2 ASN 33 8.261 -3.852 -3.961 240 HD21 ASN 33 HD22 ASN 33 9.295 -0.856 -3.395 241 HD22 ASN 33 HD21 ASN 33 10.923 -1.133 -3.006 242 H GLY 34 H GLY 34 8.124 -3.065 -8.320 243 HA2 GLY 34 HA3 GLY 34 5.376 -3.216 -8.227 244 HA3 GLY 34 HA2 GLY 34 6.292 -3.775 -9.628 245 H VAL 35 H VAL 35 7.551 -5.766 -7.552 246 HA VAL 35 HA VAL 35 6.139 -8.077 -8.327 247 HB VAL 35 HB VAL 35 7.717 -7.512 -5.801 248 HG11 VAL 35 HG11 VAL 35 7.853 -10.085 -5.762 249 HG12 VAL 35 HG12 VAL 35 6.456 -10.054 -6.839 250 HG13 VAL 35 HG13 VAL 35 6.339 -9.358 -5.223 251 HG21 VAL 35 HG21 VAL 35 8.433 -7.958 -8.516 252 HG22 VAL 35 HG22 VAL 35 8.862 -9.419 -7.627 253 HG23 VAL 35 HG23 VAL 35 9.509 -7.858 -7.122 254 H ILE 36 H ILE 36 5.569 -5.866 -5.644 255 HA ILE 36 HA ILE 36 3.512 -7.428 -4.356 256 HB ILE 36 HB ILE 36 4.913 -5.364 -3.510 257 HG12 ILE 36 HG13 ILE 36 1.968 -5.766 -2.905 258 HG13 ILE 36 HG12 ILE 36 3.324 -6.574 -2.122 259 HG21 ILE 36 HG21 ILE 36 2.413 -3.930 -4.401 260 HG22 ILE 36 HG22 ILE 36 3.847 -3.977 -5.427 261 HG23 ILE 36 HG23 ILE 36 3.931 -3.240 -3.827 262 HD11 ILE 36 HD11 ILE 36 2.616 -4.769 -0.679 263 HD12 ILE 36 HD12 ILE 36 2.667 -3.622 -2.018 264 HD13 ILE 36 HD13 ILE 36 4.164 -4.318 -1.395 265 H ASP 37 H ASP 37 3.559 -5.324 -7.104 266 HA ASP 37 HA ASP 37 0.903 -4.384 -7.150 267 HB2 ASP 37 HB3 ASP 37 2.677 -5.155 -9.478 268 HB3 ASP 37 HB2 ASP 37 1.186 -4.228 -9.617 269 H SER 38 H SER 38 2.119 -7.588 -8.079 270 HA SER 38 HA SER 38 -0.689 -8.307 -8.820 271 HB2 SER 38 2HB SER 38 1.826 -9.781 -9.602 272 HB3 SER 38 1HB SER 38 0.202 -10.028 -10.235 273 H LEU 39 H LEU 39 2.173 -10.084 -7.592 274 HA LEU 39 HA LEU 39 0.572 -12.084 -6.330 275 HB2 LEU 39 HB3 LEU 39 3.442 -11.251 -6.048 276 HB3 LEU 39 HB2 LEU 39 2.765 -12.503 -5.012 277 HG LEU 39 HG LEU 39 3.884 -13.345 -7.131 278 HD11 LEU 39 HD11 LEU 39 1.460 -14.137 -5.882 279 HD12 LEU 39 HD12 LEU 39 2.568 -15.141 -6.816 280 HD13 LEU 39 HD13 LEU 39 1.224 -14.329 -7.619 281 HD21 LEU 39 HD21 LEU 39 2.753 -13.049 -9.237 282 HD22 LEU 39 HD22 LEU 39 2.969 -11.446 -8.536 283 HD23 LEU 39 HD23 LEU 39 1.395 -12.238 -8.458 284 H GLY 40 H GLY 40 2.332 -9.329 -4.916 285 HA2 GLY 40 HA3 GLY 40 1.272 -9.775 -2.272 286 HA3 GLY 40 HA2 GLY 40 2.085 -8.314 -2.821 287 H LEU 41 H LEU 41 0.342 -7.709 -4.995 288 HA LEU 41 HA LEU 41 -1.647 -6.178 -3.670 289 HB2 LEU 41 HB3 LEU 41 -0.797 -5.774 -5.994 290 HB3 LEU 41 HB2 LEU 41 -1.730 -7.170 -6.533 291 HG LEU 41 HG LEU 41 -3.723 -5.920 -5.344 292 HD11 LEU 41 HD11 LEU 41 -2.403 -4.133 -4.352 293 HD12 LEU 41 HD12 LEU 41 -3.460 -3.444 -5.584 294 HD13 LEU 41 HD13 LEU 41 -1.749 -3.696 -5.930 295 HD21 LEU 41 HD21 LEU 41 -2.582 -4.904 -7.965 296 HD22 LEU 41 HD22 LEU 41 -4.275 -4.866 -7.473 297 HD23 LEU 41 HD23 LEU 41 -3.483 -6.410 -7.787 298 H LEU 42 H LEU 42 -1.825 -9.372 -5.214 299 HA LEU 42 HA LEU 42 -4.646 -9.723 -4.915 300 HB2 LEU 42 HB3 LEU 42 -3.123 -11.193 -6.288 301 HB3 LEU 42 HB2 LEU 42 -2.528 -11.887 -4.786 302 HG LEU 42 HG LEU 42 -5.083 -12.261 -4.283 303 HD11 LEU 42 HD11 LEU 42 -5.365 -11.008 -6.661 304 HD12 LEU 42 HD12 LEU 42 -6.530 -12.182 -6.049 305 HD13 LEU 42 HD13 LEU 42 -5.298 -12.681 -7.209 306 HD21 LEU 42 HD21 LEU 42 -3.347 -14.029 -4.601 307 HD22 LEU 42 HD22 LEU 42 -3.611 -13.939 -6.342 308 HD23 LEU 42 HD23 LEU 42 -4.907 -14.491 -5.281 309 H LYS 43 H LYS 43 -1.911 -10.500 -2.771 310 HA LYS 43 HA LYS 43 -3.475 -11.698 -0.695 311 HB2 LYS 43 HB3 LYS 43 -0.827 -10.243 -0.584 312 HB3 LYS 43 HB2 LYS 43 -1.499 -11.192 0.737 313 HG2 LYS 43 HG3 LYS 43 -1.565 -13.177 -0.777 314 HG3 LYS 43 HG2 LYS 43 -0.766 -12.213 -2.020 315 HD2 LYS 43 HD3 LYS 43 1.122 -11.810 -0.432 316 HD3 LYS 43 HD2 LYS 43 0.341 -12.895 0.719 317 HE2 LYS 43 HE3 LYS 43 0.344 -14.379 -1.618 318 HE3 LYS 43 HE2 LYS 43 1.891 -13.536 -1.684 319 HZ1 LYS 43 HZ1 LYS 43 2.686 -14.708 0.022 320 HZ2 LYS 43 HZ2 LYS 43 1.413 -15.788 -0.280 321 HZ3 LYS 43 HZ3 LYS 43 1.245 -14.591 0.915 322 H VAL 44 H VAL 44 -2.548 -8.361 -1.400 323 HA VAL 44 HA VAL 44 -3.409 -7.160 1.035 324 HB VAL 44 HB VAL 44 -3.340 -6.104 -1.802 325 HG11 VAL 44 HG11 VAL 44 -3.421 -3.852 -0.644 326 HG12 VAL 44 HG12 VAL 44 -3.901 -4.705 0.822 327 HG13 VAL 44 HG13 VAL 44 -4.935 -4.755 -0.604 328 HG21 VAL 44 HG21 VAL 44 -1.286 -6.788 -0.136 329 HG22 VAL 44 HG22 VAL 44 -1.530 -5.100 0.312 330 HG23 VAL 44 HG23 VAL 44 -1.177 -5.525 -1.363 331 H ILE 45 H ILE 45 -5.212 -7.809 -1.974 332 HA ILE 45 HA ILE 45 -7.661 -6.619 -1.164 333 HB ILE 45 HB ILE 45 -6.838 -8.674 -3.165 334 HG12 ILE 45 HG13 ILE 45 -8.107 -7.102 -4.649 335 HG13 ILE 45 HG12 ILE 45 -8.468 -6.115 -3.233 336 HG21 ILE 45 HG21 ILE 45 -9.638 -8.300 -2.112 337 HG22 ILE 45 HG22 ILE 45 -8.764 -9.805 -2.394 338 HG23 ILE 45 HG23 ILE 45 -9.340 -8.851 -3.760 339 HD11 ILE 45 HD11 ILE 45 -5.714 -6.761 -4.321 340 HD12 ILE 45 HD12 ILE 45 -6.015 -5.877 -2.826 341 HD13 ILE 45 HD13 ILE 45 -6.519 -5.193 -4.371 342 H ALA 46 H ALA 46 -6.556 -10.004 -0.879 343 HA ALA 46 HA ALA 46 -8.888 -10.960 0.469 344 HB1 ALA 46 HB1 ALA 46 -6.021 -11.898 0.351 345 HB2 ALA 46 HB2 ALA 46 -7.436 -12.602 -0.435 346 HB3 ALA 46 HB3 ALA 46 -7.231 -12.751 1.311 347 H TRP 47 H TRP 47 -5.827 -9.631 1.696 348 HA TRP 47 HA TRP 47 -6.462 -10.048 4.475 349 HB2 TRP 47 HB3 TRP 47 -4.198 -9.703 4.197 350 HB3 TRP 47 HB2 TRP 47 -4.430 -8.502 2.928 351 HD1 TRP 47 HD1 TRP 47 -4.598 -8.884 6.747 352 HE1 TRP 47 HE1 TRP 47 -4.341 -6.545 7.804 353 HE3 TRP 47 HE3 TRP 47 -4.662 -6.002 2.540 354 HZ2 TRP 47 HZ2 TRP 47 -4.185 -3.811 6.969 355 HZ3 TRP 47 HZ3 TRP 47 -4.457 -3.540 2.694 356 HH2 TRP 47 HH2 TRP 47 -4.218 -2.446 4.895 357 H LEU 48 H LEU 48 -6.922 -7.333 2.241 358 HA LEU 48 HA LEU 48 -7.806 -5.425 4.161 359 HB2 LEU 48 HB3 LEU 48 -7.206 -4.977 1.743 360 HB3 LEU 48 HB2 LEU 48 -8.753 -5.676 1.300 361 HG LEU 48 HG LEU 48 -9.813 -4.000 2.901 362 HD11 LEU 48 HD11 LEU 48 -8.454 -2.661 4.087 363 HD12 LEU 48 HD12 LEU 48 -7.767 -2.027 2.593 364 HD13 LEU 48 HD13 LEU 48 -7.055 -3.446 3.357 365 HD21 LEU 48 HD21 LEU 48 -8.733 -3.662 0.213 366 HD22 LEU 48 HD22 LEU 48 -8.920 -2.117 1.043 367 HD23 LEU 48 HD23 LEU 48 -10.308 -3.187 0.849 368 H GLU 49 H GLU 49 -9.629 -7.816 2.238 369 HA GLU 49 HA GLU 49 -12.206 -7.032 3.241 370 HB2 GLU 49 HB3 GLU 49 -12.034 -8.336 1.199 371 HB3 GLU 49 HB2 GLU 49 -11.255 -9.655 2.061 372 HG2 GLU 49 HG3 GLU 49 -13.280 -9.990 3.404 373 HG3 GLU 49 HG2 GLU 49 -14.063 -8.654 2.573 374 H ASP 50 H ASP 50 -9.802 -9.383 4.361 375 HA ASP 50 HA ASP 50 -11.413 -10.683 6.297 376 HB2 ASP 50 HB3 ASP 50 -9.089 -11.355 5.579 377 HB3 ASP 50 HB2 ASP 50 -8.477 -10.054 6.598 378 H ARG 51 H ARG 51 -9.590 -7.647 6.494 379 HA ARG 51 HA ARG 51 -10.284 -7.327 9.323 380 HB2 ARG 51 HB3 ARG 51 -8.816 -5.581 7.345 381 HB3 ARG 51 HB2 ARG 51 -9.125 -5.103 9.011 382 HG2 ARG 51 HG3 ARG 51 -7.997 -7.216 9.765 383 HG3 ARG 51 HG2 ARG 51 -7.566 -7.527 8.084 384 HD2 ARG 51 HD3 ARG 51 -6.389 -5.328 8.017 385 HD3 ARG 51 HD2 ARG 51 -6.742 -5.120 9.733 386 HE ARG 51 HE ARG 51 -5.336 -7.610 9.061 387 HH11 ARG 51 HH22 ARG 51 -5.196 -4.293 9.989 388 HH12 ARG 51 HH21 ARG 51 -3.618 -4.419 10.693 389 HH21 ARG 51 HH11 ARG 51 -3.276 -7.794 9.974 390 HH22 ARG 51 HH12 ARG 51 -2.531 -6.401 10.684 391 H PHE 52 H PHE 52 -11.238 -5.725 6.246 392 HA PHE 52 HA PHE 52 -13.257 -4.201 7.810 393 HB2 PHE 52 HB3 PHE 52 -12.178 -3.841 5.007 394 HB3 PHE 52 HB2 PHE 52 -13.438 -2.842 5.725 395 HD1 PHE 52 HD1 PHE 52 -12.944 -1.421 7.711 396 HD2 PHE 52 HD2 PHE 52 -9.873 -3.604 5.649 397 HE1 PHE 52 HE1 PHE 52 -11.213 -0.035 8.821 398 HE2 PHE 52 HE2 PHE 52 -8.142 -2.218 6.760 399 HZ PHE 52 HZ PHE 52 -8.812 -0.434 8.346 400 H GLY 53 H GLY 53 -13.074 -6.986 5.881 401 HA2 GLY 53 HA3 GLY 53 -14.807 -8.355 5.048 402 HA3 GLY 53 HA2 GLY 53 -15.939 -7.308 5.903 403 H ILE 54 H ILE 54 -13.660 -6.046 3.547 404 HA ILE 54 HA ILE 54 -15.936 -5.029 1.971 405 HB ILE 54 HB ILE 54 -12.949 -4.647 1.625 406 HG12 ILE 54 HG13 ILE 54 -15.038 -2.718 2.670 407 HG13 ILE 54 HG12 ILE 54 -14.049 -3.727 3.722 408 HG21 ILE 54 HG21 ILE 54 -13.700 -2.720 0.184 409 HG22 ILE 54 HG22 ILE 54 -15.342 -3.356 0.283 410 HG23 ILE 54 HG23 ILE 54 -14.074 -4.305 -0.493 411 HD11 ILE 54 HD11 ILE 54 -12.857 -1.882 1.642 412 HD12 ILE 54 HD12 ILE 54 -12.026 -2.686 2.974 413 HD13 ILE 54 HD13 ILE 54 -13.159 -1.375 3.304 414 H ALA 55 H ALA 55 -16.367 -5.593 -0.175 415 HA ALA 55 HA ALA 55 -15.820 -8.270 -0.976 416 HB1 ALA 55 HB1 ALA 55 -16.917 -5.844 -2.377 417 HB2 ALA 55 HB2 ALA 55 -17.732 -7.355 -1.974 418 HB3 ALA 55 HB3 ALA 55 -16.568 -7.307 -3.298 419 H ALA 56 H ALA 56 -14.444 -9.040 -2.688 420 HA ALA 56 HA ALA 56 -11.814 -8.020 -2.665 421 HB1 ALA 56 HB1 ALA 56 -12.290 -10.309 -3.364 422 HB2 ALA 56 HB2 ALA 56 -11.441 -9.468 -4.662 423 HB3 ALA 56 HB3 ALA 56 -13.184 -9.721 -4.766 424 H ASP 57 H ASP 57 -14.467 -7.397 -4.945 425 HA ASP 57 HA ASP 57 -14.620 -5.811 -6.677 426 HB2 ASP 57 HB3 ASP 57 -12.786 -4.367 -4.754 427 HB3 ASP 57 HB2 ASP 57 -13.583 -3.604 -6.128 428 H ASP 58 H ASP 58 -12.894 -7.809 -7.360 429 HA ASP 58 HA ASP 58 -10.243 -6.857 -8.006 430 HB2 ASP 58 HB3 ASP 58 -10.837 -9.268 -7.741 431 HB3 ASP 58 HB2 ASP 58 -11.760 -9.161 -9.238 432 H VAL 59 H VAL 59 -9.849 -5.342 -9.507 433 HA VAL 59 HA VAL 59 -11.403 -5.422 -12.055 434 HB VAL 59 HB VAL 59 -10.473 -2.769 -11.123 435 HG11 VAL 59 HG11 VAL 59 -12.680 -2.125 -12.068 436 HG12 VAL 59 HG12 VAL 59 -13.042 -3.830 -12.338 437 HG13 VAL 59 HG13 VAL 59 -11.720 -3.060 -13.214 438 HG21 VAL 59 HG21 VAL 59 -12.654 -2.588 -9.759 439 HG22 VAL 59 HG22 VAL 59 -11.313 -3.451 -9.007 440 HG23 VAL 59 HG23 VAL 59 -12.642 -4.351 -9.737 441 H GLU 60 H GLU 60 -10.086 -3.733 -13.622 442 HA GLU 60 HA GLU 60 -7.378 -4.887 -13.709 443 HB2 GLU 60 HB3 GLU 60 -8.726 -4.693 -15.783 444 HB3 GLU 60 HB2 GLU 60 -8.714 -2.941 -15.609 445 HG2 GLU 60 HG3 GLU 60 -6.261 -2.946 -15.711 446 HG3 GLU 60 HG2 GLU 60 -6.273 -4.694 -15.895 447 H LEU 61 H LEU 61 -5.651 -3.877 -12.864 448 HA LEU 61 HA LEU 61 -5.845 -0.948 -12.322 449 HB2 LEU 61 HB3 LEU 61 -4.065 -2.966 -10.930 450 HB3 LEU 61 HB2 LEU 61 -4.355 -1.295 -10.453 451 HG LEU 61 HG LEU 61 -6.363 -3.551 -10.461 452 HD11 LEU 61 HD11 LEU 61 -6.068 -3.650 -8.211 453 HD12 LEU 61 HD12 LEU 61 -5.915 -1.899 -8.062 454 HD13 LEU 61 HD13 LEU 61 -4.525 -2.867 -8.553 455 HD21 LEU 61 HD21 LEU 61 -6.667 -0.571 -10.225 456 HD22 LEU 61 HD22 LEU 61 -7.767 -1.632 -9.346 457 HD23 LEU 61 HD23 LEU 61 -7.671 -1.723 -11.104 458 H SER 62 H SER 62 -4.048 0.351 -12.902 459 HA SER 62 HA SER 62 -2.191 -0.956 -14.825 460 HB2 SER 62 HB3 SER 62 -1.854 1.812 -15.015 461 HB3 SER 62 HB2 SER 62 -2.786 0.797 -16.112 462 HG SER 62 HG SER 62 -3.642 2.310 -13.891 463 HA PRO 63 HA PRO 63 1.275 -0.427 -12.149 464 HB2 PRO 63 HB2 PRO 63 3.198 0.409 -13.966 465 HB3 PRO 63 HB3 PRO 63 2.711 -1.276 -13.711 466 HG2 PRO 63 HG3 PRO 63 1.916 0.625 -15.847 467 HG3 PRO 63 HG2 PRO 63 2.194 -1.123 -15.930 468 HD2 PRO 63 HD3 PRO 63 -0.306 -0.046 -15.892 469 HD3 PRO 63 HD2 PRO 63 0.060 -1.637 -15.190 470 H GLU 64 H GLU 64 0.238 2.239 -14.138 471 HA GLU 64 HA GLU 64 1.989 4.274 -13.208 472 HB2 GLU 64 HB3 GLU 64 -0.895 4.447 -14.078 473 HB3 GLU 64 HB2 GLU 64 0.161 5.834 -13.860 474 HG2 GLU 64 HG3 GLU 64 1.715 4.879 -15.535 475 HG3 GLU 64 HG2 GLU 64 0.591 3.550 -15.790 476 H HIS 65 H HIS 65 -0.893 2.852 -11.795 477 HA HIS 65 HA HIS 65 -1.302 4.840 -9.755 478 HB2 HIS 65 HB3 HIS 65 -3.067 3.276 -10.423 479 HB3 HIS 65 HB2 HIS 65 -2.106 1.920 -9.833 480 HD1 HIS 65 HD1 HIS 65 -3.782 5.083 -8.536 481 HD2 HIS 65 HD2 HIS 65 -2.383 1.420 -7.111 482 HE1 HIS 65 HE1 HIS 65 -4.500 4.934 -6.107 483 HE2 HIS 65 HE2 HIS 65 -3.646 2.713 -5.232 484 H PHE 66 H PHE 66 0.845 2.066 -9.955 485 HA PHE 66 HA PHE 66 1.392 2.236 -7.044 486 HB2 PHE 66 HB3 PHE 66 2.447 0.325 -9.146 487 HB3 PHE 66 HB2 PHE 66 2.744 0.205 -7.410 488 HD1 PHE 66 HD2 PHE 66 0.894 -0.303 -5.844 489 HD2 PHE 66 HD1 PHE 66 0.299 -0.241 -10.097 490 HE1 PHE 66 HE2 PHE 66 -1.264 -1.493 -5.561 491 HE2 PHE 66 HE1 PHE 66 -1.857 -1.431 -9.815 492 HZ PHE 66 HZ PHE 66 -2.639 -2.056 -7.548 493 H ARG 67 H ARG 67 2.406 4.056 -9.493 494 HA ARG 67 HA ARG 67 5.240 3.857 -9.512 495 HB2 ARG 67 HB3 ARG 67 3.500 6.320 -9.818 496 HB3 ARG 67 HB2 ARG 67 5.203 6.219 -10.260 497 HG2 ARG 67 HG3 ARG 67 3.235 4.242 -11.353 498 HG3 ARG 67 HG2 ARG 67 3.413 5.822 -12.113 499 HD2 ARG 67 HD3 ARG 67 5.902 5.355 -12.254 500 HD3 ARG 67 HD2 ARG 67 5.553 3.706 -11.737 501 HE ARG 67 HE ARG 67 3.866 4.242 -13.935 502 HH11 ARG 67 HH22 ARG 67 7.217 4.041 -13.151 503 HH12 ARG 67 HH21 ARG 67 7.692 3.517 -14.732 504 HH21 ARG 67 HH11 ARG 67 4.467 3.558 -16.004 505 HH22 ARG 67 HH12 ARG 67 6.135 3.243 -16.347 506 H SER 68 H SER 68 3.071 5.508 -7.236 507 HA SER 68 HA SER 68 5.445 5.890 -5.463 508 HB2 SER 68 HB3 SER 68 4.671 8.104 -4.833 509 HB3 SER 68 HB2 SER 68 4.835 8.044 -6.586 510 HG SER 68 HG SER 68 2.842 8.779 -6.434 511 H ILE 69 H ILE 69 4.937 5.878 -3.193 512 HA ILE 69 HA ILE 69 2.909 4.039 -2.418 513 HB ILE 69 HB ILE 69 4.359 6.102 -0.733 514 HG12 ILE 69 HG13 ILE 69 5.030 3.201 -1.251 515 HG13 ILE 69 HG12 ILE 69 5.835 4.555 -2.029 516 HG21 ILE 69 HG21 ILE 69 2.288 4.249 -0.133 517 HG22 ILE 69 HG22 ILE 69 3.190 5.271 0.986 518 HG23 ILE 69 HG23 ILE 69 3.776 3.654 0.598 519 HD11 ILE 69 HD11 ILE 69 6.535 3.409 0.420 520 HD12 ILE 69 HD12 ILE 69 5.714 4.907 0.854 521 HD13 ILE 69 HD13 ILE 69 7.116 4.948 -0.215 522 H ARG 70 H ARG 70 2.991 7.583 -2.488 523 HA ARG 70 HA ARG 70 0.611 8.059 -1.007 524 HB2 ARG 70 HB3 ARG 70 1.822 9.634 -3.298 525 HB3 ARG 70 HB2 ARG 70 0.540 10.229 -2.241 526 HG2 ARG 70 HG3 ARG 70 2.045 9.859 -0.280 527 HG3 ARG 70 HG2 ARG 70 3.333 9.406 -1.397 528 HD2 ARG 70 HD3 ARG 70 1.910 12.082 -1.301 529 HD3 ARG 70 HD2 ARG 70 3.567 11.764 -0.789 530 HE ARG 70 HE ARG 70 3.045 11.030 -3.569 531 HH11 ARG 70 HH22 ARG 70 3.926 13.485 -1.315 532 HH12 ARG 70 HH21 ARG 70 4.782 14.436 -2.482 533 HH21 ARG 70 HH11 ARG 70 4.158 12.257 -5.107 534 HH22 ARG 70 HH12 ARG 70 4.913 13.741 -4.629 535 H SER 71 H SER 71 1.092 7.311 -4.450 536 HA SER 71 HA SER 71 -1.565 7.816 -5.318 537 HB2 SER 71 HB3 SER 71 0.337 5.666 -6.292 538 HB3 SER 71 HB2 SER 71 -1.041 6.310 -7.175 539 HG SER 71 HG SER 71 0.426 8.355 -6.375 540 H ILE 72 H ILE 72 -0.096 4.921 -3.866 541 HA ILE 72 HA ILE 72 -2.356 3.210 -4.110 542 HB ILE 72 HB ILE 72 -0.212 3.270 -1.964 543 HG12 ILE 72 HG13 ILE 72 -0.365 1.678 -4.544 544 HG13 ILE 72 HG12 ILE 72 0.631 3.116 -4.320 545 HG21 ILE 72 HG21 ILE 72 -2.083 1.078 -2.893 546 HG22 ILE 72 HG22 ILE 72 -2.162 1.917 -1.345 547 HG23 ILE 72 HG23 ILE 72 -0.786 0.879 -1.715 548 HD11 ILE 72 HD11 ILE 72 1.169 1.418 -2.117 549 HD12 ILE 72 HD12 ILE 72 2.249 1.816 -3.454 550 HD13 ILE 72 HD13 ILE 72 1.205 0.399 -3.557 551 H ASP 73 H ASP 73 -1.411 5.576 -1.645 552 HA ASP 73 HA ASP 73 -3.378 4.978 0.298 553 HB2 ASP 73 HB3 ASP 73 -2.145 7.635 -0.488 554 HB3 ASP 73 HB2 ASP 73 -3.107 7.379 0.964 555 H ALA 74 H ALA 74 -3.557 6.939 -2.653 556 HA ALA 74 HA ALA 74 -6.132 8.067 -2.194 557 HB1 ALA 74 HB1 ALA 74 -4.563 8.762 -4.020 558 HB2 ALA 74 HB2 ALA 74 -6.202 8.459 -4.596 559 HB3 ALA 74 HB3 ALA 74 -4.938 7.258 -4.861 560 H PHE 75 H PHE 75 -5.146 4.986 -3.670 561 HA PHE 75 HA PHE 75 -7.763 4.157 -4.471 562 HB2 PHE 75 HB3 PHE 75 -5.653 3.040 -5.186 563 HB3 PHE 75 HB2 PHE 75 -5.479 2.401 -3.555 564 HD1 PHE 75 HD1 PHE 75 -7.560 2.336 -6.617 565 HD2 PHE 75 HD2 PHE 75 -6.843 0.579 -2.764 566 HE1 PHE 75 HE1 PHE 75 -9.071 0.456 -7.193 567 HE2 PHE 75 HE2 PHE 75 -8.355 -1.301 -3.340 568 HZ PHE 75 HZ PHE 75 -9.469 -1.363 -5.555 569 H VAL 76 H VAL 76 -5.940 3.566 -1.463 570 HA VAL 76 HA VAL 76 -7.990 2.038 -0.183 571 HB VAL 76 HB VAL 76 -5.718 3.712 0.917 572 HG11 VAL 76 HG11 VAL 76 -7.879 2.142 2.248 573 HG12 VAL 76 HG12 VAL 76 -7.066 3.610 2.785 574 HG13 VAL 76 HG13 VAL 76 -6.254 2.051 2.926 575 HG21 VAL 76 HG21 VAL 76 -5.411 1.525 -0.502 576 HG22 VAL 76 HG22 VAL 76 -5.963 0.713 0.964 577 HG23 VAL 76 HG23 VAL 76 -4.507 1.706 1.002 578 H VAL 77 H VAL 77 -7.255 5.520 -0.206 579 HA VAL 77 HA VAL 77 -9.181 6.317 1.725 580 HB VAL 77 HB VAL 77 -8.042 7.747 -0.689 581 HG11 VAL 77 HG11 VAL 77 -10.138 8.499 1.235 582 HG12 VAL 77 HG12 VAL 77 -9.764 9.179 -0.348 583 HG13 VAL 77 HG13 VAL 77 -8.846 9.687 1.068 584 HG21 VAL 77 HG21 VAL 77 -6.239 8.002 0.639 585 HG22 VAL 77 HG22 VAL 77 -7.036 7.089 1.920 586 HG23 VAL 77 HG23 VAL 77 -7.245 8.838 1.821 587 H GLY 78 H GLY 78 -9.425 5.862 -1.792 588 HA2 GLY 78 HA3 GLY 78 -12.055 6.859 -2.140 589 HA3 GLY 78 HA2 GLY 78 -11.310 5.633 -3.165 590 H ALA 79 H ALA 79 -10.947 3.657 -1.062 591 HA ALA 79 HA ALA 79 -13.767 2.761 -0.897 592 HB1 ALA 79 HB1 ALA 79 -11.973 1.262 -1.844 593 HB2 ALA 79 HB2 ALA 79 -12.880 0.551 -0.509 594 HB3 ALA 79 HB3 ALA 79 -11.263 1.198 -0.231 595 H THR 80 H THR 80 -10.916 3.007 1.237 596 HA THR 80 HA THR 80 -12.809 3.330 3.527 597 HB THR 80 HB THR 80 -10.192 1.819 3.604 598 HG1 THR 80 HG1 THR 80 -12.694 0.647 3.997 599 HG21 THR 80 HG21 THR 80 -11.812 1.139 5.774 600 HG22 THR 80 HG22 THR 80 -11.993 2.887 5.620 601 HG23 THR 80 HG23 THR 80 -10.389 2.181 5.818 602 H THR 81 H THR 81 -12.285 5.002 4.915 603 HA THR 81 HA THR 81 -9.646 6.331 4.504 604 HB THR 81 HB THR 81 -11.184 7.740 3.359 605 HG1 THR 81 HG1 THR 81 -10.575 9.433 4.421 606 HG21 THR 81 HG21 THR 81 -13.006 6.805 5.481 607 HG22 THR 81 HG22 THR 81 -13.356 7.253 3.811 608 HG23 THR 81 HG23 THR 81 -13.201 8.503 5.046 609 HA PRO 82 HA PRO 82 -10.212 5.361 8.988 610 HB2 PRO 82 HB2 PRO 82 -7.272 5.377 8.966 611 HB3 PRO 82 HB3 PRO 82 -8.380 4.095 9.480 612 HG2 PRO 82 HG3 PRO 82 -6.889 3.945 7.235 613 HG3 PRO 82 HG2 PRO 82 -8.468 3.161 7.407 614 HD2 PRO 82 HD3 PRO 82 -7.755 5.655 5.916 615 HD3 PRO 82 HD2 PRO 82 -8.972 4.415 5.533 616 HA PRO 83 HA PRO 83 -9.195 9.231 10.899 617 HB2 PRO 83 HB2 PRO 83 -7.082 8.155 12.664 618 HB3 PRO 83 HB3 PRO 83 -8.638 8.887 13.090 619 HG2 PRO 83 HG3 PRO 83 -8.153 6.259 13.358 620 HG3 PRO 83 HG2 PRO 83 -9.757 6.904 12.972 621 HD2 PRO 83 HD3 PRO 83 -7.789 5.550 11.174 622 HD3 PRO 83 HD2 PRO 83 -9.565 5.503 11.147 623 H VAL 84 H VAL 84 -7.708 11.005 10.775 624 HA VAL 84 HA VAL 84 -5.397 10.489 9.011 625 HB VAL 84 HB VAL 84 -5.276 12.943 8.834 626 HG11 VAL 84 HG11 VAL 84 -8.201 12.310 8.643 627 HG12 VAL 84 HG12 VAL 84 -7.065 11.400 7.647 628 HG13 VAL 84 HG13 VAL 84 -7.163 13.154 7.493 629 HG21 VAL 84 HG21 VAL 84 -6.925 12.727 11.248 630 HG22 VAL 84 HG22 VAL 84 -7.587 13.858 10.067 631 HG23 VAL 84 HG23 VAL 84 -5.947 14.079 10.677 632 H GLU 85 H GLU 85 -3.349 10.392 9.736 633 HA GLU 85 HA GLU 85 -2.638 11.715 12.293 634 HB2 GLU 85 HB3 GLU 85 -2.032 8.814 11.637 635 HB3 GLU 85 HB2 GLU 85 -1.431 9.688 13.047 636 HG2 GLU 85 HG3 GLU 85 -3.775 10.094 13.767 637 HG3 GLU 85 HG2 GLU 85 -4.343 9.147 12.392 638 H ALA 86 H ALA 86 -0.275 12.036 12.477 639 HA ALA 86 HA ALA 86 0.932 12.852 10.027 640 HB1 ALA 86 HB1 ALA 86 2.964 12.220 11.953 641 HB2 ALA 86 HB2 ALA 86 1.587 12.927 12.800 642 HB3 ALA 86 HB3 ALA 86 2.359 13.809 11.483 643 H LYS 87 H LYS 87 2.325 11.778 8.618 644 HA LYS 87 HA LYS 87 2.198 8.944 8.450 645 HB2 LYS 87 HB3 LYS 87 2.774 10.489 6.553 646 HB3 LYS 87 HB2 LYS 87 4.365 10.713 7.282 647 HG2 LYS 87 HG3 LYS 87 4.755 8.268 7.154 648 HG3 LYS 87 HG2 LYS 87 3.183 8.069 6.380 649 HD2 LYS 87 HD3 LYS 87 3.956 9.639 4.570 650 HD3 LYS 87 HD2 LYS 87 5.561 9.606 5.302 651 HE2 LYS 87 HE3 LYS 87 4.058 7.371 3.956 652 HE3 LYS 87 HE2 LYS 87 5.709 7.922 3.672 653 HZ1 LYS 87 HZ1 LYS 87 5.510 5.804 4.944 654 HZ2 LYS 87 HZ2 LYS 87 4.814 6.686 6.214 655 HZ3 LYS 87 HZ3 LYS 87 6.409 7.014 5.728 656 H LEU 88 H LEU 88 4.630 11.081 9.896 657 HA LEU 88 HA LEU 88 6.607 9.106 10.439 658 HB2 LEU 88 HB3 LEU 88 5.908 11.545 12.104 659 HB3 LEU 88 HB2 LEU 88 7.434 10.661 12.145 660 HG LEU 88 HG LEU 88 6.296 12.151 9.761 661 HD11 LEU 88 HD11 LEU 88 8.215 13.636 10.084 662 HD12 LEU 88 HD12 LEU 88 8.766 12.662 11.448 663 HD13 LEU 88 HD13 LEU 88 7.260 13.573 11.566 664 HD21 LEU 88 HD21 LEU 88 7.482 10.416 8.758 665 HD22 LEU 88 HD22 LEU 88 8.596 10.257 10.115 666 HD23 LEU 88 HD23 LEU 88 8.768 11.600 8.986 667 H GLN 89 H GLN 89 3.666 10.014 12.181 668 HA GLN 89 HA GLN 89 4.284 7.947 14.237 669 HB2 GLN 89 HB3 GLN 89 3.630 10.244 14.999 670 HB3 GLN 89 HB2 GLN 89 2.064 10.013 14.220 671 HG2 GLN 89 HG3 GLN 89 1.628 8.052 15.638 672 HG3 GLN 89 HG2 GLN 89 3.205 8.246 16.405 673 HE21 GLN 89 HE22 GLN 89 1.084 8.356 18.139 674 HE22 GLN 89 HE21 GLN 89 0.773 9.952 18.626 675 H1 PN7 101 3HO SAT 38 1.872 -5.835 -14.667 676 H2 PN7 101 1H1 SAT 38 -1.047 -5.822 -11.430 677 H3 PN7 101 2H1 SAT 38 -1.914 -6.622 -12.740 678 H5 PN7 101 3HE1 SAT 38 -0.619 -3.547 -11.631 679 H6 PN7 101 1HE1 SAT 38 -2.292 -3.710 -12.161 680 H7 PN7 101 2HE1 SAT 38 -1.167 -2.718 -13.088 681 H8 PN7 101 2HE2 SAT 38 -1.598 -5.832 -15.092 682 H9 PN7 101 3HE2 SAT 38 -1.693 -4.072 -15.169 683 H10 PN7 101 1HE2 SAT 38 -2.848 -4.975 -14.189 684 H11 PN7 101 3H SAT 38 0.629 -3.789 -14.434 685 H12 PN7 101 5H SAT 38 2.097 -2.673 -12.391 686 H13 PN7 101 2H6 SAT 38 4.451 -3.228 -12.661 687 H14 PN7 101 1H6 SAT 38 3.746 -3.525 -14.251 688 H15 PN7 101 1H7 SAT 38 5.091 -5.460 -13.428 689 H16 PN7 101 2H7 SAT 38 3.398 -5.880 -13.695 690 H17 PN7 101 9H SAT 38 2.395 -6.945 -11.806 691 H18 PN7 101 2H10 SAT 38 3.045 -7.853 -9.550 692 H19 PN7 101 1H10 SAT 38 4.709 -7.461 -9.981 693 H20 PN7 101 1H11 SAT 38 3.045 -9.379 -11.619 694 H21 PN7 101 2H11 SAT 38 4.016 -9.916 -10.249 695 H22 PN7 101 2HS1 SAT 38 5.766 -10.048 -12.045 Start of MODEL 11 1 H1 MET 1 H1 MET 1 0.406 14.624 1.151 2 H2 MET 1 H2 MET 1 0.169 12.942 1.182 3 H3 MET 1 H3 MET 1 0.052 13.846 2.616 4 HA MET 1 HA MET 1 -1.763 15.060 1.006 5 HB2 MET 1 HB3 MET 1 -1.977 12.052 0.672 6 HB3 MET 1 HB2 MET 1 -3.096 13.261 0.043 7 HG2 MET 1 HG3 MET 1 -1.178 14.238 -1.270 8 HG3 MET 1 HG2 MET 1 -0.206 12.857 -0.761 9 HE1 MET 1 HE1 MET 1 -4.163 12.977 -1.957 10 HE2 MET 1 HE2 MET 1 -3.694 13.091 -3.651 11 HE3 MET 1 HE3 MET 1 -3.105 14.282 -2.484 12 H GLN 2 H GLN 2 -3.546 12.476 1.780 13 HA GLN 2 HA GLN 2 -4.056 13.496 4.519 14 HB2 GLN 2 HB3 GLN 2 -5.593 11.513 2.807 15 HB3 GLN 2 HB2 GLN 2 -6.110 12.111 4.384 16 HG2 GLN 2 HG3 GLN 2 -6.147 14.414 3.509 17 HG3 GLN 2 HG2 GLN 2 -5.616 13.826 1.933 18 HE21 GLN 2 HE22 GLN 2 -8.107 15.191 2.201 19 HE22 GLN 2 HE21 GLN 2 -9.363 14.086 1.918 20 H HIS 3 H HIS 3 -3.135 12.427 6.216 21 HA HIS 3 HA HIS 3 -1.971 10.734 7.371 22 HB2 HIS 3 HB3 HIS 3 -3.952 8.985 5.879 23 HB3 HIS 3 HB2 HIS 3 -3.097 8.563 7.362 24 HD1 HIS 3 HD1 HIS 3 -5.918 10.660 6.059 25 HD2 HIS 3 HD2 HIS 3 -4.071 9.869 9.714 26 HE1 HIS 3 HE1 HIS 3 -7.429 11.625 7.851 27 HE2 HIS 3 HE2 HIS 3 -6.314 11.148 10.079 28 H ALA 4 H ALA 4 -0.879 11.531 4.803 29 HA ALA 4 HA ALA 4 -0.156 9.341 3.144 30 HB1 ALA 4 HB1 ALA 4 2.033 10.990 3.005 31 HB2 ALA 4 HB2 ALA 4 0.792 12.094 3.599 32 HB3 ALA 4 HB3 ALA 4 0.546 11.224 2.085 33 H SER 5 H SER 5 1.271 10.551 6.153 34 HA SER 5 HA SER 5 3.678 9.042 6.093 35 HB2 SER 5 HB3 SER 5 2.025 9.749 8.532 36 HB3 SER 5 HB2 SER 5 3.741 9.355 8.511 37 HG SER 5 HG SER 5 4.107 11.210 7.296 38 H VAL 6 H VAL 6 0.416 8.160 7.164 39 HA VAL 6 HA VAL 6 1.120 5.617 8.278 40 HB VAL 6 HB VAL 6 -1.462 6.610 7.066 41 HG11 VAL 6 HG11 VAL 6 -0.817 4.054 8.557 42 HG12 VAL 6 HG12 VAL 6 -1.506 4.204 6.940 43 HG13 VAL 6 HG13 VAL 6 -2.458 4.666 8.351 44 HG21 VAL 6 HG21 VAL 6 -2.143 6.894 9.389 45 HG22 VAL 6 HG22 VAL 6 -0.621 7.748 9.135 46 HG23 VAL 6 HG23 VAL 6 -0.629 6.185 9.951 47 H ILE 7 H ILE 7 0.227 6.632 5.012 48 HA ILE 7 HA ILE 7 -0.021 4.063 3.837 49 HB ILE 7 HB ILE 7 1.045 6.608 2.584 50 HG12 ILE 7 HG13 ILE 7 -1.781 5.503 2.665 51 HG13 ILE 7 HG12 ILE 7 -1.196 6.801 3.706 52 HG21 ILE 7 HG21 ILE 7 -0.246 4.153 1.349 53 HG22 ILE 7 HG22 ILE 7 1.465 4.565 1.245 54 HG23 ILE 7 HG23 ILE 7 0.261 5.599 0.476 55 HD11 ILE 7 HD11 ILE 7 -0.417 7.623 1.176 56 HD12 ILE 7 HD12 ILE 7 -1.828 8.210 2.056 57 HD13 ILE 7 HD13 ILE 7 -1.997 6.895 0.893 58 H ALA 8 H ALA 8 2.859 6.147 4.171 59 HA ALA 8 HA ALA 8 4.662 4.354 2.857 60 HB1 ALA 8 HB1 ALA 8 6.424 5.591 4.201 61 HB2 ALA 8 HB2 ALA 8 5.107 6.474 4.972 62 HB3 ALA 8 HB3 ALA 8 5.369 6.622 3.234 63 H GLN 9 H GLN 9 3.843 4.776 6.291 64 HA GLN 9 HA GLN 9 5.540 2.626 7.178 65 HB2 GLN 9 HB3 GLN 9 4.923 3.273 9.262 66 HB3 GLN 9 HB2 GLN 9 4.199 4.649 8.439 67 HG2 GLN 9 HG3 GLN 9 2.477 3.803 9.825 68 HG3 GLN 9 HG2 GLN 9 2.091 3.191 8.222 69 HE21 GLN 9 HE22 GLN 9 1.104 1.192 8.793 70 HE22 GLN 9 HE21 GLN 9 1.902 -0.031 9.659 71 H PHE 10 H PHE 10 2.208 2.816 6.081 72 HA PHE 10 HA PHE 10 1.290 0.290 6.988 73 HB2 PHE 10 HB3 PHE 10 -0.109 2.089 5.932 74 HB3 PHE 10 HB2 PHE 10 0.589 1.655 4.374 75 HD1 PHE 10 HD2 PHE 10 -1.632 0.582 7.103 76 HD2 PHE 10 HD1 PHE 10 0.008 -0.444 3.270 77 HE1 PHE 10 HE2 PHE 10 -3.334 -1.204 6.854 78 HE2 PHE 10 HE1 PHE 10 -1.695 -2.231 3.020 79 HZ PHE 10 HZ PHE 10 -3.364 -2.609 4.814 80 H VAL 11 H VAL 11 2.723 1.116 3.811 81 HA VAL 11 HA VAL 11 2.893 -1.683 3.045 82 HB VAL 11 HB VAL 11 2.736 0.355 1.480 83 HG11 VAL 11 HG11 VAL 11 4.705 1.484 2.664 84 HG12 VAL 11 HG12 VAL 11 4.757 1.480 0.901 85 HG13 VAL 11 HG13 VAL 11 5.740 0.336 1.815 86 HG21 VAL 11 HG21 VAL 11 4.234 -2.150 1.242 87 HG22 VAL 11 HG22 VAL 11 4.787 -0.921 0.104 88 HG23 VAL 11 HG23 VAL 11 3.094 -1.416 0.114 89 H VAL 12 H VAL 12 5.212 0.728 4.257 90 HA VAL 12 HA VAL 12 7.528 -0.931 4.044 91 HB VAL 12 HB VAL 12 6.985 1.307 6.000 92 HG11 VAL 12 HG11 VAL 12 9.607 0.186 4.974 93 HG12 VAL 12 HG12 VAL 12 8.930 -0.154 6.563 94 HG13 VAL 12 HG13 VAL 12 9.413 1.487 6.148 95 HG21 VAL 12 HG21 VAL 12 7.603 2.813 4.367 96 HG22 VAL 12 HG22 VAL 12 6.880 1.579 3.337 97 HG23 VAL 12 HG23 VAL 12 8.630 1.645 3.535 98 H GLU 13 H GLU 13 5.151 -0.544 6.653 99 HA GLU 13 HA GLU 13 6.513 -1.954 8.681 100 HB2 GLU 13 HB3 GLU 13 4.365 -0.758 9.024 101 HB3 GLU 13 HB2 GLU 13 3.545 -2.035 8.134 102 HG2 GLU 13 HG3 GLU 13 4.384 -3.693 9.782 103 HG3 GLU 13 HG2 GLU 13 5.113 -2.373 10.693 104 H GLU 14 H GLU 14 4.779 -3.155 5.872 105 HA GLU 14 HA GLU 14 4.634 -5.894 6.708 106 HB2 GLU 14 HB3 GLU 14 3.358 -4.916 4.785 107 HB3 GLU 14 HB2 GLU 14 4.868 -4.843 3.875 108 HG2 GLU 14 HG3 GLU 14 5.143 -7.297 4.201 109 HG3 GLU 14 HG2 GLU 14 3.572 -7.339 5.003 110 H PHE 15 H PHE 15 7.188 -3.977 5.218 111 HA PHE 15 HA PHE 15 9.026 -6.276 5.648 112 HB2 PHE 15 HB3 PHE 15 10.030 -6.031 3.457 113 HB3 PHE 15 HB2 PHE 15 8.294 -6.250 3.243 114 HD1 PHE 15 HD1 PHE 15 6.832 -4.196 2.906 115 HD2 PHE 15 HD2 PHE 15 11.120 -4.064 2.691 116 HE1 PHE 15 HE1 PHE 15 6.705 -2.039 1.688 117 HE2 PHE 15 HE2 PHE 15 10.993 -1.905 1.478 118 HZ PHE 15 HZ PHE 15 8.786 -0.893 0.975 119 H LEU 16 H LEU 16 8.828 -4.049 7.324 120 HA LEU 16 HA LEU 16 10.786 -2.060 6.508 121 HB2 LEU 16 HB3 LEU 16 10.131 -0.853 8.331 122 HB3 LEU 16 HB2 LEU 16 8.730 -1.893 8.202 123 HG LEU 16 HG LEU 16 11.110 -2.357 10.034 124 HD11 LEU 16 HD11 LEU 16 9.998 -0.741 11.191 125 HD12 LEU 16 HD12 LEU 16 8.957 -2.091 11.642 126 HD13 LEU 16 HD13 LEU 16 8.485 -1.015 10.327 127 HD21 LEU 16 HD21 LEU 16 10.246 -4.405 10.545 128 HD22 LEU 16 HD22 LEU 16 9.399 -4.273 9.008 129 HD23 LEU 16 HD23 LEU 16 8.588 -3.810 10.498 130 HA PRO 17 HA PRO 17 14.211 -4.509 8.046 131 HB2 PRO 17 HB2 PRO 17 16.194 -2.675 7.689 132 HB3 PRO 17 HB3 PRO 17 15.450 -3.539 6.332 133 HG2 PRO 17 HG3 PRO 17 14.953 -0.773 7.311 134 HG3 PRO 17 HG2 PRO 17 15.064 -1.381 5.652 135 HD2 PRO 17 HD3 PRO 17 12.684 -0.876 6.929 136 HD3 PRO 17 HD2 PRO 17 12.871 -2.057 5.616 137 H ASP 18 H ASP 18 16.402 -3.077 9.384 138 HA ASP 18 HA ASP 18 15.210 -2.840 12.027 139 HB2 ASP 18 HB3 ASP 18 18.014 -2.363 11.001 140 HB3 ASP 18 HB2 ASP 18 17.562 -2.271 12.698 141 H VAL 19 H VAL 19 14.872 -0.854 9.586 142 HA VAL 19 HA VAL 19 15.428 1.643 11.143 143 HB VAL 19 HB VAL 19 14.989 1.351 8.158 144 HG11 VAL 19 HG11 VAL 19 16.099 3.655 8.228 145 HG12 VAL 19 HG12 VAL 19 15.821 3.627 9.970 146 HG13 VAL 19 HG13 VAL 19 14.453 3.570 8.858 147 HG21 VAL 19 HG21 VAL 19 17.384 1.528 7.906 148 HG22 VAL 19 HG22 VAL 19 17.079 0.225 9.055 149 HG23 VAL 19 HG23 VAL 19 17.600 1.807 9.634 150 H ALA 20 H ALA 20 13.694 2.960 11.634 151 HA ALA 20 HA ALA 20 11.024 1.920 11.295 152 HB1 ALA 20 HB1 ALA 20 10.635 4.526 12.010 153 HB2 ALA 20 HB2 ALA 20 12.285 4.264 12.575 154 HB3 ALA 20 HB3 ALA 20 10.978 3.232 13.158 155 HA PRO 21 HA PRO 21 10.144 3.403 7.154 156 HB2 PRO 21 HB2 PRO 21 7.512 4.233 8.287 157 HB3 PRO 21 HB3 PRO 21 7.863 3.238 6.862 158 HG2 PRO 21 HG3 PRO 21 6.996 2.190 9.173 159 HG3 PRO 21 HG2 PRO 21 8.092 1.329 8.081 160 HD2 PRO 21 HD3 PRO 21 8.664 2.539 10.723 161 HD3 PRO 21 HD2 PRO 21 9.513 1.240 9.855 162 H ALA 22 H ALA 22 9.439 5.413 9.970 163 HA ALA 22 HA ALA 22 9.079 7.890 8.561 164 HB1 ALA 22 HB1 ALA 22 10.066 8.699 10.955 165 HB2 ALA 22 HB2 ALA 22 9.582 7.053 11.365 166 HB3 ALA 22 HB3 ALA 22 8.393 8.188 10.726 167 H ASP 23 H ASP 23 11.883 6.034 9.429 168 HA ASP 23 HA ASP 23 13.682 8.310 8.774 169 HB2 ASP 23 HB3 ASP 23 14.234 5.568 9.948 170 HB3 ASP 23 HB2 ASP 23 15.485 6.755 9.574 171 H VAL 24 H VAL 24 12.033 6.096 7.094 172 HA VAL 24 HA VAL 24 14.283 5.428 5.250 173 HB VAL 24 HB VAL 24 11.466 4.300 5.348 174 HG11 VAL 24 HG11 VAL 24 13.916 3.724 3.683 175 HG12 VAL 24 HG12 VAL 24 12.264 4.017 3.140 176 HG13 VAL 24 HG13 VAL 24 12.675 2.497 3.935 177 HG21 VAL 24 HG21 VAL 24 14.066 3.493 6.604 178 HG22 VAL 24 HG22 VAL 24 12.966 2.229 6.055 179 HG23 VAL 24 HG23 VAL 24 12.432 3.399 7.261 180 H ASP 25 H ASP 25 14.271 6.266 3.175 181 HA ASP 25 HA ASP 25 12.659 8.575 2.643 182 HB2 ASP 25 HB3 ASP 25 14.331 6.848 0.795 183 HB3 ASP 25 HB2 ASP 25 13.608 8.387 0.325 184 H VAL 26 H VAL 26 10.455 8.069 2.725 185 HA VAL 26 HA VAL 26 9.228 5.800 1.503 186 HB VAL 26 HB VAL 26 7.152 6.936 1.838 187 HG11 VAL 26 HG11 VAL 26 7.337 7.684 4.122 188 HG12 VAL 26 HG12 VAL 26 9.037 8.099 3.905 189 HG13 VAL 26 HG13 VAL 26 8.535 6.409 3.895 190 HG21 VAL 26 HG21 VAL 26 8.864 9.408 1.613 191 HG22 VAL 26 HG22 VAL 26 7.294 9.475 2.413 192 HG23 VAL 26 HG23 VAL 26 7.401 8.996 0.719 193 H ASP 27 H ASP 27 11.014 8.031 -0.048 194 HA ASP 27 HA ASP 27 9.241 8.382 -2.388 195 HB2 ASP 27 HB3 ASP 27 12.064 9.328 -1.809 196 HB3 ASP 27 HB2 ASP 27 11.188 9.680 -3.299 197 H LEU 28 H LEU 28 10.746 5.812 -1.324 198 HA LEU 28 HA LEU 28 12.369 5.113 -3.674 199 HB2 LEU 28 HB3 LEU 28 12.965 4.339 -1.375 200 HB3 LEU 28 HB2 LEU 28 11.491 3.374 -1.354 201 HG LEU 28 HG LEU 28 12.298 2.222 -3.442 202 HD11 LEU 28 HD11 LEU 28 13.877 3.584 -4.461 203 HD12 LEU 28 HD12 LEU 28 14.935 2.472 -3.594 204 HD13 LEU 28 HD13 LEU 28 14.602 4.070 -2.928 205 HD21 LEU 28 HD21 LEU 28 13.311 1.988 -0.728 206 HD22 LEU 28 HD22 LEU 28 14.498 1.411 -1.899 207 HD23 LEU 28 HD23 LEU 28 12.879 0.713 -1.868 208 H ASP 29 H ASP 29 11.667 3.928 -5.391 209 HA ASP 29 HA ASP 29 8.867 3.549 -5.817 210 HB2 ASP 29 HB3 ASP 29 11.263 2.322 -7.214 211 HB3 ASP 29 HB2 ASP 29 9.602 2.181 -7.790 212 H LEU 30 H LEU 30 7.590 1.988 -4.967 213 HA LEU 30 HA LEU 30 8.601 -0.088 -3.298 214 HB2 LEU 30 HB3 LEU 30 5.919 0.008 -4.718 215 HB3 LEU 30 HB2 LEU 30 6.314 -0.974 -3.308 216 HG LEU 30 HG LEU 30 6.296 2.055 -3.432 217 HD11 LEU 30 HD11 LEU 30 4.236 0.172 -2.994 218 HD12 LEU 30 HD12 LEU 30 4.169 1.910 -2.704 219 HD13 LEU 30 HD13 LEU 30 4.649 0.817 -1.405 220 HD21 LEU 30 HD21 LEU 30 7.964 1.647 -1.866 221 HD22 LEU 30 HD22 LEU 30 7.303 0.075 -1.420 222 HD23 LEU 30 HD23 LEU 30 6.539 1.551 -0.832 223 H VAL 31 H VAL 31 8.813 0.170 -6.613 224 HA VAL 31 HA VAL 31 8.138 -2.341 -7.641 225 HB VAL 31 HB VAL 31 10.508 -0.565 -8.269 226 HG11 VAL 31 HG11 VAL 31 9.799 -3.273 -9.231 227 HG12 VAL 31 HG12 VAL 31 11.355 -2.442 -9.251 228 HG13 VAL 31 HG13 VAL 31 10.154 -2.098 -10.496 229 HG21 VAL 31 HG21 VAL 31 7.758 -1.003 -9.441 230 HG22 VAL 31 HG22 VAL 31 9.057 -0.284 -10.392 231 HG23 VAL 31 HG23 VAL 31 8.500 0.508 -8.917 232 H ASP 32 H ASP 32 11.086 -1.417 -5.879 233 HA ASP 32 HA ASP 32 12.452 -3.896 -6.087 234 HB2 ASP 32 HB3 ASP 32 12.360 -1.914 -3.788 235 HB3 ASP 32 HB2 ASP 32 13.498 -3.258 -3.886 236 H ASN 33 H ASN 33 9.948 -2.789 -3.857 237 HA ASN 33 HA ASN 33 9.769 -5.466 -2.619 238 HB2 ASN 33 HB3 ASN 33 8.183 -2.942 -2.093 239 HB3 ASN 33 HB2 ASN 33 8.108 -4.418 -1.135 240 HD21 ASN 33 HD22 ASN 33 9.887 -1.482 -1.650 241 HD22 ASN 33 HD21 ASN 33 11.119 -1.783 -0.523 242 H GLY 34 H GLY 34 8.953 -4.425 -5.462 243 HA2 GLY 34 HA3 GLY 34 6.250 -4.441 -5.948 244 HA3 GLY 34 HA2 GLY 34 7.388 -5.259 -7.018 245 H VAL 35 H VAL 35 8.049 -7.015 -4.522 246 HA VAL 35 HA VAL 35 6.563 -9.286 -5.247 247 HB VAL 35 HB VAL 35 8.565 -9.089 -3.617 248 HG11 VAL 35 HG11 VAL 35 7.136 -7.496 -2.162 249 HG12 VAL 35 HG12 VAL 35 8.095 -8.724 -1.335 250 HG13 VAL 35 HG13 VAL 35 6.363 -8.964 -1.567 251 HG21 VAL 35 HG21 VAL 35 7.389 -11.211 -4.172 252 HG22 VAL 35 HG22 VAL 35 6.220 -10.879 -2.893 253 HG23 VAL 35 HG23 VAL 35 7.911 -11.173 -2.488 254 H ILE 36 H ILE 36 5.750 -6.643 -3.090 255 HA ILE 36 HA ILE 36 3.359 -7.833 -1.994 256 HB ILE 36 HB ILE 36 4.758 -5.750 -1.199 257 HG12 ILE 36 HG13 ILE 36 1.722 -5.812 -1.170 258 HG13 ILE 36 HG12 ILE 36 2.787 -6.624 -0.026 259 HG21 ILE 36 HG21 ILE 36 4.080 -3.654 -2.043 260 HG22 ILE 36 HG22 ILE 36 2.625 -4.323 -2.784 261 HG23 ILE 36 HG23 ILE 36 4.207 -4.650 -3.493 262 HD11 ILE 36 HD11 ILE 36 2.582 -3.629 -0.449 263 HD12 ILE 36 HD12 ILE 36 3.715 -4.419 0.648 264 HD13 ILE 36 HD13 ILE 36 1.980 -4.524 0.945 265 H ASP 37 H ASP 37 4.113 -6.157 -4.931 266 HA ASP 37 HA ASP 37 1.672 -5.022 -5.652 267 HB2 ASP 37 HB3 ASP 37 3.678 -6.420 -7.432 268 HB3 ASP 37 HB2 ASP 37 2.376 -5.387 -8.014 269 H SER 38 H SER 38 2.569 -8.466 -5.930 270 HA SER 38 HA SER 38 -0.220 -8.949 -6.896 271 HB2 SER 38 2HB SER 38 1.817 -9.598 -8.350 272 HB3 SER 38 1HB SER 38 2.029 -10.918 -7.203 273 H LEU 39 H LEU 39 2.266 -10.877 -5.176 274 HA LEU 39 HA LEU 39 0.346 -12.552 -3.914 275 HB2 LEU 39 HB3 LEU 39 3.171 -11.872 -3.100 276 HB3 LEU 39 HB2 LEU 39 2.218 -13.158 -2.367 277 HG LEU 39 HG LEU 39 1.940 -13.692 -5.053 278 HD11 LEU 39 HD11 LEU 39 4.754 -12.690 -4.540 279 HD12 LEU 39 HD12 LEU 39 3.590 -11.996 -5.668 280 HD13 LEU 39 HD13 LEU 39 4.255 -13.602 -5.964 281 HD21 LEU 39 HD21 LEU 39 3.478 -15.551 -4.615 282 HD22 LEU 39 HD22 LEU 39 2.452 -15.282 -3.206 283 HD23 LEU 39 HD23 LEU 39 4.120 -14.710 -3.204 284 H GLY 40 H GLY 40 2.162 -9.805 -2.553 285 HA2 GLY 40 HA3 GLY 40 0.687 -9.848 -0.073 286 HA3 GLY 40 HA2 GLY 40 1.721 -8.538 -0.629 287 H LEU 41 H LEU 41 0.392 -8.056 -3.109 288 HA LEU 41 HA LEU 41 -1.595 -6.202 -2.294 289 HB2 LEU 41 HB3 LEU 41 -0.411 -6.115 -4.481 290 HB3 LEU 41 HB2 LEU 41 -1.307 -7.541 -4.998 291 HG LEU 41 HG LEU 41 -3.432 -6.254 -4.573 292 HD11 LEU 41 HD11 LEU 41 -2.942 -3.677 -4.673 293 HD12 LEU 41 HD12 LEU 41 -1.391 -4.138 -3.974 294 HD13 LEU 41 HD13 LEU 41 -2.888 -4.512 -3.122 295 HD21 LEU 41 HD21 LEU 41 -2.491 -6.493 -6.836 296 HD22 LEU 41 HD22 LEU 41 -1.483 -5.070 -6.571 297 HD23 LEU 41 HD23 LEU 41 -3.239 -4.908 -6.637 298 H LEU 42 H LEU 42 -1.948 -9.482 -3.644 299 HA LEU 42 HA LEU 42 -4.791 -9.493 -3.694 300 HB2 LEU 42 HB3 LEU 42 -3.291 -11.242 -4.722 301 HB3 LEU 42 HB2 LEU 42 -3.011 -11.873 -3.105 302 HG LEU 42 HG LEU 42 -5.639 -11.892 -2.972 303 HD11 LEU 42 HD11 LEU 42 -6.796 -11.795 -4.941 304 HD12 LEU 42 HD12 LEU 42 -5.485 -12.532 -5.862 305 HD13 LEU 42 HD13 LEU 42 -5.414 -10.822 -5.443 306 HD21 LEU 42 HD21 LEU 42 -3.781 -13.828 -4.332 307 HD22 LEU 42 HD22 LEU 42 -5.506 -14.189 -4.245 308 HD23 LEU 42 HD23 LEU 42 -4.575 -13.969 -2.763 309 H LYS 43 H LYS 43 -2.512 -10.381 -1.103 310 HA LYS 43 HA LYS 43 -4.506 -11.218 0.769 311 HB2 LYS 43 HB3 LYS 43 -1.754 -10.047 1.211 312 HB3 LYS 43 HB2 LYS 43 -2.729 -10.805 2.465 313 HG2 LYS 43 HG3 LYS 43 -2.794 -12.892 1.094 314 HG3 LYS 43 HG2 LYS 43 -1.703 -12.126 -0.061 315 HD2 LYS 43 HD3 LYS 43 -0.051 -11.793 1.785 316 HD3 LYS 43 HD2 LYS 43 -1.124 -12.690 2.861 317 HE2 LYS 43 HE3 LYS 43 -0.335 -13.933 0.250 318 HE3 LYS 43 HE2 LYS 43 0.825 -13.937 1.578 319 HZ1 LYS 43 HZ1 LYS 43 -1.960 -14.804 2.008 320 HZ2 LYS 43 HZ2 LYS 43 -0.575 -15.185 2.909 321 HZ3 LYS 43 HZ3 LYS 43 -0.808 -15.881 1.377 322 H VAL 44 H VAL 44 -3.010 -8.069 0.092 323 HA VAL 44 HA VAL 44 -4.324 -6.681 2.250 324 HB VAL 44 HB VAL 44 -3.134 -5.680 -0.348 325 HG11 VAL 44 HG11 VAL 44 -4.436 -3.862 0.202 326 HG12 VAL 44 HG12 VAL 44 -3.068 -3.537 1.267 327 HG13 VAL 44 HG13 VAL 44 -4.521 -4.306 1.906 328 HG21 VAL 44 HG21 VAL 44 -1.940 -5.154 2.327 329 HG22 VAL 44 HG22 VAL 44 -1.146 -5.494 0.790 330 HG23 VAL 44 HG23 VAL 44 -1.839 -6.812 1.736 331 H ILE 45 H ILE 45 -5.083 -6.918 -1.238 332 HA ILE 45 HA ILE 45 -7.442 -5.320 -1.082 333 HB ILE 45 HB ILE 45 -6.731 -7.537 -3.024 334 HG12 ILE 45 HG13 ILE 45 -5.057 -5.767 -3.056 335 HG13 ILE 45 HG12 ILE 45 -6.062 -5.615 -4.491 336 HG21 ILE 45 HG21 ILE 45 -9.098 -7.072 -3.109 337 HG22 ILE 45 HG22 ILE 45 -8.338 -6.321 -4.511 338 HG23 ILE 45 HG23 ILE 45 -8.801 -5.335 -3.124 339 HD11 ILE 45 HD11 ILE 45 -5.958 -3.883 -2.048 340 HD12 ILE 45 HD12 ILE 45 -7.472 -4.001 -2.946 341 HD13 ILE 45 HD13 ILE 45 -6.016 -3.416 -3.748 342 H ALA 46 H ALA 46 -6.948 -8.837 -0.741 343 HA ALA 46 HA ALA 46 -9.722 -9.509 -0.632 344 HB1 ALA 46 HB1 ALA 46 -7.193 -10.789 0.353 345 HB2 ALA 46 HB2 ALA 46 -8.349 -11.380 -0.841 346 HB3 ALA 46 HB3 ALA 46 -8.744 -11.447 0.877 347 H TRP 47 H TRP 47 -7.422 -8.691 1.983 348 HA TRP 47 HA TRP 47 -9.540 -8.810 3.994 349 HB2 TRP 47 HB3 TRP 47 -7.620 -9.221 5.135 350 HB3 TRP 47 HB2 TRP 47 -6.628 -8.346 3.969 351 HD1 TRP 47 HD1 TRP 47 -9.500 -7.173 6.308 352 HE1 TRP 47 HE1 TRP 47 -8.672 -5.083 7.575 353 HE3 TRP 47 HE3 TRP 47 -4.766 -6.879 4.480 354 HZ2 TRP 47 HZ2 TRP 47 -6.291 -3.501 7.789 355 HZ3 TRP 47 HZ3 TRP 47 -3.225 -5.079 5.225 356 HH2 TRP 47 HH2 TRP 47 -3.984 -3.391 6.876 357 H LEU 48 H LEU 48 -7.600 -6.239 2.490 358 HA LEU 48 HA LEU 48 -8.818 -4.045 3.788 359 HB2 LEU 48 HB3 LEU 48 -6.739 -3.980 2.368 360 HB3 LEU 48 HB2 LEU 48 -7.770 -4.085 0.953 361 HG LEU 48 HG LEU 48 -8.993 -2.046 1.830 362 HD11 LEU 48 HD11 LEU 48 -7.155 -2.512 3.994 363 HD12 LEU 48 HD12 LEU 48 -8.456 -1.328 3.889 364 HD13 LEU 48 HD13 LEU 48 -6.846 -0.925 3.293 365 HD21 LEU 48 HD21 LEU 48 -6.527 -0.765 1.409 366 HD22 LEU 48 HD22 LEU 48 -7.729 -1.166 0.182 367 HD23 LEU 48 HD23 LEU 48 -6.413 -2.289 0.527 368 H GLU 49 H GLU 49 -9.778 -5.704 0.763 369 HA GLU 49 HA GLU 49 -11.888 -3.852 0.167 370 HB2 GLU 49 HB3 GLU 49 -12.603 -5.438 -1.469 371 HB3 GLU 49 HB2 GLU 49 -10.851 -5.535 -1.435 372 HG2 GLU 49 HG3 GLU 49 -11.356 -7.781 -1.304 373 HG3 GLU 49 HG2 GLU 49 -11.367 -7.379 0.409 374 H ASP 50 H ASP 50 -11.765 -6.856 2.042 375 HA ASP 50 HA ASP 50 -14.586 -7.079 2.487 376 HB2 ASP 50 HB3 ASP 50 -12.857 -8.862 2.951 377 HB3 ASP 50 HB2 ASP 50 -12.384 -7.931 4.371 378 H ARG 51 H ARG 51 -12.002 -5.376 4.184 379 HA ARG 51 HA ARG 51 -13.468 -4.555 6.469 380 HB2 ARG 51 HB3 ARG 51 -10.987 -4.331 6.142 381 HB3 ARG 51 HB2 ARG 51 -11.301 -2.981 5.051 382 HG2 ARG 51 HG3 ARG 51 -12.394 -1.737 6.835 383 HG3 ARG 51 HG2 ARG 51 -12.234 -3.107 7.933 384 HD2 ARG 51 HD3 ARG 51 -10.451 -1.559 8.437 385 HD3 ARG 51 HD2 ARG 51 -9.735 -2.952 7.629 386 HE ARG 51 HE ARG 51 -10.354 -1.059 5.621 387 HH11 ARG 51 HH22 ARG 51 -8.379 -1.422 8.422 388 HH12 ARG 51 HH21 ARG 51 -7.131 -0.370 7.843 389 HH21 ARG 51 HH11 ARG 51 -8.736 0.319 4.847 390 HH22 ARG 51 HH12 ARG 51 -7.333 0.615 5.819 391 H PHE 52 H PHE 52 -13.188 -3.042 3.246 392 HA PHE 52 HA PHE 52 -15.245 -1.061 4.104 393 HB2 PHE 52 HB3 PHE 52 -13.069 -1.012 2.030 394 HB3 PHE 52 HB2 PHE 52 -14.465 0.052 1.875 395 HD1 PHE 52 HD1 PHE 52 -14.975 1.730 3.625 396 HD2 PHE 52 HD2 PHE 52 -11.426 -0.686 3.778 397 HE1 PHE 52 HE1 PHE 52 -14.010 3.256 5.324 398 HE2 PHE 52 HE2 PHE 52 -10.461 0.843 5.476 399 HZ PHE 52 HZ PHE 52 -11.755 2.811 6.252 400 H GLY 53 H GLY 53 -15.048 -3.968 2.537 401 HA2 GLY 53 HA3 GLY 53 -16.636 -5.108 1.231 402 HA3 GLY 53 HA2 GLY 53 -17.711 -3.729 1.460 403 H ILE 54 H ILE 54 -14.476 -3.695 -0.016 404 HA ILE 54 HA ILE 54 -15.607 -2.303 -2.350 405 HB ILE 54 HB ILE 54 -12.751 -3.182 -1.830 406 HG12 ILE 54 HG13 ILE 54 -14.038 -0.479 -1.341 407 HG13 ILE 54 HG12 ILE 54 -13.728 -1.662 -0.070 408 HG21 ILE 54 HG21 ILE 54 -13.179 -2.662 -4.173 409 HG22 ILE 54 HG22 ILE 54 -12.257 -1.343 -3.451 410 HG23 ILE 54 HG23 ILE 54 -13.990 -1.162 -3.722 411 HD11 ILE 54 HD11 ILE 54 -11.487 -1.258 -0.063 412 HD12 ILE 54 HD12 ILE 54 -11.948 0.269 -0.816 413 HD13 ILE 54 HD13 ILE 54 -11.415 -1.082 -1.816 414 H ALA 55 H ALA 55 -15.668 -3.164 -4.465 415 HA ALA 55 HA ALA 55 -15.831 -6.074 -4.612 416 HB1 ALA 55 HB1 ALA 55 -16.817 -5.757 -6.696 417 HB2 ALA 55 HB2 ALA 55 -15.855 -4.321 -7.046 418 HB3 ALA 55 HB3 ALA 55 -17.201 -4.226 -5.910 419 H ALA 56 H ALA 56 -14.137 -7.380 -5.040 420 HA ALA 56 HA ALA 56 -11.539 -6.319 -5.771 421 HB1 ALA 56 HB1 ALA 56 -12.002 -9.214 -6.138 422 HB2 ALA 56 HB2 ALA 56 -12.380 -8.604 -4.527 423 HB3 ALA 56 HB3 ALA 56 -10.763 -8.382 -5.197 424 H ASP 57 H ASP 57 -14.285 -7.420 -7.539 425 HA ASP 57 HA ASP 57 -13.190 -8.464 -9.890 426 HB2 ASP 57 HB3 ASP 57 -15.559 -6.625 -9.530 427 HB3 ASP 57 HB2 ASP 57 -15.188 -7.450 -11.042 428 H ASP 58 H ASP 58 -13.384 -5.080 -8.863 429 HA ASP 58 HA ASP 58 -12.614 -3.900 -11.340 430 HB2 ASP 58 HB3 ASP 58 -12.119 -2.995 -8.499 431 HB3 ASP 58 HB2 ASP 58 -11.826 -1.993 -9.918 432 H VAL 59 H VAL 59 -10.631 -3.689 -12.317 433 HA VAL 59 HA VAL 59 -8.189 -4.366 -10.776 434 HB VAL 59 HB VAL 59 -8.839 -6.497 -11.751 435 HG11 VAL 59 HG11 VAL 59 -10.346 -5.823 -13.481 436 HG12 VAL 59 HG12 VAL 59 -9.001 -6.627 -14.292 437 HG13 VAL 59 HG13 VAL 59 -9.101 -4.866 -14.285 438 HG21 VAL 59 HG21 VAL 59 -6.750 -6.981 -12.524 439 HG22 VAL 59 HG22 VAL 59 -6.403 -5.303 -12.105 440 HG23 VAL 59 HG23 VAL 59 -6.816 -5.730 -13.766 441 H GLU 60 H GLU 60 -9.339 -1.915 -11.947 442 HA GLU 60 HA GLU 60 -8.046 -1.221 -14.398 443 HB2 GLU 60 HB3 GLU 60 -8.921 0.529 -12.084 444 HB3 GLU 60 HB2 GLU 60 -8.441 1.131 -13.665 445 HG2 GLU 60 HG3 GLU 60 -10.237 -0.224 -14.698 446 HG3 GLU 60 HG2 GLU 60 -10.745 -0.737 -13.094 447 H LEU 61 H LEU 61 -6.858 -1.483 -11.142 448 HA LEU 61 HA LEU 61 -4.589 0.268 -11.424 449 HB2 LEU 61 HB3 LEU 61 -5.084 -2.093 -9.593 450 HB3 LEU 61 HB2 LEU 61 -3.685 -1.033 -9.467 451 HG LEU 61 HG LEU 61 -5.331 0.903 -9.311 452 HD11 LEU 61 HD11 LEU 61 -7.207 -1.444 -9.184 453 HD12 LEU 61 HD12 LEU 61 -7.394 0.084 -10.044 454 HD13 LEU 61 HD13 LEU 61 -7.582 0.029 -8.293 455 HD21 LEU 61 HD21 LEU 61 -6.075 -0.230 -6.887 456 HD22 LEU 61 HD22 LEU 61 -4.572 0.641 -7.196 457 HD23 LEU 61 HD23 LEU 61 -4.614 -1.117 -7.323 458 H SER 62 H SER 62 -2.523 -0.170 -12.138 459 HA SER 62 HA SER 62 -2.020 -2.877 -13.288 460 HB2 SER 62 HB3 SER 62 -0.446 -1.023 -14.689 461 HB3 SER 62 HB2 SER 62 -1.890 -1.836 -15.283 462 HG SER 62 HG SER 62 -2.887 0.008 -13.878 463 HA PRO 63 HA PRO 63 1.777 -3.167 -11.070 464 HB2 PRO 63 HB2 PRO 63 3.654 -3.267 -13.194 465 HB3 PRO 63 HB3 PRO 63 2.894 -4.646 -12.385 466 HG2 PRO 63 HG3 PRO 63 2.253 -3.389 -14.969 467 HG3 PRO 63 HG2 PRO 63 1.990 -5.051 -14.419 468 HD2 PRO 63 HD3 PRO 63 -0.040 -3.255 -14.685 469 HD3 PRO 63 HD2 PRO 63 -0.068 -4.558 -13.480 470 H GLU 64 H GLU 64 1.700 -0.833 -13.706 471 HA GLU 64 HA GLU 64 3.964 0.728 -12.861 472 HB2 GLU 64 HB3 GLU 64 1.523 1.497 -14.468 473 HB3 GLU 64 HB2 GLU 64 2.949 2.506 -14.284 474 HG2 GLU 64 HG3 GLU 64 4.323 0.693 -15.262 475 HG3 GLU 64 HG2 GLU 64 2.861 -0.254 -15.509 476 H HIS 65 H HIS 65 0.640 0.537 -11.831 477 HA HIS 65 HA HIS 65 0.488 3.096 -10.520 478 HB2 HIS 65 HB3 HIS 65 -1.542 1.857 -11.012 479 HB3 HIS 65 HB2 HIS 65 -0.999 0.501 -10.026 480 HD1 HIS 65 HD1 HIS 65 -1.697 0.532 -7.633 481 HD2 HIS 65 HD2 HIS 65 -1.898 4.330 -9.345 482 HE1 HIS 65 HE1 HIS 65 -2.708 2.056 -5.880 483 HE2 HIS 65 HE2 HIS 65 -2.827 4.370 -6.909 484 H PHE 66 H PHE 66 1.882 0.025 -9.635 485 HA PHE 66 HA PHE 66 2.196 0.848 -6.812 486 HB2 PHE 66 HB3 PHE 66 3.061 -1.656 -8.294 487 HB3 PHE 66 HB2 PHE 66 3.229 -1.402 -6.557 488 HD1 PHE 66 HD2 PHE 66 1.249 -1.283 -5.095 489 HD2 PHE 66 HD1 PHE 66 0.887 -2.036 -9.307 490 HE1 PHE 66 HE2 PHE 66 -1.097 -2.016 -4.764 491 HE2 PHE 66 HE1 PHE 66 -1.457 -2.771 -8.977 492 HZ PHE 66 HZ PHE 66 -2.450 -2.760 -6.707 493 H ARG 67 H ARG 67 3.634 1.862 -9.451 494 HA ARG 67 HA ARG 67 6.391 1.320 -9.275 495 HB2 ARG 67 HB3 ARG 67 5.310 2.612 -11.107 496 HB3 ARG 67 HB2 ARG 67 5.077 3.959 -10.000 497 HG2 ARG 67 HG3 ARG 67 7.052 4.537 -11.134 498 HG3 ARG 67 HG2 ARG 67 7.652 3.811 -9.649 499 HD2 ARG 67 HD3 ARG 67 7.977 1.665 -10.811 500 HD3 ARG 67 HD2 ARG 67 7.344 2.369 -12.297 501 HE ARG 67 HE ARG 67 10.004 2.855 -11.146 502 HH11 ARG 67 HH22 ARG 67 7.481 3.830 -13.283 503 HH12 ARG 67 HH21 ARG 67 8.524 4.768 -14.300 504 HH21 ARG 67 HH11 ARG 67 11.380 4.073 -12.461 505 HH22 ARG 67 HH12 ARG 67 10.731 4.905 -13.834 506 H SER 68 H SER 68 4.448 3.686 -7.453 507 HA SER 68 HA SER 68 6.626 3.802 -5.456 508 HB2 SER 68 HB3 SER 68 6.794 6.209 -5.484 509 HB3 SER 68 HB2 SER 68 7.044 5.637 -7.131 510 HG SER 68 HG SER 68 4.578 6.545 -6.046 511 H ILE 69 H ILE 69 5.918 4.816 -3.429 512 HA ILE 69 HA ILE 69 3.296 4.022 -2.637 513 HB ILE 69 HB ILE 69 5.223 5.954 -1.317 514 HG12 ILE 69 HG13 ILE 69 4.783 3.013 -0.800 515 HG13 ILE 69 HG12 ILE 69 6.087 3.640 -1.797 516 HG21 ILE 69 HG21 ILE 69 3.656 4.470 0.515 517 HG22 ILE 69 HG22 ILE 69 2.554 5.162 -0.674 518 HG23 ILE 69 HG23 ILE 69 3.637 6.211 0.241 519 HD11 ILE 69 HD11 ILE 69 6.035 3.378 1.033 520 HD12 ILE 69 HD12 ILE 69 6.036 5.103 0.666 521 HD13 ILE 69 HD13 ILE 69 7.317 4.067 0.036 522 H ARG 70 H ARG 70 4.637 7.150 -3.637 523 HA ARG 70 HA ARG 70 2.446 8.785 -2.865 524 HB2 ARG 70 HB3 ARG 70 4.657 9.636 -3.650 525 HB3 ARG 70 HB2 ARG 70 4.232 9.141 -5.288 526 HG2 ARG 70 HG3 ARG 70 2.254 10.621 -5.222 527 HG3 ARG 70 HG2 ARG 70 2.693 11.128 -3.591 528 HD2 ARG 70 HD3 ARG 70 3.528 12.805 -5.108 529 HD3 ARG 70 HD2 ARG 70 4.917 11.889 -4.524 530 HE ARG 70 HE ARG 70 4.018 10.652 -6.915 531 HH11 ARG 70 HH22 ARG 70 5.370 13.606 -5.761 532 HH12 ARG 70 HH21 ARG 70 6.193 13.962 -7.243 533 HH21 ARG 70 HH11 ARG 70 5.084 11.100 -8.856 534 HH22 ARG 70 HH12 ARG 70 6.031 12.544 -8.995 535 H SER 71 H SER 71 2.997 6.959 -5.883 536 HA SER 71 HA SER 71 0.689 7.940 -7.250 537 HB2 SER 71 HB3 SER 71 0.997 6.059 -8.736 538 HB3 SER 71 HB2 SER 71 2.590 6.653 -8.286 539 HG SER 71 HG SER 71 2.800 4.571 -7.844 540 H ILE 72 H ILE 72 1.155 5.229 -5.008 541 HA ILE 72 HA ILE 72 -1.476 4.130 -5.324 542 HB ILE 72 HB ILE 72 0.422 3.983 -2.965 543 HG12 ILE 72 HG13 ILE 72 0.022 2.065 -5.283 544 HG13 ILE 72 HG12 ILE 72 1.366 3.200 -5.153 545 HG21 ILE 72 HG21 ILE 72 -1.111 1.645 -3.223 546 HG22 ILE 72 HG22 ILE 72 -2.248 2.975 -3.438 547 HG23 ILE 72 HG23 ILE 72 -1.267 2.882 -1.976 548 HD11 ILE 72 HD11 ILE 72 2.260 1.214 -4.262 549 HD12 ILE 72 HD12 ILE 72 0.758 0.801 -3.436 550 HD13 ILE 72 HD13 ILE 72 1.768 2.112 -2.826 551 H ASP 73 H ASP 73 -0.087 6.536 -3.124 552 HA ASP 73 HA ASP 73 -2.310 6.817 -1.383 553 HB2 ASP 73 HB3 ASP 73 -0.023 7.823 -1.065 554 HB3 ASP 73 HB2 ASP 73 -0.447 9.030 -2.280 555 H ALA 74 H ALA 74 -1.589 8.458 -4.469 556 HA ALA 74 HA ALA 74 -3.865 10.202 -4.364 557 HB1 ALA 74 HB1 ALA 74 -2.483 9.158 -6.848 558 HB2 ALA 74 HB2 ALA 74 -1.874 10.496 -5.874 559 HB3 ALA 74 HB3 ALA 74 -3.424 10.642 -6.702 560 H PHE 75 H PHE 75 -3.402 7.014 -5.889 561 HA PHE 75 HA PHE 75 -5.980 6.883 -7.097 562 HB2 PHE 75 HB3 PHE 75 -4.114 5.321 -7.605 563 HB3 PHE 75 HB2 PHE 75 -4.334 4.589 -6.017 564 HD1 PHE 75 HD1 PHE 75 -5.894 5.143 -9.328 565 HD2 PHE 75 HD2 PHE 75 -6.191 3.124 -5.549 566 HE1 PHE 75 HE1 PHE 75 -7.697 3.705 -10.238 567 HE2 PHE 75 HE2 PHE 75 -7.994 1.685 -6.459 568 HZ PHE 75 HZ PHE 75 -8.747 1.976 -8.804 569 H VAL 76 H VAL 76 -4.866 5.613 -3.937 570 HA VAL 76 HA VAL 76 -7.463 4.703 -3.146 571 HB VAL 76 HB VAL 76 -5.023 5.466 -1.518 572 HG11 VAL 76 HG11 VAL 76 -7.729 4.447 -0.778 573 HG12 VAL 76 HG12 VAL 76 -6.654 5.526 0.110 574 HG13 VAL 76 HG13 VAL 76 -6.338 3.792 0.083 575 HG21 VAL 76 HG21 VAL 76 -4.337 3.285 -1.765 576 HG22 VAL 76 HG22 VAL 76 -5.259 3.417 -3.263 577 HG23 VAL 76 HG23 VAL 76 -5.987 2.667 -1.842 578 H VAL 77 H VAL 77 -5.670 7.737 -2.470 579 HA VAL 77 HA VAL 77 -7.630 8.910 -0.786 580 HB VAL 77 HB VAL 77 -5.590 10.097 -2.676 581 HG11 VAL 77 HG11 VAL 77 -6.189 12.146 -1.039 582 HG12 VAL 77 HG12 VAL 77 -7.773 11.374 -1.115 583 HG13 VAL 77 HG13 VAL 77 -6.983 11.914 -2.596 584 HG21 VAL 77 HG21 VAL 77 -4.309 10.461 -0.714 585 HG22 VAL 77 HG22 VAL 77 -4.989 8.849 -0.487 586 HG23 VAL 77 HG23 VAL 77 -5.704 10.233 0.341 587 H GLY 78 H GLY 78 -7.294 8.886 -4.314 588 HA2 GLY 78 HA3 GLY 78 -9.359 10.716 -4.939 589 HA3 GLY 78 HA2 GLY 78 -8.850 9.394 -5.987 590 H ALA 79 H ALA 79 -9.533 7.303 -4.001 591 HA ALA 79 HA ALA 79 -12.484 7.399 -4.407 592 HB1 ALA 79 HB1 ALA 79 -10.710 5.015 -3.828 593 HB2 ALA 79 HB2 ALA 79 -11.245 5.505 -5.436 594 HB3 ALA 79 HB3 ALA 79 -12.424 4.965 -4.241 595 H THR 80 H THR 80 -10.109 6.306 -1.971 596 HA THR 80 HA THR 80 -11.837 7.352 0.159 597 HB THR 80 HB THR 80 -12.681 5.011 -0.397 598 HG1 THR 80 HG1 THR 80 -11.761 4.752 2.155 599 HG21 THR 80 HG21 THR 80 -10.021 4.376 -0.482 600 HG22 THR 80 HG22 THR 80 -11.318 3.200 -0.271 601 HG23 THR 80 HG23 THR 80 -10.459 3.827 1.135 602 H THR 81 H THR 81 -10.688 7.557 2.155 603 HA THR 81 HA THR 81 -7.789 6.863 2.018 604 HB THR 81 HB THR 81 -7.882 9.206 1.587 605 HG1 THR 81 HG1 THR 81 -6.705 8.275 3.621 606 HG21 THR 81 HG21 THR 81 -9.883 10.150 2.072 607 HG22 THR 81 HG22 THR 81 -9.173 10.473 3.654 608 HG23 THR 81 HG23 THR 81 -10.182 9.047 3.415 609 HA PRO 82 HA PRO 82 -9.472 5.337 6.005 610 HB2 PRO 82 HB2 PRO 82 -8.646 2.797 5.816 611 HB3 PRO 82 HB3 PRO 82 -10.036 3.382 4.880 612 HG2 PRO 82 HG3 PRO 82 -7.263 2.822 3.991 613 HG3 PRO 82 HG2 PRO 82 -8.795 2.616 3.125 614 HD2 PRO 82 HD3 PRO 82 -7.008 4.801 2.868 615 HD3 PRO 82 HD2 PRO 82 -8.664 4.713 2.230 616 HA PRO 83 HA PRO 83 -5.203 5.816 7.625 617 HB2 PRO 83 HB2 PRO 83 -5.851 7.070 9.935 618 HB3 PRO 83 HB3 PRO 83 -5.812 7.920 8.378 619 HG2 PRO 83 HG3 PRO 83 -8.134 6.957 9.950 620 HG3 PRO 83 HG2 PRO 83 -7.973 8.397 8.933 621 HD2 PRO 83 HD3 PRO 83 -9.227 6.010 8.170 622 HD3 PRO 83 HD2 PRO 83 -8.676 7.284 7.063 623 H VAL 84 H VAL 84 -4.130 4.283 8.845 624 HA VAL 84 HA VAL 84 -5.651 2.891 11.003 625 HB VAL 84 HB VAL 84 -5.627 1.490 8.936 626 HG11 VAL 84 HG11 VAL 84 -3.746 1.143 7.734 627 HG12 VAL 84 HG12 VAL 84 -2.788 0.810 9.178 628 HG13 VAL 84 HG13 VAL 84 -3.052 2.475 8.658 629 HG21 VAL 84 HG21 VAL 84 -4.005 0.552 11.318 630 HG22 VAL 84 HG22 VAL 84 -4.570 -0.530 10.045 631 HG23 VAL 84 HG23 VAL 84 -5.734 0.335 11.050 632 H GLU 85 H GLU 85 -4.414 2.420 12.825 633 HA GLU 85 HA GLU 85 -1.995 3.895 13.228 634 HB2 GLU 85 HB3 GLU 85 -3.172 1.582 14.797 635 HB3 GLU 85 HB2 GLU 85 -1.833 2.587 15.352 636 HG2 GLU 85 HG3 GLU 85 -3.289 4.593 15.162 637 HG3 GLU 85 HG2 GLU 85 -4.631 3.550 14.689 638 H ALA 86 H ALA 86 -2.596 0.509 12.362 639 HA ALA 86 HA ALA 86 0.239 0.297 11.539 640 HB1 ALA 86 HB1 ALA 86 -0.415 -0.627 14.013 641 HB2 ALA 86 HB2 ALA 86 0.853 -1.337 13.013 642 HB3 ALA 86 HB3 ALA 86 -0.757 -2.057 13.039 643 H LYS 87 H LYS 87 0.585 -1.487 10.048 644 HA LYS 87 HA LYS 87 -1.527 -1.905 8.201 645 HB2 LYS 87 HB3 LYS 87 0.930 -2.210 7.730 646 HB3 LYS 87 HB2 LYS 87 0.858 -3.727 8.628 647 HG2 LYS 87 HG3 LYS 87 -0.908 -4.535 7.074 648 HG3 LYS 87 HG2 LYS 87 -0.751 -3.041 6.150 649 HD2 LYS 87 HD3 LYS 87 1.713 -3.600 5.877 650 HD3 LYS 87 HD2 LYS 87 1.345 -5.188 6.549 651 HE2 LYS 87 HE3 LYS 87 0.269 -3.964 4.000 652 HE3 LYS 87 HE2 LYS 87 1.220 -5.439 4.173 653 HZ1 LYS 87 HZ1 LYS 87 -1.602 -5.050 4.456 654 HZ2 LYS 87 HZ2 LYS 87 -0.929 -5.848 5.792 655 HZ3 LYS 87 HZ3 LYS 87 -0.724 -6.487 4.231 656 H LEU 88 H LEU 88 -0.414 -3.868 10.936 657 HA LEU 88 HA LEU 88 -1.978 -6.183 10.445 658 HB2 LEU 88 HB3 LEU 88 -0.218 -5.990 12.213 659 HB3 LEU 88 HB2 LEU 88 -1.312 -4.968 13.144 660 HG LEU 88 HG LEU 88 -2.999 -6.846 13.073 661 HD11 LEU 88 HD11 LEU 88 -1.731 -9.130 12.682 662 HD12 LEU 88 HD12 LEU 88 -0.686 -8.142 11.664 663 HD13 LEU 88 HD13 LEU 88 -2.410 -8.252 11.313 664 HD21 LEU 88 HD21 LEU 88 -1.329 -8.365 14.562 665 HD22 LEU 88 HD22 LEU 88 -2.013 -6.847 15.144 666 HD23 LEU 88 HD23 LEU 88 -0.380 -6.881 14.479 667 H GLN 89 H GLN 89 -2.815 -3.103 11.986 668 HA GLN 89 HA GLN 89 -5.520 -4.038 12.647 669 HB2 GLN 89 HB3 GLN 89 -4.389 -1.224 12.723 670 HB3 GLN 89 HB2 GLN 89 -5.863 -1.788 13.512 671 HG2 GLN 89 HG3 GLN 89 -3.048 -2.747 14.113 672 HG3 GLN 89 HG2 GLN 89 -4.022 -1.688 15.134 673 HE21 GLN 89 HE22 GLN 89 -3.018 -4.757 15.153 674 HE22 GLN 89 HE21 GLN 89 -4.387 -5.549 15.767 675 H1 PN7 101 3HO SAT 38 -0.464 -7.045 -12.909 676 H2 PN7 101 1H1 SAT 38 -1.728 -8.416 -10.741 677 H3 PN7 101 2H1 SAT 38 -0.167 -8.610 -11.538 678 H5 PN7 101 3HE1 SAT 38 -1.017 -6.493 -8.587 679 H6 PN7 101 1HE1 SAT 38 -0.055 -5.149 -9.203 680 H7 PN7 101 2HE1 SAT 38 0.714 -6.699 -8.860 681 H8 PN7 101 2HE2 SAT 38 -2.515 -6.065 -10.427 682 H9 PN7 101 3HE2 SAT 38 -2.051 -6.446 -12.086 683 H10 PN7 101 1HE2 SAT 38 -1.518 -4.936 -11.345 684 H11 PN7 101 3H SAT 38 0.864 -5.235 -11.514 685 H12 PN7 101 5H SAT 38 2.837 -5.288 -10.579 686 H13 PN7 101 2H6 SAT 38 4.971 -6.156 -10.006 687 H14 PN7 101 1H6 SAT 38 4.749 -6.968 -11.556 688 H15 PN7 101 1H7 SAT 38 4.189 -8.973 -10.579 689 H16 PN7 101 2H7 SAT 38 3.418 -8.200 -9.194 690 H17 PN7 101 9H SAT 38 5.703 -7.996 -7.091 691 H18 PN7 101 2H10 SAT 38 4.005 -10.188 -8.097 692 H19 PN7 101 1H10 SAT 38 4.154 -9.685 -6.412 693 H20 PN7 101 1H11 SAT 38 5.437 -11.870 -7.665 694 H21 PN7 101 2H11 SAT 38 5.724 -11.259 -6.036 695 H22 PN7 101 2HS1 SAT 38 7.598 -10.904 -8.392 Start of MODEL 12 1 H1 MET 1 H1 MET 1 0.748 13.174 2.044 2 H2 MET 1 H2 MET 1 -0.695 13.308 2.931 3 H3 MET 1 H3 MET 1 -0.710 12.622 1.376 4 HA MET 1 HA MET 1 -0.305 10.618 2.177 5 HB2 MET 1 HB3 MET 1 2.005 12.040 3.508 6 HB3 MET 1 HB2 MET 1 1.735 10.306 3.689 7 HG2 MET 1 HG3 MET 1 1.767 10.068 1.217 8 HG3 MET 1 HG2 MET 1 2.122 11.790 1.075 9 HE1 MET 1 HE1 MET 1 3.807 12.923 2.339 10 HE2 MET 1 HE2 MET 1 5.468 12.365 2.527 11 HE3 MET 1 HE3 MET 1 4.277 12.053 3.797 12 H GLN 2 H GLN 2 -2.019 10.063 3.423 13 HA GLN 2 HA GLN 2 -2.112 11.076 6.233 14 HB2 GLN 2 HB3 GLN 2 -4.285 9.852 4.502 15 HB3 GLN 2 HB2 GLN 2 -4.499 10.374 6.174 16 HG2 GLN 2 HG3 GLN 2 -3.917 12.674 5.558 17 HG3 GLN 2 HG2 GLN 2 -3.626 12.171 3.892 18 HE21 GLN 2 HE22 GLN 2 -5.618 14.139 4.540 19 HE22 GLN 2 HE21 GLN 2 -7.144 13.483 4.191 20 H HIS 3 H HIS 3 -2.072 9.573 7.922 21 HA HIS 3 HA HIS 3 -1.404 7.524 8.894 22 HB2 HIS 3 HB3 HIS 3 -3.822 7.135 7.265 23 HB3 HIS 3 HB2 HIS 3 -2.937 5.644 7.579 24 HD1 HIS 3 HD1 HIS 3 -2.948 4.731 9.958 25 HD2 HIS 3 HD2 HIS 3 -4.722 8.495 9.672 26 HE1 HIS 3 HE1 HIS 3 -4.053 5.175 12.195 27 HE2 HIS 3 HE2 HIS 3 -5.136 7.462 12.031 28 H ALA 4 H ALA 4 0.047 8.417 6.421 29 HA ALA 4 HA ALA 4 0.576 6.294 4.644 30 HB1 ALA 4 HB1 ALA 4 3.047 7.504 4.984 31 HB2 ALA 4 HB2 ALA 4 1.912 8.769 5.456 32 HB3 ALA 4 HB3 ALA 4 1.794 8.029 3.860 33 H SER 5 H SER 5 1.934 6.939 7.869 34 HA SER 5 HA SER 5 3.909 4.881 7.811 35 HB2 SER 5 HB3 SER 5 2.359 5.891 10.212 36 HB3 SER 5 HB2 SER 5 3.902 5.043 10.252 37 HG SER 5 HG SER 5 3.649 7.350 8.682 38 H VAL 6 H VAL 6 0.489 4.832 8.770 39 HA VAL 6 HA VAL 6 0.488 2.094 9.650 40 HB VAL 6 HB VAL 6 -1.739 3.840 8.585 41 HG11 VAL 6 HG11 VAL 6 -2.857 1.873 8.387 42 HG12 VAL 6 HG12 VAL 6 -2.904 1.900 10.150 43 HG13 VAL 6 HG13 VAL 6 -1.644 0.991 9.315 44 HG21 VAL 6 HG21 VAL 6 -2.312 3.600 11.154 45 HG22 VAL 6 HG22 VAL 6 -1.120 4.786 10.624 46 HG23 VAL 6 HG23 VAL 6 -0.592 3.243 11.294 47 H ILE 7 H ILE 7 -0.064 3.662 6.543 48 HA ILE 7 HA ILE 7 -0.903 1.336 5.115 49 HB ILE 7 HB ILE 7 0.563 3.802 4.144 50 HG12 ILE 7 HG13 ILE 7 -2.393 3.110 4.090 51 HG13 ILE 7 HG12 ILE 7 -1.649 4.160 5.293 52 HG21 ILE 7 HG21 ILE 7 0.758 2.022 2.501 53 HG22 ILE 7 HG22 ILE 7 -0.464 3.162 1.937 54 HG23 ILE 7 HG23 ILE 7 -0.955 1.631 2.663 55 HD11 ILE 7 HD11 ILE 7 -2.246 4.685 2.436 56 HD12 ILE 7 HD12 ILE 7 -0.708 5.313 3.028 57 HD13 ILE 7 HD13 ILE 7 -2.215 5.799 3.803 58 H ALA 8 H ALA 8 2.322 2.775 5.607 59 HA ALA 8 HA ALA 8 3.745 0.903 3.981 60 HB1 ALA 8 HB1 ALA 8 5.382 1.747 6.168 61 HB2 ALA 8 HB2 ALA 8 4.377 3.107 5.665 62 HB3 ALA 8 HB3 ALA 8 5.422 2.302 4.494 63 H GLN 9 H GLN 9 3.284 0.949 7.532 64 HA GLN 9 HA GLN 9 4.595 -1.597 7.866 65 HB2 GLN 9 HB3 GLN 9 3.672 -1.543 10.162 66 HB3 GLN 9 HB2 GLN 9 4.432 -0.012 9.732 67 HG2 GLN 9 HG3 GLN 9 2.504 0.997 10.299 68 HG3 GLN 9 HG2 GLN 9 1.785 0.249 8.878 69 HE21 GLN 9 HE22 GLN 9 0.839 -2.007 9.231 70 HE22 GLN 9 HE21 GLN 9 0.188 -2.370 10.756 71 H PHE 10 H PHE 10 1.211 -0.641 7.492 72 HA PHE 10 HA PHE 10 0.061 -3.166 8.090 73 HB2 PHE 10 HB3 PHE 10 -1.247 -1.087 7.872 74 HB3 PHE 10 HB2 PHE 10 -0.920 -1.070 6.139 75 HD1 PHE 10 HD1 PHE 10 -2.699 -2.813 8.869 76 HD2 PHE 10 HD2 PHE 10 -2.016 -2.617 4.633 77 HE1 PHE 10 HE1 PHE 10 -4.638 -4.313 8.487 78 HE2 PHE 10 HE2 PHE 10 -3.952 -4.117 4.251 79 HZ PHE 10 HZ PHE 10 -5.265 -4.962 6.177 80 H VAL 11 H VAL 11 1.079 -1.852 4.927 81 HA VAL 11 HA VAL 11 0.302 -4.262 3.533 82 HB VAL 11 HB VAL 11 0.467 -1.979 2.501 83 HG11 VAL 11 HG11 VAL 11 3.425 -2.546 2.309 84 HG12 VAL 11 HG12 VAL 11 2.754 -1.566 3.615 85 HG13 VAL 11 HG13 VAL 11 2.572 -1.048 1.939 86 HG21 VAL 11 HG21 VAL 11 2.236 -3.966 1.071 87 HG22 VAL 11 HG22 VAL 11 1.086 -2.827 0.372 88 HG23 VAL 11 HG23 VAL 11 0.503 -4.235 1.257 89 H VAL 12 H VAL 12 3.565 -3.000 4.413 90 HA VAL 12 HA VAL 12 4.952 -5.259 3.323 91 HB VAL 12 HB VAL 12 6.884 -4.439 4.512 92 HG11 VAL 12 HG11 VAL 12 5.180 -2.082 3.676 93 HG12 VAL 12 HG12 VAL 12 6.024 -3.141 2.550 94 HG13 VAL 12 HG13 VAL 12 6.940 -2.158 3.693 95 HG21 VAL 12 HG21 VAL 12 6.272 -3.972 6.687 96 HG22 VAL 12 HG22 VAL 12 4.782 -3.161 6.207 97 HG23 VAL 12 HG23 VAL 12 6.331 -2.334 6.031 98 H GLU 13 H GLU 13 3.628 -4.674 6.562 99 HA GLU 13 HA GLU 13 4.948 -6.818 7.857 100 HB2 GLU 13 HB3 GLU 13 2.321 -5.457 8.367 101 HB3 GLU 13 HB2 GLU 13 2.874 -6.785 9.373 102 HG2 GLU 13 HG3 GLU 13 4.941 -5.582 9.888 103 HG3 GLU 13 HG2 GLU 13 4.443 -4.255 8.849 104 H GLU 14 H GLU 14 2.105 -6.805 5.785 105 HA GLU 14 HA GLU 14 1.236 -9.467 6.430 106 HB2 GLU 14 HB3 GLU 14 0.907 -7.830 3.897 107 HB3 GLU 14 HB2 GLU 14 0.082 -9.359 4.205 108 HG2 GLU 14 HG3 GLU 14 -0.930 -8.383 6.250 109 HG3 GLU 14 HG2 GLU 14 -0.146 -6.846 5.886 110 H PHE 15 H PHE 15 3.686 -8.175 4.259 111 HA PHE 15 HA PHE 15 4.209 -10.897 3.192 112 HB2 PHE 15 HB3 PHE 15 5.534 -8.279 2.441 113 HB3 PHE 15 HB2 PHE 15 5.616 -9.804 1.557 114 HD1 PHE 15 HD2 PHE 15 3.439 -10.799 0.640 115 HD2 PHE 15 HD1 PHE 15 3.764 -6.776 2.095 116 HE1 PHE 15 HE2 PHE 15 1.344 -10.201 -0.548 117 HE2 PHE 15 HE1 PHE 15 1.669 -6.175 0.921 118 HZ PHE 15 HZ PHE 15 0.458 -7.888 -0.407 119 H LEU 16 H LEU 16 6.155 -8.198 4.572 120 HA LEU 16 HA LEU 16 7.886 -10.289 5.827 121 HB2 LEU 16 HB3 LEU 16 8.631 -8.722 3.682 122 HB3 LEU 16 HB2 LEU 16 9.291 -7.831 5.049 123 HG LEU 16 HG LEU 16 10.177 -10.123 5.864 124 HD11 LEU 16 HD11 LEU 16 10.113 -11.928 4.460 125 HD12 LEU 16 HD12 LEU 16 10.254 -10.933 3.010 126 HD13 LEU 16 HD13 LEU 16 8.694 -11.102 3.815 127 HD21 LEU 16 HD21 LEU 16 11.286 -8.878 3.326 128 HD22 LEU 16 HD22 LEU 16 12.188 -9.894 4.451 129 HD23 LEU 16 HD23 LEU 16 11.605 -8.312 4.966 130 HA PRO 17 HA PRO 17 6.839 -7.213 9.079 131 HB2 PRO 17 HB2 PRO 17 5.818 -8.977 10.881 132 HB3 PRO 17 HB3 PRO 17 4.847 -8.263 9.584 133 HG2 PRO 17 HG3 PRO 17 5.890 -10.985 9.861 134 HG3 PRO 17 HG2 PRO 17 4.515 -10.387 8.927 135 HD2 PRO 17 HD3 PRO 17 7.120 -11.052 7.938 136 HD3 PRO 17 HD2 PRO 17 5.769 -10.346 7.027 137 H ASP 18 H ASP 18 8.963 -9.831 8.783 138 HA ASP 18 HA ASP 18 9.951 -9.906 11.514 139 HB2 ASP 18 HB3 ASP 18 11.116 -10.871 8.898 140 HB3 ASP 18 HB2 ASP 18 11.856 -11.165 10.467 141 H VAL 19 H VAL 19 10.119 -7.624 9.119 142 HA VAL 19 HA VAL 19 12.728 -6.557 10.121 143 HB VAL 19 HB VAL 19 11.295 -5.894 7.527 144 HG11 VAL 19 HG11 VAL 19 14.093 -5.326 7.517 145 HG12 VAL 19 HG12 VAL 19 13.408 -4.625 8.983 146 HG13 VAL 19 HG13 VAL 19 12.753 -4.185 7.406 147 HG21 VAL 19 HG21 VAL 19 13.320 -7.157 6.560 148 HG22 VAL 19 HG22 VAL 19 12.054 -8.139 7.298 149 HG23 VAL 19 HG23 VAL 19 13.543 -7.808 8.184 150 H ALA 20 H ALA 20 12.674 -4.434 10.994 151 HA ALA 20 HA ALA 20 10.186 -3.518 12.011 152 HB1 ALA 20 HB1 ALA 20 12.946 -2.457 11.844 153 HB2 ALA 20 HB2 ALA 20 11.853 -2.534 13.226 154 HB3 ALA 20 HB3 ALA 20 11.678 -1.246 12.034 155 HA PRO 21 HA PRO 21 8.831 -1.885 8.008 156 HB2 PRO 21 HB2 PRO 21 6.426 -0.838 8.998 157 HB3 PRO 21 HB3 PRO 21 6.661 -2.439 8.285 158 HG2 PRO 21 HG3 PRO 21 6.278 -1.694 11.068 159 HG3 PRO 21 HG2 PRO 21 6.095 -3.266 10.278 160 HD2 PRO 21 HD3 PRO 21 8.206 -2.482 11.968 161 HD3 PRO 21 HD2 PRO 21 8.163 -3.931 10.942 162 H ALA 22 H ALA 22 8.742 -0.033 11.013 163 HA ALA 22 HA ALA 22 8.592 2.549 9.685 164 HB1 ALA 22 HB1 ALA 22 9.410 1.757 12.497 165 HB2 ALA 22 HB2 ALA 22 7.834 2.365 11.987 166 HB3 ALA 22 HB3 ALA 22 9.243 3.426 11.951 167 H ASP 23 H ASP 23 11.047 0.246 10.182 168 HA ASP 23 HA ASP 23 13.230 2.235 10.037 169 HB2 ASP 23 HB3 ASP 23 13.243 -0.783 10.311 170 HB3 ASP 23 HB2 ASP 23 14.700 0.208 10.230 171 H VAL 24 H VAL 24 11.199 1.087 7.839 172 HA VAL 24 HA VAL 24 13.244 0.379 5.804 173 HB VAL 24 HB VAL 24 10.216 0.413 5.593 174 HG11 VAL 24 HG11 VAL 24 12.460 -0.293 3.740 175 HG12 VAL 24 HG12 VAL 24 10.922 0.494 3.387 176 HG13 VAL 24 HG13 VAL 24 10.978 -1.247 3.662 177 HG21 VAL 24 HG21 VAL 24 12.199 -1.810 6.159 178 HG22 VAL 24 HG22 VAL 24 10.527 -2.099 5.678 179 HG23 VAL 24 HG23 VAL 24 10.878 -1.270 7.194 180 H ASP 25 H ASP 25 13.773 1.792 4.160 181 HA ASP 25 HA ASP 25 13.115 4.569 4.461 182 HB2 ASP 25 HB3 ASP 25 14.326 3.050 2.132 183 HB3 ASP 25 HB2 ASP 25 14.228 4.809 2.222 184 H VAL 26 H VAL 26 10.765 4.538 4.473 185 HA VAL 26 HA VAL 26 9.177 3.522 2.328 186 HB VAL 26 HB VAL 26 7.413 4.995 3.181 187 HG11 VAL 26 HG11 VAL 26 7.790 4.438 5.726 188 HG12 VAL 26 HG12 VAL 26 9.197 3.560 5.127 189 HG13 VAL 26 HG13 VAL 26 7.582 3.124 4.568 190 HG21 VAL 26 HG21 VAL 26 9.719 6.298 4.657 191 HG22 VAL 26 HG22 VAL 26 8.026 6.573 5.068 192 HG23 VAL 26 HG23 VAL 26 8.638 7.053 3.485 193 H ASP 27 H ASP 27 11.567 5.712 2.041 194 HA ASP 27 HA ASP 27 10.143 7.502 0.146 195 HB2 ASP 27 HB3 ASP 27 12.984 7.523 1.214 196 HB3 ASP 27 HB2 ASP 27 12.352 8.692 0.054 197 H LEU 28 H LEU 28 11.314 4.509 0.000 198 HA LEU 28 HA LEU 28 12.808 4.802 -2.550 199 HB2 LEU 28 HB3 LEU 28 13.661 3.280 -0.752 200 HB3 LEU 28 HB2 LEU 28 12.208 2.304 -0.942 201 HG LEU 28 HG LEU 28 12.983 2.394 -3.517 202 HD11 LEU 28 HD11 LEU 28 15.420 2.235 -3.667 203 HD12 LEU 28 HD12 LEU 28 15.563 2.510 -1.930 204 HD13 LEU 28 HD13 LEU 28 14.962 3.794 -2.980 205 HD21 LEU 28 HD21 LEU 28 12.574 0.319 -2.398 206 HD22 LEU 28 HD22 LEU 28 13.938 0.562 -1.306 207 HD23 LEU 28 HD23 LEU 28 14.224 0.220 -3.012 208 H ASP 29 H ASP 29 11.926 4.173 -4.505 209 HA ASP 29 HA ASP 29 9.090 3.892 -4.732 210 HB2 ASP 29 HB3 ASP 29 11.306 3.141 -6.668 211 HB3 ASP 29 HB2 ASP 29 9.592 3.164 -7.084 212 H LEU 30 H LEU 30 7.900 2.128 -4.203 213 HA LEU 30 HA LEU 30 9.135 -0.331 -3.388 214 HB2 LEU 30 HB3 LEU 30 6.796 -1.185 -3.257 215 HB3 LEU 30 HB2 LEU 30 6.998 0.368 -2.443 216 HG LEU 30 HG LEU 30 6.345 0.691 -5.269 217 HD11 LEU 30 HD11 LEU 30 4.537 -0.940 -3.483 218 HD12 LEU 30 HD12 LEU 30 5.031 -1.277 -5.142 219 HD13 LEU 30 HD13 LEU 30 3.893 0.028 -4.808 220 HD21 LEU 30 HD21 LEU 30 5.029 1.571 -2.681 221 HD22 LEU 30 HD22 LEU 30 4.640 2.198 -4.282 222 HD23 LEU 30 HD23 LEU 30 6.236 2.482 -3.587 223 H VAL 31 H VAL 31 9.053 0.795 -6.414 224 HA VAL 31 HA VAL 31 7.872 -1.190 -8.031 225 HB VAL 31 HB VAL 31 9.068 0.972 -8.762 226 HG11 VAL 31 HG11 VAL 31 11.206 0.257 -7.546 227 HG12 VAL 31 HG12 VAL 31 11.414 0.867 -9.188 228 HG13 VAL 31 HG13 VAL 31 11.466 -0.869 -8.879 229 HG21 VAL 31 HG21 VAL 31 9.384 -1.693 -10.154 230 HG22 VAL 31 HG22 VAL 31 9.881 -0.184 -10.920 231 HG23 VAL 31 HG23 VAL 31 8.193 -0.431 -10.470 232 H ASP 32 H ASP 32 11.008 -1.183 -6.385 233 HA ASP 32 HA ASP 32 12.023 -3.615 -7.470 234 HB2 ASP 32 HB3 ASP 32 12.374 -2.400 -4.707 235 HB3 ASP 32 HB2 ASP 32 13.310 -3.768 -5.311 236 H ASN 33 H ASN 33 9.739 -2.912 -4.903 237 HA ASN 33 HA ASN 33 9.420 -5.732 -4.164 238 HB2 ASN 33 HB3 ASN 33 7.815 -3.297 -3.358 239 HB3 ASN 33 HB2 ASN 33 7.717 -4.889 -2.610 240 HD21 ASN 33 HD22 ASN 33 9.364 -1.883 -2.509 241 HD22 ASN 33 HD21 ASN 33 10.615 -2.342 -1.457 242 H GLY 34 H GLY 34 8.743 -4.387 -6.895 243 HA2 GLY 34 HA3 GLY 34 6.060 -4.277 -7.494 244 HA3 GLY 34 HA2 GLY 34 7.227 -5.015 -8.592 245 H VAL 35 H VAL 35 7.712 -6.984 -6.202 246 HA VAL 35 HA VAL 35 6.256 -9.179 -7.205 247 HB VAL 35 HB VAL 35 7.284 -8.611 -4.409 248 HG11 VAL 35 HG11 VAL 35 7.063 -11.344 -4.611 249 HG12 VAL 35 HG12 VAL 35 5.600 -10.802 -5.434 250 HG13 VAL 35 HG13 VAL 35 5.911 -10.306 -3.770 251 HG21 VAL 35 HG21 VAL 35 9.185 -9.810 -5.051 252 HG22 VAL 35 HG22 VAL 35 8.778 -8.970 -6.547 253 HG23 VAL 35 HG23 VAL 35 8.334 -10.664 -6.338 254 H ILE 36 H ILE 36 5.369 -6.760 -4.799 255 HA ILE 36 HA ILE 36 2.884 -7.987 -3.998 256 HB ILE 36 HB ILE 36 4.257 -6.102 -2.841 257 HG12 ILE 36 HG13 ILE 36 1.242 -5.944 -3.155 258 HG13 ILE 36 HG12 ILE 36 2.124 -6.917 -1.982 259 HG21 ILE 36 HG21 ILE 36 3.828 -3.878 -3.510 260 HG22 ILE 36 HG22 ILE 36 2.437 -4.348 -4.488 261 HG23 ILE 36 HG23 ILE 36 4.070 -4.725 -5.038 262 HD11 ILE 36 HD11 ILE 36 2.124 -3.891 -2.135 263 HD12 ILE 36 HD12 ILE 36 3.074 -4.848 -0.998 264 HD13 ILE 36 HD13 ILE 36 1.313 -4.871 -0.917 265 H ASP 37 H ASP 37 3.835 -5.989 -6.687 266 HA ASP 37 HA ASP 37 1.338 -4.837 -7.355 267 HB2 ASP 37 HB3 ASP 37 3.617 -5.682 -9.155 268 HB3 ASP 37 HB2 ASP 37 2.251 -4.704 -9.682 269 H SER 38 H SER 38 2.524 -8.117 -7.981 270 HA SER 38 HA SER 38 -0.004 -8.634 -9.490 271 HB2 SER 38 2HB SER 38 2.756 -9.618 -9.758 272 HB3 SER 38 1HB SER 38 1.520 -10.865 -9.882 273 H LEU 39 H LEU 39 2.176 -10.586 -7.421 274 HA LEU 39 HA LEU 39 0.054 -12.356 -6.656 275 HB2 LEU 39 HB3 LEU 39 2.777 -11.850 -5.474 276 HB3 LEU 39 HB2 LEU 39 1.695 -13.100 -4.876 277 HG LEU 39 HG LEU 39 1.597 -13.819 -7.403 278 HD11 LEU 39 HD11 LEU 39 2.826 -11.989 -8.375 279 HD12 LEU 39 HD12 LEU 39 3.848 -13.420 -8.481 280 HD13 LEU 39 HD13 LEU 39 4.157 -12.209 -7.239 281 HD21 LEU 39 HD21 LEU 39 2.527 -15.175 -5.569 282 HD22 LEU 39 HD22 LEU 39 4.042 -14.280 -5.672 283 HD23 LEU 39 HD23 LEU 39 3.531 -15.305 -7.013 284 H GLY 40 H GLY 40 1.687 -9.761 -4.840 285 HA2 GLY 40 HA3 GLY 40 -0.065 -10.005 -2.564 286 HA3 GLY 40 HA2 GLY 40 1.014 -8.655 -2.886 287 H LEU 41 H LEU 41 -0.046 -7.932 -5.435 288 HA LEU 41 HA LEU 41 -2.123 -6.166 -4.660 289 HB2 LEU 41 HB3 LEU 41 -0.643 -5.967 -6.709 290 HB3 LEU 41 HB2 LEU 41 -1.642 -7.204 -7.467 291 HG LEU 41 HG LEU 41 -3.087 -4.895 -6.258 292 HD11 LEU 41 HD11 LEU 41 -2.647 -3.449 -8.170 293 HD12 LEU 41 HD12 LEU 41 -1.585 -4.664 -8.882 294 HD13 LEU 41 HD13 LEU 41 -1.118 -3.850 -7.389 295 HD21 LEU 41 HD21 LEU 41 -3.310 -6.488 -8.834 296 HD22 LEU 41 HD22 LEU 41 -4.403 -5.184 -8.376 297 HD23 LEU 41 HD23 LEU 41 -4.330 -6.652 -7.405 298 H LEU 42 H LEU 42 -2.247 -9.359 -6.196 299 HA LEU 42 HA LEU 42 -5.078 -9.407 -6.628 300 HB2 LEU 42 HB3 LEU 42 -3.132 -11.074 -7.354 301 HB3 LEU 42 HB2 LEU 42 -3.618 -11.907 -5.885 302 HG LEU 42 HG LEU 42 -4.899 -12.830 -7.705 303 HD11 LEU 42 HD11 LEU 42 -6.790 -10.898 -6.371 304 HD12 LEU 42 HD12 LEU 42 -6.040 -12.215 -5.469 305 HD13 LEU 42 HD13 LEU 42 -7.083 -12.570 -6.844 306 HD21 LEU 42 HD21 LEU 42 -4.711 -10.222 -8.727 307 HD22 LEU 42 HD22 LEU 42 -6.430 -10.488 -8.444 308 HD23 LEU 42 HD23 LEU 42 -5.524 -11.594 -9.477 309 H LYS 43 H LYS 43 -3.068 -10.463 -3.883 310 HA LYS 43 HA LYS 43 -5.234 -11.416 -2.272 311 HB2 LYS 43 HB3 LYS 43 -2.523 -10.327 -1.498 312 HB3 LYS 43 HB2 LYS 43 -3.615 -11.154 -0.395 313 HG2 LYS 43 HG3 LYS 43 -3.581 -13.138 -1.912 314 HG3 LYS 43 HG2 LYS 43 -2.383 -12.311 -2.909 315 HD2 LYS 43 HD3 LYS 43 -0.897 -12.140 -0.907 316 HD3 LYS 43 HD2 LYS 43 -2.072 -13.089 0.005 317 HE2 LYS 43 HE3 LYS 43 -0.476 -13.963 -2.414 318 HE3 LYS 43 HE2 LYS 43 -0.412 -14.634 -0.784 319 HZ1 LYS 43 HZ1 LYS 43 -1.872 -16.103 -1.591 320 HZ2 LYS 43 HZ2 LYS 43 -2.305 -15.124 -2.907 321 HZ3 LYS 43 HZ3 LYS 43 -3.018 -14.865 -1.386 322 H VAL 44 H VAL 44 -3.771 -8.236 -2.713 323 HA VAL 44 HA VAL 44 -4.981 -6.906 -0.512 324 HB VAL 44 HB VAL 44 -4.171 -5.892 -3.245 325 HG11 VAL 44 HG11 VAL 44 -5.585 -4.586 -1.020 326 HG12 VAL 44 HG12 VAL 44 -5.406 -4.069 -2.696 327 HG13 VAL 44 HG13 VAL 44 -4.125 -3.738 -1.530 328 HG21 VAL 44 HG21 VAL 44 -2.715 -5.048 -0.838 329 HG22 VAL 44 HG22 VAL 44 -2.092 -5.682 -2.361 330 HG23 VAL 44 HG23 VAL 44 -2.657 -6.790 -1.111 331 H ILE 45 H ILE 45 -6.182 -7.395 -3.834 332 HA ILE 45 HA ILE 45 -8.553 -5.862 -3.576 333 HB ILE 45 HB ILE 45 -8.113 -8.390 -5.194 334 HG12 ILE 45 HG13 ILE 45 -6.399 -6.766 -5.749 335 HG13 ILE 45 HG12 ILE 45 -7.598 -6.753 -7.038 336 HG21 ILE 45 HG21 ILE 45 -9.865 -7.393 -6.649 337 HG22 ILE 45 HG22 ILE 45 -10.084 -6.112 -5.456 338 HG23 ILE 45 HG23 ILE 45 -10.457 -7.784 -5.035 339 HD11 ILE 45 HD11 ILE 45 -8.703 -4.843 -5.615 340 HD12 ILE 45 HD12 ILE 45 -7.313 -4.472 -6.634 341 HD13 ILE 45 HD13 ILE 45 -7.097 -4.704 -4.899 342 H ALA 46 H ALA 46 -7.960 -9.312 -2.893 343 HA ALA 46 HA ALA 46 -10.671 -9.894 -2.137 344 HB1 ALA 46 HB1 ALA 46 -9.369 -11.786 -2.619 345 HB2 ALA 46 HB2 ALA 46 -9.458 -11.820 -0.858 346 HB3 ALA 46 HB3 ALA 46 -8.007 -11.210 -1.657 347 H TRP 47 H TRP 47 -7.798 -8.997 -0.210 348 HA TRP 47 HA TRP 47 -9.246 -9.114 2.301 349 HB2 TRP 47 HB3 TRP 47 -6.995 -9.311 2.730 350 HB3 TRP 47 HB2 TRP 47 -6.543 -8.233 1.409 351 HD1 TRP 47 HD1 TRP 47 -7.636 -8.220 5.058 352 HE1 TRP 47 HE1 TRP 47 -7.245 -5.864 6.035 353 HE3 TRP 47 HE3 TRP 47 -6.392 -5.701 0.802 354 HZ2 TRP 47 HZ2 TRP 47 -6.497 -3.254 5.123 355 HZ3 TRP 47 HZ3 TRP 47 -5.843 -3.288 0.878 356 HH2 TRP 47 HH2 TRP 47 -5.894 -2.063 3.029 357 H LEU 48 H LEU 48 -8.311 -6.504 0.076 358 HA LEU 48 HA LEU 48 -9.172 -4.316 1.633 359 HB2 LEU 48 HB3 LEU 48 -7.923 -4.197 -0.544 360 HB3 LEU 48 HB2 LEU 48 -9.419 -4.597 -1.374 361 HG LEU 48 HG LEU 48 -10.361 -2.572 0.032 362 HD11 LEU 48 HD11 LEU 48 -7.398 -2.000 -0.195 363 HD12 LEU 48 HD12 LEU 48 -8.286 -2.250 1.307 364 HD13 LEU 48 HD13 LEU 48 -8.621 -0.834 0.309 365 HD21 LEU 48 HD21 LEU 48 -8.853 -2.707 -2.535 366 HD22 LEU 48 HD22 LEU 48 -9.233 -1.099 -1.917 367 HD23 LEU 48 HD23 LEU 48 -10.530 -2.248 -2.245 368 H GLU 49 H GLU 49 -11.023 -6.324 -0.672 369 HA GLU 49 HA GLU 49 -13.502 -4.914 -0.269 370 HB2 GLU 49 HB3 GLU 49 -13.211 -6.315 -2.233 371 HB3 GLU 49 HB2 GLU 49 -12.936 -7.734 -1.229 372 HG2 GLU 49 HG3 GLU 49 -15.220 -7.563 -0.352 373 HG3 GLU 49 HG2 GLU 49 -15.500 -6.135 -1.337 374 H ASP 50 H ASP 50 -12.060 -7.792 1.225 375 HA ASP 50 HA ASP 50 -14.267 -8.487 2.878 376 HB2 ASP 50 HB3 ASP 50 -12.190 -9.864 2.489 377 HB3 ASP 50 HB2 ASP 50 -11.346 -8.773 3.584 378 H ARG 51 H ARG 51 -11.639 -6.167 3.337 379 HA ARG 51 HA ARG 51 -12.545 -5.526 6.053 380 HB2 ARG 51 HB3 ARG 51 -10.133 -5.532 5.417 381 HB3 ARG 51 HB2 ARG 51 -10.443 -4.150 4.365 382 HG2 ARG 51 HG3 ARG 51 -11.255 -2.858 6.310 383 HG3 ARG 51 HG2 ARG 51 -10.917 -4.235 7.360 384 HD2 ARG 51 HD3 ARG 51 -8.523 -4.130 6.653 385 HD3 ARG 51 HD2 ARG 51 -8.893 -2.676 5.727 386 HE ARG 51 HE ARG 51 -8.959 -1.465 7.756 387 HH11 ARG 51 HH22 ARG 51 -9.121 -4.873 8.252 388 HH12 ARG 51 HH21 ARG 51 -8.968 -4.764 9.974 389 HH21 ARG 51 HH11 ARG 51 -8.759 -1.303 10.002 390 HH22 ARG 51 HH12 ARG 51 -8.764 -2.742 10.964 391 H PHE 52 H PHE 52 -12.382 -3.724 2.931 392 HA PHE 52 HA PHE 52 -14.088 -1.643 4.183 393 HB2 PHE 52 HB3 PHE 52 -12.462 -1.702 1.639 394 HB3 PHE 52 HB2 PHE 52 -13.498 -0.357 2.101 395 HD1 PHE 52 HD2 PHE 52 -13.055 0.860 4.272 396 HD2 PHE 52 HD1 PHE 52 -10.321 -2.016 2.630 397 HE1 PHE 52 HE2 PHE 52 -11.252 1.743 5.728 398 HE2 PHE 52 HE1 PHE 52 -8.517 -1.132 4.084 399 HZ PHE 52 HZ PHE 52 -8.983 0.747 5.634 400 H GLY 53 H GLY 53 -14.485 -4.364 2.175 401 HA2 GLY 53 HA3 GLY 53 -16.455 -5.103 1.081 402 HA3 GLY 53 HA2 GLY 53 -17.258 -3.655 1.684 403 H ILE 54 H ILE 54 -14.284 -3.311 -0.094 404 HA ILE 54 HA ILE 54 -15.688 -1.739 -2.127 405 HB ILE 54 HB ILE 54 -12.767 -2.496 -1.847 406 HG12 ILE 54 HG13 ILE 54 -14.173 0.139 -1.329 407 HG13 ILE 54 HG12 ILE 54 -13.804 -1.031 -0.064 408 HG21 ILE 54 HG21 ILE 54 -12.743 -1.879 -4.045 409 HG22 ILE 54 HG22 ILE 54 -12.840 -0.247 -3.384 410 HG23 ILE 54 HG23 ILE 54 -14.303 -1.064 -3.935 411 HD11 ILE 54 HD11 ILE 54 -12.113 0.953 -0.700 412 HD12 ILE 54 HD12 ILE 54 -11.574 -0.244 -1.877 413 HD13 ILE 54 HD13 ILE 54 -11.541 -0.624 -0.156 414 H ALA 55 H ALA 55 -15.704 -2.210 -4.381 415 HA ALA 55 HA ALA 55 -16.251 -4.918 -5.066 416 HB1 ALA 55 HB1 ALA 55 -15.363 -3.030 -7.201 417 HB2 ALA 55 HB2 ALA 55 -16.794 -2.589 -6.269 418 HB3 ALA 55 HB3 ALA 55 -16.759 -4.108 -7.165 419 H ALA 56 H ALA 56 -15.030 -6.375 -6.396 420 HA ALA 56 HA ALA 56 -12.295 -6.628 -5.704 421 HB1 ALA 56 HB1 ALA 56 -12.765 -8.666 -6.532 422 HB2 ALA 56 HB2 ALA 56 -12.650 -7.980 -8.153 423 HB3 ALA 56 HB3 ALA 56 -14.210 -8.049 -7.333 424 H ASP 57 H ASP 57 -13.829 -5.037 -8.459 425 HA ASP 57 HA ASP 57 -11.227 -3.779 -9.074 426 HB2 ASP 57 HB3 ASP 57 -11.355 -5.850 -10.472 427 HB3 ASP 57 HB2 ASP 57 -12.825 -5.209 -11.202 428 H ASP 58 H ASP 58 -13.036 -2.267 -7.964 429 HA ASP 58 HA ASP 58 -15.154 -1.234 -9.558 430 HB2 ASP 58 HB3 ASP 58 -14.761 -0.777 -7.100 431 HB3 ASP 58 HB2 ASP 58 -13.497 0.348 -7.591 432 H VAL 59 H VAL 59 -11.725 -0.405 -9.387 433 HA VAL 59 HA VAL 59 -12.073 1.184 -11.894 434 HB VAL 59 HB VAL 59 -10.400 2.783 -11.085 435 HG11 VAL 59 HG11 VAL 59 -12.039 2.891 -8.695 436 HG12 VAL 59 HG12 VAL 59 -13.019 2.486 -10.104 437 HG13 VAL 59 HG13 VAL 59 -12.050 3.959 -10.099 438 HG21 VAL 59 HG21 VAL 59 -10.124 0.725 -8.981 439 HG22 VAL 59 HG22 VAL 59 -10.115 2.387 -8.391 440 HG23 VAL 59 HG23 VAL 59 -8.933 1.872 -9.595 441 H GLU 60 H GLU 60 -10.017 1.293 -13.171 442 HA GLU 60 HA GLU 60 -8.676 -1.318 -13.104 443 HB2 GLU 60 HB3 GLU 60 -9.346 -0.241 -15.252 444 HB3 GLU 60 HB2 GLU 60 -8.186 1.044 -14.937 445 HG2 GLU 60 HG3 GLU 60 -6.380 -0.641 -14.837 446 HG3 GLU 60 HG2 GLU 60 -7.550 -1.893 -15.231 447 H LEU 61 H LEU 61 -6.598 -1.688 -12.413 448 HA LEU 61 HA LEU 61 -5.184 0.623 -11.181 449 HB2 LEU 61 HB3 LEU 61 -4.678 -2.330 -10.737 450 HB3 LEU 61 HB2 LEU 61 -4.074 -0.987 -9.771 451 HG LEU 61 HG LEU 61 -6.944 -1.880 -10.050 452 HD11 LEU 61 HD11 LEU 61 -6.765 -2.215 -7.617 453 HD12 LEU 61 HD12 LEU 61 -5.089 -1.668 -7.662 454 HD13 LEU 61 HD13 LEU 61 -5.549 -3.167 -8.468 455 HD21 LEU 61 HD21 LEU 61 -7.130 0.463 -9.985 456 HD22 LEU 61 HD22 LEU 61 -5.721 0.638 -8.940 457 HD23 LEU 61 HD23 LEU 61 -7.234 0.014 -8.283 458 H SER 62 H SER 62 -3.039 1.065 -11.740 459 HA SER 62 HA SER 62 -1.860 -0.598 -13.921 460 HB2 SER 62 HB3 SER 62 -2.658 2.174 -14.002 461 HB3 SER 62 HB2 SER 62 -0.913 2.051 -14.212 462 HG SER 62 HG SER 62 -1.448 1.543 -16.186 463 HA PRO 63 HA PRO 63 1.881 -0.798 -11.628 464 HB2 PRO 63 HB2 PRO 63 3.749 0.088 -13.515 465 HB3 PRO 63 HB3 PRO 63 3.151 -1.571 -13.356 466 HG2 PRO 63 HG3 PRO 63 2.366 0.549 -15.267 467 HG3 PRO 63 HG2 PRO 63 2.434 -1.207 -15.485 468 HD2 PRO 63 HD3 PRO 63 0.087 0.125 -15.162 469 HD3 PRO 63 HD2 PRO 63 0.324 -1.539 -14.583 470 H GLU 64 H GLU 64 1.244 2.216 -13.319 471 HA GLU 64 HA GLU 64 3.235 3.825 -12.039 472 HB2 GLU 64 HB3 GLU 64 0.525 4.574 -13.144 473 HB3 GLU 64 HB2 GLU 64 1.759 5.732 -12.671 474 HG2 GLU 64 HG3 GLU 64 3.312 4.700 -14.300 475 HG3 GLU 64 HG2 GLU 64 2.024 3.614 -14.809 476 H HIS 65 H HIS 65 0.070 2.703 -11.051 477 HA HIS 65 HA HIS 65 -0.300 4.520 -8.851 478 HB2 HIS 65 HB3 HIS 65 -2.168 3.244 -9.762 479 HB3 HIS 65 HB2 HIS 65 -1.376 1.727 -9.337 480 HD1 HIS 65 HD1 HIS 65 -0.683 1.737 -6.569 481 HD2 HIS 65 HD2 HIS 65 -3.991 3.946 -7.825 482 HE1 HIS 65 HE1 HIS 65 -2.123 2.108 -4.515 483 HE2 HIS 65 HE2 HIS 65 -4.140 3.441 -5.272 484 H PHE 66 H PHE 66 1.535 1.563 -9.243 485 HA PHE 66 HA PHE 66 2.088 1.519 -6.311 486 HB2 PHE 66 HB3 PHE 66 2.590 -0.568 -8.452 487 HB3 PHE 66 HB2 PHE 66 2.969 -0.761 -6.740 488 HD1 PHE 66 HD1 PHE 66 1.166 -0.870 -5.051 489 HD2 PHE 66 HD2 PHE 66 0.308 -0.643 -9.255 490 HE1 PHE 66 HE1 PHE 66 -1.174 -1.564 -4.611 491 HE2 PHE 66 HE2 PHE 66 -2.031 -1.339 -8.813 492 HZ PHE 66 HZ PHE 66 -2.773 -1.798 -6.492 493 H ARG 67 H ARG 67 3.359 2.962 -8.938 494 HA ARG 67 HA ARG 67 6.084 2.210 -9.008 495 HB2 ARG 67 HB3 ARG 67 5.015 3.788 -10.611 496 HB3 ARG 67 HB2 ARG 67 4.944 5.004 -9.341 497 HG2 ARG 67 HG3 ARG 67 6.904 5.560 -10.519 498 HG3 ARG 67 HG2 ARG 67 7.507 4.634 -9.151 499 HD2 ARG 67 HD3 ARG 67 7.645 2.615 -10.542 500 HD3 ARG 67 HD2 ARG 67 6.966 3.497 -11.909 501 HE ARG 67 HE ARG 67 9.721 3.654 -10.959 502 HH11 ARG 67 HH22 ARG 67 7.115 5.211 -12.594 503 HH12 ARG 67 HH21 ARG 67 8.143 6.252 -13.521 504 HH21 ARG 67 HH11 ARG 67 11.078 5.005 -12.161 505 HH22 ARG 67 HH12 ARG 67 10.387 6.135 -13.276 506 H SER 68 H SER 68 4.398 4.461 -6.823 507 HA SER 68 HA SER 68 6.740 4.249 -5.000 508 HB2 SER 68 HB3 SER 68 6.787 6.642 -4.609 509 HB3 SER 68 HB2 SER 68 6.936 6.364 -6.342 510 HG SER 68 HG SER 68 4.413 6.724 -5.137 511 H ILE 69 H ILE 69 6.190 4.681 -2.764 512 HA ILE 69 HA ILE 69 3.634 3.714 -1.969 513 HB ILE 69 HB ILE 69 5.664 5.323 -0.395 514 HG12 ILE 69 HG13 ILE 69 5.238 2.335 -0.542 515 HG13 ILE 69 HG12 ILE 69 6.492 3.192 -1.426 516 HG21 ILE 69 HG21 ILE 69 4.231 3.465 1.180 517 HG22 ILE 69 HG22 ILE 69 3.042 4.369 0.243 518 HG23 ILE 69 HG23 ILE 69 4.183 5.223 1.281 519 HD11 ILE 69 HD11 ILE 69 7.138 4.161 0.909 520 HD12 ILE 69 HD12 ILE 69 7.622 2.512 0.513 521 HD13 ILE 69 HD13 ILE 69 6.217 2.797 1.540 522 H ARG 70 H ARG 70 4.908 6.999 -2.357 523 HA ARG 70 HA ARG 70 2.775 8.393 -1.093 524 HB2 ARG 70 HB3 ARG 70 4.520 9.222 -3.431 525 HB3 ARG 70 HB2 ARG 70 3.479 10.317 -2.520 526 HG2 ARG 70 HG3 ARG 70 4.709 9.684 -0.438 527 HG3 ARG 70 HG2 ARG 70 5.806 8.714 -1.421 528 HD2 ARG 70 HD3 ARG 70 5.358 11.704 -1.660 529 HD3 ARG 70 HD2 ARG 70 6.798 10.913 -1.019 530 HE ARG 70 HE ARG 70 6.237 10.009 -3.704 531 HH11 ARG 70 HH22 ARG 70 7.474 12.601 -1.796 532 HH12 ARG 70 HH21 ARG 70 8.531 13.187 -3.037 533 HH21 ARG 70 HH11 ARG 70 7.610 10.759 -5.336 534 HH22 ARG 70 HH12 ARG 70 8.608 12.144 -5.041 535 H SER 71 H SER 71 3.111 7.193 -4.430 536 HA SER 71 HA SER 71 0.743 8.427 -5.450 537 HB2 SER 71 HB3 SER 71 0.921 6.840 -7.265 538 HB3 SER 71 HB2 SER 71 2.552 7.326 -6.819 539 HG SER 71 HG SER 71 2.762 5.206 -6.744 540 H ILE 72 H ILE 72 1.307 5.373 -3.746 541 HA ILE 72 HA ILE 72 -1.350 4.339 -4.062 542 HB ILE 72 HB ILE 72 0.687 3.823 -1.875 543 HG12 ILE 72 HG13 ILE 72 0.154 2.316 -4.456 544 HG13 ILE 72 HG12 ILE 72 1.517 3.405 -4.198 545 HG21 ILE 72 HG21 ILE 72 -0.858 2.453 -0.999 546 HG22 ILE 72 HG22 ILE 72 -0.957 1.583 -2.530 547 HG23 ILE 72 HG23 ILE 72 -2.008 2.967 -2.233 548 HD11 ILE 72 HD11 ILE 72 1.014 0.693 -3.054 549 HD12 ILE 72 HD12 ILE 72 1.854 1.865 -2.040 550 HD13 ILE 72 HD13 ILE 72 2.524 1.415 -3.607 551 H ASP 73 H ASP 73 0.214 6.378 -1.619 552 HA ASP 73 HA ASP 73 -1.855 6.398 0.310 553 HB2 ASP 73 HB3 ASP 73 0.105 8.569 -0.487 554 HB3 ASP 73 HB2 ASP 73 -0.901 8.624 0.958 555 H ALA 74 H ALA 74 -1.434 8.343 -2.637 556 HA ALA 74 HA ALA 74 -3.622 10.123 -2.156 557 HB1 ALA 74 HB1 ALA 74 -1.713 9.806 -4.150 558 HB2 ALA 74 HB2 ALA 74 -3.019 10.991 -4.157 559 HB3 ALA 74 HB3 ALA 74 -3.229 9.442 -4.973 560 H PHE 75 H PHE 75 -3.446 6.987 -3.826 561 HA PHE 75 HA PHE 75 -6.186 6.940 -4.660 562 HB2 PHE 75 HB3 PHE 75 -4.409 5.409 -5.524 563 HB3 PHE 75 HB2 PHE 75 -4.427 4.583 -3.969 564 HD1 PHE 75 HD1 PHE 75 -6.419 5.364 -6.991 565 HD2 PHE 75 HD2 PHE 75 -6.218 3.096 -3.349 566 HE1 PHE 75 HE1 PHE 75 -8.352 4.000 -7.734 567 HE2 PHE 75 HE2 PHE 75 -8.152 1.733 -4.092 568 HZ PHE 75 HZ PHE 75 -9.219 2.185 -6.284 569 H VAL 76 H VAL 76 -4.574 5.541 -1.796 570 HA VAL 76 HA VAL 76 -6.955 4.505 -0.609 571 HB VAL 76 HB VAL 76 -4.301 5.360 0.572 572 HG11 VAL 76 HG11 VAL 76 -6.695 4.008 1.827 573 HG12 VAL 76 HG12 VAL 76 -5.893 5.488 2.353 574 HG13 VAL 76 HG13 VAL 76 -5.077 3.934 2.524 575 HG21 VAL 76 HG21 VAL 76 -4.198 3.446 -0.961 576 HG22 VAL 76 HG22 VAL 76 -5.521 2.661 -0.098 577 HG23 VAL 76 HG23 VAL 76 -3.964 2.895 0.698 578 H VAL 77 H VAL 77 -5.292 7.636 -0.301 579 HA VAL 77 HA VAL 77 -6.870 8.713 1.789 580 HB VAL 77 HB VAL 77 -5.470 10.017 -0.555 581 HG11 VAL 77 HG11 VAL 77 -7.161 11.560 0.136 582 HG12 VAL 77 HG12 VAL 77 -5.663 12.093 0.899 583 HG13 VAL 77 HG13 VAL 77 -6.870 11.216 1.840 584 HG21 VAL 77 HG21 VAL 77 -4.409 8.738 1.604 585 HG22 VAL 77 HG22 VAL 77 -4.580 10.370 2.252 586 HG23 VAL 77 HG23 VAL 77 -3.624 10.095 0.795 587 H GLY 78 H GLY 78 -7.358 8.753 -1.739 588 HA2 GLY 78 HA3 GLY 78 -9.693 10.386 -1.740 589 HA3 GLY 78 HA2 GLY 78 -9.272 9.231 -3.003 590 H ALA 79 H ALA 79 -9.305 6.869 -1.346 591 HA ALA 79 HA ALA 79 -12.195 6.429 -1.316 592 HB1 ALA 79 HB1 ALA 79 -11.598 4.111 -0.706 593 HB2 ALA 79 HB2 ALA 79 -9.917 4.603 -0.496 594 HB3 ALA 79 HB3 ALA 79 -10.661 4.663 -2.094 595 H THR 80 H THR 80 -9.608 6.287 1.133 596 HA THR 80 HA THR 80 -11.664 6.975 3.183 597 HB THR 80 HB THR 80 -10.845 5.332 4.703 598 HG1 THR 80 HG1 THR 80 -8.692 5.404 4.466 599 HG21 THR 80 HG21 THR 80 -10.593 3.728 2.196 600 HG22 THR 80 HG22 THR 80 -12.108 4.584 2.481 601 HG23 THR 80 HG23 THR 80 -11.533 3.396 3.651 602 H THR 81 H THR 81 -10.824 8.291 4.894 603 HA THR 81 HA THR 81 -7.969 9.071 4.656 604 HB THR 81 HB THR 81 -9.076 10.741 3.339 605 HG1 THR 81 HG1 THR 81 -8.403 12.462 4.448 606 HG21 THR 81 HG21 THR 81 -11.190 10.321 5.314 607 HG22 THR 81 HG22 THR 81 -11.300 10.938 3.665 608 HG23 THR 81 HG23 THR 81 -10.897 12.030 4.990 609 HA PRO 82 HA PRO 82 -9.178 8.712 9.059 610 HB2 PRO 82 HB2 PRO 82 -7.142 7.074 9.828 611 HB3 PRO 82 HB3 PRO 82 -8.636 6.470 9.088 612 HG2 PRO 82 HG3 PRO 82 -5.938 6.701 7.947 613 HG3 PRO 82 HG2 PRO 82 -7.265 5.623 7.502 614 HD2 PRO 82 HD3 PRO 82 -6.477 8.025 6.166 615 HD3 PRO 82 HD2 PRO 82 -7.890 7.009 5.808 616 HA PRO 83 HA PRO 83 -6.346 11.869 10.414 617 HB2 PRO 83 HB2 PRO 83 -6.516 11.537 13.142 618 HB3 PRO 83 HB3 PRO 83 -7.749 12.354 12.164 619 HG2 PRO 83 HG3 PRO 83 -7.722 9.591 13.256 620 HG3 PRO 83 HG2 PRO 83 -9.071 10.726 13.079 621 HD2 PRO 83 HD3 PRO 83 -8.660 8.632 11.367 622 HD3 PRO 83 HD2 PRO 83 -9.448 10.146 10.873 623 H VAL 84 H VAL 84 -4.137 11.992 10.756 624 HA VAL 84 HA VAL 84 -2.806 9.688 12.113 625 HB VAL 84 HB VAL 84 -2.647 9.484 9.607 626 HG11 VAL 84 HG11 VAL 84 -0.929 11.971 9.849 627 HG12 VAL 84 HG12 VAL 84 -2.579 11.975 9.226 628 HG13 VAL 84 HG13 VAL 84 -1.316 11.087 8.375 629 HG21 VAL 84 HG21 VAL 84 -0.931 8.438 10.936 630 HG22 VAL 84 HG22 VAL 84 -0.136 9.985 11.227 631 HG23 VAL 84 HG23 VAL 84 -0.116 9.274 9.614 632 H GLU 85 H GLU 85 -1.111 10.299 13.455 633 HA GLU 85 HA GLU 85 -0.905 13.062 14.229 634 HB2 GLU 85 HB3 GLU 85 0.920 10.706 14.801 635 HB3 GLU 85 HB2 GLU 85 1.035 12.277 15.595 636 HG2 GLU 85 HG3 GLU 85 -1.304 12.021 16.394 637 HG3 GLU 85 HG2 GLU 85 -1.362 10.420 15.655 638 H ALA 86 H ALA 86 1.004 10.985 12.101 639 HA ALA 86 HA ALA 86 1.942 12.926 10.368 640 HB1 ALA 86 HB1 ALA 86 3.185 14.251 11.756 641 HB2 ALA 86 HB2 ALA 86 4.399 12.990 11.537 642 HB3 ALA 86 HB3 ALA 86 3.367 12.982 12.967 643 H LYS 87 H LYS 87 3.584 12.076 8.921 644 HA LYS 87 HA LYS 87 3.699 9.170 8.925 645 HB2 LYS 87 HB3 LYS 87 3.592 10.589 6.841 646 HB3 LYS 87 HB2 LYS 87 5.254 11.085 7.165 647 HG2 LYS 87 HG3 LYS 87 5.960 8.709 7.119 648 HG3 LYS 87 HG2 LYS 87 4.303 8.236 6.746 649 HD2 LYS 87 HD3 LYS 87 4.411 9.672 4.695 650 HD3 LYS 87 HD2 LYS 87 6.114 9.972 5.043 651 HE2 LYS 87 HE3 LYS 87 4.938 7.712 3.715 652 HE3 LYS 87 HE2 LYS 87 6.645 8.052 3.998 653 HZ1 LYS 87 HZ1 LYS 87 6.402 7.111 6.228 654 HZ2 LYS 87 HZ2 LYS 87 6.031 5.976 5.023 655 HZ3 LYS 87 HZ3 LYS 87 4.781 6.728 5.893 656 H LEU 88 H LEU 88 5.347 7.886 9.660 657 HA LEU 88 HA LEU 88 7.612 9.241 11.009 658 HB2 LEU 88 HB3 LEU 88 6.848 6.305 11.007 659 HB3 LEU 88 HB2 LEU 88 8.014 7.087 12.075 660 HG LEU 88 HG LEU 88 5.035 7.641 11.954 661 HD11 LEU 88 HD11 LEU 88 4.888 6.043 13.531 662 HD12 LEU 88 HD12 LEU 88 6.006 6.953 14.547 663 HD13 LEU 88 HD13 LEU 88 6.623 5.753 13.411 664 HD21 LEU 88 HD21 LEU 88 5.751 8.997 14.093 665 HD22 LEU 88 HD22 LEU 88 5.943 9.727 12.499 666 HD23 LEU 88 HD23 LEU 88 7.335 9.018 13.318 667 H GLN 89 H GLN 89 9.757 8.924 10.383 668 HA GLN 89 HA GLN 89 10.284 8.305 7.644 669 HB2 GLN 89 HB3 GLN 89 11.745 9.730 9.092 670 HB3 GLN 89 HB2 GLN 89 12.249 8.277 9.955 671 HG2 GLN 89 HG3 GLN 89 13.122 7.320 7.863 672 HG3 GLN 89 HG2 GLN 89 12.596 8.753 6.979 673 HE21 GLN 89 HE22 GLN 89 15.290 8.239 6.826 674 HE22 GLN 89 HE21 GLN 89 16.171 9.308 7.806 675 H1 PN7 101 3HO SAT 38 -0.661 -5.535 -15.203 676 H2 PN7 101 1H1 SAT 38 2.534 -5.584 -11.886 677 H3 PN7 101 2H1 SAT 38 0.998 -5.980 -11.116 678 H5 PN7 101 3HE1 SAT 38 1.390 -5.786 -14.899 679 H6 PN7 101 1HE1 SAT 38 2.623 -4.789 -14.126 680 H7 PN7 101 2HE1 SAT 38 1.223 -4.030 -14.884 681 H8 PN7 101 2HE2 SAT 38 1.692 -3.091 -12.468 682 H9 PN7 101 3HE2 SAT 38 0.495 -3.679 -11.314 683 H10 PN7 101 1HE2 SAT 38 -0.026 -2.997 -12.854 684 H11 PN7 101 3H SAT 38 -0.612 -6.562 -13.258 685 H12 PN7 101 5H SAT 38 -2.124 -3.083 -12.346 686 H13 PN7 101 2H6 SAT 38 -4.010 -3.775 -13.795 687 H14 PN7 101 1H6 SAT 38 -4.464 -4.133 -12.129 688 H15 PN7 101 1H7 SAT 38 -3.014 -6.115 -13.902 689 H16 PN7 101 2H7 SAT 38 -4.772 -6.051 -13.773 690 H17 PN7 101 9H SAT 38 -1.823 -7.025 -12.056 691 H18 PN7 101 2H10 SAT 38 -2.762 -8.420 -9.931 692 H19 PN7 101 1H10 SAT 38 -1.912 -9.258 -11.230 693 H20 PN7 101 1H11 SAT 38 -4.892 -8.905 -10.873 694 H21 PN7 101 2H11 SAT 38 -3.982 -10.409 -11.016 695 H22 PN7 