NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
23931 | 2jz8 | 15610 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 -5.453 -13.660 4.715 2 H1 MET 1 HT1 MET 1 -3.732 -14.724 6.010 3 H2 MET 1 HT2 MET 1 -3.732 -16.057 4.960 4 H3 MET 1 HT3 MET 1 -5.105 -15.711 5.889 5 HB2 MET 1 HB2 MET 1 -4.104 -13.115 2.749 6 HB3 MET 1 HB1 MET 1 -3.105 -13.178 4.193 7 HG2 MET 1 HG2 MET 1 -2.288 -15.371 3.563 8 HG3 MET 1 HG1 MET 1 -3.343 -15.377 2.151 9 HE1 MET 1 HE1 MET 1 -0.240 -13.641 3.869 10 HE2 MET 1 HE2 MET 1 -1.358 -12.307 3.582 11 HE3 MET 1 HE3 MET 1 0.151 -12.402 2.676 12 H ALA 2 HN ALA 2 -6.708 -13.600 2.779 13 HA ALA 2 HA ALA 2 -7.222 -16.274 1.637 14 HB1 ALA 2 HB1 ALA 2 -9.276 -14.160 2.280 15 HB2 ALA 2 HB2 ALA 2 -9.003 -15.642 3.196 16 HB3 ALA 2 HB3 ALA 2 -9.596 -15.726 1.537 17 H ASP 3 HN ASP 3 -7.246 -16.418 -0.496 18 HA ASP 3 HA ASP 3 -7.268 -15.936 -2.704 19 HB2 ASP 3 HB2 ASP 3 -8.688 -13.501 -1.680 20 HB3 ASP 3 HB1 ASP 3 -8.273 -13.647 -3.384 21 H TYR 4 HN TYR 4 -5.284 -14.534 -0.597 22 HA TYR 4 HA TYR 4 -3.376 -13.312 -0.664 23 HD1 TYR 4 HD1 TYR 4 -0.938 -13.935 -0.680 24 HD2 TYR 4 HD2 TYR 4 -1.747 -12.960 -4.744 25 HE1 TYR 4 HE1 TYR 4 1.302 -12.942 -0.883 26 HE2 TYR 4 HE2 TYR 4 0.491 -11.962 -4.956 27 HH TYR 4 HH TYR 4 2.227 -10.984 -3.486 28 HB2 TYR 4 HB2 TYR 4 -2.752 -15.149 -2.213 29 HB3 TYR 4 HB1 TYR 4 -3.316 -14.175 -3.564 30 H ASN 5 HN ASN 5 -4.815 -11.457 -0.357 31 HA ASN 5 HA ASN 5 -4.448 -9.528 -2.538 32 HB2 ASN 5 HB2 ASN 5 -6.831 -10.403 -2.451 33 HB3 ASN 5 HB1 ASN 5 -6.963 -9.658 -0.863 34 HD21 ASN 5 HD21 ASN 5 -8.422 -9.140 -3.336 35 HD22 ASN 5 HD22 ASN 5 -8.200 -7.461 -3.677 36 H ILE 6 HN ILE 6 -2.784 -8.509 -1.534 37 HA ILE 6 HA ILE 6 -3.004 -7.750 1.254 38 HB ILE 6 HB ILE 6 -0.712 -6.771 0.884 39 HG12 ILE 6 HG12 ILE 6 -1.024 -8.130 -1.806 40 HG13 ILE 6 HG11 ILE 6 -0.843 -6.401 -1.530 41 HG21 ILE 6 HG21 ILE 6 -1.131 -9.693 0.275 42 HG22 ILE 6 HG22 ILE 6 -1.009 -8.953 1.871 43 HG23 ILE 6 HG23 ILE 6 0.391 -8.972 0.799 44 HD11 ILE 6 HD11 ILE 6 1.216 -8.520 -0.954 45 HD12 ILE 6 HD12 ILE 6 1.403 -6.795 -0.635 46 HD13 ILE 6 HD13 ILE 6 1.234 -7.372 -2.293 47 HA PRO 7 HA PRO 7 -4.575 -3.711 0.954 48 HB2 PRO 7 HB2 PRO 7 -2.166 -2.720 2.394 49 HB3 PRO 7 HB1 PRO 7 -3.878 -2.521 2.787 50 HG2 PRO 7 HG2 PRO 7 -2.371 -4.237 4.146 51 HG3 PRO 7 HG1 PRO 7 -4.045 -4.639 3.717 52 HD2 PRO 7 HD2 PRO 7 -1.492 -5.587 2.493 53 HD3 PRO 7 HD1 PRO 7 -3.002 -6.474 2.783 54 H HIS 8 HN HIS 8 -4.530 -1.925 -0.296 55 HA HIS 8 HA HIS 8 -2.025 -1.267 -1.692 56 HD1 HIS 8 HD1 HIS 8 -1.558 -2.582 -4.199 57 HD2 HIS 8 HD2 HIS 8 -5.398 -3.836 -3.197 58 HE1 HIS 8 HE1 HIS 8 -1.732 -4.959 -5.008 59 HE2 HIS 8 HE2 HIS 8 -4.031 -5.728 -4.319 60 HB2 HIS 8 HB2 HIS 8 -4.826 -1.204 -2.848 61 HB3 HIS 8 HB1 HIS 8 -3.376 -0.640 -3.669 62 H PHE 9 HN PHE 9 -1.546 0.886 -1.867 63 HA PHE 9 HA PHE 9 -3.476 2.752 -0.675 64 HD1 PHE 9 HD2 PHE 9 -0.647 0.715 0.852 65 HD2 PHE 9 HD1 PHE 9 -2.596 4.356 1.884 66 HE1 PHE 9 HE2 PHE 9 -0.968 -0.111 3.145 67 HE2 PHE 9 HE1 PHE 9 -2.923 3.534 4.180 68 HZ PHE 9 HZ PHE 9 -2.109 1.295 4.813 69 HB2 PHE 9 HB2 PHE 9 -0.461 2.736 -0.556 70 HB3 PHE 9 HB1 PHE 9 -1.408 4.171 -0.173 71 H GLN 10 HN GLN 10 -3.437 4.936 -1.541 72 HA GLN 10 HA GLN 10 -2.882 4.858 -4.430 73 HB2 GLN 10 HB2 GLN 10 -4.898 6.311 -4.696 74 HB3 GLN 10 HB1 GLN 10 -5.258 4.691 -4.119 75 HG2 GLN 10 HG2 GLN 10 -5.590 5.488 -1.883 76 HG3 GLN 10 HG1 GLN 10 -5.019 7.096 -2.327 77 HE21 GLN 10 HE21 GLN 10 -6.914 8.062 -1.641 78 HE22 GLN 10 HE22 GLN 10 -8.388 7.937 -2.533 79 H ASN 11 HN ASN 11 -1.562 6.381 -5.140 80 HA ASN 11 HA ASN 11 -0.965 8.680 -3.469 81 HB2 ASN 11 HB2 ASN 11 0.194 7.740 -6.102 82 HB3 ASN 11 HB1 ASN 11 0.660 9.251 -5.328 83 HD21 ASN 11 HD21 ASN 11 2.780 8.612 -5.094 84 HD22 ASN 11 HD22 ASN 11 3.276 7.422 -3.942 85 H ASP 12 HN ASP 12 -2.316 10.339 -3.556 86 HA ASP 12 HA ASP 12 -3.999 10.916 -5.770 87 HB2 ASP 12 HB2 ASP 12 -4.459 13.057 -4.566 88 HB3 ASP 12 HB1 ASP 12 -4.678 11.632 -3.562 89 H LEU 13 HN LEU 13 -1.226 12.724 -4.455 90 HA LEU 13 HA LEU 13 -0.394 13.182 -7.248 91 HG LEU 13 HG LEU 13 0.635 14.354 -3.913 92 HB2 LEU 13 HB2 LEU 13 0.839 15.172 -6.470 93 HB3 LEU 13 HB1 LEU 13 -0.894 15.322 -6.265 94 HD11 LEU 13 HD11 LEU 13 0.720 17.221 -4.843 95 HD12 LEU 13 HD12 LEU 13 2.094 16.118 -4.765 96 HD13 LEU 13 HD13 LEU 13 1.281 16.621 -3.282 97 HD21 LEU 13 HD21 LEU 13 -1.780 14.659 -3.834 98 HD22 LEU 13 HD22 LEU 13 -1.593 16.348 -4.310 99 HD23 LEU 13 HD23 LEU 13 -0.968 15.794 -2.756 100 H GLY 14 HN GLY 14 0.412 12.090 -4.065 101 HA2 GLY 14 HA2 GLY 14 2.007 10.269 -3.904 102 HA3 GLY 14 HA1 GLY 14 2.966 11.079 -5.133 103 H TYR 15 HN TYR 15 2.148 10.931 -1.766 104 HA TYR 15 HA TYR 15 3.821 13.185 -1.074 105 HD1 TYR 15 HD1 TYR 15 1.946 14.057 -1.262 106 HD2 TYR 15 HD2 TYR 15 0.544 11.601 1.915 107 HE1 TYR 15 HE1 TYR 15 -0.288 15.057 -1.480 108 HE2 TYR 15 HE2 TYR 15 -1.693 12.595 1.701 109 HH TYR 15 HH TYR 15 -2.705 14.258 -0.941 110 HB2 TYR 15 HB2 TYR 15 2.630 11.093 0.763 111 HB3 TYR 15 HB1 TYR 15 3.311 12.646 1.240 112 H LYS 16 HN LYS 16 5.826 13.085 -0.144 113 HA LYS 16 HA LYS 16 7.433 11.040 -1.276 114 HB2 LYS 16 HB2 LYS 16 8.291 13.179 0.676 115 HB3 LYS 16 HB1 LYS 16 9.306 12.324 -0.483 116 HG2 LYS 16 HG2 LYS 16 8.090 13.344 -2.325 117 HG3 LYS 16 HG1 LYS 16 7.035 14.174 -1.184 118 HD2 LYS 16 HD2 LYS 16 9.186 15.211 -0.249 119 HD3 LYS 16 HD1 LYS 16 9.947 14.637 -1.736 120 HE2 LYS 16 HE2 LYS 16 7.615 16.536 -1.500 121 HE3 LYS 16 HE1 LYS 16 9.245 16.921 -2.049 122 HZ1 LYS 16 HZ1 LYS 16 8.931 15.593 -3.985 123 HZ2 LYS 16 HZ2 LYS 16 7.604 16.640 -3.867 124 HZ3 LYS 16 HZ3 LYS 16 7.438 15.010 -3.434 125 H ILE 17 HN ILE 17 6.255 11.640 1.973 126 HA ILE 17 HA ILE 17 7.419 9.033 2.726 127 HB ILE 17 HB ILE 17 7.035 11.390 4.588 128 HG12 ILE 17 HG12 ILE 17 9.607 10.169 3.556 129 HG13 ILE 17 HG11 ILE 17 8.922 11.690 2.997 130 HG21 ILE 17 HG21 ILE 17 8.211 9.998 6.228 131 HG22 ILE 17 HG22 ILE 17 8.255 8.671 5.067 132 HG23 ILE 17 HG23 ILE 17 6.709 9.246 5.691 133 HD11 ILE 17 HD11 ILE 17 9.868 11.102 5.792 134 HD12 ILE 17 HD12 ILE 17 9.176 12.626 5.236 135 HD13 ILE 17 HD13 ILE 17 10.715 12.066 4.582 136 H ILE 18 HN ILE 18 5.735 7.654 2.754 137 HA ILE 18 HA ILE 18 3.199 8.634 3.910 138 HB ILE 18 HB ILE 18 3.753 6.321 2.070 139 HG12 ILE 18 HG12 ILE 18 3.524 8.565 1.069 140 HG13 ILE 18 HG11 ILE 18 2.201 7.500 0.597 141 HG21 ILE 18 HG21 ILE 18 1.342 5.801 2.191 142 HG22 ILE 18 HG22 ILE 18 1.180 6.961 3.513 143 HG23 ILE 18 HG23 ILE 18 2.175 5.519 3.720 144 HD11 ILE 18 HD11 ILE 18 0.764 8.562 2.258 145 HD12 ILE 18 HD12 ILE 18 1.394 9.728 1.094 146 HD13 ILE 18 HD13 ILE 18 2.088 9.634 2.714 147 H GLU 19 HN GLU 19 2.460 7.934 5.777 148 HA GLU 19 HA GLU 19 3.894 5.879 7.265 149 HB2 GLU 19 HB2 GLU 19 1.473 7.399 8.222 150 HB3 GLU 19 HB1 GLU 19 2.744 6.664 9.183 151 HG2 GLU 19 HG2 GLU 19 3.100 9.075 7.423 152 HG3 GLU 19 HG1 GLU 19 2.804 9.126 9.159 153 H ILE 20 HN ILE 20 3.192 3.789 7.246 154 HA ILE 20 HA ILE 20 0.306 3.343 6.870 155 HB ILE 20 HB ILE 20 0.739 1.312 5.581 156 HG12 ILE 20 HG12 ILE 20 3.635 2.191 5.532 157 HG13 ILE 20 HG11 ILE 20 3.012 0.847 6.485 158 HG21 ILE 20 HG21 ILE 20 1.478 2.394 3.488 159 HG22 ILE 20 HG22 ILE 20 1.996 3.796 4.424 160 HG23 ILE 20 HG23 ILE 20 0.291 3.353 4.372 161 HD11 ILE 20 HD11 ILE 20 2.327 -0.283 4.430 162 HD12 ILE 20 HD12 ILE 20 4.058 0.054 4.449 163 HD13 ILE 20 HD13 ILE 20 2.974 1.057 3.484 164 H GLY 21 HN GLY 21 -0.590 1.552 7.925 165 HA2 GLY 21 HA2 GLY 21 0.988 0.717 10.255 166 HA3 GLY 21 HA1 GLY 21 -0.767 0.738 10.160 167 H VAL 22 HN VAL 22 0.744 -0.518 7.394 168 HA VAL 22 HA VAL 22 0.335 -3.268 8.359 169 HB VAL 22 HB VAL 22 -0.310 -3.899 6.042 170 HG11 VAL 22 HG11 VAL 22 -2.056 -1.797 7.315 171 HG12 VAL 22 HG12 VAL 22 -2.014 -3.509 7.738 172 HG13 VAL 22 HG13 VAL 22 -2.583 -3.007 6.145 173 HG21 VAL 22 HG21 VAL 22 -0.986 -2.160 4.460 174 HG22 VAL 22 HG22 VAL 22 0.732 -2.041 4.843 175 HG23 VAL 22 HG23 VAL 22 -0.416 -0.920 5.576 176 H LYS 23 HN LYS 23 1.785 -4.843 7.586 177 HA LYS 23 HA LYS 23 4.306 -3.674 6.661 178 HB2 LYS 23 HB2 LYS 23 3.819 -6.340 7.999 179 HB3 LYS 23 HB1 LYS 23 5.388 -5.669 7.576 180 HG2 LYS 23 HG2 LYS 23 4.900 -3.755 9.105 181 HG3 LYS 23 HG1 LYS 23 3.449 -4.615 9.622 182 HD2 LYS 23 HD2 LYS 23 4.879 -6.521 10.306 183 HD3 LYS 23 HD1 LYS 23 6.299 -5.564 9.882 184 HE2 LYS 23 HE2 LYS 23 5.985 -5.377 12.240 185 HE3 LYS 23 HE1 LYS 23 5.525 -3.836 11.515 186 HZ1 LYS 23 HZ1 LYS 23 3.205 -4.486 11.687 187 HZ2 LYS 23 HZ2 LYS 23 3.939 -4.546 13.208 188 HZ3 LYS 23 HZ3 LYS 23 3.640 -5.981 12.356 189 H GLU 24 HN GLU 24 1.716 -5.194 5.391 190 HA GLU 24 HA GLU 24 3.326 -6.381 3.229 191 HB2 GLU 24 HB2 GLU 24 0.449 -7.033 3.920 192 HB3 GLU 24 HB1 GLU 24 1.414 -7.791 2.666 193 HG2 GLU 24 HG2 GLU 24 1.521 -9.373 4.299 194 HG3 GLU 24 HG1 GLU 24 2.964 -8.433 4.675 195 H PHE 25 HN PHE 25 3.230 -5.306 1.326 196 HA PHE 25 HA PHE 25 0.857 -3.742 0.699 197 HD1 PHE 25 HD2 PHE 25 0.156 -1.235 0.533 198 HD2 PHE 25 HD1 PHE 25 4.186 -1.256 -0.826 199 HE1 PHE 25 HE2 PHE 25 -0.390 0.515 -1.102 200 HE2 PHE 25 HE1 PHE 25 3.645 0.493 -2.466 201 HZ PHE 25 HZ PHE 25 1.356 1.382 -2.607 202 HB2 PHE 25 HB2 PHE 25 2.170 -2.131 1.918 203 HB3 PHE 25 HB1 PHE 25 3.613 -2.537 0.994 204 H MET 26 HN MET 26 0.545 -3.363 -1.468 205 HA MET 26 HA MET 26 2.688 -4.191 -3.301 206 HB2 MET 26 HB2 MET 26 0.811 -5.905 -3.094 207 HB3 MET 26 HB1 MET 26 -0.235 -4.703 -3.842 208 HG2 MET 26 HG2 MET 26 0.531 -6.218 -5.525 209 HG3 MET 26 HG1 MET 26 1.285 -4.646 -5.783 210 HE1 MET 26 HE1 MET 26 3.053 -5.766 -7.409 211 HE2 MET 26 HE2 MET 26 2.332 -7.354 -7.143 212 HE3 MET 26 HE3 MET 26 4.071 -7.133 -6.956 213 H CYS 27 HN CYS 27 3.261 -2.520 -4.507 214 HA CYS 27 HA CYS 27 1.825 -0.073 -4.411 215 HB2 CYS 27 HB2 CYS 27 4.270 -0.147 -4.568 216 HB3 CYS 27 HB1 CYS 27 4.153 -0.877 -6.163 217 H VAL 28 HN VAL 28 0.589 0.943 -5.879 218 HA VAL 28 HA VAL 28 -0.577 -0.670 -7.988 219 HB VAL 28 HB VAL 28 -1.275 2.186 -7.275 220 HG11 VAL 28 HG11 VAL 28 -2.209 1.363 -9.376 221 HG12 VAL 28 HG12 VAL 28 -3.475 1.618 -8.174 222 HG13 VAL 28 HG13 VAL 28 -2.913 -0.015 -8.532 223 HG21 VAL 28 HG21 VAL 28 -2.996 1.289 -5.772 224 HG22 VAL 28 HG22 VAL 28 -1.370 0.864 -5.235 225 HG23 VAL 28 HG23 VAL 28 -2.373 -0.340 -6.043 226 H GLY 29 HN GLY 29 -0.966 0.441 -10.143 227 HA2 GLY 29 HA2 GLY 29 0.428 2.551 -11.192 228 HA3 GLY 29 HA1 GLY 29 1.556 1.203 -11.260 229 H ALA 30 HN ALA 30 -0.358 -0.818 -11.676 230 HA ALA 30 HA ALA 30 -1.589 -1.910 -13.221 231 HB1 ALA 30 HB1 ALA 30 -3.174 -0.048 -13.010 232 HB2 ALA 30 HB2 ALA 30 -3.137 -0.710 -14.644 233 HB3 ALA 30 HB3 ALA 30 -2.320 0.813 -14.290 234 H THR 31 HN THR 31 -0.873 0.749 -15.428 235 HA THR 31 HA THR 31 0.542 -1.158 -17.119 236 HB THR 31 HB THR 31 0.439 0.708 -18.822 237 HG1 THR 31 HG1 THR 31 0.099 2.379 -17.176 238 HG21 THR 31 HG21 THR 31 -1.170 -1.136 -18.812 239 HG22 THR 31 HG22 THR 31 -1.943 0.374 -19.295 240 HG23 THR 31 HG23 THR 31 -2.179 -0.256 -17.665 241 H GLN 32 HN GLN 32 2.493 -1.337 -16.086 242 HA GLN 32 HA GLN 32 4.207 1.052 -16.166 243 HB2 GLN 32 HB2 GLN 32 4.051 -1.077 -14.027 244 HB3 GLN 32 HB1 GLN 32 5.385 0.060 -14.158 245 HG2 GLN 32 HG2 GLN 32 2.510 0.871 -13.809 246 HG3 GLN 32 HG1 GLN 32 3.655 0.675 -12.483 247 HE21 GLN 32 HE21 GLN 32 2.728 2.623 -15.207 248 HE22 GLN 32 HE22 GLN 32 3.745 3.979 -14.833 249 HA PRO 33 HA PRO 33 7.127 -1.563 -18.324 250 HB2 PRO 33 HB2 PRO 33 9.319 -0.147 -17.003 251 HB3 PRO 33 HB1 PRO 33 8.853 -0.136 -18.704 252 HG2 PRO 33 HG2 PRO 33 8.524 2.014 -17.111 253 HG3 PRO 33 HG1 PRO 33 7.408 1.634 -18.436 254 HD2 PRO 33 HD2 PRO 33 7.101 1.135 -15.496 255 HD3 PRO 33 HD1 PRO 33 5.909 1.741 -16.667 256 H PHE 34 HN PHE 34 7.031 -1.216 -14.929 257 HA PHE 34 HA PHE 34 8.958 -3.302 -14.383 258 HD1 PHE 34 HD2 PHE 34 10.641 -2.090 -12.313 259 HD2 PHE 34 HD1 PHE 34 7.221 0.307 -13.119 260 HE1 PHE 34 HE2 PHE 34 12.042 -0.069 -12.235 261 HE2 PHE 34 HE1 PHE 34 8.614 2.330 -13.045 262 HZ PHE 34 HZ PHE 34 11.028 2.143 -12.602 263 HB2 PHE 34 HB2 PHE 34 6.978 -1.984 -12.503 264 HB3 PHE 34 HB1 PHE 34 8.368 -2.962 -12.039 265 H ASP 35 HN ASP 35 8.342 -5.317 -13.377 266 HA ASP 35 HA ASP 35 5.950 -6.415 -14.546 267 HB2 ASP 35 HB2 ASP 35 8.015 -7.743 -14.448 268 HB3 ASP 35 HB1 ASP 35 7.982 -7.676 -12.690 269 H HIS 36 HN HIS 36 4.150 -7.191 -13.465 270 HA HIS 36 HA HIS 36 2.494 -7.241 -11.899 271 HD1 HIS 36 HD1 HIS 36 2.496 -9.498 -9.926 272 HD2 HIS 36 HD2 HIS 36 6.478 -8.348 -10.306 273 HE1 HIS 36 HE1 HIS 36 3.833 -11.629 -9.864 274 HE2 HIS 36 HE2 HIS 36 6.244 -10.910 -10.021 275 HB2 HIS 36 HB2 HIS 36 4.616 -6.367 -9.913 276 HB3 HIS 36 HB1 HIS 36 2.996 -6.918 -9.503 277 HA PRO 37 HA PRO 37 0.511 -3.270 -11.578 278 HB2 PRO 37 HB2 PRO 37 1.006 -3.205 -8.629 279 HB3 PRO 37 HB1 PRO 37 -0.461 -2.794 -9.529 280 HG2 PRO 37 HG2 PRO 37 -0.226 -5.147 -8.303 281 HG3 PRO 37 HG1 PRO 37 -1.032 -5.007 -9.875 282 HD2 PRO 37 HD2 PRO 37 1.601 -6.178 -9.206 283 HD3 PRO 37 HD1 PRO 37 0.519 -6.531 -10.567 284 H HIS 38 HN HIS 38 3.252 -3.369 -9.373 285 HA HIS 38 HA HIS 38 4.663 -1.462 -10.955 286 HD2 HIS 38 HD2 HIS 38 5.426 0.774 -11.579 287 HE1 HIS 38 HE1 HIS 38 7.403 2.894 -8.492 288 HE2 HIS 38 HE2 HIS 38 6.983 2.742 -10.961 289 HB2 HIS 38 HB2 HIS 38 3.228 0.000 -9.428 290 HB3 HIS 38 HB1 HIS 38 4.194 -0.625 -8.093 291 H ILE 39 HN ILE 39 4.930 -2.107 -7.514 292 HA ILE 39 HA ILE 39 6.941 -4.129 -7.997 293 HB ILE 39 HB ILE 39 8.086 -1.833 -7.904 294 HG12 ILE 39 HG12 ILE 39 9.931 -2.718 -6.446 295 HG13 ILE 39 HG11 ILE 39 8.873 -4.062 -6.030 296 HG21 ILE 39 HG21 ILE 39 8.539 -0.937 -5.677 297 HG22 ILE 39 HG22 ILE 39 7.431 -2.120 -4.980 298 HG23 ILE 39 HG23 ILE 39 6.821 -0.876 -6.071 299 HD11 ILE 39 HD11 ILE 39 8.790 -4.721 -8.372 300 HD12 ILE 39 HD12 ILE 39 10.447 -4.675 -7.768 301 HD13 ILE 39 HD13 ILE 39 9.844 -3.368 -8.789 302 H PHE 40 HN PHE 40 7.305 -5.464 -6.142 303 HA PHE 40 HA PHE 40 5.068 -5.404 -4.277 304 HD1 PHE 40 HD2 PHE 40 8.553 -7.842 -3.464 305 HD2 PHE 40 HD1 PHE 40 6.488 -7.787 -7.185 306 HE1 PHE 40 HE2 PHE 40 10.566 -8.697 -4.589 307 HE2 PHE 40 HE1 PHE 40 8.496 -8.645 -8.317 308 HZ PHE 40 HZ PHE 40 10.538 -9.100 -7.019 309 HB2 PHE 40 HB2 PHE 40 6.109 -7.678 -3.579 310 HB3 PHE 40 HB1 PHE 40 5.291 -7.562 -5.131 311 H ILE 41 HN ILE 41 5.238 -5.028 -2.124 312 HA ILE 41 HA ILE 41 7.947 -4.473 -1.094 313 HB ILE 41 HB ILE 41 5.479 -2.791 -0.614 314 HG12 ILE 41 HG12 ILE 41 8.043 -2.163 -2.094 315 HG13 ILE 41 HG11 ILE 41 6.486 -2.487 -2.848 316 HG21 ILE 41 HG21 ILE 41 8.295 -2.455 0.423 317 HG22 ILE 41 HG22 ILE 41 6.875 -2.891 1.374 318 HG23 ILE 41 HG23 ILE 41 6.980 -1.297 0.629 319 HD11 ILE 41 HD11 ILE 41 7.119 -0.172 -1.031 320 HD12 ILE 41 HD12 ILE 41 5.562 -0.490 -1.795 321 HD13 ILE 41 HD13 ILE 41 6.970 -0.109 -2.787 322 H ASP 42 HN ASP 42 8.410 -5.320 0.845 323 HA ASP 42 HA ASP 42 6.196 -6.015 2.645 324 HB2 ASP 42 HB2 ASP 42 7.077 -8.142 3.168 325 HB3 ASP 42 HB1 ASP 42 7.188 -8.049 1.413 326 H MET 43 HN MET 43 6.708 -5.861 4.863 327 HA MET 43 HA MET 43 9.079 -4.234 5.387 328 HB2 MET 43 HB2 MET 43 6.540 -4.699 6.919 329 HB3 MET 43 HB1 MET 43 7.951 -3.987 7.690 330 HG2 MET 43 HG2 MET 43 7.945 -2.206 5.994 331 HG3 MET 43 HG1 MET 43 6.482 -2.903 5.301 332 HE1 MET 43 HE1 MET 43 5.464 -0.401 5.556 333 HE2 MET 43 HE2 MET 43 6.931 0.143 6.369 334 HE3 MET 43 HE3 MET 43 5.355 0.437 7.103 335 H GLY 44 HN GLY 44 7.382 -6.719 7.304 336 HA2 GLY 44 HA2 GLY 44 8.195 -8.494 8.516 337 HA3 GLY 44 HA1 GLY 44 9.597 -8.471 7.455 338 H SER 45 HN SER 45 11.495 -7.808 8.251 339 HA SER 45 HA SER 45 11.545 -6.895 11.025 340 HG SER 45 HG SER 45 13.427 -9.707 9.849 341 HB2 SER 45 HB2 SER 45 13.810 -7.743 9.202 342 HB3 SER 45 HB1 SER 45 13.946 -7.404 10.927 343 H THR 46 HN THR 46 11.663 -5.605 7.924 344 HA THR 46 HA THR 46 13.030 -3.183 8.879 345 HB THR 46 HB THR 46 13.054 -2.575 6.396 346 HG1 THR 46 HG1 THR 46 11.544 -4.655 6.170 347 HG21 THR 46 HG21 THR 46 14.616 -5.005 7.278 348 HG22 THR 46 HG22 THR 46 15.055 -3.326 7.589 349 HG23 THR 46 HG23 THR 46 15.032 -3.939 5.936 350 H ASP 47 HN ASP 47 11.488 -1.968 9.823 351 HA ASP 47 HA ASP 47 8.799 -1.862 8.773 352 HB2 ASP 47 HB2 ASP 47 10.082 -0.355 11.065 353 HB3 ASP 47 HB1 ASP 47 8.368 -0.317 10.667 354 H GLU 48 HN GLU 48 11.618 -0.420 7.940 355 HA GLU 48 HA GLU 48 10.224 1.955 6.910 356 HB2 GLU 48 HB2 GLU 48 12.460 3.031 6.755 357 HB3 GLU 48 HB1 GLU 48 11.987 2.647 8.400 358 HG2 GLU 48 HG2 GLU 48 13.822 0.902 6.776 359 HG3 GLU 48 HG1 GLU 48 14.396 2.225 7.785 360 H LYS 49 HN LYS 49 9.633 1.613 4.867 361 HA LYS 49 HA LYS 49 11.640 0.587 3.000 362 HB2 LYS 49 HB2 LYS 49 8.932 -0.607 3.502 363 HB3 LYS 49 HB1 LYS 49 9.669 -0.721 1.912 364 HG2 LYS 49 HG2 LYS 49 10.956 -1.707 4.449 365 HG3 LYS 49 HG1 LYS 49 10.026 -2.715 3.337 366 HD2 LYS 49 HD2 LYS 49 11.604 -2.156 1.536 367 HD3 LYS 49 HD1 LYS 49 12.542 -1.182 2.671 368 HE2 LYS 49 HE2 LYS 49 13.541 -3.389 2.366 369 HE3 LYS 49 HE1 LYS 49 12.979 -3.168 4.022 370 HZ1 LYS 49 HZ1 LYS 49 11.739 -4.797 1.877 371 HZ2 LYS 49 HZ2 LYS 49 10.896 -4.353 3.274 372 HZ3 LYS 49 HZ3 LYS 49 12.286 -5.305 3.401 373 H ILE 50 HN ILE 50 11.844 2.107 1.492 374 HA ILE 50 HA ILE 50 9.545 3.712 0.713 375 HB ILE 50 HB ILE 50 11.823 4.757 1.020 376 HG12 ILE 50 HG12 ILE 50 10.608 5.031 -1.741 377 HG13 ILE 50 HG11 ILE 50 10.039 5.850 -0.292 378 HG21 ILE 50 HG21 ILE 50 12.448 3.304 -1.546 379 HG22 ILE 50 HG22 ILE 50 13.160 2.971 0.034 380 HG23 ILE 50 HG23 ILE 50 13.467 4.513 -0.765 381 HD11 ILE 50 HD11 ILE 50 12.732 6.216 -1.582 382 HD12 ILE 50 HD12 ILE 50 12.162 7.035 -0.127 383 HD13 ILE 50 HD13 ILE 50 11.368 7.330 -1.674 384 H CYS 51 HN CYS 51 8.845 3.820 -1.512 385 HA CYS 51 HA CYS 51 9.128 1.235 -2.827 386 HB2 CYS 51 HB2 CYS 51 6.853 2.084 -2.515 387 HB3 CYS 51 HB1 CYS 51 7.260 3.538 -3.422 388 HA PRO 52 HA PRO 52 12.220 2.844 -5.628 389 HB2 PRO 52 HB2 PRO 52 11.198 0.504 -7.176 390 HB3 PRO 52 HB1 PRO 52 12.863 0.958 -6.793 391 HG2 PRO 52 HG2 PRO 52 11.677 -1.036 -5.496 392 HG3 PRO 52 HG1 PRO 52 12.748 0.093 -4.645 393 HD2 PRO 52 HD2 PRO 52 9.767 -0.068 -4.635 394 HD3 PRO 52 HD1 PRO 52 10.881 0.363 -3.322 395 H TYR 53 HN TYR 53 11.899 4.421 -7.025 396 HA TYR 53 HA TYR 53 11.068 5.728 -8.671 397 HD1 TYR 53 HD2 TYR 53 12.212 5.368 -11.333 398 HD2 TYR 53 HD1 TYR 53 11.673 1.664 -9.307 399 HE1 TYR 53 HE2 TYR 53 14.428 4.635 -12.097 400 HE2 TYR 53 HE1 TYR 53 13.892 0.923 -10.064 401 HH TYR 53 HH TYR 53 16.146 3.078 -11.545 402 HB2 TYR 53 HB2 TYR 53 9.812 3.152 -9.642 403 HB3 TYR 53 HB1 TYR 53 9.984 4.628 -10.586 404 H CYS 54 HN CYS 54 9.792 6.192 -6.483 405 HA CYS 54 HA CYS 54 7.144 6.900 -7.360 406 HB2 CYS 54 HB2 CYS 54 7.544 4.836 -5.225 407 HB3 CYS 54 HB1 CYS 54 6.201 5.964 -5.091 408 H SER 55 HN SER 55 9.441 6.768 -4.647 409 HA SER 55 HA SER 55 9.846 8.160 -2.900 410 HG SER 55 HG SER 55 10.939 10.693 -5.081 411 HB2 SER 55 HB2 SER 55 8.640 10.296 -4.684 412 HB3 SER 55 HB1 SER 55 9.648 10.575 -3.263 413 H THR 56 HN THR 56 8.450 7.217 -1.465 414 HA THR 56 HA THR 56 6.031 8.400 -0.660 415 HB THR 56 HB THR 56 5.689 5.709 -2.034 416 HG1 THR 56 HG1 THR 56 5.668 8.255 -3.149 417 HG21 THR 56 HG21 THR 56 3.298 6.276 -1.930 418 HG22 THR 56 HG22 THR 56 3.703 7.783 -1.109 419 HG23 THR 56 HG23 THR 56 4.038 6.236 -0.330 420 H LEU 57 HN LEU 57 8.220 7.894 0.703 421 HA LEU 57 HA LEU 57 8.987 5.302 1.339 422 HG LEU 57 HG LEU 57 11.177 5.418 2.442 423 HB2 LEU 57 HB2 LEU 57 10.107 7.604 1.798 424 HB3 LEU 57 HB1 LEU 57 9.224 7.554 3.308 425 HD11 LEU 57 HD11 LEU 57 11.598 7.761 4.291 426 HD12 LEU 57 HD12 LEU 57 12.328 7.546 2.700 427 HD13 LEU 57 HD13 LEU 57 12.740 6.446 4.016 428 HD21 LEU 57 HD21 LEU 57 9.922 6.024 5.118 429 HD22 LEU 57 HD22 LEU 57 11.138 4.785 4.807 430 HD23 LEU 57 HD23 LEU 57 9.539 4.654 4.076 431 H TYR 58 HN TYR 58 7.697 3.788 2.119 432 HA TYR 58 HA TYR 58 5.484 4.438 3.835 433 HD1 TYR 58 HD1 TYR 58 3.271 3.498 2.417 434 HD2 TYR 58 HD2 TYR 58 6.807 1.935 0.628 435 HE1 TYR 58 HE1 TYR 58 2.311 3.883 0.186 436 HE2 TYR 58 HE2 TYR 58 5.855 2.324 -1.602 437 HH TYR 58 HH TYR 58 2.987 4.173 -2.088 438 HB2 TYR 58 HB2 TYR 58 6.502 1.729 2.947 439 HB3 TYR 58 HB1 TYR 58 4.941 2.064 3.694 440 H ARG 59 HN ARG 59 5.955 4.949 5.831 441 HA ARG 59 HA ARG 59 8.082 3.467 7.212 442 HE ARG 59 HE ARG 59 6.885 7.344 9.521 443 HB2 ARG 59 HB2 ARG 59 8.284 5.969 6.944 444 HB3 ARG 59 HB1 ARG 59 6.879 6.125 7.987 445 HG2 ARG 59 HG2 ARG 59 8.141 4.897 9.749 446 HG3 ARG 59 HG1 ARG 59 9.560 4.974 8.704 447 HD2 ARG 59 HD2 ARG 59 9.669 6.782 10.280 448 HD3 ARG 59 HD1 ARG 59 9.344 7.445 8.678 449 HH11 ARG 59 HH11 ARG 59 9.735 8.263 11.347 450 HH12 ARG 59 HH12 ARG 59 8.832 9.162 12.530 451 HH21 ARG 59 HH21 ARG 59 5.712 8.530 11.011 452 HH22 ARG 59 HH22 ARG 59 6.517 9.334 12.335 453 H TYR 60 HN TYR 60 7.549 2.151 8.797 454 HA TYR 60 HA TYR 60 4.835 2.190 9.880 455 HD1 TYR 60 HD1 TYR 60 3.629 -0.510 9.381 456 HD2 TYR 60 HD2 TYR 60 6.328 -0.321 12.662 457 HE1 TYR 60 HE1 TYR 60 2.046 -1.799 10.748 458 HE2 TYR 60 HE2 TYR 60 4.750 -1.606 14.042 459 HH TYR 60 HH TYR 60 2.405 -2.161 14.137 460 HB2 TYR 60 HB2 TYR 60 5.966 0.077 9.055 461 HB3 TYR 60 HB1 TYR 60 7.063 0.219 10.420 462 H ASP 61 HN ASP 61 4.445 3.172 11.790 463 HA ASP 61 HA ASP 61 6.733 3.573 13.602 464 HB2 ASP 61 HB2 ASP 61 5.983 5.679 12.453 465 HB3 ASP 61 HB1 ASP 61 4.426 5.497 13.256 466 HA PRO 62 HA PRO 62 4.503 1.181 16.542 467 HB2 PRO 62 HB2 PRO 62 5.760 3.061 18.485 468 HB3 PRO 62 HB1 PRO 62 5.751 1.293 18.469 469 HG2 PRO 62 HG2 PRO 62 7.923 2.621 17.732 470 HG3 PRO 62 HG1 PRO 62 7.413 1.171 16.845 471 HD2 PRO 62 HD2 PRO 62 7.141 4.050 16.094 472 HD3 PRO 62 HD1 PRO 62 7.499 2.644 15.071 473 H SER 63 HN SER 63 4.245 4.698 16.540 474 HA SER 63 HA SER 63 2.179 4.752 18.530 475 HG SER 63 HG SER 63 3.987 6.591 16.015 476 HB2 SER 63 HB2 SER 63 1.939 7.142 17.920 477 HB3 SER 63 HB1 SER 63 3.607 6.697 18.269 478 H LEU 64 HN LEU 64 2.245 4.095 15.186 479 HA LEU 64 HA LEU 64 -0.686 4.344 15.121 480 HG LEU 64 HG LEU 64 2.340 4.186 13.088 481 HB2 LEU 64 HB2 LEU 64 -0.528 4.595 12.669 482 HB3 LEU 64 HB1 LEU 64 0.233 5.907 13.542 483 HD11 LEU 64 HD11 LEU 64 0.933 2.823 11.608 484 HD12 LEU 64 HD12 LEU 64 2.251 3.604 10.735 485 HD13 LEU 64 HD13 LEU 64 0.612 4.247 10.615 486 HD21 LEU 64 HD21 LEU 64 1.400 6.521 11.424 487 HD22 LEU 64 HD22 LEU 64 3.034 5.858 11.432 488 HD23 LEU 64 HD23 LEU 64 2.380 6.610 12.887 489 H SER 65 HN SER 65 -1.847 2.633 14.224 490 HA SER 65 HA SER 65 -0.302 0.142 13.995 491 HG SER 65 HG SER 65 -0.333 0.091 16.310 492 HB2 SER 65 HB2 SER 65 -2.970 0.558 15.359 493 HB3 SER 65 HB1 SER 65 -2.151 -0.994 15.171 494 H TYR 66 HN TYR 66 -2.359 -1.585 13.376 495 HA TYR 66 HA TYR 66 -2.509 -1.256 10.591 496 HD1 TYR 66 HD2 TYR 66 -1.644 -3.144 13.511 497 HD2 TYR 66 HD1 TYR 66 -2.645 -4.687 9.676 498 HE1 TYR 66 HE2 TYR 66 0.311 -4.627 13.605 499 HE2 TYR 66 HE1 TYR 66 -0.693 -6.177 9.762 500 HH TYR 66 HH TYR 66 1.371 -6.450 10.845 501 HB2 TYR 66 HB2 TYR 66 -4.070 -3.073 12.436 502 HB3 TYR 66 HB1 TYR 66 -4.093 -3.199 10.683 503 H ASN 67 HN ASN 67 -4.541 -0.111 13.102 504 HA ASN 67 HA ASN 67 -6.826 0.289 11.345 505 HB2 ASN 67 HB2 ASN 67 -6.399 0.781 14.291 506 HB3 ASN 67 HB1 ASN 67 -7.873 1.243 13.445 507 HD21 ASN 67 HD21 ASN 67 -9.281 -0.342 12.732 508 HD22 ASN 67 HD22 ASN 67 -9.179 -1.981 13.288 509 H GLN 68 HN GLN 68 -4.044 1.836 11.584 510 HA GLN 68 HA GLN 68 -5.299 4.445 11.097 511 HB2 GLN 68 HB2 GLN 68 -3.001 3.851 12.925 512 HB3 GLN 68 HB1 GLN 68 -3.104 5.407 12.115 513 HG2 GLN 68 HG2 GLN 68 -5.393 5.657 13.097 514 HG3 GLN 68 HG1 GLN 68 -5.059 4.216 14.056 515 HE21 GLN 68 HE21 GLN 68 -5.546 7.010 14.858 516 HE22 GLN 68 HE22 GLN 68 -4.168 7.470 15.803 517 H THR 69 HN THR 69 -3.507 5.974 10.174 518 HA THR 69 HA THR 69 -1.533 4.749 8.521 519 HB THR 69 HB THR 69 -3.562 4.183 7.231 520 HG1 THR 69 HG1 THR 69 -1.404 5.182 6.285 521 HG21 THR 69 HG21 THR 69 -5.010 6.025 7.913 522 HG22 THR 69 HG22 THR 69 -4.890 5.941 6.156 523 HG23 THR 69 HG23 THR 69 -3.985 7.168 7.044 524 H ASN 70 HN ASN 70 -1.914 7.058 6.563 525 HA ASN 70 HA ASN 70 -0.420 8.939 8.238 526 HB2 ASN 70 HB2 ASN 70 0.559 9.723 6.145 527 HB3 ASN 70 HB1 ASN 70 0.709 7.974 6.280 528 HD21 ASN 70 HD21 ASN 70 -0.848 10.597 4.607 529 HD22 ASN 70 HD22 ASN 70 -1.475 9.650 3.304 530 HA PRO 71 HA PRO 71 -3.230 12.390 7.790 531 HB2 PRO 71 HB2 PRO 71 -1.102 13.862 6.327 532 HB3 PRO 71 HB1 PRO 71 -2.006 14.333 7.769 533 HG2 PRO 71 HG2 PRO 71 0.536 13.553 7.942 534 HG3 PRO 71 HG1 PRO 71 -0.649 13.102 9.184 535 HD2 PRO 71 HD2 PRO 71 0.506 11.453 6.974 536 HD3 PRO 71 HD1 PRO 71 0.089 10.984 8.635 537 H THR 72 HN THR 72 -4.794 12.770 6.352 538 HA THR 72 HA THR 72 -5.975 12.881 4.411 539 HB THR 72 HB THR 72 -3.313 12.733 2.967 540 HG1 THR 72 HG1 THR 72 -3.203 14.652 3.928 541 HG21 THR 72 HG21 THR 72 -5.200 12.125 1.532 542 HG22 THR 72 HG22 THR 72 -4.544 13.697 1.074 543 HG23 THR 72 HG23 THR 72 -6.042 13.603 1.999 544 H GLY 73 HN GLY 73 -7.059 11.340 3.265 545 HA2 GLY 73 HA2 GLY 73 -6.442 8.625 3.864 546 HA3 GLY 73 HA1 GLY 73 -7.775 9.191 2.871 547 H CYS 74 HN CYS 74 -4.342 8.407 2.869 548 HA CYS 74 HA CYS 74 -4.267 8.337 -0.035 549 HG CYS 74 HG CYS 74 -2.497 10.528 0.169 550 HB2 CYS 74 HB2 CYS 74 -2.137 7.656 2.001 551 HB3 CYS 74 HB1 CYS 74 -1.892 7.788 0.262 552 H LEU 75 HN LEU 75 -5.716 6.372 1.920 553 HA LEU 75 HA LEU 75 -4.578 3.853 1.032 554 HG LEU 75 HG LEU 75 -7.687 5.326 2.157 555 HB2 LEU 75 HB2 LEU 75 -6.424 2.838 2.331 556 HB3 LEU 75 HB1 LEU 75 -5.418 3.915 3.284 557 HD11 LEU 75 HD11 LEU 75 -8.753 3.130 2.280 558 HD12 LEU 75 HD12 LEU 75 -9.427 4.243 3.469 559 HD13 LEU 75 HD13 LEU 75 -8.287 2.996 3.976 560 HD21 LEU 75 HD21 LEU 75 -7.991 5.955 4.517 561 HD22 LEU 75 HD22 LEU 75 -6.328 6.180 3.976 562 HD23 LEU 75 HD23 LEU 75 -6.749 4.788 4.975 563 H TYR 76 HN TYR 76 -5.394 2.590 -0.583 564 HA TYR 76 HA TYR 76 -7.282 3.857 -2.362 565 HD1 TYR 76 HD2 TYR 76 -6.369 3.901 -5.050 566 HD2 TYR 76 HD1 TYR 76 -7.693 0.030 -3.884 567 HE1 TYR 76 HE2 TYR 76 -7.589 3.686 -7.173 568 HE2 TYR 76 HE1 TYR 76 -8.917 -0.195 -6.004 569 HH TYR 76 HH TYR 76 -8.431 1.842 -8.633 570 HB2 TYR 76 HB2 TYR 76 -5.267 2.631 -3.211 571 HB3 TYR 76 HB1 TYR 76 -5.991 1.134 -2.634 572 H ASN 77 HN ASN 77 -9.389 3.473 -2.434 573 HA ASN 77 HA ASN 77 -10.398 1.294 -0.744 574 HB2 ASN 77 HB2 ASN 77 -12.409 2.716 -0.373 575 HB3 ASN 77 HB1 ASN 77 -10.926 3.426 0.249 576 HD21 ASN 77 HD21 ASN 77 -10.041 5.229 -0.797 577 HD22 ASN 77 HD22 ASN 77 -10.986 6.207 -1.865 578 HA PRO 78 HA PRO 78 -12.337 -0.165 -4.550 579 HB2 PRO 78 HB2 PRO 78 -13.107 -2.424 -2.862 580 HB3 PRO 78 HB1 PRO 78 -12.078 -2.412 -4.296 581 HG2 PRO 78 HG2 PRO 78 -11.112 -2.873 -1.807 582 HG3 PRO 78 HG1 PRO 78 -10.157 -2.092 -3.080 583 HD2 PRO 78 HD2 PRO 78 -11.600 -0.858 -0.763 584 HD3 PRO 78 HD1 PRO 78 -10.007 -0.460 -1.444 585 H LYS 79 HN LYS 79 -14.419 0.232 -5.119 586 HA LYS 79 HA LYS 79 -16.154 1.090 -2.902 587 HB2 LYS 79 HB2 LYS 79 -16.524 1.854 -5.785 588 HB3 LYS 79 HB1 LYS 79 -17.062 2.706 -4.342 589 HG2 LYS 79 HG2 LYS 79 -14.774 3.300 -3.806 590 HG3 LYS 79 HG1 LYS 79 -14.196 2.390 -5.202 591 HD2 LYS 79 HD2 LYS 79 -15.732 3.935 -6.573 592 HD3 LYS 79 HD1 LYS 79 -15.743 4.957 -5.133 593 HE2 LYS 79 HE2 LYS 79 -13.334 4.079 -6.715 594 HE3 LYS 79 HE1 LYS 79 -14.015 5.701 -6.646 595 HZ1 LYS 79 HZ1 LYS 79 -12.026 5.339 -5.230 596 HZ2 LYS 79 HZ2 LYS 79 -12.936 4.286 -4.270 597 HZ3 LYS 79 HZ3 LYS 79 -13.371 5.919 -4.390 598 H LEU 80 HN LEU 80 -16.474 -0.282 -6.178 599 HA LEU 80 HA LEU 80 -18.831 -1.760 -5.195 600 HG LEU 80 HG LEU 80 -19.174 1.119 -6.360 601 HB2 LEU 80 HB2 LEU 80 -18.369 -0.581 -7.936 602 HB3 LEU 80 HB1 LEU 80 -19.717 -1.620 -7.515 603 HD11 LEU 80 HD11 LEU 80 -21.292 0.135 -8.268 604 HD12 LEU 80 HD12 LEU 80 -19.951 1.211 -8.659 605 HD13 LEU 80 HD13 LEU 80 -21.220 1.748 -7.558 606 HD21 LEU 80 HD21 LEU 80 -21.469 -0.778 -5.889 607 HD22 LEU 80 HD22 LEU 80 -21.340 0.867 -5.264 608 HD23 LEU 80 HD23 LEU 80 -20.207 -0.374 -4.726 609 H GLU 81 HN GLU 81 -15.791 -1.887 -6.764 610 HA GLU 81 HA GLU 81 -16.210 -4.421 -8.037 611 HB2 GLU 81 HB2 GLU 81 -13.656 -4.367 -8.256 612 HB3 GLU 81 HB1 GLU 81 -14.579 -3.144 -9.112 613 HG2 GLU 81 HG2 GLU 81 -13.374 -2.607 -6.416 614 HG3 GLU 81 HG1 GLU 81 -12.449 -2.424 -7.905 615 H HIS 82 HN HIS 82 -16.994 -5.741 -6.422 616 HA HIS 82 HA HIS 82 -14.907 -6.855 -4.692 617 HD1 HIS 82 HD1 HIS 82 -17.401 -3.676 -3.009 618 HD2 HIS 82 HD2 HIS 82 -14.086 -6.015 -2.099 619 HE1 HIS 82 HE1 HIS 82 -15.880 -2.199 -1.661 620 HE2 HIS 82 HE2 HIS 82 -14.058 -3.745 -0.861 621 HB2 HIS 82 HB2 HIS 82 -17.661 -5.994 -3.807 622 HB3 HIS 82 HB1 HIS 82 -16.720 -7.182 -2.916 623 H HIS 83 HN HIS 83 -14.808 -9.004 -4.857 624 HA HIS 83 HA HIS 83 -17.201 -10.426 -5.819 625 HD1 HIS 83 HD1 HIS 83 -13.789 -11.642 -8.753 626 HD2 HIS 83 HD2 HIS 83 -17.288 -9.553 -7.889 627 HE1 HIS 83 HE1 HIS 83 -14.532 -10.616 -10.934 628 HE2 HIS 83 HE2 HIS 83 -16.647 -9.344 -10.386 629 HB2 HIS 83 HB2 HIS 83 -14.269 -11.065 -6.136 630 HB3 HIS 83 HB1 HIS 83 -15.521 -12.277 -6.384 631 H HIS 84 HN HIS 84 -18.042 -12.041 -4.614 632 HA HIS 84 HA HIS 84 -17.107 -12.192 -1.864 633 HD1 HIS 84 HD1 HIS 84 -19.974 -15.267 -1.217 634 HD2 HIS 84 HD2 HIS 84 -19.031 -11.489 0.252 635 HE1 HIS 84 HE1 HIS 84 -20.338 -15.393 1.270 636 HE2 HIS 84 HE2 HIS 84 -19.536 -13.170 2.151 637 HB2 HIS 84 HB2 HIS 84 -19.551 -11.913 -2.589 638 HB3 HIS 84 HB1 HIS 84 -19.496 -13.614 -3.038 639 H HIS 85 HN HIS 85 -15.334 -13.355 -3.652 640 HA HIS 85 HA HIS 85 -14.103 -15.212 -4.075 641 HD1 HIS 85 HD1 HIS 85 -11.859 -15.511 -1.914 642 HD2 HIS 85 HD2 HIS 85 -15.305 -14.232 0.040 643 HE1 HIS 85 HE1 HIS 85 -11.082 -13.916 -0.133 644 HE2 HIS 85 HE2 HIS 85 -13.159 -13.333 1.174 645 HB2 HIS 85 HB2 HIS 85 -15.510 -16.399 -1.670 646 HB3 HIS 85 HB1 HIS 85 -14.002 -16.959 -2.380 647 H HIS 86 HN HIS 86 -15.270 -15.542 -6.045 648 HA HIS 86 HA HIS 86 -17.512 -17.363 -6.011 649 HD1 HIS 86 HD1 HIS 86 -19.743 -16.827 -7.782 650 HD2 HIS 86 HD2 HIS 86 -16.639 -18.057 -10.270 651 HE1 HIS 86 HE1 HIS 86 -20.808 -18.296 -9.529 652 HE2 HIS 86 HE2 HIS 86 -18.888 -19.157 -10.920 653 HB2 HIS 86 HB2 HIS 86 -17.469 -15.446 -7.583 654 HB3 HIS 86 HB1 HIS 86 -16.066 -16.153 -8.380 655 H HIS 87 HN HIS 87 -17.421 -19.476 -6.283 656 HA HIS 87 HA HIS 87 -14.865 -20.749 -6.781 657 HD1 HIS 87 HD1 HIS 87 -14.401 -22.523 -4.385 658 HD2 HIS 87 HD2 HIS 87 -18.159 -20.815 -3.876 659 HE1 HIS 87 HE1 HIS 87 -14.588 -22.008 -1.930 660 HE2 HIS 87 HE2 HIS 87 -16.938 -21.147 -1.621 661 HB2 HIS 87 HB2 HIS 87 -17.598 -21.967 -6.308 662 HB3 HIS 87 HB1 HIS 87 -16.088 -22.864 -6.397 Start of MODEL 2 1 HA MET 1 HA MET 1 -6.230 -17.494 2.950 2 H1 MET 1 HT1 MET 1 -8.301 -17.125 4.126 3 H2 MET 1 HT2 MET 1 -9.069 -16.709 2.673 4 H3 MET 1 HT3 MET 1 -7.817 -15.738 3.274 5 HB2 MET 1 HB2 MET 1 -7.902 -19.328 3.310 6 HB3 MET 1 HB1 MET 1 -8.527 -19.014 1.699 7 HG2 MET 1 HG2 MET 1 -6.411 -19.632 0.717 8 HG3 MET 1 HG1 MET 1 -5.705 -19.850 2.318 9 HE1 MET 1 HE1 MET 1 -4.876 -22.282 1.794 10 HE2 MET 1 HE2 MET 1 -5.476 -22.110 0.144 11 HE3 MET 1 HE3 MET 1 -5.894 -23.539 1.090 12 H ALA 2 HN ALA 2 -4.981 -17.027 1.231 13 HA ALA 2 HA ALA 2 -4.308 -15.927 -0.653 14 HB1 ALA 2 HB1 ALA 2 -6.837 -17.118 -1.803 15 HB2 ALA 2 HB2 ALA 2 -5.267 -17.917 -1.720 16 HB3 ALA 2 HB3 ALA 2 -5.475 -16.484 -2.728 17 H ASP 3 HN ASP 3 -5.416 -14.267 1.114 18 HA ASP 3 HA ASP 3 -7.818 -13.006 0.235 19 HB2 ASP 3 HB2 ASP 3 -5.879 -12.395 2.452 20 HB3 ASP 3 HB1 ASP 3 -7.273 -11.374 2.114 21 H TYR 4 HN TYR 4 -8.180 -11.080 -0.610 22 HA TYR 4 HA TYR 4 -5.908 -9.439 -1.501 23 HD1 TYR 4 HD2 TYR 4 -9.760 -7.656 -2.041 24 HD2 TYR 4 HD1 TYR 4 -9.024 -11.756 -2.908 25 HE1 TYR 4 HE2 TYR 4 -12.158 -8.137 -1.778 26 HE2 TYR 4 HE1 TYR 4 -11.417 -12.249 -2.645 27 HH TYR 4 HH TYR 4 -13.800 -9.758 -2.380 28 HB2 TYR 4 HB2 TYR 4 -7.635 -8.375 -3.010 29 HB3 TYR 4 HB1 TYR 4 -7.333 -10.076 -3.352 30 H ASN 5 HN ASN 5 -7.685 -9.784 1.064 31 HA ASN 5 HA ASN 5 -8.909 -7.178 1.333 32 HB2 ASN 5 HB2 ASN 5 -8.832 -9.605 3.127 33 HB3 ASN 5 HB1 ASN 5 -9.614 -8.094 3.584 34 HD21 ASN 5 HD21 ASN 5 -10.633 -10.859 3.039 35 HD22 ASN 5 HD22 ASN 5 -11.912 -10.629 1.891 36 H ILE 6 HN ILE 6 -6.707 -6.218 1.110 37 HA ILE 6 HA ILE 6 -5.641 -5.763 3.813 38 HB ILE 6 HB ILE 6 -3.408 -5.329 2.818 39 HG12 ILE 6 HG12 ILE 6 -4.573 -6.573 0.315 40 HG13 ILE 6 HG11 ILE 6 -4.213 -4.862 0.510 41 HG21 ILE 6 HG21 ILE 6 -2.780 -7.673 2.485 42 HG22 ILE 6 HG22 ILE 6 -4.483 -8.104 2.322 43 HG23 ILE 6 HG23 ILE 6 -3.875 -7.477 3.855 44 HD11 ILE 6 HD11 ILE 6 -1.847 -5.404 0.799 45 HD12 ILE 6 HD12 ILE 6 -2.473 -5.981 -0.746 46 HD13 ILE 6 HD13 ILE 6 -2.218 -7.115 0.582 47 HA PRO 7 HA PRO 7 -6.426 -1.468 3.023 48 HB2 PRO 7 HB2 PRO 7 -3.780 -0.915 4.246 49 HB3 PRO 7 HB1 PRO 7 -5.379 -0.321 4.708 50 HG2 PRO 7 HG2 PRO 7 -4.135 -2.168 6.170 51 HG3 PRO 7 HG1 PRO 7 -5.889 -2.239 5.908 52 HD2 PRO 7 HD2 PRO 7 -3.707 -3.816 4.592 53 HD3 PRO 7 HD1 PRO 7 -5.306 -4.354 5.150 54 H HIS 8 HN HIS 8 -6.260 -1.302 0.821 55 HA HIS 8 HA HIS 8 -3.630 -1.110 -0.391 56 HD1 HIS 8 HD1 HIS 8 -7.175 -2.013 -3.705 57 HD2 HIS 8 HD2 HIS 8 -7.531 -0.344 0.092 58 HE1 HIS 8 HE1 HIS 8 -9.624 -1.555 -3.387 59 HE2 HIS 8 HE2 HIS 8 -9.834 -0.793 -0.996 60 HB2 HIS 8 HB2 HIS 8 -4.896 -0.958 -2.561 61 HB3 HIS 8 HB1 HIS 8 -5.120 -2.451 -1.668 62 H PHE 9 HN PHE 9 -2.620 0.696 -0.664 63 HA PHE 9 HA PHE 9 -4.078 3.208 -0.290 64 HD1 PHE 9 HD2 PHE 9 -3.453 4.443 2.160 65 HD2 PHE 9 HD1 PHE 9 -1.138 0.912 1.624 66 HE1 PHE 9 HE2 PHE 9 -3.862 3.821 4.504 67 HE2 PHE 9 HE1 PHE 9 -1.547 0.283 3.967 68 HZ PHE 9 HZ PHE 9 -2.910 1.738 5.411 69 HB2 PHE 9 HB2 PHE 9 -1.124 2.598 -0.027 70 HB3 PHE 9 HB1 PHE 9 -1.868 4.168 0.261 71 H GLN 10 HN GLN 10 -2.918 5.097 -1.406 72 HA GLN 10 HA GLN 10 -1.979 4.473 -4.095 73 HB2 GLN 10 HB2 GLN 10 -3.668 6.014 -5.089 74 HB3 GLN 10 HB1 GLN 10 -4.384 4.563 -4.399 75 HG2 GLN 10 HG2 GLN 10 -5.770 5.876 -3.276 76 HG3 GLN 10 HG1 GLN 10 -4.393 6.413 -2.316 77 HE21 GLN 10 HE21 GLN 10 -6.798 7.841 -3.054 78 HE22 GLN 10 HE22 GLN 10 -6.280 9.256 -3.898 79 H ASN 11 HN ASN 11 -0.509 5.995 -4.788 80 HA ASN 11 HA ASN 11 -0.659 8.615 -3.494 81 HB2 ASN 11 HB2 ASN 11 1.826 8.743 -3.441 82 HB3 ASN 11 HB1 ASN 11 1.170 7.503 -2.384 83 HD21 ASN 11 HD21 ASN 11 3.190 8.186 -5.050 84 HD22 ASN 11 HD22 ASN 11 3.747 6.579 -5.333 85 H ASP 12 HN ASP 12 -1.689 9.476 -5.253 86 HA ASP 12 HA ASP 12 -0.280 9.565 -7.790 87 HB2 ASP 12 HB2 ASP 12 -2.890 10.741 -6.854 88 HB3 ASP 12 HB1 ASP 12 -2.189 11.136 -8.420 89 H LEU 13 HN LEU 13 -0.563 11.376 -4.907 90 HA LEU 13 HA LEU 13 0.342 13.858 -6.133 91 HG LEU 13 HG LEU 13 -2.003 14.461 -5.484 92 HB2 LEU 13 HB2 LEU 13 -0.387 13.247 -3.268 93 HB3 LEU 13 HB1 LEU 13 0.022 14.831 -3.890 94 HD11 LEU 13 HD11 LEU 13 -2.386 12.113 -4.958 95 HD12 LEU 13 HD12 LEU 13 -3.782 13.093 -4.509 96 HD13 LEU 13 HD13 LEU 13 -2.666 12.529 -3.267 97 HD21 LEU 13 HD21 LEU 13 -3.500 15.423 -3.804 98 HD22 LEU 13 HD22 LEU 13 -1.900 16.163 -3.751 99 HD23 LEU 13 HD23 LEU 13 -2.361 14.972 -2.536 100 H GLY 14 HN GLY 14 1.895 11.212 -5.427 101 HA2 GLY 14 HA2 GLY 14 4.176 10.871 -5.182 102 HA3 GLY 14 HA1 GLY 14 4.362 12.586 -4.837 103 H TYR 15 HN TYR 15 4.235 13.323 -2.738 104 HA TYR 15 HA TYR 15 4.574 13.275 -0.504 105 HD1 TYR 15 HD2 TYR 15 1.297 12.806 -1.698 106 HD2 TYR 15 HD1 TYR 15 2.834 12.661 2.265 107 HE1 TYR 15 HE2 TYR 15 -0.417 14.420 -0.979 108 HE2 TYR 15 HE1 TYR 15 1.129 14.273 2.995 109 HH TYR 15 HH TYR 15 -0.273 16.013 2.028 110 HB2 TYR 15 HB2 TYR 15 2.779 10.932 -0.869 111 HB3 TYR 15 HB1 TYR 15 3.593 11.118 0.681 112 H LYS 16 HN LYS 16 6.551 13.086 0.196 113 HA LYS 16 HA LYS 16 8.307 11.147 -0.839 114 HB2 LYS 16 HB2 LYS 16 9.027 13.411 -0.212 115 HB3 LYS 16 HB1 LYS 16 8.702 13.048 1.476 116 HG2 LYS 16 HG2 LYS 16 10.459 11.387 1.492 117 HG3 LYS 16 HG1 LYS 16 10.750 11.649 -0.231 118 HD2 LYS 16 HD2 LYS 16 11.375 13.968 0.232 119 HD3 LYS 16 HD1 LYS 16 11.076 13.709 1.951 120 HE2 LYS 16 HE2 LYS 16 12.829 11.990 1.978 121 HE3 LYS 16 HE1 LYS 16 13.145 12.298 0.271 122 HZ1 LYS 16 HZ1 LYS 16 13.672 14.625 0.897 123 HZ2 LYS 16 HZ2 LYS 16 14.736 13.490 1.564 124 HZ3 LYS 16 HZ3 LYS 16 13.530 14.186 2.529 125 H ILE 17 HN ILE 17 7.055 11.554 2.471 126 HA ILE 17 HA ILE 17 7.683 8.705 2.851 127 HB ILE 17 HB ILE 17 7.787 10.883 4.948 128 HG12 ILE 17 HG12 ILE 17 9.930 9.112 3.753 129 HG13 ILE 17 HG11 ILE 17 9.756 10.846 3.507 130 HG21 ILE 17 HG21 ILE 17 8.457 9.122 6.503 131 HG22 ILE 17 HG22 ILE 17 8.225 7.912 5.241 132 HG23 ILE 17 HG23 ILE 17 6.844 8.820 5.857 133 HD11 ILE 17 HD11 ILE 17 10.219 11.224 5.875 134 HD12 ILE 17 HD12 ILE 17 11.533 10.355 5.082 135 HD13 ILE 17 HD13 ILE 17 10.399 9.486 6.115 136 H ILE 18 HN ILE 18 5.840 7.649 2.701 137 HA ILE 18 HA ILE 18 3.480 8.827 4.053 138 HB ILE 18 HB ILE 18 3.607 6.727 1.892 139 HG12 ILE 18 HG12 ILE 18 2.652 9.596 1.983 140 HG13 ILE 18 HG11 ILE 18 3.943 8.924 0.982 141 HG21 ILE 18 HG21 ILE 18 1.829 6.166 3.459 142 HG22 ILE 18 HG22 ILE 18 1.152 6.744 1.936 143 HG23 ILE 18 HG23 ILE 18 1.191 7.807 3.343 144 HD11 ILE 18 HD11 ILE 18 2.286 7.645 -0.278 145 HD12 ILE 18 HD12 ILE 18 1.936 9.372 -0.321 146 HD13 ILE 18 HD13 ILE 18 1.000 8.309 0.725 147 H GLU 19 HN GLU 19 2.786 7.971 5.902 148 HA GLU 19 HA GLU 19 4.071 5.539 6.863 149 HB2 GLU 19 HB2 GLU 19 2.223 7.433 8.330 150 HB3 GLU 19 HB1 GLU 19 3.154 6.130 9.048 151 HG2 GLU 19 HG2 GLU 19 4.360 8.036 9.572 152 HG3 GLU 19 HG1 GLU 19 5.216 7.372 8.182 153 H ILE 20 HN ILE 20 3.039 3.670 7.354 154 HA ILE 20 HA ILE 20 0.131 3.522 6.991 155 HB ILE 20 HB ILE 20 0.343 1.452 5.668 156 HG12 ILE 20 HG12 ILE 20 3.283 2.154 5.508 157 HG13 ILE 20 HG11 ILE 20 2.614 0.820 6.441 158 HG21 ILE 20 HG21 ILE 20 -0.022 3.558 4.515 159 HG22 ILE 20 HG22 ILE 20 1.004 2.498 3.547 160 HG23 ILE 20 HG23 ILE 20 1.717 3.840 4.443 161 HD11 ILE 20 HD11 ILE 20 2.494 1.128 3.450 162 HD12 ILE 20 HD12 ILE 20 1.799 -0.204 4.376 163 HD13 ILE 20 HD13 ILE 20 3.546 0.036 4.351 164 H GLY 21 HN GLY 21 -0.820 1.599 7.955 165 HA2 GLY 21 HA2 GLY 21 0.782 0.633 10.222 166 HA3 GLY 21 HA1 GLY 21 -0.973 0.615 10.127 167 H VAL 22 HN VAL 22 1.049 -0.433 7.490 168 HA VAL 22 HA VAL 22 0.288 -3.229 8.031 169 HB VAL 22 HB VAL 22 0.403 -2.062 5.251 170 HG11 VAL 22 HG11 VAL 22 0.627 -4.480 5.421 171 HG12 VAL 22 HG12 VAL 22 -0.907 -4.044 4.665 172 HG13 VAL 22 HG13 VAL 22 -0.869 -4.564 6.351 173 HG21 VAL 22 HG21 VAL 22 -2.044 -2.372 6.987 174 HG22 VAL 22 HG22 VAL 22 -2.048 -1.956 5.273 175 HG23 VAL 22 HG23 VAL 22 -1.333 -0.850 6.448 176 H LYS 23 HN LYS 23 1.862 -4.766 7.510 177 HA LYS 23 HA LYS 23 4.542 -3.713 7.142 178 HB2 LYS 23 HB2 LYS 23 3.450 -6.426 7.821 179 HB3 LYS 23 HB1 LYS 23 5.139 -6.207 7.391 180 HG2 LYS 23 HG2 LYS 23 5.445 -4.687 9.249 181 HG3 LYS 23 HG1 LYS 23 3.733 -4.826 9.667 182 HD2 LYS 23 HD2 LYS 23 4.039 -7.237 10.049 183 HD3 LYS 23 HD1 LYS 23 5.753 -7.069 9.672 184 HE2 LYS 23 HE2 LYS 23 6.036 -5.565 11.566 185 HE3 LYS 23 HE1 LYS 23 4.315 -5.679 11.929 186 HZ1 LYS 23 HZ1 LYS 23 4.620 -8.072 12.298 187 HZ2 LYS 23 HZ2 LYS 23 5.543 -7.132 13.365 188 HZ3 LYS 23 HZ3 LYS 23 6.291 -7.895 12.045 189 H GLU 24 HN GLU 24 2.155 -5.448 5.311 190 HA GLU 24 HA GLU 24 4.076 -5.691 3.100 191 HB2 GLU 24 HB2 GLU 24 1.939 -7.643 3.961 192 HB3 GLU 24 HB1 GLU 24 2.793 -7.746 2.425 193 HG2 GLU 24 HG2 GLU 24 4.848 -8.187 3.477 194 HG3 GLU 24 HG1 GLU 24 4.231 -7.705 5.057 195 H PHE 25 HN PHE 25 3.542 -4.423 1.503 196 HA PHE 25 HA PHE 25 0.754 -4.156 0.687 197 HD1 PHE 25 HD2 PHE 25 -0.989 -2.110 0.351 198 HD2 PHE 25 HD1 PHE 25 2.821 -0.248 -0.011 199 HE1 PHE 25 HE2 PHE 25 -1.916 -0.533 -1.293 200 HE2 PHE 25 HE1 PHE 25 1.900 1.328 -1.656 201 HZ PHE 25 HZ PHE 25 -0.472 1.189 -2.298 202 HB2 PHE 25 HB2 PHE 25 0.892 -2.280 2.131 203 HB3 PHE 25 HB1 PHE 25 2.516 -1.880 1.589 204 H MET 26 HN MET 26 0.522 -3.836 -1.502 205 HA MET 26 HA MET 26 2.992 -3.392 -3.032 206 HB2 MET 26 HB2 MET 26 2.129 -5.778 -3.123 207 HB3 MET 26 HB1 MET 26 0.714 -5.147 -3.957 208 HG2 MET 26 HG2 MET 26 2.028 -4.407 -5.794 209 HG3 MET 26 HG1 MET 26 3.527 -4.748 -4.932 210 HE1 MET 26 HE1 MET 26 3.841 -7.463 -7.626 211 HE2 MET 26 HE2 MET 26 4.682 -6.245 -6.665 212 HE3 MET 26 HE3 MET 26 3.397 -5.762 -7.774 213 H CYS 27 HN CYS 27 2.887 -1.826 -4.528 214 HA CYS 27 HA CYS 27 0.780 0.023 -4.518 215 HB2 CYS 27 HB2 CYS 27 2.913 -0.376 -6.620 216 HB3 CYS 27 HB1 CYS 27 1.909 1.056 -6.443 217 H VAL 28 HN VAL 28 -1.143 -0.057 -5.456 218 HA VAL 28 HA VAL 28 -1.922 -2.039 -7.321 219 HB VAL 28 HB VAL 28 -3.307 0.592 -6.759 220 HG11 VAL 28 HG11 VAL 28 -5.342 -0.607 -7.413 221 HG12 VAL 28 HG12 VAL 28 -4.378 -2.035 -7.786 222 HG13 VAL 28 HG13 VAL 28 -4.165 -0.558 -8.725 223 HG21 VAL 28 HG21 VAL 28 -4.596 -0.622 -5.063 224 HG22 VAL 28 HG22 VAL 28 -2.878 -0.584 -4.670 225 HG23 VAL 28 HG23 VAL 28 -3.599 -2.051 -5.332 226 H GLY 29 HN GLY 29 -2.148 -1.955 -9.531 227 HA2 GLY 29 HA2 GLY 29 -1.714 0.525 -10.966 228 HA3 GLY 29 HA1 GLY 29 -0.446 -0.679 -11.168 229 H ALA 30 HN ALA 30 -0.850 -0.982 -13.356 230 HA ALA 30 HA ALA 30 -3.461 -1.714 -14.310 231 HB1 ALA 30 HB1 ALA 30 -0.765 -1.925 -15.648 232 HB2 ALA 30 HB2 ALA 30 -1.885 -0.567 -15.772 233 HB3 ALA 30 HB3 ALA 30 -2.325 -2.138 -16.440 234 H THR 31 HN THR 31 -3.972 -3.788 -15.278 235 HA THR 31 HA THR 31 -3.107 -5.940 -13.561 236 HB THR 31 HB THR 31 -5.013 -6.213 -15.876 237 HG1 THR 31 HG1 THR 31 -5.347 -4.860 -13.420 238 HG21 THR 31 HG21 THR 31 -6.052 -7.893 -14.423 239 HG22 THR 31 HG22 THR 31 -4.857 -7.553 -13.170 240 HG23 THR 31 HG23 THR 31 -4.350 -8.262 -14.704 241 H GLN 32 HN GLN 32 -0.881 -5.944 -14.364 242 HA GLN 32 HA GLN 32 -0.534 -7.855 -16.503 243 HB2 GLN 32 HB2 GLN 32 0.930 -6.488 -17.862 244 HB3 GLN 32 HB1 GLN 32 -0.613 -5.664 -17.693 245 HG2 GLN 32 HG2 GLN 32 0.389 -4.257 -15.915 246 HG3 GLN 32 HG1 GLN 32 1.941 -5.031 -16.232 247 HE21 GLN 32 HE21 GLN 32 2.987 -4.644 -18.213 248 HE22 GLN 32 HE22 GLN 32 2.583 -3.268 -19.188 249 HA PRO 33 HA PRO 33 3.043 -9.129 -14.170 250 HB2 PRO 33 HB2 PRO 33 4.709 -8.777 -16.610 251 HB3 PRO 33 HB1 PRO 33 4.509 -10.199 -15.579 252 HG2 PRO 33 HG2 PRO 33 3.359 -10.082 -17.977 253 HG3 PRO 33 HG1 PRO 33 2.525 -10.824 -16.600 254 HD2 PRO 33 HD2 PRO 33 2.101 -8.152 -17.862 255 HD3 PRO 33 HD1 PRO 33 0.912 -9.282 -17.186 256 H PHE 34 HN PHE 34 4.610 -8.171 -12.954 257 HA PHE 34 HA PHE 34 4.840 -5.311 -13.316 258 HD1 PHE 34 HD2 PHE 34 3.420 -8.054 -10.919 259 HD2 PHE 34 HD1 PHE 34 4.134 -3.864 -10.710 260 HE1 PHE 34 HE2 PHE 34 1.151 -7.715 -10.028 261 HE2 PHE 34 HE1 PHE 34 1.868 -3.517 -9.820 262 HZ PHE 34 HZ PHE 34 0.373 -5.444 -9.479 263 HB2 PHE 34 HB2 PHE 34 5.686 -7.131 -11.061 264 HB3 PHE 34 HB1 PHE 34 5.943 -5.389 -11.062 265 H ASP 35 HN ASP 35 6.149 -5.169 -15.076 266 HA ASP 35 HA ASP 35 8.969 -5.913 -14.692 267 HB2 ASP 35 HB2 ASP 35 8.148 -6.841 -16.727 268 HB3 ASP 35 HB1 ASP 35 7.324 -5.348 -17.160 269 H HIS 36 HN HIS 36 6.936 -3.328 -15.993 270 HA HIS 36 HA HIS 36 9.044 -1.393 -15.403 271 HD1 HIS 36 HD1 HIS 36 6.479 1.644 -16.946 272 HD2 HIS 36 HD2 HIS 36 10.341 0.182 -17.465 273 HE1 HIS 36 HE1 HIS 36 7.923 3.664 -17.378 274 HE2 HIS 36 HE2 HIS 36 10.223 2.734 -17.851 275 HB2 HIS 36 HB2 HIS 36 7.994 -1.568 -17.719 276 HB3 HIS 36 HB1 HIS 36 6.552 -0.854 -17.003 277 HA PRO 37 HA PRO 37 4.946 0.226 -13.093 278 HB2 PRO 37 HB2 PRO 37 3.746 -1.960 -11.865 279 HB3 PRO 37 HB1 PRO 37 3.116 -1.100 -13.274 280 HG2 PRO 37 HG2 PRO 37 4.711 -3.623 -13.147 281 HG3 PRO 37 HG1 PRO 37 3.333 -3.217 -14.188 282 HD2 PRO 37 HD2 PRO 37 5.814 -3.166 -15.141 283 HD3 PRO 37 HD1 PRO 37 4.638 -1.921 -15.614 284 H HIS 38 HN HIS 38 4.279 -1.402 -10.641 285 HA HIS 38 HA HIS 38 6.638 -0.445 -9.196 286 HD2 HIS 38 HD2 HIS 38 3.402 0.743 -10.565 287 HE1 HIS 38 HE1 HIS 38 3.659 4.024 -7.904 288 HE2 HIS 38 HE2 HIS 38 2.756 3.203 -10.095 289 HB2 HIS 38 HB2 HIS 38 3.888 -1.133 -8.136 290 HB3 HIS 38 HB1 HIS 38 5.199 -0.413 -7.212 291 H ILE 39 HN ILE 39 6.500 -1.739 -6.850 292 HA ILE 39 HA ILE 39 6.860 -4.582 -7.501 293 HB ILE 39 HB ILE 39 9.036 -3.328 -7.418 294 HG12 ILE 39 HG12 ILE 39 8.718 -5.340 -5.178 295 HG13 ILE 39 HG11 ILE 39 8.890 -5.757 -6.879 296 HG21 ILE 39 HG21 ILE 39 8.446 -1.671 -5.752 297 HG22 ILE 39 HG22 ILE 39 9.876 -2.570 -5.240 298 HG23 ILE 39 HG23 ILE 39 8.305 -2.926 -4.521 299 HD11 ILE 39 HD11 ILE 39 10.926 -4.313 -5.199 300 HD12 ILE 39 HD12 ILE 39 11.100 -4.732 -6.903 301 HD13 ILE 39 HD13 ILE 39 10.986 -6.007 -5.690 302 H PHE 40 HN PHE 40 6.969 -5.905 -5.377 303 HA PHE 40 HA PHE 40 4.817 -5.069 -3.629 304 HD1 PHE 40 HD2 PHE 40 2.967 -6.936 -2.824 305 HD2 PHE 40 HD1 PHE 40 6.774 -8.199 -1.401 306 HE1 PHE 40 HE2 PHE 40 1.934 -7.654 -0.711 307 HE2 PHE 40 HE1 PHE 40 5.747 -8.922 0.715 308 HZ PHE 40 HZ PHE 40 3.325 -8.649 1.060 309 HB2 PHE 40 HB2 PHE 40 4.930 -7.405 -4.357 310 HB3 PHE 40 HB1 PHE 40 6.528 -7.570 -3.638 311 H ILE 41 HN ILE 41 5.070 -4.088 -1.731 312 HA ILE 41 HA ILE 41 7.788 -3.734 -0.697 313 HB ILE 41 HB ILE 41 5.230 -2.207 -0.186 314 HG12 ILE 41 HG12 ILE 41 6.837 -0.299 -0.953 315 HG13 ILE 41 HG11 ILE 41 7.797 -1.613 -1.624 316 HG21 ILE 41 HG21 ILE 41 6.409 -2.383 1.918 317 HG22 ILE 41 HG22 ILE 41 6.513 -0.738 1.293 318 HG23 ILE 41 HG23 ILE 41 7.895 -1.819 1.158 319 HD11 ILE 41 HD11 ILE 41 4.927 -1.014 -2.295 320 HD12 ILE 41 HD12 ILE 41 5.908 -2.306 -2.986 321 HD13 ILE 41 HD13 ILE 41 6.331 -0.621 -3.288 322 H ASP 42 HN ASP 42 8.285 -5.371 0.669 323 HA ASP 42 HA ASP 42 6.375 -5.861 2.859 324 HB2 ASP 42 HB2 ASP 42 7.162 -8.025 3.127 325 HB3 ASP 42 HB1 ASP 42 7.299 -7.830 1.385 326 H MET 43 HN MET 43 7.000 -5.499 4.920 327 HA MET 43 HA MET 43 9.655 -4.293 5.245 328 HB2 MET 43 HB2 MET 43 6.997 -3.672 6.459 329 HB3 MET 43 HB1 MET 43 8.457 -3.324 7.382 330 HG2 MET 43 HG2 MET 43 9.297 -1.935 5.598 331 HG3 MET 43 HG1 MET 43 7.907 -2.340 4.596 332 HE1 MET 43 HE1 MET 43 5.382 -2.111 6.171 333 HE2 MET 43 HE2 MET 43 5.661 -1.214 4.679 334 HE3 MET 43 HE3 MET 43 5.011 -0.388 6.095 335 H GLY 44 HN GLY 44 9.289 -7.081 5.304 336 HA2 GLY 44 HA2 GLY 44 9.462 -7.890 8.082 337 HA3 GLY 44 HA1 GLY 44 9.756 -8.905 6.671 338 H SER 45 HN SER 45 11.549 -6.794 5.582 339 HA SER 45 HA SER 45 13.982 -7.645 6.877 340 HG SER 45 HG SER 45 13.641 -5.169 3.726 341 HB2 SER 45 HB2 SER 45 14.979 -6.148 5.026 342 HB3 SER 45 HB1 SER 45 14.113 -7.600 4.522 343 H THR 46 HN THR 46 12.747 -4.448 5.907 344 HA THR 46 HA THR 46 13.864 -3.347 8.398 345 HB THR 46 HB THR 46 14.129 -1.186 7.162 346 HG1 THR 46 HG1 THR 46 13.195 -1.094 5.262 347 HG21 THR 46 HG21 THR 46 16.055 -2.642 7.495 348 HG22 THR 46 HG22 THR 46 16.148 -1.847 5.923 349 HG23 THR 46 HG23 THR 46 15.649 -3.536 6.029 350 H ASP 47 HN ASP 47 12.658 -1.656 9.384 351 HA ASP 47 HA ASP 47 9.809 -1.999 9.026 352 HB2 ASP 47 HB2 ASP 47 9.700 -0.478 11.060 353 HB3 ASP 47 HB1 ASP 47 10.505 -2.025 11.284 354 H GLU 48 HN GLU 48 11.704 -0.376 7.227 355 HA GLU 48 HA GLU 48 9.698 1.588 6.557 356 HB2 GLU 48 HB2 GLU 48 11.368 3.439 6.403 357 HB3 GLU 48 HB1 GLU 48 11.029 2.927 8.050 358 HG2 GLU 48 HG2 GLU 48 13.108 1.608 8.036 359 HG3 GLU 48 HG1 GLU 48 13.455 2.211 6.415 360 H LYS 49 HN LYS 49 9.573 1.804 4.351 361 HA LYS 49 HA LYS 49 11.840 0.897 2.725 362 HB2 LYS 49 HB2 LYS 49 9.810 -0.835 3.341 363 HB3 LYS 49 HB1 LYS 49 9.251 -0.155 1.821 364 HG2 LYS 49 HG2 LYS 49 11.521 -0.748 0.875 365 HG3 LYS 49 HG1 LYS 49 11.781 -1.680 2.353 366 HD2 LYS 49 HD2 LYS 49 9.614 -2.865 1.845 367 HD3 LYS 49 HD1 LYS 49 9.643 -2.075 0.269 368 HE2 LYS 49 HE2 LYS 49 10.577 -4.184 -0.105 369 HE3 LYS 49 HE1 LYS 49 11.959 -3.095 -0.010 370 HZ1 LYS 49 HZ1 LYS 49 12.162 -5.242 1.242 371 HZ2 LYS 49 HZ2 LYS 49 10.983 -4.655 2.311 372 HZ3 LYS 49 HZ3 LYS 49 12.462 -3.843 2.154 373 H ILE 50 HN ILE 50 12.162 2.335 1.135 374 HA ILE 50 HA ILE 50 10.042 4.150 0.329 375 HB ILE 50 HB ILE 50 12.515 4.799 0.575 376 HG12 ILE 50 HG12 ILE 50 11.092 5.469 -2.013 377 HG13 ILE 50 HG11 ILE 50 10.809 6.251 -0.462 378 HG21 ILE 50 HG21 ILE 50 13.929 4.452 -1.379 379 HG22 ILE 50 HG22 ILE 50 12.654 3.508 -2.149 380 HG23 ILE 50 HG23 ILE 50 13.436 2.906 -0.687 381 HD11 ILE 50 HD11 ILE 50 13.387 6.306 -2.014 382 HD12 ILE 50 HD12 ILE 50 13.096 7.097 -0.465 383 HD13 ILE 50 HD13 ILE 50 12.212 7.616 -1.901 384 H CYS 51 HN CYS 51 9.368 4.403 -1.969 385 HA CYS 51 HA CYS 51 9.472 1.736 -3.271 386 HB2 CYS 51 HB2 CYS 51 7.216 2.627 -2.729 387 HB3 CYS 51 HB1 CYS 51 7.532 4.006 -3.769 388 HA PRO 52 HA PRO 52 12.578 3.560 -5.966 389 HB2 PRO 52 HB2 PRO 52 12.149 1.508 -7.869 390 HB3 PRO 52 HB1 PRO 52 13.414 1.570 -6.640 391 HG2 PRO 52 HG2 PRO 52 10.813 0.139 -6.608 392 HG3 PRO 52 HG1 PRO 52 12.350 -0.300 -5.847 393 HD2 PRO 52 HD2 PRO 52 10.297 0.638 -4.406 394 HD3 PRO 52 HD1 PRO 52 11.976 1.067 -4.012 395 H TYR 53 HN TYR 53 9.610 2.154 -7.318 396 HA TYR 53 HA TYR 53 9.436 4.407 -9.183 397 HD1 TYR 53 HD1 TYR 53 10.149 3.165 -11.638 398 HD2 TYR 53 HD2 TYR 53 9.083 0.071 -8.919 399 HE1 TYR 53 HE1 TYR 53 11.949 1.755 -12.542 400 HE2 TYR 53 HE2 TYR 53 10.879 -1.346 -9.816 401 HH TYR 53 HH TYR 53 13.347 -0.157 -11.761 402 HB2 TYR 53 HB2 TYR 53 7.678 1.947 -9.153 403 HB3 TYR 53 HB1 TYR 53 7.908 3.094 -10.470 404 H CYS 54 HN CYS 54 8.874 5.851 -7.475 405 HA CYS 54 HA CYS 54 6.269 6.614 -7.181 406 HB2 CYS 54 HB2 CYS 54 6.963 4.466 -5.249 407 HB3 CYS 54 HB1 CYS 54 6.167 5.877 -4.577 408 H SER 55 HN SER 55 9.330 6.178 -5.449 409 HA SER 55 HA SER 55 10.266 7.235 -3.662 410 HG SER 55 HG SER 55 9.230 9.619 -5.768 411 HB2 SER 55 HB2 SER 55 8.110 9.366 -3.940 412 HB3 SER 55 HB1 SER 55 9.591 9.480 -2.988 413 H THR 56 HN THR 56 8.666 8.352 -1.419 414 HA THR 56 HA THR 56 6.742 8.151 -0.220 415 HB THR 56 HB THR 56 5.982 5.867 -2.058 416 HG1 THR 56 HG1 THR 56 5.214 8.625 -2.106 417 HG21 THR 56 HG21 THR 56 4.344 7.492 -0.113 418 HG22 THR 56 HG22 THR 56 4.873 5.825 0.127 419 HG23 THR 56 HG23 THR 56 3.736 6.210 -1.165 420 H LEU 57 HN LEU 57 8.465 7.619 1.184 421 HA LEU 57 HA LEU 57 9.220 4.949 1.695 422 HG LEU 57 HG LEU 57 10.627 4.638 3.650 423 HB2 LEU 57 HB2 LEU 57 10.484 6.991 2.403 424 HB3 LEU 57 HB1 LEU 57 9.244 7.277 3.606 425 HD11 LEU 57 HD11 LEU 57 12.457 6.219 3.321 426 HD12 LEU 57 HD12 LEU 57 12.466 5.568 4.960 427 HD13 LEU 57 HD13 LEU 57 11.861 7.197 4.663 428 HD21 LEU 57 HD21 LEU 57 10.376 4.983 6.080 429 HD22 LEU 57 HD22 LEU 57 8.837 5.078 5.226 430 HD23 LEU 57 HD23 LEU 57 9.639 6.553 5.764 431 H TYR 58 HN TYR 58 7.617 3.571 1.930 432 HA TYR 58 HA TYR 58 5.277 4.073 3.462 433 HD1 TYR 58 HD2 TYR 58 3.341 3.229 1.730 434 HD2 TYR 58 HD1 TYR 58 7.024 1.603 0.354 435 HE1 TYR 58 HE2 TYR 58 2.669 3.684 -0.594 436 HE2 TYR 58 HE1 TYR 58 6.363 2.055 -1.968 437 HH TYR 58 HH TYR 58 3.618 4.002 -2.759 438 HB2 TYR 58 HB2 TYR 58 6.469 1.413 2.621 439 HB3 TYR 58 HB1 TYR 58 4.816 1.687 3.161 440 H ARG 59 HN ARG 59 5.602 4.610 5.486 441 HA ARG 59 HA ARG 59 7.682 3.293 7.040 442 HE ARG 59 HE ARG 59 7.762 3.153 10.684 443 HB2 ARG 59 HB2 ARG 59 7.678 5.703 7.118 444 HB3 ARG 59 HB1 ARG 59 5.977 5.734 7.563 445 HG2 ARG 59 HG2 ARG 59 7.333 6.193 9.497 446 HG3 ARG 59 HG1 ARG 59 6.540 4.629 9.686 447 HD2 ARG 59 HD2 ARG 59 8.898 3.958 8.469 448 HD3 ARG 59 HD1 ARG 59 9.377 5.287 9.526 449 HH11 ARG 59 HH11 ARG 59 10.894 4.690 10.353 450 HH12 ARG 59 HH12 ARG 59 11.598 3.791 11.662 451 HH21 ARG 59 HH21 ARG 59 8.666 2.019 12.411 452 HH22 ARG 59 HH22 ARG 59 10.326 2.285 12.847 453 H TYR 60 HN TYR 60 7.118 1.492 8.066 454 HA TYR 60 HA TYR 60 4.451 1.005 8.984 455 HD1 TYR 60 HD2 TYR 60 3.427 -1.279 9.198 456 HD2 TYR 60 HD1 TYR 60 6.876 -1.550 11.679 457 HE1 TYR 60 HE2 TYR 60 2.182 -2.709 10.764 458 HE2 TYR 60 HE1 TYR 60 5.640 -2.981 13.251 459 HH TYR 60 HH TYR 60 3.380 -3.493 13.889 460 HB2 TYR 60 HB2 TYR 60 5.926 -0.867 8.380 461 HB3 TYR 60 HB1 TYR 60 7.037 -0.417 9.670 462 H ASP 61 HN ASP 61 3.626 2.132 10.579 463 HA ASP 61 HA ASP 61 5.371 2.877 12.830 464 HB2 ASP 61 HB2 ASP 61 4.424 4.789 11.568 465 HB3 ASP 61 HB1 ASP 61 2.803 4.200 11.928 466 HA PRO 62 HA PRO 62 2.930 -0.111 14.987 467 HB2 PRO 62 HB2 PRO 62 4.054 0.168 17.425 468 HB3 PRO 62 HB1 PRO 62 4.887 -0.621 16.080 469 HG2 PRO 62 HG2 PRO 62 5.185 2.168 17.120 470 HG3 PRO 62 HG1 PRO 62 6.441 1.027 16.605 471 HD2 PRO 62 HD2 PRO 62 5.524 3.055 15.029 472 HD3 PRO 62 HD1 PRO 62 6.155 1.529 14.381 473 H SER 63 HN SER 63 2.683 3.219 15.382 474 HA SER 63 HA SER 63 0.696 2.953 17.527 475 HG SER 63 HG SER 63 -0.190 5.210 17.878 476 HB2 SER 63 HB2 SER 63 2.531 4.660 17.769 477 HB3 SER 63 HB1 SER 63 1.847 5.509 16.382 478 H LEU 64 HN LEU 64 0.978 3.156 14.185 479 HA LEU 64 HA LEU 64 -1.544 4.455 13.672 480 HG LEU 64 HG LEU 64 0.996 5.246 12.423 481 HB2 LEU 64 HB2 LEU 64 0.345 2.863 11.940 482 HB3 LEU 64 HB1 LEU 64 -1.190 3.460 11.348 483 HD11 LEU 64 HD11 LEU 64 1.727 4.039 10.416 484 HD12 LEU 64 HD12 LEU 64 1.500 5.760 10.104 485 HD13 LEU 64 HD13 LEU 64 0.287 4.598 9.565 486 HD21 LEU 64 HD21 LEU 64 -1.522 5.817 10.858 487 HD22 LEU 64 HD22 LEU 64 -0.273 7.001 11.235 488 HD23 LEU 64 HD23 LEU 64 -1.205 6.259 12.538 489 H SER 65 HN SER 65 -2.714 2.802 11.813 490 HA SER 65 HA SER 65 -3.130 0.177 12.932 491 HG SER 65 HG SER 65 -3.667 1.549 14.781 492 HB2 SER 65 HB2 SER 65 -5.404 2.184 12.836 493 HB3 SER 65 HB1 SER 65 -5.565 0.473 13.230 494 H TYR 66 HN TYR 66 -5.218 -0.735 11.549 495 HA TYR 66 HA TYR 66 -4.351 -0.470 8.798 496 HD1 TYR 66 HD2 TYR 66 -3.633 -2.979 7.925 497 HD2 TYR 66 HD1 TYR 66 -5.480 -3.311 11.741 498 HE1 TYR 66 HE2 TYR 66 -1.916 -4.601 8.606 499 HE2 TYR 66 HE1 TYR 66 -3.766 -4.931 12.436 500 HH TYR 66 HH TYR 66 -0.898 -5.382 10.803 501 HB2 TYR 66 HB2 TYR 66 -6.573 -2.131 10.015 502 HB3 TYR 66 HB1 TYR 66 -6.012 -2.246 8.348 503 H ASN 67 HN ASN 67 -6.541 1.001 10.840 504 HA ASN 67 HA ASN 67 -8.258 1.964 8.673 505 HB2 ASN 67 HB2 ASN 67 -9.295 1.129 10.779 506 HB3 ASN 67 HB1 ASN 67 -8.469 2.406 11.663 507 HD21 ASN 67 HD21 ASN 67 -10.955 1.666 9.345 508 HD22 ASN 67 HD22 ASN 67 -11.799 3.180 9.467 509 H GLN 68 HN GLN 68 -5.414 2.746 10.155 510 HA GLN 68 HA GLN 68 -5.800 5.641 9.778 511 HB2 GLN 68 HB2 GLN 68 -3.966 4.231 11.725 512 HB3 GLN 68 HB1 GLN 68 -4.031 5.970 11.477 513 HG2 GLN 68 HG2 GLN 68 -6.308 6.037 12.277 514 HG3 GLN 68 HG1 GLN 68 -6.327 4.281 12.441 515 HE21 GLN 68 HE21 GLN 68 -6.775 4.362 14.613 516 HE22 GLN 68 HE22 GLN 68 -5.595 4.845 15.790 517 H THR 69 HN THR 69 -3.768 6.806 9.193 518 HA THR 69 HA THR 69 -1.564 5.475 8.081 519 HB THR 69 HB THR 69 -3.174 4.608 6.460 520 HG1 THR 69 HG1 THR 69 -0.957 5.528 5.829 521 HG21 THR 69 HG21 THR 69 -4.875 6.344 6.585 522 HG22 THR 69 HG22 THR 69 -4.371 6.094 4.915 523 HG23 THR 69 HG23 THR 69 -3.783 7.493 5.811 524 H ASN 70 HN ASN 70 -1.728 7.472 5.736 525 HA ASN 70 HA ASN 70 -0.509 9.668 7.243 526 HB2 ASN 70 HB2 ASN 70 0.938 8.553 5.681 527 HB3 ASN 70 HB1 ASN 70 -0.251 8.679 4.395 528 HD21 ASN 70 HD21 ASN 70 2.254 10.272 6.158 529 HD22 ASN 70 HD22 ASN 70 2.345 11.677 5.141 530 HA PRO 71 HA PRO 71 -3.670 12.646 6.690 531 HB2 PRO 71 HB2 PRO 71 -1.491 14.291 5.466 532 HB3 PRO 71 HB1 PRO 71 -2.687 14.738 6.689 533 HG2 PRO 71 HG2 PRO 71 -0.208 14.150 7.408 534 HG3 PRO 71 HG1 PRO 71 -1.583 13.588 8.377 535 HD2 PRO 71 HD2 PRO 71 0.192 12.061 6.546 536 HD3 PRO 71 HD1 PRO 71 -0.646 11.528 8.016 537 H THR 72 HN THR 72 -4.710 14.124 5.186 538 HA THR 72 HA THR 72 -5.668 14.712 3.224 539 HB THR 72 HB THR 72 -3.446 13.176 1.861 540 HG1 THR 72 HG1 THR 72 -2.325 14.998 1.978 541 HG21 THR 72 HG21 THR 72 -4.078 14.487 -0.128 542 HG22 THR 72 HG22 THR 72 -5.443 15.162 0.761 543 HG23 THR 72 HG23 THR 72 -5.390 13.436 0.404 544 H GLY 73 HN GLY 73 -4.486 11.347 2.895 545 HA2 GLY 73 HA2 GLY 73 -6.273 9.634 3.294 546 HA3 GLY 73 HA1 GLY 73 -7.279 10.616 2.238 547 H CYS 74 HN CYS 74 -4.261 8.792 2.325 548 HA CYS 74 HA CYS 74 -4.185 8.580 -0.559 549 HG CYS 74 HG CYS 74 -1.276 9.711 2.070 550 HB2 CYS 74 HB2 CYS 74 -2.344 7.435 1.556 551 HB3 CYS 74 HB1 CYS 74 -2.028 7.479 -0.176 552 H LEU 75 HN LEU 75 -6.426 7.359 0.681 553 HA LEU 75 HA LEU 75 -5.923 4.488 0.627 554 HG LEU 75 HG LEU 75 -8.430 4.878 3.347 555 HB2 LEU 75 HB2 LEU 75 -8.351 6.163 1.240 556 HB3 LEU 75 HB1 LEU 75 -8.474 4.433 0.995 557 HD11 LEU 75 HD11 LEU 75 -6.518 3.550 4.043 558 HD12 LEU 75 HD12 LEU 75 -5.763 3.795 2.470 559 HD13 LEU 75 HD13 LEU 75 -7.264 2.878 2.594 560 HD21 LEU 75 HD21 LEU 75 -7.373 7.067 3.322 561 HD22 LEU 75 HD22 LEU 75 -5.833 6.332 2.877 562 HD23 LEU 75 HD23 LEU 75 -6.552 5.988 4.450 563 H TYR 76 HN TYR 76 -6.312 3.222 -1.113 564 HA TYR 76 HA TYR 76 -7.120 4.531 -3.557 565 HD1 TYR 76 HD2 TYR 76 -5.765 4.115 -5.775 566 HD2 TYR 76 HD1 TYR 76 -7.576 0.408 -4.730 567 HE1 TYR 76 HE2 TYR 76 -6.299 3.714 -8.142 568 HE2 TYR 76 HE1 TYR 76 -8.116 0.000 -7.093 569 HH TYR 76 HH TYR 76 -6.810 1.894 -9.641 570 HB2 TYR 76 HB2 TYR 76 -5.284 2.867 -3.567 571 HB3 TYR 76 HB1 TYR 76 -6.432 1.617 -3.092 572 H ASN 77 HN ASN 77 -9.229 5.018 -3.513 573 HA ASN 77 HA ASN 77 -11.094 2.765 -3.508 574 HB2 ASN 77 HB2 ASN 77 -12.652 3.846 -2.069 575 HB3 ASN 77 HB1 ASN 77 -11.095 3.976 -1.262 576 HD21 ASN 77 HD21 ASN 77 -10.006 6.023 -1.305 577 HD22 ASN 77 HD22 ASN 77 -10.906 7.481 -1.510 578 HA PRO 78 HA PRO 78 -12.608 4.782 -7.148 579 HB2 PRO 78 HB2 PRO 78 -15.298 3.772 -6.606 580 HB3 PRO 78 HB1 PRO 78 -14.166 3.300 -7.874 581 HG2 PRO 78 HG2 PRO 78 -14.795 1.662 -5.822 582 HG3 PRO 78 HG1 PRO 78 -13.190 1.664 -6.577 583 HD2 PRO 78 HD2 PRO 78 -14.086 2.969 -4.029 584 HD3 PRO 78 HD1 PRO 78 -12.602 2.046 -4.357 585 H LYS 79 HN LYS 79 -12.362 6.727 -5.480 586 HA LYS 79 HA LYS 79 -14.848 7.924 -4.664 587 HB2 LYS 79 HB2 LYS 79 -12.745 8.179 -3.375 588 HB3 LYS 79 HB1 LYS 79 -12.054 9.079 -4.716 589 HG2 LYS 79 HG2 LYS 79 -13.663 10.845 -4.421 590 HG3 LYS 79 HG1 LYS 79 -14.494 9.919 -3.168 591 HD2 LYS 79 HD2 LYS 79 -12.554 10.036 -1.737 592 HD3 LYS 79 HD1 LYS 79 -11.628 10.841 -3.006 593 HE2 LYS 79 HE2 LYS 79 -13.173 12.734 -2.927 594 HE3 LYS 79 HE1 LYS 79 -14.094 11.929 -1.656 595 HZ1 LYS 79 HZ1 LYS 79 -11.221 12.602 -1.383 596 HZ2 LYS 79 HZ2 LYS 79 -12.305 12.133 -0.160 597 HZ3 LYS 79 HZ3 LYS 79 -12.466 13.647 -0.901 598 H LEU 80 HN LEU 80 -16.082 9.216 -5.837 599 HA LEU 80 HA LEU 80 -15.344 9.828 -8.539 600 HG LEU 80 HG LEU 80 -17.727 8.204 -7.235 601 HB2 LEU 80 HB2 LEU 80 -17.787 10.631 -6.958 602 HB3 LEU 80 HB1 LEU 80 -17.582 10.847 -8.686 603 HD11 LEU 80 HD11 LEU 80 -19.875 9.351 -7.370 604 HD12 LEU 80 HD12 LEU 80 -19.844 7.936 -8.422 605 HD13 LEU 80 HD13 LEU 80 -19.667 9.550 -9.111 606 HD21 LEU 80 HD21 LEU 80 -17.723 7.196 -9.457 607 HD22 LEU 80 HD22 LEU 80 -16.231 8.090 -9.165 608 HD23 LEU 80 HD23 LEU 80 -17.490 8.785 -10.187 609 H GLU 81 HN GLU 81 -13.615 11.237 -8.403 610 HA GLU 81 HA GLU 81 -14.299 13.941 -7.458 611 HB2 GLU 81 HB2 GLU 81 -11.543 12.734 -7.793 612 HB3 GLU 81 HB1 GLU 81 -11.898 14.356 -7.211 613 HG2 GLU 81 HG2 GLU 81 -13.227 13.199 -5.363 614 HG3 GLU 81 HG1 GLU 81 -12.387 11.731 -5.856 615 H HIS 82 HN HIS 82 -12.268 15.318 -8.772 616 HA HIS 82 HA HIS 82 -13.355 15.539 -11.407 617 HD1 HIS 82 HD1 HIS 82 -12.396 19.629 -11.050 618 HD2 HIS 82 HD2 HIS 82 -11.578 16.510 -13.684 619 HE1 HIS 82 HE1 HIS 82 -12.483 20.641 -13.356 620 HE2 HIS 82 HE2 HIS 82 -11.984 18.738 -14.938 621 HB2 HIS 82 HB2 HIS 82 -12.356 17.398 -9.916 622 HB3 HIS 82 HB1 HIS 82 -10.790 16.823 -10.467 623 H HIS 83 HN HIS 83 -12.678 13.042 -11.446 624 HA HIS 83 HA HIS 83 -11.500 11.383 -12.432 625 HD1 HIS 83 HD1 HIS 83 -11.558 11.325 -16.436 626 HD2 HIS 83 HD2 HIS 83 -13.755 13.488 -13.633 627 HE1 HIS 83 HE1 HIS 83 -13.944 11.243 -17.224 628 HE2 HIS 83 HE2 HIS 83 -15.244 12.631 -15.567 629 HB2 HIS 83 HB2 HIS 83 -10.619 13.703 -14.150 630 HB3 HIS 83 HB1 HIS 83 -10.161 12.037 -14.492 631 H HIS 84 HN HIS 84 -10.264 10.736 -10.743 632 HA HIS 84 HA HIS 84 -7.946 12.241 -9.943 633 HD1 HIS 84 HD1 HIS 84 -7.351 12.299 -6.906 634 HD2 HIS 84 HD2 HIS 84 -6.787 8.372 -8.154 635 HE1 HIS 84 HE1 HIS 84 -5.359 11.451 -5.619 636 HE2 HIS 84 HE2 HIS 84 -4.891 9.167 -6.596 637 HB2 HIS 84 HB2 HIS 84 -9.358 11.245 -8.236 638 HB3 HIS 84 HB1 HIS 84 -9.110 9.644 -8.920 639 H HIS 85 HN HIS 85 -8.349 8.781 -10.830 640 HA HIS 85 HA HIS 85 -5.540 8.882 -11.737 641 HD1 HIS 85 HD1 HIS 85 -3.856 8.051 -12.027 642 HD2 HIS 85 HD2 HIS 85 -4.750 4.609 -9.868 643 HE1 HIS 85 HE1 HIS 85 -1.731 6.715 -11.971 644 HE2 HIS 85 HE2 HIS 85 -2.342 4.562 -10.825 645 HB2 HIS 85 HB2 HIS 85 -6.275 7.400 -9.702 646 HB3 HIS 85 HB1 HIS 85 -6.874 6.315 -10.951 647 H HIS 86 HN HIS 86 -8.252 9.269 -13.061 648 HA HIS 86 HA HIS 86 -7.504 8.024 -15.541 649 HD1 HIS 86 HD1 HIS 86 -8.349 5.503 -17.000 650 HD2 HIS 86 HD2 HIS 86 -11.816 7.738 -16.460 651 HE1 HIS 86 HE1 HIS 86 -9.685 5.204 -19.109 652 HE2 HIS 86 HE2 HIS 86 -11.879 6.360 -18.651 653 HB2 HIS 86 HB2 HIS 86 -8.841 6.222 -14.518 654 HB3 HIS 86 HB1 HIS 86 -10.171 7.345 -14.266 655 H HIS 87 HN HIS 87 -7.347 10.033 -16.427 656 HA HIS 87 HA HIS 87 -9.427 11.996 -15.974 657 HD1 HIS 87 HD1 HIS 87 -7.598 14.746 -15.171 658 HD2 HIS 87 HD2 HIS 87 -8.739 14.210 -19.139 659 HE1 HIS 87 HE1 HIS 87 -8.449 16.985 -15.945 660 HE2 HIS 87 HE2 HIS 87 -9.217 16.617 -18.321 661 HB2 HIS 87 HB2 HIS 87 -6.928 12.508 -16.079 662 HB3 HIS 87 HB1 HIS 87 -7.052 12.264 -17.819 Start of MODEL 3 1 HA MET 1 HA MET 1 -17.894 -8.782 -1.227 2 H1 MET 1 HT1 MET 1 -20.163 -9.493 -1.591 3 H2 MET 1 HT2 MET 1 -19.767 -11.066 -1.085 4 H3 MET 1 HT3 MET 1 -19.066 -10.422 -2.491 5 HB2 MET 1 HB2 MET 1 -19.393 -10.043 1.057 6 HB3 MET 1 HB1 MET 1 -17.877 -9.194 1.324 7 HG2 MET 1 HG2 MET 1 -20.360 -8.017 0.094 8 HG3 MET 1 HG1 MET 1 -19.797 -7.761 1.746 9 HE1 MET 1 HE1 MET 1 -19.132 -4.279 0.079 10 HE2 MET 1 HE2 MET 1 -19.902 -5.130 1.418 11 HE3 MET 1 HE3 MET 1 -20.489 -5.362 -0.228 12 H ALA 2 HN ALA 2 -16.172 -9.516 0.659 13 HA ALA 2 HA ALA 2 -15.331 -12.259 0.071 14 HB1 ALA 2 HB1 ALA 2 -14.093 -10.790 -1.457 15 HB2 ALA 2 HB2 ALA 2 -13.028 -11.544 -0.271 16 HB3 ALA 2 HB3 ALA 2 -13.506 -9.858 -0.078 17 H ASP 3 HN ASP 