101 2HS1 SAT 38 -5.203 -9.157 -13.325 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -3.934 14.414 -2.103 2 H2 MET 1 H2 MET 1 -2.402 14.687 -2.783 3 H3 MET 1 H3 MET 1 -2.854 15.485 -1.354 4 HA MET 1 HA MET 1 -2.475 12.557 -1.646 5 HB2 MET 1 HB3 MET 1 -0.764 14.757 -0.481 6 HB3 MET 1 HB2 MET 1 -0.553 13.065 -0.034 7 HG2 MET 1 HG3 MET 1 -0.271 12.490 -2.435 8 HG3 MET 1 HG2 MET 1 -0.395 14.203 -2.836 9 HE1 MET 1 HE1 MET 1 0.799 15.931 -1.703 10 HE2 MET 1 HE2 MET 1 2.537 15.913 -1.415 11 HE3 MET 1 HE3 MET 1 1.418 15.458 -0.123 12 H GLN 2 H GLN 2 -4.192 11.824 -0.459 13 HA GLN 2 HA GLN 2 -4.748 13.116 2.168 14 HB2 GLN 2 HB3 GLN 2 -6.653 12.723 0.588 15 HB3 GLN 2 HB2 GLN 2 -6.339 10.992 0.697 16 HG2 GLN 2 HG3 GLN 2 -8.075 11.453 2.277 17 HG3 GLN 2 HG2 GLN 2 -6.601 11.228 3.218 18 HE21 GLN 2 HE22 GLN 2 -6.265 12.832 4.754 19 HE22 GLN 2 HE21 GLN 2 -6.840 14.426 4.646 20 H HIS 3 H HIS 3 -3.814 12.173 3.921 21 HA HIS 3 HA HIS 3 -2.740 10.555 5.242 22 HB2 HIS 3 HB3 HIS 3 -4.690 8.732 3.799 23 HB3 HIS 3 HB2 HIS 3 -3.835 8.349 5.292 24 HD1 HIS 3 HD1 HIS 3 -4.175 10.778 6.988 25 HD2 HIS 3 HD2 HIS 3 -7.268 9.357 4.576 26 HE1 HIS 3 HE1 HIS 3 -6.327 11.688 7.970 27 HE2 HIS 3 HE2 HIS 3 -8.215 10.829 6.509 28 H ALA 4 H ALA 4 -1.596 11.165 2.612 29 HA ALA 4 HA ALA 4 -0.761 8.811 1.237 30 HB1 ALA 4 HB1 ALA 4 1.263 10.359 0.636 31 HB2 ALA 4 HB2 ALA 4 0.335 11.600 1.477 32 HB3 ALA 4 HB3 ALA 4 -0.348 10.793 0.064 33 H SER 5 H SER 5 0.489 10.431 4.112 34 HA SER 5 HA SER 5 2.995 9.079 4.261 35 HB2 SER 5 HB3 SER 5 3.029 9.750 6.589 36 HB3 SER 5 HB2 SER 5 2.317 11.060 5.650 37 HG SER 5 HG SER 5 1.250 9.627 7.652 38 H VAL 6 H VAL 6 -0.255 8.100 5.233 39 HA VAL 6 HA VAL 6 0.519 5.841 6.811 40 HB VAL 6 HB VAL 6 -1.975 6.393 5.204 41 HG11 VAL 6 HG11 VAL 6 -1.058 3.966 6.598 42 HG12 VAL 6 HG12 VAL 6 -2.339 4.157 5.401 43 HG13 VAL 6 HG13 VAL 6 -2.655 4.520 7.097 44 HG21 VAL 6 HG21 VAL 6 -2.770 7.405 7.085 45 HG22 VAL 6 HG22 VAL 6 -1.068 7.539 7.527 46 HG23 VAL 6 HG23 VAL 6 -2.038 6.203 8.147 47 H ILE 7 H ILE 7 -0.159 6.204 3.351 48 HA ILE 7 HA ILE 7 0.061 3.462 2.643 49 HB ILE 7 HB ILE 7 0.836 5.904 1.021 50 HG12 ILE 7 HG13 ILE 7 -1.774 4.360 1.076 51 HG13 ILE 7 HG12 ILE 7 -1.508 5.859 1.968 52 HG21 ILE 7 HG21 ILE 7 1.707 3.827 0.052 53 HG22 ILE 7 HG22 ILE 7 0.351 4.411 -0.913 54 HG23 ILE 7 HG23 ILE 7 0.123 3.068 0.207 55 HD11 ILE 7 HD11 ILE 7 -1.281 5.515 -1.036 56 HD12 ILE 7 HD12 ILE 7 -0.958 7.009 -0.156 57 HD13 ILE 7 HD13 ILE 7 -2.588 6.336 -0.182 58 H ALA 8 H ALA 8 2.546 6.008 2.838 59 HA ALA 8 HA ALA 8 4.730 4.370 1.973 60 HB1 ALA 8 HB1 ALA 8 4.370 7.009 3.167 61 HB2 ALA 8 HB2 ALA 8 5.609 6.451 2.042 62 HB3 ALA 8 HB3 ALA 8 5.813 6.197 3.776 63 H GLN 9 H GLN 9 3.540 5.171 5.233 64 HA GLN 9 HA GLN 9 5.462 3.492 6.561 65 HB2 GLN 9 HB3 GLN 9 4.545 4.276 8.491 66 HB3 GLN 9 HB2 GLN 9 3.783 5.440 7.414 67 HG2 GLN 9 HG3 GLN 9 1.999 4.606 8.709 68 HG3 GLN 9 HG2 GLN 9 1.884 3.704 7.205 69 HE21 GLN 9 HE22 GLN 9 1.044 1.718 8.016 70 HE22 GLN 9 HE21 GLN 9 1.860 0.755 9.150 71 H PHE 10 H PHE 10 2.231 2.935 5.277 72 HA PHE 10 HA PHE 10 1.716 0.446 6.549 73 HB2 PHE 10 HB3 PHE 10 0.118 1.828 5.129 74 HB3 PHE 10 HB2 PHE 10 0.932 1.164 3.714 75 HD1 PHE 10 HD1 PHE 10 -1.197 0.396 6.624 76 HD2 PHE 10 HD2 PHE 10 0.672 -1.177 3.091 77 HE1 PHE 10 HE1 PHE 10 -2.609 -1.635 6.784 78 HE2 PHE 10 HE2 PHE 10 -0.740 -3.211 3.252 79 HZ PHE 10 HZ PHE 10 -2.383 -3.437 5.097 80 H VAL 11 H VAL 11 3.189 1.075 3.350 81 HA VAL 11 HA VAL 11 3.908 -1.713 2.988 82 HB VAL 11 HB VAL 11 5.099 -0.894 0.995 83 HG11 VAL 11 HG11 VAL 11 2.735 0.788 0.737 84 HG12 VAL 11 HG12 VAL 11 2.361 -0.749 1.517 85 HG13 VAL 11 HG13 VAL 11 3.119 -0.729 -0.076 86 HG21 VAL 11 HG21 VAL 11 6.094 1.140 1.592 87 HG22 VAL 11 HG22 VAL 11 4.625 1.743 2.357 88 HG23 VAL 11 HG23 VAL 11 4.738 1.675 0.600 89 H VAL 12 H VAL 12 5.765 1.237 3.788 90 HA VAL 12 HA VAL 12 8.315 -0.029 3.913 91 HB VAL 12 HB VAL 12 7.254 2.439 5.279 92 HG11 VAL 12 HG11 VAL 12 9.991 1.180 5.260 93 HG12 VAL 12 HG12 VAL 12 9.091 1.836 6.628 94 HG13 VAL 12 HG13 VAL 12 9.800 2.925 5.435 95 HG21 VAL 12 HG21 VAL 12 8.995 1.966 2.842 96 HG22 VAL 12 HG22 VAL 12 8.652 3.554 3.528 97 HG23 VAL 12 HG23 VAL 12 7.345 2.587 2.844 98 H GLU 13 H GLU 13 5.864 0.459 6.435 99 HA GLU 13 HA GLU 13 7.433 -0.396 8.637 100 HB2 GLU 13 HB3 GLU 13 5.175 0.632 8.838 101 HB3 GLU 13 HB2 GLU 13 4.476 -0.865 8.231 102 HG2 GLU 13 HG3 GLU 13 5.554 -2.083 10.130 103 HG3 GLU 13 HG2 GLU 13 6.090 -0.526 10.759 104 H GLU 14 H GLU 14 5.683 -2.233 6.198 105 HA GLU 14 HA GLU 14 5.901 -4.788 7.482 106 HB2 GLU 14 HB3 GLU 14 4.360 -4.271 5.585 107 HB3 GLU 14 HB2 GLU 14 5.759 -4.202 4.514 108 HG2 GLU 14 HG3 GLU 14 6.330 -6.538 5.167 109 HG3 GLU 14 HG2 GLU 14 4.856 -6.599 6.133 110 H PHE 15 H PHE 15 8.046 -3.058 5.236 111 HA PHE 15 HA PHE 15 9.898 -5.362 5.211 112 HB2 PHE 15 HB3 PHE 15 10.261 -2.663 3.893 113 HB3 PHE 15 HB2 PHE 15 11.106 -4.163 3.513 114 HD1 PHE 15 HD1 PHE 15 9.634 -6.187 2.788 115 HD2 PHE 15 HD2 PHE 15 8.299 -2.107 2.761 116 HE1 PHE 15 HE1 PHE 15 7.823 -6.789 1.206 117 HE2 PHE 15 HE2 PHE 15 6.487 -2.705 1.182 118 HZ PHE 15 HZ PHE 15 6.251 -5.049 0.401 119 H LEU 16 H LEU 16 10.217 -1.857 5.936 120 HA LEU 16 HA LEU 16 12.331 -2.611 7.919 121 HB2 LEU 16 HB3 LEU 16 12.565 -1.011 5.583 122 HB3 LEU 16 HB2 LEU 16 12.696 0.075 6.963 123 HG LEU 16 HG LEU 16 14.416 -1.409 7.953 124 HD11 LEU 16 HD11 LEU 16 14.544 -3.537 7.229 125 HD12 LEU 16 HD12 LEU 16 15.166 -2.941 5.690 126 HD13 LEU 16 HD13 LEU 16 13.433 -3.186 5.906 127 HD21 LEU 16 HD21 LEU 16 15.821 -1.154 5.508 128 HD22 LEU 16 HD22 LEU 16 15.813 -0.020 6.858 129 HD23 LEU 16 HD23 LEU 16 14.652 0.165 5.544 130 HA PRO 17 HA PRO 17 9.189 -0.130 10.155 131 HB2 PRO 17 HB2 PRO 17 8.824 -1.955 12.189 132 HB3 PRO 17 HB3 PRO 17 7.880 -1.922 10.691 133 HG2 PRO 17 HG3 PRO 17 9.847 -3.848 11.566 134 HG3 PRO 17 HG2 PRO 17 8.712 -3.937 10.217 135 HD2 PRO 17 HD3 PRO 17 11.556 -3.322 10.148 136 HD3 PRO 17 HD2 PRO 17 10.446 -3.595 8.788 137 H ASP 18 H ASP 18 12.204 -1.605 11.096 138 HA ASP 18 HA ASP 18 12.344 -0.326 13.710 139 HB2 ASP 18 HB3 ASP 18 14.662 -1.112 13.713 140 HB3 ASP 18 HB2 ASP 18 13.603 -2.405 13.158 141 H VAL 19 H VAL 19 12.449 0.823 10.617 142 HA VAL 19 HA VAL 19 14.216 3.119 11.362 143 HB VAL 19 HB VAL 19 13.426 2.162 8.588 144 HG11 VAL 19 HG11 VAL 19 15.436 4.244 9.502 145 HG12 VAL 19 HG12 VAL 19 13.867 4.596 8.777 146 HG13 VAL 19 HG13 VAL 19 15.113 3.782 7.831 147 HG21 VAL 19 HG21 VAL 19 15.557 1.366 10.428 148 HG22 VAL 19 HG22 VAL 19 16.187 1.958 8.891 149 HG23 VAL 19 HG23 VAL 19 15.046 0.614 8.917 150 H ALA 20 H ALA 20 13.274 5.212 11.158 151 HA ALA 20 HA ALA 20 10.453 5.376 11.435 152 HB1 ALA 20 HB1 ALA 20 12.683 7.275 11.092 153 HB2 ALA 20 HB2 ALA 20 11.314 7.337 12.202 154 HB3 ALA 20 HB3 ALA 20 11.119 7.870 10.532 155 HA PRO 21 HA PRO 21 9.644 4.680 7.022 156 HB2 PRO 21 HB2 PRO 21 6.852 5.108 7.368 157 HB3 PRO 21 HB3 PRO 21 7.697 3.560 7.223 158 HG2 PRO 21 HG3 PRO 21 6.504 4.741 9.539 159 HG3 PRO 21 HG2 PRO 21 7.246 3.148 9.359 160 HD2 PRO 21 HD3 PRO 21 8.290 5.422 10.749 161 HD3 PRO 21 HD2 PRO 21 9.052 3.835 10.529 162 H ALA 22 H ALA 22 8.312 7.354 8.905 163 HA ALA 22 HA ALA 22 7.627 8.976 6.599 164 HB1 ALA 22 HB1 ALA 22 7.689 10.846 8.384 165 HB2 ALA 22 HB2 ALA 22 7.998 9.551 9.542 166 HB3 ALA 22 HB3 ALA 22 6.503 9.559 8.606 167 H ASP 23 H ASP 23 10.541 8.142 8.156 168 HA ASP 23 HA ASP 23 11.978 10.559 7.247 169 HB2 ASP 23 HB3 ASP 23 12.901 8.079 8.732 170 HB3 ASP 23 HB2 ASP 23 13.954 9.429 8.306 171 H VAL 24 H VAL 24 10.862 7.877 5.786 172 HA VAL 24 HA VAL 24 13.299 7.435 4.131 173 HB VAL 24 HB VAL 24 10.678 5.902 4.158 174 HG11 VAL 24 HG11 VAL 24 13.380 5.346 2.897 175 HG12 VAL 24 HG12 VAL 24 11.878 5.697 2.043 176 HG13 VAL 24 HG13 VAL 24 12.045 4.195 2.951 177 HG21 VAL 24 HG21 VAL 24 13.293 5.533 5.618 178 HG22 VAL 24 HG22 VAL 24 12.254 4.154 5.262 179 HG23 VAL 24 HG23 VAL 24 11.654 5.473 6.266 180 H ASP 25 H ASP 25 13.317 8.092 1.993 181 HA ASP 25 HA ASP 25 11.502 10.100 1.134 182 HB2 ASP 25 HB3 ASP 25 13.343 8.306 -0.477 183 HB3 ASP 25 HB2 ASP 25 12.506 9.713 -1.134 184 H VAL 26 H VAL 26 9.341 9.448 1.228 185 HA VAL 26 HA VAL 26 8.329 6.946 0.290 186 HB VAL 26 HB VAL 26 6.140 8.017 0.324 187 HG11 VAL 26 HG11 VAL 26 7.534 7.609 2.483 188 HG12 VAL 26 HG12 VAL 26 6.096 8.622 2.600 189 HG13 VAL 26 HG13 VAL 26 7.694 9.364 2.528 190 HG21 VAL 26 HG21 VAL 26 7.823 10.477 0.047 191 HG22 VAL 26 HG22 VAL 26 6.313 10.604 0.949 192 HG23 VAL 26 HG23 VAL 26 6.294 10.074 -0.733 193 H ASP 27 H ASP 27 9.983 9.103 -1.485 194 HA ASP 27 HA ASP 27 8.277 9.030 -3.894 195 HB2 ASP 27 HB3 ASP 27 11.035 10.189 -3.381 196 HB3 ASP 27 HB2 ASP 27 10.184 10.299 -4.922 197 H LEU 28 H LEU 28 9.944 6.757 -2.415 198 HA LEU 28 HA LEU 28 11.634 5.796 -4.614 199 HB2 LEU 28 HB3 LEU 28 12.216 5.416 -2.211 200 HB3 LEU 28 HB2 LEU 28 10.800 4.380 -2.070 201 HG LEU 28 HG LEU 28 11.728 2.988 -3.959 202 HD11 LEU 28 HD11 LEU 28 13.932 4.998 -3.634 203 HD12 LEU 28 HD12 LEU 28 13.277 4.286 -5.108 204 HD13 LEU 28 HD13 LEU 28 14.349 3.342 -4.074 205 HD21 LEU 28 HD21 LEU 28 12.174 1.852 -2.029 206 HD22 LEU 28 HD22 LEU 28 12.854 3.273 -1.235 207 HD23 LEU 28 HD23 LEU 28 13.838 2.335 -2.359 208 H ASP 29 H ASP 29 11.016 4.346 -6.149 209 HA ASP 29 HA ASP 29 8.239 3.742 -6.496 210 HB2 ASP 29 HB3 ASP 29 10.711 2.531 -7.768 211 HB3 ASP 29 HB2 ASP 29 9.063 2.193 -8.297 212 H LEU 30 H LEU 30 7.078 2.216 -5.440 213 HA LEU 30 HA LEU 30 8.270 0.411 -3.576 214 HB2 LEU 30 HB3 LEU 30 5.536 0.222 -4.888 215 HB3 LEU 30 HB2 LEU 30 6.038 -0.627 -3.425 216 HG LEU 30 HG LEU 30 5.860 2.381 -3.768 217 HD11 LEU 30 HD11 LEU 30 4.015 0.302 -2.846 218 HD12 LEU 30 HD12 LEU 30 3.691 1.989 -3.246 219 HD13 LEU 30 HD13 LEU 30 4.275 1.561 -1.638 220 HD21 LEU 30 HD21 LEU 30 7.028 0.596 -1.668 221 HD22 LEU 30 HD22 LEU 30 6.181 2.048 -1.137 222 HD23 LEU 30 HD23 LEU 30 7.570 2.183 -2.215 223 H VAL 31 H VAL 31 8.356 0.322 -6.907 224 HA VAL 31 HA VAL 31 7.826 -2.332 -7.621 225 HB VAL 31 HB VAL 31 10.066 -0.502 -8.526 226 HG11 VAL 31 HG11 VAL 31 10.968 -2.446 -9.322 227 HG12 VAL 31 HG12 VAL 31 9.736 -2.260 -10.569 228 HG13 VAL 31 HG13 VAL 31 9.444 -3.323 -9.193 229 HG21 VAL 31 HG21 VAL 31 8.538 0.378 -9.930 230 HG22 VAL 31 HG22 VAL 31 7.313 -0.451 -8.969 231 HG23 VAL 31 HG23 VAL 31 7.966 -1.218 -10.418 232 H ASP 32 H ASP 32 10.742 -0.978 -6.116 233 HA ASP 32 HA ASP 32 12.259 -3.384 -5.982 234 HB2 ASP 32 HB3 ASP 32 12.121 -1.044 -4.046 235 HB3 ASP 32 HB2 ASP 32 13.334 -2.322 -3.966 236 H ASN 33 H ASN 33 9.628 -2.097 -4.067 237 HA ASN 33 HA ASN 33 9.700 -4.278 -2.114 238 HB2 ASN 33 HB3 ASN 33 7.626 -2.129 -2.611 239 HB3 ASN 33 HB2 ASN 33 7.643 -3.228 -1.235 240 HD21 ASN 33 HD22 ASN 33 10.844 -2.573 -1.984 241 HD22 ASN 33 HD21 ASN 33 11.112 -1.286 -0.912 242 H GLY 34 H GLY 34 9.209 -4.518 -5.170 243 HA2 GLY 34 HA3 GLY 34 6.675 -5.257 -5.915 244 HA3 GLY 34 HA2 GLY 34 8.090 -6.174 -6.429 245 H VAL 35 H VAL 35 8.455 -6.667 -3.354 246 HA VAL 35 HA VAL 35 7.486 -9.309 -3.257 247 HB VAL 35 HB VAL 35 7.904 -7.305 -1.013 248 HG11 VAL 35 HG11 VAL 35 7.988 -9.351 0.448 249 HG12 VAL 35 HG12 VAL 35 7.373 -10.287 -0.915 250 HG13 VAL 35 HG13 VAL 35 6.386 -9.009 -0.205 251 HG21 VAL 35 HG21 VAL 35 9.674 -9.649 -1.356 252 HG22 VAL 35 HG22 VAL 35 10.084 -7.971 -0.999 253 HG23 VAL 35 HG23 VAL 35 9.752 -8.464 -2.660 254 H ILE 36 H ILE 36 5.962 -6.251 -2.352 255 HA ILE 36 HA ILE 36 3.496 -7.438 -1.423 256 HB ILE 36 HB ILE 36 4.405 -5.073 -0.926 257 HG12 ILE 36 HG13 ILE 36 1.537 -5.307 -1.880 258 HG13 ILE 36 HG12 ILE 36 2.122 -5.906 -0.330 259 HG21 ILE 36 HG21 ILE 36 2.859 -4.176 -3.304 260 HG22 ILE 36 HG22 ILE 36 4.486 -4.793 -3.596 261 HG23 ILE 36 HG23 ILE 36 4.243 -3.421 -2.514 262 HD11 ILE 36 HD11 ILE 36 1.729 -3.855 0.515 263 HD12 ILE 36 HD12 ILE 36 1.417 -3.195 -1.091 264 HD13 ILE 36 HD13 ILE 36 3.068 -3.273 -0.475 265 H ASP 37 H ASP 37 4.851 -6.758 -4.490 266 HA ASP 37 HA ASP 37 2.990 -6.116 -6.307 267 HB2 ASP 37 HB3 ASP 37 5.163 -7.016 -6.970 268 HB3 ASP 37 HB2 ASP 37 4.659 -8.636 -6.484 269 H SER 38 H SER 38 3.164 -9.618 -5.668 270 HA SER 38 HA SER 38 0.186 -9.642 -5.982 271 HB2 SER 38 2HB SER 38 2.055 -11.946 -6.523 272 HB3 SER 38 1HB SER 38 0.362 -11.800 -6.986 273 H LEU 39 H LEU 39 2.841 -11.081 -4.077 274 HA LEU 39 HA LEU 39 1.108 -12.789 -2.553 275 HB2 LEU 39 HB3 LEU 39 3.822 -11.623 -1.956 276 HB3 LEU 39 HB2 LEU 39 3.014 -12.751 -0.877 277 HG LEU 39 HG LEU 39 2.779 -14.217 -3.043 278 HD11 LEU 39 HD11 LEU 39 3.590 -12.630 -4.668 279 HD12 LEU 39 HD12 LEU 39 4.808 -13.894 -4.513 280 HD13 LEU 39 HD13 LEU 39 5.052 -12.335 -3.728 281 HD21 LEU 39 HD21 LEU 39 4.104 -14.804 -1.045 282 HD22 LEU 39 HD22 LEU 39 5.440 -13.822 -1.646 283 HD23 LEU 39 HD23 LEU 39 4.946 -15.269 -2.524 284 H GLY 40 H GLY 40 2.565 -9.646 -1.698 285 HA2 GLY 40 HA3 GLY 40 0.929 -9.398 0.681 286 HA3 GLY 40 HA2 GLY 40 1.929 -8.133 -0.007 287 H LEU 41 H LEU 41 0.762 -8.038 -2.609 288 HA LEU 41 HA LEU 41 -1.385 -6.246 -2.178 289 HB2 LEU 41 HB3 LEU 41 -0.060 -6.395 -4.293 290 HB3 LEU 41 HB2 LEU 41 -0.877 -7.911 -4.663 291 HG LEU 41 HG LEU 41 -3.075 -6.589 -4.422 292 HD11 LEU 41 HD11 LEU 41 -1.239 -4.557 -3.696 293 HD12 LEU 41 HD12 LEU 41 -2.980 -4.400 -3.922 294 HD13 LEU 41 HD13 LEU 41 -1.886 -4.108 -5.273 295 HD21 LEU 41 HD21 LEU 41 -2.792 -5.622 -6.748 296 HD22 LEU 41 HD22 LEU 41 -2.333 -7.318 -6.590 297 HD23 LEU 41 HD23 LEU 41 -1.089 -6.069 -6.647 298 H LEU 42 H LEU 42 -1.475 -9.697 -3.082 299 HA LEU 42 HA LEU 42 -4.339 -9.867 -3.162 300 HB2 LEU 42 HB3 LEU 42 -2.748 -11.604 -4.070 301 HB3 LEU 42 HB2 LEU 42 -2.401 -12.074 -2.411 302 HG LEU 42 HG LEU 42 -5.019 -12.247 -2.218 303 HD11 LEU 42 HD11 LEU 42 -4.907 -11.381 -4.775 304 HD12 LEU 42 HD12 LEU 42 -6.214 -12.393 -4.161 305 HD13 LEU 42 HD13 LEU 42 -4.874 -13.122 -5.047 306 HD21 LEU 42 HD21 LEU 42 -3.035 -14.160 -3.405 307 HD22 LEU 42 HD22 LEU 42 -4.734 -14.630 -3.345 308 HD23 LEU 42 HD23 LEU 42 -3.874 -14.242 -1.855 309 H LYS 43 H LYS 43 -1.949 -10.316 -0.599 310 HA LYS 43 HA LYS 43 -3.732 -11.179 1.457 311 HB2 LYS 43 HB3 LYS 43 -1.232 -11.284 1.557 312 HB3 LYS 43 HB2 LYS 43 -1.214 -9.535 1.754 313 HG2 LYS 43 HG3 LYS 43 -2.562 -9.740 3.807 314 HG3 LYS 43 HG2 LYS 43 -2.590 -11.493 3.610 315 HD2 LYS 43 HD3 LYS 43 -0.827 -11.037 5.164 316 HD3 LYS 43 HD2 LYS 43 -0.044 -11.416 3.630 317 HE2 LYS 43 HE3 LYS 43 0.503 -9.169 3.208 318 HE3 LYS 43 HE2 LYS 43 -0.701 -8.563 4.345 319 HZ1 LYS 43 HZ1 LYS 43 1.047 -10.227 5.745 320 HZ2 LYS 43 HZ2 LYS 43 0.844 -8.551 5.907 321 HZ3 LYS 43 HZ3 LYS 43 1.995 -9.164 4.818 322 H VAL 44 H VAL 44 -2.724 -7.958 0.376 323 HA VAL 44 HA VAL 44 -3.909 -6.448 2.468 324 HB VAL 44 HB VAL 44 -3.413 -5.776 -0.439 325 HG11 VAL 44 HG11 VAL 44 -4.813 -4.032 -0.044 326 HG12 VAL 44 HG12 VAL 44 -3.491 -3.394 0.933 327 HG13 VAL 44 HG13 VAL 44 -4.798 -4.297 1.699 328 HG21 VAL 44 HG21 VAL 44 -1.902 -4.451 1.711 329 HG22 VAL 44 HG22 VAL 44 -1.317 -5.206 0.228 330 HG23 VAL 44 HG23 VAL 44 -1.657 -6.196 1.647 331 H ILE 45 H ILE 45 -5.291 -7.485 -0.659 332 HA ILE 45 HA ILE 45 -7.791 -6.180 -0.352 333 HB ILE 45 HB ILE 45 -7.241 -8.823 -1.734 334 HG12 ILE 45 HG13 ILE 45 -5.686 -7.168 -2.580 335 HG13 ILE 45 HG12 ILE 45 -6.972 -7.355 -3.769 336 HG21 ILE 45 HG21 ILE 45 -9.566 -7.105 -1.443 337 HG22 ILE 45 HG22 ILE 45 -9.453 -8.727 -2.125 338 HG23 ILE 45 HG23 ILE 45 -9.125 -7.321 -3.136 339 HD11 ILE 45 HD11 ILE 45 -8.105 -5.383 -2.471 340 HD12 ILE 45 HD12 ILE 45 -6.797 -5.027 -3.599 341 HD13 ILE 45 HD13 ILE 45 -6.476 -5.080 -1.866 342 H ALA 46 H ALA 46 -6.776 -9.466 0.601 343 HA ALA 46 HA ALA 46 -9.330 -10.236 1.662 344 HB1 ALA 46 HB1 ALA 46 -7.773 -11.839 3.046 345 HB2 ALA 46 HB2 ALA 46 -6.504 -11.200 2.000 346 HB3 ALA 46 HB3 ALA 46 -7.888 -12.039 1.298 347 H TRP 47 H TRP 47 -6.434 -8.828 3.195 348 HA TRP 47 HA TRP 47 -7.608 -8.782 5.839 349 HB2 TRP 47 HB3 TRP 47 -5.308 -8.645 5.987 350 HB3 TRP 47 HB2 TRP 47 -5.169 -7.651 4.538 351 HD1 TRP 47 HD1 TRP 47 -5.927 -7.423 8.276 352 HE1 TRP 47 HE1 TRP 47 -5.730 -4.957 9.005 353 HE3 TRP 47 HE3 TRP 47 -5.336 -5.207 3.722 354 HZ2 TRP 47 HZ2 TRP 47 -5.365 -2.381 7.805 355 HZ3 TRP 47 HZ3 TRP 47 -5.062 -2.754 3.537 356 HH2 TRP 47 HH2 TRP 47 -5.076 -1.341 5.569 357 H LEU 48 H LEU 48 -7.336 -6.434 3.196 358 HA LEU 48 HA LEU 48 -8.351 -4.171 4.566 359 HB2 LEU 48 HB3 LEU 48 -7.337 -4.185 2.264 360 HB3 LEU 48 HB2 LEU 48 -8.828 -4.895 1.662 361 HG LEU 48 HG LEU 48 -9.922 -2.844 2.916 362 HD11 LEU 48 HD11 LEU 48 -7.400 -2.330 3.604 363 HD12 LEU 48 HD12 LEU 48 -8.551 -1.028 3.296 364 HD13 LEU 48 HD13 LEU 48 -7.404 -1.508 2.046 365 HD21 LEU 48 HD21 LEU 48 -10.241 -3.092 0.575 366 HD22 LEU 48 HD22 LEU 48 -8.523 -2.884 0.240 367 HD23 LEU 48 HD23 LEU 48 -9.496 -1.503 0.748 368 H GLU 49 H GLU 49 -10.050 -6.765 2.805 369 HA GLU 49 HA GLU 49 -12.683 -5.685 3.168 370 HB2 GLU 49 HB3 GLU 49 -12.247 -7.452 1.531 371 HB3 GLU 49 HB2 GLU 49 -11.765 -8.555 2.813 372 HG2 GLU 49 HG3 GLU 49 -14.029 -8.422 3.772 373 HG3 GLU 49 HG2 GLU 49 -14.513 -7.340 2.475 374 H ASP 50 H ASP 50 -10.725 -7.941 5.087 375 HA ASP 50 HA ASP 50 -12.722 -8.494 7.056 376 HB2 ASP 50 HB3 ASP 50 -10.595 -9.784 6.715 377 HB3 ASP 50 HB2 ASP 50 -9.730 -8.437 7.452 378 H ARG 51 H ARG 51 -10.270 -5.956 6.802 379 HA ARG 51 HA ARG 51 -10.972 -4.879 9.439 380 HB2 ARG 51 HB3 ARG 51 -8.638 -4.858 8.521 381 HB3 ARG 51 HB2 ARG 51 -9.172 -3.673 7.328 382 HG2 ARG 51 HG3 ARG 51 -9.882 -2.165 9.163 383 HG3 ARG 51 HG2 ARG 51 -9.295 -3.339 10.340 384 HD2 ARG 51 HD3 ARG 51 -7.023 -3.169 9.280 385 HD3 ARG 51 HD2 ARG 51 -7.644 -1.865 8.270 386 HE ARG 51 HE ARG 51 -6.852 -1.611 11.029 387 HH11 ARG 51 HH22 ARG 51 -9.176 -0.625 8.678 388 HH12 ARG 51 HH21 ARG 51 -9.500 0.894 9.443 389 HH21 ARG 51 HH11 ARG 51 -7.262 0.368 12.038 390 HH22 ARG 51 HH12 ARG 51 -8.417 1.456 11.344 391 H PHE 52 H PHE 52 -11.280 -3.698 6.044 392 HA PHE 52 HA PHE 52 -12.979 -1.502 7.087 393 HB2 PHE 52 HB3 PHE 52 -11.739 -1.981 4.368 394 HB3 PHE 52 HB2 PHE 52 -12.710 -0.575 4.795 395 HD1 PHE 52 HD1 PHE 52 -11.935 0.969 6.625 396 HD2 PHE 52 HD2 PHE 52 -9.463 -2.174 5.057 397 HE1 PHE 52 HE1 PHE 52 -9.935 2.043 7.623 398 HE2 PHE 52 HE2 PHE 52 -7.463 -1.099 6.052 399 HZ PHE 52 HZ PHE 52 -7.699 1.009 7.336 400 H GLY 53 H GLY 53 -13.444 -4.593 5.812 401 HA2 GLY 53 HA3 GLY 53 -15.459 -5.635 5.145 402 HA3 GLY 53 HA2 GLY 53 -16.287 -4.130 5.538 403 H ILE 54 H ILE 54 -13.590 -4.084 3.315 404 HA ILE 54 HA ILE 54 -15.434 -3.150 1.203 405 HB ILE 54 HB ILE 54 -12.409 -3.354 1.244 406 HG12 ILE 54 HG13 ILE 54 -14.203 -0.926 1.534 407 HG13 ILE 54 HG12 ILE 54 -13.470 -1.768 2.899 408 HG21 ILE 54 HG21 ILE 54 -13.223 -1.420 -0.592 409 HG22 ILE 54 HG22 ILE 54 -14.351 -2.751 -0.850 410 HG23 ILE 54 HG23 ILE 54 -12.615 -3.029 -0.983 411 HD11 ILE 54 HD11 ILE 54 -12.233 0.296 1.868 412 HD12 ILE 54 HD12 ILE 54 -11.751 -0.844 0.612 413 HD13 ILE 54 HD13 ILE 54 -11.301 -1.139 2.291 414 H ALA 55 H ALA 55 -15.849 -4.267 -0.681 415 HA ALA 55 HA ALA 55 -15.611 -7.102 -0.706 416 HB1 ALA 55 HB1 ALA 55 -17.279 -5.706 -2.010 417 HB2 ALA 55 HB2 ALA 55 -16.518 -7.004 -2.931 418 HB3 ALA 55 HB3 ALA 55 -15.976 -5.339 -3.141 419 H ALA 56 H ALA 56 -14.348 -8.437 -2.182 420 HA ALA 56 HA ALA 56 -11.583 -7.888 -2.152 421 HB1 ALA 56 HB1 ALA 56 -11.968 -10.132 -2.509 422 HB2 ALA 56 HB2 ALA 56 -11.680 -9.635 -4.176 423 HB3 ALA 56 HB3 ALA 56 -13.331 -9.832 -3.587 424 H ASP 57 H ASP 57 -13.992 -7.242 -4.679 425 HA ASP 57 HA ASP 57 -13.791 -5.998 -6.667 426 HB2 ASP 57 HB3 ASP 57 -11.698 -4.631 -4.962 427 HB3 ASP 57 HB2 ASP 57 -12.316 -3.992 -6.483 428 H ASP 58 H ASP 58 -12.562 -8.392 -6.945 429 HA ASP 58 HA ASP 58 -9.761 -8.310 -7.505 430 HB2 ASP 58 HB3 ASP 58 -11.090 -10.401 -7.194 431 HB3 ASP 58 HB2 ASP 58 -11.836 -10.110 -8.763 432 H VAL 59 H VAL 59 -8.952 -6.863 -8.926 433 HA VAL 59 HA VAL 59 -10.083 -6.844 -11.682 434 HB VAL 59 HB VAL 59 -10.892 -4.823 -10.474 435 HG11 VAL 59 HG11 VAL 59 -8.975 -4.669 -8.895 436 HG12 VAL 59 HG12 VAL 59 -9.274 -3.143 -9.726 437 HG13 VAL 59 HG13 VAL 59 -7.938 -4.176 -10.232 438 HG21 VAL 59 HG21 VAL 59 -8.787 -3.793 -12.330 439 HG22 VAL 59 HG22 VAL 59 -10.512 -3.427 -12.277 440 HG23 VAL 59 HG23 VAL 59 -9.954 -4.946 -12.977 441 H GLU 60 H GLU 60 -8.463 -6.562 -13.308 442 HA GLU 60 HA GLU 60 -5.763 -7.252 -12.409 443 HB2 GLU 60 HB3 GLU 60 -6.722 -8.246 -14.465 444 HB3 GLU 60 HB2 GLU 60 -6.775 -6.648 -15.200 445 HG2 GLU 60 HG3 GLU 60 -4.343 -6.443 -14.941 446 HG3 GLU 60 HG2 GLU 60 -4.287 -8.038 -14.206 447 H LEU 61 H LEU 61 -4.177 -5.822 -12.017 448 HA LEU 61 HA LEU 61 -4.504 -3.032 -13.025 449 HB2 LEU 61 HB3 LEU 61 -2.989 -3.954 -10.569 450 HB3 LEU 61 HB2 LEU 61 -3.313 -2.289 -11.044 451 HG LEU 61 HG LEU 61 -5.352 -4.365 -10.233 452 HD11 LEU 61 HD11 LEU 61 -4.462 -3.505 -8.252 453 HD12 LEU 61 HD12 LEU 61 -5.814 -2.413 -8.548 454 HD13 LEU 61 HD13 LEU 61 -4.172 -1.915 -8.958 455 HD21 LEU 61 HD21 LEU 61 -5.594 -1.682 -11.553 456 HD22 LEU 61 HD22 LEU 61 -6.835 -2.188 -10.407 457 HD23 LEU 61 HD23 LEU 61 -6.517 -3.157 -11.847 458 H SER 62 H SER 62 -2.736 -2.095 -14.067 459 HA SER 62 HA SER 62 -0.662 -3.947 -14.985 460 HB2 SER 62 HB3 SER 62 -1.854 -1.599 -15.994 461 HB3 SER 62 HB2 SER 62 -0.169 -1.186 -15.696 462 HG SER 62 HG SER 62 -1.296 -2.955 -17.500 463 HA PRO 63 HA PRO 63 2.445 -2.946 -12.012 464 HB2 PRO 63 HB2 PRO 63 4.689 -2.850 -13.640 465 HB3 PRO 63 HB3 PRO 63 3.958 -4.338 -13.013 466 HG2 PRO 63 HG3 PRO 63 3.710 -3.090 -15.694 467 HG3 PRO 63 HG2 PRO 63 3.774 -4.802 -15.241 468 HD2 PRO 63 HD3 PRO 63 1.448 -3.563 -15.922 469 HD3 PRO 63 HD2 PRO 63 1.511 -4.899 -14.750 470 H GLU 64 H GLU 64 2.061 -0.915 -14.817 471 HA GLU 64 HA GLU 64 3.903 1.153 -14.176 472 HB2 GLU 64 HB3 GLU 64 1.234 1.299 -15.577 473 HB3 GLU 64 HB2 GLU 64 2.417 2.598 -15.557 474 HG2 GLU 64 HG3 GLU 64 4.069 1.071 -16.591 475 HG3 GLU 64 HG2 GLU 64 2.832 -0.178 -16.674 476 H HIS 65 H HIS 65 0.705 0.407 -12.957 477 HA HIS 65 HA HIS 65 0.221 2.933 -11.662 478 HB2 HIS 65 HB3 HIS 65 -1.563 1.307 -12.199 479 HB3 HIS 65 HB2 HIS 65 -0.889 0.191 -11.012 480 HD1 HIS 65 HD1 HIS 65 -2.183 3.785 -11.117 481 HD2 HIS 65 HD2 HIS 65 -1.928 0.561 -8.482 482 HE1 HIS 65 HE1 HIS 65 -3.413 4.478 -9.010 483 HE2 HIS 65 HE2 HIS 65 -3.254 2.527 -7.399 484 H PHE 66 H PHE 66 2.045 0.088 -10.702 485 HA PHE 66 HA PHE 66 2.166 1.071 -7.903 486 HB2 PHE 66 HB3 PHE 66 3.304 -1.448 -9.142 487 HB3 PHE 66 HB2 PHE 66 3.245 -1.072 -7.419 488 HD1 PHE 66 HD2 PHE 66 1.228 -1.868 -10.407 489 HD2 PHE 66 HD1 PHE 66 1.175 -1.203 -6.165 490 HE1 PHE 66 HE2 PHE 66 -1.080 -2.757 -10.298 491 HE2 PHE 66 HE1 PHE 66 -1.138 -2.092 -6.055 492 HZ PHE 66 HZ PHE 66 -2.266 -2.871 -8.124 493 H ARG 67 H ARG 67 3.810 1.853 -10.611 494 HA ARG 67 HA ARG 67 6.551 1.496 -9.930 495 HB2 ARG 67 HB3 ARG 67 5.230 3.726 -11.499 496 HB3 ARG 67 HB2 ARG 67 6.965 3.429 -11.447 497 HG2 ARG 67 HG3 ARG 67 5.046 1.259 -12.239 498 HG3 ARG 67 HG2 ARG 67 5.633 2.423 -13.424 499 HD2 ARG 67 HD3 ARG 67 7.992 1.798 -12.659 500 HD3 ARG 67 HD2 ARG 67 7.250 0.453 -11.795 501 HE ARG 67 HE ARG 67 6.333 0.414 -14.495 502 HH11 ARG 67 HH22 ARG 67 9.145 -0.041 -12.553 503 HH12 ARG 67 HH21 ARG 67 9.869 -1.184 -13.634 504 HH21 ARG 67 HH11 ARG 67 7.262 -1.077 -15.917 505 HH22 ARG 67 HH12 ARG 67 8.803 -1.771 -15.538 506 H SER 68 H SER 68 4.178 3.751 -8.713 507 HA SER 68 HA SER 68 6.266 4.809 -6.873 508 HB2 SER 68 HB3 SER 68 5.555 7.100 -7.216 509 HB3 SER 68 HB2 SER 68 5.966 6.406 -8.782 510 HG SER 68 HG SER 68 3.955 6.600 -9.367 511 H ILE 69 H ILE 69 5.417 5.629 -4.870 512 HA ILE 69 HA ILE 69 3.139 4.219 -3.865 513 HB ILE 69 HB ILE 69 4.578 6.636 -2.736 514 HG12 ILE 69 HG13 ILE 69 4.974 3.708 -2.129 515 HG13 ILE 69 HG12 ILE 69 5.996 4.615 -3.232 516 HG21 ILE 69 HG21 ILE 69 3.578 4.851 -0.773 517 HG22 ILE 69 HG22 ILE 69 2.262 5.202 -1.892 518 HG23 ILE 69 HG23 ILE 69 3.093 6.519 -1.066 519 HD11 ILE 69 HD11 ILE 69 7.152 5.521 -1.524 520 HD12 ILE 69 HD12 ILE 69 6.289 4.424 -0.445 521 HD13 ILE 69 HD13 ILE 69 5.664 6.047 -0.737 522 H ARG 70 H ARG 70 3.600 7.535 -5.032 523 HA ARG 70 HA ARG 70 1.119 8.610 -4.162 524 HB2 ARG 70 HB3 ARG 70 3.008 9.949 -5.092 525 HB3 ARG 70 HB2 ARG 70 2.630 9.312 -6.694 526 HG2 ARG 70 HG3 ARG 70 0.376 10.279 -6.570 527 HG3 ARG 70 HG2 ARG 70 0.713 10.884 -4.948 528 HD2 ARG 70 HD3 ARG 70 1.062 12.713 -6.480 529 HD3 ARG 70 HD2 ARG 70 2.650 12.179 -5.930 530 HE ARG 70 HE ARG 70 2.096 10.734 -8.285 531 HH11 ARG 70 HH22 ARG 70 2.474 13.991 -7.220 532 HH12 ARG 70 HH21 ARG 70 3.091 14.556 -8.737 533 HH21 ARG 70 HH11 ARG 70 2.899 11.453 -10.272 534 HH22 ARG 70 HH12 ARG 70 3.331 13.119 -10.465 535 H SER 71 H SER 71 1.932 6.820 -7.136 536 HA SER 71 HA SER 71 -0.540 7.198 -8.472 537 HB2 SER 71 HB3 SER 71 1.216 4.729 -8.519 538 HB3 SER 71 HB2 SER 71 0.045 5.202 -9.743 539 HG SER 71 HG SER 71 1.806 7.190 -9.140 540 H ILE 72 H ILE 72 0.446 4.672 -6.146 541 HA ILE 72 HA ILE 72 -2.006 3.216 -6.224 542 HB ILE 72 HB ILE 72 -0.007 3.514 -3.964 543 HG12 ILE 72 HG13 ILE 72 -0.226 1.408 -6.139 544 HG13 ILE 72 HG12 ILE 72 0.953 2.720 -6.134 545 HG21 ILE 72 HG21 ILE 72 -2.528 2.156 -4.169 546 HG22 ILE 72 HG22 ILE 72 -1.412 2.204 -2.805 547 HG23 ILE 72 HG23 ILE 72 -1.236 0.963 -4.045 548 HD11 ILE 72 HD11 ILE 72 1.455 1.776 -3.693 549 HD12 ILE 72 HD12 ILE 72 2.216 1.072 -5.120 550 HD13 ILE 72 HD13 ILE 72 0.809 0.293 -4.395 551 H ASP 73 H ASP 73 -0.909 5.952 -4.257 552 HA ASP 73 HA ASP 73 -3.043 6.035 -2.403 553 HB2 ASP 73 HB3 ASP 73 -0.934 7.453 -2.395 554 HB3 ASP 73 HB2 ASP 73 -1.705 8.464 -3.617 555 H ALA 74 H ALA 74 -2.833 7.325 -5.706 556 HA ALA 74 HA ALA 74 -5.318 8.750 -5.623 557 HB1 ALA 74 HB1 ALA 74 -3.475 8.982 -7.365 558 HB2 ALA 74 HB2 ALA 74 -5.119 8.926 -8.001 559 HB3 ALA 74 HB3 ALA 74 -4.091 7.495 -8.085 560 H PHE 75 H PHE 75 -4.529 5.433 -6.682 561 HA PHE 75 HA PHE 75 -7.165 4.781 -7.572 562 HB2 PHE 75 HB3 PHE 75 -5.163 3.389 -8.041 563 HB3 PHE 75 HB2 PHE 75 -5.122 2.921 -6.345 564 HD1 PHE 75 HD2 PHE 75 -7.069 2.714 -9.488 565 HD2 PHE 75 HD1 PHE 75 -6.692 1.334 -5.437 566 HE1 PHE 75 HE2 PHE 75 -8.735 0.933 -9.939 567 HE2 PHE 75 HE1 PHE 75 -8.358 -0.447 -5.889 568 HZ PHE 75 HZ PHE 75 -9.379 -0.648 -8.140 569 H VAL 76 H VAL 76 -5.591 4.211 -4.416 570 HA VAL 76 HA VAL 76 -7.932 3.111 -3.183 571 HB VAL 76 HB VAL 76 -5.471 4.451 -2.033 572 HG11 VAL 76 HG11 VAL 76 -6.310 3.147 0.061 573 HG12 VAL 76 HG12 VAL 76 -7.882 3.208 -0.734 574 HG13 VAL 76 HG13 VAL 76 -7.046 4.703 -0.316 575 HG21 VAL 76 HG21 VAL 76 -6.063 1.578 -1.622 576 HG22 VAL 76 HG22 VAL 76 -4.535 2.366 -2.017 577 HG23 VAL 76 HG23 VAL 76 -5.713 2.038 -3.289 578 H VAL 77 H VAL 77 -6.580 6.425 -3.224 579 HA VAL 77 HA VAL 77 -8.563 7.570 -1.526 580 HB VAL 77 HB VAL 77 -6.821 8.737 -3.704 581 HG11 VAL 77 HG11 VAL 77 -8.949 9.960 -1.997 582 HG12 VAL 77 HG12 VAL 77 -8.499 10.329 -3.661 583 HG13 VAL 77 HG13 VAL 77 -7.495 10.900 -2.328 584 HG21 VAL 77 HG21 VAL 77 -5.947 7.801 -1.425 585 HG22 VAL 77 HG22 VAL 77 -6.680 9.251 -0.739 586 HG23 VAL 77 HG23 VAL 77 -5.403 9.395 -1.947 587 H GLY 78 H GLY 78 -8.440 7.082 -5.035 588 HA2 GLY 78 HA3 GLY 78 -10.740 8.572 -5.738 589 HA3 GLY 78 HA2 GLY 78 -10.152 7.170 -6.632 590 H ALA 79 H ALA 79 -10.449 5.333 -4.340 591 HA ALA 79 HA ALA 79 -13.411 5.056 -4.488 592 HB1 ALA 79 HB1 ALA 79 -11.221 3.043 -3.947 593 HB2 ALA 79 HB2 ALA 79 -12.259 3.135 -5.370 594 HB3 ALA 79 HB3 ALA 79 -12.939 2.672 -3.810 595 H THR 80 H THR 80 -10.744 4.600 -2.152 596 HA THR 80 HA THR 80 -12.448 5.711 -0.030 597 HB THR 80 HB THR 80 -11.348 2.908 0.227 598 HG1 THR 80 HG1 THR 80 -13.925 3.907 -0.348 599 HG21 THR 80 HG21 THR 80 -11.956 4.744 2.186 600 HG22 THR 80 HG22 THR 80 -11.968 2.994 2.403 601 HG23 THR 80 HG23 THR 80 -13.466 3.847 2.029 602 H THR 81 H THR 81 -11.200 6.702 1.531 603 HA THR 81 HA THR 81 -8.251 6.237 1.390 604 HB THR 81 HB THR 81 -8.663 8.439 0.574 605 HG1 THR 81 HG1 THR 81 -7.809 8.190 3.209 606 HG21 THR 81 HG21 THR 81 -10.758 9.188 1.020 607 HG22 THR 81 HG22 THR 81 -10.017 9.899 2.454 608 HG23 THR 81 HG23 THR 81 -10.835 8.340 2.564 609 HA PRO 82 HA PRO 82 -9.521 5.290 5.696 610 HB2 PRO 82 HB2 PRO 82 -8.403 2.866 5.894 611 HB3 PRO 82 HB3 PRO 82 -9.916 3.111 4.999 612 HG2 PRO 82 HG3 PRO 82 -7.162 2.683 3.982 613 HG3 PRO 82 HG2 PRO 82 -8.715 2.176 3.296 614 HD2 PRO 82 HD3 PRO 82 -7.198 4.446 2.523 615 HD3 PRO 82 HD2 PRO 82 -8.868 4.075 2.040 616 HA PRO 83 HA PRO 83 -5.271 6.492 6.930 617 HB2 PRO 83 HB2 PRO 83 -5.947 7.848 9.184 618 HB3 PRO 83 HB3 PRO 83 -6.103 8.555 7.565 619 HG2 PRO 83 HG3 PRO 83 -8.190 7.462 9.359 620 HG3 PRO 83 HG2 PRO 83 -8.276 8.799 8.202 621 HD2 PRO 83 HD3 PRO 83 -9.246 6.211 7.756 622 HD3 PRO 83 HD2 PRO 83 -8.923 7.419 6.494 623 H VAL 84 H VAL 84 -3.932 5.163 8.117 624 HA VAL 84 HA VAL 84 -5.100 3.765 10.491 625 HB VAL 84 HB VAL 84 -3.153 2.549 8.513 626 HG11 VAL 84 HG11 VAL 84 -3.541 0.503 9.727 627 HG12 VAL 84 HG12 VAL 84 -4.815 1.253 10.688 628 HG13 VAL 84 HG13 VAL 84 -3.137 1.745 10.912 629 HG21 VAL 84 HG21 VAL 84 -5.228 2.760 7.347 630 HG22 VAL 84 HG22 VAL 84 -6.160 2.339 8.784 631 HG23 VAL 84 HG23 VAL 84 -5.201 1.108 7.963 632 H GLU 85 H GLU 85 -3.850 3.885 12.305 633 HA GLU 85 HA GLU 85 -1.566 5.610 12.390 634 HB2 GLU 85 HB3 GLU 85 -3.059 5.118 14.338 635 HB3 GLU 85 HB2 GLU 85 -2.366 3.497 14.411 636 HG2 GLU 85 HG3 GLU 85 -0.106 4.514 14.692 637 HG3 GLU 85 HG2 GLU 85 -0.859 6.109 14.729 638 H ALA 86 H ALA 86 -1.885 2.084 12.168 639 HA ALA 86 HA ALA 86 0.962 1.955 11.359 640 HB1 ALA 86 HB1 ALA 86 0.460 -0.277 13.087 641 HB2 ALA 86 HB2 ALA 86 0.072 1.206 13.960 642 HB3 ALA 86 HB3 ALA 86 1.676 0.989 13.260 643 H LYS 87 H LYS 87 1.465 -0.089 10.260 644 HA LYS 87 HA LYS 87 -0.550 -0.953 8.465 645 HB2 LYS 87 HB3 LYS 87 1.951 -1.259 8.195 646 HB3 LYS 87 HB2 LYS 87 1.842 -2.598 9.339 647 HG2 LYS 87 HG3 LYS 87 0.156 -3.682 7.850 648 HG3 LYS 87 HG2 LYS 87 0.397 -2.383 6.682 649 HD2 LYS 87 HD3 LYS 87 2.900 -2.998 6.793 650 HD3 LYS 87 HD2 LYS 87 2.368 -4.488 7.570 651 HE2 LYS 87 HE3 LYS 87 1.990 -3.582 4.753 652 HE3 LYS 87 HE2 LYS 87 2.284 -5.203 5.383 653 HZ1 LYS 87 HZ1 LYS 87 0.040 -5.340 6.138 654 HZ2 LYS 87 HZ2 LYS 87 0.011 -4.867 4.510 655 HZ3 LYS 87 HZ3 LYS 87 -0.262 -3.719 5.731 656 H LEU 88 H LEU 88 0.485 -2.289 11.584 657 HA LEU 88 HA LEU 88 -1.621 -4.381 11.354 658 HB2 LEU 88 HB3 LEU 88 0.693 -5.059 12.040 659 HB3 LEU 88 HB2 LEU 88 0.523 -4.045 13.473 660 HG LEU 88 HG LEU 88 -1.541 -5.363 14.072 661 HD11 LEU 88 HD11 LEU 88 -0.914 -6.552 11.473 662 HD12 LEU 88 HD12 LEU 88 -2.404 -6.633 12.413 663 HD13 LEU 88 HD13 LEU 88 -1.092 -7.765 12.740 664 HD21 LEU 88 HD21 LEU 88 0.251 -7.569 14.112 665 HD22 LEU 88 HD22 LEU 88 -0.063 -6.414 15.407 666 HD23 LEU 88 HD23 LEU 88 1.231 -6.110 14.248 667 H GLN 89 H GLN 89 -3.485 -4.204 12.524 668 HA GLN 89 HA GLN 89 -4.431 -1.888 13.689 669 HB2 GLN 89 HB3 GLN 89 -4.990 -4.728 14.599 670 HB3 GLN 89 HB2 GLN 89 -5.964 -3.324 15.036 671 HG2 GLN 89 HG3 GLN 89 -6.455 -2.901 12.668 672 HG3 GLN 89 HG2 GLN 89 -5.443 -4.269 12.201 673 HE21 GLN 89 HE22 GLN 89 -8.209 -4.225 11.510 674 HE22 GLN 89 HE21 GLN 89 -9.011 -5.428 12.399 675 H1 PN7 101 3HO SAT 38 1.731 -5.302 -8.584 676 H2 PN7 101 1H1 SAT 38 -0.052 -7.863 -8.580 677 H3 PN7 101 2H1 SAT 38 -1.121 -8.386 -9.883 678 H5 PN7 101 3HE1 SAT 38 -0.512 -5.436 -9.110 679 H6 PN7 101 1HE1 SAT 38 -1.640 -5.996 -10.344 680 H7 PN7 101 2HE1 SAT 38 -0.351 -4.871 -10.773 681 H8 PN7 101 2HE2 SAT 38 1.154 -7.666 -12.275 682 H9 PN7 101 3HE2 SAT 38 0.035 -6.323 -12.512 683 H10 PN7 101 1HE2 SAT 38 -0.583 -7.926 -12.114 684 H11 PN7 101 3H SAT 38 2.403 -7.335 -10.363 685 H12 PN7 101 5H SAT 38 2.486 -3.743 -9.649 686 H13 PN7 101 2H6 SAT 38 4.705 -3.494 -10.877 687 H14 PN7 101 1H6 SAT 38 4.667 -5.249 -11.039 688 H15 PN7 101 1H7 SAT 38 6.121 -4.644 -9.171 689 H16 PN7 101 2H7 SAT 38 4.674 -5.439 -8.550 690 H17 PN7 101 9H SAT 38 2.803 -3.186 -7.795 691 H18 PN7 101 2H10 SAT 38 4.524 -4.516 -5.858 692 H19 PN7 101 1H10 SAT 38 2.877 -3.961 -5.565 693 H20 PN7 101 1H11 SAT 38 4.834 -1.788 -5.946 694 H21 PN7 101 2H11 SAT 38 5.134 -2.785 -4.523 695 H22 PN7 101 2HS1 SAT 38 2.953 -2.032 -3.497 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -2.174 14.682 1.543 2 H2 MET 1 H2 MET 1 -2.014 13.772 0.118 3 H3 MET 1 H3 MET 1 -1.784 13.034 1.631 4 HA MET 1 HA MET 1 -4.356 14.209 0.725 5 HB2 MET 1 HB3 MET 1 -3.489 11.304 0.869 6 HB3 MET 1 HB2 MET 1 -5.082 11.890 0.392 7 HG2 MET 1 HG3 MET 1 -3.986 13.151 -1.483 8 HG3 MET 1 HG2 MET 1 -2.463 12.373 -1.050 9 HE1 MET 1 HE1 MET 1 -2.346 11.923 -3.330 10 HE2 MET 1 HE2 MET 1 -3.884 11.812 -4.183 11 HE3 MET 1 HE3 MET 1 -2.834 10.394 -4.055 12 H GLN 2 H GLN 2 -5.425 11.731 2.150 13 HA GLN 2 HA GLN 2 -5.327 12.917 4.875 14 HB2 GLN 2 HB3 GLN 2 -7.136 10.738 3.780 15 HB3 GLN 2 HB2 GLN 2 -7.315 11.570 5.325 16 HG2 GLN 2 HG3 GLN 2 -7.473 12.863 2.586 17 HG3 GLN 2 HG2 GLN 2 -8.838 12.538 3.655 18 HE21 GLN 2 HE22 GLN 2 -7.141 15.101 2.666 19 HE22 GLN 2 HE21 GLN 2 -7.066 16.018 4.092 20 H HIS 3 H HIS 3 -4.150 11.907 6.455 21 HA HIS 3 HA HIS 3 -2.719 10.314 7.429 22 HB2 HIS 3 HB3 HIS 3 -4.663 8.380 6.129 23 HB3 HIS 3 HB2 HIS 3 -3.607 8.043 7.502 24 HD1 HIS 3 HD1 HIS 3 -6.894 9.455 6.623 25 HD2 HIS 3 HD2 HIS 3 -4.321 9.593 9.904 26 HE1 HIS 3 HE1 HIS 3 -8.257 10.342 8.568 27 HE2 HIS 3 HE2 HIS 3 -6.700 10.429 10.569 28 H ALA 4 H ALA 4 -2.093 11.259 4.733 29 HA ALA 4 HA ALA 4 -1.313 9.159 2.979 30 HB1 ALA 4 HB1 ALA 4 -1.099 11.152 1.878 31 HB2 ALA 4 HB2 ALA 4 0.561 11.048 2.466 32 HB3 ALA 4 HB3 ALA 4 -0.623 12.023 3.336 33 H SER 5 H SER 5 0.289 10.568 5.799 34 HA SER 5 HA SER 5 2.868 9.422 5.390 35 HB2 SER 5 HB3 SER 5 3.240 9.836 7.749 36 HB3 SER 5 HB2 SER 5 2.299 11.175 7.099 37 HG SER 5 HG SER 5 0.560 10.481 8.152 38 H VAL 6 H VAL 6 -0.102 8.086 6.759 39 HA VAL 6 HA VAL 6 1.078 5.723 7.877 40 HB VAL 6 HB VAL 6 -1.708 6.283 6.855 41 HG11 VAL 6 HG11 VAL 6 -0.552 3.839 8.219 42 HG12 VAL 6 HG12 VAL 6 -1.424 3.904 6.687 43 HG13 VAL 6 HG13 VAL 6 -2.279 4.194 8.202 44 HG21 VAL 6 HG21 VAL 6 -1.255 7.560 8.816 45 HG22 VAL 6 HG22 VAL 6 -0.379 6.227 9.570 46 HG23 VAL 6 HG23 VAL 6 -2.131 6.139 9.386 47 H ILE 7 H ILE 7 -0.216 6.467 4.664 48 HA ILE 7 HA ILE 7 -0.087 3.846 3.585 49 HB ILE 7 HB ILE 7 0.387 6.488 2.175 50 HG12 ILE 7 HG13 ILE 7 -2.167 4.882 2.491 51 HG13 ILE 7 HG12 ILE 7 -1.758 6.275 3.492 52 HG21 ILE 7 HG21 ILE 7 -0.328 5.274 0.166 53 HG22 ILE 7 HG22 ILE 7 -0.531 3.798 1.110 54 HG23 ILE 7 HG23 ILE 7 1.077 4.480 0.875 55 HD11 ILE 7 HD11 ILE 7 -2.333 6.194 0.535 56 HD12 ILE 7 HD12 ILE 7 -1.433 7.531 1.251 57 HD13 ILE 7 HD13 ILE 7 -3.084 7.198 1.775 58 H ALA 8 H ALA 8 2.372 6.445 3.507 59 HA ALA 8 HA ALA 8 4.382 4.861 2.210 60 HB1 ALA 8 HB1 ALA 8 4.216 7.465 3.513 61 HB2 ALA 8 HB2 ALA 8 5.263 6.944 2.194 62 HB3 ALA 8 HB3 ALA 8 5.742 6.656 3.866 63 H GLN 9 H GLN 9 3.652 5.486 5.617 64 HA GLN 9 HA GLN 9 5.797 3.926 6.712 65 HB2 GLN 9 HB3 GLN 9 4.491 5.560 8.043 66 HB3 GLN 9 HB2 GLN 9 3.061 4.541 7.880 67 HG2 GLN 9 HG3 GLN 9 5.109 2.841 8.822 68 HG3 GLN 9 HG2 GLN 9 5.236 4.320 9.771 69 HE21 GLN 9 HE22 GLN 9 2.892 1.802 8.764 70 HE22 GLN 9 HE21 GLN 9 1.849 2.025 10.085 71 H PHE 10 H PHE 10 2.494 3.169 5.742 72 HA PHE 10 HA PHE 10 2.311 0.538 6.772 73 HB2 PHE 10 HB3 PHE 10 0.463 1.923 5.728 74 HB3 PHE 10 HB2 PHE 10 1.145 1.521 4.154 75 HD1 PHE 10 HD2 PHE 10 1.056 -0.776 3.291 76 HD2 PHE 10 HD1 PHE 10 -0.651 0.260 7.094 77 HE1 PHE 10 HE2 PHE 10 -0.192 -2.917 3.315 78 HE2 PHE 10 HE1 PHE 10 -1.902 -1.880 7.116 79 HZ PHE 10 HZ PHE 10 -1.674 -3.465 5.228 80 H VAL 11 H VAL 11 3.473 1.674 3.605 81 HA VAL 11 HA VAL 11 4.167 -0.985 2.687 82 HB VAL 11 HB VAL 11 5.115 1.716 1.702 83 HG11 VAL 11 HG11 VAL 11 5.531 0.491 -0.405 84 HG12 VAL 11 HG12 VAL 11 5.047 -1.012 0.380 85 HG13 VAL 11 HG13 VAL 11 6.496 -0.163 0.918 86 HG21 VAL 11 HG21 VAL 11 3.286 1.227 -0.044 87 HG22 VAL 11 HG22 VAL 11 2.744 1.720 1.561 88 HG23 VAL 11 HG23 VAL 11 2.690 0.019 1.096 89 H VAL 12 H VAL 12 6.139 1.774 3.839 90 HA VAL 12 HA VAL 12 8.643 0.412 3.666 91 HB VAL 12 HB VAL 12 7.744 2.718 5.388 92 HG11 VAL 12 HG11 VAL 12 9.637 2.266 6.568 93 HG12 VAL 12 HG12 VAL 12 10.467 2.932 5.162 94 HG13 VAL 12 HG13 VAL 12 10.263 1.188 5.321 95 HG21 VAL 12 HG21 VAL 12 8.064 2.616 2.690 96 HG22 VAL 12 HG22 VAL 12 9.705 3.027 3.188 97 HG23 VAL 12 HG23 VAL 12 8.357 4.068 3.647 98 H GLU 13 H GLU 13 6.285 0.665 6.286 99 HA GLU 13 HA GLU 13 7.822 -0.501 8.357 100 HB2 GLU 13 HB3 GLU 13 5.609 0.546 8.703 101 HB3 GLU 13 HB2 GLU 13 4.857 -0.795 7.849 102 HG2 GLU 13 HG3 GLU 13 5.801 -2.357 9.552 103 HG3 GLU 13 HG2 GLU 13 6.423 -0.961 10.427 104 H GLU 14 H GLU 14 6.115 -1.948 5.663 105 HA GLU 14 HA GLU 14 6.161 -4.651 6.602 106 HB2 GLU 14 HB3 GLU 14 4.759 -3.810 4.713 107 HB3 GLU 14 HB2 GLU 14 6.219 -3.679 3.737 108 HG2 GLU 14 HG3 GLU 14 6.645 -6.105 4.099 109 HG3 GLU 14 HG2 GLU 14 5.119 -6.215 4.977 110 H PHE 15 H PHE 15 8.611 -2.671 5.006 111 HA PHE 15 HA PHE 15 10.379 -5.091 4.942 112 HB2 PHE 15 HB3 PHE 15 10.741 -2.629 3.238 113 HB3 PHE 15 HB2 PHE 15 11.447 -4.229 3.012 114 HD1 PHE 15 HD2 PHE 15 10.035 -6.136 2.271 115 HD2 PHE 15 HD1 PHE 15 8.490 -2.141 2.564 116 HE1 PHE 15 HE2 PHE 15 8.069 -6.796 0.909 117 HE2 PHE 15 HE1 PHE 15 6.523 -2.797 1.208 118 HZ PHE 15 HZ PHE 15 6.313 -5.127 0.380 119 H LEU 16 H LEU 16 10.579 -1.506 5.310 120 HA LEU 16 HA LEU 16 12.906 -2.009 7.137 121 HB2 LEU 16 HB3 LEU 16 12.649 -0.295 4.767 122 HB3 LEU 16 HB2 LEU 16 13.324 0.527 6.173 123 HG LEU 16 HG LEU 16 14.317 -2.150 5.164 124 HD11 LEU 16 HD11 LEU 16 14.735 -0.426 3.471 125 HD12 LEU 16 HD12 LEU 16 16.245 -0.854 4.275 126 HD13 LEU 16 HD13 LEU 16 15.412 0.641 4.701 127 HD21 LEU 16 HD21 LEU 16 14.722 -0.649 7.562 128 HD22 LEU 16 HD22 LEU 16 16.224 -0.606 6.638 129 HD23 LEU 16 HD23 LEU 16 15.504 -2.154 7.078 130 HA PRO 17 HA PRO 17 9.961 0.590 9.517 131 HB2 PRO 17 HB2 PRO 17 9.883 -1.184 11.679 132 HB3 PRO 17 HB3 PRO 17 8.688 -1.085 10.380 133 HG2 PRO 17 HG3 PRO 17 10.497 -3.199 10.924 134 HG3 PRO 17 HG2 PRO 17 9.343 -3.064 9.594 135 HD2 PRO 17 HD3 PRO 17 12.261 -2.595 9.577 136 HD3 PRO 17 HD2 PRO 17 11.168 -2.967 8.225 137 H ASP 18 H ASP 18 13.088 -0.740 10.098 138 HA ASP 18 HA ASP 18 13.515 0.466 12.706 139 HB2 ASP 18 HB3 ASP 18 15.416 -0.642 10.637 140 HB3 ASP 18 HB2 ASP 18 15.918 -0.082 12.227 141 H VAL 19 H VAL 19 13.200 1.766 9.660 142 HA VAL 19 HA VAL 19 14.937 4.104 10.356 143 HB VAL 19 HB VAL 19 15.519 2.882 8.220 144 HG11 VAL 19 HG11 VAL 19 13.076 4.089 6.985 145 HG12 VAL 19 HG12 VAL 19 12.906 2.558 7.842 146 HG13 VAL 19 HG13 VAL 19 14.012 2.684 6.475 147 HG21 VAL 19 HG21 VAL 19 15.885 5.376 8.659 148 HG22 VAL 19 HG22 VAL 19 14.432 5.660 7.699 149 HG23 VAL 19 HG23 VAL 19 15.841 4.894 6.963 150 H ALA 20 H ALA 20 13.927 6.183 10.234 151 HA ALA 20 HA ALA 20 11.147 6.246 10.822 152 HB1 ALA 20 HB1 ALA 20 13.277 8.208 10.332 153 HB2 ALA 20 HB2 ALA 20 11.968 8.244 11.513 154 HB3 ALA 20 HB3 ALA 20 11.676 8.773 9.856 155 HA PRO 21 HA PRO 21 9.916 5.586 6.507 156 HB2 PRO 21 HB2 PRO 21 7.161 5.867 7.094 157 HB3 PRO 21 HB3 PRO 21 8.070 4.359 6.927 158 HG2 PRO 21 HG3 PRO 21 7.043 5.610 9.308 159 HG3 PRO 21 HG2 PRO 21 7.739 3.998 9.099 160 HD2 PRO 21 HD3 PRO 21 8.936 6.242 10.372 161 HD3 PRO 21 HD2 PRO 21 9.688 4.671 10.034 162 H ALA 22 H ALA 22 8.698 8.185 8.559 163 HA ALA 22 HA ALA 22 7.716 9.809 6.364 164 HB1 ALA 22 HB1 ALA 22 8.215 10.202 9.286 165 HB2 ALA 22 HB2 ALA 22 6.752 10.504 8.349 166 HB3 ALA 22 HB3 ALA 22 8.098 11.640 8.272 167 H ASP 23 H ASP 23 10.804 9.080 7.625 168 HA ASP 23 HA ASP 23 12.053 11.547 6.584 169 HB2 ASP 23 HB3 ASP 23 13.210 9.104 7.961 170 HB3 ASP 23 HB2 ASP 23 14.165 10.491 7.436 171 H VAL 24 H VAL 24 10.897 8.826 5.237 172 HA VAL 24 HA VAL 24 13.169 8.458 3.348 173 HB VAL 24 HB VAL 24 10.601 6.861 3.624 174 HG11 VAL 24 HG11 VAL 24 12.761 5.413 2.456 175 HG12 VAL 24 HG12 VAL 24 12.641 6.958 1.613 176 HG13 VAL 24 HG13 VAL 24 11.241 5.889 1.699 177 HG21 VAL 24 HG21 VAL 24 13.325 5.887 4.436 178 HG22 VAL 24 HG22 VAL 24 11.740 5.357 5.000 179 HG23 VAL 24 HG23 VAL 24 12.403 6.895 5.550 180 H ASP 25 H ASP 25 12.945 9.072 1.196 181 HA ASP 25 HA ASP 25 10.946 11.025 0.559 182 HB2 ASP 25 HB3 ASP 25 13.199 10.877 -0.531 183 HB3 ASP 25 HB2 ASP 25 12.653 9.426 -1.372 184 H VAL 26 H VAL 26 8.869 10.148 0.826 185 HA VAL 26 HA VAL 26 8.014 7.612 -0.165 186 HB VAL 26 HB VAL 26 5.753 8.447 0.132 187 HG11 VAL 26 HG11 VAL 26 5.876 9.137 2.427 188 HG12 VAL 26 HG12 VAL 26 7.487 9.818 2.201 189 HG13 VAL 26 HG13 VAL 26 7.253 8.071 2.153 190 HG21 VAL 26 HG21 VAL 26 7.133 11.074 -0.236 191 HG22 VAL 26 HG22 VAL 26 5.731 11.027 0.833 192 HG23 VAL 26 HG23 VAL 26 5.572 10.532 -0.852 193 H ASP 27 H ASP 27 9.290 10.010 -1.954 194 HA ASP 27 HA ASP 27 7.384 9.876 -4.208 195 HB2 ASP 27 HB3 ASP 27 8.564 12.014 -3.634 196 HB3 ASP 27 HB2 ASP 27 10.091 11.237 -4.055 197 H LEU 28 H LEU 28 9.413 7.725 -3.026 198 HA LEU 28 HA LEU 28 10.943 7.070 -5.456 199 HB2 LEU 28 HB3 LEU 28 11.868 6.711 -3.149 200 HB3 LEU 28 HB2 LEU 28 10.633 5.482 -2.892 201 HG LEU 28 HG LEU 28 11.558 4.436 -5.101 202 HD11 LEU 28 HD11 LEU 28 13.495 5.233 -5.961 203 HD12 LEU 28 HD12 LEU 28 14.212 5.451 -4.365 204 HD13 LEU 28 HD13 LEU 28 13.152 6.692 -5.032 205 HD21 LEU 28 HD21 LEU 28 13.098 4.420 -2.488 206 HD22 LEU 28 HD22 LEU 28 13.312 3.234 -3.776 207 HD23 LEU 28 HD23 LEU 28 11.768 3.350 -2.932 208 H ASP 29 H ASP 29 10.265 5.631 -6.982 209 HA ASP 29 HA ASP 29 7.576 4.593 -6.876 210 HB2 ASP 29 HB3 ASP 29 9.908 3.943 -8.706 211 HB3 ASP 29 HB2 ASP 29 8.265 3.350 -8.950 212 H LEU 30 H LEU 30 6.948 2.820 -5.747 213 HA LEU 30 HA LEU 30 8.873 1.114 -4.439 214 HB2 LEU 30 HB3 LEU 30 6.857 -0.239 -3.806 215 HB3 LEU 30 HB2 LEU 30 6.683 1.476 -3.426 216 HG LEU 30 HG LEU 30 5.809 0.850 -6.140 217 HD11 LEU 30 HD11 LEU 30 4.602 -0.607 -3.789 218 HD12 LEU 30 HD12 LEU 30 5.056 -1.255 -5.366 219 HD13 LEU 30 HD13 LEU 30 3.641 -0.214 -5.214 220 HD21 LEU 30 HD21 LEU 30 3.874 2.170 -5.425 221 HD22 LEU 30 HD22 LEU 30 5.360 2.954 -4.890 222 HD23 LEU 30 HD23 LEU 30 4.384 2.038 -3.742 223 H VAL 31 H VAL 31 8.293 1.296 -7.604 224 HA VAL 31 HA VAL 31 7.597 -1.255 -8.537 225 HB VAL 31 HB VAL 31 8.176 0.849 -9.900 226 HG11 VAL 31 HG11 VAL 31 10.451 1.168 -10.561 227 HG12 VAL 31 HG12 VAL 31 10.951 -0.354 -9.823 228 HG13 VAL 31 HG13 VAL 31 10.477 1.006 -8.805 229 HG21 VAL 31 HG21 VAL 31 9.400 -0.810 -11.662 230 HG22 VAL 31 HG22 VAL 31 7.667 -0.863 -11.336 231 HG23 VAL 31 HG23 VAL 31 8.751 -1.997 -10.530 232 H ASP 32 H ASP 32 10.732 -0.100 -7.344 233 HA ASP 32 HA ASP 32 12.236 -2.458 -7.897 234 HB2 ASP 32 HB3 ASP 32 13.162 -0.250 -7.045 235 HB3 ASP 32 HB2 ASP 32 12.551 -0.692 -5.450 236 H ASN 33 H ASN 33 10.099 -1.553 -5.253 237 HA ASN 33 HA ASN 33 10.475 -4.142 -3.898 238 HB2 ASN 33 HB3 ASN 33 8.600 -1.856 -3.264 239 HB3 ASN 33 