3 -13.496 -12.885 1.600 18 HA ASP 3 HA ASP 3 -14.075 -11.722 4.250 19 HB2 ASP 3 HB2 ASP 3 -13.439 -14.607 3.588 20 HB3 ASP 3 HB1 ASP 3 -13.727 -13.965 5.201 21 H TYR 4 HN TYR 4 -11.665 -13.055 2.099 22 HA TYR 4 HA TYR 4 -9.557 -12.320 4.020 23 HD1 TYR 4 HD2 TYR 4 -8.520 -14.347 5.203 24 HD2 TYR 4 HD1 TYR 4 -10.745 -15.984 1.966 25 HE1 TYR 4 HE2 TYR 4 -9.211 -16.219 6.635 26 HE2 TYR 4 HE1 TYR 4 -11.445 -17.861 3.391 27 HH TYR 4 HH TYR 4 -11.209 -17.840 6.695 28 HB2 TYR 4 HB2 TYR 4 -9.416 -14.122 1.589 29 HB3 TYR 4 HB1 TYR 4 -8.084 -13.781 2.689 30 H ASN 5 HN ASN 5 -10.958 -10.371 2.501 31 HA ASN 5 HA ASN 5 -9.186 -9.632 0.313 32 HB2 ASN 5 HB2 ASN 5 -10.832 -7.836 -0.130 33 HB3 ASN 5 HB1 ASN 5 -11.566 -9.434 -0.131 34 HD21 ASN 5 HD21 ASN 5 -12.712 -6.752 0.321 35 HD22 ASN 5 HD22 ASN 5 -13.510 -6.842 1.852 36 H ILE 6 HN ILE 6 -7.701 -8.108 0.419 37 HA ILE 6 HA ILE 6 -7.213 -6.737 2.912 38 HB ILE 6 HB ILE 6 -5.258 -5.755 1.721 39 HG12 ILE 6 HG12 ILE 6 -6.166 -7.510 -0.576 40 HG13 ILE 6 HG11 ILE 6 -6.248 -5.752 -0.551 41 HG21 ILE 6 HG21 ILE 6 -5.015 -7.814 2.971 42 HG22 ILE 6 HG22 ILE 6 -4.006 -7.863 1.524 43 HG23 ILE 6 HG23 ILE 6 -5.528 -8.755 1.569 44 HD11 ILE 6 HD11 ILE 6 -3.819 -5.639 -0.422 45 HD12 ILE 6 HD12 ILE 6 -4.348 -6.543 -1.842 46 HD13 ILE 6 HD13 ILE 6 -3.734 -7.400 -0.428 47 HA PRO 7 HA PRO 7 -9.221 -2.889 2.084 48 HB2 PRO 7 HB2 PRO 7 -6.736 -1.526 2.960 49 HB3 PRO 7 HB1 PRO 7 -8.376 -1.409 3.610 50 HG2 PRO 7 HG2 PRO 7 -6.459 -2.728 4.926 51 HG3 PRO 7 HG1 PRO 7 -8.138 -3.301 4.915 52 HD2 PRO 7 HD2 PRO 7 -5.781 -4.298 3.365 53 HD3 PRO 7 HD1 PRO 7 -7.096 -5.212 4.132 54 H HIS 8 HN HIS 8 -9.387 -1.447 0.411 55 HA HIS 8 HA HIS 8 -7.304 -1.609 -1.630 56 HD1 HIS 8 HD1 HIS 8 -9.199 -2.043 -4.786 57 HD2 HIS 8 HD2 HIS 8 -10.391 -3.475 -1.060 58 HE1 HIS 8 HE1 HIS 8 -9.984 -4.399 -5.179 59 HE2 HIS 8 HE2 HIS 8 -10.500 -5.312 -2.886 60 HB2 HIS 8 HB2 HIS 8 -10.125 -0.532 -1.685 61 HB3 HIS 8 HB1 HIS 8 -8.998 -0.314 -3.019 62 H PHE 9 HN PHE 9 -5.790 -0.158 -1.709 63 HA PHE 9 HA PHE 9 -6.157 2.407 -0.340 64 HD1 PHE 9 HD2 PHE 9 -4.744 2.485 2.007 65 HD2 PHE 9 HD1 PHE 9 -3.633 -1.042 -0.103 66 HE1 PHE 9 HE2 PHE 9 -4.746 1.226 4.119 67 HE2 PHE 9 HE1 PHE 9 -3.633 -2.306 2.008 68 HZ PHE 9 HZ PHE 9 -4.189 -1.171 4.123 69 HB2 PHE 9 HB2 PHE 9 -3.607 1.017 -1.200 70 HB3 PHE 9 HB1 PHE 9 -3.698 2.527 -0.300 71 H GLN 10 HN GLN 10 -4.337 4.008 -1.482 72 HA GLN 10 HA GLN 10 -5.210 4.171 -4.292 73 HB2 GLN 10 HB2 GLN 10 -4.541 6.351 -2.313 74 HB3 GLN 10 HB1 GLN 10 -4.610 6.647 -4.043 75 HG2 GLN 10 HG2 GLN 10 -6.982 5.709 -3.929 76 HG3 GLN 10 HG1 GLN 10 -6.833 5.895 -2.177 77 HE21 GLN 10 HE21 GLN 10 -6.844 7.930 -1.287 78 HE22 GLN 10 HE22 GLN 10 -7.238 9.354 -2.186 79 H ASN 11 HN ASN 11 -3.553 5.589 -5.605 80 HA ASN 11 HA ASN 11 -1.302 3.785 -5.586 81 HB2 ASN 11 HB2 ASN 11 -2.683 4.493 -7.629 82 HB3 ASN 11 HB1 ASN 11 -1.746 5.984 -7.593 83 HD21 ASN 11 HD21 ASN 11 -0.476 2.864 -6.662 84 HD22 ASN 11 HD22 ASN 11 0.636 2.713 -7.977 85 H ASP 12 HN ASP 12 0.875 4.551 -6.115 86 HA ASP 12 HA ASP 12 1.641 6.386 -3.999 87 HB2 ASP 12 HB2 ASP 12 3.903 5.421 -4.343 88 HB3 ASP 12 HB1 ASP 12 2.684 4.199 -4.011 89 H LEU 13 HN LEU 13 0.765 7.087 -6.935 90 HA LEU 13 HA LEU 13 3.101 8.345 -8.029 91 HG LEU 13 HG LEU 13 1.000 6.357 -9.252 92 HB2 LEU 13 HB2 LEU 13 0.190 8.616 -8.775 93 HB3 LEU 13 HB1 LEU 13 1.523 9.300 -9.685 94 HD11 LEU 13 HD11 LEU 13 0.769 8.090 -11.709 95 HD12 LEU 13 HD12 LEU 13 -0.570 7.391 -10.798 96 HD13 LEU 13 HD13 LEU 13 0.555 6.340 -11.657 97 HD21 LEU 13 HD21 LEU 13 3.385 6.834 -9.362 98 HD22 LEU 13 HD22 LEU 13 3.143 7.751 -10.849 99 HD23 LEU 13 HD23 LEU 13 2.838 6.014 -10.824 100 H GLY 14 HN GLY 14 0.819 9.272 -5.669 101 HA2 GLY 14 HA2 GLY 14 1.247 12.130 -6.250 102 HA3 GLY 14 HA1 GLY 14 -0.115 11.481 -5.356 103 H TYR 15 HN TYR 15 2.231 9.744 -4.050 104 HA TYR 15 HA TYR 15 2.810 11.812 -2.037 105 HD1 TYR 15 HD2 TYR 15 -0.214 10.920 -2.303 106 HD2 TYR 15 HD1 TYR 15 1.973 10.714 1.345 107 HE1 TYR 15 HE2 TYR 15 -1.986 12.195 -1.172 108 HE2 TYR 15 HE1 TYR 15 0.206 11.989 2.482 109 HH TYR 15 HH TYR 15 -1.583 13.447 2.039 110 HB2 TYR 15 HB2 TYR 15 1.665 9.091 -1.722 111 HB3 TYR 15 HB1 TYR 15 2.810 9.625 -0.497 112 H LYS 16 HN LYS 16 4.764 11.698 -0.931 113 HA LYS 16 HA LYS 16 6.772 10.039 -2.290 114 HB2 LYS 16 HB2 LYS 16 7.032 12.706 -0.911 115 HB3 LYS 16 HB1 LYS 16 8.421 11.739 -1.385 116 HG2 LYS 16 HG2 LYS 16 7.659 11.842 -3.725 117 HG3 LYS 16 HG1 LYS 16 6.327 12.884 -3.217 118 HD2 LYS 16 HD2 LYS 16 7.878 14.565 -2.445 119 HD3 LYS 16 HD1 LYS 16 9.247 13.506 -2.790 120 HE2 LYS 16 HE2 LYS 16 8.670 13.558 -5.170 121 HE3 LYS 16 HE1 LYS 16 7.324 14.640 -4.814 122 HZ1 LYS 16 HZ1 LYS 16 8.876 16.289 -4.014 123 HZ2 LYS 16 HZ2 LYS 16 9.293 15.838 -5.593 124 HZ3 LYS 16 HZ3 LYS 16 10.184 15.243 -4.277 125 H ILE 17 HN ILE 17 5.367 10.792 0.774 126 HA ILE 17 HA ILE 17 6.888 8.515 1.837 127 HB ILE 17 HB ILE 17 6.189 10.977 3.465 128 HG12 ILE 17 HG12 ILE 17 8.804 10.858 3.805 129 HG13 ILE 17 HG11 ILE 17 8.758 10.030 2.253 130 HG21 ILE 17 HG21 ILE 17 5.968 8.938 4.757 131 HG22 ILE 17 HG22 ILE 17 7.376 9.854 5.294 132 HG23 ILE 17 HG23 ILE 17 7.587 8.431 4.273 133 HD11 ILE 17 HD11 ILE 17 9.202 12.398 1.979 134 HD12 ILE 17 HD12 ILE 17 7.697 12.792 2.809 135 HD13 ILE 17 HD13 ILE 17 7.655 11.961 1.254 136 H ILE 18 HN ILE 18 5.356 6.964 1.931 137 HA ILE 18 HA ILE 18 2.755 7.811 3.069 138 HB ILE 18 HB ILE 18 3.429 5.430 1.357 139 HG12 ILE 18 HG12 ILE 18 1.548 7.786 1.111 140 HG13 ILE 18 HG11 ILE 18 2.970 7.452 0.124 141 HG21 ILE 18 HG21 ILE 18 1.106 4.681 1.652 142 HG22 ILE 18 HG22 ILE 18 0.859 5.937 2.865 143 HG23 ILE 18 HG23 ILE 18 2.004 4.631 3.169 144 HD11 ILE 18 HD11 ILE 18 0.936 6.958 -1.093 145 HD12 ILE 18 HD12 ILE 18 0.417 5.848 0.174 146 HD13 ILE 18 HD13 ILE 18 1.843 5.476 -0.795 147 H GLU 19 HN GLU 19 2.215 7.298 5.012 148 HA GLU 19 HA GLU 19 3.892 5.497 6.560 149 HB2 GLU 19 HB2 GLU 19 1.579 7.225 7.471 150 HB3 GLU 19 HB1 GLU 19 2.801 6.471 8.489 151 HG2 GLU 19 HG2 GLU 19 4.509 7.896 7.613 152 HG3 GLU 19 HG1 GLU 19 3.406 8.548 6.403 153 H ILE 20 HN ILE 20 3.166 3.574 7.425 154 HA ILE 20 HA ILE 20 0.401 2.802 6.806 155 HB ILE 20 HB ILE 20 1.238 0.536 6.112 156 HG12 ILE 20 HG12 ILE 20 3.884 1.999 5.921 157 HG13 ILE 20 HG11 ILE 20 3.504 0.688 7.034 158 HG21 ILE 20 HG21 ILE 20 1.780 1.230 3.817 159 HG22 ILE 20 HG22 ILE 20 1.999 2.885 4.384 160 HG23 ILE 20 HG23 ILE 20 0.412 2.123 4.482 161 HD11 ILE 20 HD11 ILE 20 3.600 0.477 4.033 162 HD12 ILE 20 HD12 ILE 20 3.229 -0.834 5.153 163 HD13 ILE 20 HD13 ILE 20 4.831 -0.096 5.159 164 H GLY 21 HN GLY 21 -0.438 1.106 8.078 165 HA2 GLY 21 HA2 GLY 21 0.991 0.737 10.625 166 HA3 GLY 21 HA1 GLY 21 -0.744 0.571 10.395 167 H VAL 22 HN VAL 22 1.074 -0.790 7.905 168 HA VAL 22 HA VAL 22 0.990 -3.463 9.117 169 HB VAL 22 HB VAL 22 0.243 -4.386 6.915 170 HG11 VAL 22 HG11 VAL 22 -1.349 -4.115 8.729 171 HG12 VAL 22 HG12 VAL 22 -2.123 -3.794 7.177 172 HG13 VAL 22 HG13 VAL 22 -1.664 -2.454 8.229 173 HG21 VAL 22 HG21 VAL 22 -0.842 -2.881 5.308 174 HG22 VAL 22 HG22 VAL 22 0.877 -2.525 5.480 175 HG23 VAL 22 HG23 VAL 22 -0.320 -1.493 6.263 176 H LYS 23 HN LYS 23 2.338 -5.050 7.839 177 HA LYS 23 HA LYS 23 4.760 -3.674 6.913 178 HB2 LYS 23 HB2 LYS 23 4.296 -6.477 7.918 179 HB3 LYS 23 HB1 LYS 23 5.810 -5.967 7.182 180 HG2 LYS 23 HG2 LYS 23 6.026 -4.228 8.925 181 HG3 LYS 23 HG1 LYS 23 4.564 -4.856 9.688 182 HD2 LYS 23 HD2 LYS 23 5.635 -7.003 10.042 183 HD3 LYS 23 HD1 LYS 23 7.077 -6.450 9.191 184 HE2 LYS 23 HE2 LYS 23 5.993 -5.220 11.722 185 HE3 LYS 23 HE1 LYS 23 7.303 -6.397 11.660 186 HZ1 LYS 23 HZ1 LYS 23 7.374 -3.761 10.295 187 HZ2 LYS 23 HZ2 LYS 23 8.650 -4.863 10.442 188 HZ3 LYS 23 HZ3 LYS 23 8.061 -4.064 11.816 189 H GLU 24 HN GLU 24 2.112 -5.440 5.730 190 HA GLU 24 HA GLU 24 3.531 -6.043 3.230 191 HB2 GLU 24 HB2 GLU 24 0.783 -6.930 4.149 192 HB3 GLU 24 HB1 GLU 24 1.537 -7.375 2.628 193 HG2 GLU 24 HG2 GLU 24 1.980 -9.236 3.854 194 HG3 GLU 24 HG1 GLU 24 3.428 -8.294 4.204 195 H PHE 25 HN PHE 25 3.458 -4.418 1.795 196 HA PHE 25 HA PHE 25 0.861 -3.190 1.246 197 HD1 PHE 25 HD2 PHE 25 0.031 -0.953 2.990 198 HD2 PHE 25 HD1 PHE 25 2.499 0.002 -0.345 199 HE1 PHE 25 HE2 PHE 25 -1.523 0.845 2.359 200 HE2 PHE 25 HE1 PHE 25 0.945 1.802 -0.981 201 HZ PHE 25 HZ PHE 25 -1.069 2.224 0.371 202 HB2 PHE 25 HB2 PHE 25 2.331 -1.754 2.841 203 HB3 PHE 25 HB1 PHE 25 3.302 -1.436 1.408 204 H MET 26 HN MET 26 0.809 -2.133 -0.889 205 HA MET 26 HA MET 26 2.984 -2.839 -2.695 206 HB2 MET 26 HB2 MET 26 1.180 -4.735 -2.427 207 HB3 MET 26 HB1 MET 26 0.209 -3.694 -3.455 208 HG2 MET 26 HG2 MET 26 2.946 -4.695 -4.187 209 HG3 MET 26 HG1 MET 26 1.447 -5.500 -4.641 210 HE1 MET 26 HE1 MET 26 3.802 -4.488 -6.609 211 HE2 MET 26 HE2 MET 26 2.867 -3.827 -7.951 212 HE3 MET 26 HE3 MET 26 2.388 -5.353 -7.209 213 H CYS 27 HN CYS 27 3.195 -1.362 -4.321 214 HA CYS 27 HA CYS 27 1.570 0.966 -4.391 215 HB2 CYS 27 HB2 CYS 27 3.583 -0.078 -6.396 216 HB3 CYS 27 HB1 CYS 27 2.868 1.528 -6.437 217 H VAL 28 HN VAL 28 -0.511 0.666 -4.889 218 HA VAL 28 HA VAL 28 -1.834 -1.320 -6.046 219 HB VAL 28 HB VAL 28 -2.563 1.571 -6.508 220 HG11 VAL 28 HG11 VAL 28 -4.870 0.746 -6.564 221 HG12 VAL 28 HG12 VAL 28 -4.278 -0.909 -6.427 222 HG13 VAL 28 HG13 VAL 28 -3.896 0.047 -7.859 223 HG21 VAL 28 HG21 VAL 28 -3.831 1.379 -4.421 224 HG22 VAL 28 HG22 VAL 28 -2.104 1.132 -4.156 225 HG23 VAL 28 HG23 VAL 28 -3.199 -0.251 -4.189 226 H GLY 29 HN GLY 29 -1.560 -2.413 -7.845 227 HA2 GLY 29 HA2 GLY 29 -1.864 -1.099 -10.395 228 HA3 GLY 29 HA1 GLY 29 -0.283 -1.832 -10.148 229 H ALA 30 HN ALA 30 -1.965 -2.694 -12.183 230 HA ALA 30 HA ALA 30 -3.342 -5.078 -11.315 231 HB1 ALA 30 HB1 ALA 30 -2.735 -4.079 -14.094 232 HB2 ALA 30 HB2 ALA 30 -4.213 -3.768 -13.182 233 HB3 ALA 30 HB3 ALA 30 -3.817 -5.410 -13.688 234 H THR 31 HN THR 31 -2.845 -7.167 -12.518 235 HA THR 31 HA THR 31 -0.330 -8.077 -11.725 236 HB THR 31 HB THR 31 -1.606 -9.652 -13.853 237 HG1 THR 31 HG1 THR 31 -3.585 -9.379 -13.166 238 HG21 THR 31 HG21 THR 31 -1.466 -11.408 -12.149 239 HG22 THR 31 HG22 THR 31 -0.999 -10.209 -10.944 240 HG23 THR 31 HG23 THR 31 0.071 -10.558 -12.300 241 H GLN 32 HN GLN 32 1.573 -7.758 -12.586 242 HA GLN 32 HA GLN 32 2.220 -8.190 -15.303 243 HB2 GLN 32 HB2 GLN 32 2.947 -5.907 -15.881 244 HB3 GLN 32 HB1 GLN 32 1.215 -5.952 -15.581 245 HG2 GLN 32 HG2 GLN 32 1.595 -5.056 -13.333 246 HG3 GLN 32 HG1 GLN 32 3.324 -4.986 -13.666 247 HE21 GLN 32 HE21 GLN 32 1.420 -2.875 -12.999 248 HE22 GLN 32 HE22 GLN 32 1.534 -1.709 -14.274 249 HA PRO 33 HA PRO 33 6.384 -8.410 -13.458 250 HB2 PRO 33 HB2 PRO 33 7.270 -6.247 -15.314 251 HB3 PRO 33 HB1 PRO 33 8.000 -7.825 -15.001 252 HG2 PRO 33 HG2 PRO 33 6.650 -7.392 -17.246 253 HG3 PRO 33 HG1 PRO 33 6.507 -8.939 -16.387 254 HD2 PRO 33 HD2 PRO 33 4.595 -6.642 -16.490 255 HD3 PRO 33 HD1 PRO 33 4.263 -8.386 -16.467 256 H PHE 34 HN PHE 34 6.937 -7.484 -11.559 257 HA PHE 34 HA PHE 34 6.022 -4.721 -11.110 258 HD1 PHE 34 HD2 PHE 34 3.875 -4.656 -10.381 259 HD2 PHE 34 HD1 PHE 34 4.923 -8.504 -8.908 260 HE1 PHE 34 HE2 PHE 34 1.541 -5.387 -10.650 261 HE2 PHE 34 HE1 PHE 34 2.591 -9.246 -9.174 262 HZ PHE 34 HZ PHE 34 0.895 -7.684 -10.046 263 HB2 PHE 34 HB2 PHE 34 6.555 -6.927 -9.110 264 HB3 PHE 34 HB1 PHE 34 6.001 -5.305 -8.711 265 H ASP 35 HN ASP 35 8.769 -6.241 -11.871 266 HA ASP 35 HA ASP 35 10.489 -4.983 -9.893 267 HB2 ASP 35 HB2 ASP 35 12.313 -6.174 -10.989 268 HB3 ASP 35 HB1 ASP 35 10.981 -7.275 -10.646 269 H HIS 36 HN HIS 36 8.941 -3.756 -12.413 270 HA HIS 36 HA HIS 36 11.158 -1.934 -13.024 271 HD1 HIS 36 HD1 HIS 36 8.925 -0.528 -16.203 272 HD2 HIS 36 HD2 HIS 36 12.863 -1.796 -15.742 273 HE1 HIS 36 HE1 HIS 36 10.318 1.057 -17.571 274 HE2 HIS 36 HE2 HIS 36 12.704 0.338 -17.201 275 HB2 HIS 36 HB2 HIS 36 10.767 -3.509 -14.930 276 HB3 HIS 36 HB1 HIS 36 9.150 -2.832 -15.093 277 HA PRO 37 HA PRO 37 7.055 0.623 -13.495 278 HB2 PRO 37 HB2 PRO 37 5.015 -1.184 -12.364 279 HB3 PRO 37 HB1 PRO 37 4.933 -0.159 -13.800 280 HG2 PRO 37 HG2 PRO 37 5.129 -2.813 -14.020 281 HG3 PRO 37 HG1 PRO 37 5.978 -1.735 -15.146 282 HD2 PRO 37 HD2 PRO 37 7.053 -3.217 -12.771 283 HD3 PRO 37 HD1 PRO 37 7.763 -3.016 -14.387 284 H HIS 38 HN HIS 38 6.058 -1.565 -10.927 285 HA HIS 38 HA HIS 38 7.183 0.147 -8.875 286 HD2 HIS 38 HD2 HIS 38 3.871 1.897 -10.903 287 HE1 HIS 38 HE1 HIS 38 5.873 4.780 -8.527 288 HE2 HIS 38 HE2 HIS 38 4.603 4.364 -10.648 289 HB2 HIS 38 HB2 HIS 38 4.211 -0.242 -9.214 290 HB3 HIS 38 HB1 HIS 38 4.922 0.139 -7.649 291 H ILE 39 HN ILE 39 7.950 -1.045 -7.282 292 HA ILE 39 HA ILE 39 7.456 -3.901 -7.349 293 HB ILE 39 HB ILE 39 9.770 -2.988 -7.191 294 HG12 ILE 39 HG12 ILE 39 10.533 -4.497 -5.348 295 HG13 ILE 39 HG11 ILE 39 8.849 -4.709 -4.879 296 HG21 ILE 39 HG21 ILE 39 8.920 -2.131 -4.432 297 HG22 ILE 39 HG22 ILE 39 9.341 -1.071 -5.776 298 HG23 ILE 39 HG23 ILE 39 10.571 -2.106 -5.051 299 HD11 ILE 39 HD11 ILE 39 9.654 -6.576 -6.208 300 HD12 ILE 39 HD12 ILE 39 10.043 -5.477 -7.533 301 HD13 ILE 39 HD13 ILE 39 8.365 -5.708 -7.042 302 H PHE 40 HN PHE 40 6.827 -5.117 -5.506 303 HA PHE 40 HA PHE 40 4.954 -3.765 -3.780 304 HD1 PHE 40 HD2 PHE 40 6.481 -7.433 -2.135 305 HD2 PHE 40 HD1 PHE 40 5.587 -6.939 -6.264 306 HE1 PHE 40 HE2 PHE 40 7.959 -9.322 -2.677 307 HE2 PHE 40 HE1 PHE 40 7.062 -8.829 -6.814 308 HZ PHE 40 HZ PHE 40 8.251 -10.024 -5.020 309 HB2 PHE 40 HB2 PHE 40 4.592 -6.098 -2.860 310 HB3 PHE 40 HB1 PHE 40 4.232 -5.888 -4.568 311 H ILE 41 HN ILE 41 5.039 -3.778 -1.486 312 HA ILE 41 HA ILE 41 7.810 -3.708 -0.526 313 HB ILE 41 HB ILE 41 5.413 -2.044 0.149 314 HG12 ILE 41 HG12 ILE 41 7.169 -0.232 0.027 315 HG13 ILE 41 HG11 ILE 41 8.309 -1.469 -0.488 316 HG21 ILE 41 HG21 ILE 41 6.543 -1.159 2.131 317 HG22 ILE 41 HG22 ILE 41 7.821 -2.360 1.937 318 HG23 ILE 41 HG23 ILE 41 6.176 -2.876 2.308 319 HD11 ILE 41 HD11 ILE 41 7.461 -0.234 -2.383 320 HD12 ILE 41 HD12 ILE 41 5.806 -0.649 -1.940 321 HD13 ILE 41 HD13 ILE 41 6.924 -1.913 -2.456 322 H ASP 42 HN ASP 42 8.289 -5.492 0.520 323 HA ASP 42 HA ASP 42 6.434 -6.466 2.585 324 HB2 ASP 42 HB2 ASP 42 7.215 -8.193 0.989 325 HB3 ASP 42 HB1 ASP 42 8.884 -7.812 1.399 326 H MET 43 HN MET 43 6.812 -5.436 4.435 327 HA MET 43 HA MET 43 9.407 -4.323 5.028 328 HB2 MET 43 HB2 MET 43 7.317 -3.135 5.584 329 HB3 MET 43 HB1 MET 43 6.899 -4.419 6.709 330 HG2 MET 43 HG2 MET 43 8.942 -3.892 8.000 331 HG3 MET 43 HG1 MET 43 9.235 -2.535 6.911 332 HE1 MET 43 HE1 MET 43 7.652 -0.420 6.715 333 HE2 MET 43 HE2 MET 43 6.150 -0.232 7.619 334 HE3 MET 43 HE3 MET 43 6.279 -1.472 6.372 335 H GLY 44 HN GLY 44 10.828 -5.993 5.339 336 HA2 GLY 44 HA2 GLY 44 10.167 -8.137 7.176 337 HA3 GLY 44 HA1 GLY 44 11.638 -7.991 6.225 338 H SER 45 HN SER 45 13.433 -7.043 7.119 339 HA SER 45 HA SER 45 13.287 -6.725 10.023 340 HG SER 45 HG SER 45 15.503 -9.113 8.430 341 HB2 SER 45 HB2 SER 45 15.721 -7.016 8.247 342 HB3 SER 45 HB1 SER 45 15.683 -7.121 10.006 343 H THR 46 HN THR 46 12.419 -4.580 8.228 344 HA THR 46 HA THR 46 14.243 -2.498 9.217 345 HB THR 46 HB THR 46 12.859 -2.156 6.571 346 HG1 THR 46 HG1 THR 46 15.478 -3.252 6.920 347 HG21 THR 46 HG21 THR 46 14.716 -0.598 6.173 348 HG22 THR 46 HG22 THR 46 15.392 -1.006 7.750 349 HG23 THR 46 HG23 THR 46 13.833 -0.188 7.644 350 H ASP 47 HN ASP 47 13.207 -0.577 9.851 351 HA ASP 47 HA ASP 47 10.451 -0.826 10.587 352 HB2 ASP 47 HB2 ASP 47 12.112 1.703 10.643 353 HB3 ASP 47 HB1 ASP 47 10.681 1.346 11.601 354 H GLU 48 HN GLU 48 12.082 0.257 7.813 355 HA GLU 48 HA GLU 48 9.613 1.401 6.728 356 HB2 GLU 48 HB2 GLU 48 10.961 3.176 5.616 357 HB3 GLU 48 HB1 GLU 48 10.937 3.311 7.371 358 HG2 GLU 48 HG2 GLU 48 13.142 2.393 7.531 359 HG3 GLU 48 HG1 GLU 48 13.165 2.028 5.807 360 H LYS 49 HN LYS 49 9.485 1.375 4.433 361 HA LYS 49 HA LYS 49 11.586 0.117 2.884 362 HB2 LYS 49 HB2 LYS 49 8.985 -1.221 3.475 363 HB3 LYS 49 HB1 LYS 49 9.633 -1.367 1.845 364 HG2 LYS 49 HG2 LYS 49 11.218 -2.056 4.311 365 HG3 LYS 49 HG1 LYS 49 10.235 -3.226 3.425 366 HD2 LYS 49 HD2 LYS 49 11.602 -3.161 1.559 367 HD3 LYS 49 HD1 LYS 49 12.244 -1.568 1.964 368 HE2 LYS 49 HE2 LYS 49 12.804 -4.028 3.601 369 HE3 LYS 49 HE1 LYS 49 13.828 -3.518 2.262 370 HZ1 LYS 49 HZ1 LYS 49 13.171 -1.690 4.490 371 HZ2 LYS 49 HZ2 LYS 49 14.441 -1.574 3.373 372 HZ3 LYS 49 HZ3 LYS 49 14.479 -2.763 4.582 373 H ILE 50 HN ILE 50 11.535 0.743 0.734 374 HA ILE 50 HA ILE 50 9.338 2.576 0.026 375 HB ILE 50 HB ILE 50 11.357 3.819 0.782 376 HG12 ILE 50 HG12 ILE 50 10.738 4.141 -2.164 377 HG13 ILE 50 HG11 ILE 50 9.796 4.827 -0.846 378 HG21 ILE 50 HG21 ILE 50 13.066 2.247 0.057 379 HG22 ILE 50 HG22 ILE 50 13.360 3.842 -0.638 380 HG23 ILE 50 HG23 ILE 50 12.661 2.562 -1.631 381 HD11 ILE 50 HD11 ILE 50 11.699 6.191 -0.189 382 HD12 ILE 50 HD12 ILE 50 11.245 6.483 -1.870 383 HD13 ILE 50 HD13 ILE 50 12.654 5.491 -1.495 384 H CYS 51 HN CYS 51 8.811 2.747 -2.147 385 HA CYS 51 HA CYS 51 9.853 0.686 -3.937 386 HB2 CYS 51 HB2 CYS 51 7.426 0.929 -3.852 387 HB3 CYS 51 HB1 CYS 51 7.548 2.644 -4.201 388 HA PRO 52 HA PRO 52 12.849 3.850 -5.017 389 HB2 PRO 52 HB2 PRO 52 13.662 1.838 -7.031 390 HB3 PRO 52 HB1 PRO 52 14.620 2.622 -5.771 391 HG2 PRO 52 HG2 PRO 52 13.890 0.068 -5.537 392 HG3 PRO 52 HG1 PRO 52 13.917 1.147 -4.128 393 HD2 PRO 52 HD2 PRO 52 11.579 0.208 -5.753 394 HD3 PRO 52 HD1 PRO 52 11.727 0.397 -3.991 395 H TYR 53 HN TYR 53 10.517 2.426 -7.104 396 HA TYR 53 HA TYR 53 11.258 4.060 -9.385 397 HD1 TYR 53 HD2 TYR 53 11.807 2.615 -11.411 398 HD2 TYR 53 HD1 TYR 53 9.951 -0.010 -8.619 399 HE1 TYR 53 HE2 TYR 53 13.382 0.835 -12.045 400 HE2 TYR 53 HE1 TYR 53 11.524 -1.797 -9.246 401 HH TYR 53 HH TYR 53 12.924 -2.416 -11.161 402 HB2 TYR 53 HB2 TYR 53 9.016 2.074 -8.992 403 HB3 TYR 53 HB1 TYR 53 9.361 2.909 -10.502 404 H CYS 54 HN CYS 54 9.985 5.060 -6.712 405 HA CYS 54 HA CYS 54 8.384 7.063 -8.024 406 HB2 CYS 54 HB2 CYS 54 6.401 6.741 -6.544 407 HB3 CYS 54 HB1 CYS 54 6.645 5.436 -7.700 408 H SER 55 HN SER 55 9.682 5.750 -5.028 409 HA SER 55 HA SER 55 10.326 6.679 -3.071 410 HG SER 55 HG SER 55 11.804 8.104 -5.416 411 HB2 SER 55 HB2 SER 55 10.145 9.305 -4.573 412 HB3 SER 55 HB1 SER 55 10.818 9.108 -2.954 413 H THR 56 HN THR 56 8.734 6.195 -1.736 414 HA THR 56 HA THR 56 6.577 7.954 -1.172 415 HB THR 56 HB THR 56 5.877 5.186 -2.197 416 HG1 THR 56 HG1 THR 56 5.708 7.670 -3.609 417 HG21 THR 56 HG21 THR 56 4.194 7.647 -1.741 418 HG22 THR 56 HG22 THR 56 4.277 6.249 -0.669 419 HG23 THR 56 HG23 THR 56 3.611 6.079 -2.294 420 H LEU 57 HN LEU 57 8.663 7.262 0.265 421 HA LEU 57 HA LEU 57 9.193 4.813 1.258 422 HG LEU 57 HG LEU 57 10.938 4.796 2.961 423 HB2 LEU 57 HB2 LEU 57 10.432 6.979 1.622 424 HB3 LEU 57 HB1 LEU 57 9.317 7.320 2.927 425 HD11 LEU 57 HD11 LEU 57 12.660 5.998 4.228 426 HD12 LEU 57 HD12 LEU 57 11.833 7.519 3.893 427 HD13 LEU 57 HD13 LEU 57 12.534 6.587 2.570 428 HD21 LEU 57 HD21 LEU 57 9.860 6.580 5.143 429 HD22 LEU 57 HD22 LEU 57 10.707 5.050 5.371 430 HD23 LEU 57 HD23 LEU 57 9.121 5.075 4.597 431 H TYR 58 HN TYR 58 8.072 3.348 2.255 432 HA TYR 58 HA TYR 58 5.688 4.089 3.745 433 HD1 TYR 58 HD1 TYR 58 3.477 3.040 2.372 434 HD2 TYR 58 HD2 TYR 58 7.075 1.633 0.604 435 HE1 TYR 58 HE1 TYR 58 2.527 3.436 0.140 436 HE2 TYR 58 HE2 TYR 58 6.134 2.021 -1.636 437 HH TYR 58 HH TYR 58 3.272 3.816 -2.128 438 HB2 TYR 58 HB2 TYR 58 6.720 1.364 2.928 439 HB3 TYR 58 HB1 TYR 58 5.149 1.696 3.654 440 H ARG 59 HN ARG 59 5.869 4.444 5.815 441 HA ARG 59 HA ARG 59 7.934 2.975 7.327 442 HE ARG 59 HE ARG 59 10.306 6.080 11.044 443 HB2 ARG 59 HB2 ARG 59 8.435 5.380 7.064 444 HB3 ARG 59 HB1 ARG 59 6.902 5.771 7.830 445 HG2 ARG 59 HG2 ARG 59 7.682 4.610 9.874 446 HG3 ARG 59 HG1 ARG 59 9.248 4.378 9.096 447 HD2 ARG 59 HD2 ARG 59 9.545 6.774 8.911 448 HD3 ARG 59 HD1 ARG 59 7.941 7.049 9.587 449 HH11 ARG 59 HH11 ARG 59 6.982 7.200 11.039 450 HH12 ARG 59 HH12 ARG 59 6.938 7.482 12.758 451 HH21 ARG 59 HH21 ARG 59 10.273 6.501 13.286 452 HH22 ARG 59 HH22 ARG 59 8.825 7.125 14.029 453 H TYR 60 HN TYR 60 7.382 2.072 9.250 454 HA TYR 60 HA TYR 60 4.538 1.985 9.893 455 HD1 TYR 60 HD1 TYR 60 3.319 -0.465 10.336 456 HD2 TYR 60 HD2 TYR 60 6.356 0.058 13.269 457 HE1 TYR 60 HE1 TYR 60 1.836 -1.438 12.039 458 HE2 TYR 60 HE2 TYR 60 4.882 -0.912 14.980 459 HH TYR 60 HH TYR 60 2.044 -2.593 14.224 460 HB2 TYR 60 HB2 TYR 60 5.760 -0.145 9.738 461 HB3 TYR 60 HB1 TYR 60 6.869 0.391 10.995 462 H ASP 61 HN ASP 61 3.793 3.460 11.267 463 HA ASP 61 HA ASP 61 5.542 4.313 13.483 464 HB2 ASP 61 HB2 ASP 61 4.927 6.105 11.812 465 HB3 ASP 61 HB1 ASP 61 3.248 5.893 12.296 466 HA PRO 62 HA PRO 62 2.651 2.178 16.038 467 HB2 PRO 62 HB2 PRO 62 3.341 3.299 18.431 468 HB3 PRO 62 HB1 PRO 62 4.287 2.044 17.624 469 HG2 PRO 62 HG2 PRO 62 4.706 5.005 17.658 470 HG3 PRO 62 HG1 PRO 62 5.901 3.703 17.808 471 HD2 PRO 62 HD2 PRO 62 5.522 5.039 15.499 472 HD3 PRO 62 HD1 PRO 62 5.953 3.318 15.530 473 H SER 63 HN SER 63 2.500 5.531 15.465 474 HA SER 63 HA SER 63 0.285 6.049 17.250 475 HG SER 63 HG SER 63 2.985 7.512 16.050 476 HB2 SER 63 HB2 SER 63 1.130 7.734 14.886 477 HB3 SER 63 HB1 SER 63 0.261 8.251 16.332 478 H LEU 64 HN LEU 64 0.659 4.494 14.300 479 HA LEU 64 HA LEU 64 -1.980 5.203 13.286 480 HG LEU 64 HG LEU 64 0.823 5.787 12.066 481 HB2 LEU 64 HB2 LEU 64 0.163 3.408 12.143 482 HB3 LEU 64 HB1 LEU 64 -1.343 3.812 11.343 483 HD11 LEU 64 HD11 LEU 64 1.216 5.893 9.654 484 HD12 LEU 64 HD12 LEU 64 0.040 4.601 9.408 485 HD13 LEU 64 HD13 LEU 64 1.530 4.281 10.297 486 HD21 LEU 64 HD21 LEU 64 -0.464 7.341 10.682 487 HD22 LEU 64 HD22 LEU 64 -1.391 6.792 12.078 488 HD23 LEU 64 HD23 LEU 64 -1.719 6.119 10.480 489 H SER 65 HN SER 65 -2.681 2.833 12.045 490 HA SER 65 HA SER 65 -2.894 0.803 14.116 491 HG SER 65 HG SER 65 -6.511 0.715 14.078 492 HB2 SER 65 HB2 SER 65 -4.801 2.317 14.531 493 HB3 SER 65 HB1 SER 65 -5.321 2.116 12.860 494 H TYR 66 HN TYR 66 -4.121 -1.160 13.177 495 HA TYR 66 HA TYR 66 -2.740 -1.771 10.721 496 HD1 TYR 66 HD2 TYR 66 -2.728 -2.665 14.398 497 HD2 TYR 66 HD1 TYR 66 -1.481 -4.674 10.863 498 HE1 TYR 66 HE2 TYR 66 -0.546 -3.128 15.438 499 HE2 TYR 66 HE1 TYR 66 0.703 -5.141 11.890 500 HH TYR 66 HH TYR 66 1.299 -4.840 15.174 501 HB2 TYR 66 HB2 TYR 66 -4.352 -3.412 12.662 502 HB3 TYR 66 HB1 TYR 66 -3.764 -4.086 11.145 503 H ASN 67 HN ASN 67 -5.600 -0.302 11.214 504 HA ASN 67 HA ASN 67 -6.697 -1.424 8.717 505 HB2 ASN 67 HB2 ASN 67 -8.230 -0.091 10.967 506 HB3 ASN 67 HB1 ASN 67 -8.925 -0.694 9.468 507 HD21 ASN 67 HD21 ASN 67 -9.084 -2.933 9.140 508 HD22 ASN 67 HD22 ASN 67 -8.964 -4.051 10.455 509 H GLN 68 HN GLN 68 -4.905 0.974 9.768 510 HA GLN 68 HA GLN 68 -6.124 2.974 7.986 511 HB2 GLN 68 HB2 GLN 68 -4.848 3.354 10.683 512 HB3 GLN 68 HB1 GLN 68 -4.842 4.655 9.505 513 HG2 GLN 68 HG2 GLN 68 -6.668 5.020 10.964 514 HG3 GLN 68 HG1 GLN 68 -7.329 4.495 9.419 515 HE21 GLN 68 HE21 GLN 68 -9.255 3.852 10.389 516 HE22 GLN 68 HE22 GLN 68 -9.363 2.420 11.358 517 H THR 69 HN THR 69 -4.286 4.743 7.584 518 HA THR 69 HA THR 69 -1.664 3.635 7.238 519 HB THR 69 HB THR 69 -2.604 2.570 5.331 520 HG1 THR 69 HG1 THR 69 -0.654 4.180 5.070 521 HG21 THR 69 HG21 THR 69 -3.865 5.226 4.658 522 HG22 THR 69 HG22 THR 69 -4.688 3.741 5.130 523 HG23 THR 69 HG23 THR 69 -3.850 3.828 3.580 524 H ASN 70 HN ASN 70 -2.156 5.838 4.774 525 HA ASN 70 HA ASN 70 -1.157 7.994 6.474 526 HB2 ASN 70 HB2 ASN 70 -0.137 8.929 4.566 527 HB3 ASN 70 HB1 ASN 70 0.089 7.197 4.368 528 HD21 ASN 70 HD21 ASN 70 -1.093 6.105 2.765 529 HD22 ASN 70 HD22 ASN 70 -1.859 6.957 1.468 530 HA PRO 71 HA PRO 71 -4.894 10.252 6.214 531 HB2 PRO 71 HB2 PRO 71 -3.968 12.806 6.295 532 HB3 PRO 71 HB1 PRO 71 -3.964 11.727 7.695 533 HG2 PRO 71 HG2 PRO 71 -1.730 12.440 5.842 534 HG3 PRO 71 HG1 PRO 71 -1.706 12.251 7.603 535 HD2 PRO 71 HD2 PRO 71 -0.819 10.336 5.887 536 HD3 PRO 71 HD1 PRO 71 -1.517 9.963 7.477 537 H THR 72 HN THR 72 -6.229 10.661 4.607 538 HA THR 72 HA THR 72 -7.182 11.657 2.811 539 HB THR 72 HB THR 72 -4.572 13.104 2.344 540 HG1 THR 72 HG1 THR 72 -5.173 14.509 3.834 541 HG21 THR 72 HG21 THR 72 -5.986 14.732 1.179 542 HG22 THR 72 HG22 THR 72 -7.399 13.717 1.473 543 HG23 THR 72 HG23 THR 72 -6.096 13.138 0.434 544 H GLY 73 HN GLY 73 -3.757 10.959 1.969 545 HA2 GLY 73 HA2 GLY 73 -4.551 10.255 -0.724 546 HA3 GLY 73 HA1 GLY 73 -2.919 10.255 -0.079 547 H CYS 74 HN CYS 74 -5.929 8.491 0.663 548 HA CYS 74 HA CYS 74 -4.622 5.996 -0.057 549 HG CYS 74 HG CYS 74 -5.227 7.541 4.078 550 HB2 CYS 74 HB2 CYS 74 -5.178 4.952 2.124 551 HB3 CYS 74 HB1 CYS 74 -3.980 6.236 2.269 552 H LEU 75 HN LEU 75 -6.108 4.178 -0.035 553 HA LEU 75 HA LEU 75 -8.042 3.065 -0.255 554 HG LEU 75 HG LEU 75 -7.688 4.448 2.338 555 HB2 LEU 75 HB2 LEU 75 -9.406 5.556 0.748 556 HB3 LEU 75 HB1 LEU 75 -10.113 3.955 0.645 557 HD11 LEU 75 HD11 LEU 75 -9.167 4.866 4.227 558 HD12 LEU 75 HD12 LEU 75 -10.564 4.829 3.150 559 HD13 LEU 75 HD13 LEU 75 -9.352 6.101 2.981 560 HD21 LEU 75 HD21 LEU 75 -8.567 2.537 3.578 561 HD22 LEU 75 HD22 LEU 75 -8.329 2.136 1.876 562 HD23 LEU 75 HD23 LEU 75 -9.951 2.459 2.488 563 H TYR 76 HN TYR 76 -8.246 2.720 -2.368 564 HA TYR 76 HA TYR 76 -9.636 4.774 -3.951 565 HD1 TYR 76 HD2 TYR 76 -9.193 5.815 -6.229 566 HD2 TYR 76 HD1 TYR 76 -8.086 1.767 -6.898 567 HE1 TYR 76 HE2 TYR 76 -9.953 5.997 -8.563 568 HE2 TYR 76 HE1 TYR 76 -8.836 1.934 -9.229 569 HH TYR 76 HH TYR 76 -10.284 3.244 -10.613 570 HB2 TYR 76 HB2 TYR 76 -7.386 4.432 -4.799 571 HB3 TYR 76 HB1 TYR 76 -7.633 2.693 -4.859 572 H ASN 77 HN ASN 77 -11.697 4.141 -3.669 573 HA ASN 77 HA ASN 77 -12.404 1.446 -4.613 574 HB2 ASN 77 HB2 ASN 77 -13.616 3.097 -2.396 575 HB3 ASN 77 HB1 ASN 77 -14.505 1.787 -3.165 576 HD21 ASN 77 HD21 ASN 77 -13.497 2.130 -0.399 577 HD22 ASN 77 HD22 ASN 77 -12.541 0.724 -0.087 578 HA PRO 78 HA PRO 78 -14.342 3.856 -7.794 579 HB2 PRO 78 HB2 PRO 78 -15.473 1.326 -8.733 580 HB3 PRO 78 HB1 PRO 78 -14.279 2.373 -9.505 581 HG2 PRO 78 HG2 PRO 78 -13.631 -0.043 -8.492 582 HG3 PRO 78 HG1 PRO 78 -12.502 1.324 -8.484 583 HD2 PRO 78 HD2 PRO 78 -14.212 0.269 -6.256 584 HD3 PRO 78 HD1 PRO 78 -12.516 0.801 -6.221 585 H LYS 79 HN LYS 79 -15.929 2.181 -5.351 586 HA LYS 79 HA LYS 79 -18.571 3.021 -6.328 587 HB2 LYS 79 HB2 LYS 79 -18.325 0.613 -5.749 588 HB3 LYS 79 HB1 LYS 79 -17.913 1.077 -4.103 589 HG2 LYS 79 HG2 LYS 79 -20.124 2.083 -3.831 590 HG3 LYS 79 HG1 LYS 79 -20.533 1.623 -5.485 591 HD2 LYS 79 HD2 LYS 79 -20.214 -0.741 -4.886 592 HD3 LYS 79 HD1 LYS 79 -19.853 -0.259 -3.227 593 HE2 LYS 79 HE2 LYS 79 -22.092 0.738 -3.047 594 HE3 LYS 79 HE1 LYS 79 -22.447 0.218 -4.693 595 HZ1 LYS 79 HZ1 LYS 79 -21.865 -1.556 -2.381 596 HZ2 LYS 79 HZ2 LYS 79 -22.129 -2.087 -3.969 597 HZ3 LYS 79 HZ3 LYS 79 -23.378 -1.321 -3.110 598 H LEU 80 HN LEU 80 -18.906 5.063 -5.657 599 HA LEU 80 HA LEU 80 -18.308 5.690 -2.842 600 HG LEU 80 HG LEU 80 -15.998 6.063 -4.010 601 HB2 LEU 80 HB2 LEU 80 -18.253 7.670 -5.121 602 HB3 LEU 80 HB1 LEU 80 -17.776 7.958 -3.462 603 HD11 LEU 80 HD11 LEU 80 -16.552 7.291 -6.706 604 HD12 LEU 80 HD12 LEU 80 -16.831 5.611 -6.249 605 HD13 LEU 80 HD13 LEU 80 -15.187 6.247 -6.303 606 HD21 LEU 80 HD21 LEU 80 -15.744 8.926 -4.913 607 HD22 LEU 80 HD22 LEU 80 -14.408 7.824 -4.578 608 HD23 LEU 80 HD23 LEU 80 -15.486 8.325 -3.276 609 H GLU 81 HN GLU 81 -19.717 7.288 -1.862 610 HA GLU 81 HA GLU 81 -22.440 7.081 -2.827 611 HB2 GLU 81 HB2 GLU 81 -21.276 7.314 -0.294 612 HB3 GLU 81 HB1 GLU 81 -22.074 8.860 -0.560 613 HG2 GLU 81 HG2 GLU 81 -23.304 6.119 -0.586 614 HG3 GLU 81 HG1 GLU 81 -23.620 7.441 0.536 615 H HIS 82 HN HIS 82 -23.790 9.021 -3.062 616 HA HIS 82 HA HIS 82 -22.202 11.195 -4.275 617 HD1 HIS 82 HD1 HIS 82 -24.037 7.674 -5.888 618 HD2 HIS 82 HD2 HIS 82 -21.443 10.620 -7.279 619 HE1 HIS 82 HE1 HIS 82 -22.421 6.495 -7.416 620 HE2 HIS 82 HE2 HIS 82 -20.870 8.290 -8.262 621 HB2 HIS 82 HB2 HIS 82 -24.791 10.013 -5.302 622 HB3 HIS 82 HB1 HIS 82 -23.925 11.362 -6.028 623 H HIS 83 HN HIS 83 -24.878 10.329 -2.253 624 HA HIS 83 HA HIS 83 -25.665 13.175 -2.131 625 HD1 HIS 83 HD1 HIS 83 -28.196 14.076 -3.464 626 HD2 HIS 83 HD2 HIS 83 -29.169 12.175 0.109 627 HE1 HIS 83 HE1 HIS 83 -30.023 15.457 -2.433 628 HE2 HIS 83 HE2 HIS 83 -30.743 14.166 -0.393 629 HB2 HIS 83 HB2 HIS 83 -27.328 11.598 -3.230 630 HB3 HIS 83 HB1 HIS 83 -27.518 10.835 -1.657 631 H HIS 84 HN HIS 84 -24.589 10.424 -0.476 632 HA HIS 84 HA HIS 84 -24.221 9.856 1.667 633 HD1 HIS 84 HD1 HIS 84 -24.997 13.194 4.115 634 HD2 HIS 84 HD2 HIS 84 -23.107 14.365 0.601 635 HE1 HIS 84 HE1 HIS 84 -25.326 15.680 3.967 636 HE2 HIS 84 HE2 HIS 84 -24.246 16.362 1.795 637 HB2 HIS 84 HB2 HIS 84 -23.199 11.476 3.101 638 HB3 HIS 84 HB1 HIS 84 -22.682 11.794 1.458 639 H HIS 85 HN HIS 85 -26.968 10.191 0.960 640 HA HIS 85 HA HIS 85 -28.420 11.429 3.067 641 HD1 HIS 85 HD1 HIS 85 -31.196 8.019 1.849 642 HD2 HIS 85 HD2 HIS 85 -31.267 11.959 3.171 643 HE1 HIS 85 HE1 HIS 85 -33.391 8.294 3.051 644 HE2 HIS 85 HE2 HIS 85 -33.493 10.741 3.656 645 HB2 HIS 85 HB2 HIS 85 -29.482 10.978 0.927 646 HB3 HIS 85 HB1 HIS 85 -29.209 9.251 1.115 647 H HIS 86 HN HIS 86 -27.201 8.188 2.486 648 HA HIS 86 HA HIS 86 -28.177 7.090 4.940 649 HD1 HIS 86 HD1 HIS 86 -24.855 4.027 3.439 650 HD2 HIS 86 HD2 HIS 86 -27.650 4.937 6.376 651 HE1 HIS 86 HE1 HIS 86 -24.464 2.364 5.284 652 HE2 HIS 86 HE2 HIS 86 -26.030 3.064 7.132 653 HB2 HIS 86 HB2 HIS 86 -27.698 5.595 3.114 654 HB3 HIS 86 HB1 HIS 86 -26.046 6.184 2.993 655 H HIS 87 HN HIS 87 -27.521 7.817 6.831 656 HA HIS 87 HA HIS 87 -24.870 8.945 7.178 657 HD1 HIS 87 HD1 HIS 87 -24.772 11.475 8.995 658 HD2 HIS 87 HD2 HIS 87 -25.570 8.172 11.403 659 HE1 HIS 87 HE1 HIS 87 -23.443 11.829 11.102 660 HE2 HIS 87 HE2 HIS 87 -24.068 9.906 12.608 661 HB2 HIS 87 HB2 HIS 87 -26.799 10.046 8.230 662 HB3 HIS 87 HB1 HIS 87 -27.151 8.582 9.140 Start of MODEL 4 1 HA MET 1 HA MET 1 -9.728 -20.534 -3.067 2 H1 MET 1 HT1 MET 1 -8.139 -19.008 -5.045 3 H2 MET 1 HT2 MET 1 -9.826 -18.994 -4.890 4 H3 MET 1 HT3 MET 1 -9.032 -20.417 -5.362 5 HB2 MET 1 HB2 MET 1 -7.714 -21.745 -3.738 6 HB3 MET 1 HB1 MET 1 -6.736 -20.310 -3.465 7 HG2 MET 1 HG2 MET 1 -7.320 -20.396 -1.074 8 HG3 MET 1 HG1 MET 1 -8.227 -21.878 -1.374 9 HE1 MET 1 HE1 MET 1 -5.055 -23.140 0.562 10 HE2 MET 1 HE2 MET 1 -6.818 -23.056 0.547 11 HE3 MET 1 HE3 MET 1 -5.867 -21.593 0.804 12 H ALA 2 HN ALA 2 -7.287 -17.974 -3.571 13 HA ALA 2 HA ALA 2 -8.507 -16.532 -1.310 14 HB1 ALA 2 HB1 ALA 2 -5.541 -16.761 -1.842 15 HB2 ALA 2 HB2 ALA 2 -6.425 -17.572 -0.546 16 HB3 ALA 2 HB3 ALA 2 -6.300 -15.813 -0.563 17 H ASP 3 HN ASP 3 -9.096 -14.527 -1.809 18 HA ASP 3 HA ASP 3 -7.982 -13.263 -4.217 19 HB2 ASP 3 HB2 ASP 3 -10.454 -13.329 -4.014 20 HB3 ASP 3 HB1 ASP 3 -10.345 -12.424 -2.508 21 H TYR 4 HN TYR 4 -6.170 -12.190 -3.798 22 HA TYR 4 HA TYR 4 -5.597 -11.241 -1.142 23 HD1 TYR 4 HD1 TYR 4 -3.183 -12.550 -0.437 24 HD2 TYR 4 HD2 TYR 4 -2.621 -8.940 -2.619 25 HE1 TYR 4 HE1 TYR 4 -1.486 -11.837 1.193 26 HE2 TYR 4 HE2 TYR 4 -0.922 -8.218 -0.994 27 HH TYR 4 HH TYR 4 0.476 -10.311 1.255 28 HB2 TYR 4 HB2 TYR 4 -3.939 -12.308 -2.803 29 HB3 TYR 4 HB1 TYR 4 -3.892 -10.725 -3.570 30 H ASN 5 HN ASN 5 -7.145 -9.642 -0.838 31 HA ASN 5 HA ASN 5 -6.758 -7.199 -2.429 32 HB2 ASN 5 HB2 ASN 5 -9.049 -8.123 -2.491 33 HB3 ASN 5 HB1 ASN 5 -9.136 -7.995 -0.738 34 HD21 ASN 5 HD21 ASN 5 -10.866 -6.593 -0.774 35 HD22 ASN 5 HD22 ASN 5 -10.724 -4.952 -1.286 36 H ILE 6 HN ILE 6 -5.208 -6.098 -1.380 37 HA ILE 6 HA ILE 6 -5.519 -5.660 1.505 38 HB ILE 6 HB ILE 6 -3.224 -4.677 1.395 39 HG12 ILE 6 HG12 ILE 6 -3.230 -5.804 -1.414 40 HG13 ILE 6 HG11 ILE 6 -3.239 -4.092 -1.007 41 HG21 ILE 6 HG21 ILE 6 -2.066 -6.835 1.183 42 HG22 ILE 6 HG22 ILE 6 -3.522 -7.525 0.463 43 HG23 ILE 6 HG23 ILE 6 -3.548 -6.953 2.131 44 HD11 ILE 6 HD11 ILE 6 -1.019 -4.857 -1.643 45 HD12 ILE 6 HD12 ILE 6 -1.046 -6.042 -0.337 46 HD13 ILE 6 HD13 ILE 6 -1.056 -4.319 0.038 47 HA PRO 7 HA PRO 7 -7.016 -1.556 1.095 48 HB2 PRO 7 HB2 PRO 7 -5.259 -0.209 2.796 49 HB3 PRO 7 HB1 PRO 7 -6.756 -1.006 3.279 50 HG2 PRO 7 HG2 PRO 7 -3.948 -1.992 3.441 51 HG3 PRO 7 HG1 PRO 7 -5.297 -2.248 4.563 52 HD2 PRO 7 HD2 PRO 7 -4.490 -4.174 2.879 53 HD3 PRO 7 HD1 PRO 7 -6.207 -3.950 3.276 54 H HIS 8 HN HIS 8 -6.719 -0.350 -0.635 55 HA HIS 8 HA HIS 8 -4.006 0.255 -1.553 56 HD1 HIS 8 HD1 HIS 8 -7.761 -1.304 -3.662 57 HD2 HIS 8 HD2 HIS 8 -3.637 -1.752 -3.457 58 HE1 HIS 8 HE1 HIS 8 -7.305 -3.666 -4.385 59 HE2 HIS 8 HE2 HIS 8 -4.827 -3.977 -4.038 60 HB2 HIS 8 HB2 HIS 8 -6.659 0.775 -2.931 61 HB3 HIS 8 HB1 HIS 8 -5.061 0.963 -3.644 62 H PHE 9 HN PHE 9 -3.306 2.423 -1.796 63 HA PHE 9 HA PHE 9 -4.834 4.243 -0.061 64 HD1 PHE 9 HD2 PHE 9 -4.410 3.266 2.008 65 HD2 PHE 9 HD1 PHE 9 -0.522 2.678 0.373 66 HE1 PHE 9 HE2 PHE 9 -4.047 1.383 3.549 67 HE2 PHE 9 HE1 PHE 9 -0.159 0.790 1.907 68 HZ PHE 9 HZ PHE 9 -1.919 0.142 3.500 69 HB2 PHE 9 HB2 PHE 9 -1.852 4.302 -0.528 70 HB3 PHE 9 HB1 PHE 9 -2.764 5.157 0.712 71 H GLN 10 HN GLN 10 -4.378 6.573 -0.418 72 HA GLN 10 HA GLN 10 -3.976 7.207 -3.261 73 HB2 GLN 10 HB2 GLN 10 -5.724 8.945 -3.068 74 HB3 GLN 10 HB1 GLN 10 -6.369 7.333 -2.779 75 HG2 GLN 10 HG2 GLN 10 -6.346 7.720 -0.383 76 HG3 GLN 10 HG1 GLN 10 -5.623 9.308 -0.632 77 HE21 GLN 10 HE21 GLN 10 -7.296 9.839 -2.990 78 HE22 GLN 10 HE22 GLN 10 -8.864 10.205 -2.369 79 H ASN 11 HN ASN 11 -3.059 9.308 -3.673 80 HA ASN 11 HA ASN 11 -1.435 10.207 -1.424 81 HB2 ASN 11 HB2 ASN 11 -0.091 11.402 -3.139 82 HB3 ASN 11 HB1 ASN 11 -0.191 9.671 -3.420 83 HD21 ASN 11 HD21 ASN 11 -0.802 12.789 -4.676 84 HD22 ASN 11 HD22 ASN 11 -1.500 12.295 -6.180 85 H ASP 12 HN ASP 12 -2.809 11.473 -0.222 86 HA ASP 12 HA ASP 12 -4.101 13.750 -1.494 87 HB2 ASP 12 HB2 ASP 12 -4.056 12.768 1.360 88 HB3 ASP 12 HB1 ASP 12 -4.796 14.297 0.895 89 H LEU 13 HN LEU 13 -1.979 13.450 1.341 90 HA LEU 13 HA LEU 13 -1.148 16.193 1.061 91 HG LEU 13 HG LEU 13 -1.141 12.984 2.800 92 HB2 LEU 13 HB2 LEU 13 0.272 15.620 3.081 93 HB3 LEU 13 HB1 LEU 13 -1.464 15.512 3.279 94 HD11 LEU 13 HD11 LEU 13 1.029 12.102 3.515 95 HD12 LEU 13 HD12 LEU 13 1.658 13.747 3.614 96 HD13 LEU 13 HD13 LEU 13 1.170 13.084 2.055 97 HD21 LEU 13 HD21 LEU 13 -1.835 13.914 4.943 98 HD22 LEU 13 HD22 LEU 13 -0.148 14.216 5.363 99 HD23 LEU 13 HD23 LEU 13 -0.725 12.562 5.163 100 H GLY 14 HN GLY 14 -0.141 13.308 -0.262 101 HA2 GLY 14 HA2 GLY 14 1.789 14.076 -1.905 102 HA3 GLY 14 HA1 GLY 14 2.682 13.996 -0.390 103 H TYR 15 HN TYR 15 3.710 12.381 -2.119 104 HA TYR 15 HA TYR 15 2.837 9.761 -1.179 105 HD1 TYR 15 HD1 TYR 15 1.914 12.087 -4.551 106 HD2 TYR 15 HD2 TYR 15 4.938 9.100 -4.788 107 HE1 TYR 15 HE1 TYR 15 2.850 13.199 -6.534 108 HE2 TYR 15 HE2 TYR 15 5.881 10.207 -6.771 109 HH TYR 15 HH TYR 15 4.941 13.348 -7.757 110 HB2 TYR 15 HB2 TYR 15 2.954 8.766 -3.415 111 HB3 TYR 15 HB1 TYR 15 1.704 9.998 -3.315 112 H LYS 16 HN LYS 16 5.311 11.900 -1.619 113 HA LYS 16 HA LYS 16 7.377 10.062 -2.339 114 HB2 LYS 16 HB2 LYS 16 7.479 12.787 -1.050 115 HB3 LYS 16 HB1 LYS 16 8.918 11.852 -1.439 116 HG2 LYS 16 HG2 LYS 16 8.043 11.766 -3.816 117 HG3 LYS 16 HG1 LYS 16 6.889 13.006 -3.323 118 HD2 LYS 16 HD2 LYS 16 8.687 14.504 -2.733 119 HD3 LYS 16 HD1 LYS 16 9.885 13.248 -3.060 120 HE2 LYS 16 HE2 LYS 16 9.011 13.199 -5.427 121 HE3 LYS 16 HE1 LYS 16 8.084 14.646 -5.030 122 HZ1 LYS 16 HZ1 LYS 16 10.210 15.140 -6.110 123 HZ2 LYS 16 HZ2 LYS 16 11.039 14.415 -4.823 124 HZ3 LYS 16 HZ3 LYS 16 10.121 15.815 -4.557 125 H ILE 17 HN ILE 17 5.851 11.014 0.630 126 HA ILE 17 HA ILE 17 7.259 8.821 1.962 127 HB ILE 17 HB ILE 17 6.854 11.547 3.230 128 HG12 ILE 17 HG12 ILE 17 9.399 10.066 2.514 129 HG13 ILE 17 HG11 ILE 17 8.768 11.482 1.681 130 HG21 ILE 17 HG21 ILE 17 6.474 9.769 4.831 131 HG22 ILE 17 HG22 ILE 17 8.003 10.579 5.179 132 HG23 ILE 17 HG23 ILE 17 7.998 9.006 4.382 133 HD11 ILE 17 HD11 ILE 17 9.111 12.835 3.652 134 HD12 ILE 17 HD12 ILE 17 10.608 12.014 3.208 135 HD13 ILE 17 HD13 ILE 17 9.645 11.420 4.559 136 H ILE 18 HN ILE 18 5.671 7.438 2.380 137 HA ILE 18 HA ILE 18 3.150 8.513 3.510 138 HB ILE 18 HB ILE 18 3.433 6.164 1.624 139 HG12 ILE 18 HG12 ILE 18 2.093 8.855 1.282 140 HG13 ILE 18 HG11 ILE 18 3.581 8.337 0.497 141 HG21 ILE 18 HG21 ILE 18 0.971 7.286 2.951 142 HG22 ILE 18 HG22 ILE 18 1.738 5.740 3.318 143 HG23 ILE 18 HG23 ILE 18 0.997 6.005 1.739 144 HD11 ILE 18 HD11 ILE 18 2.352 6.627 -0.721 145 HD12 ILE 18 HD12 ILE 18 1.675 8.229 -1.012 146 HD13 ILE 18 HD13 ILE 18 0.861 7.114 0.086 147 H GLU 19 HN GLU 19 2.561 7.699 5.407 148 HA GLU 19 HA GLU 19 4.129 5.526 6.545 149 HB2 GLU 19 HB2 GLU 19 2.035 7.314 7.801 150 HB3 GLU 19 HB1 GLU 19 3.048 6.160 8.664 151 HG2 GLU 19 HG2 GLU 19 5.044 7.423 7.927 152 HG3 GLU 19 HG1 GLU 19 3.975 8.616 7.199 153 H ILE 20 HN ILE 20 3.129 3.676 7.514 154 HA ILE 20 HA ILE 20 0.411 3.093 6.592 155 HB ILE 20 HB ILE 20 1.112 0.883 5.716 156 HG12 ILE 20 HG12 ILE 20 3.915 1.998 5.926 157 HG13 ILE 20 HG11 ILE 20 3.250 0.732 6.954 158 HG21 ILE 20 HG21 ILE 20 2.384 3.235 4.326 159 HG22 ILE 20 HG22 ILE 20 0.709 2.706 4.161 160 HG23 ILE 20 HG23 ILE 20 2.020 1.677 3.584 161 HD11 ILE 20 HD11 ILE 20 3.633 0.558 3.977 162 HD12 ILE 20 HD12 ILE 20 2.991 -0.712 5.019 163 HD13 ILE 20 HD13 ILE 20 4.662 -0.180 5.206 164 H GLY 21 HN GLY 21 -0.490 1.167 7.544 165 HA2 GLY 21 HA2 GLY 21 0.851 0.374 10.054 166 HA3 GLY 21 HA1 GLY 21 -0.899 0.490 9.873 167 H VAL 22 HN VAL 22 1.032 -0.760 7.301 168 HA VAL 22 HA VAL 22 0.078 -3.482 7.903 169 HB VAL 22 HB VAL 22 -0.052 -3.900 5.480 170 HG11 VAL 22 HG11 VAL 22 -2.047 -2.561 5.001 171 HG12 VAL 22 HG12 VAL 22 -1.657 -1.502 6.358 172 HG13 VAL 22 HG13 VAL 22 -2.064 -3.194 6.648 173 HG21 VAL 22 HG21 VAL 22 0.102 -2.068 3.875 174 HG22 VAL 22 HG22 VAL 22 1.624 -2.281 4.740 175 HG23 VAL 22 HG23 VAL 22 0.541 -0.959 5.174 176 H LYS 23 HN LYS 23 1.442 -5.218 7.071 177 HA LYS 23 HA LYS 23 4.274 -4.424 7.056 178 HB2 LYS 23 HB2 LYS 23 2.957 -7.037 7.797 179 HB3 LYS 23 HB1 LYS 23 4.699 -6.829 7.662 180 HG2 LYS 23 HG2 LYS 23 4.619 -5.120 9.418 181 HG3 LYS 23 HG1 LYS 23 2.879 -5.373 9.569 182 HD2 LYS 23 HD2 LYS 23 3.233 -7.665 10.254 183 HD3 LYS 23 HD1 LYS 23 4.973 -7.503 9.998 184 HE2 LYS 23 HE2 LYS 23 5.074 -5.806 11.749 185 HE3 LYS 23 HE1 LYS 23 3.335 -5.945 11.995 186 HZ1 LYS 23 HZ1 LYS 23 3.619 -8.207 12.715 187 HZ2 LYS 23 HZ2 LYS 23 4.629 -7.196 13.629 188 HZ3 LYS 23 HZ3 LYS 23 5.281 -8.149 12.392 189 H GLU 24 HN GLU 24 1.809 -6.088 5.269 190 HA GLU 24 HA GLU 24 3.738 -6.476 3.074 191 HB2 GLU 24 HB2 GLU 24 1.130 -7.920 3.593 192 HB3 GLU 24 HB1 GLU 24 2.136 -8.141 2.168 193 HG2 GLU 24 HG2 GLU 24 3.945 -8.982 3.572 194 HG3 GLU 24 HG1 GLU 24 2.940 -8.753 5.003 195 H PHE 25 HN PHE 25 3.470 -5.155 1.391 196 HA PHE 25 HA PHE 25 0.839 -4.038 0.828 197 HD1 PHE 25 HD2 PHE 25 3.614 -3.176 3.656 198 HD2 PHE 25 HD1 PHE 25 3.965 -1.235 -0.113 199 HE1 PHE 25 HE2 PHE 25 5.996 -2.767 4.095 200 HE2 PHE 25 HE1 PHE 25 6.351 -0.825 0.319 201 HZ PHE 25 HZ PHE 25 7.371 -1.591 2.424 202 HB2 PHE 25 HB2 PHE 25 1.810 -1.713 0.820 203 HB3 PHE 25 HB1 PHE 25 1.644 -2.439 2.415 204 H MET 26 HN MET 26 0.849 -2.730 -1.176 205 HA MET 26 HA MET 26 3.152 -3.177 -2.907 206 HB2 MET 26 HB2 MET 26 1.538 -5.024 -3.340 207 HB3 MET 26 HB1 MET 26 0.324 -3.822 -3.763 208 HG2 MET 26 HG2 MET 26 1.592 -3.094 -5.642 209 HG3 MET 26 HG1 MET 26 2.969 -4.082 -5.164 210 HE1 MET 26 HE1 MET 26 2.097 -6.036 -8.311 211 HE2 MET 26 HE2 MET 26 3.375 -5.402 -7.273 212 HE3 MET 26 HE3 MET 26 2.245 -4.297 -8.057 213 H CYS 27 HN CYS 27 3.680 -1.387 -3.940 214 HA CYS 27 HA CYS 27 2.126 0.979 -3.605 215 HB2 CYS 27 HB2 CYS 27 4.602 0.987 -3.693 216 HB3 CYS 27 HB1 CYS 27 4.527 0.505 -5.384 217 H VAL 28 HN VAL 28 0.817 2.008 -5.007 218 HA VAL 28 HA VAL 28 -0.247 0.391 -7.142 219 HB VAL 28 HB VAL 28 -1.978 2.164 -7.325 220 HG11 VAL 28 HG11 VAL 28 -1.483 1.131 -4.535 221 HG12 VAL 28 HG12 VAL 28 -2.309 0.270 -5.832 222 HG13 VAL 28 HG13 VAL 28 -3.025 1.731 -5.150 223 HG21 VAL 28 HG21 VAL 28 -2.045 3.940 -5.634 224 HG22 VAL 28 HG22 VAL 28 -0.625 4.084 -6.671 225 HG23 VAL 28 HG23 VAL 28 -0.465 3.429 -5.040 226 H GLY 29 HN GLY 29 -1.130 1.872 -9.043 227 HA2 GLY 29 HA2 GLY 29 0.189 3.973 -10.165 228 HA3 GLY 29 HA1 GLY 29 1.192 2.581 -10.564 229 H ALA 30 HN ALA 30 -0.157 4.146 -12.514 230 HA ALA 30 HA ALA 30 -2.396 2.422 -13.310 231 HB1 ALA 30 HB1 ALA 30 -1.625 5.139 -14.367 232 HB2 ALA 30 HB2 ALA 30 -2.878 4.821 -13.167 233 HB3 ALA 30 HB3 ALA 30 -3.060 4.214 -14.812 234 H THR 31 HN THR 31 0.177 4.235 -15.000 235 HA THR 31 HA THR 31 0.448 1.909 -16.784 236 HB THR 31 HB THR 31 0.892 4.819 -17.486 237 HG1 THR 31 HG1 THR 31 -1.287 4.500 -17.453 238 HG21 THR 31 HG21 THR 31 1.009 2.333 -19.203 239 HG22 THR 31 HG22 THR 31 2.380 3.343 -18.744 240 HG23 THR 31 HG23 THR 31 1.119 3.990 -19.793 241 H GLN 32 HN GLN 32 2.088 0.907 -15.721 242 HA GLN 32 HA GLN 32 4.711 2.147 -16.064 243 HB2 GLN 32 HB2 GLN 32 3.725 0.805 -13.536 244 HB3 GLN 32 HB1 GLN 32 5.426 1.089 -13.877 245 HG2 GLN 32 HG2 GLN 32 5.106 3.457 -13.859 246 HG3 GLN 32 HG1 GLN 32 3.357 3.269 -13.751 247 HE21 GLN 32 HE21 GLN 32 2.445 2.594 -11.813 248 HE22 GLN 32 HE22 GLN 32 3.290 2.710 -10.315 249 HA PRO 33 HA PRO 33 5.400 -1.720 -18.060 250 HB2 PRO 33 HB2 PRO 33 8.271 -1.329 -17.655 251 HB3 PRO 33 HB1 PRO 33 7.340 -1.306 -19.154 252 HG2 PRO 33 HG2 PRO 33 8.423 0.928 -18.104 253 HG3 PRO 33 HG1 PRO 33 6.892 0.945 -18.999 254 HD2 PRO 33 HD2 PRO 33 7.354 0.989 -16.038 255 HD3 PRO 33 HD1 PRO 33 6.202 1.928 -17.013 256 H PHE 34 HN PHE 34 4.585 -2.452 -15.711 257 HA PHE 34 HA PHE 34 6.499 -4.545 -14.954 258 HD1 PHE 34 HD1 PHE 34 8.337 -4.224 -12.731 259 HD2 PHE 34 HD2 PHE 34 5.980 -0.736 -13.357 260 HE1 PHE 34 HE1 PHE 34 10.335 -2.821 -12.419 261 HE2 PHE 34 HE2 PHE 34 7.974 0.673 -13.052 262 HZ PHE 34 HZ PHE 34 10.156 -0.372 -12.581 263 HB2 PHE 34 HB2 PHE 34 4.941 -2.848 -12.980 264 HB3 PHE 34 HB1 PHE 34 5.882 -4.275 -12.562 265 H ASP 35 HN ASP 35 3.732 -3.932 -16.346 266 HA ASP 35 HA ASP 35 1.765 -4.983 -16.742 267 HB2 ASP 35 HB2 ASP 35 3.014 -7.074 -16.774 268 HB3 ASP 35 HB1 ASP 35 2.917 -7.187 -15.019 269 H HIS 36 HN HIS 36 2.588 -5.680 -13.367 270 HA HIS 36 HA HIS 36 -0.082 -4.938 -12.494 271 HD1 HIS 36 HD1 HIS 36 3.710 -4.483 -10.739 272 HD2 HIS 36 HD2 HIS 36 2.716 -8.486 -11.287 273 HE1 HIS 36 HE1 HIS 36 5.884 -5.740 -10.666 274 HE2 HIS 36 HE2 HIS 36 5.250 -8.170 -10.851 275 HB2 HIS 36 HB2 HIS 36 1.030 -5.404 -10.174 276 HB3 HIS 36 HB1 HIS 36 0.661 -6.753 -11.239 277 HA PRO 37 HA PRO 37 -0.066 -0.732 -11.408 278 HB2 PRO 37 HB2 PRO 37 0.475 -1.630 -8.607 279 HB3 PRO 37 HB1 PRO 37 -0.642 -0.389 -9.185 280 HG2 PRO 37 HG2 PRO 37 -1.413 -2.933 -8.585 281 HG3 PRO 37 HG1 PRO 37 -2.236 -1.917 -9.778 282 HD2 PRO 37 HD2 PRO 37 -0.717 -4.339 -10.217 283 HD3 PRO 37 HD1 PRO 37 -1.631 -3.381 -11.397 284 H HIS 38 HN HIS 38 2.168 -1.877 -8.940 285 HA HIS 38 HA HIS 38 4.393 -0.876 -10.520 286 HD2 HIS 38 HD2 HIS 38 6.463 -0.209 -10.700 287 HE1 HIS 38 HE1 HIS 38 8.188 2.727 -8.179 288 HE2 HIS 38 HE2 HIS 38 8.389 1.468 -10.343 289 HB2 HIS 38 HB2 HIS 38 3.611 0.951 -8.879 290 HB3 HIS 38 HB1 HIS 38 4.261 -0.084 -7.612 291 H ILE 39 HN ILE 39 4.771 -1.551 -7.117 292 HA ILE 39 HA ILE 39 5.461 -4.314 -7.646 293 HB ILE 39 HB ILE 39 7.518 -2.961 -8.165 294 HG12 ILE 39 HG12 ILE 39 7.760 -4.868 -5.830 295 HG13 ILE 39 HG11 ILE 39 7.583 -5.352 -7.515 296 HG21 ILE 39 HG21 ILE 39 7.459 -2.426 -5.199 297 HG22 ILE 39 HG22 ILE 39 7.279 -1.232 -6.484 298 HG23 ILE 39 HG23 ILE 39 8.814 -2.078 -6.273 299 HD11 ILE 39 HD11 ILE 39 9.696 -4.267 -8.044 300 HD12 ILE 39 HD12 ILE 39 9.888 -5.497 -6.795 301 HD13 ILE 39 HD13 ILE 39 9.873 -3.789 -6.356 302 H PHE 40 HN PHE 40 5.789 -5.555 -5.684 303 HA PHE 40 HA PHE 40 4.440 -4.332 -3.386 304 HD1 PHE 40 HD2 PHE 40 4.497 -7.210 -6.277 305 HD2 PHE 40 HD1 PHE 40 5.436 -8.398 -2.298 306 HE1 PHE 40 HE2 PHE 40 5.628 -9.214 -7.146 307 HE2 PHE 40 HE1 PHE 40 6.566 -10.405 -3.162 308 HZ PHE 40 HZ PHE 40 6.663 -10.814 -5.587 309 HB2 PHE 40 HB2 PHE 40 3.927 -6.635 -2.671 310 HB3 PHE 40 HB1 PHE 40 3.292 -6.294 -4.274 311 H ILE 41 HN ILE 41 5.364 -4.292 -1.403 312 HA ILE 41 HA ILE 41 8.090 -5.384 -1.178 313 HB ILE 41 HB ILE 41 7.230 -2.697 -0.082 314 HG12 ILE 41 HG12 ILE 41 8.971 -3.269 -2.493 315 HG13 ILE 41 HG11 ILE 41 7.308 -2.698 -2.570 316 HG21 ILE 41 HG21 ILE 41 9.016 -3.757 1.186 317 HG22 ILE 41 HG22 ILE 41 9.636 -2.370 0.289 318 HG23 ILE 41 HG23 ILE 41 9.939 -4.005 -0.296 319 HD11 ILE 41 HD11 ILE 41 9.617 -1.214 -1.332 320 HD12 ILE 41 HD12 ILE 41 7.954 -0.637 -1.447 321 HD13 ILE 41 HD13 ILE 41 8.904 -0.889 -2.912 322 H ASP 42 HN ASP 42 8.696 -6.075 0.920 323 HA ASP 42 HA ASP 42 6.453 -6.280 2.828 324 HB2 ASP 42 HB2 ASP 42 7.276 -8.371 3.572 325 HB3 ASP 42 HB1 ASP 42 7.387 -8.440 1.817 326 H MET 43 HN MET 43 7.040 -6.270 5.100 327 HA MET 43 HA MET 43 9.497 -4.737 5.632 328 HB2 MET 43 HB2 MET 43 6.734 -4.471 6.775 329 HB3 MET 43 HB1 MET 43 8.139 -3.888 7.658 330 HG2 MET 43 HG2 MET 43 8.724 -2.457 5.762 331 HG3 MET 43 HG1 MET 43 7.296 -3.031 4.902 332 HE1 MET 43 HE1 MET 43 6.804 -0.378 4.589 333 HE2 MET 43 HE2 MET 43 8.177 0.029 5.618 334 HE3 MET 43 HE3 MET 43 6.591 0.725 5.948 335 H GLY 44 HN GLY 44 9.439 -7.553 5.631 336 HA2 GLY 44 HA2 GLY 44 9.127 -8.543 8.305 337 HA3 GLY 44 HA1 GLY 44 9.917 -9.369 6.971 338 H SER 45 HN SER 45 11.533 -6.687 6.808 339 HA SER 45 HA SER 45 13.516 -7.508 8.820 340 HG SER 45 HG SER 45 14.097 -8.789 6.734 341 HB2 SER 45 HB2 SER 45 14.088 -5.979 6.281 342 HB3 SER 45 HB1 SER 45 15.236 -6.824 7.321 343 H THR 46 HN THR 46 12.591 -4.590 6.968 344 HA THR 46 HA THR 46 13.243 -2.993 9.357 345 HB THR 46 HB THR 46 13.297 -1.877 6.563 346 HG1 THR 46 HG1 THR 46 15.365 -3.324 7.915 347 HG21 THR 46 HG21 THR 46 14.784 -1.179 9.099 348 HG22 THR 46 HG22 THR 46 13.393 -0.312 8.447 349 HG23 THR 46 HG23 THR 46 14.918 -0.330 7.559 350 H ASP 47 HN ASP 47 11.921 -1.128 9.762 351 HA ASP 47 HA ASP 47 9.148 -1.620 9.021 352 HB2 ASP 47 HB2 ASP 47 8.603 -0.080 10.846 353 HB3 ASP 47 HB1 ASP 47 9.720 -1.325 11.392 354 H GLU 48 HN GLU 48 11.639 0.346 7.918 355 HA GLU 48 HA GLU 48 9.661 2.090 6.621 356 HB2 GLU 48 HB2 GLU 48 12.403 2.930 7.577 357 HB3 GLU 48 HB1 GLU 48 11.315 3.927 6.624 358 HG2 GLU 48 HG2 GLU 48 9.665 3.782 8.480 359 HG3 GLU 48 HG1 GLU 48 10.888 2.945 9.436 360 H LYS 49 HN LYS 49 9.651 1.832 4.512 361 HA LYS 49 HA LYS 49 12.153 1.336 3.079 362 HB2 LYS 49 HB2 LYS 49 9.744 -0.462 3.047 363 HB3 LYS 49 HB1 LYS 49 10.824 -0.371 1.663 364 HG2 LYS 49 HG2 LYS 49 12.698 -1.023 3.151 365 HG3 LYS 49 HG1 LYS 49 11.527 -1.239 4.455 366 HD2 LYS 49 HD2 LYS 49 10.398 -2.964 3.256 367 HD3 LYS 49 HD1 LYS 49 11.335 -2.638 1.799 368 HE2 LYS 49 HE2 LYS 49 13.377 -3.337 3.019 369 HE3 LYS 49 HE1 LYS 49 12.362 -3.772 4.395 370 HZ1 LYS 49 HZ1 LYS 49 11.234 -5.390 3.051 371 HZ2 LYS 49 HZ2 LYS 49 12.902 -5.675 2.959 372 HZ3 LYS 49 HZ3 LYS 49 12.098 -4.923 1.670 373 H ILE 50 HN ILE 50 12.291 2.551 1.321 374 HA ILE 50 HA ILE 50 9.966 4.046 0.421 375 HB ILE 50 HB ILE 50 12.222 5.118 0.744 376 HG12 ILE 50 HG12 ILE 50 11.104 5.303 -2.060 377 HG13 ILE 50 HG11 ILE 50 10.445 6.134 -0.655 378 HG21 ILE 50 HG21 ILE 50 13.900 4.847 -1.015 379 HG22 ILE 50 HG22 ILE 50 12.915 3.585 -1.758 380 HG23 ILE 50 HG23 ILE 50 13.609 3.334 -0.153 381 HD11 ILE 50 HD11 ILE 50 12.570 7.347 -0.413 382 HD12 ILE 50 HD12 ILE 50 11.778 7.646 -1.961 383 HD13 ILE 50 HD13 ILE 50 13.160 6.555 -1.874 384 H CYS 51 HN CYS 51 9.285 4.117 -1.807 385 HA CYS 51 HA CYS 51 9.626 1.520 -3.120 386 HB2 CYS 51 HB2 CYS 51 7.329 2.228 -2.863 387 HB3 CYS 51 HB1 CYS 51 7.675 3.788 -3.594 388 HA PRO 52 HA PRO 52 12.709 3.303 -5.779 389 HB2 PRO 52 HB2 PRO 52 12.067 0.955 -7.469 390 HB3 PRO 52 HB1 PRO 52 13.617 1.468 -6.796 391 HG2 PRO 52 HG2 PRO 52 12.309 -0.639 -5.805 392 HG3 PRO 52 HG1 PRO 52 13.214 0.467 -4.754 393 HD2 PRO 52 HD2 PRO 52 10.266 0.277 -5.212 394 HD3 PRO 52 HD1 PRO 52 11.159 0.592 -3.709 395 H TYR 53 HN TYR 53 12.796 4.372 -7.722 396 HA TYR 53 HA TYR 53 12.222 5.202 -9.741 397 HD1 TYR 53 HD1 TYR 53 12.874 4.059 -11.829 398 HD2 TYR 53 HD2 TYR 53 10.844 1.055 -9.598 399 HE1 TYR 53 HE1 TYR 53 14.487 2.388 -12.626 400 HE2 TYR 53 HE2 TYR 53 12.455 -0.625 -10.389 401 HH TYR 53 HH TYR 53 15.375 0.176 -11.858 402 HB2 TYR 53 HB2 TYR 53 9.964 3.200 -9.660 403 HB3 TYR 53 HB1 TYR 53 10.349 4.213 -11.047 404 H CYS 54 HN CYS 54 10.038 5.365 -7.074 405 HA CYS 54 HA CYS 54 9.047 7.888 -8.120 406 HB2 CYS 54 HB2 CYS 54 6.672 7.292 -7.821 407 HB3 CYS 54 HB1 CYS 54 7.451 6.332 -9.073 408 H SER 55 HN SER 55 10.487 6.638 -5.665 409 HA SER 55 HA SER 55 10.650 7.058 -3.445 410 HG SER 55 HG SER 55 11.029 9.131 -4.966 411 HB2 SER 55 HB2 SER 55 8.705 9.287 -4.094 412 HB3 SER 55 HB1 SER 55 9.566 9.118 -2.564 413 H THR 56 HN THR 56 8.494 8.056 -1.729 414 HA THR 56 HA THR 56 6.529 7.455 -0.739 415 HB THR 56 HB THR 56 6.531 4.828 -2.248 416 HG1 THR 56 HG1 THR 56 5.527 7.375 -2.930 417 HG21 THR 56 HG21 THR 56 4.167 4.783 -1.572 418 HG22 THR 56 HG22 THR 56 4.395 6.299 -0.698 419 HG23 THR 56 HG23 THR 56 5.242 4.843 -0.174 420 H LEU 57 HN LEU 57 8.275 7.574 0.784 421 HA LEU 57 HA LEU 57 9.525 5.190 1.729 422 HG LEU 57 HG LEU 57 11.268 5.627 3.380 423 HB2 LEU 57 HB2 LEU 57 10.334 7.600 2.016 424 HB3 LEU 57 HB1 LEU 57 9.129 7.746 3.277 425 HD11 LEU 57 HD11 LEU 57 12.583 7.127 4.772 426 HD12 LEU 57 HD12 LEU 57 11.411 8.419 4.510 427 HD13 LEU 57 HD13 LEU 57 12.362 7.805 3.158 428 HD21 LEU 57 HD21 LEU 57 10.833 5.723 5.781 429 HD22 LEU 57 HD22 LEU 57 9.362 5.344 4.884 430 HD23 LEU 57 HD23 LEU 57 9.614 6.972 5.517 431 H TYR 58 HN TYR 58 8.117 3.638 2.271 432 HA TYR 58 HA TYR 58 5.724 4.150 3.756 433 HD1 TYR 58 HD2 TYR 58 3.609 2.558 2.790 434 HD2 TYR 58 HD1 TYR 58 7.216 1.788 0.673 435 HE1 TYR 58 HE2 TYR 58 2.361 2.566 0.674 436 HE2 TYR 58 HE1 TYR 58 5.976 1.795 -1.450 437 HH TYR 58 HH TYR 58 2.809 2.947 -1.713 438 HB2 TYR 58 HB2 TYR 58 7.164 1.592 3.037 439 HB3 TYR 58 HB1 TYR 58 5.645 1.633 3.920 440 H ARG 59 HN ARG 59 5.605 4.454 5.860 441 HA ARG 59 HA ARG 59 7.738 3.336 7.567 442 HE ARG 59 HE ARG 59 9.176 7.101 9.205 443 HB2 ARG 59 HB2 ARG 59 7.787 5.765 7.566 444 HB3 ARG 59 HB1 ARG 59 6.074 5.828 7.953 445 HG2 ARG 59 HG2 ARG 59 6.579 4.689 10.103 446 HG3 ARG 59 HG1 ARG 59 8.295 4.824 9.716 447 HD2 ARG 59 HD2 ARG 59 6.357 7.116 10.005 448 HD3 ARG 59 HD1 ARG 59 7.563 6.631 11.196 449 HH11 ARG 59 HH11 ARG 59 6.259 8.885 10.008 450 HH12 ARG 59 HH12 ARG 59 6.875 10.402 9.417 451 HH21 ARG 59 HH21 ARG 59 9.982 9.100 8.425 452 HH22 ARG 59 HH22 ARG 59 8.988 10.530 8.528 453 H TYR 60 HN TYR 60 6.988 1.568 8.554 454 HA TYR 60 HA TYR 60 4.188 1.289 9.222 455 HD1 TYR 60 HD1 TYR 60 2.909 -0.899 9.229 456 HD2 TYR 60 HD2 TYR 60 6.237 -1.774 11.729 457 HE1 TYR 60 HE1 TYR 60 1.485 -2.348 10.608 458 HE2 TYR 60 HE2 TYR 60 4.818 -3.225 13.120 459 HH TYR 60 HH TYR 60 1.616 -4.123 12.149 460 HB2 TYR 60 HB2 TYR 60 5.452 -0.676 8.497 461 HB3 TYR 60 HB1 TYR 60 6.571 -0.475 9.840 462 H ASP 61 HN ASP 61 3.474 2.499 10.865 463 HA ASP 61 HA ASP 61 5.202 2.801 13.226 464 HB2 ASP 61 HB2 ASP 61 4.278 4.857 12.037 465 HB3 ASP 61 HB1 ASP 61 2.693 4.371 12.631 466 HA PRO 62 HA PRO 62 2.701 -0.210 15.310 467 HB2 PRO 62 HB2 PRO 62 3.715 1.113 17.755 468 HB3 PRO 62 HB1 PRO 62 3.845 -0.575 17.251 469 HG2 PRO 62 HG2 PRO 62 5.959 1.045 17.159 470 HG3 PRO 62 HG1 PRO 62 5.676 -0.168 15.895 471 HD2 PRO 62 HD2 PRO 62 5.174 2.785 15.839 472 HD3 PRO 62 HD1 PRO 62 5.836 1.729 14.573 473 H SER 63 HN SER 63 2.336 3.218 15.745 474 HA SER 63 HA SER 63 0.015 2.887 17.480 475 HG SER 63 HG SER 63 2.118 5.279 15.717 476 HB2 SER 63 HB2 SER 63 -0.080 5.328 17.528 477 HB3 SER 63 HB1 SER 63 1.564 4.784 17.863 478 H LEU 64 HN LEU 64 0.634 2.686 14.242 479 HA LEU 64 HA LEU 64 -1.923 3.787 13.380 480 HG LEU 64 HG LEU 64 0.870 4.795 12.715 481 HB2 LEU 64 HB2 LEU 64 0.336 2.527 11.819 482 HB3 LEU 64 HB1 LEU 64 -1.123 3.193 11.107 483 HD11 LEU 64 HD11 LEU 64 1.574 5.735 10.591 484 HD12 LEU 64 HD12 LEU 64 0.468 4.662 9.733 485 HD13 LEU 64 HD13 LEU 64 1.840 3.992 10.616 486 HD21 LEU 64 HD21 LEU 64 -1.392 5.694 12.784 487 HD22 LEU 64 HD22 LEU 64 -1.484 5.631 11.023 488 HD23 LEU 64 HD23 LEU 64 -0.340 6.719 11.809 489 H SER 65 HN SER 65 -2.620 2.055 11.342 490 HA SER 65 HA SER 65 -2.813 -0.610 12.456 491 HG SER 65 HG SER 65 -3.678 0.669 14.211 492 HB2 SER 65 HB2 SER 65 -5.298 1.084 12.085 493 HB3 SER 65 HB1 SER 65 -5.272 -0.623 12.527 494 H TYR 66 HN TYR 66 -4.643 -1.790 10.960 495 HA TYR 66 HA TYR 66 -3.461 -1.605 8.326 496 HD1 TYR 66 HD1 TYR 66 -3.873 -3.722 11.464 497 HD2 TYR 66 HD2 TYR 66 -2.727 -4.666 7.477 498 HE1 TYR 66 HE1 TYR 66 -1.937 -4.973 12.324 499 HE2 TYR 66 HE2 TYR 66 -0.789 -5.920 8.323 500 HH TYR 66 HH TYR 66 -0.410 -6.700 11.654 501 HB2 TYR 66 HB2 TYR 66 -5.475 -3.534 9.504 502 HB3 TYR 66 HB1 TYR 66 -4.823 -3.656 7.871 503 H ASN 67 HN ASN 67 -6.320 -0.582 9.919 504 HA ASN 67 HA ASN 67 -7.777 -0.108 7.456 505 HB2 ASN 67 HB2 ASN 67 -8.389 0.486 10.349 506 HB3 ASN 67 HB1 ASN 67 -9.416 1.045 9.033 507 HD21 ASN 67 HD21 ASN 67 -10.600 -0.455 7.842 508 HD22 ASN 67 HD22 ASN 67 -10.869 -2.067 8.411 509 H GLN 68 HN GLN 68 -5.876 1.712 9.781 510 HA GLN 68 HA GLN 68 -6.213 4.098 8.084 511 HB2 GLN 68 HB2 GLN 68 -5.395 4.005 10.994 512 HB3 GLN 68 HB1 GLN 68 -5.646 5.452 10.031 513 HG2 GLN 68 HG2 GLN 68 -7.819 3.460 10.595 514 HG3 GLN 68 HG1 GLN 68 -7.481 4.837 11.636 515 HE21 GLN 68 HE21 GLN 68 -7.314 4.862 8.103 516 HE22 GLN 68 HE22 GLN 68 -8.641 5.956 7.884 517 H THR 69 HN THR 69 -4.480 4.528 6.876 518 HA THR 69 HA THR 69 -2.008 3.169 7.539 519 HB THR 69 HB THR 69 -2.799 2.753 5.324 520 HG1 THR 69 HG1 THR 69 -0.549 4.504 5.300 521 HG21 THR 69 HG21 THR 69 -4.155 4.778 5.025 522 HG22 THR 69 HG22 THR 69 -3.095 4.484 3.646 523 HG23 THR 69 HG23 THR 69 -2.680 5.725 4.826 524 H ASN 70 HN ASN 70 -2.956 6.408 6.521 525 HA ASN 70 HA ASN 70 -0.776 7.514 8.117 526 HB2 ASN 70 HB2 ASN 70 -0.055 8.984 6.283 527 HB3 ASN 70 HB1 ASN 70 0.132 7.293 5.843 528 HD21 ASN 70 HD21 ASN 70 -1.672 10.218 5.289 529 HD22 ASN 70 HD22 ASN 70 -2.408 9.711 3.810 530 HA PRO 71 HA PRO 71 -3.441 10.849 9.282 531 HB2 PRO 71 HB2 PRO 71 -2.321 13.126 8.144 532 HB3 PRO 71 HB1 PRO 71 -1.852 12.419 9.692 533 HG2 PRO 71 HG2 PRO 71 -0.580 12.112 7.006 534 HG3 PRO 71 HG1 PRO 71 0.182 12.279 8.600 535 HD2 PRO 71 HD2 PRO 71 0.032 9.903 7.392 536 HD3 PRO 71 HD1 PRO 71 -0.202 10.048 9.151 537 H THR 72 HN THR 72 -5.260 11.897 8.602 538 HA THR 72 HA THR 72 -6.891 12.707 7.218 539 HB THR 72 HB THR 72 -4.905 12.340 4.956 540 HG1 THR 72 HG1 THR 72 -5.713 14.717 6.326 541 HG21 THR 72 HG21 THR 72 -7.232 12.364 4.159 542 HG22 THR 72 HG22 THR 72 -6.365 13.819 3.671 543 HG23 THR 72 HG23 THR 72 -7.507 13.882 5.014 544 H GLY 73 HN GLY 73 -5.252 9.725 6.725 545 HA2 GLY 73 HA2 GLY 73 -6.604 7.710 6.727 546 HA3 GLY 73 HA1 GLY 73 -7.771 8.561 5.720 547 H CYS 74 HN CYS 74 -6.921 9.325 3.608 548 HA CYS 74 HA CYS 74 -6.143 8.877 1.544 549 HG CYS 74 HG CYS 74 -4.805 10.965 1.703 550 HB2 CYS 74 HB2 CYS 74 -3.733 8.115 3.176 551 HB3 CYS 74 HB1 CYS 74 -3.723 8.181 1.415 552 H LEU 75 HN LEU 75 -7.696 7.272 1.153 553 HA LEU 75 HA LEU 75 -6.479 4.660 0.702 554 HG LEU 75 HG LEU 75 -9.475 6.282 1.995 555 HB2 LEU 75 HB2 LEU 75 -8.545 3.526 1.425 556 HB3 LEU 75 HB1 LEU 75 -7.735 4.363 2.734 557 HD11 LEU 75 HD11 LEU 75 -10.522 4.939 0.258 558 HD12 LEU 75 HD12 LEU 75 -11.657 5.263 1.567 559 HD13 LEU 75 HD13 LEU 75 -10.898 3.677 1.432 560 HD21 LEU 75 HD21 LEU 75 -10.846 5.537 3.877 561 HD22 LEU 75 HD22 LEU 75 -9.122 5.440 4.235 562 HD23 LEU 75 HD23 LEU 75 -10.028 3.975 3.852 563 H TYR 76 HN TYR 76 -7.166 3.625 -1.134 564 HA TYR 76 HA TYR 76 -9.020 5.170 -2.816 565 HD1 TYR 76 HD1 TYR 76 -9.071 6.195 -4.796 566 HD2 TYR 76 HD2 TYR 76 -6.684 2.865 -5.947 567 HE1 TYR 76 HE1 TYR 76 -9.940 6.373 -7.090 568 HE2 TYR 76 HE2 TYR 76 -7.549 3.031 -8.242 569 HH TYR 76 HH TYR 76 -9.421 3.922 -9.445 570 HB2 TYR 76 HB2 TYR 76 -6.676 5.288 -3.611 571 HB3 TYR 76 HB1 TYR 76 -6.652 3.532 -3.748 572 H ASN 77 HN ASN 77 -10.843 4.074 -2.450 573 HA ASN 77 HA ASN 77 -10.886 1.168 -2.658 574 HB2 ASN 77 HB2 ASN 77 -12.139 2.460 -0.863 575 HB3 ASN 77 HB1 ASN 77 -13.207 3.036 -2.136 576 HD21 ASN 77 HD21 ASN 77 -13.724 1.409 0.236 577 HD22 ASN 77 HD22 ASN 77 -14.471 -0.049 -0.340 578 HA PRO 78 HA PRO 78 -11.795 1.626 -7.005 579 HB2 PRO 78 HB2 PRO 78 -12.263 -1.031 -7.472 580 HB3 PRO 78 HB1 PRO 78 -10.650 -0.316 -7.387 581 HG2 PRO 78 HG2 PRO 78 -12.169 -1.817 -5.291 582 HG3 PRO 78 HG1 PRO 78 -10.450 -1.918 -5.717 583 HD2 PRO 78 HD2 PRO 78 -11.323 -0.537 -3.571 584 HD3 PRO 78 HD1 PRO 78 -9.914 -0.019 -4.520 585 H LYS 79 HN LYS 79 -13.737 2.762 -6.763 586 HA LYS 79 HA LYS 79 -16.185 1.288 -6.324 587 HB2 LYS 79 HB2 LYS 79 -17.218 3.588 -6.833 588 HB3 LYS 79 HB1 LYS 79 -16.296 3.399 -5.350 589 HG2 LYS 79 HG2 LYS 79 -14.363 4.455 -6.422 590 HG3 LYS 79 HG1 LYS 79 -15.300 4.653 -7.905 591 HD2 LYS 79 HD2 LYS 79 -16.818 6.153 -6.835 592 HD3 LYS 79 HD1 LYS 79 -16.142 5.801 -5.243 593 HE2 LYS 79 HE2 LYS 79 -15.314 7.931 -5.955 594 HE3 LYS 79 HE1 LYS 79 -13.988 6.774 -6.008 595 HZ1 LYS 79 HZ1 LYS 79 -15.556 7.782 -8.323 596 HZ2 LYS 79 HZ2 LYS 79 -14.380 6.561 -8.425 597 HZ3 LYS 79 HZ3 LYS 79 -13.936 8.132 -7.959 598 H LEU 80 HN LEU 80 -15.536 -0.068 -8.196 599 HA LEU 80 HA LEU 80 -16.723 1.017 -10.665 600 HG LEU 80 HG LEU 80 -13.586 0.929 -10.015 601 HB2 LEU 80 HB2 LEU 80 -14.708 -1.230 -10.434 602 HB3 LEU 80 HB1 LEU 80 -15.373 -0.586 -11.922 603 HD11 LEU 80 HD11 LEU 80 -12.365 -0.824 -11.141 604 HD12 LEU 80 HD12 LEU 80 -11.923 0.743 -11.819 605 HD13 LEU 80 HD13 LEU 80 -13.022 -0.319 -12.699 606 HD21 LEU 80 HD21 LEU 80 -14.651 1.682 -12.736 607 HD22 LEU 80 HD22 LEU 80 -13.489 2.610 -11.789 608 HD23 LEU 80 HD23 LEU 80 -15.136 2.395 -11.197 609 H GLU 81 HN GLU 81 -16.200 -2.226 -11.045 610 HA GLU 81 HA GLU 81 -18.882 -2.944 -10.219 611 HB2 GLU 81 HB2 GLU 81 -16.709 -4.347 -11.722 612 HB3 GLU 81 HB1 GLU 81 -18.013 -5.284 -11.006 613 HG2 GLU 81 HG2 GLU 81 -19.595 -3.733 -12.248 614 HG3 GLU 81 HG1 GLU 81 -18.174 -3.201 -13.152 615 H HIS 82 HN HIS 82 -15.569 -3.488 -9.225 616 HA HIS 82 HA HIS 82 -14.660 -4.192 -7.258 617 HD1 HIS 82 HD1 HIS 82 -14.734 -1.847 -4.838 618 HD2 HIS 82 HD2 HIS 82 -16.314 -5.576 -3.889 619 HE1 HIS 82 HE1 HIS 82 -13.870 -2.383 -2.537 620 HE2 HIS 82 HE2 HIS 82 -14.989 -4.562 -1.915 621 HB2 HIS 82 HB2 HIS 82 -16.532 -2.604 -6.443 622 HB3 HIS 82 HB1 HIS 82 -17.425 -4.064 -6.051 623 H HIS 83 HN HIS 83 -15.703 -6.097 -9.207 624 HA HIS 83 HA HIS 83 -16.720 -8.268 -7.504 625 HD1 HIS 83 HD1 HIS 83 -19.047 -7.005 -11.332 626 HD2 HIS 83 HD2 HIS 83 -19.112 -8.008 -7.288 627 HE1 HIS 83 HE1 HIS 83 -21.282 -6.240 -10.469 628 HE2 HIS 83 HE2 HIS 83 -21.351 -6.966 -8.058 629 HB2 HIS 83 HB2 HIS 83 -16.834 -7.876 -10.498 630 HB3 HIS 83 HB1 HIS 83 -17.341 -9.356 -9.693 631 H HIS 84 HN HIS 84 -14.369 -7.670 -10.105 632 HA HIS 84 HA HIS 84 -12.863 -10.026 -9.192 633 HD1 HIS 84 HD1 HIS 84 -13.106 -12.485 -9.750 634 HD2 HIS 84 HD2 HIS 84 -11.654 -11.157 -13.416 635 HE1 HIS 84 HE1 HIS 84 -11.685 -14.357 -10.640 636 HE2 HIS 84 HE2 HIS 84 -11.082 -13.635 -12.979 637 HB2 HIS 84 HB2 HIS 84 -14.475 -10.395 -11.207 638 HB3 HIS 84 HB1 HIS 84 -13.290 -9.476 -12.120 639 H HIS 85 HN HIS 85 -10.659 -9.734 -9.222 640 HA HIS 85 HA HIS 85 -9.751 -7.019 -9.503 641 HD1 HIS 85 HD1 HIS 85 -7.289 -6.792 -6.760 642 HD2 HIS 85 HD2 HIS 85 -10.714 -9.149 -6.785 643 HE1 HIS 85 HE1 HIS 85 -8.340 -6.496 -4.492 644 HE2 HIS 85 HE2 HIS 85 -10.274 -8.113 -4.464 645 HB2 HIS 85 HB2 HIS 85 -8.402 -9.579 -8.678 646 HB3 HIS 85 HB1 HIS 85 -7.505 -8.075 -8.854 647 H HIS 86 HN HIS 86 -10.486 -8.659 -11.926 648 HA HIS 86 HA HIS 86 -8.983 -7.366 -13.809 649 HD1 HIS 86 HD1 HIS 86 -8.347 -11.446 -15.367 650 HD2 HIS 86 HD2 HIS 86 -7.500 -10.905 -11.324 651 HE1 HIS 86 HE1 HIS 86 -8.286 -13.751 -14.366 652 HE2 HIS 86 HE2 HIS 86 -7.551 -13.407 -11.978 653 HB2 HIS 86 HB2 HIS 86 -7.533 -9.080 -14.780 654 HB3 HIS 86 HB1 HIS 86 -7.044 -8.763 -13.124 655 H HIS 87 HN HIS 87 -9.180 -8.930 -16.022 656 HA HIS 87 HA HIS 87 -11.942 -9.911 -15.876 657 HD1 HIS 87 HD1 HIS 87 -11.829 -9.860 -20.443 658 HD2 HIS 87 HD2 HIS 87 -14.029 -9.685 -16.912 659 HE1 HIS 87 HE1 HIS 87 -14.185 -10.488 -21.072 660 HE2 HIS 87 HE2 HIS 87 -15.523 -10.200 -18.956 661 HB2 HIS 87 HB2 HIS 87 -11.246 -8.158 -17.620 662 HB3 HIS 87 HB1 HIS 87 -10.391 -9.472 -18.424 Start of MODEL 5 1 HA MET 1 HA MET 1 -10.310 -18.925 -1.682 2 H1 MET 1 HT1 MET 1 -8.103 -18.488 -2.466 3 H2 MET 1 HT2 MET 1 -8.528 -20.092 -2.788 4 H3 MET 1 HT3 MET 1 -7.473 -19.739 -1.512 5 HB2 MET 1 HB2 MET 1 -8.986 -20.995 0.084 6 HB3 MET 1 HB1 MET 1 -10.682 -20.529 0.142 7 HG2 MET 1 HG2 MET 1 -9.251 -21.935 -2.100 8 HG3 MET 1 HG1 MET 1 -10.505 -22.585 -1.047 9 HE1 MET 1 HE1 MET 1 -12.203 -22.361 -4.593 10 HE2 MET 1 HE2 MET 1 -11.715 -23.437 -3.281 11 HE3 MET 1 HE3 MET 1 -10.492 -22.662 -4.292 12 H ALA 2 HN ALA 2 -7.205 -18.645 -0.131 13 HA ALA 2 HA ALA 2 -8.274 -16.972 2.004 14 HB1 ALA 2 HB1 ALA 2 -5.430 -17.718 1.325 15 HB2 ALA 2 HB2 ALA 2 -6.453 -18.519 2.519 16 HB3 ALA 2 HB3 ALA 2 -5.948 -16.846 2.767 17 H ASP 3 HN ASP 3 -8.457 -16.263 -0.858 18 HA ASP 3 HA ASP 3 -6.583 -14.194 -1.443 19 HB2 ASP 3 HB2 ASP 3 -9.294 -14.456 -2.725 20 HB3 ASP 3 HB1 ASP 3 -7.794 -13.883 -3.443 21 H TYR 4 HN TYR 4 -6.567 -12.487 -0.079 22 HA TYR 4 HA TYR 4 -9.155 -11.220 0.533 23 HD1 TYR 4 HD1 TYR 4 -10.180 -10.889 2.946 24 HD2 TYR 4 HD2 TYR 4 -6.448 -8.846 2.938 25 HE1 TYR 4 HE1 TYR 4 -11.179 -9.072 4.266 26 HE2 TYR 4 HE2 TYR 4 -7.438 -7.019 4.256 27 HH TYR 4 HH TYR 4 -10.549 -7.286 5.714 28 HB2 TYR 4 HB2 TYR 4 -7.908 -12.055 2.517 29 HB3 TYR 4 HB1 TYR 4 -6.558 -11.016 2.081 30 H ASN 5 HN ASN 5 -9.515 -9.240 -0.247 31 HA ASN 5 HA ASN 5 -7.467 -7.961 -1.828 32 HB2 ASN 5 HB2 ASN 5 -9.848 -7.996 -2.557 33 HB3 ASN 5 HB1 ASN 5 -10.258 -6.983 -1.176 34 HD21 ASN 5 HD21 ASN 5 -10.989 -5.283 -2.431 35 HD22 ASN 5 HD22 ASN 5 -9.927 -4.301 -3.374 36 H ILE 6 HN ILE 6 -6.050 -6.585 -1.042 37 HA ILE 6 HA ILE 6 -6.259 -5.646 1.668 38 HB ILE 6 HB ILE 6 -4.047 -4.635 1.282 39 HG12 ILE 6 HG12 ILE 6 -4.283 -5.770 -1.518 40 HG13 ILE 6 HG11 ILE 6 -4.399 -4.062 -1.114 41 HG21 ILE 6 HG21 ILE 6 -4.281 -7.486 0.329 42 HG22 ILE 6 HG22 ILE 6 -4.206 -6.952 2.008 43 HG23 ILE 6 HG23 ILE 6 -2.815 -6.726 0.947 44 HD11 ILE 6 HD11 ILE 6 -1.986 -5.812 -0.707 45 HD12 ILE 6 HD12 ILE 6 -2.102 -4.103 -0.288 46 HD13 ILE 6 HD13 ILE 6 -2.207 -4.604 -1.976 47 HA PRO 7 HA PRO 7 -7.817 -1.551 0.979 48 HB2 PRO 7 HB2 PRO 7 -5.692 -0.555 2.780 49 HB3 PRO 7 HB1 PRO 7 -7.446 -0.435 2.942 50 HG2 PRO 7 HG2 PRO 7 -6.035 -2.086 4.490 51 HG3 PRO 7 HG1 PRO 7 -7.637 -2.545 3.879 52 HD2 PRO 7 HD2 PRO 7 -4.926 -3.368 2.903 53 HD3 PRO 7 HD1 PRO 7 -6.393 -4.350 3.114 54 H HIS 8 HN HIS 8 -7.454 -0.202 -0.650 55 HA HIS 8 HA HIS 8 -4.724 0.043 -1.676 56 HD1 HIS 8 HD1 HIS 8 -8.171 2.439 -3.472 57 HD2 HIS 8 HD2 HIS 8 -8.579 -1.620 -2.700 58 HE1 HIS 8 HE1 HIS 8 -10.641 2.003 -3.444 59 HE2 HIS 8 HE2 HIS 8 -10.866 -0.426 -2.814 60 HB2 HIS 8 HB2 HIS 8 -5.979 1.118 -3.682 61 HB3 HIS 8 HB1 HIS 8 -6.054 -0.623 -3.461 62 H PHE 9 HN PHE 9 -3.615 1.891 -1.655 63 HA PHE 9 HA PHE 9 -4.949 4.166 -0.340 64 HD1 PHE 9 HD2 PHE 9 -4.654 4.544 2.276 65 HD2 PHE 9 HD1 PHE 9 -2.327 1.169 1.139 66 HE1 PHE 9 HE2 PHE 9 -5.394 3.356 4.300 67 HE2 PHE 9 HE1 PHE 9 -3.060 -0.024 3.161 68 HZ PHE 9 HZ PHE 9 -4.595 1.071 4.744 69 HB2 PHE 9 HB2 PHE 9 -2.119 3.146 -0.050 70 HB3 PHE 9 HB1 PHE 9 -2.690 4.665 0.629 71 H GLN 10 HN GLN 10 -3.865 6.240 -0.625 72 HA GLN 10 HA GLN 10 -2.105 6.780 -2.811 73 HB2 GLN 10 HB2 GLN 10 -3.646 8.104 -4.166 74 HB3 GLN 10 HB1 GLN 10 -4.234 6.451 -4.059 75 HG2 GLN 10 HG2 GLN 10 -6.196 7.370 -3.544 76 HG3 GLN 10 HG1 GLN 10 -5.497 7.633 -1.945 77 HE21 GLN 10 HE21 GLN 10 -4.933 9.682 -1.321 78 HE22 GLN 10 HE22 GLN 10 -5.374 11.107 -2.213 79 H ASN 11 HN ASN 11 -1.337 9.015 -2.595 80 HA ASN 11 HA ASN 11 -2.537 10.363 -0.268 81 HB2 ASN 11 HB2 ASN 11 -0.347 9.099 0.197 82 HB3 ASN 11 HB1 ASN 11 0.427 10.380 -0.729 83 HD21 ASN 11 HD21 ASN 11 -2.370 10.789 1.364 84 HD22 ASN 11 HD22 ASN 11 -1.560 11.754 2.551 85 H ASP 12 HN ASP 12 -3.236 12.284 -0.789 86 HA ASP 12 HA ASP 12 -2.337 13.598 -3.192 87 HB2 ASP 12 HB2 ASP 12 -4.283 14.556 -1.081 88 HB3 ASP 12 HB1 ASP 12 -4.041 15.275 -2.668 89 H LEU 13 HN LEU 13 -2.231 14.259 0.288 90 HA LEU 13 HA LEU 13 -1.074 16.833 -0.081 91 HG LEU 13 HG LEU 13 -2.193 14.104 2.056 92 HB2 LEU 13 HB2 LEU 13 -0.832 16.750 2.439 93 HB3 LEU 13 HB1 LEU 13 -2.451 16.674 1.779 94 HD11 LEU 13 HD11 LEU 13 -0.096 15.081 3.983 95 HD12 LEU 13 HD12 LEU 13 0.181 14.071 2.563 96 HD13 LEU 13 HD13 LEU 13 -0.758 13.448 3.920 97 HD21 LEU 13 HD21 LEU 13 -3.769 15.441 3.303 98 HD22 LEU 13 HD22 LEU 13 -2.495 15.963 4.406 99 HD23 LEU 13 HD23 LEU 13 -2.996 14.272 4.373 100 H GLY 14 HN GLY 14 0.279 13.671 0.297 101 HA2 GLY 14 HA2 GLY 14 2.941 14.931 0.464 102 HA3 GLY 14 HA1 GLY 14 2.541 13.546 1.469 103 H TYR 15 HN TYR 15 2.177 11.526 0.481 104 HA TYR 15 HA TYR 15 2.381 9.844 -1.034 105 HD1 TYR 15 HD1 TYR 15 0.745 9.028 -3.156 106 HD2 TYR 15 HD2 TYR 15 4.381 10.686 -4.608 107 HE1 TYR 15 HE1 TYR 15 0.911 7.208 -4.802 108 HE2 TYR 15 HE2 TYR 15 4.560 8.874 -6.257 109 HH TYR 15 HH TYR 15 3.724 6.522 -6.495 110 HB2 TYR 15 HB2 TYR 15 1.401 11.401 -2.715 111 HB3 TYR 15 HB1 TYR 15 3.028 11.933 -3.116 112 H LYS 16 HN LYS 16 4.842 12.305 -0.877 113 HA LYS 16 HA LYS 16 6.971 10.804 -1.969 114 HB2 LYS 16 HB2 LYS 16 7.096 13.035 0.071 115 HB3 LYS 16 HB1 LYS 16 8.419 12.480 -0.948 116 HG2 LYS 16 HG2 LYS 16 7.335 13.274 -2.917 117 HG3 LYS 16 HG1 LYS 16 5.859 13.634 -2.026 118 HD2 LYS 16 HD2 LYS 16 7.096 15.316 -0.716 119 HD3 LYS 16 HD1 LYS 16 8.532 14.985 -1.689 120 HE2 LYS 16 HE2 LYS 16 7.377 15.715 -3.688 121 HE3 LYS 16 HE1 LYS 16 5.888 15.950 -2.772 122 HZ1 LYS 16 HZ1 LYS 16 8.425 17.441 -2.379 123 HZ2 LYS 16 HZ2 LYS 16 7.006 17.658 -1.478 124 HZ3 LYS 16 HZ3 LYS 16 7.027 18.038 -3.128 125 H ILE 17 HN ILE 17 5.871 11.327 1.357 126 HA ILE 17 HA ILE 17 7.226 8.821 2.114 127 HB ILE 17 HB ILE 17 7.162 11.358 3.767 128 HG12 ILE 17 HG12 ILE 17 9.494 9.811 2.609 129 HG13 ILE 17 HG11 ILE 17 8.881 11.342 1.992 130 HG21 ILE 17 HG21 ILE 17 8.464 10.052 5.422 131 HG22 ILE 17 HG22 ILE 17 8.168 8.603 4.461 132 HG23 ILE 17 HG23 ILE 17 6.818 9.458 5.206 133 HD11 ILE 17 HD11 ILE 17 9.479 12.416 4.109 134 HD12 ILE 17 HD12 ILE 17 10.873 11.687 3.313 135 HD13 ILE 17 HD13 ILE 17 10.124 10.881 4.692 136 H ILE 18 HN ILE 18 5.642 7.428 2.583 137 HA ILE 18 HA ILE 18 3.268 8.512 4.021 138 HB ILE 18 HB ILE 18 3.329 6.190 2.081 139 HG12 ILE 18 HG12 ILE 18 2.055 8.928 1.867 140 HG13 ILE 18 HG11 ILE 18 3.477 8.385 0.983 141 HG21 ILE 18 HG21 ILE 18 1.743 5.789 3.880 142 HG22 ILE 18 HG22 ILE 18 0.888 6.145 2.378 143 HG23 ILE 18 HG23 ILE 18 1.028 7.381 3.628 144 HD11 ILE 18 HD11 ILE 18 2.143 6.717 -0.175 145 HD12 ILE 18 HD12 ILE 18 1.473 8.333 -0.403 146 HD13 ILE 18 HD13 ILE 18 0.714 7.215 0.734 147 H GLU 19 HN GLU 19 2.987 7.791 6.018 148 HA GLU 19 HA GLU 19 4.299 5.340 6.902 149 HB2 GLU 19 HB2 GLU 19 2.644 7.355 8.446 150 HB3 GLU 19 HB1 GLU 19 3.481 5.983 9.151 151 HG2 GLU 19 HG2 GLU 19 4.828 7.836 9.594 152 HG3 GLU 19 HG1 GLU 19 5.618 7.001 8.259 153 H ILE 20 HN ILE 20 3.231 3.449 7.254 154 HA ILE 20 HA ILE 20 0.297 3.485 7.252 155 HB ILE 20 HB ILE 20 0.242 1.490 5.769 156 HG12 ILE 20 HG12 ILE 20 3.133 2.179 5.205 157 HG13 ILE 20 HG11 ILE 20 2.589 0.786 6.134 158 HG21 ILE 20 HG21 ILE 20 -0.246 3.699 4.875 159 HG22 ILE 20 HG22 ILE 20 0.568 2.698 3.671 160 HG23 ILE 20 HG23 ILE 20 1.466 3.948 4.531 161 HD11 ILE 20 HD11 ILE 20 1.466 -0.099 4.166 162 HD12 ILE 20 HD12 ILE 20 3.180 0.178 3.852 163 HD13 ILE 20 HD13 ILE 20 1.976 1.309 3.235 164 H GLY 21 HN GLY 21 -0.685 1.738 8.327 165 HA2 GLY 21 HA2 GLY 21 1.087 0.261 10.128 166 HA3 GLY 21 HA1 GLY 21 -0.664 0.379 10.257 167 H VAL 22 HN VAL 22 0.985 -0.366 7.289 168 HA VAL 22 HA VAL 22 -0.169 -3.072 7.369 169 HB VAL 22 HB VAL 22 0.415 -1.426 4.898 170 HG11 VAL 22 HG11 VAL 22 0.478 -3.815 4.505 171 HG12 VAL 22 HG12 VAL 22 -0.957 -3.111 3.759 172 HG13 VAL 22 HG13 VAL 22 -1.098 -4.003 5.274 173 HG21 VAL 22 HG21 VAL 22 -2.223 -1.905 6.280 174 HG22 VAL 22 HG22 VAL 22 -2.018 -1.134 4.707 175 HG23 VAL 22 HG23 VAL 22 -1.371 -0.366 6.157 176 H LYS 23 HN LYS 23 1.274 -4.679 7.365 177 HA LYS 23 HA LYS 23 4.076 -4.023 7.114 178 HB2 LYS 23 HB2 LYS 23 3.240 -5.440 8.953 179 HB3 LYS 23 HB1 LYS 23 2.743 -6.652 7.783 180 HG2 LYS 23 HG2 LYS 23 4.998 -7.128 7.199 181 HG3 LYS 23 HG1 LYS 23 5.590 -5.738 8.109 182 HD2 LYS 23 HD2 LYS 23 4.867 -6.764 10.188 183 HD3 LYS 23 HD1 LYS 23 4.196 -8.131 9.299 184 HE2 LYS 23 HE2 LYS 23 6.373 -8.811 8.578 185 HE3 LYS 23 HE1 LYS 23 7.101 -7.342 9.221 186 HZ1 LYS 23 HZ1 LYS 23 5.730 -9.363 10.908 187 HZ2 LYS 23 HZ2 LYS 23 6.679 -8.055 11.428 188 HZ3 LYS 23 HZ3 LYS 23 7.403 -9.358 10.621 189 H GLU 24 HN GLU 24 1.662 -5.205 5.051 190 HA GLU 24 HA GLU 24 3.680 -5.837 3.031 191 HB2 GLU 24 HB2 GLU 24 1.315 -7.612 3.672 192 HB3 GLU 24 HB1 GLU 24 2.357 -7.798 2.268 193 HG2 GLU 24 HG2 GLU 24 4.267 -8.188 3.761 194 HG3 GLU 24 HG1 GLU 24 3.190 -8.052 5.149 195 H PHE 25 HN PHE 25 3.306 -4.349 1.514 196 HA PHE 25 HA PHE 25 0.534 -3.902 0.646 197 HD1 PHE 25 HD2 PHE 25 -1.145 -2.114 0.913 198 HD2 PHE 25 HD1 PHE 25 2.317 0.033 -0.323 199 HE1 PHE 25 HE2 PHE 25 -2.564 -0.576 -0.384 200 HE2 PHE 25 HE1 PHE 25 0.903 1.572 -1.618 201 HZ PHE 25 HZ PHE 25 -1.541 1.267 -1.652 202 HB2 PHE 25 HB2 PHE 25 1.194 -2.085 2.193 203 HB3 PHE 25 HB1 PHE 25 2.560 -1.710 1.152 204 H MET 26 HN MET 26 0.367 -2.977 -1.531 205 HA MET 26 HA MET 26 2.778 -3.183 -3.172 206 HB2 MET 26 HB2 MET 26 1.091 -5.316 -3.067 207 HB3 MET 26 HB1 MET 26 0.354 -4.395 -4.368 208 HG2 MET 26 HG2 MET 26 3.245 -5.234 -4.298 209 HG3 MET 26 HG1 MET 26 1.966 -6.110 -5.130 210 HE1 MET 26 HE1 MET 26 4.703 -5.065 -6.448 211 HE2 MET 26 HE2 MET 26 4.119 -4.474 -8.003 212 HE3 MET 26 HE3 MET 26 3.497 -5.988 -7.346 213 H CYS 27 HN CYS 27 2.507 -2.160 -5.272 214 HA CYS 27 HA CYS 27 1.120 0.322 -5.000 215 HB2 CYS 27 HB2 CYS 27 2.690 -0.868 -7.289 216 HB3 CYS 27 HB1 CYS 27 2.049 0.770 -7.280 217 H VAL 28 HN VAL 28 -0.873 0.768 -5.553 218 HA VAL 28 HA VAL 28 -2.330 -0.984 -7.381 219 HB VAL 28 HB VAL 28 -3.379 1.320 -5.724 220 HG11 VAL 28 HG11 VAL 28 -5.572 0.286 -6.114 221 HG12 VAL 28 HG12 VAL 28 -4.807 -0.916 -7.152 222 HG13 VAL 28 HG13 VAL 28 -4.797 0.784 -7.619 223 HG21 VAL 28 HG21 VAL 28 -2.459 -0.398 -4.272 224 HG22 VAL 28 HG22 VAL 28 -3.387 -1.636 -5.118 225 HG23 VAL 28 HG23 VAL 28 -4.219 -0.396 -4.179 226 H GLY 29 HN GLY 29 -3.167 -0.281 -9.323 227 HA2 GLY 29 HA2 GLY 29 -3.901 1.690 -10.650 228 HA3 GLY 29 HA1 GLY 29 -2.403 2.459 -10.138 229 H ALA 30 HN ALA 30 -0.404 1.661 -10.952 230 HA ALA 30 HA ALA 30 -0.654 0.451 -13.592 231 HB1 ALA 30 HB1 ALA 30 1.775 1.539 -12.163 232 HB2 ALA 30 HB2 ALA 30 0.786 2.411 -13.333 233 HB3 ALA 30 HB3 ALA 30 1.719 1.004 -13.843 234 H THR 31 HN THR 31 -1.435 -1.313 -11.765 235 HA THR 31 HA THR 31 0.674 -2.956 -10.757 236 HB THR 31 HB THR 31 -2.222 -3.741 -11.099 237 HG1 THR 31 HG1 THR 31 -1.089 -2.437 -8.823 238 HG21 THR 31 HG21 THR 31 -0.688 -5.533 -10.432 239 HG22 THR 31 HG22 THR 31 -1.783 -5.114 -9.114 240 HG23 THR 31 HG23 THR 31 -0.113 -4.545 -9.089 241 H GLN 32 HN GLN 32 1.956 -3.720 -12.324 242 HA GLN 32 HA GLN 32 0.788 -5.572 -14.279 243 HB2 GLN 32 HB2 GLN 32 2.981 -3.539 -14.797 244 HB3 GLN 32 HB1 GLN 32 2.478 -4.782 -15.934 245 HG2 GLN 32 HG2 GLN 32 0.256 -3.783 -16.052 246 HG3 GLN 32 HG1 GLN 32 0.752 -2.545 -14.899 247 HE21 GLN 32 HE21 GLN 32 -0.217 -2.290 -17.641 248 HE22 GLN 32 HE22 GLN 32 1.013 -1.427 -18.498 249 HA PRO 33 HA PRO 33 3.905 -8.767 -13.603 250 HB2 PRO 33 HB2 PRO 33 5.658 -7.331 -15.571 251 HB3 PRO 33 HB1 PRO 33 5.393 -9.066 -15.369 252 HG2 PRO 33 HG2 PRO 33 4.112 -7.596 -17.255 253 HG3 PRO 33 HG1 PRO 33 3.398 -9.030 -16.496 254 HD2 PRO 33 HD2 PRO 33 2.604 -6.246 -16.246 255 HD3 PRO 33 HD1 PRO 33 1.770 -7.697 -15.661 256 H PHE 34 HN PHE 34 4.985 -8.764 -11.750 257 HA PHE 34 HA PHE 34 5.945 -6.292 -10.672 258 HD1 PHE 34 HD1 PHE 34 3.788 -6.244 -9.690 259 HD2 PHE 34 HD2 PHE 34 4.530 -10.353 -8.870 260 HE1 PHE 34 HE1 PHE 34 1.370 -6.631 -9.458 261 HE2 PHE 34 HE2 PHE 34 2.115 -10.744 -8.632 262 HZ PHE 34 HZ PHE 34 0.532 -8.882 -8.927 263 HB2 PHE 34 HB2 PHE 34 6.298 -8.996 -9.393 264 HB3 PHE 34 HB1 PHE 34 6.129 -7.427 -8.610 265 H ASP 35 HN ASP 35 7.695 -5.722 -11.952 266 HA ASP 35 HA ASP 35 10.218 -6.885 -11.186 267 HB2 ASP 35 HB2 ASP 35 9.445 -8.358 -13.072 268 HB3 ASP 35 HB1 ASP 35 9.468 -6.940 -14.118 269 H HIS 36 HN HIS 36 8.650 -4.825 -13.632 270 HA HIS 36 HA HIS 36 10.700 -2.799 -13.063 271 HD1 HIS 36 HD1 HIS 36 12.716 -2.036 -14.690 272 HD2 HIS 36 HD2 HIS 36 11.035 -5.301 -16.631 273 HE1 HIS 36 HE1 HIS 36 14.653 -3.329 -15.633 274 HE2 HIS 36 HE2 HIS 36 13.593 -5.182 -16.975 275 HB2 HIS 36 HB2 HIS 36 9.324 -3.464 -15.646 276 HB3 HIS 36 HB1 HIS 36 10.056 -1.886 -15.383 277 HA PRO 37 HA PRO 37 6.473 -0.354 -13.996 278 HB2 PRO 37 HB2 PRO 37 4.430 -1.987 -12.898 279 HB3 PRO 37 HB1 PRO 37 4.607 -1.473 -14.576 280 HG2 PRO 37 HG2 PRO 37 5.398 -4.021 -13.286 281 HG3 PRO 37 HG1 PRO 37 4.920 -3.703 -14.963 282 HD2 PRO 37 HD2 PRO 37 7.469 -4.197 -14.311 283 HD3 PRO 37 HD1 PRO 37 7.052 -3.013 -15.569 284 H HIS 38 HN HIS 38 6.180 -2.688 -11.375 285 HA HIS 38 HA HIS 38 6.935 -0.680 -9.446 286 HD2 HIS 38 HD2 HIS 38 3.104 -0.024 -11.129 287 HE1 HIS 38 HE1 HIS 38 4.344 3.400 -8.968 288 HE2 HIS 38 HE2 HIS 38 3.104 2.561 -10.977 289 HB2 HIS 38 HB2 HIS 38 4.183 -1.904 -9.463 290 HB3 HIS 38 HB1 HIS 38 4.913 -1.289 -7.984 291 H ILE 39 HN ILE 39 6.414 -1.902 -7.128 292 HA ILE 39 HA ILE 39 7.558 -4.579 -7.293 293 HB ILE 39 HB ILE 39 9.429 -2.883 -7.240 294 HG12 ILE 39 HG12 ILE 39 10.670 -3.997 -5.378 295 HG13 ILE 39 HG11 ILE 39 9.158 -4.753 -4.881 296 HG21 ILE 39 HG21 ILE 39 9.866 -1.713 -5.130 297 HG22 ILE 39 HG22 ILE 39 8.337 -2.318 -4.489 298 HG23 ILE 39 HG23 ILE 39 8.341 -1.207 -5.860 299 HD11 ILE 39 HD11 ILE 39 10.512 -5.141 -7.539 300 HD12 ILE 39 HD12 ILE 39 9.027 -5.925 -6.999 301 HD13 ILE 39 HD13 ILE 39 10.553 -6.267 -6.182 302 H PHE 40 HN PHE 40 7.545 -5.622 -5.104 303 HA PHE 40 HA PHE 40 5.195 -4.754 -3.613 304 HD1 PHE 40 HD2 PHE 40 7.490 -7.684 -5.394 305 HD2 PHE 40 HD1 PHE 40 7.018 -7.756 -1.165 306 HE1 PHE 40 HE2 PHE 40 9.513 -9.076 -5.194 307 HE2 PHE 40 HE1 PHE 40 9.035 -9.145 -0.956 308 HZ PHE 40 HZ PHE 40 10.288 -9.807 -2.977 309 HB2 PHE 40 HB2 PHE 40 5.279 -6.948 -2.537 310 HB3 PHE 40 HB1 PHE 40 5.330 -7.125 -4.286 311 H ILE 41 HN ILE 41 5.238 -4.185 -1.451 312 HA ILE 41 HA ILE 41 7.931 -3.682 -0.373 313 HB ILE 41 HB ILE 41 5.363 -2.181 0.178 314 HG12 ILE 41 HG12 ILE 41 6.878 -0.262 -0.745 315 HG13 ILE 41 HG11 ILE 41 7.808 -1.570 -1.461 316 HG21 ILE 41 HG21 ILE 41 6.718 -2.301 2.183 317 HG22 ILE 41 HG22 ILE 41 6.747 -0.665 1.525 318 HG23 ILE 41 HG23 ILE 41 8.130 -1.735 1.293 319 HD11 ILE 41 HD11 ILE 41 6.211 -0.609 -3.032 320 HD12 ILE 41 HD12 ILE 41 4.888 -1.029 -1.946 321 HD13 ILE 41 HD13 ILE 41 5.848 -2.303 -2.698 322 H ASP 42 HN ASP 42 8.493 -4.822 1.342 323 HA ASP 42 HA ASP 42 6.380 -5.861 3.112 324 HB2 ASP 42 HB2 ASP 42 7.535 -7.889 3.407 325 HB3 ASP 42 HB1 ASP 42 7.682 -7.577 1.680 326 H MET 43 HN MET 43 6.697 -5.663 5.288 327 HA MET 43 HA MET 43 8.990 -4.011 6.088 328 HB2 MET 43 HB2 MET 43 6.236 -4.322 7.270 329 HB3 MET 43 HB1 MET 43 7.543 -3.517 8.123 330 HG2 MET 43 HG2 MET 43 6.242 -1.834 7.105 331 HG3 MET 43 HG1 MET 43 7.737 -1.958 6.183 332 HE1 MET 43 HE1 MET 43 6.387 -0.460 4.325 333 HE2 MET 43 HE2 MET 43 4.956 -0.541 5.353 334 HE3 MET 43 HE3 MET 43 4.841 -0.970 3.645 335 H GLY 44 HN GLY 44 9.188 -6.875 5.783 336 HA2 GLY 44 HA2 GLY 44 9.019 -8.178 8.299 337 HA3 GLY 44 HA1 GLY 44 9.972 -8.713 6.922 338 H SER 45 HN SER 45 12.113 -7.882 6.667 339 HA SER 45 HA SER 45 13.409 -7.362 9.196 340 HG SER 45 HG SER 45 14.217 -9.500 8.500 341 HB2 SER 45 HB2 SER 45 14.588 -7.603 6.413 342 HB3 SER 45 HB1 SER 45 15.492 -7.613 7.931 343 H THR 46 HN THR 46 12.117 -5.530 6.671 344 HA THR 46 HA THR 46 13.791 -3.203 7.338 345 HB THR 46 HB THR 46 12.017 -3.222 4.935 346 HG1 THR 46 HG1 THR 46 14.539 -4.572 5.133 347 HG21 THR 46 HG21 THR 46 13.877 -1.900 4.010 348 HG22 THR 46 HG22 THR 46 14.773 -2.129 5.512 349 HG23 THR 46 HG23 THR 46 13.268 -1.210 5.516 350 H ASP 47 HN ASP 47 12.818 -1.834 8.694 351 HA ASP 47 HA ASP 47 10.016 -2.034 9.233 352 HB2 ASP 47 HB2 ASP 47 12.069 -0.058 10.250 353 HB3 ASP 47 HB1 ASP 47 10.424 -0.208 10.858 354 H GLU 48 HN GLU 48 12.007 0.040 7.274 355 HA GLU 48 HA GLU 48 9.556 1.252 6.254 356 HB2 GLU 48 HB2 GLU 48 10.671 3.479 6.136 357 HB3 GLU 48 HB1 GLU 48 10.324 2.933 7.768 358 HG2 GLU 48 HG2 GLU 48 12.608 2.402 8.159 359 HG3 GLU 48 HG1 GLU 48 13.015 2.647 6.462 360 H LYS 49 HN LYS 49 9.454 1.212 4.136 361 HA LYS 49 HA LYS 49 11.940 1.065 2.554 362 HB2 LYS 49 HB2 LYS 49 9.549 -0.738 2.437 363 HB3 LYS 49 HB1 LYS 49 10.459 -0.417 0.971 364 HG2 LYS 49 HG2 LYS 49 12.500 -1.230 2.148 365 HG3 LYS 49 HG1 LYS 49 11.463 -1.703 3.495 366 HD2 LYS 49 HD2 LYS 49 10.261 -3.251 2.111 367 HD3 LYS 49 HD1 LYS 49 11.076 -2.662 0.661 368 HE2 LYS 49 HE2 LYS 49 13.214 -3.467 1.542 369 HE3 LYS 49 HE1 LYS 49 12.393 -4.072 2.979 370 HZ1 LYS 49 HZ1 LYS 49 12.840 -5.794 1.296 371 HZ2 LYS 49 HZ2 LYS 49 11.830 -4.992 0.206 372 HZ3 LYS 49 HZ3 LYS 49 11.186 -5.642 1.635 373 H ILE 50 HN ILE 50 12.007 2.496 0.924 374 HA ILE 50 HA ILE 50 9.595 3.961 0.191 375 HB ILE 50 HB ILE 50 11.846 5.091 0.501 376 HG12 ILE 50 HG12 ILE 50 10.575 5.415 -2.229 377 HG13 ILE 50 HG11 ILE 50 9.982 6.147 -0.741 378 HG21 ILE 50 HG21 ILE 50 13.209 3.373 -0.596 379 HG22 ILE 50 HG22 ILE 50 13.466 4.968 -1.307 380 HG23 ILE 50 HG23 ILE 50 12.463 3.781 -2.142 381 HD11 ILE 50 HD11 ILE 50 12.642 6.689 -2.037 382 HD12 ILE 50 HD12 ILE 50 12.050 7.426 -0.548 383 HD13 ILE 50 HD13 ILE 50 11.228 7.742 -2.076 384 H CYS 51 HN CYS 51 8.988 4.136 -2.198 385 HA CYS 51 HA CYS 51 9.477 1.483 -3.412 386 HB2 CYS 51 HB2 CYS 51 7.119 2.031 -3.183 387 HB3 CYS 51 HB1 CYS 51 7.352 3.542 -4.051 388 HA PRO 52 HA PRO 52 12.578 3.416 -6.014 389 HB2 PRO 52 HB2 PRO 52 12.502 1.251 -7.810 390 HB3 PRO 52 HB1 PRO 52 13.619 1.455 -6.459 391 HG2 PRO 52 HG2 PRO 52 11.108 -0.137 -6.619 392 HG3 PRO 52 HG1 PRO 52 12.602 -0.475 -5.726 393 HD2 PRO 52 HD2 PRO 52 10.401 0.388 -4.471 394 HD3 PRO 52 HD1 PRO 52 12.017 0.933 -3.971 395 H TYR 53 HN TYR 53 9.637 1.882 -7.201 396 HA TYR 53 HA TYR 53 9.431 3.990 -9.244 397 HD1 TYR 53 HD2 TYR 53 10.249 0.051 -9.137 398 HD2 TYR 53 HD1 TYR 53 9.376 2.932 -12.151 399 HE1 TYR 53 HE2 TYR 53 12.096 -0.826 -10.506 400 HE2 TYR 53 HE1 TYR 53 11.216 2.056 -13.527 401 HH TYR 53 HH TYR 53 13.286 0.800 -13.254 402 HB2 TYR 53 HB2 TYR 53 8.114 1.263 -9.166 403 HB3 TYR 53 HB1 TYR 53 7.798 2.493 -10.382 404 H CYS 54 HN CYS 54 8.627 5.491 -7.753 405 HA CYS 54 HA CYS 54 6.050 6.138 -7.587 406 HB2 CYS 54 HB2 CYS 54 6.546 4.019 -5.539 407 HB3 CYS 54 HB1 CYS 54 5.544 5.387 -5.083 408 H SER 55 HN SER 55 9.016 5.850 -5.746 409 HA SER 55 HA SER 55 9.843 6.894 -3.907 410 HG SER 55 HG SER 55 8.928 9.025 -6.041 411 HB2 SER 55 HB2 SER 55 7.604 8.927 -4.240 412 HB3 SER 55 HB1 SER 55 9.019 9.092 -3.200 413 H THR 56 HN THR 56 8.070 8.053 -1.789 414 HA THR 56 HA THR 56 6.283 7.648 -0.462 415 HB THR 56 HB THR 56 5.810 5.097 -2.025 416 HG1 THR 56 HG1 THR 56 4.884 7.756 -2.364 417 HG21 THR 56 HG21 THR 56 4.090 6.621 -0.060 418 HG22 THR 56 HG22 THR 56 4.846 5.050 0.209 419 HG23 THR 56 HG23 THR 56 3.567 5.219 -0.994 420 H LEU 57 HN LEU 57 8.086 7.544 0.895 421 HA LEU 57 HA LEU 57 9.307 5.072 1.586 422 HG LEU 57 HG LEU 57 11.446 5.655 2.707 423 HB2 LEU 57 HB2 LEU 57 10.021 7.582 2.018 424 HB3 LEU 57 HB1 LEU 57 9.092 7.377 3.485 425 HD11 LEU 57 HD11 LEU 57 12.658 6.880 4.432 426 HD12 LEU 57 HD12 LEU 57 11.261 7.929 4.677 427 HD13 LEU 57 HD13 LEU 57 12.125 7.955 3.140 428 HD21 LEU 57 HD21 LEU 57 9.897 5.874 5.287 429 HD22 LEU 57 HD22 LEU 57 11.347 4.903 5.032 430 HD23 LEU 57 HD23 LEU 57 9.861 4.514 4.165 431 H TYR 58 HN TYR 58 7.897 3.513 2.124 432 HA TYR 58 HA TYR 58 5.571 3.980 3.738 433 HD1 TYR 58 HD2 TYR 58 3.436 2.550 2.306 434 HD2 TYR 58 HD1 TYR 58 7.244 1.738 0.592 435 HE1 TYR 58 HE2 TYR 58 2.456 2.717 0.056 436 HE2 TYR 58 HE1 TYR 58 6.273 1.899 -1.659 437 HH TYR 58 HH TYR 58 3.174 3.178 -2.236 438 HB2 TYR 58 HB2 TYR 58 6.879 1.377 2.916 439 HB3 TYR 58 HB1 TYR 58 5.282 1.537 3.632 440 H ARG 59 HN ARG 59 5.977 4.578 5.782 441 HA ARG 59 HA ARG 59 8.009 3.160 7.323 442 HE ARG 59 HE ARG 59 10.389 7.489 7.945 443 HB2 ARG 59 HB2 ARG 59 6.285 5.559 7.933 444 HB3 ARG 59 HB1 ARG 59 7.336 4.811 9.122 445 HG2 ARG 59 HG2 ARG 59 9.282 5.356 7.808 446 HG3 ARG 59 HG1 ARG 59 8.259 5.993 6.515 447 HD2 ARG 59 HD2 ARG 59 7.478 7.764 7.903 448 HD3 ARG 59 HD1 ARG 59 8.229 7.054 9.329 449 HH11 ARG 59 HH11 ARG 59 7.539 9.531 8.018 450 HH12 ARG 59 HH12 ARG 59 8.444 11.008 7.864 451 HH21 ARG 59 HH21 ARG 59 11.573 9.403 7.730 452 HH22 ARG 59 HH22 ARG 59 10.747 10.938 7.709 453 H TYR 60 HN TYR 60 7.447 1.372 8.389 454 HA TYR 60 HA TYR 60 4.696 1.165 9.405 455 HD1 TYR 60 HD2 TYR 60 3.040 -0.944 9.179 456 HD2 TYR 60 HD1 TYR 60 6.703 -2.507 10.680 457 HE1 TYR 60 HE2 TYR 60 1.785 -2.503 10.606 458 HE2 TYR 60 HE1 TYR 60 5.456 -4.069 12.111 459 HH TYR 60 HH TYR 60 3.207 -4.230 13.139 460 HB2 TYR 60 HB2 TYR 60 5.309 -0.692 7.964 461 HB3 TYR 60 HB1 TYR 60 6.760 -0.994 8.911 462 H ASP 61 HN ASP 61 4.650 2.040 11.355 463 HA ASP 61 HA ASP 61 6.786 1.356 13.259 464 HB2 ASP 61 HB2 ASP 61 6.429 3.795 12.811 465 HB3 ASP 61 HB1 ASP 61 4.782 3.628 13.410 466 HA PRO 62 HA PRO 62 3.960 -1.301 15.366 467 HB2 PRO 62 HB2 PRO 62 4.885 -0.940 17.942 468 HB3 PRO 62 HB1 PRO 62 5.591 -2.040 16.755 469 HG2 PRO 62 HG2 PRO 62 6.439 0.720 17.524 470 HG3 PRO 62 HG1 PRO 62 7.437 -0.704 17.179 471 HD2 PRO 62 HD2 PRO 62 7.131 1.252 15.383 472 HD3 PRO 62 HD1 PRO 62 7.223 -0.450 14.884 473 H SER 63 HN SER 63 4.079 2.081 15.987 474 HA SER 63 HA SER 63 1.849 2.039 17.843 475 HG SER 63 HG SER 63 4.708 3.656 17.468 476 HB2 SER 63 HB2 SER 63 2.988 4.423 16.374 477 HB3 SER 63 HB1 SER 63 2.023 4.433 17.850 478 H LEU 64 HN LEU 64 2.324 1.906 14.491 479 HA LEU 64 HA LEU 64 -0.310 2.979 13.823 480 HG LEU 64 HG LEU 64 2.109 4.294 12.980 481 HB2 LEU 64 HB2 LEU 64 1.943 1.878 12.141 482 HB3 LEU 64 HB1 LEU 64 0.387 2.330 11.476 483 HD11 LEU 64 HD11 LEU 64 2.049 3.779 10.009 484 HD12 LEU 64 HD12 LEU 64 3.393 3.414 11.090 485 HD13 LEU 64 HD13 LEU 64 2.911 5.089 10.820 486 HD21 LEU 64 HD21 LEU 64 -0.246 4.889 12.717 487 HD22 LEU 64 HD22 LEU 64 -0.124 4.628 10.975 488 HD23 LEU 64 HD23 LEU 64 0.783 5.934 11.735 489 H SER 65 HN SER 65 -1.920 1.720 12.875 490 HA SER 65 HA SER 65 -1.588 -1.196 13.071 491 HG SER 65 HG SER 65 -4.106 -2.078 14.777 492 HB2 SER 65 HB2 SER 65 -2.925 -0.367 14.990 493 HB3 SER 65 HB1 SER 65 -4.046 0.399 13.870 494 H TYR 66 HN TYR 66 -3.568 -2.232 11.806 495 HA TYR 66 HA TYR 66 -3.322 -1.341 9.120 496 HD1 TYR 66 HD1 TYR 66 -3.349 -3.625 7.192 497 HD2 TYR 66 HD2 TYR 66 -3.107 -4.578 11.333 498 HE1 TYR 66 HE1 TYR 66 -1.462 -5.130 6.729 499 HE2 TYR 66 HE2 TYR 66 -1.217 -6.085 10.877 500 HH TYR 66 HH TYR 66 -0.304 -7.378 8.970 501 HB2 TYR 66 HB2 TYR 66 -5.049 -3.431 10.433 502 HB3 TYR 66 HB1 TYR 66 -5.171 -3.073 8.713 503 H ASN 67 HN ASN 67 -5.304 -0.359 11.648 504 HA ASN 67 HA ASN 67 -7.386 0.705 9.892 505 HB2 ASN 67 HB2 ASN 67 -7.973 -0.419 12.058 506 HB3 ASN 67 HB1 ASN 67 -7.149 0.883 12.905 507 HD21 ASN 67 HD21 ASN 67 -8.941 1.579 13.967 508 HD22 ASN 67 HD22 ASN 67 -10.267 2.379 13.178 509 H GLN 68 HN GLN 68 -4.377 1.598 10.846 510 HA GLN 68 HA GLN 68 -5.045 4.464 10.769 511 HB2 GLN 68 HB2 GLN 68 -2.994 3.139 12.554 512 HB3 GLN 68 HB1 GLN 68 -3.162 4.877 12.343 513 HG2 GLN 68 HG2 GLN 68 -5.446 4.747 13.234 514 HG3 GLN 68 HG1 GLN 68 -5.233 3.015 13.479 515 HE21 GLN 68 HE21 GLN 68 -4.339 6.196 14.556 516 HE22 GLN 68 HE22 GLN 68 -3.621 5.705 16.050 517 H THR 69 HN THR 69 -3.220 5.832 10.050 518 HA THR 69 HA THR 69 -0.973 4.678 8.775 519 HB THR 69 HB THR 69 -2.568 3.776 7.210 520 HG1 THR 69 HG1 THR 69 -0.571 5.241 6.476 521 HG21 THR 69 HG21 THR 69 -4.091 5.185 5.890 522 HG22 THR 69 HG22 THR 69 -3.587 6.591 6.828 523 HG23 THR 69 HG23 THR 69 -4.443 5.267 7.617 524 H ASN 70 HN ASN 70 -1.722 6.880 6.582 525 HA ASN 70 HA ASN 70 -0.236 8.980 7.986 526 HB2 ASN 70 HB2 ASN 70 0.821 8.080 6.011 527 HB3 ASN 70 HB1 ASN 70 -0.648 8.265 5.068 528 HD21 ASN 70 HD21 ASN 70 2.170 9.837 6.347 529 HD22 ASN 70 HD22 ASN 70 1.974 11.321 5.478 530 HA PRO 71 HA PRO 71 -3.293 12.149 8.443 531 HB2 PRO 71 HB2 PRO 71 -1.991 13.369 6.036 532 HB3 PRO 71 HB1 PRO 71 -2.519 14.139 7.537 533 HG2 PRO 71 HG2 PRO 71 0.068 13.379 7.042 534 HG3 PRO 71 HG1 PRO 71 -0.625 13.530 8.663 535 HD2 PRO 71 HD2 PRO 71 0.262 11.134 7.314 536 HD3 PRO 71 HD1 PRO 71 -0.393 11.295 8.958 537 H THR 72 HN THR 72 -5.328 12.462 7.791 538 HA THR 72 HA THR 72 -6.532 10.688 6.081 539 HB THR 72 HB THR 72 -7.611 13.410 6.822 540 HG1 THR 72 HG1 THR 72 -6.881 11.513 8.413 541 HG21 THR 72 HG21 THR 72 -9.045 10.861 6.060 542 HG22 THR 72 HG22 THR 72 -8.901 12.294 5.044 543 HG23 THR 72 HG23 THR 72 -9.809 12.370 6.555 544 H GLY 73 HN GLY 73 -6.957 10.533 4.014 545 HA2 GLY 73 HA2 GLY 73 -7.246 11.600 1.798 546 HA3 GLY 73 HA1 GLY 73 -5.910 12.659 2.249 547 H CYS 74 HN CYS 74 -6.210 9.241 2.910 548 HA CYS 74 HA CYS 74 -3.801 8.755 1.317 549 HG CYS 74 HG CYS 74 -4.207 8.490 5.765 550 HB2 CYS 74 HB2 CYS 74 -3.298 7.043 3.167 551 HB3 CYS 74 HB1 CYS 74 -3.013 8.749 3.501 552 H LEU 75 HN LEU 75 -6.997 7.804 1.925 553 HA LEU 75 HA LEU 75 -6.619 5.099 0.953 554 HG LEU 75 HG LEU 75 -9.236 7.600 0.703 555 HB2 LEU 75 HB2 LEU 75 -9.048 4.907 1.085 556 HB3 LEU 75 HB1 LEU 75 -8.378 5.511 2.589 557 HD11 LEU 75 HD11 LEU 75 -11.604 7.311 1.195 558 HD12 LEU 75 HD12 LEU 75 -11.251 5.796 2.028 559 HD13 LEU 75 HD13 LEU 75 -10.962 5.938 0.293 560 HD21 LEU 75 HD21 LEU 75 -9.764 7.092 3.629 561 HD22 LEU 75 HD22 LEU 75 -10.133 8.576 2.748 562 HD23 LEU 75 HD23 LEU 75 -8.456 8.077 2.971 563 H TYR 76 HN TYR 76 -7.283 4.346 -1.094 564 HA TYR 76 HA TYR 76 -7.085 6.378 -3.127 565 HD1 TYR 76 HD2 TYR 76 -5.280 5.756 -5.281 566 HD2 TYR 76 HD1 TYR 76 -8.768 3.332 -5.437 567 HE1 TYR 76 HE2 TYR 76 -5.396 6.100 -7.716 568 HE2 TYR 76 HE1 TYR 76 -8.900 3.665 -7.869 569 HH TYR 76 HH TYR 76 -6.357 4.975 -9.698 570 HB2 TYR 76 HB2 TYR 76 -5.903 4.237 -3.411 571 HB3 TYR 76 HB1 TYR 76 -7.445 3.390 -3.448 572 H ASN 77 HN ASN 77 -8.869 7.575 -3.193 573 HA ASN 77 HA ASN 77 -11.358 6.219 -3.935 574 HB2 ASN 77 HB2 ASN 77 -12.371 8.547 -3.628 575 HB3 ASN 77 HB1 ASN 77 -11.840 7.720 -2.172 576 HD21 ASN 77 HD21 ASN 77 -11.627 9.574 -1.005 577 HD22 ASN 77 HD22 ASN 77 -10.377 10.728 -1.282 578 HA PRO 78 HA PRO 78 -10.794 7.027 -8.116 579 HB2 PRO 78 HB2 PRO 78 -13.561 7.975 -8.450 580 HB3 PRO 78 HB1 PRO 78 -12.771 6.543 -9.114 581 HG2 PRO 78 HG2 PRO 78 -14.599 6.360 -7.158 582 HG3 PRO 78 HG1 PRO 78 -13.202 5.269 -7.237 583 HD2 PRO 78 HD2 PRO 78 -13.636 7.674 -5.502 584 HD3 PRO 78 HD1 PRO 78 -12.915 6.103 -5.093 585 H LYS 79 HN LYS 79 -9.400 8.924 -7.713 586 HA LYS 79 HA LYS 79 -10.637 11.439 -8.554 587 HB2 LYS 79 HB2 LYS 79 -7.782 10.838 -7.748 588 HB3 LYS 79 HB1 LYS 79 -8.377 12.421 -8.220 589 HG2 LYS 79 HG2 LYS 79 -10.044 12.150 -6.293 590 HG3 LYS 79 HG1 LYS 79 -8.979 10.852 -5.744 591 HD2 LYS 79 HD2 LYS 79 -7.082 12.499 -5.881 592 HD3 LYS 79 HD1 LYS 79 -8.289 13.755 -6.162 593 HE2 LYS 79 HE2 LYS 79 -7.775 13.794 -3.848 594 HE3 LYS 79 HE1 LYS 79 -9.368 13.057 -4.006 595 HZ1 LYS 79 HZ1 LYS 79 -7.713 11.950 -2.459 596 HZ2 LYS 79 HZ2 LYS 79 -6.912 11.418 -3.849 597 HZ3 LYS 79 HZ3 LYS 79 -8.516 10.948 -3.563 598 H LEU 80 HN LEU 80 -11.088 9.941 -10.510 599 HA LEU 80 HA LEU 80 -8.894 9.568 -12.335 600 HG LEU 80 HG LEU 80 -9.349 7.963 -14.031 601 HB2 LEU 80 HB2 LEU 80 -11.027 8.131 -12.017 602 HB3 LEU 80 HB1 LEU 80 -11.813 9.335 -13.012 603 HD11 LEU 80 HD11 LEU 80 -12.159 6.870 -14.149 604 HD12 LEU 80 HD12 LEU 80 -10.812 6.169 -13.252 605 HD13 LEU 80 HD13 LEU 80 -10.764 6.225 -15.015 606 HD21 LEU 80 HD21 LEU 80 -10.407 8.358 -16.186 607 HD22 LEU 80 HD22 LEU 80 -10.290 9.866 -15.277 608 HD23 LEU 80 HD23 LEU 80 -11.832 9.019 -15.386 609 H GLU 81 HN GLU 81 -10.995 12.075 -11.518 610 HA GLU 81 HA GLU 81 -11.318 14.181 -12.294 611 HB2 GLU 81 HB2 GLU 81 -8.804 13.671 -13.118 612 HB3 GLU 81 HB1 GLU 81 -9.578 13.834 -14.683 613 HG2 GLU 81 HG2 GLU 81 -9.928 15.938 -12.591 614 HG3 GLU 81 HG1 GLU 81 -8.477 15.889 -13.588 615 H HIS 82 HN HIS 82 -12.313 15.336 -14.204 616 HA HIS 82 HA HIS 82 -14.005 15.480 -15.707 617 HD1 HIS 82 HD1 HIS 82 -10.642 13.474 -17.653 618 HD2 HIS 82 HD2 HIS 82 -13.516 16.423 -18.239 619 HE1 HIS 82 HE1 HIS 82 -9.553 15.198 -19.125 620 HE2 HIS 82 HE2 HIS 82 -11.383 16.860 -19.634 621 HB2 HIS 82 HB2 HIS 82 -12.793 12.881 -16.622 622 HB3 HIS 82 HB1 HIS 82 -14.187 13.594 -17.423 623 H HIS 83 HN HIS 83 -14.427 14.160 -13.090 624 HA HIS 83 HA HIS 83 -16.260 12.054 -13.362 625 HD1 HIS 83 HD1 HIS 83 -17.074 15.694 -11.935 626 HD2 HIS 83 HD2 HIS 83 -14.367 14.017 -9.267 627 HE1 HIS 83 HE1 HIS 83 -16.256 17.600 -10.517 628 HE2 HIS 83 HE2 HIS 83 -14.836 16.506 -8.746 629 HB2 HIS 83 HB2 HIS 83 -17.071 12.722 -11.064 630 HB3 HIS 83 HB1 HIS 83 -15.355 12.378 -11.191 631 H HIS 84 HN HIS 84 -18.343 11.936 -13.848 632 HA HIS 84 HA HIS 84 -19.502 14.150 -15.212 633 HD1 HIS 84 HD1 HIS 84 -20.887 13.421 -17.702 634 HD2 HIS 84 HD2 HIS 84 -23.410 12.214 -14.620 635 HE1 HIS 84 HE1 HIS 84 -23.221 13.925 -18.500 636 HE2 HIS 84 HE2 HIS 84 -24.737 12.992 -16.707 637 HB2 HIS 84 HB2 HIS 84 -19.817 11.789 -15.896 638 HB3 HIS 84 HB1 HIS 84 -20.766 11.512 -14.441 639 H HIS 85 HN HIS 85 -19.981 12.696 -12.058 640 HA HIS 85 HA HIS 85 -22.098 14.635 -11.460 641 HD1 HIS 85 HD1 HIS 85 -22.210 11.906 -7.597 642 HD2 HIS 85 HD2 HIS 85 -23.745 15.164 -9.680 643 HE1 HIS 85 HE1 HIS 85 -23.778 13.057 -6.002 644 HE2 HIS 85 HE2 HIS 85 -24.571 15.116 -7.226 645 HB2 HIS 85 HB2 HIS 85 -22.454 12.267 -10.801 646 HB3 HIS 85 HB1 HIS 85 -21.015 12.344 -9.793 647 H HIS 86 HN HIS 86 -21.667 16.459 -10.371 648 HA HIS 86 HA HIS 86 -19.022 16.653 -9.093 649 HD1 HIS 86 HD1 HIS 86 -21.078 20.649 -9.536 650 HD2 HIS 86 HD2 HIS 86 -21.260 17.945 -12.689 651 HE1 HIS 86 HE1 HIS 86 -22.969 21.437 -10.996 652 HE2 HIS 86 HE2 HIS 86 -23.197 19.660 -12.773 653 HB2 HIS 86 HB2 HIS 86 -19.084 19.102 -9.636 654 HB3 HIS 86 HB1 HIS 86 -18.935 18.041 -11.027 655 H HIS 87 HN HIS 87 -19.401 16.368 -7.039 656 HA HIS 87 HA HIS 87 -20.687 18.343 -5.475 657 HD1 HIS 87 HD1 HIS 87 -22.313 15.137 -3.188 658 HD2 HIS 87 HD2 HIS 87 -23.566 18.982 -4.176 659 HE1 HIS 87 HE1 HIS 87 -23.475 16.024 -1.140 660 HE2 HIS 87 HE2 HIS 87 -24.038 18.414 -1.694 661 HB2 HIS 87 HB2 HIS 87 -22.736 17.210 -6.236 662 HB3 HIS 87 HB1 HIS 87 -22.100 15.668 -5.672 Start of MODEL 6 1 HA MET 1 HA MET 1 -15.722 -5.004 -8.267 2 H1 MET 1 HT1 MET 1 -14.156 -5.258 -10.042 3 H2 MET 1 HT2 MET 1 -15.540 -6.182 -10.374 4 H3 MET 1 HT3 MET 1 -14.126 -6.942 -9.833 5 HB2 MET 1 HB2 MET 1 -15.513 -8.016 -8.076 6 HB3 MET 1 HB1 MET 1 -16.263 -7.001 -6.855 7 HG2 MET 1 HG2 MET 1 -17.164 -7.153 -9.718 8 HG3 MET 1 HG1 MET 1 -17.859 -8.097 -8.403 9 HE1 MET 1 HE1 MET 1 -20.249 -7.086 -9.198 10 HE2 MET 1 HE2 MET 1 -19.444 -6.102 -10.420 11 HE3 MET 1 HE3 MET 1 -20.578 -5.356 -9.294 12 H ALA 2 HN ALA 2 -13.690 -7.805 -7.490 13 HA ALA 2 HA ALA 2 -11.610 -6.090 -6.420 14 HB1 ALA 2 HB1 ALA 2 -11.646 -7.134 -4.206 15 HB2 ALA 2 HB2 ALA 2 -13.090 -8.041 -4.655 16 HB3 ALA 2 HB3 ALA 2 -13.154 -6.283 -4.536 17 H ASP 3 HN ASP 3 -10.396 -7.036 -8.090 18 HA ASP 3 HA ASP 3 -10.127 -9.849 -8.383 19 HB2 ASP 3 HB2 ASP 3 -9.669 -8.183 -10.180 20 HB3 ASP 3 HB1 ASP 3 -8.220 -7.694 -9.307 21 H TYR 4 HN TYR 4 -8.410 -7.427 -6.525 22 HA TYR 4 HA TYR 4 -6.768 -9.568 -5.353 23 HD1 TYR 4 HD2 TYR 4 -3.933 -9.328 -5.778 24 HD2 TYR 4 HD1 TYR 4 -6.099 -6.184 -7.661 25 HE1 TYR 4 HE2 TYR 4 -2.559 -9.599 -7.800 26 HE2 TYR 4 HE1 TYR 4 -4.729 -6.447 -9.686 27 HH TYR 4 HH TYR 4 -2.531 -7.324 -10.325 28 HB2 TYR 4 HB2 TYR 4 -6.341 -6.571 -5.315 29 HB3 TYR 4 HB1 TYR 4 -5.326 -7.738 -4.473 30 H ASN 5 HN ASN 5 -6.857 -9.940 -3.163 31 HA ASN 5 HA ASN 5 -9.378 -9.135 -1.981 32 HB2 ASN 5 HB2 ASN 5 -8.608 -11.505 -1.998 33 HB3 ASN 5 HB1 ASN 5 -7.290 -11.053 -0.924 34 HD21 ASN 5 HD21 ASN 5 -10.744 -11.450 -1.219 35 HD22 ASN 5 HD22 ASN 5 -11.071 -11.517 0.480 36 H ILE 6 HN ILE 6 -6.145 -8.137 -1.782 37 HA ILE 6 HA ILE 6 -6.137 -7.334 0.965 38 HB ILE 6 HB ILE 6 -4.083 -6.077 0.388 39 HG12 ILE 6 HG12 ILE 6 -4.543 -7.149 -2.408 40 HG13 ILE 6 HG11 ILE 6 -4.717 -5.463 -1.931 41 HG21 ILE 6 HG21 ILE 6 -2.715 -8.039 -0.154 42 HG22 ILE 6 HG22 ILE 6 -4.172 -8.914 -0.627 43 HG23 ILE 6 HG23 ILE 6 -3.949 -8.412 1.049 44 HD11 ILE 6 HD11 ILE 6 -2.347 -5.363 -1.384 45 HD12 ILE 6 HD12 ILE 6 -2.594 -5.875 -3.054 46 HD13 ILE 6 HD13 ILE 6 -2.167 -7.062 -1.820 47 HA PRO 7 HA PRO 7 -8.257 -3.488 1.038 48 HB2 PRO 7 HB2 PRO 7 -5.760 -2.299 2.160 49 HB3 PRO 7 HB1 PRO 7 -7.413 -2.243 2.783 50 HG2 PRO 7 HG2 PRO 7 -5.613 -3.845 3.898 51 HG3 PRO 7 HG1 PRO 7 -7.289 -4.382 3.680 52 HD2 PRO 7 HD2 PRO 7 -4.847 -5.110 2.124 53 HD3 PRO 7 HD1 PRO 7 -6.242 -6.112 2.570 54 H HIS 8 HN HIS 8 -8.540 -1.718 -0.249 55 HA HIS 8 HA HIS 8 -6.585 -1.422 -2.388 56 HD1 HIS 8 HD1 HIS 8 -11.154 -1.830 -3.352 57 HD2 HIS 8 HD2 HIS 8 -7.291 -3.339 -3.692 58 HE1 HIS 8 HE1 HIS 8 -11.403 -4.121 -4.373 59 HE2 HIS 8 HE2 HIS 8 -9.041 -4.910 -4.768 60 HB2 HIS 8 HB2 HIS 8 -9.427 -0.420 -2.165 61 HB3 HIS 8 HB1 HIS 8 -8.381 -0.172 -3.557 62 H PHE 9 HN PHE 9 -5.084 0.014 -2.093 63 HA PHE 9 HA PHE 9 -5.727 2.586 -0.847 64 HD1 PHE 9 HD1 PHE 9 -4.042 3.405 1.451 65 HD2 PHE 9 HD2 PHE 9 -3.650 -0.636 0.179 66 HE1 PHE 9 HE1 PHE 9 -4.256 2.655 3.785 67 HE2 PHE 9 HE2 PHE 9 -3.860 -1.394 2.511 68 HZ PHE 9 HZ PHE 9 -4.163 0.252 4.317 69 HB2 PHE 9 HB2 PHE 9 -3.088 1.187 -1.300 70 HB3 PHE 9 HB1 PHE 9 -3.211 2.861 -0.764 71 H GLN 10 HN GLN 10 -3.804 4.206 -1.953 72 HA GLN 10 HA GLN 10 -4.900 4.418 -4.680 73 HB2 GLN 10 HB2 GLN 10 -4.247 6.491 -2.596 74 HB3 GLN 10 HB1 GLN 10 -4.399 6.922 -4.292 75 HG2 GLN 10 HG2 GLN 10 -6.578 5.497 -2.798 76 HG3 GLN 10 HG1 GLN 10 -6.433 7.253 -2.819 77 HE21 GLN 10 HE21 GLN 10 -8.364 7.542 -3.889 78 HE22 GLN 10 HE22 GLN 10 -8.574 7.130 -5.557 79 H ASN 11 HN ASN 11 -3.382 6.503 -5.590 80 HA ASN 11 HA ASN 11 -1.159 5.017 -6.566 81 HB2 ASN 11 HB2 ASN 11 -2.592 6.666 -7.863 82 HB3 ASN 11 HB1 ASN 11 -1.730 7.950 -7.024 83 HD21 ASN 11 HD21 ASN 11 -1.855 7.296 -9.867 84 HD22 ASN 11 HD22 ASN 11 -0.221 7.062 -10.372 85 H ASP 12 HN ASP 12 0.871 5.009 -5.919 86 HA ASP 12 HA ASP 12 1.553 6.541 -3.554 87 HB2 ASP 12 HB2 ASP 12 3.509 5.018 -3.425 88 HB3 ASP 12 HB1 ASP 12 1.971 4.170 -3.449 89 H LEU 13 HN LEU 13 1.657 7.356 -6.611 90 HA LEU 13 HA LEU 13 4.376 8.401 -6.699 91 HG LEU 13 HG LEU 13 3.157 6.353 -8.573 92 HB2 LEU 13 HB2 LEU 13 2.076 8.588 -8.642 93 HB3 LEU 13 HB1 LEU 13 3.648 9.313 -8.915 94 HD11 LEU 13 HD11 LEU 13 2.173 7.218 -10.644 95 HD12 LEU 13 HD12 LEU 13 3.576 6.200 -10.967 96 HD13 LEU 13 HD13 LEU 13 3.718 7.955 -11.067 97 HD21 LEU 13 HD21 LEU 13 5.376 7.047 -7.858 98 HD22 LEU 13 HD22 LEU 13 5.614 7.900 -9.383 99 HD23 LEU 13 HD23 LEU 13 5.462 6.143 -9.371 100 H GLY 14 HN GLY 14 2.248 9.341 -4.755 101 HA2 GLY 14 HA2 GLY 14 2.080 12.162 -5.590 102 HA3 GLY 14 HA1 GLY 14 1.014 11.396 -4.424 103 H TYR 15 HN TYR 15 2.146 10.571 -2.418 104 HA TYR 15 HA TYR 15 3.823 12.742 -1.425 105 HD1 TYR 15 HD1 TYR 15 2.122 14.121 0.556 106 HD2 TYR 15 HD2 TYR 15 0.299 10.536 -0.832 107 HE1 TYR 15 HE1 TYR 15 -0.042 15.279 0.420 108 HE2 TYR 15 HE2 TYR 15 -1.869 11.683 -0.970 109 HH TYR 15 HH TYR 15 -2.157 15.094 -0.703 110 HB2 TYR 15 HB2 TYR 15 2.505 10.491 0.111 111 HB3 TYR 15 HB1 TYR 15 3.236 11.941 0.792 112 H LYS 16 HN LYS 16 5.948 12.477 -0.974 113 HA LYS 16 HA LYS 16 7.101 10.002 -1.886 114 HB2 LYS 16 HB2 LYS 16 8.404 12.571 -0.996 115 HB3 LYS 16 HB1 LYS 16 9.265 11.185 -1.662 116 HG2 LYS 16 HG2 LYS 16 7.634 11.436 -3.653 117 HG3 LYS 16 HG1 LYS 16 7.370 13.057 -3.012 118 HD2 LYS 16 HD2 LYS 16 9.738 13.543 -3.196 119 HD3 LYS 16 HD1 LYS 16 10.051 11.898 -3.759 120 HE2 LYS 16 HE2 LYS 16 8.478 12.371 -5.666 121 HE3 LYS 16 HE1 LYS 16 8.483 14.057 -5.153 122 HZ1 LYS 16 HZ1 LYS 16 10.832 12.477 -6.052 123 HZ2 LYS 16 HZ2 LYS 16 10.908 14.065 -5.465 124 HZ3 LYS 16 HZ3 LYS 16 10.072 13.731 -6.900 125 H ILE 17 HN ILE 17 6.116 11.101 1.105 126 HA ILE 17 HA ILE 17 7.500 8.812 2.307 127 HB ILE 17 HB ILE 17 7.206 11.504 3.666 128 HG12 ILE 17 HG12 ILE 17 9.688 9.975 2.844 129 HG13 ILE 17 HG11 ILE 17 9.081 11.438 2.076 130 HG21 ILE 17 HG21 ILE 17 8.365 10.449 5.563 131 HG22 ILE 17 HG22 ILE 17 8.296 8.898 4.725 132 HG23 ILE 17 HG23 ILE 17 6.806 9.696 5.227 133 HD11 ILE 17 HD11 ILE 17 10.066 11.224 4.911 134 HD12 ILE 17 HD12 ILE 17 9.485 12.690 4.120 135 HD13 ILE 17 HD13 ILE 17 10.957 11.904 3.550 136 H ILE 18 HN ILE 18 5.849 7.452 2.696 137 HA ILE 18 HA ILE 18 3.448 8.616 3.999 138 HB ILE 18 HB ILE 18 3.566 6.484 1.874 139 HG12 ILE 18 HG12 ILE 18 2.086 9.106 2.150 140 HG13 ILE 18 HG11 ILE 18 3.426 8.763 1.062 141 HG21 ILE 18 HG21 ILE 18 1.172 6.099 2.221 142 HG22 ILE 18 HG22 ILE 18 1.210 7.151 3.637 143 HG23 ILE 18 HG23 ILE 18 2.117 5.638 3.639 144 HD11 ILE 18 HD11 ILE 18 1.333 8.792 -0.142 145 HD12 ILE 18 HD12 ILE 18 0.671 7.557 0.929 146 HD13 ILE 18 HD13 ILE 18 2.012 7.164 -0.146 147 H GLU 19 HN GLU 19 2.850 7.766 5.885 148 HA GLU 19 HA GLU 19 4.202 5.383 6.875 149 HB2 GLU 19 HB2 GLU 19 2.300 7.333 8.194 150 HB3 GLU 19 HB1 GLU 19 2.935 5.908 8.995 151 HG2 GLU 19 HG2 GLU 19 4.253 7.670 9.750 152 HG3 GLU 19 HG1 GLU 19 5.240 6.854 8.542 153 H ILE 20 HN ILE 20 3.141 3.476 7.396 154 HA ILE 20 HA ILE 20 0.285 3.310 6.750 155 HB ILE 20 HB ILE 20 0.671 1.146 5.552 156 HG12 ILE 20 HG12 ILE 20 3.546 2.089 5.504 157 HG13 ILE 20 HG11 ILE 20 2.939 0.699 6.400 158 HG21 ILE 20 HG21 ILE 20 1.314 2.177 3.422 159 HG22 ILE 20 HG22 ILE 20 1.876 3.604 4.293 160 HG23 ILE 20 HG23 ILE 20 0.166 3.170 4.319 161 HD11 ILE 20 HD11 ILE 20 2.939 1.010 3.406 162 HD12 ILE 20 HD12 ILE 20 2.324 -0.381 4.300 163 HD13 ILE 20 HD13 ILE 20 4.042 0.013 4.353 164 H GLY 21 HN GLY 21 -0.767 1.424 7.618 165 HA2 GLY 21 HA2 GLY 21 0.551 0.468 10.050 166 HA3 GLY 21 HA1 GLY 21 -1.165 0.356 9.688 167 H VAL 22 HN VAL 22 -0.151 -0.595 6.898 168 HA VAL 22 HA VAL 22 -0.260 -3.398 7.574 169 HB VAL 22 HB VAL 22 -0.170 -3.767 5.104 170 HG11 VAL 22 HG11 VAL 22 -2.404 -2.848 4.654 171 HG12 VAL 22 HG12 VAL 22 -2.265 -1.838 6.092 172 HG13 VAL 22 HG13 VAL 22 -2.302 -3.593 6.250 173 HG21 VAL 22 HG21 VAL 22 1.106 -1.783 4.473 174 HG22 VAL 22 HG22 VAL 22 -0.230 -0.750 4.984 175 HG23 VAL 22 HG23 VAL 22 -0.432 -1.841 3.612 176 H LYS 23 HN LYS 23 1.343 -4.909 7.266 177 HA LYS 23 HA LYS 23 4.047 -3.795 7.205 178 HB2 LYS 23 HB2 LYS 23 3.125 -5.324 9.065 179 HB3 LYS 23 HB1 LYS 23 3.316 -6.629 7.905 180 HG2 LYS 23 HG2 LYS 23 5.621 -6.497 7.930 181 HG3 LYS 23 HG1 LYS 23 5.620 -4.832 8.516 182 HD2 LYS 23 HD2 LYS 23 4.824 -7.277 10.099 183 HD3 LYS 23 HD1 LYS 23 6.332 -6.375 10.272 184 HE2 LYS 23 HE2 LYS 23 4.995 -4.367 10.871 185 HE3 LYS 23 HE1 LYS 23 3.541 -5.362 10.814 186 HZ1 LYS 23 HZ1 LYS 23 4.201 -5.224 13.063 187 HZ2 LYS 23 HZ2 LYS 23 5.817 -5.584 12.702 188 HZ3 LYS 23 HZ3 LYS 23 4.627 -6.781 12.550 189 H GLU 24 HN GLU 24 1.868 -5.252 5.190 190 HA GLU 24 HA GLU 24 3.975 -5.763 3.215 191 HB2 GLU 24 HB2 GLU 24 1.496 -7.446 3.661 192 HB3 GLU 24 HB1 GLU 24 2.517 -7.561 2.238 193 HG2 GLU 24 HG2 GLU 24 4.408 -8.201 3.696 194 HG3 GLU 24 HG1 GLU 24 3.306 -8.184 5.075 195 H PHE 25 HN PHE 25 3.623 -4.649 1.352 196 HA PHE 25 HA PHE 25 0.915 -3.830 0.682 197 HD1 PHE 25 HD1 PHE 25 -0.597 -1.744 0.973 198 HD2 PHE 25 HD2 PHE 25 3.081 -0.254 -0.562 199 HE1 PHE 25 HE1 PHE 25 -1.833 -0.148 -0.431 200 HE2 PHE 25 HE2 PHE 25 1.851 1.349 -1.965 201 HZ PHE 25 HZ PHE 25 -0.609 1.400 -1.902 202 HB2 PHE 25 HB2 PHE 25 1.688 -2.026 2.157 203 HB3 PHE 25 HB1 PHE 25 3.118 -1.807 1.154 204 H MET 26 HN MET 26 0.649 -3.231 -1.458 205 HA MET 26 HA MET 26 2.969 -3.130 -3.204 206 HB2 MET 26 HB2 MET 26 2.229 -5.532 -3.096 207 HB3 MET 26 HB1 MET 26 0.667 -5.030 -3.726 208 HG2 MET 26 HG2 MET 26 1.633 -4.359 -5.795 209 HG3 MET 26 HG1 MET 26 3.265 -4.585 -5.166 210 HE1 MET 26 HE1 MET 26 3.084 -7.453 -7.784 211 HE2 MET 26 HE2 MET 26 3.987 -6.055 -7.199 212 HE3 MET 26 HE3 MET 26 2.398 -5.837 -7.933 213 H CYS 27 HN CYS 27 2.598 -1.771 -4.942 214 HA CYS 27 HA CYS 27 0.538 0.099 -4.837 215 HB2 CYS 27 HB2 CYS 27 2.121 -0.769 -7.271 216 HB3 CYS 27 HB1 CYS 27 1.223 0.734 -7.114 217 H VAL 28 HN VAL 28 -1.572 -0.081 -5.290 218 HA VAL 28 HA VAL 28 -2.755 -2.524 -5.832 219 HB VAL 28 HB VAL 28 -3.971 0.213 -6.216 220 HG11 VAL 28 HG11 VAL 28 -6.121 -0.914 -5.888 221 HG12 VAL 28 HG12 VAL 28 -5.294 -2.471 -5.824 222 HG13 VAL 28 HG13 VAL 28 -5.282 -1.528 -7.314 223 HG21 VAL 28 HG21 VAL 28 -4.838 -0.125 -3.938 224 HG22 VAL 28 HG22 VAL 28 -3.075 -0.086 -3.979 225 HG23 VAL 28 HG23 VAL 28 -3.922 -1.626 -3.825 226 H GLY 29 HN GLY 29 -2.549 0.258 -8.080 227 HA2 GLY 29 HA2 GLY 29 -1.737 -1.095 -10.302 228 HA3 GLY 29 HA1 GLY 29 -3.475 -1.351 -10.265 229 H ALA 30 HN ALA 30 -1.607 0.162 -12.062 230 HA ALA 30 HA ALA 30 -3.400 2.379 -12.494 231 HB1 ALA 30 HB1 ALA 30 -1.824 3.368 -10.891 232 HB2 ALA 30 HB2 ALA 30 -1.680 4.113 -12.483 233 HB3 ALA 30 HB3 ALA 30 -0.481 2.935 -11.950 234 H THR 31 HN THR 31 -0.031 1.770 -13.434 235 HA THR 31 HA THR 31 -0.946 1.361 -16.206 236 HB THR 31 HB THR 31 1.700 2.610 -15.480 237 HG1 THR 31 HG1 THR 31 0.588 4.641 -15.939 238 HG21 THR 31 HG21 THR 31 1.470 1.740 -17.759 239 HG22 THR 31 HG22 THR 31 1.561 3.502 -17.764 240 HG23 THR 31 HG23 THR 31 0.007 2.698 -17.984 241 H GLN 32 HN GLN 32 1.248 0.462 -13.656 242 HA GLN 32 HA GLN 32 2.662 -1.260 -13.308 243 HB2 GLN 32 HB2 GLN 32 0.868 -2.495 -15.385 244 HB3 GLN 32 HB1 GLN 32 2.231 -3.379 -14.712 245 HG2 GLN 32 HG2 GLN 32 0.298 -4.022 -13.509 246 HG3 GLN 32 HG1 GLN 32 1.261 -2.999 -12.448 247 HE21 GLN 32 HE21 GLN 32 -1.689 -3.338 -14.203 248 HE22 GLN 32 HE22 GLN 32 -2.477 -1.936 -13.556 249 HA PRO 33 HA PRO 33 5.415 -0.195 -16.822 250 HB2 PRO 33 HB2 PRO 33 7.269 1.167 -15.454 251 HB3 PRO 33 HB1 PRO 33 5.745 1.920 -15.940 252 HG2 PRO 33 HG2 PRO 33 6.571 0.862 -13.271 253 HG3 PRO 33 HG1 PRO 33 5.624 2.308 -13.661 254 HD2 PRO 33 HD2 PRO 33 4.569 -0.128 -12.844 255 HD3 PRO 33 HD1 PRO 33 3.670 1.142 -13.696 256 H PHE 34 HN PHE 34 5.533 -2.119 -14.112 257 HA PHE 34 HA PHE 34 8.025 -3.379 -14.989 258 HD1 PHE 34 HD1 PHE 34 10.459 -2.787 -14.020 259 HD2 PHE 34 HD2 PHE 34 7.571 -0.500 -11.893 260 HE1 PHE 34 HE1 PHE 34 11.937 -0.823 -14.137 261 HE2 PHE 34 HE2 PHE 34 9.037 1.471 -12.009 262 HZ PHE 34 HZ PHE 34 11.224 1.310 -13.132 263 HB2 PHE 34 HB2 PHE 34 7.278 -2.792 -12.109 264 HB3 PHE 34 HB1 PHE 34 8.614 -3.827 -12.599 265 H ASP 35 HN ASP 35 8.052 -5.467 -13.201 266 HA ASP 35 HA ASP 35 6.087 -7.188 -14.308 267 HB2 ASP 35 HB2 ASP 35 8.298 -8.023 -13.678 268 HB3 ASP 35 HB1 ASP 35 7.990 -7.623 -11.991 269 H HIS 36 HN HIS 36 4.031 -7.157 -13.771 270 HA HIS 36 HA HIS 36 2.110 -7.200 -12.576 271 HD1 HIS 36 HD1 HIS 36 4.568 -10.189 -10.129 272 HD2 HIS 36 HD2 HIS 36 1.313 -9.467 -12.619 273 HE1 HIS 36 HE1 HIS 36 3.984 -12.414 -11.154 274 HE2 HIS 36 HE2 HIS 36 2.094 -11.928 -12.756 275 HB2 HIS 36 HB2 HIS 36 4.022 -7.761 -10.302 276 HB3 HIS 36 HB1 HIS 36 2.274 -7.709 -10.085 277 HA PRO 37 HA PRO 37 0.911 -3.224 -10.902 278 HB2 PRO 37 HB2 PRO 37 0.754 -4.399 -8.151 279 HB3 PRO 37 HB1 PRO 37 -0.377 -3.322 -8.980 280 HG2 PRO 37 HG2 PRO 37 -0.895 -5.911 -8.820 281 HG3 PRO 37 HG1 PRO 37 -1.220 -5.025 -10.321 282 HD2 PRO 37 HD2 PRO 37 0.960 -6.945 -9.690 283 HD3 PRO 37 HD1 PRO 37 0.145 -6.627 -11.232 284 H HIS 38 HN HIS 38 2.874 -2.241 -11.248 285 HA HIS 38 HA HIS 38 4.918 -1.358 -10.921 286 HD2 HIS 38 HD2 HIS 38 6.813 -0.008 -10.562 287 HE1 HIS 38 HE1 HIS 38 7.570 1.973 -6.900 288 HE2 HIS 38 HE2 HIS 38 8.529 1.246 -9.095 289 HB2 HIS 38 HB2 HIS 38 3.594 0.210 -9.564 290 HB3 HIS 38 HB1 HIS 38 3.860 -0.796 -8.140 291 H ILE 39 HN ILE 39 4.914 -2.164 -7.514 292 HA ILE 39 HA ILE 39 6.666 -4.425 -7.945 293 HB ILE 39 HB ILE 39 8.080 -2.291 -8.014 294 HG12 ILE 39 HG12 ILE 39 9.874 -3.301 -6.637 295 HG13 ILE 39 HG11 ILE 39 8.696 -4.416 -5.952 296 HG21 ILE 39 HG21 ILE 39 8.699 -1.330 -5.842 297 HG22 ILE 39 HG22 ILE 39 7.462 -2.317 -5.064 298 HG23 ILE 39 HG23 ILE 39 6.995 -1.070 -6.222 299 HD11 ILE 39 HD11 ILE 39 9.526 -4.248 -8.837 300 HD12 ILE 39 HD12 ILE 39 8.303 -5.339 -8.189 301 HD13 ILE 39 HD13 ILE 39 9.984 -5.497 -7.680 302 H PHE 40 HN PHE 40 7.005 -5.656 -6.008 303 HA PHE 40 HA PHE 40 4.869 -5.290 -4.063 304 HD1 PHE 40 HD1 PHE 40 6.830 -7.701 -6.715 305 HD2 PHE 40 HD2 PHE 40 7.734 -8.159 -2.581 306 HE1 PHE 40 HE1 PHE 40 8.960 -8.780 -7.303 307 HE2 PHE 40 HE2 PHE 40 9.868 -9.233 -3.164 308 HZ PHE 40 HZ PHE 40 10.484 -9.546 -5.527 309 HB2 PHE 40 HB2 PHE 40 5.539 -7.561 -3.273 310 HB3 PHE 40 HB1 PHE 40 5.089 -7.521 -4.972 311 H ILE 41 HN ILE 41 5.170 -4.877 -1.916 312 HA ILE 41 HA ILE 41 7.934 -4.380 -1.018 313 HB ILE 41 HB ILE 41 5.538 -2.677 -0.314 314 HG12 ILE 41 HG12 ILE 41 7.809 -1.960 -2.174 315 HG13 ILE 41 HG11 ILE 41 6.252 -2.549 -2.743 316 HG21 ILE 41 HG21 ILE 41 8.492 -2.278 0.161 317 HG22 ILE 41 HG22 ILE 41 7.291 -2.701 1.382 318 HG23 ILE 41 HG23 ILE 41 7.219 -1.132 0.581 319 HD11 ILE 41 HD11 ILE 41 6.725 -0.035 -1.161 320 HD12 ILE 41 HD12 ILE 41 5.156 -0.622 -1.718 321 HD13 ILE 41 HD13 ILE 41 6.382 -0.137 -2.888 322 H ASP 42 HN ASP 42 8.431 -5.401 0.832 323 HA ASP 42 HA ASP 42 6.284 -5.894 2.772 324 HB2 ASP 42 HB2 ASP 42 7.088 -8.124 3.254 325 HB3 ASP 42 HB1 ASP 42 6.749 -8.011 1.533 326 H MET 43 HN MET 43 6.835 -5.488 4.855 327 HA MET 43 HA MET 43 9.332 -4.156 5.330 328 HB2 MET 43 HB2 MET 43 6.917 -4.781 6.984 329 HB3 MET 43 HB1 MET 43 8.401 -4.283 7.785 330 HG2 MET 43 HG2 MET 43 6.928 -2.396 7.432 331 HG3 MET 43 HG1 MET 43 8.416 -2.216 6.507 332 HE1 MET 43 HE1 MET 43 7.378 -0.314 5.080 333 HE2 MET 43 HE2 MET 43 5.850 -0.425 5.954 334 HE3 MET 43 HE3 MET 43 5.860 -0.440 4.191 335 H GLY 44 HN GLY 44 7.828 -6.950 6.938 336 HA2 GLY 44 HA2 GLY 44 8.761 -8.935 7.648 337 HA3 GLY 44 HA1 GLY 44 10.237 -8.493 6.802 338 H SER 45 HN SER 45 11.661 -6.940 7.861 339 HA SER 45 HA SER 45 11.478 -7.149 10.793 340 HG SER 45 HG SER 45 13.487 -7.117 11.872 341 HB2 SER 45 HB2 SER 45 13.311 -8.513 9.819 342 HB3 SER 45 HB1 SER 45 13.993 -7.052 9.107 343 H THR 46 HN THR 46 12.494 -5.134 8.060 344 HA THR 46 HA THR 46 13.010 -2.881 9.797 345 HB THR 46 HB THR 46 13.410 -1.705 7.562 346 HG1 THR 46 HG1 THR 46 13.791 -3.211 5.818 347 HG21 THR 46 HG21 THR 46 15.607 -2.750 7.284 348 HG22 THR 46 HG22 THR 46 15.079 -4.128 8.249 349 HG23 THR 46 HG23 THR 46 15.221 -2.534 8.991 350 H ASP 47 HN ASP 47 11.594 -1.353 10.299 351 HA ASP 47 HA ASP 47 8.867 -1.715 9.441 352 HB2 ASP 47 HB2 ASP 47 10.126 0.194 11.414 353 HB3 ASP 47 HB1 ASP 47 8.400 0.153 11.069 354 H GLU 48 HN GLU 48 11.469 0.304 8.500 355 HA GLU 48 HA GLU 48 9.561 1.924 6.970 356 HB2 GLU 48 HB2 GLU 48 11.668 3.626 7.163 357 HB3 GLU 48 HB1 GLU 48 10.248 3.668 8.195 358 HG2 GLU 48 HG2 GLU 48 12.172 3.843 9.577 359 HG3 GLU 48 HG1 GLU 48 11.468 2.248 9.832 360 H LYS 49 HN LYS 49 9.726 1.742 4.917 361 HA LYS 49 HA LYS 49 12.352 1.342 3.662 362 HB2 LYS 49 HB2 LYS 49 9.842 -0.252 3.207 363 HB3 LYS 49 HB1 LYS 49 11.015 -0.055 1.916 364 HG2 LYS 49 HG2 LYS 49 12.739 -1.046 3.397 365 HG3 LYS 49 HG1 LYS 49 11.478 -1.341 4.598 366 HD2 LYS 49 HD2 LYS 49 10.318 -2.818 3.122 367 HD3 LYS 49 HD1 LYS 49 11.365 -2.378 1.770 368 HE2 LYS 49 HE2 LYS 49 13.282 -3.360 2.962 369 HE3 LYS 49 HE1 LYS 49 12.205 -3.835 4.276 370 HZ1 LYS 49 HZ1 LYS 49 11.038 -5.299 2.823 371 HZ2 LYS 49 HZ2 LYS 49 12.690 -5.634 2.665 372 HZ3 LYS 49 HZ3 LYS 49 11.889 -4.750 1.469 373 H ILE 50 HN ILE 50 11.677 1.454 1.054 374 HA ILE 50 HA ILE 50 9.809 3.681 0.710 375 HB ILE 50 HB ILE 50 12.106 4.628 0.823 376 HG12 ILE 50 HG12 ILE 50 10.840 4.804 -1.921 377 HG13 ILE 50 HG11 ILE 50 10.335 5.722 -0.506 378 HG21 ILE 50 HG21 ILE 50 13.373 2.770 -0.051 379 HG22 ILE 50 HG22 ILE 50 13.672 4.207 -1.028 380 HG23 ILE 50 HG23 ILE 50 12.597 2.943 -1.626 381 HD11 ILE 50 HD11 ILE 50 12.516 6.821 -0.447 382 HD12 ILE 50 HD12 ILE 50 11.690 7.078 -1.984 383 HD13 ILE 50 HD13 ILE 50 13.008 5.911 -1.875 384 H CYS 51 HN CYS 51 8.950 3.820 -1.469 385 HA CYS 51 HA CYS 51 8.979 1.248 -2.842 386 HB2 CYS 51 HB2 CYS 51 6.806 2.378 -2.319 387 HB3 CYS 51 HB1 CYS 51 7.275 3.699 -3.381 388 HA PRO 52 HA PRO 52 12.146 3.161 -5.435 389 HB2 PRO 52 HB2 PRO 52 12.541 0.904 -6.957 390 HB3 PRO 52 HB1 PRO 52 13.340 1.211 -5.412 391 HG2 PRO 52 HG2 PRO 52 10.950 -0.478 -6.009 392 HG3 PRO 52 HG1 PRO 52 12.293 -0.789 -4.895 393 HD2 PRO 52 HD2 PRO 52 9.885 0.060 -4.032 394 HD3 PRO 52 HD1 PRO 52 11.397 0.548 -3.240 395 H TYR 53 HN TYR 53 11.893 4.265 -7.278 396 HA TYR 53 HA TYR 53 11.015 5.067 -9.208 397 HD1 TYR 53 HD2 TYR 53 12.145 4.215 -11.586 398 HD2 TYR 53 HD1 TYR 53 11.430 0.794 -9.157 399 HE1 TYR 53 HE2 TYR 53 14.294 3.262 -12.301 400 HE2 TYR 53 HE1 TYR 53 13.578 -0.167 -9.869 401 HH TYR 53 HH TYR 53 15.933 1.662 -11.575 402 HB2 TYR 53 HB2 TYR 53 9.705 2.354 -9.497 403 HB3 TYR 53 HB1 TYR 53 9.828 3.578 -10.755 404 H CYS 54 HN CYS 54 9.685 5.221 -6.605 405 HA CYS 54 HA CYS 54 7.219 6.378 -7.618 406 HB2 CYS 54 HB2 CYS 54 7.301 4.226 -5.529 407 HB3 CYS 54 HB1 CYS 54 6.073 5.480 -5.439 408 H SER 55 HN SER 55 9.293 5.818 -4.798 409 HA SER 55 HA SER 55 9.921 7.110 -3.048 410 HG SER 55 HG SER 55 10.962 7.805 -5.163 411 HB2 SER 55 HB2 SER 55 8.948 9.447 -4.713 412 HB3 SER 55 HB1 SER 55 9.997 9.543 -3.298 413 H THR 56 HN THR 56 8.623 6.537 -1.407 414 HA THR 56 HA THR 56 6.211 7.904 -0.776 415 HB THR 56 HB THR 56 5.722 4.993 -1.176 416 HG1 THR 56 HG1 THR 56 5.306 6.684 -3.409 417 HG21 THR 56 HG21 THR 56 4.041 7.454 -1.655 418 HG22 THR 56 HG22 THR 56 4.031 6.458 -0.198 419 HG23 THR 56 HG23 THR 56 3.474 5.785 -1.730 420 H LEU 57 HN LEU 57 8.576 7.583 0.546 421 HA LEU 57 HA LEU 57 9.470 5.365 1.731 422 HG LEU 57 HG LEU 57 11.406 5.859 3.148 423 HB2 LEU 57 HB2 LEU 57 10.229 7.810 1.995 424 HB3 LEU 57 HB1 LEU 57 9.158 7.861 3.379 425 HD11 LEU 57 HD11 LEU 57 12.711 7.356 4.570 426 HD12 LEU 57 HD12 LEU 57 11.439 8.572 4.463 427 HD13 LEU 57 HD13 LEU 57 12.340 8.108 3.020 428 HD21 LEU 57 HD21 LEU 57 11.173 5.726 5.572 429 HD22 LEU 57 HD22 LEU 57 9.650 5.325 4.776 430 HD23 LEU 57 HD23 LEU 57 9.866 6.909 5.523 431 H TYR 58 HN TYR 58 8.237 3.768 2.437 432 HA TYR 58 HA TYR 58 5.846 4.253 3.973 433 HD1 TYR 58 HD2 TYR 58 3.702 3.104 2.902 434 HD2 TYR 58 HD1 TYR 58 7.121 1.916 0.673 435 HE1 TYR 58 HE2 TYR 58 2.441 3.415 0.815 436 HE2 TYR 58 HE1 TYR 58 5.870 2.225 -1.418 437 HH TYR 58 HH TYR 58 2.890 3.832 -1.559 438 HB2 TYR 58 HB2 TYR 58 7.140 1.707 2.994 439 HB3 TYR 58 HB1 TYR 58 5.635 1.757 3.904 440 H ARG 59 HN ARG 59 6.148 4.779 6.002 441 HA ARG 59 HA ARG 59 8.002 3.143 7.595 442 HE ARG 59 HE ARG 59 7.224 7.465 9.056 443 HB2 ARG 59 HB2 ARG 59 8.621 5.490 7.597 444 HB3 ARG 59 HB1 ARG 59 6.989 5.955 8.051 445 HG2 ARG 59 HG2 ARG 59 7.252 4.879 10.207 446 HG3 ARG 59 HG1 ARG 59 8.868 4.333 9.755 447 HD2 ARG 59 HD2 ARG 59 8.851 6.365 11.189 448 HD3 ARG 59 HD1 ARG 59 9.667 6.584 9.642 449 HH11 ARG 59 HH11 ARG 59 9.282 8.136 11.812 450 HH12 ARG 59 HH12 ARG 59 8.642 9.735 12.052 451 HH21 ARG 59 HH21 ARG 59 6.413 9.562 9.335 452 HH22 ARG 59 HH22 ARG 59 7.005 10.552 10.648 453 H TYR 60 HN TYR 60 6.939 1.596 8.647 454 HA TYR 60 HA TYR 60 4.205 1.901 9.467 455 HD1 TYR 60 HD2 TYR 60 2.553 -0.018 9.995 456 HD2 TYR 60 HD1 TYR 60 6.005 -1.112 12.229 457 HE1 TYR 60 HE2 TYR 60 1.112 -0.934 11.763 458 HE2 TYR 60 HE1 TYR 60 4.571 -2.032 14.002 459 HH TYR 60 HH TYR 60 1.220 -2.537 13.591 460 HB2 TYR 60 HB2 TYR 60 4.960 -0.332 8.961 461 HB3 TYR 60 HB1 TYR 60 6.285 -0.201 10.115 462 H ASP 61 HN ASP 61 3.731 3.310 11.007 463 HA ASP 61 HA ASP 61 5.602 3.756 13.195 464 HB2 ASP 61 HB2 ASP 61 4.449 5.678 12.051 465 HB3 ASP 61 HB1 ASP 61 2.928 5.091 12.718 466 HA PRO 62 HA PRO 62 3.625 0.751 15.738 467 HB2 PRO 62 HB2 PRO 62 4.590 2.401 17.998 468 HB3 PRO 62 HB1 PRO 62 4.915 0.707 17.618 469 HG2 PRO 62 HG2 PRO 62 6.790 2.564 17.261 470 HG3 PRO 62 HG1 PRO 62 6.594 1.230 16.106 471 HD2 PRO 62 HD2 PRO 62 5.683 4.077 15.887 472 HD3 PRO 62 HD1 PRO 62 6.428 3.035 14.655 473 H SER 63 HN SER 63 2.796 4.099 15.811 474 HA SER 63 HA SER 63 0.657 3.716 17.747 475 HG SER 63 HG SER 63 3.005 6.090 17.106 476 HB2 SER 63 HB2 SER 63 1.162 6.146 16.020 477 HB3 SER 63 HB1 SER 63 0.242 6.062 17.523 478 H LEU 64 HN LEU 64 1.096 3.108 14.492 479 HA LEU 64 HA LEU 64 -1.666 3.733 13.748 480 HG LEU 64 HG LEU 64 0.990 5.081 12.761 481 HB2 LEU 64 HB2 LEU 64 0.635 2.739 12.065 482 HB3 LEU 64 HB1 LEU 64 -0.953 3.169 11.460 483 HD11 LEU 64 HD11 LEU 64 1.240 6.012 10.522 484 HD12 LEU 64 HD12 LEU 64 0.192 4.751 9.874 485 HD13 LEU 64 HD13 LEU 64 1.755 4.326 10.573 486 HD21 LEU 64 HD21 LEU 64 -1.333 5.719 13.143 487 HD22 LEU 64 HD22 LEU 64 -1.666 5.571 11.418 488 HD23 LEU 64 HD23 LEU 64 -0.559 6.815 11.999 489 H SER 65 HN SER 65 -3.119 2.192 13.085 490 HA SER 65 HA SER 65 -2.511 -0.574 13.787 491 HG SER 65 HG SER 65 -4.060 0.253 15.528 492 HB2 SER 65 HB2 SER 65 -5.153 0.634 12.926 493 HB3 SER 65 HB1 SER 65 -4.903 -0.937 13.689 494 H TYR 66 HN TYR 66 -3.455 -2.269 12.223 495 HA TYR 66 HA TYR 66 -2.154 -1.972 9.731 496 HD1 TYR 66 HD2 TYR 66 -2.027 -4.022 12.581 497 HD2 TYR 66 HD1 TYR 66 -1.545 -5.045 8.479 498 HE1 TYR 66 HE2 TYR 66 0.100 -5.138 13.113 499 HE2 TYR 66 HE1 TYR 66 0.581 -6.162 9.000 500 HH TYR 66 HH TYR 66 1.565 -6.840 12.210 501 HB2 TYR 66 HB2 TYR 66 -3.966 -4.043 10.905 502 HB3 TYR 66 HB1 TYR 66 -3.565 -4.117 9.192 503 H ASN 67 HN ASN 67 -5.266 -1.023 10.730 504 HA ASN 67 HA ASN 67 -6.339 -0.970 8.017 505 HB2 ASN 67 HB2 ASN 67 -7.747 -1.626 10.011 506 HB3 ASN 67 HB1 ASN 67 -7.620 0.039 10.568 507 HD21 ASN 67 HD21 ASN 67 -9.718 0.610 10.394 508 HD22 ASN 67 HD22 ASN 67 -10.588 0.672 8.902 509 H GLN 68 HN GLN 68 -4.287 0.887 9.760 510 HA GLN 68 HA GLN 68 -5.408 3.438 8.822 511 HB2 GLN 68 HB2 GLN 68 -3.636 2.800 11.172 512 HB3 GLN 68 HB1 GLN 68 -3.876 4.441 10.585 513 HG2 GLN 68 HG2 GLN 68 -6.107 2.621 11.457 514 HG3 GLN 68 HG1 GLN 68 -5.322 3.804 12.504 515 HE21 GLN 68 HE21 GLN 68 -8.102 3.554 11.497 516 HE22 GLN 68 HE22 GLN 68 -8.450 5.082 10.756 517 H THR 69 HN THR 69 -3.438 5.119 8.827 518 HA THR 69 HA THR 69 -1.041 4.262 7.584 519 HB THR 69 HB THR 69 -2.515 3.713 5.718 520 HG1 THR 69 HG1 THR 69 -0.428 5.030 5.421 521 HG21 THR 69 HG21 THR 69 -4.416 5.135 6.248 522 HG22 THR 69 HG22 THR 69 -3.882 5.417 4.590 523 HG23 THR 69 HG23 THR 69 -3.472 6.572 5.858 524 H ASN 70 HN ASN 70 -1.194 6.788 5.869 525 HA ASN 70 HA ASN 70 -0.720 8.713 8.035 526 HB2 ASN 70 HB2 ASN 70 0.664 9.910 6.518 527 HB3 ASN 70 HB1 ASN 70 1.029 8.221 6.211 528 HD21 ASN 70 HD21 ASN 70 -1.443 7.784 4.653 529 HD22 ASN 70 HD22 ASN 70 -1.176 8.571 3.142 530 HA PRO 71 HA PRO 71 -3.865 11.860 7.380 531 HB2 PRO 71 HB2 PRO 71 -2.752 12.568 4.691 532 HB3 PRO 71 HB1 PRO 71 -3.396 13.625 5.952 533 HG2 PRO 71 HG2 PRO 71 -0.706 13.085 5.559 534 HG3 PRO 71 HG1 PRO 71 -1.413 13.700 7.060 535 HD2 PRO 71 HD2 PRO 71 -0.159 11.173 6.641 536 HD3 PRO 71 HD1 PRO 71 -1.002 11.728 8.105 537 H THR 72 HN THR 72 -5.727 10.807 7.123 538 HA THR 72 HA THR 72 -5.958 8.668 5.322 539 HB THR 72 HB THR 72 -7.061 8.583 7.462 540 HG1 THR 72 HG1 THR 72 -8.474 7.319 6.572 541 HG21 THR 72 HG21 THR 72 -8.857 10.791 6.458 542 HG22 THR 72 HG22 THR 72 -7.665 10.920 7.752 543 HG23 THR 72 HG23 THR 72 -9.080 9.887 7.956 544 H GLY 73 HN GLY 73 -5.683 9.352 3.287 545 HA2 GLY 73 HA2 GLY 73 -8.148 9.881 1.913 546 HA3 GLY 73 HA1 GLY 73 -6.977 11.190 1.756 547 H CYS 74 HN CYS 74 -5.848 7.966 2.155 548 HA CYS 74 HA CYS 74 -4.896 7.985 -0.629 549 HG CYS 74 HG CYS 74 -2.723 5.341 -0.462 550 HB2 CYS 74 HB2 CYS 74 -3.147 8.330 1.133 551 HB3 CYS 74 HB1 CYS 74 -3.550 6.750 1.788 552 H LEU 75 HN LEU 75 -7.344 6.835 0.625 553 HA LEU 75 HA LEU 75 -6.925 3.975 0.129 554 HG LEU 75 HG LEU 75 -9.594 6.388 0.638 555 HB2 LEU 75 HB2 LEU 75 -9.189 3.700 1.085 556 HB3 LEU 75 HB1 LEU 75 -8.060 4.443 2.200 557 HD11 LEU 75 HD11 LEU 75 -11.023 4.573 2.573 558 HD12 LEU 75 HD12 LEU 75 -11.304 4.671 0.834 559 HD13 LEU 75 HD13 LEU 75 -11.676 6.051 1.867 560 HD21 LEU 75 HD21 LEU 75 -8.184 7.003 2.518 561 HD22 LEU 75 HD22 LEU 75 -9.122 5.960 3.585 562 HD23 LEU 75 HD23 LEU 75 -9.871 7.384 2.863 563 H TYR 76 HN TYR 76 -7.958 2.916 -1.528 564 HA TYR 76 HA TYR 76 -8.931 4.617 -3.668 565 HD1 TYR 76 HD2 TYR 76 -10.761 2.185 -5.395 566 HD2 TYR 76 HD1 TYR 76 -6.702 3.297 -6.028 567 HE1 TYR 76 HE2 TYR 76 -11.209 2.436 -7.799 568 HE2 TYR 76 HE1 TYR 76 -7.140 3.550 -8.433 569 HH TYR 76 HH TYR 76 -8.770 2.672 -10.109 570 HB2 TYR 76 HB2 TYR 76 -7.344 2.593 -3.923 571 HB3 TYR 76 HB1 TYR 76 -8.793 1.615 -3.745 572 H ASN 77 HN ASN 77 -10.929 5.324 -3.052 573 HA ASN 77 HA ASN 77 -12.964 3.276 -2.542 574 HB2 ASN 77 HB2 ASN 77 -14.369 5.084 -1.657 575 HB3 ASN 77 HB1 ASN 77 -12.828 5.018 -0.816 576 HD21 ASN 77 HD21 ASN 77 -11.276 6.652 -1.231 577 HD22 ASN 77 HD22 ASN 77 -11.755 8.184 -1.868 578 HA PRO 78 HA PRO 78 -14.389 3.876 -6.686 579 HB2 PRO 78 HB2 PRO 78 -16.916 2.695 -5.753 580 HB3 PRO 78 HB1 PRO 78 -15.773 2.089 -6.955 581 HG2 PRO 78 HG2 PRO 78 -16.049 0.922 -4.548 582 HG3 PRO 78 HG1 PRO 78 -14.486 1.002 -5.380 583 HD2 PRO 78 HD2 PRO 78 -15.523 2.687 -3.130 584 HD3 PRO 78 HD1 PRO 78 -13.902 2.000 -3.368 585 H LYS 79 HN LYS 79 -14.624 6.088 -6.810 586 HA LYS 79 HA LYS 79 -16.872 7.415 -5.560 587 HB2 LYS 79 HB2 LYS 79 -14.588 8.450 -5.830 588 HB3 LYS 79 HB1 LYS 79 -14.896 8.533 -7.559 589 HG2 LYS 79 HG2 LYS 79 -16.851 9.959 -7.115 590 HG3 LYS 79 HG1 LYS 79 -16.459 9.920 -5.395 591 HD2 LYS 79 HD2 LYS 79 -14.203 10.858 -6.005 592 HD3 LYS 79 HD1 LYS 79 -14.832 11.104 -7.635 593 HE2 LYS 79 HE2 LYS 79 -15.049 13.158 -6.406 594 HE3 LYS 79 HE1 LYS 79 -16.655 12.479 -6.669 595 HZ1 LYS 79 HZ1 LYS 79 -16.457 13.258 -4.417 596 HZ2 LYS 79 HZ2 LYS 79 -15.063 12.324 -4.165 597 HZ3 LYS 79 HZ3 LYS 79 -16.560 11.565 -4.401 598 H LEU 80 HN LEU 80 -16.046 5.997 -8.568 599 HA LEU 80 HA LEU 80 -18.051 7.296 -10.145 600 HG LEU 80 HG LEU 80 -18.491 5.020 -12.169 601 HB2 LEU 80 HB2 LEU 80 -15.983 6.314 -11.097 602 HB3 LEU 80 HB1 LEU 80 -16.552 4.720 -10.642 603 HD11 LEU 80 HD11 LEU 80 -18.426 6.820 -13.817 604 HD12 LEU 80 HD12 LEU 80 -17.019 7.514 -13.012 605 HD13 LEU 80 HD13 LEU 80 -18.572 7.456 -12.178 606 HD21 LEU 80 HD21 LEU 80 -15.771 5.322 -13.435 607 HD22 LEU 80 HD22 LEU 80 -17.219 4.700 -14.227 608 HD23 LEU 80 HD23 LEU 80 -16.499 3.814 -12.883 609 H GLU 81 HN GLU 81 -19.921 6.266 -11.028 610 HA GLU 81 HA GLU 81 -21.769 4.951 -11.088 611 HB2 GLU 81 HB2 GLU 81 -19.970 3.164 -9.491 612 HB3 GLU 81 HB1 GLU 81 -21.673 2.771 -9.659 613 HG2 GLU 81 HG2 GLU 81 -20.179 3.384 -12.137 614 HG3 GLU 81 HG1 GLU 81 -19.812 1.866 -11.317 615 H HIS 82 HN HIS 82 -23.688 4.968 -10.055 616 HA HIS 82 HA HIS 82 -23.756 5.781 -7.237 617 HD1 HIS 82 HD1 HIS 82 -26.394 8.363 -7.299 618 HD2 HIS 82 HD2 HIS 82 -24.184 7.363 -10.679 619 HE1 HIS 82 HE1 HIS 82 -25.787 10.552 -8.389 620 HE2 HIS 82 HE2 HIS 82 -24.517 9.916 -10.477 621 HB2 HIS 82 HB2 HIS 82 -25.978 5.414 -9.273 622 HB3 HIS 82 HB1 HIS 82 -26.231 5.915 -7.605 623 H HIS 83 HN HIS 83 -24.195 3.171 -9.389 624 HA HIS 83 HA HIS 83 -25.257 1.317 -7.469 625 HD1 HIS 83 HD1 HIS 83 -22.813 -0.829 -10.752 626 HD2 HIS 83 HD2 HIS 83 -25.847 -1.703 -8.042 627 HE1 HIS 83 HE1 HIS 83 -22.633 -3.301 -10.305 628 HE2 HIS 83 HE2 HIS 83 -24.572 -3.833 -8.784 629 HB2 HIS 83 HB2 HIS 83 -25.822 0.795 -9.686 630 HB3 HIS 83 HB1 HIS 83 -24.204 1.138 -10.281 631 H HIS 84 HN HIS 84 -24.062 0.588 -5.842 632 HA HIS 84 HA HIS 84 -21.224 0.001 -6.368 633 HD1 HIS 84 HD1 HIS 84 -22.150 3.686 -3.912 634 HD2 HIS 84 HD2 HIS 84 -19.417 1.741 -6.381 635 HE1 HIS 84 HE1 HIS 84 -20.783 5.503 -4.985 636 HE2 HIS 84 HE2 HIS 84 -19.283 4.313 -6.619 637 HB2 HIS 84 HB2 HIS 84 -22.472 1.215 -3.904 638 HB3 HIS 84 HB1 HIS 84 -20.878 0.469 -3.881 639 H HIS 85 HN HIS 85 -20.395 -1.530 -4.499 640 HA HIS 85 HA HIS 85 -22.048 -3.898 -4.853 641 HD1 HIS 85 HD1 HIS 85 -19.618 -6.137 -6.214 642 HD2 HIS 85 HD2 HIS 85 -20.434 -6.086 -2.139 643 HE1 HIS 85 HE1 HIS 85 -19.777 -8.546 -5.528 644 HE2 HIS 85 HE2 HIS 85 -20.061 -8.493 -3.025 645 HB2 HIS 85 HB2 HIS 85 -19.548 -3.848 -5.294 646 HB3 HIS 85 HB1 HIS 85 -19.322 -3.719 -3.554 647 H HIS 86 HN HIS 86 -23.630 -4.122 -3.394 648 HA HIS 86 HA HIS 86 -23.141 -3.379 -0.613 649 HD1 HIS 86 HD1 HIS 86 -26.702 -5.588 0.137 650 HD2 HIS 86 HD2 HIS 86 -25.273 -1.778 1.019 651 HE1 HIS 86 HE1 HIS 86 -27.482 -5.090 2.474 652 HE2 HIS 86 HE2 HIS 86 -26.516 -2.831 3.027 653 HB2 HIS 86 HB2 HIS 86 -25.278 -2.696 -1.698 654 HB3 HIS 86 HB1 HIS 86 -25.696 -4.396 -1.886 655 H HIS 87 HN HIS 87 -22.726 -4.803 0.946 656 HA HIS 87 HA HIS 87 -23.582 -7.574 0.542 657 HD1 HIS 87 HD1 HIS 87 -20.062 -7.792 3.506 658 HD2 HIS 87 HD2 HIS 87 -20.202 -4.826 0.593 659 HE1 HIS 87 HE1 HIS 87 -18.400 -6.050 4.229 660 HE2 HIS 87 HE2 HIS 87 -18.378 -4.351 2.366 661 HB2 HIS 87 HB2 HIS 87 -21.523 -8.419 1.618 662 HB3 HIS 87 HB1 HIS 87 -21.194 -7.602 0.099 Start of MODEL 7 1 HA MET 1 HA MET 1 -14.069 -16.993 -0.048 2 H1 MET 1 HT1 MET 1 -16.344 -16.056 0.110 3 H2 MET 1 HT2 MET 1 -15.682 -14.693 0.873 4 H3 MET 1 HT3 MET 1 -15.541 -16.224 1.589 5 HB2 MET 1 HB2 MET 1 -15.240 -15.871 -1.941 6 HB3 MET 1 HB1 MET 1 -14.518 -14.345 -1.451 7 HG2 MET 1 HG2 MET 1 -12.289 -15.289 -1.859 8 HG3 MET 1 HG1 MET 1 -13.041 -16.789 -2.399 9 HE1 MET 1 HE1 MET 1 -10.929 -15.214 -4.146 10 HE2 MET 1 HE2 MET 1 -11.688 -15.273 -5.738 11 HE3 MET 1 HE3 MET 1 -11.722 -16.690 -4.689 12 H ALA 2 HN ALA 2 -11.837 -16.652 0.165 13 HA ALA 2 HA ALA 2 -11.038 -14.631 2.070 14 HB1 ALA 2 HB1 ALA 2 -10.033 -16.857 2.170 15 HB2 ALA 2 HB2 ALA 2 -8.806 -15.628 1.866 16 HB3 ALA 2 HB3 ALA 2 -9.380 -16.644 0.544 17 H ASP 3 HN ASP 3 -11.123 -12.628 1.226 18 HA ASP 3 HA ASP 3 -10.132 -12.171 -1.474 19 HB2 ASP 3 HB2 ASP 3 -11.008 -9.780 -0.976 20 HB3 ASP 3 HB1 ASP 3 -12.168 -11.072 -1.245 21 H TYR 4 HN TYR 4 -9.881 -9.881 1.219 22 HA TYR 4 HA TYR 4 -7.001 -10.083 1.287 23 HD1 TYR 4 HD2 TYR 4 -8.579 -6.149 1.481 24 HD2 TYR 4 HD1 TYR 4 -8.994 -8.522 -2.024 25 HE1 TYR 4 HE2 TYR 4 -10.478 -4.758 0.771 26 HE2 TYR 4 HE1 TYR 4 -10.888 -7.135 -2.747 27 HH TYR 4 HH TYR 4 -12.604 -5.649 -1.682 28 HB2 TYR 4 HB2 TYR 4 -6.731 -7.631 0.644 29 HB3 TYR 4 HB1 TYR 4 -7.059 -8.755 -0.667 30 H ASN 5 HN ASN 5 -6.081 -9.013 3.035 31 HA ASN 5 HA ASN 5 -7.985 -8.162 5.076 32 HB2 ASN 5 HB2 ASN 5 -6.273 -9.797 5.712 33 HB3 ASN 5 HB1 ASN 5 -5.005 -8.670 5.244 34 HD21 ASN 5 HD21 ASN 5 -7.470 -9.396 7.599 35 HD22 ASN 5 HD22 ASN 5 -6.902 -8.304 8.816 36 H ILE 6 HN ILE 6 -5.368 -6.903 3.119 37 HA ILE 6 HA ILE 6 -5.247 -4.383 4.500 38 HB ILE 6 HB ILE 6 -3.730 -3.709 2.636 39 HG12 ILE 6 HG12 ILE 6 -4.138 -6.567 1.720 40 HG13 ILE 6 HG11 ILE 6 -4.727 -5.140 0.877 41 HG21 ILE 6 HG21 ILE 6 -2.869 -4.693 4.687 42 HG22 ILE 6 HG22 ILE 6 -1.904 -5.197 3.299 43 HG23 ILE 6 HG23 ILE 6 -3.073 -6.309 4.011 44 HD11 ILE 6 HD11 ILE 6 -1.846 -5.875 1.348 45 HD12 ILE 6 HD12 ILE 6 -2.405 -4.404 0.554 46 HD13 ILE 6 HD13 ILE 6 -2.725 -5.977 -0.177 47 HA PRO 7 HA PRO 7 -8.399 -2.338 2.227 48 HB2 PRO 7 HB2 PRO 7 -7.318 0.257 2.704 49 HB3 PRO 7 HB1 PRO 7 -8.547 -0.590 3.643 50 HG2 PRO 7 HG2 PRO 7 -5.984 0.031 4.524 51 HG3 PRO 7 HG1 PRO 7 -7.055 -1.178 5.247 52 HD2 PRO 7 HD2 PRO 7 -4.761 -1.546 3.386 53 HD3 PRO 7 HD1 PRO 7 -5.319 -2.580 4.719 54 H HIS 8 HN HIS 8 -8.635 -0.245 0.756 55 HA HIS 8 HA HIS 8 -6.901 -0.705 -1.549 56 HD1 HIS 8 HD1 HIS 8 -8.803 -1.362 -4.085 57 HD2 HIS 8 HD2 HIS 8 -10.872 -1.378 -0.474 58 HE1 HIS 8 HE1 HIS 8 -10.354 -3.337 -4.199 59 HE2 HIS 8 HE2 HIS 8 -11.443 -3.445 -1.926 60 HB2 HIS 8 HB2 HIS 8 -9.424 0.933 -1.229 61 HB3 HIS 8 HB1 HIS 8 -8.527 0.790 -2.734 62 H PHE 9 HN PHE 9 -5.302 0.626 -2.118 63 HA PHE 9 HA PHE 9 -4.875 2.990 -0.433 64 HD1 PHE 9 HD1 PHE 9 -3.243 2.145 1.521 65 HD2 PHE 9 HD2 PHE 9 -1.133 3.500 -1.918 66 HE1 PHE 9 HE1 PHE 9 -1.774 3.493 2.958 67 HE2 PHE 9 HE2 PHE 9 0.338 4.851 -0.485 68 HZ PHE 9 HZ PHE 9 0.020 4.847 1.956 69 HB2 PHE 9 HB2 PHE 9 -3.248 0.911 -0.723 70 HB3 PHE 9 HB1 PHE 9 -2.721 1.814 -2.138 71 H GLN 10 HN GLN 10 -3.113 4.456 -1.783 72 HA GLN 10 HA GLN 10 -4.522 5.271 -4.246 73 HB2 GLN 10 HB2 GLN 10 -3.096 6.835 -2.108 74 HB3 GLN 10 HB1 GLN 10 -3.291 7.505 -3.717 75 HG2 GLN 10 HG2 GLN 10 -5.645 6.528 -2.148 76 HG3 GLN 10 HG1 GLN 10 -4.977 8.141 -1.901 77 HE21 GLN 10 HE21 GLN 10 -6.728 6.069 -4.014 78 HE22 GLN 10 HE22 GLN 10 -7.211 7.283 -5.145 79 H ASN 11 HN ASN 11 -2.882 6.697 -5.628 80 HA ASN 11 HA ASN 11 -0.722 4.899 -6.284 81 HB2 ASN 11 HB2 ASN 11 -1.681 7.465 -7.560 82 HB3 ASN 11 HB1 ASN 11 -0.290 6.562 -8.146 83 HD21 ASN 11 HD21 ASN 11 -3.744 6.594 -7.781 84 HD22 ASN 11 HD22 ASN 11 -4.072 5.307 -8.888 85 H ASP 12 HN ASP 12 1.463 5.518 -6.493 86 HA ASP 12 HA ASP 12 2.580 6.419 -4.140 87 HB2 ASP 12 HB2 ASP 12 3.983 6.641 -6.792 88 HB3 ASP 12 HB1 ASP 12 4.689 6.316 -5.217 89 H LEU 13 HN LEU 13 1.873 8.242 -7.043 90 HA LEU 13 HA LEU 13 3.695 10.351 -6.526 91 HG LEU 13 HG LEU 13 2.992 8.486 -8.910 92 HB2 LEU 13 HB2 LEU 13 1.343 10.262 -8.407 93 HB3 LEU 13 HB1 LEU 13 2.635 11.448 -8.441 94 HD11 LEU 13 HD11 LEU 13 3.377 9.103 -11.240 95 HD12 LEU 13 HD12 LEU 13 2.994 10.783 -10.861 96 HD13 LEU 13 HD13 LEU 13 1.751 9.540 -10.719 97 HD21 LEU 13 HD21 LEU 13 5.250 9.073 -9.597 98 HD22 LEU 13 HD22 LEU 13 4.962 9.565 -7.928 99 HD23 LEU 13 HD23 LEU 13 4.941 10.768 -9.216 100 H GLY 14 HN GLY 14 1.021 9.681 -4.824 101 HA2 GLY 14 HA2 GLY 14 -0.105 12.318 -4.591 102 HA3 GLY 14 HA1 GLY 14 -0.427 10.948 -3.536 103 H TYR 15 HN TYR 15 2.083 10.337 -2.605 104 HA TYR 15 HA TYR 15 3.133 12.771 -1.367 105 HD1 TYR 15 HD1 TYR 15 1.465 13.983 0.793 106 HD2 TYR 15 HD2 TYR 15 -0.051 10.149 -0.266 107 HE1 TYR 15 HE1 TYR 15 -0.834 14.838 0.985 108 HE2 TYR 15 HE2 TYR 15 -2.348 10.998 -0.077 109 HH TYR 15 HH TYR 15 -3.055 14.335 0.190 110 HB2 TYR 15 HB2 TYR 15 2.255 10.410 0.315 111 HB3 TYR 15 HB1 TYR 15 2.887 11.947 0.889 112 H LYS 16 HN LYS 16 5.319 12.616 -0.937 113 HA LYS 16 HA LYS 16 6.627 10.283 -2.032 114 HB2 LYS 16 HB2 LYS 16 7.688 12.893 -0.975 115 HB3 LYS 16 HB1 LYS 16 8.742 11.580 -1.483 116 HG2 LYS 16 HG2 LYS 16 7.557 11.659 -3.713 117 HG3 LYS 16 HG1 LYS 16 6.822 13.166 -3.159 118 HD2 LYS 16 HD2 LYS 16 9.037 14.138 -2.831 119 HD3 LYS 16 HD1 LYS 16 9.784 12.627 -3.349 120 HE2 LYS 16 HE2 LYS 16 9.798 14.222 -5.171 121 HE3 LYS 16 HE1 LYS 16 8.724 12.877 -5.554 122 HZ1 LYS 16 HZ1 LYS 16 7.815 15.109 -6.097 123 HZ2 LYS 16 HZ2 LYS 16 7.790 15.463 -4.440 124 HZ3 LYS 16 HZ3 LYS 16 6.831 14.206 -5.051 125 H ILE 17 HN ILE 17 5.560 11.111 1.027 126 HA ILE 17 HA ILE 17 7.177 8.949 2.168 127 HB ILE 17 HB ILE 17 6.655 11.578 3.584 128 HG12 ILE 17 HG12 ILE 17 9.260 10.330 2.669 129 HG13 ILE 17 HG11 ILE 17 8.468 11.702 1.906 130 HG21 ILE 17 HG21 ILE 17 7.968 10.620 5.423 131 HG22 ILE 17 HG22 ILE 17 8.084 9.096 4.543 132 HG23 ILE 17 HG23 ILE 17 6.515 9.673 5.103 133 HD11 ILE 17 HD11 ILE 17 9.587 11.633 4.697 134 HD12 ILE 17 HD12 ILE 17 8.760 13.004 3.959 135 HD13 ILE 17 HD13 ILE 17 10.298 12.444 3.301 136 H ILE 18 HN ILE 18 5.691 7.428 2.589 137 HA ILE 18 HA ILE 18 3.114 8.333 3.741 138 HB ILE 18 HB ILE 18 3.754 5.865 2.127 139 HG12 ILE 18 HG12 ILE 18 3.371 7.986 0.895 140 HG13 ILE 18 HG11 ILE 18 2.143 6.770 0.557 141 HG21 ILE 18 HG21 ILE 18 1.420 5.205 2.403 142 HG22 ILE 18 HG22 ILE 18 1.158 6.559 3.502 143 HG23 ILE 18 HG23 ILE 18 2.253 5.253 3.956 144 HD11 ILE 18 HD11 ILE 18 1.163 8.974 0.817 145 HD12 ILE 18 HD12 ILE 18 1.848 9.101 2.437 146 HD13 ILE 18 HD13 ILE 18 0.616 7.886 2.093 147 H GLU 19 HN GLU 19 2.604 7.804 5.726 148 HA GLU 19 HA GLU 19 4.125 5.810 7.208 149 HB2 GLU 19 HB2 GLU 19 1.865 7.659 8.028 150 HB3 GLU 19 HB1 GLU 19 2.717 6.580 9.120 151 HG2 GLU 19 HG2 GLU 19 4.305 8.548 7.564 152 HG3 GLU 19 HG1 GLU 19 3.337 9.126 8.918 153 H ILE 20 HN ILE 20 3.265 3.806 7.787 154 HA ILE 20 HA ILE 20 0.436 3.327 7.176 155 HB ILE 20 HB ILE 20 1.036 1.101 6.169 156 HG12 ILE 20 HG12 ILE 20 3.771 2.363 5.900 157 HG13 ILE 20 HG11 ILE 20 3.367 1.009 6.954 158 HG21 ILE 20 HG21 ILE 20 0.235 2.929 4.799 159 HG22 ILE 20 HG22 ILE 20 1.461 1.999 3.937 160 HG23 ILE 20 HG23 ILE 20 1.877 3.558 4.648 161 HD11 ILE 20 HD11 ILE 20 3.234 1.025 3.947 162 HD12 ILE 20 HD12 ILE 20 2.786 -0.327 4.989 163 HD13 ILE 20 HD13 ILE 20 4.456 0.235 4.942 164 H GLY 21 HN GLY 21 -0.428 1.399 8.125 165 HA2 GLY 21 HA2 GLY 21 1.139 0.399 10.420 166 HA3 GLY 21 HA1 GLY 21 -0.608 0.616 10.455 167 H VAL 22 HN VAL 22 0.845 -0.548 7.573 168 HA VAL 22 HA VAL 22 -0.223 -3.235 8.122 169 HB VAL 22 HB VAL 22 -0.547 -3.497 5.702 170 HG11 VAL 22 HG11 VAL 22 -2.425 -1.954 5.428 171 HG12 VAL 22 HG12 VAL 22 -1.840 -1.000 6.791 172 HG13 VAL 22 HG13 VAL 22 -2.395 -2.654 7.047 173 HG21 VAL 22 HG21 VAL 22 0.372 -0.629 5.522 174 HG22 VAL 22 HG22 VAL 22 -0.366 -1.542 4.207 175 HG23 VAL 22 HG23 VAL 22 1.197 -2.040 4.859 176 H LYS 23 HN LYS 23 1.010 -5.039 7.400 177 HA LYS 23 HA LYS 23 3.869 -4.431 7.340 178 HB2 LYS 23 HB2 LYS 23 2.315 -6.929 7.963 179 HB3 LYS 23 HB1 LYS 23 4.060 -6.939 7.755 180 HG2 LYS 23 HG2 LYS 23 4.299 -5.360 9.592 181 HG3 LYS 23 HG1 LYS 23 2.548 -5.322 9.797 182 HD2 LYS 23 HD2 LYS 23 2.494 -7.611 10.450 183 HD3 LYS 23 HD1 LYS 23 4.178 -7.845 9.979 184 HE2 LYS 23 HE2 LYS 23 3.975 -7.682 12.390 185 HE3 LYS 23 HE1 LYS 23 4.889 -6.320 11.747 186 HZ1 LYS 23 HZ1 LYS 23 2.912 -4.944 11.951 187 HZ2 LYS 23 HZ2 LYS 23 3.311 -5.631 13.444 188 HZ3 LYS 23 HZ3 LYS 23 2.020 -6.258 12.539 189 H GLU 24 HN GLU 24 1.435 -5.297 5.171 190 HA GLU 24 HA GLU 24 3.427 -6.026 3.173 191 HB2 GLU 24 HB2 GLU 24 2.016 -7.918 2.374 192 HB3 GLU 24 HB1 GLU 24 2.711 -8.185 3.967 193 HG2 GLU 24 HG2 GLU 24 0.572 -7.563 4.992 194 HG3 GLU 24 HG1 GLU 24 -0.117 -7.332 3.387 195 H PHE 25 HN PHE 25 3.081 -5.029 1.300 196 HA PHE 25 HA PHE 25 0.466 -4.693 0.192 197 HD1 PHE 25 HD2 PHE 25 -1.470 -2.986 -0.110 198 HD2 PHE 25 HD1 PHE 25 2.051 -0.631 -0.531 199 HE1 PHE 25 HE2 PHE 25 -2.582 -1.635 -1.839 200 HE2 PHE 25 HE1 PHE 25 0.944 0.723 -2.260 201 HZ PHE 25 HZ PHE 25 -1.376 0.219 -2.915 202 HB2 PHE 25 HB2 PHE 25 0.397 -2.787 1.704 203 HB3 PHE 25 HB1 PHE 25 1.964 -2.233 1.126 204 H MET 26 HN MET 26 0.627 -4.634 -2.016 205 HA MET 26 HA MET 26 3.296 -4.113 -3.126 206 HB2 MET 26 HB2 MET 26 2.230 -6.306 -3.703 207 HB3 MET 26 HB1 MET 26 0.947 -5.419 -4.519 208 HG2 MET 26 HG2 MET 26 2.522 -4.497 -6.092 209 HG3 MET 26 HG1 MET 26 3.868 -5.240 -5.232 210 HE1 MET 26 HE1 MET 26 4.918 -6.478 -7.208 211 HE2 MET 26 HE2 MET 26 3.787 -5.614 -8.246 212 HE3 MET 26 HE3 MET 26 3.999 -7.356 -8.433 213 H CYS 27 HN CYS 27 3.657 -2.336 -4.236 214 HA CYS 27 HA CYS 27 1.934 -0.171 -4.233 215 HB2 CYS 27 HB2 CYS 27 4.307 0.134 -4.473 216 HB3 CYS 27 HB1 CYS 27 4.325 -0.779 -5.975 217 H VAL 28 HN VAL 28 0.178 0.282 -5.344 218 HA VAL 28 HA VAL 28 -0.480 -1.271 -7.712 219 HB VAL 28 HB VAL 28 -2.191 -1.075 -5.972 220 HG11 VAL 28 HG11 VAL 28 -3.305 1.065 -5.520 221 HG12 VAL 28 HG12 VAL 28 -2.115 1.887 -6.530 222 HG13 VAL 28 HG13 VAL 28 -1.607 1.086 -5.043 223 HG21 VAL 28 HG21 VAL 28 -4.067 -0.331 -7.371 224 HG22 VAL 28 HG22 VAL 28 -2.938 -1.349 -8.264 225 HG23 VAL 28 HG23 VAL 28 -2.925 0.399 -8.499 226 H GLY 29 HN GLY 29 -0.643 -0.459 -9.733 227 HA2 GLY 29 HA2 GLY 29 -0.097 2.423 -10.080 228 HA3 GLY 29 HA1 GLY 29 0.578 1.191 -11.140 229 H ALA 30 HN ALA 30 -2.408 2.727 -10.094 230 HA ALA 30 HA ALA 30 -4.013 1.347 -12.046 231 HB1 ALA 30 HB1 ALA 30 -4.686 3.695 -10.276 232 HB2 ALA 30 HB2 ALA 30 -4.966 1.994 -9.901 233 HB3 ALA 30 HB3 ALA 30 -5.838 2.758 -11.230 234 H THR 31 HN THR 31 -2.960 4.718 -11.601 235 HA THR 31 HA THR 31 -3.923 5.372 -14.259 236 HB THR 31 HB THR 31 -3.009 7.688 -13.619 237 HG1 THR 31 HG1 THR 31 -1.725 6.830 -11.841 238 HG21 THR 31 HG21 THR 31 -4.986 8.184 -12.259 239 HG22 THR 31 HG22 THR 31 -5.232 6.459 -11.983 240 HG23 THR 31 HG23 THR 31 -5.392 7.125 -13.608 241 H GLN 32 HN GLN 32 -2.611 4.443 -15.719 242 HA GLN 32 HA GLN 32 -0.846 4.159 -17.103 243 HB2 GLN 32 HB2 GLN 32 -0.742 6.723 -16.757 244 HB3 GLN 32 HB1 GLN 32 0.621 6.387 -15.704 245 HG2 GLN 32 HG2 GLN 32 0.511 5.463 -18.563 246 HG3 GLN 32 HG1 GLN 32 1.140 7.039 -18.092 247 HE21 GLN 32 HE21 GLN 32 1.714 3.649 -18.204 248 HE22 GLN 32 HE22 GLN 32 3.339 3.681 -17.624 249 HA PRO 33 HA PRO 33 1.140 1.600 -13.878 250 HB2 PRO 33 HB2 PRO 33 1.344 -0.611 -15.454 251 HB3 PRO 33 HB1 PRO 33 -0.114 -0.197 -14.546 252 HG2 PRO 33 HG2 PRO 33 0.509 0.257 -17.437 253 HG3 PRO 33 HG1 PRO 33 -0.998 -0.304 -16.692 254 HD2 PRO 33 HD2 PRO 33 -0.648 2.250 -17.504 255 HD3 PRO 33 HD1 PRO 33 -1.646 1.827 -16.099 256 H PHE 34 HN PHE 34 3.264 1.316 -13.538 257 HA PHE 34 HA PHE 34 5.132 2.291 -15.500 258 HD1 PHE 34 HD2 PHE 34 6.217 4.449 -14.300 259 HD2 PHE 34 HD1 PHE 34 4.220 2.225 -11.270 260 HE1 PHE 34 HE2 PHE 34 5.427 6.546 -13.287 261 HE2 PHE 34 HE1 PHE 34 3.426 4.321 -10.252 262 HZ PHE 34 HZ PHE 34 4.029 6.482 -11.261 263 HB2 PHE 34 HB2 PHE 34 5.642 1.127 -12.746 264 HB3 PHE 34 HB1 PHE 34 6.796 2.032 -13.721 265 H ASP 35 HN ASP 35 3.900 0.048 -16.456 266 HA ASP 35 HA ASP 35 4.183 -1.975 -17.402 267 HB2 ASP 35 HB2 ASP 35 6.464 -1.093 -17.999 268 HB3 ASP 35 HB1 ASP 35 7.079 -1.864 -16.538 269 H HIS 36 HN HIS 36 3.233 -3.635 -16.500 270 HA HIS 36 HA HIS 36 2.557 -5.202 -14.978 271 HD1 HIS 36 HD1 HIS 36 4.453 -8.141 -14.128 272 HD2 HIS 36 HD2 HIS 36 6.277 -5.141 -16.351 273 HE1 HIS 36 HE1 HIS 36 5.823 -9.326 -15.870 274 HE2 HIS 36 HE2 HIS 36 7.113 -7.495 -17.019 275 HB2 HIS 36 HB2 HIS 36 5.230 -4.664 -13.644 276 HB3 HIS 36 HB1 HIS 36 4.098 -5.911 -13.145 277 HA PRO 37 HA PRO 37 1.243 -2.854 -11.237 278 HB2 PRO 37 HB2 PRO 37 2.029 -5.200 -9.604 279 HB3 PRO 37 HB1 PRO 37 0.479 -4.357 -9.672 280 HG2 PRO 37 HG2 PRO 37 0.794 -6.791 -10.751 281 HG3 PRO 37 HG1 PRO 37 -0.252 -5.570 -11.501 282 HD2 PRO 37 HD2 PRO 37 2.501 -6.445 -12.276 283 HD3 PRO 37 HD1 PRO 37 1.125 -6.003 -13.308 284 H HIS 38 HN HIS 38 2.450 -1.843 -9.430 285 HA HIS 38 HA HIS 38 5.208 -1.701 -10.208 286 HD2 HIS 38 HD2 HIS 38 6.659 -0.045 -10.796 287 HE1 HIS 38 HE1 HIS 38 8.043 2.365 -7.603 288 HE2 HIS 38 HE2 HIS 38 8.535 1.484 -9.900 289 HB2 HIS 38 HB2 HIS 38 3.715 0.270 -9.473 290 HB3 HIS 38 HB1 HIS 38 4.079 -0.252 -7.827 291 H ILE 39 HN ILE 39 6.249 -1.123 -7.470 292 HA ILE 39 HA ILE 39 7.169 -3.864 -7.290 293 HB ILE 39 HB ILE 39 8.259 -1.295 -6.137 294 HG12 ILE 39 HG12 ILE 39 8.265 -1.536 -8.619 295 HG13 ILE 39 HG11 ILE 39 9.879 -1.418 -7.922 296 HG21 ILE 39 HG21 ILE 39 9.494 -4.047 -6.165 297 HG22 ILE 39 HG22 ILE 39 8.955 -3.155 -4.742 298 HG23 ILE 39 HG23 ILE 39 10.317 -2.559 -5.693 299 HD11 ILE 39 HD11 ILE 39 8.517 -3.948 -8.815 300 HD12 ILE 39 HD12 ILE 39 10.141 -3.835 -8.134 301 HD13 ILE 39 HD13 ILE 39 9.781 -3.084 -9.688 302 H PHE 40 HN PHE 40 7.038 -5.155 -5.559 303 HA PHE 40 HA PHE 40 4.957 -4.617 -3.690 304 HD1 PHE 40 HD1 PHE 40 7.168 -7.044 -6.081 305 HD2 PHE 40 HD2 PHE 40 7.527 -7.606 -1.877 306 HE1 PHE 40 HE1 PHE 40 9.310 -8.204 -6.423 307 HE2 PHE 40 HE2 PHE 40 9.674 -8.762 -2.211 308 HZ PHE 40 HZ PHE 40 10.568 -9.063 -4.485 309 HB2 PHE 40 HB2 PHE 40 5.489 -6.875 -2.796 310 HB3 PHE 40 HB1 PHE 40 5.216 -6.862 -4.533 311 H ILE 41 HN ILE 41 5.024 -4.061 -1.631 312 HA ILE 41 HA ILE 41 7.665 -3.513 -0.473 313 HB ILE 41 HB ILE 41 5.105 -1.934 -0.193 314 HG12 ILE 41 HG12 ILE 41 7.822 -1.229 -1.325 315 HG13 ILE 41 HG11 ILE 41 6.397 -1.622 -2.279 316 HG21 ILE 41 HG21 ILE 41 6.323 -0.421 1.272 317 HG22 ILE 41 HG22 ILE 41 7.755 -1.442 1.169 318 HG23 ILE 41 HG23 ILE 41 6.301 -2.045 1.960 319 HD11 ILE 41 HD11 ILE 41 5.267 0.344 -1.423 320 HD12 ILE 41 HD12 ILE 41 6.800 0.768 -2.189 321 HD13 ILE 41 HD13 ILE 41 6.673 0.726 -0.430 322 H ASP 42 HN ASP 42 7.714 -5.531 0.456 323 HA ASP 42 HA ASP 42 5.865 -6.151 2.603 324 HB2 ASP 42 HB2 ASP 42 7.186 -8.170 2.876 325 HB3 ASP 42 HB1 ASP 42 6.864 -7.942 1.160 326 H MET 43 HN MET 43 6.273 -5.732 4.737 327 HA MET 43 HA MET 43 8.701 -4.163 5.230 328 HB2 MET 43 HB2 MET 43 6.258 -4.430 6.995 329 HB3 MET 43 HB1 MET 43 7.579 -3.284 7.191 330 HG2 MET 43 HG2 MET 43 6.912 -2.498 4.810 331 HG3 MET 43 HG1 MET 43 5.390 -3.315 5.164 332 HE1 MET 43 HE1 MET 43 7.906 -1.189 7.355 333 HE2 MET 43 HE2 MET 43 7.077 0.367 7.329 334 HE3 MET 43 HE3 MET 43 7.698 -0.326 5.832 335 H GLY 44 HN GLY 44 8.355 -7.170 5.127 336 HA2 GLY 44 HA2 GLY 44 9.352 -7.896 7.775 337 HA3 GLY 44 HA1 GLY 44 9.049 -8.998 6.435 338 H SER 45 HN SER 45 10.540 -6.535 5.036 339 HA SER 45 HA SER 45 13.188 -7.758 5.286 340 HG SER 45 HG SER 45 13.953 -6.731 1.993 341 HB2 SER 45 HB2 SER 45 12.091 -7.583 3.024 342 HB3 SER 45 HB1 SER 45 12.200 -5.830 3.171 343 H THR 46 HN THR 46 11.411 -4.784 5.705 344 HA THR 46 HA THR 46 13.622 -3.594 7.147 345 HB THR 46 HB THR 46 13.086 -1.408 5.718 346 HG1 THR 46 HG1 THR 46 13.155 -2.847 3.451 347 HG21 THR 46 HG21 THR 46 15.066 -1.888 4.339 348 HG22 THR 46 HG22 THR 46 14.975 -3.585 4.810 349 HG23 THR 46 HG23 THR 46 15.317 -2.350 6.022 350 H ASP 47 HN ASP 47 12.973 -1.784 8.455 351 HA ASP 47 HA ASP 47 10.181 -1.856 9.225 352 HB2 ASP 47 HB2 ASP 47 12.567 -0.349 10.298 353 HB3 ASP 47 HB1 ASP 47 10.936 -0.092 10.907 354 H GLU 48 HN GLU 48 12.258 0.081 7.311 355 HA GLU 48 HA GLU 48 9.958 1.745 6.599 356 HB2 GLU 48 HB2 GLU 48 11.561 3.668 6.250 357 HB3 GLU 48 HB1 GLU 48 11.257 3.241 7.928 358 HG2 GLU 48 HG2 GLU 48 13.368 2.122 8.087 359 HG3 GLU 48 HG1 GLU 48 13.654 2.327 6.358 360 H LYS 49 HN LYS 49 9.495 1.170 4.583 361 HA LYS 49 HA LYS 49 11.746 0.546 2.791 362 HB2 LYS 49 HB2 LYS 49 10.111 -1.354 3.531 363 HB3 LYS 49 HB1 LYS 49 9.011 -0.613 2.375 364 HG2 LYS 49 HG2 LYS 49 10.765 -0.864 0.634 365 HG3 LYS 49 HG1 LYS 49 11.740 -1.744 1.808 366 HD2 LYS 49 HD2 LYS 49 9.751 -3.317 2.046 367 HD3 LYS 49 HD1 LYS 49 9.107 -2.542 0.595 368 HE2 LYS 49 HE2 LYS 49 11.344 -3.075 -0.492 369 HE3 LYS 49 HE1 LYS 49 11.641 -4.118 0.898 370 HZ1 LYS 49 HZ1 LYS 49 10.701 -5.262 -1.085 371 HZ2 LYS 49 HZ2 LYS 49 9.271 -4.387 -0.862 372 HZ3 LYS 49 HZ3 LYS 49 9.794 -5.473 0.334 373 H ILE 50 HN ILE 50 11.983 1.944 1.226 374 HA ILE 50 HA ILE 50 9.830 3.758 0.536 375 HB ILE 50 HB ILE 50 12.195 4.548 0.772 376 HG12 ILE 50 HG12 ILE 50 10.982 4.936 -1.977 377 HG13 ILE 50 HG11 ILE 50 10.528 5.826 -0.528 378 HG21 ILE 50 HG21 ILE 50 13.779 4.110 -1.041 379 HG22 ILE 50 HG22 ILE 50 12.622 3.007 -1.787 380 HG23 ILE 50 HG23 ILE 50 13.318 2.623 -0.211 381 HD11 ILE 50 HD11 ILE 50 12.791 6.757 -0.410 382 HD12 ILE 50 HD12 ILE 50 11.982 7.151 -1.926 383 HD13 ILE 50 HD13 ILE 50 13.211 5.888 -1.886 384 H CYS 51 HN CYS 51 9.001 3.991 -1.611 385 HA CYS 51 HA CYS 51 9.061 1.520 -3.156 386 HB2 CYS 51 HB2 CYS 51 6.873 2.615 -2.635 387 HB3 CYS 51 HB1 CYS 51 7.383 4.009 -3.582 388 HA PRO 52 HA PRO 52 12.345 3.561 -5.481 389 HB2 PRO 52 HB2 PRO 52 12.229 1.029 -7.003 390 HB3 PRO 52 HB1 PRO 52 13.599 1.785 -6.183 391 HG2 PRO 52 HG2 PRO 52 12.428 -0.407 -5.195 392 HG3 PRO 52 HG1 PRO 52 13.044 0.872 -4.131 393 HD2 PRO 52 HD2 PRO 52 10.228 0.295 -4.967 394 HD3 PRO 52 HD1 PRO 52 10.856 0.780 -3.378 395 H TYR 53 HN TYR 53 12.324 4.676 -7.356 396 HA TYR 53 HA TYR 53 11.609 5.558 -9.324 397 HD1 TYR 53 HD1 TYR 53 12.837 4.664 -11.589 398 HD2 TYR 53 HD2 TYR 53 11.767 1.266 -9.253 399 HE1 TYR 53 HE1 TYR 53 14.995 3.619 -12.128 400 HE2 TYR 53 HE2 TYR 53 13.925 0.216 -9.790 401 HH TYR 53 HH TYR 53 16.503 1.938 -11.186 402 HB2 TYR 53 HB2 TYR 53 10.151 2.930 -9.704 403 HB3 TYR 53 HB1 TYR 53 10.433 4.140 -10.951 404 H CYS 54 HN CYS 54 10.015 5.580 -6.757 405 HA CYS 54 HA CYS 54 7.681 6.910 -7.910 406 HB2 CYS 54 HB2 CYS 54 7.600 4.749 -5.813 407 HB3 CYS 54 HB1 CYS 54 6.323 5.949 -5.945 408 H SER 55 HN SER 55 9.399 6.153 -4.884 409 HA SER 55 HA SER 55 9.913 7.362 -3.045 410 HG SER 55 HG SER 55 11.304 9.945 -5.129 411 HB2 SER 55 HB2 SER 55 9.148 9.795 -4.675 412 HB3 SER 55 HB1 SER 55 9.994 9.815 -3.129 413 H THR 56 HN THR 56 8.509 6.787 -1.530 414 HA THR 56 HA THR 56 6.066 8.135 -1.017 415 HB THR 56 HB THR 56 5.675 5.229 -1.708 416 HG1 THR 56 HG1 THR 56 5.634 7.406 -3.548 417 HG21 THR 56 HG21 THR 56 3.908 6.419 -0.510 418 HG22 THR 56 HG22 THR 56 3.373 5.964 -2.128 419 HG23 THR 56 HG23 THR 56 3.845 7.629 -1.791 420 H LEU 57 HN LEU 57 8.459 7.620 0.294 421 HA LEU 57 HA LEU 57 9.186 5.246 1.300 422 HG LEU 57 HG LEU 57 11.376 5.593 2.348 423 HB2 LEU 57 HB2 LEU 57 10.142 7.654 1.630 424 HB3 LEU 57 HB1 LEU 57 9.262 7.602 3.143 425 HD11 LEU 57 HD11 LEU 57 12.823 6.787 3.930 426 HD12 LEU 57 HD12 LEU 57 11.579 8.023 4.118 427 HD13 LEU 57 HD13 LEU 57 12.365 7.793 2.556 428 HD21 LEU 57 HD21 LEU 57 10.066 6.162 5.006 429 HD22 LEU 57 HD22 LEU 57 11.369 5.009 4.719 430 HD23 LEU 57 HD23 LEU 57 9.783 4.745 3.993 431 H TYR 58 HN TYR 58 7.858 3.731 2.052 432 HA TYR 58 HA TYR 58 5.712 4.394 3.876 433 HD1 TYR 58 HD2 TYR 58 6.538 2.650 0.415 434 HD2 TYR 58 HD1 TYR 58 3.157 2.855 2.987 435 HE1 TYR 58 HE2 TYR 58 5.095 3.096 -1.522 436 HE2 TYR 58 HE1 TYR 58 1.708 3.293 1.051 437 HH TYR 58 HH TYR 58 1.898 4.177 -1.227 438 HB2 TYR 58 HB2 TYR 58 6.626 1.765 2.698 439 HB3 TYR 58 HB1 TYR 58 5.247 1.933 3.777 440 H ARG 59 HN ARG 59 6.128 4.638 5.942 441 HA ARG 59 HA ARG 59 8.176 2.911 7.169 442 HE ARG 59 HE ARG 59 7.406 6.798 9.713 443 HB2 ARG 59 HB2 ARG 59 8.604 5.400 7.158 444 HB3 ARG 59 HB1 ARG 59 7.201 5.577 8.203 445 HG2 ARG 59 HG2 ARG 59 8.306 4.099 9.854 446 HG3 ARG 59 HG1 ARG 59 9.737 4.079 8.819 447 HD2 ARG 59 HD2 ARG 59 10.026 5.728 10.551 448 HD3 ARG 59 HD1 ARG 59 9.855 6.539 8.993 449 HH11 ARG 59 HH11 ARG 59 10.137 6.790 11.918 450 HH12 ARG 59 HH12 ARG 59 9.333 7.771 13.109 451 HH21 ARG 59 HH21 ARG 59 6.342 8.031 11.281 452 HH22 ARG 59 HH22 ARG 59 7.162 8.450 12.763 453 H TYR 60 HN TYR 60 7.646 1.756 8.973 454 HA TYR 60 HA TYR 60 4.804 1.485 9.504 455 HD1 TYR 60 HD1 TYR 60 4.006 -1.336 9.077 456 HD2 TYR 60 HD2 TYR 60 6.049 -0.623 12.741 457 HE1 TYR 60 HE1 TYR 60 2.337 -2.691 10.266 458 HE2 TYR 60 HE2 TYR 60 4.383 -1.977 13.940 459 HH TYR 60 HH TYR 60 1.977 -2.675 13.581 460 HB2 TYR 60 HB2 TYR 60 6.303 -0.493 9.107 461 HB3 TYR 60 HB1 TYR 60 7.105 -0.123 10.627 462 H ASP 61 HN ASP 61 3.813 2.049 11.370 463 HA ASP 61 HA ASP 61 5.494 2.819 13.649 464 HB2 ASP 61 HB2 ASP 61 4.715 4.862 12.381 465 HB3 ASP 61 HB1 ASP 61 3.064 4.404 12.798 466 HA PRO 62 HA PRO 62 2.881 -0.048 15.737 467 HB2 PRO 62 HB2 PRO 62 3.314 0.881 18.291 468 HB3 PRO 62 HB1 PRO 62 4.410 -0.190 17.412 469 HG2 PRO 62 HG2 PRO 62 4.537 2.778 17.769 470 HG3 PRO 62 HG1 PRO 62 5.848 1.583 17.836 471 HD2 PRO 62 HD2 PRO 62 5.463 3.108 15.669 472 HD3 PRO 62 HD1 PRO 62 5.978 1.413 15.527 473 H SER 63 HN SER 63 2.436 3.417 16.058 474 HA SER 63 HA SER 63 0.005 3.164 17.594 475 HG SER 63 HG SER 63 -0.223 6.718 17.582 476 HB2 SER 63 HB2 SER 63 1.470 5.156 17.794 477 HB3 SER 63 HB1 SER 63 1.106 5.572 16.119 478 H LEU 64 HN LEU 64 0.878 2.907 14.332 479 HA LEU 64 HA LEU 64 -1.760 3.628 13.327 480 HG LEU 64 HG LEU 64 1.012 4.898 12.822 481 HB2 LEU 64 HB2 LEU 64 0.690 2.615 11.879 482 HB3 LEU 64 HB1 LEU 64 -0.787 3.174 11.115 483 HD11 LEU 64 HD11 LEU 64 1.694 5.941 10.724 484 HD12 LEU 64 HD12 LEU 64 0.739 4.765 9.822 485 HD13 LEU 64 HD13 LEU 64 2.132 4.233 10.765 486 HD21 LEU 64 HD21 LEU 64 -1.317 5.621 11.043 487 HD22 LEU 64 HD22 LEU 64 -0.316 6.745 11.962 488 HD23 LEU 64 HD23 LEU 64 -1.343 5.588 12.806 489 H SER 65 HN SER 65 -2.739 2.002 11.726 490 HA SER 65 HA SER 65 -2.336 -0.763 12.476 491 HG SER 65 HG SER 65 -2.733 0.129 14.608 492 HB2 SER 65 HB2 SER 65 -4.975 0.612 13.055 493 HB3 SER 65 HB1 SER 65 -4.598 -1.089 13.334 494 H TYR 66 HN TYR 66 -4.424 -2.009 11.416 495 HA TYR 66 HA TYR 66 -3.972 -1.557 8.618 496 HD1 TYR 66 HD1 TYR 66 -3.289 -3.976 11.315 497 HD2 TYR 66 HD2 TYR 66 -3.830 -4.485 7.125 498 HE1 TYR 66 HE1 TYR 66 -1.216 -5.296 11.211 499 HE2 TYR 66 HE2 TYR 66 -1.760 -5.805 7.012 500 HH TYR 66 HH TYR 66 -0.224 -7.078 9.680 501 HB2 TYR 66 HB2 TYR 66 -5.527 -3.618 10.167 502 HB3 TYR 66 HB1 TYR 66 -5.569 -3.557 8.407 503 H ASN 67 HN ASN 67 -6.405 -0.620 10.846 504 HA ASN 67 HA ASN 67 -8.485 -0.278 8.879 505 HB2 ASN 67 HB2 ASN 67 -9.770 0.736 10.672 506 HB3 ASN 67 HB1 ASN 67 -9.002 -0.733 11.257 507 HD21 ASN 67 HD21 ASN 67 -9.124 2.717 11.468 508 HD22 ASN 67 HD22 ASN 67 -8.117 2.872 12.867 509 H GLN 68 HN GLN 68 -5.697 1.339 9.435 510 HA GLN 68 HA GLN 68 -6.673 3.758 8.151 511 HB2 GLN 68 HB2 GLN 68 -5.404 5.178 9.777 512 HB3 GLN 68 HB1 GLN 68 -6.814 4.387 10.466 513 HG2 GLN 68 HG2 GLN 68 -5.313 2.636 11.383 514 HG3 GLN 68 HG1 GLN 68 -3.938 3.573 10.801 515 HE21 GLN 68 HE21 GLN 68 -4.684 2.818 13.520 516 HE22 GLN 68 HE22 GLN 68 -4.822 4.300 14.405 517 H THR 69 HN THR 69 -4.368 5.244 8.135 518 HA THR 69 HA THR 69 -2.137 3.526 7.618 519 HB THR 69 HB THR 69 -3.129 3.280 5.483 520 HG1 THR 69 HG1 THR 69 -0.845 4.850 5.708 521 HG21 THR 69 HG21 THR 69 -4.603 5.334 5.661 522 HG22 THR 69 HG22 THR 69 -3.908 5.016 4.072 523 HG23 THR 69 HG23 THR 69 -3.213 6.270 5.099 524 H ASN 70 HN ASN 70 -3.131 6.826 6.862 525 HA ASN 70 HA ASN 70 -0.784 7.854 8.238 526 HB2 ASN 70 HB2 ASN 70 0.092 8.998 6.306 527 HB3 ASN 70 HB1 ASN 70 -0.107 7.305 5.874 528 HD21 ASN 70 HD21 ASN 70 -1.143 10.548 5.293 529 HD22 ASN 70 HD22 ASN 70 -2.167 10.204 3.944 530 HA PRO 71 HA PRO 71 -3.280 11.520 8.947 531 HB2 PRO 71 HB2 PRO 71 -1.050 13.187 7.938 532 HB3 PRO 71 HB1 PRO 71 -1.823 13.191 9.527 533 HG2 PRO 71 HG2 PRO 71 0.645 12.199 9.182 534 HG3 PRO 71 HG1 PRO 71 -0.499 11.465 10.322 535 HD2 PRO 71 HD2 PRO 71 0.283 10.559 7.576 536 HD3 PRO 71 HD1 PRO 71 -0.015 9.597 9.039 537 H THR 72 HN THR 72 -4.865 12.193 7.633 538 HA THR 72 HA THR 72 -6.065 12.594 5.753 539 HB THR 72 HB THR 72 -3.462 13.350 4.401 540 HG1 THR 72 HG1 THR 72 -3.937 14.563 6.356 541 HG21 THR 72 HG21 THR 72 -4.912 14.712 2.961 542 HG22 THR 72 HG22 THR 72 -6.331 14.085 3.800 543 HG23 THR 72 HG23 THR 72 -5.318 13.000 2.848 544 H GLY 73 HN GLY 73 -6.540 10.406 5.685 545 HA2 GLY 73 HA2 GLY 73 -4.892 8.358 4.778 546 HA3 GLY 73 HA1 GLY 73 -6.644 8.289 4.835 547 H CYS 74 HN CYS 74 -4.261 7.634 2.898 548 HA CYS 74 HA CYS 74 -5.524 8.705 0.479 549 HG CYS 74 HG CYS 74 -2.167 7.662 2.546 550 HB2 CYS 74 HB2 CYS 74 -3.394 7.901 -0.645 551 HB3 CYS 74 HB1 CYS 74 -3.208 9.245 0.473 552 H LEU 75 HN LEU 75 -7.204 7.354 0.241 553 HA LEU 75 HA LEU 75 -6.608 4.510 -0.208 554 HG LEU 75 HG LEU 75 -6.423 5.131 2.362 555 HB2 LEU 75 HB2 LEU 75 -8.950 5.631 1.338 556 HB3 LEU 75 HB1 LEU 75 -8.688 3.936 0.973 557 HD11 LEU 75 HD11 LEU 75 -7.547 5.340 4.528 558 HD12 LEU 75 HD12 LEU 75 -9.103 5.087 3.737 559 HD13 LEU 75 HD13 LEU 75 -8.144 6.519 3.358 560 HD21 LEU 75 HD21 LEU 75 -6.734 2.733 2.054 561 HD22 LEU 75 HD22 LEU 75 -8.236 2.801 2.977 562 HD23 LEU 75 HD23 LEU 75 -6.700 3.152 3.768 563 H TYR 76 HN TYR 76 -7.556 3.688 -2.022 564 HA TYR 76 HA TYR 76 -9.270 5.542 -3.517 565 HD1 TYR 76 HD1 TYR 76 -9.031 6.464 -5.744 566 HD2 TYR 76 HD2 TYR 76 -8.616 2.292 -6.476 567 HE1 TYR 76 HE1 TYR 76 -10.173 6.736 -7.904 568 HE2 TYR 76 HE2 TYR 76 -9.764 2.555 -8.638 569 HH TYR 76 HH TYR 76 -10.322 5.589 -10.062 570 HB2 TYR 76 HB2 TYR 76 -7.180 4.854 -4.635 571 HB3 TYR 76 HB1 TYR 76 -7.700 3.175 -4.557 572 H ASN 77 HN ASN 77 -11.249 5.051 -2.631 573 HA ASN 77 HA ASN 77 -12.276 2.418 -3.418 574 HB2 ASN 77 HB2 ASN 77 -14.263 3.072 -1.909 575 HB3 ASN 77 HB1 ASN 77 -12.766 2.583 -1.135 576 HD21 ASN 77 HD21 ASN 77 -13.266 3.615 0.761 577 HD22 ASN 77 HD22 ASN 77 -13.272 5.340 0.922 578 HA PRO 78 HA PRO 78 -14.075 4.481 -6.868 579 HB2 PRO 78 HB2 PRO 78 -15.944 2.535 -7.450 580 HB3 PRO 78 HB1 PRO 78 -14.255 2.491 -7.960 581 HG2 PRO 78 HG2 PRO 78 -15.578 1.129 -5.658 582 HG3 PRO 78 HG1 PRO 78 -14.328 0.516 -6.756 583 HD2 PRO 78 HD2 PRO 78 -13.746 1.355 -4.271 584 HD3 PRO 78 HD1 PRO 78 -12.627 1.611 -5.627 585 H LYS 79 HN LYS 79 -15.310 6.196 -6.490 586 HA LYS 79 HA LYS 79 -17.730 5.956 -4.892 587 HB2 LYS 79 HB2 LYS 79 -16.082 7.893 -4.702 588 HB3 LYS 79 HB1 LYS 79 -16.671 8.429 -6.268 589 HG2 LYS 79 HG2 LYS 79 -17.730 9.623 -4.412 590 HG3 LYS 79 HG1 LYS 79 -18.902 8.712 -5.368 591 HD2 LYS 79 HD2 LYS 79 -18.986 6.976 -3.719 592 HD3 LYS 79 HD1 LYS 79 -17.657 7.702 -2.817 593 HE2 LYS 79 HE2 LYS 79 -20.334 9.010 -3.269 594 HE3 LYS 79 HE1 LYS 79 -19.895 8.107 -1.819 595 HZ1 LYS 79 HZ1 LYS 79 -18.778 10.674 -2.788 596 HZ2 LYS 79 HZ2 LYS 79 -17.962 9.722 -1.647 597 HZ3 LYS 79 HZ3 LYS 79 -19.504 10.330 -1.293 598 H LEU 80 HN LEU 80 -19.724 5.810 -5.740 599 HA LEU 80 HA LEU 80 -20.069 5.283 -8.491 600 HG LEU 80 HG LEU 80 -23.081 5.920 -8.740 601 HB2 LEU 80 HB2 LEU 80 -21.504 4.365 -6.683 602 HB3 LEU 80 HB1 LEU 80 -22.177 5.967 -6.439 603 HD11 LEU 80 HD11 LEU 80 -23.057 3.840 -10.002 604 HD12 LEU 80 HD12 LEU 80 -22.052 3.089 -8.762 605 HD13 LEU 80 HD13 LEU 80 -21.417 4.424 -9.723 606 HD21 LEU 80 HD21 LEU 80 -23.857 3.563 -7.028 607 HD22 LEU 80 HD22 LEU 80 -24.824 4.243 -8.336 608 HD23 LEU 80 HD23 LEU 80 -24.490 5.204 -6.894 609 H GLU 81 HN GLU 81 -20.205 6.654 -10.117 610 HA GLU 81 HA GLU 81 -20.602 9.478 -9.553 611 HB2 GLU 81 HB2 GLU 81 -19.989 9.613 -12.079 612 HB3 GLU 81 HB1 GLU 81 -18.743 9.250 -10.894 613 HG2 GLU 81 HG2 GLU 81 -18.425 7.800 -12.745 614 HG3 GLU 81 HG1 GLU 81 -19.056 6.829 -11.417 615 H HIS 82 HN HIS 82 -21.604 10.205 -12.179 616 HA HIS 82 HA HIS 82 -24.390 9.400 -11.651 617 HD1 HIS 82 HD1 HIS 82 -26.194 10.808 -10.183 618 HD2 HIS 82 HD2 HIS 82 -25.810 13.119 -13.622 619 HE1 HIS 82 HE1 HIS 82 -28.506 11.667 -10.690 620 HE2 HIS 82 HE2 HIS 82 -28.233 13.145 -12.718 621 HB2 HIS 82 HB2 HIS 82 -23.678 11.696 -10.850 622 HB3 HIS 82 HB1 HIS 82 -23.520 12.147 -12.542 623 H HIS 83 HN HIS 83 -22.172 8.862 -13.885 624 HA HIS 83 HA HIS 83 -23.962 9.442 -16.160 625 HD1 HIS 83 HD1 HIS 83 -23.153 11.012 -18.398 626 HD2 HIS 83 HD2 HIS 83 -20.359 11.600 -15.372 627 HE1 HIS 83 HE1 HIS 83 -22.639 13.475 -18.415 628 HE2 HIS 83 HE2 HIS 83 -20.880 13.797 -16.639 629 HB2 HIS 83 HB2 HIS 83 -20.986 9.022 -16.012 630 HB3 HIS 83 HB1 HIS 83 -21.860 8.823 -17.526 631 H HIS 84 HN HIS 84 -21.862 6.947 -14.788 632 HA HIS 84 HA HIS 84 -21.806 4.694 -14.968 633 HD1 HIS 84 HD1 HIS 84 -25.553 6.016 -13.680 634 HD2 HIS 84 HD2 HIS 84 -23.140 2.667 -13.162 635 HE1 HIS 84 HE1 HIS 84 -25.810 5.359 -11.266 636 HE2 HIS 84 HE2 HIS 84 -24.478 3.224 -11.023 637 HB2 HIS 84 HB2 HIS 84 -24.659 5.113 -15.844 638 HB3 HIS 84 HB1 HIS 84 -23.925 3.514 -15.809 639 H HIS 85 HN HIS 85 -22.233 2.851 -16.737 640 HA HIS 85 HA HIS 85 -21.055 3.979 -19.169 641 HD1 HIS 85 HD1 HIS 85 -18.561 3.726 -19.231 642 HD2 HIS 85 HD2 HIS 85 -19.278 0.927 -16.231 643 HE1 HIS 85 HE1 HIS 85 -16.592 3.874 -17.680 644 HE2 HIS 85 HE2 HIS 85 -16.965 2.069 -15.969 645 HB2 HIS 85 HB2 HIS 85 -21.160 1.128 -18.168 646 HB3 HIS 85 HB1 HIS 85 -20.436 1.623 -19.696 647 H HIS 86 HN HIS 86 -21.807 3.266 -21.252 648 HA HIS 86 HA HIS 86 -24.595 3.793 -21.321 649 HD1 HIS 86 HD1 HIS 86 -20.890 4.809 -22.909 650 HD2 HIS 86 HD2 HIS 86 -24.717 6.425 -23.106 651 HE1 HIS 86 HE1 HIS 86 -20.583 7.302 -22.766 652 HE2 HIS 86 HE2 HIS 86 -22.919 8.251 -22.733 653 HB2 HIS 86 HB2 HIS 86 -22.676 3.108 -23.550 654 HB3 HIS 86 HB1 HIS 86 -24.322 3.693 -23.784 655 H HIS 87 HN HIS 87 -22.769 0.868 -21.410 656 HA HIS 87 HA HIS 87 -25.292 -0.578 -21.486 657 HD1 HIS 87 HD1 HIS 87 -23.419 -4.004 -23.379 658 HD2 HIS 87 HD2 HIS 87 -26.933 -1.780 -23.323 659 HE1 HIS 87 HE1 HIS 87 -25.284 -5.664 -23.703 660 HE2 HIS 87 HE2 HIS 87 -27.400 -4.319 -23.427 661 HB2 HIS 87 HB2 HIS 87 -24.252 -0.548 -23.825 662 HB3 HIS 87 HB1 HIS 87 -22.983 -1.570 -23.151 Start of MODEL 8 1 HA MET 1 HA MET 1 -14.840 -15.918 8.001 2 H1 MET 1 HT1 MET 1 -16.104 -16.811 6.160 3 H2 MET 1 HT2 MET 1 -15.038 -16.094 5.052 4 H3 MET 1 HT3 MET 1 -15.986 -15.123 6.067 5 HB2 MET 1 HB2 MET 1 -12.881 -17.371 7.784 6 HB3 MET 1 HB1 MET 1 -14.318 -18.173 7.167 7 HG2 MET 1 HG2 MET 1 -13.642 -17.684 4.893 8 HG3 MET 1 HG1 MET 1 -12.227 -16.816 5.486 9 HE1 MET 1 HE1 MET 1 -10.121 -19.683 7.106 10 HE2 MET 1 HE2 MET 1 -11.294 -18.646 7.915 11 HE3 MET 1 HE3 MET 1 -10.192 -17.965 6.720 12 H ALA 2 HN ALA 2 -12.314 -15.442 8.377 13 HA ALA 2 HA ALA 2 -11.905 -12.812 7.354 14 HB1 ALA 2 HB1 ALA 2 -10.012 -14.556 8.927 15 HB2 ALA 2 HB2 ALA 2 -11.199 -13.444 9.610 16 HB3 ALA 2 HB3 ALA 2 -9.851 -12.821 8.659 17 H ASP 3 HN ASP 3 -11.779 -13.014 5.131 18 HA ASP 3 HA ASP 3 -9.692 -14.610 3.927 19 HB2 ASP 3 HB2 ASP 3 -11.825 -14.348 2.760 20 HB3 ASP 3 HB1 ASP 3 -11.610 -12.601 2.718 21 H TYR 4 HN TYR 4 -7.680 -13.950 3.586 22 HA TYR 4 HA TYR 4 -7.023 -11.221 4.341 23 HD1 TYR 4 HD2 TYR 4 -5.387 -10.767 6.250 24 HD2 TYR 4 HD1 TYR 4 -5.843 -14.980 5.860 25 HE1 TYR 4 HE2 TYR 4 -5.537 -10.969 8.694 26 HE2 TYR 4 HE1 TYR 4 -5.995 -15.193 8.307 27 HH TYR 4 HH TYR 4 -6.481 -12.561 10.368 28 HB2 TYR 4 HB2 TYR 4 -5.370 -13.704 3.962 29 HB3 TYR 4 HB1 TYR 4 -4.630 -12.120 4.158 30 H ASN 5 HN ASN 5 -6.732 -9.695 2.953 31 HA ASN 5 HA ASN 5 -5.263 -10.173 0.498 32 HB2 ASN 5 HB2 ASN 5 -7.720 -10.369 -0.082 33 HB3 ASN 5 HB1 ASN 5 -7.916 -8.701 0.443 34 HD21 ASN 5 HD21 ASN 5 -6.501 -10.809 -1.945 35 HD22 ASN 5 HD22 ASN 5 -6.213 -9.586 -3.138 36 H ILE 6 HN ILE 6 -4.137 -8.301 -0.161 37 HA ILE 6 HA ILE 6 -3.582 -6.480 1.958 38 HB ILE 6 HB ILE 6 -2.672 -6.369 -0.925 39 HG12 ILE 6 HG12 ILE 6 -1.304 -7.512 1.522 40 HG13 ILE 6 HG11 ILE 6 -2.026 -8.457 0.224 41 HG21 ILE 6 HG21 ILE 6 -2.439 -4.218 0.182 42 HG22 ILE 6 HG22 ILE 6 -0.854 -4.951 -0.067 43 HG23 ILE 6 HG23 ILE 6 -1.599 -4.983 1.531 44 HD11 ILE 6 HD11 ILE 6 0.393 -8.350 0.014 45 HD12 ILE 6 HD12 ILE 6 0.321 -6.588 -0.050 46 HD13 ILE 6 HD13 ILE 6 -0.395 -7.548 -1.345 47 HA PRO 7 HA PRO 7 -6.967 -3.656 1.251 48 HB2 PRO 7 HB2 PRO 7 -5.003 -1.833 2.570 49 HB3 PRO 7 HB1 PRO 7 -6.715 -2.094 2.929 50 HG2 PRO 7 HG2 PRO 7 -4.841 -3.163 4.479 51 HG3 PRO 7 HG1 PRO 7 -6.310 -4.071 4.076 52 HD2 PRO 7 HD2 PRO 7 -3.538 -4.384 3.026 53 HD3 PRO 7 HD1 PRO 7 -4.779 -5.617 3.331 54 H HIS 8 HN HIS 8 -7.438 -2.309 -0.378 55 HA HIS 8 HA HIS 8 -5.247 -1.766 -2.222 56 HD1 HIS 8 HD1 HIS 8 -6.910 -3.303 -5.340 57 HD2 HIS 8 HD2 HIS 8 -7.644 -4.373 -1.387 58 HE1 HIS 8 HE1 HIS 8 -6.975 -5.819 -5.315 59 HE2 HIS 8 HE2 HIS 8 -7.213 -6.435 -2.878 60 HB2 HIS 8 HB2 HIS 8 -8.249 -1.590 -2.600 61 HB3 HIS 8 HB1 HIS 8 -7.054 -1.324 -3.867 62 H PHE 9 HN PHE 9 -4.232 0.021 -1.538 63 HA PHE 9 HA PHE 9 -5.818 2.493 -1.324 64 HD1 PHE 9 HD1 PHE 9 -6.436 3.027 0.834 65 HD2 PHE 9 HD2 PHE 9 -2.988 0.684 1.687 66 HE1 PHE 9 HE1 PHE 9 -7.461 2.297 2.950 67 HE2 PHE 9 HE2 PHE 9 -4.007 -0.055 3.800 68 HZ PHE 9 HZ PHE 9 -6.245 0.751 4.434 69 HB2 PHE 9 HB2 PHE 9 -3.048 1.888 -0.253 70 HB3 PHE 9 HB1 PHE 9 -3.876 3.433 -0.110 71 H GLN 10 HN GLN 10 -4.828 4.423 -2.275 72 HA GLN 10 HA GLN 10 -3.213 3.742 -4.635 73 HB2 GLN 10 HB2 GLN 10 -4.216 5.708 -5.718 74 HB3 GLN 10 HB1 GLN 10 -5.442 4.550 -5.220 75 HG2 GLN 10 HG2 GLN 10 -6.032 5.908 -3.319 76 HG3 GLN 10 HG1 GLN 10 -4.705 7.018 -3.661 77 HE21 GLN 10 HE21 GLN 10 -6.142 8.735 -3.782 78 HE22 GLN 10 HE22 GLN 10 -7.170 8.979 -5.153 79 H ASN 11 HN ASN 11 -1.849 5.573 -5.425 80 HA ASN 11 HA ASN 11 -0.647 7.031 -3.185 81 HB2 ASN 11 HB2 ASN 11 0.327 6.654 -6.036 82 HB3 ASN 11 HB1 ASN 11 1.195 7.527 -4.777 83 HD21 ASN 11 HD21 ASN 11 0.410 5.614 -2.700 84 HD22 ASN 11 HD22 ASN 11 1.377 4.206 -2.961 85 H ASP 12 HN ASP 12 -1.294 9.073 -2.859 86 HA ASP 12 HA ASP 12 -3.431 10.147 -4.279 87 HB2 ASP 12 HB2 ASP 12 -2.849 12.272 -2.991 88 HB3 ASP 12 HB1 ASP 12 -3.103 10.821 -2.024 89 H LEU 13 HN LEU 13 -0.327 11.878 -4.060 90 HA LEU 13 HA LEU 13 -0.372 12.100 -6.992 91 HG LEU 13 HG LEU 13 0.113 13.781 -3.802 92 HB2 LEU 13 HB2 LEU 13 1.071 14.159 -6.619 93 HB3 LEU 13 HB1 LEU 13 -0.630 14.301 -6.232 94 HD11 LEU 13 HD11 LEU 13 2.362 14.570 -3.260 95 HD12 LEU 13 HD12 LEU 13 2.718 14.738 -4.980 96 HD13 LEU 13 HD13 LEU 13 2.404 13.142 -4.295 97 HD21 LEU 13 HD21 LEU 13 0.478 16.157 -3.396 98 HD22 LEU 13 HD22 LEU 13 -0.819 15.900 -4.565 99 HD23 LEU 13 HD23 LEU 13 0.776 16.410 -5.117 100 H GLY 14 HN GLY 14 1.062 10.750 -4.347 101 HA2 GLY 14 HA2 GLY 14 2.943 9.263 -4.505 102 HA3 GLY 14 HA1 GLY 14 3.619 10.319 -5.742 103 H TYR 15 HN TYR 15 2.395 10.684 -2.420 104 HA TYR 15 HA TYR 15 4.072 12.870 -1.829 105 HD1 TYR 15 HD2 TYR 15 2.825 14.675 -0.529 106 HD2 TYR 15 HD1 TYR 15 3.797 11.589 2.227 107 HE1 TYR 15 HE2 TYR 15 3.455 16.368 1.138 108 HE2 TYR 15 HE1 TYR 15 4.434 13.271 3.899 109 HH TYR 15 HH TYR 15 5.155 15.584 3.989 110 HB2 TYR 15 HB2 TYR 15 1.900 12.234 -0.671 111 HB3 TYR 15 HB1 TYR 15 2.824 11.018 0.204 112 H LYS 16 HN LYS 16 5.958 13.004 -0.633 113 HA LYS 16 HA LYS 16 7.814 11.077 -1.461 114 HB2 LYS 16 HB2 LYS 16 8.146 13.588 -1.042 115 HB3 LYS 16 HB1 LYS 16 8.371 13.147 0.644 116 HG2 LYS 16 HG2 LYS 16 10.269 11.775 0.081 117 HG3 LYS 16 HG1 LYS 16 10.009 12.073 -1.640 118 HD2 LYS 16 HD2 LYS 16 10.283 14.538 -1.109 119 HD3 LYS 16 HD1 LYS 16 10.860 14.033 0.480 120 HE2 LYS 16 HE2 LYS 16 12.060 13.225 -2.164 121 HE3 LYS 16 HE1 LYS 16 12.700 14.460 -1.084 122 HZ1 LYS 16 HZ1 LYS 16 13.861 12.371 -0.814 123 HZ2 LYS 16 HZ2 LYS 16 12.412 11.574 -0.441 124 HZ3 LYS 16 HZ3 LYS 16 13.018 12.761 0.604 125 H ILE 17 HN ILE 17 6.475 11.746 1.755 126 HA ILE 17 HA ILE 17 7.563 9.136 2.596 127 HB ILE 17 HB ILE 17 7.205 11.551 4.385 128 HG12 ILE 17 HG12 ILE 17 9.792 10.318 3.415 129 HG13 ILE 17 HG11 ILE 17 9.076 11.773 2.726 130 HG21 ILE 17 HG21 ILE 17 8.425 10.201 6.039 131 HG22 ILE 17 HG22 ILE 17 8.435 8.846 4.910 132 HG23 ILE 17 HG23 ILE 17 6.906 9.445 5.555 133 HD11 ILE 17 HD11 ILE 17 9.991 11.437 5.572 134 HD12 ILE 17 HD12 ILE 17 9.287 12.895 4.877 135 HD13 ILE 17 HD13 ILE 17 10.847 12.308 4.300 136 H ILE 18 HN ILE 18 5.833 7.800 2.667 137 HA ILE 18 HA ILE 18 3.402 8.928 3.952 138 HB ILE 18 HB ILE 18 3.586 6.831 1.789 139 HG12 ILE 18 HG12 ILE 18 2.374 9.594 1.989 140 HG13 ILE 18 HG11 ILE 18 3.667 9.062 0.915 141 HG21 ILE 18 HG21 ILE 18 1.947 6.084 3.426 142 HG22 ILE 18 HG22 ILE 18 1.145 6.625 1.952 143 HG23 ILE 18 HG23 ILE 18 1.158 7.662 3.378 144 HD11 ILE 18 HD11 ILE 18 2.084 7.684 -0.315 145 HD12 ILE 18 HD12 ILE 18 1.563 9.368 -0.272 146 HD13 ILE 18 HD13 ILE 18 0.790 8.179 0.776 147 H GLU 19 HN GLU 19 2.877 8.168 5.830 148 HA GLU 19 HA GLU 19 4.019 5.690 6.830 149 HB2 GLU 19 HB2 GLU 19 2.282 7.769 8.181 150 HB3 GLU 19 HB1 GLU 19 3.042 6.405 8.985 151 HG2 GLU 19 HG2 GLU 19 5.235 7.292 8.488 152 HG3 GLU 19 HG1 GLU 19 4.514 8.626 7.589 153 H ILE 20 HN ILE 20 2.810 3.887 7.419 154 HA ILE 20 HA ILE 20 -0.017 3.905 6.625 155 HB ILE 20 HB ILE 20 0.362 1.665 5.512 156 HG12 ILE 20 HG12 ILE 20 3.245 2.587 5.588 157 HG13 ILE 20 HG11 ILE 20 2.584 1.211 6.466 158 HG21 ILE 20 HG21 ILE 20 1.067 2.644 3.393 159 HG22 ILE 20 HG22 ILE 20 1.667 4.069 4.243 160 HG23 ILE 20 HG23 ILE 20 -0.059 3.704 4.241 161 HD11 ILE 20 HD11 ILE 20 2.068 0.123 4.330 162 HD12 ILE 20 HD12 ILE 20 3.786 0.477 4.506 163 HD13 ILE 20 HD13 ILE 20 2.777 1.493 3.475 164 H GLY 21 HN GLY 21 -1.274 2.177 7.476 165 HA2 GLY 21 HA2 GLY 21 -0.315 1.247 10.053 166 HA3 GLY 21 HA1 GLY 21 -1.952 1.096 9.428 167 H VAL 22 HN VAL 22 -0.348 0.050 6.904 168 HA VAL 22 HA VAL 22 -0.471 -2.735 7.777 169 HB VAL 22 HB VAL 22 -0.290 -3.285 5.348 170 HG11 VAL 22 HG11 VAL 22 -2.565 -2.584 4.772 171 HG12 VAL 22 HG12 VAL 22 -2.544 -1.432 6.107 172 HG13 VAL 22 HG13 VAL 22 -2.463 -3.164 6.436 173 HG21 VAL 22 HG21 VAL 22 -0.549 -0.301 4.987 174 HG22 VAL 22 HG22 VAL 22 -0.643 -1.506 3.703 175 HG23 VAL 22 HG23 VAL 22 0.865 -1.276 4.587 176 H LYS 23 HN LYS 23 1.237 -4.204 7.294 177 HA LYS 23 HA LYS 23 3.834 -2.913 7.569 178 HB2 LYS 23 HB2 LYS 23 3.053 -4.715 9.147 179 HB3 LYS 23 HB1 LYS 23 3.179 -5.848 7.811 180 HG2 LYS 23 HG2 LYS 23 5.566 -5.374 7.626 181 HG3 LYS 23 HG1 LYS 23 5.440 -4.235 8.970 182 HD2 LYS 23 HD2 LYS 23 4.720 -6.041 10.442 183 HD3 LYS 23 HD1 LYS 23 4.814 -7.184 9.101 184 HE2 LYS 23 HE2 LYS 23 7.092 -5.639 10.327 185 HE3 LYS 23 HE1 LYS 23 6.793 -7.372 10.466 186 HZ1 LYS 23 HZ1 LYS 23 6.919 -7.297 7.898 187 HZ2 LYS 23 HZ2 LYS 23 8.349 -7.270 8.807 188 HZ3 LYS 23 HZ3 LYS 23 7.747 -5.835 8.146 189 H GLU 24 HN GLU 24 2.524 -5.686 5.720 190 HA GLU 24 HA GLU 24 4.623 -5.279 3.705 191 HB2 GLU 24 HB2 GLU 24 2.547 -7.473 3.733 192 HB3 GLU 24 HB1 GLU 24 4.097 -7.452 2.903 193 HG2 GLU 24 HG2 GLU 24 3.609 -7.706 5.858 194 HG3 GLU 24 HG1 GLU 24 4.256 -8.926 4.767 195 H PHE 25 HN PHE 25 4.155 -4.220 1.840 196 HA PHE 25 HA PHE 25 1.308 -3.747 1.242 197 HD1 PHE 25 HD2 PHE 25 -0.225 -1.719 1.685 198 HD2 PHE 25 HD1 PHE 25 3.109 -0.134 -0.432 199 HE1 PHE 25 HE2 PHE 25 -1.731 -0.213 0.451 200 HE2 PHE 25 HE1 PHE 25 1.610 1.377 -1.668 201 HZ PHE 25 HZ PHE 25 -0.812 1.337 -1.228 202 HB2 PHE 25 HB2 PHE 25 2.253 -1.838 2.516 203 HB3 PHE 25 HB1 PHE 25 3.480 -1.633 1.274 204 H MET 26 HN MET 26 0.904 -3.002 -0.962 205 HA MET 26 HA MET 26 3.103 -3.236 -2.853 206 HB2 MET 26 HB2 MET 26 2.155 -5.510 -2.750 207 HB3 MET 26 HB1 MET 26 0.563 -4.860 -3.127 208 HG2 MET 26 HG2 MET 26 1.464 -4.029 -5.278 209 HG3 MET 26 HG1 MET 26 2.993 -4.820 -4.902 210 HE1 MET 26 HE1 MET 26 1.589 -7.097 -7.723 211 HE2 MET 26 HE2 MET 26 2.973 -6.165 -7.147 212 HE3 MET 26 HE3 MET 26 1.479 -5.341 -7.597 213 H CYS 27 HN CYS 27 2.895 -1.754 -4.457 214 HA CYS 27 HA CYS 27 0.668 0.044 -4.445 215 HB2 CYS 27 HB2 CYS 27 2.866 -0.263 -6.500 216 HB3 CYS 27 HB1 CYS 27 1.760 1.095 -6.369 217 H VAL 28 HN VAL 28 -1.195 -0.177 -5.518 218 HA VAL 28 HA VAL 28 -2.030 -2.430 -6.846 219 HB VAL 28 HB VAL 28 -3.034 0.385 -7.306 220 HG11 VAL 28 HG11 VAL 28 -5.139 -0.676 -7.963 221 HG12 VAL 28 HG12 VAL 28 -4.399 -2.266 -7.784 222 HG13 VAL 28 HG13 VAL 28 -3.820 -1.159 -9.030 223 HG21 VAL 28 HG21 VAL 28 -4.712 -0.176 -5.596 224 HG22 VAL 28 HG22 VAL 28 -3.071 -0.195 -4.954 225 HG23 VAL 28 HG23 VAL 28 -3.894 -1.712 -5.316 226 H GLY 29 HN GLY 29 -0.846 0.581 -8.352 227 HA2 GLY 29 HA2 GLY 29 0.695 -0.572 -10.299 228 HA3 GLY 29 HA1 GLY 29 -0.919 -0.517 -10.991 229 H ALA 30 HN ALA 30 -0.426 0.935 -12.567 230 HA ALA 30 HA ALA 30 -0.635 3.685 -11.928 231 HB1 ALA 30 HB1 ALA 30 1.754 3.418 -11.388 232 HB2 ALA 30 HB2 ALA 30 1.519 4.454 -12.797 233 HB3 ALA 30 HB3 ALA 30 2.043 2.784 -13.008 234 H THR 31 HN THR 31 -0.204 4.981 -14.123 235 HA THR 31 HA THR 31 -1.726 3.676 -16.170 236 HB THR 31 HB THR 31 -0.071 6.179 -16.530 237 HG1 THR 31 HG1 THR 31 -2.381 5.728 -15.024 238 HG21 THR 31 HG21 THR 31 -1.834 6.758 -18.136 239 HG22 THR 31 HG22 THR 31 -2.650 5.233 -17.790 240 HG23 THR 31 HG23 THR 31 -1.062 5.229 -18.557 241 H GLN 32 HN GLN 32 1.665 4.395 -15.624 242 HA GLN 32 HA GLN 32 2.347 2.393 -17.660 243 HB2 GLN 32 HB2 GLN 32 3.799 4.994 -17.126 244 HB3 GLN 32 HB1 GLN 32 4.435 3.691 -18.122 245 HG2 GLN 32 HG2 GLN 32 2.572 3.940 -19.662 246 HG3 GLN 32 HG1 GLN 32 1.899 5.222 -18.656 247 HE21 GLN 32 HE21 GLN 32 2.845 7.241 -18.660 248 HE22 GLN 32 HE22 GLN 32 4.036 7.714 -19.828 249 HA PRO 33 HA PRO 33 4.278 1.245 -13.700 250 HB2 PRO 33 HB2 PRO 33 2.970 -1.070 -13.334 251 HB3 PRO 33 HB1 PRO 33 2.206 0.489 -13.011 252 HG2 PRO 33 HG2 PRO 33 1.710 -1.420 -15.194 253 HG3 PRO 33 HG1 PRO 33 0.668 -0.135 -14.566 254 HD2 PRO 33 HD2 PRO 33 2.408 -0.092 -16.885 255 HD3 PRO 33 HD1 PRO 33 1.251 1.141 -16.343 256 H PHE 34 HN PHE 34 4.795 -1.394 -13.161 257 HA PHE 34 HA PHE 34 6.682 -2.111 -15.304 258 HD1 PHE 34 HD2 PHE 34 6.974 -0.132 -11.886 259 HD2 PHE 34 HD1 PHE 34 9.624 -2.009 -14.633 260 HE1 PHE 34 HE2 PHE 34 8.408 1.868 -11.864 261 HE2 PHE 34 HE1 PHE 34 11.061 -0.014 -14.622 262 HZ PHE 34 HZ PHE 34 10.456 1.929 -13.235 263 HB2 PHE 34 HB2 PHE 34 6.866 -2.515 -12.307 264 HB3 PHE 34 HB1 PHE 34 7.957 -3.282 -13.455 265 H ASP 35 HN ASP 35 6.307 -3.923 -16.337 266 HA ASP 35 HA ASP 35 5.538 -5.978 -16.918 267 HB2 ASP 35 HB2 ASP 35 6.486 -6.768 -14.766 268 HB3 ASP 35 HB1 ASP 35 4.965 -6.382 -13.970 269 H HIS 36 HN HIS 36 3.372 -5.277 -14.194 270 HA HIS 36 HA HIS 36 1.224 -4.558 -16.008 271 HD1 HIS 36 HD1 HIS 36 2.398 -8.409 -15.878 272 HD2 HIS 36 HD2 HIS 36 -0.931 -6.518 -17.519 273 HE1 HIS 36 HE1 HIS 36 2.009 -9.513 -18.111 274 HE2 HIS 36 HE2 HIS 36 -0.011 -8.358 -19.087 275 HB2 HIS 36 HB2 HIS 36 1.062 -6.972 -14.200 276 HB3 HIS 36 HB1 HIS 36 -0.370 -6.140 -14.791 277 HA PRO 37 HA PRO 37 0.382 -2.894 -11.689 278 HB2 PRO 37 HB2 PRO 37 1.068 -4.272 -9.478 279 HB3 PRO 37 HB1 PRO 37 -0.321 -4.732 -10.465 280 HG2 PRO 37 HG2 PRO 37 2.239 -6.105 -10.126 281 HG3 PRO 37 HG1 PRO 37 0.725 -6.716 -10.809 282 HD2 PRO 37 HD2 PRO 37 3.077 -5.662 -12.189 283 HD3 PRO 37 HD1 PRO 37 1.692 -6.552 -12.854 284 H HIS 38 HN HIS 38 1.919 -2.865 -9.180 285 HA HIS 38 HA HIS 38 4.532 -1.956 -10.187 286 HD2 HIS 38 HD2 HIS 38 5.140 0.035 -10.905 287 HE1 HIS 38 HE1 HIS 38 6.848 2.492 -7.909 288 HE2 HIS 38 HE2 HIS 38 6.576 2.117 -10.377 289 HB2 HIS 38 HB2 HIS 38 2.792 -0.519 -8.622 290 HB3 HIS 38 HB1 HIS 38 3.867 -1.224 -7.416 291 H ILE 39 HN ILE 39 5.961 -2.104 -7.772 292 HA ILE 39 HA ILE 39 6.336 -4.971 -7.793 293 HB ILE 39 HB ILE 39 8.096 -2.840 -7.767 294 HG12 ILE 39 HG12 ILE 39 9.823 -4.644 -7.549 295 HG13 ILE 39 HG11 ILE 39 8.517 -5.767 -7.168 296 HG21 ILE 39 HG21 ILE 39 7.832 -2.490 -5.380 297 HG22 ILE 39 HG22 ILE 39 9.445 -3.111 -5.733 298 HG23 ILE 39 HG23 ILE 39 8.213 -4.185 -5.070 299 HD11 ILE 39 HD11 ILE 39 9.177 -5.932 -9.497 300 HD12 ILE 39 HD12 ILE 39 8.822 -4.219 -9.729 301 HD13 ILE 39 HD13 ILE 39 7.519 -5.349 -9.350 302 H PHE 40 HN PHE 40 6.472 -6.260 -5.934 303 HA PHE 40 HA PHE 40 4.642 -5.631 -3.826 304 HD1 PHE 40 HD1 PHE 40 5.938 -8.020 -6.529 305 HD2 PHE 40 HD2 PHE 40 3.276 -8.679 -3.271 306 HE1 PHE 40 HE1 PHE 40 4.424 -9.255 -8.022 307 HE2 PHE 40 HE2 PHE 40 1.753 -9.911 -4.762 308 HZ PHE 40 HZ PHE 40 2.329 -10.202 -7.140 309 HB2 PHE 40 HB2 PHE 40 6.647 -7.894 -4.079 310 HB3 PHE 40 HB1 PHE 40 5.386 -7.797 -2.861 311 H ILE 41 HN ILE 41 5.099 -4.492 -2.039 312 HA ILE 41 HA ILE 41 7.916 -3.987 -1.418 313 HB ILE 41 HB ILE 41 5.496 -2.553 -0.319 314 HG12 ILE 41 HG12 ILE 41 7.318 -1.705 -2.581 315 HG13 ILE 41 HG11 ILE 41 5.696 -2.354 -2.800 316 HG21 ILE 41 HG21 ILE 41 7.482 -2.340 1.064 317 HG22 ILE 41 HG22 ILE 41 7.138 -0.810 0.256 318 HG23 ILE 41 HG23 ILE 41 8.431 -1.850 -0.340 319 HD11 ILE 41 HD11 ILE 41 5.727 0.069 -2.965 320 HD12 ILE 41 HD12 ILE 41 6.395 0.176 -1.336 321 HD13 ILE 41 HD13 ILE 41 4.772 -0.466 -1.583 322 H ASP 42 HN ASP 42 8.281 -5.988 -0.403 323 HA ASP 42 HA ASP 42 6.891 -6.478 2.123 324 HB2 ASP 42 HB2 ASP 42 7.326 -8.446 0.768 325 HB3 ASP 42 HB1 ASP 42 9.030 -8.031 0.628 326 H MET 43 HN MET 43 7.731 -5.953 4.037 327 HA MET 43 HA MET 43 10.597 -5.423 4.182 328 HB2 MET 43 HB2 MET 43 10.215 -3.382 5.541 329 HB3 MET 43 HB1 MET 43 9.726 -3.223 3.865 330 HG2 MET 43 HG2 MET 43 7.382 -3.527 4.538 331 HG3 MET 43 HG1 MET 43 7.900 -3.635 6.223 332 HE1 MET 43 HE1 MET 43 5.706 -1.527 5.278 333 HE2 MET 43 HE2 MET 43 6.249 -0.073 6.117 334 HE3 MET 43 HE3 MET 43 6.287 -1.633 6.939 335 H GLY 44 HN GLY 44 9.827 -7.696 4.959 336 HA2 GLY 44 HA2 GLY 44 8.919 -7.945 7.629 337 HA3 GLY 44 HA1 GLY 44 9.809 -9.162 6.725 338 H SER 45 HN SER 45 11.995 -7.201 6.243 339 HA SER 45 HA SER 45 13.517 -7.767 8.608 340 HG SER 45 HG SER 45 13.574 -7.008 5.089 341 HB2 SER 45 HB2 SER 45 15.262 -6.383 7.257 342 HB3 SER 45 HB1 SER 45 14.761 -7.959 6.641 343 H THR 46 HN THR 46 13.402 -4.672 6.900 344 HA THR 46 HA THR 46 13.313 -3.275 9.473 345 HB THR 46 HB THR 46 13.806 -2.122 6.716 346 HG1 THR 46 HG1 THR 46 16.066 -2.161 7.522 347 HG21 THR 46 HG21 THR 46 14.402 -1.039 9.476 348 HG22 THR 46 HG22 THR 46 13.124 -0.478 8.401 349 HG23 THR 46 HG23 THR 46 14.813 -0.256 7.949 350 H ASP 47 HN ASP 47 11.547 -2.092 10.095 351 HA ASP 47 HA ASP 47 9.115 -2.498 8.586 352 HB2 ASP 47 HB2 ASP 47 9.586 -1.060 11.207 353 HB3 ASP 47 HB1 ASP 47 8.005 -1.402 10.513 354 H GLU 48 HN GLU 48 11.385 -0.501 7.898 355 HA GLU 48 HA GLU 48 9.550 1.605 7.020 356 HB2 GLU 48 HB2 GLU 48 12.346 2.032 8.107 357 HB3 GLU 48 HB1 GLU 48 11.374 3.271 7.325 358 HG2 GLU 48 HG2 GLU 48 9.745 3.180 9.091 359 HG3 GLU 48 HG1 GLU 48 10.591 1.827 9.844 360 H LYS 49 HN LYS 49 9.458 1.331 4.879 361 HA LYS 49 HA LYS 49 11.956 1.016 3.397 362 HB2 LYS 49 HB2 LYS 49 11.031 -1.261 3.894 363 HB3 LYS 49 HB1 LYS 49 9.596 -0.824 2.981 364 HG2 LYS 49 HG2 LYS 49 10.859 -0.638 0.960 365 HG3 LYS 49 HG1 LYS 49 12.377 -0.853 1.838 366 HD2 LYS 49 HD2 LYS 49 11.596 -3.111 2.522 367 HD3 LYS 49 HD1 LYS 49 10.171 -2.881 1.502 368 HE2 LYS 49 HE2 LYS 49 11.489 -2.783 -0.464 369 HE3 LYS 49 HE1 LYS 49 12.986 -2.681 0.463 370 HZ1 LYS 49 HZ1 LYS 49 12.448 -4.907 -0.529 371 HZ2 LYS 49 HZ2 LYS 49 11.186 -5.030 0.592 372 HZ3 LYS 49 HZ3 LYS 49 12.788 -4.910 1.130 373 H ILE 50 HN ILE 50 11.747 1.525 1.140 374 HA ILE 50 HA ILE 50 9.427 3.264 0.629 375 HB ILE 50 HB ILE 50 11.547 4.499 0.972 376 HG12 ILE 50 HG12 ILE 50 10.549 4.603 -1.883 377 HG13 ILE 50 HG11 ILE 50 9.809 5.424 -0.512 378 HG21 ILE 50 HG21 ILE 50 12.491 2.990 -1.459 379 HG22 ILE 50 HG22 ILE 50 13.111 2.827 0.184 380 HG23 ILE 50 HG23 ILE 50 13.338 4.337 -0.699 381 HD11 ILE 50 HD11 ILE 50 12.566 5.943 -1.602 382 HD12 ILE 50 HD12 ILE 50 11.829 6.763 -0.226 383 HD13 ILE 50 HD13 ILE 50 11.141 6.955 -1.838 384 H CYS 51 HN CYS 51 8.708 3.405 -1.578 385 HA CYS 51 HA CYS 51 9.293 1.043 -3.197 386 HB2 CYS 51 HB2 CYS 51 6.916 1.824 -2.791 387 HB3 CYS 51 HB1 CYS 51 7.293 3.270 -3.714 388 HA PRO 52 HA PRO 52 12.745 3.414 -4.754 389 HB2 PRO 52 HB2 PRO 52 12.329 1.466 -6.991 390 HB3 PRO 52 HB1 PRO 52 13.830 1.954 -6.193 391 HG2 PRO 52 HG2 PRO 52 12.671 -0.357 -5.578 392 HG3 PRO 52 HG1 PRO 52 13.413 0.649 -4.320 393 HD2 PRO 52 HD2 PRO 52 10.543 0.173 -4.913 394 HD3 PRO 52 HD1 PRO 52 11.332 0.549 -3.370 395 H TYR 53 HN TYR 53 10.433 2.377 -7.262 396 HA TYR 53 HA TYR 53 10.853 4.892 -8.655 397 HD1 TYR 53 HD2 TYR 53 11.892 4.272 -11.234 398 HD2 TYR 53 HD1 TYR 53 10.822 0.721 -9.142 399 HE1 TYR 53 HE2 TYR 53 13.975 3.207 -11.988 400 HE2 TYR 53 HE1 TYR 53 12.906 -0.351 -9.891 401 HH TYR 53 HH TYR 53 15.452 1.429 -11.406 402 HB2 TYR 53 HB2 TYR 53 9.216 2.467 -9.435 403 HB3 TYR 53 HB1 TYR 53 9.558 3.852 -10.468 404 H CYS 54 HN CYS 54 9.759 5.608 -6.439 405 HA CYS 54 HA CYS 54 7.189 6.669 -7.205 406 HB2 CYS 54 HB2 CYS 54 7.454 4.716 -4.937 407 HB3 CYS 54 HB1 CYS 54 6.271 6.011 -4.845 408 H SER 55 HN SER 55 9.499 6.233 -4.547 409 HA SER 55 HA SER 55 10.205 7.566 -2.862 410 HG SER 55 HG SER 55 10.443 11.092 -3.220 411 HB2 SER 55 HB2 SER 55 10.797 9.127 -4.756 412 HB3 SER 55 HB1 SER 55 9.239 9.916 -4.516 413 H THR 56 HN THR 56 8.810 6.921 -1.305 414 HA THR 56 HA THR 56 6.503 8.318 -0.526 415 HB THR 56 HB THR 56 5.957 5.596 -1.759 416 HG1 THR 56 HG1 THR 56 5.978 8.119 -2.959 417 HG21 THR 56 HG21 THR 56 4.123 7.810 -0.845 418 HG22 THR 56 HG22 THR 56 4.405 6.277 -0.019 419 HG23 THR 56 HG23 THR 56 3.608 6.299 -1.594 420 H LEU 57 HN LEU 57 8.493 7.853 0.963 421 HA LEU 57 HA LEU 57 9.277 5.337 1.780 422 HG LEU 57 HG LEU 57 9.751 5.936 4.843 423 HB2 LEU 57 HB2 LEU 57 10.483 7.400 2.301 424 HB3 LEU 57 HB1 LEU 57 9.212 7.876 3.411 425 HD11 LEU 57 HD11 LEU 57 11.781 4.656 4.443 426 HD12 LEU 57 HD12 LEU 57 12.044 5.522 2.931 427 HD13 LEU 57 HD13 LEU 57 10.647 4.461 3.106 428 HD21 LEU 57 HD21 LEU 57 11.882 6.794 5.684 429 HD22 LEU 57 HD22 LEU 57 10.762 8.100 5.297 430 HD23 LEU 57 HD23 LEU 57 12.090 7.725 4.199 431 H TYR 58 HN TYR 58 7.987 3.775 2.460 432 HA TYR 58 HA TYR 58 5.580 4.353 3.934 433 HD1 TYR 58 HD2 TYR 58 3.484 3.351 2.509 434 HD2 TYR 58 HD1 TYR 58 7.111 1.986 0.751 435 HE1 TYR 58 HE2 TYR 58 2.561 3.798 0.274 436 HE2 TYR 58 HE1 TYR 58 6.198 2.438 -1.489 437 HH TYR 58 HH TYR 58 3.446 4.302 -2.006 438 HB2 TYR 58 HB2 TYR 58 6.770 1.707 3.068 439 HB3 TYR 58 HB1 TYR 58 5.168 1.924 3.772 440 H ARG 59 HN ARG 59 5.512 4.547 6.007 441 HA ARG 59 HA ARG 59 7.667 3.365 7.629 442 HE ARG 59 HE ARG 59 7.487 6.831 11.914 443 HB2 ARG 59 HB2 ARG 59 7.723 5.809 7.484 444 HB3 ARG 59 HB1 ARG 59 6.066 5.893 8.048 445 HG2 ARG 59 HG2 ARG 59 6.688 5.148 10.221 446 HG3 ARG 59 HG1 ARG 59 8.330 4.773 9.679 447 HD2 ARG 59 HD2 ARG 59 8.804 7.081 9.285 448 HD3 ARG 59 HD1 ARG 59 7.121 7.528 9.546 449 HH11 ARG 59 HH11 ARG 59 10.222 7.707 9.902 450 HH12 ARG 59 HH12 ARG 59 11.150 8.370 11.218 451 HH21 ARG 59 HH21 ARG 59 8.700 7.716 13.649 452 HH22 ARG 59 HH22 ARG 59 10.275 8.382 13.345 453 H TYR 60 HN TYR 60 6.982 1.680 8.766 454 HA TYR 60 HA TYR 60 4.233 1.690 9.806 455 HD1 TYR 60 HD2 TYR 60 2.469 -0.110 9.820 456 HD2 TYR 60 HD1 TYR 60 5.945 -2.311 10.903 457 HE1 TYR 60 HE2 TYR 60 1.090 -1.588 11.223 458 HE2 TYR 60 HE1 TYR 60 4.577 -3.793 12.310 459 HH TYR 60 HH TYR 60 2.486 -3.882 13.419 460 HB2 TYR 60 HB2 TYR 60 4.746 -0.230 8.391 461 HB3 TYR 60 HB1 TYR 60 6.157 -0.605 9.369 462 H ASP 61 HN ASP 61 4.182 2.506 11.779 463 HA ASP 61 HA ASP 61 6.131 1.524 13.752 464 HB2 ASP 61 HB2 ASP 61 6.768 3.805 13.241 465 HB3 ASP 61 HB1 ASP 61 5.108 4.357 13.437 466 HA PRO 62 HA PRO 62 2.672 -0.009 15.976 467 HB2 PRO 62 HB2 PRO 62 4.147 0.972 18.373 468 HB3 PRO 62 HB1 PRO 62 3.463 -0.624 18.046 469 HG2 PRO 62 HG2 PRO 62 6.074 -0.230 17.843 470 HG3 PRO 62 HG1 PRO 62 5.223 -1.238 16.659 471 HD2 PRO 62 HD2 PRO 62 6.244 1.554 16.390 472 HD3 PRO 62 HD1 PRO 62 6.200 0.247 15.190 473 H SER 63 HN SER 63 3.645 3.323 16.413 474 HA SER 63 HA SER 63 1.448 4.027 18.116 475 HG SER 63 HG SER 63 4.591 4.899 17.517 476 HB2 SER 63 HB2 SER 63 3.044 5.892 16.354 477 HB3 SER 63 HB1 SER 63 2.161 6.293 17.828 478 H LEU 64 HN LEU 64 1.881 3.589 14.732 479 HA LEU 64 HA LEU 64 -0.439 5.124 13.950 480 HG LEU 64 HG LEU 64 2.385 5.327 12.987 481 HB2 LEU 64 HB2 LEU 64 1.252 3.132 12.430 482 HB3 LEU 64 HB1 LEU 64 -0.049 4.072 11.727 483 HD11 LEU 64 HD11 LEU 64 3.257 5.611 10.747 484 HD12 LEU 64 HD12 LEU 64 1.870 4.761 10.071 485 HD13 LEU 64 HD13 LEU 64 3.023 3.895 11.086 486 HD21 LEU 64 HD21 LEU 64 0.282 6.396 11.101 487 HD22 LEU 64 HD22 LEU 64 1.678 7.286 11.706 488 HD23 LEU 64 HD23 LEU 64 0.415 6.768 12.823 489 H SER 65 HN SER 65 -2.471 4.382 13.803 490 HA SER 65 HA SER 65 -3.029 1.679 14.665 491 HG SER 65 HG SER 65 -5.158 1.577 15.585 492 HB2 SER 65 HB2 SER 65 -4.358 3.746 15.364 493 HB3 SER 65 HB1 SER 65 -5.037 3.741 13.738 494 H TYR 66 HN TYR 66 -4.445 0.254 13.393 495 HA TYR 66 HA TYR 66 -3.462 -0.008 10.743 496 HD1 TYR 66 HD2 TYR 66 -2.904 -2.828 10.183 497 HD2 TYR 66 HD1 TYR 66 -4.206 -1.995 14.144 498 HE1 TYR 66 HE2 TYR 66 -1.063 -4.195 11.066 499 HE2 TYR 66 HE1 TYR 66 -2.365 -3.358 15.042 500 HH TYR 66 HH TYR 66 0.276 -4.296 13.217 501 HB2 TYR 66 HB2 TYR 66 -5.624 -1.487 12.247 502 HB3 TYR 66 HB1 TYR 66 -5.127 -1.908 10.610 503 H ASN 67 HN ASN 67 -6.374 1.309 12.130 504 HA ASN 67 HA ASN 67 -7.622 1.730 9.548 505 HB2 ASN 67 HB2 ASN 67 -8.366 2.658 12.329 506 HB3 ASN 67 HB1 ASN 67 -9.314 3.015 10.889 507 HD21 ASN 67 HD21 ASN 67 -10.013 1.528 13.295 508 HD22 ASN 67 HD22 ASN 67 -10.486 -0.056 12.764 509 H GLN 68 HN GLN 68 -5.008 3.040 10.789 510 HA GLN 68 HA GLN 68 -5.657 5.775 9.916 511 HB2 GLN 68 HB2 GLN 68 -3.966 4.788 12.178 512 HB3 GLN 68 HB1 GLN 68 -3.548 6.305 11.392 513 HG2 GLN 68 HG2 GLN 68 -6.243 5.695 12.586 514 HG3 GLN 68 HG1 GLN 68 -4.954 6.574 13.411 515 HE21 GLN 68 HE21 GLN 68 -7.637 7.468 12.656 516 HE22 GLN 68 HE22 GLN 68 -7.416 8.854 11.640 517 H THR 69 HN THR 69 -3.791 6.975 9.037 518 HA THR 69 HA THR 69 -1.544 5.508 8.052 519 HB THR 69 HB THR 69 -3.261 4.751 6.461 520 HG1 THR 69 HG1 THR 69 -0.934 5.610 5.854 521 HG21 THR 69 HG21 THR 69 -4.799 6.623 6.532 522 HG22 THR 69 HG22 THR 69 -4.273 6.350 4.867 523 HG23 THR 69 HG23 THR 69 -3.590 7.681 5.803 524 H ASN 70 HN ASN 70 -1.553 7.516 5.708 525 HA ASN 70 HA ASN 70 -0.305 9.652 7.281 526 HB2 ASN 70 HB2 ASN 70 1.105 8.455 5.676 527 HB3 ASN 70 HB1 ASN 70 0.002 8.861 4.372 528 HD21 ASN 70 HD21 ASN 70 0.024 10.931 3.518 529 HD22 ASN 70 HD22 ASN 70 1.270 12.070 3.879 530 HA PRO 71 HA PRO 71 -3.508 12.555 6.512 531 HB2 PRO 71 HB2 PRO 71 -1.260 14.452 6.030 532 HB3 PRO 71 HB1 PRO 71 -2.641 14.600 7.123 533 HG2 PRO 71 HG2 PRO 71 -0.226 14.014 8.068 534 HG3 PRO 71 HG1 PRO 71 -1.674 13.239 8.738 535 HD2 PRO 71 HD2 PRO 71 0.384 12.126 6.874 536 HD3 PRO 71 HD1 PRO 71 -0.514 11.324 8.179 537 H THR 72 HN THR 72 -4.657 12.851 4.752 538 HA THR 72 HA THR 72 -5.315 12.984 2.605 539 HB THR 72 HB THR 72 -4.179 14.731 1.193 540 HG1 THR 72 HG1 THR 72 -2.177 14.373 2.813 541 HG21 THR 72 HG21 THR 72 -6.078 15.269 2.622 542 HG22 THR 72 HG22 THR 72 -4.925 16.604 2.586 543 HG23 THR 72 HG23 THR 72 -4.992 15.533 3.987 544 H GLY 73 HN GLY 73 -4.813 10.801 2.167 545 HA2 GLY 73 HA2 GLY 73 -3.365 10.419 -0.202 546 HA3 GLY 73 HA1 GLY 73 -2.353 9.905 1.140 547 H CYS 74 HN CYS 74 -2.601 7.882 -0.158 548 HA CYS 74 HA CYS 74 -3.381 5.806 -0.555 549 HG CYS 74 HG CYS 74 -5.484 7.384 2.450 550 HB2 CYS 74 HB2 CYS 74 -4.053 4.554 1.349 551 HB3 CYS 74 HB1 CYS 74 -2.937 5.780 1.933 552 H LEU 75 HN LEU 75 -5.701 4.459 0.285 553 HA LEU 75 HA LEU 75 -7.936 4.182 -0.027 554 HG LEU 75 HG LEU 75 -9.859 5.431 1.407 555 HB2 LEU 75 HB2 LEU 75 -7.812 6.575 1.062 556 HB3 LEU 75 HB1 LEU 75 -8.287 7.109 -0.533 557 HD11 LEU 75 HD11 LEU 75 -11.492 7.235 1.093 558 HD12 LEU 75 HD12 LEU 75 -10.365 8.041 -0.002 559 HD13 LEU 75 HD13 LEU 75 -9.945 7.829 1.699 560 HD21 LEU 75 HD21 LEU 75 -10.519 5.957 -1.491 561 HD22 LEU 75 HD22 LEU 75 -11.606 5.241 -0.304 562 HD23 LEU 75 HD23 LEU 75 -10.137 4.391 -0.780 563 H TYR 76 HN TYR 76 -7.637 3.077 -2.013 564 HA TYR 76 HA TYR 76 -7.592 4.585 -4.475 565 HD1 TYR 76 HD2 TYR 76 -6.444 3.737 -6.701 566 HD2 TYR 76 HD1 TYR 76 -9.116 0.612 -5.609 567 HE1 TYR 76 HE2 TYR 76 -6.953 3.351 -9.074 568 HE2 TYR 76 HE1 TYR 76 -9.633 0.218 -7.980 569 HH TYR 76 HH TYR 76 -7.796 1.599 -10.522 570 HB2 TYR 76 HB2 TYR 76 -6.362 2.492 -4.417 571 HB3 TYR 76 HB1 TYR 76 -7.817 1.612 -3.959 572 H ASN 77 HN ASN 77 -9.306 5.204 -5.617 573 HA ASN 77 HA ASN 77 -11.956 4.359 -4.718 574 HB2 ASN 77 HB2 ASN 77 -11.077 6.593 -6.558 575 HB3 ASN 77 HB1 ASN 77 -12.758 6.212 -6.213 576 HD21 ASN 77 HD21 ASN 77 -12.263 5.568 -3.424 577 HD22 ASN 77 HD22 ASN 77 -11.987 7.076 -2.624 578 HA PRO 78 HA PRO 78 -11.932 1.639 -8.318 579 HB2 PRO 78 HB2 PRO 78 -14.441 0.627 -7.238 580 HB3 PRO 78 HB1 PRO 78 -12.901 -0.212 -7.430 581 HG2 PRO 78 HG2 PRO 78 -13.930 0.444 -5.007 582 HG3 PRO 78 HG1 PRO 78 -12.188 0.340 -5.319 583 HD2 PRO 78 HD2 PRO 78 -13.945 2.764 -5.163 584 HD3 PRO 78 HD1 PRO 78 -12.302 2.518 -4.529 585 H LYS 79 HN LYS 79 -12.689 2.280 -10.231 586 HA LYS 79 HA LYS 79 -14.905 4.168 -10.309 587 HB2 LYS 79 HB2 LYS 79 -13.270 3.186 -12.652 588 HB3 LYS 79 HB1 LYS 79 -14.253 4.638 -12.567 589 HG2 LYS 79 HG2 LYS 79 -12.159 5.520 -12.364 590 HG3 LYS 79 HG1 LYS 79 -12.573 5.292 -10.664 591 HD2 LYS 79 HD2 LYS 79 -11.310 3.243 -10.580 592 HD3 LYS 79 HD1 LYS 79 -11.017 3.305 -12.318 593 HE2 LYS 79 HE2 LYS 79 -9.048 4.027 -11.101 594 HE3 LYS 79 HE1 LYS 79 -9.728 5.367 -12.020 595 HZ1 LYS 79 HZ1 LYS 79 -10.155 4.901 -9.116 596 HZ2 LYS 79 HZ2 LYS 79 -10.729 6.218 -10.010 597 HZ3 LYS 79 HZ3 LYS 79 -9.062 6.016 -9.775 598 H LEU 80 HN LEU 80 -16.298 3.864 -12.459 599 HA LEU 80 HA LEU 80 -17.580 1.289 -12.325 600 HG LEU 80 HG LEU 80 -18.656 4.225 -12.000 601 HB2 LEU 80 HB2 LEU 80 -17.958 3.578 -14.264 602 HB3 LEU 80 HB1 LEU 80 -18.981 2.160 -14.177 603 HD11 LEU 80 HD11 LEU 80 -19.882 5.066 -13.935 604 HD12 LEU 80 HD12 LEU 80 -20.953 4.838 -12.553 605 HD13 LEU 80 HD13 LEU 80 -20.954 3.667 -13.871 606 HD21 LEU 80 HD21 LEU 80 -20.465 1.819 -12.181 607 HD22 LEU 80 HD22 LEU 80 -20.512 3.049 -10.918 608 HD23 LEU 80 HD23 LEU 80 -19.095 2.013 -11.088 609 H GLU 81 HN GLU 81 -15.245 0.431 -12.801 610 HA GLU 81 HA GLU 81 -14.284 0.565 -15.458 611 HB2 GLU 81 HB2 GLU 81 -12.780 -1.283 -14.792 612 HB3 GLU 81 HB1 GLU 81 -12.759 0.059 -13.660 613 HG2 GLU 81 HG2 GLU 81 -13.133 -1.374 -12.026 614 HG3 GLU 81 HG1 GLU 81 -14.719 -1.705 -12.721 615 H HIS 82 HN HIS 82 -14.463 -0.810 -17.141 616 HA HIS 82 HA HIS 82 -16.271 -3.078 -16.932 617 HD1 HIS 82 HD1 HIS 82 -17.441 0.995 -17.181 618 HD2 HIS 82 HD2 HIS 82 -16.026 -0.498 -20.795 619 HE1 HIS 82 HE1 HIS 82 -16.772 3.006 -18.526 620 HE2 HIS 82 HE2 HIS 82 -15.695 2.063 -20.600 621 HB2 HIS 82 HB2 HIS 82 -17.482 -2.209 -19.036 622 HB3 HIS 82 HB1 HIS 82 -17.902 -1.487 -17.489 623 H HIS 83 HN HIS 83 -14.740 -4.508 -17.464 624 HA HIS 83 HA HIS 83 -12.974 -4.139 -19.704 625 HD1 HIS 83 HD1 HIS 83 -10.335 -6.718 -17.672 626 HD2 HIS 83 HD2 HIS 83 -13.106 -3.905 -16.369 627 HE1 HIS 83 HE1 HIS 83 -9.306 -5.633 -15.646 628 HE2 HIS 83 HE2 HIS 83 -11.115 -4.114 -14.743 629 HB2 HIS 83 HB2 HIS 83 -13.607 -6.654 -18.128 630 HB3 HIS 83 HB1 HIS 83 -12.273 -6.461 -19.257 631 H HIS 84 HN HIS 84 -15.634 -6.369 -18.982 632 HA HIS 84 HA HIS 84 -16.617 -5.991 -21.707 633 HD1 HIS 84 HD1 HIS 84 -16.412 -7.860 -24.063 634 HD2 HIS 84 HD2 HIS 84 -18.915 -9.625 -21.244 635 HE1 HIS 84 HE1 HIS 84 -18.285 -8.909 -25.374 636 HE2 HIS 84 HE2 HIS 84 -19.677 -10.130 -23.661 637 HB2 HIS 84 HB2 HIS 84 -15.366 -8.150 -21.670 638 HB3 HIS 84 HB1 HIS 84 -16.439 -8.717 -20.394 639 H HIS 85 HN HIS 85 -17.540 -8.046 -18.939 640 HA HIS 85 HA HIS 85 -20.116 -6.698 -18.784 641 HD1 HIS 85 HD1 HIS 85 -20.221 -9.052 -14.928 642 HD2 HIS 85 HD2 HIS 85 -22.614 -7.750 -18.066 643 HE1 HIS 85 HE1 HIS 85 -22.529 -8.821 -13.965 644 HE2 HIS 85 HE2 HIS 85 -23.991 -8.229 -15.928 645 HB2 HIS 85 HB2 HIS 85 -19.954 -9.164 -18.456 646 HB3 HIS 85 HB1 HIS 85 -18.950 -8.889 -17.039 647 H HIS 86 HN HIS 86 -17.919 -7.646 -16.176 648 HA HIS 86 HA HIS 86 -17.552 -4.791 -15.523 649 HD1 HIS 86 HD1 HIS 86 -15.757 -4.238 -13.117 650 HD2 HIS 86 HD2 HIS 86 -19.786 -4.724 -12.172 651 HE1 HIS 86 HE1 HIS 86 -16.329 -2.352 -11.558 652 HE2 HIS 86 HE2 HIS 86 -18.699 -2.795 -10.835 653 HB2 HIS 86 HB2 HIS 86 -18.745 -6.542 -13.838 654 HB3 HIS 86 HB1 HIS 86 -17.062 -6.833 -13.417 655 H HIS 87 HN HIS 87 -16.151 -7.983 -14.907 656 HA HIS 87 HA HIS 87 -13.688 -7.098 -16.224 657 HD1 HIS 87 HD1 HIS 87 -14.779 -7.633 -11.967 658 HD2 HIS 87 HD2 HIS 87 -13.335 -11.011 -13.927 659 HE1 HIS 87 HE1 HIS 87 -15.519 -9.597 -10.578 660 HE2 HIS 87 HE2 HIS 87 -14.559 -11.624 -11.727 661 HB2 HIS 87 HB2 HIS 87 -12.338 -8.415 -14.619 662 HB3 HIS 87 HB1 HIS 87 -13.174 -7.080 -13.843 Start of MODEL 9 1 HA MET 1 HA MET 1 -11.584 -10.317 11.084 2 H1 MET 1 HT1 MET 1 -11.530 -11.774 13.012 3 H2 MET 1 HT2 MET 1 -11.106 -13.086 12.028 4 H3 MET 1 HT3 MET 1 -12.611 -12.327 11.831 5 HB2 MET 1 HB2 MET 1 -9.004 -11.857 11.457 6 HB3 MET 1 HB1 MET 1 -9.132 -10.313 10.627 7 HG2 MET 1 HG2 MET 1 -9.794 -10.813 13.523 8 HG3 MET 1 HG1 MET 1 -8.317 -10.066 12.917 9 HE1 MET 1 HE1 MET 1 -8.217 -7.696 11.766 10 HE2 MET 1 HE2 MET 1 -9.637 -6.716 11.402 11 HE3 MET 1 HE3 MET 1 -9.378 -8.240 10.555 12 H ALA 2 HN ALA 2 -12.767 -10.775 9.299 13 HA ALA 2 HA ALA 2 -11.615 -12.736 7.421 14 HB1 ALA 2 HB1 ALA 2 -13.808 -13.405 8.298 15 HB2 ALA 2 HB2 ALA 2 -13.848 -13.123 6.556 16 HB3 ALA 2 HB3 ALA 2 -14.506 -11.915 7.661 17 H ASP 3 HN ASP 3 -10.257 -10.930 6.739 18 HA ASP 3 HA ASP 3 -11.261 -9.883 4.290 19 HB2 ASP 3 HB2 ASP 3 -12.119 -8.161 5.900 20 HB3 ASP 3 HB1 ASP 3 -10.454 -7.841 6.379 21 H TYR 4 HN TYR 4 -9.594 -10.326 3.005 22 HA TYR 4 HA TYR 4 -6.900 -10.264 4.195 23 HD1 TYR 4 HD2 TYR 4 -5.784 -12.931 4.711 24 HD2 TYR 4 HD1 TYR 4 -9.725 -13.046 3.109 25 HE1 TYR 4 HE2 TYR 4 -6.403 -14.645 6.362 26 HE2 TYR 4 HE1 TYR 4 -10.353 -14.754 4.758 27 HH TYR 4 HH TYR 4 -8.445 -15.482 7.459 28 HB2 TYR 4 HB2 TYR 4 -7.955 -11.944 1.911 29 HB3 TYR 4 HB1 TYR 4 -6.298 -11.968 2.505 30 H ASN 5 HN ASN 5 -8.639 -8.257 2.558 31 HA ASN 5 HA ASN 5 -6.716 -7.716 0.418 32 HB2 ASN 5 HB2 ASN 5 -9.109 -7.717 -0.195 33 HB3 ASN 5 HB1 ASN 5 -9.403 -6.434 0.975 34 HD21 ASN 5 HD21 ASN 5 -10.213 -5.148 -0.735 35 HD22 ASN 5 HD22 ASN 5 -9.141 -4.363 -1.843 36 H ILE 6 HN ILE 6 -5.182 -6.294 0.726 37 HA ILE 6 HA ILE 6 -4.930 -4.912 3.201 38 HB ILE 6 HB ILE 6 -2.870 -3.938 2.161 39 HG12 ILE 6 HG12 ILE 6 -3.694 -5.669 -0.187 40 HG13 ILE 6 HG11 ILE 6 -3.620 -3.912 -0.176 41 HG21 ILE 6 HG21 ILE 6 -3.189 -6.930 2.008 42 HG22 ILE 6 HG22 ILE 6 -2.788 -5.993 3.448 43 HG23 ILE 6 HG23 ILE 6 -1.654 -6.067 2.101 44 HD11 ILE 6 HD11 ILE 6 -1.272 -5.757 0.169 45 HD12 ILE 6 HD12 ILE 6 -1.214 -3.995 0.112 46 HD13 ILE 6 HD13 ILE 6 -1.710 -4.909 -1.314 47 HA PRO 7 HA PRO 7 -7.028 -1.116 2.464 48 HB2 PRO 7 HB2 PRO 7 -4.650 0.136 3.753 49 HB3 PRO 7 HB1 PRO 7 -6.366 0.302 4.149 50 HG2 PRO 7 HG2 PRO 7 -4.773 -1.191 5.665 51 HG3 PRO 7 HG1 PRO 7 -6.429 -1.713 5.302 52 HD2 PRO 7 HD2 PRO 7 -3.844 -2.675 4.155 53 HD3 PRO 7 HD1 PRO 7 -5.314 -3.588 4.551 54 H HIS 8 HN HIS 8 -7.140 -0.008 0.642 55 HA HIS 8 HA HIS 8 -4.704 0.394 -0.926 56 HD1 HIS 8 HD1 HIS 8 -5.382 -1.175 -3.921 57 HD2 HIS 8 HD2 HIS 8 -7.973 -1.995 -0.774 58 HE1 HIS 8 HE1 HIS 8 -5.765 -3.653 -3.985 59 HE2 HIS 8 HE2 HIS 8 -7.138 -4.149 -1.937 60 HB2 HIS 8 HB2 HIS 8 -7.609 0.725 -1.719 61 HB3 HIS 8 HB1 HIS 8 -6.233 0.908 -2.800 62 H PHE 9 HN PHE 9 -3.914 2.391 -1.446 63 HA PHE 9 HA PHE 9 -5.327 4.686 -0.261 64 HD1 PHE 9 HD1 PHE 9 -4.743 5.183 2.274 65 HD2 PHE 9 HD2 PHE 9 -1.814 2.426 0.887 66 HE1 PHE 9 HE1 PHE 9 -4.829 4.013 4.436 67 HE2 PHE 9 HE2 PHE 9 -1.890 1.250 3.045 68 HZ PHE 9 HZ PHE 9 -3.402 2.040 4.827 69 HB2 PHE 9 HB2 PHE 9 -2.333 4.278 -0.403 70 HB3 PHE 9 HB1 PHE 9 -3.163 5.658 0.312 71 H GLN 10 HN GLN 10 -5.205 6.663 -1.349 72 HA GLN 10 HA GLN 10 -4.315 6.459 -4.142 73 HB2 GLN 10 HB2 GLN 10 -6.020 8.156 -4.677 74 HB3 GLN 