HB2 ASN 33 8.932 -3.238 -2.224 240 HD21 ASN 33 HD22 ASN 33 9.622 -0.118 -2.271 241 HD22 ASN 33 HD21 ASN 33 11.235 -0.113 -1.744 242 H GLY 34 H GLY 34 9.135 -3.518 -6.635 243 HA2 GLY 34 HA3 GLY 34 6.416 -3.932 -6.707 244 HA3 GLY 34 HA2 GLY 34 7.505 -4.697 -7.865 245 H VAL 35 H VAL 35 8.716 -6.024 -5.272 246 HA VAL 35 HA VAL 35 7.592 -8.577 -5.605 247 HB VAL 35 HB VAL 35 9.653 -7.854 -4.209 248 HG11 VAL 35 HG11 VAL 35 9.311 -7.329 -1.935 249 HG12 VAL 35 HG12 VAL 35 7.638 -7.886 -1.971 250 HG13 VAL 35 HG13 VAL 35 8.082 -6.382 -2.772 251 HG21 VAL 35 HG21 VAL 35 9.091 -9.825 -2.540 252 HG22 VAL 35 HG22 VAL 35 9.291 -10.159 -4.260 253 HG23 VAL 35 HG23 VAL 35 7.673 -10.022 -3.571 254 H ILE 36 H ILE 36 6.501 -5.880 -3.638 255 HA ILE 36 HA ILE 36 4.452 -7.334 -2.210 256 HB ILE 36 HB ILE 36 5.529 -4.981 -1.746 257 HG12 ILE 36 HG13 ILE 36 2.566 -5.543 -1.411 258 HG13 ILE 36 HG12 ILE 36 3.850 -6.033 -0.307 259 HG21 ILE 36 HG21 ILE 36 4.436 -3.121 -2.697 260 HG22 ILE 36 HG22 ILE 36 3.061 -4.091 -3.231 261 HG23 ILE 36 HG23 ILE 36 4.612 -4.226 -4.060 262 HD11 ILE 36 HD11 ILE 36 2.981 -3.207 -0.957 263 HD12 ILE 36 HD12 ILE 36 4.437 -3.592 -0.039 264 HD13 ILE 36 HD13 ILE 36 2.852 -4.030 0.598 265 H ASP 37 H ASP 37 4.654 -5.866 -5.346 266 HA ASP 37 HA ASP 37 1.983 -5.261 -5.908 267 HB2 ASP 37 HB3 ASP 37 4.081 -6.407 -7.761 268 HB3 ASP 37 HB2 ASP 37 2.555 -5.707 -8.294 269 H SER 38 H SER 38 3.507 -8.482 -5.971 270 HA SER 38 HA SER 38 0.809 -9.578 -6.661 271 HB2 SER 38 2HB SER 38 3.570 -10.675 -7.182 272 HB3 SER 38 1HB SER 38 2.102 -11.624 -7.392 273 H LEU 39 H LEU 39 3.727 -10.805 -4.981 274 HA LEU 39 HA LEU 39 2.270 -12.667 -3.411 275 HB2 LEU 39 HB3 LEU 39 4.742 -12.718 -3.786 276 HB3 LEU 39 HB2 LEU 39 4.888 -11.351 -2.687 277 HG LEU 39 HG LEU 39 3.318 -13.617 -1.632 278 HD11 LEU 39 HD11 LEU 39 6.232 -13.852 -2.373 279 HD12 LEU 39 HD12 LEU 39 4.934 -15.015 -2.641 280 HD13 LEU 39 HD13 LEU 39 5.562 -14.754 -1.014 281 HD21 LEU 39 HD21 LEU 39 4.718 -13.093 0.369 282 HD22 LEU 39 HD22 LEU 39 3.884 -11.672 -0.258 283 HD23 LEU 39 HD23 LEU 39 5.599 -11.906 -0.592 284 H GLY 40 H GLY 40 3.555 -9.478 -2.487 285 HA2 GLY 40 HA3 GLY 40 2.272 -9.515 0.097 286 HA3 GLY 40 HA2 GLY 40 2.984 -8.104 -0.677 287 H LEU 41 H LEU 41 1.432 -8.141 -3.061 288 HA LEU 41 HA LEU 41 -0.843 -6.654 -2.228 289 HB2 LEU 41 HB3 LEU 41 0.246 -6.567 -4.504 290 HB3 LEU 41 HB2 LEU 41 -0.529 -8.108 -4.861 291 HG LEU 41 HG LEU 41 -2.732 -6.948 -4.192 292 HD11 LEU 41 HD11 LEU 41 -2.009 -4.948 -3.154 293 HD12 LEU 41 HD12 LEU 41 -2.568 -4.430 -4.742 294 HD13 LEU 41 HD13 LEU 41 -0.843 -4.607 -4.432 295 HD21 LEU 41 HD21 LEU 41 -2.948 -5.946 -6.466 296 HD22 LEU 41 HD22 LEU 41 -2.197 -7.540 -6.504 297 HD23 LEU 41 HD23 LEU 41 -1.203 -6.093 -6.668 298 H LEU 42 H LEU 42 -0.548 -10.049 -3.239 299 HA LEU 42 HA LEU 42 -3.342 -10.639 -3.195 300 HB2 LEU 42 HB3 LEU 42 -0.825 -12.185 -3.186 301 HB3 LEU 42 HB2 LEU 42 -2.205 -13.006 -2.470 302 HG LEU 42 HG LEU 42 -1.915 -13.359 -4.961 303 HD11 LEU 42 HD11 LEU 42 -4.509 -12.252 -5.098 304 HD12 LEU 42 HD12 LEU 42 -4.275 -12.736 -3.418 305 HD13 LEU 42 HD13 LEU 42 -4.080 -13.919 -4.712 306 HD21 LEU 42 HD21 LEU 42 -2.013 -11.614 -6.423 307 HD22 LEU 42 HD22 LEU 42 -1.517 -10.669 -5.022 308 HD23 LEU 42 HD23 LEU 42 -3.219 -10.756 -5.466 309 H LYS 43 H LYS 43 -0.862 -10.932 -0.648 310 HA LYS 43 HA LYS 43 -2.652 -11.969 1.335 311 HB2 LYS 43 HB3 LYS 43 -0.071 -10.423 1.607 312 HB3 LYS 43 HB2 LYS 43 -0.893 -11.225 2.941 313 HG2 LYS 43 HG3 LYS 43 -0.741 -13.379 1.680 314 HG3 LYS 43 HG2 LYS 43 0.206 -12.547 0.447 315 HD2 LYS 43 HD3 LYS 43 1.865 -11.914 2.202 316 HD3 LYS 43 HD2 LYS 43 0.946 -12.865 3.370 317 HE2 LYS 43 HE3 LYS 43 1.215 -14.723 1.446 318 HE3 LYS 43 HE2 LYS 43 2.667 -13.778 1.117 319 HZ1 LYS 43 HZ1 LYS 43 2.381 -14.147 3.896 320 HZ2 LYS 43 HZ2 LYS 43 3.640 -14.659 2.882 321 HZ3 LYS 43 HZ3 LYS 43 2.285 -15.656 3.123 322 H VAL 44 H VAL 44 -1.612 -8.664 0.532 323 HA VAL 44 HA VAL 44 -3.069 -7.413 2.682 324 HB VAL 44 HB VAL 44 -2.073 -6.314 0.043 325 HG11 VAL 44 HG11 VAL 44 -2.307 -4.103 1.236 326 HG12 VAL 44 HG12 VAL 44 -3.209 -4.945 2.495 327 HG13 VAL 44 HG13 VAL 44 -3.843 -4.880 0.851 328 HG21 VAL 44 HG21 VAL 44 -0.819 -5.482 2.563 329 HG22 VAL 44 HG22 VAL 44 -0.069 -6.054 1.073 330 HG23 VAL 44 HG23 VAL 44 -0.674 -7.213 2.257 331 H ILE 45 H ILE 45 -3.852 -7.946 -0.758 332 HA ILE 45 HA ILE 45 -6.330 -6.569 -0.757 333 HB ILE 45 HB ILE 45 -5.014 -8.625 -2.432 334 HG12 ILE 45 HG13 ILE 45 -5.548 -7.079 -4.184 335 HG13 ILE 45 HG12 ILE 45 -6.764 -6.277 -3.193 336 HG21 ILE 45 HG21 ILE 45 -8.021 -8.314 -2.317 337 HG22 ILE 45 HG22 ILE 45 -7.081 -9.803 -2.210 338 HG23 ILE 45 HG23 ILE 45 -7.179 -8.930 -3.737 339 HD11 ILE 45 HD11 ILE 45 -4.239 -5.344 -3.480 340 HD12 ILE 45 HD12 ILE 45 -4.025 -6.363 -2.059 341 HD13 ILE 45 HD13 ILE 45 -5.211 -5.059 -2.039 342 H ALA 46 H ALA 46 -5.675 -10.035 -0.180 343 HA ALA 46 HA ALA 46 -8.394 -10.726 0.367 344 HB1 ALA 46 HB1 ALA 46 -7.202 -12.648 1.680 345 HB2 ALA 46 HB2 ALA 46 -5.727 -11.956 1.004 346 HB3 ALA 46 HB3 ALA 46 -6.995 -12.551 -0.069 347 H TRP 47 H TRP 47 -5.730 -9.814 2.567 348 HA TRP 47 HA TRP 47 -7.411 -10.076 4.924 349 HB2 TRP 47 HB3 TRP 47 -5.185 -10.423 5.439 350 HB3 TRP 47 HB2 TRP 47 -4.631 -9.142 4.361 351 HD1 TRP 47 HD1 TRP 47 -7.142 -9.045 7.317 352 HE1 TRP 47 HE1 TRP 47 -6.401 -7.151 8.902 353 HE3 TRP 47 HE3 TRP 47 -2.919 -7.526 4.937 354 HZ2 TRP 47 HZ2 TRP 47 -4.282 -5.231 9.124 355 HZ3 TRP 47 HZ3 TRP 47 -1.546 -5.666 5.839 356 HH2 TRP 47 HH2 TRP 47 -2.224 -4.518 7.929 357 H LEU 48 H LEU 48 -6.078 -7.299 3.136 358 HA LEU 48 HA LEU 48 -7.230 -5.280 4.774 359 HB2 LEU 48 HB3 LEU 48 -5.431 -4.982 3.031 360 HB3 LEU 48 HB2 LEU 48 -6.684 -5.102 1.805 361 HG LEU 48 HG LEU 48 -7.850 -3.236 3.241 362 HD11 LEU 48 HD11 LEU 48 -6.530 -2.049 4.689 363 HD12 LEU 48 HD12 LEU 48 -5.067 -2.342 3.748 364 HD13 LEU 48 HD13 LEU 48 -5.693 -3.597 4.815 365 HD21 LEU 48 HD21 LEU 48 -5.722 -3.128 1.167 366 HD22 LEU 48 HD22 LEU 48 -6.118 -1.602 1.959 367 HD23 LEU 48 HD23 LEU 48 -7.373 -2.509 1.114 368 H GLU 49 H GLU 49 -8.461 -6.757 1.752 369 HA GLU 49 HA GLU 49 -10.850 -5.171 1.689 370 HB2 GLU 49 HB3 GLU 49 -10.235 -7.861 0.447 371 HB3 GLU 49 HB2 GLU 49 -11.640 -6.885 0.074 372 HG2 GLU 49 HG3 GLU 49 -10.168 -5.032 -0.619 373 HG3 GLU 49 HG2 GLU 49 -8.767 -6.047 -0.300 374 H ASP 50 H ASP 50 -10.071 -8.283 3.183 375 HA ASP 50 HA ASP 50 -12.718 -9.100 3.798 376 HB2 ASP 50 HB3 ASP 50 -10.650 -10.491 4.103 377 HB3 ASP 50 HB2 ASP 50 -10.276 -9.520 5.524 378 H ARG 51 H ARG 51 -10.503 -6.933 5.524 379 HA ARG 51 HA ARG 51 -12.150 -6.575 7.833 380 HB2 ARG 51 HB3 ARG 51 -10.067 -4.796 6.554 381 HB3 ARG 51 HB2 ARG 51 -10.836 -4.440 8.095 382 HG2 ARG 51 HG3 ARG 51 -10.075 -6.713 8.901 383 HG3 ARG 51 HG2 ARG 51 -9.135 -6.847 7.414 384 HD2 ARG 51 HD3 ARG 51 -8.846 -4.695 9.529 385 HD3 ARG 51 HD2 ARG 51 -7.704 -5.996 9.201 386 HE ARG 51 HE ARG 51 -7.947 -4.675 6.770 387 HH11 ARG 51 HH22 ARG 51 -7.204 -3.846 10.033 388 HH12 ARG 51 HH21 ARG 51 -6.161 -2.533 9.603 389 HH21 ARG 51 HH11 ARG 51 -6.589 -2.962 6.190 390 HH22 ARG 51 HH12 ARG 51 -5.812 -2.032 7.427 391 H PHE 52 H PHE 52 -12.032 -4.849 4.717 392 HA PHE 52 HA PHE 52 -14.268 -3.137 5.651 393 HB2 PHE 52 HB3 PHE 52 -12.458 -2.997 3.229 394 HB3 PHE 52 HB2 PHE 52 -13.790 -1.883 3.527 395 HD1 PHE 52 HD2 PHE 52 -13.768 -0.413 5.551 396 HD2 PHE 52 HD1 PHE 52 -10.406 -2.854 4.461 397 HE1 PHE 52 HE2 PHE 52 -12.319 0.903 7.073 398 HE2 PHE 52 HE1 PHE 52 -8.957 -1.539 5.985 399 HZ PHE 52 HZ PHE 52 -9.914 0.337 7.292 400 H GLY 53 H GLY 53 -13.854 -6.047 4.067 401 HA2 GLY 53 HA3 GLY 53 -15.369 -7.382 2.871 402 HA3 GLY 53 HA2 GLY 53 -16.616 -6.220 3.323 403 H ILE 54 H ILE 54 -13.704 -5.377 1.507 404 HA ILE 54 HA ILE 54 -15.430 -4.312 -0.638 405 HB ILE 54 HB ILE 54 -12.414 -4.283 -0.318 406 HG12 ILE 54 HG13 ILE 54 -14.416 -2.045 0.087 407 HG13 ILE 54 HG12 ILE 54 -13.807 -3.041 1.407 408 HG21 ILE 54 HG21 ILE 54 -12.494 -3.721 -2.515 409 HG22 ILE 54 HG22 ILE 54 -13.142 -2.182 -1.948 410 HG23 ILE 54 HG23 ILE 54 -14.238 -3.459 -2.474 411 HD11 ILE 54 HD11 ILE 54 -11.502 -2.368 0.874 412 HD12 ILE 54 HD12 ILE 54 -12.502 -0.947 1.177 413 HD13 ILE 54 HD13 ILE 54 -12.090 -1.398 -0.477 414 H ALA 55 H ALA 55 -15.562 -5.155 -2.721 415 HA ALA 55 HA ALA 55 -14.842 -7.943 -3.066 416 HB1 ALA 55 HB1 ALA 55 -16.655 -6.212 -4.256 417 HB2 ALA 55 HB2 ALA 55 -16.295 -7.850 -4.801 418 HB3 ALA 55 HB3 ALA 55 -15.460 -6.475 -5.525 419 H ALA 56 H ALA 56 -13.006 -8.768 -3.990 420 HA ALA 56 HA ALA 56 -10.752 -7.061 -4.494 421 HB1 ALA 56 HB1 ALA 56 -9.607 -9.006 -4.470 422 HB2 ALA 56 HB2 ALA 56 -10.579 -9.674 -5.782 423 HB3 ALA 56 HB3 ALA 56 -11.146 -9.792 -4.115 424 H ASP 57 H ASP 57 -13.243 -8.426 -6.560 425 HA ASP 57 HA ASP 57 -11.830 -7.654 -9.018 426 HB2 ASP 57 HB3 ASP 57 -14.603 -8.748 -8.526 427 HB3 ASP 57 HB2 ASP 57 -13.943 -8.422 -10.127 428 H ASP 58 H ASP 58 -13.434 -5.929 -6.716 429 HA ASP 58 HA ASP 58 -15.268 -4.298 -8.109 430 HB2 ASP 58 HB3 ASP 58 -14.811 -4.269 -5.624 431 HB3 ASP 58 HB2 ASP 58 -13.362 -3.332 -5.976 432 H VAL 59 H VAL 59 -11.741 -4.109 -7.927 433 HA VAL 59 HA VAL 59 -11.830 -2.162 -10.189 434 HB VAL 59 HB VAL 59 -11.317 -0.983 -8.041 435 HG11 VAL 59 HG11 VAL 59 -8.624 -2.226 -7.936 436 HG12 VAL 59 HG12 VAL 59 -9.957 -3.233 -7.371 437 HG13 VAL 59 HG13 VAL 59 -9.658 -1.665 -6.622 438 HG21 VAL 59 HG21 VAL 59 -10.022 0.397 -9.272 439 HG22 VAL 59 HG22 VAL 59 -9.962 -0.862 -10.505 440 HG23 VAL 59 HG23 VAL 59 -8.699 -0.768 -9.277 441 H GLU 60 H GLU 60 -10.167 -2.455 -11.727 442 HA GLU 60 HA GLU 60 -8.929 -5.104 -11.713 443 HB2 GLU 60 HB3 GLU 60 -9.796 -4.041 -13.799 444 HB3 GLU 60 HB2 GLU 60 -8.536 -2.820 -13.666 445 HG2 GLU 60 HG3 GLU 60 -6.828 -4.608 -13.728 446 HG3 GLU 60 HG2 GLU 60 -8.107 -5.796 -13.943 447 H LEU 61 H LEU 61 -6.774 -5.562 -11.329 448 HA LEU 61 HA LEU 61 -5.154 -3.323 -10.236 449 HB2 LEU 61 HB3 LEU 61 -4.648 -6.300 -10.002 450 HB3 LEU 61 HB2 LEU 61 -3.889 -5.014 -9.067 451 HG LEU 61 HG LEU 61 -6.799 -5.821 -9.001 452 HD11 LEU 61 HD11 LEU 61 -6.326 -6.897 -7.059 453 HD12 LEU 61 HD12 LEU 61 -5.212 -5.638 -6.527 454 HD13 LEU 61 HD13 LEU 61 -4.664 -6.885 -7.648 455 HD21 LEU 61 HD21 LEU 61 -5.336 -3.419 -7.933 456 HD22 LEU 61 HD22 LEU 61 -6.749 -4.044 -7.083 457 HD23 LEU 61 HD23 LEU 61 -6.897 -3.491 -8.752 458 H SER 62 H SER 62 -3.189 -2.777 -11.154 459 HA SER 62 HA SER 62 -2.069 -4.522 -13.267 460 HB2 SER 62 HB3 SER 62 -3.591 -2.213 -13.857 461 HB3 SER 62 HB2 SER 62 -1.908 -1.767 -14.121 462 HG SER 62 HG SER 62 -2.747 -4.257 -15.046 463 HA PRO 63 HA PRO 63 1.785 -3.375 -11.472 464 HB2 PRO 63 HB2 PRO 63 3.354 -3.050 -13.739 465 HB3 PRO 63 HB3 PRO 63 2.972 -4.608 -12.988 466 HG2 PRO 63 HG3 PRO 63 1.773 -3.308 -15.371 467 HG3 PRO 63 HG2 PRO 63 2.085 -5.023 -15.051 468 HD2 PRO 63 HD3 PRO 63 -0.405 -3.937 -14.871 469 HD3 PRO 63 HD2 PRO 63 0.120 -5.299 -13.856 470 H GLU 64 H GLU 64 0.611 -1.338 -14.101 471 HA GLU 64 HA GLU 64 2.373 0.874 -13.690 472 HB2 GLU 64 HB3 GLU 64 0.916 0.562 -15.694 473 HB3 GLU 64 HB2 GLU 64 -0.472 0.958 -14.692 474 HG2 GLU 64 HG3 GLU 64 0.581 3.138 -14.149 475 HG3 GLU 64 HG2 GLU 64 1.896 2.745 -15.251 476 H HIS 65 H HIS 65 -0.615 -0.108 -12.131 477 HA HIS 65 HA HIS 65 -1.130 2.373 -10.771 478 HB2 HIS 65 HB3 HIS 65 -2.853 0.641 -11.066 479 HB3 HIS 65 HB2 HIS 65 -1.940 -0.449 -10.022 480 HD1 HIS 65 HD1 HIS 65 -3.235 3.145 -9.757 481 HD2 HIS 65 HD2 HIS 65 -2.859 -0.299 -7.433 482 HE1 HIS 65 HE1 HIS 65 -4.222 3.696 -7.489 483 HE2 HIS 65 HE2 HIS 65 -4.002 1.607 -6.069 484 H PHE 66 H PHE 66 1.006 -0.315 -10.057 485 HA PHE 66 HA PHE 66 1.403 0.669 -7.291 486 HB2 PHE 66 HB3 PHE 66 2.627 -1.701 -8.732 487 HB3 PHE 66 HB2 PHE 66 2.794 -1.342 -7.013 488 HD1 PHE 66 HD2 PHE 66 0.764 -1.355 -5.530 489 HD2 PHE 66 HD1 PHE 66 0.645 -2.704 -9.607 490 HE1 PHE 66 HE2 PHE 66 -1.395 -2.495 -5.091 491 HE2 PHE 66 HE1 PHE 66 -1.512 -3.845 -9.168 492 HZ PHE 66 HZ PHE 66 -2.532 -3.740 -6.912 493 H ARG 67 H ARG 67 2.510 1.745 -10.125 494 HA ARG 67 HA ARG 67 5.343 1.667 -9.934 495 HB2 ARG 67 HB3 ARG 67 3.505 3.776 -11.094 496 HB3 ARG 67 HB2 ARG 67 5.257 3.787 -11.294 497 HG2 ARG 67 HG3 ARG 67 3.770 1.287 -11.958 498 HG3 ARG 67 HG2 ARG 67 3.707 2.629 -13.101 499 HD2 ARG 67 HD3 ARG 67 6.294 1.535 -11.971 500 HD3 ARG 67 HD2 ARG 67 5.597 0.980 -13.492 501 HE ARG 67 HE ARG 67 7.008 3.474 -13.093 502 HH11 ARG 67 HH22 ARG 67 4.416 1.915 -14.747 503 HH12 ARG 67 HH21 ARG 67 4.460 2.988 -16.106 504 HH21 ARG 67 HH11 ARG 67 7.081 4.884 -14.858 505 HH22 ARG 67 HH12 ARG 67 5.970 4.669 -16.169 506 H SER 68 H SER 68 3.004 3.877 -8.431 507 HA SER 68 HA SER 68 5.221 4.797 -6.658 508 HB2 SER 68 HB3 SER 68 4.505 7.108 -6.847 509 HB3 SER 68 HB2 SER 68 4.821 6.484 -8.464 510 HG SER 68 HG SER 68 2.361 5.892 -8.077 511 H ILE 69 H ILE 69 4.548 5.449 -4.566 512 HA ILE 69 HA ILE 69 2.286 4.067 -3.485 513 HB ILE 69 HB ILE 69 3.937 6.328 -2.319 514 HG12 ILE 69 HG13 ILE 69 4.189 3.350 -1.894 515 HG13 ILE 69 HG12 ILE 69 5.183 4.255 -3.026 516 HG21 ILE 69 HG21 ILE 69 2.988 4.521 -0.372 517 HG22 ILE 69 HG22 ILE 69 1.608 4.951 -1.381 518 HG23 ILE 69 HG23 ILE 69 2.540 6.213 -0.576 519 HD11 ILE 69 HD11 ILE 69 5.005 4.703 -0.037 520 HD12 ILE 69 HD12 ILE 69 5.917 5.725 -1.147 521 HD13 ILE 69 HD13 ILE 69 6.383 4.040 -0.916 522 H ARG 70 H ARG 70 2.823 7.425 -4.473 523 HA ARG 70 HA ARG 70 0.482 8.576 -3.350 524 HB2 ARG 70 HB3 ARG 70 2.386 9.830 -4.395 525 HB3 ARG 70 HB2 ARG 70 1.789 9.329 -5.977 526 HG2 ARG 70 HG3 ARG 70 -0.430 10.380 -5.372 527 HG3 ARG 70 HG2 ARG 70 0.354 11.048 -3.939 528 HD2 ARG 70 HD3 ARG 70 1.052 11.589 -6.834 529 HD3 ARG 70 HD2 ARG 70 0.465 12.742 -5.636 530 HE ARG 70 HE ARG 70 3.014 11.415 -4.994 531 HH11 ARG 70 HH22 ARG 70 1.308 14.121 -6.292 532 HH12 ARG 70 HH21 ARG 70 2.633 15.218 -6.094 533 HH21 ARG 70 HH11 ARG 70 4.751 12.836 -4.733 534 HH22 ARG 70 HH12 ARG 70 4.580 14.491 -5.213 535 H SER 71 H SER 71 0.973 6.984 -6.502 536 HA SER 71 HA SER 71 -1.567 7.542 -7.612 537 HB2 SER 71 HB3 SER 71 0.032 4.990 -7.942 538 HB3 SER 71 HB2 SER 71 -1.180 5.619 -9.050 539 HG SER 71 HG SER 71 1.306 6.084 -9.225 540 H ILE 72 H ILE 72 -0.561 4.871 -5.470 541 HA ILE 72 HA ILE 72 -3.115 3.561 -5.472 542 HB ILE 72 HB ILE 72 -0.907 3.528 -3.394 543 HG12 ILE 72 HG13 ILE 72 -1.475 1.623 -5.688 544 HG13 ILE 72 HG12 ILE 72 -0.215 2.857 -5.709 545 HG21 ILE 72 HG21 ILE 72 -2.285 2.209 -2.215 546 HG22 ILE 72 HG22 ILE 72 -2.343 1.085 -3.573 547 HG23 ILE 72 HG23 ILE 72 -3.531 2.382 -3.449 548 HD11 ILE 72 HD11 ILE 72 0.634 1.783 -3.529 549 HD12 ILE 72 HD12 ILE 72 0.899 0.878 -5.019 550 HD13 ILE 72 HD13 ILE 72 -0.413 0.423 -3.932 551 H ASP 73 H ASP 73 -1.639 6.036 -3.407 552 HA ASP 73 HA ASP 73 -3.607 6.102 -1.368 553 HB2 ASP 73 HB3 ASP 73 -1.412 7.301 -1.310 554 HB3 ASP 73 HB2 ASP 73 -2.058 8.460 -2.473 555 H ALA 74 H ALA 74 -3.507 7.796 -4.504 556 HA ALA 74 HA ALA 74 -5.859 9.366 -4.030 557 HB1 ALA 74 HB1 ALA 74 -4.019 9.485 -5.933 558 HB2 ALA 74 HB2 ALA 74 -5.662 10.047 -6.239 559 HB3 ALA 74 HB3 ALA 74 -5.159 8.450 -6.793 560 H PHE 75 H PHE 75 -5.409 6.208 -5.624 561 HA PHE 75 HA PHE 75 -8.159 5.875 -6.341 562 HB2 PHE 75 HB3 PHE 75 -5.857 3.983 -5.916 563 HB3 PHE 75 HB2 PHE 75 -7.476 3.363 -6.233 564 HD1 PHE 75 HD1 PHE 75 -5.301 6.143 -7.529 565 HD2 PHE 75 HD2 PHE 75 -7.925 2.872 -8.458 566 HE1 PHE 75 HE1 PHE 75 -5.001 6.590 -9.950 567 HE2 PHE 75 HE2 PHE 75 -7.626 3.319 -10.879 568 HZ PHE 75 HZ PHE 75 -6.164 5.178 -11.625 569 H VAL 76 H VAL 76 -6.326 4.817 -3.461 570 HA VAL 76 HA VAL 76 -8.567 3.543 -2.205 571 HB VAL 76 HB VAL 76 -5.990 4.686 -1.099 572 HG11 VAL 76 HG11 VAL 76 -7.429 4.683 0.761 573 HG12 VAL 76 HG12 VAL 76 -6.639 3.110 0.853 574 HG13 VAL 76 HG13 VAL 76 -8.279 3.238 0.216 575 HG21 VAL 76 HG21 VAL 76 -6.637 1.782 -1.120 576 HG22 VAL 76 HG22 VAL 76 -5.101 2.593 -1.422 577 HG23 VAL 76 HG23 VAL 76 -6.325 2.523 -2.689 578 H VAL 77 H VAL 77 -7.161 6.821 -1.876 579 HA VAL 77 HA VAL 77 -8.959 7.715 0.146 580 HB VAL 77 HB VAL 77 -7.408 9.179 -1.999 581 HG11 VAL 77 HG11 VAL 77 -7.929 11.106 -0.224 582 HG12 VAL 77 HG12 VAL 77 -9.385 10.139 0.015 583 HG13 VAL 77 HG13 VAL 77 -9.005 10.782 -1.583 584 HG21 VAL 77 HG21 VAL 77 -6.326 7.933 0.024 585 HG22 VAL 77 HG22 VAL 77 -6.988 9.255 0.986 586 HG23 VAL 77 HG23 VAL 77 -5.829 9.594 -0.300 587 H GLY 78 H GLY 78 -9.155 7.784 -3.396 588 HA2 GLY 78 HA3 GLY 78 -11.498 9.352 -3.643 589 HA3 GLY 78 HA2 GLY 78 -10.996 8.123 -4.803 590 H ALA 79 H ALA 79 -11.122 5.922 -2.841 591 HA ALA 79 HA ALA 79 -14.087 5.663 -2.792 592 HB1 ALA 79 HB1 ALA 79 -12.952 3.168 -2.219 593 HB2 ALA 79 HB2 ALA 79 -11.908 3.871 -3.455 594 HB3 ALA 79 HB3 ALA 79 -13.635 3.685 -3.761 595 H THR 80 H THR 80 -11.249 4.823 -0.783 596 HA THR 80 HA THR 80 -12.794 5.528 1.620 597 HB THR 80 HB THR 80 -11.666 2.745 1.278 598 HG1 THR 80 HG1 THR 80 -14.166 2.539 1.670 599 HG21 THR 80 HG21 THR 80 -11.630 3.703 3.589 600 HG22 THR 80 HG22 THR 80 -12.691 2.303 3.434 601 HG23 THR 80 HG23 THR 80 -13.376 3.928 3.478 602 H THR 81 H THR 81 -11.446 6.293 3.212 603 HA THR 81 HA THR 81 -8.511 5.894 2.809 604 HB THR 81 HB THR 81 -8.987 8.193 2.377 605 HG1 THR 81 HG1 THR 81 -7.546 8.875 3.737 606 HG21 THR 81 HG21 THR 81 -11.023 7.747 4.453 607 HG22 THR 81 HG22 THR 81 -11.036 8.856 3.082 608 HG23 THR 81 HG23 THR 81 -10.207 9.306 4.573 609 HA PRO 82 HA PRO 82 -9.522 4.242 6.972 610 HB2 PRO 82 HB2 PRO 82 -8.309 1.865 6.737 611 HB3 PRO 82 HB3 PRO 82 -9.871 2.184 5.955 612 HG2 PRO 82 HG3 PRO 82 -7.148 2.081 4.770 613 HG3 PRO 82 HG2 PRO 82 -8.698 1.556 4.092 614 HD2 PRO 82 HD3 PRO 82 -7.405 3.997 3.539 615 HD3 PRO 82 HD2 PRO 82 -9.100 3.609 3.171 616 HA PRO 83 HA PRO 83 -5.276 5.458 8.187 617 HB2 PRO 83 HB2 PRO 83 -5.883 6.390 10.662 618 HB3 PRO 83 HB3 PRO 83 -6.190 7.332 9.191 619 HG2 PRO 83 HG3 PRO 83 -8.081 5.808 10.891 620 HG3 PRO 83 HG2 PRO 83 -8.324 7.317 9.998 621 HD2 PRO 83 HD3 PRO 83 -9.176 4.795 9.150 622 HD3 PRO 83 HD2 PRO 83 -8.989 6.218 8.103 623 H VAL 84 H VAL 84 -3.778 4.089 9.116 624 HA VAL 84 HA VAL 84 -4.755 2.167 11.196 625 HB VAL 84 HB VAL 84 -2.670 1.611 9.067 626 HG11 VAL 84 HG11 VAL 84 -4.117 -0.303 10.913 627 HG12 VAL 84 HG12 VAL 84 -2.540 0.388 11.293 628 HG13 VAL 84 HG13 VAL 84 -2.731 -0.648 9.879 629 HG21 VAL 84 HG21 VAL 84 -5.579 0.767 9.267 630 HG22 VAL 84 HG22 VAL 84 -4.426 0.130 8.094 631 HG23 VAL 84 HG23 VAL 84 -4.884 1.832 8.045 632 H GLU 85 H GLU 85 -3.549 2.144 13.046 633 HA GLU 85 HA GLU 85 -1.459 4.073 13.451 634 HB2 GLU 85 HB3 GLU 85 -2.244 1.638 15.083 635 HB3 GLU 85 HB2 GLU 85 -1.129 2.891 15.628 636 HG2 GLU 85 HG3 GLU 85 -2.921 4.587 15.332 637 HG3 GLU 85 HG2 GLU 85 -4.035 3.301 14.864 638 H ALA 86 H ALA 86 -1.448 0.617 12.686 639 HA ALA 86 HA ALA 86 1.378 0.856 11.871 640 HB1 ALA 86 HB1 ALA 86 0.845 -0.050 14.421 641 HB2 ALA 86 HB2 ALA 86 2.296 -0.436 13.495 642 HB3 ALA 86 HB3 ALA 86 0.930 -1.551 13.499 643 H LYS 87 H LYS 87 2.018 -0.894 10.460 644 HA LYS 87 HA LYS 87 -0.026 -1.860 8.739 645 HB2 LYS 87 HB3 LYS 87 2.416 -1.664 8.154 646 HB3 LYS 87 HB2 LYS 87 2.712 -3.100 9.136 647 HG2 LYS 87 HG3 LYS 87 1.116 -4.375 7.731 648 HG3 LYS 87 HG2 LYS 87 0.872 -2.944 6.732 649 HD2 LYS 87 HD3 LYS 87 3.377 -2.941 6.317 650 HD3 LYS 87 HD2 LYS 87 3.423 -4.530 7.079 651 HE2 LYS 87 HE3 LYS 87 2.425 -3.754 4.415 652 HE3 LYS 87 HE2 LYS 87 3.015 -5.316 4.984 653 HZ1 LYS 87 HZ1 LYS 87 0.732 -5.582 4.540 654 HZ2 LYS 87 HZ2 LYS 87 0.316 -4.151 5.348 655 HZ3 LYS 87 HZ3 LYS 87 0.861 -5.496 6.232 656 H LEU 88 H LEU 88 1.506 -3.310 11.575 657 HA LEU 88 HA LEU 88 0.572 -5.966 11.284 658 HB2 LEU 88 HB3 LEU 88 0.837 -4.389 13.863 659 HB3 LEU 88 HB2 LEU 88 0.822 -6.146 13.714 660 HG LEU 88 HG LEU 88 2.899 -4.268 12.547 661 HD11 LEU 88 HD11 LEU 88 3.159 -6.417 14.670 662 HD12 LEU 88 HD12 LEU 88 2.997 -4.697 15.025 663 HD13 LEU 88 HD13 LEU 88 4.408 -5.287 14.147 664 HD21 LEU 88 HD21 LEU 88 3.994 -6.657 12.192 665 HD22 LEU 88 HD22 LEU 88 2.872 -6.005 10.998 666 HD23 LEU 88 HD23 LEU 88 2.312 -7.188 12.181 667 H GLN 89 H GLN 89 -1.080 -3.071 12.479 668 HA GLN 89 HA GLN 89 -3.469 -4.608 13.231 669 HB2 GLN 89 HB3 GLN 89 -2.959 -1.621 13.075 670 HB3 GLN 89 HB2 GLN 89 -4.436 -2.356 13.699 671 HG2 GLN 89 HG3 GLN 89 -3.144 -3.523 15.434 672 HG3 GLN 89 HG2 GLN 89 -1.651 -2.829 14.802 673 HE21 GLN 89 HE22 GLN 89 -2.387 -2.285 17.475 674 HE22 GLN 89 HE21 GLN 89 -2.841 -0.655 17.610 675 H1 PN7 101 3HO SAT 38 -1.659 -9.179 -11.578 676 H2 PN7 101 1H1 SAT 38 -0.123 -8.746 -8.676 677 H3 PN7 101 2H1 SAT 38 -1.392 -9.425 -9.694 678 H5 PN7 101 3HE1 SAT 38 0.055 -6.166 -8.868 679 H6 PN7 101 1HE1 SAT 38 0.515 -5.724 -10.511 680 H7 PN7 101 2HE1 SAT 38 1.341 -7.049 -9.689 681 H8 PN7 101 2HE2 SAT 38 -2.295 -7.216 -9.044 682 H9 PN7 101 3HE2 SAT 38 -2.754 -7.485 -10.726 683 H10 PN7 101 1HE2 SAT 38 -2.068 -5.936 -10.236 684 H11 PN7 101 3H SAT 38 -0.803 -6.765 -12.370 685 H12 PN7 101 5H SAT 38 1.558 -6.046 -11.888 686 H13 PN7 101 2H6 SAT 38 3.868 -6.424 -11.585 687 H14 PN7 101 1H6 SAT 38 3.644 -7.464 -12.990 688 H15 PN7 101 1H7 SAT 38 4.055 -9.279 -11.725 689 H16 PN7 101 2H7 SAT 38 2.705 -8.868 -10.671 690 H17 PN7 101 9H SAT 38 3.365 -8.519 -8.494 691 H18 PN7 101 2H10 SAT 38 4.991 -8.918 -6.831 692 H19 PN7 101 1H10 SAT 38 6.201 -8.222 -7.910 693 H20 PN7 101 1H11 SAT 38 5.194 -10.765 -8.919 694 H21 PN7 101 2H11 SAT 38 5.901 -10.932 -7.311 695 H22 PN7 101 2HS1 SAT 38 7.488 -9.614 -9.668 Start of MODEL 15 1 H1 MET 1 H1 MET 1 1.576 12.260 5.323 2 H2 MET 1 H2 MET 1 1.603 10.627 5.793 3 H3 MET 1 H3 MET 1 1.115 11.824 6.895 4 HA MET 1 HA MET 1 -0.703 12.341 5.157 5 HB2 MET 1 HB3 MET 1 -0.016 9.449 4.549 6 HB3 MET 1 HB2 MET 1 -1.364 10.363 3.874 7 HG2 MET 1 HG3 MET 1 1.581 10.971 3.481 8 HG3 MET 1 HG2 MET 1 0.485 10.307 2.270 9 HE1 MET 1 HE1 MET 1 -2.306 12.294 2.919 10 HE2 MET 1 HE2 MET 1 -1.619 11.204 1.717 11 HE3 MET 1 HE3 MET 1 -1.904 12.903 1.315 12 H GLN 2 H GLN 2 -2.319 9.827 5.309 13 HA GLN 2 HA GLN 2 -2.750 9.840 8.270 14 HB2 GLN 2 HB3 GLN 2 -4.708 9.245 6.028 15 HB3 GLN 2 HB2 GLN 2 -5.088 9.230 7.750 16 HG2 GLN 2 HG3 GLN 2 -4.482 11.613 7.913 17 HG3 GLN 2 HG2 GLN 2 -4.086 11.633 6.194 18 HE21 GLN 2 HE22 GLN 2 -6.136 13.330 7.254 19 HE22 GLN 2 HE21 GLN 2 -7.631 12.809 6.641 20 H HIS 3 H HIS 3 -2.768 7.865 9.337 21 HA HIS 3 HA HIS 3 -2.075 5.619 9.613 22 HB2 HIS 3 HB3 HIS 3 -4.487 5.809 7.999 23 HB3 HIS 3 HB2 HIS 3 -3.579 4.346 7.615 24 HD1 HIS 3 HD1 HIS 3 -4.376 2.455 9.019 25 HD2 HIS 3 HD2 HIS 3 -4.412 6.046 11.141 26 HE1 HIS 3 HE1 HIS 3 -5.160 1.896 11.364 27 HE2 HIS 3 HE2 HIS 3 -5.186 4.074 12.663 28 H ALA 4 H ALA 4 -0.594 7.266 7.559 29 HA ALA 4 HA ALA 4 0.025 5.699 5.269 30 HB1 ALA 4 HB1 ALA 4 1.474 7.379 4.826 31 HB2 ALA 4 HB2 ALA 4 2.312 7.165 6.363 32 HB3 ALA 4 HB3 ALA 4 0.846 8.142 6.287 33 H SER 5 H SER 5 1.356 5.635 8.563 34 HA SER 5 HA SER 5 3.516 3.848 7.998 35 HB2 SER 5 HB3 SER 5 3.603 3.467 10.391 36 HB3 SER 5 HB2 SER 5 3.235 5.168 10.120 37 HG SER 5 HG SER 5 1.587 3.078 11.014 38 H VAL 6 H VAL 6 0.110 3.282 8.773 39 HA VAL 6 HA VAL 6 0.352 0.433 9.095 40 HB VAL 6 HB VAL 6 -1.993 2.165 8.294 41 HG11 VAL 6 HG11 VAL 6 -2.850 0.177 7.563 42 HG12 VAL 6 HG12 VAL 6 -3.080 -0.128 9.284 43 HG13 VAL 6 HG13 VAL 6 -1.663 -0.773 8.456 44 HG21 VAL 6 HG21 VAL 6 -2.272 0.854 10.815 45 HG22 VAL 6 HG22 VAL 6 -2.122 2.584 10.504 46 HG23 VAL 6 HG23 VAL 6 -0.678 1.609 10.775 47 H ILE 7 H ILE 7 -0.278 2.524 6.309 48 HA ILE 7 HA ILE 7 -0.835 0.460 4.426 49 HB ILE 7 HB ILE 7 0.495 3.150 3.990 50 HG12 ILE 7 HG13 ILE 7 -2.416 2.323 3.742 51 HG13 ILE 7 HG12 ILE 7 -1.745 3.199 5.118 52 HG21 ILE 7 HG21 ILE 7 -0.474 2.866 1.676 53 HG22 ILE 7 HG22 ILE 7 -0.851 1.196 2.100 54 HG23 ILE 7 HG23 ILE 7 0.827 1.737 2.052 55 HD11 ILE 7 HD11 ILE 7 -2.754 4.332 2.774 56 HD12 ILE 7 HD12 ILE 7 -1.004 4.445 2.593 57 HD13 ILE 7 HD13 ILE 7 -1.793 5.156 4.001 58 H ALA 8 H ALA 8 2.246 2.113 5.171 59 HA ALA 8 HA ALA 8 3.840 0.472 3.440 60 HB1 ALA 8 HB1 ALA 8 4.623 2.641 4.366 61 HB2 ALA 8 HB2 ALA 8 5.757 1.335 4.712 62 HB3 ALA 8 HB3 ALA 8 4.672 1.918 5.974 63 H GLN 9 H GLN 9 3.159 0.296 6.922 64 HA GLN 9 HA GLN 9 4.680 -2.071 7.429 65 HB2 GLN 9 HB3 GLN 9 3.806 -0.539 9.195 66 HB3 GLN 9 HB2 GLN 9 2.174 -1.103 8.839 67 HG2 GLN 9 HG3 GLN 9 3.596 -3.460 9.185 68 HG3 GLN 9 HG2 GLN 9 4.282 -2.389 10.406 69 HE21 GLN 9 HE22 GLN 9 0.988 -3.097 9.090 70 HE22 GLN 9 HE21 GLN 9 0.237 -3.146 10.613 71 H PHE 10 H PHE 10 1.268 -1.579 6.603 72 HA PHE 10 HA PHE 10 0.515 -4.340 6.695 73 HB2 PHE 10 HB3 PHE 10 -1.083 -2.414 6.698 74 HB3 PHE 10 HB2 PHE 10 -0.684 -2.127 5.005 75 HD1 PHE 10 HD2 PHE 10 -2.190 -4.539 7.384 76 HD2 PHE 10 HD1 PHE 10 -1.562 -3.518 3.260 77 HE1 PHE 10 HE2 PHE 10 -3.858 -6.245 6.708 78 HE2 PHE 10 HE1 PHE 10 -3.231 -5.224 2.583 79 HZ PHE 10 HZ PHE 10 -4.379 -6.585 4.309 80 H VAL 11 H VAL 11 1.456 -2.239 3.978 81 HA VAL 11 HA VAL 11 1.340 -4.328 1.999 82 HB VAL 11 HB VAL 11 2.920 -1.738 2.023 83 HG11 VAL 11 HG11 VAL 11 3.831 -2.504 0.113 84 HG12 VAL 11 HG12 VAL 11 2.215 -2.497 -0.595 85 HG13 VAL 11 HG13 VAL 11 2.838 -3.960 0.169 86 HG21 VAL 11 HG21 VAL 11 0.605 -1.856 0.283 87 HG22 VAL 11 HG22 VAL 11 0.975 -0.697 1.560 88 HG23 VAL 11 HG23 VAL 11 0.143 -2.203 1.949 89 H VAL 12 H VAL 12 4.009 -2.932 3.894 90 HA VAL 12 HA VAL 12 6.074 -4.560 2.770 91 HB VAL 12 HB VAL 12 5.886 -3.268 5.495 92 HG11 VAL 12 HG11 VAL 12 7.609 -5.050 5.356 93 HG12 VAL 12 HG12 VAL 12 8.330 -3.454 5.529 94 HG13 VAL 12 HG13 VAL 12 8.306 -4.246 3.954 95 HG21 VAL 12 HG21 VAL 12 6.614 -1.322 4.530 96 HG22 VAL 12 HG22 VAL 12 5.846 -2.005 3.097 97 HG23 VAL 12 HG23 VAL 12 7.587 -2.168 3.326 98 H GLU 13 H GLU 13 3.819 -5.068 5.437 99 HA GLU 13 HA GLU 13 5.003 -7.323 6.645 100 HB2 GLU 13 HB3 GLU 13 2.975 -6.158 7.501 101 HB3 GLU 13 HB2 GLU 13 2.050 -6.880 6.190 102 HG2 GLU 13 HG3 GLU 13 2.705 -9.137 7.006 103 HG3 GLU 13 HG2 GLU 13 3.526 -8.370 8.363 104 H GLU 14 H GLU 14 3.215 -7.060 3.632 105 HA GLU 14 HA GLU 14 2.746 -9.865 3.251 106 HB2 GLU 14 HB3 GLU 14 3.067 -7.622 1.235 107 HB3 GLU 14 HB2 GLU 14 2.496 -9.244 0.840 108 HG2 GLU 14 HG3 GLU 14 0.634 -8.961 2.460 109 HG3 GLU 14 HG2 GLU 14 1.184 -7.316 2.778 110 H PHE 15 H PHE 15 5.533 -7.798 2.657 111 HA PHE 15 HA PHE 15 7.104 -10.246 2.049 112 HB2 PHE 15 HB3 PHE 15 8.182 -9.210 0.127 113 HB3 PHE 15 HB2 PHE 15 6.437 -9.200 -0.124 114 HD1 PHE 15 HD2 PHE 15 5.130 -7.089 0.415 115 HD2 PHE 15 HD1 PHE 15 9.420 -7.179 0.209 116 HE1 PHE 15 HE2 PHE 15 5.171 -4.621 0.188 117 HE2 PHE 15 HE1 PHE 15 9.460 -4.711 -0.014 118 HZ PHE 15 HZ PHE 15 7.336 -3.431 -0.026 119 H LEU 16 H LEU 16 7.097 -8.853 4.484 120 HA LEU 16 HA LEU 16 9.280 -6.934 4.483 121 HB2 LEU 16 HB3 LEU 16 8.719 -6.483 6.647 122 HB3 LEU 16 HB2 LEU 16 7.213 -7.215 6.142 123 HG LEU 16 HG LEU 16 9.469 -8.635 7.601 124 HD11 LEU 16 HD11 LEU 16 7.334 -8.791 9.228 125 HD12 LEU 16 HD12 LEU 16 6.979 -7.254 8.439 126 HD13 LEU 16 HD13 LEU 16 8.499 -7.470 9.307 127 HD21 LEU 16 HD21 LEU 16 6.790 -9.860 7.487 128 HD22 LEU 16 HD22 LEU 16 8.371 -10.607 7.275 129 HD23 LEU 16 HD23 LEU 16 7.596 -9.787 5.925 130 HA PRO 17 HA PRO 17 12.377 -10.153 4.887 131 HB2 PRO 17 HB2 PRO 17 14.559 -8.557 5.194 132 HB3 PRO 17 HB3 PRO 17 13.740 -8.739 3.633 133 HG2 PRO 17 HG3 PRO 17 13.548 -6.532 5.621 134 HG3 PRO 17 HG2 PRO 17 13.620 -6.456 3.854 135 HD2 PRO 17 HD3 PRO 17 11.289 -6.225 5.292 136 HD3 PRO 17 HD2 PRO 17 11.366 -6.814 3.617 137 H ASP 18 H ASP 18 14.689 -9.579 6.614 138 HA ASP 18 HA ASP 18 13.478 -10.226 9.179 139 HB2 ASP 18 HB3 ASP 18 16.338 -9.721 8.340 140 HB3 ASP 18 HB2 ASP 18 15.865 -10.225 9.958 141 H VAL 19 H VAL 19 13.408 -7.442 7.680 142 HA VAL 19 HA VAL 19 14.230 -5.797 10.044 143 HB VAL 19 HB VAL 19 13.798 -4.886 7.186 144 HG11 VAL 19 HG11 VAL 19 14.923 -3.575 9.675 145 HG12 VAL 19 HG12 VAL 19 13.515 -3.071 8.738 146 HG13 VAL 19 HG13 VAL 19 15.133 -2.909 8.055 147 HG21 VAL 19 HG21 VAL 19 16.186 -5.963 8.637 148 HG22 VAL 19 HG22 VAL 19 16.435 -4.628 7.512 149 HG23 VAL 19 HG23 VAL 19 15.732 -6.141 6.942 150 H ALA 20 H ALA 20 12.661 -4.563 11.043 151 HA ALA 20 HA ALA 20 9.890 -5.086 10.438 152 HB1 ALA 20 HB1 ALA 20 9.583 -4.250 12.509 153 HB2 ALA 20 HB2 ALA 20 10.294 -2.705 12.044 154 HB3 ALA 20 HB3 ALA 20 11.329 -4.022 12.597 155 HA PRO 21 HA PRO 21 9.228 -2.099 7.156 156 HB2 PRO 21 HB2 PRO 21 6.724 -1.439 8.644 157 HB3 PRO 21 HB3 PRO 21 6.944 -1.848 6.932 158 HG2 PRO 21 HG3 PRO 21 5.943 -3.595 8.690 159 HG3 PRO 21 HG2 PRO 21 6.960 -4.097 7.329 160 HD2 PRO 21 HD3 PRO 21 7.619 -4.011 10.222 161 HD3 PRO 21 HD2 PRO 21 8.312 -5.006 8.921 162 H ALA 22 H ALA 22 8.730 -1.182 10.531 163 HA ALA 22 HA ALA 22 8.771 1.667 10.110 164 HB1 ALA 22 HB1 ALA 22 8.003 1.295 12.230 165 HB2 ALA 22 HB2 ALA 22 9.714 1.380 12.649 166 HB3 ALA 22 HB3 ALA 22 8.941 -0.188 12.413 167 H ASP 23 H ASP 23 11.233 -0.774 10.265 168 HA ASP 23 HA ASP 23 13.355 1.306 10.463 169 HB2 ASP 23 HB3 ASP 23 13.468 -1.713 10.737 170 HB3 ASP 23 HB2 ASP 23 14.880 -0.658 10.802 171 H VAL 24 H VAL 24 11.572 0.075 8.100 172 HA VAL 24 HA VAL 24 13.793 -0.594 6.255 173 HB VAL 24 HB VAL 24 11.365 -1.717 6.441 174 HG11 VAL 24 HG11 VAL 24 9.776 -0.802 4.927 175 HG12 VAL 24 HG12 VAL 24 10.957 0.307 4.233 176 HG13 VAL 24 HG13 VAL 24 10.349 0.574 5.867 177 HG21 VAL 24 HG21 VAL 24 13.233 -2.409 4.955 178 HG22 VAL 24 HG22 VAL 24 12.770 -1.149 3.811 179 HG23 VAL 24 HG23 VAL 24 11.676 -2.494 4.131 180 H ASP 25 H ASP 25 14.336 0.734 4.501 181 HA ASP 25 HA ASP 25 13.781 3.548 4.819 182 HB2 ASP 25 HB3 ASP 25 15.062 1.998 2.549 183 HB3 ASP 25 HB2 ASP 25 15.013 3.759 2.641 184 H VAL 26 H VAL 26 11.458 3.694 4.681 185 HA VAL 26 HA VAL 26 9.889 2.690 2.537 186 HB VAL 26 HB VAL 26 8.868 3.552 4.574 187 HG11 VAL 26 HG11 VAL 26 9.558 5.476 5.521 188 HG12 VAL 26 HG12 VAL 26 9.132 6.386 4.071 189 HG13 VAL 26 HG13 VAL 26 10.728 5.649 4.213 190 HG21 VAL 26 HG21 VAL 26 7.913 3.946 2.085 191 HG22 VAL 26 HG22 VAL 26 7.989 5.619 2.631 192 HG23 VAL 26 HG23 VAL 26 7.033 4.441 3.530 193 H ASP 27 H ASP 27 12.467 4.657 2.211 194 HA ASP 27 HA ASP 27 11.275 6.427 0.148 195 HB2 ASP 27 HB3 ASP 27 14.066 6.275 1.331 196 HB3 ASP 27 HB2 ASP 27 13.584 7.412 0.072 197 H LEU 28 H LEU 28 12.077 3.346 0.196 198 HA LEU 28 HA LEU 28 13.858 3.245 -2.153 199 HB2 LEU 28 HB3 LEU 28 14.028 1.589 -0.276 200 HB3 LEU 28 HB2 LEU 28 12.432 0.989 -0.715 201 HG LEU 28 HG LEU 28 13.540 0.801 -3.125 202 HD11 LEU 28 HD11 LEU 28 15.899 0.526 -1.242 203 HD12 LEU 28 HD12 LEU 28 15.671 1.834 -2.403 204 HD13 LEU 28 HD13 LEU 28 15.909 0.182 -2.972 205 HD21 LEU 28 HD21 LEU 28 12.629 -1.118 -2.016 206 HD22 LEU 28 HD22 LEU 28 13.894 -1.089 -0.787 207 HD23 LEU 28 HD23 LEU 28 14.287 -1.542 -2.446 208 H ASP 29 H ASP 29 13.156 2.854 -4.229 209 HA ASP 29 HA ASP 29 10.378 3.211 -4.856 210 HB2 ASP 29 HB3 ASP 29 12.653 2.093 -6.529 211 HB3 ASP 29 HB2 ASP 29 11.065 2.527 -7.163 212 H LEU 30 H LEU 30 8.804 1.699 -4.609 213 HA LEU 30 HA LEU 30 9.533 -1.063 -4.017 214 HB2 LEU 30 HB3 LEU 30 7.156 -1.403 -3.636 215 HB3 LEU 30 HB2 LEU 30 7.637 0.121 -2.889 216 HG LEU 30 HG LEU 30 6.946 0.766 -5.545 217 HD11 LEU 30 HD11 LEU 30 4.672 -0.119 -5.749 218 HD12 LEU 30 HD12 LEU 30 4.859 -1.005 -4.236 219 HD13 LEU 30 HD13 LEU 30 5.820 -1.453 -5.645 220 HD21 LEU 30 HD21 LEU 30 5.394 1.048 -2.954 221 HD22 LEU 30 HD22 LEU 30 5.093 1.974 -4.424 222 HD23 LEU 30 HD23 LEU 30 6.615 2.170 -3.554 223 H VAL 31 H VAL 31 9.632 0.417 -6.843 224 HA VAL 31 HA VAL 31 7.920 -0.980 -8.609 225 HB VAL 31 HB VAL 31 10.741 0.047 -9.020 226 HG11 VAL 31 HG11 VAL 31 10.409 -1.601 -10.717 227 HG12 VAL 31 HG12 VAL 31 10.043 -0.053 -11.480 228 HG13 VAL 31 HG13 VAL 31 8.732 -1.113 -10.962 229 HG21 VAL 31 HG21 VAL 31 9.436 1.817 -10.305 230 HG22 VAL 31 HG22 VAL 31 9.205 1.836 -8.557 231 HG23 VAL 31 HG23 VAL 31 7.972 1.130 -9.602 232 H ASP 32 H ASP 32 11.081 -1.894 -7.291 233 HA ASP 32 HA ASP 32 11.474 -4.277 -8.777 234 HB2 ASP 32 HB3 ASP 32 12.221 -3.620 -5.910 235 HB3 ASP 32 HB2 ASP 32 12.803 -5.040 -6.779 236 H ASN 33 H ASN 33 9.555 -3.622 -5.891 237 HA ASN 33 HA ASN 33 8.692 -6.426 -5.682 238 HB2 ASN 33 HB3 ASN 33 7.768 -3.972 -4.173 239 HB3 ASN 33 HB2 ASN 33 7.382 -5.640 -3.761 240 HD21 ASN 33 HD22 ASN 33 9.727 -3.137 -3.375 241 HD22 ASN 33 HD21 ASN 33 10.912 -4.066 -2.592 242 H GLY 34 H GLY 34 8.055 -4.277 -7.901 243 HA2 GLY 34 HA3 GLY 34 5.391 -3.587 -8.039 244 HA3 GLY 34 HA2 GLY 34 6.284 -4.148 -9.453 245 H VAL 35 H VAL 35 6.629 -6.779 -7.778 246 HA VAL 35 HA VAL 35 4.715 -8.343 -9.108 247 HB VAL 35 HB VAL 35 6.740 -9.094 -7.690 248 HG11 VAL 35 HG11 VAL 35 5.620 -7.884 -5.665 249 HG12 VAL 35 HG12 VAL 35 6.433 -9.425 -5.394 250 HG13 VAL 35 HG13 VAL 35 4.675 -9.364 -5.527 251 HG21 VAL 35 HG21 VAL 35 5.208 -10.660 -8.827 252 HG22 VAL 35 HG22 VAL 35 4.085 -10.553 -7.471 253 HG23 VAL 35 HG23 VAL 35 5.673 -11.287 -7.245 254 H ILE 36 H ILE 36 4.418 -6.466 -6.171 255 HA ILE 36 HA ILE 36 1.902 -7.584 -5.297 256 HB ILE 36 HB ILE 36 3.671 -6.039 -4.063 257 HG12 ILE 36 HG13 ILE 36 0.670 -5.770 -3.692 258 HG13 ILE 36 HG12 ILE 36 1.687 -7.040 -3.014 259 HG21 ILE 36 HG21 ILE 36 1.636 -3.968 -4.889 260 HG22 ILE 36 HG22 ILE 36 3.120 -4.205 -5.814 261 HG23 ILE 36 HG23 ILE 36 3.205 -3.723 -4.120 262 HD11 ILE 36 HD11 ILE 36 1.821 -4.082 -2.392 263 HD12 ILE 36 HD12 ILE 36 3.019 -5.255 -1.844 264 HD13 ILE 36 HD13 ILE 36 1.348 -5.378 -1.293 265 H ASP 37 H ASP 37 2.821 -5.276 -7.687 266 HA ASP 37 HA ASP 37 0.567 -3.622 -7.873 267 HB2 ASP 37 HB3 ASP 37 2.319 -4.705 -10.088 268 HB3 ASP 37 HB2 ASP 37 1.162 -3.392 -10.290 269 H SER 38 H SER 38 0.927 -6.933 -9.144 270 HA SER 38 HA SER 38 -1.913 -6.727 -10.065 271 HB2 SER 38 2HB SER 38 0.303 -8.531 -11.051 272 HB3 SER 38 1HB SER 38 -1.367 -8.605 -11.601 273 H LEU 39 H LEU 39 0.280 -9.382 -9.078 274 HA LEU 39 HA LEU 39 -1.839 -11.063 -8.215 275 HB2 LEU 39 HB3 LEU 39 0.501 -11.812 -8.704 276 HB3 LEU 39 HB2 LEU 39 0.999 -11.068 -7.188 277 HG LEU 39 HG LEU 39 -1.316 -12.891 -6.975 278 HD11 LEU 39 HD11 LEU 39 1.432 -13.819 -7.818 279 HD12 LEU 39 HD12 LEU 39 -0.129 -14.261 -8.511 280 HD13 LEU 39 HD13 LEU 39 0.332 -14.865 -6.920 281 HD21 LEU 39 HD21 LEU 39 -0.279 -11.881 -5.002 282 HD22 LEU 39 HD22 LEU 39 1.293 -12.533 -5.465 283 HD23 LEU 39 HD23 LEU 39 -0.005 -13.622 -4.977 284 H GLY 40 H GLY 40 0.363 -9.051 -6.273 285 HA2 GLY 40 HA3 GLY 40 -1.060 -9.557 -3.815 286 HA3 GLY 40 HA2 GLY 40 0.143 -8.299 -4.066 287 H LEU 41 H LEU 41 -1.136 -6.969 -6.234 288 HA LEU 41 HA LEU 41 -2.824 -5.168 -4.834 289 HB2 LEU 41 HB3 LEU 41 -1.639 -4.679 -6.985 290 HB3 LEU 41 HB2 LEU 41 -2.812 -5.700 -7.815 291 HG LEU 41 HG LEU 41 -4.630 -4.232 -6.833 292 HD11 LEU 41 HD11 LEU 41 -3.886 -2.912 -5.139 293 HD12 LEU 41 HD12 LEU 41 -3.387 -1.832 -6.439 294 HD13 LEU 41 HD13 LEU 41 -2.221 -2.937 -5.717 295 HD21 LEU 41 HD21 LEU 41 -3.940 -3.988 -9.162 296 HD22 LEU 41 HD22 LEU 41 -2.576 -2.980 -8.679 297 HD23 LEU 41 HD23 LEU 41 -4.224 -2.390 -8.471 298 H LEU 42 H LEU 42 -3.625 -7.961 -6.878 299 HA LEU 42 HA LEU 42 -6.464 -7.558 -6.843 300 HB2 LEU 42 HB3 LEU 42 -4.616 -9.768 -7.521 301 HB3 LEU 42 HB2 LEU 42 -6.231 -10.259 -7.033 302 HG LEU 42 HG LEU 42 -5.915 -9.833 -9.517 303 HD11 LEU 42 HD11 LEU 42 -8.013 -8.012 -9.188 304 HD12 LEU 42 HD12 LEU 42 -8.030 -8.980 -7.714 305 HD13 LEU 42 HD13 LEU 42 -8.156 -9.767 -9.287 306 HD21 LEU 42 HD21 LEU 42 -6.281 -6.939 -9.019 307 HD22 LEU 42 HD22 LEU 42 -5.390 -7.756 -10.301 308 HD23 LEU 42 HD23 LEU 42 -4.665 -7.566 -8.709 309 H LYS 43 H LYS 43 -4.307 -9.460 -4.739 310 HA LYS 43 HA LYS 43 -6.373 -10.490 -3.053 311 HB2 LYS 43 HB3 LYS 43 -3.458 -9.930 -2.488 312 HB3 LYS 43 HB2 LYS 43 -4.518 -10.843 -1.421 313 HG2 LYS 43 HG3 LYS 43 -4.950 -12.462 -3.243 314 HG3 LYS 43 HG2 LYS 43 -3.859 -11.557 -4.291 315 HD2 LYS 43 HD3 LYS 43 -2.633 -13.424 -3.336 316 HD3 LYS 43 HD2 LYS 43 -2.027 -11.930 -2.623 317 HE2 LYS 43 HE3 LYS 43 -2.872 -12.415 -0.550 318 HE3 LYS 43 HE2 LYS 43 -4.293 -13.227 -1.204 319 HZ1 LYS 43 HZ1 LYS 43 -2.657 -14.712 -0.083 320 HZ2 LYS 43 HZ2 LYS 43 -1.558 -14.366 -1.328 321 HZ3 LYS 43 HZ3 LYS 43 -3.023 -15.151 -1.683 322 H VAL 44 H VAL 44 -4.452 -7.513 -2.941 323 HA VAL 44 HA VAL 44 -5.356 -6.619 -0.375 324 HB VAL 44 HB VAL 44 -4.397 -5.086 -2.805 325 HG11 VAL 44 HG11 VAL 44 -5.216 -3.268 -1.733 326 HG12 VAL 44 HG12 VAL 44 -3.924 -3.533 -0.561 327 HG13 VAL 44 HG13 VAL 44 -5.536 -4.182 -0.259 328 HG21 VAL 44 HG21 VAL 44 -2.279 -5.324 -1.942 329 HG22 VAL 44 HG22 VAL 44 -2.988 -6.789 -1.262 330 HG23 VAL 44 HG23 VAL 44 -2.849 -5.335 -0.273 331 H ILE 45 H ILE 45 -6.596 -5.974 -3.658 332 HA ILE 45 HA ILE 45 -8.702 -4.229 -2.858 333 HB ILE 45 HB ILE 45 -8.047 -5.855 -5.259 334 HG12 ILE 45 HG13 ILE 45 -8.285 -3.728 -6.360 335 HG13 ILE 45 HG12 ILE 45 -9.133 -3.041 -4.976 336 HG21 ILE 45 HG21 ILE 45 -10.319 -5.163 -6.225 337 HG22 ILE 45 HG22 ILE 45 -10.838 -4.934 -4.556 338 HG23 ILE 45 HG23 ILE 45 -10.322 -6.528 -5.110 339 HD11 ILE 45 HD11 ILE 45 -6.514 -2.638 -5.371 340 HD12 ILE 45 HD12 ILE 45 -6.412 -4.160 -4.491 341 HD13 ILE 45 HD13 ILE 45 -7.200 -2.767 -3.753 342 H ALA 46 H ALA 46 -8.637 -7.767 -3.310 343 HA ALA 46 HA ALA 46 -11.404 -8.197 -2.730 344 HB1 ALA 46 HB1 ALA 46 -8.933 -9.910 -2.606 345 HB2 ALA 46 HB2 ALA 46 -10.318 -10.040 -3.692 346 HB3 ALA 46 HB3 ALA 46 -10.471 -10.530 -2.005 347 H TRP 47 H TRP 47 -8.525 -8.210 -0.622 348 HA TRP 47 HA TRP 47 -10.057 -8.795 1.771 349 HB2 TRP 47 HB3 TRP 47 -7.858 -9.364 2.135 350 HB3 TRP 47 HB2 TRP 47 -7.243 -8.048 1.135 351 HD1 TRP 47 HD1 TRP 47 -8.591 -8.766 4.648 352 HE1 TRP 47 HE1 TRP 47 -7.883 -6.835 6.204 353 HE3 TRP 47 HE3 TRP 47 -6.551 -5.579 1.233 354 HZ2 TRP 47 HZ2 TRP 47 -6.614 -4.276 6.020 355 HZ3 TRP 47 HZ3 TRP 47 -5.600 -3.407 1.939 356 HH2 TRP 47 HH2 TRP 47 -5.628 -2.752 4.325 357 H LEU 48 H LEU 48 -8.825 -5.847 0.237 358 HA LEU 48 HA LEU 48 -9.429 -4.019 2.306 359 HB2 LEU 48 HB3 LEU 48 -8.168 -3.515 0.179 360 HB3 LEU 48 HB2 LEU 48 -9.707 -3.507 -0.665 361 HG LEU 48 HG LEU 48 -10.414 -1.803 1.183 362 HD11 LEU 48 HD11 LEU 48 -7.902 -2.353 2.101 363 HD12 LEU 48 HD12 LEU 48 -8.780 -0.867 2.460 364 HD13 LEU 48 HD13 LEU 48 -7.606 -0.904 1.145 365 HD21 LEU 48 HD21 LEU 48 -10.294 -1.163 -1.135 366 HD22 LEU 48 HD22 LEU 48 -8.531 -1.217 -1.115 367 HD23 LEU 48 HD23 LEU 48 -9.385 0.046 -0.227 368 H GLU 49 H GLU 49 -11.497 -5.321 -0.283 369 HA GLU 49 HA GLU 49 -13.787 -3.705 0.290 370 HB2 GLU 49 HB3 GLU 49 -13.807 -4.920 -1.760 371 HB3 GLU 49 HB2 GLU 49 -13.459 -6.444 -0.947 372 HG2 GLU 49 HG3 GLU 49 -15.911 -5.083 -0.017 373 HG3 GLU 49 HG2 GLU 49 -15.963 -5.643 -1.686 374 H ASP 50 H ASP 50 -12.732 -6.862 1.542 375 HA ASP 50 HA ASP 50 -15.032 -7.276 3.214 376 HB2 ASP 50 HB3 ASP 50 -13.366 -9.036 2.517 377 HB3 ASP 50 HB2 ASP 50 -12.239 -8.323 3.668 378 H ARG 51 H ARG 51 -11.868 -5.790 3.786 379 HA ARG 51 HA ARG 51 -12.128 -5.427 6.590 380 HB2 ARG 51 HB3 ARG 51 -10.019 -5.136 5.270 381 HB3 ARG 51 HB2 ARG 51 -10.669 -3.625 4.638 382 HG2 ARG 51 HG3 ARG 51 -9.380 -2.888 6.447 383 HG3 ARG 51 HG2 ARG 51 -10.985 -3.001 7.162 384 HD2 ARG 51 HD3 ARG 51 -10.434 -5.249 8.041 385 HD3 ARG 51 HD2 ARG 51 -8.826 -5.124 7.330 386 HE ARG 51 HE ARG 51 -9.147 -2.854 8.963 387 HH11 ARG 51 HH22 ARG 51 -9.146 -6.293 9.215 388 HH12 ARG 51 HH21 ARG 51 -8.538 -6.307 10.837 389 HH21 ARG 51 HH11 ARG 51 -8.352 -2.852 11.079 390 HH22 ARG 51 HH12 ARG 51 -8.088 -4.359 11.892 391 H PHE 52 H PHE 52 -13.022 -3.203 3.920 392 HA PHE 52 HA PHE 52 -14.426 -1.524 5.949 393 HB2 PHE 52 HB3 PHE 52 -13.412 -0.881 3.171 394 HB3 PHE 52 HB2 PHE 52 -14.331 0.232 4.177 395 HD1 PHE 52 HD1 PHE 52 -13.390 1.074 6.318 396 HD2 PHE 52 HD2 PHE 52 -11.100 -1.380 3.638 397 HE1 PHE 52 HE1 PHE 52 -11.308 1.733 7.494 398 HE2 PHE 52 HE2 PHE 52 -9.018 -0.721 4.814 399 HZ PHE 52 HZ PHE 52 -9.122 0.835 6.742 400 H GLY 53 H GLY 53 -15.077 -3.853 3.615 401 HA2 GLY 53 HA3 GLY 53 -17.155 -4.564 2.744 402 HA3 GLY 53 HA2 GLY 53 -17.923 -3.314 3.724 403 H ILE 54 H ILE 54 -15.353 -2.685 1.397 404 HA ILE 54 HA ILE 54 -17.272 -0.980 -0.122 405 HB ILE 54 HB ILE 54 -14.239 -0.960 -0.123 406 HG12 ILE 54 HG13 ILE 54 -16.129 1.013 1.183 407 HG13 ILE 54 HG12 ILE 54 -15.399 -0.332 2.060 408 HG21 ILE 54 HG21 ILE 54 -14.974 0.004 -2.158 409 HG22 ILE 54 HG22 ILE 54 -14.746 1.385 -1.085 410 HG23 ILE 54 HG23 ILE 54 -16.368 0.765 -1.391 411 HD11 ILE 54 HD11 ILE 54 -13.927 1.898 0.630 412 HD12 ILE 54 HD12 ILE 54 -13.148 0.496 1.363 413 HD13 ILE 54 HD13 ILE 54 -14.020 1.648 2.374 414 H ALA 55 H ALA 55 -17.449 -1.212 -2.378 415 HA ALA 55 HA ALA 55 -17.068 -3.817 -3.469 416 HB1 ALA 55 HB1 ALA 55 -18.639 -2.727 -4.728 417 HB2 ALA 55 HB2 ALA 55 -17.236 -2.282 -5.700 418 HB3 ALA 55 HB3 ALA 55 -17.873 -1.154 -4.504 419 H ALA 56 H ALA 56 -15.522 -4.556 -5.023 420 HA ALA 56 HA ALA 56 -12.835 -3.832 -4.528 421 HB1 ALA 56 HB1 ALA 56 -12.805 -4.895 -7.095 422 HB2 ALA 56 HB2 ALA 56 -14.265 -5.582 -6.383 423 HB3 ALA 56 HB3 ALA 56 -12.704 -5.819 -5.596 424 H ASP 57 H ASP 57 -15.087 -2.668 -7.009 425 HA ASP 57 HA ASP 57 -14.845 -0.908 -8.554 426 HB2 ASP 57 HB3 ASP 57 -13.018 0.052 -6.342 427 HB3 ASP 57 HB2 ASP 57 -13.562 1.053 -7.686 428 H ASP 58 H ASP 58 -13.378 -3.064 -9.320 429 HA ASP 58 HA ASP 58 -10.561 -2.527 -9.611 430 HB2 ASP 58 HB3 ASP 58 -11.584 -4.802 -9.750 431 HB3 ASP 58 HB2 ASP 58 -12.302 -4.337 -11.291 432 H VAL 59 H VAL 59 -9.734 -0.956 -10.855 433 HA VAL 59 HA VAL 59 -11.032 -0.382 -13.484 434 HB VAL 59 HB VAL 59 -10.531 2.002 -13.174 435 HG11 VAL 59 HG11 VAL 59 -11.872 1.287 -10.601 436 HG12 VAL 59 HG12 VAL 59 -12.608 0.710 -12.097 437 HG13 VAL 59 HG13 VAL 59 -12.367 2.439 -11.842 438 HG21 VAL 59 HG21 VAL 59 -9.797 2.729 -10.850 439 HG22 VAL 59 HG22 VAL 59 -8.560 1.902 -11.798 440 HG23 VAL 59 HG23 VAL 59 -9.420 1.037 -10.525 441 H GLU 60 H GLU 60 -9.433 0.615 -15.044 442 HA GLU 60 HA GLU 60 -7.024 -0.906 -15.144 443 HB2 GLU 60 HB3 GLU 60 -8.123 0.189 -17.115 444 HB3 GLU 60 HB2 GLU 60 -7.559 1.744 -16.515 445 HG2 GLU 60 HG3 GLU 60 -5.228 0.885 -16.596 446 HG3 GLU 60 HG2 GLU 60 -5.835 -0.603 -17.312 447 H LEU 61 H LEU 61 -5.142 -0.620 -14.062 448 HA LEU 61 HA LEU 61 -4.627 2.042 -12.810 449 HB2 LEU 61 HB3 LEU 61 -3.675 -0.676 -11.864 450 HB3 LEU 61 HB2 LEU 61 -3.440 0.864 -11.036 451 HG LEU 61 HG LEU 61 -6.200 0.719 -11.528 452 HD11 LEU 61 HD11 LEU 61 -5.083 -1.920 -10.537 453 HD12 LEU 61 HD12 LEU 61 -6.016 -1.663 -12.011 454 HD13 LEU 61 HD13 LEU 61 -6.780 -1.454 -10.435 455 HD21 LEU 61 HD21 LEU 61 -5.246 1.717 -9.548 456 HD22 LEU 61 HD22 LEU 61 -4.516 0.187 -9.065 457 HD23 LEU 61 HD23 LEU 61 -6.268 0.381 -9.018 458 H SER 62 H SER 62 -2.548 2.916 -13.057 459 HA SER 62 HA SER 62 -0.862 1.549 -15.090 460 HB2 SER 62 HB3 SER 62 -1.703 4.226 -14.800 461 HB3 SER 62 HB2 SER 62 0.017 4.221 -14.419 462 HG SER 62 HG SER 62 -1.290 3.747 -16.797 463 HA PRO 63 HA PRO 63 2.317 0.609 -12.191 