10 HB1 GLN 10 -6.732 6.713 -3.974 75 HG2 GLN 10 HG2 GLN 10 -7.048 7.799 -1.874 76 HG3 GLN 10 HG1 GLN 10 -6.135 9.209 -2.410 77 HE21 GLN 10 HE21 GLN 10 -8.386 7.538 -4.470 78 HE22 GLN 10 HE22 GLN 10 -9.585 8.783 -4.515 79 H ASN 11 HN ASN 11 -3.907 8.731 -5.086 80 HA ASN 11 HA ASN 11 -2.543 10.429 -3.116 81 HB2 ASN 11 HB2 ASN 11 -1.476 9.355 -5.713 82 HB3 ASN 11 HB1 ASN 11 -0.898 10.896 -5.086 83 HD21 ASN 11 HD21 ASN 11 -0.947 7.451 -4.638 84 HD22 ASN 11 HD22 ASN 11 0.272 7.400 -3.413 85 H ASP 12 HN ASP 12 -3.154 12.480 -3.210 86 HA ASP 12 HA ASP 12 -4.921 13.381 -5.305 87 HB2 ASP 12 HB2 ASP 12 -5.365 14.107 -3.031 88 HB3 ASP 12 HB1 ASP 12 -3.752 14.795 -2.896 89 H LEU 13 HN LEU 13 -1.742 14.281 -4.068 90 HA LEU 13 HA LEU 13 -1.097 15.417 -6.705 91 HG LEU 13 HG LEU 13 0.857 15.461 -3.542 92 HB2 LEU 13 HB2 LEU 13 0.427 16.956 -5.606 93 HB3 LEU 13 HB1 LEU 13 -1.194 17.142 -4.966 94 HD11 LEU 13 HD11 LEU 13 1.356 17.433 -2.165 95 HD12 LEU 13 HD12 LEU 13 0.368 18.422 -3.240 96 HD13 LEU 13 HD13 LEU 13 1.843 17.665 -3.845 97 HD21 LEU 13 HD21 LEU 13 -0.523 16.003 -1.590 98 HD22 LEU 13 HD22 LEU 13 -1.460 15.188 -2.842 99 HD23 LEU 13 HD23 LEU 13 -1.612 16.932 -2.620 100 H GLY 14 HN GLY 14 -0.186 13.290 -4.136 101 HA2 GLY 14 HA2 GLY 14 1.306 11.430 -4.683 102 HA3 GLY 14 HA1 GLY 14 2.283 12.585 -5.581 103 H TYR 15 HN TYR 15 1.776 11.082 -2.579 104 HA TYR 15 HA TYR 15 3.139 13.124 -1.032 105 HD1 TYR 15 HD1 TYR 15 1.489 13.712 1.149 106 HD2 TYR 15 HD2 TYR 15 -0.047 10.337 -0.930 107 HE1 TYR 15 HE1 TYR 15 -0.785 14.615 1.383 108 HE2 TYR 15 HE2 TYR 15 -2.329 11.224 -0.703 109 HH TYR 15 HH TYR 15 -2.944 14.433 0.380 110 HB2 TYR 15 HB2 TYR 15 2.213 10.354 -0.234 111 HB3 TYR 15 HB1 TYR 15 2.815 11.591 0.868 112 H LYS 16 HN LYS 16 5.125 12.722 0.115 113 HA LYS 16 HA LYS 16 6.951 11.255 -1.612 114 HB2 LYS 16 HB2 LYS 16 7.292 13.680 -0.825 115 HB3 LYS 16 HB1 LYS 16 7.753 12.980 0.721 116 HG2 LYS 16 HG2 LYS 16 9.719 13.471 -0.600 117 HG3 LYS 16 HG1 LYS 16 9.544 11.725 -0.398 118 HD2 LYS 16 HD2 LYS 16 10.160 12.281 -2.694 119 HD3 LYS 16 HD1 LYS 16 8.549 11.564 -2.629 120 HE2 LYS 16 HE2 LYS 16 7.644 13.929 -2.606 121 HE3 LYS 16 HE1 LYS 16 9.276 14.466 -2.996 122 HZ1 LYS 16 HZ1 LYS 16 7.935 14.249 -4.980 123 HZ2 LYS 16 HZ2 LYS 16 7.611 12.621 -4.624 124 HZ3 LYS 16 HZ3 LYS 16 9.189 13.106 -5.001 125 H ILE 17 HN ILE 17 5.938 11.320 1.760 126 HA ILE 17 HA ILE 17 7.107 8.629 2.028 127 HB ILE 17 HB ILE 17 7.032 10.767 4.177 128 HG12 ILE 17 HG12 ILE 17 9.393 9.432 2.826 129 HG13 ILE 17 HG11 ILE 17 8.835 11.071 2.508 130 HG21 ILE 17 HG21 ILE 17 6.574 8.565 5.106 131 HG22 ILE 17 HG22 ILE 17 8.176 9.123 5.593 132 HG23 ILE 17 HG23 ILE 17 8.013 7.918 4.318 133 HD11 ILE 17 HD11 ILE 17 9.346 11.690 4.812 134 HD12 ILE 17 HD12 ILE 17 10.764 11.063 3.971 135 HD13 ILE 17 HD13 ILE 17 9.902 10.044 5.123 136 H ILE 18 HN ILE 18 5.377 7.294 2.040 137 HA ILE 18 HA ILE 18 2.991 8.271 3.485 138 HB ILE 18 HB ILE 18 3.225 6.104 1.405 139 HG12 ILE 18 HG12 ILE 18 1.872 8.806 1.543 140 HG13 ILE 18 HG11 ILE 18 3.156 8.307 0.441 141 HG21 ILE 18 HG21 ILE 18 0.813 6.878 3.051 142 HG22 ILE 18 HG22 ILE 18 1.680 5.343 3.131 143 HG23 ILE 18 HG23 ILE 18 0.797 5.782 1.669 144 HD11 ILE 18 HD11 ILE 18 0.319 7.280 0.443 145 HD12 ILE 18 HD12 ILE 18 1.598 6.771 -0.658 146 HD13 ILE 18 HD13 ILE 18 1.013 8.435 -0.697 147 H GLU 19 HN GLU 19 2.614 7.588 5.427 148 HA GLU 19 HA GLU 19 4.014 5.245 6.448 149 HB2 GLU 19 HB2 GLU 19 2.357 7.318 7.899 150 HB3 GLU 19 HB1 GLU 19 3.351 6.074 8.651 151 HG2 GLU 19 HG2 GLU 19 5.353 7.069 7.783 152 HG3 GLU 19 HG1 GLU 19 4.417 8.242 6.857 153 H ILE 20 HN ILE 20 2.996 3.444 7.249 154 HA ILE 20 HA ILE 20 0.071 3.326 7.095 155 HB ILE 20 HB ILE 20 0.270 1.061 5.980 156 HG12 ILE 20 HG12 ILE 20 3.067 2.073 5.397 157 HG13 ILE 20 HG11 ILE 20 2.654 0.677 6.388 158 HG21 ILE 20 HG21 ILE 20 0.475 1.996 3.721 159 HG22 ILE 20 HG22 ILE 20 1.137 3.480 4.407 160 HG23 ILE 20 HG23 ILE 20 -0.520 3.003 4.773 161 HD11 ILE 20 HD11 ILE 20 2.156 0.963 3.435 162 HD12 ILE 20 HD12 ILE 20 1.733 -0.438 4.422 163 HD13 ILE 20 HD13 ILE 20 3.425 0.002 4.196 164 H GLY 21 HN GLY 21 -0.865 1.577 8.293 165 HA2 GLY 21 HA2 GLY 21 0.773 0.831 10.586 166 HA3 GLY 21 HA1 GLY 21 -0.970 0.653 10.448 167 H VAL 22 HN VAL 22 0.023 -0.529 7.639 168 HA VAL 22 HA VAL 22 0.240 -3.267 8.681 169 HB VAL 22 HB VAL 22 -1.680 -2.740 7.158 170 HG11 VAL 22 HG11 VAL 22 -0.611 -1.162 5.673 171 HG12 VAL 22 HG12 VAL 22 -1.256 -2.523 4.755 172 HG13 VAL 22 HG13 VAL 22 0.474 -2.419 5.078 173 HG21 VAL 22 HG21 VAL 22 -0.919 -5.024 7.429 174 HG22 VAL 22 HG22 VAL 22 0.274 -4.800 6.151 175 HG23 VAL 22 HG23 VAL 22 -1.445 -4.741 5.769 176 H LYS 23 HN LYS 23 1.922 -4.641 7.908 177 HA LYS 23 HA LYS 23 4.238 -3.067 7.058 178 HB2 LYS 23 HB2 LYS 23 4.109 -5.817 8.293 179 HB3 LYS 23 HB1 LYS 23 5.587 -4.949 7.893 180 HG2 LYS 23 HG2 LYS 23 4.862 -3.144 9.453 181 HG3 LYS 23 HG1 LYS 23 3.516 -4.177 9.935 182 HD2 LYS 23 HD2 LYS 23 5.320 -4.402 11.526 183 HD3 LYS 23 HD1 LYS 23 5.141 -5.910 10.627 184 HE2 LYS 23 HE2 LYS 23 7.004 -5.273 9.179 185 HE3 LYS 23 HE1 LYS 23 7.177 -3.755 10.059 186 HZ1 LYS 23 HZ1 LYS 23 8.781 -5.419 10.792 187 HZ2 LYS 23 HZ2 LYS 23 7.520 -6.466 11.227 188 HZ3 LYS 23 HZ3 LYS 23 7.723 -4.997 12.048 189 H GLU 24 HN GLU 24 1.992 -4.967 5.611 190 HA GLU 24 HA GLU 24 3.851 -5.581 3.423 191 HB2 GLU 24 HB2 GLU 24 1.532 -7.279 4.360 192 HB3 GLU 24 HB1 GLU 24 2.381 -7.529 2.843 193 HG2 GLU 24 HG2 GLU 24 3.426 -9.054 4.165 194 HG3 GLU 24 HG1 GLU 24 4.485 -7.662 4.392 195 H PHE 25 HN PHE 25 3.412 -4.192 1.853 196 HA PHE 25 HA PHE 25 0.719 -3.996 0.807 197 HD1 PHE 25 HD2 PHE 25 -1.334 -2.327 0.879 198 HD2 PHE 25 HD1 PHE 25 2.084 0.134 0.273 199 HE1 PHE 25 HE2 PHE 25 -2.639 -0.890 -0.639 200 HE2 PHE 25 HE1 PHE 25 0.788 1.571 -1.243 201 HZ PHE 25 HZ PHE 25 -1.580 1.058 -1.701 202 HB2 PHE 25 HB2 PHE 25 0.675 -2.234 2.499 203 HB3 PHE 25 HB1 PHE 25 2.167 -1.554 1.864 204 H MET 26 HN MET 26 0.733 -3.642 -1.371 205 HA MET 26 HA MET 26 3.379 -3.300 -2.594 206 HB2 MET 26 HB2 MET 26 2.099 -5.331 -3.210 207 HB3 MET 26 HB1 MET 26 0.817 -4.309 -3.845 208 HG2 MET 26 HG2 MET 26 2.285 -3.439 -5.543 209 HG3 MET 26 HG1 MET 26 3.650 -4.315 -4.854 210 HE1 MET 26 HE1 MET 26 3.031 -4.499 -7.911 211 HE2 MET 26 HE2 MET 26 3.187 -6.235 -8.184 212 HE3 MET 26 HE3 MET 26 4.315 -5.405 -7.111 213 H CYS 27 HN CYS 27 3.828 -1.650 -3.947 214 HA CYS 27 HA CYS 27 2.311 0.717 -3.753 215 HB2 CYS 27 HB2 CYS 27 4.642 0.954 -4.081 216 HB3 CYS 27 HB1 CYS 27 4.634 -0.105 -5.485 217 H VAL 28 HN VAL 28 0.509 1.215 -4.771 218 HA VAL 28 HA VAL 28 -0.196 -0.108 -7.264 219 HB VAL 28 HB VAL 28 -1.831 1.917 -5.731 220 HG11 VAL 28 HG11 VAL 28 -2.536 1.585 -8.036 221 HG12 VAL 28 HG12 VAL 28 -3.722 0.917 -6.914 222 HG13 VAL 28 HG13 VAL 28 -2.620 -0.158 -7.772 223 HG21 VAL 28 HG21 VAL 28 -1.856 -1.087 -5.486 224 HG22 VAL 28 HG22 VAL 28 -3.013 0.012 -4.739 225 HG23 VAL 28 HG23 VAL 28 -1.317 0.059 -4.259 226 H GLY 29 HN GLY 29 -0.902 3.231 -6.346 227 HA2 GLY 29 HA2 GLY 29 0.675 4.192 -8.626 228 HA3 GLY 29 HA1 GLY 29 -1.038 4.577 -8.553 229 H ALA 30 HN ALA 30 1.828 5.897 -8.095 230 HA ALA 30 HA ALA 30 0.783 7.831 -6.173 231 HB1 ALA 30 HB1 ALA 30 2.915 7.937 -4.973 232 HB2 ALA 30 HB2 ALA 30 3.546 6.623 -5.964 233 HB3 ALA 30 HB3 ALA 30 2.205 6.326 -4.857 234 H THR 31 HN THR 31 3.891 7.270 -7.820 235 HA THR 31 HA THR 31 3.533 9.838 -9.190 236 HB THR 31 HB THR 31 6.069 8.205 -8.912 237 HG1 THR 31 HG1 THR 31 4.899 10.220 -7.333 238 HG21 THR 31 HG21 THR 31 5.601 11.038 -9.852 239 HG22 THR 31 HG22 THR 31 6.068 9.670 -10.863 240 HG23 THR 31 HG23 THR 31 7.178 10.277 -9.634 241 H GLN 32 HN GLN 32 2.052 8.944 -10.693 242 HA GLN 32 HA GLN 32 1.496 8.290 -12.789 243 HB2 GLN 32 HB2 GLN 32 4.460 7.884 -13.215 244 HB3 GLN 32 HB1 GLN 32 3.236 7.971 -14.470 245 HG2 GLN 32 HG2 GLN 32 3.964 10.211 -12.595 246 HG3 GLN 32 HG1 GLN 32 4.535 10.039 -14.252 247 HE21 GLN 32 HE21 GLN 32 3.651 11.934 -14.959 248 HE22 GLN 32 HE22 GLN 32 1.940 12.186 -15.125 249 HA PRO 33 HA PRO 33 1.365 3.825 -12.782 250 HB2 PRO 33 HB2 PRO 33 0.771 3.777 -15.623 251 HB3 PRO 33 HB1 PRO 33 -0.315 3.473 -14.267 252 HG2 PRO 33 HG2 PRO 33 -0.516 5.651 -15.887 253 HG3 PRO 33 HG1 PRO 33 -1.039 5.641 -14.192 254 HD2 PRO 33 HD2 PRO 33 1.488 6.721 -15.390 255 HD3 PRO 33 HD1 PRO 33 0.457 7.414 -14.119 256 H PHE 34 HN PHE 34 2.673 2.080 -13.319 257 HA PHE 34 HA PHE 34 5.085 2.763 -14.855 258 HD1 PHE 34 HD2 PHE 34 7.212 2.887 -14.254 259 HD2 PHE 34 HD1 PHE 34 6.423 -1.108 -13.021 260 HE1 PHE 34 HE2 PHE 34 9.528 2.261 -14.811 261 HE2 PHE 34 HE1 PHE 34 8.735 -1.742 -13.571 262 HZ PHE 34 HZ PHE 34 10.292 -0.054 -14.471 263 HB2 PHE 34 HB2 PHE 34 5.284 1.996 -12.425 264 HB3 PHE 34 HB1 PHE 34 4.724 0.418 -12.962 265 H ASP 35 HN ASP 35 2.575 2.087 -16.058 266 HA ASP 35 HA ASP 35 1.739 0.914 -17.808 267 HB2 ASP 35 HB2 ASP 35 3.965 0.887 -18.781 268 HB3 ASP 35 HB1 ASP 35 4.417 -0.494 -17.786 269 H HIS 36 HN HIS 36 3.630 -1.316 -15.837 270 HA HIS 36 HA HIS 36 1.207 -2.942 -15.430 271 HD1 HIS 36 HD1 HIS 36 5.001 -4.207 -13.434 272 HD2 HIS 36 HD2 HIS 36 5.176 -3.121 -17.444 273 HE1 HIS 36 HE1 HIS 36 7.424 -3.697 -13.893 274 HE2 HIS 36 HE2 HIS 36 7.479 -2.899 -16.294 275 HB2 HIS 36 HB2 HIS 36 2.862 -4.774 -14.796 276 HB3 HIS 36 HB1 HIS 36 2.841 -4.325 -16.496 277 HA PRO 37 HA PRO 37 1.178 -2.356 -10.993 278 HB2 PRO 37 HB2 PRO 37 2.331 -4.807 -10.113 279 HB3 PRO 37 HB1 PRO 37 0.620 -4.382 -10.171 280 HG2 PRO 37 HG2 PRO 37 2.244 -5.945 -12.092 281 HG3 PRO 37 HG1 PRO 37 0.512 -6.051 -11.731 282 HD2 PRO 37 HD2 PRO 37 1.402 -4.958 -14.013 283 HD3 PRO 37 HD1 PRO 37 -0.018 -4.303 -13.167 284 H HIS 38 HN HIS 38 2.532 -1.647 -9.375 285 HA HIS 38 HA HIS 38 5.218 -1.061 -10.233 286 HD2 HIS 38 HD2 HIS 38 2.670 0.756 -10.819 287 HE1 HIS 38 HE1 HIS 38 4.731 4.342 -9.869 288 HE2 HIS 38 HE2 HIS 38 2.963 3.287 -11.299 289 HB2 HIS 38 HB2 HIS 38 3.525 -0.245 -7.895 290 HB3 HIS 38 HB1 HIS 38 5.254 0.068 -7.884 291 H ILE 39 HN ILE 39 6.027 -0.947 -7.325 292 HA ILE 39 HA ILE 39 7.125 -3.659 -7.271 293 HB ILE 39 HB ILE 39 8.130 -1.157 -5.900 294 HG12 ILE 39 HG12 ILE 39 8.164 -1.039 -8.393 295 HG13 ILE 39 HG11 ILE 39 9.771 -0.993 -7.667 296 HG21 ILE 39 HG21 ILE 39 10.209 -2.427 -5.599 297 HG22 ILE 39 HG22 ILE 39 9.439 -3.848 -6.306 298 HG23 ILE 39 HG23 ILE 39 8.849 -3.193 -4.778 299 HD11 ILE 39 HD11 ILE 39 10.094 -3.340 -8.225 300 HD12 ILE 39 HD12 ILE 39 9.710 -2.388 -9.659 301 HD13 ILE 39 HD13 ILE 39 8.473 -3.404 -8.919 302 H PHE 40 HN PHE 40 7.136 -4.841 -5.347 303 HA PHE 40 HA PHE 40 4.946 -4.188 -3.560 304 HD1 PHE 40 HD2 PHE 40 7.683 -7.119 -2.107 305 HD2 PHE 40 HD1 PHE 40 6.345 -7.069 -6.150 306 HE1 PHE 40 HE2 PHE 40 9.654 -8.431 -2.774 307 HE2 PHE 40 HE1 PHE 40 8.312 -8.386 -6.817 308 HZ PHE 40 HZ PHE 40 9.971 -9.067 -5.130 309 HB2 PHE 40 HB2 PHE 40 5.369 -6.528 -2.692 310 HB3 PHE 40 HB1 PHE 40 4.874 -6.416 -4.377 311 H ILE 41 HN ILE 41 5.109 -4.010 -1.347 312 HA ILE 41 HA ILE 41 7.834 -3.612 -0.319 313 HB ILE 41 HB ILE 41 5.287 -2.126 0.287 314 HG12 ILE 41 HG12 ILE 41 6.903 -0.166 0.127 315 HG13 ILE 41 HG11 ILE 41 8.105 -1.317 -0.442 316 HG21 ILE 41 HG21 ILE 41 7.728 -2.171 2.052 317 HG22 ILE 41 HG22 ILE 41 6.139 -2.826 2.451 318 HG23 ILE 41 HG23 ILE 41 6.346 -1.089 2.226 319 HD11 ILE 41 HD11 ILE 41 7.075 -0.144 -2.292 320 HD12 ILE 41 HD12 ILE 41 5.479 -0.690 -1.773 321 HD13 ILE 41 HD13 ILE 41 6.670 -1.859 -2.344 322 H ASP 42 HN ASP 42 8.400 -5.308 0.830 323 HA ASP 42 HA ASP 42 6.495 -6.357 2.816 324 HB2 ASP 42 HB2 ASP 42 8.832 -7.732 1.469 325 HB3 ASP 42 HB1 ASP 42 7.984 -8.393 2.860 326 H MET 43 HN MET 43 6.926 -5.622 4.793 327 HA MET 43 HA MET 43 9.564 -4.575 5.403 328 HB2 MET 43 HB2 MET 43 7.062 -4.699 7.093 329 HB3 MET 43 HB1 MET 43 8.549 -3.878 7.544 330 HG2 MET 43 HG2 MET 43 8.298 -2.362 5.663 331 HG3 MET 43 HG1 MET 43 6.819 -3.194 5.180 332 HE1 MET 43 HE1 MET 43 5.408 -0.988 5.178 333 HE2 MET 43 HE2 MET 43 6.862 -0.075 5.576 334 HE3 MET 43 HE3 MET 43 5.384 0.171 6.505 335 H GLY 44 HN GLY 44 10.346 -6.869 5.047 336 HA2 GLY 44 HA2 GLY 44 9.941 -8.637 7.319 337 HA3 GLY 44 HA1 GLY 44 10.915 -8.978 5.894 338 H SER 45 HN SER 45 12.678 -6.955 5.802 339 HA SER 45 HA SER 45 14.422 -7.589 7.994 340 HG SER 45 HG SER 45 15.026 -6.356 4.320 341 HB2 SER 45 HB2 SER 45 15.873 -5.841 6.630 342 HB3 SER 45 HB1 SER 45 15.623 -7.482 6.032 343 H THR 46 HN THR 46 13.197 -4.540 6.627 344 HA THR 46 HA THR 46 13.705 -3.247 9.215 345 HB THR 46 HB THR 46 13.433 -1.120 7.811 346 HG1 THR 46 HG1 THR 46 13.085 -1.355 5.730 347 HG21 THR 46 HG21 THR 46 15.615 -1.933 8.582 348 HG22 THR 46 HG22 THR 46 15.732 -1.227 6.971 349 HG23 THR 46 HG23 THR 46 15.728 -2.981 7.167 350 H ASP 47 HN ASP 47 12.125 -1.325 9.589 351 HA ASP 47 HA ASP 47 9.370 -2.272 9.131 352 HB2 ASP 47 HB2 ASP 47 10.440 -0.160 11.022 353 HB3 ASP 47 HB1 ASP 47 8.739 -0.573 10.852 354 H GLU 48 HN GLU 48 11.508 -0.523 7.576 355 HA GLU 48 HA GLU 48 9.505 1.310 6.486 356 HB2 GLU 48 HB2 GLU 48 11.341 3.010 6.221 357 HB3 GLU 48 HB1 GLU 48 10.848 2.707 7.882 358 HG2 GLU 48 HG2 GLU 48 12.795 1.155 8.091 359 HG3 GLU 48 HG1 GLU 48 13.319 1.695 6.497 360 H LYS 49 HN LYS 49 9.370 1.259 4.349 361 HA LYS 49 HA LYS 49 11.630 0.282 2.760 362 HB2 LYS 49 HB2 LYS 49 8.882 -0.900 2.892 363 HB3 LYS 49 HB1 LYS 49 9.748 -0.915 1.364 364 HG2 LYS 49 HG2 LYS 49 10.833 -2.067 3.925 365 HG3 LYS 49 HG1 LYS 49 9.977 -3.000 2.696 366 HD2 LYS 49 HD2 LYS 49 11.684 -2.251 1.040 367 HD3 LYS 49 HD1 LYS 49 12.571 -1.500 2.365 368 HE2 LYS 49 HE2 LYS 49 12.832 -3.662 3.444 369 HE3 LYS 49 HE1 LYS 49 11.891 -4.430 2.168 370 HZ1 LYS 49 HZ1 LYS 49 13.612 -3.660 0.578 371 HZ2 LYS 49 HZ2 LYS 49 14.191 -4.774 1.717 372 HZ3 LYS 49 HZ3 LYS 49 14.546 -3.122 1.891 373 H ILE 50 HN ILE 50 11.460 0.900 0.496 374 HA ILE 50 HA ILE 50 9.500 3.031 0.012 375 HB ILE 50 HB ILE 50 11.754 3.984 0.646 376 HG12 ILE 50 HG12 ILE 50 10.773 4.590 -2.155 377 HG13 ILE 50 HG11 ILE 50 10.097 5.258 -0.673 378 HG21 ILE 50 HG21 ILE 50 13.152 2.299 -0.435 379 HG22 ILE 50 HG22 ILE 50 13.542 3.920 -1.008 380 HG23 ILE 50 HG23 ILE 50 12.583 2.838 -2.017 381 HD11 ILE 50 HD11 ILE 50 12.886 5.711 -1.708 382 HD12 ILE 50 HD12 ILE 50 12.217 6.379 -0.218 383 HD13 ILE 50 HD13 ILE 50 11.544 6.853 -1.778 384 H CYS 51 HN CYS 51 8.871 3.280 -2.133 385 HA CYS 51 HA CYS 51 9.527 1.057 -3.897 386 HB2 CYS 51 HB2 CYS 51 7.177 1.529 -3.752 387 HB3 CYS 51 HB1 CYS 51 7.442 3.245 -4.036 388 HA PRO 52 HA PRO 52 12.786 3.601 -5.693 389 HB2 PRO 52 HB2 PRO 52 12.419 1.496 -7.778 390 HB3 PRO 52 HB1 PRO 52 13.909 2.100 -7.042 391 HG2 PRO 52 HG2 PRO 52 12.894 -0.258 -6.327 392 HG3 PRO 52 HG1 PRO 52 13.647 0.815 -5.134 393 HD2 PRO 52 HD2 PRO 52 10.767 0.220 -5.596 394 HD3 PRO 52 HD1 PRO 52 11.614 0.612 -4.086 395 H TYR 53 HN TYR 53 10.174 2.178 -7.625 396 HA TYR 53 HA TYR 53 10.098 4.545 -9.311 397 HD1 TYR 53 HD2 TYR 53 10.899 3.688 -11.668 398 HD2 TYR 53 HD1 TYR 53 9.710 0.168 -9.596 399 HE1 TYR 53 HE2 TYR 53 12.754 2.455 -12.710 400 HE2 TYR 53 HE1 TYR 53 11.565 -1.072 -10.628 401 HH TYR 53 HH TYR 53 12.985 -0.896 -12.685 402 HB2 TYR 53 HB2 TYR 53 8.372 2.064 -9.453 403 HB3 TYR 53 HB1 TYR 53 8.511 3.320 -10.680 404 H CYS 54 HN CYS 54 9.544 5.862 -7.478 405 HA CYS 54 HA CYS 54 7.167 7.061 -7.685 406 HB2 CYS 54 HB2 CYS 54 6.871 4.797 -5.761 407 HB3 CYS 54 HB1 CYS 54 6.063 6.319 -5.410 408 H SER 55 HN SER 55 9.488 5.997 -5.215 409 HA SER 55 HA SER 55 10.070 6.845 -3.201 410 HG SER 55 HG SER 55 9.125 9.431 -5.273 411 HB2 SER 55 HB2 SER 55 10.763 9.250 -3.173 412 HB3 SER 55 HB1 SER 55 11.449 8.324 -4.500 413 H THR 56 HN THR 56 8.452 6.421 -1.860 414 HA THR 56 HA THR 56 6.490 8.350 -1.125 415 HB THR 56 HB THR 56 5.446 5.719 -2.199 416 HG1 THR 56 HG1 THR 56 5.872 8.145 -3.632 417 HG21 THR 56 HG21 THR 56 3.996 7.010 -0.719 418 HG22 THR 56 HG22 THR 56 3.343 6.964 -2.356 419 HG23 THR 56 HG23 THR 56 4.158 8.415 -1.773 420 H LEU 57 HN LEU 57 8.469 7.450 0.287 421 HA LEU 57 HA LEU 57 8.896 4.877 0.997 422 HG LEU 57 HG LEU 57 10.817 4.649 2.388 423 HB2 LEU 57 HB2 LEU 57 10.183 7.026 1.565 424 HB3 LEU 57 HB1 LEU 57 9.182 7.097 3.001 425 HD11 LEU 57 HD11 LEU 57 12.348 6.546 2.306 426 HD12 LEU 57 HD12 LEU 57 12.608 5.589 3.765 427 HD13 LEU 57 HD13 LEU 57 11.734 7.119 3.859 428 HD21 LEU 57 HD21 LEU 57 9.830 5.871 4.968 429 HD22 LEU 57 HD22 LEU 57 10.742 4.369 4.815 430 HD23 LEU 57 HD23 LEU 57 9.114 4.485 4.147 431 H TYR 58 HN TYR 58 7.629 3.402 1.755 432 HA TYR 58 HA TYR 58 5.354 4.029 3.421 433 HD1 TYR 58 HD1 TYR 58 3.013 2.817 2.029 434 HD2 TYR 58 HD2 TYR 58 6.714 1.988 0.096 435 HE1 TYR 58 HE1 TYR 58 1.982 3.315 -0.149 436 HE2 TYR 58 HE2 TYR 58 5.690 2.475 -2.084 437 HH TYR 58 HH TYR 58 2.615 3.958 -2.384 438 HB2 TYR 58 HB2 TYR 58 6.364 1.356 2.404 439 HB3 TYR 58 HB1 TYR 58 4.818 1.640 3.198 440 H ARG 59 HN ARG 59 5.770 4.402 5.475 441 HA ARG 59 HA ARG 59 7.836 2.774 6.803 442 HE ARG 59 HE ARG 59 7.333 6.917 9.522 443 HB2 ARG 59 HB2 ARG 59 8.454 5.147 6.568 444 HB3 ARG 59 HB1 ARG 59 6.995 5.609 7.429 445 HG2 ARG 59 HG2 ARG 59 7.800 4.497 9.434 446 HG3 ARG 59 HG1 ARG 59 9.248 3.971 8.572 447 HD2 ARG 59 HD2 ARG 59 9.742 5.930 9.919 448 HD3 ARG 59 HD1 ARG 59 9.867 6.321 8.205 449 HH11 ARG 59 HH11 ARG 59 10.381 8.097 8.253 450 HH12 ARG 59 HH12 ARG 59 9.879 9.765 8.259 451 HH21 ARG 59 HH21 ARG 59 6.667 9.089 9.519 452 HH22 ARG 59 HH22 ARG 59 7.765 10.332 8.965 453 H TYR 60 HN TYR 60 7.220 1.549 8.432 454 HA TYR 60 HA TYR 60 4.560 1.896 9.577 455 HD1 TYR 60 HD2 TYR 60 2.950 -0.037 10.390 456 HD2 TYR 60 HD1 TYR 60 6.720 -1.132 12.029 457 HE1 TYR 60 HE2 TYR 60 1.817 -0.950 12.374 458 HE2 TYR 60 HE1 TYR 60 5.598 -2.046 14.017 459 HH TYR 60 HH TYR 60 2.201 -2.514 14.158 460 HB2 TYR 60 HB2 TYR 60 5.135 -0.368 8.972 461 HB3 TYR 60 HB1 TYR 60 6.644 -0.279 9.872 462 H ASP 61 HN ASP 61 4.199 2.706 11.543 463 HA ASP 61 HA ASP 61 6.520 3.169 13.301 464 HB2 ASP 61 HB2 ASP 61 5.742 5.275 12.219 465 HB3 ASP 61 HB1 ASP 61 4.149 5.021 12.926 466 HA PRO 62 HA PRO 62 4.268 0.714 16.182 467 HB2 PRO 62 HB2 PRO 62 5.565 2.337 18.290 468 HB3 PRO 62 HB1 PRO 62 5.625 0.595 18.013 469 HG2 PRO 62 HG2 PRO 62 7.724 2.143 17.459 470 HG3 PRO 62 HG1 PRO 62 7.292 0.775 16.416 471 HD2 PRO 62 HD2 PRO 62 6.808 3.699 16.004 472 HD3 PRO 62 HD1 PRO 62 7.308 2.463 14.831 473 H SER 63 HN SER 63 3.851 4.104 16.007 474 HA SER 63 HA SER 63 1.778 4.169 18.053 475 HG SER 63 HG SER 63 4.336 6.030 16.786 476 HB2 SER 63 HB2 SER 63 2.309 6.378 16.082 477 HB3 SER 63 HB1 SER 63 1.722 6.494 17.741 478 H LEU 64 HN LEU 64 2.112 3.443 14.761 479 HA LEU 64 HA LEU 64 -0.632 4.159 14.082 480 HG LEU 64 HG LEU 64 1.865 5.428 12.926 481 HB2 LEU 64 HB2 LEU 64 1.616 3.008 12.435 482 HB3 LEU 64 HB1 LEU 64 0.008 3.325 11.813 483 HD11 LEU 64 HD11 LEU 64 2.721 4.484 10.847 484 HD12 LEU 64 HD12 LEU 64 2.142 6.132 10.606 485 HD13 LEU 64 HD13 LEU 64 1.164 4.766 10.069 486 HD21 LEU 64 HD21 LEU 64 -0.761 5.661 11.462 487 HD22 LEU 64 HD22 LEU 64 0.272 7.003 11.951 488 HD23 LEU 64 HD23 LEU 64 -0.495 5.992 13.175 489 H SER 65 HN SER 65 -2.224 2.765 14.346 490 HA SER 65 HA SER 65 -1.719 -0.051 14.738 491 HG SER 65 HG SER 65 -2.466 1.317 16.513 492 HB2 SER 65 HB2 SER 65 -4.362 1.412 14.513 493 HB3 SER 65 HB1 SER 65 -4.093 -0.193 15.201 494 H TYR 66 HN TYR 66 -3.292 -1.588 13.447 495 HA TYR 66 HA TYR 66 -2.361 -1.501 10.777 496 HD1 TYR 66 HD2 TYR 66 -1.357 -4.023 10.287 497 HD2 TYR 66 HD1 TYR 66 -3.513 -4.053 13.954 498 HE1 TYR 66 HE2 TYR 66 0.404 -5.403 11.305 499 HE2 TYR 66 HE1 TYR 66 -1.756 -5.432 14.983 500 HH TYR 66 HH TYR 66 1.276 -5.865 13.615 501 HB2 TYR 66 HB2 TYR 66 -4.534 -3.200 12.017 502 HB3 TYR 66 HB1 TYR 66 -3.832 -3.473 10.428 503 H ASN 67 HN ASN 67 -5.197 -0.272 12.290 504 HA ASN 67 HA ASN 67 -6.666 0.026 9.809 505 HB2 ASN 67 HB2 ASN 67 -7.259 0.836 12.658 506 HB3 ASN 67 HB1 ASN 67 -8.319 1.234 11.311 507 HD21 ASN 67 HD21 ASN 67 -10.001 0.053 12.158 508 HD22 ASN 67 HD22 ASN 67 -10.014 -1.675 12.165 509 H GLN 68 HN GLN 68 -4.121 1.635 11.083 510 HA GLN 68 HA GLN 68 -5.165 4.309 10.433 511 HB2 GLN 68 HB2 GLN 68 -2.776 3.543 12.119 512 HB3 GLN 68 HB1 GLN 68 -3.295 5.189 11.783 513 HG2 GLN 68 HG2 GLN 68 -4.807 3.098 13.328 514 HG3 GLN 68 HG1 GLN 68 -4.032 4.544 13.973 515 HE21 GLN 68 HE21 GLN 68 -4.979 6.566 13.597 516 HE22 GLN 68 HE22 GLN 68 -6.635 6.714 13.088 517 H THR 69 HN THR 69 -3.418 5.833 9.628 518 HA THR 69 HA THR 69 -1.334 4.727 8.012 519 HB THR 69 HB THR 69 -3.276 4.167 6.610 520 HG1 THR 69 HG1 THR 69 -1.216 4.970 5.682 521 HG21 THR 69 HG21 THR 69 -3.832 7.135 6.594 522 HG22 THR 69 HG22 THR 69 -4.829 5.892 7.346 523 HG23 THR 69 HG23 THR 69 -4.649 5.934 5.592 524 H ASN 70 HN ASN 70 -1.590 7.030 6.127 525 HA ASN 70 HA ASN 70 -0.422 9.035 7.922 526 HB2 ASN 70 HB2 ASN 70 0.840 9.820 6.055 527 HB3 ASN 70 HB1 ASN 70 0.923 8.066 6.003 528 HD21 ASN 70 HD21 ASN 70 -1.839 7.877 4.880 529 HD22 ASN 70 HD22 ASN 70 -1.668 8.335 3.228 530 HA PRO 71 HA PRO 71 -3.090 12.526 7.494 531 HB2 PRO 71 HB2 PRO 71 -2.010 13.785 5.136 532 HB3 PRO 71 HB1 PRO 71 -1.882 14.294 6.820 533 HG2 PRO 71 HG2 PRO 71 0.030 12.770 5.171 534 HG3 PRO 71 HG1 PRO 71 0.319 13.730 6.631 535 HD2 PRO 71 HD2 PRO 71 0.455 11.052 6.661 536 HD3 PRO 71 HD1 PRO 71 -0.194 11.963 8.043 537 H THR 72 HN THR 72 -4.929 13.223 6.546 538 HA THR 72 HA THR 72 -6.296 11.490 4.851 539 HB THR 72 HB THR 72 -7.002 14.391 5.307 540 HG1 THR 72 HG1 THR 72 -8.219 13.366 7.141 541 HG21 THR 72 HG21 THR 72 -9.307 13.556 5.145 542 HG22 THR 72 HG22 THR 72 -8.696 11.929 4.838 543 HG23 THR 72 HG23 THR 72 -8.397 13.221 3.674 544 H GLY 73 HN GLY 73 -6.859 11.554 2.718 545 HA2 GLY 73 HA2 GLY 73 -6.824 13.101 0.660 546 HA3 GLY 73 HA1 GLY 73 -5.100 13.185 1.015 547 H CYS 74 HN CYS 74 -5.527 10.340 2.063 548 HA CYS 74 HA CYS 74 -5.109 8.990 -0.494 549 HG CYS 74 HG CYS 74 -3.757 9.433 3.487 550 HB2 CYS 74 HB2 CYS 74 -4.243 7.147 1.049 551 HB3 CYS 74 HB1 CYS 74 -3.304 8.637 1.014 552 H LEU 75 HN LEU 75 -5.683 6.410 1.004 553 HA LEU 75 HA LEU 75 -7.336 4.877 1.056 554 HG LEU 75 HG LEU 75 -9.407 5.958 3.840 555 HB2 LEU 75 HB2 LEU 75 -9.015 7.293 1.693 556 HB3 LEU 75 HB1 LEU 75 -9.708 5.691 1.552 557 HD11 LEU 75 HD11 LEU 75 -6.954 4.551 2.812 558 HD12 LEU 75 HD12 LEU 75 -8.534 3.835 3.135 559 HD13 LEU 75 HD13 LEU 75 -7.558 4.453 4.468 560 HD21 LEU 75 HD21 LEU 75 -8.111 8.008 3.795 561 HD22 LEU 75 HD22 LEU 75 -6.679 7.112 3.291 562 HD23 LEU 75 HD23 LEU 75 -7.374 6.835 4.888 563 H TYR 76 HN TYR 76 -7.320 4.046 -0.932 564 HA TYR 76 HA TYR 76 -8.371 5.594 -3.151 565 HD1 TYR 76 HD2 TYR 76 -6.649 5.878 -5.230 566 HD2 TYR 76 HD1 TYR 76 -8.231 1.927 -5.200 567 HE1 TYR 76 HE2 TYR 76 -6.976 5.999 -7.659 568 HE2 TYR 76 HE1 TYR 76 -8.563 2.039 -7.638 569 HH TYR 76 HH TYR 76 -8.842 3.761 -9.390 570 HB2 TYR 76 HB2 TYR 76 -6.239 4.255 -3.318 571 HB3 TYR 76 HB1 TYR 76 -7.227 2.799 -3.239 572 H ASN 77 HN ASN 77 -10.560 5.630 -2.609 573 HA ASN 77 HA ASN 77 -12.075 3.173 -2.703 574 HB2 ASN 77 HB2 ASN 77 -12.860 6.094 -2.691 575 HB3 ASN 77 HB1 ASN 77 -14.042 4.804 -2.891 576 HD21 ASN 77 HD21 ASN 77 -11.786 6.313 -0.699 577 HD22 ASN 77 HD22 ASN 77 -12.403 5.580 0.738 578 HA PRO 78 HA PRO 78 -12.489 2.087 -6.891 579 HB2 PRO 78 HB2 PRO 78 -15.284 3.159 -6.670 580 HB3 PRO 78 HB1 PRO 78 -14.714 1.672 -7.436 581 HG2 PRO 78 HG2 PRO 78 -15.778 1.709 -4.951 582 HG3 PRO 78 HG1 PRO 78 -14.532 0.552 -5.445 583 HD2 PRO 78 HD2 PRO 78 -14.341 2.749 -3.541 584 HD3 PRO 78 HD1 PRO 78 -13.184 1.443 -3.858 585 H LYS 79 HN LYS 79 -14.578 4.962 -6.558 586 HA LYS 79 HA LYS 79 -12.706 6.446 -8.221 587 HB2 LYS 79 HB2 LYS 79 -15.590 5.973 -8.894 588 HB3 LYS 79 HB1 LYS 79 -14.789 7.451 -9.408 589 HG2 LYS 79 HG2 LYS 79 -13.087 6.104 -10.564 590 HG3 LYS 79 HG1 LYS 79 -13.945 4.641 -10.086 591 HD2 LYS 79 HD2 LYS 79 -15.191 6.844 -11.713 592 HD3 LYS 79 HD1 LYS 79 -14.392 5.441 -12.422 593 HE2 LYS 79 HE2 LYS 79 -15.969 4.003 -11.099 594 HE3 LYS 79 HE1 LYS 79 -16.844 5.476 -10.676 595 HZ1 LYS 79 HZ1 LYS 79 -17.818 4.338 -12.593 596 HZ2 LYS 79 HZ2 LYS 79 -16.364 4.517 -13.449 597 HZ3 LYS 79 HZ3 LYS 79 -17.262 5.884 -13.008 598 H LEU 80 HN LEU 80 -12.582 6.889 -5.724 599 HA LEU 80 HA LEU 80 -14.400 8.994 -4.907 600 HG LEU 80 HG LEU 80 -12.508 10.285 -2.834 601 HB2 LEU 80 HB2 LEU 80 -13.462 7.446 -3.228 602 HB3 LEU 80 HB1 LEU 80 -11.849 8.018 -3.611 603 HD11 LEU 80 HD11 LEU 80 -14.552 10.550 -1.534 604 HD12 LEU 80 HD12 LEU 80 -15.023 8.896 -1.924 605 HD13 LEU 80 HD13 LEU 80 -14.912 10.107 -3.202 606 HD21 LEU 80 HD21 LEU 80 -12.853 8.061 -0.827 607 HD22 LEU 80 HD22 LEU 80 -12.487 9.744 -0.444 608 HD23 LEU 80 HD23 LEU 80 -11.325 8.771 -1.345 609 H GLU 81 HN GLU 81 -14.176 10.657 -6.289 610 HA GLU 81 HA GLU 81 -11.623 11.603 -7.166 611 HB2 GLU 81 HB2 GLU 81 -14.310 11.910 -7.966 612 HB3 GLU 81 HB1 GLU 81 -13.740 13.520 -7.546 613 HG2 GLU 81 HG2 GLU 81 -12.308 11.665 -9.432 614 HG3 GLU 81 HG1 GLU 81 -13.450 12.911 -9.937 615 H HIS 82 HN HIS 82 -11.171 14.018 -6.955 616 HA HIS 82 HA HIS 82 -11.075 14.584 -4.098 617 HD1 HIS 82 HD1 HIS 82 -8.862 13.280 -4.035 618 HD2 HIS 82 HD2 HIS 82 -7.885 14.954 -7.714 619 HE1 HIS 82 HE1 HIS 82 -7.142 11.746 -5.041 620 HE2 HIS 82 HE2 HIS 82 -6.789 12.640 -7.370 621 HB2 HIS 82 HB2 HIS 82 -9.802 16.203 -6.307 622 HB3 HIS 82 HB1 HIS 82 -9.342 16.142 -4.610 623 H HIS 83 HN HIS 83 -12.012 16.352 -3.119 624 HA HIS 83 HA HIS 83 -14.373 17.367 -4.168 625 HD1 HIS 83 HD1 HIS 83 -13.253 20.257 -0.465 626 HD2 HIS 83 HD2 HIS 83 -10.626 17.774 -2.524 627 HE1 HIS 83 HE1 HIS 83 -10.956 20.871 0.348 628 HE2 HIS 83 HE2 HIS 83 -9.369 19.450 -1.005 629 HB2 HIS 83 HB2 HIS 83 -14.373 18.966 -2.324 630 HB3 HIS 83 HB1 HIS 83 -13.894 17.371 -1.769 631 H HIS 84 HN HIS 84 -14.912 18.961 -5.489 632 HA HIS 84 HA HIS 84 -12.731 20.693 -6.454 633 HD1 HIS 84 HD1 HIS 84 -11.532 20.207 -8.832 634 HD2 HIS 84 HD2 HIS 84 -14.362 17.164 -8.641 635 HE1 HIS 84 HE1 HIS 84 -10.425 18.184 -9.843 636 HE2 HIS 84 HE2 HIS 84 -12.091 16.309 -9.559 637 HB2 HIS 84 HB2 HIS 84 -15.170 19.638 -7.881 638 HB3 HIS 84 HB1 HIS 84 -14.171 20.933 -8.528 639 H HIS 85 HN HIS 85 -16.287 20.868 -6.619 640 HA HIS 85 HA HIS 85 -16.059 23.733 -6.109 641 HD1 HIS 85 HD1 HIS 85 -20.587 23.180 -6.794 642 HD2 HIS 85 HD2 HIS 85 -17.938 20.004 -7.253 643 HE1 HIS 85 HE1 HIS 85 -22.000 21.101 -6.748 644 HE2 HIS 85 HE2 HIS 85 -20.409 19.233 -7.319 645 HB2 HIS 85 HB2 HIS 85 -18.276 23.959 -7.007 646 HB3 HIS 85 HB1 HIS 85 -17.354 22.927 -8.089 647 H HIS 86 HN HIS 86 -17.571 24.797 -4.669 648 HA HIS 86 HA HIS 86 -18.137 23.103 -2.313 649 HD1 HIS 86 HD1 HIS 86 -15.410 25.630 0.088 650 HD2 HIS 86 HD2 HIS 86 -15.399 23.006 -3.134 651 HE1 HIS 86 HE1 HIS 86 -13.173 24.477 0.162 652 HE2 HIS 86 HE2 HIS 86 -13.112 23.068 -1.929 653 HB2 HIS 86 HB2 HIS 86 -17.138 25.951 -2.449 654 HB3 HIS 86 HB1 HIS 86 -17.749 25.213 -0.977 655 H HIS 87 HN HIS 87 -20.107 23.279 -1.378 656 HA HIS 87 HA HIS 87 -21.665 25.620 -1.409 657 HD1 HIS 87 HD1 HIS 87 -25.367 24.088 -2.430 658 HD2 HIS 87 HD2 HIS 87 -22.993 27.330 -3.510 659 HE1 HIS 87 HE1 HIS 87 -26.936 26.048 -2.636 660 HE2 HIS 87 HE2 HIS 87 -25.454 28.030 -3.128 661 HB2 HIS 87 HB2 HIS 87 -22.005 24.624 -3.795 662 HB3 HIS 87 HB1 HIS 87 -23.000 23.425 -2.975 Start of MODEL 10 1 HA MET 1 HA MET 1 -18.909 -8.406 -8.033 2 H1 MET 1 HT1 MET 1 -20.949 -8.563 -6.743 3 H2 MET 1 HT2 MET 1 -20.426 -7.297 -5.743 4 H3 MET 1 HT3 MET 1 -19.569 -8.759 -5.776 5 HB2 MET 1 HB2 MET 1 -21.003 -7.150 -8.637 6 HB3 MET 1 HB1 MET 1 -20.331 -5.744 -7.824 7 HG2 MET 1 HG2 MET 1 -18.437 -5.767 -9.389 8 HG3 MET 1 HG1 MET 1 -19.162 -7.141 -10.222 9 HE1 MET 1 HE1 MET 1 -19.081 -5.881 -12.545 10 HE2 MET 1 HE2 MET 1 -18.303 -4.512 -11.749 11 HE3 MET 1 HE3 MET 1 -19.700 -4.246 -12.792 12 H ALA 2 HN ALA 2 -18.771 -6.960 -5.029 13 HA ALA 2 HA ALA 2 -16.320 -5.481 -5.718 14 HB1 ALA 2 HB1 ALA 2 -18.077 -4.082 -4.748 15 HB2 ALA 2 HB2 ALA 2 -16.674 -4.184 -3.684 16 HB3 ALA 2 HB3 ALA 2 -18.123 -5.124 -3.327 17 H ASP 3 HN ASP 3 -14.439 -6.088 -4.841 18 HA ASP 3 HA ASP 3 -14.481 -8.229 -2.819 19 HB2 ASP 3 HB2 ASP 3 -13.460 -8.939 -4.932 20 HB3 ASP 3 HB1 ASP 3 -12.359 -7.567 -4.878 21 H TYR 4 HN TYR 4 -13.745 -7.719 -0.867 22 HA TYR 4 HA TYR 4 -12.245 -5.213 -0.589 23 HD1 TYR 4 HD1 TYR 4 -13.374 -3.214 0.528 24 HD2 TYR 4 HD2 TYR 4 -16.076 -6.491 0.789 25 HE1 TYR 4 HE1 TYR 4 -15.232 -1.721 -0.070 26 HE2 TYR 4 HE2 TYR 4 -17.942 -5.004 0.190 27 HH TYR 4 HH TYR 4 -18.408 -2.456 0.390 28 HB2 TYR 4 HB2 TYR 4 -13.847 -6.798 1.423 29 HB3 TYR 4 HB1 TYR 4 -12.869 -5.392 1.839 30 H ASN 5 HN ASN 5 -10.185 -5.624 -0.824 31 HA ASN 5 HA ASN 5 -8.960 -7.708 0.852 32 HB2 ASN 5 HB2 ASN 5 -7.081 -7.672 -0.835 33 HB3 ASN 5 HB1 ASN 5 -8.605 -8.305 -1.446 34 HD21 ASN 5 HD21 ASN 5 -9.749 -7.148 -2.982 35 HD22 ASN 5 HD22 ASN 5 -9.040 -5.826 -3.855 36 H ILE 6 HN ILE 6 -6.288 -6.509 0.090 37 HA ILE 6 HA ILE 6 -6.100 -4.825 2.380 38 HB ILE 6 HB ILE 6 -3.728 -4.490 1.671 39 HG12 ILE 6 HG12 ILE 6 -4.476 -6.393 -0.564 40 HG13 ILE 6 HG11 ILE 6 -4.103 -4.684 -0.767 41 HG21 ILE 6 HG21 ILE 6 -3.048 -6.802 2.099 42 HG22 ILE 6 HG22 ILE 6 -4.696 -7.343 1.780 43 HG23 ILE 6 HG23 ILE 6 -4.362 -6.301 3.163 44 HD11 ILE 6 HD11 ILE 6 -1.833 -5.080 0.023 45 HD12 ILE 6 HD12 ILE 6 -2.214 -6.094 -1.369 46 HD13 ILE 6 HD13 ILE 6 -2.206 -6.786 0.254 47 HA PRO 7 HA PRO 7 -7.035 -0.910 0.731 48 HB2 PRO 7 HB2 PRO 7 -4.948 0.261 2.447 49 HB3 PRO 7 HB1 PRO 7 -6.698 0.494 2.486 50 HG2 PRO 7 HG2 PRO 7 -5.425 -0.914 4.380 51 HG3 PRO 7 HG1 PRO 7 -7.049 -1.357 3.822 52 HD2 PRO 7 HD2 PRO 7 -4.402 -2.564 3.106 53 HD3 PRO 7 HD1 PRO 7 -5.950 -3.366 3.449 54 H HIS 8 HN HIS 8 -6.483 -0.045 -1.131 55 HA HIS 8 HA HIS 8 -3.676 0.225 -1.895 56 HD1 HIS 8 HD1 HIS 8 -6.831 -1.767 -2.727 57 HD2 HIS 8 HD2 HIS 8 -3.600 -1.195 -5.287 58 HE1 HIS 8 HE1 HIS 8 -6.433 -3.993 -3.823 59 HE2 HIS 8 HE2 HIS 8 -4.645 -3.552 -5.542 60 HB2 HIS 8 HB2 HIS 8 -6.235 0.806 -3.417 61 HB3 HIS 8 HB1 HIS 8 -4.617 1.023 -4.074 62 H PHE 9 HN PHE 9 -2.978 2.433 -2.745 63 HA PHE 9 HA PHE 9 -4.223 4.497 -1.052 64 HD1 PHE 9 HD2 PHE 9 -3.419 4.703 1.450 65 HD2 PHE 9 HD1 PHE 9 -0.737 2.042 -0.507 66 HE1 PHE 9 HE2 PHE 9 -3.404 3.258 3.442 67 HE2 PHE 9 HE1 PHE 9 -0.720 0.590 1.479 68 HZ PHE 9 HZ PHE 9 -2.054 1.200 3.456 69 HB2 PHE 9 HB2 PHE 9 -1.263 4.070 -1.510 70 HB3 PHE 9 HB1 PHE 9 -1.976 5.372 -0.562 71 H GLN 10 HN GLN 10 -4.230 6.583 -1.755 72 HA GLN 10 HA GLN 10 -3.463 7.035 -4.568 73 HB2 GLN 10 HB2 GLN 10 -5.442 8.436 -4.825 74 HB3 GLN 10 HB1 GLN 10 -5.911 6.830 -4.295 75 HG2 GLN 10 HG2 GLN 10 -7.169 7.885 -2.785 76 HG3 GLN 10 HG1 GLN 10 -5.665 8.159 -1.910 77 HE21 GLN 10 HE21 GLN 10 -4.710 10.206 -1.981 78 HE22 GLN 10 HE22 GLN 10 -5.564 11.613 -2.545 79 H ASN 11 HN ASN 11 -2.612 9.045 -5.098 80 HA ASN 11 HA ASN 11 -2.339 10.978 -2.908 81 HB2 ASN 11 HB2 ASN 11 -0.044 11.449 -3.453 82 HB3 ASN 11 HB1 ASN 11 -0.199 9.717 -3.197 83 HD21 ASN 11 HD21 ASN 11 -0.164 8.329 -5.045 84 HD22 ASN 11 HD22 ASN 11 0.610 8.837 -6.505 85 H ASP 12 HN ASP 12 -3.138 12.887 -3.444 86 HA ASP 12 HA ASP 12 -3.837 13.467 -6.193 87 HB2 ASP 12 HB2 ASP 12 -4.163 15.196 -3.725 88 HB3 ASP 12 HB1 ASP 12 -4.917 15.469 -5.291 89 H LEU 13 HN LEU 13 -2.239 15.406 -3.702 90 HA LEU 13 HA LEU 13 -0.780 16.883 -5.725 91 HG LEU 13 HG LEU 13 -0.016 16.540 -2.063 92 HB2 LEU 13 HB2 LEU 13 -0.074 18.331 -3.896 93 HB3 LEU 13 HB1 LEU 13 -1.814 18.124 -3.898 94 HD11 LEU 13 HD11 LEU 13 -0.548 18.178 -0.326 95 HD12 LEU 13 HD12 LEU 13 -1.370 19.180 -1.523 96 HD13 LEU 13 HD13 LEU 13 0.368 18.908 -1.643 97 HD21 LEU 13 HD21 LEU 13 -2.287 15.676 -2.377 98 HD22 LEU 13 HD22 LEU 13 -2.950 17.247 -1.926 99 HD23 LEU 13 HD23 LEU 13 -2.055 16.294 -0.742 100 H GLY 14 HN GLY 14 -0.312 14.083 -4.046 101 HA2 GLY 14 HA2 GLY 14 1.587 12.718 -4.338 102 HA3 GLY 14 HA1 GLY 14 2.542 14.160 -4.644 103 H TYR 15 HN TYR 15 2.962 11.871 -2.823 104 HA TYR 15 HA TYR 15 3.595 13.464 -0.462 105 HD1 TYR 15 HD1 TYR 15 2.109 13.650 1.962 106 HD2 TYR 15 HD2 TYR 15 -0.019 11.576 -1.084 107 HE1 TYR 15 HE1 TYR 15 0.086 14.935 2.507 108 HE2 TYR 15 HE2 TYR 15 -2.047 12.860 -0.549 109 HH TYR 15 HH TYR 15 -2.004 15.619 1.472 110 HB2 TYR 15 HB2 TYR 15 2.132 10.815 -0.405 111 HB3 TYR 15 HB1 TYR 15 2.940 11.502 0.999 112 H LYS 16 HN LYS 16 5.673 13.250 -0.023 113 HA LYS 16 HA LYS 16 7.224 11.329 -1.505 114 HB2 LYS 16 HB2 LYS 16 7.991 13.641 -1.278 115 HB3 LYS 16 HB1 LYS 16 8.047 13.467 0.469 116 HG2 LYS 16 HG2 LYS 16 9.823 11.803 0.249 117 HG3 LYS 16 HG1 LYS 16 9.767 11.982 -1.507 118 HD2 LYS 16 HD2 LYS 16 10.401 14.321 -1.309 119 HD3 LYS 16 HD1 LYS 16 10.395 14.190 0.450 120 HE2 LYS 16 HE2 LYS 16 12.208 12.558 0.338 121 HE3 LYS 16 HE1 LYS 16 12.203 12.666 -1.422 122 HZ1 LYS 16 HZ1 LYS 16 13.960 14.016 -0.425 123 HZ2 LYS 16 HZ2 LYS 16 12.804 14.919 0.429 124 HZ3 LYS 16 HZ3 LYS 16 12.844 14.980 -1.267 125 H ILE 17 HN ILE 17 6.057 11.646 1.735 126 HA ILE 17 HA ILE 17 7.342 9.089 2.401 127 HB ILE 17 HB ILE 17 7.114 11.451 4.286 128 HG12 ILE 17 HG12 ILE 17 9.575 10.105 3.145 129 HG13 ILE 17 HG11 ILE 17 8.941 11.661 2.621 130 HG21 ILE 17 HG21 ILE 17 6.744 9.356 5.453 131 HG22 ILE 17 HG22 ILE 17 8.321 10.018 5.888 132 HG23 ILE 17 HG23 ILE 17 8.211 8.677 4.748 133 HD11 ILE 17 HD11 ILE 17 9.370 12.590 4.826 134 HD12 ILE 17 HD12 ILE 17 10.840 11.913 4.123 135 HD13 ILE 17 HD13 ILE 17 9.971 11.025 5.375 136 H ILE 18 HN ILE 18 5.650 7.704 2.525 137 HA ILE 18 HA ILE 18 3.276 8.699 4.019 138 HB ILE 18 HB ILE 18 3.378 6.676 1.781 139 HG12 ILE 18 HG12 ILE 18 2.058 9.375 2.124 140 HG13 ILE 18 HG11 ILE 18 3.347 8.958 0.998 141 HG21 ILE 18 HG21 ILE 18 0.965 6.380 2.091 142 HG22 ILE 18 HG22 ILE 18 1.025 7.404 3.527 143 HG23 ILE 18 HG23 ILE 18 1.865 5.855 3.514 144 HD11 ILE 18 HD11 ILE 18 0.514 7.932 0.908 145 HD12 ILE 18 HD12 ILE 18 1.800 7.505 -0.219 146 HD13 ILE 18 HD13 ILE 18 1.213 9.166 -0.140 147 H GLU 19 HN GLU 19 2.708 7.718 5.825 148 HA GLU 19 HA GLU 19 4.143 5.327 6.665 149 HB2 GLU 19 HB2 GLU 19 2.201 7.084 8.187 150 HB3 GLU 19 HB1 GLU 19 3.141 5.764 8.871 151 HG2 GLU 19 HG2 GLU 19 5.207 6.971 8.299 152 HG3 GLU 19 HG1 GLU 19 4.232 8.312 7.697 153 H ILE 20 HN ILE 20 3.035 3.445 7.430 154 HA ILE 20 HA ILE 20 0.207 3.204 6.741 155 HB ILE 20 HB ILE 20 0.652 1.031 5.553 156 HG12 ILE 20 HG12 ILE 20 3.470 2.116 5.447 157 HG13 ILE 20 HG11 ILE 20 2.946 0.686 6.331 158 HG21 ILE 20 HG21 ILE 20 1.176 2.072 3.400 159 HG22 ILE 20 HG22 ILE 20 1.696 3.533 4.241 160 HG23 ILE 20 HG23 ILE 20 0.011 3.021 4.324 161 HD11 ILE 20 HD11 ILE 20 2.886 1.045 3.347 162 HD12 ILE 20 HD12 ILE 20 2.338 -0.385 4.223 163 HD13 ILE 20 HD13 ILE 20 4.040 0.075 4.264 164 H GLY 21 HN GLY 21 -0.824 1.394 7.699 165 HA2 GLY 21 HA2 GLY 21 0.649 0.332 10.012 166 HA3 GLY 21 HA1 GLY 21 -1.101 0.454 9.885 167 H VAL 22 HN VAL 22 1.065 -0.808 7.416 168 HA VAL 22 HA VAL 22 0.119 -3.530 7.976 169 HB VAL 22 HB VAL 22 -0.121 -3.959 5.539 170 HG11 VAL 22 HG11 VAL 22 -2.095 -3.522 6.884 171 HG12 VAL 22 HG12 VAL 22 -2.287 -2.848 5.265 172 HG13 VAL 22 HG13 VAL 22 -1.909 -1.788 6.623 173 HG21 VAL 22 HG21 VAL 22 1.280 -2.164 4.687 174 HG22 VAL 22 HG22 VAL 22 0.135 -0.965 5.289 175 HG23 VAL 22 HG23 VAL 22 -0.340 -2.066 3.997 176 H LYS 23 HN LYS 23 1.556 -5.189 7.387 177 HA LYS 23 HA LYS 23 4.318 -4.274 7.041 178 HB2 LYS 23 HB2 LYS 23 3.245 -7.020 7.716 179 HB3 LYS 23 HB1 LYS 23 4.943 -6.580 7.648 180 HG2 LYS 23 HG2 LYS 23 4.539 -4.964 9.490 181 HG3 LYS 23 HG1 LYS 23 2.887 -5.577 9.602 182 HD2 LYS 23 HD2 LYS 23 3.787 -7.840 10.013 183 HD3 LYS 23 HD1 LYS 23 5.419 -7.175 9.980 184 HE2 LYS 23 HE2 LYS 23 4.692 -7.454 12.266 185 HE3 LYS 23 HE1 LYS 23 4.847 -5.738 11.894 186 HZ1 LYS 23 HZ1 LYS 23 2.810 -6.394 13.159 187 HZ2 LYS 23 HZ2 LYS 23 2.262 -7.188 11.761 188 HZ3 LYS 23 HZ3 LYS 23 2.517 -5.510 11.744 189 H GLU 24 HN GLU 24 1.769 -5.756 5.325 190 HA GLU 24 HA GLU 24 3.600 -6.488 3.138 191 HB2 GLU 24 HB2 GLU 24 1.068 -7.937 3.939 192 HB3 GLU 24 HB1 GLU 24 2.131 -8.370 2.606 193 HG2 GLU 24 HG2 GLU 24 3.869 -9.007 4.082 194 HG3 GLU 24 HG1 GLU 24 3.036 -8.305 5.469 195 H PHE 25 HN PHE 25 3.208 -5.337 1.361 196 HA PHE 25 HA PHE 25 0.523 -4.732 0.520 197 HD1 PHE 25 HD1 PHE 25 3.303 -3.298 3.060 198 HD2 PHE 25 HD2 PHE 25 2.408 -0.904 -0.343 199 HE1 PHE 25 HE1 PHE 25 5.459 -2.140 3.313 200 HE2 PHE 25 HE2 PHE 25 4.562 0.258 -0.096 201 HZ PHE 25 HZ PHE 25 6.090 -0.361 1.733 202 HB2 PHE 25 HB2 PHE 25 0.777 -2.296 0.521 203 HB3 PHE 25 HB1 PHE 25 0.921 -2.928 2.158 204 H MET 26 HN MET 26 0.651 -3.266 -1.502 205 HA MET 26 HA MET 26 3.143 -3.650 -2.971 206 HB2 MET 26 HB2 MET 26 1.585 -5.586 -3.445 207 HB3 MET 26 HB1 MET 26 0.461 -4.425 -4.138 208 HG2 MET 26 HG2 MET 26 1.981 -3.871 -5.880 209 HG3 MET 26 HG1 MET 26 3.282 -4.778 -5.109 210 HE1 MET 26 HE1 MET 26 2.753 -5.255 -8.141 211 HE2 MET 26 HE2 MET 26 2.774 -7.017 -8.204 212 HE3 MET 26 HE3 MET 26 3.920 -6.157 -7.174 213 H CYS 27 HN CYS 27 3.508 -2.082 -4.525 214 HA CYS 27 HA CYS 27 2.256 0.410 -4.156 215 HB2 CYS 27 HB2 CYS 27 4.552 0.163 -4.992 216 HB3 CYS 27 HB1 CYS 27 3.944 -0.573 -6.470 217 H VAL 28 HN VAL 28 0.929 1.608 -5.617 218 HA VAL 28 HA VAL 28 -1.440 0.377 -6.164 219 HB VAL 28 HB VAL 28 -0.413 2.825 -7.603 220 HG11 VAL 28 HG11 VAL 28 -3.227 1.924 -6.985 221 HG12 VAL 28 HG12 VAL 28 -2.464 1.913 -8.576 222 HG13 VAL 28 HG13 VAL 28 -2.775 3.444 -7.756 223 HG21 VAL 28 HG21 VAL 28 -1.402 4.101 -5.785 224 HG22 VAL 28 HG22 VAL 28 -0.168 3.003 -5.167 225 HG23 VAL 28 HG23 VAL 28 -1.879 2.610 -4.974 226 H GLY 29 HN GLY 29 -2.213 -0.908 -7.621 227 HA2 GLY 29 HA2 GLY 29 -2.214 -0.906 -10.283 228 HA3 GLY 29 HA1 GLY 29 -0.652 -1.643 -9.943 229 H ALA 30 HN ALA 30 -2.150 -3.278 -11.262 230 HA ALA 30 HA ALA 30 -3.545 -5.000 -9.338 231 HB1 ALA 30 HB1 ALA 30 -3.441 -5.154 -12.355 232 HB2 ALA 30 HB2 ALA 30 -4.762 -4.477 -11.403 233 HB3 ALA 30 HB3 ALA 30 -4.392 -6.199 -11.299 234 H THR 31 HN THR 31 -3.088 -7.406 -9.618 235 HA THR 31 HA THR 31 -0.261 -7.822 -9.441 236 HB THR 31 HB THR 31 -2.362 -9.988 -9.586 237 HG1 THR 31 HG1 THR 31 -1.738 -8.152 -7.551 238 HG21 THR 31 HG21 THR 31 -0.766 -11.220 -8.185 239 HG22 THR 31 HG22 THR 31 0.336 -9.843 -8.223 240 HG23 THR 31 HG23 THR 31 -0.022 -10.728 -9.706 241 H GLN 32 HN GLN 32 0.306 -7.067 -11.553 242 HA GLN 32 HA GLN 32 0.234 -9.180 -13.572 243 HB2 GLN 32 HB2 GLN 32 -0.581 -6.303 -14.072 244 HB3 GLN 32 HB1 GLN 32 -0.251 -7.472 -15.344 245 HG2 GLN 32 HG2 GLN 32 -2.094 -8.854 -14.588 246 HG3 GLN 32 HG1 GLN 32 -2.402 -7.746 -13.254 247 HE21 GLN 32 HE21 GLN 32 -1.508 -6.665 -16.445 248 HE22 GLN 32 HE22 GLN 32 -3.042 -5.977 -16.855 249 HA PRO 33 HA PRO 33 4.493 -8.405 -14.394 250 HB2 PRO 33 HB2 PRO 33 3.701 -7.374 -17.090 251 HB3 PRO 33 HB1 PRO 33 4.966 -8.532 -16.656 252 HG2 PRO 33 HG2 PRO 33 2.663 -9.387 -17.657 253 HG3 PRO 33 HG1 PRO 33 3.452 -10.264 -16.333 254 HD2 PRO 33 HD2 PRO 33 1.053 -8.503 -16.275 255 HD3 PRO 33 HD1 PRO 33 1.436 -9.927 -15.286 256 H PHE 34 HN PHE 34 5.877 -6.829 -13.954 257 HA PHE 34 HA PHE 34 5.038 -4.264 -13.261 258 HD1 PHE 34 HD1 PHE 34 6.561 -3.426 -10.954 259 HD2 PHE 34 HD2 PHE 34 8.808 -3.088 -14.553 260 HE1 PHE 34 HE1 PHE 34 7.383 -1.224 -10.229 261 HE2 PHE 34 HE2 PHE 34 9.633 -0.885 -13.833 262 HZ PHE 34 HZ PHE 34 8.921 0.050 -11.670 263 HB2 PHE 34 HB2 PHE 34 7.056 -5.382 -12.364 264 HB3 PHE 34 HB1 PHE 34 7.848 -5.176 -13.922 265 H ASP 35 HN ASP 35 4.459 -2.640 -14.474 266 HA ASP 35 HA ASP 35 5.990 -1.609 -16.621 267 HB2 ASP 35 HB2 ASP 35 4.990 -3.471 -17.873 268 HB3 ASP 35 HB1 ASP 35 3.383 -2.972 -17.358 269 H HIS 36 HN HIS 36 2.475 -1.753 -16.247 270 HA HIS 36 HA HIS 36 2.434 1.066 -15.523 271 HD1 HIS 36 HD1 HIS 36 -1.268 0.235 -18.201 272 HD2 HIS 36 HD2 HIS 36 2.638 1.593 -17.725 273 HE1 HIS 36 HE1 HIS 36 -0.662 1.356 -20.374 274 HE2 HIS 36 HE2 HIS 36 1.752 2.047 -20.110 275 HB2 HIS 36 HB2 HIS 36 0.237 -0.891 -16.190 276 HB3 HIS 36 HB1 HIS 36 -0.097 0.705 -15.528 277 HA PRO 37 HA PRO 37 0.933 -1.038 -11.426 278 HB2 PRO 37 HB2 PRO 37 1.682 -3.856 -11.780 279 HB3 PRO 37 HB1 PRO 37 0.173 -3.171 -11.169 280 HG2 PRO 37 HG2 PRO 37 0.322 -4.391 -13.564 281 HG3 PRO 37 HG1 PRO 37 -0.762 -3.019 -13.268 282 HD2 PRO 37 HD2 PRO 37 1.905 -3.067 -14.631 283 HD3 PRO 37 HD1 PRO 37 0.425 -2.195 -15.083 284 H HIS 38 HN HIS 38 2.365 -1.336 -9.656 285 HA HIS 38 HA HIS 38 5.173 -1.390 -10.501 286 HD2 HIS 38 HD2 HIS 38 4.377 0.662 -11.605 287 HE1 HIS 38 HE1 HIS 38 5.925 4.132 -9.732 288 HE2 HIS 38 HE2 HIS 38 5.371 3.024 -11.920 289 HB2 HIS 38 HB2 HIS 38 3.789 -0.087 -8.182 290 HB3 HIS 38 HB1 HIS 38 5.518 -0.404 -8.126 291 H ILE 39 HN ILE 39 6.056 -1.765 -7.717 292 HA ILE 39 HA ILE 39 6.040 -4.683 -7.931 293 HB ILE 39 HB ILE 39 8.161 -3.353 -8.236 294 HG12 ILE 39 HG12 ILE 39 8.266 -5.305 -5.934 295 HG13 ILE 39 HG11 ILE 39 8.083 -5.786 -7.619 296 HG21 ILE 39 HG21 ILE 39 7.850 -2.920 -5.272 297 HG22 ILE 39 HG22 ILE 39 7.824 -1.682 -6.527 298 HG23 ILE 39 HG23 ILE 39 9.308 -2.578 -6.202 299 HD11 ILE 39 HD11 ILE 39 10.220 -4.688 -8.133 300 HD12 ILE 39 HD12 ILE 39 10.382 -5.987 -6.948 301 HD13 ILE 39 HD13 ILE 39 10.408 -4.303 -6.424 302 H PHE 40 HN PHE 40 6.251 -5.937 -5.946 303 HA PHE 40 HA PHE 40 4.454 -5.015 -3.872 304 HD1 PHE 40 HD1 PHE 40 6.163 -7.870 -1.666 305 HD2 PHE 40 HD2 PHE 40 2.378 -7.275 -3.518 306 HE1 PHE 40 HE1 PHE 40 5.041 -8.604 0.397 307 HE2 PHE 40 HE2 PHE 40 1.249 -8.002 -1.457 308 HZ PHE 40 HZ PHE 40 2.582 -8.669 0.505 309 HB2 PHE 40 HB2 PHE 40 4.388 -7.341 -4.828 310 HB3 PHE 40 HB1 PHE 40 5.955 -7.640 -4.089 311 H ILE 41 HN ILE 41 5.021 -4.608 -1.731 312 HA ILE 41 HA ILE 41 7.904 -4.634 -1.130 313 HB ILE 41 HB ILE 41 5.983 -2.427 -0.367 314 HG12 ILE 41 HG12 ILE 41 8.344 -2.355 -2.258 315 HG13 ILE 41 HG11 ILE 41 6.659 -2.429 -2.764 316 HG21 ILE 41 HG21 ILE 41 7.968 -1.303 0.538 317 HG22 ILE 41 HG22 ILE 41 8.943 -2.720 0.152 318 HG23 ILE 41 HG23 ILE 41 7.661 -2.834 1.360 319 HD11 ILE 41 HD11 ILE 41 7.916 -0.204 -1.178 320 HD12 ILE 41 HD12 ILE 41 6.239 -0.279 -1.718 321 HD13 ILE 41 HD13 ILE 41 7.543 -0.169 -2.900 322 H ASP 42 HN ASP 42 8.366 -5.722 0.645 323 HA ASP 42 HA ASP 42 6.287 -6.120 2.674 324 HB2 ASP 42 HB2 ASP 42 7.662 -7.879 3.572 325 HB3 ASP 42 HB1 ASP 42 7.605 -8.107 1.827 326 H MET 43 HN MET 43 6.712 -5.552 4.866 327 HA MET 43 HA MET 43 8.991 -3.707 5.192 328 HB2 MET 43 HB2 MET 43 6.498 -2.969 5.583 329 HB3 MET 43 HB1 MET 43 6.694 -3.807 7.118 330 HG2 MET 43 HG2 MET 43 7.296 -1.698 7.726 331 HG3 MET 43 HG1 MET 43 8.866 -2.356 7.270 332 HE1 MET 43 HE1 MET 43 5.868 -1.153 5.010 333 HE2 MET 43 HE2 MET 43 6.361 0.507 4.677 334 HE3 MET 43 HE3 MET 43 5.936 0.025 6.319 335 H GLY 44 HN GLY 44 8.846 -6.688 5.388 336 HA2 GLY 44 HA2 GLY 44 9.230 -7.159 8.254 337 HA3 GLY 44 HA1 GLY 44 9.052 -8.394 7.017 338 H SER 45 HN SER 45 11.242 -5.665 7.641 339 HA SER 45 HA SER 45 13.509 -7.361 7.977 340 HG SER 45 HG SER 45 15.351 -7.617 6.215 341 HB2 SER 45 HB2 SER 45 13.266 -7.424 5.489 342 HB3 SER 45 HB1 SER 45 13.435 -5.669 5.459 343 H THR 46 HN THR 46 13.572 -4.197 6.424 344 HA THR 46 HA THR 46 14.759 -3.021 8.785 345 HB THR 46 HB THR 46 14.691 -0.928 7.231 346 HG1 THR 46 HG1 THR 46 14.474 -1.409 5.052 347 HG21 THR 46 HG21 THR 46 16.734 -2.145 7.805 348 HG22 THR 46 HG22 THR 46 16.749 -1.660 6.109 349 HG23 THR 46 HG23 THR 46 16.390 -3.331 6.546 350 H ASP 47 HN ASP 47 13.884 -0.680 9.286 351 HA ASP 47 HA ASP 47 11.173 -1.156 10.172 352 HB2 ASP 47 HB2 ASP 47 12.997 -0.135 11.608 353 HB3 ASP 47 HB1 ASP 47 12.828 1.327 10.642 354 H GLU 48 HN GLU 48 12.829 0.832 7.837 355 HA GLU 48 HA GLU 48 10.208 1.805 6.924 356 HB2 GLU 48 HB2 GLU 48 11.293 3.880 6.171 357 HB3 GLU 48 HB1 GLU 48 11.439 3.664 7.909 358 HG2 GLU 48 HG2 GLU 48 13.742 2.826 7.569 359 HG3 GLU 48 HG1 GLU 48 13.576 3.173 5.848 360 H LYS 49 HN LYS 49 9.748 1.556 4.821 361 HA LYS 49 HA LYS 49 11.893 0.627 3.020 362 HB2 LYS 49 HB2 LYS 49 9.061 -0.392 3.265 363 HB3 LYS 49 HB1 LYS 49 10.054 -0.696 1.851 364 HG2 LYS 49 HG2 LYS 49 10.803 -1.528 4.645 365 HG3 LYS 49 HG1 LYS 49 9.966 -2.564 3.489 366 HD2 LYS 49 HD2 LYS 49 11.897 -2.171 1.917 367 HD3 LYS 49 HD1 LYS 49 12.736 -1.409 3.269 368 HE2 LYS 49 HE2 LYS 49 13.459 -3.685 3.133 369 HE3 LYS 49 HE1 LYS 49 12.432 -3.521 4.557 370 HZ1 LYS 49 HZ1 LYS 49 11.722 -4.745 1.943 371 HZ2 LYS 49 HZ2 LYS 49 10.574 -4.371 3.129 372 HZ3 LYS 49 HZ3 LYS 49 11.788 -5.501 3.456 373 H ILE 50 HN ILE 50 11.934 1.565 1.012 374 HA ILE 50 HA ILE 50 9.910 3.632 0.507 375 HB ILE 50 HB ILE 50 12.384 4.237 0.516 376 HG12 ILE 50 HG12 ILE 50 10.831 4.771 -2.029 377 HG13 ILE 50 HG11 ILE 50 10.669 5.668 -0.522 378 HG21 ILE 50 HG21 ILE 50 13.223 2.260 -0.634 379 HG22 ILE 50 HG22 ILE 50 13.671 3.730 -1.502 380 HG23 ILE 50 HG23 ILE 50 12.347 2.726 -2.093 381 HD11 ILE 50 HD11 ILE 50 12.973 6.436 -0.725 382 HD12 ILE 50 HD12 ILE 50 12.021 6.877 -2.143 383 HD13 ILE 50 HD13 ILE 50 13.149 5.522 -2.224 384 H CYS 51 HN CYS 51 9.201 3.858 -1.801 385 HA CYS 51 HA CYS 51 8.737 1.223 -2.962 386 HB2 CYS 51 HB2 CYS 51 6.720 2.472 -2.832 387 HB3 CYS 51 HB1 CYS 51 7.496 3.931 -3.439 388 HA PRO 52 HA PRO 52 11.937 1.988 -6.066 389 HB2 PRO 52 HB2 PRO 52 10.529 -0.418 -7.120 390 HB3 PRO 52 HB1 PRO 52 12.261 -0.127 -6.934 391 HG2 PRO 52 HG2 PRO 52 10.962 -1.748 -5.263 392 HG3 PRO 52 HG1 PRO 52 12.243 -0.671 -4.680 393 HD2 PRO 52 HD2 PRO 52 9.279 -0.406 -4.425 394 HD3 PRO 52 HD1 PRO 52 10.555 0.036 -3.273 395 H TYR 53 HN TYR 53 11.342 3.638 -7.286 396 HA TYR 53 HA TYR 53 10.302 4.917 -8.827 397 HD1 TYR 53 HD2 TYR 53 11.246 4.527 -11.332 398 HD2 TYR 53 HD1 TYR 53 10.283 0.672 -9.782 399 HE1 TYR 53 HE2 TYR 53 13.270 3.606 -12.373 400 HE2 TYR 53 HE1 TYR 53 12.311 -0.249 -10.819 401 HH TYR 53 HH TYR 53 14.801 1.700 -12.037 402 HB2 TYR 53 HB2 TYR 53 8.728 2.437 -9.572 403 HB3 TYR 53 HB1 TYR 53 8.898 3.900 -10.539 404 H CYS 54 HN CYS 54 9.444 6.185 -7.290 405 HA CYS 54 HA CYS 54 6.923 7.043 -7.497 406 HB2 CYS 54 HB2 CYS 54 6.955 4.822 -5.504 407 HB3 CYS 54 HB1 CYS 54 5.992 6.249 -5.143 408 H SER 55 HN SER 55 9.191 6.228 -4.883 409 HA SER 55 HA SER 55 9.978 7.383 -3.102 410 HG SER 55 HG SER 55 11.774 8.653 -4.672 411 HB2 SER 55 HB2 SER 55 9.226 9.896 -4.621 412 HB3 SER 55 HB1 SER 55 10.416 9.749 -3.328 413 H THR 56 HN THR 56 8.589 6.870 -1.484 414 HA THR 56 HA THR 56 6.346 8.489 -0.805 415 HB THR 56 HB THR 56 5.741 5.611 -1.528 416 HG1 THR 56 HG1 THR 56 5.762 7.892 -3.199 417 HG21 THR 56 HG21 THR 56 3.431 6.414 -1.595 418 HG22 THR 56 HG22 THR 56 3.984 8.045 -1.216 419 HG23 THR 56 HG23 THR 56 4.177 6.751 -0.033 420 H LEU 57 HN LEU 57 8.800 7.718 0.276 421 HA LEU 57 HA LEU 57 9.470 5.533 1.531 422 HG LEU 57 HG LEU 57 10.125 6.468 4.480 423 HB2 LEU 57 HB2 LEU 57 10.622 7.683 1.761 424 HB3 LEU 57 HB1 LEU 57 9.408 8.215 2.906 425 HD11 LEU 57 HD11 LEU 57 10.927 4.817 2.868 426 HD12 LEU 57 HD12 LEU 57 12.173 5.208 4.055 427 HD13 LEU 57 HD13 LEU 57 12.258 5.886 2.429 428 HD21 LEU 57 HD21 LEU 57 11.106 8.694 4.604 429 HD22 LEU 57 HD22 LEU 57 12.359 8.215 3.459 430 HD23 LEU 57 HD23 LEU 57 12.284 7.462 5.051 431 H TYR 58 HN TYR 58 8.337 4.013 2.477 432 HA TYR 58 HA TYR 58 5.941 4.694 3.949 433 HD1 TYR 58 HD1 TYR 58 3.708 3.377 2.671 434 HD2 TYR 58 HD2 TYR 58 7.411 2.349 0.849 435 HE1 TYR 58 HE1 TYR 58 2.682 3.636 0.450 436 HE2 TYR 58 HE2 TYR 58 6.398 2.607 -1.373 437 HH TYR 58 HH TYR 58 3.343 4.058 -1.844 438 HB2 TYR 58 HB2 TYR 58 7.089 2.002 3.183 439 HB3 TYR 58 HB1 TYR 58 5.521 2.261 3.940 440 H ARG 59 HN ARG 59 5.732 4.666 6.047 441 HA ARG 59 HA ARG 59 7.910 3.514 7.661 442 HE ARG 59 HE ARG 59 10.056 8.287 9.891 443 HB2 ARG 59 HB2 ARG 59 6.575 6.119 7.760 444 HB3 ARG 59 HB1 ARG 59 6.668 5.313 9.321 445 HG2 ARG 59 HG2 ARG 59 8.974 5.342 9.350 446 HG3 ARG 59 HG1 ARG 59 9.096 5.522 7.599 447 HD2 ARG 59 HD2 ARG 59 8.418 7.794 7.701 448 HD3 ARG 59 HD1 ARG 59 7.940 7.645 9.390 449 HH11 ARG 59 HH11 ARG 59 10.258 6.433 6.915 450 HH12 ARG 59 HH12 ARG 59 11.989 6.570 6.802 451 HH21 ARG 59 HH21 ARG 59 12.292 8.509 9.716 452 HH22 ARG 59 HH22 ARG 59 13.144 7.761 8.394 453 H TYR 60 HN TYR 60 7.399 2.206 9.338 454 HA TYR 60 HA TYR 60 4.537 1.593 9.684 455 HD1 TYR 60 HD2 TYR 60 3.408 -0.805 8.798 456 HD2 TYR 60 HD1 TYR 60 6.205 -1.553 11.916 457 HE1 TYR 60 HE2 TYR 60 1.838 -2.397 9.819 458 HE2 TYR 60 HE1 TYR 60 4.640 -3.149 12.942 459 HH TYR 60 HH TYR 60 2.142 -3.543 12.942 460 HB2 TYR 60 HB2 TYR 60 5.843 -0.226 8.583 461 HB3 TYR 60 HB1 TYR 60 6.870 -0.307 10.009 462 H ASP 61 HN ASP 61 3.747 1.504 11.732 463 HA ASP 61 HA ASP 61 5.615 1.654 13.981 464 HB2 ASP 61 HB2 ASP 61 4.959 3.991 13.301 465 HB3 ASP 61 HB1 ASP 61 3.288 3.570 13.660 466 HA PRO 62 HA PRO 62 2.864 -1.387 15.662 467 HB2 PRO 62 HB2 PRO 62 3.181 -0.737 18.343 468 HB3 PRO 62 HB1 PRO 62 4.238 -1.806 17.418 469 HG2 PRO 62 HG2 PRO 62 4.581 1.082 18.095 470 HG3 PRO 62 HG1 PRO 62 5.794 -0.211 18.043 471 HD2 PRO 62 HD2 PRO 62 5.601 1.587 16.075 472 HD3 PRO 62 HD1 PRO 62 5.978 -0.114 15.731 473 H SER 63 HN SER 63 2.527 2.009 16.538 474 HA SER 63 HA SER 63 -0.056 1.620 17.764 475 HG SER 63 HG SER 63 2.460 3.812 18.714 476 HB2 SER 63 HB2 SER 63 1.383 4.157 16.954 477 HB3 SER 63 HB1 SER 63 -0.096 4.087 17.912 478 H LEU 64 HN LEU 64 1.057 1.827 14.592 479 HA LEU 64 HA LEU 64 -1.393 2.974 13.533 480 HG LEU 64 HG LEU 64 1.524 3.971 13.181 481 HB2 LEU 64 HB2 LEU 64 1.016 1.791 12.147 482 HB3 LEU 64 HB1 LEU 64 -0.354 2.508 11.321 483 HD11 LEU 64 HD11 LEU 64 1.246 4.052 10.180 484 HD12 LEU 64 HD12 LEU 64 2.596 3.363 11.082 485 HD13 LEU 64 HD13 LEU 64 2.286 5.098 11.145 486 HD21 LEU 64 HD21 LEU 64 -0.733 4.889 13.244 487 HD22 LEU 64 HD22 LEU 64 -0.760 4.972 11.483 488 HD23 LEU 64 HD23 LEU 64 0.362 5.981 12.396 489 H SER 65 HN SER 65 -3.093 1.679 13.770 490 HA SER 65 HA SER 65 -2.933 -1.173 13.556 491 HG SER 65 HG SER 65 -3.635 -0.161 15.593 492 HB2 SER 65 HB2 SER 65 -5.403 0.575 13.562 493 HB3 SER 65 HB1 SER 65 -5.313 -1.141 13.965 494 H TYR 66 HN TYR 66 -4.558 -2.304 12.058 495 HA TYR 66 HA TYR 66 -3.791 -1.959 9.408 496 HD1 TYR 66 HD2 TYR 66 -3.671 -4.586 8.232 497 HD2 TYR 66 HD1 TYR 66 -7.663 -3.131 8.430 498 HE1 TYR 66 HE2 TYR 66 -4.080 -5.415 5.954 499 HE2 TYR 66 HE1 TYR 66 -8.086 -3.961 6.153 500 HH TYR 66 HH TYR 66 -6.108 -6.147 4.600 501 HB2 TYR 66 HB2 TYR 66 -4.757 -4.027 10.397 502 HB3 TYR 66 HB1 TYR 66 -6.334 -3.250 10.410 503 H ASN 67 HN ASN 67 -6.478 -0.549 11.166 504 HA ASN 67 HA ASN 67 -7.639 0.562 8.738 505 HB2 ASN 67 HB2 ASN 67 -8.488 0.783 11.632 506 HB3 ASN 67 HB1 ASN 67 -9.362 1.491 10.281 507 HD21 ASN 67 HD21 ASN 67 -8.857 -0.764 8.498 508 HD22 ASN 67 HD22 ASN 67 -9.888 -2.042 9.053 509 H GLN 68 HN GLN 68 -5.011 1.388 10.316 510 HA GLN 68 HA GLN 68 -5.470 4.277 9.952 511 HB2 GLN 68 HB2 GLN 68 -3.923 2.908 12.157 512 HB3 GLN 68 HB1 GLN 68 -3.765 4.619 11.792 513 HG2 GLN 68 HG2 GLN 68 -6.100 4.979 12.328 514 HG3 GLN 68 HG1 GLN 68 -6.320 3.252 12.615 515 HE21 GLN 68 HE21 GLN 68 -5.540 2.341 14.491 516 HE22 GLN 68 HE22 GLN 68 -4.967 3.279 15.829 517 H THR 69 HN THR 69 -4.234 4.965 8.300 518 HA THR 69 HA THR 69 -1.758 3.514 7.794 519 HB THR 69 HB THR 69 -3.161 3.320 5.895 520 HG1 THR 69 HG1 THR 69 -0.858 4.829 5.738 521 HG21 THR 69 HG21 THR 69 -3.317 6.304 5.578 522 HG22 THR 69 HG22 THR 69 -4.533 5.399 6.483 523 HG23 THR 69 HG23 THR 69 -4.269 5.053 4.774 524 H ASN 70 HN ASN 70 -2.899 6.819 7.314 525 HA ASN 70 HA ASN 70 -0.456 7.865 8.410 526 HB2 ASN 70 HB2 ASN 70 0.299 8.997 6.418 527 HB3 ASN 70 HB1 ASN 70 0.136 7.286 6.046 528 HD21 ASN 70 HD21 ASN 70 0.168 9.572 4.262 529 HD22 ASN 70 HD22 ASN 70 -1.316 9.526 3.379 530 HA PRO 71 HA PRO 71 -3.227 11.241 9.066 531 HB2 PRO 71 HB2 PRO 71 -1.264 13.006 9.953 532 HB3 PRO 71 HB1 PRO 71 -2.062 11.781 10.938 533 HG2 PRO 71 HG2 PRO 71 0.673 11.857 10.143 534 HG3 PRO 71 HG1 PRO 71 -0.153 10.578 11.045 535 HD2 PRO 71 HD2 PRO 71 0.530 10.715 8.162 536 HD3 PRO 71 HD1 PRO 71 0.272 9.296 9.200 537 H THR 72 HN THR 72 -4.013 12.076 7.243 538 HA THR 72 HA THR 72 -3.462 14.553 6.275 539 HB THR 72 HB THR 72 -2.656 13.619 3.849 540 HG1 THR 72 HG1 THR 72 -1.002 12.255 5.717 541 HG21 THR 72 HG21 THR 72 -1.813 15.622 4.953 542 HG22 THR 72 HG22 THR 72 -0.491 14.656 4.299 543 HG23 THR 72 HG23 THR 72 -0.831 14.628 6.030 544 H GLY 73 HN GLY 73 -3.885 11.498 4.516 545 HA2 GLY 73 HA2 GLY 73 -6.371 10.905 4.261 546 HA3 GLY 73 HA1 GLY 73 -6.470 12.507 3.539 547 H CYS 74 HN CYS 74 -5.727 9.219 3.024 548 HA CYS 74 HA CYS 74 -5.118 9.827 0.226 549 HG CYS 74 HG CYS 74 -2.981 10.956 1.359 550 HB2 CYS 74 HB2 CYS 74 -3.642 7.783 1.900 551 HB3 CYS 74 HB1 CYS 74 -3.421 8.040 0.172 552 H LEU 75 HN LEU 75 -4.961 6.608 1.569 553 HA LEU 75 HA LEU 75 -6.179 4.716 1.218 554 HG LEU 75 HG LEU 75 -7.668 7.428 2.681 555 HB2 LEU 75 HB2 LEU 75 -8.628 6.371 0.700 556 HB3 LEU 75 HB1 LEU 75 -8.512 4.800 1.468 557 HD11 LEU 75 HD11 LEU 75 -9.549 7.084 4.174 558 HD12 LEU 75 HD12 LEU 75 -9.968 5.597 3.324 559 HD13 LEU 75 HD13 LEU 75 -10.084 7.149 2.494 560 HD21 LEU 75 HD21 LEU 75 -7.296 6.129 4.709 561 HD22 LEU 75 HD22 LEU 75 -6.245 5.600 3.392 562 HD23 LEU 75 HD23 LEU 75 -7.664 4.646 3.827 563 H TYR 76 HN TYR 76 -8.152 3.954 -0.505 564 HA TYR 76 HA TYR 76 -7.367 5.157 -3.065 565 HD1 TYR 76 HD1 TYR 76 -6.309 3.594 -5.127 566 HD2 TYR 76 HD2 TYR 76 -10.381 2.570 -4.441 567 HE1 TYR 76 HE1 TYR 76 -6.697 3.541 -7.555 568 HE2 TYR 76 HE2 TYR 76 -10.782 2.513 -6.866 569 HH TYR 76 HH TYR 76 -8.277 2.518 -9.153 570 HB2 TYR 76 HB2 TYR 76 -7.101 2.679 -2.936 571 HB3 TYR 76 HB1 TYR 76 -8.833 2.534 -2.636 572 H ASN 77 HN ASN 77 -8.578 6.982 -2.771 573 HA ASN 77 HA ASN 77 -11.421 6.687 -2.165 574 HB2 ASN 77 HB2 ASN 77 -9.758 8.254 -0.913 575 HB3 ASN 77 HB1 ASN 77 -9.942 9.301 -2.315 576 HD21 ASN 77 HD21 ASN 77 -11.544 7.845 0.405 577 HD22 ASN 77 HD22 ASN 77 -12.929 8.883 0.406 578 HA PRO 78 HA PRO 78 -12.591 7.381 -6.349 579 HB2 PRO 78 HB2 PRO 78 -15.008 8.709 -5.303 580 HB3 PRO 78 HB1 PRO 78 -14.861 7.257 -6.298 581 HG2 PRO 78 HG2 PRO 78 -15.559 7.119 -3.714 582 HG3 PRO 78 HG1 PRO 78 -14.544 5.878 -4.473 583 HD2 PRO 78 HD2 PRO 78 -13.747 8.144 -2.684 584 HD3 PRO 78 HD1 PRO 78 -13.160 6.468 -2.710 585 H LYS 79 HN LYS 79 -10.916 9.019 -6.645 586 HA LYS 79 HA LYS 79 -11.975 11.747 -6.797 587 HB2 LYS 79 HB2 LYS 79 -9.262 10.543 -6.860 588 HB3 LYS 79 HB1 LYS 79 -9.503 11.973 -7.853 589 HG2 LYS 79 HG2 LYS 79 -8.613 12.535 -5.656 590 HG3 LYS 79 HG1 LYS 79 -10.212 13.235 -5.903 591 HD2 LYS 79 HD2 LYS 79 -11.211 11.466 -4.567 592 HD3 LYS 79 HD1 LYS 79 -9.632 10.701 -4.373 593 HE2 LYS 79 HE2 LYS 79 -10.376 13.458 -3.400 594 HE3 LYS 79 HE1 LYS 79 -10.275 12.012 -2.395 595 HZ1 LYS 79 HZ1 LYS 79 -8.019 13.254 -3.895 596 HZ2 LYS 79 HZ2 LYS 79 -7.921 11.839 -2.973 597 HZ3 LYS 79 HZ3 LYS 79 -8.262 13.318 -2.217 598 H LEU 80 HN LEU 80 -12.021 9.005 -8.535 599 HA LEU 80 HA LEU 80 -12.409 10.456 -11.055 600 HG LEU 80 HG LEU 80 -9.519 9.654 -10.355 601 HB2 LEU 80 HB2 LEU 80 -11.093 7.754 -10.713 602 HB3 LEU 80 HB1 LEU 80 -11.541 8.457 -12.254 603 HD11 LEU 80 HD11 LEU 80 -7.846 8.878 -11.962 604 HD12 LEU 80 HD12 LEU 80 -9.109 8.061 -12.882 605 HD13 LEU 80 HD13 LEU 80 -8.728 7.531 -11.244 606 HD21 LEU 80 HD21 LEU 80 -8.935 11.063 -12.271 607 HD22 LEU 80 HD22 LEU 80 -10.613 11.301 -11.784 608 HD23 LEU 80 HD23 LEU 80 -10.239 10.330 -13.206 609 H GLU 81 HN GLU 81 -14.532 10.336 -11.445 610 HA GLU 81 HA GLU 81 -16.216 8.351 -10.323 611 HB2 GLU 81 HB2 GLU 81 -17.017 10.610 -10.950 612 HB3 GLU 81 HB1 GLU 81 -16.777 10.211 -12.645 613 HG2 GLU 81 HG2 GLU 81 -18.416 8.364 -12.384 614 HG3 GLU 81 HG1 GLU 81 -18.720 8.927 -10.741 615 H HIS 82 HN HIS 82 -15.713 6.281 -10.889 616 HA HIS 82 HA HIS 82 -15.147 5.485 -13.548 617 HD1 HIS 82 HD1 HIS 82 -17.213 1.797 -11.878 618 HD2 HIS 82 HD2 HIS 82 -16.161 4.864 -9.277 619 HE1 HIS 82 HE1 HIS 82 -18.552 1.401 -9.791 620 HE2 HIS 82 HE2 HIS 82 -17.719 3.124 -8.155 621 HB2 HIS 82 HB2 HIS 82 -15.380 3.190 -12.783 622 HB3 HIS 82 HB1 HIS 82 -14.465 4.114 -11.604 623 H HIS 83 HN HIS 83 -16.461 5.478 -15.177 624 HA HIS 83 HA HIS 83 -19.229 6.060 -14.849 625 HD1 HIS 83 HD1 HIS 83 -15.833 7.194 -16.638 626 HD2 HIS 83 HD2 HIS 83 -19.729 8.614 -16.920 627 HE1 HIS 83 HE1 HIS 83 -15.641 9.701 -16.648 628 HE2 HIS 83 HE2 HIS 83 -18.021 10.518 -16.540 629 HB2 HIS 83 HB2 HIS 83 -17.593 5.402 -17.302 630 HB3 HIS 83 HB1 HIS 83 -19.280 5.903 -17.350 631 H HIS 84 HN HIS 84 -20.863 4.823 -16.240 632 HA HIS 84 HA HIS 84 -20.955 2.160 -15.154 633 HD1 HIS 84 HD1 HIS 84 -23.868 5.514 -15.878 634 HD2 HIS 84 HD2 HIS 84 -22.997 2.436 -13.220 635 HE1 HIS 84 HE1 HIS 84 -24.671 6.308 -13.634 636 HE2 HIS 84 HE2 HIS 84 -24.199 4.405 -12.047 637 HB2 HIS 84 HB2 HIS 84 -22.876 3.567 -17.025 638 HB3 HIS 84 HB1 HIS 84 -23.179 2.033 -16.215 639 H HIS 85 HN HIS 85 -19.366 0.967 -16.124 640 HA HIS 85 HA HIS 85 -19.142 0.785 -18.991 641 HD1 HIS 85 HD1 HIS 85 -15.117 0.136 -18.202 642 HD2 HIS 85 HD2 HIS 85 -18.175 -1.662 -20.385 643 HE1 HIS 85 HE1 HIS 85 -14.079 -0.559 -20.384 644 HE2 HIS 85 HE2 HIS 85 -15.990 -1.450 -21.765 645 HB2 HIS 85 HB2 HIS 85 -17.329 0.374 -17.099 646 HB3 HIS 85 HB1 HIS 85 -17.963 -1.266 -17.147 647 H HIS 86 HN HIS 86 -21.536 0.379 -19.000 648 HA HIS 86 HA HIS 86 -23.391 -0.864 -19.185 649 HD1 HIS 86 HD1 HIS 86 -23.243 -5.220 -20.141 650 HD2 HIS 86 HD2 HIS 86 -24.867 -1.489 -21.015 651 HE1 HIS 86 HE1 HIS 86 -25.555 -5.671 -21.036 652 HE2 HIS 86 HE2 HIS 86 -26.480 -3.406 -21.656 653 HB2 HIS 86 HB2 HIS 86 -21.796 -2.149 -20.759 654 HB3 HIS 86 HB1 HIS 86 -21.732 -3.355 -19.474 655 H HIS 87 HN HIS 87 -23.427 -0.253 -16.873 656 HA HIS 87 HA HIS 87 -24.142 -2.574 -15.311 657 HD1 HIS 87 HD1 HIS 87 -22.898 -4.088 -13.100 658 HD2 HIS 87 HD2 HIS 87 -22.967 -0.152 -11.748 659 HE1 HIS 87 HE1 HIS 87 -23.420 -4.220 -10.637 660 HE2 HIS 87 HE2 HIS 87 -23.438 -1.832 -9.828 661 HB2 HIS 87 HB2 HIS 87 -21.771 -2.294 -14.710 662 HB3 HIS 87 HB1 HIS 87 -22.063 -0.605 -14.311 Start of MODEL 11 1 HA MET 1 HA MET 1 -13.144 -16.266 -9.113 2 H1 MET 1 HT1 MET 1 -11.695 -13.782 -8.400 3 H2 MET 1 HT2 MET 1 -13.287 -14.177 -7.959 4 H3 MET 1 HT3 MET 1 -12.905 -13.900 -9.586 5 HB2 MET 1 HB2 MET 1 -10.291 -15.412 -9.676 6 HB3 MET 1 HB1 MET 1 -10.986 -16.979 -10.066 7 HG2 MET 1 HG2 MET 1 -12.465 -15.987 -11.668 8 HG3 MET 1 HG1 MET 1 -11.960 -14.367 -11.194 9 HE1 MET 1 HE1 MET 1 -8.223 -14.322 -12.391 10 HE2 MET 1 HE2 MET 1 -8.818 -14.806 -10.802 11 HE3 MET 1 HE3 MET 1 -9.510 -13.402 -11.615 12 H ALA 2 HN ALA 2 -13.220 -15.448 -6.543 13 HA ALA 2 HA ALA 2 -12.605 -15.812 -4.393 14 HB1 ALA 2 HB1 ALA 2 -11.596 -17.960 -3.830 15 HB2 ALA 2 HB2 ALA 2 -11.187 -18.225 -5.525 16 HB3 ALA 2 HB3 ALA 2 -12.877 -18.168 -5.023 17 H ASP 3 HN ASP 3 -11.326 -13.805 -4.866 18 HA ASP 3 HA ASP 3 -8.434 -14.326 -4.634 19 HB2 ASP 3 HB2 ASP 3 -9.703 -12.105 -6.254 20 HB3 ASP 3 HB1 ASP 3 -7.978 -12.386 -6.051 21 H TYR 4 HN TYR 4 -7.356 -13.147 -3.162 22 HA TYR 4 HA TYR 4 -8.526 -10.614 -2.281 23 HD1 TYR 4 HD2 TYR 4 -5.651 -11.533 0.581 24 HD2 TYR 4 HD1 TYR 4 -8.342 -14.588 -0.658 25 HE1 TYR 4 HE2 TYR 4 -4.096 -13.236 1.432 26 HE2 TYR 4 HE1 TYR 4 -6.797 -16.301 0.197 27 HH TYR 4 HH TYR 4 -4.612 -16.653 0.858 28 HB2 TYR 4 HB2 TYR 4 -7.990 -11.028 0.053 29 HB3 TYR 4 HB1 TYR 4 -9.072 -12.283 -0.529 30 H ASN 5 HN ASN 5 -6.911 -9.078 -1.594 31 HA ASN 5 HA ASN 5 -4.178 -9.833 -2.310 32 HB2 ASN 5 HB2 ASN 5 -3.908 -7.858 -3.736 33 HB3 ASN 5 HB1 ASN 5 -5.167 -8.917 -4.359 34 HD21 ASN 5 HD21 ASN 5 -7.340 -8.273 -4.160 35 HD22 ASN 5 HD22 ASN 5 -7.768 -6.616 -3.929 36 H ILE 6 HN ILE 6 -2.827 -7.619 -2.060 37 HA ILE 6 HA ILE 6 -2.822 -7.168 0.748 38 HB ILE 6 HB ILE 6 -1.275 -5.736 -1.424 39 HG12 ILE 6 HG12 ILE 6 -0.866 -8.143 -1.491 40 HG13 ILE 6 HG11 ILE 6 0.553 -7.295 -0.888 41 HG21 ILE 6 HG21 ILE 6 -1.284 -4.497 0.667 42 HG22 ILE 6 HG22 ILE 6 0.314 -5.173 0.347 43 HG23 ILE 6 HG23 ILE 6 -0.743 -5.935 1.535 44 HD11 ILE 6 HD11 ILE 6 -0.014 -7.929 1.387 45 HD12 ILE 6 HD12 ILE 6 0.122 -9.350 0.350 46 HD13 ILE 6 HD13 ILE 6 -1.469 -8.740 0.808 47 HA PRO 7 HA PRO 7 -5.779 -3.877 1.154 48 HB2 PRO 7 HB2 PRO 7 -4.212 -2.499 3.079 49 HB3 PRO 7 HB1 PRO 7 -5.542 -3.619 3.384 50 HG2 PRO 7 HG2 PRO 7 -2.613 -4.103 3.417 51 HG3 PRO 7 HG1 PRO 7 -3.895 -4.883 4.359 52 HD2 PRO 7 HD2 PRO 7 -2.695 -6.147 2.326 53 HD3 PRO 7 HD1 PRO 7 -4.435 -6.350 2.636 54 H HIS 8 HN HIS 8 -6.017 -2.237 -0.194 55 HA HIS 8 HA HIS 8 -3.666 -0.605 -0.858 56 HD1 HIS 8 HD1 HIS 8 -4.832 -3.759 -3.113 57 HD2 HIS 8 HD2 HIS 8 -2.359 -0.462 -3.682 58 HE1 HIS 8 HE1 HIS 8 -2.828 -4.623 -4.358 59 HE2 HIS 8 HE2 HIS 8 -1.292 -2.638 -4.581 60 HB2 HIS 8 HB2 HIS 8 -5.957 -1.556 -2.542 61 HB3 HIS 8 HB1 HIS 8 -5.108 -0.075 -2.970 62 H PHE 9 HN PHE 9 -3.732 1.456 -0.376 63 HA PHE 9 HA PHE 9 -6.264 2.647 0.491 64 HD1 PHE 9 HD1 PHE 9 -2.476 1.564 1.734 65 HD2 PHE 9 HD2 PHE 9 -3.104 5.496 0.233 66 HE1 PHE 9 HE1 PHE 9 -0.072 1.762 1.262 67 HE2 PHE 9 HE2 PHE 9 -0.700 5.699 -0.246 68 HZ PHE 9 HZ PHE 9 0.819 3.831 0.269 69 HB2 PHE 9 HB2 PHE 9 -4.795 4.378 1.549 70 HB3 PHE 9 HB1 PHE 9 -4.536 2.755 2.176 71 H GLN 10 HN GLN 10 -5.910 5.282 0.124 72 HA GLN 10 HA GLN 10 -5.236 5.582 -2.724 73 HB2 GLN 10 HB2 GLN 10 -7.172 7.098 -2.989 74 HB3 GLN 10 HB1 GLN 10 -7.651 5.456 -2.588 75 HG2 GLN 10 HG2 GLN 10 -8.219 6.052 -0.379 76 HG3 GLN 10 HG1 GLN 10 -7.410 7.615 -0.507 77 HE21 GLN 10 HE21 GLN 10 -8.402 9.278 -1.666 78 HE22 GLN 10 HE22 GLN 10 -10.086 9.239 -2.053 79 H ASN 11 HN ASN 11 -3.584 6.966 -2.860 80 HA ASN 11 HA ASN 11 -3.720 9.374 -1.169 81 HB2 ASN 11 HB2 ASN 11 -1.838 7.987 -0.460 82 HB3 ASN 11 HB1 ASN 11 -1.238 7.914 -2.111 83 HD21 ASN 11 HD21 ASN 11 -0.213 9.699 -2.989 84 HD22 ASN 11 HD22 ASN 11 0.359 11.013 -2.014 85 H ASP 12 HN ASP 12 -4.776 10.617 -2.651 86 HA ASP 12 HA ASP 12 -3.637 10.958 -5.315 87 HB2 ASP 12 HB2 ASP 12 -5.557 12.518 -5.657 88 HB3 ASP 12 HB1 ASP 12 -6.049 10.889 -5.206 89 H LEU 13 HN LEU 13 -2.753 11.932 -2.441 90 HA LEU 13 HA LEU 13 -2.654 14.806 -2.852 91 HG LEU 13 HG LEU 13 -3.758 14.235 0.665 92 HB2 LEU 13 HB2 LEU 13 -1.818 13.112 -0.494 93 HB3 LEU 13 HB1 LEU 13 -1.834 14.862 -0.524 94 HD11 LEU 13 HD11 LEU 13 -4.619 14.792 -2.162 95 HD12 LEU 13 HD12 LEU 13 -4.201 15.989 -0.936 96 HD13 LEU 13 HD13 LEU 13 -5.627 14.972 -0.727 97 HD21 LEU 13 HD21 LEU 13 -3.816 11.879 0.088 98 HD22 LEU 13 HD22 LEU 13 -4.412 12.279 -1.524 99 HD23 LEU 13 HD23 LEU 13 -5.407 12.615 -0.106 100 H GLY 14 HN GLY 14 -0.914 12.826 -4.350 101 HA2 GLY 14 HA2 GLY 14 1.217 13.047 -5.261 102 HA3 GLY 14 HA1 GLY 14 1.557 14.307 -4.081 103 H TYR 15 HN TYR 15 3.069 11.841 -4.980 104 HA TYR 15 HA TYR 15 3.142 10.353 -2.441 105 HD1 TYR 15 HD1 TYR 15 1.618 8.040 -3.260 106 HD2 TYR 15 HD2 TYR 15 3.137 9.807 -6.819 107 HE1 TYR 15 HE1 TYR 15 -0.438 7.402 -4.452 108 HE2 TYR 15 HE2 TYR 15 1.087 9.178 -8.018 109 HH TYR 15 HH TYR 15 -1.714 8.098 -6.424 110 HB2 TYR 15 HB2 TYR 15 4.556 9.541 -4.970 111 HB3 TYR 15 HB1 TYR 15 4.091 8.538 -3.602 112 H LYS 16 HN LYS 16 4.856 10.507 -1.127 113 HA LYS 16 HA LYS 16 7.477 10.925 -2.147 114 HB2 LYS 16 HB2 LYS 16 8.004 12.948 -0.787 115 HB3 LYS 16 HB1 LYS 16 6.903 13.259 -2.114 116 HG2 LYS 16 HG2 LYS 16 5.917 12.801 0.685 117 HG3 LYS 16 HG1 LYS 16 6.424 14.391 0.115 118 HD2 LYS 16 HD2 LYS 16 4.759 14.244 -1.695 119 HD3 LYS 16 HD1 LYS 16 4.238 12.679 -1.074 120 HE2 LYS 16 HE2 LYS 16 3.621 13.757 1.052 121 HE3 LYS 16 HE1 LYS 16 4.089 15.318 0.379 122 HZ1 LYS 16 HZ1 LYS 16 1.926 13.559 -0.648 123 HZ2 LYS 16 HZ2 LYS 16 2.392 15.037 -1.335 124 HZ3 LYS 16 HZ3 LYS 16 1.713 15.000 0.219 125 H ILE 17 HN ILE 17 5.568 11.153 0.811 126 HA ILE 17 HA ILE 17 7.155 8.975 1.941 127 HB ILE 17 HB ILE 17 6.551 11.524 3.471 128 HG12 ILE 17 HG12 ILE 17 9.233 10.403 2.614 129 HG13 ILE 17 HG11 ILE 17 8.426 11.773 1.856 130 HG21 ILE 17 HG21 ILE 17 6.398 9.560 4.879 131 HG22 ILE 17 HG22 ILE 17 7.853 10.471 5.279 132 HG23 ILE 17 HG23 ILE 17 7.971 8.999 4.315 133 HD11 ILE 17 HD11 ILE 17 10.180 12.482 3.393 134 HD12 ILE 17 HD12 ILE 17 9.360 11.653 4.717 135 HD13 ILE 17 HD13 ILE 17 8.592 13.030 3.929 136 H ILE 18 HN ILE 18 5.624 7.459 2.230 137 HA ILE 18 HA ILE 18 3.053 8.434 3.369 138 HB ILE 18 HB ILE 18 3.369 6.189 1.369 139 HG12 ILE 18 HG12 ILE 18 2.201 8.976 1.126 140 HG13 ILE 18 HG11 ILE 18 3.641 8.370 0.307 141 HG21 ILE 18 HG21 ILE 18 1.581 5.737 2.970 142 HG22 ILE 18 HG22 ILE 18 0.914 6.119 1.384 143 HG23 ILE 18 HG23 ILE 18 0.888 7.330 2.667 144 HD11 ILE 18 HD11 ILE 18 0.814 7.411 -0.133 145 HD12 ILE 18 HD12 ILE 18 2.252 6.802 -0.952 146 HD13 ILE 18 HD13 ILE 18 1.740 8.471 -1.199 147 H GLU 19 HN GLU 19 2.381 7.543 5.174 148 HA GLU 19 HA GLU 19 3.958 5.394 6.345 149 HB2 GLU 19 HB2 GLU 19 1.793 7.133 7.548 150 HB3 GLU 19 HB1 GLU 19 2.813 6.006 8.432 151 HG2 GLU 19 HG2 GLU 19 4.765 7.315 7.977 152 HG3 GLU 19 HG1 GLU 19 3.858 8.374 6.898 153 H ILE 20 HN ILE 20 2.972 3.554 7.331 154 HA ILE 20 HA ILE 20 0.187 2.968 6.704 155 HB ILE 20 HB ILE 20 0.834 0.660 5.893 156 HG12 ILE 20 HG12 ILE 20 3.510 2.000 5.461 157 HG13 ILE 20 HG11 ILE 20 3.180 0.704 6.606 158 HG21 ILE 20 HG21 ILE 20 1.522 3.014 4.143 159 HG22 ILE 20 HG22 ILE 20 -0.075 2.298 4.373 160 HG23 ILE 20 HG23 ILE 20 1.198 1.379 3.570 161 HD11 ILE 20 HD11 ILE 20 2.932 0.495 3.616 162 HD12 ILE 20 HD12 ILE 20 2.668 -0.804 4.780 163 HD13 ILE 20 HD13 ILE 20 4.274 -0.107 4.584 164 H GLY 21 HN GLY 21 -0.532 0.944 7.824 165 HA2 GLY 21 HA2 GLY 21 0.943 0.665 10.361 166 HA3 GLY 21 HA1 GLY 21 -0.783 0.407 10.161 167 H VAL 22 HN VAL 22 1.209 -0.859 7.689 168 HA VAL 22 HA VAL 22 1.091 -3.545 8.883 169 HB VAL 22 HB VAL 22 0.550 -4.449 6.603 170 HG11 VAL 22 HG11 VAL 22 -1.505 -2.620 7.841 171 HG12 VAL 22 HG12 VAL 22 -1.170 -4.285 8.320 172 HG13 VAL 22 HG13 VAL 22 -1.849 -3.944 6.729 173 HG21 VAL 22 HG21 VAL 22 -0.474 -2.925 4.973 174 HG22 VAL 22 HG22 VAL 22 1.216 -2.521 5.274 175 HG23 VAL 22 HG23 VAL 22 -0.063 -1.554 6.007 176 H LYS 23 HN LYS 23 2.496 -5.128 7.623 177 HA LYS 23 HA LYS 23 4.992 -3.744 6.879 178 HB2 LYS 23 HB2 LYS 23 4.577 -6.572 7.865 179 HB3 LYS 23 HB1 LYS 23 6.128 -5.878 7.413 180 HG2 LYS 23 HG2 LYS 23 5.745 -4.155 9.213 181 HG3 LYS 23 HG1 LYS 23 4.376 -5.139 9.739 182 HD2 LYS 23 HD2 LYS 23 5.913 -7.065 9.992 183 HD3 LYS 23 HD1 LYS 23 7.262 -6.009 9.573 184 HE2 LYS 23 HE2 LYS 23 7.179 -6.200 11.955 185 HE3 LYS 23 HE1 LYS 23 6.652 -4.574 11.518 186 HZ1 LYS 23 HZ1 LYS 23 5.243 -5.577 13.227 187 HZ2 LYS 23 HZ2 LYS 23 4.847 -6.845 12.170 188 HZ3 LYS 23 HZ3 LYS 23 4.365 -5.262 11.813 189 H GLU 24 HN GLU 24 2.422 -4.963 5.430 190 HA GLU 24 HA GLU 24 3.967 -5.943 3.133 191 HB2 GLU 24 HB2 GLU 24 2.081 -7.474 2.624 192 HB3 GLU 24 HB1 GLU 24 2.866 -7.854 4.150 193 HG2 GLU 24 HG2 GLU 24 1.004 -6.406 5.198 194 HG3 GLU 24 HG1 GLU 24 0.176 -6.647 3.661 195 H PHE 25 HN PHE 25 3.568 -4.859 1.280 196 HA PHE 25 HA PHE 25 1.075 -3.469 0.879 197 HD1 PHE 25 HD2 PHE 25 4.209 -2.579 3.377 198 HD2 PHE 25 HD1 PHE 25 4.206 -0.938 -0.549 199 HE1 PHE 25 HE2 PHE 25 6.640 -2.249 3.518 200 HE2 PHE 25 HE1 PHE 25 6.639 -0.608 -0.413 201 HZ PHE 25 HZ PHE 25 7.859 -1.264 1.622 202 HB2 PHE 25 HB2 PHE 25 2.153 -1.228 0.663 203 HB3 PHE 25 HB1 PHE 25 2.141 -1.849 2.309 204 H MET 26 HN MET 26 1.033 -2.288 -1.174 205 HA MET 26 HA MET 26 3.197 -2.854 -3.031 206 HB2 MET 26 HB2 MET 26 1.420 -4.670 -3.252 207 HB3 MET 26 HB1 MET 26 0.329 -3.407 -3.811 208 HG2 MET 26 HG2 MET 26 1.751 -2.944 -5.693 209 HG3 MET 26 HG1 MET 26 2.964 -4.075 -5.100 210 HE1 MET 26 HE1 MET 26 2.204 -4.400 -8.039 211 HE2 MET 26 HE2 MET 26 1.890 -6.133 -8.129 212 HE3 MET 26 HE3 MET 26 3.221 -5.529 -7.140 213 H CYS 27 HN CYS 27 3.297 -1.347 -4.726 214 HA CYS 27 HA CYS 27 2.854 1.249 -3.961 215 HB2 CYS 27 HB2 CYS 27 3.143 0.173 -6.764 216 HB3 CYS 27 HB1 CYS 27 3.322 1.863 -6.310 217 H VAL 28 HN VAL 28 1.007 2.288 -3.616 218 HA VAL 28 HA VAL 28 -1.257 1.945 -5.393 219 HB VAL 28 HB VAL 28 -0.827 3.947 -3.156 220 HG11 VAL 28 HG11 VAL 28 -3.312 3.307 -4.747 221 HG12 VAL 28 HG12 VAL 28 -2.383 4.803 -4.828 222 HG13 VAL 28 HG13 VAL 28 -3.239 4.377 -3.345 223 HG21 VAL 28 HG21 VAL 28 -2.407 2.559 -1.902 224 HG22 VAL 28 HG22 VAL 28 -0.972 1.638 -2.361 225 HG23 VAL 28 HG23 VAL 28 -2.483 1.425 -3.249 226 H GLY 29 HN GLY 29 -0.209 2.453 -7.329 227 HA2 GLY 29 HA2 GLY 29 -0.425 5.000 -8.334 228 HA3 GLY 29 HA1 GLY 29 1.216 4.892 -7.711 229 H ALA 30 HN ALA 30 -0.428 4.728 -10.446 230 HA ALA 30 HA ALA 30 0.833 2.315 -11.523 231 HB1 ALA 30 HB1 ALA 30 -0.644 2.595 -13.427 232 HB2 ALA 30 HB2 ALA 30 -1.204 4.143 -12.793 233 HB3 ALA 30 HB3 ALA 30 -1.565 2.650 -11.925 234 H THR 31 HN THR 31 2.205 4.937 -10.909 235 HA THR 31 HA THR 31 2.974 6.094 -13.382 236 HB THR 31 HB THR 31 4.953 6.940 -11.955 237 HG1 THR 31 HG1 THR 31 4.249 6.794 -9.626 238 HG21 THR 31 HG21 THR 31 2.122 7.579 -11.115 239 HG22 THR 31 HG22 THR 31 2.970 8.283 -12.491 240 HG23 THR 31 HG23 THR 31 3.537 8.599 -10.851 241 H GLN 32 HN GLN 32 3.567 4.443 -14.765 242 HA GLN 32 HA GLN 32 4.910 2.974 -15.837 243 HB2 GLN 32 HB2 GLN 32 6.600 4.796 -15.361 244 HB3 GLN 32 HB1 GLN 32 7.116 3.852 -13.971 245 HG2 GLN 32 HG2 GLN 32 8.568 3.508 -15.898 246 HG3 GLN 32 HG1 GLN 32 7.755 2.018 -15.421 247 HE21 GLN 32 HE21 GLN 32 7.895 4.577 -17.799 248 HE22 GLN 32 HE22 GLN 32 7.025 3.729 -19.039 249 HA PRO 33 HA PRO 33 4.380 -0.156 -12.590 250 HB2 PRO 33 HB2 PRO 33 2.676 -1.644 -14.290 251 HB3 PRO 33 HB1 PRO 33 2.197 -0.594 -12.958 252 HG2 PRO 33 HG2 PRO 33 1.671 -0.146 -15.666 253 HG3 PRO 33 HG1 PRO 33 1.552 1.058 -14.372 254 HD2 PRO 33 HD2 PRO 33 3.746 0.599 -16.341 255 HD3 PRO 33 HD1 PRO 33 3.151 2.123 -15.642 256 H PHE 34 HN PHE 34 4.624 -2.557 -12.638 257 HA PHE 34 HA PHE 34 6.280 -3.505 -14.878 258 HD1 PHE 34 HD1 PHE 34 9.244 -3.391 -14.553 259 HD2 PHE 34 HD2 PHE 34 7.137 -1.793 -11.220 260 HE1 PHE 34 HE1 PHE 34 10.812 -1.496 -14.475 261 HE2 PHE 34 HE2 PHE 34 8.697 0.107 -11.138 262 HZ PHE 34 HZ PHE 34 10.539 0.257 -12.767 263 HB2 PHE 34 HB2 PHE 34 6.771 -4.053 -11.933 264 HB3 PHE 34 HB1 PHE 34 7.681 -4.751 -13.267 265 H ASP 35 HN ASP 35 4.507 -4.564 -15.753 266 HA ASP 35 HA ASP 35 2.963 -6.194 -16.086 267 HB2 ASP 35 HB2 ASP 35 4.461 -7.876 -15.301 268 HB3 ASP 35 HB1 ASP 35 4.252 -7.380 -13.625 269 H HIS 36 HN HIS 36 3.078 -5.862 -12.553 270 HA HIS 36 HA HIS 36 0.287 -4.916 -12.600 271 HD1 HIS 36 HD1 HIS 36 0.973 -8.482 -12.285 272 HD2 HIS 36 HD2 HIS 36 -1.950 -6.316 -10.256 273 HE1 HIS 36 HE1 HIS 36 -1.139 -9.846 -12.461 274 HE2 HIS 36 HE2 HIS 36 -2.856 -8.583 -11.106 275 HB2 HIS 36 HB2 HIS 36 1.866 -6.563 -10.667 276 HB3 HIS 36 HB1 HIS 36 0.651 -5.475 -10.005 277 HA PRO 37 HA PRO 37 1.306 -0.899 -10.863 278 HB2 PRO 37 HB2 PRO 37 0.431 -1.763 -8.141 279 HB3 PRO 37 HB1 PRO 37 0.009 -0.306 -9.049 280 HG2 PRO 37 HG2 PRO 37 -1.719 -2.310 -8.864 281 HG3 PRO 37 HG1 PRO 37 -1.524 -1.422 -10.387 282 HD2 PRO 37 HD2 PRO 37 -0.545 -4.140 -9.638 283 HD3 PRO 37 HD1 PRO 37 -1.117 -3.536 -11.206 284 H HIS 38 HN HIS 38 3.521 -1.170 -11.085 285 HA HIS 38 HA HIS 38 5.701 -1.412 -10.552 286 HD2 HIS 38 HD2 HIS 38 4.460 0.928 -11.002 287 HE1 HIS 38 HE1 HIS 38 6.316 3.965 -8.706 288 HE2 HIS 38 HE2 HIS 38 5.262 3.382 -10.910 289 HB2 HIS 38 HB2 HIS 38 4.655 -0.631 -7.828 290 HB3 HIS 38 HB1 HIS 38 6.365 -0.826 -8.185 291 H ILE 39 HN ILE 39 5.486 -2.332 -7.321 292 HA ILE 39 HA ILE 39 5.453 -5.177 -7.861 293 HB ILE 39 HB ILE 39 7.772 -4.551 -8.319 294 HG12 ILE 39 HG12 ILE 39 7.523 -5.982 -5.666 295 HG13 ILE 39 HG11 ILE 39 7.297 -6.726 -7.247 296 HG21 ILE 39 HG21 ILE 39 7.822 -3.476 -5.502 297 HG22 ILE 39 HG22 ILE 39 7.880 -2.517 -6.982 298 HG23 ILE 39 HG23 ILE 39 9.208 -3.607 -6.587 299 HD11 ILE 39 HD11 ILE 39 9.595 -6.305 -7.813 300 HD12 ILE 39 HD12 ILE 39 9.505 -7.171 -6.280 301 HD13 ILE 39 HD13 ILE 39 9.840 -5.440 -6.295 302 H PHE 40 HN PHE 40 5.083 -6.407 -5.973 303 HA PHE 40 HA PHE 40 4.064 -4.928 -3.711 304 HD1 PHE 40 HD1 PHE 40 3.863 -7.942 -6.399 305 HD2 PHE 40 HD2 PHE 40 4.904 -8.999 -2.410 306 HE1 PHE 40 HE1 PHE 40 4.833 -10.048 -7.215 307 HE2 PHE 40 HE2 PHE 40 5.880 -11.105 -3.222 308 HZ PHE 40 HZ PHE 40 5.847 -11.632 -5.627 309 HB2 PHE 40 HB2 PHE 40 3.481 -7.175 -2.804 310 HB3 PHE 40 HB1 PHE 40 2.799 -6.871 -4.394 311 H ILE 41 HN ILE 41 5.061 -4.634 -1.791 312 HA ILE 41 HA ILE 41 7.816 -5.672 -1.639 313 HB ILE 41 HB ILE 41 6.863 -2.958 -0.701 314 HG12 ILE 41 HG12 ILE 41 8.597 -3.691 -3.076 315 HG13 ILE 41 HG11 ILE 41 6.920 -3.168 -3.173 316 HG21 ILE 41 HG21 ILE 41 9.242 -2.502 -0.353 317 HG22 ILE 41 HG22 ILE 41 9.627 -4.157 -0.823 318 HG23 ILE 41 HG23 ILE 41 8.689 -3.851 0.639 319 HD11 ILE 41 HD11 ILE 41 9.232 -1.530 -2.153 320 HD12 ILE 41 HD12 ILE 41 7.549 -1.002 -2.224 321 HD13 ILE 41 HD13 ILE 41 8.427 -1.353 -3.712 322 H ASP 42 HN ASP 42 8.293 -6.790 0.096 323 HA ASP 42 HA ASP 42 6.545 -6.717 2.438 324 HB2 ASP 42 HB2 ASP 42 8.883 -8.519 1.745 325 HB3 ASP 42 HB1 ASP 42 7.907 -8.659 3.200 326 H MET 43 HN MET 43 7.281 -6.082 4.473 327 HA MET 43 HA MET 43 9.558 -4.315 4.423 328 HB2 MET 43 HB2 MET 43 7.477 -4.957 6.477 329 HB3 MET 43 HB1 MET 43 8.941 -4.103 6.943 330 HG2 MET 43 HG2 MET 43 8.418 -2.417 5.179 331 HG3 MET 43 HG1 MET 43 6.867 -3.227 4.957 332 HE1 MET 43 HE1 MET 43 5.774 -0.824 5.386 333 HE2 MET 43 HE2 MET 43 7.337 -0.092 5.747 334 HE3 MET 43 HE3 MET 43 5.992 0.101 6.871 335 H GLY 44 HN GLY 44 11.274 -5.771 4.058 336 HA2 GLY 44 HA2 GLY 44 12.016 -7.538 6.246 337 HA3 GLY 44 HA1 GLY 44 12.962 -7.210 4.795 338 H SER 45 HN SER 45 11.558 -5.024 7.176 339 HA SER 45 HA SER 45 14.207 -4.144 7.994 340 HG SER 45 HG SER 45 14.283 -3.596 5.744 341 HB2 SER 45 HB2 SER 45 12.142 -2.264 6.812 342 HB3 SER 45 HB1 SER 45 13.683 -1.785 7.522 343 H THR 46 HN THR 46 13.636 -2.043 9.533 344 HA THR 46 HA THR 46 12.296 -3.294 11.717 345 HB THR 46 HB THR 46 12.863 -1.097 12.878 346 HG1 THR 46 HG1 THR 46 14.235 0.276 11.774 347 HG21 THR 46 HG21 THR 46 15.100 -2.691 11.622 348 HG22 THR 46 HG22 THR 46 14.214 -3.140 13.078 349 HG23 THR 46 HG23 THR 46 15.221 -1.693 13.072 350 H ASP 47 HN ASP 47 11.875 0.021 10.620 351 HA ASP 47 HA ASP 47 8.969 -0.311 10.819 352 HB2 ASP 47 HB2 ASP 47 8.806 1.803 12.108 353 HB3 ASP 47 HB1 ASP 47 9.639 0.527 12.984 354 H GLU 48 HN GLU 48 11.351 0.521 8.809 355 HA GLU 48 HA GLU 48 9.571 2.243 7.306 356 HB2 GLU 48 HB2 GLU 48 11.313 3.931 6.859 357 HB3 GLU 48 HB1 GLU 48 10.838 3.878 8.549 358 HG2 GLU 48 HG2 GLU 48 12.846 2.634 9.102 359 HG3 GLU 48 HG1 GLU 48 13.313 2.608 7.402 360 H LYS 49 HN LYS 49 9.721 2.008 5.155 361 HA LYS 49 HA LYS 49 12.151 1.117 3.893 362 HB2 LYS 49 HB2 LYS 49 11.043 -1.025 4.623 363 HB3 LYS 49 HB1 LYS 49 9.678 -0.603 3.597 364 HG2 LYS 49 HG2 LYS 49 11.067 -0.691 1.633 365 HG3 LYS 49 HG1 LYS 49 12.501 -0.972 2.620 366 HD2 LYS 49 HD2 LYS 49 11.481 -3.081 3.422 367 HD3 LYS 49 HD1 LYS 49 10.126 -2.807 2.324 368 HE2 LYS 49 HE2 LYS 49 11.634 -4.314 1.253 369 HE3 LYS 49 HE1 LYS 49 11.765 -2.756 0.441 370 HZ1 LYS 49 HZ1 LYS 49 13.741 -2.335 1.926 371 HZ2 LYS 49 HZ2 LYS 49 13.945 -3.531 0.741 372 HZ3 LYS 49 HZ3 LYS 49 13.674 -3.977 2.351 373 H ILE 50 HN ILE 50 12.264 1.952 1.855 374 HA ILE 50 HA ILE 50 9.832 3.316 0.906 375 HB ILE 50 HB ILE 50 11.709 4.821 1.562 376 HG12 ILE 50 HG12 ILE 50 11.069 4.840 -1.398 377 HG13 ILE 50 HG11 ILE 50 10.050 5.519 -0.133 378 HG21 ILE 50 HG21 ILE 50 13.701 4.945 0.141 379 HG22 ILE 50 HG22 ILE 50 13.146 3.533 -0.756 380 HG23 ILE 50 HG23 ILE 50 13.577 3.381 0.948 381 HD11 ILE 50 HD11 ILE 50 11.782 7.142 0.397 382 HD12 ILE 50 HD12 ILE 50 11.313 7.238 -1.299 383 HD13 ILE 50 HD13 ILE 50 12.823 6.448 -0.844 384 H CYS 51 HN CYS 51 9.349 3.296 -1.310 385 HA CYS 51 HA CYS 51 10.579 1.150 -2.854 386 HB2 CYS 51 HB2 CYS 51 8.164 1.178 -2.894 387 HB3 CYS 51 HB1 CYS 51 8.140 2.881 -3.328 388 HA PRO 52 HA PRO 52 13.367 4.269 -4.601 389 HB2 PRO 52 HB2 PRO 52 14.236 2.451 -6.556 390 HB3 PRO 52 HB1 PRO 52 15.013 2.754 -5.001 391 HG2 PRO 52 HG2 PRO 52 13.171 0.562 -5.801 392 HG3 PRO 52 HG1 PRO 52 14.532 0.533 -4.666 393 HD2 PRO 52 HD2 PRO 52 11.983 0.545 -3.813 394 HD3 PRO 52 HD1 PRO 52 13.263 1.403 -2.930 395 H TYR 53 HN TYR 53 11.535 1.982 -6.615 396 HA TYR 53 HA TYR 53 11.015 3.964 -8.636 397 HD1 TYR 53 HD2 TYR 53 11.828 2.674 -10.887 398 HD2 TYR 53 HD1 TYR 53 11.286 -0.370 -7.955 399 HE1 TYR 53 HE2 TYR 53 13.791 1.485 -11.766 400 HE2 TYR 53 HE1 TYR 53 13.253 -1.562 -8.827 401 HH TYR 53 HH TYR 53 15.400 -0.132 -11.138 402 HB2 TYR 53 HB2 TYR 53 9.650 1.289 -8.208 403 HB3 TYR 53 HB1 TYR 53 9.598 2.269 -9.668 404 H CYS 54 HN CYS 54 10.242 5.500 -6.930 405 HA CYS 54 HA CYS 54 7.543 6.030 -7.116 406 HB2 CYS 54 HB2 CYS 54 8.173 4.254 -4.821 407 HB3 CYS 54 HB1 CYS 54 7.120 5.624 -4.491 408 H SER 55 HN SER 55 9.992 6.101 -4.498 409 HA SER 55 HA SER 55 10.468 7.674 -2.939 410 HG SER 55 HG SER 55 11.391 10.225 -3.066 411 HB2 SER 55 HB2 SER 55 10.948 9.182 -4.899 412 HB3 SER 55 HB1 SER 55 9.272 9.723 -4.835 413 H THR 56 HN THR 56 9.104 6.955 -1.392 414 HA THR 56 HA THR 56 6.613 7.999 -0.759 415 HB THR 56 HB THR 56 6.487 5.258 -2.075 416 HG1 THR 56 HG1 THR 56 6.280 7.721 -3.206 417 HG21 THR 56 HG21 THR 56 4.298 7.050 -1.028 418 HG22 THR 56 HG22 THR 56 4.891 5.580 -0.253 419 HG23 THR 56 HG23 THR 56 4.069 5.487 -1.812 420 H LEU 57 HN LEU 57 8.430 7.847 0.910 421 HA LEU 57 HA LEU 57 9.424 5.383 1.808 422 HG LEU 57 HG LEU 57 11.481 5.931 3.055 423 HB2 LEU 57 HB2 LEU 57 10.130 7.886 2.297 424 HB3 LEU 57 HB1 LEU 57 9.098 7.678 3.698 425 HD11 LEU 57 HD11 LEU 57 12.576 7.117 4.899 426 HD12 LEU 57 HD12 LEU 57 11.191 8.202 5.015 427 HD13 LEU 57 HD13 LEU 57 12.187 8.193 3.559 428 HD21 LEU 57 HD21 LEU 57 11.224 5.129 5.342 429 HD22 LEU 57 HD22 LEU 57 9.773 4.801 4.395 430 HD23 LEU 57 HD23 LEU 57 9.791 6.137 5.546 431 H TYR 58 HN TYR 58 8.132 3.782 2.444 432 HA TYR 58 HA TYR 58 5.644 4.311 3.784 433 HD1 TYR 58 HD2 TYR 58 3.515 2.968 2.880 434 HD2 TYR 58 HD1 TYR 58 6.958 1.942 0.603 435 HE1 TYR 58 HE2 TYR 58 2.202 3.173 0.816 436 HE2 TYR 58 HE1 TYR 58 5.651 2.149 -1.473 437 HH TYR 58 HH TYR 58 2.552 3.568 -1.560 438 HB2 TYR 58 HB2 TYR 58 7.026 1.765 2.947 439 HB3 TYR 58 HB1 TYR 58 5.533 1.763 3.881 440 H ARG 59 HN ARG 59 5.707 4.922 5.797 441 HA ARG 59 HA ARG 59 7.663 3.686 7.602 442 HE ARG 59 HE ARG 59 9.624 9.006 7.699 443 HB2 ARG 59 HB2 ARG 59 6.022 6.200 7.864 444 HB3 ARG 59 HB1 ARG 59 6.948 5.517 9.193 445 HG2 ARG 59 HG2 ARG 59 8.951 5.653 7.587 446 HG3 ARG 59 HG1 ARG 59 7.930 6.752 6.654 447 HD2 ARG 59 HD2 ARG 59 7.671 8.195 8.583 448 HD3 ARG 59 HD1 ARG 59 8.595 7.072 9.578 449 HH11 ARG 59 HH11 ARG 59 10.310 6.051 9.477 450 HH12 ARG 59 HH12 ARG 59 12.038 6.259 9.393 451 HH21 ARG 59 HH21 ARG 59 11.874 9.306 7.649 452 HH22 ARG 59 HH22 ARG 59 12.928 8.116 8.357 453 H TYR 60 HN TYR 60 7.054 2.144 8.899 454 HA TYR 60 HA TYR 60 4.219 1.911 9.622 455 HD1 TYR 60 HD2 TYR 60 2.864 -0.156 10.483 456 HD2 TYR 60 HD1 TYR 60 6.819 -1.550 11.182 457 HE1 TYR 60 HE2 TYR 60 2.030 -1.598 12.294 458 HE2 TYR 60 HE1 TYR 60 5.999 -2.991 12.993 459 HH TYR 60 HH TYR 60 2.707 -3.639 13.500 460 HB2 TYR 60 HB2 TYR 60 4.916 -0.137 8.688 461 HB3 TYR 60 HB1 TYR 60 6.483 -0.068 9.484 462 H ASP 61 HN ASP 61 3.896 3.124 11.376 463 HA ASP 61 HA ASP 61 5.938 3.214 13.466 464 HB2 ASP 61 HB2 ASP 61 4.856 5.320 12.569 465 HB3 ASP 61 HB1 ASP 61 3.358 4.788 13.330 466 HA PRO 62 HA PRO 62 3.897 0.202 15.979 467 HB2 PRO 62 HB2 PRO 62 4.593 1.275 18.446 468 HB3 PRO 62 HB1 PRO 62 5.583 0.169 17.489 469 HG2 PRO 62 HG2 PRO 62 5.726 3.142 17.703 470 HG3 PRO 62 HG1 PRO 62 7.043 1.960 17.591 471 HD2 PRO 62 HD2 PRO 62 6.307 3.428 15.475 472 HD3 PRO 62 HD1 PRO 62 6.803 1.731 15.291 473 H SER 63 HN SER 63 3.278 3.637 16.354 474 HA SER 63 HA SER 63 1.048 3.276 18.129 475 HG SER 63 HG SER 63 0.610 6.617 18.415 476 HB2 SER 63 HB2 SER 63 2.346 5.394 18.047 477 HB3 SER 63 HB1 SER 63 1.750 5.674 16.410 478 H LEU 64 HN LEU 64 1.552 3.223 14.704 479 HA LEU 64 HA LEU 64 -1.193 3.665 13.983 480 HG LEU 64 HG LEU 64 1.467 4.931 12.994 481 HB2 LEU 64 HB2 LEU 64 1.119 2.561 12.384 482 HB3 LEU 64 HB1 LEU 64 -0.450 2.972 11.721 483 HD11 LEU 64 HD11 LEU 64 1.805 5.759 10.729 484 HD12 LEU 64 HD12 LEU 64 0.760 4.486 10.098 485 HD13 LEU 64 HD13 LEU 64 2.295 4.072 10.864 486 HD21 LEU 64 HD21 LEU 64 -0.873 5.586 13.257 487 HD22 LEU 64 HD22 LEU 64 -1.128 5.384 11.524 488 HD23 LEU 64 HD23 LEU 64 -0.038 6.638 12.117 489 H SER 65 HN SER 65 -2.723 2.154 13.434 490 HA SER 65 HA SER 65 -2.138 -0.580 14.294 491 HG SER 65 HG SER 65 -3.235 0.539 16.022 492 HB2 SER 65 HB2 SER 65 -4.814 0.706 13.704 493 HB3 SER 65 HB1 SER 65 -4.549 -0.873 14.444 494 H TYR 66 HN TYR 66 -3.204 -2.342 13.032 495 HA TYR 66 HA TYR 66 -2.186 -2.224 10.379 496 HD1 TYR 66 HD1 TYR 66 -2.012 -3.816 13.725 497 HD2 TYR 66 HD2 TYR 66 -0.864 -5.265 9.893 498 HE1 TYR 66 HE1 TYR 66 0.160 -4.518 14.646 499 HE2 TYR 66 HE2 TYR 66 1.308 -5.968 10.802 500 HH TYR 66 HH TYR 66 1.951 -6.075 14.169 501 HB2 TYR 66 HB2 TYR 66 -3.696 -4.369 11.873 502 HB3 TYR 66 HB1 TYR 66 -3.075 -4.582 10.240 503 H ASN 67 HN ASN 67 -5.066 -1.127 11.562 504 HA ASN 67 HA ASN 67 -6.544 -1.772 9.113 505 HB2 ASN 67 HB2 ASN 67 -7.470 -0.687 11.779 506 HB3 ASN 67 HB1 ASN 67 -8.513 -0.793 10.365 507 HD21 ASN 67 HD21 ASN 67 -9.200 -2.802 9.652 508 HD22 ASN 67 HD22 ASN 67 -9.069 -4.224 10.624 509 H GLN 68 HN GLN 68 -4.482 0.516 10.166 510 HA GLN 68 HA GLN 68 -5.821 2.613 8.592 511 HB2 GLN 68 HB2 GLN 68 -4.031 3.017 11.000 512 HB3 GLN 68 HB1 GLN 68 -4.640 4.303 9.973 513 HG2 GLN 68 HG2 GLN 68 -6.175 4.436 11.621 514 HG3 GLN 68 HG1 GLN 68 -6.966 3.204 10.640 515 HE21 GLN 68 HE21 GLN 68 -5.170 3.852 13.541 516 HE22 GLN 68 HE22 GLN 68 -5.497 2.343 14.322 517 H THR 69 HN THR 69 -4.171 4.257 7.775 518 HA THR 69 HA THR 69 -1.649 2.936 7.123 519 HB THR 69 HB THR 69 -2.813 2.641 5.115 520 HG1 THR 69 HG1 THR 69 -0.736 4.197 5.150 521 HG21 THR 69 HG21 THR 69 -4.320 4.074 4.110 522 HG22 THR 69 HG22 THR 69 -3.624 5.507 4.859 523 HG23 THR 69 HG23 THR 69 -4.608 4.398 5.822 524 H ASN 70 HN ASN 70 -3.138 6.077 6.553 525 HA ASN 70 HA ASN 70 -0.950 7.379 7.914 526 HB2 ASN 70 HB2 ASN 70 -0.398 8.793 5.999 527 HB3 ASN 70 HB1 ASN 70 -0.170 7.099 5.586 528 HD21 ASN 70 HD21 ASN 70 -1.538 6.135 4.083 529 HD22 ASN 70 HD22 ASN 70 -2.567 7.069 3.056 530 HA PRO 71 HA PRO 71 -3.797 10.378 9.238 531 HB2 PRO 71 HB2 PRO 71 -2.897 12.819 8.350 532 HB3 PRO 71 HB1 PRO 71 -2.210 11.939 9.717 533 HG2 PRO 71 HG2 PRO 71 -1.258 12.081 6.887 534 HG3 PRO 71 HG1 PRO 71 -0.318 12.133 8.390 535 HD2 PRO 71 HD2 PRO 71 -0.480 9.893 6.907 536 HD3 PRO 71 HD1 PRO 71 -0.430 9.834 8.684 537 H THR 72 HN THR 72 -5.236 12.270 8.671 538 HA THR 72 HA THR 72 -6.814 13.297 7.416 539 HB THR 72 HB THR 72 -5.498 12.079 4.980 540 HG1 THR 72 HG1 THR 72 -4.013 13.544 5.308 541 HG21 THR 72 HG21 THR 72 -6.626 13.866 3.757 542 HG22 THR 72 HG22 THR 72 -7.359 14.445 5.252 543 HG23 THR 72 HG23 THR 72 -7.807 12.866 4.606 544 H GLY 73 HN GLY 73 -6.235 10.208 5.703 545 HA2 GLY 73 HA2 GLY 73 -7.961 8.463 6.549 546 HA3 GLY 73 HA1 GLY 73 -9.115 9.656 5.970 547 H CYS 74 HN CYS 74 -6.059 8.457 4.640 548 HA CYS 74 HA CYS 74 -7.182 8.331 2.008 549 HG CYS 74 HG CYS 74 -3.511 9.759 3.325 550 HB2 CYS 74 HB2 CYS 74 -4.474 7.418 3.008 551 HB3 CYS 74 HB1 CYS 74 -4.926 7.702 1.330 552 H LEU 75 HN LEU 75 -8.821 6.735 2.270 553 HA LEU 75 HA LEU 75 -7.764 3.992 2.299 554 HG LEU 75 HG LEU 75 -10.006 2.702 4.933 555 HB2 LEU 75 HB2 LEU 75 -8.993 4.795 4.442 556 HB3 LEU 75 HB1 LEU 75 -10.445 4.682 3.472 557 HD11 LEU 75 HD11 LEU 75 -10.043 2.129 1.977 558 HD12 LEU 75 HD12 LEU 75 -11.447 2.517 2.970 559 HD13 LEU 75 HD13 LEU 75 -10.548 1.028 3.258 560 HD21 LEU 75 HD21 LEU 75 -8.288 1.105 4.241 561 HD22 LEU 75 HD22 LEU 75 -7.585 2.643 4.742 562 HD23 LEU 75 HD23 LEU 75 -7.715 2.251 3.028 563 H TYR 76 HN TYR 76 -8.262 2.962 0.477 564 HA TYR 76 HA TYR 76 -10.095 4.281 -1.358 565 HD1 TYR 76 HD2 TYR 76 -10.323 4.415 -3.636 566 HD2 TYR 76 HD1 TYR 76 -8.063 0.810 -3.655 567 HE1 TYR 76 HE2 TYR 76 -11.237 3.862 -5.852 568 HE2 TYR 76 HE1 TYR 76 -8.977 0.243 -5.867 569 HH TYR 76 HH TYR 76 -10.645 2.481 -7.807 570 HB2 TYR 76 HB2 TYR 76 -7.899 3.815 -2.235 571 HB3 TYR 76 HB1 TYR 76 -8.018 2.123 -1.772 572 H ASN 77 HN ASN 77 -12.120 3.652 -1.354 573 HA ASN 77 HA ASN 77 -12.712 0.776 -1.149 574 HB2 ASN 77 HB2 ASN 77 -14.337 3.173 -0.307 575 HB3 ASN 77 HB1 ASN 77 -15.069 1.592 -0.547 576 HD21 ASN 77 HD21 ASN 77 -12.717 0.165 0.449 577 HD22 ASN 77 HD22 ASN 77 -12.739 0.361 2.169 578 HA PRO 78 HA PRO 78 -13.462 1.525 -5.550 579 HB2 PRO 78 HB2 PRO 78 -14.143 -1.360 -5.384 580 HB3 PRO 78 HB1 PRO 78 -13.037 -0.525 -6.479 581 HG2 PRO 78 HG2 PRO 78 -12.098 -2.020 -4.485 582 HG3 PRO 78 HG1 PRO 78 -11.312 -0.491 -4.924 583 HD2 PRO 78 HD2 PRO 78 -13.149 -1.092 -2.637 584 HD3 PRO 78 HD1 PRO 78 -11.690 -0.078 -2.676 585 H LYS 79 HN LYS 79 -15.570 -0.477 -3.502 586 HA LYS 79 HA LYS 79 -17.858 1.022 -4.451 587 HB2 LYS 79 HB2 LYS 79 -19.169 -1.064 -4.880 588 HB3 LYS 79 HB1 LYS 79 -17.885 -0.764 -6.039 589 HG2 LYS 79 HG2 LYS 79 -16.484 -2.353 -4.579 590 HG3 LYS 79 HG1 LYS 79 -18.038 -2.845 -3.898 591 HD2 LYS 79 HD2 LYS 79 -18.819 -3.260 -6.254 592 HD3 LYS 79 HD1 LYS 79 -17.152 -3.004 -6.774 593 HE2 LYS 79 HE2 LYS 79 -17.365 -5.329 -6.556 594 HE3 LYS 79 HE1 LYS 79 -16.526 -4.814 -5.095 595 HZ1 LYS 79 HZ1 LYS 79 -18.870 -4.721 -4.091 596 HZ2 LYS 79 HZ2 LYS 79 -18.147 -6.235 -4.309 597 HZ3 LYS 79 HZ3 LYS 79 -19.321 -5.698 -5.404 598 H LEU 80 HN LEU 80 -19.677 0.871 -3.040 599 HA LEU 80 HA LEU 80 -18.619 0.725 -0.338 600 HG LEU 80 HG LEU 80 -22.201 1.168 -1.212 601 HB2 LEU 80 HB2 LEU 80 -20.393 2.192 0.292 602 HB3 LEU 80 HB1 LEU 80 -19.664 2.800 -1.180 603 HD11 LEU 80 HD11 LEU 80 -23.431 3.269 -1.315 604 HD12 LEU 80 HD12 LEU 80 -21.934 4.167 -1.058 605 HD13 LEU 80 HD13 LEU 80 -22.563 3.116 0.212 606 HD21 LEU 80 HD21 LEU 80 -22.538 2.251 -3.370 607 HD22 LEU 80 HD22 LEU 80 -20.997 1.390 -3.341 608 HD23 LEU 80 HD23 LEU 80 -21.031 3.145 -3.170 609 H GLU 81 HN GLU 81 -20.522 -1.297 -2.235 610 HA GLU 81 HA GLU 81 -22.404 -1.898 -0.121 611 HB2 GLU 81 HB2 GLU 81 -23.187 -3.651 -1.912 612 HB3 GLU 81 HB1 GLU 81 -23.584 -1.948 -2.068 613 HG2 GLU 81 HG2 GLU 81 -22.925 -2.656 -4.201 614 HG3 GLU 81 HG1 GLU 81 -21.564 -1.739 -3.562 615 H HIS 82 HN HIS 82 -20.529 -2.555 1.249 616 HA HIS 82 HA HIS 82 -19.286 -5.060 1.016 617 HD1 HIS 82 HD1 HIS 82 -20.266 -6.363 4.542 618 HD2 HIS 82 HD2 HIS 82 -16.624 -4.752 3.340 619 HE1 HIS 82 HE1 HIS 82 -18.502 -7.798 5.611 620 HE2 HIS 82 HE2 HIS 82 -16.325 -6.650 5.075 621 HB2 HIS 82 HB2 HIS 82 -18.865 -3.293 2.800 622 HB3 HIS 82 HB1 HIS 82 -20.337 -3.845 3.588 623 H HIS 83 HN HIS 83 -22.354 -4.101 2.503 624 HA HIS 83 HA HIS 83 -23.387 -6.814 2.141 625 HD1 HIS 83 HD1 HIS 83 -27.126 -4.623 2.706 626 HD2 HIS 83 HD2 HIS 83 -25.381 -8.170 4.006 627 HE1 HIS 83 HE1 HIS 83 -29.011 -6.279 2.901 628 HE2 HIS 83 HE2 HIS 83 -27.908 -8.458 3.528 629 HB2 HIS 83 HB2 HIS 83 -23.970 -5.620 4.233 630 HB3 HIS 83 HB1 HIS 83 -24.719 -4.339 3.286 631 H HIS 84 HN HIS 84 -24.039 -7.269 0.150 632 HA HIS 84 HA HIS 84 -24.345 -5.204 -1.814 633 HD1 HIS 84 HD1 HIS 84 -21.970 -6.200 -3.231 634 HD2 HIS 84 HD2 HIS 84 -23.106 -9.657 -1.205 635 HE1 HIS 84 HE1 HIS 84 -19.843 -7.462 -2.782 636 HE2 HIS 84 HE2 HIS 84 -20.591 -9.662 -1.807 637 HB2 HIS 84 HB2 HIS 84 -25.097 -8.106 -2.177 638 HB3 HIS 84 HB1 HIS 84 -24.598 -6.956 -3.409 639 H HIS 85 HN HIS 85 -26.152 -4.021 -2.026 640 HA HIS 85 HA HIS 85 -28.655 -4.764 -0.990 641 HD1 HIS 85 HD1 HIS 85 -26.192 -1.525 -2.761 642 HD2 HIS 85 HD2 HIS 85 -29.289 -2.954 -5.142 643 HE1 HIS 85 HE1 HIS 85 -25.669 -0.747 -5.089 644 HE2 HIS 85 HE2 HIS 85 -27.695 -1.386 -6.441 645 HB2 HIS 85 HB2 HIS 85 -29.599 -2.904 -2.317 646 HB3 HIS 85 HB1 HIS 85 -28.171 -2.421 -1.421 647 H HIS 86 HN HIS 86 -29.990 -6.281 -1.640 648 HA HIS 86 HA HIS 86 -29.515 -7.413 -4.318 649 HD1 HIS 86 HD1 HIS 86 -28.962 -8.507 -0.050 650 HD2 HIS 86 HD2 HIS 86 -32.572 -9.557 -1.817 651 HE1 HIS 86 HE1 HIS 86 -30.543 -8.935 1.853 652 HE2 HIS 86 HE2 HIS 86 -32.656 -9.776 0.762 653 HB2 HIS 86 HB2 HIS 86 -30.158 -9.595 -3.363 654 HB3 HIS 86 HB1 HIS 86 -28.763 -8.903 -2.545 655 H HIS 87 HN HIS 87 -31.367 -8.766 -5.125 656 HA HIS 87 HA HIS 87 -33.866 -7.266 -4.740 657 HD1 HIS 87 HD1 HIS 87 -34.775 -5.904 -7.553 658 HD2 HIS 87 HD2 HIS 87 -30.848 -7.283 -7.578 659 HE1 HIS 87 HE1 HIS 87 -33.426 -4.102 -8.680 660 HE2 HIS 87 HE2 HIS 87 -31.108 -5.064 -8.882 661 HB2 HIS 87 HB2 HIS 87 -32.967 -9.088 -6.986 662 HB3 HIS 87 HB1 HIS 87 -34.560 -8.350 -6.889 Start of MODEL 12 1 HA MET 1 HA MET 1 -2.800 -10.278 -11.428 2 H1 MET 1 HT1 MET 1 -3.146 -7.908 -11.176 3 H2 MET 1 HT2 MET 1 -4.694 -8.186 -10.541 4 H3 MET 1 HT3 MET 1 -4.343 -8.620 -12.142 5 HB2 MET 1 HB2 MET 1 -2.044 -9.151 -9.379 6 HB3 MET 1 HB1 MET 1 -3.610 -9.442 -8.635 7 HG2 MET 1 HG2 MET 1 -1.946 -11.022 -7.837 8 HG3 MET 1 HG1 MET 1 -3.231 -11.839 -8.722 9 HE1 MET 1 HE1 MET 1 -0.024 -13.985 -9.490 10 HE2 MET 1 HE2 MET 1 -1.662 -14.006 -8.839 11 HE3 MET 1 HE3 MET 1 -0.384 -13.135 -7.988 12 H ALA 2 HN ALA 2 -5.363 -10.076 -8.990 13 HA ALA 2 HA ALA 2 -7.402 -11.424 -10.289 14 HB1 ALA 2 HB1 ALA 2 -5.671 -13.336 -8.715 15 HB2 ALA 2 HB2 ALA 2 -5.813 -13.306 -10.472 16 HB3 ALA 2 HB3 ALA 2 -7.215 -13.709 -9.481 17 H ASP 3 HN ASP 3 -5.848 -12.146 -7.174 18 HA ASP 3 HA ASP 3 -8.318 -11.450 -5.793 19 HB2 ASP 3 HB2 ASP 3 -5.748 -12.504 -4.595 20 HB3 ASP 3 HB1 ASP 3 -7.338 -12.478 -3.845 21 H TYR 4 HN TYR 4 -8.571 -9.690 -4.524 22 HA TYR 4 HA TYR 4 -6.306 -7.830 -4.362 23 HD1 TYR 4 HD1 TYR 4 -9.901 -7.146 -2.206 24 HD2 TYR 4 HD2 TYR 4 -9.926 -7.803 -6.408 25 HE1 TYR 4 HE1 TYR 4 -12.271 -7.794 -2.087 26 HE2 TYR 4 HE2 TYR 4 -12.293 -8.454 -6.300 27 HH TYR 4 HH TYR 4 -13.922 -9.252 -4.739 28 HB2 TYR 4 HB2 TYR 4 -8.154 -6.153 -3.765 29 HB3 TYR 4 HB1 TYR 4 -8.085 -6.725 -5.426 30 H ASN 5 HN ASN 5 -6.641 -10.119 -2.632 31 HA ASN 5 HA ASN 5 -7.734 -9.430 -0.131 32 HB2 ASN 5 HB2 ASN 5 -7.295 -11.756 -0.808 33 HB3 ASN 5 HB1 ASN 5 -5.564 -11.440 -0.766 34 HD21 ASN 5 HD21 ASN 5 -8.440 -11.900 1.126 35 HD22 ASN 5 HD22 ASN 5 -7.647 -12.135 2.642 36 H ILE 6 HN ILE 6 -4.511 -9.069 -1.468 37 HA ILE 6 HA ILE 6 -3.330 -8.248 1.001 38 HB ILE 6 HB ILE 6 -1.360 -7.624 -0.348 39 HG12 ILE 6 HG12 ILE 6 -3.002 -8.552 -2.715 40 HG13 ILE 6 HG11 ILE 6 -2.603 -6.873 -2.368 41 HG21 ILE 6 HG21 ILE 6 -1.611 -9.901 0.456 42 HG22 ILE 6 HG22 ILE 6 -0.828 -9.891 -1.125 43 HG23 ILE 6 HG23 ILE 6 -2.531 -10.327 -0.986 44 HD11 ILE 6 HD11 ILE 6 -1.154 -7.815 -4.082 45 HD12 ILE 6 HD12 ILE 6 -0.617 -9.057 -2.951 46 HD13 ILE 6 HD13 ILE 6 -0.240 -7.363 -2.643 47 HA PRO 7 HA PRO 7 -4.453 -4.050 1.422 48 HB2 PRO 7 HB2 PRO 7 -1.531 -3.565 1.798 49 HB3 PRO 7 HB1 PRO 7 -2.895 -3.062 2.804 50 HG2 PRO 7 HG2 PRO 7 -1.383 -5.104 3.553 51 HG3 PRO 7 HG1 PRO 7 -3.145 -5.173 3.751 52 HD2 PRO 7 HD2 PRO 7 -1.410 -6.503 1.716 53 HD3 PRO 7 HD1 PRO 7 -2.874 -7.104 2.517 54 H HIS 8 HN HIS 8 -4.890 -2.551 -0.002 55 HA HIS 8 HA HIS 8 -2.952 -1.959 -2.138 56 HD1 HIS 8 HD1 HIS 8 -4.680 -4.931 -2.403 57 HD2 HIS 8 HD2 HIS 8 -4.286 -2.350 -5.642 58 HE1 HIS 8 HE1 HIS 8 -4.079 -6.385 -4.366 59 HE2 HIS 8 HE2 HIS 8 -4.123 -4.826 -6.349 60 HB2 HIS 8 HB2 HIS 8 -5.898 -2.446 -2.253 61 HB3 HIS 8 HB1 HIS 8 -5.206 -1.272 -3.361 62 H PHE 9 HN PHE 9 -2.678 0.201 -2.664 63 HA PHE 9 HA PHE 9 -4.114 2.127 -0.963 64 HD1 PHE 9 HD1 PHE 9 -3.085 2.798 1.292 65 HD2 PHE 9 HD2 PHE 9 -0.047 0.638 -0.753 66 HE1 PHE 9 HE1 PHE 9 -2.443 1.714 3.405 67 HE2 PHE 9 HE2 PHE 9 0.600 -0.452 1.353 68 HZ PHE 9 HZ PHE 9 -0.597 0.085 3.435 69 HB2 PHE 9 HB2 PHE 9 -1.234 2.257 -1.885 70 HB3 PHE 9 HB1 PHE 9 -2.066 3.518 -0.981 71 H GLN 10 HN GLN 10 -3.420 4.467 -2.043 72 HA GLN 10 HA GLN 10 -3.945 4.294 -4.912 73 HB2 GLN 10 HB2 GLN 10 -5.686 6.054 -4.724 74 HB3 GLN 10 HB1 GLN 10 -6.143 4.555 -3.933 75 HG2 GLN 10 HG2 GLN 10 -6.648 5.760 -2.144 76 HG3 GLN 10 HG1 GLN 10 -4.923 6.051 -1.934 77 HE21 GLN 10 HE21 GLN 10 -7.185 7.761 -1.264 78 HE22 GLN 10 HE22 GLN 10 -6.953 9.240 -2.136 79 H ASN 11 HN ASN 11 -2.520 5.507 -5.963 80 HA ASN 11 HA ASN 11 -1.539 7.947 -4.651 81 HB2 ASN 11 HB2 ASN 11 0.120 5.951 -6.214 82 HB3 ASN 11 HB1 ASN 11 0.699 7.515 -5.649 83 HD21 ASN 11 HD21 ASN 11 1.243 7.778 -3.513 84 HD22 ASN 11 HD22 ASN 11 1.307 6.463 -2.391 85 H ASP 12 HN ASP 12 -2.904 9.241 -5.872 86 HA ASP 12 HA ASP 12 -2.623 9.238 -8.768 87 HB2 ASP 12 HB2 ASP 12 -4.839 9.701 -7.894 88 HB3 ASP 12 HB1 ASP 12 -4.214 11.023 -6.910 89 H LEU 13 HN LEU 13 -2.231 11.646 -6.195 90 HA LEU 13 HA LEU 13 -0.712 13.427 -7.808 91 HG LEU 13 HG LEU 13 0.050 12.897 -4.182 92 HB2 LEU 13 HB2 LEU 13 -0.454 14.762 -5.829 93 HB3 LEU 13 HB1 LEU 13 -2.098 14.163 -5.887 94 HD11 LEU 13 HD11 LEU 13 -0.956 14.109 -2.301 95 HD12 LEU 13 HD12 LEU 13 -1.983 14.992 -3.432 96 HD13 LEU 13 HD13 LEU 13 -0.233 15.200 -3.482 97 HD21 LEU 13 HD21 LEU 13 -1.881 11.472 -4.671 98 HD22 LEU 13 HD22 LEU 13 -2.962 12.735 -4.084 99 HD23 LEU 13 HD23 LEU 13 -1.844 11.945 -2.971 100 H GLY 14 HN GLY 14 0.083 10.880 -5.547 101 HA2 GLY 14 HA2 GLY 14 2.316 9.842 -6.108 102 HA3 GLY 14 HA1 GLY 14 2.943 11.475 -5.926 103 H TYR 15 HN TYR 15 3.004 12.437 -3.878 104 HA TYR 15 HA TYR 15 3.316 12.535 -1.632 105 HD1 TYR 15 HD2 TYR 15 2.661 13.248 0.172 106 HD2 TYR 15 HD1 TYR 15 1.036 9.361 0.755 107 HE1 TYR 15 HE2 TYR 15 2.702 13.602 2.606 108 HE2 TYR 15 HE1 TYR 15 1.066 9.704 3.189 109 HH TYR 15 HH TYR 15 2.360 11.129 4.828 110 HB2 TYR 15 HB2 TYR 15 0.952 11.591 -1.592 111 HB3 TYR 15 HB1 TYR 15 1.679 10.004 -1.384 112 H LYS 16 HN LYS 16 5.505 12.187 -1.793 113 HA LYS 16 HA LYS 16 6.509 9.573 -2.407 114 HB2 LYS 16 HB2 LYS 16 7.921 12.185 -1.910 115 HB3 LYS 16 HB1 LYS 16 8.744 10.695 -2.355 116 HG2 LYS 16 HG2 LYS 16 7.173 10.667 -4.384 117 HG3 LYS 16 HG1 LYS 16 6.850 12.353 -3.979 118 HD2 LYS 16 HD2 LYS 16 9.583 11.187 -4.511 119 HD3 LYS 16 HD1 LYS 16 8.625 12.095 -5.680 120 HE2 LYS 16 HE2 LYS 16 8.672 14.040 -4.188 121 HE3 LYS 16 HE1 LYS 16 9.643 13.124 -3.035 122 HZ1 LYS 16 HZ1 LYS 16 10.986 14.588 -4.445 123 HZ2 LYS 16 HZ2 LYS 16 10.463 13.744 -5.825 124 HZ3 LYS 16 HZ3 LYS 16 11.400 12.956 -4.655 125 H ILE 17 HN ILE 17 5.498 10.695 0.450 126 HA ILE 17 HA ILE 17 7.145 8.668 1.779 127 HB ILE 17 HB ILE 17 6.501 11.359 3.024 128 HG12 ILE 17 HG12 ILE 17 9.188 10.156 2.319 129 HG13 ILE 17 HG11 ILE 17 8.384 11.430 1.407 130 HG21 ILE 17 HG21 ILE 17 7.939 8.966 4.169 131 HG22 ILE 17 HG22 ILE 17 6.349 9.561 4.646 132 HG23 ILE 17 HG23 ILE 17 7.783 10.541 4.951 133 HD11 ILE 17 HD11 ILE 17 8.527 12.903 3.352 134 HD12 ILE 17 HD12 ILE 17 10.118 12.334 2.844 135 HD13 ILE 17 HD13 ILE 17 9.336 11.622 4.255 136 H ILE 18 HN ILE 18 5.656 7.136 2.229 137 HA ILE 18 HA ILE 18 3.003 8.113 3.118 138 HB ILE 18 HB ILE 18 3.750 5.470 1.882 139 HG12 ILE 18 HG12 ILE 18 2.023 7.785 0.993 140 HG13 ILE 18 HG11 ILE 18 3.541 7.262 0.272 141 HG21 ILE 18 HG21 ILE 18 1.076 6.354 2.967 142 HG22 ILE 18 HG22 ILE 18 2.095 5.072 3.618 143 HG23 ILE 18 HG23 ILE 18 1.366 4.893 2.022 144 HD11 ILE 18 HD11 ILE 18 2.461 5.153 -0.389 145 HD12 ILE 18 HD12 ILE 18 1.690 6.571 -1.098 146 HD13 ILE 18 HD13 ILE 18 0.939 5.750 0.272 147 H GLU 19 HN GLU 19 2.254 7.766 5.079 148 HA GLU 19 HA GLU 19 3.758 6.092 6.949 149 HB2 GLU 19 HB2 GLU 19 1.443 7.986 7.416 150 HB3 GLU 19 HB1 GLU 19 2.353 7.165 8.666 151 HG2 GLU 19 HG2 GLU 19 4.358 8.391 8.034 152 HG3 GLU 19 HG1 GLU 19 3.460 9.199 6.750 153 H ILE 20 HN ILE 20 3.035 4.100 7.548 154 HA ILE 20 HA ILE 20 0.188 3.471 7.265 155 HB ILE 20 HB ILE 20 0.791 1.257 6.214 156 HG12 ILE 20 HG12 ILE 20 3.357 2.723 5.574 157 HG13 ILE 20 HG11 ILE 20 3.206 1.348 6.663 158 HG21 ILE 20 HG21 ILE 20 1.197 3.768 4.605 159 HG22 ILE 20 HG22 ILE 20 -0.337 2.967 4.951 160 HG23 ILE 20 HG23 ILE 20 0.862 2.174 3.929 161 HD11 ILE 20 HD11 ILE 20 2.500 -0.052 4.801 162 HD12 ILE 20 HD12 ILE 20 4.077 0.681 4.499 163 HD13 ILE 20 HD13 ILE 20 2.638 1.327 3.712 164 H GLY 21 HN GLY 21 -0.360 1.342 8.200 165 HA2 GLY 21 HA2 GLY 21 1.489 0.588 10.374 166 HA3 GLY 21 HA1 GLY 21 -0.263 0.555 10.530 167 H VAL 22 HN VAL 22 1.198 -0.441 7.571 168 HA VAL 22 HA VAL 22 0.678 -3.262 8.239 169 HB VAL 22 HB VAL 22 0.070 -3.646 5.883 170 HG11 VAL 22 HG11 VAL 22 -2.127 -2.571 5.924 171 HG12 VAL 22 HG12 VAL 22 -1.573 -1.486 7.199 172 HG13 VAL 22 HG13 VAL 22 -1.697 -3.219 7.507 173 HG21 VAL 22 HG21 VAL 22 1.321 -1.826 4.855 174 HG22 VAL 22 HG22 VAL 22 0.248 -0.646 5.608 175 HG23 VAL 22 HG23 VAL 22 -0.378 -1.759 4.391 176 H LYS 23 HN LYS 23 1.878 -4.751 6.655 177 HA LYS 23 HA LYS 23 4.602 -3.677 6.325 178 HB2 LYS 23 HB2 LYS 23 3.708 -6.412 7.220 179 HB3 LYS 23 HB1 LYS 23 5.366 -6.026 6.784 180 HG2 LYS 23 HG2 LYS 23 5.463 -4.377 8.576 181 HG3 LYS 23 HG1 LYS 23 3.788 -4.742 9.004 182 HD2 LYS 23 HD2 LYS 23 4.361 -6.979 9.613 183 HD3 LYS 23 HD1 LYS 23 5.997 -6.788 8.981 184 HE2 LYS 23 HE2 LYS 23 6.436 -5.079 10.695 185 HE3 LYS 23 HE1 LYS 23 4.812 -5.326 11.337 186 HZ1 LYS 23 HZ1 LYS 23 6.576 -6.546 12.547 187 HZ2 LYS 23 HZ2 LYS 23 6.856 -7.470 11.151 188 HZ3 LYS 23 HZ3 LYS 23 5.354 -7.552 11.934 189 H GLU 24 HN GLU 24 2.397 -6.226 5.134 190 HA GLU 24 HA GLU 24 3.967 -6.285 2.657 191 HB2 GLU 24 HB2 GLU 24 2.780 -8.386 2.142 192 HB3 GLU 24 HB1 GLU 24 3.663 -8.472 3.657 193 HG2 GLU 24 HG2 GLU 24 0.707 -7.932 3.481 194 HG3 GLU 24 HG1 GLU 24 1.401 -9.542 3.648 195 H PHE 25 HN PHE 25 3.249 -5.386 0.872 196 HA PHE 25 HA PHE 25 0.491 -5.232 0.157 197 HD1 PHE 25 HD2 PHE 25 2.616 -3.183 3.015 198 HD2 PHE 25 HD1 PHE 25 1.957 -1.321 -0.753 199 HE1 PHE 25 HE2 PHE 25 4.530 -1.697 3.420 200 HE2 PHE 25 HE1 PHE 25 3.872 0.169 -0.351 201 HZ PHE 25 HZ PHE 25 5.160 -0.019 1.735 202 HB2 PHE 25 HB2 PHE 25 0.310 -2.761 0.185 203 HB3 PHE 25 HB1 PHE 25 0.487 -3.426 1.805 204 H MET 26 HN MET 26 0.468 -3.308 -1.717 205 HA MET 26 HA MET 26 2.927 -3.680 -3.270 206 HB2 MET 26 HB2 MET 26 1.082 -5.205 -4.059 207 HB3 MET 26 HB1 MET 26 0.164 -3.765 -4.483 208 HG2 MET 26 HG2 MET 26 1.895 -3.093 -6.044 209 HG3 MET 26 HG1 MET 26 2.866 -4.494 -5.594 210 HE1 MET 26 HE1 MET 26 3.162 -5.469 -7.949 211 HE2 MET 26 HE2 MET 26 2.395 -4.012 -8.583 212 HE3 MET 26 HE3 MET 26 1.867 -5.600 -9.140 213 H CYS 27 HN CYS 27 3.761 -1.881 -3.961 214 HA CYS 27 HA CYS 27 2.721 0.679 -3.511 215 HB2 CYS 27 HB2 CYS 27 5.055 0.524 -3.749 216 HB3 CYS 27 HB1 CYS 27 4.938 -0.423 -5.225 217 H VAL 28 HN VAL 28 1.516 2.048 -4.735 218 HA VAL 28 HA VAL 28 0.593 1.053 -7.350 219 HB VAL 28 HB VAL 28 -0.891 2.860 -5.426 220 HG11 VAL 28 HG11 VAL 28 -1.455 3.320 -7.740 221 HG12 VAL 28 HG12 VAL 28 -2.803 2.535 -6.917 222 HG13 VAL 28 HG13 VAL 28 -1.781 1.610 -8.017 223 HG21 VAL 28 HG21 VAL 28 -2.390 0.965 -5.067 224 HG22 VAL 28 HG22 VAL 28 -0.739 0.574 -4.582 225 HG23 VAL 28 HG23 VAL 28 -1.378 -0.037 -6.108 226 H GLY 29 HN GLY 29 0.653 2.447 -9.077 227 HA2 GLY 29 HA2 GLY 29 0.558 5.059 -9.378 228 HA3 GLY 29 HA1 GLY 29 2.153 4.922 -8.650 229 H ALA 30 HN ALA 30 1.315 5.841 -11.321 230 HA ALA 30 HA ALA 30 2.356 3.816 -13.121 231 HB1 ALA 30 HB1 ALA 30 1.380 6.615 -13.688 232 HB2 ALA 30 HB2 ALA 30 0.417 5.142 -13.806 233 HB3 ALA 30 HB3 ALA 30 1.782 5.394 -14.895 234 H THR 31 HN THR 31 4.151 4.216 -14.522 235 HA THR 31 HA THR 31 5.823 6.524 -14.030 236 HB THR 31 HB THR 31 7.104 3.812 -13.687 237 HG1 THR 31 HG1 THR 31 5.698 5.383 -11.855 238 HG21 THR 31 HG21 THR 31 8.571 5.663 -14.338 239 HG22 THR 31 HG22 THR 31 8.916 5.139 -12.691 240 HG23 THR 31 HG23 THR 31 7.990 6.613 -12.972 241 H GLN 32 HN GLN 32 6.811 3.373 -15.280 242 HA GLN 32 HA GLN 32 6.468 4.323 -18.017 243 HB2 GLN 32 HB2 GLN 32 9.077 3.224 -16.953 244 HB3 GLN 32 HB1 GLN 32 8.723 3.477 -18.654 245 HG2 GLN 32 HG2 GLN 32 8.362 5.904 -18.097 246 HG3 GLN 32 HG1 GLN 32 9.020 5.547 -16.501 247 HE21 GLN 32 HE21 GLN 32 9.700 5.791 -19.894 248 HE22 GLN 32 HE22 GLN 32 11.427 5.832 -19.750 249 HA PRO 33 HA PRO 33 6.734 -0.421 -18.201 250 HB2 PRO 33 HB2 PRO 33 7.362 -1.561 -15.627 251 HB3 PRO 33 HB1 PRO 33 8.299 -1.645 -17.118 252 HG2 PRO 33 HG2 PRO 33 9.097 -0.272 -14.888 253 HG3 PRO 33 HG1 PRO 33 9.610 0.136 -16.536 254 HD2 PRO 33 HD2 PRO 33 7.482 1.389 -14.843 255 HD3 PRO 33 HD1 PRO 33 8.670 2.162 -15.914 256 H PHE 34 HN PHE 34 5.926 0.049 -14.770 257 HA PHE 34 HA PHE 34 3.626 -1.656 -14.984 258 HD1 PHE 34 HD1 PHE 34 4.026 -3.592 -13.010 259 HD2 PHE 34 HD2 PHE 34 6.851 -0.447 -12.519 260 HE1 PHE 34 HE1 PHE 34 5.784 -5.248 -12.549 261 HE2 PHE 34 HE2 PHE 34 8.614 -2.097 -12.058 262 HZ PHE 34 HZ PHE 34 8.082 -4.501 -12.071 263 HB2 PHE 34 HB2 PHE 34 4.565 0.047 -12.664 264 HB3 PHE 34 HB1 PHE 34 3.346 -1.222 -12.590 265 H ASP 35 HN ASP 35 1.555 -1.099 -15.166 266 HA ASP 35 HA ASP 35 0.874 1.528 -16.026 267 HB2 ASP 35 HB2 ASP 35 -0.940 -0.778 -15.291 268 HB3 ASP 35 HB1 ASP 35 -1.426 0.669 -16.169 269 H HIS 36 HN HIS 36 -0.368 -0.388 -13.292 270 HA HIS 36 HA HIS 36 -0.398 2.055 -11.683 271 HD1 HIS 36 HD1 HIS 36 -2.604 3.941 -11.668 272 HD2 HIS 36 HD2 HIS 36 -3.671 0.981 -14.393 273 HE1 HIS 36 HE1 HIS 36 -3.697 5.145 -13.590 274 HE2 HIS 36 HE2 HIS 36 -4.103 3.360 -15.323 275 HB2 HIS 36 HB2 HIS 36 -2.753 0.170 -11.936 276 HB3 HIS 36 HB1 HIS 36 -2.618 1.443 -10.727 277 HA PRO 37 HA PRO 37 0.009 -1.857 -8.801 278 HB2 PRO 37 HB2 PRO 37 0.510 -4.190 -10.164 279 HB3 PRO 37 HB1 PRO 37 -1.075 -3.748 -9.519 280 HG2 PRO 37 HG2 PRO 37 -0.025 -3.508 -12.306 281 HG3 PRO 37 HG1 PRO 37 -1.636 -3.997 -11.751 282 HD2 PRO 37 HD2 PRO 37 -1.138 -1.530 -12.716 283 HD3 PRO 37 HD1 PRO 37 -2.323 -1.816 -11.424 284 H HIS 38 HN HIS 38 2.006 -1.205 -8.210 285 HA HIS 38 HA HIS 38 4.003 -0.940 -10.310 286 HD2 HIS 38 HD2 HIS 38 4.513 1.270 -11.390 287 HE1 HIS 38 HE1 HIS 38 7.839 2.927 -9.366 288 HE2 HIS 38 HE2 HIS 38 6.467 2.957 -11.464 289 HB2 HIS 38 HB2 HIS 38 3.168 0.891 -8.603 290 HB3 HIS 38 HB1 HIS 38 4.415 0.176 -7.588 291 H ILE 39 HN ILE 39 4.574 -1.379 -6.868 292 HA ILE 39 HA ILE 39 6.439 -3.569 -7.515 293 HB ILE 39 HB ILE 39 7.113 -1.209 -5.738 294 HG12 ILE 39 HG12 ILE 39 7.108 -0.633 -8.156 295 HG13 ILE 39 HG11 ILE 39 8.710 -0.534 -7.432 296 HG21 ILE 39 HG21 ILE 39 9.365 -2.182 -5.667 297 HG22 ILE 39 HG22 ILE 39 8.784 -3.568 -6.591 298 HG23 ILE 39 HG23 ILE 39 8.154 -3.261 -4.972 299 HD11 ILE 39 HD11 ILE 39 8.800 -1.533 -9.638 300 HD12 ILE 39 HD12 ILE 39 7.672 -2.791 -9.131 301 HD13 ILE 39 HD13 ILE 39 9.277 -2.700 -8.406 302 H PHE 40 HN PHE 40 6.356 -5.239 -6.086 303 HA PHE 40 HA PHE 40 4.545 -5.169 -3.873 304 HD1 PHE 40 HD2 PHE 40 3.068 -7.675 -3.785 305 HD2 PHE 40 HD1 PHE 40 5.873 -7.469 -6.983 306 HE1 PHE 40 HE2 PHE 40 1.374 -8.578 -5.325 307 HE2 PHE 40 HE1 PHE 40 4.182 -8.373 -8.526 308 HZ PHE 40 HZ PHE 40 1.931 -8.929 -7.699 309 HB2 PHE 40 HB2 PHE 40 6.592 -7.228 -4.722 310 HB3 PHE 40 HB1 PHE 40 5.482 -7.450 -3.376 311 H ILE 41 HN ILE 41 4.946 -4.404 -1.898 312 HA ILE 41 HA ILE 41 7.762 -4.169 -1.050 313 HB ILE 41 HB ILE 41 5.458 -2.397 -0.205 314 HG12 ILE 41 HG12 ILE 41 6.103 -2.028 -2.566 315 HG13 ILE 41 HG11 ILE 41 6.492 -0.645 -1.549 316 HG21 ILE 41 HG21 ILE 41 7.151 -2.612 1.520 317 HG22 ILE 41 HG22 ILE 41 7.216 -1.002 0.802 318 HG23 ILE 41 HG23 ILE 41 8.417 -2.214 0.356 319 HD11 ILE 41 HD11 ILE 41 8.439 -2.733 -2.506 320 HD12 ILE 41 HD12 ILE 41 8.828 -1.342 -1.496 321 HD13 ILE 41 HD13 ILE 41 8.261 -1.101 -3.148 322 H ASP 42 HN ASP 42 8.328 -5.014 0.874 323 HA ASP 42 HA ASP 42 6.214 -5.990 2.662 324 HB2 ASP 42 HB2 ASP 42 7.374 -8.114 2.956 325 HB3 ASP 42 HB1 ASP 42 6.967 -7.881 1.260 326 H MET 43 HN MET 43 6.882 -6.265 4.859 327 HA MET 43 HA MET 43 9.455 -4.997 5.517 328 HB2 MET 43 HB2 MET 43 6.845 -4.563 6.983 329 HB3 MET 43 HB1 MET 43 8.403 -3.889 7.434 330 HG2 MET 43 HG2 MET 43 8.451 -2.613 5.351 331 HG3 MET 43 HG1 MET 43 6.875 -3.276 4.916 332 HE1 MET 43 HE1 MET 43 5.738 -0.954 4.605 333 HE2 MET 43 HE2 MET 43 7.317 -0.215 4.872 334 HE3 MET 43 HE3 MET 43 5.904 0.381 5.744 335 H GLY 44 HN GLY 44 10.694 -6.415 6.549 336 HA2 GLY 44 HA2 GLY 44 9.382 -8.342 8.359 337 HA3 GLY 44 HA1 GLY 44 10.936 -8.602 7.579 338 H SER 45 HN SER 45 12.490 -6.631 8.083 339 HA SER 45 HA SER 45 12.424 -6.238 11.007 340 HG SER 45 HG SER 45 15.400 -7.783 8.833 341 HB2 SER 45 HB2 SER 45 14.972 -6.289 10.782 342 HB3 SER 45 HB1 SER 45 14.133 -7.826 10.570 343 H THR 46 HN THR 46 11.865 -4.615 8.360 344 HA THR 46 HA THR 46 13.637 -2.349 8.854 345 HB THR 46 HB THR 46 12.577 -1.454 6.735 346 HG1 THR 46 HG1 THR 46 10.702 -2.839 6.855 347 HG21 THR 46 HG21 THR 46 13.863 -2.947 5.265 348 HG22 THR 46 HG22 THR 46 14.002 -4.114 6.579 349 HG23 THR 46 HG23 THR 46 14.770 -2.533 6.719 350 H ASP 47 HN ASP 47 12.977 -0.530 9.772 351 HA ASP 47 HA ASP 47 10.295 -0.271 10.794 352 HB2 ASP 47 HB2 ASP 47 12.260 0.514 12.073 353 HB3 ASP 47 HB1 ASP 47 12.620 1.676 10.803 354 H GLU 48 HN GLU 48 12.190 0.931 8.149 355 HA GLU 48 HA GLU 48 9.794 2.204 7.046 356 HB2 GLU 48 HB2 GLU 48 11.245 4.010 6.119 357 HB3 GLU 48 HB1 GLU 48 11.120 4.032 7.872 358 HG2 GLU 48 HG2 GLU 48 13.294 2.990 8.072 359 HG3 GLU 48 HG1 GLU 48 13.416 2.865 6.319 360 H LYS 49 HN LYS 49 9.334 1.496 5.080 361 HA LYS 49 HA LYS 49 11.524 0.415 3.432 362 HB2 LYS 49 HB2 LYS 49 8.831 -0.660 4.013 363 HB3 LYS 49 HB1 LYS 49 9.336 -0.742 2.331 364 HG2 LYS 49 HG2 LYS 49 10.842 -1.879 4.679 365 HG3 LYS 49 HG1 LYS 49 9.868 -2.794 3.524 366 HD2 LYS 49 HD2 LYS 49 11.356 -2.041 1.711 367 HD3 LYS 49 HD1 LYS 49 12.344 -1.185 2.894 368 HE2 LYS 49 HE2 LYS 49 13.409 -3.269 2.416 369 HE3 LYS 49 HE1 LYS 49 12.732 -3.363 4.041 370 HZ1 LYS 49 HZ1 LYS 49 12.283 -5.386 2.851 371 HZ2 LYS 49 HZ2 LYS 49 11.563 -4.537 1.570 372 HZ3 LYS 49 HZ3 LYS 49 10.821 -4.562 3.091 373 H ILE 50 HN ILE 50 11.992 1.867 1.947 374 HA ILE 50 HA ILE 50 9.869 3.525 0.822 375 HB ILE 50 HB ILE 50 12.031 4.569 1.482 376 HG12 ILE 50 HG12 ILE 50 11.480 4.706 -1.491 377 HG13 ILE 50 HG11 ILE 50 10.589 5.592 -0.256 378 HG21 ILE 50 HG21 ILE 50 13.168 2.955 -0.797 379 HG22 ILE 50 HG22 ILE 50 13.517 2.729 0.918 380 HG23 ILE 50 HG23 ILE 50 14.020 4.210 0.105 381 HD11 ILE 50 HD11 ILE 50 12.195 7.035 -1.324 382 HD12 ILE 50 HD12 ILE 50 13.501 5.913 -0.948 383 HD13 ILE 50 HD13 ILE 50 12.667 6.761 0.352 384 H CYS 51 HN CYS 51 9.541 3.647 -1.475 385 HA CYS 51 HA CYS 51 10.122 1.166 -2.893 386 HB2 CYS 51 HB2 CYS 51 7.811 2.023 -2.967 387 HB3 CYS 51 HB1 CYS 51 8.383 3.547 -3.627 388 HA PRO 52 HA PRO 52 13.856 3.428 -4.133 389 HB2 PRO 52 HB2 PRO 52 14.665 1.380 -5.853 390 HB3 PRO 52 HB1 PRO 52 15.111 1.533 -4.153 391 HG2 PRO 52 HG2 PRO 52 12.975 -0.128 -5.410 392 HG3 PRO 52 HG1 PRO 52 14.039 -0.513 -4.043 393 HD2 PRO 52 HD2 PRO 52 11.486 0.166 -3.655 394 HD3 PRO 52 HD1 PRO 52 12.757 0.724 -2.545 395 H TYR 53 HN TYR 53 11.775 1.677 -6.369 396 HA TYR 53 HA TYR 53 12.272 3.665 -8.444 397 HD1 TYR 53 HD1 TYR 53 12.820 3.296 -10.661 398 HD2 TYR 53 HD2 TYR 53 9.212 1.052 -10.416 399 HE1 TYR 53 HE1 TYR 53 12.333 3.839 -13.011 400 HE2 TYR 53 HE2 TYR 53 8.712 1.595 -12.766 401 HH TYR 53 HH TYR 53 10.991 2.871 -14.886 402 HB2 TYR 53 HB2 TYR 53 12.259 1.184 -8.937 403 HB3 TYR 53 HB1 TYR 53 10.543 1.182 -8.563 404 H CYS 54 HN CYS 54 11.265 5.251 -6.950 405 HA CYS 54 HA CYS 54 8.839 6.218 -7.741 406 HB2 CYS 54 HB2 CYS 54 8.500 4.135 -5.669 407 HB3 CYS 54 HB1 CYS 54 7.647 5.643 -5.376 408 H SER 55 HN SER 55 10.456 5.597 -4.621 409 HA SER 55 HA SER 55 10.698 6.836 -2.754 410 HG SER 55 HG SER 55 12.335 8.743 -5.045 411 HB2 SER 55 HB2 SER 55 10.333 9.198 -4.618 412 HB3 SER 55 HB1 SER 55 10.757 9.334 -2.911 413 H THR 56 HN THR 56 9.089 6.425 -1.396 414 HA THR 56 HA THR 56 6.607 7.772 -1.353 415 HB THR 56 HB THR 56 6.264 4.831 -1.859 416 HG1 THR 56 HG1 THR 56 6.641 6.812 -3.872 417 HG21 THR 56 HG21 THR 56 4.381 6.169 -1.071 418 HG22 THR 56 HG22 THR 56 4.083 5.571 -2.706 419 HG23 THR 56 HG23 THR 56 4.560 7.251 -2.453 420 H LEU 57 HN LEU 57 8.780 7.376 0.279 421 HA LEU 57 HA LEU 57 9.383 5.108 1.563 422 HG LEU 57 HG LEU 57 11.103 5.408 3.250 423 HB2 LEU 57 HB2 LEU 57 10.391 7.432 1.794 424 HB3 LEU 57 HB1 LEU 57 9.198 7.726 3.040 425 HD11 LEU 57 HD11 LEU 57 12.606 6.841 4.528 426 HD12 LEU 57 HD12 LEU 57 11.587 8.236 4.177 427 HD13 LEU 57 HD13 LEU 57 12.444 7.420 2.870 428 HD21 LEU 57 HD21 LEU 57 9.215 5.444 4.798 429 HD22 LEU 57 HD22 LEU 57 9.642 7.081 5.297 430 HD23 LEU 57 HD23 LEU 57 10.728 5.741 5.653 431 H TYR 58 HN TYR 58 7.946 3.653 2.214 432 HA TYR 58 HA TYR 58 5.629 4.411 3.785 433 HD1 TYR 58 HD2 TYR 58 3.432 3.186 2.018 434 HD2 TYR 58 HD1 TYR 58 7.306 1.896 0.815 435 HE1 TYR 58 HE2 TYR 58 2.752 3.355 -0.341 436 HE2 TYR 58 HE1 TYR 58 6.635 2.057 -1.545 437 HH TYR 58 HH TYR 58 3.727 3.592 -2.527 438 HB2 TYR 58 HB2 TYR 58 6.570 1.620 3.093 439 HB3 TYR 58 HB1 TYR 58 4.960 2.107 3.600 440 H ARG 59 HN ARG 59 6.130 4.901 5.875 441 HA ARG 59 HA ARG 59 8.082 3.157 7.211 442 HE ARG 59 HE ARG 59 10.166 5.013 11.282 443 HB2 ARG 59 HB2 ARG 59 8.573 5.588 7.228 444 HB3 ARG 59 HB1 ARG 59 7.083 5.856 8.124 445 HG2 ARG 59 HG2 ARG 59 7.914 4.603 9.996 446 HG3 ARG 59 HG1 ARG 59 9.354 4.135 9.093 447 HD2 ARG 59 HD2 ARG 59 10.055 6.465 8.984 448 HD3 ARG 59 HD1 ARG 59 8.598 6.952 9.848 449 HH11 ARG 59 HH11 ARG 59 9.869 8.417 10.518 450 HH12 ARG 59 HH12 ARG 59 10.565 8.948 12.014 451 HH21 ARG 59 HH21 ARG 59 11.116 5.721 13.255 452 HH22 ARG 59 HH22 ARG 59 11.275 7.429 13.567 453 H TYR 60 HN TYR 60 7.483 1.796 8.720 454 HA TYR 60 HA TYR 60 4.707 1.780 9.602 455 HD1 TYR 60 HD2 TYR 60 3.239 -0.264 10.204 456 HD2 TYR 60 HD1 TYR 60 6.991 -1.347 11.892 457 HE1 TYR 60 HE2 TYR 60 2.076 -1.455 12.018 458 HE2 TYR 60 HE1 TYR 60 5.841 -2.539 13.705 459 HH TYR 60 HH TYR 60 3.599 -2.428 14.840 460 HB2 TYR 60 HB2 TYR 60 5.545 -0.357 8.875 461 HB3 TYR 60 HB1 TYR 60 6.969 -0.209 9.897 462 H ASP 61 HN ASP 61 4.531 3.389 11.069 463 HA ASP 61 HA ASP 61 6.495 3.597 13.222 464 HB2 ASP 61 HB2 ASP 61 5.691 5.627 11.964 465 HB3 ASP 61 HB1 ASP 61 4.100 5.361 12.667 466 HA PRO 62 HA PRO 62 4.016 1.227 16.016 467 HB2 PRO 62 HB2 PRO 62 4.903 2.369 18.364 468 HB3 PRO 62 HB1 PRO 62 5.750 1.097 17.478 469 HG2 PRO 62 HG2 PRO 62 6.222 4.046 17.482 470 HG3 PRO 62 HG1 PRO 62 7.399 2.720 17.465 471 HD2 PRO 62 HD2 PRO 62 6.797 4.107 15.245 472 HD3 PRO 62 HD1 PRO 62 7.162 2.370 15.191 473 H SER 63 HN SER 63 3.890 4.702 15.913 474 HA SER 63 HA SER 63 1.630 4.857 17.722 475 HG SER 63 HG SER 63 0.869 6.992 17.958 476 HB2 SER 63 HB2 SER 63 3.317 6.681 17.595 477 HB3 SER 63 HB1 SER 63 2.821 6.995 15.935 478 H LEU 64 HN LEU 64 2.141 4.140 14.465 479 HA LEU 64 HA LEU 64 -0.481 5.052 13.587 480 HG LEU 64 HG LEU 64 2.350 5.793 12.594 481 HB2 LEU 64 HB2 LEU 64 1.633 3.450 12.138 482 HB3 LEU 64 HB1 LEU 64 0.161 4.077 11.418 483 HD11 LEU 64 HD11 LEU 64 3.122 4.595 10.612 484 HD12 LEU 64 HD12 LEU 64 2.933 6.317 10.294 485 HD13 LEU 64 HD13 LEU 64 1.719 5.173 9.712 486 HD21 LEU 64 HD21 LEU 64 0.130 6.818 12.651 487 HD22 LEU 64 HD22 LEU 64 -0.057 6.510 10.924 488 HD23 LEU 64 HD23 LEU 64 1.188 7.623 11.491 489 H SER 65 HN SER 65 -1.714 3.245 12.238 490 HA SER 65 HA SER 65 -1.628 0.674 13.581 491 HG SER 65 HG SER 65 -1.900 2.140 15.384 492 HB2 SER 65 HB2 SER 65 -4.050 2.483 13.791 493 HB3 SER 65 HB1 SER 65 -3.966 0.813 14.352 494 H TYR 66 HN TYR 66 -4.000 -0.387 12.838 495 HA TYR 66 HA TYR 66 -3.695 -0.645 9.975 496 HD1 TYR 66 HD2 TYR 66 -3.110 -3.465 9.672 497 HD2 TYR 66 HD1 TYR 66 -7.264 -2.565 9.864 498 HE1 TYR 66 HE2 TYR 66 -3.514 -4.944 7.751 499 HE2 TYR 66 HE1 TYR 66 -7.679 -4.048 7.944 500 HH TYR 66 HH TYR 66 -6.485 -5.016 6.053 501 HB2 TYR 66 HB2 TYR 66 -4.154 -2.506 11.716 502 HB3 TYR 66 HB1 TYR 66 -5.819 -1.949 11.670 503 H ASN 67 HN ASN 67 -5.993 0.666 12.278 504 HA ASN 67 HA ASN 67 -7.962 1.332 10.274 505 HB2 ASN 67 HB2 ASN 67 -8.594 0.753 12.599 506 HB3 ASN 67 HB1 ASN 67 -7.761 2.192 13.172 507 HD21 ASN 67 HD21 ASN 67 -10.562 0.959 11.518 508 HD22 ASN 67 HD22 ASN 67 -11.475 2.430 11.563 509 H GLN 68 HN GLN 68 -5.356 2.990 11.956 510 HA GLN 68 HA GLN 68 -6.022 5.446 10.469 511 HB2 GLN 68 HB2 GLN 68 -6.026 5.748 12.908 512 HB3 GLN 68 HB1 GLN 68 -4.371 5.159 12.990 513 HG2 GLN 68 HG2 GLN 68 -3.643 7.056 11.609 514 HG3 GLN 68 HG1 GLN 68 -5.300 7.653 11.583 515 HE21 GLN 68 HE21 GLN 68 -5.745 6.840 14.380 516 HE22 GLN 68 HE22 GLN 68 -4.927 8.023 15.344 517 H THR 69 HN THR 69 -4.712 6.000 8.863 518 HA THR 69 HA THR 69 -2.042 4.769 8.787 519 HB THR 69 HB THR 69 -3.396 3.698 7.131 520 HG1 THR 69 HG1 THR 69 -1.198 4.855 6.535 521 HG21 THR 69 HG21 THR 69 -4.439 5.046 5.254 522 HG22 THR 69 HG22 THR 69 -4.206 6.473 6.270 523 HG23 THR 69 HG23 THR 69 -5.234 5.153 6.825 524 H ASN 70 HN ASN 70 -2.405 6.700 6.130 525 HA ASN 70 HA ASN 70 -0.908 8.872 7.395 526 HB2 ASN 70 HB2 ASN 70 -0.264 9.438 5.052 527 HB3 ASN 70 HB1 ASN 70 0.195 7.801 5.509 528 HD21 ASN 70 HD21 ASN 70 -0.838 6.059 4.564 529 HD22 ASN 70 HD22 ASN 70 -1.819 6.218 3.149 530 HA PRO 71 HA PRO 71 -4.013 11.973 6.903 531 HB2 PRO 71 HB2 PRO 71 -2.677 13.956 5.530 532 HB3 PRO 71 HB1 PRO 71 -2.536 13.671 7.268 533 HG2 PRO 71 HG2 PRO 71 -0.727 12.803 5.050 534 HG3 PRO 71 HG1 PRO 71 -0.310 13.427 6.658 535 HD2 PRO 71 HD2 PRO 71 -0.195 10.803 6.097 536 HD3 PRO 71 HD1 PRO 71 -0.716 11.387 7.690 537 H THR 72 HN THR 72 -5.266 13.239 5.343 538 HA THR 72 HA THR 72 -6.478 13.437 3.431 539 HB THR 72 HB THR 72 -4.252 11.982 1.985 540 HG1 THR 72 HG1 THR 72 -3.385 13.820 2.953 541 HG21 THR 72 HG21 THR 72 -6.400 13.874 1.009 542 HG22 THR 72 HG22 THR 72 -6.338 12.135 0.719 543 HG23 THR 72 HG23 THR 72 -5.109 13.188 0.021 544 H GLY 73 HN GLY 73 -4.833 10.284 2.986 545 HA2 GLY 73 HA2 GLY 73 -6.286 8.373 3.878 546 HA3 GLY 73 HA1 GLY 73 -7.513 9.066 2.830 547 H CYS 74 HN CYS 74 -4.056 8.194 2.509 548 HA CYS 74 HA CYS 74 -4.479 7.256 -0.170 549 HG CYS 74 HG CYS 74 -2.063 6.621 -1.748 550 HB2 CYS 74 HB2 CYS 74 -2.314 8.211 0.471 551 HB3 CYS 74 HB1 CYS 74 -2.086 6.931 1.659 552 H LEU 75 HN LEU 75 -6.126 5.757 0.144 553 HA LEU 75 HA LEU 75 -5.137 3.084 0.650 554 HG LEU 75 HG LEU 75 -7.534 5.489 1.920 555 HB2 LEU 75 HB2 LEU 75 -7.134 2.550 2.082 556 HB3 LEU 75 HB1 LEU 75 -5.924 3.569 2.837 557 HD11 LEU 75 HD11 LEU 75 -9.380 3.160 2.402 558 HD12 LEU 75 HD12 LEU 75 -9.120 3.992 0.869 559 HD13 LEU 75 HD13 LEU 75 -9.873 4.843 2.218 560 HD21 LEU 75 HD21 LEU 75 -8.526 5.568 4.143 561 HD22 LEU 75 HD22 LEU 75 -6.804 5.194 4.220 562 HD23 LEU 75 HD23 LEU 75 -7.995 3.914 4.445 563 H TYR 76 HN TYR 76 -6.390 1.482 -0.422 564 HA TYR 76 HA TYR 76 -7.788 2.603 -2.701 565 HD1 TYR 76 HD1 TYR 76 -7.027 2.121 -4.987 566 HD2 TYR 76 HD2 TYR 76 -8.394 -1.645 -3.555 567 HE1 TYR 76 HE1 TYR 76 -7.914 1.599 -7.222 568 HE2 TYR 76 HE2 TYR 76 -9.288 -2.174 -5.782 569 HH TYR 76 HH TYR 76 -9.991 -1.087 -7.796 570 HB2 TYR 76 HB2 TYR 76 -6.027 0.810 -2.878 571 HB3 TYR 76 HB1 TYR 76 -7.173 -0.297 -2.138 572 H ASN 77 HN ASN 77 -9.755 3.262 -1.943 573 HA ASN 77 HA ASN 77 -11.656 1.092 -1.436 574 HB2 ASN 77 HB2 ASN 77 -11.193 2.107 0.744 575 HB3 ASN 77 HB1 ASN 77 -11.557 3.702 0.097 576 HD21 ASN 77 HD21 ASN 77 -13.156 3.997 1.646 577 HD22 ASN 77 HD22 ASN 77 -14.693 3.219 1.533 578 HA PRO 78 HA PRO 78 -13.218 3.476 -4.878 579 HB2 PRO 78 HB2 PRO 78 -14.684 1.549 -5.993 580 HB3 PRO 78 HB1 PRO 78 -12.918 1.480 -6.005 581 HG2 PRO 78 HG2 PRO 78 -14.860 0.036 -4.247 582 HG3 PRO 78 HG1 PRO 78 -13.366 -0.561 -4.994 583 HD2 PRO 78 HD2 PRO 78 -13.605 0.302 -2.366 584 HD3 PRO 78 HD1 PRO 78 -12.081 0.199 -3.269 585 H LYS 79 HN LYS 79 -14.827 2.862 -2.100 586 HA LYS 79 HA LYS 79 -17.298 4.016 -3.191 587 HB2 LYS 79 HB2 LYS 79 -18.663 2.672 -1.684 588 HB3 LYS 79 HB1 LYS 79 -17.723 1.641 -2.748 589 HG2 LYS 79 HG2 LYS 79 -16.171 1.151 -0.960 590 HG3 LYS 79 HG1 LYS 79 -17.020 2.262 0.115 591 HD2 LYS 79 HD2 LYS 79 -19.031 0.879 -0.041 592 HD3 LYS 79 HD1 LYS 79 -18.195 -0.220 -1.139 593 HE2 LYS 79 HE2 LYS 79 -18.200 -1.169 1.075 594 HE3 LYS 79 HE1 LYS 79 -16.556 -0.700 0.648 595 HZ1 LYS 79 HZ1 LYS 79 -17.061 -0.064 2.912 596 HZ2 LYS 79 HZ2 LYS 79 -18.407 0.831 2.404 597 HZ3 LYS 79 HZ3 LYS 79 -16.856 1.325 1.965 598 H LEU 80 HN LEU 80 -18.399 5.448 -1.863 599 HA LEU 80 HA LEU 80 -17.022 6.210 0.622 600 HG LEU 80 HG LEU 80 -16.217 7.703 -1.971 601 HB2 LEU 80 HB2 LEU 80 -18.551 7.936 -1.326 602 HB3 LEU 80 HB1 LEU 80 -18.081 8.471 0.275 603 HD11 LEU 80 HD11 LEU 80 -15.571 10.052 -1.907 604 HD12 LEU 80 HD12 LEU 80 -16.769 10.357 -0.652 605 HD13 LEU 80 HD13 LEU 80 -17.288 9.874 -2.268 606 HD21 LEU 80 HD21 LEU 80 -15.590 8.641 0.827 607 HD22 LEU 80 HD22 LEU 80 -14.418 8.407 -0.470 608 HD23 LEU 80 HD23 LEU 80 -15.298 7.026 0.184 609 H GLU 81 HN GLU 81 -18.179 6.118 2.435 610 HA GLU 81 HA GLU 81 -20.661 4.716 2.333 611 HB2 GLU 81 HB2 GLU 81 -19.629 5.995 4.839 612 HB3 GLU 81 HB1 GLU 81 -20.460 4.462 4.639 613 HG2 GLU 81 HG2 GLU 81 -17.605 5.073 3.913 614 HG3 GLU 81 HG1 GLU 81 -18.167 4.097 5.267 615 H HIS 82 HN HIS 82 -22.628 5.597 2.139 616 HA HIS 82 HA HIS 82 -23.137 8.377 2.560 617 HD1 HIS 82 HD1 HIS 82 -25.419 5.781 -0.376 618 HD2 HIS 82 HD2 HIS 82 -23.928 9.542 0.583 619 HE1 HIS 82 HE1 HIS 82 -25.146 6.979 -2.566 620 HE2 HIS 82 HE2 HIS 82 -24.503 9.328 -1.933 621 HB2 HIS 82 HB2 HIS 82 -24.916 6.004 2.049 622 HB3 HIS 82 HB1 HIS 82 -25.599 7.566 2.487 623 H HIS 83 HN HIS 83 -22.323 8.689 4.619 624 HA HIS 83 HA HIS 83 -24.120 8.314 6.789 625 HD1 HIS 83 HD1 HIS 83 -21.196 5.440 9.073 626 HD2 HIS 83 HD2 HIS 83 -24.719 7.655 9.027 627 HE1 HIS 83 HE1 HIS 83 -22.052 5.408 11.440 628 HE2 HIS 83 HE2 HIS 83 -24.259 6.623 11.357 629 HB2 HIS 83 HB2 HIS 83 -23.105 6.018 6.552 630 HB3 HIS 83 HB1 HIS 83 -21.540 6.732 6.912 631 H HIS 84 HN HIS 84 -21.084 9.299 5.433 632 HA HIS 84 HA HIS 84 -20.157 10.775 7.685 633 HD1 HIS 84 HD1 HIS 84 -17.621 8.886 4.747 634 HD2 HIS 84 HD2 HIS 84 -17.638 10.980 8.343 635 HE1 HIS 84 HE1 HIS 84 -15.770 7.887 6.127 636 HE2 HIS 84 HE2 HIS 84 -15.907 9.060 8.358 637 HB2 HIS 84 HB2 HIS 84 -19.392 10.623 4.807 638 HB3 HIS 84 HB1 HIS 84 -18.866 12.027 5.729 639 H HIS 85 HN HIS 85 -22.031 11.767 8.319 640 HA HIS 85 HA HIS 85 -22.381 14.452 7.868 641 HD1 HIS 85 HD1 HIS 85 -24.168 15.743 4.534 642 HD2 HIS 85 HD2 HIS 85 -25.841 15.010 8.278 643 HE1 HIS 85 HE1 HIS 85 -25.756 17.648 4.959 644 HE2 HIS 85 HE2 HIS 85 -26.683 17.240 7.267 645 HB2 HIS 85 HB2 HIS 85 -23.212 13.722 5.578 646 HB3 HIS 85 HB1 HIS 85 -24.506 12.853 6.387 647 H HIS 86 HN HIS 86 -24.203 11.502 8.111 648 HA HIS 86 HA HIS 86 -24.604 11.008 10.666 649 HD1 HIS 86 HD1 HIS 86 -27.219 11.594 13.058 650 HD2 HIS 86 HD2 HIS 86 -24.025 14.066 12.077 651 HE1 HIS 86 HE1 HIS 86 -26.167 12.240 15.244 652 HE2 HIS 86 HE2 HIS 86 -24.084 13.508 14.601 653 HB2 HIS 86 HB2 HIS 86 -26.062 13.467 10.118 654 HB3 HIS 86 HB1 HIS 86 -27.165 12.184 10.614 655 H HIS 87 HN HIS 87 -26.274 11.631 7.701 656 HA HIS 87 HA HIS 87 -26.671 8.836 7.262 657 HD1 HIS 87 HD1 HIS 87 -28.924 6.887 7.361 658 HD2 HIS 87 HD2 HIS 87 -30.355 10.054 5.071 659 HE1 HIS 87 HE1 HIS 87 -30.298 5.841 5.533 660 HE2 HIS 87 HE2 HIS 87 -30.987 7.764 4.050 661 HB2 HIS 87 HB2 HIS 87 -28.740 9.294 8.485 662 HB3 HIS 87 HB1 HIS 87 -29.079 10.667 7.436 Start of MODEL 13 1 HA MET 1 HA MET 1 -15.303 -13.532 -2.927 2 H1 MET 1 HT1 MET 1 -13.941 -12.601 -5.383 3 H2 MET 1 HT2 MET 1 -15.618 -12.534 -5.142 4 H3 MET 1 HT3 MET 1 -14.829 -14.036 -5.172 5 HB2 MET 1 HB2 MET 1 -12.407 -13.012 -3.622 6 HB3 MET 1 HB1 MET 1 -12.980 -13.263 -1.982 7 HG2 MET 1 HG2 MET 1 -13.754 -15.495 -2.593 8 HG3 MET 1 HG1 MET 1 -13.171 -15.244 -4.239 9 HE1 MET 1 HE1 MET 1 -12.341 -17.743 -2.386 10 HE2 MET 1 HE2 MET 1 -10.616 -17.846 -2.742 11 HE3 MET 1 HE3 MET 1 -11.766 -17.524 -4.040 12 H ALA 2 HN ALA 2 -16.555 -11.796 -2.422 13 HA ALA 2 HA ALA 2 -15.388 -9.133 -2.382 14 HB1 ALA 2 HB1 ALA 2 -18.093 -10.080 -1.431 15 HB2 ALA 2 HB2 ALA 2 -17.741 -9.392 -3.016 16 HB3 ALA 2 HB3 ALA 2 -17.571 -8.400 -1.569 17 H ASP 3 HN ASP 3 -13.679 -9.662 -0.960 18 HA ASP 3 HA ASP 3 -14.493 -9.857 1.860 19 HB2 ASP 3 HB2 ASP 3 -12.198 -11.300 0.510 20 HB3 ASP 3 HB1 ASP 3 -12.421 -11.215 2.253 21 H TYR 4 HN TYR 4 -12.713 -9.135 3.344 22 HA TYR 4 HA TYR 4 -11.654 -6.634 2.319 23 HD1 TYR 4 HD1 TYR 4 -12.545 -4.430 3.827 24 HD2 TYR 4 HD2 TYR 4 -9.504 -6.598 5.861 25 HE1 TYR 4 HE1 TYR 4 -11.440 -2.315 4.412 26 HE2 TYR 4 HE2 TYR 4 -8.385 -4.488 6.454 27 HH TYR 4 HH TYR 4 -9.879 -1.477 6.167 28 HB2 TYR 4 HB2 TYR 4 -12.857 -6.806 4.535 29 HB3 TYR 4 HB1 TYR 4 -11.476 -7.715 5.139 30 H ASN 5 HN ASN 5 -9.868 -6.946 1.163 31 HA ASN 5 HA ASN 5 -7.810 -8.804 2.000 32 HB2 ASN 5 HB2 ASN 5 -8.506 -8.278 -0.430 33 HB3 ASN 5 HB1 ASN 5 -7.604 -6.781 -0.235 34 HD21 ASN 5 HD21 ASN 5 -7.396 -10.244 -0.424 35 HD22 ASN 5 HD22 ASN 5 -5.693 -10.335 -0.723 36 H ILE 6 HN ILE 6 -5.436 -7.580 1.604 37 HA ILE 6 HA ILE 6 -5.226 -5.901 3.901 38 HB ILE 6 HB ILE 6 -2.833 -5.667 3.287 39 HG12 ILE 6 HG12 ILE 6 -3.557 -7.454 0.952 40 HG13 ILE 6 HG11 ILE 6 -3.123 -5.752 0.828 41 HG21 ILE 6 HG21 ILE 6 -2.237 -8.011 3.641 42 HG22 ILE 6 HG22 ILE 6 -3.887 -8.490 3.240 43 HG23 ILE 6 HG23 ILE 6 -3.577 -7.515 4.677 44 HD11 ILE 6 HD11 ILE 6 -0.901 -6.284 1.742 45 HD12 ILE 6 HD12 ILE 6 -1.245 -7.132 0.234 46 HD13 ILE 6 HD13 ILE 6 -1.349 -7.990 1.772 47 HA PRO 7 HA PRO 7 -6.130 -1.917 2.382 48 HB2 PRO 7 HB2 PRO 7 -3.640 -1.079 3.800 49 HB3 PRO 7 HB1 PRO 7 -5.273 -0.411 3.902 50 HG2 PRO 7 HG2 PRO 7 -4.353 -1.965 5.844 51 HG3 PRO 7 HG1 PRO 7 -6.030 -2.122 5.284 52 HD2 PRO 7 HD2 PRO 7 -3.672 -3.871 4.726 53 HD3 PRO 7 HD1 PRO 7 -5.372 -4.315 4.984 54 H HIS 8 HN HIS 8 -5.826 -1.765 0.251 55 HA HIS 8 HA HIS 8 -3.116 -1.359 -0.783 56 HD1 HIS 8 HD1 HIS 8 -4.803 -4.412 -0.697 57 HD2 HIS 8 HD2 HIS 8 -2.640 -3.152 -4.023 58 HE1 HIS 8 HE1 HIS 8 -3.451 -6.403 -1.423 59 HE2 HIS 8 HE2 HIS 8 -2.275 -5.672 -3.532 60 HB2 HIS 8 HB2 HIS 8 -5.710 -2.177 -2.043 61 HB3 HIS 8 HB1 HIS 8 -4.474 -1.415 -3.034 62 H PHE 9 HN PHE 9 -2.463 0.661 -0.938 63 HA PHE 9 HA PHE 9 -4.476 2.775 -1.145 64 HD1 PHE 9 HD1 PHE 9 -5.026 3.453 0.995 65 HD2 PHE 9 HD2 PHE 9 -1.057 2.109 1.728 66 HE1 PHE 9 HE1 PHE 9 -5.670 2.817 3.282 67 HE2 PHE 9 HE2 PHE 9 -1.694 1.469 4.017 68 HZ PHE 9 HZ PHE 9 -4.002 1.823 4.796 69 HB2 PHE 9 HB2 PHE 9 -1.566 2.968 -0.335 70 HB3 PHE 9 HB1 PHE 9 -2.740 4.282 -0.298 71 H GLN 10 HN GLN 10 -3.309 4.822 -2.283 72 HA GLN 10 HA GLN 10 -2.351 3.852 -4.877 73 HB2 GLN 10 HB2 GLN 10 -3.989 5.436 -5.961 74 HB3 GLN 10 HB1 GLN 10 -4.704 4.027 -5.195 75 HG2 GLN 10 HG2 GLN 10 -6.125 5.683 -4.499 76 HG3 GLN 10 HG1 GLN 10 -4.996 5.624 -3.150 77 HE21 GLN 10 HE21 GLN 10 -4.220 7.069 -6.247 78 HE22 GLN 10 HE22 GLN 10 -4.176 8.707 -5.675 79 H ASN 11 HN ASN 11 -1.042 5.290 -6.021 80 HA ASN 11 HA ASN 11 -0.775 7.965 -4.866 81 HB2 ASN 11 HB2 ASN 11 1.646 7.960 -5.230 82 HB3 ASN 11 HB1 ASN 11 1.177 6.676 -4.128 83 HD21 ASN 11 HD21 ASN 11 2.678 7.472 -7.097 84 HD22 ASN 11 HD22 ASN 11 3.116 5.873 -7.565 85 H ASP 12 HN ASP 12 -2.056 8.861 -6.382 86 HA ASP 12 HA ASP 12 -1.386 8.580 -9.195 87 HB2 ASP 12 HB2 ASP 12 -3.327 10.027 -9.601 88 HB3 ASP 12 HB1 ASP 12 -3.757 8.677 -8.558 89 H LEU 13 HN LEU 13 -1.240 10.963 -6.627 90 HA LEU 13 HA LEU 13 0.052 12.892 -8.380 91 HG LEU 13 HG LEU 13 -1.665 12.015 -5.280 92 HB2 LEU 13 HB2 LEU 13 0.041 14.300 -6.252 93 HB3 LEU 13 HB1 LEU 13 -1.505 13.924 -6.985 94 HD11 LEU 13 HD11 LEU 13 0.497 13.641 -3.951 95 HD12 LEU 13 HD12 LEU 13 0.662 11.995 -4.562 96 HD13 LEU 13 HD13 LEU 13 -0.417 12.329 -3.208 97 HD21 LEU 13 HD21 LEU 13 -3.017 14.034 -5.178 98 HD22 LEU 13 HD22 LEU 13 -1.717 14.875 -4.332 99 HD23 LEU 13 HD23 LEU 13 -2.536 13.516 -3.562 100 H GLY 14 HN GLY 14 1.062 10.266 -6.752 101 HA2 GLY 14 HA2 GLY 14 3.153 9.487 -6.216 102 HA3 GLY 14 HA1 GLY 14 3.803 10.938 -6.960 103 H TYR 15 HN TYR 15 2.390 9.676 -3.962 104 HA TYR 15 HA TYR 15 3.395 11.943 -2.455 105 HD1 TYR 15 HD1 TYR 15 3.416 10.537 0.887 106 HD2 TYR 15 HD2 TYR 15 0.449 12.592 -1.356 107 HE1 TYR 15 HE1 TYR 15 3.108 12.114 2.752 108 HE2 TYR 15 HE2 TYR 15 0.128 14.171 0.496 109 HH TYR 15 HH TYR 15 0.468 14.304 2.887 110 HB2 TYR 15 HB2 TYR 15 1.212 10.453 -2.067 111 HB3 TYR 15 HB1 TYR 15 2.342 9.514 -1.099 112 H LYS 16 HN LYS 16 5.331 11.997 -1.508 113 HA LYS 16 HA LYS 