464 HB2 PRO 63 HB2 PRO 63 4.576 1.324 -13.638 465 HB3 PRO 63 HB3 PRO 63 3.692 -0.201 -13.826 466 HG2 PRO 63 HG3 PRO 63 3.602 2.260 -15.482 467 HG3 PRO 63 HG2 PRO 63 3.476 0.561 -15.968 468 HD2 PRO 63 HD3 PRO 63 1.306 2.198 -15.811 469 HD3 PRO 63 HD2 PRO 63 1.210 0.451 -15.499 470 H GLU 64 H GLU 64 2.245 3.826 -13.574 471 HA GLU 64 HA GLU 64 4.261 5.051 -11.975 472 HB2 GLU 64 HB3 GLU 64 1.720 6.211 -13.125 473 HB3 GLU 64 HB2 GLU 64 3.029 7.166 -12.445 474 HG2 GLU 64 HG3 GLU 64 4.578 6.171 -14.102 475 HG3 GLU 64 HG2 GLU 64 3.224 5.300 -14.812 476 H HIS 65 H HIS 65 0.906 4.233 -11.303 477 HA HIS 65 HA HIS 65 0.664 5.798 -8.898 478 HB2 HIS 65 HB3 HIS 65 -1.295 4.887 -10.101 479 HB3 HIS 65 HB2 HIS 65 -0.781 3.251 -9.688 480 HD1 HIS 65 HD1 HIS 65 -1.476 6.504 -7.794 481 HD2 HIS 65 HD2 HIS 65 -1.959 2.383 -7.355 482 HE1 HIS 65 HE1 HIS 65 -2.663 6.150 -5.581 483 HE2 HIS 65 HE2 HIS 65 -2.958 3.647 -5.304 484 H PHE 66 H PHE 66 2.087 2.686 -9.611 485 HA PHE 66 HA PHE 66 2.374 2.103 -6.710 486 HB2 PHE 66 HB3 PHE 66 3.078 0.428 -9.141 487 HB3 PHE 66 HB2 PHE 66 3.167 -0.109 -7.463 488 HD1 PHE 66 HD1 PHE 66 1.088 -0.294 -6.091 489 HD2 PHE 66 HD2 PHE 66 0.979 0.570 -10.297 490 HE1 PHE 66 HE1 PHE 66 -1.321 -0.877 -6.148 491 HE2 PHE 66 HE2 PHE 66 -1.430 -0.015 -10.355 492 HZ PHE 66 HZ PHE 66 -2.580 -0.736 -8.280 493 H ARG 67 H ARG 67 3.947 3.970 -8.812 494 HA ARG 67 HA ARG 67 6.641 3.135 -8.835 495 HB2 ARG 67 HB3 ARG 67 5.790 5.060 -10.126 496 HB3 ARG 67 HB2 ARG 67 5.558 5.962 -8.634 497 HG2 ARG 67 HG3 ARG 67 7.642 6.685 -9.590 498 HG3 ARG 67 HG2 ARG 67 8.030 5.684 -8.198 499 HD2 ARG 67 HD3 ARG 67 8.642 3.831 -9.561 500 HD3 ARG 67 HD2 ARG 67 7.879 4.536 -10.988 501 HE ARG 67 HE ARG 67 9.894 5.683 -11.367 502 HH11 ARG 67 HH22 ARG 67 9.537 4.815 -8.048 503 HH12 ARG 67 HH21 ARG 67 11.073 5.460 -7.578 504 HH21 ARG 67 HH11 ARG 67 11.905 6.519 -10.772 505 HH22 ARG 67 HH12 ARG 67 12.417 6.418 -9.121 506 H SER 68 H SER 68 4.824 4.856 -6.305 507 HA SER 68 HA SER 68 7.070 4.228 -4.445 508 HB2 SER 68 HB3 SER 68 6.949 6.439 -3.448 509 HB3 SER 68 HB2 SER 68 7.216 6.621 -5.180 510 HG SER 68 HG SER 68 5.498 7.940 -4.175 511 H ILE 69 H ILE 69 6.392 4.056 -2.204 512 HA ILE 69 HA ILE 69 3.868 2.793 -1.834 513 HB ILE 69 HB ILE 69 5.720 4.051 0.210 514 HG12 ILE 69 HG13 ILE 69 5.479 1.174 -0.677 515 HG13 ILE 69 HG12 ILE 69 6.705 2.280 -1.276 516 HG21 ILE 69 HG21 ILE 69 4.623 2.357 1.711 517 HG22 ILE 69 HG22 ILE 69 3.442 2.088 0.432 518 HG23 ILE 69 HG23 ILE 69 3.566 3.671 1.199 519 HD11 ILE 69 HD11 ILE 69 7.917 2.171 0.642 520 HD12 ILE 69 HD12 ILE 69 7.001 0.694 0.941 521 HD13 ILE 69 HD13 ILE 69 6.475 2.218 1.657 522 H ARG 70 H ARG 70 4.943 6.131 -1.303 523 HA ARG 70 HA ARG 70 2.664 7.044 0.136 524 HB2 ARG 70 HB3 ARG 70 4.470 8.535 -1.791 525 HB3 ARG 70 HB2 ARG 70 3.312 9.304 -0.703 526 HG2 ARG 70 HG3 ARG 70 4.471 8.200 1.225 527 HG3 ARG 70 HG2 ARG 70 5.687 7.599 0.098 528 HD2 ARG 70 HD3 ARG 70 5.026 10.508 0.634 529 HD3 ARG 70 HD2 ARG 70 6.490 9.662 1.133 530 HE ARG 70 HE ARG 70 6.531 9.310 -1.575 531 HH11 ARG 70 HH22 ARG 70 5.982 12.020 0.483 532 HH12 ARG 70 HH21 ARG 70 6.633 13.171 -0.636 533 HH21 ARG 70 HH11 ARG 70 7.383 10.797 -3.050 534 HH22 ARG 70 HH12 ARG 70 7.426 12.478 -2.636 535 H SER 71 H SER 71 3.220 6.708 -3.361 536 HA SER 71 HA SER 71 0.921 8.110 -4.254 537 HB2 SER 71 HB3 SER 71 2.178 5.637 -5.476 538 HB3 SER 71 HB2 SER 71 1.143 6.793 -6.304 539 HG SER 71 HG SER 71 3.782 7.053 -5.397 540 H ILE 72 H ILE 72 1.320 4.719 -3.248 541 HA ILE 72 HA ILE 72 -1.326 3.865 -3.861 542 HB ILE 72 HB ILE 72 0.552 2.912 -1.675 543 HG12 ILE 72 HG13 ILE 72 0.124 1.852 -4.487 544 HG13 ILE 72 HG12 ILE 72 1.479 2.879 -4.013 545 HG21 ILE 72 HG21 ILE 72 -1.133 1.542 -1.108 546 HG22 ILE 72 HG22 ILE 72 -1.052 0.836 -2.722 547 HG23 ILE 72 HG23 ILE 72 -2.138 2.188 -2.403 548 HD11 ILE 72 HD11 ILE 72 0.859 0.063 -3.135 549 HD12 ILE 72 HD12 ILE 72 1.897 1.106 -2.164 550 HD13 ILE 72 HD13 ILE 72 2.355 0.700 -3.818 551 H ASP 73 H ASP 73 0.092 5.390 -0.991 552 HA ASP 73 HA ASP 73 -2.140 5.159 0.742 553 HB2 ASP 73 HB3 ASP 73 0.169 6.004 1.353 554 HB3 ASP 73 HB2 ASP 73 -0.269 7.536 0.596 555 H ALA 74 H ALA 74 -1.423 7.498 -1.820 556 HA ALA 74 HA ALA 74 -3.525 9.333 -1.258 557 HB1 ALA 74 HB1 ALA 74 -1.639 9.641 -2.935 558 HB2 ALA 74 HB2 ALA 74 -3.235 10.120 -3.512 559 HB3 ALA 74 HB3 ALA 74 -2.539 8.582 -4.022 560 H PHE 75 H PHE 75 -3.465 6.327 -3.149 561 HA PHE 75 HA PHE 75 -6.129 6.511 -4.168 562 HB2 PHE 75 HB3 PHE 75 -4.437 4.852 -4.942 563 HB3 PHE 75 HB2 PHE 75 -4.622 4.002 -3.412 564 HD1 PHE 75 HD1 PHE 75 -6.340 4.995 -6.538 565 HD2 PHE 75 HD2 PHE 75 -6.561 2.652 -2.944 566 HE1 PHE 75 HE1 PHE 75 -8.322 3.805 -7.435 567 HE2 PHE 75 HE2 PHE 75 -8.543 1.462 -3.841 568 HZ PHE 75 HZ PHE 75 -9.423 2.038 -6.087 569 H VAL 76 H VAL 76 -4.858 5.020 -1.189 570 HA VAL 76 HA VAL 76 -7.375 4.078 -0.226 571 HB VAL 76 HB VAL 76 -4.812 4.845 1.191 572 HG11 VAL 76 HG11 VAL 76 -6.550 5.056 2.820 573 HG12 VAL 76 HG12 VAL 76 -5.819 3.472 3.076 574 HG13 VAL 76 HG13 VAL 76 -7.363 3.605 2.235 575 HG21 VAL 76 HG21 VAL 76 -4.676 2.907 -0.328 576 HG22 VAL 76 HG22 VAL 76 -6.071 2.178 0.467 577 HG23 VAL 76 HG23 VAL 76 -4.560 2.384 1.353 578 H VAL 77 H VAL 77 -5.620 7.137 0.297 579 HA VAL 77 HA VAL 77 -7.426 8.266 2.177 580 HB VAL 77 HB VAL 77 -5.594 9.516 0.121 581 HG11 VAL 77 HG11 VAL 77 -7.601 10.702 1.938 582 HG12 VAL 77 HG12 VAL 77 -6.888 11.357 0.465 583 HG13 VAL 77 HG13 VAL 77 -6.005 11.447 1.989 584 HG21 VAL 77 HG21 VAL 77 -3.990 9.362 1.723 585 HG22 VAL 77 HG22 VAL 77 -5.056 8.181 2.483 586 HG23 VAL 77 HG23 VAL 77 -5.099 9.867 2.998 587 H GLY 78 H GLY 78 -7.374 8.338 -1.371 588 HA2 GLY 78 HA3 GLY 78 -9.553 10.138 -1.728 589 HA3 GLY 78 HA2 GLY 78 -9.027 8.946 -2.914 590 H ALA 79 H ALA 79 -9.514 6.668 -1.043 591 HA ALA 79 HA ALA 79 -12.458 6.579 -1.430 592 HB1 ALA 79 HB1 ALA 79 -12.275 4.227 -1.523 593 HB2 ALA 79 HB2 ALA 79 -10.714 4.233 -0.703 594 HB3 ALA 79 HB3 ALA 79 -10.838 4.800 -2.368 595 H THR 80 H THR 80 -10.032 5.666 1.022 596 HA THR 80 HA THR 80 -12.138 6.135 3.097 597 HB THR 80 HB THR 80 -11.366 4.260 4.355 598 HG1 THR 80 HG1 THR 80 -9.167 4.485 2.637 599 HG21 THR 80 HG21 THR 80 -11.100 3.150 1.581 600 HG22 THR 80 HG22 THR 80 -12.629 3.873 2.081 601 HG23 THR 80 HG23 THR 80 -11.975 2.495 2.965 602 H THR 81 H THR 81 -11.277 6.978 5.129 603 HA THR 81 HA THR 81 -8.460 7.912 4.989 604 HB THR 81 HB THR 81 -9.596 9.821 4.180 605 HG1 THR 81 HG1 THR 81 -8.507 9.820 6.559 606 HG21 THR 81 HG21 THR 81 -11.594 10.667 5.709 607 HG22 THR 81 HG22 THR 81 -11.701 8.956 6.122 608 HG23 THR 81 HG23 THR 81 -11.866 9.469 4.443 609 HA PRO 82 HA PRO 82 -9.415 6.073 9.129 610 HB2 PRO 82 HB2 PRO 82 -6.501 5.603 9.075 611 HB3 PRO 82 HB3 PRO 82 -7.818 4.451 9.351 612 HG2 PRO 82 HG3 PRO 82 -6.370 4.470 7.094 613 HG3 PRO 82 HG2 PRO 82 -8.082 4.017 7.125 614 HD2 PRO 82 HD3 PRO 82 -6.827 6.573 6.196 615 HD3 PRO 82 HD2 PRO 82 -8.246 5.712 5.557 616 HA PRO 83 HA PRO 83 -7.830 9.163 11.886 617 HB2 PRO 83 HB2 PRO 83 -5.926 7.385 13.292 618 HB3 PRO 83 HB3 PRO 83 -7.344 8.239 13.924 619 HG2 PRO 83 HG3 PRO 83 -7.316 5.583 13.571 620 HG3 PRO 83 HG2 PRO 83 -8.782 6.555 13.357 621 HD2 PRO 83 HD3 PRO 83 -6.995 5.357 11.276 622 HD3 PRO 83 HD2 PRO 83 -8.759 5.576 11.257 623 H VAL 84 H VAL 84 -6.084 10.672 12.135 624 HA VAL 84 HA VAL 84 -3.888 10.245 10.212 625 HB VAL 84 HB VAL 84 -3.464 12.591 10.423 626 HG11 VAL 84 HG11 VAL 84 -6.361 12.857 10.829 627 HG12 VAL 84 HG12 VAL 84 -5.930 11.586 9.685 628 HG13 VAL 84 HG13 VAL 84 -5.385 13.241 9.411 629 HG21 VAL 84 HG21 VAL 84 -4.818 13.879 12.212 630 HG22 VAL 84 HG22 VAL 84 -3.427 12.948 12.767 631 HG23 VAL 84 HG23 VAL 84 -5.056 12.306 12.975 632 H GLU 85 H GLU 85 -1.889 9.630 10.815 633 HA GLU 85 HA GLU 85 -0.990 10.153 13.599 634 HB2 GLU 85 HB3 GLU 85 -0.739 7.498 12.150 635 HB3 GLU 85 HB2 GLU 85 -0.045 7.871 13.729 636 HG2 GLU 85 HG3 GLU 85 -2.331 8.334 14.595 637 HG3 GLU 85 HG2 GLU 85 -2.996 7.865 13.030 638 H ALA 86 H ALA 86 1.386 10.166 13.774 639 HA ALA 86 HA ALA 86 2.633 11.311 11.416 640 HB1 ALA 86 HB1 ALA 86 4.371 11.880 12.822 641 HB2 ALA 86 HB2 ALA 86 4.298 10.353 13.701 642 HB3 ALA 86 HB3 ALA 86 3.117 11.620 14.034 643 H LYS 87 H LYS 87 3.650 10.202 9.812 644 HA LYS 87 HA LYS 87 3.743 7.360 9.721 645 HB2 LYS 87 HB3 LYS 87 3.856 8.876 7.725 646 HB3 LYS 87 HB2 LYS 87 5.512 9.282 8.181 647 HG2 LYS 87 HG3 LYS 87 6.124 6.881 8.036 648 HG3 LYS 87 HG2 LYS 87 4.478 6.507 7.523 649 HD2 LYS 87 HD3 LYS 87 4.789 8.069 5.584 650 HD3 LYS 87 HD2 LYS 87 6.477 8.256 6.062 651 HE2 LYS 87 HE3 LYS 87 5.103 5.683 5.233 652 HE3 LYS 87 HE2 LYS 87 6.355 6.547 4.340 653 HZ1 LYS 87 HZ1 LYS 87 6.614 5.146 6.938 654 HZ2 LYS 87 HZ2 LYS 87 7.790 6.221 6.356 655 HZ3 LYS 87 HZ3 LYS 87 7.426 4.809 5.484 656 H LEU 88 H LEU 88 6.173 9.750 10.695 657 HA LEU 88 HA LEU 88 8.382 7.970 10.950 658 HB2 LEU 88 HB3 LEU 88 7.757 10.411 12.642 659 HB3 LEU 88 HB2 LEU 88 9.341 9.664 12.436 660 HG LEU 88 HG LEU 88 7.675 10.957 10.256 661 HD11 LEU 88 HD11 LEU 88 9.975 11.809 11.950 662 HD12 LEU 88 HD12 LEU 88 8.663 12.772 11.270 663 HD13 LEU 88 HD13 LEU 88 10.014 12.277 10.251 664 HD21 LEU 88 HD21 LEU 88 8.810 9.271 9.110 665 HD22 LEU 88 HD22 LEU 88 10.169 9.282 10.235 666 HD23 LEU 88 HD23 LEU 88 9.994 10.577 9.050 667 H GLN 89 H GLN 89 5.696 8.701 13.130 668 HA GLN 89 HA GLN 89 5.059 7.701 15.157 669 HB2 GLN 89 HB3 GLN 89 6.554 5.393 13.876 670 HB3 GLN 89 HB2 GLN 89 5.520 5.248 15.297 671 HG2 GLN 89 HG3 GLN 89 3.597 6.066 14.006 672 HG3 GLN 89 HG2 GLN 89 4.622 6.265 12.585 673 HE21 GLN 89 HE22 GLN 89 2.354 4.508 12.550 674 HE22 GLN 89 HE21 GLN 89 2.918 2.913 12.411 675 H1 PN7 101 3HO SAT 38 0.810 -3.975 -11.989 676 H2 PN7 101 1H1 SAT 38 -1.421 -4.475 -12.172 677 H3 PN7 101 2H1 SAT 38 -2.625 -4.038 -13.385 678 H5 PN7 101 3HE1 SAT 38 -0.610 -1.065 -13.075 679 H6 PN7 101 1HE1 SAT 38 0.136 -2.188 -11.939 680 H7 PN7 101 2HE1 SAT 38 -1.621 -2.077 -12.043 681 H8 PN7 101 2HE2 SAT 38 -0.649 -1.702 -15.287 682 H9 PN7 101 3HE2 SAT 38 -2.272 -2.226 -14.840 683 H10 PN7 101 1HE2 SAT 38 -1.218 -3.304 -15.756 684 H11 PN7 101 3H SAT 38 0.751 -4.226 -14.803 685 H12 PN7 101 5H SAT 38 2.417 -1.799 -12.322 686 H13 PN7 101 2H6 SAT 38 4.583 -2.679 -12.511 687 H14 PN7 101 1H6 SAT 38 4.399 -2.405 -14.243 688 H15 PN7 101 1H7 SAT 38 4.784 -4.746 -14.021 689 H16 PN7 101 2H7 SAT 38 3.047 -4.588 -14.283 690 H17 PN7 101 9H SAT 38 2.003 -6.069 -12.927 691 H18 PN7 101 2H10 SAT 38 1.964 -7.045 -10.555 692 H19 PN7 101 1H10 SAT 38 3.723 -7.018 -10.674 693 H20 PN7 101 1H11 SAT 38 3.716 -8.647 -12.440 694 H21 PN7 101 2H11 SAT 38 1.966 -8.533 -12.618 695 H22 PN7 101 2HS1 SAT 38 1.690 -9.708 -10.303 Start of MODEL 16 1 H1 MET 1 H1 MET 1 1.818 14.748 2.164 2 H2 MET 1 H2 MET 1 1.461 14.327 0.557 3 H3 MET 1 H3 MET 1 3.063 14.259 1.121 4 HA MET 1 HA MET 1 1.477 12.135 0.957 5 HB2 MET 1 HB3 MET 1 3.723 12.814 2.850 6 HB3 MET 1 HB2 MET 1 3.004 11.203 2.822 7 HG2 MET 1 HG3 MET 1 3.461 11.068 0.385 8 HG3 MET 1 HG2 MET 1 4.251 12.643 0.465 9 HE1 MET 1 HE1 MET 1 5.850 12.222 3.541 10 HE2 MET 1 HE2 MET 1 5.866 13.248 2.109 11 HE3 MET 1 HE3 MET 1 7.286 12.278 2.523 12 H GLN 2 H GLN 2 -0.643 12.267 1.697 13 HA GLN 2 HA GLN 2 -1.071 12.826 4.586 14 HB2 GLN 2 HB3 GLN 2 -2.543 13.932 2.879 15 HB3 GLN 2 HB2 GLN 2 -3.120 12.335 2.402 16 HG2 GLN 2 HG3 GLN 2 -3.938 11.931 4.687 17 HG3 GLN 2 HG2 GLN 2 -3.340 13.514 5.187 18 HE21 GLN 2 HE22 GLN 2 -6.040 13.145 5.540 19 HE22 GLN 2 HE21 GLN 2 -6.928 13.982 4.360 20 H HIS 3 H HIS 3 -1.031 11.077 5.915 21 HA HIS 3 HA HIS 3 -1.209 8.849 6.641 22 HB2 HIS 3 HB3 HIS 3 -3.337 8.644 4.491 23 HB3 HIS 3 HB2 HIS 3 -3.197 7.663 5.950 24 HD1 HIS 3 HD1 HIS 3 -5.776 9.274 5.484 25 HD2 HIS 3 HD2 HIS 3 -2.508 10.747 7.618 26 HE1 HIS 3 HE1 HIS 3 -6.667 11.114 6.984 27 HE2 HIS 3 HE2 HIS 3 -4.686 12.015 8.286 28 H ALA 4 H ALA 4 0.179 9.716 3.908 29 HA ALA 4 HA ALA 4 0.272 7.366 2.278 30 HB1 ALA 4 HB1 ALA 4 1.732 8.567 1.016 31 HB2 ALA 4 HB2 ALA 4 2.742 8.972 2.403 32 HB3 ALA 4 HB3 ALA 4 1.281 9.904 2.074 33 H SER 5 H SER 5 2.053 8.347 5.156 34 HA SER 5 HA SER 5 4.154 6.435 5.014 35 HB2 SER 5 HB3 SER 5 4.473 6.852 7.368 36 HB3 SER 5 HB2 SER 5 4.008 8.374 6.616 37 HG SER 5 HG SER 5 2.881 7.626 8.635 38 H VAL 6 H VAL 6 0.806 6.124 6.081 39 HA VAL 6 HA VAL 6 1.076 3.625 7.442 40 HB VAL 6 HB VAL 6 -1.252 4.823 5.936 41 HG11 VAL 6 HG11 VAL 6 -2.587 3.134 7.296 42 HG12 VAL 6 HG12 VAL 6 -1.055 2.328 7.636 43 HG13 VAL 6 HG13 VAL 6 -1.635 2.455 5.975 44 HG21 VAL 6 HG21 VAL 6 -1.679 4.591 8.735 45 HG22 VAL 6 HG22 VAL 6 -1.468 6.071 7.799 46 HG23 VAL 6 HG23 VAL 6 -0.069 5.274 8.518 47 H ILE 7 H ILE 7 0.454 4.410 4.043 48 HA ILE 7 HA ILE 7 0.081 1.739 3.128 49 HB ILE 7 HB ILE 7 1.262 4.109 1.652 50 HG12 ILE 7 HG13 ILE 7 -1.593 3.090 1.722 51 HG13 ILE 7 HG12 ILE 7 -1.013 4.437 2.701 52 HG21 ILE 7 HG21 ILE 7 -0.016 1.540 0.664 53 HG22 ILE 7 HG22 ILE 7 1.684 1.982 0.502 54 HG23 ILE 7 HG23 ILE 7 0.448 2.899 -0.361 55 HD11 ILE 7 HD11 ILE 7 -0.358 4.588 -0.183 56 HD12 ILE 7 HD12 ILE 7 -0.897 5.855 0.920 57 HD13 ILE 7 HD13 ILE 7 -2.069 4.739 0.217 58 H ALA 8 H ALA 8 3.029 3.702 3.479 59 HA ALA 8 HA ALA 8 4.804 1.791 2.305 60 HB1 ALA 8 HB1 ALA 8 6.396 3.035 4.122 61 HB2 ALA 8 HB2 ALA 8 5.067 4.191 4.022 62 HB3 ALA 8 HB3 ALA 8 5.959 3.745 2.568 63 H GLN 9 H GLN 9 3.961 2.379 5.727 64 HA GLN 9 HA GLN 9 5.487 0.119 6.661 65 HB2 GLN 9 HB3 GLN 9 4.836 0.749 8.767 66 HB3 GLN 9 HB2 GLN 9 4.443 2.245 7.927 67 HG2 GLN 9 HG3 GLN 9 2.491 1.782 9.150 68 HG3 GLN 9 HG2 GLN 9 2.119 1.169 7.544 69 HE21 GLN 9 HE22 GLN 9 0.860 -0.685 7.943 70 HE22 GLN 9 HE21 GLN 9 1.322 -1.950 8.976 71 H PHE 10 H PHE 10 2.163 0.566 5.604 72 HA PHE 10 HA PHE 10 1.246 -2.034 6.481 73 HB2 PHE 10 HB3 PHE 10 -0.244 -0.072 5.969 74 HB3 PHE 10 HB2 PHE 10 0.125 -0.305 4.261 75 HD1 PHE 10 HD2 PHE 10 -1.470 -1.818 7.239 76 HD2 PHE 10 HD1 PHE 10 -0.822 -2.131 3.005 77 HE1 PHE 10 HE2 PHE 10 -3.226 -3.562 7.100 78 HE2 PHE 10 HE1 PHE 10 -2.579 -3.875 2.865 79 HZ PHE 10 HZ PHE 10 -3.781 -4.589 4.913 80 H VAL 11 H VAL 11 2.173 -0.751 3.280 81 HA VAL 11 HA VAL 11 1.969 -3.295 1.954 82 HB VAL 11 HB VAL 11 2.022 -0.925 0.920 83 HG11 VAL 11 HG11 VAL 11 4.995 -1.472 0.883 84 HG12 VAL 11 HG12 VAL 11 4.245 -0.415 2.080 85 HG13 VAL 11 HG13 VAL 11 4.154 -0.011 0.367 86 HG21 VAL 11 HG21 VAL 11 3.583 -3.272 -0.181 87 HG22 VAL 11 HG22 VAL 11 3.209 -1.841 -1.140 88 HG23 VAL 11 HG23 VAL 11 1.904 -2.846 -0.509 89 H VAL 12 H VAL 12 4.713 -1.546 3.406 90 HA VAL 12 HA VAL 12 6.718 -3.427 2.606 91 HB VAL 12 HB VAL 12 6.652 -1.572 4.993 92 HG11 VAL 12 HG11 VAL 12 9.090 -1.822 4.997 93 HG12 VAL 12 HG12 VAL 12 8.994 -2.932 3.630 94 HG13 VAL 12 HG13 VAL 12 8.329 -3.398 5.192 95 HG21 VAL 12 HG21 VAL 12 6.520 -0.794 2.435 96 HG22 VAL 12 HG22 VAL 12 8.259 -1.070 2.528 97 HG23 VAL 12 HG23 VAL 12 7.489 0.084 3.617 98 H GLU 13 H GLU 13 4.552 -3.286 5.393 99 HA GLU 13 HA GLU 13 5.739 -5.267 7.011 100 HB2 GLU 13 HB3 GLU 13 3.776 -3.875 7.667 101 HB3 GLU 13 HB2 GLU 13 2.779 -4.846 6.592 102 HG2 GLU 13 HG3 GLU 13 3.435 -6.881 7.863 103 HG3 GLU 13 HG2 GLU 13 4.328 -5.852 8.980 104 H GLU 14 H GLU 14 3.792 -5.604 4.101 105 HA GLU 14 HA GLU 14 3.269 -8.414 4.358 106 HB2 GLU 14 HB3 GLU 14 3.492 -6.660 1.894 107 HB3 GLU 14 HB2 GLU 14 2.884 -8.315 1.886 108 HG2 GLU 14 HG3 GLU 14 1.710 -6.043 3.517 109 HG3 GLU 14 HG2 GLU 14 1.042 -6.649 2.002 110 H PHE 15 H PHE 15 6.036 -6.591 3.171 111 HA PHE 15 HA PHE 15 7.528 -9.158 2.988 112 HB2 PHE 15 HB3 PHE 15 8.498 -8.567 0.848 113 HB3 PHE 15 HB2 PHE 15 6.743 -8.490 0.692 114 HD1 PHE 15 HD1 PHE 15 5.593 -6.230 0.918 115 HD2 PHE 15 HD2 PHE 15 9.844 -6.648 0.466 116 HE1 PHE 15 HE1 PHE 15 5.754 -3.854 0.226 117 HE2 PHE 15 HE2 PHE 15 10.004 -4.271 -0.222 118 HZ PHE 15 HZ PHE 15 7.959 -2.874 -0.342 119 H LEU 16 H LEU 16 7.684 -7.321 5.108 120 HA LEU 16 HA LEU 16 9.898 -5.503 4.619 121 HB2 LEU 16 HB3 LEU 16 9.468 -4.624 6.678 122 HB3 LEU 16 HB2 LEU 16 7.925 -5.403 6.411 123 HG LEU 16 HG LEU 16 10.243 -6.571 7.992 124 HD11 LEU 16 HD11 LEU 16 9.370 -4.984 9.420 125 HD12 LEU 16 HD12 LEU 16 8.311 -6.345 9.785 126 HD13 LEU 16 HD13 LEU 16 7.762 -5.066 8.702 127 HD21 LEU 16 HD21 LEU 16 9.110 -8.543 8.080 128 HD22 LEU 16 HD22 LEU 16 8.210 -7.950 6.688 129 HD23 LEU 16 HD23 LEU 16 7.563 -7.730 8.308 130 HA PRO 17 HA PRO 17 12.954 -8.674 5.479 131 HB2 PRO 17 HB2 PRO 17 15.180 -7.118 5.333 132 HB3 PRO 17 HB3 PRO 17 14.257 -7.571 3.890 133 HG2 PRO 17 HG3 PRO 17 14.232 -5.019 5.422 134 HG3 PRO 17 HG2 PRO 17 14.201 -5.284 3.672 135 HD2 PRO 17 HD3 PRO 17 11.964 -4.711 5.162 136 HD3 PRO 17 HD2 PRO 17 11.930 -5.616 3.633 137 H ASP 18 H ASP 18 15.384 -7.794 6.928 138 HA ASP 18 HA ASP 18 14.297 -7.896 9.632 139 HB2 ASP 18 HB3 ASP 18 16.643 -7.988 10.320 140 HB3 ASP 18 HB2 ASP 18 16.381 -9.101 8.982 141 H VAL 19 H VAL 19 14.198 -5.471 7.614 142 HA VAL 19 HA VAL 19 15.193 -3.411 9.546 143 HB VAL 19 HB VAL 19 14.608 -3.094 6.588 144 HG11 VAL 19 HG11 VAL 19 16.207 -1.059 7.128 145 HG12 VAL 19 HG12 VAL 19 15.620 -1.303 8.774 146 HG13 VAL 19 HG13 VAL 19 14.481 -0.947 7.475 147 HG21 VAL 19 HG21 VAL 19 16.505 -4.475 6.609 148 HG22 VAL 19 HG22 VAL 19 17.110 -3.786 8.116 149 HG23 VAL 19 HG23 VAL 19 17.223 -2.865 6.616 150 H ALA 20 H ALA 20 13.709 -1.957 10.364 151 HA ALA 20 HA ALA 20 10.894 -2.509 10.001 152 HB1 ALA 20 HB1 ALA 20 12.080 -0.023 11.246 153 HB2 ALA 20 HB2 ALA 20 12.007 -1.566 12.098 154 HB3 ALA 20 HB3 ALA 20 10.518 -0.766 11.594 155 HA PRO 21 HA PRO 21 10.144 -0.111 6.285 156 HB2 PRO 21 HB2 PRO 21 7.715 0.864 7.714 157 HB3 PRO 21 HB3 PRO 21 7.860 0.136 6.104 158 HG2 PRO 21 HG3 PRO 21 6.902 -1.216 8.210 159 HG3 PRO 21 HG2 PRO 21 7.822 -1.993 6.913 160 HD2 PRO 21 HD3 PRO 21 8.645 -1.428 9.704 161 HD3 PRO 21 HD2 PRO 21 9.249 -2.648 8.559 162 H ALA 22 H ALA 22 9.858 1.374 9.474 163 HA ALA 22 HA ALA 22 9.876 4.111 8.588 164 HB1 ALA 22 HB1 ALA 22 10.268 2.665 11.151 165 HB2 ALA 22 HB2 ALA 22 9.277 4.081 10.797 166 HB3 ALA 22 HB3 ALA 22 11.014 4.260 11.046 167 H ASP 23 H ASP 23 12.331 1.694 8.876 168 HA ASP 23 HA ASP 23 14.497 3.717 8.697 169 HB2 ASP 23 HB3 ASP 23 14.557 0.705 9.055 170 HB3 ASP 23 HB2 ASP 23 15.998 1.715 8.925 171 H VAL 24 H VAL 24 12.435 2.317 6.623 172 HA VAL 24 HA VAL 24 14.480 1.856 4.500 173 HB VAL 24 HB VAL 24 11.524 1.168 4.499 174 HG11 VAL 24 HG11 VAL 24 12.367 1.434 2.250 175 HG12 VAL 24 HG12 VAL 24 12.254 -0.296 2.575 176 HG13 VAL 24 HG13 VAL 24 13.821 0.511 2.634 177 HG21 VAL 24 HG21 VAL 24 12.769 -0.128 6.191 178 HG22 VAL 24 HG22 VAL 24 13.963 -0.577 4.973 179 HG23 VAL 24 HG23 VAL 24 12.303 -1.158 4.837 180 H ASP 25 H ASP 25 14.533 3.235 2.737 181 HA ASP 25 HA ASP 25 13.281 5.801 2.965 182 HB2 ASP 25 HB3 ASP 25 14.582 4.430 0.594 183 HB3 ASP 25 HB2 ASP 25 14.096 6.125 0.612 184 H VAL 26 H VAL 26 11.035 5.675 3.055 185 HA VAL 26 HA VAL 26 9.397 4.000 1.431 186 HB VAL 26 HB VAL 26 7.558 5.426 2.100 187 HG11 VAL 26 HG11 VAL 26 9.718 5.217 4.217 188 HG12 VAL 26 HG12 VAL 26 8.431 4.056 3.893 189 HG13 VAL 26 HG13 VAL 26 8.041 5.639 4.566 190 HG21 VAL 26 HG21 VAL 26 7.958 7.652 1.907 191 HG22 VAL 26 HG22 VAL 26 9.695 7.443 2.128 192 HG23 VAL 26 HG23 VAL 26 8.632 7.535 3.532 193 H ASP 27 H ASP 27 11.501 6.218 0.314 194 HA ASP 27 HA ASP 27 9.748 7.352 -1.787 195 HB2 ASP 27 HB3 ASP 27 12.694 7.737 -1.165 196 HB3 ASP 27 HB2 ASP 27 11.846 8.538 -2.489 197 H LEU 28 H LEU 28 10.961 4.447 -1.338 198 HA LEU 28 HA LEU 28 12.308 4.055 -3.934 199 HB2 LEU 28 HB3 LEU 28 13.049 2.856 -1.862 200 HB3 LEU 28 HB2 LEU 28 11.504 2.012 -1.843 201 HG LEU 28 HG LEU 28 12.170 1.423 -4.345 202 HD11 LEU 28 HD11 LEU 28 14.572 1.155 -4.628 203 HD12 LEU 28 HD12 LEU 28 14.864 1.778 -3.004 204 HD13 LEU 28 HD13 LEU 28 14.222 2.842 -4.255 205 HD21 LEU 28 HD21 LEU 28 13.052 0.171 -1.758 206 HD22 LEU 28 HD22 LEU 28 13.538 -0.558 -3.289 207 HD23 LEU 28 HD23 LEU 28 11.826 -0.384 -2.899 208 H ASP 29 H ASP 29 11.301 3.226 -5.727 209 HA ASP 29 HA ASP 29 8.435 3.098 -5.825 210 HB2 ASP 29 HB3 ASP 29 10.564 2.027 -7.706 211 HB3 ASP 29 HB2 ASP 29 8.840 2.015 -8.075 212 H LEU 30 H LEU 30 7.192 1.464 -5.016 213 HA LEU 30 HA LEU 30 8.426 -0.988 -4.075 214 HB2 LEU 30 HB3 LEU 30 6.117 -1.634 -3.448 215 HB3 LEU 30 HB2 LEU 30 6.505 -0.006 -2.892 216 HG LEU 30 HG LEU 30 5.443 0.101 -5.573 217 HD11 LEU 30 HD11 LEU 30 3.094 -0.601 -4.877 218 HD12 LEU 30 HD12 LEU 30 3.840 -1.405 -3.495 219 HD13 LEU 30 HD13 LEU 30 4.235 -1.921 -5.135 220 HD21 LEU 30 HD21 LEU 30 3.986 1.737 -4.580 221 HD22 LEU 30 HD22 LEU 30 5.549 1.892 -3.777 222 HD23 LEU 30 HD23 LEU 30 4.223 1.055 -2.971 223 H VAL 31 H VAL 31 7.882 -0.079 -7.127 224 HA VAL 31 HA VAL 31 6.344 -2.101 -8.352 225 HB VAL 31 HB VAL 31 7.460 -0.057 -9.445 226 HG11 VAL 31 HG11 VAL 31 9.687 -0.269 -10.241 227 HG12 VAL 31 HG12 VAL 31 9.735 -1.996 -9.885 228 HG13 VAL 31 HG13 VAL 31 9.758 -0.823 -8.568 229 HG21 VAL 31 HG21 VAL 31 6.953 -2.745 -10.502 230 HG22 VAL 31 HG22 VAL 31 8.084 -1.823 -11.492 231 HG23 VAL 31 HG23 VAL 31 6.478 -1.177 -11.154 232 H ASP 32 H ASP 32 9.721 -2.154 -7.283 233 HA ASP 32 HA ASP 32 10.466 -4.667 -8.380 234 HB2 ASP 32 HB3 ASP 32 11.269 -3.368 -5.755 235 HB3 ASP 32 HB2 ASP 32 12.055 -4.795 -6.430 236 H ASN 33 H ASN 33 8.645 -3.793 -5.508 237 HA ASN 33 HA ASN 33 8.324 -6.585 -4.657 238 HB2 ASN 33 HB3 ASN 33 6.987 -4.067 -3.647 239 HB3 ASN 33 HB2 ASN 33 6.968 -5.640 -2.853 240 HD21 ASN 33 HD22 ASN 33 8.360 -2.772 -2.435 241 HD22 ASN 33 HD21 ASN 33 9.904 -3.224 -1.896 242 H GLY 34 H GLY 34 7.289 -5.235 -7.255 243 HA2 GLY 34 HA3 GLY 34 4.558 -4.976 -7.431 244 HA3 GLY 34 HA2 GLY 34 5.497 -5.789 -8.683 245 H VAL 35 H VAL 35 6.220 -7.751 -6.322 246 HA VAL 35 HA VAL 35 4.534 -9.875 -7.085 247 HB VAL 35 HB VAL 35 5.917 -9.327 -4.441 248 HG11 VAL 35 HG11 VAL 35 5.554 -12.054 -4.607 249 HG12 VAL 35 HG12 VAL 35 4.024 -11.436 -5.229 250 HG13 VAL 35 HG13 VAL 35 4.578 -10.965 -3.622 251 HG21 VAL 35 HG21 VAL 35 7.710 -10.492 -5.313 252 HG22 VAL 35 HG22 VAL 35 7.064 -9.825 -6.812 253 HG23 VAL 35 HG23 VAL 35 6.692 -11.487 -6.354 254 H ILE 36 H ILE 36 4.091 -7.414 -4.581 255 HA ILE 36 HA ILE 36 1.629 -8.503 -3.528 256 HB ILE 36 HB ILE 36 3.286 -6.714 -2.537 257 HG12 ILE 36 HG13 ILE 36 0.266 -6.662 -2.341 258 HG13 ILE 36 HG12 ILE 36 1.405 -7.486 -1.280 259 HG21 ILE 36 HG21 ILE 36 1.245 -4.861 -3.759 260 HG22 ILE 36 HG22 ILE 36 2.747 -5.230 -4.607 261 HG23 ILE 36 HG23 ILE 36 2.797 -4.459 -3.022 262 HD11 ILE 36 HD11 ILE 36 0.958 -5.587 -0.020 263 HD12 ILE 36 HD12 ILE 36 0.744 -4.571 -1.445 264 HD13 ILE 36 HD13 ILE 36 2.364 -5.047 -0.935 265 H ASP 37 H ASP 37 2.419 -6.480 -6.243 266 HA ASP 37 HA ASP 37 -0.030 -5.121 -6.606 267 HB2 ASP 37 HB3 ASP 37 1.912 -6.137 -8.694 268 HB3 ASP 37 HB2 ASP 37 0.592 -5.018 -9.021 269 H SER 38 H SER 38 0.773 -8.482 -7.337 270 HA SER 38 HA SER 38 -1.943 -8.766 -8.553 271 HB2 SER 38 2HB SER 38 0.568 -10.410 -8.880 272 HB3 SER 38 1HB SER 38 -1.004 -10.916 -9.491 273 H LEU 39 H LEU 39 0.295 -10.920 -6.757 274 HA LEU 39 HA LEU 39 -1.867 -12.507 -5.736 275 HB2 LEU 39 HB3 LEU 39 1.018 -12.252 -4.908 276 HB3 LEU 39 HB2 LEU 39 -0.087 -13.392 -4.154 277 HG LEU 39 HG LEU 39 -0.575 -14.115 -6.635 278 HD11 LEU 39 HD11 LEU 39 1.531 -13.926 -8.007 279 HD12 LEU 39 HD12 LEU 39 2.130 -12.765 -6.824 280 HD13 LEU 39 HD13 LEU 39 0.688 -12.397 -7.769 281 HD21 LEU 39 HD21 LEU 39 1.208 -15.791 -6.457 282 HD22 LEU 39 HD22 LEU 39 0.476 -15.513 -4.877 283 HD23 LEU 39 HD23 LEU 39 2.041 -14.796 -5.262 284 H GLY 40 H GLY 40 0.197 -10.070 -4.153 285 HA2 GLY 40 HA3 GLY 40 -1.274 -10.168 -1.673 286 HA3 GLY 40 HA2 GLY 40 -0.139 -8.906 -2.142 287 H LEU 41 H LEU 41 -1.453 -8.139 -4.560 288 HA LEU 41 HA LEU 41 -3.267 -6.191 -3.582 289 HB2 LEU 41 HB3 LEU 41 -2.041 -6.096 -5.769 290 HB3 LEU 41 HB2 LEU 41 -3.154 -7.311 -6.395 291 HG LEU 41 HG LEU 41 -4.998 -5.636 -5.540 292 HD11 LEU 41 HD11 LEU 41 -3.532 -4.077 -4.412 293 HD12 LEU 41 HD12 LEU 41 -4.201 -3.271 -5.830 294 HD13 LEU 41 HD13 LEU 41 -2.548 -3.886 -5.863 295 HD21 LEU 41 HD21 LEU 41 -3.312 -5.090 -8.003 296 HD22 LEU 41 HD22 LEU 41 -4.972 -4.548 -7.758 297 HD23 LEU 41 HD23 LEU 41 -4.619 -6.270 -7.897 298 H LEU 42 H LEU 42 -3.863 -9.368 -5.068 299 HA LEU 42 HA LEU 42 -6.705 -9.153 -5.173 300 HB2 LEU 42 HB3 LEU 42 -5.333 -10.982 -6.238 301 HB3 LEU 42 HB2 LEU 42 -5.104 -11.671 -4.636 302 HG LEU 42 HG LEU 42 -7.724 -11.522 -4.504 303 HD11 LEU 42 HD11 LEU 42 -8.873 -11.255 -6.456 304 HD12 LEU 42 HD12 LEU 42 -7.639 -12.081 -7.409 305 HD13 LEU 42 HD13 LEU 42 -7.416 -10.394 -6.950 306 HD21 LEU 42 HD21 LEU 42 -6.560 -13.637 -4.414 307 HD22 LEU 42 HD22 LEU 42 -6.160 -13.548 -6.130 308 HD23 LEU 42 HD23 LEU 42 -7.832 -13.793 -5.626 309 H LYS 43 H LYS 43 -4.521 -10.332 -2.621 310 HA LYS 43 HA LYS 43 -6.612 -10.985 -0.757 311 HB2 LYS 43 HB3 LYS 43 -3.704 -10.284 -0.322 312 HB3 LYS 43 HB2 LYS 43 -4.768 -10.933 0.920 313 HG2 LYS 43 HG3 LYS 43 -5.187 -12.920 -0.535 314 HG3 LYS 43 HG2 LYS 43 -4.005 -12.286 -1.682 315 HD2 LYS 43 HD3 LYS 43 -2.293 -12.303 0.140 316 HD3 LYS 43 HD2 LYS 43 -3.478 -13.065 1.201 317 HE2 LYS 43 HE3 LYS 43 -3.531 -14.588 -1.156 318 HE3 LYS 43 HE2 LYS 43 -1.823 -14.274 -0.853 319 HZ1 LYS 43 HZ1 LYS 43 -3.115 -16.251 0.299 320 HZ2 LYS 43 HZ2 LYS 43 -3.469 -15.039 1.431 321 HZ3 LYS 43 HZ3 LYS 43 -1.852 -15.425 1.079 322 H VAL 44 H VAL 44 -4.776 -8.053 -1.449 323 HA VAL 44 HA VAL 44 -5.534 -6.538 0.836 324 HB VAL 44 HB VAL 44 -4.856 -5.688 -1.988 325 HG11 VAL 44 HG11 VAL 44 -4.313 -3.547 -0.343 326 HG12 VAL 44 HG12 VAL 44 -5.827 -4.154 0.328 327 HG13 VAL 44 HG13 VAL 44 -5.739 -3.691 -1.371 328 HG21 VAL 44 HG21 VAL 44 -3.278 -6.809 -0.043 329 HG22 VAL 44 HG22 VAL 44 -3.078 -5.089 0.292 330 HG23 VAL 44 HG23 VAL 44 -2.684 -5.728 -1.304 331 H ILE 45 H ILE 45 -7.105 -6.826 -2.354 332 HA ILE 45 HA ILE 45 -9.194 -4.962 -1.856 333 HB ILE 45 HB ILE 45 -8.745 -7.229 -3.736 334 HG12 ILE 45 HG13 ILE 45 -9.130 -5.508 -5.382 335 HG13 ILE 45 HG12 ILE 45 -9.814 -4.426 -4.170 336 HG21 ILE 45 HG21 ILE 45 -10.981 -7.785 -3.174 337 HG22 ILE 45 HG22 ILE 45 -11.117 -6.787 -4.621 338 HG23 ILE 45 HG23 ILE 45 -11.453 -6.091 -3.036 339 HD11 ILE 45 HD11 ILE 45 -7.750 -3.900 -3.271 340 HD12 ILE 45 HD12 ILE 45 -7.276 -4.197 -4.943 341 HD13 ILE 45 HD13 ILE 45 -7.042 -5.449 -3.725 342 H ALA 46 H ALA 46 -9.039 -8.479 -1.295 343 HA ALA 46 HA ALA 46 -11.713 -8.728 -0.292 344 HB1 ALA 46 HB1 ALA 46 -11.062 -10.877 -0.459 345 HB2 ALA 46 HB2 ALA 46 -10.102 -10.650 1.003 346 HB3 ALA 46 HB3 ALA 46 -9.370 -10.394 -0.581 347 H TRP 47 H TRP 47 -8.595 -8.209 1.363 348 HA TRP 47 HA TRP 47 -9.788 -8.165 4.003 349 HB2 TRP 47 HB3 TRP 47 -7.541 -8.631 4.181 350 HB3 TRP 47 HB2 TRP 47 -7.110 -7.587 2.828 351 HD1 TRP 47 HD1 TRP 47 -7.873 -7.493 6.571 352 HE1 TRP 47 HE1 TRP 47 -7.045 -5.241 7.522 353 HE3 TRP 47 HE3 TRP 47 -6.606 -5.123 2.239 354 HZ2 TRP 47 HZ2 TRP 47 -5.979 -2.761 6.560 355 HZ3 TRP 47 HZ3 TRP 47 -5.686 -2.825 2.276 356 HH2 TRP 47 HH2 TRP 47 -5.372 -1.643 4.428 357 H LEU 48 H LEU 48 -8.864 -5.684 1.641 358 HA LEU 48 HA LEU 48 -9.296 -3.406 3.268 359 HB2 LEU 48 HB3 LEU 48 -8.279 -3.426 0.962 360 HB3 LEU 48 HB2 LEU 48 -9.894 -3.649 0.308 361 HG LEU 48 HG LEU 48 -10.463 -1.542 1.762 362 HD11 LEU 48 HD11 LEU 48 -7.876 -1.803 2.503 363 HD12 LEU 48 HD12 LEU 48 -8.720 -0.255 2.490 364 HD13 LEU 48 HD13 LEU 48 -7.691 -0.711 1.133 365 HD21 LEU 48 HD21 LEU 48 -10.765 -1.110 -0.470 366 HD22 LEU 48 HD22 LEU 48 -9.224 -1.840 -0.919 367 HD23 LEU 48 HD23 LEU 48 -9.268 -0.200 -0.271 368 H GLU 49 H GLU 49 -11.572 -5.282 1.274 369 HA GLU 49 HA GLU 49 -13.837 -3.596 1.751 370 HB2 GLU 49 HB3 GLU 49 -13.946 -5.193 -0.042 371 HB3 GLU 49 HB2 GLU 49 -13.603 -6.531 1.039 372 HG2 GLU 49 HG3 GLU 49 -15.746 -6.169 2.183 373 HG3 GLU 49 HG2 GLU 49 -16.090 -4.810 1.125 374 H ASP 50 H ASP 50 -12.541 -6.397 3.503 375 HA ASP 50 HA ASP 50 -14.693 -6.557 5.396 376 HB2 ASP 50 HB3 ASP 50 -12.992 -8.351 4.950 377 HB3 ASP 50 HB2 ASP 50 -11.816 -7.364 5.816 378 H ARG 51 H ARG 51 -11.490 -5.011 5.581 379 HA ARG 51 HA ARG 51 -11.888 -3.980 8.233 380 HB2 ARG 51 HB3 ARG 51 -9.660 -4.302 7.177 381 HB3 ARG 51 HB2 ARG 51 -10.010 -2.954 6.094 382 HG2 ARG 51 HG3 ARG 51 -10.289 -1.459 8.038 383 HG3 ARG 51 HG2 ARG 51 -9.934 -2.804 9.122 384 HD2 ARG 51 HD3 ARG 51 -7.710 -3.056 8.017 385 HD3 ARG 51 HD2 ARG 51 -8.063 -1.625 7.047 386 HE ARG 51 HE ARG 51 -7.178 -1.610 9.791 387 HH11 ARG 51 HH22 ARG 51 -9.281 -0.106 7.510 388 HH12 ARG 51 HH21 ARG 51 -9.270 1.429 8.312 389 HH21 ARG 51 HH11 ARG 51 -7.152 0.385 10.851 390 HH22 ARG 51 HH12 ARG 51 -8.064 1.707 10.204 391 H PHE 52 H PHE 52 -12.299 -2.431 5.016 392 HA PHE 52 HA PHE 52 -13.342 -0.032 6.422 393 HB2 PHE 52 HB3 PHE 52 -12.556 -0.499 3.537 394 HB3 PHE 52 HB2 PHE 52 -13.164 1.024 4.176 395 HD1 PHE 52 HD1 PHE 52 -11.856 2.314 5.840 396 HD2 PHE 52 HD2 PHE 52 -10.317 -1.265 4.030 397 HE1 PHE 52 HE1 PHE 52 -9.574 2.904 6.612 398 HE2 PHE 52 HE2 PHE 52 -8.035 -0.674 4.802 399 HZ PHE 52 HZ PHE 52 -7.664 1.410 6.093 400 H GLY 53 H GLY 53 -14.557 -2.830 4.948 401 HA2 GLY 53 HA3 GLY 53 -16.795 -3.400 4.447 402 HA3 GLY 53 HA2 GLY 53 -17.269 -1.837 5.114 403 H ILE 54 H ILE 54 -14.873 -1.985 2.576 404 HA ILE 54 HA ILE 54 -16.810 -0.596 0.786 405 HB ILE 54 HB ILE 54 -13.796 -0.855 0.557 406 HG12 ILE 54 HG13 ILE 54 -15.420 1.540 1.454 407 HG13 ILE 54 HG12 ILE 54 -14.679 0.405 2.583 408 HG21 ILE 54 HG21 ILE 54 -14.071 1.041 -1.035 409 HG22 ILE 54 HG22 ILE 54 -15.821 0.898 -0.868 410 HG23 ILE 54 HG23 ILE 54 -14.893 -0.418 -1.587 411 HD11 ILE 54 HD11 ILE 54 -13.147 1.892 0.433 412 HD12 ILE 54 HD12 ILE 54 -12.470 0.894 1.720 413 HD13 ILE 54 HD13 ILE 54 -13.257 2.423 2.111 414 H ALA 55 H ALA 55 -17.556 -1.611 -1.026 415 HA ALA 55 HA ALA 55 -17.086 -4.382 -1.482 416 HB1 ALA 55 HB1 ALA 55 -17.889 -3.016 -3.906 417 HB2 ALA 55 HB2 ALA 55 -18.788 -2.395 -2.522 418 HB3 ALA 55 HB3 ALA 55 -18.821 -4.119 -2.893 419 H ALA 56 H ALA 56 -15.847 -5.442 -3.085 420 HA ALA 56 HA ALA 56 -13.258 -4.405 -3.592 421 HB1 ALA 56 HB1 ALA 56 -13.526 -6.765 -3.731 422 HB2 ALA 56 HB2 ALA 56 -13.205 -6.250 -5.387 423 HB3 ALA 56 HB3 ALA 56 -14.853 -6.625 -4.883 424 H ASP 57 H ASP 57 -16.264 -3.930 -5.240 425 HA ASP 57 HA ASP 57 -16.842 -2.671 -7.118 426 HB2 ASP 57 HB3 ASP 57 -14.146 -1.440 -6.528 427 HB3 ASP 57 HB2 ASP 57 -15.290 -0.795 -7.699 428 H ASP 58 H ASP 58 -14.322 -4.861 -7.148 429 HA ASP 58 HA ASP 58 -13.187 -5.956 -8.887 430 HB2 ASP 58 HB3 ASP 58 -15.656 -4.997 -10.342 431 HB3 ASP 58 HB2 ASP 58 -14.518 -6.173 -10.994 432 H VAL 59 H VAL 59 -12.097 -3.469 -8.439 433 HA VAL 59 HA VAL 59 -11.820 -2.237 -11.143 434 HB VAL 59 HB VAL 59 -10.845 -0.317 -9.967 435 HG11 VAL 59 HG11 VAL 59 -13.071 0.167 -9.955 436 HG12 VAL 59 HG12 VAL 59 -12.945 -0.152 -8.225 437 HG13 VAL 59 HG13 VAL 59 -13.509 -1.418 -9.315 438 HG21 VAL 59 HG21 VAL 59 -9.676 -1.065 -8.116 439 HG22 VAL 59 HG22 VAL 59 -10.902 -2.262 -7.696 440 HG23 VAL 59 HG23 VAL 59 -11.169 -0.559 -7.326 441 H GLU 60 H GLU 60 -9.851 -2.278 -12.191 442 HA GLU 60 HA GLU 60 -7.680 -3.832 -10.852 443 HB2 GLU 60 HB3 GLU 60 -8.615 -4.748 -12.984 444 HB3 GLU 60 HB2 GLU 60 -8.081 -3.287 -13.805 445 HG2 GLU 60 HG3 GLU 60 -5.760 -3.764 -13.067 446 HG3 GLU 60 HG2 GLU 60 -6.324 -5.275 -12.364 447 H LEU 61 H LEU 61 -5.696 -2.879 -10.551 448 HA LEU 61 HA LEU 61 -5.422 -0.053 -11.447 449 HB2 LEU 61 HB3 LEU 61 -3.884 -1.535 -9.293 450 HB3 LEU 61 HB2 LEU 61 -3.773 0.185 -9.652 451 HG LEU 61 HG LEU 61 -5.234 -0.084 -7.742 452 HD11 LEU 61 HD11 LEU 61 -7.048 1.182 -8.495 453 HD12 LEU 61 HD12 LEU 61 -7.172 0.287 -10.010 454 HD13 LEU 61 HD13 LEU 61 -5.863 1.446 -9.774 455 HD21 LEU 61 HD21 LEU 61 -5.843 -2.537 -8.751 456 HD22 LEU 61 HD22 LEU 61 -7.290 -1.640 -9.210 457 HD23 LEU 61 HD23 LEU 61 -6.808 -1.728 -7.517 458 H SER 62 H SER 62 -3.677 0.550 -12.717 459 HA SER 62 HA SER 62 -2.239 -1.609 -14.076 460 HB2 SER 62 HB3 SER 62 -2.325 -0.078 -15.725 461 HB3 SER 62 HB2 SER 62 -2.898 1.150 -14.600 462 HG SER 62 HG SER 62 -0.807 1.539 -15.663 463 HA PRO 63 HA PRO 63 1.583 -1.682 -11.905 464 HB2 PRO 63 HB2 PRO 63 3.388 -1.138 -13.990 465 HB3 PRO 63 HB3 PRO 63 2.777 -2.735 -13.530 466 HG2 PRO 63 HG3 PRO 63 1.941 -0.952 -15.735 467 HG3 PRO 63 HG2 PRO 63 1.942 -2.721 -15.643 468 HD2 PRO 63 HD3 PRO 63 -0.342 -1.263 -15.456 469 HD3 PRO 63 HD2 PRO 63 -0.127 -2.804 -14.598 470 H GLU 64 H GLU 64 1.039 1.085 -14.014 471 HA GLU 64 HA GLU 64 3.141 2.753 -13.031 472 HB2 GLU 64 HB3 GLU 64 0.451 3.453 -14.205 473 HB3 GLU 64 HB2 GLU 64 1.728 4.624 -13.897 474 HG2 GLU 64 HG3 GLU 64 2.012 2.187 -15.661 475 HG3 GLU 64 HG2 GLU 64 1.744 3.824 -16.243 476 H HIS 65 H HIS 65 -0.044 1.977 -11.795 477 HA HIS 65 HA HIS 65 -0.235 4.145 -9.913 478 HB2 HIS 65 HB3 HIS 65 -2.190 2.804 -10.574 479 HB3 HIS 65 HB2 HIS 65 -1.474 1.377 -9.825 480 HD1 HIS 65 HD1 HIS 65 -1.667 1.141 -7.298 481 HD2 HIS 65 HD2 HIS 65 -2.987 4.854 -8.667 482 HE1 HIS 65 HE1 HIS 65 -2.775 2.283 -5.324 483 HE2 HIS 65 HE2 HIS 65 -3.578 4.543 -6.146 484 H PHE 66 H PHE 66 1.439 1.074 -9.868 485 HA PHE 66 HA PHE 66 2.000 1.358 -6.965 486 HB2 PHE 66 HB3 PHE 66 2.800 -0.838 -8.900 487 HB3 PHE 66 HB2 PHE 66 2.975 -0.882 -7.145 488 HD1 PHE 66 HD1 PHE 66 1.008 -1.098 -5.680 489 HD2 PHE 66 HD2 PHE 66 0.626 -1.048 -9.955 490 HE1 PHE 66 HE1 PHE 66 -1.319 -1.939 -5.485 491 HE2 PHE 66 HE2 PHE 66 -1.692 -1.892 -9.765 492 HZ PHE 66 HZ PHE 66 -2.669 -2.335 -7.530 493 H ARG 67 H ARG 67 3.217 2.731 -9.627 494 HA ARG 67 HA ARG 67 5.977 2.159 -9.669 495 HB2 ARG 67 HB3 ARG 67 4.804 3.622 -11.312 496 HB3 ARG 67 HB2 ARG 67 4.674 4.869 -10.077 497 HG2 ARG 67 HG3 ARG 67 6.592 5.501 -11.282 498 HG3 ARG 67 HG2 ARG 67 7.255 4.645 -9.896 499 HD2 ARG 67 HD3 ARG 67 7.490 2.599 -11.238 500 HD3 ARG 67 HD2 ARG 67 6.762 3.412 -12.622 501 HE ARG 67 HE ARG 67 9.080 4.844 -11.635 502 HH11 ARG 67 HH22 ARG 67 7.959 2.161 -13.488 503 HH12 ARG 67 HH21 ARG 67 9.366 2.099 -14.496 504 HH21 ARG 67 HH11 ARG 67 10.924 4.778 -12.941 505 HH22 ARG 67 HH12 ARG 67 11.045 3.581 -14.187 506 H SER 68 H SER 68 4.158 4.339 -7.522 507 HA SER 68 HA SER 68 6.503 4.307 -5.702 508 HB2 SER 68 HB3 SER 68 6.706 6.366 -7.072 509 HB3 SER 68 HB2 SER 68 5.098 6.852 -6.551 510 HG SER 68 HG SER 68 7.451 7.129 -5.291 511 H ILE 69 H ILE 69 5.938 4.631 -3.498 512 HA ILE 69 HA ILE 69 3.393 3.693 -2.686 513 HB ILE 69 HB ILE 69 5.373 5.372 -1.122 514 HG12 ILE 69 HG13 ILE 69 5.106 2.367 -1.321 515 HG13 ILE 69 HG12 ILE 69 6.323 3.310 -2.166 516 HG21 ILE 69 HG21 ILE 69 2.803 4.369 -0.479 517 HG22 ILE 69 HG22 ILE 69 3.969 5.126 0.606 518 HG23 ILE 69 HG23 ILE 69 3.981 3.378 0.378 519 HD11 ILE 69 HD11 ILE 69 6.580 4.219 0.420 520 HD12 ILE 69 HD12 ILE 69 7.600 2.988 -0.322 521 HD13 ILE 69 HD13 ILE 69 6.211 2.512 0.655 522 H ARG 70 H ARG 70 4.634 6.993 -3.091 523 HA ARG 70 HA ARG 70 2.474 8.369 -1.848 524 HB2 ARG 70 HB3 ARG 70 4.243 9.216 -4.161 525 HB3 ARG 70 HB2 ARG 70 3.182 10.300 -3.261 526 HG2 ARG 70 HG3 ARG 70 4.389 9.663 -1.163 527 HG3 ARG 70 HG2 ARG 70 5.511 8.717 -2.141 528 HD2 ARG 70 HD3 ARG 70 5.026 11.702 -2.362 529 HD3 ARG 70 HD2 ARG 70 6.468 10.926 -1.706 530 HE ARG 70 HE ARG 70 6.284 9.885 -4.259 531 HH11 ARG 70 HH22 ARG 70 6.256 13.033 -2.854 532 HH12 ARG 70 HH21 ARG 70 6.988 13.796 -4.225 533 HH21 ARG 70 HH11 ARG 70 7.241 10.863 -6.057 534 HH22 ARG 70 HH12 ARG 70 7.546 12.568 -6.039 535 H SER 71 H SER 71 2.841 7.136 -5.163 536 HA SER 71 HA SER 71 0.565 8.390 -6.299 537 HB2 SER 71 HB3 SER 71 1.620 5.617 -6.916 538 HB3 SER 71 HB2 SER 71 0.648 6.630 -7.975 539 HG SER 71 HG SER 71 2.799 7.978 -7.083 540 H ILE 72 H ILE 72 0.867 5.357 -4.465 541 HA ILE 72 HA ILE 72 -1.850 4.529 -4.768 542 HB ILE 72 HB ILE 72 0.090 3.993 -2.499 543 HG12 ILE 72 HG13 ILE 72 -0.513 2.366 -4.990 544 HG13 ILE 72 HG12 ILE 72 0.921 3.372 -4.781 545 HG21 ILE 72 HG21 ILE 72 -1.658 1.828 -2.991 546 HG22 ILE 72 HG22 ILE 72 -2.660 3.277 -2.943 547 HG23 ILE 72 HG23 ILE 72 -1.623 2.877 -1.575 548 HD11 ILE 72 HD11 ILE 72 0.168 0.840 -3.345 549 HD12 ILE 72 HD12 ILE 72 1.245 2.005 -2.574 550 HD13 ILE 72 HD13 ILE 72 1.698 1.268 -4.111 551 H ASP 73 H ASP 73 -0.208 6.590 -2.396 552 HA ASP 73 HA ASP 73 -2.320 6.875 -0.536 553 HB2 ASP 73 HB3 ASP 73 0.046 7.745 -0.293 554 HB3 ASP 73 HB2 ASP 73 -0.410 9.075 -1.359 555 H ALA 74 H ALA 74 -1.713 8.605 -3.585 556 HA ALA 74 HA ALA 74 -3.822 10.515 -3.257 557 HB1 ALA 74 HB1 ALA 74 -2.856 11.266 -5.147 558 HB2 ALA 74 HB2 ALA 74 -3.575 9.911 -6.018 559 HB3 ALA 74 HB3 ALA 74 -1.964 9.754 -5.318 560 H PHE 75 H PHE 75 -3.752 7.317 -4.822 561 HA PHE 75 HA PHE 75 -6.502 7.370 -5.648 562 HB2 PHE 75 HB3 PHE 75 -4.788 5.771 -6.524 563 HB3 PHE 75 HB2 PHE 75 -4.820 4.953 -4.964 564 HD1 PHE 75 HD1 PHE 75 -6.819 5.801 -7.965 565 HD2 PHE 75 HD2 PHE 75 -6.652 3.528 -4.324 566 HE1 PHE 75 HE1 PHE 75 -8.809 4.505 -8.682 567 HE2 PHE 75 HE2 PHE 75 -8.641 2.232 -5.041 568 HZ PHE 75 HZ PHE 75 -9.720 2.721 -7.220 569 H VAL 76 H VAL 76 -4.897 5.981 -2.780 570 HA VAL 76 HA VAL 76 -7.293 5.010 -1.561 571 HB VAL 76 HB VAL 76 -4.601 5.796 -0.420 572 HG11 VAL 76 HG11 VAL 76 -5.460 4.304 1.513 573 HG12 VAL 76 HG12 VAL 76 -7.066 4.638 0.864 574 HG13 VAL 76 HG13 VAL 76 -6.049 5.964 1.428 575 HG21 VAL 76 HG21 VAL 76 -4.709 3.850 -1.998 576 HG22 VAL 76 HG22 VAL 76 -5.876 3.087 -0.919 577 HG23 VAL 76 HG23 VAL 76 -4.228 3.387 -0.366 578 H VAL 77 H VAL 77 -5.539 8.106 -1.270 579 HA VAL 77 HA VAL 77 -7.120 9.195 0.827 580 HB VAL 77 HB VAL 77 -5.591 10.481 -1.444 581 HG11 VAL 77 HG11 VAL 77 -5.785 12.552 0.027 582 HG12 VAL 77 HG12 VAL 77 -7.074 11.708 0.884 583 HG13 VAL 77 HG13 VAL 77 -7.252 12.080 -0.830 584 HG21 VAL 77 HG21 VAL 77 -4.774 10.863 1.358 585 HG22 VAL 77 HG22 VAL 77 -3.804 10.402 -0.041 586 HG23 VAL 77 HG23 VAL 77 -4.730 9.181 0.832 587 H GLY 78 H GLY 78 -7.539 9.267 -2.704 588 HA2 GLY 78 HA3 GLY 78 -9.761 11.022 -2.799 589 HA3 GLY 78 HA2 GLY 78 -9.439 9.759 -3.987 590 H ALA 79 H ALA 79 -9.604 7.545 -2.110 591 HA ALA 79 HA ALA 79 -12.549 7.421 -1.928 592 HB1 ALA 79 HB1 ALA 79 -12.273 5.043 -1.679 593 HB2 ALA 79 HB2 ALA 79 -10.551 5.226 -1.344 594 HB3 ALA 79 HB3 ALA 79 -11.176 5.564 -2.958 595 H THR 80 H THR 80 -9.750 6.819 0.207 596 HA THR 80 HA THR 80 -11.370 7.772 2.488 597 HB THR 80 HB THR 80 -11.683 5.265 2.281 598 HG1 THR 80 HG1 THR 80 -12.023 5.721 4.298 599 HG21 THR 80 HG21 THR 80 -8.782 5.183 3.137 600 HG22 THR 80 HG22 THR 80 -9.321 4.871 1.488 601 HG23 THR 80 HG23 THR 80 -9.835 3.811 2.799 602 H THR 81 H THR 81 -10.061 8.473 4.257 603 HA THR 81 HA THR 81 -7.122 8.337 3.866 604 HB THR 81 HB THR 81 -7.760 10.447 2.849 605 HG1 THR 81 HG1 THR 81 -5.913 10.568 4.077 606 HG21 THR 81 HG21 THR 81 -9.926 10.435 4.434 607 HG22 THR 81 HG22 THR 81 -9.300 11.916 3.714 608 HG23 THR 81 HG23 THR 81 -8.905 11.513 5.384 609 HA PRO 82 HA PRO 82 -8.253 7.700 8.268 610 HB2 PRO 82 HB2 PRO 82 -6.694 5.534 8.722 611 HB3 PRO 82 HB3 PRO 82 -8.274 5.416 7.923 612 HG2 PRO 82 HG3 PRO 82 -5.552 5.300 6.758 613 HG3 PRO 82 HG2 PRO 82 -7.034 4.467 6.263 614 HD2 PRO 82 HD3 PRO 82 -5.970 6.772 5.055 615 HD3 PRO 82 HD2 PRO 82 -7.618 6.150 4.832 616 HA PRO 83 HA PRO 83 -4.466 9.872 9.489 617 HB2 PRO 83 HB2 PRO 83 -5.193 10.498 12.037 618 HB3 PRO 83 HB3 PRO 83 -5.822 11.359 10.619 619 HG2 PRO 83 HG3 PRO 83 -7.107 9.262 12.284 620 HG3 PRO 83 HG2 PRO 83 -7.816 10.693 11.519 621 HD2 PRO 83 HD3 PRO 83 -8.024 8.131 10.498 622 HD3 PRO 83 HD2 PRO 83 -8.167 9.610 9.523 623 H VAL 84 H VAL 84 -2.601 9.379 10.739 624 HA VAL 84 HA VAL 84 -2.791 6.971 12.502 625 HB VAL 84 HB VAL 84 -1.866 6.376 10.248 626 HG11 VAL 84 HG11 VAL 84 -0.803 8.634 9.888 627 HG12 VAL 84 HG12 VAL 84 0.273 7.276 9.559 628 HG13 VAL 84 HG13 VAL 84 0.430 8.179 11.065 629 HG21 VAL 84 HG21 VAL 84 0.082 5.184 11.118 630 HG22 VAL 84 HG22 VAL 84 -1.192 5.177 12.338 631 HG23 VAL 84 HG23 VAL 84 0.173 6.283 12.495 632 H GLU 85 H GLU 85 -1.601 7.145 14.392 633 HA GLU 85 HA GLU 85 -0.658 9.733 15.201 634 HB2 GLU 85 HB3 GLU 85 -1.470 7.956 16.770 635 HB3 GLU 85 HB2 GLU 85 0.005 7.045 16.441 636 HG2 GLU 85 HG3 GLU 85 1.344 9.000 17.221 637 HG3 GLU 85 HG2 GLU 85 -0.157 9.825 17.643 638 H ALA 86 H ALA 86 1.006 6.819 14.036 639 HA ALA 86 HA ALA 86 3.286 8.448 13.195 640 HB1 ALA 86 HB1 ALA 86 3.615 6.359 15.371 641 HB2 ALA 86 HB2 ALA 86 3.872 8.095 15.546 642 HB3 ALA 86 HB3 ALA 86 4.945 7.144 14.519 643 H LYS 87 H LYS 87 4.707 7.241 11.776 644 HA LYS 87 HA LYS 87 3.414 5.285 10.168 645 HB2 LYS 87 HB3 LYS 87 5.366 6.698 9.458 646 HB3 LYS 87 HB2 LYS 87 6.404 5.691 10.467 647 HG2 LYS 87 HG3 LYS 87 5.709 3.694 9.178 648 HG3 LYS 87 HG2 LYS 87 4.708 4.717 8.147 649 HD2 LYS 87 HD3 LYS 87 6.763 6.023 7.544 650 HD3 LYS 87 HD2 LYS 87 7.720 4.856 8.457 651 HE2 LYS 87 HE3 LYS 87 6.240 3.189 6.875 652 HE3 LYS 87 HE2 LYS 87 6.439 4.579 5.808 653 HZ1 LYS 87 HZ1 LYS 87 8.290 3.195 5.452 654 HZ2 LYS 87 HZ2 LYS 87 8.555 2.970 7.112 655 HZ3 LYS 87 HZ3 LYS 87 8.862 4.482 6.402 656 H LEU 88 H LEU 88 5.660 4.952 12.890 657 HA LEU 88 HA LEU 88 5.412 1.991 12.692 658 HB2 LEU 88 HB3 LEU 88 7.696 3.002 12.906 659 HB3 LEU 88 HB2 LEU 88 7.221 3.644 14.477 660 HG LEU 88 HG LEU 88 6.672 1.287 15.189 661 HD11 LEU 88 HD11 LEU 88 7.353 0.824 12.386 662 HD12 LEU 88 HD12 LEU 88 6.526 -0.235 13.526 663 HD13 LEU 88 HD13 LEU 88 8.287 -0.203 13.472 664 HD21 LEU 88 HD21 LEU 88 9.398 0.767 14.713 665 HD22 LEU 88 HD22 LEU 88 8.704 1.550 16.133 666 HD23 LEU 88 HD23 LEU 88 9.262 2.524 14.772 667 H GLN 89 H GLN 89 4.188 0.886 14.163 668 HA GLN 89 HA GLN 89 2.234 1.989 15.765 669 HB2 GLN 89 HB3 GLN 89 3.875 -0.492 16.369 670 HB3 GLN 89 HB2 GLN 89 2.340 -0.092 17.140 671 HG2 GLN 89 HG3 GLN 89 1.210 -0.127 14.961 672 HG3 GLN 89 HG2 GLN 89 2.742 -0.473 14.158 673 HE21 GLN 89 HE22 GLN 89 0.566 -2.295 13.929 674 HE22 GLN 89 HE21 GLN 89 0.955 -3.718 14.770 675 H1 PN7 101 3HO SAT 38 1.050 -5.530 -15.160 676 H2 PN7 101 1H1 SAT 38 2.525 -6.658 -10.835 677 H3 PN7 101 2H1 SAT 38 0.772 -6.617 -10.646 678 H5 PN7 101 3HE1 SAT 38 3.121 -6.702 -13.507 679 H6 PN7 101 1HE1 SAT 38 3.568 -5.265 -12.587 680 H7 PN7 101 2HE1 SAT 38 2.709 -5.099 -14.118 681 H8 PN7 101 2HE2 SAT 38 0.882 -3.714 -12.723 682 H9 PN7 101 3HE2 SAT 38 2.022 -3.986 -11.405 683 H10 PN7 101 1HE2 SAT 38 0.332 -4.458 -11.223 684 H11 PN7 101 3H SAT 38 0.573 -7.187 -13.808 685 H12 PN7 101 5H SAT 38 -1.221 -4.180 -12.744 686 H13 PN7 101 2H6 SAT 38 -3.460 -5.998 -13.409 687 H14 PN7 101 1H6 SAT 38 -3.543 -4.238 -13.351 688 H15 PN7 101 1H7 SAT 38 -4.472 -4.449 -11.303 689 H16 PN7 101 2H7 SAT 38 -2.898 -5.005 -10.733 690 H17 PN7 101 9H SAT 38 -3.116 -6.882 -9.604 691 H18 PN7 101 2H10 SAT 38 -5.684 -8.238 -9.710 692 H19 PN7 101 1H10 SAT 38 -4.358 -8.624 -8.614 693 H20 PN7 101 1H11 SAT 38 -5.066 -9.841 -11.189 694 H21 PN7 101 2H11 SAT 38 -4.075 -10.483 -9.879 695 H22 PN7 101 2HS1 SAT 38 -2.458 -10.063 -11.872 Start of MODEL 17 1 H1 