16 7.158 9.967 -2.318 114 HB2 LYS 16 HB2 LYS 16 7.685 12.360 -2.408 115 HB3 LYS 16 HB1 LYS 16 7.644 12.431 -0.653 116 HG2 LYS 16 HG2 LYS 16 9.569 11.056 -0.471 117 HG3 LYS 16 HG1 LYS 16 9.534 10.676 -2.193 118 HD2 LYS 16 HD2 LYS 16 9.826 13.495 -1.207 119 HD3 LYS 16 HD1 LYS 16 11.219 12.430 -1.375 120 HE2 LYS 16 HE2 LYS 16 10.995 13.788 -3.354 121 HE3 LYS 16 HE1 LYS 16 10.656 12.108 -3.751 122 HZ1 LYS 16 HZ1 LYS 16 8.521 14.088 -3.176 123 HZ2 LYS 16 HZ2 LYS 16 8.354 12.558 -3.895 124 HZ3 LYS 16 HZ3 LYS 16 9.122 13.811 -4.734 125 H ILE 17 HN ILE 17 5.764 10.795 0.810 126 HA ILE 17 HA ILE 17 7.190 8.468 1.898 127 HB ILE 17 HB ILE 17 6.774 11.026 3.459 128 HG12 ILE 17 HG12 ILE 17 9.333 9.877 2.313 129 HG13 ILE 17 HG11 ILE 17 8.495 11.292 1.690 130 HG21 ILE 17 HG21 ILE 17 6.729 9.022 4.829 131 HG22 ILE 17 HG22 ILE 17 8.219 9.920 5.120 132 HG23 ILE 17 HG23 ILE 17 8.243 8.473 4.112 133 HD11 ILE 17 HD11 ILE 17 9.724 11.036 4.421 134 HD12 ILE 17 HD12 ILE 17 8.901 12.461 3.788 135 HD13 ILE 17 HD13 ILE 17 10.407 11.911 3.052 136 H ILE 18 HN ILE 18 5.660 7.019 2.315 137 HA ILE 18 HA ILE 18 3.090 8.007 3.402 138 HB ILE 18 HB ILE 18 3.664 5.368 2.047 139 HG12 ILE 18 HG12 ILE 18 3.667 7.396 0.559 140 HG13 ILE 18 HG11 ILE 18 2.415 6.221 0.176 141 HG21 ILE 18 HG21 ILE 18 1.937 5.124 3.710 142 HG22 ILE 18 HG22 ILE 18 1.201 5.100 2.109 143 HG23 ILE 18 HG23 ILE 18 1.100 6.553 3.105 144 HD11 ILE 18 HD11 ILE 18 1.445 8.372 0.032 145 HD12 ILE 18 HD12 ILE 18 2.100 8.847 1.597 146 HD13 ILE 18 HD13 ILE 18 0.827 7.628 1.505 147 H GLU 19 HN GLU 19 2.753 7.704 5.508 148 HA GLU 19 HA GLU 19 4.039 5.525 6.944 149 HB2 GLU 19 HB2 GLU 19 2.293 7.831 7.786 150 HB3 GLU 19 HB1 GLU 19 2.607 6.493 8.878 151 HG2 GLU 19 HG2 GLU 19 4.098 8.258 9.403 152 HG3 GLU 19 HG1 GLU 19 5.030 6.959 8.667 153 H ILE 20 HN ILE 20 3.014 3.679 7.605 154 HA ILE 20 HA ILE 20 0.110 3.467 7.307 155 HB ILE 20 HB ILE 20 0.382 1.232 6.162 156 HG12 ILE 20 HG12 ILE 20 3.147 2.319 5.598 157 HG13 ILE 20 HG11 ILE 20 2.772 0.909 6.582 158 HG21 ILE 20 HG21 ILE 20 1.197 3.692 4.631 159 HG22 ILE 20 HG22 ILE 20 -0.451 3.186 4.990 160 HG23 ILE 20 HG23 ILE 20 0.558 2.211 3.922 161 HD11 ILE 20 HD11 ILE 20 3.555 0.280 4.364 162 HD12 ILE 20 HD12 ILE 20 2.226 1.181 3.635 163 HD13 ILE 20 HD13 ILE 20 1.891 -0.237 4.628 164 H GLY 21 HN GLY 21 -0.731 1.426 8.255 165 HA2 GLY 21 HA2 GLY 21 0.934 0.605 10.545 166 HA3 GLY 21 HA1 GLY 21 -0.821 0.523 10.483 167 H VAL 22 HN VAL 22 0.654 -0.486 7.610 168 HA VAL 22 HA VAL 22 0.337 -3.314 8.386 169 HB VAL 22 HB VAL 22 -0.249 -2.132 5.661 170 HG11 VAL 22 HG11 VAL 22 0.427 -4.464 5.572 171 HG12 VAL 22 HG12 VAL 22 -1.288 -4.306 5.200 172 HG13 VAL 22 HG13 VAL 22 -0.779 -4.880 6.788 173 HG21 VAL 22 HG21 VAL 22 -1.871 -1.331 7.298 174 HG22 VAL 22 HG22 VAL 22 -2.190 -2.991 7.805 175 HG23 VAL 22 HG23 VAL 22 -2.613 -2.471 6.174 176 H LYS 23 HN LYS 23 1.879 -4.764 7.555 177 HA LYS 23 HA LYS 23 4.365 -3.468 6.754 178 HB2 LYS 23 HB2 LYS 23 3.864 -6.332 7.576 179 HB3 LYS 23 HB1 LYS 23 5.438 -5.597 7.309 180 HG2 LYS 23 HG2 LYS 23 4.965 -4.028 9.167 181 HG3 LYS 23 HG1 LYS 23 3.467 -4.910 9.474 182 HD2 LYS 23 HD2 LYS 23 4.813 -6.975 9.792 183 HD3 LYS 23 HD1 LYS 23 6.275 -6.002 9.620 184 HE2 LYS 23 HE2 LYS 23 5.833 -6.327 11.958 185 HE3 LYS 23 HE1 LYS 23 5.530 -4.638 11.555 186 HZ1 LYS 23 HZ1 LYS 23 3.175 -5.074 11.511 187 HZ2 LYS 23 HZ2 LYS 23 3.813 -5.595 12.994 188 HZ3 LYS 23 HZ3 LYS 23 3.430 -6.729 11.788 189 H GLU 24 HN GLU 24 1.898 -5.518 5.455 190 HA GLU 24 HA GLU 24 3.538 -6.128 3.108 191 HB2 GLU 24 HB2 GLU 24 0.740 -7.107 3.710 192 HB3 GLU 24 HB1 GLU 24 1.822 -7.702 2.463 193 HG2 GLU 24 HG2 GLU 24 2.015 -9.333 4.049 194 HG3 GLU 24 HG1 GLU 24 3.369 -8.285 4.470 195 H PHE 25 HN PHE 25 3.456 -4.704 1.490 196 HA PHE 25 HA PHE 25 0.839 -3.620 0.747 197 HD1 PHE 25 HD1 PHE 25 -0.221 -1.117 1.505 198 HD2 PHE 25 HD2 PHE 25 3.128 -0.705 -1.085 199 HE1 PHE 25 HE1 PHE 25 -1.441 0.568 0.199 200 HE2 PHE 25 HE2 PHE 25 1.912 0.985 -2.392 201 HZ PHE 25 HZ PHE 25 -0.375 1.622 -1.750 202 HB2 PHE 25 HB2 PHE 25 2.031 -1.919 2.133 203 HB3 PHE 25 HB1 PHE 25 3.329 -1.913 0.944 204 H MET 26 HN MET 26 0.559 -3.265 -1.432 205 HA MET 26 HA MET 26 2.862 -3.815 -3.172 206 HB2 MET 26 HB2 MET 26 1.002 -5.656 -2.987 207 HB3 MET 26 HB1 MET 26 0.072 -4.563 -4.001 208 HG2 MET 26 HG2 MET 26 2.781 -5.669 -4.698 209 HG3 MET 26 HG1 MET 26 1.247 -6.326 -5.261 210 HE1 MET 26 HE1 MET 26 3.805 -5.322 -7.054 211 HE2 MET 26 HE2 MET 26 2.933 -4.616 -8.414 212 HE3 MET 26 HE3 MET 26 2.390 -6.142 -7.711 213 H CYS 27 HN CYS 27 3.321 -2.083 -4.331 214 HA CYS 27 HA CYS 27 1.483 0.132 -4.402 215 HB2 CYS 27 HB2 CYS 27 3.786 0.636 -3.990 216 HB3 CYS 27 HB1 CYS 27 4.298 -0.245 -5.424 217 H VAL 28 HN VAL 28 -0.129 0.035 -5.820 218 HA VAL 28 HA VAL 28 0.171 -1.203 -8.406 219 HB VAL 28 HB VAL 28 -2.170 -0.534 -8.783 220 HG11 VAL 28 HG11 VAL 28 -1.709 -2.627 -7.632 221 HG12 VAL 28 HG12 VAL 28 -3.177 -1.883 -6.997 222 HG13 VAL 28 HG13 VAL 28 -1.672 -1.785 -6.083 223 HG21 VAL 28 HG21 VAL 28 -1.959 0.766 -6.067 224 HG22 VAL 28 HG22 VAL 28 -3.448 0.546 -6.986 225 HG23 VAL 28 HG23 VAL 28 -2.176 1.597 -7.608 226 H GLY 29 HN GLY 29 0.258 2.022 -7.087 227 HA2 GLY 29 HA2 GLY 29 0.990 3.982 -8.047 228 HA3 GLY 29 HA1 GLY 29 1.330 3.084 -9.518 229 H ALA 30 HN ALA 30 -0.018 3.286 -11.205 230 HA ALA 30 HA ALA 30 -2.763 4.042 -10.902 231 HB1 ALA 30 HB1 ALA 30 -2.657 6.159 -12.083 232 HB2 ALA 30 HB2 ALA 30 -0.901 6.034 -12.193 233 HB3 ALA 30 HB3 ALA 30 -1.674 6.229 -10.620 234 H THR 31 HN THR 31 -0.476 4.758 -13.530 235 HA THR 31 HA THR 31 -2.148 3.148 -15.310 236 HB THR 31 HB THR 31 -0.822 4.341 -17.116 237 HG1 THR 31 HG1 THR 31 0.649 5.774 -16.542 238 HG21 THR 31 HG21 THR 31 -2.079 6.438 -16.866 239 HG22 THR 31 HG22 THR 31 -2.426 6.026 -15.186 240 HG23 THR 31 HG23 THR 31 -3.079 5.035 -16.491 241 H GLN 32 HN GLN 32 0.193 2.321 -13.437 242 HA GLN 32 HA GLN 32 1.916 0.865 -13.374 243 HB2 GLN 32 HB2 GLN 32 0.894 -0.079 -16.057 244 HB3 GLN 32 HB1 GLN 32 1.959 -0.966 -14.974 245 HG2 GLN 32 HG2 GLN 32 0.153 -0.998 -13.290 246 HG3 GLN 32 HG1 GLN 32 -0.909 -0.214 -14.458 247 HE21 GLN 32 HE21 GLN 32 0.350 -1.745 -16.671 248 HE22 GLN 32 HE22 GLN 32 -0.339 -3.324 -16.572 249 HA PRO 33 HA PRO 33 4.632 3.602 -15.817 250 HB2 PRO 33 HB2 PRO 33 6.639 3.631 -13.982 251 HB3 PRO 33 HB1 PRO 33 5.216 4.674 -13.872 252 HG2 PRO 33 HG2 PRO 33 5.788 2.096 -12.461 253 HG3 PRO 33 HG1 PRO 33 5.078 3.589 -11.820 254 HD2 PRO 33 HD2 PRO 33 3.580 1.439 -12.501 255 HD3 PRO 33 HD1 PRO 33 2.987 3.104 -12.657 256 H PHE 34 HN PHE 34 4.974 0.407 -14.681 257 HA PHE 34 HA PHE 34 7.085 -0.103 -16.651 258 HD1 PHE 34 HD1 PHE 34 9.916 -0.372 -15.897 259 HD2 PHE 34 HD2 PHE 34 7.434 0.865 -12.672 260 HE1 PHE 34 HE1 PHE 34 11.581 1.326 -15.270 261 HE2 PHE 34 HE2 PHE 34 9.095 2.565 -12.037 262 HZ PHE 34 HZ PHE 34 11.175 2.795 -13.336 263 HB2 PHE 34 HB2 PHE 34 7.008 -1.178 -13.816 264 HB3 PHE 34 HB1 PHE 34 8.087 -1.777 -15.071 265 H ASP 35 HN ASP 35 7.251 -2.772 -16.581 266 HA ASP 35 HA ASP 35 4.685 -3.766 -17.329 267 HB2 ASP 35 HB2 ASP 35 7.285 -5.195 -16.724 268 HB3 ASP 35 HB1 ASP 35 5.834 -6.011 -17.296 269 H HIS 36 HN HIS 36 3.233 -4.942 -16.162 270 HA HIS 36 HA HIS 36 2.046 -5.580 -14.330 271 HD1 HIS 36 HD1 HIS 36 6.120 -7.459 -13.940 272 HD2 HIS 36 HD2 HIS 36 2.061 -8.375 -14.073 273 HE1 HIS 36 HE1 HIS 36 5.971 -9.763 -14.945 274 HE2 HIS 36 HE2 HIS 36 3.501 -10.210 -15.187 275 HB2 HIS 36 HB2 HIS 36 4.739 -5.679 -12.935 276 HB3 HIS 36 HB1 HIS 36 3.228 -6.260 -12.245 277 HA PRO 37 HA PRO 37 0.684 -2.054 -12.040 278 HB2 PRO 37 HB2 PRO 37 1.430 -2.934 -9.401 279 HB3 PRO 37 HB1 PRO 37 -0.180 -2.825 -10.110 280 HG2 PRO 37 HG2 PRO 37 1.581 -5.154 -9.827 281 HG3 PRO 37 HG1 PRO 37 -0.166 -5.092 -10.104 282 HD2 PRO 37 HD2 PRO 37 1.581 -5.903 -11.998 283 HD3 PRO 37 HD1 PRO 37 0.074 -5.048 -12.395 284 H HIS 38 HN HIS 38 3.337 -3.127 -9.988 285 HA HIS 38 HA HIS 38 5.259 -1.386 -11.045 286 HD2 HIS 38 HD2 HIS 38 6.925 0.198 -11.120 287 HE1 HIS 38 HE1 HIS 38 7.763 2.719 -7.818 288 HE2 HIS 38 HE2 HIS 38 8.590 1.835 -10.014 289 HB2 HIS 38 HB2 HIS 38 3.799 0.330 -9.929 290 HB3 HIS 38 HB1 HIS 38 4.195 -0.417 -8.383 291 H ILE 39 HN ILE 39 5.011 -1.660 -7.572 292 HA ILE 39 HA ILE 39 6.954 -3.830 -7.501 293 HB ILE 39 HB ILE 39 7.583 -1.048 -6.462 294 HG12 ILE 39 HG12 ILE 39 7.964 -1.380 -8.907 295 HG13 ILE 39 HG11 ILE 39 9.437 -1.028 -8.009 296 HG21 ILE 39 HG21 ILE 39 9.130 -3.613 -6.146 297 HG22 ILE 39 HG22 ILE 39 8.380 -2.657 -4.866 298 HG23 ILE 39 HG23 ILE 39 9.754 -2.008 -5.765 299 HD11 ILE 39 HD11 ILE 39 8.545 -3.756 -8.917 300 HD12 ILE 39 HD12 ILE 39 10.038 -3.383 -8.054 301 HD13 ILE 39 HD13 ILE 39 9.782 -2.761 -9.684 302 H PHE 40 HN PHE 40 6.802 -4.965 -5.590 303 HA PHE 40 HA PHE 40 4.774 -4.042 -3.701 304 HD1 PHE 40 HD2 PHE 40 6.548 -6.962 -6.028 305 HD2 PHE 40 HD1 PHE 40 6.414 -7.501 -1.807 306 HE1 PHE 40 HE2 PHE 40 8.401 -8.575 -6.177 307 HE2 PHE 40 HE1 PHE 40 8.264 -9.116 -1.950 308 HZ PHE 40 HZ PHE 40 9.259 -9.655 -4.137 309 HB2 PHE 40 HB2 PHE 40 4.695 -6.331 -2.887 310 HB3 PHE 40 HB1 PHE 40 4.545 -6.328 -4.638 311 H ILE 41 HN ILE 41 5.170 -3.837 -1.500 312 HA ILE 41 HA ILE 41 8.018 -3.803 -0.742 313 HB ILE 41 HB ILE 41 5.868 -1.794 -0.069 314 HG12 ILE 41 HG12 ILE 41 7.793 -0.223 -0.738 315 HG13 ILE 41 HG11 ILE 41 8.575 -1.658 -1.387 316 HG21 ILE 41 HG21 ILE 41 8.544 -2.116 1.282 317 HG22 ILE 41 HG22 ILE 41 6.961 -2.375 2.017 318 HG23 ILE 41 HG23 ILE 41 7.440 -0.757 1.502 319 HD11 ILE 41 HD11 ILE 41 7.439 -0.429 -3.128 320 HD12 ILE 41 HD12 ILE 41 5.916 -0.544 -2.245 321 HD13 ILE 41 HD13 ILE 41 6.676 -2.001 -2.885 322 H ASP 42 HN ASP 42 8.419 -5.283 0.721 323 HA ASP 42 HA ASP 42 6.353 -5.929 2.715 324 HB2 ASP 42 HB2 ASP 42 7.349 -8.117 2.918 325 HB3 ASP 42 HB1 ASP 42 7.071 -7.801 1.209 326 H MET 43 HN MET 43 6.796 -5.503 4.802 327 HA MET 43 HA MET 43 9.386 -4.328 5.426 328 HB2 MET 43 HB2 MET 43 6.894 -4.620 7.113 329 HB3 MET 43 HB1 MET 43 8.352 -3.775 7.611 330 HG2 MET 43 HG2 MET 43 8.062 -2.167 5.823 331 HG3 MET 43 HG1 MET 43 6.634 -3.034 5.256 332 HE1 MET 43 HE1 MET 43 5.252 -0.751 5.343 333 HE2 MET 43 HE2 MET 43 6.683 0.099 5.927 334 HE3 MET 43 HE3 MET 43 5.147 0.269 6.778 335 H GLY 44 HN GLY 44 10.783 -6.073 5.420 336 HA2 GLY 44 HA2 GLY 44 10.203 -8.217 7.351 337 HA3 GLY 44 HA1 GLY 44 11.344 -8.331 6.018 338 H SER 45 HN SER 45 13.197 -6.731 6.152 339 HA SER 45 HA SER 45 14.385 -7.085 8.777 340 HG SER 45 HG SER 45 15.683 -6.861 5.095 341 HB2 SER 45 HB2 SER 45 16.468 -6.307 7.537 342 HB3 SER 45 HB1 SER 45 15.747 -7.812 6.962 343 H THR 46 HN THR 46 12.624 -4.707 7.298 344 HA THR 46 HA THR 46 13.843 -2.641 8.974 345 HB THR 46 HB THR 46 14.725 -2.319 6.695 346 HG1 THR 46 HG1 THR 46 13.644 -0.108 6.432 347 HG21 THR 46 HG21 THR 46 11.829 -1.974 5.904 348 HG22 THR 46 HG22 THR 46 12.886 -3.301 5.419 349 HG23 THR 46 HG23 THR 46 13.223 -1.660 4.869 350 H ASP 47 HN ASP 47 12.433 -0.984 9.625 351 HA ASP 47 HA ASP 47 9.595 -1.702 9.496 352 HB2 ASP 47 HB2 ASP 47 9.341 -0.114 11.385 353 HB3 ASP 47 HB1 ASP 47 10.492 -1.400 11.737 354 H GLU 48 HN GLU 48 11.671 0.125 7.806 355 HA GLU 48 HA GLU 48 9.477 1.648 6.687 356 HB2 GLU 48 HB2 GLU 48 10.881 3.735 6.562 357 HB3 GLU 48 HB1 GLU 48 10.304 3.319 8.169 358 HG2 GLU 48 HG2 GLU 48 12.467 2.464 8.777 359 HG3 GLU 48 HG1 GLU 48 13.063 2.711 7.135 360 H LYS 49 HN LYS 49 9.495 1.351 4.581 361 HA LYS 49 HA LYS 49 12.040 0.727 3.243 362 HB2 LYS 49 HB2 LYS 49 10.629 -1.314 3.974 363 HB3 LYS 49 HB1 LYS 49 9.517 -0.829 2.703 364 HG2 LYS 49 HG2 LYS 49 11.163 -1.196 1.018 365 HG3 LYS 49 HG1 LYS 49 12.430 -1.429 2.229 366 HD2 LYS 49 HD2 LYS 49 11.155 -3.394 3.084 367 HD3 LYS 49 HD1 LYS 49 10.035 -3.197 1.738 368 HE2 LYS 49 HE2 LYS 49 11.751 -3.665 0.149 369 HE3 LYS 49 HE1 LYS 49 12.996 -3.618 1.400 370 HZ1 LYS 49 HZ1 LYS 49 12.474 -5.890 0.863 371 HZ2 LYS 49 HZ2 LYS 49 10.823 -5.639 1.151 372 HZ3 LYS 49 HZ3 LYS 49 11.927 -5.560 2.431 373 H ILE 50 HN ILE 50 12.190 1.486 1.155 374 HA ILE 50 HA ILE 50 10.098 3.364 0.406 375 HB ILE 50 HB ILE 50 12.514 4.069 0.513 376 HG12 ILE 50 HG12 ILE 50 11.152 4.372 -2.174 377 HG13 ILE 50 HG11 ILE 50 10.802 5.335 -0.742 378 HG21 ILE 50 HG21 ILE 50 13.509 2.060 -0.448 379 HG22 ILE 50 HG22 ILE 50 13.971 3.498 -1.360 380 HG23 ILE 50 HG23 ILE 50 12.736 2.410 -1.996 381 HD11 ILE 50 HD11 ILE 50 13.410 5.266 -2.239 382 HD12 ILE 50 HD12 ILE 50 13.083 6.215 -0.789 383 HD13 ILE 50 HD13 ILE 50 12.207 6.556 -2.282 384 H CYS 51 HN CYS 51 9.289 3.494 -1.744 385 HA CYS 51 HA CYS 51 9.128 0.923 -3.109 386 HB2 CYS 51 HB2 CYS 51 7.028 2.135 -2.673 387 HB3 CYS 51 HB1 CYS 51 7.631 3.522 -3.573 388 HA PRO 52 HA PRO 52 12.619 2.354 -5.575 389 HB2 PRO 52 HB2 PRO 52 11.778 -0.036 -7.139 390 HB3 PRO 52 HB1 PRO 52 13.380 0.411 -6.541 391 HG2 PRO 52 HG2 PRO 52 11.970 -1.509 -5.352 392 HG3 PRO 52 HG1 PRO 52 12.948 -0.373 -4.404 393 HD2 PRO 52 HD2 PRO 52 9.993 -0.462 -4.793 394 HD3 PRO 52 HD1 PRO 52 10.930 -0.008 -3.358 395 H TYR 53 HN TYR 53 12.643 3.747 -7.194 396 HA TYR 53 HA TYR 53 11.964 5.071 -8.915 397 HD1 TYR 53 HD1 TYR 53 13.460 4.623 -11.264 398 HD2 TYR 53 HD2 TYR 53 12.398 0.876 -9.529 399 HE1 TYR 53 HE1 TYR 53 15.703 3.761 -11.774 400 HE2 TYR 53 HE2 TYR 53 14.647 0.008 -10.040 401 HH TYR 53 HH TYR 53 17.227 1.952 -10.867 402 HB2 TYR 53 HB2 TYR 53 10.730 2.505 -9.946 403 HB3 TYR 53 HB1 TYR 53 11.073 3.942 -10.902 404 H CYS 54 HN CYS 54 10.474 5.801 -7.008 405 HA CYS 54 HA CYS 54 7.846 6.245 -7.995 406 HB2 CYS 54 HB2 CYS 54 8.033 3.769 -6.999 407 HB3 CYS 54 HB1 CYS 54 7.753 4.631 -5.494 408 H SER 55 HN SER 55 9.770 5.928 -5.022 409 HA SER 55 HA SER 55 9.968 7.196 -3.160 410 HG SER 55 HG SER 55 10.819 9.467 -5.731 411 HB2 SER 55 HB2 SER 55 8.896 9.429 -4.910 412 HB3 SER 55 HB1 SER 55 9.678 9.639 -3.341 413 H THR 56 HN THR 56 8.577 6.353 -1.732 414 HA THR 56 HA THR 56 5.979 7.361 -1.253 415 HB THR 56 HB THR 56 5.905 4.472 -2.102 416 HG1 THR 56 HG1 THR 56 5.910 6.712 -3.839 417 HG21 THR 56 HG21 THR 56 3.856 6.691 -2.138 418 HG22 THR 56 HG22 THR 56 3.995 5.423 -0.920 419 HG23 THR 56 HG23 THR 56 3.557 5.010 -2.577 420 H LEU 57 HN LEU 57 8.340 7.054 0.162 421 HA LEU 57 HA LEU 57 9.049 4.591 1.174 422 HG LEU 57 HG LEU 57 11.181 4.757 2.286 423 HB2 LEU 57 HB2 LEU 57 10.209 6.907 1.312 424 HB3 LEU 57 HB1 LEU 57 9.330 7.080 2.816 425 HD11 LEU 57 HD11 LEU 57 12.436 6.848 2.077 426 HD12 LEU 57 HD12 LEU 57 12.883 5.969 3.539 427 HD13 LEU 57 HD13 LEU 57 11.821 7.374 3.643 428 HD21 LEU 57 HD21 LEU 57 10.104 5.958 4.837 429 HD22 LEU 57 HD22 LEU 57 11.217 4.595 4.726 430 HD23 LEU 57 HD23 LEU 57 9.574 4.446 4.101 431 H TYR 58 HN TYR 58 7.982 3.192 2.313 432 HA TYR 58 HA TYR 58 5.624 4.017 3.778 433 HD1 TYR 58 HD2 TYR 58 3.475 2.804 2.367 434 HD2 TYR 58 HD1 TYR 58 7.187 1.287 0.948 435 HE1 TYR 58 HE2 TYR 58 2.649 2.958 0.056 436 HE2 TYR 58 HE1 TYR 58 6.372 1.439 -1.364 437 HH TYR 58 HH TYR 58 3.475 3.103 -2.181 438 HB2 TYR 58 HB2 TYR 58 6.704 1.236 3.266 439 HB3 TYR 58 HB1 TYR 58 5.100 1.639 3.875 440 H ARG 59 HN ARG 59 5.854 4.658 5.761 441 HA ARG 59 HA ARG 59 7.965 3.527 7.457 442 HE ARG 59 HE ARG 59 7.449 8.352 8.194 443 HB2 ARG 59 HB2 ARG 59 7.768 6.006 7.186 444 HB3 ARG 59 HB1 ARG 59 6.179 5.923 7.932 445 HG2 ARG 59 HG2 ARG 59 7.297 4.922 9.945 446 HG3 ARG 59 HG1 ARG 59 8.839 5.322 9.188 447 HD2 ARG 59 HD2 ARG 59 6.663 7.204 10.064 448 HD3 ARG 59 HD1 ARG 59 8.306 7.085 10.688 449 HH11 ARG 59 HH11 ARG 59 10.120 7.287 10.217 450 HH12 ARG 59 HH12 ARG 59 11.250 8.419 9.538 451 HH21 ARG 59 HH21 ARG 59 8.929 9.875 7.346 452 HH22 ARG 59 HH22 ARG 59 10.571 9.903 7.927 453 H TYR 60 HN TYR 60 7.449 2.078 9.008 454 HA TYR 60 HA TYR 60 4.615 1.695 9.627 455 HD1 TYR 60 HD1 TYR 60 3.315 -0.375 9.782 456 HD2 TYR 60 HD2 TYR 60 6.672 -1.252 12.240 457 HE1 TYR 60 HE1 TYR 60 1.862 -1.650 11.294 458 HE2 TYR 60 HE2 TYR 60 5.227 -2.543 13.761 459 HH TYR 60 HH TYR 60 2.066 -3.475 12.937 460 HB2 TYR 60 HB2 TYR 60 5.848 -0.311 8.975 461 HB3 TYR 60 HB1 TYR 60 6.997 -0.049 10.286 462 H ASP 61 HN ASP 61 3.743 2.133 11.508 463 HA ASP 61 HA ASP 61 5.422 2.456 13.878 464 HB2 ASP 61 HB2 ASP 61 5.159 4.729 13.152 465 HB3 ASP 61 HB1 ASP 61 3.450 4.493 12.821 466 HA PRO 62 HA PRO 62 2.231 -0.337 15.288 467 HB2 PRO 62 HB2 PRO 62 2.886 -0.135 17.965 468 HB3 PRO 62 HB1 PRO 62 3.663 -1.228 16.816 469 HG2 PRO 62 HG2 PRO 62 4.565 1.439 17.807 470 HG3 PRO 62 HG1 PRO 62 5.517 -0.024 17.495 471 HD2 PRO 62 HD2 PRO 62 5.507 2.038 15.782 472 HD3 PRO 62 HD1 PRO 62 5.586 0.359 15.210 473 H SER 63 HN SER 63 2.608 2.966 16.206 474 HA SER 63 HA SER 63 0.199 3.065 17.796 475 HG SER 63 HG SER 63 3.223 4.493 18.130 476 HB2 SER 63 HB2 SER 63 1.892 5.313 16.684 477 HB3 SER 63 HB1 SER 63 0.632 5.474 17.906 478 H LEU 64 HN LEU 64 0.844 2.937 14.509 479 HA LEU 64 HA LEU 64 -1.513 4.468 13.722 480 HG LEU 64 HG LEU 64 1.231 5.223 12.931 481 HB2 LEU 64 HB2 LEU 64 0.558 2.941 12.147 482 HB3 LEU 64 HB1 LEU 64 -0.859 3.663 11.411 483 HD11 LEU 64 HD11 LEU 64 2.011 5.976 10.742 484 HD12 LEU 64 HD12 LEU 64 0.865 4.892 9.953 485 HD13 LEU 64 HD13 LEU 64 2.188 4.229 10.912 486 HD21 LEU 64 HD21 LEU 64 -0.980 6.257 12.891 487 HD22 LEU 64 HD22 LEU 64 -1.036 6.090 11.137 488 HD23 LEU 64 HD23 LEU 64 0.155 7.155 11.884 489 H SER 65 HN SER 65 -3.450 3.567 13.364 490 HA SER 65 HA SER 65 -3.782 0.773 13.983 491 HG SER 65 HG SER 65 -6.048 0.304 14.468 492 HB2 SER 65 HB2 SER 65 -5.363 2.522 14.791 493 HB3 SER 65 HB1 SER 65 -5.858 2.806 13.124 494 H TYR 66 HN TYR 66 -5.049 -0.681 12.604 495 HA TYR 66 HA TYR 66 -4.034 -0.824 9.965 496 HD1 TYR 66 HD1 TYR 66 -3.335 -3.734 9.717 497 HD2 TYR 66 HD2 TYR 66 -5.316 -2.740 13.347 498 HE1 TYR 66 HE1 TYR 66 -1.726 -5.114 10.966 499 HE2 TYR 66 HE2 TYR 66 -3.715 -4.115 14.606 500 HH TYR 66 HH TYR 66 -2.194 -5.926 14.287 501 HB2 TYR 66 HB2 TYR 66 -6.361 -2.304 11.212 502 HB3 TYR 66 HB1 TYR 66 -5.567 -2.741 9.703 503 H ASN 67 HN ASN 67 -6.688 0.805 11.326 504 HA ASN 67 HA ASN 67 -8.170 1.025 8.828 505 HB2 ASN 67 HB2 ASN 67 -8.653 2.085 11.616 506 HB3 ASN 67 HB1 ASN 67 -9.667 2.513 10.245 507 HD21 ASN 67 HD21 ASN 67 -10.191 1.038 12.752 508 HD22 ASN 67 HD22 ASN 67 -10.921 -0.454 12.248 509 H GLN 68 HN GLN 68 -5.422 2.327 9.775 510 HA GLN 68 HA GLN 68 -6.069 5.020 8.784 511 HB2 GLN 68 HB2 GLN 68 -4.283 4.313 11.114 512 HB3 GLN 68 HB1 GLN 68 -4.400 5.916 10.403 513 HG2 GLN 68 HG2 GLN 68 -6.655 6.153 11.107 514 HG3 GLN 68 HG1 GLN 68 -6.748 4.456 11.583 515 HE21 GLN 68 HE21 GLN 68 -7.212 6.904 13.139 516 HE22 GLN 68 HE22 GLN 68 -6.132 6.798 14.490 517 H THR 69 HN THR 69 -4.645 5.900 7.391 518 HA THR 69 HA THR 69 -2.052 4.563 7.051 519 HB THR 69 HB THR 69 -3.386 4.333 5.017 520 HG1 THR 69 HG1 THR 69 -0.978 5.227 5.106 521 HG21 THR 69 HG21 THR 69 -4.873 6.255 5.236 522 HG22 THR 69 HG22 THR 69 -4.066 6.268 3.664 523 HG23 THR 69 HG23 THR 69 -3.520 7.349 4.950 524 H ASN 70 HN ASN 70 -1.516 7.133 5.317 525 HA ASN 70 HA ASN 70 -0.691 8.757 7.619 526 HB2 ASN 70 HB2 ASN 70 0.971 9.718 6.167 527 HB3 ASN 70 HB1 ASN 70 1.016 7.976 5.949 528 HD21 ASN 70 HD21 ASN 70 1.855 10.213 4.222 529 HD22 ASN 70 HD22 ASN 70 1.043 9.944 2.718 530 HA PRO 71 HA PRO 71 -3.050 12.527 6.615 531 HB2 PRO 71 HB2 PRO 71 -0.974 13.323 4.601 532 HB3 PRO 71 HB1 PRO 71 -1.831 14.325 5.778 533 HG2 PRO 71 HG2 PRO 71 0.676 13.488 6.222 534 HG3 PRO 71 HG1 PRO 71 -0.504 13.635 7.537 535 HD2 PRO 71 HD2 PRO 71 0.628 11.207 6.293 536 HD3 PRO 71 HD1 PRO 71 -0.127 11.416 7.885 537 H THR 72 HN THR 72 -4.835 12.024 5.541 538 HA THR 72 HA THR 72 -4.983 10.048 3.647 539 HB THR 72 HB THR 72 -7.042 12.209 4.094 540 HG1 THR 72 HG1 THR 72 -6.542 11.227 6.055 541 HG21 THR 72 HG21 THR 72 -8.652 10.490 3.394 542 HG22 THR 72 HG22 THR 72 -7.325 9.372 3.076 543 HG23 THR 72 HG23 THR 72 -7.496 10.836 2.107 544 H GLY 73 HN GLY 73 -3.730 10.275 1.887 545 HA2 GLY 73 HA2 GLY 73 -4.987 11.788 -0.267 546 HA3 GLY 73 HA1 GLY 73 -3.276 12.089 0.026 547 H CYS 74 HN CYS 74 -4.332 8.976 0.792 548 HA CYS 74 HA CYS 74 -3.726 7.774 -1.751 549 HG CYS 74 HG CYS 74 -1.623 9.439 -1.764 550 HB2 CYS 74 HB2 CYS 74 -1.950 7.306 0.659 551 HB3 CYS 74 HB1 CYS 74 -1.890 6.375 -0.833 552 H LEU 75 HN LEU 75 -5.964 7.238 -1.300 553 HA LEU 75 HA LEU 75 -6.163 4.733 0.203 554 HG LEU 75 HG LEU 75 -9.051 5.688 2.343 555 HB2 LEU 75 HB2 LEU 75 -7.091 6.671 1.529 556 HB3 LEU 75 HB1 LEU 75 -8.267 6.908 0.256 557 HD11 LEU 75 HD11 LEU 75 -9.407 4.319 -0.317 558 HD12 LEU 75 HD12 LEU 75 -10.355 5.672 0.298 559 HD13 LEU 75 HD13 LEU 75 -10.440 4.103 1.097 560 HD21 LEU 75 HD21 LEU 75 -8.579 3.296 2.466 561 HD22 LEU 75 HD22 LEU 75 -7.109 4.256 2.651 562 HD23 LEU 75 HD23 LEU 75 -7.450 3.449 1.119 563 H TYR 76 HN TYR 76 -6.720 3.207 -1.241 564 HA TYR 76 HA TYR 76 -8.318 4.041 -3.564 565 HD1 TYR 76 HD2 TYR 76 -7.644 3.899 -6.099 566 HD2 TYR 76 HD1 TYR 76 -7.297 -0.061 -4.577 567 HE1 TYR 76 HE2 TYR 76 -8.574 3.015 -8.198 568 HE2 TYR 76 HE1 TYR 76 -8.222 -0.954 -6.672 569 HH TYR 76 HH TYR 76 -8.606 0.957 -9.486 570 HB2 TYR 76 HB2 TYR 76 -6.063 3.237 -4.140 571 HB3 TYR 76 HB1 TYR 76 -6.406 1.706 -3.344 572 H ASN 77 HN ASN 77 -10.345 3.709 -2.769 573 HA ASN 77 HA ASN 77 -11.103 0.881 -2.689 574 HB2 ASN 77 HB2 ASN 77 -11.131 1.732 -0.347 575 HB3 ASN 77 HB1 ASN 77 -12.281 2.973 -0.839 576 HD21 ASN 77 HD21 ASN 77 -13.836 2.190 0.613 577 HD22 ASN 77 HD22 ASN 77 -14.704 0.719 0.307 578 HA PRO 78 HA PRO 78 -13.437 2.701 -6.042 579 HB2 PRO 78 HB2 PRO 78 -14.531 0.350 -6.904 580 HB3 PRO 78 HB1 PRO 78 -12.895 0.881 -7.310 581 HG2 PRO 78 HG2 PRO 78 -13.797 -1.037 -5.195 582 HG3 PRO 78 HG1 PRO 78 -12.422 -1.164 -6.309 583 HD2 PRO 78 HD2 PRO 78 -12.109 -0.407 -3.745 584 HD3 PRO 78 HD1 PRO 78 -11.108 0.264 -5.050 585 H LYS 79 HN LYS 79 -15.060 3.877 -5.221 586 HA LYS 79 HA LYS 79 -17.336 2.608 -3.931 587 HB2 LYS 79 HB2 LYS 79 -18.155 4.929 -3.666 588 HB3 LYS 79 HB1 LYS 79 -16.540 4.714 -3.008 589 HG2 LYS 79 HG2 LYS 79 -15.594 5.732 -5.036 590 HG3 LYS 79 HG1 LYS 79 -17.228 5.982 -5.656 591 HD2 LYS 79 HD2 LYS 79 -17.739 7.404 -3.726 592 HD3 LYS 79 HD1 LYS 79 -16.106 7.152 -3.110 593 HE2 LYS 79 HE2 LYS 79 -16.826 8.478 -5.724 594 HE3 LYS 79 HE1 LYS 79 -16.326 9.308 -4.252 595 HZ1 LYS 79 HZ1 LYS 79 -14.230 7.891 -4.442 596 HZ2 LYS 79 HZ2 LYS 79 -14.407 9.183 -5.520 597 HZ3 LYS 79 HZ3 LYS 79 -14.705 7.604 -6.044 598 H LEU 80 HN LEU 80 -19.439 4.171 -4.852 599 HA LEU 80 HA LEU 80 -19.895 3.083 -7.474 600 HG LEU 80 HG LEU 80 -21.510 2.801 -4.772 601 HB2 LEU 80 HB2 LEU 80 -21.565 4.991 -5.830 602 HB3 LEU 80 HB1 LEU 80 -22.070 4.270 -7.347 603 HD11 LEU 80 HD11 LEU 80 -24.064 3.277 -6.298 604 HD12 LEU 80 HD12 LEU 80 -23.612 4.026 -4.767 605 HD13 LEU 80 HD13 LEU 80 -23.897 2.288 -4.849 606 HD21 LEU 80 HD21 LEU 80 -20.812 1.481 -6.701 607 HD22 LEU 80 HD22 LEU 80 -22.385 1.738 -7.455 608 HD23 LEU 80 HD23 LEU 80 -22.263 0.806 -5.962 609 H GLU 81 HN GLU 81 -17.911 4.208 -8.224 610 HA GLU 81 HA GLU 81 -18.369 7.001 -9.009 611 HB2 GLU 81 HB2 GLU 81 -16.231 6.185 -7.846 612 HB3 GLU 81 HB1 GLU 81 -15.844 5.386 -9.362 613 HG2 GLU 81 HG2 GLU 81 -15.816 7.514 -10.513 614 HG3 GLU 81 HG1 GLU 81 -16.290 8.345 -9.031 615 H HIS 82 HN HIS 82 -19.609 4.528 -10.139 616 HA HIS 82 HA HIS 82 -18.496 4.430 -12.843 617 HD1 HIS 82 HD1 HIS 82 -19.251 0.211 -13.000 618 HD2 HIS 82 HD2 HIS 82 -17.165 2.976 -10.693 619 HE1 HIS 82 HE1 HIS 82 -17.122 -0.945 -12.315 620 HE2 HIS 82 HE2 HIS 82 -15.785 0.815 -11.092 621 HB2 HIS 82 HB2 HIS 82 -20.468 2.698 -11.362 622 HB3 HIS 82 HB1 HIS 82 -20.232 2.560 -13.100 623 H HIS 83 HN HIS 83 -19.258 5.875 -14.218 624 HA HIS 83 HA HIS 83 -21.815 7.162 -13.790 625 HD1 HIS 83 HD1 HIS 83 -19.776 10.564 -15.853 626 HD2 HIS 83 HD2 HIS 83 -23.365 8.586 -15.141 627 HE1 HIS 83 HE1 HIS 83 -21.567 12.319 -16.031 628 HE2 HIS 83 HE2 HIS 83 -23.719 11.129 -15.470 629 HB2 HIS 83 HB2 HIS 83 -19.565 8.164 -14.722 630 HB3 HIS 83 HB1 HIS 83 -20.162 7.560 -16.261 631 H HIS 84 HN HIS 84 -21.205 4.237 -14.871 632 HA HIS 84 HA HIS 84 -22.965 4.291 -17.193 633 HD1 HIS 84 HD1 HIS 84 -21.723 1.581 -19.418 634 HD2 HIS 84 HD2 HIS 84 -19.481 4.301 -17.211 635 HE1 HIS 84 HE1 HIS 84 -19.946 2.429 -20.987 636 HE2 HIS 84 HE2 HIS 84 -18.770 4.247 -19.693 637 HB2 HIS 84 HB2 HIS 84 -21.239 2.172 -15.949 638 HB3 HIS 84 HB1 HIS 84 -22.507 1.735 -17.089 639 H HIS 85 HN HIS 85 -23.312 4.145 -13.898 640 HA HIS 85 HA HIS 85 -25.540 2.310 -13.825 641 HD1 HIS 85 HD1 HIS 85 -26.540 4.731 -10.234 642 HD2 HIS 85 HD2 HIS 85 -26.375 0.772 -11.519 643 HE1 HIS 85 HE1 HIS 85 -28.376 3.530 -8.994 644 HE2 HIS 85 HE2 HIS 85 -28.186 1.118 -9.700 645 HB2 HIS 85 HB2 HIS 85 -24.084 2.659 -11.846 646 HB3 HIS 85 HB1 HIS 85 -24.633 4.329 -11.755 647 H HIS 86 HN HIS 86 -25.043 5.788 -13.860 648 HA HIS 86 HA HIS 86 -27.820 6.148 -14.744 649 HD1 HIS 86 HD1 HIS 86 -27.045 10.036 -14.151 650 HD2 HIS 86 HD2 HIS 86 -30.215 7.769 -12.711 651 HE1 HIS 86 HE1 HIS 86 -29.070 11.509 -14.347 652 HE2 HIS 86 HE2 HIS 86 -30.936 10.185 -13.292 653 HB2 HIS 86 HB2 HIS 86 -27.685 6.777 -12.350 654 HB3 HIS 86 HB1 HIS 86 -26.375 7.890 -12.722 655 H HIS 87 HN HIS 87 -27.899 7.353 -16.590 656 HA HIS 87 HA HIS 87 -25.346 8.506 -17.463 657 HD1 HIS 87 HD1 HIS 87 -27.750 9.213 -21.202 658 HD2 HIS 87 HD2 HIS 87 -29.462 6.982 -18.136 659 HE1 HIS 87 HE1 HIS 87 -30.218 9.184 -21.678 660 HE2 HIS 87 HE2 HIS 87 -31.196 7.654 -19.936 661 HB2 HIS 87 HB2 HIS 87 -26.055 8.285 -19.710 662 HB3 HIS 87 HB1 HIS 87 -26.531 6.793 -18.916 Start of MODEL 14 1 HA MET 1 HA MET 1 -10.154 -14.686 3.539 2 H1 MET 1 HT1 MET 1 -8.220 -13.786 1.475 3 H2 MET 1 HT2 MET 1 -8.901 -12.826 2.690 4 H3 MET 1 HT3 MET 1 -9.892 -13.477 1.481 5 HB2 MET 1 HB2 MET 1 -8.669 -16.243 1.414 6 HB3 MET 1 HB1 MET 1 -9.614 -16.965 2.705 7 HG2 MET 1 HG2 MET 1 -11.633 -15.941 1.819 8 HG3 MET 1 HG1 MET 1 -10.692 -15.172 0.541 9 HE1 MET 1 HE1 MET 1 -12.361 -16.244 -1.280 10 HE2 MET 1 HE2 MET 1 -13.271 -16.994 0.034 11 HE3 MET 1 HE3 MET 1 -12.741 -17.966 -1.339 12 H ALA 2 HN ALA 2 -7.157 -16.143 2.403 13 HA ALA 2 HA ALA 2 -6.135 -16.056 5.153 14 HB1 ALA 2 HB1 ALA 2 -5.245 -17.722 2.796 15 HB2 ALA 2 HB2 ALA 2 -6.297 -18.261 4.105 16 HB3 ALA 2 HB3 ALA 2 -4.617 -17.841 4.439 17 H ASP 3 HN ASP 3 -6.108 -13.811 3.284 18 HA ASP 3 HA ASP 3 -3.210 -13.368 3.074 19 HB2 ASP 3 HB2 ASP 3 -3.706 -11.811 1.219 20 HB3 ASP 3 HB1 ASP 3 -4.248 -13.449 0.858 21 H TYR 4 HN TYR 4 -3.272 -10.639 2.626 22 HA TYR 4 HA TYR 4 -4.033 -9.753 5.320 23 HD1 TYR 4 HD2 TYR 4 -1.516 -10.129 6.706 24 HD2 TYR 4 HD1 TYR 4 -0.701 -10.054 2.527 25 HE1 TYR 4 HE2 TYR 4 0.202 -11.863 7.009 26 HE2 TYR 4 HE1 TYR 4 1.013 -11.789 2.825 27 HH TYR 4 HH TYR 4 1.293 -13.636 5.607 28 HB2 TYR 4 HB2 TYR 4 -2.079 -8.383 3.479 29 HB3 TYR 4 HB1 TYR 4 -2.230 -8.212 5.224 30 H ASN 5 HN ASN 5 -5.115 -9.531 2.217 31 HA ASN 5 HA ASN 5 -6.423 -8.133 1.012 32 HB2 ASN 5 HB2 ASN 5 -7.869 -8.064 2.978 33 HB3 ASN 5 HB1 ASN 5 -6.890 -6.780 3.680 34 HD21 ASN 5 HD21 ASN 5 -8.352 -5.193 3.758 35 HD22 ASN 5 HD22 ASN 5 -9.129 -4.498 2.373 36 H ILE 6 HN ILE 6 -5.082 -7.145 -0.365 37 HA ILE 6 HA ILE 6 -3.276 -5.062 0.544 38 HB ILE 6 HB ILE 6 -3.721 -6.044 -2.283 39 HG12 ILE 6 HG12 ILE 6 -3.064 -7.914 -0.835 40 HG13 ILE 6 HG11 ILE 6 -1.756 -7.481 -1.931 41 HG21 ILE 6 HG21 ILE 6 -1.409 -4.572 -1.024 42 HG22 ILE 6 HG22 ILE 6 -2.602 -3.884 -2.128 43 HG23 ILE 6 HG23 ILE 6 -1.489 -5.130 -2.697 44 HD11 ILE 6 HD11 ILE 6 -0.914 -7.970 0.285 45 HD12 ILE 6 HD12 ILE 6 -1.954 -6.723 0.974 46 HD13 ILE 6 HD13 ILE 6 -0.647 -6.275 -0.123 47 HA PRO 7 HA PRO 7 -6.449 -2.056 -0.494 48 HB2 PRO 7 HB2 PRO 7 -5.379 0.010 0.841 49 HB3 PRO 7 HB1 PRO 7 -6.143 -1.340 1.687 50 HG2 PRO 7 HG2 PRO 7 -3.241 -0.779 1.245 51 HG3 PRO 7 HG1 PRO 7 -4.056 -1.386 2.695 52 HD2 PRO 7 HD2 PRO 7 -2.716 -2.968 0.876 53 HD3 PRO 7 HD1 PRO 7 -3.992 -3.546 1.964 54 H HIS 8 HN HIS 8 -6.232 0.381 -1.210 55 HA HIS 8 HA HIS 8 -4.098 0.512 -3.227 56 HD1 HIS 8 HD1 HIS 8 -7.336 -1.322 -3.868 57 HD2 HIS 8 HD2 HIS 8 -4.847 0.666 -6.549 58 HE1 HIS 8 HE1 HIS 8 -7.092 -2.860 -5.846 59 HE2 HIS 8 HE2 HIS 8 -5.735 -1.560 -7.524 60 HB2 HIS 8 HB2 HIS 8 -6.993 1.258 -3.394 61 HB3 HIS 8 HB1 HIS 8 -5.814 2.093 -4.400 62 H PHE 9 HN PHE 9 -2.985 2.336 -3.484 63 HA PHE 9 HA PHE 9 -3.326 4.379 -1.403 64 HD1 PHE 9 HD1 PHE 9 -1.970 4.215 0.776 65 HD2 PHE 9 HD2 PHE 9 -0.498 1.165 -1.806 66 HE1 PHE 9 HE1 PHE 9 -1.847 2.666 2.680 67 HE2 PHE 9 HE2 PHE 9 -0.375 -0.393 0.097 68 HZ PHE 9 HZ PHE 9 -1.052 0.358 2.342 69 HB2 PHE 9 HB2 PHE 9 -0.776 3.307 -2.625 70 HB3 PHE 9 HB1 PHE 9 -0.851 4.667 -1.511 71 H GLN 10 HN GLN 10 -1.566 6.247 -2.216 72 HA GLN 10 HA GLN 10 -2.821 7.211 -4.702 73 HB2 GLN 10 HB2 GLN 10 -1.885 8.700 -2.236 74 HB3 GLN 10 HB1 GLN 10 -2.373 9.498 -3.725 75 HG2 GLN 10 HG2 GLN 10 -4.203 7.611 -2.280 76 HG3 GLN 10 HG1 GLN 10 -4.084 9.314 -1.836 77 HE21 GLN 10 HE21 GLN 10 -4.883 10.867 -3.198 78 HE22 GLN 10 HE22 GLN 10 -5.899 10.507 -4.553 79 H ASN 11 HN ASN 11 -1.367 9.049 -5.695 80 HA ASN 11 HA ASN 11 0.917 7.563 -6.541 81 HB2 ASN 11 HB2 ASN 11 -0.247 10.200 -7.368 82 HB3 ASN 11 HB1 ASN 11 1.314 9.665 -7.986 83 HD21 ASN 11 HD21 ASN 11 1.404 7.772 -9.248 84 HD22 ASN 11 HD22 ASN 11 0.008 7.188 -10.082 85 H ASP 12 HN ASP 12 3.046 8.097 -6.543 86 HA ASP 12 HA ASP 12 4.016 9.218 -4.107 87 HB2 ASP 12 HB2 ASP 12 6.238 8.642 -5.055 88 HB3 ASP 12 HB1 ASP 12 5.102 7.299 -5.118 89 H LEU 13 HN LEU 13 3.384 10.440 -7.216 90 HA LEU 13 HA LEU 13 5.250 12.524 -7.392 91 HG LEU 13 HG LEU 13 5.004 11.486 -9.658 92 HB2 LEU 13 HB2 LEU 13 2.423 12.430 -8.453 93 HB3 LEU 13 HB1 LEU 13 3.646 13.588 -8.938 94 HD11 LEU 13 HD11 LEU 13 3.553 9.814 -8.654 95 HD12 LEU 13 HD12 LEU 13 3.603 9.626 -10.406 96 HD13 LEU 13 HD13 LEU 13 2.201 10.373 -9.639 97 HD21 LEU 13 HD21 LEU 13 3.970 11.569 -11.866 98 HD22 LEU 13 HD22 LEU 13 4.141 13.183 -11.177 99 HD23 LEU 13 HD23 LEU 13 2.566 12.392 -11.182 100 H GLY 14 HN GLY 14 2.257 12.195 -5.635 101 HA2 GLY 14 HA2 GLY 14 2.440 14.997 -4.762 102 HA3 GLY 14 HA1 GLY 14 1.027 13.964 -4.593 103 H TYR 15 HN TYR 15 2.460 11.688 -3.578 104 HA TYR 15 HA TYR 15 3.206 12.723 -0.925 105 HD1 TYR 15 HD1 TYR 15 0.975 12.875 0.808 106 HD2 TYR 15 HD2 TYR 15 -0.167 10.725 -2.683 107 HE1 TYR 15 HE1 TYR 15 -1.200 14.021 0.819 108 HE2 TYR 15 HE2 TYR 15 -2.345 11.866 -2.679 109 HH TYR 15 HH TYR 15 -3.824 13.009 -1.084 110 HB2 TYR 15 HB2 TYR 15 1.799 10.111 -1.516 111 HB3 TYR 15 HB1 TYR 15 2.159 10.777 0.074 112 H LYS 16 HN LYS 16 5.354 12.525 -0.812 113 HA LYS 16 HA LYS 16 6.667 10.314 -2.198 114 HB2 LYS 16 HB2 LYS 16 7.868 12.705 -0.793 115 HB3 LYS 16 HB1 LYS 16 8.739 11.540 -1.782 116 HG2 LYS 16 HG2 LYS 16 7.247 12.214 -3.694 117 HG3 LYS 16 HG1 LYS 16 6.680 13.536 -2.673 118 HD2 LYS 16 HD2 LYS 16 8.447 14.317 -4.134 119 HD3 LYS 16 HD1 LYS 16 9.005 14.329 -2.459 120 HE2 LYS 16 HE2 LYS 16 10.203 12.257 -2.804 121 HE3 LYS 16 HE1 LYS 16 9.564 12.128 -4.444 122 HZ1 LYS 16 HZ1 LYS 16 11.806 12.972 -4.476 123 HZ2 LYS 16 HZ2 LYS 16 11.391 14.241 -3.433 124 HZ3 LYS 16 HZ3 LYS 16 10.741 14.177 -4.996 125 H ILE 17 HN ILE 17 5.439 10.853 0.812 126 HA ILE 17 HA ILE 17 7.026 8.638 1.880 127 HB ILE 17 HB ILE 17 6.375 11.144 3.454 128 HG12 ILE 17 HG12 ILE 17 9.049 9.955 2.668 129 HG13 ILE 17 HG11 ILE 17 8.324 11.400 1.970 130 HG21 ILE 17 HG21 ILE 17 6.095 9.150 4.814 131 HG22 ILE 17 HG22 ILE 17 7.530 10.041 5.322 132 HG23 ILE 17 HG23 ILE 17 7.697 8.581 4.344 133 HD11 ILE 17 HD11 ILE 17 8.474 12.530 4.110 134 HD12 ILE 17 HD12 ILE 17 10.055 11.937 3.600 135 HD13 ILE 17 HD13 ILE 17 9.149 11.076 4.844 136 H ILE 18 HN ILE 18 5.513 7.088 2.019 137 HA ILE 18 HA ILE 18 2.886 7.875 3.134 138 HB ILE 18 HB ILE 18 3.590 5.338 1.652 139 HG12 ILE 18 HG12 ILE 18 3.535 7.340 0.203 140 HG13 ILE 18 HG11 ILE 18 2.211 6.238 -0.153 141 HG21 ILE 18 HG21 ILE 18 1.863 4.917 3.278 142 HG22 ILE 18 HG22 ILE 18 1.131 4.963 1.674 143 HG23 ILE 18 HG23 ILE 18 0.969 6.346 2.759 144 HD11 ILE 18 HD11 ILE 18 2.018 8.769 1.463 145 HD12 ILE 18 HD12 ILE 18 0.690 7.660 1.124 146 HD13 ILE 18 HD13 ILE 18 1.462 8.540 -0.195 147 H GLU 19 HN GLU 19 2.435 7.372 5.157 148 HA GLU 19 HA GLU 19 4.003 5.290 6.494 149 HB2 GLU 19 HB2 GLU 19 2.134 7.334 7.714 150 HB3 GLU 19 HB1 GLU 19 3.209 6.250 8.587 151 HG2 GLU 19 HG2 GLU 19 5.129 7.354 7.495 152 HG3 GLU 19 HG1 GLU 19 4.009 8.494 6.753 153 H ILE 20 HN ILE 20 3.075 3.442 7.250 154 HA ILE 20 HA ILE 20 0.174 3.174 7.347 155 HB ILE 20 HB ILE 20 0.325 0.986 6.049 156 HG12 ILE 20 HG12 ILE 20 2.855 2.273 5.005 157 HG13 ILE 20 HG11 ILE 20 2.780 0.824 5.999 158 HG21 ILE 20 HG21 ILE 20 -0.843 2.909 5.176 159 HG22 ILE 20 HG22 ILE 20 0.020 2.081 3.878 160 HG23 ILE 20 HG23 ILE 20 0.667 3.574 4.554 161 HD11 ILE 20 HD11 ILE 20 1.560 -0.322 4.217 162 HD12 ILE 20 HD12 ILE 20 3.135 0.258 3.678 163 HD13 ILE 20 HD13 ILE 20 1.670 1.127 3.219 164 H GLY 21 HN GLY 21 -0.506 1.219 8.442 165 HA2 GLY 21 HA2 GLY 21 1.603 0.143 10.196 166 HA3 GLY 21 HA1 GLY 21 -0.114 0.184 10.575 167 H VAL 22 HN VAL 22 1.250 -0.838 7.511 168 HA VAL 22 HA VAL 22 0.435 -3.607 8.117 169 HB VAL 22 HB VAL 22 0.288 -2.317 5.384 170 HG11 VAL 22 HG11 VAL 22 -0.809 -4.919 6.443 171 HG12 VAL 22 HG12 VAL 22 0.542 -4.726 5.325 172 HG13 VAL 22 HG13 VAL 22 -1.087 -4.275 4.824 173 HG21 VAL 22 HG21 VAL 22 -1.318 -1.222 6.836 174 HG22 VAL 22 HG22 VAL 22 -1.947 -2.787 7.351 175 HG23 VAL 22 HG23 VAL 22 -2.146 -2.264 5.678 176 H LYS 23 HN LYS 23 1.773 -5.256 7.191 177 HA LYS 23 HA LYS 23 4.506 -4.342 6.765 178 HB2 LYS 23 HB2 LYS 23 3.337 -7.083 7.268 179 HB3 LYS 23 HB1 LYS 23 5.045 -6.786 6.980 180 HG2 LYS 23 HG2 LYS 23 5.253 -5.547 8.998 181 HG3 LYS 23 HG1 LYS 23 3.502 -5.519 9.227 182 HD2 LYS 23 HD2 LYS 23 3.471 -7.917 9.556 183 HD3 LYS 23 HD1 LYS 23 5.198 -8.012 9.211 184 HE2 LYS 23 HE2 LYS 23 4.114 -6.348 11.466 185 HE3 LYS 23 HE1 LYS 23 4.475 -8.063 11.662 186 HZ1 LYS 23 HZ1 LYS 23 6.746 -7.679 11.155 187 HZ2 LYS 23 HZ2 LYS 23 6.302 -6.533 12.327 188 HZ3 LYS 23 HZ3 LYS 23 6.454 -6.075 10.704 189 H GLU 24 HN GLU 24 1.955 -6.155 5.153 190 HA GLU 24 HA GLU 24 3.646 -6.337 2.755 191 HB2 GLU 24 HB2 GLU 24 1.228 -8.003 3.474 192 HB3 GLU 24 HB1 GLU 24 2.247 -8.214 2.059 193 HG2 GLU 24 HG2 GLU 24 2.963 -9.873 3.513 194 HG3 GLU 24 HG1 GLU 24 4.152 -8.591 3.726 195 H PHE 25 HN PHE 25 3.076 -5.224 1.010 196 HA PHE 25 HA PHE 25 0.327 -4.643 0.372 197 HD1 PHE 25 HD1 PHE 25 2.978 -2.926 3.045 198 HD2 PHE 25 HD2 PHE 25 2.447 -1.165 -0.789 199 HE1 PHE 25 HE1 PHE 25 5.175 -1.843 3.240 200 HE2 PHE 25 HE2 PHE 25 4.645 -0.080 -0.602 201 HZ PHE 25 HZ PHE 25 6.014 -0.420 1.415 202 HB2 PHE 25 HB2 PHE 25 0.606 -2.187 0.346 203 HB3 PHE 25 HB1 PHE 25 0.783 -2.840 1.973 204 H MET 26 HN MET 26 0.447 -2.939 -1.620 205 HA MET 26 HA MET 26 2.850 -3.512 -3.187 206 HB2 MET 26 HB2 MET 26 1.019 -5.026 -3.937 207 HB3 MET 26 HB1 MET 26 0.055 -3.607 -4.328 208 HG2 MET 26 HG2 MET 26 1.610 -2.928 -6.005 209 HG3 MET 26 HG1 MET 26 2.748 -4.187 -5.532 210 HE1 MET 26 HE1 MET 26 2.039 -3.839 -8.546 211 HE2 MET 26 HE2 MET 26 1.745 -5.515 -9.012 212 HE3 MET 26 HE3 MET 26 3.060 -5.125 -7.903 213 H CYS 27 HN CYS 27 3.657 -1.843 -4.273 214 HA CYS 27 HA CYS 27 2.654 0.770 -3.704 215 HB2 CYS 27 HB2 CYS 27 5.030 0.426 -3.791 216 HB3 CYS 27 HB1 CYS 27 4.928 -0.235 -5.417 217 H VAL 28 HN VAL 28 1.484 2.099 -4.947 218 HA VAL 28 HA VAL 28 0.182 1.074 -7.288 219 HB VAL 28 HB VAL 28 0.077 3.873 -6.133 220 HG11 VAL 28 HG11 VAL 28 -2.117 4.009 -7.215 221 HG12 VAL 28 HG12 VAL 28 -1.862 2.412 -7.920 222 HG13 VAL 28 HG13 VAL 28 -0.825 3.758 -8.390 223 HG21 VAL 28 HG21 VAL 28 -0.500 2.216 -4.445 224 HG22 VAL 28 HG22 VAL 28 -1.682 1.502 -5.543 225 HG23 VAL 28 HG23 VAL 28 -1.919 3.141 -4.938 226 H GLY 29 HN GLY 29 0.158 2.216 -9.374 227 HA2 GLY 29 HA2 GLY 29 2.647 3.697 -9.922 228 HA3 GLY 29 HA1 GLY 29 2.167 2.351 -10.945 229 H ALA 30 HN ALA 30 1.811 3.419 -12.828 230 HA ALA 30 HA ALA 30 -0.541 5.134 -12.893 231 HB1 ALA 30 HB1 ALA 30 0.529 6.846 -14.235 232 HB2 ALA 30 HB2 ALA 30 2.067 5.986 -14.142 233 HB3 ALA 30 HB3 ALA 30 1.353 6.677 -12.685 234 H THR 31 HN THR 31 1.989 4.395 -15.303 235 HA THR 31 HA THR 31 -0.097 3.684 -17.182 236 HB THR 31 HB THR 31 1.837 3.410 -18.789 237 HG1 THR 31 HG1 THR 31 3.809 4.558 -17.892 238 HG21 THR 31 HG21 THR 31 0.531 5.483 -18.637 239 HG22 THR 31 HG22 THR 31 2.222 5.809 -19.010 240 HG23 THR 31 HG23 THR 31 1.615 6.071 -17.376 241 H GLN 32 HN GLN 32 3.017 2.057 -17.086 242 HA GLN 32 HA GLN 32 1.934 -0.412 -16.109 243 HB2 GLN 32 HB2 GLN 32 2.412 -1.688 -18.222 244 HB3 GLN 32 HB1 GLN 32 1.012 -0.628 -18.292 245 HG2 GLN 32 HG2 GLN 32 2.310 1.025 -19.522 246 HG3 GLN 32 HG1 GLN 32 3.738 -0.004 -19.416 247 HE21 GLN 32 HE21 GLN 32 2.168 -2.438 -19.797 248 HE22 GLN 32 HE22 GLN 32 1.762 -2.489 -21.476 249 HA PRO 33 HA PRO 33 6.511 -0.080 -15.520 250 HB2 PRO 33 HB2 PRO 33 5.782 -0.953 -12.809 251 HB3 PRO 33 HB1 PRO 33 6.769 0.422 -13.312 252 HG2 PRO 33 HG2 PRO 33 4.319 0.764 -12.265 253 HG3 PRO 33 HG1 PRO 33 4.942 1.821 -13.546 254 HD2 PRO 33 HD2 PRO 33 3.042 -0.492 -13.757 255 HD3 PRO 33 HD1 PRO 33 2.960 1.107 -14.533 256 H PHE 34 HN PHE 34 4.437 -2.376 -13.750 257 HA PHE 34 HA PHE 34 5.811 -4.573 -15.148 258 HD1 PHE 34 HD1 PHE 34 7.676 -6.316 -13.548 259 HD2 PHE 34 HD2 PHE 34 6.276 -2.822 -11.555 260 HE1 PHE 34 HE1 PHE 34 9.967 -5.828 -12.796 261 HE2 PHE 34 HE2 PHE 34 8.563 -2.329 -10.801 262 HZ PHE 34 HZ PHE 34 10.414 -3.833 -11.420 263 HB2 PHE 34 HB2 PHE 34 4.738 -4.523 -12.317 264 HB3 PHE 34 HB1 PHE 34 5.313 -5.975 -13.131 265 H ASP 35 HN ASP 35 2.959 -2.927 -14.626 266 HA ASP 35 HA ASP 35 1.427 -4.504 -16.370 267 HB2 ASP 35 HB2 ASP 35 1.262 -6.052 -14.449 268 HB3 ASP 35 HB1 ASP 35 0.630 -4.745 -13.453 269 H HIS 36 HN HIS 36 0.590 -2.828 -13.380 270 HA HIS 36 HA HIS 36 -0.078 -0.396 -14.808 271 HD1 HIS 36 HD1 HIS 36 -2.575 -3.531 -15.230 272 HD2 HIS 36 HD2 HIS 36 -2.897 0.513 -16.156 273 HE1 HIS 36 HE1 HIS 36 -3.701 -3.438 -17.479 274 HE2 HIS 36 HE2 HIS 36 -3.748 -0.992 -18.091 275 HB2 HIS 36 HB2 HIS 36 -2.129 -1.977 -13.251 276 HB3 HIS 36 HB1 HIS 36 -2.287 -0.246 -13.510 277 HA PRO 37 HA PRO 37 0.619 0.386 -10.130 278 HB2 PRO 37 HB2 PRO 37 1.040 -2.163 -8.809 279 HB3 PRO 37 HB1 PRO 37 -0.150 -0.913 -8.438 280 HG2 PRO 37 HG2 PRO 37 -0.803 -3.360 -9.446 281 HG3 PRO 37 HG1 PRO 37 -1.769 -1.898 -9.725 282 HD2 PRO 37 HD2 PRO 37 0.221 -3.232 -11.524 283 HD3 PRO 37 HD1 PRO 37 -1.355 -2.513 -11.923 284 H HIS 38 HN HIS 38 2.583 -0.318 -8.496 285 HA HIS 38 HA HIS 38 4.845 -0.497 -10.324 286 HD2 HIS 38 HD2 HIS 38 7.293 -0.761 -10.106 287 HE1 HIS 38 HE1 HIS 38 9.479 1.454 -7.225 288 HE2 HIS 38 HE2 HIS 38 9.617 -0.169 -9.140 289 HB2 HIS 38 HB2 HIS 38 4.738 1.340 -8.652 290 HB3 HIS 38 HB1 HIS 38 4.822 0.143 -7.365 291 H ILE 39 HN ILE 39 5.141 -1.582 -7.011 292 HA ILE 39 HA ILE 39 5.262 -4.361 -7.820 293 HB ILE 39 HB ILE 39 7.531 -3.426 -8.312 294 HG12 ILE 39 HG12 ILE 39 7.523 -5.426 -6.044 295 HG13 ILE 39 HG11 ILE 39 7.134 -5.821 -7.716 296 HG21 ILE 39 HG21 ILE 39 9.014 -2.893 -6.421 297 HG22 ILE 39 HG22 ILE 39 7.632 -3.002 -5.331 298 HG23 ILE 39 HG23 ILE 39 7.675 -1.755 -6.576 299 HD11 ILE 39 HD11 ILE 39 9.766 -4.742 -6.733 300 HD12 ILE 39 HD12 ILE 39 9.374 -5.167 -8.399 301 HD13 ILE 39 HD13 ILE 39 9.421 -6.419 -7.159 302 H PHE 40 HN PHE 40 5.340 -5.814 -6.002 303 HA PHE 40 HA PHE 40 4.023 -4.775 -3.682 304 HD1 PHE 40 HD1 PHE 40 4.528 -7.637 -6.516 305 HD2 PHE 40 HD2 PHE 40 6.041 -8.447 -2.624 306 HE1 PHE 40 HE1 PHE 40 6.024 -9.350 -7.458 307 HE2 PHE 40 HE2 PHE 40 7.543 -10.157 -3.556 308 HZ PHE 40 HZ PHE 40 7.535 -10.613 -5.978 309 HB2 PHE 40 HB2 PHE 40 4.076 -7.148 -2.902 310 HB3 PHE 40 HB1 PHE 40 3.328 -6.935 -4.479 311 H ILE 41 HN ILE 41 4.843 -4.374 -1.710 312 HA ILE 41 HA ILE 41 7.692 -4.961 -1.240 313 HB ILE 41 HB ILE 41 6.284 -2.389 -0.471 314 HG12 ILE 41 HG12 ILE 41 8.437 -2.874 -2.551 315 HG13 ILE 41 HG11 ILE 41 6.745 -2.528 -2.892 316 HG21 ILE 41 HG21 ILE 41 9.157 -3.253 -0.126 317 HG22 ILE 41 HG22 ILE 41 7.965 -3.036 1.155 318 HG23 ILE 41 HG23 ILE 41 8.526 -1.645 0.227 319 HD11 ILE 41 HD11 ILE 41 6.999 -0.333 -1.833 320 HD12 ILE 41 HD12 ILE 41 8.095 -0.553 -3.196 321 HD13 ILE 41 HD13 ILE 41 8.704 -0.684 -1.546 322 H ASP 42 HN ASP 42 8.184 -5.647 0.829 323 HA ASP 42 HA ASP 42 6.023 -5.593 2.813 324 HB2 ASP 42 HB2 ASP 42 6.605 -7.930 3.490 325 HB3 ASP 42 HB1 ASP 42 5.871 -7.810 1.895 326 H MET 43 HN MET 43 6.635 -5.357 4.897 327 HA MET 43 HA MET 43 9.511 -4.956 5.398 328 HB2 MET 43 HB2 MET 43 7.067 -3.892 6.823 329 HB3 MET 43 HB1 MET 43 8.689 -3.755 7.481 330 HG2 MET 43 HG2 MET 43 8.169 -1.694 6.474 331 HG3 MET 43 HG1 MET 43 9.319 -2.502 5.411 332 HE1 MET 43 HE1 MET 43 8.484 -0.514 3.676 333 HE2 MET 43 HE2 MET 43 7.266 -0.005 4.843 334 HE3 MET 43 HE3 MET 43 6.801 -0.350 3.177 335 H GLY 44 HN GLY 44 10.511 -6.510 6.550 336 HA2 GLY 44 HA2 GLY 44 8.997 -8.374 8.167 337 HA3 GLY 44 HA1 GLY 44 10.748 -8.326 7.992 338 H SER 45 HN SER 45 11.911 -6.673 9.135 339 HA SER 45 HA SER 45 10.456 -5.455 11.389 340 HG SER 45 HG SER 45 11.010 -7.820 12.305 341 HB2 SER 45 HB2 SER 45 13.335 -6.345 11.555 342 HB3 SER 45 HB1 SER 45 12.246 -5.919 12.875 343 H THR 46 HN THR 46 10.267 -3.606 9.995 344 HA THR 46 HA THR 46 12.757 -2.090 9.714 345 HB THR 46 HB THR 46 10.721 -2.288 7.487 346 HG1 THR 46 HG1 THR 46 12.789 -3.973 8.184 347 HG21 THR 46 HG21 THR 46 13.542 -1.207 7.569 348 HG22 THR 46 HG22 THR 46 12.064 -0.247 7.512 349 HG23 THR 46 HG23 THR 46 12.501 -1.270 6.144 350 H ASP 47 HN ASP 47 12.528 -0.095 10.453 351 HA ASP 47 HA ASP 47 10.029 0.815 11.492 352 HB2 ASP 47 HB2 ASP 47 12.540 2.459 11.102 353 HB3 ASP 47 HB1 ASP 47 11.240 2.759 12.247 354 H GLU 48 HN GLU 48 11.965 1.555 8.674 355 HA GLU 48 HA GLU 48 9.666 2.622 7.324 356 HB2 GLU 48 HB2 GLU 48 10.777 4.772 6.734 357 HB3 GLU 48 HB1 GLU 48 10.370 4.638 8.438 358 HG2 GLU 48 HG2 GLU 48 12.741 3.964 8.858 359 HG3 GLU 48 HG1 GLU 48 13.083 4.359 7.174 360 H LYS 49 HN LYS 49 9.746 2.058 5.250 361 HA LYS 49 HA LYS 49 12.349 1.282 4.104 362 HB2 LYS 49 HB2 LYS 49 10.907 -0.664 4.886 363 HB3 LYS 49 HB1 LYS 49 9.755 -0.203 3.644 364 HG2 LYS 49 HG2 LYS 49 11.480 -0.590 1.934 365 HG3 LYS 49 HG1 LYS 49 12.595 -1.096 3.203 366 HD2 LYS 49 HD2 LYS 49 10.986 -2.873 3.837 367 HD3 LYS 49 HD1 LYS 49 9.987 -2.409 2.459 368 HE2 LYS 49 HE2 LYS 49 11.348 -4.322 1.883 369 HE3 LYS 49 HE1 LYS 49 11.864 -2.916 0.953 370 HZ1 LYS 49 HZ1 LYS 49 13.717 -4.245 1.873 371 HZ2 LYS 49 HZ2 LYS 49 13.197 -3.855 3.439 372 HZ3 LYS 49 HZ3 LYS 49 13.735 -2.630 2.391 373 H ILE 50 HN ILE 50 12.736 2.225 2.175 374 HA ILE 50 HA ILE 50 10.651 3.981 1.171 375 HB ILE 50 HB ILE 50 13.041 4.755 1.595 376 HG12 ILE 50 HG12 ILE 50 11.872 5.205 -1.163 377 HG13 ILE 50 HG11 ILE 50 11.402 6.068 0.297 378 HG21 ILE 50 HG21 ILE 50 14.152 2.824 0.543 379 HG22 ILE 50 HG22 ILE 50 14.685 4.361 -0.139 380 HG23 ILE 50 HG23 ILE 50 13.542 3.353 -1.028 381 HD11 ILE 50 HD11 ILE 50 14.122 6.142 -0.990 382 HD12 ILE 50 HD12 ILE 50 13.639 7.019 0.463 383 HD13 ILE 50 HD13 ILE 50 12.889 7.400 -1.087 384 H CYS 51 HN CYS 51 10.032 4.100 -1.013 385 HA CYS 51 HA CYS 51 10.383 1.643 -2.557 386 HB2 CYS 51 HB2 CYS 51 8.084 2.497 -2.301 387 HB3 CYS 51 HB1 CYS 51 8.568 4.029 -3.020 388 HA PRO 52 HA PRO 52 13.979 3.800 -4.142 389 HB2 PRO 52 HB2 PRO 52 14.342 1.943 -6.220 390 HB3 PRO 52 HB1 PRO 52 15.088 1.893 -4.622 391 HG2 PRO 52 HG2 PRO 52 12.685 0.464 -5.647 392 HG3 PRO 52 HG1 PRO 52 13.909 -0.083 -4.489 393 HD2 PRO 52 HD2 PRO 52 11.480 0.669 -3.678 394 HD3 PRO 52 HD1 PRO 52 12.925 1.060 -2.720 395 H TYR 53 HN TYR 53 12.022 2.328 -6.744 396 HA TYR 53 HA TYR 53 12.719 4.477 -8.526 397 HD1 TYR 53 HD1 TYR 53 13.985 3.093 -10.610 398 HD2 TYR 53 HD2 TYR 53 11.888 0.252 -8.225 399 HE1 TYR 53 HE1 TYR 53 15.835 1.498 -10.888 400 HE2 TYR 53 HE2 TYR 53 13.738 -1.340 -8.494 401 HH TYR 53 HH TYR 53 15.568 -1.785 -10.095 402 HB2 TYR 53 HB2 TYR 53 10.784 2.191 -8.956 403 HB3 TYR 53 HB1 TYR 53 11.478 3.222 -10.202 404 H CYS 54 HN CYS 54 11.128 5.369 -6.267 405 HA CYS 54 HA CYS 54 9.049 6.723 -7.749 406 HB2 CYS 54 HB2 CYS 54 8.339 4.907 -5.443 407 HB3 CYS 54 HB1 CYS 54 7.269 6.150 -6.070 408 H SER 55 HN SER 55 10.517 6.113 -4.566 409 HA SER 55 HA SER 55 10.715 7.361 -2.695 410 HG SER 55 HG SER 55 11.992 9.010 -5.218 411 HB2 SER 55 HB2 SER 55 10.105 9.750 -4.465 412 HB3 SER 55 HB1 SER 55 10.756 9.814 -2.828 413 H THR 56 HN THR 56 9.088 6.627 -1.496 414 HA THR 56 HA THR 56 6.560 7.948 -1.329 415 HB THR 56 HB THR 56 6.333 5.012 -1.887 416 HG1 THR 56 HG1 THR 56 6.609 6.996 -3.924 417 HG21 THR 56 HG21 THR 56 4.385 6.278 -1.145 418 HG22 THR 56 HG22 THR 56 4.149 5.688 -2.790 419 HG23 THR 56 HG23 THR 56 4.562 7.379 -2.510 420 H LEU 57 HN LEU 57 8.744 7.628 0.302 421 HA LEU 57 HA LEU 57 9.480 5.308 1.429 422 HG LEU 57 HG LEU 57 11.508 5.769 2.600 423 HB2 LEU 57 HB2 LEU 57 10.239 7.796 1.783 424 HB3 LEU 57 HB1 LEU 57 9.254 7.675 3.227 425 HD11 LEU 57 HD11 LEU 57 12.826 7.055 4.218 426 HD12 LEU 57 HD12 LEU 57 11.533 8.252 4.310 427 HD13 LEU 57 HD13 LEU 57 12.407 8.011 2.797 428 HD21 LEU 57 HD21 LEU 57 10.035 6.367 5.163 429 HD22 LEU 57 HD22 LEU 57 11.375 5.235 4.972 430 HD23 LEU 57 HD23 LEU 57 9.835 4.923 4.169 431 H TYR 58 HN TYR 58 8.316 3.734 2.227 432 HA TYR 58 HA TYR 58 5.828 4.297 3.577 433 HD1 TYR 58 HD1 TYR 58 3.707 2.915 2.192 434 HD2 TYR 58 HD2 TYR 58 7.530 2.069 0.525 435 HE1 TYR 58 HE1 TYR 58 2.770 3.168 -0.068 436 HE2 TYR 58 HE2 TYR 58 6.604 2.321 -1.738 437 HH TYR 58 HH TYR 58 3.506 3.657 -2.319 438 HB2 TYR 58 HB2 TYR 58 7.122 1.669 2.837 439 HB3 TYR 58 HB1 TYR 58 5.512 1.845 3.527 440 H ARG 59 HN ARG 59 5.963 4.867 5.596 441 HA ARG 59 HA ARG 59 8.067 3.781 7.301 442 HE ARG 59 HE ARG 59 7.501 6.918 11.753 443 HB2 ARG 59 HB2 ARG 59 7.741 6.215 7.226 444 HB3 ARG 59 HB1 ARG 59 6.086 6.013 7.779 445 HG2 ARG 59 HG2 ARG 59 6.811 5.258 9.915 446 HG3 ARG 59 HG1 ARG 59 8.491 5.163 9.373 447 HD2 ARG 59 HD2 ARG 59 8.564 7.565 9.080 448 HD3 ARG 59 HD1 ARG 59 6.857 7.698 9.497 449 HH11 ARG 59 HH11 ARG 59 9.972 8.271 9.673 450 HH12 ARG 59 HH12 ARG 59 10.928 8.882 10.987 451 HH21 ARG 59 HH21 ARG 59 8.733 7.712 13.479 452 HH22 ARG 59 HH22 ARG 59 10.236 8.541 13.165 453 H TYR 60 HN TYR 60 7.645 2.025 8.390 454 HA TYR 60 HA TYR 60 4.894 1.455 9.227 455 HD1 TYR 60 HD2 TYR 60 3.581 -0.824 8.982 456 HD2 TYR 60 HD1 TYR 60 7.344 -1.957 10.605 457 HE1 TYR 60 HE2 TYR 60 2.475 -2.566 10.319 458 HE2 TYR 60 HE1 TYR 60 6.252 -3.703 11.943 459 HH TYR 60 HH TYR 60 3.973 -4.161 12.878 460 HB2 TYR 60 HB2 TYR 60 5.880 -0.300 7.856 461 HB3 TYR 60 HB1 TYR 60 7.284 -0.376 8.912 462 H ASP 61 HN ASP 61 4.772 2.636 11.092 463 HA ASP 61 HA ASP 61 6.774 2.066 13.173 464 HB2 ASP 61 HB2 ASP 61 6.410 4.466 12.528 465 HB3 ASP 61 HB1 ASP 61 4.753 4.320 13.105 466 HA PRO 62 HA PRO 62 3.917 -0.482 15.415 467 HB2 PRO 62 HB2 PRO 62 5.200 0.864 17.750 468 HB3 PRO 62 HB1 PRO 62 4.930 -0.858 17.452 469 HG2 PRO 62 HG2 PRO 62 7.344 0.177 17.132 470 HG3 PRO 62 HG1 PRO 62 6.722 -1.014 15.970 471 HD2 PRO 62 HD2 PRO 62 6.974 1.954 15.700 472 HD3 PRO 62 HD1 PRO 62 7.228 0.686 14.484 473 H SER 63 HN SER 63 4.097 2.994 15.890 474 HA SER 63 HA SER 63 1.816 3.162 17.619 475 HG SER 63 HG SER 63 4.657 4.782 17.016 476 HB2 SER 63 HB2 SER 63 2.937 5.334 15.836 477 HB3 SER 63 HB1 SER 63 1.968 5.543 17.295 478 H LEU 64 HN LEU 64 2.219 2.592 14.306 479 HA LEU 64 HA LEU 64 -0.456 3.525 13.601 480 HG LEU 64 HG LEU 64 2.099 4.673 12.606 481 HB2 LEU 64 HB2 LEU 64 1.738 2.258 11.957 482 HB3 LEU 64 HB1 LEU 64 0.178 2.737 11.315 483 HD11 LEU 64 HD11 LEU 64 2.650 5.382 10.317 484 HD12 LEU 64 HD12 LEU 64 1.710 4.028 9.689 485 HD13 LEU 64 HD13 LEU 64 3.160 3.725 10.646 486 HD21 LEU 64 HD21 LEU 64 0.729 6.353 11.464 487 HD22 LEU 64 HD22 LEU 64 -0.228 5.393 12.594 488 HD23 LEU 64 HD23 LEU 64 -0.330 5.076 10.862 489 H SER 65 HN SER 65 -1.447 1.734 11.916 490 HA SER 65 HA SER 65 -1.332 -0.936 12.953 491 HG SER 65 HG SER 65 -1.633 0.218 14.970 492 HB2 SER 65 HB2 SER 65 -3.785 0.754 13.504 493 HB3 SER 65 HB1 SER 65 -3.699 -0.996 13.712 494 H TYR 66 HN TYR 66 -3.547 -2.069 12.034 495 HA TYR 66 HA TYR 66 -3.045 -2.192 9.279 496 HD1 TYR 66 HD1 TYR 66 -3.278 -4.343 7.976 497 HD2 TYR 66 HD2 TYR 66 -7.201 -3.737 9.508 498 HE1 TYR 66 HE1 TYR 66 -4.224 -5.300 5.919 499 HE2 TYR 66 HE2 TYR 66 -8.157 -4.689 7.454 500 HH TYR 66 HH TYR 66 -6.150 -6.220 5.034 501 HB2 TYR 66 HB2 TYR 66 -3.884 -4.096 10.553 502 HB3 TYR 66 HB1 TYR 66 -5.396 -3.250 10.860 503 H ASN 67 HN ASN 67 -5.714 -0.686 11.082 504 HA ASN 67 HA ASN 67 -6.966 0.194 8.603 505 HB2 ASN 67 HB2 ASN 67 -8.265 -0.614 10.624 506 HB3 ASN 67 HB1 ASN 67 -7.791 0.876 11.429 507 HD21 ASN 67 HD21 ASN 67 -9.803 1.735 11.619 508 HD22 ASN 67 HD22 ASN 67 -10.757 2.239 10.269 509 H GLN 68 HN GLN 68 -4.420 1.253 10.326 510 HA GLN 68 HA GLN 68 -5.077 4.103 10.041 511 HB2 GLN 68 HB2 GLN 68 -2.876 2.795 11.641 512 HB3 GLN 68 HB1 GLN 68 -3.170 4.522 11.549 513 HG2 GLN 68 HG2 GLN 68 -5.381 4.169 12.564 514 HG3 GLN 68 HG1 GLN 68 -5.013 2.451 12.710 515 HE21 GLN 68 HE21 GLN 68 -5.150 2.464 14.949 516 HE22 GLN 68 HE22 GLN 68 -3.948 3.219 15.945 517 H THR 69 HN THR 69 -4.347 5.019 8.268 518 HA THR 69 HA THR 69 -1.952 3.945 6.985 519 HB THR 69 HB THR 69 -3.898 4.069 5.540 520 HG1 THR 69 HG1 THR 69 -1.610 4.926 4.882 521 HG21 THR 69 HG21 THR 69 -3.937 7.024 6.148 522 HG22 THR 69 HG22 THR 69 -5.141 5.835 6.645 523 HG23 THR 69 HG23 THR 69 -4.932 6.217 4.935 524 H ASN 70 HN ASN 70 -2.169 6.920 5.724 525 HA ASN 70 HA ASN 70 -0.075 7.870 7.532 526 HB2 ASN 70 HB2 ASN 70 0.629 9.290 5.626 527 HB3 ASN 70 HB1 ASN 70 0.624 7.579 5.229 528 HD21 ASN 70 HD21 ASN 70 -2.118 9.860 5.288 529 HD22 ASN 70 HD22 ASN 70 -2.476 9.703 3.608 530 HA PRO 71 HA PRO 71 -2.071 11.499 9.107 531 HB2 PRO 71 HB2 PRO 71 -0.108 13.117 7.538 532 HB3 PRO 71 HB1 PRO 71 -0.538 13.220 9.248 533 HG2 PRO 71 HG2 PRO 71 1.745 12.078 8.496 534 HG3 PRO 71 HG1 PRO 71 0.787 11.411 9.833 535 HD2 PRO 71 HD2 PRO 71 1.103 10.407 7.041 536 HD3 PRO 71 HD1 PRO 71 0.868 9.504 8.551 537 H THR 72 HN THR 72 -3.909 12.427 8.441 538 HA THR 72 HA THR 72 -5.606 13.085 7.089 539 HB THR 72 HB THR 72 -3.449 13.750 5.068 540 HG1 THR 72 HG1 THR 72 -3.170 15.005 6.914 541 HG21 THR 72 HG21 THR 72 -5.129 15.212 4.066 542 HG22 THR 72 HG22 THR 72 -6.324 14.667 5.244 543 HG23 THR 72 HG23 THR 72 -5.675 13.536 4.056 544 H GLY 73 HN GLY 73 -6.797 11.374 6.595 545 HA2 GLY 73 HA2 GLY 73 -5.842 9.009 5.434 546 HA3 GLY 73 HA1 GLY 73 -7.534 9.440 5.615 547 H CYS 74 HN CYS 74 -4.853 9.224 3.469 548 HA CYS 74 HA CYS 74 -6.296 10.499 1.295 549 HG CYS 74 HG CYS 74 -3.952 11.534 3.139 550 HB2 CYS 74 HB2 CYS 74 -3.565 9.197 1.256 551 HB3 CYS 74 HB1 CYS 74 -4.249 10.249 0.019 552 H LEU 75 HN LEU 75 -4.220 7.776 0.766 553 HA LEU 75 HA LEU 75 -4.451 5.927 -0.507 554 HG LEU 75 HG LEU 75 -7.724 6.324 1.025 555 HB2 LEU 75 HB2 LEU 75 -5.916 4.243 0.355 556 HB3 LEU 75 HB1 LEU 75 -5.215 5.132 1.690 557 HD11 LEU 75 HD11 LEU 75 -8.311 4.205 0.008 558 HD12 LEU 75 HD12 LEU 75 -9.199 4.430 1.516 559 HD13 LEU 75 HD13 LEU 75 -7.809 3.344 1.462 560 HD21 LEU 75 HD21 LEU 75 -6.872 4.674 3.398 561 HD22 LEU 75 HD22 LEU 75 -8.212 5.822 3.338 562 HD23 LEU 75 HD23 LEU 75 -6.550 6.394 3.185 563 H TYR 76 HN TYR 76 -6.373 4.445 -1.604 564 HA TYR 76 HA TYR 76 -7.816 6.383 -3.285 565 HD1 TYR 76 HD1 TYR 76 -8.292 6.744 -5.457 566 HD2 TYR 76 HD2 TYR 76 -7.639 2.557 -5.832 567 HE1 TYR 76 HE1 TYR 76 -9.722 6.706 -7.456 568 HE2 TYR 76 HE2 TYR 76 -9.066 2.510 -7.832 569 HH TYR 76 HH TYR 76 -10.126 5.390 -9.405 570 HB2 TYR 76 HB2 TYR 76 -6.078 5.198 -4.524 571 HB3 TYR 76 HB1 TYR 76 -6.747 3.652 -4.019 572 H ASN 77 HN ASN 77 -9.738 6.469 -2.276 573 HA ASN 77 HA ASN 77 -11.237 3.939 -1.988 574 HB2 ASN 77 HB2 ASN 77 -10.767 5.246 0.137 575 HB3 ASN 77 HB1 ASN 77 -11.775 6.530 -0.519 576 HD21 ASN 77 HD21 ASN 77 -11.703 3.389 0.893 577 HD22 ASN 77 HD22 ASN 77 -13.407 3.226 1.135 578 HA PRO 78 HA PRO 78 -13.356 5.980 -5.383 579 HB2 PRO 78 HB2 PRO 78 -14.750 3.457 -5.770 580 HB3 PRO 78 HB1 PRO 78 -13.574 4.249 -6.821 581 HG2 PRO 78 HG2 PRO 78 -13.054 1.949 -5.467 582 HG3 PRO 78 HG1 PRO 78 -11.806 3.127 -5.905 583 HD2 PRO 78 HD2 PRO 78 -13.168 2.697 -3.276 584 HD3 PRO 78 HD1 PRO 78 -11.464 3.067 -3.618 585 H LYS 79 HN LYS 79 -14.672 7.355 -4.133 586 HA LYS 79 HA LYS 79 -17.259 6.242 -3.306 587 HB2 LYS 79 HB2 LYS 79 -16.171 9.044 -2.924 588 HB3 LYS 79 HB1 LYS 79 -17.678 8.423 -2.267 589 HG2 LYS 79 HG2 LYS 79 -16.381 6.775 -0.957 590 HG3 LYS 79 HG1 LYS 79 -14.897 7.523 -1.551 591 HD2 LYS 79 HD2 LYS 79 -15.596 9.659 -0.536 592 HD3 LYS 79 HD1 LYS 79 -17.044 8.869 0.091 593 HE2 LYS 79 HE2 LYS 79 -15.584 7.298 1.339 594 HE3 LYS 79 HE1 LYS 79 -14.179 8.211 0.790 595 HZ1 LYS 79 HZ1 LYS 79 -16.400 9.261 2.470 596 HZ2 LYS 79 HZ2 LYS 79 -15.067 10.163 1.937 597 HZ3 LYS 79 HZ3 LYS 79 -14.840 8.872 3.010 598 H LEU 80 HN LEU 80 -18.398 5.940 -5.146 599 HA LEU 80 HA LEU 80 -18.062 7.817 -7.341 600 HG LEU 80 HG LEU 80 -17.121 4.820 -6.957 601 HB2 LEU 80 HB2 LEU 80 -19.526 5.183 -7.241 602 HB3 LEU 80 HB1 LEU 80 -19.222 6.129 -8.685 603 HD11 LEU 80 HD11 LEU 80 -16.774 3.371 -8.895 604 HD12 LEU 80 HD12 LEU 80 -18.127 4.149 -9.716 605 HD13 LEU 80 HD13 LEU 80 -18.407 3.215 -8.246 606 HD21 LEU 80 HD21 LEU 80 -16.320 6.904 -7.953 607 HD22 LEU 80 HD22 LEU 80 -16.836 6.346 -9.545 608 HD23 LEU 80 HD23 LEU 80 -15.547 5.500 -8.688 609 H GLU 81 HN GLU 81 -19.388 9.410 -7.663 610 HA GLU 81 HA GLU 81 -22.254 8.913 -7.555 611 HB2 GLU 81 HB2 GLU 81 -21.076 10.384 -5.528 612 HB3 GLU 81 HB1 GLU 81 -21.570 11.630 -6.664 613 HG2 GLU 81 HG2 GLU 81 -23.364 9.539 -5.439 614 HG3 GLU 81 HG1 GLU 81 -23.276 11.236 -4.974 615 H HIS 82 HN HIS 82 -22.945 11.593 -8.281 616 HA HIS 82 HA HIS 82 -23.421 12.656 -10.206 617 HD1 HIS 82 HD1 HIS 82 -19.208 13.049 -8.636 618 HD2 HIS 82 HD2 HIS 82 -19.729 12.100 -12.655 619 HE1 HIS 82 HE1 HIS 82 -16.994 12.128 -9.410 620 HE2 HIS 82 HE2 HIS 82 -17.393 11.394 -11.796 621 HB2 HIS 82 HB2 HIS 82 -21.595 13.834 -11.288 622 HB3 HIS 82 HB1 HIS 82 -21.392 13.867 -9.546 623 H HIS 83 HN HIS 83 -23.125 9.703 -10.371 624 HA HIS 83 HA HIS 83 -22.570 9.397 -13.234 625 HD1 HIS 83 HD1 HIS 83 -21.179 6.598 -14.145 626 HD2 HIS 83 HD2 HIS 83 -20.149 8.054 -10.386 627 HE1 HIS 83 HE1 HIS 83 -18.679 6.358 -13.985 628 HE2 HIS 83 HE2 HIS 83 -18.060 7.392 -11.771 629 HB2 HIS 83 HB2 HIS 83 -22.857 7.478 -10.949 630 HB3 HIS 83 HB1 HIS 83 -23.178 6.914 -12.582 631 H HIS 84 HN HIS 84 -24.184 9.244 -14.684 632 HA HIS 84 HA HIS 84 -26.765 8.237 -13.841 633 HD1 HIS 84 HD1 HIS 84 -25.141 12.391 -14.533 634 HD2 HIS 84 HD2 HIS 84 -27.942 10.870 -17.195 635 HE1 HIS 84 HE1 HIS 84 -24.935 13.794 -16.603 636 HE2 HIS 84 HE2 HIS 84 -26.459 12.692 -18.280 637 HB2 HIS 84 HB2 HIS 84 -28.077 10.107 -14.490 638 HB3 HIS 84 HB1 HIS 84 -26.808 10.749 -13.459 639 H HIS 85 HN HIS 85 -27.789 7.144 -15.439 640 HA HIS 85 HA HIS 85 -26.612 7.182 -18.113 641 HD1 HIS 85 HD1 HIS 85 -29.809 4.348 -19.298 642 HD2 HIS 85 HD2 HIS 85 -25.715 5.097 -19.413 643 HE1 HIS 85 HE1 HIS 85 -28.990 3.339 -21.457 644 HE2 HIS 85 HE2 HIS 85 -26.483 3.639 -21.409 645 HB2 HIS 85 HB2 HIS 85 -27.417 5.057 -16.842 646 HB3 HIS 85 HB1 HIS 85 -29.035 5.581 -17.298 647 H HIS 86 HN HIS 86 -29.641 7.806 -16.435 648 HA HIS 86 HA HIS 86 -30.092 10.021 -18.319 649 HD1 HIS 86 HD1 HIS 86 -33.481 6.919 -18.974 650 HD2 HIS 86 HD2 HIS 86 -30.704 9.617 -20.497 651 HE1 HIS 86 HE1 HIS 86 -33.386 6.473 -21.448 652 HE2 HIS 86 HE2 HIS 86 -31.560 7.985 -22.313 653 HB2 HIS 86 HB2 HIS 86 -32.143 8.127 -17.174 654 HB3 HIS 86 HB1 HIS 86 -32.587 9.747 -17.699 655 H HIS 87 HN HIS 87 -30.714 8.675 -15.090 656 HA HIS 87 HA HIS 87 -29.667 11.043 -13.888 657 HD1 HIS 87 HD1 HIS 87 -33.677 9.802 -15.043 658 HD2 HIS 87 HD2 HIS 87 -33.098 10.207 -10.951 659 HE1 HIS 87 HE1 HIS 87 -35.553 8.519 -13.970 660 HE2 HIS 87 HE2 HIS 87 -35.085 8.634 -11.494 661 HB2 HIS 87 HB2 HIS 87 -31.567 11.760 -12.610 662 HB3 HIS 87 HB1 HIS 87 -32.028 11.751 -14.303 Start of MODEL 15 1 HA MET 1 HA MET 1 -14.759 -19.878 2.379 2 H1 MET 1 HT1 MET 1 -17.105 -20.200 2.683 3 H2 MET 1 HT2 MET 1 -17.434 -19.509 1.171 4 H3 MET 1 HT3 MET 1 -16.780 -18.556 2.413 5 HB2 MET 1 HB2 MET 1 -15.742 -21.965 1.546 6 HB3 MET 1 HB1 MET 1 -16.101 -21.198 0.005 7 HG2 MET 1 HG2 MET 1 -13.689 -20.892 -0.374 8 HG3 MET 1 HG1 MET 1 -13.367 -21.740 1.137 9 HE1 MET 1 HE1 MET 1 -14.782 -25.321 0.342 10 HE2 MET 1 HE2 MET 1 -15.656 -23.976 1.075 11 HE3 MET 1 HE3 MET 1 -13.990 -24.307 1.549 12 H ALA 2 HN ALA 2 -13.818 -17.939 2.002 13 HA ALA 2 HA ALA 2 -13.665 -17.099 -0.810 14 HB1 ALA 2 HB1 ALA 2 -14.097 -15.217 1.509 15 HB2 ALA 2 HB2 ALA 2 -15.315 -15.666 0.314 16 HB3 ALA 2 HB3 ALA 2 -13.884 -14.762 -0.181 17 H ASP 3 HN ASP 3 -11.680 -16.455 -1.455 18 HA ASP 3 HA ASP 3 -9.471 -16.859 0.340 19 HB2 ASP 3 HB2 ASP 3 -8.071 -16.315 -1.634 20 HB3 ASP 3 HB1 ASP 3 -9.252 -17.572 -1.981 21 H TYR 4 HN TYR 4 -8.791 -15.366 1.709 22 HA TYR 4 HA TYR 4 -9.609 -12.643 1.531 23 HD1 TYR 4 HD2 TYR 4 -10.125 -11.380 3.869 24 HD2 TYR 4 HD1 TYR 4 -5.945 -12.165 3.725 25 HE1 TYR 4 HE2 TYR 4 -9.680 -9.160 4.828 26 HE2 TYR 4 HE1 TYR 4 -5.491 -9.947 4.684 27 HH TYR 4 HH TYR 4 -6.610 -7.749 4.838 28 HB2 TYR 4 HB2 TYR 4 -9.155 -13.735 3.693 29 HB3 TYR 4 HB1 TYR 4 -7.456 -13.893 3.258 30 H ASN 5 HN ASN 5 -8.895 -11.441 -0.099 31 HA ASN 5 HA ASN 5 -6.274 -11.782 -1.219 32 HB2 ASN 5 HB2 ASN 5 -6.903 -10.071 -2.800 33 HB3 ASN 5 HB1 ASN 5 -8.267 -11.166 -2.600 34 HD21 ASN 5 HD21 ASN 5 -10.142 -10.423 -1.594 35 HD22 ASN 5 HD22 ASN 5 -10.425 -8.737 -1.324 36 H ILE 6 HN ILE 6 -4.647 -10.149 -1.302 37 HA ILE 6 HA ILE 6 -4.282 -8.739 1.144 38 HB ILE 6 HB ILE 6 -2.268 -7.763 0.031 39 HG12 ILE 6 HG12 ILE 6 -3.111 -9.517 -2.292 40 HG13 ILE 6 HG11 ILE 6 -3.151 -7.756 -2.279 41 HG21 ILE 6 HG21 ILE 6 -2.567 -10.760 -0.125 42 HG22 ILE 6 HG22 ILE 6 -2.114 -9.823 1.299 43 HG23 ILE 6 HG23 ILE 6 -1.036 -9.885 -0.095 44 HD11 ILE 6 HD11 ILE 6 -1.211 -8.630 -3.479 45 HD12 ILE 6 HD12 ILE 6 -0.674 -9.448 -2.012 46 HD13 ILE 6 HD13 ILE 6 -0.735 -7.687 -2.067 47 HA PRO 7 HA PRO 7 -6.557 -5.095 0.306 48 HB2 PRO 7 HB2 PRO 7 -4.476 -3.684 1.866 49 HB3 PRO 7 HB1 PRO 7 -6.218 -3.784 2.142 50 HG2 PRO 7 HG2 PRO 7 -4.496 -5.128 3.684 51 HG3 PRO 7 HG1 PRO 7 -6.063 -5.821 3.227 52 HD2 PRO 7 HD2 PRO 7 -3.342 -6.406 2.139 53 HD3 PRO 7 HD1 PRO 7 -4.692 -7.514 2.461 54 H HIS 8 HN HIS 8 -6.543 -3.994 -1.507 55 HA HIS 8 HA HIS 8 -4.051 -3.034 -2.660 56 HD1 HIS 8 HD1 HIS 8 -7.349 -5.436 -3.912 57 HD2 HIS 8 HD2 HIS 8 -8.279 -1.397 -3.534 58 HE1 HIS 8 HE1 HIS 8 -9.846 -5.335 -3.637 59 HE2 HIS 8 HE2 HIS 8 -10.401 -2.876 -3.619 60 HB2 HIS 8 HB2 HIS 8 -5.690 -2.216 -4.509 61 HB3 HIS 8 HB1 HIS 8 -5.383 -3.939 -4.355 62 H PHE 9 HN PHE 9 -3.386 -0.955 -2.580 63 HA PHE 9 HA PHE 9 -5.036 0.783 -0.884 64 HD1 PHE 9 HD1 PHE 9 -4.097 1.226 1.777 65 HD2 PHE 9 HD2 PHE 9 -1.714 -1.560 -0.379 66 HE1 PHE 9 HE1 PHE 9 -4.070 -0.260 3.738 67 HE2 PHE 9 HE2 PHE 9 -1.684 -3.054 1.576 68 HZ PHE 9 HZ PHE 9 -2.865 -2.403 3.638 69 HB2 PHE 9 HB2 PHE 9 -2.040 0.636 -1.214 70 HB3 PHE 9 HB1 PHE 9 -2.869 1.866 -0.265 71 H GLN 10 HN GLN 10 -4.415 3.136 -1.057 72 HA GLN 10 HA GLN 10 -3.637 4.173 -3.627 73 HB2 GLN 10 HB2 GLN 10 -5.798 5.334 -4.029 74 HB3 GLN 10 HB1 GLN 10 -5.953 3.584 -4.140 75 HG2 GLN 10 HG2 GLN 10 -7.202 3.430 -2.237 76 HG3 GLN 10 HG1 GLN 10 -6.484 4.867 -1.517 77 HE21 GLN 10 HE21 GLN 10 -8.457 5.714 -0.961 78 HE22 GLN 10 HE22 GLN 10 -9.553 6.366 -2.129 79 H ASN 11 HN ASN 11 -2.949 6.310 -3.387 80 HA ASN 11 HA ASN 11 -4.008 7.784 -1.078 81 HB2 ASN 11 HB2 ASN 11 -1.629 7.015 -0.656 82 HB3 ASN 11 HB1 ASN 11 -1.136 8.061 -1.983 83 HD21 ASN 11 HD21 ASN 11 -0.501 8.126 0.889 84 HD22 ASN 11 HD22 ASN 11 -0.955 9.700 1.435 85 H ASP 12 HN ASP 12 -5.171 9.406 -1.850 86 HA ASP 12 HA ASP 12 -4.895 10.337 -4.538 87 HB2 ASP 12 HB2 ASP 12 -6.757 10.758 -2.319 88 HB3 ASP 12 HB1 ASP 12 -6.485 12.207 -3.279 89 H LEU 13 HN LEU 13 -3.518 11.252 -1.535 90 HA LEU 13 HA LEU 13 -3.025 14.004 -2.321 91 HG LEU 13 HG LEU 13 -4.519 12.546 0.058 92 HB2 LEU 13 HB2 LEU 13 -2.037 12.502 0.102 93 HB3 LEU 13 HB1 LEU 13 -2.031 14.240 -0.128 94 HD11 LEU 13 HD11 LEU 13 -4.784 13.538 2.274 95 HD12 LEU 13 HD12 LEU 13 -3.219 14.333 2.106 96 HD13 LEU 13 HD13 LEU 13 -3.312 12.571 2.164 97 HD21 LEU 13 HD21 LEU 13 -5.673 14.689 0.275 98 HD22 LEU 13 HD22 LEU 13 -4.825 14.569 -1.267 99 HD23 LEU 13 HD23 LEU 13 -4.146 15.538 0.040 100 H GLY 14 HN GLY 14 -1.383 10.958 -2.289 101 HA2 GLY 14 HA2 GLY 14 0.496 10.397 -3.532 102 HA3 GLY 14 HA1 GLY 14 0.757 12.101 -3.862 103 H TYR 15 HN TYR 15 1.957 13.346 -2.453 104 HA TYR 15 HA TYR 15 3.623 13.832 -0.991 105 HD1 TYR 15 HD2 TYR 15 2.848 15.031 0.815 106 HD2 TYR 15 HD1 TYR 15 0.775 11.389 1.538 107 HE1 TYR 15 HE2 TYR 15 1.036 16.287 1.906 108 HE2 TYR 15 HE1 TYR 15 -1.041 12.631 2.630 109 HH TYR 15 HH TYR 15 -1.439 15.941 2.379 110 HB2 TYR 15 HB2 TYR 15 2.770 11.303 0.436 111 HB3 TYR 15 HB1 TYR 15 3.943 12.457 1.052 112 H LYS 16 HN LYS 16 5.676 12.611 0.099 113 HA LYS 16 HA LYS 16 6.621 10.592 -1.817 114 HB2 LYS 16 HB2 LYS 16 8.171 12.960 -0.768 115 HB3 LYS 16 HB1 LYS 16 8.916 11.595 -1.595 116 HG2 LYS 16 HG2 LYS 16 7.315 12.069 -3.502 117 HG3 LYS 16 HG1 LYS 16 6.971 13.596 -2.693 118 HD2 LYS 16 HD2 LYS 16 9.260 14.280 -2.886 119 HD3 LYS 16 HD1 LYS 16 9.729 12.693 -3.502 120 HE2 LYS 16 HE2 LYS 16 7.916 14.687 -4.853 121 HE3 LYS 16 HE1 LYS 16 9.561 14.273 -5.331 122 HZ1 LYS 16 HZ1 LYS 16 7.920 13.145 -6.705 123 HZ2 LYS 16 HZ2 LYS 16 7.240 12.411 -5.338 124 HZ3 LYS 16 HZ3 LYS 16 8.820 12.022 -5.808 125 H ILE 17 HN ILE 17 5.634 10.978 1.122 126 HA ILE 17 HA ILE 17 7.168 8.689 2.069 127 HB ILE 17 HB ILE 17 6.751 11.185 3.744 128 HG12 ILE 17 HG12 ILE 17 9.314 9.819 2.887 129 HG13 ILE 17 HG11 ILE 17 8.689 11.321 2.213 130 HG21 ILE 17 HG21 ILE 17 7.895 9.939 5.540 131 HG22 ILE 17 HG22 ILE 17 7.857 8.493 4.530 132 HG23 ILE 17 HG23 ILE 17 