MET 1 H1 MET 1 0.926 12.476 2.205 2 H2 MET 1 H2 MET 1 -0.402 12.761 3.225 3 H3 MET 1 H3 MET 1 -0.546 11.685 1.918 4 HA MET 1 HA MET 1 0.602 10.018 2.948 5 HB2 MET 1 HB3 MET 1 1.840 12.205 4.645 6 HB3 MET 1 HB2 MET 1 2.161 10.482 4.853 7 HG2 MET 1 HG3 MET 1 2.883 10.405 2.445 8 HG3 MET 1 HG2 MET 1 2.743 12.161 2.401 9 HE1 MET 1 HE1 MET 1 4.218 9.091 3.742 10 HE2 MET 1 HE2 MET 1 4.252 9.727 5.385 11 HE3 MET 1 HE3 MET 1 5.760 9.500 4.488 12 H GLN 2 H GLN 2 -1.970 11.417 3.518 13 HA GLN 2 HA GLN 2 -2.521 11.482 6.308 14 HB2 GLN 2 HB3 GLN 2 -4.357 10.772 3.997 15 HB3 GLN 2 HB2 GLN 2 -4.897 11.155 5.632 16 HG2 GLN 2 HG3 GLN 2 -3.866 13.386 5.459 17 HG3 GLN 2 HG2 GLN 2 -3.309 13.005 3.829 18 HE21 GLN 2 HE22 GLN 2 -5.056 15.203 4.230 19 HE22 GLN 2 HE21 GLN 2 -6.571 14.834 3.558 20 H HIS 3 H HIS 3 -2.581 8.813 3.973 21 HA HIS 3 HA HIS 3 -2.884 6.932 6.283 22 HB2 HIS 3 HB3 HIS 3 -3.900 6.547 3.451 23 HB3 HIS 3 HB2 HIS 3 -4.087 5.408 4.785 24 HD1 HIS 3 HD1 HIS 3 -5.640 8.354 3.249 25 HD2 HIS 3 HD2 HIS 3 -5.730 6.512 6.989 26 HE1 HIS 3 HE1 HIS 3 -7.657 9.294 4.461 27 HE2 HIS 3 HE2 HIS 3 -7.722 8.179 6.739 28 H ALA 4 H ALA 4 -0.631 8.095 4.313 29 HA ALA 4 HA ALA 4 0.484 5.852 2.968 30 HB1 ALA 4 HB1 ALA 4 1.684 8.372 4.110 31 HB2 ALA 4 HB2 ALA 4 1.421 7.949 2.418 32 HB3 ALA 4 HB3 ALA 4 2.694 7.150 3.340 33 H SER 5 H SER 5 0.686 6.872 6.344 34 HA SER 5 HA SER 5 2.842 5.185 7.126 35 HB2 SER 5 HB3 SER 5 0.455 6.029 8.787 36 HB3 SER 5 HB2 SER 5 2.002 5.461 9.406 37 HG SER 5 HG SER 5 2.479 7.515 9.337 38 H VAL 6 H VAL 6 -0.677 4.553 7.147 39 HA VAL 6 HA VAL 6 -0.378 1.873 8.170 40 HB VAL 6 HB VAL 6 -2.535 2.939 8.376 41 HG11 VAL 6 HG11 VAL 6 -2.582 4.466 6.551 42 HG12 VAL 6 HG12 VAL 6 -3.887 3.324 6.239 43 HG13 VAL 6 HG13 VAL 6 -2.362 3.177 5.368 44 HG21 VAL 6 HG21 VAL 6 -3.950 1.185 7.551 45 HG22 VAL 6 HG22 VAL 6 -2.393 0.440 7.910 46 HG23 VAL 6 HG23 VAL 6 -2.830 0.811 6.242 47 H ILE 7 H ILE 7 -0.419 3.246 4.919 48 HA ILE 7 HA ILE 7 -0.634 0.828 3.452 49 HB ILE 7 HB ILE 7 0.875 3.376 2.809 50 HG12 ILE 7 HG13 ILE 7 -1.817 2.381 1.827 51 HG13 ILE 7 HG12 ILE 7 -1.628 3.496 3.178 52 HG21 ILE 7 HG21 ILE 7 0.162 0.972 1.106 53 HG22 ILE 7 HG22 ILE 7 1.768 1.635 1.407 54 HG23 ILE 7 HG23 ILE 7 0.613 2.535 0.426 55 HD11 ILE 7 HD11 ILE 7 -0.040 4.490 1.035 56 HD12 ILE 7 HD12 ILE 7 -1.493 5.208 1.729 57 HD13 ILE 7 HD13 ILE 7 -1.624 4.087 0.374 58 H ALA 8 H ALA 8 2.304 2.548 4.560 59 HA ALA 8 HA ALA 8 4.145 0.557 3.623 60 HB1 ALA 8 HB1 ALA 8 4.254 2.978 5.200 61 HB2 ALA 8 HB2 ALA 8 5.544 2.197 4.286 62 HB3 ALA 8 HB3 ALA 8 5.234 1.721 5.956 63 H GLN 9 H GLN 9 2.642 1.090 6.795 64 HA GLN 9 HA GLN 9 3.803 -1.171 8.093 65 HB2 GLN 9 HB3 GLN 9 2.643 0.684 9.279 66 HB3 GLN 9 HB2 GLN 9 1.111 0.131 8.604 67 HG2 GLN 9 HG3 GLN 9 2.285 -2.157 9.736 68 HG3 GLN 9 HG2 GLN 9 2.550 -0.869 10.910 69 HE21 GLN 9 HE22 GLN 9 -0.103 -2.113 8.797 70 HE22 GLN 9 HE21 GLN 9 -1.332 -1.842 9.936 71 H PHE 10 H PHE 10 0.846 -0.785 6.197 72 HA PHE 10 HA PHE 10 -0.220 -3.388 6.688 73 HB2 PHE 10 HB3 PHE 10 -1.483 -1.457 5.715 74 HB3 PHE 10 HB2 PHE 10 -0.581 -1.677 4.216 75 HD1 PHE 10 HD2 PHE 10 -3.027 -3.227 6.521 76 HD2 PHE 10 HD1 PHE 10 -1.060 -3.492 2.714 77 HE1 PHE 10 HE2 PHE 10 -4.625 -4.991 5.820 78 HE2 PHE 10 HE1 PHE 10 -2.657 -5.255 2.010 79 HZ PHE 10 HZ PHE 10 -4.440 -6.003 3.564 80 H VAL 11 H VAL 11 1.669 -2.173 3.903 81 HA VAL 11 HA VAL 11 1.873 -4.804 2.715 82 HB VAL 11 HB VAL 11 3.387 -3.739 1.133 83 HG11 VAL 11 HG11 VAL 11 1.882 -2.102 0.254 84 HG12 VAL 11 HG12 VAL 11 1.247 -1.731 1.856 85 HG13 VAL 11 HG13 VAL 11 0.879 -3.280 1.100 86 HG21 VAL 11 HG21 VAL 11 4.816 -2.391 2.433 87 HG22 VAL 11 HG22 VAL 11 3.470 -1.611 3.263 88 HG23 VAL 11 HG23 VAL 11 3.820 -1.211 1.582 89 H VAL 12 H VAL 12 4.151 -2.771 4.572 90 HA VAL 12 HA VAL 12 6.375 -4.538 4.412 91 HB VAL 12 HB VAL 12 5.585 -2.562 6.547 92 HG11 VAL 12 HG11 VAL 12 8.113 -4.170 6.147 93 HG12 VAL 12 HG12 VAL 12 7.100 -4.096 7.588 94 HG13 VAL 12 HG13 VAL 12 8.066 -2.698 7.116 95 HG21 VAL 12 HG21 VAL 12 6.406 -1.014 5.130 96 HG22 VAL 12 HG22 VAL 12 6.563 -2.273 3.905 97 HG23 VAL 12 HG23 VAL 12 7.915 -1.914 4.979 98 H GLU 13 H GLU 13 3.620 -4.482 6.623 99 HA GLU 13 HA GLU 13 4.592 -6.314 8.550 100 HB2 GLU 13 HB3 GLU 13 2.453 -5.043 8.754 101 HB3 GLU 13 HB2 GLU 13 1.752 -6.098 7.535 102 HG2 GLU 13 HG3 GLU 13 2.284 -8.057 9.002 103 HG3 GLU 13 HG2 GLU 13 2.811 -6.918 10.240 104 H GLU 14 H GLU 14 3.113 -6.853 5.393 105 HA GLU 14 HA GLU 14 2.897 -9.707 5.647 106 HB2 GLU 14 HB3 GLU 14 1.675 -8.339 3.950 107 HB3 GLU 14 HB2 GLU 14 3.206 -8.072 3.116 108 HG2 GLU 14 HG3 GLU 14 3.475 -10.540 2.894 109 HG3 GLU 14 HG2 GLU 14 1.884 -10.750 3.626 110 H PHE 15 H PHE 15 5.471 -7.577 4.444 111 HA PHE 15 HA PHE 15 7.107 -9.924 3.708 112 HB2 PHE 15 HB3 PHE 15 7.853 -6.991 3.606 113 HB3 PHE 15 HB2 PHE 15 8.681 -8.324 2.802 114 HD1 PHE 15 HD1 PHE 15 7.320 -9.726 1.107 115 HD2 PHE 15 HD2 PHE 15 6.087 -5.878 2.554 116 HE1 PHE 15 HE1 PHE 15 5.789 -9.488 -0.830 117 HE2 PHE 15 HE2 PHE 15 4.551 -5.639 0.626 118 HZ PHE 15 HZ PHE 15 4.404 -7.445 -1.071 119 H LEU 16 H LEU 16 7.616 -7.039 5.795 120 HA LEU 16 HA LEU 16 9.280 -8.794 7.558 121 HB2 LEU 16 HB3 LEU 16 10.072 -6.487 6.039 122 HB3 LEU 16 HB2 LEU 16 10.237 -6.131 7.756 123 HG LEU 16 HG LEU 16 11.506 -8.247 8.052 124 HD11 LEU 16 HD11 LEU 16 11.012 -9.772 6.422 125 HD12 LEU 16 HD12 LEU 16 12.367 -9.007 5.592 126 HD13 LEU 16 HD13 LEU 16 10.714 -8.529 5.207 127 HD21 LEU 16 HD21 LEU 16 12.669 -6.540 5.832 128 HD22 LEU 16 HD22 LEU 16 13.559 -7.454 7.049 129 HD23 LEU 16 HD23 LEU 16 12.620 -6.038 7.522 130 HA PRO 17 HA PRO 17 6.241 -6.637 10.232 131 HB2 PRO 17 HB2 PRO 17 5.163 -8.862 11.367 132 HB3 PRO 17 HB3 PRO 17 4.618 -8.215 9.811 133 HG2 PRO 17 HG3 PRO 17 6.188 -10.612 10.386 134 HG3 PRO 17 HG2 PRO 17 5.209 -10.211 8.972 135 HD2 PRO 17 HD3 PRO 17 8.070 -10.047 9.226 136 HD3 PRO 17 HD2 PRO 17 7.075 -9.613 7.818 137 H ASP 18 H ASP 18 8.699 -9.049 10.856 138 HA ASP 18 HA ASP 18 8.618 -8.799 13.754 139 HB2 ASP 18 HB3 ASP 18 10.699 -9.901 11.857 140 HB3 ASP 18 HB2 ASP 18 10.831 -9.982 13.609 141 H VAL 19 H VAL 19 9.529 -6.762 11.313 142 HA VAL 19 HA VAL 19 11.540 -5.359 13.026 143 HB VAL 19 HB VAL 19 11.111 -5.098 10.030 144 HG11 VAL 19 HG11 VAL 19 13.690 -4.285 11.022 145 HG12 VAL 19 HG12 VAL 19 12.427 -3.451 11.926 146 HG13 VAL 19 HG13 VAL 19 12.485 -3.322 10.168 147 HG21 VAL 19 HG21 VAL 19 13.131 -6.668 11.654 148 HG22 VAL 19 HG22 VAL 19 13.355 -6.287 9.947 149 HG23 VAL 19 HG23 VAL 19 12.000 -7.296 10.455 150 H ALA 20 H ALA 20 11.097 -3.136 13.475 151 HA ALA 20 HA ALA 20 8.364 -2.372 13.510 152 HB1 ALA 20 HB1 ALA 20 10.949 -1.103 14.107 153 HB2 ALA 20 HB2 ALA 20 9.424 -1.016 14.989 154 HB3 ALA 20 HB3 ALA 20 9.697 0.029 13.594 155 HA PRO 21 HA PRO 21 8.240 -1.396 9.076 156 HB2 PRO 21 HB2 PRO 21 5.575 -0.403 9.294 157 HB3 PRO 21 HB3 PRO 21 6.101 -1.970 8.665 158 HG2 PRO 21 HG3 PRO 21 4.762 -1.401 11.114 159 HG3 PRO 21 HG2 PRO 21 5.237 -2.968 10.447 160 HD2 PRO 21 HD3 PRO 21 6.406 -1.563 12.664 161 HD3 PRO 21 HD2 PRO 21 6.873 -3.138 11.992 162 H ALA 22 H ALA 22 7.510 0.730 11.734 163 HA ALA 22 HA ALA 22 7.325 3.166 10.171 164 HB1 ALA 22 HB1 ALA 22 6.898 4.169 12.170 165 HB2 ALA 22 HB2 ALA 22 8.260 3.381 12.966 166 HB3 ALA 22 HB3 ALA 22 6.738 2.515 12.760 167 H ASP 23 H ASP 23 9.943 1.170 11.133 168 HA ASP 23 HA ASP 23 11.895 3.382 11.068 169 HB2 ASP 23 HB3 ASP 23 13.556 1.712 11.650 170 HB3 ASP 23 HB2 ASP 23 12.151 1.488 12.688 171 H VAL 24 H VAL 24 10.225 2.022 8.733 172 HA VAL 24 HA VAL 24 12.490 1.423 6.915 173 HB VAL 24 HB VAL 24 9.500 1.324 6.400 174 HG11 VAL 24 HG11 VAL 24 11.866 1.029 4.724 175 HG12 VAL 24 HG12 VAL 24 10.169 1.134 4.252 176 HG13 VAL 24 HG13 VAL 24 10.865 -0.423 4.700 177 HG21 VAL 24 HG21 VAL 24 11.266 -1.083 6.731 178 HG22 VAL 24 HG22 VAL 24 9.527 -0.935 6.984 179 HG23 VAL 24 HG23 VAL 24 10.650 -0.266 8.167 180 H ASP 25 H ASP 25 13.117 2.852 5.319 181 HA ASP 25 HA ASP 25 12.346 5.597 5.528 182 HB2 ASP 25 HB3 ASP 25 13.744 4.096 3.294 183 HB3 ASP 25 HB2 ASP 25 13.592 5.852 3.362 184 H VAL 26 H VAL 26 9.983 5.436 5.403 185 HA VAL 26 HA VAL 26 8.597 4.399 3.129 186 HB VAL 26 HB VAL 26 6.703 5.733 3.896 187 HG11 VAL 26 HG11 VAL 26 7.427 3.728 5.224 188 HG12 VAL 26 HG12 VAL 26 6.569 4.933 6.185 189 HG13 VAL 26 HG13 VAL 26 8.325 4.812 6.286 190 HG21 VAL 26 HG21 VAL 26 7.378 7.869 4.424 191 HG22 VAL 26 HG22 VAL 26 8.899 7.325 5.130 192 HG23 VAL 26 HG23 VAL 26 7.402 7.191 6.052 193 H ASP 27 H ASP 27 10.888 6.711 3.079 194 HA ASP 27 HA ASP 27 9.523 8.444 1.082 195 HB2 ASP 27 HB3 ASP 27 12.218 8.677 2.460 196 HB3 ASP 27 HB2 ASP 27 11.620 9.813 1.250 197 H LEU 28 H LEU 28 10.967 5.564 1.060 198 HA LEU 28 HA LEU 28 12.683 6.017 -1.321 199 HB2 LEU 28 HB3 LEU 28 13.487 4.566 0.557 200 HB3 LEU 28 HB2 LEU 28 12.158 3.461 0.221 201 HG LEU 28 HG LEU 28 13.184 3.651 -2.263 202 HD11 LEU 28 HD11 LEU 28 15.562 3.843 -2.255 203 HD12 LEU 28 HD12 LEU 28 15.627 3.821 -0.492 204 HD13 LEU 28 HD13 LEU 28 14.965 5.223 -1.332 205 HD21 LEU 28 HD21 LEU 28 14.537 1.583 -1.648 206 HD22 LEU 28 HD22 LEU 28 12.836 1.538 -1.182 207 HD23 LEU 28 HD23 LEU 28 14.074 1.882 0.027 208 H ASP 29 H ASP 29 12.068 5.320 -3.355 209 HA ASP 29 HA ASP 29 9.311 4.797 -3.874 210 HB2 ASP 29 HB3 ASP 29 11.772 4.223 -5.558 211 HB3 ASP 29 HB2 ASP 29 10.114 4.107 -6.152 212 H LEU 30 H LEU 30 8.219 2.947 -3.447 213 HA LEU 30 HA LEU 30 9.540 0.592 -2.478 214 HB2 LEU 30 HB3 LEU 30 7.268 -0.446 -2.643 215 HB3 LEU 30 HB2 LEU 30 7.259 1.101 -1.795 216 HG LEU 30 HG LEU 30 6.932 1.426 -4.676 217 HD11 LEU 30 HD11 LEU 30 5.037 -0.350 -3.136 218 HD12 LEU 30 HD12 LEU 30 5.755 -0.631 -4.722 219 HD13 LEU 30 HD13 LEU 30 4.495 0.587 -4.527 220 HD21 LEU 30 HD21 LEU 30 5.067 2.834 -3.921 221 HD22 LEU 30 HD22 LEU 30 6.502 3.155 -2.948 222 HD23 LEU 30 HD23 LEU 30 5.199 2.160 -2.298 223 H VAL 31 H VAL 31 9.731 1.721 -5.489 224 HA VAL 31 HA VAL 31 8.897 -0.320 -7.236 225 HB VAL 31 HB VAL 31 10.048 1.938 -7.777 226 HG11 VAL 31 HG11 VAL 31 12.422 1.943 -7.978 227 HG12 VAL 31 HG12 VAL 31 12.521 0.201 -7.723 228 HG13 VAL 31 HG13 VAL 31 12.090 1.265 -6.384 229 HG21 VAL 31 HG21 VAL 31 10.374 -0.688 -9.176 230 HG22 VAL 31 HG22 VAL 31 11.236 0.710 -9.821 231 HG23 VAL 31 HG23 VAL 31 9.478 0.746 -9.679 232 H ASP 32 H ASP 32 11.786 -0.144 -5.196 233 HA ASP 32 HA ASP 32 13.051 -2.516 -6.184 234 HB2 ASP 32 HB3 ASP 32 14.283 -2.529 -4.075 235 HB3 ASP 32 HB2 ASP 32 14.140 -0.863 -4.636 236 H ASN 33 H ASN 33 10.480 -1.905 -3.891 237 HA ASN 33 HA ASN 33 10.238 -4.739 -3.146 238 HB2 ASN 33 HB3 ASN 33 8.460 -2.385 -2.485 239 HB3 ASN 33 HB2 ASN 33 8.380 -3.981 -1.744 240 HD21 ASN 33 HD22 ASN 33 9.296 -1.057 -0.870 241 HD22 ASN 33 HD21 ASN 33 10.706 -1.381 0.015 242 H GLY 34 H GLY 34 9.769 -3.430 -5.918 243 HA2 GLY 34 HA3 GLY 34 7.159 -3.398 -6.778 244 HA3 GLY 34 HA2 GLY 34 8.446 -4.113 -7.749 245 H VAL 35 H VAL 35 8.719 -6.036 -5.271 246 HA VAL 35 HA VAL 35 7.467 -8.292 -6.400 247 HB VAL 35 HB VAL 35 8.098 -7.640 -3.506 248 HG11 VAL 35 HG11 VAL 35 6.635 -9.899 -4.691 249 HG12 VAL 35 HG12 VAL 35 6.743 -9.388 -3.006 250 HG13 VAL 35 HG13 VAL 35 8.015 -10.389 -3.708 251 HG21 VAL 35 HG21 VAL 35 10.138 -8.655 -3.884 252 HG22 VAL 35 HG22 VAL 35 9.835 -8.029 -5.505 253 HG23 VAL 35 HG23 VAL 35 9.495 -9.720 -5.134 254 H ILE 36 H ILE 36 6.201 -5.870 -4.161 255 HA ILE 36 HA ILE 36 3.668 -7.172 -3.690 256 HB ILE 36 HB ILE 36 4.818 -5.237 -2.375 257 HG12 ILE 36 HG13 ILE 36 1.885 -5.434 -3.067 258 HG13 ILE 36 HG12 ILE 36 2.713 -6.013 -1.624 259 HG21 ILE 36 HG21 ILE 36 3.149 -3.554 -4.238 260 HG22 ILE 36 HG22 ILE 36 4.850 -3.866 -4.585 261 HG23 ILE 36 HG23 ILE 36 4.391 -3.033 -3.099 262 HD11 ILE 36 HD11 ILE 36 2.088 -3.160 -2.387 263 HD12 ILE 36 HD12 ILE 36 3.276 -3.558 -1.145 264 HD13 ILE 36 HD13 ILE 36 1.590 -4.032 -0.937 265 H ASP 37 H ASP 37 4.908 -5.140 -6.222 266 HA ASP 37 HA ASP 37 2.520 -4.038 -7.242 267 HB2 ASP 37 HB3 ASP 37 4.985 -4.944 -8.749 268 HB3 ASP 37 HB2 ASP 37 3.707 -3.942 -9.428 269 H SER 38 H SER 38 3.786 -7.315 -7.605 270 HA SER 38 HA SER 38 1.476 -7.915 -9.404 271 HB2 SER 38 2HB SER 38 3.792 -9.776 -9.030 272 HB3 SER 38 1HB SER 38 2.744 -9.567 -10.431 273 H LEU 39 H LEU 39 3.423 -9.761 -7.026 274 HA LEU 39 HA LEU 39 1.263 -11.554 -6.460 275 HB2 LEU 39 HB3 LEU 39 3.692 -12.053 -6.084 276 HB3 LEU 39 HB2 LEU 39 3.645 -10.956 -4.708 277 HG LEU 39 HG LEU 39 1.514 -13.005 -4.740 278 HD11 LEU 39 HD11 LEU 39 3.024 -14.784 -3.942 279 HD12 LEU 39 HD12 LEU 39 4.414 -13.742 -4.242 280 HD13 LEU 39 HD13 LEU 39 3.432 -14.311 -5.591 281 HD21 LEU 39 HD21 LEU 39 3.494 -11.985 -2.677 282 HD22 LEU 39 HD22 LEU 39 2.190 -13.121 -2.337 283 HD23 LEU 39 HD23 LEU 39 1.814 -11.478 -2.850 284 H GLY 40 H GLY 40 2.605 -8.854 -4.557 285 HA2 GLY 40 HA3 GLY 40 0.590 -9.055 -2.503 286 HA3 GLY 40 HA2 GLY 40 1.668 -7.687 -2.748 287 H LEU 41 H LEU 41 0.896 -7.135 -5.455 288 HA LEU 41 HA LEU 41 -1.277 -5.367 -5.029 289 HB2 LEU 41 HB3 LEU 41 0.395 -5.207 -6.878 290 HB3 LEU 41 HB2 LEU 41 -0.395 -6.566 -7.671 291 HG LEU 41 HG LEU 41 -1.918 -4.083 -6.859 292 HD11 LEU 41 HD11 LEU 41 -1.566 -3.170 -9.064 293 HD12 LEU 41 HD12 LEU 41 -0.679 -4.607 -9.571 294 HD13 LEU 41 HD13 LEU 41 0.017 -3.520 -8.370 295 HD21 LEU 41 HD21 LEU 41 -2.509 -6.579 -8.312 296 HD22 LEU 41 HD22 LEU 41 -3.014 -5.127 -9.173 297 HD23 LEU 41 HD23 LEU 41 -3.607 -5.438 -7.544 298 H LEU 42 H LEU 42 -1.206 -8.642 -6.402 299 HA LEU 42 HA LEU 42 -3.982 -8.735 -7.107 300 HB2 LEU 42 HB3 LEU 42 -2.255 -10.408 -7.848 301 HB3 LEU 42 HB2 LEU 42 -2.232 -11.040 -6.210 302 HG LEU 42 HG LEU 42 -4.750 -11.373 -6.428 303 HD11 LEU 42 HD11 LEU 42 -5.750 -10.609 -8.287 304 HD12 LEU 42 HD12 LEU 42 -4.773 -11.713 -9.253 305 HD13 LEU 42 HD13 LEU 42 -4.195 -10.083 -8.924 306 HD21 LEU 42 HD21 LEU 42 -3.756 -13.426 -6.548 307 HD22 LEU 42 HD22 LEU 42 -2.560 -12.886 -7.726 308 HD23 LEU 42 HD23 LEU 42 -4.186 -13.317 -8.255 309 H LYS 43 H LYS 43 -2.240 -9.659 -4.142 310 HA LYS 43 HA LYS 43 -4.584 -10.534 -2.723 311 HB2 LYS 43 HB3 LYS 43 -1.904 -9.550 -1.733 312 HB3 LYS 43 HB2 LYS 43 -3.125 -10.302 -0.714 313 HG2 LYS 43 HG3 LYS 43 -3.056 -12.317 -2.188 314 HG3 LYS 43 HG2 LYS 43 -1.739 -11.569 -3.092 315 HD2 LYS 43 HD3 LYS 43 -0.422 -11.425 -0.974 316 HD3 LYS 43 HD2 LYS 43 -1.714 -12.296 -0.149 317 HE2 LYS 43 HE3 LYS 43 -0.101 -13.326 -2.501 318 HE3 LYS 43 HE2 LYS 43 0.060 -13.854 -0.826 319 HZ1 LYS 43 HZ1 LYS 43 -2.020 -14.454 -2.771 320 HZ2 LYS 43 HZ2 LYS 43 -2.536 -14.208 -1.174 321 HZ3 LYS 43 HZ3 LYS 43 -1.390 -15.414 -1.519 322 H VAL 44 H VAL 44 -2.931 -7.423 -3.031 323 HA VAL 44 HA VAL 44 -4.328 -6.031 -0.974 324 HB VAL 44 HB VAL 44 -3.114 -5.058 -3.570 325 HG11 VAL 44 HG11 VAL 44 -3.153 -2.819 -2.350 326 HG12 VAL 44 HG12 VAL 44 -4.289 -3.558 -1.221 327 HG13 VAL 44 HG13 VAL 44 -4.716 -3.400 -2.924 328 HG21 VAL 44 HG21 VAL 44 -1.899 -6.093 -1.348 329 HG22 VAL 44 HG22 VAL 44 -1.956 -4.379 -0.936 330 HG23 VAL 44 HG23 VAL 44 -1.153 -4.905 -2.416 331 H ILE 45 H ILE 45 -5.073 -6.362 -4.450 332 HA ILE 45 HA ILE 45 -7.410 -4.736 -4.425 333 HB ILE 45 HB ILE 45 -6.285 -6.853 -6.194 334 HG12 ILE 45 HG13 ILE 45 -6.457 -5.110 -7.846 335 HG13 ILE 45 HG12 ILE 45 -7.541 -4.168 -6.823 336 HG21 ILE 45 HG21 ILE 45 -8.422 -6.622 -7.603 337 HG22 ILE 45 HG22 ILE 45 -9.193 -6.042 -6.127 338 HG23 ILE 45 HG23 ILE 45 -8.511 -7.668 -6.187 339 HD11 ILE 45 HD11 ILE 45 -4.859 -4.883 -5.717 340 HD12 ILE 45 HD12 ILE 45 -5.835 -3.441 -5.445 341 HD13 ILE 45 HD13 ILE 45 -4.932 -3.624 -6.948 342 H ALA 46 H ALA 46 -7.020 -8.254 -3.988 343 HA ALA 46 HA ALA 46 -9.802 -8.810 -3.604 344 HB1 ALA 46 HB1 ALA 46 -7.237 -10.209 -2.910 345 HB2 ALA 46 HB2 ALA 46 -8.520 -10.719 -4.009 346 HB3 ALA 46 HB3 ALA 46 -8.760 -10.821 -2.265 347 H TRP 47 H TRP 47 -7.206 -7.944 -1.344 348 HA TRP 47 HA TRP 47 -8.869 -8.251 1.014 349 HB2 TRP 47 HB3 TRP 47 -6.644 -8.400 1.597 350 HB3 TRP 47 HB2 TRP 47 -6.143 -7.199 0.408 351 HD1 TRP 47 HD1 TRP 47 -7.709 -7.490 3.896 352 HE1 TRP 47 HE1 TRP 47 -7.411 -5.234 5.114 353 HE3 TRP 47 HE3 TRP 47 -5.792 -4.681 0.093 354 HZ2 TRP 47 HZ2 TRP 47 -6.472 -2.588 4.542 355 HZ3 TRP 47 HZ3 TRP 47 -5.203 -2.305 0.452 356 HH2 TRP 47 HH2 TRP 47 -5.540 -1.259 2.665 357 H LEU 48 H LEU 48 -7.865 -5.491 -0.998 358 HA LEU 48 HA LEU 48 -8.976 -3.436 0.598 359 HB2 LEU 48 HB3 LEU 48 -7.519 -3.135 -1.447 360 HB3 LEU 48 HB2 LEU 48 -8.926 -3.508 -2.425 361 HG LEU 48 HG LEU 48 -10.132 -1.639 -1.230 362 HD11 LEU 48 HD11 LEU 48 -7.631 -1.649 0.212 363 HD12 LEU 48 HD12 LEU 48 -9.103 -0.744 0.558 364 HD13 LEU 48 HD13 LEU 48 -7.893 -0.074 -0.535 365 HD21 LEU 48 HD21 LEU 48 -7.650 -0.750 -2.715 366 HD22 LEU 48 HD22 LEU 48 -9.227 0.039 -2.688 367 HD23 LEU 48 HD23 LEU 48 -9.027 -1.503 -3.521 368 H GLU 49 H GLU 49 -10.480 -5.340 -2.022 369 HA GLU 49 HA GLU 49 -13.049 -4.063 -1.784 370 HB2 GLU 49 HB3 GLU 49 -12.642 -5.225 -3.814 371 HB3 GLU 49 HB2 GLU 49 -12.121 -6.677 -2.979 372 HG2 GLU 49 HG3 GLU 49 -14.408 -7.058 -2.179 373 HG3 GLU 49 HG2 GLU 49 -14.940 -5.575 -2.956 374 H ASP 50 H ASP 50 -11.601 -6.936 -0.310 375 HA ASP 50 HA ASP 50 -13.960 -7.844 1.030 376 HB2 ASP 50 HB3 ASP 50 -11.844 -9.160 0.697 377 HB3 ASP 50 HB2 ASP 50 -11.104 -8.163 1.948 378 H ARG 51 H ARG 51 -11.344 -5.668 2.049 379 HA ARG 51 HA ARG 51 -12.228 -5.335 4.737 380 HB2 ARG 51 HB3 ARG 51 -9.982 -4.675 3.885 381 HB3 ARG 51 HB2 ARG 51 -10.736 -3.324 3.036 382 HG2 ARG 51 HG3 ARG 51 -11.595 -2.455 5.183 383 HG3 ARG 51 HG2 ARG 51 -10.826 -3.797 6.031 384 HD2 ARG 51 HD3 ARG 51 -8.621 -3.046 5.145 385 HD3 ARG 51 HD2 ARG 51 -9.419 -1.654 4.412 386 HE ARG 51 HE ARG 51 -9.895 -1.925 7.290 387 HH11 ARG 51 HH22 ARG 51 -7.928 -0.689 4.743 388 HH12 ARG 51 HH21 ARG 51 -7.267 0.596 5.698 389 HH21 ARG 51 HH11 ARG 51 -9.044 -0.253 8.552 390 HH22 ARG 51 HH12 ARG 51 -7.899 0.843 7.854 391 H PHE 52 H PHE 52 -12.971 -3.365 1.824 392 HA PHE 52 HA PHE 52 -14.958 -1.890 3.482 393 HB2 PHE 52 HB3 PHE 52 -13.712 -1.257 0.797 394 HB3 PHE 52 HB2 PHE 52 -14.938 -0.271 1.583 395 HD1 PHE 52 HD1 PHE 52 -14.455 0.757 3.837 396 HD2 PHE 52 HD2 PHE 52 -11.427 -1.160 1.468 397 HE1 PHE 52 HE1 PHE 52 -12.696 1.876 5.180 398 HE2 PHE 52 HE2 PHE 52 -9.668 -0.041 2.811 399 HZ PHE 52 HZ PHE 52 -10.302 1.477 4.667 400 H GLY 53 H GLY 53 -14.786 -4.397 1.209 401 HA2 GLY 53 HA3 GLY 53 -16.528 -5.583 0.153 402 HA3 GLY 53 HA2 GLY 53 -17.666 -4.554 1.021 403 H ILE 54 H ILE 54 -15.163 -3.133 -0.974 404 HA ILE 54 HA ILE 54 -17.293 -2.324 -2.924 405 HB ILE 54 HB ILE 54 -16.088 -0.248 -3.226 406 HG12 ILE 54 HG13 ILE 54 -14.017 -1.555 -1.437 407 HG13 ILE 54 HG12 ILE 54 -13.806 -1.047 -3.112 408 HG21 ILE 54 HG21 ILE 54 -16.144 -0.871 -0.260 409 HG22 ILE 54 HG22 ILE 54 -17.583 -0.509 -1.213 410 HG23 ILE 54 HG23 ILE 54 -16.326 0.712 -1.015 411 HD11 ILE 54 HD11 ILE 54 -14.048 0.652 -0.647 412 HD12 ILE 54 HD12 ILE 54 -14.475 1.314 -2.225 413 HD13 ILE 54 HD13 ILE 54 -12.839 0.725 -1.928 414 H ALA 55 H ALA 55 -16.675 -2.228 -5.156 415 HA ALA 55 HA ALA 55 -14.958 -4.328 -6.038 416 HB1 ALA 55 HB1 ALA 55 -15.098 -2.748 -8.235 417 HB2 ALA 55 HB2 ALA 55 -16.452 -2.098 -7.310 418 HB3 ALA 55 HB3 ALA 55 -16.412 -3.811 -7.731 419 H ALA 56 H ALA 56 -12.907 -4.149 -7.168 420 HA ALA 56 HA ALA 56 -10.947 -2.626 -5.842 421 HB1 ALA 56 HB1 ALA 56 -9.448 -3.230 -7.663 422 HB2 ALA 56 HB2 ALA 56 -10.816 -3.573 -8.722 423 HB3 ALA 56 HB3 ALA 56 -10.504 -4.602 -7.324 424 H ASP 57 H ASP 57 -13.040 -1.773 -8.515 425 HA ASP 57 HA ASP 57 -13.339 0.242 -9.667 426 HB2 ASP 57 HB3 ASP 57 -12.080 1.301 -7.131 427 HB3 ASP 57 HB2 ASP 57 -12.855 2.306 -8.352 428 H ASP 58 H ASP 58 -11.098 -1.167 -10.499 429 HA ASP 58 HA ASP 58 -9.251 1.073 -11.181 430 HB2 ASP 58 HB3 ASP 58 -8.461 -1.729 -10.364 431 HB3 ASP 58 HB2 ASP 58 -7.353 -0.546 -11.055 432 H VAL 59 H VAL 59 -9.882 1.308 -13.312 433 HA VAL 59 HA VAL 59 -10.726 -0.814 -15.014 434 HB VAL 59 HB VAL 59 -9.480 1.837 -15.760 435 HG11 VAL 59 HG11 VAL 59 -11.438 0.861 -17.616 436 HG12 VAL 59 HG12 VAL 59 -10.226 -0.394 -17.363 437 HG13 VAL 59 HG13 VAL 59 -9.735 1.211 -17.906 438 HG21 VAL 59 HG21 VAL 59 -12.110 1.034 -14.719 439 HG22 VAL 59 HG22 VAL 59 -12.198 1.988 -16.200 440 HG23 VAL 59 HG23 VAL 59 -11.369 2.634 -14.784 441 H GLU 60 H GLU 60 -7.530 0.723 -14.637 442 HA GLU 60 HA GLU 60 -6.336 -1.749 -15.780 443 HB2 GLU 60 HB3 GLU 60 -5.679 1.061 -16.698 444 HB3 GLU 60 HB2 GLU 60 -4.806 -0.391 -17.180 445 HG2 GLU 60 HG3 GLU 60 -6.881 -1.323 -18.111 446 HG3 GLU 60 HG2 GLU 60 -7.736 0.143 -17.651 447 H LEU 61 H LEU 61 -4.334 -2.262 -14.892 448 HA LEU 61 HA LEU 61 -3.452 -0.508 -12.647 449 HB2 LEU 61 HB3 LEU 61 -2.538 -3.343 -12.944 450 HB3 LEU 61 HB2 LEU 61 -2.846 -2.420 -11.477 451 HG LEU 61 HG LEU 61 -4.928 -3.522 -13.371 452 HD11 LEU 61 HD11 LEU 61 -5.178 -5.252 -11.926 453 HD12 LEU 61 HD12 LEU 61 -4.983 -4.216 -10.512 454 HD13 LEU 61 HD13 LEU 61 -3.563 -4.812 -11.372 455 HD21 LEU 61 HD21 LEU 61 -5.037 -1.416 -11.321 456 HD22 LEU 61 HD22 LEU 61 -6.229 -2.691 -11.086 457 HD23 LEU 61 HD23 LEU 61 -6.188 -1.795 -12.604 458 H SER 62 H SER 62 -1.390 0.349 -12.747 459 HA SER 62 HA SER 62 0.486 -0.788 -14.750 460 HB2 SER 62 HB3 SER 62 1.073 1.858 -14.889 461 HB3 SER 62 HB2 SER 62 -0.025 1.047 -16.000 462 HG SER 62 HG SER 62 -1.729 1.628 -14.560 463 HA PRO 63 HA PRO 63 3.485 -0.556 -11.513 464 HB2 PRO 63 HB2 PRO 63 5.719 0.235 -12.956 465 HB3 PRO 63 HB3 PRO 63 5.116 -1.428 -12.861 466 HG2 PRO 63 HG3 PRO 63 4.775 0.592 -15.007 467 HG3 PRO 63 HG2 PRO 63 4.981 -1.164 -15.125 468 HD2 PRO 63 HD3 PRO 63 2.562 0.043 -15.445 469 HD3 PRO 63 HD2 PRO 63 2.732 -1.590 -14.764 470 H GLU 64 H GLU 64 3.064 2.223 -13.607 471 HA GLU 64 HA GLU 64 4.676 4.116 -12.252 472 HB2 GLU 64 HB3 GLU 64 3.543 4.502 -14.438 473 HB3 GLU 64 HB2 GLU 64 2.016 4.629 -13.578 474 HG2 GLU 64 HG3 GLU 64 2.964 6.489 -12.236 475 HG3 GLU 64 HG2 GLU 64 4.429 6.402 -13.206 476 H HIS 65 H HIS 65 1.479 2.863 -11.512 477 HA HIS 65 HA HIS 65 0.809 4.849 -9.532 478 HB2 HIS 65 HB3 HIS 65 -0.884 3.428 -10.628 479 HB3 HIS 65 HB2 HIS 65 -0.200 2.008 -9.836 480 HD1 HIS 65 HD1 HIS 65 -1.464 5.447 -8.731 481 HD2 HIS 65 HD2 HIS 65 -1.502 1.471 -7.469 482 HE1 HIS 65 HE1 HIS 65 -2.804 5.388 -6.582 483 HE2 HIS 65 HE2 HIS 65 -2.837 2.973 -5.807 484 H PHE 66 H PHE 66 2.715 1.903 -9.398 485 HA PHE 66 HA PHE 66 2.700 2.019 -6.428 486 HB2 PHE 66 HB3 PHE 66 3.787 -0.055 -8.347 487 HB3 PHE 66 HB2 PHE 66 3.864 -0.177 -6.588 488 HD1 PHE 66 HD2 PHE 66 1.842 -0.508 -5.249 489 HD2 PHE 66 HD1 PHE 66 1.659 -0.238 -9.532 490 HE1 PHE 66 HE2 PHE 66 -0.475 -1.389 -5.205 491 HE2 PHE 66 HE1 PHE 66 -0.659 -1.117 -9.488 492 HZ PHE 66 HZ PHE 66 -1.727 -1.693 -7.324 493 H ARG 67 H ARG 67 4.432 3.591 -8.687 494 HA ARG 67 HA ARG 67 7.148 3.004 -8.070 495 HB2 ARG 67 HB3 ARG 67 5.860 5.623 -8.885 496 HB3 ARG 67 HB2 ARG 67 7.599 5.356 -8.819 497 HG2 ARG 67 HG3 ARG 67 5.826 3.520 -10.400 498 HG3 ARG 67 HG2 ARG 67 6.403 5.032 -11.097 499 HD2 ARG 67 HD3 ARG 67 8.753 4.290 -10.474 500 HD3 ARG 67 HD2 ARG 67 8.070 2.711 -10.089 501 HE ARG 67 HE ARG 67 7.149 3.098 -12.624 502 HH11 ARG 67 HH22 ARG 67 10.221 3.505 -11.113 503 HH12 ARG 67 HH21 ARG 67 11.123 3.139 -12.545 504 HH21 ARG 67 HH11 ARG 67 8.310 2.619 -14.504 505 HH22 ARG 67 HH12 ARG 67 10.041 2.638 -14.465 506 H SER 68 H SER 68 4.795 5.071 -6.401 507 HA SER 68 HA SER 68 6.717 5.189 -4.123 508 HB2 SER 68 HB3 SER 68 6.265 7.549 -3.772 509 HB3 SER 68 HB2 SER 68 6.826 7.325 -5.426 510 HG SER 68 HG SER 68 4.320 8.023 -4.447 511 H ILE 69 H ILE 69 5.708 5.383 -2.059 512 HA ILE 69 HA ILE 69 3.174 4.082 -1.795 513 HB ILE 69 HB ILE 69 4.740 5.732 0.209 514 HG12 ILE 69 HG13 ILE 69 4.644 2.737 -0.164 515 HG13 ILE 69 HG12 ILE 69 5.918 3.755 -0.821 516 HG21 ILE 69 HG21 ILE 69 3.265 3.636 1.394 517 HG22 ILE 69 HG22 ILE 69 2.160 4.493 0.321 518 HG23 ILE 69 HG23 ILE 69 3.015 5.370 1.589 519 HD11 ILE 69 HD11 ILE 69 5.529 4.433 1.938 520 HD12 ILE 69 HD12 ILE 69 6.969 3.768 1.167 521 HD13 ILE 69 HD13 ILE 69 5.732 2.686 1.804 522 H ARG 70 H ARG 70 4.152 7.484 -1.745 523 HA ARG 70 HA ARG 70 1.735 8.592 -0.748 524 HB2 ARG 70 HB3 ARG 70 3.714 9.741 -2.737 525 HB3 ARG 70 HB2 ARG 70 2.460 10.671 -1.917 526 HG2 ARG 70 HG3 ARG 70 3.435 9.972 0.275 527 HG3 ARG 70 HG2 ARG 70 4.744 9.177 -0.599 528 HD2 ARG 70 HD3 ARG 70 4.062 12.130 -0.701 529 HD3 ARG 70 HD2 ARG 70 5.461 11.412 0.096 530 HE ARG 70 HE ARG 70 5.131 11.793 -2.799 531 HH11 ARG 70 HH22 ARG 70 6.742 10.231 -0.182 532 HH12 ARG 70 HH21 ARG 70 8.162 9.863 -1.102 533 HH21 ARG 70 HH11 ARG 70 6.977 11.322 -4.015 534 HH22 ARG 70 HH12 ARG 70 8.295 10.480 -3.272 535 H SER 71 H SER 71 2.638 7.632 -4.050 536 HA SER 71 HA SER 71 0.445 8.819 -5.407 537 HB2 SER 71 HB3 SER 71 2.427 7.689 -6.487 538 HB3 SER 71 HB2 SER 71 1.703 6.140 -6.064 539 HG SER 71 HG SER 71 1.157 6.867 -8.190 540 H ILE 72 H ILE 72 0.710 5.591 -3.893 541 HA ILE 72 HA ILE 72 -1.973 4.800 -4.538 542 HB ILE 72 HB ILE 72 -0.148 3.861 -2.306 543 HG12 ILE 72 HG13 ILE 72 -0.606 2.725 -5.084 544 HG13 ILE 72 HG12 ILE 72 0.806 3.674 -4.615 545 HG21 ILE 72 HG21 ILE 72 -2.865 3.258 -2.959 546 HG22 ILE 72 HG22 ILE 72 -1.857 2.540 -1.704 547 HG23 ILE 72 HG23 ILE 72 -1.879 1.844 -3.324 548 HD11 ILE 72 HD11 ILE 72 1.757 1.737 -3.960 549 HD12 ILE 72 HD12 ILE 72 0.236 0.861 -4.126 550 HD13 ILE 72 HD13 ILE 72 0.601 1.719 -2.629 551 H ASP 73 H ASP 73 -0.509 6.337 -1.686 552 HA ASP 73 HA ASP 73 -2.783 6.253 0.008 553 HB2 ASP 73 HB3 ASP 73 -0.445 6.941 0.666 554 HB3 ASP 73 HB2 ASP 73 -0.749 8.493 -0.115 555 H ALA 74 H ALA 74 -1.858 8.636 -2.472 556 HA ALA 74 HA ALA 74 -3.958 10.492 -1.879 557 HB1 ALA 74 HB1 ALA 74 -1.864 10.254 -3.796 558 HB2 ALA 74 HB2 ALA 74 -2.850 11.672 -3.439 559 HB3 ALA 74 HB3 ALA 74 -3.365 10.529 -4.680 560 H PHE 75 H PHE 75 -3.777 7.794 -4.200 561 HA PHE 75 HA PHE 75 -6.371 8.196 -5.324 562 HB2 PHE 75 HB3 PHE 75 -4.632 6.712 -6.305 563 HB3 PHE 75 HB2 PHE 75 -4.895 5.581 -4.979 564 HD1 PHE 75 HD1 PHE 75 -6.442 7.162 -7.948 565 HD2 PHE 75 HD2 PHE 75 -6.851 4.175 -4.889 566 HE1 PHE 75 HE1 PHE 75 -8.361 6.174 -9.170 567 HE2 PHE 75 HE2 PHE 75 -8.769 3.187 -6.110 568 HZ PHE 75 HZ PHE 75 -9.524 4.186 -8.251 569 H VAL 76 H VAL 76 -5.291 6.156 -2.602 570 HA VAL 76 HA VAL 76 -7.868 5.077 -2.018 571 HB VAL 76 HB VAL 76 -5.409 5.510 -0.307 572 HG11 VAL 76 HG11 VAL 76 -8.076 4.250 0.300 573 HG12 VAL 76 HG12 VAL 76 -7.152 5.394 1.272 574 HG13 VAL 76 HG13 VAL 76 -6.612 3.722 1.129 575 HG21 VAL 76 HG21 VAL 76 -5.973 3.710 -2.365 576 HG22 VAL 76 HG22 VAL 76 -6.292 2.788 -0.896 577 HG23 VAL 76 HG23 VAL 76 -4.711 3.528 -1.147 578 H VAL 77 H VAL 77 -6.155 7.950 -0.756 579 HA VAL 77 HA VAL 77 -8.109 8.685 1.172 580 HB VAL 77 HB VAL 77 -6.134 10.317 -0.440 581 HG11 VAL 77 HG11 VAL 77 -6.581 12.051 1.371 582 HG12 VAL 77 HG12 VAL 77 -8.027 11.125 1.770 583 HG13 VAL 77 HG13 VAL 77 -7.857 11.849 0.172 584 HG21 VAL 77 HG21 VAL 77 -4.688 10.016 1.331 585 HG22 VAL 77 HG22 VAL 77 -5.617 8.525 1.496 586 HG23 VAL 77 HG23 VAL 77 -5.992 9.917 2.513 587 H GLY 78 H GLY 78 -7.800 9.500 -2.273 588 HA2 GLY 78 HA3 GLY 78 -9.922 11.373 -2.422 589 HA3 GLY 78 HA2 GLY 78 -9.366 10.385 -3.771 590 H ALA 79 H ALA 79 -9.997 7.832 -2.418 591 HA ALA 79 HA ALA 79 -12.942 7.940 -2.829 592 HB1 ALA 79 HB1 ALA 79 -12.832 5.818 -3.706 593 HB2 ALA 79 HB2 ALA 79 -11.491 5.345 -2.664 594 HB3 ALA 79 HB3 ALA 79 -11.194 6.353 -4.080 595 H THR 80 H THR 80 -10.545 6.363 -0.700 596 HA THR 80 HA THR 80 -12.646 6.343 1.429 597 HB THR 80 HB THR 80 -10.551 4.213 0.978 598 HG1 THR 80 HG1 THR 80 -12.414 4.442 -0.544 599 HG21 THR 80 HG21 THR 80 -12.720 4.672 2.999 600 HG22 THR 80 HG22 THR 80 -11.057 4.145 3.255 601 HG23 THR 80 HG23 THR 80 -12.243 3.025 2.587 602 H THR 81 H THR 81 -11.978 7.066 3.421 603 HA THR 81 HA THR 81 -9.067 7.606 3.776 604 HB THR 81 HB THR 81 -9.987 9.746 3.334 605 HG1 THR 81 HG1 THR 81 -10.358 9.817 6.083 606 HG21 THR 81 HG21 THR 81 -12.062 10.345 4.942 607 HG22 THR 81 HG22 THR 81 -12.334 8.611 4.765 608 HG23 THR 81 HG23 THR 81 -12.276 9.645 3.337 609 HA PRO 82 HA PRO 82 -10.637 5.249 7.401 610 HB2 PRO 82 HB2 PRO 82 -8.568 3.501 7.579 611 HB3 PRO 82 HB3 PRO 82 -9.914 3.274 6.446 612 HG2 PRO 82 HG3 PRO 82 -7.149 4.199 5.937 613 HG3 PRO 82 HG2 PRO 82 -8.239 3.262 4.905 614 HD2 PRO 82 HD3 PRO 82 -7.730 6.015 4.674 615 HD3 PRO 82 HD2 PRO 82 -9.081 5.144 3.918 616 HA PRO 83 HA PRO 83 -8.307 7.285 10.557 617 HB2 PRO 83 HB2 PRO 83 -8.227 5.321 12.514 618 HB3 PRO 83 HB3 PRO 83 -9.613 6.384 12.207 619 HG2 PRO 83 HG3 PRO 83 -9.164 3.570 11.375 620 HG3 PRO 83 HG2 PRO 83 -10.660 4.382 11.866 621 HD2 PRO 83 HD3 PRO 83 -10.078 3.839 9.259 622 HD3 PRO 83 HD2 PRO 83 -11.046 5.247 9.751 623 H VAL 84 H VAL 84 -6.171 7.412 11.438 624 HA VAL 84 HA VAL 84 -4.299 5.353 10.354 625 HB VAL 84 HB VAL 84 -3.716 8.175 11.301 626 HG11 VAL 84 HG11 VAL 84 -1.777 6.712 11.492 627 HG12 VAL 84 HG12 VAL 84 -1.557 7.773 10.101 628 HG13 VAL 84 HG13 VAL 84 -2.043 6.095 9.861 629 HG21 VAL 84 HG21 VAL 84 -3.523 7.327 8.443 630 HG22 VAL 84 HG22 VAL 84 -3.922 8.906 9.118 631 HG23 VAL 84 HG23 VAL 84 -5.133 7.624 9.096 632 H GLU 85 H GLU 85 -3.195 4.085 11.767 633 HA GLU 85 HA GLU 85 -2.793 5.000 14.551 634 HB2 GLU 85 HB3 GLU 85 -4.166 2.397 13.809 635 HB3 GLU 85 HB2 GLU 85 -3.609 2.807 15.431 636 HG2 GLU 85 HG3 GLU 85 -5.645 4.386 13.828 637 HG3 GLU 85 HG2 GLU 85 -6.020 3.290 15.156 638 H ALA 86 H ALA 86 -1.364 4.069 11.891 639 HA ALA 86 HA ALA 86 0.437 2.047 13.138 640 HB1 ALA 86 HB1 ALA 86 0.968 1.311 10.999 641 HB2 ALA 86 HB2 ALA 86 0.658 2.886 10.269 642 HB3 ALA 86 HB3 ALA 86 -0.690 1.855 10.748 643 H LYS 87 H LYS 87 2.720 2.403 13.105 644 HA LYS 87 HA LYS 87 4.648 3.703 13.374 645 HB2 LYS 87 HB3 LYS 87 3.318 5.444 11.271 646 HB3 LYS 87 HB2 LYS 87 5.019 5.487 11.726 647 HG2 LYS 87 HG3 LYS 87 5.211 3.083 11.055 648 HG3 LYS 87 HG2 LYS 87 3.548 3.153 10.473 649 HD2 LYS 87 HD3 LYS 87 4.205 5.033 8.959 650 HD3 LYS 87 HD2 LYS 87 5.878 4.816 9.474 651 HE2 LYS 87 HE3 LYS 87 4.298 3.240 7.577 652 HE3 LYS 87 HE2 LYS 87 6.048 3.326 7.780 653 HZ1 LYS 87 HZ1 LYS 87 4.197 1.774 9.508 654 HZ2 LYS 87 HZ2 LYS 87 5.885 1.830 9.654 655 HZ3 LYS 87 HZ3 LYS 87 5.176 1.119 8.283 656 H LEU 88 H LEU 88 2.680 4.126 15.292 657 HA LEU 88 HA LEU 88 1.866 6.826 15.658 658 HB2 LEU 88 HB3 LEU 88 2.604 4.805 17.799 659 HB3 LEU 88 HB2 LEU 88 1.605 6.240 18.026 660 HG LEU 88 HG LEU 88 0.959 3.877 16.238 661 HD11 LEU 88 HD11 LEU 88 0.688 3.567 18.727 662 HD12 LEU 88 HD12 LEU 88 -0.816 3.429 17.817 663 HD13 LEU 88 HD13 LEU 88 -0.458 4.906 18.711 664 HD21 LEU 88 HD21 LEU 88 -0.060 5.630 15.107 665 HD22 LEU 88 HD22 LEU 88 -0.227 6.609 16.564 666 HD23 LEU 88 HD23 LEU 88 -1.318 5.252 16.284 667 H GLN 89 H GLN 89 4.907 5.184 16.407 668 HA GLN 89 HA GLN 89 6.183 6.973 18.091 669 HB2 GLN 89 HB3 GLN 89 7.346 5.642 15.625 670 HB3 GLN 89 HB2 GLN 89 8.301 6.380 16.912 671 HG2 GLN 89 HG3 GLN 89 7.339 4.825 18.549 672 HG3 GLN 89 HG2 GLN 89 6.333 4.104 17.291 673 HE21 GLN 89 HE22 GLN 89 8.206 2.501 18.715 674 HE22 GLN 89 HE21 GLN 89 9.450 2.042 17.655 675 H1 PN7 101 3HO SAT 38 4.005 -6.649 -13.818 676 H2 PN7 101 1H1 SAT 38 5.157 -5.176 -11.029 677 H3 PN7 101 2H1 SAT 38 3.554 -5.903 -10.945 678 H5 PN7 101 3HE1 SAT 38 4.898 -3.377 -14.050 679 H6 PN7 101 1HE1 SAT 38 4.944 -5.086 -14.482 680 H7 PN7 101 2HE1 SAT 38 5.951 -4.482 -13.167 681 H8 PN7 101 2HE2 SAT 38 3.166 -2.634 -12.767 682 H9 PN7 101 3HE2 SAT 38 4.246 -2.964 -11.413 683 H10 PN7 101 1HE2 SAT 38 2.580 -3.540 -11.372 684 H11 PN7 101 3H SAT 38 1.919 -5.554 -12.693 685 H12 PN7 101 5H SAT 38 0.725 -3.001 -13.755 686 H13 PN7 101 2H6 SAT 38 -0.096 -4.738 -15.853 687 H14 PN7 101 1H6 SAT 38 -1.172 -4.071 -14.626 688 H15 PN7 101 1H7 SAT 38 0.575 -6.527 -14.274 689 H16 PN7 101 2H7 SAT 38 -1.163 -6.549 -14.573 690 H17 PN7 101 9H SAT 38 0.591 -7.099 -11.697 691 H18 PN7 101 2H10 SAT 38 -2.241 -6.869 -10.938 692 H19 PN7 101 1H10 SAT 38 -1.074 -8.002 -10.255 693 H20 PN7 101 1H11 SAT 38 -1.537 -8.567 -13.065 694 H21 PN7 101 2H11 SAT 38 -3.054 -8.576 -12.166 695 H22 PN7 101 2HS1 SAT 38 -1.876 -10.309 -10.485 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -4.501 10.817 6.453 2 H2 MET 1 H2 MET 1 -3.181 11.224 5.464 3 H3 MET 1 H3 MET 1 -3.062 11.379 7.152 4 HA MET 1 HA MET 1 -3.226 8.881 5.568 5 HB2 MET 1 HB3 MET 1 -1.159 10.159 7.363 6 HB3 MET 1 HB2 MET 1 -1.105 8.448 6.939 7 HG2 MET 1 HG3 MET 1 -1.133 9.069 4.534 8 HG3 MET 1 HG2 MET 1 -1.091 10.771 4.994 9 HE1 MET 1 HE1 MET 1 2.156 11.399 6.646 10 HE2 MET 1 HE2 MET 1 1.087 10.471 7.695 11 HE3 MET 1 HE3 MET 1 0.420 11.693 6.603 12 H GLN 2 H GLN 2 -4.725 7.589 6.496 13 HA GLN 2 HA GLN 2 -4.914 7.550 9.479 14 HB2 GLN 2 HB3 GLN 2 -6.866 6.575 7.367 15 HB3 GLN 2 HB2 GLN 2 -7.118 6.459 9.110 16 HG2 GLN 2 HG3 GLN 2 -6.997 8.908 9.305 17 HG3 GLN 2 HG2 GLN 2 -6.713 9.040 7.569 18 HE21 GLN 2 HE22 GLN 2 -8.986 10.292 8.733 19 HE22 GLN 2 HE21 GLN 2 -10.385 9.484 8.209 20 H HIS 3 H HIS 3 -4.504 5.608 10.555 21 HA HIS 3 HA HIS 3 -3.398 3.533 10.792 22 HB2 HIS 3 HB3 HIS 3 -5.636 3.136 8.836 23 HB3 HIS 3 HB2 HIS 3 -4.518 1.802 9.122 24 HD1 HIS 3 HD1 HIS 3 -6.138 0.353 10.490 25 HD2 HIS 3 HD2 HIS 3 -5.647 4.186 12.062 26 HE1 HIS 3 HE1 HIS 3 -7.224 0.334 12.780 27 HE2 HIS 3 HE2 HIS 3 -6.930 2.661 13.745 28 H ALA 4 H ALA 4 -2.196 5.456 8.895 29 HA ALA 4 HA ALA 4 -1.350 4.206 6.486 30 HB1 ALA 4 HB1 ALA 4 -0.563 6.315 6.324 31 HB2 ALA 4 HB2 ALA 4 0.803 5.775 7.299 32 HB3 ALA 4 HB3 ALA 4 -0.588 6.533 8.074 33 H SER 5 H SER 5 -0.034 4.056 9.780 34 HA SER 5 HA SER 5 2.378 2.683 9.156 35 HB2 SER 5 HB3 SER 5 0.688 2.358 11.651 36 HB3 SER 5 HB2 SER 5 2.407 2.007 11.496 37 HG SER 5 HG SER 5 2.430 4.020 12.252 38 H VAL 6 H VAL 6 -0.902 1.473 9.758 39 HA VAL 6 HA VAL 6 -0.205 -1.310 9.726 40 HB VAL 6 HB VAL 6 -2.788 0.108 9.059 41 HG11 VAL 6 HG11 VAL 6 -3.796 -2.185 9.417 42 HG12 VAL 6 HG12 VAL 6 -2.160 -2.840 9.357 43 HG13 VAL 6 HG13 VAL 6 -2.839 -2.032 7.943 44 HG21 VAL 6 HG21 VAL 6 -2.170 0.380 11.375 45 HG22 VAL 6 HG22 VAL 6 -1.732 -1.323 11.510 46 HG23 VAL 6 HG23 VAL 6 -3.422 -0.860 11.312 47 H ILE 7 H ILE 7 -1.158 0.972 7.201 48 HA ILE 7 HA ILE 7 -1.371 -0.869 5.052 49 HB ILE 7 HB ILE 7 -0.413 2.007 5.002 50 HG12 ILE 7 HG13 ILE 7 -3.191 0.851 4.589 51 HG13 ILE 7 HG12 ILE 7 -2.646 1.617 6.081 52 HG21 ILE 7 HG21 ILE 7 0.101 0.875 2.909 53 HG22 ILE 7 HG22 ILE 7 -1.295 1.922 2.653 54 HG23 ILE 7 HG23 ILE 7 -1.519 0.183 2.844 55 HD11 ILE 7 HD11 ILE 7 -1.956 3.562 4.378 56 HD12 ILE 7 HD12 ILE 7 -3.578 3.458 5.059 57 HD13 ILE 7 HD13 ILE 7 -3.263 2.848 3.435 58 H ALA 8 H ALA 8 1.447 0.996 6.197 59 HA ALA 8 HA ALA 8 3.276 -0.026 4.249 60 HB1 ALA 8 HB1 ALA 8 5.016 0.611 6.035 61 HB2 ALA 8 HB2 ALA 8 3.646 1.154 7.003 62 HB3 ALA 8 HB3 ALA 8 3.975 1.904 5.441 63 H GLN 9 H GLN 9 2.637 -1.058 7.606 64 HA GLN 9 HA GLN 9 4.442 -3.295 7.449 65 HB2 GLN 9 HB3 GLN 9 3.881 -3.697 9.633 66 HB3 GLN 9 HB2 GLN 9 3.280 -2.046 9.518 67 HG2 GLN 9 HG3 GLN 9 1.474 -3.210 10.465 68 HG3 GLN 9 HG2 GLN 9 1.057 -3.143 8.757 69 HE21 GLN 9 HE22 GLN 9 -0.044 -5.140 8.494 70 HE22 GLN 9 HE21 GLN 9 0.651 -6.649 8.839 71 H PHE 10 H PHE 10 1.016 -2.892 6.735 72 HA PHE 10 HA PHE 10 0.372 -5.675 6.544 73 HB2 PHE 10 HB3 PHE 10 -1.323 -3.862 6.655 74 HB3 PHE 10 HB2 PHE 10 -0.855 -3.353 5.033 75 HD1 PHE 10 HD1 PHE 10 -2.385 -6.080 7.021 76 HD2 PHE 10 HD2 PHE 10 -1.523 -4.596 3.083 77 HE1 PHE 10 HE1 PHE 10 -3.910 -7.776 6.047 78 HE2 PHE 10 HE2 PHE 10 -3.048 -6.292 2.110 79 HZ PHE 10 HZ PHE 10 -4.241 -7.880 3.592 80 H VAL 11 H VAL 11 1.245 -3.332 3.987 81 HA VAL 11 HA VAL 11 1.334 -5.381 1.946 82 HB VAL 11 HB VAL 11 2.337 -3.595 0.557 83 HG11 VAL 11 HG11 VAL 11 -0.183 -3.767 1.234 84 HG12 VAL 11 HG12 VAL 11 0.386 -2.304 0.429 85 HG13 VAL 11 HG13 VAL 11 0.153 -2.316 2.178 86 HG21 VAL 11 HG21 VAL 11 3.709 -2.228 1.775 87 HG22 VAL 11 HG22 VAL 11 2.751 -2.413 3.244 88 HG23 VAL 11 HG23 VAL 11 2.229 -1.293 1.986 89 H VAL 12 H VAL 12 3.797 -3.739 3.922 90 HA VAL 12 HA VAL 12 6.058 -4.917 2.623 91 HB VAL 12 HB VAL 12 5.775 -3.964 5.479 92 HG11 VAL 12 HG11 VAL 12 7.755 -5.434 5.061 93 HG12 VAL 12 HG12 VAL 12 8.210 -3.777 5.449 94 HG13 VAL 12 HG13 VAL 12 8.257 -4.337 3.777 95 HG21 VAL 12 HG21 VAL 12 6.236 -1.829 4.731 96 HG22 VAL 12 HG22 VAL 12 5.386 -2.438 3.311 97 HG23 VAL 12 HG23 VAL 12 7.149 -2.406 3.337 98 H GLU 13 H GLU 13 4.004 -6.026 5.284 99 HA GLU 13 HA GLU 13 5.571 -8.173 6.216 100 HB2 GLU 13 HB3 GLU 13 3.436 -7.435 7.254 101 HB3 GLU 13 HB2 GLU 13 2.569 -8.162 5.907 102 HG2 GLU 13 HG3 GLU 13 3.602 -10.356 6.462 103 HG3 GLU 13 HG2 GLU 13 4.361 -9.605 7.863 104 H GLU 14 H GLU 14 3.492 -7.984 3.368 105 HA GLU 14 HA GLU 14 3.598 -10.781 2.728 106 HB2 GLU 14 HB3 GLU 14 3.160 -8.348 0.980 107 HB3 GLU 14 HB2 GLU 14 2.953 -10.008 0.424 108 HG2 GLU 14 HG3 GLU 14 1.468 -8.758 2.755 109 HG3 GLU 14 HG2 GLU 14 0.801 -8.986 1.139 110 H PHE 15 H PHE 15 5.772 -8.083 2.082 111 HA PHE 15 HA PHE 15 7.709 -10.052 0.944 112 HB2 PHE 15 HB3 PHE 15 7.836 -7.308 -0.160 113 HB3 PHE 15 HB2 PHE 15 8.058 -8.859 -0.968 114 HD1 PHE 15 HD1 PHE 15 6.122 -10.148 -1.787 115 HD2 PHE 15 HD2 PHE 15 5.644 -6.298 0.056 116 HE1 PHE 15 HE1 PHE 15 3.807 -10.015 -2.665 117 HE2 PHE 15 HE2 PHE 15 3.329 -6.166 -0.818 118 HZ PHE 15 HZ PHE 15 2.410 -8.023 -2.182 119 H LEU 16 H LEU 16 7.682 -9.133 3.645 120 HA LEU 16 HA LEU 16 9.550 -6.915 3.852 121 HB2 LEU 16 HB3 LEU 16 9.114 -6.921 6.088 122 HB3 LEU 16 HB2 LEU 16 7.715 -7.831 5.570 123 HG LEU 16 HG LEU 16 10.310 -9.034 6.590 124 HD11 LEU 16 HD11 LEU 16 8.264 -9.798 8.259 125 HD12 LEU 16 HD12 LEU 16 7.828 -8.134 7.869 126 HD13 LEU 16 HD13 LEU 16 9.401 -8.489 8.583 127 HD21 LEU 16 HD21 LEU 16 9.524 -11.080 5.973 128 HD22 LEU 16 HD22 LEU 16 8.445 -10.200 4.895 129 HD23 LEU 16 HD23 LEU 16 7.884 -10.690 6.489 130 HA PRO 17 HA PRO 17 13.115 -9.603 3.440 131 HB2 PRO 17 HB2 PRO 17 15.056 -7.751 3.904 132 HB3 PRO 17 HB3 PRO 17 14.128 -7.783 2.395 133 HG2 PRO 17 HG3 PRO 17 13.796 -6.032 4.780 134 HG3 PRO 17 HG2 PRO 17 13.696 -5.626 3.059 135 HD2 PRO 17 HD3 PRO 17 11.496 -6.039 4.651 136 HD3 PRO 17 HD2 PRO 17 11.509 -6.304 2.894 137 H ASP 18 H ASP 18 15.467 -8.940 5.114 138 HA ASP 18 HA ASP 18 14.601 -10.250 7.566 139 HB2 ASP 18 HB3 ASP 18 16.970 -10.157 8.176 140 HB3 ASP 18 HB2 ASP 18 16.814 -10.705 6.510 141 H VAL 19 H VAL 19 13.986 -7.288 6.623 142 HA VAL 19 HA VAL 19 14.700 -5.986 9.223 143 HB VAL 19 HB VAL 19 13.942 -4.661 6.605 144 HG11 VAL 19 HG11 VAL 19 15.132 -2.721 7.868 145 HG12 VAL 19 HG12 VAL 19 14.844 -3.691 9.312 146 HG13 VAL 19 HG13 VAL 19 13.484 -3.135 8.337 147 HG21 VAL 19 HG21 VAL 19 16.034 -5.547 6.092 148 HG22 VAL 19 HG22 VAL 19 16.573 -5.517 7.771 149 HG23 VAL 19 HG23 VAL 19 16.503 -4.020 6.840 150 H ALA 20 H ALA 20 13.025 -5.243 10.498 151 HA ALA 20 HA ALA 20 10.333 -6.092 9.888 152 HB1 ALA 20 HB1 ALA 20 10.951 -4.018 11.968 153 HB2 ALA 20 HB2 ALA 20 11.495 -5.678 12.206 154 HB3 ALA 20 HB3 ALA 20 9.776 -5.331 12.026 155 HA PRO 21 HA PRO 21 9.025 -2.665 7.311 156 HB2 PRO 21 HB2 PRO 21 6.532 -2.693 8.946 157 HB3 PRO 21 HB3 PRO 21 6.727 -2.769 7.186 158 HG2 PRO 21 HG3 PRO 21 6.093 -4.916 8.673 159 HG3 PRO 21 HG2 PRO 21 7.041 -5.021 7.182 160 HD2 PRO 21 HD3 PRO 21 7.928 -5.379 9.983 161 HD3 PRO 21 HD2 PRO 21 8.656 -5.969 8.472 162 H ALA 22 H ALA 22 8.670 -2.542 10.812 163 HA ALA 22 HA ALA 22 8.260 0.327 10.955 164 HB1 ALA 22 HB1 ALA 22 9.262 -0.334 13.403 165 HB2 ALA 22 HB2 ALA 22 8.688 -1.908 12.850 166 HB3 ALA 22 HB3 ALA 22 7.570 -0.547 12.950 167 H ASP 23 H ASP 23 10.975 -1.658 10.377 168 HA ASP 23 HA ASP 23 12.858 0.479 11.246 169 HB2 ASP 23 HB3 ASP 23 13.323 -2.426 10.517 170 HB3 ASP 23 HB2 ASP 23 14.608 -1.286 10.917 171 H VAL 24 H VAL 24 11.137 -0.024 8.607 172 HA VAL 24 HA VAL 24 13.406 0.308 6.696 173 HB VAL 24 HB VAL 24 11.464 -1.424 6.376 174 HG11 VAL 24 HG11 VAL 24 9.438 -0.630 5.509 175 HG12 VAL 24 HG12 VAL 24 10.126 0.935 5.074 176 HG13 VAL 24 HG13 VAL 24 9.795 0.556 6.763 177 HG21 VAL 24 HG21 VAL 24 12.473 0.514 4.281 178 HG22 VAL 24 HG22 VAL 24 11.510 -0.905 3.870 179 HG23 VAL 24 HG23 VAL 24 13.082 -1.101 4.645 180 H ASP 25 H ASP 25 13.569 2.198 5.476 181 HA ASP 25 HA ASP 25 12.291 4.553 6.567 182 HB2 ASP 25 HB3 ASP 25 13.962 4.140 4.070 183 HB3 ASP 25 HB2 ASP 25 13.439 5.718 4.660 184 H VAL 26 H VAL 26 10.018 4.091 6.269 185 HA VAL 26 HA VAL 26 8.836 3.476 3.737 186 HB VAL 26 HB VAL 26 6.735 4.210 4.745 187 HG11 VAL 26 HG11 VAL 26 7.483 3.136 7.214 188 HG12 VAL 26 HG12 VAL 26 8.646 2.455 6.076 189 HG13 VAL 26 HG13 VAL 26 6.917 2.228 5.812 190 HG21 VAL 26 HG21 VAL 26 7.360 6.295 5.747 191 HG22 VAL 26 HG22 VAL 26 8.588 5.522 6.749 192 HG23 VAL 26 HG23 VAL 26 6.878 5.242 7.078 193 H ASP 27 H ASP 27 10.681 6.070 4.402 194 HA ASP 27 HA ASP 27 9.010 8.074 2.997 195 HB2 ASP 27 HB3 ASP 27 11.777 8.238 4.235 196 HB3 ASP 27 HB2 ASP 27 10.964 9.587 3.441 197 H LEU 28 H LEU 28 10.765 5.525 2.062 198 HA LEU 28 HA LEU 28 12.199 6.853 -0.170 199 HB2 LEU 28 HB3 LEU 28 13.321 5.036 1.118 200 HB3 LEU 28 HB2 LEU 28 12.068 3.919 0.584 201 HG LEU 28 HG LEU 28 12.928 5.142 -1.772 202 HD11 LEU 28 HD11 LEU 28 15.367 4.316 -0.189 203 HD12 LEU 28 HD12 LEU 28 14.861 5.999 -0.340 204 HD13 LEU 28 HD13 LEU 28 15.313 5.082 -1.777 205 HD21 LEU 28 HD21 LEU 28 12.349 2.807 -1.621 206 HD22 LEU 28 HD22 LEU 28 13.643 2.504 -0.461 207 HD23 LEU 28 HD23 LEU 28 14.034 2.886 -2.138 208 H ASP 29 H ASP 29 11.512 6.673 -2.298 209 HA ASP 29 HA ASP 29 8.778 6.055 -2.813 210 HB2 ASP 29 HB3 ASP 29 11.150 6.192 -4.703 211 HB3 ASP 29 HB2 ASP 29 9.470 6.088 -5.229 212 H LEU 30 H LEU 30 7.858 4.069 -2.869 213 HA LEU 30 HA LEU 30 9.408 1.673 -2.639 214 HB2 LEU 30 HB3 LEU 30 7.294 0.501 -2.768 215 HB3 LEU 30 HB2 LEU 30 7.046 1.971 -1.826 216 HG LEU 30 HG LEU 30 6.606 2.767 -4.470 217 HD11 LEU 30 HD11 LEU 30 5.007 0.254 -3.976 218 HD12 LEU 30 HD12 LEU 30 6.516 0.215 -4.887 219 HD13 LEU 30 HD13 LEU 30 5.161 1.179 -5.468 220 HD21 LEU 30 HD21 LEU 30 5.375 3.538 -2.496 221 HD22 LEU 30 HD22 LEU 30 4.650 1.942 -2.302 222 HD23 LEU 30 HD23 LEU 30 4.243 2.932 -3.704 223 H VAL 31 H VAL 31 9.333 3.574 -5.243 224 HA VAL 31 HA VAL 31 8.562 2.025 -7.452 225 HB VAL 31 HB VAL 31 9.544 4.410 -7.416 226 HG11 VAL 31 HG11 VAL 31 11.899 4.659 -7.595 227 HG12 VAL 31 HG12 VAL 31 12.143 2.931 -7.848 228 HG13 VAL 31 HG13 VAL 31 11.670 3.531 -6.259 229 HG21 VAL 31 HG21 VAL 31 10.276 4.217 -9.726 230 HG22 VAL 31 HG22 VAL 31 8.941 3.092 -9.472 231 HG23 VAL 31 HG23 VAL 31 10.600 2.496 -9.520 232 H ASP 32 H ASP 32 11.521 1.824 -5.517 233 HA ASP 32 HA ASP 32 12.885 -0.084 -7.154 234 HB2 ASP 32 HB3 ASP 32 14.186 -0.612 -5.153 235 HB3 ASP 32 HB2 ASP 32 13.928 1.131 -5.221 236 H ASN 33 H ASN 33 10.359 -0.335 -4.745 237 HA ASN 33 HA ASN 33 10.336 -3.274 -4.840 238 HB2 ASN 33 HB3 ASN 33 8.442 -1.344 -3.487 239 HB3 ASN 33 HB2 ASN 33 8.492 -3.087 -3.239 240 HD21 ASN 33 HD22 ASN 33 9.274 -0.467 -1.590 241 HD22 ASN 33 HD21 ASN 33 10.733 -0.936 -0.864 242 H GLY 34 H GLY 34 9.640 -1.260 -7.112 243 HA2 GLY 34 HA3 GLY 34 6.986 -1.214 -7.838 244 HA3 GLY 34 HA2 GLY 34 8.266 -1.502 -9.018 245 H VAL 35 H VAL 35 8.857 -4.012 -7.236 246 HA VAL 35 HA VAL 35 7.618 -5.938 -8.918 247 HB VAL 35 HB VAL 35 8.636 -6.167 -6.069 248 HG11 VAL 35 HG11 VAL 35 7.543 -8.150 -6.034 249 HG12 VAL 35 HG12 VAL 35 8.736 -8.687 -7.216 250 HG13 VAL 35 HG13 VAL 35 7.176 -8.069 -7.757 251 HG21 VAL 35 HG21 VAL 35 10.099 -5.653 -8.236 252 HG22 VAL 35 HG22 VAL 35 9.930 -7.392 -8.475 253 HG23 VAL 35 HG23 VAL 35 10.670 -6.773 -6.999 254 H ILE 36 H ILE 36 6.562 -4.435 -5.911 255 HA ILE 36 HA ILE 36 4.241 -6.097 -5.498 256 HB ILE 36 HB ILE 36 5.457 -4.444 -3.868 257 HG12 ILE 36 HG13 ILE 36 2.428 -4.598 -4.055 258 HG13 ILE 36 HG12 ILE 36 3.478 -5.772 -3.266 259 HG21 ILE 36 HG21 ILE 36 4.947 -2.556 -5.593 260 HG22 ILE 36 HG22 ILE 36 4.722 -2.205 -3.879 261 HG23 ILE 36 HG23 ILE 36 3.327 -2.574 -4.895 262 HD11 ILE 36 HD11 ILE 36 3.218 -2.859 -2.468 263 HD12 ILE 36 HD12 ILE 36 4.232 -4.063 -1.671 264 HD13 ILE 36 HD13 ILE 36 2.476 -4.216 -1.627 265 H ASP 37 H ASP 37 4.904 -3.329 -7.495 266 HA ASP 37 HA ASP 37 2.320 -2.255 -7.813 267 HB2 ASP 37 HB3 ASP 37 4.564 -2.448 -9.834 268 HB3 ASP 37 HB2 ASP 37 3.132 -1.441 -10.027 269 H SER 38 H SER 38 3.712 -5.135 -9.344 270 HA SER 38 HA SER 38 1.138 -5.450 -10.833 271 HB2 SER 38 2HB SER 38 3.661 -5.441 -11.853 272 HB3 SER 38 1HB SER 38 3.412 -7.163 -11.588 273 H LEU 39 H LEU 39 3.654 -7.668 -9.567 274 HA LEU 39 HA LEU 39 1.809 -9.835 -9.300 275 HB2 LEU 39 HB3 LEU 39 4.497 -9.357 -8.014 276 HB3 LEU 39 HB2 LEU 39 3.615 -10.875 -7.897 277 HG LEU 39 HG LEU 39 3.553 -10.469 -10.589 278 HD11 LEU 39 HD11 LEU 39 4.944 -8.465 -10.494 279 HD12 LEU 39 HD12 LEU 39 5.857 -9.773 -11.245 280 HD13 LEU 39 HD13 LEU 39 6.171 -9.329 -9.567 281 HD21 LEU 39 HD21 LEU 39 4.215 -12.565 -9.682 282 HD22 LEU 39 HD22 LEU 39 5.586 -11.852 -8.833 283 HD23 LEU 39 HD23 LEU 39 5.619 -12.003 -10.590 284 H GLY 40 H GLY 40 3.241 -7.716 -6.819 285 HA2 GLY 40 HA3 GLY 40 1.628 -8.819 -4.697 286 HA3 GLY 40 HA2 GLY 40 2.548 -7.321 -4.615 287 H LEU 41 H LEU 41 1.319 -6.012 -6.833 288 HA LEU 41 HA LEU 41 -0.902 -4.788 -5.562 289 HB2 LEU 41 HB3 LEU 41 0.429 -3.801 -7.457 290 HB3 LEU 41 HB2 LEU 41 -0.390 -4.919 -8.547 291 HG LEU 41 HG LEU 41 -2.561 -3.909 -7.408 292 HD11 LEU 41 HD11 LEU 41 -2.303 -1.587 -6.778 293 HD12 LEU 41 HD12 LEU 41 -0.591 -1.621 -7.198 294 HD13 LEU 41 HD13 LEU 41 -1.178 -2.542 -5.815 295 HD21 LEU 41 HD21 LEU 41 -1.997 -3.778 -9.807 296 HD22 LEU 41 HD22 LEU 41 -0.909 -2.429 -9.480 297 HD23 LEU 41 HD23 LEU 41 -2.646 -2.242 -9.233 298 H LEU 42 H LEU 42 -0.759 -7.373 -7.996 299 HA LEU 42 HA LEU 42 -3.565 -7.610 -8.413 300 HB2 LEU 42 HB3 LEU 42 -1.791 -8.780 -9.761 301 HB3 LEU 42 HB2 LEU 42 -1.540 -9.868 -8.404 302 HG LEU 42 HG LEU 42 -4.144 -10.219 -8.576 303 HD11 LEU 42 HD11 LEU 42 -4.540 -8.512 -10.264 304 HD12 LEU 42 HD12 LEU 42 -4.867 -10.097 -10.964 305 HD13 LEU 42 HD13 LEU 42 -3.361 -9.260 -11.338 306 HD21 LEU 42 HD21 LEU 42 -3.647 -11.987 -10.401 307 HD22 LEU 42 HD22 LEU 42 -2.719 -12.084 -8.904 308 HD23 LEU 42 HD23 LEU 42 -1.992 -11.380 -10.349 309 H LYS 43 H LYS 43 -1.416 -9.103 -6.004 310 HA LYS 43 HA LYS 43 -3.460 -10.656 -4.722 311 HB2 LYS 43 HB3 LYS 43 -0.852 -9.551 -3.666 312 HB3 LYS 43 HB2 LYS 43 -1.846 -10.734 -2.824 313 HG2 LYS 43 HG3 LYS 43 -1.645 -12.248 -4.801 314 HG3 LYS 43 HG2 LYS 43 -0.544 -11.083 -5.537 315 HD2 LYS 43 HD3 LYS 43 0.945 -11.293 -3.542 316 HD3 LYS 43 HD2 LYS 43 -0.123 -12.551 -2.918 317 HE2 LYS 43 HE3 LYS 43 0.449 -14.061 -4.610 318 HE3 LYS 43 HE2 LYS 43 0.995 -12.786 -5.699 319 HZ1 LYS 43 HZ1 LYS 43 2.400 -14.081 -3.499 320 HZ2 LYS 43 HZ2 LYS 43 2.681 -12.422 -3.706 321 HZ3 LYS 43 HZ3 LYS 43 2.997 -13.500 -4.980 322 H VAL 44 H VAL 44 -2.245 -7.361 -4.248 323 HA VAL 44 HA VAL 44 -3.689 -6.815 -1.832 324 HB VAL 44 HB VAL 44 -2.685 -4.976 -4.017 325 HG11 VAL 44 HG11 VAL 44 -3.991 -3.419 -3.016 326 HG12 VAL 44 HG12 VAL 44 -2.860 -3.521 -1.667 327 HG13 VAL 44 HG13 VAL 44 -4.342 -4.477 -1.649 328 HG21 VAL 44 HG21 VAL 44 -1.275 -6.502 -2.228 329 HG22 VAL 44 HG22 VAL 44 -1.475 -5.001 -1.323 330 HG23 VAL 44 HG23 VAL 44 -0.696 -4.980 -2.905 331 H ILE 45 H ILE 45 -4.509 -6.087 -5.242 332 HA ILE 45 HA ILE 45 -7.017 -4.874 -4.673 333 HB ILE 45 HB ILE 45 -6.177 -6.447 -7.127 334 HG12 ILE 45 HG13 ILE 45 -4.622 -4.622 -6.724 335 HG13 ILE 45 HG12 ILE 45 -5.688 -4.158 -8.045 336 HG21 ILE 45 HG21 ILE 45 -8.414 -4.496 -6.583 337 HG22 ILE 45 HG22 ILE 45 -8.546 -6.163 -7.141 338 HG23 ILE 45 HG23 ILE 45 -7.888 -4.924 -8.210 339 HD11 ILE 45 HD11 ILE 45 -5.732 -2.240 -6.724 340 HD12 ILE 45 HD12 ILE 45 -5.622 -3.151 -5.218 341 HD13 ILE 45 HD13 ILE 45 -7.141 -3.108 -6.115 342 H ALA 46 H ALA 46 -6.159 -8.273 -5.295 343 HA ALA 46 HA ALA 46 -8.855 -9.254 -5.270 344 HB1 ALA 46 HB1 ALA 46 -6.145 -10.483 -4.845 345 HB2 ALA 46 HB2 ALA 46 -7.315 -10.790 -6.130 346 HB3 ALA 46 HB3 ALA 46 -7.594 -11.432 -4.511 347 H TRP 47 H TRP 47 -6.405 -8.940 -2.702 348 HA TRP 47 HA TRP 47 -8.131 -10.014 -0.639 349 HB2 TRP 47 HB3 TRP 47 -5.942 -10.165 0.052 350 HB3 TRP 47 HB2 TRP 47 -5.473 -8.672 -0.760 351 HD1 TRP 47 HD1 TRP 47 -7.165 -9.942 2.434 352 HE1 TRP 47 HE1 TRP 47 -7.104 -8.058 4.193 353 HE3 TRP 47 HE3 TRP 47 -5.308 -6.137 -0.408 354 HZ2 TRP 47 HZ2 TRP 47 -6.363 -5.296 4.368 355 HZ3 TRP 47 HZ3 TRP 47 -4.931 -3.896 0.569 356 HH2 TRP 47 HH2 TRP 47 -5.455 -3.471 2.950 357 H LEU 48 H LEU 48 -7.307 -6.751 -1.755 358 HA LEU 48 HA LEU 48 -8.620 -5.283 0.277 359 HB2 LEU 48 HB3 LEU 48 -7.128 -4.344 -1.527 360 HB3 LEU 48 HB2 LEU 48 -8.457 -4.545 -2.656 361 HG LEU 48 HG LEU 48 -9.824 -3.191 -0.898 362 HD11 LEU 48 HD11 LEU 48 -7.459 -3.346 0.474 363 HD12 LEU 48 HD12 LEU 48 -8.692 -2.117 0.753 364 HD13 LEU 48 HD13 LEU 48 -7.319 -1.768 -0.296 365 HD21 LEU 48 HD21 LEU 48 -7.928 -2.347 -3.008 366 HD22 LEU 48 HD22 LEU 48 -8.458 -1.063 -1.921 367 HD23 LEU 48 HD23 LEU 48 -9.647 -1.992 -2.835 368 H GLU 49 H GLU 49 -9.877 -6.676 -2.753 369 HA GLU 49 HA GLU 49 -12.509 -5.589 -2.550 370 HB2 GLU 49 HB3 GLU 49 -11.856 -6.562 -4.636 371 HB3 GLU 49 HB2 GLU 49 -11.455 -8.094 -3.878 372 HG2 GLU 49 HG3 GLU 49 -13.795 -8.494 -3.353 373 HG3 GLU 49 HG2 GLU 49 -14.239 -6.916 -3.982 374 H ASP 50 H ASP 50 -11.061 -8.522 -1.181 375 HA ASP 50 HA ASP 50 -13.466 -9.688 -0.213 376 HB2 ASP 50 HB3 ASP 50 -11.184 -10.767 -0.249 377 HB3 ASP 50 HB2 ASP 50 -10.782 -9.791 1.162 378 H ARG 51 H ARG 51 -11.354 -7.215 1.204 379 HA ARG 51 HA ARG 51 -12.795 -7.138 3.715 380 HB2 ARG 51 HB3 ARG 51 -10.820 -5.236 2.443 381 HB3 ARG 51 HB2 ARG 51 -11.472 -5.033 4.066 382 HG2 ARG 51 HG3 ARG 51 -10.628 -7.324 4.635 383 HG3 ARG 51 HG2 ARG 51 -9.853 -7.382 3.051 384 HD2 ARG 51 HD3 ARG 51 -8.196 -6.640 4.645 385 HD3 ARG 51 HD2 ARG 51 -8.645 -5.251 3.654 386 HE ARG 51 HE ARG 51 -9.530 -4.242 5.590 387 HH11 ARG 51 HH22 ARG 51 -9.158 -7.649 5.962 388 HH12 ARG 51 HH21 ARG 51 -9.586 -7.647 7.640 389 HH21 ARG 51 HH11 ARG 51 -10.091 -4.220 7.780 390 HH22 ARG 51 HH12 ARG 51 -10.115 -5.706 8.669 391 H PHE 52 H PHE 52 -12.827 -4.986 0.825 392 HA PHE 52 HA PHE 52 -15.137 -3.572 2.063 393 HB2 PHE 52 HB3 PHE 52 -13.307 -2.821 -0.228 394 HB3 PHE 52 HB2 PHE 52 -14.667 -1.850 0.324 395 HD1 PHE 52 HD2 PHE 52 -14.668 -0.863 2.611 396 HD2 PHE 52 HD1 PHE 52 -11.255 -2.934 1.025 397 HE1 PHE 52 HE2 PHE 52 -13.245 0.125 4.386 398 HE2 PHE 52 HE1 PHE 52 -9.832 -1.947 2.800 399 HZ PHE 52 HZ PHE 52 -10.826 -0.417 4.480 400 H GLY 53 H GLY 53 -14.524 -5.980 -0.220 401 HA2 GLY 53 HA3 GLY 53 -15.983 -7.026 -1.747 402 HA3 GLY 53 HA2 GLY 53 -17.276 -6.031 -1.075 403 H ILE 54 H ILE 54 -14.327 -4.667 -2.436 404 HA ILE 54 HA ILE 54 -16.010 -3.266 -4.445 405 HB ILE 54 HB ILE 54 -13.102 -2.848 -3.691 406 HG12 ILE 54 HG13 ILE 54 -15.523 -1.188 -2.938 407 HG13 ILE 54 HG12 ILE 54 -14.833 -2.419 -1.881 408 HG21 ILE 54 HG21 ILE 54 -13.556 -2.020 -5.923 409 HG22 ILE 54 HG22 ILE 54 -13.494 -0.637 -4.831 410 HG23 ILE 54 HG23 ILE 54 -15.051 -1.256 -5.382 411 HD11 ILE 54 HD11 ILE 54 -13.241 -0.113 -3.030 412 HD12 ILE 54 HD12 ILE 54 -12.717 -1.258 -1.795 413 HD13 ILE 54 HD13 ILE 54 -13.985 -0.087 -1.431 414 H ALA 55 H ALA 55 -15.778 -3.612 -6.643 415 HA ALA 55 HA ALA 55 -14.645 -6.052 -7.566 416 HB1 ALA 55 HB1 ALA 55 -14.748 -4.088 -9.682 417 HB2 ALA 55 HB2 ALA 55 -16.183 -3.951 -8.666 418 HB3 ALA 55 HB3 ALA 55 -15.785 -5.492 -9.426 419 H ALA 56 H ALA 56 -12.670 -6.516 -8.523 420 HA ALA 56 HA ALA 56 -10.407 -4.978 -7.742 421 HB1 ALA 56 HB1 ALA 56 -10.700 -7.114 -9.872 422 HB2 ALA 56 HB2 ALA 56 -10.186 -7.351 -8.201 423 HB3 ALA 56 HB3 ALA 56 -9.152 -6.470 -9.326 424 H ASP 57 H ASP 57 -12.291 -5.032 -10.730 425 HA ASP 57 HA ASP 57 -10.427 -3.112 -11.992 426 HB2 ASP 57 HB3 ASP 57 -12.928 -4.474 -13.001 427 HB3 ASP 57 HB2 ASP 57 -11.968 -3.346 -13.955 428 H ASP 58 H ASP 58 -12.796 -2.814 -9.774 429 HA ASP 58 HA ASP 58 -14.587 -0.873 -10.781 430 HB2 ASP 58 HB3 ASP 58 -14.699 -2.000 -8.521 431 HB3 ASP 58 HB2 ASP 58 -13.437 -0.891 -7.990 432 H VAL 59 H VAL 59 -11.329 -0.488 -9.438 433 HA VAL 59 HA VAL 59 -11.315 2.289 -10.542 434 HB VAL 59 HB VAL 59 -9.986 1.393 -7.979 435 HG11 VAL 59 HG11 VAL 59 -10.373 4.240 -8.362 436 HG12 VAL 59 HG12 VAL 59 -9.449 3.551 -9.697 437 HG13 VAL 59 HG13 VAL 59 -8.882 3.356 -8.038 438 HG21 VAL 59 HG21 VAL 59 -12.059 1.636 -7.096 439 HG22 VAL 59 HG22 VAL 59 -12.683 2.368 -8.574 440 HG23 VAL 59 HG23 VAL 59 -11.846 3.363 -7.383 441 H GLU 60 H GLU 60 -9.527 2.752 -11.792 442 HA GLU 60 HA GLU 60 -7.478 0.595 -12.009 443 HB2 GLU 60 HB3 GLU 60 -8.685 1.224 -14.089 444 HB3 GLU 60 HB2 GLU 60 -8.073 2.866 -13.923 445 HG2 GLU 60 HG3 GLU 60 -5.767 2.006 -14.003 446 HG3 GLU 60 HG2 GLU 60 -6.391 0.375 -14.207 447 H LEU 61 H LEU 61 -5.406 1.002 -11.405 448 HA LEU 61 HA LEU 61 -4.717 3.807 -10.651 449 HB2 LEU 61 HB3 LEU 61 -3.486 1.250 -9.592 450 HB3 LEU 61 HB2 LEU 61 -3.238 2.882 -8.977 451 HG LEU 61 HG LEU 61 -5.811 1.300 -8.931 452 HD11 LEU 61 HD11 LEU 61 -5.456 1.962 -6.404 453 HD12 LEU 61 HD12 LEU 61 -3.771 2.123 -6.894 454 HD13 LEU 61 HD13 LEU 61 -4.600 0.578 -7.082 455 HD21 LEU 61 HD21 LEU 61 -6.505 3.420 -7.547 456 HD22 LEU 61 HD22 LEU 61 -6.574 3.477 -9.308 457 HD23 LEU 61 HD23 LEU 61 -5.213 4.206 -8.455 458 H SER 62 H SER 62 -2.744 4.650 -11.396 459 HA SER 62 HA SER 62 -1.497 3.122 -13.607 460 HB2 SER 62 HB3 SER 62 -1.465 5.152 -14.581 461 HB3 SER 62 HB2 SER 62 -2.046 5.902 -13.097 462 HG SER 62 HG SER 62 -0.092 6.766 -13.264 463 HA PRO 63 HA PRO 63 2.232 2.140 -11.494 464 HB2 PRO 63 HB2 PRO 63 4.161 3.030 -13.283 465 HB3 PRO 63 HB3 PRO 63 3.285 1.495 -13.420 466 HG2 PRO 63 HG3 PRO 63 2.825 4.072 -14.823 467 HG3 PRO 63 HG2 PRO 63 2.659 2.412 -15.420 468 HD2 PRO 63 HD3 PRO 63 0.506 3.921 -14.738 469 HD3 PRO 63 HD2 PRO 63 0.530 2.157 -14.524 470 H GLU 64 H GLU 64 2.033 5.423 -12.768 471 HA GLU 64 HA GLU 64 4.200 6.531 -11.253 472 HB2 GLU 64 HB3 GLU 64 1.702 7.826 -12.351 473 HB3 GLU 64 HB2 GLU 64 3.075 8.710 -11.703 474 HG2 GLU 64 HG3 GLU 64 4.532 7.628 -13.388 475 HG3 GLU 64 HG2 GLU 64 3.118 6.828 -14.065 476 H HIS 65 H HIS 65 0.865 5.807 -10.507 477 HA HIS 65 HA HIS 65 0.646 7.428 -8.139 478 HB2 HIS 65 HB3 HIS 65 -1.365 6.646 -9.180 479 HB3 HIS 65 HB2 HIS 65 -0.839 4.966 -9.076 480 HD1 HIS 65 HD1 HIS 65 -2.065 3.790 -7.267 481 HD2 HIS 65 HD2 HIS 65 -1.260 7.750 -6.232 482 HE1 HIS 65 HE1 HIS 65 -2.970 4.117 -4.923 483 HE2 HIS 65 HE2 HIS 65 -2.485 6.523 -4.284 484 H PHE 66 H PHE 66 2.048 4.272 -8.724 485 HA PHE 66 HA PHE 66 2.133 3.671 -5.834 486 HB2 PHE 66 HB3 PHE 66 3.161 2.145 -8.241 487 HB3 PHE 66 HB2 PHE 66 3.211 1.555 -6.581 488 HD1 PHE 66 HD2 PHE 66 1.076 1.185 -5.318 489 HD2 PHE 66 HD1 PHE 66 1.132 2.125 -9.506 490 HE1 PHE 66 HE2 PHE 66 -1.269 0.404 -5.525 491 HE2 PHE 66 HE1 PHE 66 -1.209 1.345 -9.716 492 HZ PHE 66 HZ PHE 66 -2.411 0.485 -7.725 493 H ARG 67 H ARG 67 3.870 5.732 -7.612 494 HA ARG 67 HA ARG 67 6.587 4.973 -7.260 495 HB2 ARG 67 HB3 ARG 67 5.362 7.748 -7.220 496 HB3 ARG 67 HB2 ARG 67 7.076 7.396 -7.430 497 HG2 ARG 67 HG3 ARG 67 5.103 6.067 -9.235 498 HG3 ARG 67 HG2 ARG 67 5.532 7.750 -9.541 499 HD2 ARG 67 HD3 ARG 67 7.547 5.508 -9.225 500 HD3 ARG 67 HD2 ARG 67 6.978 6.116 -10.778 501 HE ARG 67 HE ARG 67 7.973 8.274 -9.142 502 HH11 ARG 67 HH22 ARG 67 8.866 5.576 -11.094 503 HH12 ARG 67 HH21 ARG 67 10.397 6.243 -11.551 504 HH21 ARG 67 HH11 ARG 67 9.968 9.161 -9.727 505 HH22 ARG 67 HH12 ARG 67 11.022 8.273 -10.777 506 H SER 68 H SER 68 4.341 6.611 -5.055 507 HA SER 68 HA SER 68 6.362 6.203 -2.882 508 HB2 SER 68 HB3 SER 68 4.437 8.526 -3.170 509 HB3 SER 68 HB2 SER 68 5.557 8.278 -1.834 510 HG SER 68 HG SER 68 6.835 8.082 -4.195 511 H ILE 69 H ILE 69 5.539 5.471 -0.901 512 HA ILE 69 HA ILE 69 3.118 3.956 -0.957 513 HB ILE 69 HB ILE 69 4.734 4.930 1.416 514 HG12 ILE 69 HG13 ILE 69 4.847 2.293 -0.054 515 HG13 ILE 69 HG12 ILE 69 5.994 3.602 -0.296 516 HG21 ILE 69 HG21 ILE 69 3.512 2.395 1.787 517 HG22 ILE 69 HG22 ILE 69 2.271 3.513 1.226 518 HG23 ILE 69 HG23 ILE 69 3.206 3.886 2.674 519 HD11 ILE 69 HD11 ILE 69 6.841 1.922 1.325 520 HD12 ILE 69 HD12 ILE 69 5.449 2.249 2.358 521 HD13 ILE 69 HD13 ILE 69 6.644 3.512 2.063 522 H ARG 70 H ARG 70 3.900 7.188 0.270 523 HA ARG 70 HA ARG 70 1.482 7.662 1.694 524 HB2 ARG 70 HB3 ARG 70 3.287 9.604 0.223 525 HB3 ARG 70 HB2 ARG 70 2.016 10.077 1.351 526 HG2 ARG 70 HG3 ARG 70 3.130 8.704 3.117 527 HG3 ARG 70 HG2 ARG 70 4.443 8.375 1.987 528 HD2 ARG 70 HD3 ARG 70 3.585 11.108 2.983 529 HD3 ARG 70 HD2 ARG 70 5.058 10.249 3.436 530 HE ARG 70 HE ARG 70 5.071 10.464 0.619 531 HH11 ARG 70 HH22 ARG 70 5.085 12.458 3.432 532 HH12 ARG 70 HH21 ARG 70 5.982 13.737 2.684 533 HH21 ARG 70 HH11 ARG 70 6.243 12.122 -0.374 534 HH22 ARG 70 HH12 ARG 70 6.638 13.546 0.529 535 H SER 71 H SER 71 2.268 8.047 -1.748 536 HA SER 71 HA SER 71 -0.049 9.470 -2.538 537 HB2 SER 71 HB3 SER 71 1.379 7.312 -4.115 538 HB3 SER 71 HB2 SER 71 0.387 8.610 -4.767 539 HG SER 71 HG SER 71 2.204 9.664 -4.822 540 H ILE 72 H ILE 72 0.475 5.996 -2.046 541 HA ILE 72 HA ILE 72 -2.035 5.099 -3.038 542 HB ILE 72 HB ILE 72 -0.311 3.934 -0.832 543 HG12 ILE 72 HG13 ILE 72 -0.375 3.306 -3.801 544 HG13 ILE 72 HG12 ILE 72 0.843 4.325 -3.033 545 HG21 ILE 72 HG21 ILE 72 -1.414 1.796 -1.667 546 HG22 ILE 72 HG22 ILE 72 -2.552 2.829 -2.530 547 HG23 ILE 72 HG23 ILE 72 -2.460 2.896 -0.770 548 HD11 ILE 72 HD11 ILE 72 1.141 2.270 -1.421 549 HD12 ILE 72 HD12 ILE 72 1.900 2.245 -3.013 550 HD13 ILE 72 HD13 ILE 72 0.393 1.370 -2.740 551 H ASP 73 H ASP 73 -1.013 6.250 0.157 552 HA ASP 73 HA ASP 73 -3.375 5.614 1.591 553 HB2 ASP 73 HB3 ASP 73 -1.428 7.914 1.916 554 HB3 ASP 73 HB2 ASP 73 -2.674 7.501 3.091 555 H ALA 74 H ALA 74 -2.582 8.401 -0.463 556 HA ALA 74 HA ALA 74 -4.894 9.954 0.185 557 HB1 ALA 74 HB1 ALA 74 -3.565 11.323 -1.040 558 HB2 ALA 74 HB2 ALA 74 -4.351 10.595 -2.441 559 HB3 ALA 74 HB3 ALA 74 -2.801 9.972 -1.877 560 H PHE 75 H PHE 75 -4.315 7.578 -2.415 561 HA PHE 75 HA PHE 75 -6.939 7.829 -3.558 562 HB2 PHE 75 HB3 PHE 75 -4.778 5.738 -3.683 563 HB3 PHE 75 HB2 PHE 75 -6.355 5.434 -4.409 564 HD1 PHE 75 HD1 PHE 75 -3.581 7.944 -4.332 565 HD2 PHE 75 HD2 PHE 75 -6.870 6.285 -6.539 566 HE1 PHE 75 HE1 PHE 75 -2.940 9.301 -6.305 567 HE2 PHE 75 HE2 PHE 75 -6.229 7.642 -8.513 568 HZ PHE 75 HZ PHE 75 -4.264 9.150 -8.396 569 H VAL 76 H VAL 76 -5.575 5.600 -1.131 570 HA VAL 76 HA VAL 76 -7.966 4.067 -0.777 571 HB VAL 76 HB VAL 76 -5.613 4.619 1.051 572 HG11 VAL 76 HG11 VAL 76 -7.984 2.768 1.362 573 HG12 VAL 76 HG12 VAL 76 -7.457 4.036 2.468 574 HG13 VAL 76 HG13 VAL 76 -6.486 2.577 2.272 575 HG21 VAL 76 HG21 VAL 76 -4.635 2.789 0.091 576 HG22 VAL 76 HG22 VAL 76 -5.713 3.164 -1.254 577 HG23 VAL 76 HG23 VAL 76 -6.170 1.935 -0.075 578 H VAL 77 H VAL 77 -6.712 6.995 0.807 579 HA VAL 77 HA VAL 77 -8.689 7.217 2.828 580 HB VAL 77 HB VAL 77 -7.080 9.302 1.341 581 HG11 VAL 77 HG11 VAL 77 -9.270 9.552 3.289 582 HG12 VAL 77 HG12 VAL 77 -8.594 10.756 2.194 583 HG13 VAL 77 HG13 VAL 77 -7.804 10.424 3.735 584 HG21 VAL 77 HG21 VAL 77 -6.304 7.397 3.175 585 HG22 VAL 77 HG22 VAL 77 -6.643 8.785 4.208 586 HG23 VAL 77 HG23 VAL 77 -5.468 8.926 2.901 587 H GLY 78 H GLY 78 -8.623 8.419 -0.517 588 HA2 GLY 78 HA3 GLY 78 -11.080 9.864 -0.411 589 HA3 GLY 78 HA2 GLY 78 -10.341 9.238 -1.882 590 H ALA 79 H ALA 79 -10.426 6.429 -1.026 591 HA ALA 79 HA ALA 79 -13.267 5.958 -1.665 592 HB1 ALA 79 HB1 ALA 79 -11.761 3.533 -1.283 593 HB2 ALA 79 HB2 ALA 79 -10.836 4.652 -2.284 594 HB3 ALA 79 HB3 ALA 79 -12.463 4.173 -2.769 595 H THR 80 H THR 80 -10.931 4.870 0.793 596 HA THR 80 HA THR 80 -13.241 4.472 2.650 597 HB THR 80 HB THR 80 -12.264 2.472 3.511 598 HG1 THR 80 HG1 THR 80 -10.114 3.192 3.516 599 HG21 THR 80 HG21 THR 80 -12.532 1.066 1.702 600 HG22 THR 80 HG22 THR 80 -11.544 2.070 0.641 601 HG23 THR 80 HG23 THR 80 -13.200 2.546 1.015 602 H THR 81 H THR 81 -12.703 4.939 4.899 603 HA THR 81 HA THR 81 -10.069 6.254 5.299 604 HB THR 81 HB THR 81 -11.447 8.111 4.767 605 HG1 THR 81 HG1 THR 81 -11.977 8.523 7.342 606 HG21 THR 81 HG21 THR 81 -13.656 7.523 4.757 607 HG22 THR 81 HG22 THR 81 -13.625 8.257 6.360 608 HG23 THR 81 HG23 THR 81 -13.501 6.506 6.189 609 HA PRO 82 HA PRO 82 -11.074 3.407 8.806 610 HB2 PRO 82 HB2 PRO 82 -8.130 3.343 9.003 611 HB3 PRO 82 HB3 PRO 82 -9.274 1.998 8.857 612 HG2 PRO 82 HG3 PRO 82 -7.647 2.735 6.853 613 HG3 PRO 82 HG2 PRO 82 -9.262 2.061 6.577 614 HD2 PRO 82 HD3 PRO 82 -8.351 4.907 6.381 615 HD3 PRO 82 HD2 PRO 82 -9.555 4.035 5.404 616 HA PRO 83 HA PRO 83 -10.230 5.957 12.335 617 HB2 PRO 83 HB2 PRO 83 -8.220 4.155 13.548 618 HB3 PRO 83 HB3 PRO 83 -9.803 4.653 14.168 619 HG2 PRO 83 HG3 PRO 83 -9.339 2.177 13.255 620 HG3 PRO 83 HG2 PRO 83 -10.910 2.977 13.078 621 HD2 PRO 83 HD3 PRO 83 -8.780 2.532 11.022 622 HD3 PRO 83 HD2 PRO 83 -10.548 2.523 10.836 623 H VAL 84 H VAL 84 -8.753 7.568 13.129 624 HA VAL 84 HA VAL 84 -6.328 7.847 11.459 625 HB VAL 84 HB VAL 84 -7.512 9.775 13.478 626 HG11 VAL 84 HG11 VAL 84 -6.152 11.436 12.285 627 HG12 VAL 84 HG12 VAL 84 -5.553 10.184 11.197 628 HG13 VAL 84 HG13 VAL 84 -5.125 10.144 12.907 629 HG21 VAL 84 HG21 VAL 84 -9.066 10.324 11.940 630 HG22 VAL 84 HG22 VAL 84 -8.549 8.935 10.984 631 HG23 VAL 84 HG23 VAL 84 -7.826 10.518 10.702 632 H GLU 85 H GLU 85 -4.329 7.423 12.217 633 HA GLU 85 HA GLU 85 -3.823 7.521 15.137 634 HB2 GLU 85 HB3 GLU 85 -3.119 5.172 13.347 635 HB3 GLU 85 HB2 GLU 85 -2.617 5.355 15.029 636 HG2 GLU 85 HG3 GLU 85 -5.496 5.255 14.079 637 HG3 GLU 85 HG2 GLU 85 -4.627 3.907 14.812 638 H ALA 86 H ALA 86 -1.504 7.762 15.612 639 HA ALA 86 HA ALA 86 -0.160 9.455 13.717 640 HB1 ALA 86 HB1 ALA 86 0.113 9.108 16.364 641 HB2 ALA 86 HB2 ALA 86 1.416 9.761 15.371 642 HB3 ALA 86 HB3 ALA 86 1.422 8.057 15.824 643 H LYS 87 H LYS 87 1.294 8.932 12.118 644 HA LYS 87 HA LYS 87 1.506 6.255 11.168 645 HB2 LYS 87 HB3 LYS 87 1.911 8.331 9.801 646 HB3 LYS 87 HB2 LYS 87 3.457 8.514 10.631 647 HG2 LYS 87 HG3 LYS 87 4.136 6.265 9.842 648 HG3 LYS 87 HG2 LYS 87 2.605 6.118 8.979 649 HD2 LYS 87 HD3 LYS 87 3.199 8.213 7.714 650 HD3 LYS 87 HD2 LYS 87 4.791 8.154 8.472 651 HE2 LYS 87 HE3 LYS 87 3.674 6.481 6.306 652 HE3 LYS 87 HE2 LYS 87 5.352 6.896 6.657 653 HZ1 LYS 87 HZ1 LYS 87 5.135 5.341 8.614 654 HZ2 LYS 87 HZ2 LYS 87 5.162 4.615 7.082 655 HZ3 LYS 87 HZ3 LYS 87 3.689 4.793 7.910 656 H LEU 88 H LEU 88 3.586 8.162 13.302 657 HA LEU 88 HA LEU 88 5.551 7.548 14.456 658 HB2 LEU 88 HB3 LEU 88 3.727 6.362 15.695 659 HB3 LEU 88 HB2 LEU 88 4.012 4.945 14.686 660 HG LEU 88 HG LEU 88 6.415 4.976 15.455 661 HD11 LEU 88 HD11 LEU 88 6.557 6.250 17.771 662 HD12 LEU 88 HD12 LEU 88 5.308 7.264 17.050 663 HD13 LEU 88 HD13 LEU 88 6.878 7.106 16.263 664 HD21 LEU 88 HD21 LEU 88 5.461 4.537 18.015 665 HD22 LEU 88 HD22 LEU 88 5.456 3.349 16.712 666 HD23 LEU 88 HD23 LEU 88 4.019 4.323 17.022 667 H GLN 89 H GLN 89 6.762 7.560 12.355 668 HA GLN 89 HA GLN 89 7.179 5.240 10.772 669 HB2 GLN 89 HB3 GLN 89 7.935 7.545 10.164 670 HB3 GLN 89 HB2 GLN 89 9.200 7.417 11.388 671 HG2 GLN 89 HG3 GLN 89 10.137 5.457 10.236 672 HG3 GLN 89 HG2 GLN 89 8.861 5.550 9.021 673 HE21 GLN 89 HE22 GLN 89 11.410 5.747 8.016 674 HE22 GLN 89 HE21 GLN 89 11.775 7.348 7.591 675 H1 PN7 101 3HO SAT 38 -0.057 -2.542 -15.725 676 H2 PN7 101 1H1 SAT 38 3.313 -2.930 -14.486 677 H3 PN7 101 2H1 SAT 38 3.766 -2.347 -12.886 678 H5 PN7 101 3HE1 SAT 38 1.889 0.349 -14.827 679 H6 PN7 101 1HE1 SAT 38 2.271 -1.092 -15.769 680 H7 PN7 101 2HE1 SAT 38 3.496 -0.369 -14.727 681 H8 PN7 101 2HE2 SAT 38 1.375 0.272 -12.550 682 H9 PN7 101 3HE2 SAT 38 2.957 -0.367 -12.103 683 H10 PN7 101 1HE2 SAT 38 1.491 -1.208 -11.597 684 H11 PN7 101 3H SAT 38 0.202 -2.528 -13.113 685 H12 PN7 101 5H SAT 38 -1.057 0.207 -12.704 686 H13 PN7 101 2H6 SAT 38 -2.755 -1.575 -14.373 687 H14 PN7 101 1H6 SAT 38 -3.353 -0.338 -13.268 688 H15 PN7 101 1H7 SAT 38 -3.781 -2.253 -12.025 689 H16 PN7 101 2H7 SAT 38 -2.163 -1.854 -11.449 690 H17 PN7 101 9H SAT 38 -2.986 -4.528 -11.294 691 H18 PN7 101 2H10 SAT 38 -1.070 -5.988 -11.142 692 H19 PN7 101 1H10 SAT 38 -0.474 -5.319 -12.662 693 H20 PN7 101 1H11 SAT 38 -1.808 -7.738 -12.372 694 H21 PN7 101 2H11 SAT 38 -1.583 -6.865 -13.888 695 H22 PN7 101 2HS1 SAT 38 -4.154 -7.210 -13.580 Start of MODEL 19 1 H1 MET 1 H1 MET 1 -1.788 12.489 3.287 2 H2 MET 1 H2 MET 1 -0.326 13.338 3.461 3 H3 MET 1 H3 MET 1 -1.360 13.139 4.794 4 HA MET 1 HA MET 1 -0.429 10.712 3.476 5 HB2 MET 1 HB3 MET 1 1.318 12.556 5.118 6 HB3 MET 1 HB2 MET 1 1.657 10.834 4.935 7 HG2 MET 1 HG3 MET 1 1.707 11.100 2.486 8 HG3 MET 1 HG2 MET 1 1.374 12.823 2.667 9 HE1 MET 1 HE1 MET 1 3.344 12.144 0.973 10 HE2 MET 1 HE2 MET 1 5.019 12.455 1.424 11 HE3 MET 1 HE3 MET 1 3.827 13.760 1.483 12 H GLN 2 H GLN 2 -2.431 10.072 4.589 13 HA GLN 2 HA GLN 2 -2.361 10.177 7.547 14 HB2 GLN 2 HB3 GLN 2 -4.402 9.010 5.625 15 HB3 GLN 2 HB2 GLN 2 -4.592 9.087 7.377 16 HG2 GLN 2 HG3 GLN 2 -4.423 11.542 7.299 17 HG3 GLN 2 HG2 GLN 2 -4.214 11.477 5.549 18 HE21 GLN 2 HE22 GLN 2 -6.421 12.879 6.706 19 HE22 GLN 2 HE21 GLN 2 -7.850 12.051 6.314 20 H HIS 3 H HIS 3 -1.599 8.475 8.746 21 HA HIS 3 HA HIS 3 -0.499 6.419 9.120 22 HB2 HIS 3 HB3 HIS 3 -3.135 5.886 7.858 23 HB3 HIS 3 HB2 HIS 3 -2.006 4.532 7.871 24 HD1 HIS 3 HD1 HIS 3 -2.703 7.228 10.490 25 HD2 HIS 3 HD2 HIS 3 -2.638 3.073 10.128 26 HE1 HIS 3 HE1 HIS 3 -3.177 6.298 12.800 27 HE2 HIS 3 HE2 HIS 3 -3.142 3.771 12.590 28 H ALA 4 H ALA 4 0.391 7.950 6.795 29 HA ALA 4 HA ALA 4 0.721 6.363 4.464 30 HB1 ALA 4 HB1 ALA 4 2.112 8.706 5.664 31 HB2 ALA 4 HB2 ALA 4 1.420 8.512 4.053 32 HB3 ALA 4 HB3 ALA 4 2.991 7.806 4.429 33 H SER 5 H SER 5 2.605 6.494 7.470 34 HA SER 5 HA SER 5 4.767 4.843 6.587 35 HB2 SER 5 HB3 SER 5 5.265 4.535 8.942 36 HB3 SER 5 HB2 SER 5 4.744 6.201 8.701 37 HG SER 5 HG SER 5 3.450 5.629 10.297 38 H VAL 6 H VAL 6 1.547 4.091 7.805 39 HA VAL 6 HA VAL 6 2.003 1.287 8.246 40 HB VAL 6 HB VAL 6 -0.524 2.816 7.603 41 HG11 VAL 6 HG11 VAL 6 -0.889 0.517 6.974 42 HG12 VAL 6 HG12 VAL 6 -1.646 0.753 8.549 43 HG13 VAL 6 HG13 VAL 6 -0.087 -0.063 8.434 44 HG21 VAL 6 HG21 VAL 6 1.087 2.472 9.974 45 HG22 VAL 6 HG22 VAL 6 -0.502 1.748 10.222 46 HG23 VAL 6 HG23 VAL 6 -0.369 3.445 9.762 47 H ILE 7 H ILE 7 0.973 3.153 5.414 48 HA ILE 7 HA ILE 7 0.295 0.959 3.743 49 HB ILE 7 HB ILE 7 1.545 3.611 2.963 50 HG12 ILE 7 HG13 ILE 7 -1.375 2.792 3.058 51 HG13 ILE 7 HG12 ILE 7 -0.577 3.729 4.322 52 HG21 ILE 7 HG21 ILE 7 1.690 2.158 1.081 53 HG22 ILE 7 HG22 ILE 7 0.224 3.102 0.819 54 HG23 ILE 7 HG23 ILE 7 0.112 1.445 1.413 55 HD11 ILE 7 HD11 ILE 7 -1.024 4.518 1.437 56 HD12 ILE 7 HD12 ILE 7 0.097 5.376 2.495 57 HD13 ILE 7 HD13 ILE 7 -1.623 5.328 2.885 58 H ALA 8 H ALA 8 3.404 2.694 4.063 59 HA ALA 8 HA ALA 8 4.862 0.955 2.306 60 HB1 ALA 8 HB1 ALA 8 6.768 2.118 2.986 61 HB2 ALA 8 HB2 ALA 8 6.174 2.323 4.634 62 HB3 ALA 8 HB3 ALA 8 5.499 3.295 3.327 63 H GLN 9 H GLN 9 4.512 1.009 5.841 64 HA GLN 9 HA GLN 9 6.148 -1.283 6.351 65 HB2 GLN 9 HB3 GLN 9 5.417 0.358 8.086 66 HB3 GLN 9 HB2 GLN 9 3.776 -0.271 7.948 67 HG2 GLN 9 HG3 GLN 9 5.297 -2.561 8.302 68 HG3 GLN 9 HG2 GLN 9 6.081 -1.390 9.361 69 HE21 GLN 9 HE22 GLN 9 2.691 -2.285 8.475 70 HE22 GLN 9 HE21 GLN 9 2.109 -2.228 10.070 71 H PHE 10 H PHE 10 2.655 -0.926 5.857 72 HA PHE 10 HA PHE 10 1.936 -3.644 6.264 73 HB2 PHE 10 HB3 PHE 10 0.338 -1.720 6.089 74 HB3 PHE 10 HB2 PHE 10 0.653 -1.668 4.356 75 HD1 PHE 10 HD1 PHE 10 -0.733 -3.721 7.111 76 HD2 PHE 10 HD2 PHE 10 -0.306 -3.279 2.862 77 HE1 PHE 10 HE1 PHE 10 -2.432 -5.494 6.757 78 HE2 PHE 10 HE2 PHE 10 -2.003 -5.054 2.506 79 HZ PHE 10 HZ PHE 10 -3.067 -6.159 4.455 80 H VAL 11 H VAL 11 2.772 -1.902 3.280 81 HA VAL 11 HA VAL 11 2.588 -4.239 1.588 82 HB VAL 11 HB VAL 11 4.106 -1.643 1.179 83 HG11 VAL 11 HG11 VAL 11 4.714 -2.428 -0.841 84 HG12 VAL 11 HG12 VAL 11 3.064 -2.933 -1.198 85 HG13 VAL 11 HG13 VAL 11 4.148 -4.016 -0.330 86 HG21 VAL 11 HG21 VAL 11 1.509 -1.704 1.613 87 HG22 VAL 11 HG22 VAL 11 1.444 -2.310 -0.043 88 HG23 VAL 11 HG23 VAL 11 2.153 -0.730 0.291 89 H VAL 12 H VAL 12 5.309 -2.512 3.094 90 HA VAL 12 HA VAL 12 7.365 -4.231 2.100 91 HB VAL 12 HB VAL 12 7.299 -2.556 4.612 92 HG11 VAL 12 HG11 VAL 12 9.105 -4.263 4.577 93 HG12 VAL 12 HG12 VAL 12 9.744 -2.625 4.470 94 HG13 VAL 12 HG13 VAL 12 9.647 -3.632 3.024 95 HG21 VAL 12 HG21 VAL 12 7.012 -1.665 2.059 96 HG22 VAL 12 HG22 VAL 12 8.770 -1.687 2.192 97 HG23 VAL 12 HG23 VAL 12 7.812 -0.736 3.327 98 H GLU 13 H GLU 13 5.309 -4.406 4.964 99 HA GLU 13 HA GLU 13 6.693 -6.369 6.431 100 HB2 GLU 13 HB3 GLU 13 4.666 -5.185 7.240 101 HB3 GLU 13 HB2 GLU 13 3.698 -6.142 6.126 102 HG2 GLU 13 HG3 GLU 13 4.516 -8.212 7.236 103 HG3 GLU 13 HG2 GLU 13 5.387 -7.208 8.391 104 H GLU 14 H GLU 14 4.621 -6.743 3.601 105 HA GLU 14 HA GLU 14 4.392 -9.599 3.753 106 HB2 GLU 14 HB3 GLU 14 4.253 -7.714 1.389 107 HB3 GLU 14 HB2 GLU 14 3.841 -9.427 1.310 108 HG2 GLU 14 HG3 GLU 14 2.135 -9.071 3.084 109 HG3 GLU 14 HG2 GLU 14 2.516 -7.349 3.077 110 H PHE 15 H PHE 15 6.887 -7.463 2.476 111 HA PHE 15 HA PHE 15 8.580 -9.878 2.042 112 HB2 PHE 15 HB3 PHE 15 9.037 -7.700 0.105 113 HB3 PHE 15 HB2 PHE 15 8.987 -9.444 -0.153 114 HD1 PHE 15 HD1 PHE 15 6.852 -10.600 -0.555 115 HD2 PHE 15 HD2 PHE 15 7.038 -6.340 -0.044 116 HE1 PHE 15 HE1 PHE 15 4.556 -10.389 -1.470 117 HE2 PHE 15 HE2 PHE 15 4.744 -6.129 -0.954 118 HZ PHE 15 HZ PHE 15 3.503 -8.153 -1.670 119 H LEU 16 H LEU 16 8.683 -8.184 4.304 120 HA LEU 16 HA LEU 16 10.747 -6.187 3.861 121 HB2 LEU 16 HB3 LEU 16 10.348 -5.485 5.992 122 HB3 LEU 16 HB2 LEU 16 8.858 -6.365 5.740 123 HG LEU 16 HG LEU 16 11.333 -7.456 7.124 124 HD11 LEU 16 HD11 LEU 16 10.366 -5.943 8.628 125 HD12 LEU 16 HD12 LEU 16 9.612 -7.477 9.064 126 HD13 LEU 16 HD13 LEU 16 8.728 -6.306 8.086 127 HD21 LEU 16 HD21 LEU 16 10.336 -9.506 7.158 128 HD22 LEU 16 HD22 LEU 16 9.373 -8.904 5.813 129 HD23 LEU 16 HD23 LEU 16 8.740 -8.817 7.452 130 HA PRO 17 HA PRO 17 14.041 -9.195 4.345 131 HB2 PRO 17 HB2 PRO 17 16.151 -7.488 4.196 132 HB3 PRO 17 HB3 PRO 17 15.181 -7.905 2.773 133 HG2 PRO 17 HG3 PRO 17 15.080 -5.467 4.479 134 HG3 PRO 17 HG2 PRO 17 14.967 -5.617 2.719 135 HD2 PRO 17 HD3 PRO 17 12.786 -5.296 4.360 136 HD3 PRO 17 HD2 PRO 17 12.724 -6.092 2.773 137 H ASP 18 H ASP 18 16.481 -8.290 5.718 138 HA ASP 18 HA ASP 18 15.579 -8.640 8.465 139 HB2 ASP 18 HB3 ASP 18 17.729 -9.587 7.569 140 HB3 ASP 18 HB2 ASP 18 18.347 -7.940 7.469 141 H VAL 19 H VAL 19 15.183 -6.093 6.629 142 HA VAL 19 HA VAL 19 16.100 -4.104 8.672 143 HB VAL 19 HB VAL 19 15.369 -3.614 5.772 144 HG11 VAL 19 HG11 VAL 19 16.345 -1.920 8.049 145 HG12 VAL 19 HG12 VAL 19 15.120 -1.559 6.833 146 HG13 VAL 19 HG13 VAL 19 16.830 -1.509 6.404 147 HG21 VAL 19 HG21 VAL 19 18.097 -3.124 6.165 148 HG22 VAL 19 HG22 VAL 19 17.398 -4.491 5.299 149 HG23 VAL 19 HG23 VAL 19 17.800 -4.643 7.010 150 H ALA 20 H ALA 20 14.543 -2.838 9.652 151 HA ALA 20 HA ALA 20 11.769 -3.592 9.357 152 HB1 ALA 20 HB1 ALA 20 11.449 -1.504 10.859 153 HB2 ALA 20 HB2 ALA 20 13.212 -1.445 10.902 154 HB3 ALA 20 HB3 ALA 20 12.362 -2.861 11.522 155 HA PRO 21 HA PRO 21 10.641 -1.021 5.858 156 HB2 PRO 21 HB2 PRO 21 8.236 -0.332 7.485 157 HB3 PRO 21 HB3 PRO 21 8.339 -0.923 5.817 158 HG2 PRO 21 HG3 PRO 21 7.600 -2.505 7.845 159 HG3 PRO 21 HG2 PRO 21 8.520 -3.107 6.457 160 HD2 PRO 21 HD3 PRO 21 9.426 -2.665 9.246 161 HD3 PRO 21 HD2 PRO 21 10.063 -3.759 7.997 162 H ALA 22 H ALA 22 10.415 0.234 9.152 163 HA ALA 22 HA ALA 22 10.194 3.015 8.454 164 HB1 ALA 22 HB1 ALA 22 9.748 2.842 10.686 165 HB2 ALA 22 HB2 ALA 22 11.490 3.053 10.858 166 HB3 ALA 22 HB3 ALA 22 10.790 1.434 10.884 167 H ASP 23 H ASP 23 12.822 0.767 8.463 168 HA ASP 23 HA ASP 23 14.821 2.957 8.255 169 HB2 ASP 23 HB3 ASP 23 15.130 -0.046 8.548 170 HB3 ASP 23 HB2 ASP 23 16.481 1.073 8.364 171 H VAL 24 H VAL 24 12.759 1.555 6.231 172 HA VAL 24 HA VAL 24 14.709 1.074 4.039 173 HB VAL 24 HB VAL 24 11.701 0.663 4.098 174 HG11 VAL 24 HG11 VAL 24 13.871 0.086 2.083 175 HG12 VAL 24 HG12 VAL 24 12.328 0.901 1.832 176 HG13 VAL 24 HG13 VAL 24 12.371 -0.842 2.097 177 HG21 VAL 24 HG21 VAL 24 12.981 -0.809 5.667 178 HG22 VAL 24 HG22 VAL 24 13.952 -1.363 4.303 179 HG23 VAL 24 HG23 VAL 24 12.224 -1.709 4.354 180 H ASP 25 H ASP 25 14.851 2.486 2.309 181 HA ASP 25 HA ASP 25 13.878 5.160 2.654 182 HB2 ASP 25 HB3 ASP 25 15.001 3.750 0.216 183 HB3 ASP 25 HB2 ASP 25 14.689 5.485 0.300 184 H VAL 26 H VAL 26 11.596 5.068 2.863 185 HA VAL 26 HA VAL 26 9.832 3.725 1.064 186 HB VAL 26 HB VAL 26 8.100 5.224 1.934 187 HG11 VAL 26 HG11 VAL 26 9.925 3.685 3.535 188 HG12 VAL 26 HG12 VAL 26 8.198 3.944 3.783 189 HG13 VAL 26 HG13 VAL 26 9.367 5.070 4.474 190 HG21 VAL 26 HG21 VAL 26 8.855 7.387 2.066 191 HG22 VAL 26 HG22 VAL 26 10.490 6.897 2.508 192 HG23 VAL 26 HG23 VAL 26 9.216 6.919 3.728 193 H ASP 27 H ASP 27 12.050 5.949 0.216 194 HA ASP 27 HA ASP 27 10.377 7.558 -1.595 195 HB2 ASP 27 HB3 ASP 27 13.382 7.389 -1.202 196 HB3 ASP 27 HB2 ASP 27 12.589 8.498 -2.322 197 H LEU 28 H LEU 28 11.317 4.456 -1.629 198 HA LEU 28 HA LEU 28 12.214 4.326 -4.440 199 HB2 LEU 28 HB3 LEU 28 13.194 2.821 -2.696 200 HB3 LEU 28 HB2 LEU 28 11.610 2.078 -2.501 201 HG LEU 28 HG LEU 28 11.654 1.569 -4.986 202 HD11 LEU 28 HD11 LEU 28 14.156 1.445 -5.793 203 HD12 LEU 28 HD12 LEU 28 14.404 2.724 -4.607 204 HD13 LEU 28 HD13 LEU 28 13.269 2.962 -5.936 205 HD21 LEU 28 HD21 LEU 28 13.718 -0.135 -4.522 206 HD22 LEU 28 HD22 LEU 28 12.099 -0.375 -3.866 207 HD23 LEU 28 HD23 LEU 28 13.352 0.368 -2.871 208 H ASP 29 H ASP 29 10.868 3.814 -6.118 209 HA ASP 29 HA ASP 29 8.040 3.927 -5.749 210 HB2 ASP 29 HB3 ASP 29 9.687 2.876 -8.070 211 HB3 ASP 29 HB2 ASP 29 7.941 3.120 -8.127 212 H LEU 30 H LEU 30 6.745 2.368 -4.945 213 HA LEU 30 HA LEU 30 7.646 -0.190 -4.162 214 HB2 LEU 30 HB3 LEU 30 4.765 0.335 -4.916 215 HB3 LEU 30 HB2 LEU 30 5.396 -0.715 -3.652 216 HG LEU 30 HG LEU 30 6.423 1.538 -2.718 217 HD11 LEU 30 HD11 LEU 30 5.616 3.473 -3.557 218 HD12 LEU 30 HD12 LEU 30 3.960 2.874 -3.525 219 HD13 LEU 30 HD13 LEU 30 4.991 2.535 -4.910 220 HD21 LEU 30 HD21 LEU 30 4.995 0.570 -1.210 221 HD22 LEU 30 HD22 LEU 30 3.753 0.266 -2.425 222 HD23 LEU 30 HD23 LEU 30 3.924 1.873 -1.724 223 H VAL 31 H VAL 31 7.143 0.952 -7.280 224 HA VAL 31 HA VAL 31 5.925 -1.143 -8.672 225 HB VAL 31 HB VAL 31 8.284 0.590 -9.440 226 HG11 VAL 31 HG11 VAL 31 7.270 -0.257 -11.809 227 HG12 VAL 31 HG12 VAL 31 7.015 -1.704 -10.834 228 HG13 VAL 31 HG13 VAL 31 8.637 -1.036 -11.013 229 HG21 VAL 31 HG21 VAL 31 6.722 2.041 -10.270 230 HG22 VAL 31 HG22 VAL 31 5.666 1.249 -9.101 231 HG23 VAL 31 HG23 VAL 31 5.647 0.744 -10.791 232 H ASP 32 H ASP 32 9.265 -0.933 -7.493 233 HA ASP 32 HA ASP 32 10.268 -3.315 -8.660 234 HB2 ASP 32 HB3 ASP 32 10.868 -2.070 -5.957 235 HB3 ASP 32 HB2 ASP 32 11.802 -3.388 -6.664 236 H ASN 33 H ASN 33 8.290 -2.759 -5.805 237 HA ASN 33 HA ASN 33 8.211 -5.618 -5.123 238 HB2 ASN 33 HB3 ASN 33 6.645 -3.295 -3.984 239 HB3 ASN 33 HB2 ASN 33 6.740 -4.916 -3.298 240 HD21 ASN 33 HD22 ASN 33 7.843 -2.016 -2.573 241 HD22 ASN 33 HD21 ASN 33 9.423 -2.361 -2.057 242 H GLY 34 H GLY 34 7.090 -4.205 -7.655 243 HA2 GLY 34 HA3 GLY 34 4.348 -4.178 -7.853 244 HA3 GLY 34 HA2 GLY 34 5.365 -4.829 -9.138 245 H VAL 35 H VAL 35 6.248 -6.859 -6.896 246 HA VAL 35 HA VAL 35 4.747 -9.068 -7.799 247 HB VAL 35 HB VAL 35 6.091 -8.587 -5.123 248 HG11 VAL 35 HG11 VAL 35 4.468 -10.852 -6.137 249 HG12 VAL 35 HG12 VAL 35 4.818 -10.371 -4.477 250 HG13 VAL 35 HG13 VAL 35 6.009 -11.289 -5.399 251 HG21 VAL 35 HG21 VAL 35 6.878 -9.916 -7.721 252 HG22 VAL 35 HG22 VAL 35 7.716 -10.270 -6.210 253 HG23 VAL 35 HG23 VAL 35 7.717 -8.629 -6.855 254 H ILE 36 H ILE 36 4.101 -6.799 -5.165 255 HA ILE 36 HA ILE 36 1.769 -8.169 -4.151 256 HB ILE 36 HB ILE 36 3.246 -6.261 -3.094 257 HG12 ILE 36 HG13 ILE 36 0.225 -6.379 -2.853 258 HG13 ILE 36 HG12 ILE 36 1.387 -7.337 -1.940 259 HG21 ILE 36 HG21 ILE 36 2.540 -4.758 -5.095 260 HG22 ILE 36 HG22 ILE 36 2.521 -4.050 -3.480 261 HG23 ILE 36 HG23 ILE 36 1.014 -4.582 -4.227 262 HD11 ILE 36 HD11 ILE 36 0.660 -5.477 -0.555 263 HD12 ILE 36 HD12 ILE 36 1.059 -4.329 -1.833 264 HD13 ILE 36 HD13 ILE 36 2.342 -5.221 -1.017 265 H ASP 37 H ASP 37 2.336 -5.968 -6.781 266 HA ASP 37 HA ASP 37 -0.258 -4.870 -7.077 267 HB2 ASP 37 HB3 ASP 37 1.795 -5.527 -9.203 268 HB3 ASP 37 HB2 ASP 37 0.361 -4.542 -9.468 269 H SER 38 H SER 38 0.952 -8.060 -7.978 270 HA SER 38 HA SER 38 -1.701 -8.603 -9.243 271 HB2 SER 38 2HB SER 38 0.765 -10.295 -9.584 272 HB3 SER 38 1HB SER 38 -0.666 -10.225 -10.610 273 H LEU 39 H LEU 39 0.785 -10.574 -7.571 274 HA LEU 39 HA LEU 39 -1.159 -12.480 -6.682 275 HB2 LEU 39 HB3 LEU 39 1.287 -12.944 -6.947 276 HB3 LEU 39 HB2 LEU 39 1.574 -11.966 -5.513 277 HG LEU 39 HG LEU 39 -0.488 -14.056 -5.193 278 HD11 LEU 39 HD11 LEU 39 2.434 -14.720 -5.642 279 HD12 LEU 39 HD12 LEU 39 1.054 -15.332 -6.554 280 HD13 LEU 39 HD13 LEU 39 1.286 -15.817 -4.874 281 HD21 LEU 39 HD21 LEU 39 1.946 -13.172 -3.610 282 HD22 LEU 39 HD22 LEU 39 0.767 -14.360 -3.056 283 HD23 LEU 39 HD23 LEU 39 0.278 -12.686 -3.313 284 H GLY 40 H GLY 40 0.598 -9.949 -4.900 285 HA2 GLY 40 HA3 GLY 40 -0.870 -10.383 -2.458 286 HA3 GLY 40 HA2 GLY 40 0.132 -8.985 -2.814 287 H LEU 41 H LEU 41 -1.298 -8.197 -5.206 288 HA LEU 41 HA LEU 41 -3.239 -6.478 -4.075 289 HB2 LEU 41 HB3 LEU 41 -2.141 -6.190 -6.316 290 HB3 LEU 41 HB2 LEU 41 -3.184 -7.467 -6.939 291 HG LEU 41 HG LEU 41 -5.114 -5.997 -5.921 292 HD11 LEU 41 HD11 LEU 41 -4.524 -3.555 -6.132 293 HD12 LEU 41 HD12 LEU 41 -2.831 -4.033 -6.242 294 HD13 LEU 41 HD13 LEU 41 -3.748 -4.368 -4.773 295 HD21 LEU 41 HD21 LEU 41 -3.577 -5.278 -8.436 296 HD22 LEU 41 HD22 LEU 41 -5.210 -4.717 -8.078 297 HD23 LEU 41 HD23 LEU 41 -4.899 -6.438 -8.304 298 H LEU 42 H LEU 42 -3.630 -9.638 -5.657 299 HA LEU 42 HA LEU 42 -6.498 -9.647 -5.537 300 HB2 LEU 42 HB3 LEU 42 -4.499 -11.920 -5.569 301 HB3 LEU 42 HB2 LEU 42 -6.233 -12.143 -5.727 302 HG LEU 42 HG LEU 42 -4.531 -10.440 -7.564 303 HD11 LEU 42 HD11 LEU 42 -5.004 -13.287 -7.467 304 HD12 LEU 42 HD12 LEU 42 -4.015 -12.372 -8.605 305 HD13 LEU 42 HD13 LEU 42 -5.733 -12.610 -8.924 306 HD21 LEU 42 HD21 LEU 42 -6.592 -9.529 -7.917 307 HD22 LEU 42 HD22 LEU 42 -7.428 -10.906 -7.204 308 HD23 LEU 42 HD23 LEU 42 -6.856 -10.989 -8.869 309 H LYS 43 H LYS 43 -3.990 -10.864 -3.321 310 HA LYS 43 HA LYS 43 -5.854 -11.878 -1.379 311 HB2 LYS 43 HB3 LYS 43 -2.973 -11.007 -1.112 312 HB3 LYS 43 HB2 LYS 43 -3.874 -11.854 0.139 313 HG2 LYS 43 HG3 LYS 43 -4.295 -13.710 -1.478 314 HG3 LYS 43 HG2 LYS 43 -3.268 -12.879 -2.647 315 HD2 LYS 43 HD3 LYS 43 -1.396 -12.954 -0.995 316 HD3 LYS 43 HD2 LYS 43 -2.427 -13.899 0.082 317 HE2 LYS 43 HE3 LYS 43 -2.697 -15.575 -1.788 318 HE3 LYS 43 HE2 LYS 43 -1.469 -14.681 -2.684 319 HZ1 LYS 43 HZ1 LYS 43 -1.157 -16.039 -0.066 320 HZ2 LYS 43 HZ2 LYS 43 0.004 -14.988 -0.717 321 HZ3 LYS 43 HZ3 LYS 43 -0.387 -16.427 -1.530 322 H VAL 44 H VAL 44 -4.224 -8.766 -1.814 323 HA VAL 44 HA VAL 44 -5.011 -7.604 0.678 324 HB VAL 44 HB VAL 44 -4.351 -6.352 -1.998 325 HG11 VAL 44 HG11 VAL 44 -5.374 -5.189 0.496 326 HG12 VAL 44 HG12 VAL 44 -5.254 -4.473 -1.110 327 HG13 VAL 44 HG13 VAL 44 -3.855 -4.468 -0.036 328 HG21 VAL 44 HG21 VAL 44 -2.710 -7.721 -0.347 329 HG22 VAL 44 HG22 VAL 44 -2.618 -6.132 0.413 330 HG23 VAL 44 HG23 VAL 44 -2.168 -6.326 -1.281 331 H ILE 45 H ILE 45 -6.544 -7.504 -2.542 332 HA ILE 45 HA ILE 45 -8.704 -5.801 -1.803 333 HB ILE 45 HB ILE 45 -8.112 -7.695 -4.013 334 HG12 ILE 45 HG13 ILE 45 -8.610 -5.767 -5.362 335 HG13 ILE 45 HG12 ILE 45 -9.414 -4.960 -4.018 336 HG21 ILE 45 HG21 ILE 45 -10.498 -7.324 -4.863 337 HG22 ILE 45 HG22 ILE 45 -10.911 -6.889 -3.206 338 HG23 ILE 45 HG23 ILE 45 -10.306 -8.506 -3.570 339 HD11 ILE 45 HD11 ILE 45 -6.869 -4.428 -4.687 340 HD12 ILE 45 HD12 ILE 45 -6.582 -5.782 -3.598 341 HD13 ILE 45 HD13 ILE 45 -7.434 -4.352 -3.019 342 H ALA 46 H ALA 46 -8.389 -9.347 -1.738 343 HA ALA 46 HA ALA 46 -11.071 -9.871 -0.878 344 HB1 ALA 46 HB1 ALA 46 -9.968 -11.772 -1.656 345 HB2 ALA 46 HB2 ALA 46 -9.868 -12.006 0.089 346 HB3 ALA 46 HB3 ALA 46 -8.477 -11.381 -0.799 347 H TRP 47 H TRP 47 -8.063 -9.288 0.934 348 HA TRP 47 HA TRP 47 -9.377 -9.680 3.511 349 HB2 TRP 47 HB3 TRP 47 -7.142 -10.130 3.773 350 HB3 TRP 47 HB2 TRP 47 -6.654 -8.954 2.553 351 HD1 TRP 47 HD1 TRP 47 -7.602 -9.239 6.243 352 HE1 TRP 47 HE1 TRP 47 -6.851 -7.089 7.453 353 HE3 TRP 47 HE3 TRP 47 -6.147 -6.435 2.241 354 HZ2 TRP 47 HZ2 TRP 47 -5.769 -4.518 6.804 355 HZ3 TRP 47 HZ3 TRP 47 -5.259 -4.146 2.557 356 HH2 TRP 47 HH2 TRP 47 -5.070 -3.185 4.830 357 H LEU 48 H LEU 48 -8.170 -6.857 1.694 358 HA LEU 48 HA LEU 48 -8.879 -4.889 3.597 359 HB2 LEU 48 HB3 LEU 48 -7.449 -4.559 1.553 360 HB3 LEU 48 HB2 LEU 48 -8.918 -4.569 0.589 361 HG LEU 48 HG LEU 48 -9.672 -2.738 2.352 362 HD11 LEU 48 HD11 LEU 48 -7.499 -3.085 3.607 363 HD12 LEU 48 HD12 LEU 48 -7.841 -1.413 3.163 364 HD13 LEU 48 HD13 LEU 48 -6.678 -2.356 2.230 365 HD21 LEU 48 HD21 LEU 48 -8.287 -1.089 0.751 366 HD22 LEU 48 HD22 LEU 48 -9.689 -1.986 0.168 367 HD23 LEU 48 HD23 LEU 48 -8.063 -2.585 -0.157 368 H GLU 49 H GLU 49 -10.813 -6.225 0.893 369 HA GLU 49 HA GLU 49 -13.056 -4.492 1.331 370 HB2 GLU 49 HB3 GLU 49 -14.303 -6.142 -0.014 371 HB3 GLU 49 HB2 GLU 49 -12.745 -5.793 -0.752 372 HG2 GLU 49 HG3 GLU 49 -12.610 -8.077 -0.810 373 HG3 GLU 49 HG2 GLU 49 -12.031 -7.835 0.836 374 H ASP 50 H ASP 50 -12.161 -7.675 2.589 375 HA ASP 50 HA ASP 50 -14.597 -8.109 4.063 376 HB2 ASP 50 HB3 ASP 50 -12.887 -9.866 3.428 377 HB3 ASP 50 HB2 ASP 50 -11.859 -9.206 4.698 378 H ARG 51 H ARG 51 -11.429 -6.762 4.918 379 HA ARG 51 HA ARG 51 -11.902 -6.426 7.698 380 HB2 ARG 51 HB3 ARG 51 -9.684 -6.195 6.557 381 HB3 ARG 51 HB2 ARG 51 -10.222 -4.641 5.919 382 HG2 ARG 51 HG3 ARG 51 -10.587 -3.831 8.232 383 HG3 ARG 51 HG2 ARG 51 -10.004 -5.375 8.854 384 HD2 ARG 51 HD3 ARG 51 -7.843 -4.981 7.645 385 HD3 ARG 51 HD2 ARG 51 -8.429 -3.376 7.207 386 HE ARG 51 HE ARG 51 -7.362 -4.123 9.779 387 HH11 ARG 51 HH22 ARG 51 -9.778 -2.259 8.175 388 HH12 ARG 51 HH21 ARG 51 -9.879 -1.067 9.428 389 HH21 ARG 51 HH11 ARG 51 -7.478 -2.577 11.423 390 HH22 ARG 51 HH12 ARG 51 -8.576 -1.247 11.266 391 H PHE 52 H PHE 52 -12.577 -4.200 4.976 392 HA PHE 52 HA PHE 52 -13.948 -2.404 6.915 393 HB2 PHE 52 HB3 PHE 52 -13.001 -1.958 4.073 394 HB3 PHE 52 HB2 PHE 52 -13.873 -0.767 5.029 395 HD1 PHE 52 HD2 PHE 52 -12.866 0.102 7.166 396 HD2 PHE 52 HD1 PHE 52 -10.675 -2.374 4.422 397 HE1 PHE 52 HE2 PHE 52 -10.739 0.796 8.236 398 HE2 PHE 52 HE1 PHE 52 -8.549 -1.680 5.493 399 HZ PHE 52 HZ PHE 52 -8.581 -0.095 7.400 400 H GLY 53 H GLY 53 -14.628 -4.865 4.732 401 HA2 GLY 53 HA3 GLY 53 -16.681 -5.642 3.892 402 HA3 GLY 53 HA2 GLY 53 -17.469 -4.452 4.930 403 H ILE 54 H ILE 54 -15.068 -3.706 2.439 404 HA ILE 54 HA ILE 54 -17.129 -2.000 1.122 405 HB ILE 54 HB ILE 54 -14.120 -2.043 0.735 406 HG12 ILE 54 HG13 ILE 54 -15.765 -0.036 2.295 407 HG13 ILE 54 HG12 ILE 54 -14.974 -1.414 3.061 408 HG21 ILE 54 HG21 ILE 54 -16.284 -0.773 -0.670 409 HG22 ILE 54 HG22 ILE 54 -14.553 -0.661 -0.987 410 HG23 ILE 54 HG23 ILE 54 -15.319 0.462 0.137 411 HD11 ILE 54 HD11 ILE 54 -13.533 0.577 3.180 412 HD12 ILE 54 HD12 ILE 54 -13.592 0.733 1.424 413 HD13 ILE 54 HD13 ILE 54 -12.797 -0.659 2.159 414 H ALA 55 H ALA 55 -17.956 -2.628 -0.820 415 HA ALA 55 HA ALA 55 -17.199 -5.121 -2.037 416 HB1 ALA 55 HB1 ALA 55 -19.050 -2.878 -2.702 417 HB2 ALA 55 HB2 ALA 55 -19.377 -4.607 -2.587 418 HB3 ALA 55 HB3 ALA 55 -18.578 -3.953 -4.017 419 H ALA 56 H ALA 56 -15.877 -5.522 -3.814 420 HA ALA 56 HA ALA 56 -13.755 -3.680 -4.368 421 HB1 ALA 56 HB1 ALA 56 -13.467 -5.285 -6.428 422 HB2 ALA 56 HB2 ALA 56 -14.712 -6.239 -5.623 423 HB3 ALA 56 HB3 ALA 56 -13.188 -5.907 -4.802 424 H ASP 57 H ASP 57 -16.876 -4.249 -5.857 425 HA ASP 57 HA ASP 57 -17.992 -3.139 -7.588 426 HB2 ASP 57 HB3 ASP 57 -16.074 -0.959 -6.745 427 HB3 ASP 57 HB2 ASP 57 -17.443 -0.715 -7.826 428 H ASP 58 H ASP 58 -15.864 -4.840 -8.401 429 HA ASP 58 HA ASP 58 -14.376 -5.211 -10.192 430 HB2 ASP 58 HB3 ASP 58 -16.638 -5.037 -11.266 431 HB3 ASP 58 HB2 ASP 58 -16.297 -3.337 -11.578 432 H VAL 59 H VAL 59 -13.108 -3.438 -8.630 433 HA VAL 59 HA VAL 59 -12.374 -1.126 -10.365 434 HB VAL 59 HB VAL 59 -11.701 -1.643 -7.463 435 HG11 VAL 59 HG11 VAL 59 -11.335 0.766 -9.264 436 HG12 VAL 59 HG12 VAL 59 -10.058 -0.205 -8.532 437 HG13 VAL 59 HG13 VAL 59 -11.101 0.791 -7.517 438 HG21 VAL 59 HG21 VAL 59 -13.535 0.538 -8.334 439 HG22 VAL 59 HG22 VAL 59 -13.559 -0.424 -6.856 440 HG23 VAL 59 HG23 VAL 59 -14.174 -1.105 -8.361 441 H GLU 60 H GLU 60 -10.402 -1.093 -11.347 442 HA GLU 60 HA GLU 60 -8.410 -3.174 -10.524 443 HB2 GLU 60 HB3 GLU 60 -9.438 -3.541 -12.781 444 HB3 GLU 60 HB2 GLU 60 -8.792 -1.984 -13.285 445 HG2 GLU 60 HG3 GLU 60 -6.511 -2.787 -12.714 446 HG3 GLU 60 HG2 GLU 60 -7.194 -4.365 -12.340 447 H LEU 61 H LEU 61 -6.317 -2.460 -10.168 448 HA LEU 61 HA LEU 61 -5.896 0.481 -10.353 449 HB2 LEU 61 HB3 LEU 61 -4.309 -1.574 -8.783 450 HB3 LEU 61 HB2 LEU 61 -4.137 0.177 -8.689 451 HG LEU 61 HG LEU 61 -5.476 -0.525 -6.806 452 HD11 LEU 61 HD11 LEU 61 -7.296 0.924 -7.076 453 HD12 LEU 61 HD12 LEU 61 -7.540 0.460 -8.760 454 HD13 LEU 61 HD13 LEU 61 -6.178 1.489 -8.317 455 HD21 LEU 61 HD21 LEU 61 -7.702 -1.605 -8.441 456 HD22 LEU 61 HD22 LEU 61 -7.095 -2.138 -6.875 457 HD23 LEU 61 HD23 LEU 61 -6.266 -2.625 -8.352 458 H SER 62 H SER 62 -4.233 1.297 -11.607 459 HA SER 62 HA SER 62 -2.926 -0.604 -13.443 460 HB2 SER 62 HB3 SER 62 -3.656 2.209 -13.493 461 HB3 SER 62 HB2 SER 62 -1.981 1.977 -13.985 462 HG SER 62 HG SER 62 -2.754 0.377 -15.456 463 HA PRO 63 HA PRO 63 1.028 -0.714 -11.529 464 HB2 PRO 63 HB2 PRO 63 2.716 -0.096 -13.650 465 HB3 PRO 63 HB3 PRO 63 2.025 -1.697 -13.336 466 HG2 PRO 63 HG3 PRO 63 1.178 0.388 -15.269 467 HG3 PRO 63 HG2 PRO 63 1.147 -1.376 -15.419 468 HD2 PRO 63 HD3 PRO 63 -1.096 0.084 -14.920 469 HD3 PRO 63 HD2 PRO 63 -0.881 -1.571 -14.310 470 H GLU 64 H GLU 64 0.345 2.144 -13.470 471 HA GLU 64 HA GLU 64 2.480 3.784 -12.486 472 HB2 GLU 64 HB3 GLU 64 -0.249 4.537 -13.543 473 HB3 GLU 64 HB2 GLU 64 1.058 5.678 -13.265 474 HG2 GLU 64 HG3 GLU 64 2.477 4.390 -14.835 475 HG3 GLU 64 HG2 GLU 64 1.117 3.321 -15.154 476 H HIS 65 H HIS 65 -0.641 2.886 -11.193 477 HA HIS 65 HA HIS 65 -0.844 4.983 -9.232 478 HB2 HIS 65 HB3 HIS 65 -2.753 3.541 -9.919 479 HB3 HIS 65 HB2 HIS 65 -1.976 2.172 -9.123 480 HD1 HIS 65 HD1 HIS 65 -3.026 5.729 -8.189 481 HD2 HIS 65 HD2 HIS 65 -2.760 1.928 -6.490 482 HE1 HIS 65 HE1 HIS 65 -3.952 5.927 -5.837 483 HE2 HIS 65 HE2 HIS 65 -3.788 3.621 -4.793 484 H PHE 66 H PHE 66 0.933 1.978 -9.354 485 HA PHE 66 HA PHE 66 1.557 2.131 -6.462 486 HB2 PHE 66 HB3 PHE 66 2.388 0.128 -8.584 487 HB3 PHE 66 HB2 PHE 66 2.744 -0.009 -6.862 488 HD1 PHE 66 HD1 PHE 66 0.910 -0.322 -5.215 489 HD2 PHE 66 HD2 PHE 66 0.179 -0.304 -9.448 490 HE1 PHE 66 HE1 PHE 66 -1.326 -1.326 -4.834 491 HE2 PHE 66 HE2 PHE 66 -2.056 -1.309 -9.067 492 HZ PHE 66 HZ PHE 66 -2.808 -1.817 -6.761 493 H ARG 67 H ARG 67 2.572 3.842 -8.947 494 HA ARG 67 HA ARG 67 5.365 3.511 -9.167 495 HB2 ARG 67 HB3 ARG 67 4.008 5.037 -10.587 496 HB3 ARG 67 HB2 ARG 67 3.809 6.116 -9.213 497 HG2 ARG 67 HG3 ARG 67 5.606 7.061 -10.410 498 HG3 ARG 67 HG2 ARG 67 6.398 6.151 -9.132 499 HD2 ARG 67 HD3 ARG 67 6.816 4.288 -10.665 500 HD3 ARG 67 HD2 ARG 67 5.933 5.120 -11.944 501 HE ARG 67 HE ARG 67 8.093 6.756 -10.943 502 HH11 ARG 67 HH22 ARG 67 7.280 4.037 -12.901 503 HH12 ARG 67 HH21 ARG 67 8.654 4.207 -13.942 504 HH21 ARG 67 HH11 ARG 67 9.892 6.994 -12.291 505 HH22 ARG 67 HH12 ARG 67 10.133 5.881 -13.596 506 H SER 68 H SER 68 3.470 5.175 -6.671 507 HA SER 68 HA SER 68 5.917 5.222 -4.991 508 HB2 SER 68 HB3 SER 68 5.667 7.556 -4.416 509 HB3 SER 68 HB2 SER 68 5.729 7.436 -6.172 510 HG SER 68 HG SER 68 3.668 8.183 -4.499 511 H ILE 69 H ILE 69 5.405 5.598 -2.684 512 HA ILE 69 HA ILE 69 3.114 4.118 -1.815 513 HB ILE 69 HB ILE 69 3.762 5.166 0.455 514 HG12 ILE 69 HG13 ILE 69 6.232 5.992 -1.040 515 HG13 ILE 69 HG12 ILE 69 4.896 7.112 -0.820 516 HG21 ILE 69 HG21 ILE 69 6.074 3.936 0.307 517 HG22 ILE 69 HG22 ILE 69 5.501 3.467 -1.290 518 HG23 ILE 69 HG23 ILE 69 4.583 3.011 0.144 519 HD11 ILE 69 HD11 ILE 69 5.876 5.623 1.573 520 HD12 ILE 69 HD12 ILE 69 5.197 7.247 1.467 521 HD13 ILE 69 HD13 ILE 69 6.862 6.953 0.966 522 H ARG 70 H ARG 70 3.723 7.596 -2.139 523 HA ARG 70 HA ARG 70 1.436 8.524 -0.726 524 HB2 ARG 70 HB3 ARG 70 2.865 9.731 -3.112 525 HB3 ARG 70 HB2 ARG 70 1.688 10.583 -2.114 526 HG2 ARG 70 HG3 ARG 70 3.123 10.145 -0.117 527 HG3 ARG 70 HG2 ARG 70 4.327 9.419 -1.182 528 HD2 ARG 70 HD3 ARG 70 3.322 12.278 -1.311 529 HD3 ARG 70 HD2 ARG 70 4.912 11.758 -0.753 530 HE ARG 70 HE ARG 70 4.406 10.817 -3.436 531 HH11 ARG 70 HH22 ARG 70 5.222 13.559 -1.513 532 HH12 ARG 70 HH21 ARG 70 6.093 14.356 -2.780 533 HH21 ARG 70 HH11 ARG 70 5.538 11.841 -5.103 534 HH22 ARG 70 HH12 ARG 70 6.272 13.383 -4.813 535 H SER 71 H SER 71 1.805 7.460 -4.096 536 HA SER 71 HA SER 71 -0.746 8.302 -5.033 537 HB2 SER 71 HB3 SER 71 1.094 7.430 -6.483 538 HB3 SER 71 HB2 SER 71 0.782 5.815 -5.854 539 HG SER 71 HG SER 71 -0.482 7.147 -7.803 540 H ILE 72 H ILE 72 0.244 5.266 -3.445 541 HA ILE 72 HA ILE 72 -2.277 3.961 -3.619 542 HB ILE 72 HB ILE 72 -0.126 3.713 -1.495 543 HG12 ILE 72 HG13 ILE 72 -0.589 2.099 -4.023 544 HG13 ILE 72 HG12 ILE 72 0.643 3.349 -3.853 545 HG21 ILE 72 HG21 ILE 72 -2.221 2.717 -0.771 546 HG22 ILE 72 HG22 ILE 72 -1.103 1.431 -1.225 547 HG23 ILE 72 HG23 ILE 72 -2.403 1.898 -2.321 548 HD11 ILE 72 HD11 ILE 72 0.960 1.689 -1.606 549 HD12 ILE 72 HD12 ILE 72 2.018 1.774 -3.015 550 HD13 ILE 72 HD13 ILE 72 0.711 0.592 -2.963 551 H ASP 73 H ASP 73 -0.915 6.175 -1.199 552 HA ASP 73 HA ASP 73 -2.948 5.958 0.757 553 HB2 ASP 73 HB3 ASP 73 -0.783 7.244 0.976 554 HB3 ASP 73 HB2 ASP 73 -1.512 8.514 -0.009 555 H ALA 74 H ALA 74 -2.832 7.854 -2.238 556 HA ALA 74 HA ALA 74 -5.190 9.393 -1.761 557 HB1 ALA 74 HB1 ALA 74 -4.249 10.269 -3.632 558 HB2 ALA 74 HB2 ALA 74 -5.162 9.029 -4.492 559 HB3 ALA 74 HB3 ALA 74 -3.476 8.743 -4.061 560 H PHE 75 H PHE 75 -4.731 6.232 -3.348 561 HA PHE 75 HA PHE 75 -7.494 5.864 -4.025 562 HB2 PHE 75 HB3 PHE 75 -5.637 4.496 -4.964 563 HB3 PHE 75 HB2 PHE 75 -5.445 3.734 -3.388 564 HD1 PHE 75 HD2 PHE 75 -7.722 4.169 -6.275 565 HD2 PHE 75 HD1 PHE 75 -7.013 2.088 -2.584 566 HE1 PHE 75 HE2 PHE 75 -9.539 2.573 -6.826 567 HE2 PHE 75 HE1 PHE 75 -8.830 0.492 -3.135 568 HZ PHE 75 HZ PHE 75 -10.093 0.735 -5.256 569 H VAL 76 H VAL 76 -5.585 4.800 -1.208 570 HA VAL 76 HA VAL 76 -7.728 3.493 0.137 571 HB VAL 76 HB VAL 76 -5.201 4.814 1.155 572 HG11 VAL 76 HG11 VAL 76 -6.730 4.803 2.996 573 HG12 VAL 76 HG12 VAL 76 -5.676 3.406 3.214 574 HG13 VAL 76 HG13 VAL 76 -7.310 3.190 2.586 575 HG21 VAL 76 HG21 VAL 76 -4.202 2.780 0.845 576 HG22 VAL 76 HG22 VAL 76 -5.494 2.550 -0.332 577 HG23 VAL 76 HG23 VAL 76 -5.655 1.888 1.294 578 H VAL 77 H VAL 77 -6.542 6.855 0.282 579 HA VAL 77 HA VAL 77 -8.270 7.754 2.347 580 HB VAL 77 HB VAL 77 -7.049 9.184 -0.024 581 HG11 VAL 77 HG11 VAL 77 -7.535 11.234 1.445 582 HG12 VAL 77 HG12 VAL 77 -8.677 10.199 2.302 583 HG13 VAL 77 HG13 VAL 77 -8.902 10.527 0.585 584 HG21 VAL 77 HG21 VAL 77 -5.221 9.456 1.297 585 HG22 VAL 77 HG22 VAL 77 -5.892 8.138 2.257 586 HG23 VAL 77 HG23 VAL 77 -6.199 9.811 2.721 587 H GLY 78 H GLY 78 -8.737 7.525 -1.164 588 HA2 GLY 78 HA3 GLY 78 -11.219 8.874 -1.339 589 HA3 GLY 78 HA2 GLY 78 -10.699 7.601 -2.441 590 H ALA 79 H ALA 79 -10.493 5.547 -0.350 591 HA ALA 79 HA ALA 79 -13.413 5.063 -0.018 592 HB1 ALA 79 HB1 ALA 79 -12.894 2.718 0.054 593 HB2 ALA 79 HB2 ALA 79 -11.171 3.049 0.228 594 HB3 ALA 79 HB3 ALA 79 -11.988 3.405 -1.294 595 H THR 80 H THR 80 -10.353 4.622 1.762 596 HA THR 80 HA THR 80 -11.915 4.949 4.292 597 HB THR 80 HB THR 80 -9.481 3.199 3.911 598 HG1 THR 80 HG1 THR 80 -12.204 2.486 4.225 599 HG21 THR 80 HG21 THR 80 -9.531 3.807 6.172 600 HG22 THR 80 HG22 THR 80 -10.460 2.308 6.159 601 HG23 THR 80 HG23 THR 80 -11.293 3.861 6.214 602 H THR 81 H THR 81 -11.078 6.447 5.712 603 HA THR 81 HA THR 81 -8.398 7.588 5.051 604 HB THR 81 HB THR 81 -9.898 9.275 4.397 605 HG1 THR 81 HG1 THR 81 -9.820 10.775 6.237 606 HG21 THR 81 HG21 THR 81 -11.486 8.652 6.904 607 HG22 THR 81 HG22 THR 81 -11.936 8.201 5.260 608 HG23 THR 81 HG23 THR 81 -11.884 9.901 5.725 609 HA PRO 82 HA PRO 82 -8.244 5.963 9.376 610 HB2 PRO 82 HB2 PRO 82 -5.347 6.016 8.816 611 HB3 PRO 82 HB3 PRO 82 -6.358 4.674 9.379 612 HG2 PRO 82 HG3 PRO 82 -5.342 4.791 6.889 613 HG3 PRO 82 HG2 PRO 82 -6.886 4.010 7.266 614 HD2 PRO 82 HD3 PRO 82 -6.382 6.651 5.963 615 HD3 PRO 82 HD2 PRO 82 -7.706 5.495 5.699 616 HA PRO 83 HA PRO 83 -6.846 9.488 11.667 617 HB2 PRO 83 HB2 PRO 83 -4.462 8.191 12.836 618 HB3 PRO 83 HB3 PRO 83 -5.914 8.809 13.642 619 HG2 PRO 83 HG3 PRO 83 -5.408 6.184 13.395 620 HG3 PRO 83 HG2 PRO 83 -7.051 6.846 13.398 621 HD2 PRO 83 HD3 PRO 83 -5.423 5.853 11.092 622 HD3 PRO 83 HD2 PRO 83 -7.177 5.750 11.365 623 H VAL 84 H VAL 84 -5.379 11.287 11.574 624 HA VAL 84 HA VAL 84 -3.403 11.067 9.378 625 HB VAL 84 HB VAL 84 -4.272 13.530 10.916 626 HG11 VAL 84 HG11 VAL 84 -3.343 14.750 9.060 627 HG12 VAL 84 HG12 VAL 84 -3.086 13.267 8.141 628 HG13 VAL 84 HG13 VAL 84 -2.120 13.591 9.581 629 HG21 VAL 84 HG21 VAL 84 -5.768 11.898 9.112 630 HG22 VAL 84 HG22 VAL 84 -5.355 13.390 8.267 631 HG23 VAL 84 HG23 VAL 84 -6.226 13.456 9.799 632 H GLU 85 H GLU 85 -1.275 10.849 9.804 633 HA GLU 85 HA GLU 85 -0.128 12.041 12.251 634 HB2 GLU 85 HB3 GLU 85 0.153 9.096 11.568 635 HB3 GLU 85 HB2 GLU 85 1.014 9.929 12.862 636 HG2 GLU 85 HG3 GLU 85 -1.182 10.529 13.886 637 HG3 GLU 85 HG2 GLU 85 -1.990 9.580 12.637 638 H ALA 86 H ALA 86 2.222 12.257 12.076 639 HA ALA 86 HA ALA 86 3.110 12.785 9.390 640 HB1 ALA 86 HB1 ALA 86 4.898 12.393 11.801 641 HB2 ALA 86 HB2 ALA 86 3.972 13.870 11.536 642 HB3 ALA 86 HB3 ALA 86 5.208 13.385 10.376 643 H LYS 87 H LYS 87 4.243 11.474 7.978 644 HA LYS 87 HA LYS 87 4.212 8.649 8.319 645 HB2 LYS 87 HB3 LYS 87 4.391 9.850 6.118 646 HB3 LYS 87 HB2 LYS 87 6.068 10.227 6.514 647 HG2 LYS 87 HG3 LYS 87 6.550 7.805 6.729 648 HG3 LYS 87 HG2 LYS 87 4.882 7.445 6.283 649 HD2 LYS 87 HD3 LYS 87 5.262 8.695 4.132 650 HD3 LYS 87 HD2 LYS 87 6.966 8.824 4.569 651 HE2 LYS 87 HE3 LYS 87 5.379 6.377 3.846 652 HE3 LYS 87 HE2 LYS 87 6.966 6.886 3.268 653 HZ1 LYS 87 HZ1 LYS 87 7.625 5.320 4.735 654 HZ2 LYS 87 HZ2 LYS 87 6.242 5.465 5.706 655 HZ3 LYS 87 HZ3 LYS 87 7.494 6.607 5.837 656 H LEU 88 H LEU 88 6.757 11.047 8.921 657 HA LEU 88 HA LEU 88 8.530 8.881 9.926 658 HB2 LEU 88 HB3 LEU 88 9.117 11.838 9.578 659 HB3 LEU 88 HB2 LEU 88 10.291 10.567 9.923 660 HG LEU 88 HG LEU 88 8.609 10.825 7.414 661 HD11 LEU 88 HD11 LEU 88 10.433 11.747 6.422 662 HD12 LEU 88 HD12 LEU 88 11.546 10.662 7.257 663 HD13 LEU 88 HD13 LEU 88 10.950 12.110 8.068 664 HD21 LEU 88 HD21 LEU 88 10.300 8.888 6.780 665 HD22 LEU 88 HD22 LEU 88 8.806 8.516 7.640 666 HD23 LEU 88 HD23 LEU 88 10.328 8.630 8.524 667 H GLN 89 H GLN 89 9.118 8.765 12.099 668 HA GLN 89 HA GLN 89 8.657 8.979 14.406 669 HB2 GLN 89 HB3 GLN 89 10.289 10.816 13.941 670 HB3 GLN 89 HB2 GLN 89 8.931 11.910 13.675 671 HG2 GLN 89 HG3 GLN 89 8.123 11.411 15.982 672 HG3 GLN 89 HG2 GLN 89 9.560 10.420 16.240 673 HE21 GLN 89 HE22 GLN 89 10.707 12.758 14.258 674 HE22 GLN 89 HE21 GLN 89 11.196 13.916 15.399 675 H1 PN7 101 3HO SAT 38 1.164 -3.041 -14.090 676 H2 PN7 101 1H1 SAT 38 0.619 -6.189 -11.063 677 H3 PN7 101 2H1 SAT 38 -0.905 -5.982 -11.927 678 H5 PN7 101 3HE1 SAT 38 2.635 -3.975 -13.190 679 H6 PN7 101 1HE1 SAT 38 2.565 -5.735 -13.280 680 H7 PN7 101 2HE1 SAT 38 2.614 -4.934 -11.709 681 H8 PN7 101 2HE2 SAT 38 1.042 -3.273 -11.236 682 H9 PN7 101 3HE2 SAT 38 -0.637 -3.790 -11.380 683 H10 PN7 101 1HE2 SAT 38 0.077 -2.757 -12.617 684 H11 PN7 101 3H SAT 38 0.596 -5.555 -14.713 685 H12 PN7 101 5H SAT 38 -1.509 -2.985 -13.366 686 H13 PN7 101 2H6 SAT 38 -3.860 -4.498 -14.298 687 H14 PN7 101 1H6 SAT 38 -3.878 -2.867 -13.628 688 H15 PN7 101 1H7 SAT 38 -4.741 -3.907 -11.787 689 H16 PN7 101 2H7 SAT 38 -3.053 -4.296 -11.456 690 H17 PN7 101 9H SAT 38 -2.580 -6.714 -11.439 691 H18 PN7 101 2H10 SAT 38 -5.311 -7.307 -10.466 692 H19 PN7 101 1H10 SAT 38 -3.810 -7.861 -9.725 693 H20 PN7 101 1H11 SAT 38 -4.233 -9.849 -10.722 694 H21 PN7 101 2H11 SAT 38 -3.758 -9.060 -12.226 695 H22 PN7 101 2HS1 SAT 38 -6.484 -8.345 -12.219 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -0.410 15.850 5.343 2 H2 MET 1 H2 MET 1 -1.083 16.132 3.809 3 H3 MET 1 H3 MET 1 0.581 15.824 3.966 4 HA MET 1 HA MET 1 -0.719 13.900 3.131 5 HB2 MET 1 HB3 MET 1 0.756 13.698 5.769 6 HB3 MET 1 HB2 MET 1 0.300 12.297 4.797 7 HG2 MET 1 HG3 MET 1 1.571 13.211 2.887 8 HG3 MET 1 HG2 MET 1 2.040 14.597 3.869 9 HE1 MET 1 HE1 MET 1 4.789 14.146 3.707 10 HE2 MET 1 HE2 MET 1 3.997 13.251 2.412 11 HE3 MET 1 HE3 MET 1 5.254 12.477 3.387 12 H GLN 2 H GLN 2 -2.921 13.685 3.208 13 HA GLN 2 HA GLN 2 -4.592 14.010 5.467 14 HB2 GLN 2 HB3 GLN 2 -5.349 13.804 3.072 15 HB3 GLN 2 HB2 GLN 2 -5.048 12.070 3.181 16 HG2 GLN 2 HG3 GLN 2 -6.669 11.860 4.987 17 HG3 GLN 2 HG2 GLN 2 -6.918 13.606 5.008 18 HE21 GLN 2 HE22 GLN 2 -9.202 12.170 4.570 19 HE22 GLN 2 HE21 GLN 2 -9.660 12.219 2.936 20 H HIS 3 H HIS 3 -2.891 11.141 4.268 21 HA HIS 3 HA HIS 3 -2.800 9.970 6.920 22 HB2 HIS 3 HB3 HIS 3 -4.706 8.853 4.856 23 HB3 HIS 3 HB2 HIS 3 -4.023 7.840 6.127 24 HD1 HIS 3 HD1 HIS 3 -6.753 10.157 5.471 25 HD2 HIS 3 HD2 HIS 3 -4.615 8.957 8.846 26 HE1 HIS 3 HE1 HIS 3 -8.137 10.845 7.480 27 HE2 HIS 3 HE2 HIS 3 -6.845 10.120 9.538 28 H ALA 4 H ALA 4 -1.146 10.697 4.506 29 HA ALA 4 HA ALA 4 -0.223 8.358 3.178 30 HB1 ALA 4 HB1 ALA 4 1.399 9.718 2.277 31 HB2 ALA 4 HB2 ALA 4 1.735 10.513 3.815 32 HB3 ALA 4 HB3 ALA 4 0.309 10.967 2.881 33 H SER 5 H SER 5 0.627 9.726 6.329 34 HA SER 5 HA SER 5 2.993 8.211 6.765 35 HB2 SER 5 HB3 SER 5 2.674 8.680 9.122 36 HB3 SER 5 HB2 SER 5 2.179 10.103 8.210 37 HG SER 5 HG SER 5 0.407 9.843 9.333 38 H VAL 6 H VAL 6 -0.414 7.407 7.419 39 HA VAL 6 HA VAL 6 0.186 4.840 8.600 40 HB VAL 6 HB VAL 6 -2.311 5.921 7.282 41 HG11 VAL 6 HG11 VAL 6 -3.408 3.936 8.430 42 HG12 VAL 6 HG12 VAL 6 -1.789 3.283 8.675 43 HG13 VAL 6 HG13 VAL 6 -2.403 3.527 7.040 44 HG21 VAL 6 HG21 VAL 6 -1.925 7.051 9.335 45 HG22 VAL 6 HG22 VAL 6 -1.352 5.582 10.126 46 HG23 VAL 6 HG23 VAL 6 -3.064 5.769 9.745 47 H ILE 7 H ILE 7 -0.543 5.951 5.329 48 HA ILE 7 HA ILE 7 -0.713 3.412 4.071 49 HB ILE 7 HB ILE 7 0.296 6.058 2.993 50 HG12 ILE 7 HG13 ILE 7 -2.424 4.727 2.776 51 HG13 ILE 7 HG12 ILE 7 -2.036 5.992 3.941 52 HG21 ILE 7 HG21 ILE 7 -0.617 3.531 1.575 53 HG22 ILE 7 HG22 ILE 7 1.012 4.206 1.557 54 HG23 ILE 7 HG23 ILE 7 -0.310 5.074 0.777 55 HD11 ILE 7 HD11 ILE 7 -2.964 6.388 1.349 56 HD12 ILE 7 HD12 ILE 7 -1.235 6.716 1.230 57 HD13 ILE 7 HD13 ILE 7 -2.226 7.610 2.383 58 H ALA 8 H ALA 8 2.122 5.555 4.494 59 HA ALA 8 HA ALA 8 3.997 3.744 3.297 60 HB1 ALA 8 HB1 ALA 8 4.214 6.069 5.189 61 HB2 ALA 8 HB2 ALA 8 4.861 5.902 3.557 62 HB3 ALA 8 HB3 ALA 8 5.627 5.055 4.901 63 H GLN 9 H GLN 9 2.980 4.268 6.652 64 HA GLN 9 HA GLN 9 4.656 2.250 7.812 65 HB2 GLN 9 HB3 GLN 9 3.512 4.032 9.121 66 HB3 GLN 9 HB2 GLN 9 1.960 3.277 8.758 67 HG2 GLN 9 HG3 GLN 9 3.551 1.193 9.742 68 HG3 GLN 9 HG2 GLN 9 3.912 2.565 10.787 69 HE21 GLN 9 HE22 GLN 9 0.956 1.208 9.203 70 HE22 GLN 9 HE21 GLN 9 -0.018 1.337 10.589 71 H PHE 10 H PHE 10 1.410 2.209 6.435 72 HA PHE 10 HA PHE 10 0.685 -0.442 7.202 73 HB2 PHE 10 HB3 PHE 10 -0.861 1.323 6.296 74 HB3 PHE 10 HB2 PHE 10 -0.156 1.054 4.704 75 HD1 PHE 10 HD2 PHE 10 -2.239 -0.375 7.378 76 HD2 PHE 10 HD1 PHE 10 -0.599 -0.999 3.459 77 HE1 PHE 10 HE2 PHE 10 -3.802 -2.267 7.027 78 HE2 PHE 10 HE1 PHE 10 -2.164 -2.891 3.106 79 HZ PHE 10 HZ PHE 10 -3.763 -3.521 4.893 80 H VAL 11 H VAL 11 2.035 0.767 4.125 81 HA VAL 11 HA VAL 11 2.388 -1.909 3.064 82 HB VAL 11 HB VAL 11 2.142 0.307 1.755 83 HG11 VAL 11 HG11 VAL 11 4.130 1.549 1.311 84 HG12 VAL 11 HG12 VAL 11 5.147 0.337 2.091 85 HG13 VAL 11 HG13 VAL 11 4.078 1.350 3.062 86 HG21 VAL 11 HG21 VAL 11 2.513 -1.402 0.283 87 HG22 VAL 11 HG22 VAL 11 3.858 -2.051 1.222 88 HG23 VAL 11 HG23 VAL 11 4.113 -0.672 0.153 89 H VAL 12 H VAL 12 4.570 0.467 4.575 90 HA VAL 12 HA VAL 12 6.965 -1.044 4.195 91 HB VAL 12 HB VAL 12 6.301 0.929 6.386 92 HG11 VAL 12 HG11 VAL 12 8.982 0.030 5.292 93 HG12 VAL 12 HG12 VAL 12 8.299 -0.504 6.824 94 HG13 VAL 12 HG13 VAL 12 8.721 1.189 6.593 95 HG21 VAL 12 HG21 VAL 12 6.819 2.626 4.930 96 HG22 VAL 12 HG22 VAL 12 6.263 1.456 3.735 97 HG23 VAL 12 HG23 VAL 12 7.988 1.646 4.045 98 H GLU 13 H GLU 13 4.548 -1.075 6.791 99 HA GLU 13 HA GLU 13 5.942 -2.660 8.661 100 HB2 GLU 13 HB3 GLU 13 3.727 -1.606 9.084 101 HB3 GLU 13 HB2 GLU 13 2.992 -2.822 8.045 102 HG2 GLU 13 HG3 GLU 13 3.887 -4.604 9.518 103 HG3 GLU 13 HG2 GLU 13 4.547 -3.360 10.578 104 H GLU 14 H GLU 14 4.294 -3.574 5.698 105 HA GLU 14 HA GLU 14 4.284 -6.404 6.167 106 HB2 GLU 14 HB3 GLU 14 2.955 -5.241 4.391 107 HB3 GLU 14 HB2 GLU 14 4.454 -4.966 3.506 108 HG2 GLU 14 HG3 GLU 14 4.855 -7.421 3.477 109 HG3 GLU 14 HG2 GLU 14 3.299 -7.659 4.273 110 H PHE 15 H PHE 15 6.730 -4.180 4.942 111 HA PHE 15 HA PHE 15 8.684 -6.426 5.054 112 HB2 PHE 15 HB3 PHE 15 9.685 -5.777 2.939 113 HB3 PHE 15 HB2 PHE 15 7.967 -6.072 2.676 114 HD1 PHE 15 HD1 PHE 15 6.374 -4.094 2.632 115 HD2 PHE 15 HD2 PHE 15 10.644 -3.642 2.508 116 HE1 PHE 15 HE1 PHE 15 6.105 -1.788 1.762 117 HE2 PHE 15 HE2 PHE 15 10.374 -1.335 1.643 118 HZ PHE 15 HZ PHE 15 8.105 -0.408 1.268 119 H LEU 16 H LEU 16 8.352 -4.469 7.044 120 HA LEU 16 HA LEU 16 10.228 -2.303 6.559 121 HB2 LEU 16 HB3 LEU 16 9.492 -1.394 8.516 122 HB3 LEU 16 HB2 LEU 16 8.146 -2.472 8.223 123 HG LEU 16 HG LEU 16 10.527 -3.068 10.013 124 HD11 LEU 16 HD11 LEU 16 7.776 -2.005 10.460 125 HD12 LEU 16 HD12 LEU 16 9.283 -1.614 11.290 126 HD13 LEU 16 HD13 LEU 16 8.438 -3.118 11.657 127 HD21 LEU 16 HD21 LEU 16 8.896 -4.894 8.700 128 HD22 LEU 16 HD22 LEU 16 8.097 -4.702 10.257 129 HD23 LEU 16 HD23 LEU 16 9.783 -5.212 10.186 130 HA PRO 17 HA PRO 17 13.751 -4.776 7.802 131 HB2 PRO 17 HB2 PRO 17 15.639 -2.811 7.772 132 HB3 PRO 17 HB3 PRO 17 14.965 -3.497 6.283 133 HG2 PRO 17 HG3 PRO 17 14.300 -0.941 7.656 134 HG3 PRO 17 HG2 PRO 17 14.477 -1.281 5.927 135 HD2 PRO 17 HD3 PRO 17 12.050 -1.099 7.195 136 HD3 PRO 17 HD2 PRO 17 12.327 -2.063 5.729 137 H ASP 18 H ASP 18 15.837 -3.440 9.397 138 HA ASP 18 HA ASP 18 14.584 -3.670 12.013 139 HB2 ASP 18 HB3 ASP 18 17.373 -2.883 11.148 140 HB3 ASP 18 HB2 ASP 18 16.884 -3.078 12.827 141 H VAL 19 H VAL 19 14.200 -1.360 9.872 142 HA VAL 19 HA VAL 19 14.554 0.901 11.803 143 HB VAL 19 HB VAL 19 14.224 1.047 8.794 144 HG11 VAL 19 HG11 VAL 19 15.311 3.347 9.332 145 HG12 VAL 19 HG12 VAL 19 14.805 3.029 10.991 146 HG13 VAL 19 HG13 VAL 19 13.602 3.128 9.706 147 HG21 VAL 19 HG21 VAL 19 16.344 0.178 8.832 148 HG22 VAL 19 HG22 VAL 19 16.591 0.590 10.529 149 HG23 VAL 19 HG23 VAL 19 16.785 1.825 9.284 150 H ALA 20 H ALA 20 12.729 2.047 12.401 151 HA ALA 20 HA ALA 20 10.136 0.926 11.798 152 HB1 ALA 20 HB1 ALA 20 9.662 2.026 13.703 153 HB2 ALA 20 HB2 ALA 20 9.840 3.555 12.843 154 HB3 ALA 20 HB3 ALA 20 11.232 2.827 13.644 155 HA PRO 21 HA PRO 21 9.274 2.973 7.904 156 HB2 PRO 21 HB2 PRO 21 6.593 3.537 9.084 157 HB3 PRO 21 HB3 PRO 21 7.007 2.781 7.535 158 HG2 PRO 21 HG3 PRO 21 6.138 1.366 9.639 159 HG3 PRO 21 HG2 PRO 21 7.292 0.720 8.461 160 HD2 PRO 21 HD3 PRO 21 7.757 1.543 11.269 161 HD3 PRO 21 HD2 PRO 21 8.675 0.420 10.242 162 H ALA 22 H ALA 22 8.473 4.534 10.965 163 HA ALA 22 HA ALA 22 8.029 7.172 9.918 164 HB1 ALA 22 HB1 ALA 22 8.944 7.697 12.398 165 HB2 ALA 22 HB2 ALA 22 8.596 5.979 12.588 166 HB3 ALA 22 HB3 ALA 22 7.315 7.089 12.103 167 H ASP 23 H ASP 23 10.879 5.294 10.477 168 HA ASP 23 HA ASP 23 12.601 7.702 10.126 169 HB2 ASP 23 HB3 ASP 23 13.239 4.900 11.094 170 HB3 ASP 23 HB2 ASP 23 14.453 6.152 10.829 171 H VAL 24 H VAL 24 11.063 5.607 8.226 172 HA VAL 24 HA VAL 24 13.360 5.053 6.419 173 HB VAL 24 HB VAL 24 10.467 4.141 6.252 174 HG11 VAL 24 HG11 VAL 24 11.145 3.890 4.071 175 HG12 VAL 24 HG12 VAL 24 11.862 2.415 4.720 176 HG13 VAL 24 HG13 VAL 24 12.856 3.855 4.497 177 HG21 VAL 24 HG21 VAL 24 12.909 2.491 6.935 178 HG22 VAL 24 HG22 VAL 24 11.212 2.045 7.115 179 HG23 VAL 24 HG23 VAL 24 11.921 3.262 8.174 180 H ASP 25 H ASP 25 13.505 6.066 4.414 181 HA ASP 25 HA ASP 25 12.131 8.566 4.095 182 HB2 ASP 25 HB3 ASP 25 14.388 8.031 3.130 183 HB3 ASP 25 HB2 ASP 25 13.589 6.974 1.966 184 H VAL 26 H VAL 26 9.895 8.287 4.009 185 HA VAL 26 HA VAL 26 8.509 6.278 2.562 186 HB VAL 26 HB VAL 26 7.290 7.543 4.166 187 HG11 VAL 26 HG11 VAL 26 8.559 9.532 4.374 188 HG12 VAL 26 HG12 VAL 26 7.001 10.074 3.750 189 HG13 VAL 26 HG13 VAL 26 8.382 9.923 2.663 190 HG21 VAL 26 HG21 VAL 26 5.381 8.167 2.961 191 HG22 VAL 26 HG22 VAL 26 6.199 7.084 1.838 192 HG23 VAL 26 HG23 VAL 26 6.322 8.831 1.628 193 H ASP 27 H ASP 27 10.619 8.393 1.258 194 HA ASP 27 HA ASP 27 9.029 8.977 -1.180 195 HB2 ASP 27 HB3 ASP 27 11.821 9.813 -0.332 196 HB3 ASP 27 HB2 ASP 27 11.069 10.267 -1.861 197 H LEU 28 H LEU 28 10.368 6.323 -0.116 198 HA LEU 28 HA LEU 28 12.187 5.669 -2.327 199 HB2 LEU 28 HB3 LEU 28 12.500 4.761 -0.015 200 HB3 LEU 28 HB2 LEU 28 11.006 3.850 -0.215 201 HG LEU 28 HG LEU 28 12.002 2.782 -2.261 202 HD11 LEU 28 HD11 LEU 28 14.695 2.998 -1.970 203 HD12 LEU 28 HD12 LEU 28 14.203 4.625 -1.502 204 HD13 LEU 28 HD13 LEU 28 13.759 3.991 -3.086 205 HD21 LEU 28 HD21 LEU 28 12.903 2.434 0.533 206 HD22 LEU 28 HD22 LEU 28 13.945 1.683 -0.676 207 HD23 LEU 28 HD23 LEU 28 12.238 1.248 -0.591 208 H ASP 29 H ASP 29 11.617 4.634 -4.178 209 HA ASP 29 HA ASP 29 8.837 4.336 -4.834 210 HB2 ASP 29 HB3 ASP 29 9.706 3.223 -6.908 211 HB3 ASP 29 HB2 ASP 29 10.448 4.792 -6.595 212 H LEU 30 H LEU 30 7.528 2.699 -4.243 213 HA LEU 30 HA LEU 30 8.457 0.429 -2.790 214 HB2 LEU 30 HB3 LEU 30 5.842 0.734 -4.304 215 HB3 LEU 30 HB2 LEU 30 6.169 -0.438 -3.027 216 HG LEU 30 HG LEU 30 6.185 2.579 -2.724 217 HD11 LEU 30 HD11 LEU 30 4.393 1.316 -0.947 218 HD12 LEU 30 HD12 LEU 30 4.127 0.555 -2.515 219 HD13 LEU 30 HD13 LEU 30 3.980 2.304 -2.348 220 HD21 LEU 30 HD21 LEU 30 6.261 1.680 -0.211 221 HD22 LEU 30 HD22 LEU 30 7.743 1.933 -1.133 222 HD23 LEU 30 HD23 LEU 30 7.066 0.312 -0.978 223 H VAL 31 H VAL 31 8.690 1.093 -6.086 224 HA VAL 31 HA VAL 31 8.111 -1.317 -7.375 225 HB VAL 31 HB VAL 31 10.388 0.625 -7.814 226 HG11 VAL 31 HG11 VAL 31 10.488 -0.547 -10.103 227 HG12 VAL 31 HG12 VAL 31 9.619 -1.873 -9.331 228 HG13 VAL 31 HG13 VAL 31 11.214 -1.403 -8.743 229 HG21 VAL 31 HG21 VAL 31 7.772 1.005 -8.239 230 HG22 VAL 31 HG22 VAL 31 8.147 0.134 -9.726 231 HG23 VAL 31 HG23 VAL 31 8.990 1.635 -9.349 232 H ASP 32 H ASP 32 11.038 -0.468 -5.542 233 HA ASP 32 HA ASP 32 12.487 -2.870 -5.987 234 HB2 ASP 32 HB3 ASP 32 12.348 -1.105 -3.518 235 HB3 ASP 32 HB2 ASP 32 13.530 -2.396 -3.742 236 H ASN 33 H ASN 33 9.872 -2.063 -3.791 237 HA ASN 33 HA ASN 33 9.857 -4.734 -2.566 238 HB2 ASN 33 HB3 ASN 33 7.923 -2.423 -2.290 239 HB3 ASN 33 HB2 ASN 33 7.927 -3.881 -1.299 240 HD21 ASN 33 HD22 ASN 33 9.218 -0.721 -1.563 241 HD22 ASN 33 HD21 ASN 33 10.419 -0.861 -0.372 242 H GLY 34 H GLY 34 9.263 -3.985 -5.522 243 HA2 GLY 34 HA3 GLY 34 6.652 -4.299 -6.310 244 HA3 GLY 34 HA2 GLY 34 7.976 -5.092 -7.166 245 H VAL 35 H VAL 35 8.458 -6.544 -4.436 246 HA VAL 35 HA VAL 35 7.240 -9.009 -5.106 247 HB VAL 35 HB VAL 35 8.092 -7.895 -2.415 248 HG11 VAL 35 HG11 VAL 35 6.651 -10.355 -3.110 249 HG12 VAL 35 HG12 VAL 35 6.904 -9.608 -1.532 250 HG13 VAL 35 HG13 VAL 35 8.146 -10.652 -2.224 251 HG21 VAL 35 HG21 VAL 35 10.131 -8.974 -2.792 252 HG22 VAL 35 HG22 VAL 35 9.718 -8.423 -4.416 253 HG23 VAL 35 HG23 VAL 35 9.432 -10.101 -3.955 254 H ILE 36 H ILE 36 6.099 -6.321 -3.116 255 HA ILE 36 HA ILE 36 3.664 -7.599 -2.236 256 HB ILE 36 HB ILE 36 4.889 -5.482 -1.310 257 HG12 ILE 36 HG13 ILE 36 1.874 -5.580 -1.655 258 HG13 ILE 36 HG12 ILE 36 2.798 -6.379 -0.385 259 HG21 ILE 36 HG21 ILE 36 4.293 -3.404 -2.251 260 HG22 ILE 36 HG22 ILE 36 2.955 -4.101 -3.165 261 HG23 ILE 36 HG23 ILE 36 4.618 -4.411 -3.663 262 HD11 ILE 36 HD11 ILE 36 2.622 -3.389 -0.843 263 HD12 ILE 36 HD12 ILE 36 3.615 -4.167 0.390 264 HD13 ILE 36 HD13 ILE 36 1.857 -4.285 0.469 265 H ASP 37 H ASP 37 4.596 -5.888 -5.123 266 HA ASP 37 HA ASP 37 2.052 -5.008 -6.008 267 HB2 ASP 37 HB3 ASP 37 4.457 -5.891 -7.617 268 HB3 ASP 37 HB2 ASP 37 3.049 -5.083 -8.300 269 H SER 38 H SER 38 3.503 -8.228 -6.171 270 HA SER 38 HA SER 38 1.099 -9.134 -7.699 271 HB2 SER 38 2HB SER 38 3.495 -10.876 -7.358 272 HB3 SER 38 1HB SER 38 2.386 -10.747 -8.720 273 H LEU 39 H LEU 39 3.344 -10.631 -5.341 274 HA LEU 39 HA LEU 39 1.355 -12.480 -4.434 275 HB2 LEU 39 HB3 LEU 39 3.826 -12.818 -4.230 276 HB3 LEU 39 HB2 LEU 39 3.838 -11.593 -2.967 277 HG LEU 39 HG LEU 39 1.830 -13.728 -2.601 278 HD11 LEU 39 HD11 LEU 39 3.727 -15.191 -1.610 279 HD12 LEU 39 HD12 LEU 39 4.799 -14.259 -2.656 280 HD13 LEU 39 HD13 LEU 39 3.498 -15.220 -3.359 281 HD21 LEU 39 HD21 LEU 39 2.292 -13.358 -0.338 282 HD22 LEU 39 HD22 LEU 39 2.642 -11.775 -1.030 283 HD23 LEU 39 HD23 LEU 39 3.960 -12.884 -0.655 284 H GLY 40 H GLY 40 2.681 -9.555 -2.887 285 HA2 GLY 40 HA3 GLY 40 0.849 -9.683 -0.663 286 HA3 GLY 40 HA2 GLY 40 1.825 -8.289 -1.105 287 H LEU 41 H LEU 41 0.830 -7.935 -3.748 288 HA LEU 41 HA LEU 41 -1.431 -6.300 -3.256 289 HB2 LEU 41 HB3 LEU 41 0.106 -6.146 -5.249 290 HB3 LEU 41 HB2 LEU 41 -0.691 -7.576 -5.904 291 HG LEU 41 HG LEU 41 -2.514 -5.410 -5.032 292 HD11 LEU 41 HD11 LEU 41 -2.086 -4.216 -7.250 293 HD12 LEU 41 HD12 LEU 41 -0.559 -5.095 -7.319 294 HD13 LEU 41 HD13 LEU 41 -0.869 -3.970 -5.996 295 HD21 LEU 41 HD21 LEU 41 -2.410 -6.723 -7.734 296 HD22 LEU 41 HD22 LEU 41 -3.815 -6.209 -6.802 297 HD23 LEU 41 HD23 LEU 41 -2.933 -7.663 -6.338 298 H LEU 42 H LEU 42 -1.208 -9.634 -4.452 299 HA LEU 42 HA LEU 42 -3.990 -9.975 -5.006 300 HB2 LEU 42 HB3 LEU 42 -2.171 -11.586 -5.668 301 HB3 LEU 42 HB2 LEU 42 -2.061 -12.080 -3.986 302 HG LEU 42 HG LEU 42 -4.626 -12.496 -4.177 303 HD11 LEU 42 HD11 LEU 42 -4.192 -13.214 -6.988 304 HD12 LEU 42 HD12 LEU 42 -4.183 -11.476 -6.701 305 HD13 LEU 42 HD13 LEU 42 -5.582 -12.439 -6.229 306 HD21 LEU 42 HD21 LEU 42 -3.248 -14.376 -3.817 307 HD22 LEU 42 HD22 LEU 42 -2.414 -14.172 -5.358 308 HD23 LEU 42 HD23 LEU 42 -4.074 -14.765 -5.326 309 H LYS 43 H LYS 43 -2.085 -10.521 -2.047 310 HA LYS 43 HA LYS 43 -4.325 -11.409 -0.470 311 HB2 LYS 43 HB3 LYS 43 -1.668 -10.212 0.328 312 HB3 LYS 43 HB2 LYS 43 -2.809 -10.938 1.453 313 HG2 LYS 43 HG3 LYS 43 -2.684 -13.063 0.146 314 HG3 LYS 43 HG2 LYS 43 -1.444 -12.326 -0.869 315 HD2 LYS 43 HD3 LYS 43 -0.060 -11.938 1.175 316 HD3 LYS 43 HD2 LYS 43 -1.272 -12.803 2.121 317 HE2 LYS 43 HE3 LYS 43 -0.863 -14.847 0.962 318 HE3 LYS 43 HE2 LYS 43 0.065 -14.032 -0.296 319 HZ1 LYS 43 HZ1 LYS 43 1.566 -13.332 1.654 320 HZ2 LYS 43 HZ2 LYS 43 1.694 -14.913 1.053 321 HZ3 LYS 43 HZ3 LYS 43 0.831 -14.618 2.487 322 H VAL 44 H VAL 44 -2.791 -8.250 -0.995 323 HA VAL 44 HA VAL 44 -4.320 -6.825 0.963 324 HB VAL 44 HB VAL 44 -2.979 -5.887 -1.584 325 HG11 VAL 44 HG11 VAL 44 -3.088 -3.671 -0.111 326 HG12 VAL 44 HG12 VAL 44 -4.527 -4.458 0.539 327 HG13 VAL 44 HG13 VAL 44 -4.413 -4.115 -1.187 328 HG21 VAL 44 HG21 VAL 44 -1.961 -5.156 1.095 329 HG22 VAL 44 HG22 VAL 44 -1.078 -5.679 -0.339 330 HG23 VAL 44 HG23 VAL 44 -1.851 -6.872 0.704 331 H ILE 45 H ILE 45 -4.836 -7.284 -2.539 332 HA ILE 45 HA ILE 45 -7.217 -5.716 -2.686 333 HB ILE 45 HB ILE 45 -5.893 -7.788 -4.364 334 HG12 ILE 45 HG13 ILE 45 -6.041 -6.061 -6.036 335 HG13 ILE 45 HG12 ILE 45 -7.230 -5.168 -5.090 336 HG21 ILE 45 HG21 ILE 45 -8.079 -8.706 -4.492 337 HG22 ILE 45 HG22 ILE 45 -7.936 -7.672 -5.913 338 HG23 ILE 45 HG23 ILE 45 -8.834 -7.111 -4.503 339 HD11 ILE 45 HD11 ILE 45 -5.651 -4.348 -3.620 340 HD12 ILE 45 HD12 ILE 45 -4.640 -4.512 -5.055 341 HD13 ILE 45 HD13 ILE 45 -4.600 -5.751 -3.803 342 H ALA 46 H ALA 46 -6.698 -9.182 -2.073 343 HA ALA 46 HA ALA 46 -9.477 -9.879 -1.949 344 HB1 ALA 46 HB1 ALA 46 -8.506 -11.806 -0.481 345 HB2 ALA 46 HB2 ALA 46 -6.939 -11.120 -0.913 346 HB3 ALA 46 HB3 ALA 46 -8.022 -11.708 -2.175 347 H TRP 47 H TRP 47 -7.145 -8.911 0.569 348 HA TRP 47 HA TRP 47 -9.117 -9.147 2.700 349 HB2 TRP 47 HB3 TRP 47 -7.016 -9.363 3.610 350 HB3 TRP 47 HB2 TRP 47 -6.287 -8.247 2.456 351 HD1 TRP 47 HD1 TRP 47 -8.159 -8.345 5.773 352 HE1 TRP 47 HE1 TRP 47 -7.979 -6.031 6.898 353 HE3 TRP 47 HE3 TRP 47 -5.992 -5.692 1.992 354 HZ2 TRP 47 HZ2 TRP 47 -7.034 -3.401 6.272 355 HZ3 TRP 47 HZ3 TRP 47 -5.460 -3.291 2.278 356 HH2 TRP 47 HH2 TRP 47 -5.979 -2.143 4.411 357 H LEU 48 H LEU 48 -7.646 -6.431 0.921 358 HA LEU 48 HA LEU 48 -8.931 -4.332 2.298 359 HB2 LEU 48 HB3 LEU 48 -7.110 -4.096 0.582 360 HB3 LEU 48 HB2 LEU 48 -8.304 -4.423 -0.664 361 HG LEU 48 HG LEU 48 -9.614 -2.475 0.565 362 HD11 LEU 48 HD11 LEU 48 -7.832 -2.340 2.328 363 HD12 LEU 48 HD12 LEU 48 -8.116 -0.813 1.493 364 HD13 LEU 48 HD13 LEU 48 -6.713 -1.799 1.080 365 HD21 LEU 48 HD21 LEU 48 -9.177 -2.034 -1.659 366 HD22 LEU 48 HD22 LEU 48 -7.474 -2.471 -1.514 367 HD23 LEU 48 HD23 LEU 48 -8.035 -0.902 -0.933 368 H GLU 49 H GLU 49 -10.052 -6.227 -0.510 369 HA GLU 49 HA GLU 49 -12.496 -4.771 -0.871 370 HB2 GLU 49 HB3 GLU 49 -11.792 -6.201 -2.653 371 HB3 GLU 49 HB2 GLU 49 -11.663 -7.592 -1.580 372 HG2 GLU 49 HG3 GLU 49 -14.331 -6.331 -1.630 373 HG3 GLU 49 HG2 GLU 49 -13.837 -7.065 -3.154 374 H ASP 50 H ASP 50 -11.662 -7.627 1.062 375 HA ASP 50 HA ASP 50 -14.324 -8.143 2.000 376 HB2 ASP 50 HB3 ASP 50 -12.390 -9.746 2.094 377 HB3 ASP 50 HB2 ASP 50 -11.728 -8.769 3.403 378 H ARG 51 H ARG 51 -11.599 -6.371 3.450 379 HA ARG 51 HA ARG 51 -12.929 -5.688 5.874 380 HB2 ARG 51 HB3 ARG 51 -10.476 -5.494 5.504 381 HB3 ARG 51 HB2 ARG 51 -10.772 -4.111 4.449 382 HG2 ARG 51 HG3 ARG 51 -11.870 -2.922 6.315 383 HG3 ARG 51 HG2 ARG 51 -11.560 -4.300 7.372 384 HD2 ARG 51 HD3 ARG 51 -9.119 -4.028 6.954 385 HD3 ARG 51 HD2 ARG 51 -9.469 -2.589 5.996 386 HE ARG 51 HE ARG 51 -10.545 -2.541 8.730 387 HH11 ARG 51 HH22 ARG 51 -7.981 -1.804 6.547 388 HH12 ARG 51 HH21 ARG 51 -7.320 -0.546 7.538 389 HH21 ARG 51 HH11 ARG 51 -9.697 -0.903 10.037 390 HH22 ARG 51 HH12 ARG 51 -8.292 -0.037 9.514 391 H PHE 52 H PHE 52 -12.721 -3.895 2.781 392 HA PHE 52 HA PHE 52 -14.631 -1.916 3.915 393 HB2 PHE 52 HB3 PHE 52 -12.869 -1.834 1.453 394 HB3 PHE 52 HB2 PHE 52 -13.975 -0.552 1.935 395 HD1 PHE 52 HD2 PHE 52 -13.656 0.602 4.153 396 HD2 PHE 52 HD1 PHE 52 -10.752 -2.107 2.519 397 HE1 PHE 52 HE2 PHE 52 -11.948 1.493 5.713 398 HE2 PHE 52 HE1 PHE 52 -9.043 -1.216 4.080 399 HZ PHE 52 HZ PHE 52 -9.641 0.584 5.677 400 H GLY 53 H GLY 53 -14.676 -4.699 2.042 401 HA2 GLY 53 HA3 GLY 53 -16.411 -5.642 0.757 402 HA3 GLY 53 HA2 GLY 53 -17.429 -4.303 1.292 403 H ILE 54 H ILE 54 -14.365 -3.778 -0.345 404 HA ILE 54 HA ILE 54 -15.891 -2.541 -2.591 405 HB ILE 54 HB ILE 54 -12.975 -2.207 -1.829 406 HG12 ILE 54 HG13 ILE 54 -15.263 -0.279 -1.356 407 HG13 ILE 54 HG12 ILE 54 -14.686 -1.401 -0.122 408 HG21 ILE 54 HG21 ILE 54 -14.813 -0.804 -3.784 409 HG22 ILE 54 HG22 ILE 54 -13.315 -1.662 -4.144 410 HG23 ILE 54 HG23 ILE 54 -13.267 -0.132 -3.268 411 HD11 ILE 54 HD11 ILE 54 -13.000 0.690 -1.529 412 HD12 ILE 54 HD12 ILE 54 -12.422 -0.440 -0.304 413 HD13 ILE 54 HD13 ILE 54 -13.602 0.799 0.125 414 H ALA 55 H ALA 55 -15.749 -3.421 -4.612 415 HA ALA 55 HA ALA 55 -14.573 -5.989 -5.033 416 HB1 ALA 55 HB1 ALA 55 -15.518 -3.857 -6.965 417 HB2 ALA 55 HB2 ALA 55 -16.383 -5.309 -6.460 418 HB3 ALA 55 HB3 ALA 55 -14.956 -5.445 -7.487 419 H ALA 56 H ALA 56 -12.683 -6.555 -6.256 420 HA ALA 56 HA ALA 56 -10.365 -5.021 -5.724 421 HB1 ALA 56 HB1 ALA 56 -10.834 -7.073 -7.911 422 HB2 ALA 56 HB2 ALA 56 -10.247 -7.406 -6.281 423 HB3 ALA 56 HB3 ALA 56 -9.251 -6.481 -7.406 424 H ASP 57 H ASP 57 -12.606 -4.946 -8.431 425 HA ASP 57 HA ASP 57 -12.745 -3.504 -10.274 426 HB2 ASP 57 HB3 ASP 57 -11.221 -1.740 -8.349 427 HB3 ASP 57 HB2 ASP 57 -11.954 -1.175 -9.848 428 H ASP 58 H ASP 58 -10.731 -5.392 -10.546 429 HA ASP 58 HA ASP 58 -8.237 -4.043 -11.291 430 HB2 ASP 58 HB3 ASP 58 -8.282 -6.365 -10.362 431 HB3 ASP 58 HB2 ASP 58 -9.103 -6.888 -11.831 432 H VAL 59 H VAL 59 -8.106 -2.946 -13.182 433 HA VAL 59 HA VAL 59 -9.571 -4.048 -15.547 434 HB VAL 59 HB VAL 59 -10.794 -2.114 -15.227 435 HG11 VAL 59 HG11 VAL 59 -9.401 0.032 -14.451 436 HG12 VAL 59 HG12 VAL 59 -8.325 -1.210 -13.810 437 HG13 VAL 59 HG13 VAL 59 -10.007 -1.145 -13.285 438 HG21 VAL 59 HG21 VAL 59 -8.396 -0.816 -16.528 439 HG22 VAL 59 HG22 VAL 59 -10.105 -0.514 -16.837 440 HG23 VAL 59 HG23 VAL 59 -9.364 -2.019 -17.379 441 H GLU 60 H GLU 60 -6.832 -2.050 -14.461 442 HA GLU 60 HA GLU 60 -4.997 -3.342 -16.255 443 HB2 GLU 60 HB3 GLU 60 -6.303 -1.990 -17.909 444 HB3 GLU 60 HB2 GLU 60 -5.812 -0.534 -17.052 445 HG2 GLU 60 HG3 GLU 60 -3.439 -1.155 -17.431 446 HG3 GLU 60 HG2 GLU 60 -3.980 -2.536 -18.377 447 H LEU 61 H LEU 61 -3.917 -3.341 -14.158 448 HA LEU 61 HA LEU 61 -2.987 -0.698 -13.192 449 HB2 LEU 61 HB3 LEU 61 -2.687 -3.470 -12.004 450 HB3 LEU 61 HB2 LEU 61 -2.122 -1.983 -11.249 451 HG LEU 61 HG LEU 61 -4.475 -1.121 -11.352 452 HD11 LEU 61 HD11 LEU 61 -5.701 -2.283 -12.907 453 HD12 LEU 61 HD12 LEU 61 -6.099 -3.260 -11.495 454 HD13 LEU 61 HD13 LEU 61 -4.843 -3.794 -12.610 455 HD21 LEU 61 HD21 LEU 61 -5.134 -2.223 -9.365 456 HD22 LEU 61 HD22 LEU 61 -3.377 -2.379 -9.375 457 HD23 LEU 61 HD23 LEU 61 -4.387 -3.741 -9.861 458 H SER 62 H SER 62 -0.793 -0.137 -13.193 459 HA SER 62 HA SER 62 1.059 -2.047 -14.548 460 HB2 SER 62 HB3 SER 62 0.191 0.567 -15.424 461 HB3 SER 62 HB2 SER 62 1.928 0.574 -15.130 462 HG SER 62 HG SER 62 2.208 -0.853 -16.692 463 HA PRO 63 HA PRO 63 3.958 -1.372 -11.322 464 HB2 PRO 63 HB2 PRO 63 6.278 -0.780 -12.750 465 HB3 PRO 63 HB3 PRO 63 5.669 -2.410 -12.418 466 HG2 PRO 63 HG3 PRO 63 5.461 -0.776 -14.880 467 HG3 PRO 63 HG2 PRO 63 5.622 -2.530 -14.692 468 HD2 PRO 63 HD3 PRO 63 3.259 -1.340 -15.337 469 HD3 PRO 63 HD2 PRO 63 3.346 -2.844 -14.395 470 H GLU 64 H GLU 64 3.606 1.128 -13.732 471 HA GLU 64 HA GLU 64 5.199 3.164 -12.528 472 HB2 GLU 64 HB3 GLU 64 2.691 3.384 -14.196 473 HB3 GLU 64 HB2 GLU 64 3.744 4.734 -13.804 474 HG2 GLU 64 HG3 GLU 64 5.627 3.543 -14.885 475 HG3 GLU 64 HG2 GLU 64 4.522 2.250 -15.336 476 H HIS 65 H HIS 65 1.972 1.976 -11.816 477 HA HIS 65 HA HIS 65 1.148 4.199 -10.181 478 HB2 HIS 65 HB3 HIS 65 -0.458 2.546 -11.055 479 HB3 HIS 65 HB2 HIS 65 0.290 1.291 -10.066 480 HD1 HIS 65 HD1 HIS 65 -1.071 4.809 -9.398 481 HD2 HIS 65 HD2 HIS 65 -1.111 0.991 -7.717 482 HE1 HIS 65 HE1 HIS 65 -2.454 4.970 -7.280 483 HE2 HIS 65 HE2 HIS 65 -2.488 2.652 -6.252 484 H PHE 66 H PHE 66 3.176 1.414 -9.605 485 HA PHE 66 HA PHE 66 3.180 1.950 -6.684 486 HB2 PHE 66 HB3 PHE 66 4.557 -0.233 -8.281 487 HB3 PHE 66 HB2 PHE 66 4.462 -0.139 -6.521 488 HD1 PHE 66 HD2 PHE 66 2.576 -0.743 -9.625 489 HD2 PHE 66 HD1 PHE 66 2.367 -0.573 -5.340 490 HE1 PHE 66 HE2 PHE 66 0.364 -1.858 -9.692 491 HE2 PHE 66 HE1 PHE 66 0.151 -1.686 -5.405 492 HZ PHE 66 HZ PHE 66 -0.850 -2.327 -7.583 493 H ARG 67 H ARG 67 4.622 3.295 -9.233 494 HA ARG 67 HA ARG 67 7.404 3.177 -8.811 495 HB2 ARG 67 HB3 ARG 67 6.306 4.329 -10.728 496 HB3 ARG 67 HB2 ARG 67 5.787 5.607 -9.636 497 HG2 ARG 67 HG3 ARG 67 7.755 6.475 -10.587 498 HG3 ARG 67 HG2 ARG 67 8.309 5.823 -9.050 499 HD2 ARG 67 HD3 ARG 67 9.069 3.770 -10.164 500 HD3 ARG 67 HD2 ARG 67 8.456 4.367 -11.705 501 HE ARG 67 HE ARG 67 10.934 5.195 -10.404 502 HH11 ARG 67 HH22 ARG 67 8.367 6.010 -12.555 503 HH12 ARG 67 HH21 ARG 67 9.300 7.167 -13.444 504 HH21 ARG 67 HH11 ARG 67 12.168 6.701 -11.552 505 HH22 ARG 67 HH12 ARG 67 11.453 7.558 -12.876 506 H SER 68 H SER 68 4.933 5.036 -7.104 507 HA SER 68 HA SER 68 6.931 5.577 -4.981 508 HB2 SER 68 HB3 SER 68 6.425 7.941 -4.887 509 HB3 SER 68 HB2 SER 68 6.902 7.552 -6.538 510 HG SER 68 HG SER 68 4.555 7.267 -6.891 511 H ILE 69 H ILE 69 5.955 5.999 -2.918 512 HA ILE 69 HA ILE 69 3.488 4.628 -2.447 513 HB ILE 69 HB ILE 69 5.010 6.567 -0.683 514 HG12 ILE 69 HG13 ILE 69 5.055 3.549 -0.732 515 HG13 ILE 69 HG12 ILE 69 6.269 4.551 -1.511 516 HG21 ILE 69 HG21 ILE 69 3.263 6.316 0.703 517 HG22 ILE 69 HG22 ILE 69 3.704 4.614 0.825 518 HG23 ILE 69 HG23 ILE 69 2.518 5.133 -0.371 519 HD11 ILE 69 HD11 ILE 69 5.590 4.928 1.397 520 HD12 ILE 69 HD12 ILE 69 7.052 5.413 0.538 521 HD13 ILE 69 HD13 ILE 69 6.760 3.710 0.890 522 H ARG 70 H ARG 70 4.317 8.049 -2.822 523 HA ARG 70 HA ARG 70 1.866 9.166 -1.923 524 HB2 ARG 70 HB3 ARG 70 3.928 10.474 -2.421 525 HB3 ARG 70 HB2 ARG 70 3.650 10.204 -4.142 526 HG2 ARG 70 HG3 ARG 70 1.470 11.336 -3.980 527 HG3 ARG 70 HG2 ARG 70 1.725 11.592 -2.254 528 HD2 ARG 70 HD3 ARG 70 2.347 13.632 -3.383 529 HD3 ARG 70 HD2 ARG 70 3.834 12.854 -2.840 530 HE ARG 70 HE ARG 70 3.144 12.060 -5.540 531 HH11 ARG 70 HH22 ARG 70 4.498 14.533 -3.555 532 HH12 ARG 70 HH21 ARG 70 5.508 15.172 -4.810 533 HH21 ARG 70 HH11 ARG 70 4.455 12.880 -7.189 534 HH22 ARG 70 HH12 ARG 70 5.483 14.235 -6.867 535 H SER 71 H SER 71 2.779 7.919 -5.140 536 HA SER 71 HA SER 71 0.486 8.806 -6.548 537 HB2 SER 71 HB3 SER 71 1.959 6.187 -6.945 538 HB3 SER 71 HB2 SER 71 0.985 7.037 -8.138 539 HG SER 71 HG SER 71 3.404 7.332 -8.094 540 H ILE 72 H ILE 72 1.010 5.811 -4.681 541 HA ILE 72 HA ILE 72 -1.608 4.739 -5.170 542 HB ILE 72 HB ILE 72 0.308 4.240 -2.872 543 HG12 ILE 72 HG13 ILE 72 -0.090 2.712 -5.465 544 HG13 ILE 72 HG12 ILE 72 1.247 3.821 -5.158 545 HG21 ILE 72 HG21 ILE 72 -0.919 2.105 -2.674 546 HG22 ILE 72 HG22 ILE 72 -2.021 2.630 -3.947 547 HG23 ILE 72 HG23 ILE 72 -1.980 3.487 -2.407 548 HD11 ILE 72 HD11 ILE 72 0.630 1.233 -3.718 549 HD12 ILE 72 HD12 ILE 72 1.788 2.415 -3.108 550 HD13 ILE 72 HD13 ILE 72 2.068 1.625 -4.660 551 H ASP 73 H ASP 73 -0.225 6.791 -2.637 552 HA ASP 73 HA ASP 73 -2.387 6.776 -0.820 553 HB2 ASP 73 HB3 ASP 73 -0.142 7.833 -0.431 554 HB3 ASP 73 HB2 ASP 73 -0.634 9.154 -1.491 555 H ALA 74 H ALA 74 -1.887 8.759 -3.733 556 HA ALA 74 HA ALA 74 -4.178 10.432 -3.326 557 HB1 ALA 74 HB1 ALA 74 -2.128 10.308 -5.182 558 HB2 ALA 74 HB2 ALA 74 -3.510 11.401 -5.261 559 HB3 ALA 74 HB3 ALA 74 -3.547 9.868 -6.133 560 H PHE 75 H PHE 75 -3.763 7.346 -5.047 561 HA PHE 75 HA PHE 75 -6.403 7.237 -6.131 562 HB2 PHE 75 HB3 PHE 75 -4.546 5.725 -6.808 563 HB3 PHE 75 HB2 PHE 75 -4.678 4.917 -5.248 564 HD1 PHE 75 HD2 PHE 75 -6.422 5.620 -8.439 565 HD2 PHE 75 HD1 PHE 75 -6.483 3.398 -4.763 566 HE1 PHE 75 HE2 PHE 75 -8.257 4.207 -9.324 567 HE2 PHE 75 HE1 PHE 75 -8.318 1.984 -5.649 568 HZ PHE 75 HZ PHE 75 -9.205 2.389 -7.929 569 H VAL 76 H VAL 76 -5.094 5.870 -3.094 570 HA VAL 76 HA VAL 76 -7.617 4.852 -2.193 571 HB VAL 76 HB VAL 76 -5.080 5.610 -0.724 572 HG11 VAL 76 HG11 VAL 76 -6.746 5.760 0.938 573 HG12 VAL 76 HG12 VAL 76 -6.164 4.101 1.074 574 HG13 VAL 76 HG13 VAL 76 -7.682 4.438 0.243 575 HG21 VAL 76 HG21 VAL 76 -5.294 3.620 -2.422 576 HG22 VAL 76 HG22 VAL 76 -6.209 2.848 -1.127 577 HG23 VAL 76 HG23 VAL 76 -4.535 3.332 -0.856 578 H VAL 77 H VAL 77 -5.869 7.897 -1.449 579 HA VAL 77 HA VAL 77 -7.827 8.924 0.346 580 HB VAL 77 HB VAL 77 -5.785 10.250 -1.444 581 HG11 VAL 77 HG11 VAL 77 -7.327 11.983 -1.245 582 HG12 VAL 77 HG12 VAL 77 -6.337 12.231 0.194 583 HG13 VAL 77 HG13 VAL 77 -7.901 11.426 0.326 584 HG21 VAL 77 HG21 VAL 77 -5.235 8.843 0.684 585 HG22 VAL 77 HG22 VAL 77 -5.898 10.217 1.571 586 HG23 VAL 77 HG23 VAL 77 -4.497 10.437 0.522 587 H GLY 78 H GLY 78 -7.512 9.115 -3.177 588 HA2 GLY 78 HA3 GLY 78 -9.564 10.998 -3.681 589 HA3 GLY 78 HA2 GLY 78 -9.083 9.726 -4.804 590 H ALA 79 H ALA 79 -9.757 7.545 -2.924 591 HA ALA 79 HA ALA 79 -12.713 7.686 -3.269 592 HB1 ALA 79 HB1 ALA 79 -11.681 5.828 -4.438 593 HB2 ALA 79 HB2 ALA 79 -12.604 5.193 -3.076 594 HB3 ALA 79 HB3 ALA 79 -10.848 5.322 -2.969 595 H THR 80 H THR 80 -10.300 6.455 -0.933 596 HA THR 80 HA THR 80 -11.918 7.458 1.285 597 HB THR 80 HB THR 80 -12.972 5.236 0.620 598 HG1 THR 80 HG1 THR 80 -12.938 6.235 2.781 599 HG21 THR 80 HG21 THR 80 -11.769 3.311 0.608 600 HG22 THR 80 HG22 THR 80 -10.832 3.777 2.028 601 HG23 THR 80 HG23 THR 80 -10.379 4.382 0.435 602 H THR 81 H THR 81 -10.724 7.487 3.253 603 HA THR 81 HA THR 81 -7.917 6.493 3.070 604 HB THR 81 HB THR 81 -7.766 8.850 2.664 605 HG1 THR 81 HG1 THR 81 -6.231 8.294 4.111 606 HG21 THR 81 HG21 THR 81 -10.035 8.907 4.507 607 HG22 THR 81 HG22 THR 81 -9.570 10.066 3.263 608 HG23 THR 81 HG23 THR 81 -8.840 10.153 4.866 609 HA PRO 82 HA PRO 82 -9.723 5.151 7.066 610 HB2 PRO 82 HB2 PRO 82 -9.258 2.523 6.829 611 HB3 PRO 82 HB3 PRO 82 -10.584 3.308 5.949 612 HG2 PRO 82 HG3 PRO 82 -7.962 2.355 4.954 613 HG3 PRO 82 HG2 PRO 82 -9.527 2.431 4.130 614 HD2 PRO 82 HD3 PRO 82 -7.398 4.309 3.908 615 HD3 PRO 82 HD2 PRO 82 -9.043 4.483 3.258 616 HA PRO 83 HA PRO 83 -5.406 5.035 8.610 617 HB2 PRO 83 HB2 PRO 83 -5.897 6.132 11.050 618 HB3 PRO 83 HB3 PRO 83 -5.744 7.105 9.575 619 HG2 PRO 83 HG3 PRO 83 -8.169 6.319 11.079 620 HG3 PRO 83 HG2 PRO 83 -7.832 7.795 10.162 621 HD2 PRO 83 HD3 PRO 83 -9.376 5.646 9.253 622 HD3 PRO 83 HD2 PRO 83 -8.671 6.912 8.226 623 H VAL 84 H VAL 84 -4.429 3.368 9.749 624 HA VAL 84 HA VAL 84 -6.086 1.882 11.739 625 HB VAL 84 HB VAL 84 -6.080 0.690 9.537 626 HG11 VAL 84 HG11 VAL 84 -4.174 0.292 8.382 627 HG12 VAL 84 HG12 VAL 84 -3.290 -0.182 9.833 628 HG13 VAL 84 HG13 VAL 84 -3.453 1.524 9.417 629 HG21 VAL 84 HG21 VAL 84 -4.660 -0.556 11.903 630 HG22 VAL 84 HG22 VAL 84 -5.158 -1.492 10.495 631 HG23 VAL 84 HG23 VAL 84 -6.368 -0.675 11.484 632 H GLU 85 H GLU 85 -4.933 1.167 13.531 633 HA GLU 85 HA GLU 85 -2.439 2.436 14.130 634 HB2 GLU 85 HB3 GLU 85 -3.811 0.074 15.445 635 HB3 GLU 85 HB2 GLU 85 -2.428 0.932 16.125 636 HG2 GLU 85 HG3 GLU 85 -3.745 3.040 16.086 637 HG3 GLU 85 HG2 GLU 85 -5.135 2.138 15.481 638 H ALA 86 H ALA 86 -3.226 -0.785 12.886 639 HA ALA 86 HA ALA 86 -0.340 -1.140 12.269 640 HB1 ALA 86 HB1 ALA 86 -0.058 -2.938 13.607 641 HB2 ALA 86 HB2 ALA 86 -1.588 -3.647 13.091 642 HB3 ALA 86 HB3 ALA 86 -1.561 -2.463 14.398 643 H LYS 87 H LYS 87 0.021 -2.664 10.518 644 HA LYS 87 HA LYS 87 -1.868 -2.499 8.409 645 HB2 LYS 87 HB3 LYS 87 0.591 -2.999 8.158 646 HB3 LYS 87 HB2 LYS 87 0.259 -4.635 8.729 647 HG2 LYS 87 HG3 LYS 87 -1.365 -4.926 6.864 648 HG3 LYS 87 HG2 LYS 87 -0.937 -3.321 6.272 649 HD2 LYS 87 HD3 LYS 87 1.474 -4.123 6.173 650 HD3 LYS 87 HD2 LYS 87 0.859 -5.749 6.471 651 HE2 LYS 87 HE3 LYS 87 0.643 -4.062 4.035 652 HE3 LYS 87 HE2 LYS 87 0.755 -5.816 4.184 653 HZ1 LYS 87 HZ1 LYS 87 -1.487 -6.022 4.551 654 HZ2 LYS 87 HZ2 LYS 87 -1.460 -4.731 3.452 655 HZ3 LYS 87 HZ3 LYS 87 -1.667 -4.429 5.111 656 H LEU 88 H LEU 88 -1.323 -5.018 10.840 657 HA LEU 88 HA LEU 88 -3.498 -6.653 9.665 658 HB2 LEU 88 HB3 LEU 88 -1.783 -7.198 12.107 659 HB3 LEU 88 HB2 LEU 88 -2.836 -8.349 11.284 660 HG LEU 88 HG LEU 88 -0.375 -7.016 10.119 661 HD11 LEU 88 HD11 LEU 88 -0.329 -9.069 11.802 662 HD12 LEU 88 HD12 LEU 88 0.711 -9.049 10.378 663 HD13 LEU 88 HD13 LEU 88 -0.792 -9.972 10.359 664 HD21 LEU 88 HD21 LEU 88 -0.967 -8.825 8.283 665 HD22 LEU 88 HD22 LEU 88 -1.753 -7.246 8.253 666 HD23 LEU 88 HD23 LEU 88 -2.599 -8.640 8.924 667 H GLN 89 H GLN 89 -5.480 -6.959 10.700 668 HA GLN 89 HA GLN 89 -6.679 -4.957 12.176 669 HB2 GLN 89 HB3 GLN 89 -7.173 -7.940 12.431 670 HB3 GLN 89 HB2 GLN 89 -8.267 -6.688 13.021 671 HG2 GLN 89 HG3 GLN 89 -8.520 -5.805 10.744 672 HG3 GLN 89 HG2 GLN 89 -7.389 -7.014 10.137 673 HE21 GLN 89 HE22 GLN 89 -10.058 -6.922 9.144 674 HE22 GLN 89 HE21 GLN 89 -10.884 -8.307 9.675 675 H1 PN7 101 3HO SAT 38 0.993 -6.417 -9.116 676 H2 PN7 101 1H1 SAT 38 2.542 -7.679 -11.935 677 H3 PN7 101 2H1 SAT 38 4.178 -7.155 -12.333 678 H5 PN7 101 3HE1 SAT 38 1.920 -4.239 -12.941 679 H6 PN7 101 1HE1 SAT 38 1.897 -5.926 -13.460 680 H7 PN7 101 2HE1 SAT 38 3.379 -4.981 -13.597 681 H8 PN7 101 2HE2 SAT 38 4.397 -5.053 -10.143 682 H9 PN7 101 3HE2 SAT 38 3.711 -3.683 -11.016 683 H10 PN7 101 1HE2 SAT 38 4.870 -4.747 -11.814 684 H11 PN7 101 3H SAT 38 1.737 -4.474 -10.181 685 H12 PN7 101 5H SAT 38 -0.462 -3.835 -11.507 686 H13 PN7 101 2H6 SAT 38 -2.151 -4.234 -9.916 687 H14 PN7 101 1H6 SAT 38 -1.285 -5.694 -9.440 688 H15 PN7 101 1H7 SAT 38 -2.259 -6.252 -12.008 689 H16 PN7 101 2H7 SAT 38 -3.584 -5.415 -11.199 690 H17 PN7 101 9H SAT 38 -1.337 -8.170 -10.859 691 H18 PN7 101 2H10 SAT 38 -3.095 -9.265 -8.720 692 H19 PN7 101 1H10 SAT 38 -1.411 -8.907 -8.337 693 H20 PN7 101 1H11 SAT 38 -1.138 -11.107 -8.940 694 H21 PN7 101 2H11 SAT 38 -1.043 -10.400 -10.553 695 H22 PN7 101 2HS1 SAT 38 -3.134 -12.326 -9.735
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