6.349 9.220 5.086 133 HD11 ILE 17 HD11 ILE 17 9.584 10.881 5.050 134 HD12 ILE 17 HD12 ILE 17 8.921 12.383 4.408 135 HD13 ILE 17 HD13 ILE 17 10.455 11.764 3.797 136 H ILE 18 HN ILE 18 5.493 7.221 2.208 137 HA ILE 18 HA ILE 18 3.021 8.264 3.514 138 HB ILE 18 HB ILE 18 3.358 5.844 1.743 139 HG12 ILE 18 HG12 ILE 18 1.568 8.268 1.482 140 HG13 ILE 18 HG11 ILE 18 3.123 8.102 0.684 141 HG21 ILE 18 HG21 ILE 18 1.877 5.221 3.562 142 HG22 ILE 18 HG22 ILE 18 0.939 5.448 2.088 143 HG23 ILE 18 HG23 ILE 18 0.928 6.694 3.338 144 HD11 ILE 18 HD11 ILE 18 2.294 6.167 -0.542 145 HD12 ILE 18 HD12 ILE 18 1.289 7.590 -0.822 146 HD13 ILE 18 HD13 ILE 18 0.737 6.321 0.271 147 H GLU 19 HN GLU 19 2.497 7.654 5.502 148 HA GLU 19 HA GLU 19 3.990 5.498 6.770 149 HB2 GLU 19 HB2 GLU 19 1.821 7.195 8.015 150 HB3 GLU 19 HB1 GLU 19 3.038 6.237 8.845 151 HG2 GLU 19 HG2 GLU 19 4.066 8.206 9.086 152 HG3 GLU 19 HG1 GLU 19 4.611 7.911 7.434 153 H ILE 20 HN ILE 20 3.117 3.563 7.377 154 HA ILE 20 HA ILE 20 0.271 3.111 6.848 155 HB ILE 20 HB ILE 20 0.875 0.886 5.790 156 HG12 ILE 20 HG12 ILE 20 3.552 2.259 5.448 157 HG13 ILE 20 HG11 ILE 20 3.243 0.843 6.447 158 HG21 ILE 20 HG21 ILE 20 1.170 1.869 3.559 159 HG22 ILE 20 HG22 ILE 20 1.545 3.422 4.308 160 HG23 ILE 20 HG23 ILE 20 -0.057 2.710 4.508 161 HD11 ILE 20 HD11 ILE 20 2.677 -0.449 4.472 162 HD12 ILE 20 HD12 ILE 20 4.288 0.256 4.325 163 HD13 ILE 20 HD13 ILE 20 2.929 0.972 3.458 164 H GLY 21 HN GLY 21 -0.660 1.405 7.997 165 HA2 GLY 21 HA2 GLY 21 0.835 0.663 10.399 166 HA3 GLY 21 HA1 GLY 21 -0.904 0.533 10.181 167 H VAL 22 HN VAL 22 1.192 -0.602 7.696 168 HA VAL 22 HA VAL 22 0.962 -3.374 8.615 169 HB VAL 22 HB VAL 22 0.423 -4.101 6.285 170 HG11 VAL 22 HG11 VAL 22 -1.962 -3.535 6.376 171 HG12 VAL 22 HG12 VAL 22 -1.616 -2.284 7.571 172 HG13 VAL 22 HG13 VAL 22 -1.338 -3.982 7.962 173 HG21 VAL 22 HG21 VAL 22 -0.131 -1.170 5.823 174 HG22 VAL 22 HG22 VAL 22 -0.482 -2.482 4.698 175 HG23 VAL 22 HG23 VAL 22 1.189 -2.094 5.108 176 H LYS 23 HN LYS 23 2.648 -4.722 7.918 177 HA LYS 23 HA LYS 23 4.964 -3.280 6.871 178 HB2 LYS 23 HB2 LYS 23 4.698 -5.933 8.277 179 HB3 LYS 23 HB1 LYS 23 6.191 -5.429 7.499 180 HG2 LYS 23 HG2 LYS 23 6.164 -3.390 8.949 181 HG3 LYS 23 HG1 LYS 23 4.803 -4.106 9.814 182 HD2 LYS 23 HD2 LYS 23 6.180 -6.035 10.402 183 HD3 LYS 23 HD1 LYS 23 7.537 -5.345 9.510 184 HE2 LYS 23 HE2 LYS 23 7.521 -3.406 11.027 185 HE3 LYS 23 HE1 LYS 23 6.198 -4.140 11.932 186 HZ1 LYS 23 HZ1 LYS 23 7.687 -6.042 12.387 187 HZ2 LYS 23 HZ2 LYS 23 8.248 -4.585 13.049 188 HZ3 LYS 23 HZ3 LYS 23 8.959 -5.201 11.642 189 H GLU 24 HN GLU 24 2.492 -4.757 5.496 190 HA GLU 24 HA GLU 24 4.150 -5.659 3.255 191 HB2 GLU 24 HB2 GLU 24 1.762 -7.073 4.428 192 HB3 GLU 24 HB1 GLU 24 2.320 -7.376 2.787 193 HG2 GLU 24 HG2 GLU 24 4.478 -8.087 3.621 194 HG3 GLU 24 HG1 GLU 24 3.984 -7.716 5.272 195 H PHE 25 HN PHE 25 3.767 -4.528 1.536 196 HA PHE 25 HA PHE 25 1.143 -3.308 1.057 197 HD1 PHE 25 HD1 PHE 25 3.343 -0.700 -1.062 198 HD2 PHE 25 HD2 PHE 25 0.616 -0.424 2.194 199 HE1 PHE 25 HE1 PHE 25 2.266 1.234 -2.133 200 HE2 PHE 25 HE2 PHE 25 -0.470 1.503 1.125 201 HZ PHE 25 HZ PHE 25 0.353 2.335 -1.039 202 HB2 PHE 25 HB2 PHE 25 2.596 -1.739 2.373 203 HB3 PHE 25 HB1 PHE 25 3.782 -1.804 1.081 204 H MET 26 HN MET 26 0.862 -2.699 -1.214 205 HA MET 26 HA MET 26 3.161 -3.057 -2.954 206 HB2 MET 26 HB2 MET 26 1.970 -5.261 -3.011 207 HB3 MET 26 HB1 MET 26 0.548 -4.427 -3.638 208 HG2 MET 26 HG2 MET 26 1.907 -3.629 -5.538 209 HG3 MET 26 HG1 MET 26 3.262 -4.569 -4.929 210 HE1 MET 26 HE1 MET 26 2.300 -4.800 -7.898 211 HE2 MET 26 HE2 MET 26 2.355 -6.552 -8.104 212 HE3 MET 26 HE3 MET 26 3.617 -5.731 -7.183 213 H CYS 27 HN CYS 27 3.013 -1.910 -4.900 214 HA CYS 27 HA CYS 27 1.653 0.511 -4.860 215 HB2 CYS 27 HB2 CYS 27 2.836 -1.036 -7.170 216 HB3 CYS 27 HB1 CYS 27 2.231 0.611 -7.317 217 H VAL 28 HN VAL 28 0.833 -2.486 -6.597 218 HA VAL 28 HA VAL 28 -1.037 -3.212 -7.661 219 HB VAL 28 HB VAL 28 -2.451 -0.912 -6.288 220 HG11 VAL 28 HG11 VAL 28 -4.513 -2.119 -6.787 221 HG12 VAL 28 HG12 VAL 28 -3.593 -3.346 -7.658 222 HG13 VAL 28 HG13 VAL 28 -3.656 -1.693 -8.269 223 HG21 VAL 28 HG21 VAL 28 -1.513 -2.466 -4.677 224 HG22 VAL 28 HG22 VAL 28 -2.240 -3.828 -5.532 225 HG23 VAL 28 HG23 VAL 28 -3.267 -2.637 -4.731 226 H GLY 29 HN GLY 29 -1.053 0.336 -7.630 227 HA2 GLY 29 HA2 GLY 29 -0.540 0.377 -10.489 228 HA3 GLY 29 HA1 GLY 29 -2.060 1.103 -9.972 229 H ALA 30 HN ALA 30 -0.581 2.888 -11.121 230 HA ALA 30 HA ALA 30 -0.032 4.807 -9.147 231 HB1 ALA 30 HB1 ALA 30 2.388 5.058 -9.376 232 HB2 ALA 30 HB2 ALA 30 2.443 3.635 -10.416 233 HB3 ALA 30 HB3 ALA 30 1.974 3.473 -8.723 234 H THR 31 HN THR 31 0.594 3.654 -12.368 235 HA THR 31 HA THR 31 0.471 4.516 -14.415 236 HB THR 31 HB THR 31 -0.837 6.488 -14.951 237 HG1 THR 31 HG1 THR 31 -0.878 6.919 -12.137 238 HG21 THR 31 HG21 THR 31 -2.151 4.798 -12.831 239 HG22 THR 31 HG22 THR 31 -2.002 4.391 -14.540 240 HG23 THR 31 HG23 THR 31 -2.987 5.767 -14.044 241 H GLN 32 HN GLN 32 1.024 7.576 -12.618 242 HA GLN 32 HA GLN 32 3.099 8.307 -14.411 243 HB2 GLN 32 HB2 GLN 32 2.031 9.459 -11.880 244 HB3 GLN 32 HB1 GLN 32 3.602 10.005 -12.449 245 HG2 GLN 32 HG2 GLN 32 1.855 11.490 -13.219 246 HG3 GLN 32 HG1 GLN 32 2.610 10.667 -14.580 247 HE21 GLN 32 HE21 GLN 32 1.430 9.125 -15.733 248 HE22 GLN 32 HE22 GLN 32 -0.294 9.021 -15.607 249 HA PRO 33 HA PRO 33 6.191 6.685 -11.102 250 HB2 PRO 33 HB2 PRO 33 4.592 5.356 -9.041 251 HB3 PRO 33 HB1 PRO 33 5.859 6.571 -8.855 252 HG2 PRO 33 HG2 PRO 33 3.261 7.112 -8.357 253 HG3 PRO 33 HG1 PRO 33 4.378 8.330 -9.004 254 HD2 PRO 33 HD2 PRO 33 2.345 6.666 -10.450 255 HD3 PRO 33 HD1 PRO 33 2.710 8.396 -10.622 256 H PHE 34 HN PHE 34 4.789 5.511 -13.241 257 HA PHE 34 HA PHE 34 4.750 3.619 -14.458 258 HD1 PHE 34 HD2 PHE 34 6.882 2.918 -15.627 259 HD2 PHE 34 HD1 PHE 34 7.959 3.335 -11.535 260 HE1 PHE 34 HE2 PHE 34 9.044 3.883 -16.304 261 HE2 PHE 34 HE1 PHE 34 10.122 4.310 -12.200 262 HZ PHE 34 HZ PHE 34 10.667 4.581 -14.587 263 HB2 PHE 34 HB2 PHE 34 6.011 2.278 -12.064 264 HB3 PHE 34 HB1 PHE 34 5.825 1.557 -13.659 265 H ASP 35 HN ASP 35 2.885 2.825 -14.949 266 HA ASP 35 HA ASP 35 0.987 2.025 -12.916 267 HB2 ASP 35 HB2 ASP 35 -0.590 1.768 -14.722 268 HB3 ASP 35 HB1 ASP 35 0.299 3.265 -14.985 269 H HIS 36 HN HIS 36 -0.306 -0.110 -14.143 270 HA HIS 36 HA HIS 36 -0.303 -2.385 -14.222 271 HD1 HIS 36 HD1 HIS 36 3.130 -1.221 -17.077 272 HD2 HIS 36 HD2 HIS 36 -0.683 -2.866 -16.828 273 HE1 HIS 36 HE1 HIS 36 2.101 -0.894 -19.343 274 HE2 HIS 36 HE2 HIS 36 -0.107 -2.100 -19.230 275 HB2 HIS 36 HB2 HIS 36 2.657 -2.089 -14.827 276 HB3 HIS 36 HB1 HIS 36 1.740 -3.583 -14.966 277 HA PRO 37 HA PRO 37 1.108 -3.919 -10.216 278 HB2 PRO 37 HB2 PRO 37 2.437 -6.268 -10.828 279 HB3 PRO 37 HB1 PRO 37 0.688 -6.130 -10.615 280 HG2 PRO 37 HG2 PRO 37 2.298 -6.164 -13.136 281 HG3 PRO 37 HG1 PRO 37 0.739 -6.935 -12.789 282 HD2 PRO 37 HD2 PRO 37 0.890 -4.671 -14.217 283 HD3 PRO 37 HD1 PRO 37 -0.444 -4.957 -13.077 284 H HIS 38 HN HIS 38 2.606 -2.312 -9.768 285 HA HIS 38 HA HIS 38 5.094 -2.151 -11.096 286 HD2 HIS 38 HD2 HIS 38 6.587 -0.208 -11.721 287 HE1 HIS 38 HE1 HIS 38 8.376 1.732 -8.413 288 HE2 HIS 38 HE2 HIS 38 8.701 0.907 -10.766 289 HB2 HIS 38 HB2 HIS 38 3.904 -0.180 -10.149 290 HB3 HIS 38 HB1 HIS 38 4.322 -0.755 -8.537 291 H ILE 39 HN ILE 39 4.733 -2.402 -7.600 292 HA ILE 39 HA ILE 39 6.954 -4.298 -7.513 293 HB ILE 39 HB ILE 39 7.048 -1.500 -6.404 294 HG12 ILE 39 HG12 ILE 39 7.836 -1.912 -8.716 295 HG13 ILE 39 HG11 ILE 39 9.103 -1.313 -7.648 296 HG21 ILE 39 HG21 ILE 39 7.724 -2.944 -4.599 297 HG22 ILE 39 HG22 ILE 39 9.128 -2.099 -5.251 298 HG23 ILE 39 HG23 ILE 39 8.850 -3.792 -5.659 299 HD11 ILE 39 HD11 ILE 39 9.891 -3.078 -9.150 300 HD12 ILE 39 HD12 ILE 39 8.711 -4.189 -8.452 301 HD13 ILE 39 HD13 ILE 39 10.018 -3.550 -7.455 302 H PHE 40 HN PHE 40 6.853 -5.667 -5.838 303 HA PHE 40 HA PHE 40 4.774 -5.430 -3.841 304 HD1 PHE 40 HD1 PHE 40 6.603 -7.739 -6.557 305 HD2 PHE 40 HD2 PHE 40 3.519 -8.316 -3.682 306 HE1 PHE 40 HE1 PHE 40 5.271 -8.946 -8.237 307 HE2 PHE 40 HE2 PHE 40 2.178 -9.519 -5.359 308 HZ PHE 40 HZ PHE 40 3.054 -9.835 -7.639 309 HB2 PHE 40 HB2 PHE 40 7.007 -7.461 -4.148 310 HB3 PHE 40 HB1 PHE 40 5.680 -7.583 -3.001 311 H ILE 41 HN ILE 41 5.044 -4.725 -1.771 312 HA ILE 41 HA ILE 41 7.766 -3.877 -1.016 313 HB ILE 41 HB ILE 41 5.246 -2.338 -0.380 314 HG12 ILE 41 HG12 ILE 41 7.287 -1.658 -2.502 315 HG13 ILE 41 HG11 ILE 41 5.761 -2.463 -2.854 316 HG21 ILE 41 HG21 ILE 41 7.091 -1.961 1.159 317 HG22 ILE 41 HG22 ILE 41 6.821 -0.529 0.164 318 HG23 ILE 41 HG23 ILE 41 8.167 -1.611 -0.192 319 HD11 ILE 41 HD11 ILE 41 6.064 0.259 -1.611 320 HD12 ILE 41 HD12 ILE 41 4.543 -0.543 -2.005 321 HD13 ILE 41 HD13 ILE 41 5.652 -0.074 -3.294 322 H ASP 42 HN ASP 42 7.905 -5.822 0.274 323 HA ASP 42 HA ASP 42 6.253 -5.692 2.702 324 HB2 ASP 42 HB2 ASP 42 6.791 -7.994 3.137 325 HB3 ASP 42 HB1 ASP 42 6.270 -7.877 1.461 326 H MET 43 HN MET 43 7.158 -5.322 4.641 327 HA MET 43 HA MET 43 9.863 -4.292 4.627 328 HB2 MET 43 HB2 MET 43 7.828 -4.454 6.858 329 HB3 MET 43 HB1 MET 43 9.368 -3.608 6.948 330 HG2 MET 43 HG2 MET 43 8.641 -2.111 5.156 331 HG3 MET 43 HG1 MET 43 7.093 -2.954 5.088 332 HE1 MET 43 HE1 MET 43 7.222 0.160 5.405 333 HE2 MET 43 HE2 MET 43 6.043 0.429 6.690 334 HE3 MET 43 HE3 MET 43 5.714 -0.753 5.424 335 H GLY 44 HN GLY 44 8.087 -6.668 6.594 336 HA2 GLY 44 HA2 GLY 44 8.770 -8.618 7.583 337 HA3 GLY 44 HA1 GLY 44 10.134 -8.610 6.474 338 H SER 45 HN SER 45 12.082 -7.686 7.108 339 HA SER 45 HA SER 45 12.639 -7.899 9.897 340 HG SER 45 HG SER 45 13.712 -8.977 7.232 341 HB2 SER 45 HB2 SER 45 14.403 -6.858 7.671 342 HB3 SER 45 HB1 SER 45 14.940 -7.397 9.260 343 H THR 46 HN THR 46 12.117 -5.203 7.690 344 HA THR 46 HA THR 46 13.065 -3.331 9.720 345 HB THR 46 HB THR 46 12.767 -1.616 7.906 346 HG1 THR 46 HG1 THR 46 11.922 -2.194 6.052 347 HG21 THR 46 HG21 THR 46 14.735 -2.331 6.627 348 HG22 THR 46 HG22 THR 46 14.560 -3.962 7.274 349 HG23 THR 46 HG23 THR 46 14.948 -2.623 8.354 350 H ASP 47 HN ASP 47 11.817 -1.344 10.088 351 HA ASP 47 HA ASP 47 8.910 -1.817 10.006 352 HB2 ASP 47 HB2 ASP 47 8.731 -0.330 11.947 353 HB3 ASP 47 HB1 ASP 47 9.812 -1.673 12.293 354 H GLU 48 HN GLU 48 10.787 -0.698 8.027 355 HA GLU 48 HA GLU 48 9.081 1.377 7.068 356 HB2 GLU 48 HB2 GLU 48 10.812 3.114 6.862 357 HB3 GLU 48 HB1 GLU 48 10.495 2.736 8.550 358 HG2 GLU 48 HG2 GLU 48 12.505 1.397 8.660 359 HG3 GLU 48 HG1 GLU 48 12.807 1.668 6.944 360 H LYS 49 HN LYS 49 9.573 1.820 4.799 361 HA LYS 49 HA LYS 49 11.855 0.615 3.561 362 HB2 LYS 49 HB2 LYS 49 10.224 -1.325 3.991 363 HB3 LYS 49 HB1 LYS 49 9.208 -0.583 2.761 364 HG2 LYS 49 HG2 LYS 49 11.100 -0.762 1.168 365 HG3 LYS 49 HG1 LYS 49 12.009 -1.632 2.404 366 HD2 LYS 49 HD2 LYS 49 10.133 -3.290 2.487 367 HD3 LYS 49 HD1 LYS 49 9.435 -2.477 1.086 368 HE2 LYS 49 HE2 LYS 49 10.683 -4.377 0.323 369 HE3 LYS 49 HE1 LYS 49 11.547 -2.912 -0.149 370 HZ1 LYS 49 HZ1 LYS 49 12.196 -4.451 2.303 371 HZ2 LYS 49 HZ2 LYS 49 13.118 -3.230 1.575 372 HZ3 LYS 49 HZ3 LYS 49 12.950 -4.736 0.812 373 H ILE 50 HN ILE 50 12.152 1.341 1.461 374 HA ILE 50 HA ILE 50 10.152 3.274 0.512 375 HB ILE 50 HB ILE 50 12.423 4.193 0.976 376 HG12 ILE 50 HG12 ILE 50 11.641 4.216 -1.947 377 HG13 ILE 50 HG11 ILE 50 10.947 5.243 -0.698 378 HG21 ILE 50 HG21 ILE 50 13.289 2.408 -1.296 379 HG22 ILE 50 HG22 ILE 50 13.747 2.227 0.399 380 HG23 ILE 50 HG23 ILE 50 14.281 3.640 -0.515 381 HD11 ILE 50 HD11 ILE 50 12.599 6.424 -2.051 382 HD12 ILE 50 HD12 ILE 50 13.829 5.257 -1.565 383 HD13 ILE 50 HD13 ILE 50 13.094 6.319 -0.363 384 H CYS 51 HN CYS 51 9.356 3.095 -1.576 385 HA CYS 51 HA CYS 51 9.870 0.544 -2.897 386 HB2 CYS 51 HB2 CYS 51 7.531 1.096 -2.606 387 HB3 CYS 51 HB1 CYS 51 7.763 2.662 -3.375 388 HA PRO 52 HA PRO 52 12.744 2.550 -5.683 389 HB2 PRO 52 HB2 PRO 52 12.707 0.412 -7.462 390 HB3 PRO 52 HB1 PRO 52 13.807 0.581 -6.090 391 HG2 PRO 52 HG2 PRO 52 11.279 -0.990 -6.315 392 HG3 PRO 52 HG1 PRO 52 12.785 -1.397 -5.471 393 HD2 PRO 52 HD2 PRO 52 10.619 -0.551 -4.140 394 HD3 PRO 52 HD1 PRO 52 12.257 -0.084 -3.633 395 H TYR 53 HN TYR 53 12.513 3.669 -7.549 396 HA TYR 53 HA TYR 53 11.563 4.650 -9.351 397 HD1 TYR 53 HD1 TYR 53 12.267 3.688 -11.943 398 HD2 TYR 53 HD2 TYR 53 11.661 0.460 -9.239 399 HE1 TYR 53 HE1 TYR 53 14.266 2.572 -12.833 400 HE2 TYR 53 HE2 TYR 53 13.658 -0.665 -10.127 401 HH TYR 53 HH TYR 53 15.904 0.914 -12.153 402 HB2 TYR 53 HB2 TYR 53 9.955 2.097 -9.544 403 HB3 TYR 53 HB1 TYR 53 10.081 3.321 -10.802 404 H CYS 54 HN CYS 54 10.173 4.450 -6.549 405 HA CYS 54 HA CYS 54 7.902 6.106 -7.401 406 HB2 CYS 54 HB2 CYS 54 7.837 3.996 -5.229 407 HB3 CYS 54 HB1 CYS 54 6.592 5.223 -5.448 408 H SER 55 HN SER 55 9.827 5.083 -4.583 409 HA SER 55 HA SER 55 10.556 6.163 -2.742 410 HG SER 55 HG SER 55 12.810 7.689 -5.049 411 HB2 SER 55 HB2 SER 55 10.773 8.456 -4.706 412 HB3 SER 55 HB1 SER 55 11.539 8.411 -3.117 413 H THR 56 HN THR 56 8.680 6.028 -1.528 414 HA THR 56 HA THR 56 7.393 8.503 -0.899 415 HB THR 56 HB THR 56 5.629 6.121 -1.482 416 HG1 THR 56 HG1 THR 56 6.668 8.024 -3.300 417 HG21 THR 56 HG21 THR 56 5.082 9.091 -1.478 418 HG22 THR 56 HG22 THR 56 4.810 8.015 -0.108 419 HG23 THR 56 HG23 THR 56 3.888 7.796 -1.598 420 H LEU 57 HN LEU 57 9.087 7.677 0.656 421 HA LEU 57 HA LEU 57 9.517 5.317 1.745 422 HG LEU 57 HG LEU 57 9.746 5.851 4.778 423 HB2 LEU 57 HB2 LEU 57 10.737 7.346 2.351 424 HB3 LEU 57 HB1 LEU 57 9.392 7.868 3.348 425 HD11 LEU 57 HD11 LEU 57 12.221 5.534 3.088 426 HD12 LEU 57 HD12 LEU 57 10.854 4.422 3.163 427 HD13 LEU 57 HD13 LEU 57 11.879 4.656 4.578 428 HD21 LEU 57 HD21 LEU 57 10.652 8.024 5.414 429 HD22 LEU 57 HD22 LEU 57 12.114 7.698 4.482 430 HD23 LEU 57 HD23 LEU 57 11.734 6.722 5.901 431 H TYR 58 HN TYR 58 8.282 3.780 2.476 432 HA TYR 58 HA TYR 58 5.744 4.405 3.718 433 HD1 TYR 58 HD2 TYR 58 3.736 3.133 1.992 434 HD2 TYR 58 HD1 TYR 58 7.714 2.188 0.825 435 HE1 TYR 58 HE2 TYR 58 3.133 3.522 -0.361 436 HE2 TYR 58 HE1 TYR 58 7.126 2.577 -1.526 437 HH TYR 58 HH TYR 58 4.190 4.059 -2.471 438 HB2 TYR 58 HB2 TYR 58 6.967 1.714 3.052 439 HB3 TYR 58 HB1 TYR 58 5.298 2.008 3.536 440 H ARG 59 HN ARG 59 5.761 4.880 5.754 441 HA ARG 59 HA ARG 59 7.828 3.755 7.505 442 HE ARG 59 HE ARG 59 9.490 6.590 11.125 443 HB2 ARG 59 HB2 ARG 59 7.668 6.211 7.325 444 HB3 ARG 59 HB1 ARG 59 6.006 6.139 7.887 445 HG2 ARG 59 HG2 ARG 59 7.358 6.799 9.719 446 HG3 ARG 59 HG1 ARG 59 6.850 5.133 10.005 447 HD2 ARG 59 HD2 ARG 59 8.986 4.293 9.342 448 HD3 ARG 59 HD1 ARG 59 9.500 5.891 8.798 449 HH11 ARG 59 HH11 ARG 59 9.355 3.154 10.514 450 HH12 ARG 59 HH12 ARG 59 10.033 2.711 12.051 451 HH21 ARG 59 HH21 ARG 59 10.355 6.042 13.161 452 HH22 ARG 59 HH22 ARG 59 10.597 4.364 13.570 453 H TYR 60 HN TYR 60 7.257 2.161 8.840 454 HA TYR 60 HA TYR 60 4.443 1.763 9.479 455 HD1 TYR 60 HD2 TYR 60 3.472 -1.035 9.247 456 HD2 TYR 60 HD1 TYR 60 6.357 -0.607 12.342 457 HE1 TYR 60 HE2 TYR 60 2.119 -2.485 10.704 458 HE2 TYR 60 HE1 TYR 60 5.015 -2.055 13.804 459 HH TYR 60 HH TYR 60 2.637 -2.766 14.019 460 HB2 TYR 60 HB2 TYR 60 5.739 -0.197 8.782 461 HB3 TYR 60 HB1 TYR 60 6.877 0.070 10.095 462 H ASP 61 HN ASP 61 3.933 3.312 10.950 463 HA ASP 61 HA ASP 61 5.549 3.578 13.358 464 HB2 ASP 61 HB2 ASP 61 3.121 5.038 12.335 465 HB3 ASP 61 HB1 ASP 61 3.696 5.246 13.984 466 HA PRO 62 HA PRO 62 3.201 0.457 15.448 467 HB2 PRO 62 HB2 PRO 62 4.110 1.766 17.928 468 HB3 PRO 62 HB1 PRO 62 4.411 0.125 17.350 469 HG2 PRO 62 HG2 PRO 62 6.344 1.979 17.373 470 HG3 PRO 62 HG1 PRO 62 6.236 0.761 16.087 471 HD2 PRO 62 HD2 PRO 62 5.416 3.640 16.051 472 HD3 PRO 62 HD1 PRO 62 6.231 2.683 14.796 473 H SER 63 HN SER 63 2.725 3.825 15.771 474 HA SER 63 HA SER 63 0.453 3.638 17.551 475 HG SER 63 HG SER 63 2.470 6.567 17.901 476 HB2 SER 63 HB2 SER 63 1.276 6.028 15.895 477 HB3 SER 63 HB1 SER 63 0.373 6.016 17.411 478 H LEU 64 HN LEU 64 1.013 3.084 14.301 479 HA LEU 64 HA LEU 64 -1.563 4.064 13.383 480 HG LEU 64 HG LEU 64 1.322 4.881 12.532 481 HB2 LEU 64 HB2 LEU 64 0.629 2.611 11.902 482 HB3 LEU 64 HB1 LEU 64 -0.828 3.261 11.172 483 HD11 LEU 64 HD11 LEU 64 1.833 5.679 10.286 484 HD12 LEU 64 HD12 LEU 64 0.618 4.590 9.618 485 HD13 LEU 64 HD13 LEU 64 2.054 3.933 10.406 486 HD21 LEU 64 HD21 LEU 64 -1.142 5.756 11.037 487 HD22 LEU 64 HD22 LEU 64 0.124 6.819 11.651 488 HD23 LEU 64 HD23 LEU 64 -0.878 5.898 12.773 489 H SER 65 HN SER 65 -2.763 2.505 11.890 490 HA SER 65 HA SER 65 -2.792 -0.244 12.785 491 HG SER 65 HG SER 65 -3.019 0.811 14.842 492 HB2 SER 65 HB2 SER 65 -5.143 1.597 13.318 493 HB3 SER 65 HB1 SER 65 -5.112 -0.144 13.598 494 H TYR 66 HN TYR 66 -5.428 -0.798 11.876 495 HA TYR 66 HA TYR 66 -4.960 -0.988 9.092 496 HD1 TYR 66 HD2 TYR 66 -5.711 -3.839 8.588 497 HD2 TYR 66 HD1 TYR 66 -8.891 -1.017 8.407 498 HE1 TYR 66 HE2 TYR 66 -6.473 -4.844 6.479 499 HE2 TYR 66 HE1 TYR 66 -9.661 -2.015 6.294 500 HH TYR 66 HH TYR 66 -8.551 -5.013 5.170 501 HB2 TYR 66 HB2 TYR 66 -6.351 -2.547 10.548 502 HB3 TYR 66 HB1 TYR 66 -7.629 -1.341 10.460 503 H ASN 67 HN ASN 67 -7.014 1.144 11.044 504 HA ASN 67 HA ASN 67 -7.992 2.461 8.627 505 HB2 ASN 67 HB2 ASN 67 -8.744 2.821 11.535 506 HB3 ASN 67 HB1 ASN 67 -9.436 3.760 10.215 507 HD21 ASN 67 HD21 ASN 67 -9.297 0.675 11.778 508 HD22 ASN 67 HD22 ASN 67 -10.631 -0.045 10.937 509 H GLN 68 HN GLN 68 -6.244 3.360 11.612 510 HA GLN 68 HA GLN 68 -5.604 5.955 10.493 511 HB2 GLN 68 HB2 GLN 68 -4.796 4.610 13.074 512 HB3 GLN 68 HB1 GLN 68 -4.202 6.194 12.590 513 HG2 GLN 68 HG2 GLN 68 -6.617 6.911 12.448 514 HG3 GLN 68 HG1 GLN 68 -7.021 5.393 13.250 515 HE21 GLN 68 HE21 GLN 68 -7.845 6.459 15.050 516 HE22 GLN 68 HE22 GLN 68 -6.822 7.242 16.204 517 H THR 69 HN THR 69 -3.990 6.240 9.120 518 HA THR 69 HA THR 69 -1.523 4.764 9.396 519 HB THR 69 HB THR 69 -2.704 3.150 8.118 520 HG1 THR 69 HG1 THR 69 -0.671 4.539 6.999 521 HG21 THR 69 HG21 THR 69 -3.403 5.121 5.968 522 HG22 THR 69 HG22 THR 69 -4.472 4.868 7.352 523 HG23 THR 69 HG23 THR 69 -4.080 3.523 6.282 524 H ASN 70 HN ASN 70 -3.239 6.675 6.996 525 HA ASN 70 HA ASN 70 -1.476 8.899 7.338 526 HB2 ASN 70 HB2 ASN 70 -0.937 9.052 4.916 527 HB3 ASN 70 HB1 ASN 70 -0.245 7.611 5.651 528 HD21 ASN 70 HD21 ASN 70 -0.985 5.607 5.051 529 HD22 ASN 70 HD22 ASN 70 -2.009 5.362 3.682 530 HA PRO 71 HA PRO 71 -5.094 11.235 6.449 531 HB2 PRO 71 HB2 PRO 71 -4.289 12.994 4.485 532 HB3 PRO 71 HB1 PRO 71 -3.957 13.194 6.209 533 HG2 PRO 71 HG2 PRO 71 -2.193 12.113 4.049 534 HG3 PRO 71 HG1 PRO 71 -1.783 13.181 5.406 535 HD2 PRO 71 HD2 PRO 71 -1.204 10.548 5.452 536 HD3 PRO 71 HD1 PRO 71 -1.692 11.422 6.921 537 H THR 72 HN THR 72 -6.887 10.891 5.323 538 HA THR 72 HA THR 72 -8.337 10.421 3.624 539 HB THR 72 HB THR 72 -5.940 10.145 1.791 540 HG1 THR 72 HG1 THR 72 -5.900 12.245 2.300 541 HG21 THR 72 HG21 THR 72 -7.988 9.074 0.946 542 HG22 THR 72 HG22 THR 72 -7.555 10.493 -0.008 543 HG23 THR 72 HG23 THR 72 -8.865 10.588 1.169 544 H GLY 73 HN GLY 73 -9.313 8.526 3.019 545 HA2 GLY 73 HA2 GLY 73 -8.492 6.110 4.126 546 HA3 GLY 73 HA1 GLY 73 -9.682 6.266 2.844 547 H CYS 74 HN CYS 74 -6.689 5.045 3.677 548 HA CYS 74 HA CYS 74 -5.374 5.250 1.145 549 HG CYS 74 HG CYS 74 -3.771 2.895 4.844 550 HB2 CYS 74 HB2 CYS 74 -3.686 3.793 2.145 551 HB3 CYS 74 HB1 CYS 74 -4.120 5.090 3.253 552 H LEU 75 HN LEU 75 -7.844 3.269 2.289 553 HA LEU 75 HA LEU 75 -7.151 0.922 0.780 554 HG LEU 75 HG LEU 75 -9.323 -0.334 3.488 555 HB2 LEU 75 HB2 LEU 75 -9.650 1.786 2.217 556 HB3 LEU 75 HB1 LEU 75 -9.616 0.342 1.224 557 HD11 LEU 75 HD11 LEU 75 -7.124 -1.411 3.421 558 HD12 LEU 75 HD12 LEU 75 -6.662 -0.364 2.079 559 HD13 LEU 75 HD13 LEU 75 -7.968 -1.531 1.876 560 HD21 LEU 75 HD21 LEU 75 -8.636 1.772 4.464 561 HD22 LEU 75 HD22 LEU 75 -7.081 1.673 3.639 562 HD23 LEU 75 HD23 LEU 75 -7.487 0.503 4.896 563 H TYR 76 HN TYR 76 -7.605 0.505 -1.308 564 HA TYR 76 HA TYR 76 -8.761 2.641 -2.859 565 HD1 TYR 76 HD2 TYR 76 -8.368 3.385 -5.004 566 HD2 TYR 76 HD1 TYR 76 -8.283 -0.789 -5.832 567 HE1 TYR 76 HE2 TYR 76 -9.160 3.827 -7.290 568 HE2 TYR 76 HE1 TYR 76 -9.080 -0.356 -8.119 569 HH TYR 76 HH TYR 76 -9.106 2.741 -9.497 570 HB2 TYR 76 HB2 TYR 76 -6.817 1.439 -3.733 571 HB3 TYR 76 HB1 TYR 76 -7.721 -0.072 -3.713 572 H ASN 77 HN ASN 77 -10.854 2.795 -2.402 573 HA ASN 77 HA ASN 77 -12.564 0.491 -3.053 574 HB2 ASN 77 HB2 ASN 77 -14.195 1.341 -1.444 575 HB3 ASN 77 HB1 ASN 77 -12.646 1.095 -0.649 576 HD21 ASN 77 HD21 ASN 77 -11.414 2.899 -0.044 577 HD22 ASN 77 HD22 ASN 77 -12.133 4.459 0.132 578 HA PRO 78 HA PRO 78 -14.439 2.834 -6.271 579 HB2 PRO 78 HB2 PRO 78 -17.095 2.182 -5.117 580 HB3 PRO 78 HB1 PRO 78 -16.464 1.872 -6.738 581 HG2 PRO 78 HG2 PRO 78 -16.713 -0.112 -4.979 582 HG3 PRO 78 HG1 PRO 78 -15.319 -0.032 -6.072 583 HD2 PRO 78 HD2 PRO 78 -15.495 0.674 -3.171 584 HD3 PRO 78 HD1 PRO 78 -14.190 -0.147 -4.052 585 H LYS 79 HN LYS 79 -13.889 4.915 -5.755 586 HA LYS 79 HA LYS 79 -15.501 6.465 -3.910 587 HB2 LYS 79 HB2 LYS 79 -13.230 7.305 -5.733 588 HB3 LYS 79 HB1 LYS 79 -13.970 8.314 -4.496 589 HG2 LYS 79 HG2 LYS 79 -13.132 6.921 -2.752 590 HG3 LYS 79 HG1 LYS 79 -12.603 5.698 -3.905 591 HD2 LYS 79 HD2 LYS 79 -11.489 8.489 -3.636 592 HD3 LYS 79 HD1 LYS 79 -10.712 7.002 -3.092 593 HE2 LYS 79 HE2 LYS 79 -10.835 6.219 -5.498 594 HE3 LYS 79 HE1 LYS 79 -11.287 7.870 -5.917 595 HZ1 LYS 79 HZ1 LYS 79 -8.962 7.662 -6.219 596 HZ2 LYS 79 HZ2 LYS 79 -8.745 6.949 -4.700 597 HZ3 LYS 79 HZ3 LYS 79 -9.173 8.588 -4.809 598 H LEU 80 HN LEU 80 -17.517 6.564 -4.789 599 HA LEU 80 HA LEU 80 -17.898 7.083 -7.599 600 HG LEU 80 HG LEU 80 -20.865 7.898 -7.424 601 HB2 LEU 80 HB2 LEU 80 -19.344 5.528 -6.333 602 HB3 LEU 80 HB1 LEU 80 -19.922 6.873 -5.369 603 HD11 LEU 80 HD11 LEU 80 -21.064 6.534 -9.443 604 HD12 LEU 80 HD12 LEU 80 -20.060 5.287 -8.700 605 HD13 LEU 80 HD13 LEU 80 -19.377 6.874 -9.057 606 HD21 LEU 80 HD21 LEU 80 -22.281 6.575 -5.973 607 HD22 LEU 80 HD22 LEU 80 -21.787 5.096 -6.798 608 HD23 LEU 80 HD23 LEU 80 -22.729 6.315 -7.658 609 H GLU 81 HN GLU 81 -17.954 8.868 -4.628 610 HA GLU 81 HA GLU 81 -18.359 11.031 -4.093 611 HB2 GLU 81 HB2 GLU 81 -17.327 11.152 -6.844 612 HB3 GLU 81 HB1 GLU 81 -18.245 12.566 -6.344 613 HG2 GLU 81 HG2 GLU 81 -15.848 11.416 -4.936 614 HG3 GLU 81 HG1 GLU 81 -15.881 12.873 -5.930 615 H HIS 82 HN HIS 82 -20.561 10.259 -3.682 616 HA HIS 82 HA HIS 82 -22.599 10.857 -5.615 617 HD1 HIS 82 HD1 HIS 82 -24.991 9.283 -5.645 618 HD2 HIS 82 HD2 HIS 82 -25.303 11.346 -2.049 619 HE1 HIS 82 HE1 HIS 82 -27.438 9.786 -5.363 620 HE2 HIS 82 HE2 HIS 82 -27.617 10.828 -3.073 621 HB2 HIS 82 HB2 HIS 82 -22.896 9.070 -3.930 622 HB3 HIS 82 HB1 HIS 82 -22.866 10.276 -2.651 623 H HIS 83 HN HIS 83 -22.501 12.072 -2.283 624 HA HIS 83 HA HIS 83 -23.227 14.079 -1.435 625 HD1 HIS 83 HD1 HIS 83 -20.567 15.540 0.116 626 HD2 HIS 83 HD2 HIS 83 -19.556 12.813 -2.865 627 HE1 HIS 83 HE1 HIS 83 -18.628 14.220 1.025 628 HE2 HIS 83 HE2 HIS 83 -17.921 12.708 -0.863 629 HB2 HIS 83 HB2 HIS 83 -21.226 15.061 -3.487 630 HB3 HIS 83 HB1 HIS 83 -21.777 15.961 -2.081 631 H HIS 84 HN HIS 84 -22.790 16.455 -3.527 632 HA HIS 84 HA HIS 84 -24.009 17.687 -4.973 633 HD1 HIS 84 HD1 HIS 84 -27.099 15.368 -7.146 634 HD2 HIS 84 HD2 HIS 84 -24.260 18.315 -7.885 635 HE1 HIS 84 HE1 HIS 84 -28.086 16.827 -8.939 636 HE2 HIS 84 HE2 HIS 84 -26.275 18.482 -9.499 637 HB2 HIS 84 HB2 HIS 84 -23.570 15.817 -6.482 638 HB3 HIS 84 HB1 HIS 84 -24.997 14.979 -5.884 639 H HIS 85 HN HIS 85 -25.252 18.742 -3.468 640 HA HIS 85 HA HIS 85 -27.805 17.683 -2.632 641 HD1 HIS 85 HD1 HIS 85 -24.609 20.686 -2.557 642 HD2 HIS 85 HD2 HIS 85 -28.499 22.166 -2.523 643 HE1 HIS 85 HE1 HIS 85 -24.439 23.072 -3.337 644 HE2 HIS 85 HE2 HIS 85 -26.825 23.865 -3.524 645 HB2 HIS 85 HB2 HIS 85 -28.049 19.697 -1.360 646 HB3 HIS 85 HB1 HIS 85 -26.362 19.220 -1.224 647 H HIS 86 HN HIS 86 -29.849 18.738 -3.095 648 HA HIS 86 HA HIS 86 -29.889 19.998 -5.752 649 HD1 HIS 86 HD1 HIS 86 -32.896 16.469 -4.829 650 HD2 HIS 86 HD2 HIS 86 -29.605 17.861 -6.961 651 HE1 HIS 86 HE1 HIS 86 -31.993 14.473 -6.067 652 HE2 HIS 86 HE2 HIS 86 -29.896 15.296 -7.190 653 HB2 HIS 86 HB2 HIS 86 -32.165 18.803 -4.147 654 HB3 HIS 86 HB1 HIS 86 -32.307 19.495 -5.757 655 H HIS 87 HN HIS 87 -31.398 20.255 -2.556 656 HA HIS 87 HA HIS 87 -30.832 23.031 -2.331 657 HD1 HIS 87 HD1 HIS 87 -35.000 23.467 -1.013 658 HD2 HIS 87 HD2 HIS 87 -32.027 25.828 -2.705 659 HE1 HIS 87 HE1 HIS 87 -35.350 25.773 -0.071 660 HE2 HIS 87 HE2 HIS 87 -33.654 27.222 -1.241 661 HB2 HIS 87 HB2 HIS 87 -32.750 23.231 -3.858 662 HB3 HIS 87 HB1 HIS 87 -33.730 22.254 -2.770 Start of MODEL 16 1 HA MET 1 HA MET 1 -5.379 -15.575 2.460 2 H1 MET 1 HT1 MET 1 -4.891 -17.965 2.592 3 H2 MET 1 HT2 MET 1 -4.791 -17.168 4.083 4 H3 MET 1 HT3 MET 1 -3.372 -17.595 3.258 5 HB2 MET 1 HB2 MET 1 -2.453 -15.381 3.205 6 HB3 MET 1 HB1 MET 1 -3.406 -14.047 2.573 7 HG2 MET 1 HG2 MET 1 -4.831 -14.088 4.512 8 HG3 MET 1 HG1 MET 1 -4.006 -15.519 5.127 9 HE1 MET 1 HE1 MET 1 -2.057 -11.340 4.805 10 HE2 MET 1 HE2 MET 1 -3.737 -11.674 4.387 11 HE3 MET 1 HE3 MET 1 -2.435 -12.330 3.393 12 H ALA 2 HN ALA 2 -5.835 -16.296 0.416 13 HA ALA 2 HA ALA 2 -3.565 -16.246 -1.463 14 HB1 ALA 2 HB1 ALA 2 -6.101 -17.866 -1.724 15 HB2 ALA 2 HB2 ALA 2 -4.517 -18.504 -1.281 16 HB3 ALA 2 HB3 ALA 2 -4.773 -17.816 -2.885 17 H ASP 3 HN ASP 3 -3.613 -14.377 -2.456 18 HA ASP 3 HA ASP 3 -4.319 -12.410 -3.329 19 HB2 ASP 3 HB2 ASP 3 -5.772 -12.618 -5.311 20 HB3 ASP 3 HB1 ASP 3 -4.485 -13.811 -5.286 21 H TYR 4 HN TYR 4 -5.409 -12.656 -0.878 22 HA TYR 4 HA TYR 4 -8.229 -12.160 -0.860 23 HD1 TYR 4 HD2 TYR 4 -9.570 -12.949 1.420 24 HD2 TYR 4 HD1 TYR 4 -6.934 -9.786 2.499 25 HE1 TYR 4 HE2 TYR 4 -11.299 -12.020 2.904 26 HE2 TYR 4 HE1 TYR 4 -8.654 -8.851 3.985 27 HH TYR 4 HH TYR 4 -11.402 -10.562 4.934 28 HB2 TYR 4 HB2 TYR 4 -7.043 -13.076 1.101 29 HB3 TYR 4 HB1 TYR 4 -6.115 -11.590 1.239 30 H ASN 5 HN ASN 5 -9.304 -10.181 -0.637 31 HA ASN 5 HA ASN 5 -8.258 -8.070 -2.138 32 HB2 ASN 5 HB2 ASN 5 -10.231 -6.788 -1.453 33 HB3 ASN 5 HB1 ASN 5 -10.666 -8.432 -1.898 34 HD21 ASN 5 HD21 ASN 5 -10.459 -6.113 0.663 35 HD22 ASN 5 HD22 ASN 5 -11.332 -7.026 1.843 36 H ILE 6 HN ILE 6 -6.882 -6.527 -1.690 37 HA ILE 6 HA ILE 6 -6.498 -5.766 1.128 38 HB ILE 6 HB ILE 6 -4.229 -5.019 0.505 39 HG12 ILE 6 HG12 ILE 6 -4.780 -6.383 -2.141 40 HG13 ILE 6 HG11 ILE 6 -4.699 -4.639 -1.907 41 HG21 ILE 6 HG21 ILE 6 -3.237 -7.258 0.294 42 HG22 ILE 6 HG22 ILE 6 -4.824 -7.909 -0.117 43 HG23 ILE 6 HG23 ILE 6 -4.542 -7.217 1.480 44 HD11 ILE 6 HD11 ILE 6 -2.363 -4.841 -1.226 45 HD12 ILE 6 HD12 ILE 6 -2.633 -5.495 -2.842 46 HD13 ILE 6 HD13 ILE 6 -2.446 -6.586 -1.470 47 HA PRO 7 HA PRO 7 -7.771 -1.636 0.227 48 HB2 PRO 7 HB2 PRO 7 -5.813 -0.185 1.528 49 HB3 PRO 7 HB1 PRO 7 -7.228 -0.892 2.313 50 HG2 PRO 7 HG2 PRO 7 -4.430 -1.923 2.164 51 HG3 PRO 7 HG1 PRO 7 -5.570 -1.958 3.523 52 HD2 PRO 7 HD2 PRO 7 -5.099 -4.138 2.024 53 HD3 PRO 7 HD1 PRO 7 -6.712 -3.791 2.684 54 H HIS 8 HN HIS 8 -7.469 -0.243 -1.442 55 HA HIS 8 HA HIS 8 -4.879 -0.405 -2.828 56 HD1 HIS 8 HD1 HIS 8 -8.842 -1.584 -5.035 57 HD2 HIS 8 HD2 HIS 8 -5.007 -2.668 -3.824 58 HE1 HIS 8 HE1 HIS 8 -8.703 -4.077 -5.354 59 HE2 HIS 8 HE2 HIS 8 -6.472 -4.733 -4.384 60 HB2 HIS 8 HB2 HIS 8 -7.607 0.299 -3.940 61 HB3 HIS 8 HB1 HIS 8 -6.108 0.268 -4.867 62 H PHE 9 HN PHE 9 -4.096 1.548 -3.853 63 HA PHE 9 HA PHE 9 -4.885 3.936 -2.323 64 HD1 PHE 9 HD2 PHE 9 -3.038 3.914 0.053 65 HD2 PHE 9 HD1 PHE 9 -1.858 6.007 -3.458 66 HE1 PHE 9 HE2 PHE 9 -2.535 5.902 1.414 67 HE2 PHE 9 HE1 PHE 9 -1.354 7.996 -2.107 68 HZ PHE 9 HZ PHE 9 -1.690 7.948 0.332 69 HB2 PHE 9 HB2 PHE 9 -2.541 2.741 -2.012 70 HB3 PHE 9 HB1 PHE 9 -2.141 3.622 -3.481 71 H GLN 10 HN GLN 10 -4.524 5.994 -3.466 72 HA GLN 10 HA GLN 10 -4.550 5.720 -6.392 73 HB2 GLN 10 HB2 GLN 10 -6.185 7.623 -6.444 74 HB3 GLN 10 HB1 GLN 10 -6.833 6.127 -5.787 75 HG2 GLN 10 HG2 GLN 10 -6.624 6.971 -3.535 76 HG3 GLN 10 HG1 GLN 10 -5.834 8.432 -4.127 77 HE21 GLN 10 HE21 GLN 10 -7.395 9.764 -3.211 78 HE22 GLN 10 HE22 GLN 10 -8.988 9.900 -3.876 79 H ASN 11 HN ASN 11 -3.425 7.323 -7.525 80 HA ASN 11 HA ASN 11 -1.976 9.217 -5.806 81 HB2 ASN 11 HB2 ASN 11 -0.001 8.982 -7.186 82 HB3 ASN 11 HB1 ASN 11 -0.508 7.396 -6.624 83 HD21 ASN 11 HD21 ASN 11 0.137 9.374 -9.330 84 HD22 ASN 11 HD22 ASN 11 -0.224 8.213 -10.556 85 H ASP 12 HN ASP 12 -2.705 11.175 -6.122 86 HA ASP 12 HA ASP 12 -3.650 12.028 -8.734 87 HB2 ASP 12 HB2 ASP 12 -4.935 12.751 -6.811 88 HB3 ASP 12 HB1 ASP 12 -3.503 13.455 -6.068 89 H LEU 13 HN LEU 13 -1.469 13.535 -6.374 90 HA LEU 13 HA LEU 13 0.100 14.664 -8.563 91 HG LEU 13 HG LEU 13 0.943 14.386 -4.945 92 HB2 LEU 13 HB2 LEU 13 1.117 16.088 -6.877 93 HB3 LEU 13 HB1 LEU 13 -0.630 16.185 -6.780 94 HD11 LEU 13 HD11 LEU 13 0.212 17.274 -4.484 95 HD12 LEU 13 HD12 LEU 13 1.843 16.646 -4.722 96 HD13 LEU 13 HD13 LEU 13 0.917 16.178 -3.294 97 HD21 LEU 13 HD21 LEU 13 -1.004 14.649 -3.500 98 HD22 LEU 13 HD22 LEU 13 -1.477 14.022 -5.079 99 HD23 LEU 13 HD23 LEU 13 -1.754 15.719 -4.686 100 H GLY 14 HN GLY 14 0.110 11.969 -6.630 101 HA2 GLY 14 HA2 GLY 14 1.817 10.292 -6.840 102 HA3 GLY 14 HA1 GLY 14 2.999 11.583 -7.023 103 H TYR 15 HN TYR 15 2.803 9.284 -5.117 104 HA TYR 15 HA TYR 15 3.059 10.856 -2.647 105 HD1 TYR 15 HD2 TYR 15 0.225 9.279 -4.550 106 HD2 TYR 15 HD1 TYR 15 0.519 10.297 -0.430 107 HE1 TYR 15 HE2 TYR 15 -1.992 10.324 -4.659 108 HE2 TYR 15 HE1 TYR 15 -1.706 11.349 -0.531 109 HH TYR 15 HH TYR 15 -3.345 12.075 -1.919 110 HB2 TYR 15 HB2 TYR 15 1.827 8.100 -2.909 111 HB3 TYR 15 HB1 TYR 15 2.153 8.919 -1.387 112 H LYS 16 HN LYS 16 5.150 10.847 -2.180 113 HA LYS 16 HA LYS 16 6.737 8.528 -3.012 114 HB2 LYS 16 HB2 LYS 16 7.615 11.351 -2.376 115 HB3 LYS 16 HB1 LYS 16 8.671 10.048 -2.919 116 HG2 LYS 16 HG2 LYS 16 7.282 9.878 -4.982 117 HG3 LYS 16 HG1 LYS 16 6.411 11.314 -4.451 118 HD2 LYS 16 HD2 LYS 16 8.497 12.599 -4.505 119 HD3 LYS 16 HD1 LYS 16 9.372 11.155 -5.027 120 HE2 LYS 16 HE2 LYS 16 7.875 11.052 -7.015 121 HE3 LYS 16 HE1 LYS 16 7.179 12.591 -6.514 122 HZ1 LYS 16 HZ1 LYS 16 8.836 12.983 -8.166 123 HZ2 LYS 16 HZ2 LYS 16 9.994 12.087 -7.309 124 HZ3 LYS 16 HZ3 LYS 16 9.428 13.560 -6.683 125 H ILE 17 HN ILE 17 5.376 9.844 -0.268 126 HA ILE 17 HA ILE 17 6.946 7.967 1.340 127 HB ILE 17 HB ILE 17 6.329 10.790 2.268 128 HG12 ILE 17 HG12 ILE 17 9.003 9.468 1.738 129 HG13 ILE 17 HG11 ILE 17 8.246 10.675 0.703 130 HG21 ILE 17 HG21 ILE 17 7.561 10.154 4.299 131 HG22 ILE 17 HG22 ILE 17 7.691 8.505 3.688 132 HG23 ILE 17 HG23 ILE 17 6.108 9.183 4.068 133 HD11 ILE 17 HD11 ILE 17 8.391 12.308 2.515 134 HD12 ILE 17 HD12 ILE 17 9.974 11.665 2.080 135 HD13 ILE 17 HD13 ILE 17 9.162 11.097 3.539 136 H ILE 18 HN ILE 18 5.420 6.543 1.897 137 HA ILE 18 HA ILE 18 2.843 7.620 2.936 138 HB ILE 18 HB ILE 18 3.269 5.040 1.401 139 HG12 ILE 18 HG12 ILE 18 1.764 7.555 0.647 140 HG13 ILE 18 HG11 ILE 18 3.324 7.068 -0.006 141 HG21 ILE 18 HG21 ILE 18 0.722 6.221 2.516 142 HG22 ILE 18 HG22 ILE 18 1.562 4.801 3.144 143 HG23 ILE 18 HG23 ILE 18 0.845 4.764 1.532 144 HD11 ILE 18 HD11 ILE 18 2.297 5.090 -0.992 145 HD12 ILE 18 HD12 ILE 18 1.507 6.569 -1.543 146 HD13 ILE 18 HD13 ILE 18 0.737 5.563 -0.319 147 H GLU 19 HN GLU 19 2.621 7.253 5.018 148 HA GLU 19 HA GLU 19 3.999 5.036 6.322 149 HB2 GLU 19 HB2 GLU 19 2.323 7.261 7.511 150 HB3 GLU 19 HB1 GLU 19 3.317 6.119 8.408 151 HG2 GLU 19 HG2 GLU 19 5.322 7.029 7.468 152 HG3 GLU 19 HG1 GLU 19 4.398 8.058 6.378 153 H ILE 20 HN ILE 20 2.963 3.241 7.104 154 HA ILE 20 HA ILE 20 0.032 3.143 6.843 155 HB ILE 20 HB ILE 20 0.250 0.840 5.877 156 HG12 ILE 20 HG12 ILE 20 3.118 1.691 5.413 157 HG13 ILE 20 HG11 ILE 20 2.601 0.457 6.557 158 HG21 ILE 20 HG21 ILE 20 -0.349 2.714 4.469 159 HG22 ILE 20 HG22 ILE 20 0.709 1.614 3.586 160 HG23 ILE 20 HG23 ILE 20 1.353 3.119 4.240 161 HD11 ILE 20 HD11 ILE 20 3.467 -0.549 4.540 162 HD12 ILE 20 HD12 ILE 20 2.305 0.350 3.565 163 HD13 ILE 20 HD13 ILE 20 1.743 -0.884 4.694 164 H GLY 21 HN GLY 21 -0.995 1.470 8.063 165 HA2 GLY 21 HA2 GLY 21 0.528 0.747 10.455 166 HA3 GLY 21 HA1 GLY 21 -1.220 0.703 10.286 167 H VAL 22 HN VAL 22 0.564 -0.658 7.709 168 HA VAL 22 HA VAL 22 0.184 -3.362 8.802 169 HB VAL 22 HB VAL 22 -0.302 -4.172 6.509 170 HG11 VAL 22 HG11 VAL 22 -2.206 -2.056 7.506 171 HG12 VAL 22 HG12 VAL 22 -2.132 -3.728 8.061 172 HG13 VAL 22 HG13 VAL 22 -2.611 -3.369 6.402 173 HG21 VAL 22 HG21 VAL 22 0.745 -2.389 5.231 174 HG22 VAL 22 HG22 VAL 22 -0.457 -1.240 5.820 175 HG23 VAL 22 HG23 VAL 22 -0.947 -2.570 4.769 176 H LYS 23 HN LYS 23 1.475 -4.961 7.219 177 HA LYS 23 HA LYS 23 4.184 -3.795 7.057 178 HB2 LYS 23 HB2 LYS 23 3.877 -5.408 8.903 179 HB3 LYS 23 HB1 LYS 23 3.388 -6.632 7.742 180 HG2 LYS 23 HG2 LYS 23 5.584 -6.625 6.745 181 HG3 LYS 23 HG1 LYS 23 6.084 -5.299 7.800 182 HD2 LYS 23 HD2 LYS 23 5.255 -8.059 8.695 183 HD3 LYS 23 HD1 LYS 23 6.909 -7.447 8.619 184 HE2 LYS 23 HE2 LYS 23 6.361 -5.734 10.265 185 HE3 LYS 23 HE1 LYS 23 4.696 -6.309 10.325 186 HZ1 LYS 23 HZ1 LYS 23 5.544 -8.457 11.125 187 HZ2 LYS 23 HZ2 LYS 23 5.928 -7.180 12.175 188 HZ3 LYS 23 HZ3 LYS 23 7.118 -7.821 11.147 189 H GLU 24 HN GLU 24 1.728 -5.650 5.523 190 HA GLU 24 HA GLU 24 3.473 -6.131 3.202 191 HB2 GLU 24 HB2 GLU 24 1.079 -7.650 2.986 192 HB3 GLU 24 HB1 GLU 24 2.720 -8.237 3.194 193 HG2 GLU 24 HG2 GLU 24 1.400 -9.206 4.904 194 HG3 GLU 24 HG1 GLU 24 2.417 -7.985 5.660 195 H PHE 25 HN PHE 25 3.160 -4.458 1.838 196 HA PHE 25 HA PHE 25 0.447 -4.013 0.868 197 HD1 PHE 25 HD1 PHE 25 -1.457 -2.347 1.987 198 HD2 PHE 25 HD2 PHE 25 1.598 -0.127 0.028 199 HE1 PHE 25 HE1 PHE 25 -3.168 -0.921 0.948 200 HE2 PHE 25 HE2 PHE 25 -0.109 1.307 -1.016 201 HZ PHE 25 HZ PHE 25 -2.496 0.911 -0.552 202 HB2 PHE 25 HB2 PHE 25 0.928 -2.365 2.750 203 HB3 PHE 25 HB1 PHE 25 2.164 -1.668 1.708 204 H MET 26 HN MET 26 0.403 -3.017 -1.233 205 HA MET 26 HA MET 26 3.015 -3.157 -2.581 206 HB2 MET 26 HB2 MET 26 1.420 -4.924 -3.287 207 HB3 MET 26 HB1 MET 26 0.297 -3.672 -3.804 208 HG2 MET 26 HG2 MET 26 1.904 -2.881 -5.444 209 HG3 MET 26 HG1 MET 26 3.066 -4.092 -4.907 210 HE1 MET 26 HE1 MET 26 2.335 -3.812 -7.958 211 HE2 MET 26 HE2 MET 26 2.146 -5.513 -8.386 212 HE3 MET 26 HE3 MET 26 3.435 -5.018 -7.290 213 H CYS 27 HN CYS 27 3.735 -1.392 -3.523 214 HA CYS 27 HA CYS 27 2.310 1.059 -3.393 215 HB2 CYS 27 HB2 CYS 27 4.672 1.187 -3.225 216 HB3 CYS 27 HB1 CYS 27 4.905 0.223 -4.678 217 H VAL 28 HN VAL 28 0.857 1.813 -4.752 218 HA VAL 28 HA VAL 28 0.871 0.851 -7.528 219 HB VAL 28 HB VAL 28 -1.221 0.298 -6.479 220 HG11 VAL 28 HG11 VAL 28 -1.181 1.824 -4.606 221 HG12 VAL 28 HG12 VAL 28 -2.698 1.991 -5.493 222 HG13 VAL 28 HG13 VAL 28 -1.424 3.197 -5.688 223 HG21 VAL 28 HG21 VAL 28 -2.823 1.551 -7.856 224 HG22 VAL 28 HG22 VAL 28 -1.404 1.042 -8.771 225 HG23 VAL 28 HG23 VAL 28 -1.558 2.719 -8.241 226 H GLY 29 HN GLY 29 1.166 2.294 -9.147 227 HA2 GLY 29 HA2 GLY 29 0.903 5.139 -8.651 228 HA3 GLY 29 HA1 GLY 29 2.551 4.578 -8.902 229 H ALA 30 HN ALA 30 -0.645 4.107 -10.355 230 HA ALA 30 HA ALA 30 0.329 3.505 -12.931 231 HB1 ALA 30 HB1 ALA 30 -2.393 4.497 -12.103 232 HB2 ALA 30 HB2 ALA 30 -1.877 2.811 -12.160 233 HB3 ALA 30 HB3 ALA 30 -1.989 3.750 -13.650 234 H THR 31 HN THR 31 1.730 5.045 -13.676 235 HA THR 31 HA THR 31 0.493 7.345 -14.894 236 HB THR 31 HB THR 31 2.756 7.800 -12.929 237 HG1 THR 31 HG1 THR 31 0.097 7.754 -12.586 238 HG21 THR 31 HG21 THR 31 2.905 9.249 -14.895 239 HG22 THR 31 HG22 THR 31 2.444 10.174 -13.465 240 HG23 THR 31 HG23 THR 31 1.228 9.742 -14.668 241 H GLN 32 HN GLN 32 3.733 6.092 -14.027 242 HA GLN 32 HA GLN 32 4.355 6.000 -16.879 243 HB2 GLN 32 HB2 GLN 32 5.222 8.140 -16.046 244 HB3 GLN 32 HB1 GLN 32 6.152 7.294 -14.821 245 HG2 GLN 32 HG2 GLN 32 7.481 8.028 -16.773 246 HG3 GLN 32 HG1 GLN 32 7.551 6.293 -16.471 247 HE21 GLN 32 HE21 GLN 32 6.249 8.794 -18.547 248 HE22 GLN 32 HE22 GLN 32 5.891 7.750 -19.886 249 HA PRO 33 HA PRO 33 7.163 2.822 -14.725 250 HB2 PRO 33 HB2 PRO 33 6.952 2.963 -11.855 251 HB3 PRO 33 HB1 PRO 33 8.375 3.240 -12.862 252 HG2 PRO 33 HG2 PRO 33 7.109 5.198 -11.412 253 HG3 PRO 33 HG1 PRO 33 8.090 5.503 -12.856 254 HD2 PRO 33 HD2 PRO 33 5.113 5.342 -12.580 255 HD3 PRO 33 HD1 PRO 33 6.097 6.451 -13.560 256 H PHE 34 HN PHE 34 5.784 1.286 -15.385 257 HA PHE 34 HA PHE 34 4.264 -0.379 -15.354 258 HD1 PHE 34 HD2 PHE 34 4.183 -2.983 -14.102 259 HD2 PHE 34 HD1 PHE 34 6.384 -0.034 -11.962 260 HE1 PHE 34 HE2 PHE 34 6.034 -4.578 -13.815 261 HE2 PHE 34 HE1 PHE 34 8.241 -1.624 -11.677 262 HZ PHE 34 HZ PHE 34 8.066 -3.898 -12.603 263 HB2 PHE 34 HB2 PHE 34 4.059 0.280 -12.416 264 HB3 PHE 34 HB1 PHE 34 3.095 -0.979 -13.183 265 H ASP 35 HN ASP 35 2.064 -0.605 -15.775 266 HA ASP 35 HA ASP 35 0.960 1.958 -16.481 267 HB2 ASP 35 HB2 ASP 35 0.052 -0.855 -17.089 268 HB3 ASP 35 HB1 ASP 35 -0.760 0.587 -17.691 269 H HIS 36 HN HIS 36 0.265 -0.454 -14.072 270 HA HIS 36 HA HIS 36 -1.919 1.275 -13.160 271 HD1 HIS 36 HD1 HIS 36 -4.394 1.097 -14.223 272 HD2 HIS 36 HD2 HIS 36 -2.650 -2.354 -15.761 273 HE1 HIS 36 HE1 HIS 36 -5.368 0.805 -16.519 274 HE2 HIS 36 HE2 HIS 36 -4.099 -1.131 -17.516 275 HB2 HIS 36 HB2 HIS 36 -2.057 -1.745 -13.204 276 HB3 HIS 36 HB1 HIS 36 -3.236 -0.690 -12.434 277 HA PRO 37 HA PRO 37 -0.022 -0.531 -9.252 278 HB2 PRO 37 HB2 PRO 37 1.533 -2.696 -9.230 279 HB3 PRO 37 HB1 PRO 37 -0.220 -2.845 -9.408 280 HG2 PRO 37 HG2 PRO 37 1.921 -3.069 -11.472 281 HG3 PRO 37 HG1 PRO 37 0.409 -3.979 -11.317 282 HD2 PRO 37 HD2 PRO 37 0.849 -1.785 -13.001 283 HD3 PRO 37 HD1 PRO 37 -0.730 -2.459 -12.555 284 H HIS 38 HN HIS 38 2.511 -1.324 -8.425 285 HA HIS 38 HA HIS 38 4.465 -0.170 -10.220 286 HD2 HIS 38 HD2 HIS 38 6.357 1.176 -10.684 287 HE1 HIS 38 HE1 HIS 38 8.622 2.798 -7.496 288 HE2 HIS 38 HE2 HIS 38 8.574 2.266 -9.946 289 HB2 HIS 38 HB2 HIS 38 3.765 1.743 -8.786 290 HB3 HIS 38 HB1 HIS 38 4.278 0.826 -7.370 291 H ILE 39 HN ILE 39 4.777 -0.824 -6.786 292 HA ILE 39 HA ILE 39 6.360 -3.215 -7.334 293 HB ILE 39 HB ILE 39 7.472 -0.750 -5.973 294 HG12 ILE 39 HG12 ILE 39 7.602 -0.828 -8.463 295 HG13 ILE 39 HG11 ILE 39 9.180 -0.792 -7.681 296 HG21 ILE 39 HG21 ILE 39 8.074 -2.731 -4.678 297 HG22 ILE 39 HG22 ILE 39 9.483 -2.039 -5.480 298 HG23 ILE 39 HG23 ILE 39 8.721 -3.490 -6.131 299 HD11 ILE 39 HD11 ILE 39 7.824 -3.229 -8.812 300 HD12 ILE 39 HD12 ILE 39 9.406 -3.196 -8.033 301 HD13 ILE 39 HD13 ILE 39 9.152 -2.336 -9.552 302 H PHE 40 HN PHE 40 6.149 -4.700 -5.735 303 HA PHE 40 HA PHE 40 4.378 -4.132 -3.550 304 HD1 PHE 40 HD2 PHE 40 6.289 -6.555 -6.283 305 HD2 PHE 40 HD1 PHE 40 6.591 -7.533 -2.152 306 HE1 PHE 40 HE2 PHE 40 8.310 -7.879 -6.747 307 HE2 PHE 40 HE1 PHE 40 8.615 -8.856 -2.609 308 HZ PHE 40 HZ PHE 40 9.476 -9.030 -4.909 309 HB2 PHE 40 HB2 PHE 40 4.651 -6.487 -2.964 310 HB3 PHE 40 HB1 PHE 40 4.351 -6.325 -4.688 311 H ILE 41 HN ILE 41 4.868 -3.885 -1.405 312 HA ILE 41 HA ILE 41 7.737 -3.704 -0.768 313 HB ILE 41 HB ILE 41 5.503 -1.966 0.292 314 HG12 ILE 41 HG12 ILE 41 6.202 -1.404 -2.003 315 HG13 ILE 41 HG11 ILE 41 6.645 -0.141 -0.863 316 HG21 ILE 41 HG21 ILE 41 7.152 -2.422 2.023 317 HG22 ILE 41 HG22 ILE 41 7.253 -0.744 1.490 318 HG23 ILE 41 HG23 ILE 41 8.448 -1.918 0.939 319 HD11 ILE 41 HD11 ILE 41 8.497 -2.226 -1.996 320 HD12 ILE 41 HD12 ILE 41 8.945 -0.958 -0.854 321 HD13 ILE 41 HD13 ILE 41 8.407 -0.532 -2.478 322 H ASP 42 HN ASP 42 8.220 -5.388 0.437 323 HA ASP 42 HA ASP 42 6.422 -6.155 2.629 324 HB2 ASP 42 HB2 ASP 42 6.972 -8.061 1.280 325 HB3 ASP 42 HB1 ASP 42 8.680 -7.636 1.268 326 H MET 43 HN MET 43 7.012 -5.738 4.679 327 HA MET 43 HA MET 43 9.621 -4.474 5.092 328 HB2 MET 43 HB2 MET 43 7.264 -4.699 6.973 329 HB3 MET 43 HB1 MET 43 8.735 -3.785 7.273 330 HG2 MET 43 HG2 MET 43 8.200 -2.336 5.365 331 HG3 MET 43 HG1 MET 43 6.697 -3.233 5.129 332 HE1 MET 43 HE1 MET 43 6.747 -0.066 5.499 333 HE2 MET 43 HE2 MET 43 5.383 0.137 6.600 334 HE3 MET 43 HE3 MET 43 5.281 -1.019 5.271 335 H GLY 44 HN GLY 44 11.026 -6.219 5.168 336 HA2 GLY 44 HA2 GLY 44 10.551 -8.466 6.894 337 HA3 GLY 44 HA1 GLY 44 12.051 -8.093 6.053 338 H SER 45 HN SER 45 10.053 -6.766 8.667 339 HA SER 45 HA SER 45 10.524 -5.876 10.688 340 HG SER 45 HG SER 45 11.832 -8.855 11.935 341 HB2 SER 45 HB2 SER 45 13.104 -7.451 10.462 342 HB3 SER 45 HB1 SER 45 12.461 -6.735 11.940 343 H THR 46 HN THR 46 10.606 -3.750 10.078 344 HA THR 46 HA THR 46 13.146 -2.450 10.275 345 HB THR 46 HB THR 46 13.214 -3.113 7.901 346 HG1 THR 46 HG1 THR 46 13.983 -0.963 8.722 347 HG21 THR 46 HG21 THR 46 10.715 -1.440 7.625 348 HG22 THR 46 HG22 THR 46 10.817 -3.190 7.448 349 HG23 THR 46 HG23 THR 46 11.635 -2.140 6.293 350 H ASP 47 HN ASP 47 12.902 -0.067 10.160 351 HA ASP 47 HA ASP 47 10.457 0.794 11.426 352 HB2 ASP 47 HB2 ASP 47 12.860 2.407 10.518 353 HB3 ASP 47 HB1 ASP 47 11.560 2.997 11.544 354 H GLU 48 HN GLU 48 12.117 1.296 8.362 355 HA GLU 48 HA GLU 48 9.667 1.951 7.018 356 HB2 GLU 48 HB2 GLU 48 10.522 4.173 6.203 357 HB3 GLU 48 HB1 GLU 48 10.063 4.135 7.899 358 HG2 GLU 48 HG2 GLU 48 12.405 3.947 8.543 359 HG3 GLU 48 HG1 GLU 48 12.878 3.945 6.844 360 H LYS 49 HN LYS 49 9.855 1.828 4.764 361 HA LYS 49 HA LYS 49 12.517 1.165 3.714 362 HB2 LYS 49 HB2 LYS 49 11.255 -0.928 4.298 363 HB3 LYS 49 HB1 LYS 49 10.034 -0.456 3.125 364 HG2 LYS 49 HG2 LYS 49 11.616 -0.634 1.327 365 HG3 LYS 49 HG1 LYS 49 12.932 -0.934 2.460 366 HD2 LYS 49 HD2 LYS 49 10.533 -2.713 2.040 367 HD3 LYS 49 HD1 LYS 49 12.153 -3.004 1.406 368 HE2 LYS 49 HE2 LYS 49 11.390 -2.843 4.321 369 HE3 LYS 49 HE1 LYS 49 11.736 -4.319 3.425 370 HZ1 LYS 49 HZ1 LYS 49 13.669 -3.733 4.642 371 HZ2 LYS 49 HZ2 LYS 49 13.632 -2.130 4.087 372 HZ3 LYS 49 HZ3 LYS 49 13.996 -3.389 3.016 373 H ILE 50 HN ILE 50 12.929 1.996 1.746 374 HA ILE 50 HA ILE 50 10.998 3.854 0.671 375 HB ILE 50 HB ILE 50 13.630 4.064 0.816 376 HG12 ILE 50 HG12 ILE 50 12.103 5.041 -1.612 377 HG13 ILE 50 HG11 ILE 50 12.049 5.790 -0.019 378 HG21 ILE 50 HG21 ILE 50 14.088 2.087 -0.571 379 HG22 ILE 50 HG22 ILE 50 14.757 3.557 -1.279 380 HG23 ILE 50 HG23 ILE 50 13.272 2.865 -1.933 381 HD11 ILE 50 HD11 ILE 50 14.415 6.303 -0.169 382 HD12 ILE 50 HD12 ILE 50 13.538 6.976 -1.545 383 HD13 ILE 50 HD13 ILE 50 14.500 5.511 -1.742 384 H CYS 51 HN CYS 51 10.687 3.912 -1.757 385 HA CYS 51 HA CYS 51 10.280 1.199 -2.812 386 HB2 CYS 51 HB2 CYS 51 8.124 2.144 -2.334 387 HB3 CYS 51 HB1 CYS 51 8.562 3.669 -3.091 388 HA PRO 52 HA PRO 52 13.329 2.784 -5.697 389 HB2 PRO 52 HB2 PRO 52 12.693 0.244 -7.083 390 HB3 PRO 52 HB1 PRO 52 14.252 0.870 -6.538 391 HG2 PRO 52 HG2 PRO 52 13.031 -1.142 -5.260 392 HG3 PRO 52 HG1 PRO 52 13.966 0.083 -4.384 393 HD2 PRO 52 HD2 PRO 52 11.006 -0.216 -4.659 394 HD3 PRO 52 HD1 PRO 52 11.964 0.311 -3.258 395 H TYR 53 HN TYR 53 13.218 3.846 -7.586 396 HA TYR 53 HA TYR 53 12.578 4.547 -9.637 397 HD1 TYR 53 HD1 TYR 53 13.303 3.636 -11.939 398 HD2 TYR 53 HD2 TYR 53 12.480 0.301 -9.424 399 HE1 TYR 53 HE1 TYR 53 15.295 2.494 -12.812 400 HE2 TYR 53 HE2 TYR 53 14.475 -0.848 -10.292 401 HH TYR 53 HH TYR 53 16.890 0.693 -12.027 402 HB2 TYR 53 HB2 TYR 53 10.930 2.029 -9.561 403 HB3 TYR 53 HB1 TYR 53 10.954 3.110 -10.949 404 H CYS 54 HN CYS 54 11.162 5.446 -7.206 405 HA CYS 54 HA CYS 54 9.631 7.358 -8.449 406 HB2 CYS 54 HB2 CYS 54 7.341 6.839 -8.138 407 HB3 CYS 54 HB1 CYS 54 8.046 5.424 -8.908 408 H SER 55 HN SER 55 10.414 5.580 -5.583 409 HA SER 55 HA SER 55 10.352 6.032 -3.383 410 HG SER 55 HG SER 55 12.200 8.631 -3.290 411 HB2 SER 55 HB2 SER 55 9.766 8.883 -4.226 412 HB3 SER 55 HB1 SER 55 10.233 8.362 -2.606 413 H THR 56 HN THR 56 8.840 5.970 -1.744 414 HA THR 56 HA THR 56 6.129 6.649 -2.002 415 HB THR 56 HB THR 56 6.555 3.653 -2.162 416 HG1 THR 56 HG1 THR 56 6.511 5.524 -4.263 417 HG21 THR 56 HG21 THR 56 4.194 3.664 -2.818 418 HG22 THR 56 HG22 THR 56 4.175 5.425 -2.726 419 HG23 THR 56 HG23 THR 56 4.430 4.469 -1.266 420 H LEU 57 HN LEU 57 8.814 5.066 -0.695 421 HA LEU 57 HA LEU 57 9.423 4.368 1.406 422 HG LEU 57 HG LEU 57 11.311 5.771 2.103 423 HB2 LEU 57 HB2 LEU 57 9.537 7.010 0.910 424 HB3 LEU 57 HB1 LEU 57 8.572 7.021 2.372 425 HD11 LEU 57 HD11 LEU 57 10.449 8.310 3.475 426 HD12 LEU 57 HD12 LEU 57 11.362 8.212 1.971 427 HD13 LEU 57 HD13 LEU 57 12.075 7.629 3.475 428 HD21 LEU 57 HD21 LEU 57 11.220 5.565 4.533 429 HD22 LEU 57 HD22 LEU 57 9.932 4.638 3.764 430 HD23 LEU 57 HD23 LEU 57 9.571 6.187 4.529 431 H TYR 58 HN TYR 58 7.984 2.796 2.085 432 HA TYR 58 HA TYR 58 5.631 3.642 3.557 433 HD1 TYR 58 HD1 TYR 58 3.269 2.276 2.996 434 HD2 TYR 58 HD2 TYR 58 6.481 1.184 0.434 435 HE1 TYR 58 HE1 TYR 58 1.785 2.504 1.051 436 HE2 TYR 58 HE2 TYR 58 5.007 1.403 -1.519 437 HH TYR 58 HH TYR 58 1.927 2.875 -1.333 438 HB2 TYR 58 HB2 TYR 58 6.703 0.932 2.783 439 HB3 TYR 58 HB1 TYR 58 5.316 1.137 3.850 440 H ARG 59 HN ARG 59 5.745 4.145 5.583 441 HA ARG 59 HA ARG 59 7.936 3.064 7.223 442 HE ARG 59 HE ARG 59 10.017 6.783 8.348 443 HB2 ARG 59 HB2 ARG 59 6.192 5.449 7.846 444 HB3 ARG 59 HB1 ARG 59 7.691 4.989 8.638 445 HG2 ARG 59 HG2 ARG 59 8.882 5.438 6.500 446 HG3 ARG 59 HG1 ARG 59 7.362 6.046 5.841 447 HD2 ARG 59 HD2 ARG 59 8.661 7.909 6.622 448 HD3 ARG 59 HD1 ARG 59 7.277 7.692 7.693 449 HH11 ARG 59 HH11 ARG 59 6.923 8.162 9.304 450 HH12 ARG 59 HH12 ARG 59 7.410 8.398 10.956 451 HH21 ARG 59 HH21 ARG 59 10.614 7.035 10.510 452 HH22 ARG 59 HH22 ARG 59 9.501 7.729 11.654 453 H TYR 60 HN TYR 60 7.490 1.995 9.119 454 HA TYR 60 HA TYR 60 4.635 1.649 9.753 455 HD1 TYR 60 HD1 TYR 60 3.117 -0.325 9.797 456 HD2 TYR 60 HD2 TYR 60 6.488 -1.647 12.031 457 HE1 TYR 60 HE1 TYR 60 1.625 -1.556 11.311 458 HE2 TYR 60 HE2 TYR 60 5.004 -2.883 13.553 459 HH TYR 60 HH TYR 60 1.701 -3.419 12.860 460 HB2 TYR 60 HB2 TYR 60 5.604 -0.433 8.866 461 HB3 TYR 60 HB1 TYR 60 6.843 -0.391 10.119 462 H ASP 61 HN ASP 61 4.425 3.113 11.315 463 HA ASP 61 HA ASP 61 6.182 2.969 13.655 464 HB2 ASP 61 HB2 ASP 61 5.644 5.208 12.607 465 HB3 ASP 61 HB1 ASP 61 3.968 4.955 13.076 466 HA PRO 62 HA PRO 62 3.276 0.318 15.725 467 HB2 PRO 62 HB2 PRO 62 4.178 1.822 18.133 468 HB3 PRO 62 HB1 PRO 62 4.100 0.079 17.857 469 HG2 PRO 62 HG2 PRO 62 6.433 1.342 17.782 470 HG3 PRO 62 HG1 PRO 62 6.068 0.056 16.616 471 HD2 PRO 62 HD2 PRO 62 6.076 3.020 16.233 472 HD3 PRO 62 HD1 PRO 62 6.589 1.737 15.119 473 H SER 63 HN SER 63 3.139 3.792 15.950 474 HA SER 63 HA SER 63 0.646 3.775 17.422 475 HG SER 63 HG SER 63 3.194 5.842 15.823 476 HB2 SER 63 HB2 SER 63 0.697 6.228 17.113 477 HB3 SER 63 HB1 SER 63 2.199 5.611 17.801 478 H LEU 64 HN LEU 64 1.507 3.305 14.202 479 HA LEU 64 HA LEU 64 -0.925 4.411 13.071 480 HG LEU 64 HG LEU 64 1.843 5.095 12.279 481 HB2 LEU 64 HB2 LEU 64 1.237 2.659 11.896 482 HB3 LEU 64 HB1 LEU 64 -0.152 3.228 10.993 483 HD11 LEU 64 HD11 LEU 64 2.845 3.568 10.541 484 HD12 LEU 64 HD12 LEU 64 2.947 5.294 10.191 485 HD13 LEU 64 HD13 LEU 64 1.738 4.297 9.380 486 HD21 LEU 64 HD21 LEU 64 0.886 6.729 10.750 487 HD22 LEU 64 HD22 LEU 64 -0.372 6.039 11.777 488 HD23 LEU 64 HD23 LEU 64 -0.208 5.508 10.102 489 H SER 65 HN SER 65 -2.802 3.422 13.341 490 HA SER 65 HA SER 65 -3.071 0.779 14.303 491 HG SER 65 HG SER 65 -5.109 3.620 14.784 492 HB2 SER 65 HB2 SER 65 -5.145 2.549 12.983 493 HB3 SER 65 HB1 SER 65 -5.477 1.116 13.957 494 H TYR 66 HN TYR 66 -4.240 -0.983 13.205 495 HA TYR 66 HA TYR 66 -2.912 -1.601 10.765 496 HD1 TYR 66 HD2 TYR 66 -3.629 -2.666 14.338 497 HD2 TYR 66 HD1 TYR 66 -2.210 -4.740 10.907 498 HE1 TYR 66 HE2 TYR 66 -1.805 -3.620 15.679 499 HE2 TYR 66 HE1 TYR 66 -0.380 -5.703 12.239 500 HH TYR 66 HH TYR 66 -0.293 -5.477 15.672 501 HB2 TYR 66 HB2 TYR 66 -5.063 -3.042 12.311 502 HB3 TYR 66 HB1 TYR 66 -4.330 -3.691 10.849 503 H ASN 67 HN ASN 67 -5.610 0.242 11.270 504 HA ASN 67 HA ASN 67 -6.600 -0.304 8.546 505 HB2 ASN 67 HB2 ASN 67 -8.739 0.599 9.191 506 HB3 ASN 67 HB1 ASN 67 -8.282 -0.613 10.382 507 HD21 ASN 67 HD21 ASN 67 -7.730 0.041 12.473 508 HD22 ASN 67 HD22 ASN 67 -8.124 1.623 13.063 509 H GLN 68 HN GLN 68 -4.494 1.564 9.998 510 HA GLN 68 HA GLN 68 -5.464 4.153 9.028 511 HB2 GLN 68 HB2 GLN 68 -4.586 3.803 11.401 512 HB3 GLN 68 HB1 GLN 68 -2.992 3.646 10.679 513 HG2 GLN 68 HG2 GLN 68 -3.176 5.897 9.766 514 HG3 GLN 68 HG1 GLN 68 -4.787 6.053 10.469 515 HE21 GLN 68 HE21 GLN 68 -2.452 7.683 10.954 516 HE22 GLN 68 HE22 GLN 68 -2.120 7.567 12.649 517 H THR 69 HN THR 69 -4.021 5.530 7.841 518 HA THR 69 HA THR 69 -1.826 4.264 6.428 519 HB THR 69 HB THR 69 -3.895 3.660 5.155 520 HG1 THR 69 HG1 THR 69 -2.259 3.698 3.769 521 HG21 THR 69 HG21 THR 69 -4.110 6.648 4.766 522 HG22 THR 69 HG22 THR 69 -5.259 5.609 5.609 523 HG23 THR 69 HG23 THR 69 -5.033 5.442 3.869 524 H ASN 70 HN ASN 70 -1.703 6.228 4.380 525 HA ASN 70 HA ASN 70 -0.861 8.532 5.990 526 HB2 ASN 70 HB2 ASN 70 0.859 7.378 4.640 527 HB3 ASN 70 HB1 ASN 70 -0.063 7.724 3.181 528 HD21 ASN 70 HD21 ASN 70 1.874 9.084 5.744 529 HD22 ASN 70 HD22 ASN 70 2.247 10.568 4.940 530 HA PRO 71 HA PRO 71 -4.306 10.724 4.609 531 HB2 PRO 71 HB2 PRO 71 -3.045 13.252 5.185 532 HB3 PRO 71 HB1 PRO 71 -4.203 12.348 6.162 533 HG2 PRO 71 HG2 PRO 71 -1.583 12.728 6.860 534 HG3 PRO 71 HG1 PRO 71 -2.567 11.357 7.407 535 HD2 PRO 71 HD2 PRO 71 -0.538 11.476 5.204 536 HD3 PRO 71 HD1 PRO 71 -0.831 10.193 6.399 537 H THR 72 HN THR 72 -4.835 13.009 3.613 538 HA THR 72 HA THR 72 -4.759 14.539 1.937 539 HB THR 72 HB THR 72 -2.317 13.226 0.752 540 HG1 THR 72 HG1 THR 72 -1.355 13.825 2.536 541 HG21 THR 72 HG21 THR 72 -3.479 14.866 -0.652 542 HG22 THR 72 HG22 THR 72 -1.908 15.476 -0.133 543 HG23 THR 72 HG23 THR 72 -3.379 16.055 0.647 544 H GLY 73 HN GLY 73 -6.690 13.202 1.497 545 HA2 GLY 73 HA2 GLY 73 -8.114 12.189 0.009 546 HA3 GLY 73 HA1 GLY 73 -7.115 12.965 -1.206 547 H CYS 74 HN CYS 74 -6.770 10.180 0.998 548 HA CYS 74 HA CYS 74 -5.428 8.760 -1.178 549 HG CYS 74 HG CYS 74 -4.547 8.609 3.336 550 HB2 CYS 74 HB2 CYS 74 -4.728 7.232 0.744 551 HB3 CYS 74 HB1 CYS 74 -4.067 8.865 0.746 552 H LEU 75 HN LEU 75 -5.657 6.235 -0.641 553 HA LEU 75 HA LEU 75 -6.870 4.348 -0.671 554 HG LEU 75 HG LEU 75 -8.846 4.262 2.371 555 HB2 LEU 75 HB2 LEU 75 -8.810 6.127 0.716 556 HB3 LEU 75 HB1 LEU 75 -9.386 4.598 0.079 557 HD11 LEU 75 HD11 LEU 75 -6.661 3.155 0.620 558 HD12 LEU 75 HD12 LEU 75 -8.240 2.431 0.924 559 HD13 LEU 75 HD13 LEU 75 -7.068 2.569 2.234 560 HD21 LEU 75 HD21 LEU 75 -7.405 6.190 2.707 561 HD22 LEU 75 HD22 LEU 75 -6.131 5.417 1.764 562 HD23 LEU 75 HD23 LEU 75 -6.638 4.719 3.302 563 H TYR 76 HN TYR 76 -7.423 3.413 -2.440 564 HA TYR 76 HA TYR 76 -9.227 4.777 -4.313 565 HD1 TYR 76 HD2 TYR 76 -9.011 5.325 -6.459 566 HD2 TYR 76 HD1 TYR 76 -8.039 1.195 -6.761 567 HE1 TYR 76 HE2 TYR 76 -9.997 5.267 -8.710 568 HE2 TYR 76 HE1 TYR 76 -9.023 1.123 -9.017 569 HH TYR 76 HH TYR 76 -9.827 3.927 -10.761 570 HB2 TYR 76 HB2 TYR 76 -6.974 3.931 -5.111 571 HB3 TYR 76 HB1 TYR 76 -7.556 2.299 -4.804 572 H ASN 77 HN ASN 77 -11.100 4.362 -3.147 573 HA ASN 77 HA ASN 77 -11.699 1.647 -2.295 574 HB2 ASN 77 HB2 ASN 77 -13.003 4.324 -1.806 575 HB3 ASN 77 HB1 ASN 77 -13.747 2.814 -1.296 576 HD21 ASN 77 HD21 ASN 77 -12.647 5.154 0.192 577 HD22 ASN 77 HD22 ASN 77 -11.535 4.461 1.323 578 HA PRO 78 HA PRO 78 -14.837 0.610 -5.350 579 HB2 PRO 78 HB2 PRO 78 -16.695 0.360 -3.029 580 HB3 PRO 78 HB1 PRO 78 -16.366 -0.784 -4.335 581 HG2 PRO 78 HG2 PRO 78 -15.370 -1.183 -1.901 582 HG3 PRO 78 HG1 PRO 78 -14.412 -1.550 -3.348 583 HD2 PRO 78 HD2 PRO 78 -14.204 0.764 -1.471 584 HD3 PRO 78 HD1 PRO 78 -12.922 -0.119 -2.324 585 H LYS 79 HN LYS 79 -16.812 1.474 -6.234 586 HA LYS 79 HA LYS 79 -16.835 4.341 -5.817 587 HB2 LYS 79 HB2 LYS 79 -18.389 2.704 -7.821 588 HB3 LYS 79 HB1 LYS 79 -18.058 4.430 -7.893 589 HG2 LYS 79 HG2 LYS 79 -15.691 3.989 -8.181 590 HG3 LYS 79 HG1 LYS 79 -15.980 2.254 -8.038 591 HD2 LYS 79 HD2 LYS 79 -17.067 4.060 -10.197 592 HD3 LYS 79 HD1 LYS 79 -15.722 2.933 -10.372 593 HE2 LYS 79 HE2 LYS 79 -18.572 2.192 -9.715 594 HE3 LYS 79 HE1 LYS 79 -17.804 2.023 -11.291 595 HZ1 LYS 79 HZ1 LYS 79 -17.745 -0.077 -10.241 596 HZ2 LYS 79 HZ2 LYS 79 -17.141 0.564 -8.793 597 HZ3 LYS 79 HZ3 LYS 79 -16.159 0.527 -10.178 598 H LEU 80 HN LEU 80 -18.023 2.812 -3.696 599 HA LEU 80 HA LEU 80 -19.909 2.459 -2.472 600 HG LEU 80 HG LEU 80 -22.615 4.000 -2.449 601 HB2 LEU 80 HB2 LEU 80 -19.743 4.947 -2.444 602 HB3 LEU 80 HB1 LEU 80 -20.834 5.004 -3.814 603 HD11 LEU 80 HD11 LEU 80 -20.615 4.168 -0.198 604 HD12 LEU 80 HD12 LEU 80 -21.217 2.686 -0.938 605 HD13 LEU 80 HD13 LEU 80 -22.317 3.731 -0.041 606 HD21 LEU 80 HD21 LEU 80 -21.333 6.401 -1.148 607 HD22 LEU 80 HD22 LEU 80 -23.021 5.913 -0.996 608 HD23 LEU 80 HD23 LEU 80 -22.392 6.438 -2.558 609 H GLU 81 HN GLU 81 -20.235 0.621 -3.872 610 HA GLU 81 HA GLU 81 -22.260 0.930 -5.965 611 HB2 GLU 81 HB2 GLU 81 -20.271 -1.285 -5.427 612 HB3 GLU 81 HB1 GLU 81 -21.396 -1.238 -6.778 613 HG2 GLU 81 HG2 GLU 81 -20.225 0.363 -7.888 614 HG3 GLU 81 HG1 GLU 81 -19.588 1.080 -6.411 615 H HIS 82 HN HIS 82 -23.118 -1.671 -6.180 616 HA HIS 82 HA HIS 82 -24.968 -1.824 -3.977 617 HD1 HIS 82 HD1 HIS 82 -25.574 -2.480 -8.445 618 HD2 HIS 82 HD2 HIS 82 -27.249 -0.965 -4.951 619 HE1 HIS 82 HE1 HIS 82 -27.184 -0.690 -9.181 620 HE2 HIS 82 HE2 HIS 82 -28.138 0.261 -7.050 621 HB2 HIS 82 HB2 HIS 82 -24.622 -3.545 -6.441 622 HB3 HIS 82 HB1 HIS 82 -25.899 -3.775 -5.251 623 H HIS 83 HN HIS 83 -25.452 -4.195 -3.191 624 HA HIS 83 HA HIS 83 -23.100 -5.001 -1.743 625 HD1 HIS 83 HD1 HIS 83 -24.170 -4.834 1.178 626 HD2 HIS 83 HD2 HIS 83 -27.388 -4.098 -1.365 627 HE1 HIS 83 HE1 HIS 83 -25.531 -3.031 2.293 628 HE2 HIS 83 HE2 HIS 83 -27.493 -2.625 0.760 629 HB2 HIS 83 HB2 HIS 83 -25.821 -6.338 -1.852 630 HB3 HIS 83 HB1 HIS 83 -24.557 -6.655 -0.671 631 H HIS 84 HN HIS 84 -21.616 -5.814 -3.167 632 HA HIS 84 HA HIS 84 -22.356 -7.553 -5.301 633 HD1 HIS 84 HD1 HIS 84 -19.590 -4.300 -5.536 634 HD2 HIS 84 HD2 HIS 84 -21.450 -7.252 -7.790 635 HE1 HIS 84 HE1 HIS 84 -20.073 -3.244 -7.764 636 HE2 HIS 84 HE2 HIS 84 -21.366 -4.993 -9.039 637 HB2 HIS 84 HB2 HIS 84 -19.785 -6.436 -4.290 638 HB3 HIS 84 HB1 HIS 84 -19.726 -7.836 -5.357 639 H HIS 85 HN HIS 85 -22.967 -9.540 -5.005 640 HA HIS 85 HA HIS 85 -21.992 -11.236 -2.902 641 HD1 HIS 85 HD1 HIS 85 -24.774 -13.145 -2.193 642 HD2 HIS 85 HD2 HIS 85 -22.337 -14.550 -5.246 643 HE1 HIS 85 HE1 HIS 85 -24.625 -15.628 -1.843 644 HE2 HIS 85 HE2 HIS 85 -22.990 -16.429 -3.592 645 HB2 HIS 85 HB2 HIS 85 -24.278 -11.399 -3.908 646 HB3 HIS 85 HB1 HIS 85 -23.544 -11.928 -5.415 647 H HIS 86 HN HIS 86 -20.019 -12.175 -2.961 648 HA HIS 86 HA HIS 86 -18.436 -12.063 -5.352 649 HD1 HIS 86 HD1 HIS 86 -15.606 -11.893 -1.665 650 HD2 HIS 86 HD2 HIS 86 -18.383 -9.920 -4.056 651 HE1 HIS 86 HE1 HIS 86 -15.328 -9.449 -1.155 652 HE2 HIS 86 HE2 HIS 86 -17.155 -8.298 -2.453 653 HB2 HIS 86 HB2 HIS 86 -17.858 -13.326 -2.661 654 HB3 HIS 86 HB1 HIS 86 -16.693 -13.211 -3.973 655 H HIS 87 HN HIS 87 -19.251 -14.839 -3.268 656 HA HIS 87 HA HIS 87 -19.826 -16.382 -5.680 657 HD1 HIS 87 HD1 HIS 87 -15.914 -16.642 -3.224 658 HD2 HIS 87 HD2 HIS 87 -19.337 -18.671 -1.987 659 HE1 HIS 87 HE1 HIS 87 -15.515 -17.259 -0.817 660 HE2 HIS 87 HE2 HIS 87 -17.553 -18.565 -0.115 661 HB2 HIS 87 HB2 HIS 87 -18.592 -18.331 -4.885 662 HB3 HIS 87 HB1 HIS 87 -17.507 -16.966 -5.088 Start of MODEL 17 1 HA MET 1 HA MET 1 -15.026 -6.358 0.646 2 H1 MET 1 HT1 MET 1 -14.371 -8.934 -0.657 3 H2 MET 1 HT2 MET 1 -13.338 -7.602 -0.467 4 H3 MET 1 HT3 MET 1 -14.704 -7.480 -1.461 5 HB2 MET 1 HB2 MET 1 -17.172 -7.351 1.204 6 HB3 MET 1 HB1 MET 1 -16.957 -7.357 -0.539 7 HG2 MET 1 HG2 MET 1 -16.321 -9.728 -0.434 8 HG3 MET 1 HG1 MET 1 -16.591 -9.704 1.308 9 HE1 MET 1 HE1 MET 1 -19.636 -11.804 0.074 10 HE2 MET 1 HE2 MET 1 -18.277 -11.726 1.195 11 HE3 MET 1 HE3 MET 1 -17.985 -11.843 -0.540 12 H ALA 2 HN ALA 2 -15.760 -6.849 2.944 13 HA ALA 2 HA ALA 2 -15.308 -7.558 5.046 14 HB1 ALA 2 HB1 ALA 2 -14.371 -10.093 3.706 15 HB2 ALA 2 HB2 ALA 2 -16.014 -9.751 4.252 16 HB3 ALA 2 HB3 ALA 2 -14.704 -9.895 5.427 17 H ASP 3 HN ASP 3 -13.443 -8.469 6.467 18 HA ASP 3 HA ASP 3 -11.054 -6.988 5.781 19 HB2 ASP 3 HB2 ASP 3 -12.079 -7.116 8.110 20 HB3 ASP 3 HB1 ASP 3 -11.483 -8.771 8.187 21 H TYR 4 HN TYR 4 -10.080 -8.026 4.108 22 HA TYR 4 HA TYR 4 -8.542 -10.353 4.569 23 HD1 TYR 4 HD2 TYR 4 -8.622 -12.999 4.565 24 HD2 TYR 4 HD1 TYR 4 -10.358 -11.813 0.866 25 HE1 TYR 4 HE2 TYR 4 -7.527 -14.897 3.450 26 HE2 TYR 4 HE1 TYR 4 -9.269 -13.708 -0.260 27 HH TYR 4 HH TYR 4 -7.335 -15.179 0.063 28 HB2 TYR 4 HB2 TYR 4 -10.721 -11.478 4.369 29 HB3 TYR 4 HB1 TYR 4 -10.986 -10.708 2.810 30 H ASN 5 HN ASN 5 -9.907 -7.964 2.464 31 HA ASN 5 HA ASN 5 -8.254 -8.544 0.206 32 HB2 ASN 5 HB2 ASN 5 -9.852 -6.074 0.906 33 HB3 ASN 5 HB1 ASN 5 -9.041 -6.337 -0.634 34 HD21 ASN 5 HD21 ASN 5 -9.672 -9.198 -0.675 35 HD22 ASN 5 HD22 ASN 5 -11.357 -9.296 -1.063 36 H ILE 6 HN ILE 6 -6.343 -7.675 -0.384 37 HA ILE 6 HA ILE 6 -4.699 -6.495 1.634 38 HB ILE 6 HB ILE 6 -4.161 -6.919 -1.312 39 HG12 ILE 6 HG12 ILE 6 -4.541 -9.014 -0.131 40 HG13 ILE 6 HG11 ILE 6 -2.839 -8.857 -0.545 41 HG21 ILE 6 HG21 ILE 6 -2.715 -5.183 -0.429 42 HG22 ILE 6 HG22 ILE 6 -1.788 -6.653 -0.730 43 HG23 ILE 6 HG23 ILE 6 -2.251 -6.223 0.917 44 HD11 ILE 6 HD11 ILE 6 -3.139 -9.763 1.691 45 HD12 ILE 6 HD12 ILE 6 -4.048 -8.327 2.161 46 HD13 ILE 6 HD13 ILE 6 -2.339 -8.192 1.748 47 HA PRO 7 HA PRO 7 -6.051 -2.324 0.867 48 HB2 PRO 7 HB2 PRO 7 -3.661 -1.599 2.436 49 HB3 PRO 7 HB1 PRO 7 -5.363 -1.245 2.748 50 HG2 PRO 7 HG2 PRO 7 -4.021 -3.043 4.213 51 HG3 PRO 7 HG1 PRO 7 -5.730 -3.269 3.799 52 HD2 PRO 7 HD2 PRO 7 -3.303 -4.532 2.588 53 HD3 PRO 7 HD1 PRO 7 -4.880 -5.255 2.972 54 H HIS 8 HN HIS 8 -5.644 -0.956 -0.727 55 HA HIS 8 HA HIS 8 -2.863 -0.578 -1.599 56 HD1 HIS 8 HD1 HIS 8 -1.853 -1.894 -4.180 57 HD2 HIS 8 HD2 HIS 8 -5.561 -3.489 -3.167 58 HE1 HIS 8 HE1 HIS 8 -1.671 -4.364 -4.606 59 HE2 HIS 8 HE2 HIS 8 -3.872 -5.329 -3.856 60 HB2 HIS 8 HB2 HIS 8 -5.337 -0.734 -3.336 61 HB3 HIS 8 HB1 HIS 8 -3.786 -0.127 -3.904 62 H PHE 9 HN PHE 9 -2.431 1.583 -2.456 63 HA PHE 9 HA PHE 9 -4.173 3.536 -1.113 64 HD1 PHE 9 HD1 PHE 9 -3.576 3.631 1.415 65 HD2 PHE 9 HD2 PHE 9 -0.133 1.921 -0.410 66 HE1 PHE 9 HE1 PHE 9 -3.286 2.153 3.360 67 HE2 PHE 9 HE2 PHE 9 0.167 0.441 1.531 68 HZ PHE 9 HZ PHE 9 -1.412 0.554 3.419 69 HB2 PHE 9 HB2 PHE 9 -1.170 3.719 -1.426 70 HB3 PHE 9 HB1 PHE 9 -2.207 4.777 -0.471 71 H GLN 10 HN GLN 10 -3.453 5.876 -1.943 72 HA GLN 10 HA GLN 10 -3.258 5.759 -4.873 73 HB2 GLN 10 HB2 GLN 10 -4.971 7.486 -5.086 74 HB3 GLN 10 HB1 GLN 10 -5.625 6.075 -4.267 75 HG2 GLN 10 HG2 GLN 10 -5.730 7.150 -2.216 76 HG3 GLN 10 HG1 GLN 10 -4.555 8.377 -2.691 77 HE21 GLN 10 HE21 GLN 10 -5.841 8.837 -5.269 78 HE22 GLN 10 HE22 GLN 10 -7.264 9.764 -4.936 79 H ASN 11 HN ASN 11 -2.402 7.655 -5.870 80 HA ASN 11 HA ASN 11 -1.086 9.512 -3.988 81 HB2 ASN 11 HB2 ASN 11 -0.138 8.603 -6.721 82 HB3 ASN 11 HB1 ASN 11 0.641 9.850 -5.755 83 HD21 ASN 11 HD21 ASN 11 0.265 8.492 -3.228 84 HD22 ASN 11 HD22 ASN 11 1.363 7.164 -3.219 85 H ASP 12 HN ASP 12 -2.707 11.053 -3.977 86 HA ASP 12 HA ASP 12 -3.886 11.996 -6.433 87 HB2 ASP 12 HB2 ASP 12 -5.198 11.970 -4.355 88 HB3 ASP 12 HB1 ASP 12 -4.069 13.104 -3.619 89 H LEU 13 HN LEU 13 -2.240 13.825 -3.871 90 HA LEU 13 HA LEU 13 -1.178 15.677 -5.814 91 HG LEU 13 HG LEU 13 0.200 14.797 -2.428 92 HB2 LEU 13 HB2 LEU 13 -0.200 16.851 -3.907 93 HB3 LEU 13 HB1 LEU 13 -1.909 16.560 -3.667 94 HD11 LEU 13 HD11 LEU 13 -0.038 16.117 -0.391 95 HD12 LEU 13 HD12 LEU 13 -1.088 17.252 -1.240 96 HD13 LEU 13 HD13 LEU 13 0.605 17.095 -1.711 97 HD21 LEU 13 HD21 LEU 13 -2.057 13.875 -2.496 98 HD22 LEU 13 HD22 LEU 13 -2.693 15.338 -1.745 99 HD23 LEU 13 HD23 LEU 13 -1.605 14.286 -0.842 100 H GLY 14 HN GLY 14 -0.135 12.909 -4.012 101 HA2 GLY 14 HA2 GLY 14 1.707 11.787 -5.396 102 HA3 GLY 14 HA1 GLY 14 2.602 13.255 -5.026 103 H TYR 15 HN TYR 15 3.144 13.706 -2.848 104 HA TYR 15 HA TYR 15 3.967 13.217 -0.799 105 HD1 TYR 15 HD1 TYR 15 3.530 12.790 1.851 106 HD2 TYR 15 HD2 TYR 15 0.044 12.389 -0.558 107 HE1 TYR 15 HE1 TYR 15 2.299 14.245 3.402 108 HE2 TYR 15 HE2 TYR 15 -1.195 13.845 0.988 109 HH TYR 15 HH TYR 15 0.309 15.743 3.338 110 HB2 TYR 15 HB2 TYR 15 1.924 11.065 -1.018 111 HB3 TYR 15 HB1 TYR 15 3.186 10.871 0.194 112 H LYS 16 HN LYS 16 6.003 12.740 -0.569 113 HA LYS 16 HA LYS 16 7.074 10.390 -1.957 114 HB2 LYS 16 HB2 LYS 16 8.440 12.802 -0.756 115 HB3 LYS 16 HB1 LYS 16 9.310 11.420 -1.412 116 HG2 LYS 16 HG2 LYS 16 8.202 11.818 -3.594 117 HG3 LYS 16 HG1 LYS 16 7.471 13.272 -2.915 118 HD2 LYS 16 HD2 LYS 16 9.691 14.212 -2.518 119 HD3 LYS 16 HD1 LYS 16 10.434 12.743 -3.158 120 HE2 LYS 16 HE2 LYS 16 10.428 14.480 -4.851 121 HE3 LYS 16 HE1 LYS 16 9.359 13.161 -5.328 122 HZ1 LYS 16 HZ1 LYS 16 8.499 15.734 -4.114 123 HZ2 LYS 16 HZ2 LYS 16 7.468 14.466 -4.573 124 HZ3 LYS 16 HZ3 LYS 16 8.346 15.312 -5.751 125 H ILE 17 HN ILE 17 5.747 11.025 0.892 126 HA ILE 17 HA ILE 17 7.191 8.818 2.167 127 HB ILE 17 HB ILE 17 6.382 11.345 3.628 128 HG12 ILE 17 HG12 ILE 17 9.157 10.253 3.108 129 HG13 ILE 17 HG11 ILE 17 8.436 11.610 2.248 130 HG21 ILE 17 HG21 ILE 17 7.714 8.829 4.622 131 HG22 ILE 17 HG22 ILE 17 6.078 9.370 4.996 132 HG23 ILE 17 HG23 ILE 17 7.465 10.294 5.573 133 HD11 ILE 17 HD11 ILE 17 8.290 12.851 4.351 134 HD12 ILE 17 HD12 ILE 17 9.948 12.383 3.970 135 HD13 ILE 17 HD13 ILE 17 9.038 11.494 5.192 136 H ILE 18 HN ILE 18 5.594 7.290 2.166 137 HA ILE 18 HA ILE 18 2.985 8.179 3.238 138 HB ILE 18 HB ILE 18 3.657 5.772 1.558 139 HG12 ILE 18 HG12 ILE 18 3.272 7.889 0.377 140 HG13 ILE 18 HG11 ILE 18 1.982 6.738 0.044 141 HG21 ILE 18 HG21 ILE 18 2.155 4.991 3.286 142 HG22 ILE 18 HG22 ILE 18 1.282 5.124 1.759 143 HG23 ILE 18 HG23 ILE 18 1.074 6.356 3.004 144 HD11 ILE 18 HD11 ILE 18 0.544 7.902 1.632 145 HD12 ILE 18 HD12 ILE 18 1.119 8.984 0.364 146 HD13 ILE 18 HD13 ILE 18 1.843 9.046 1.971 147 H GLU 19 HN GLU 19 2.514 7.744 5.242 148 HA GLU 19 HA GLU 19 4.029 5.700 6.683 149 HB2 GLU 19 HB2 GLU 19 2.140 7.766 7.826 150 HB3 GLU 19 HB1 GLU 19 3.336 6.812 8.697 151 HG2 GLU 19 HG2 GLU 19 5.117 7.962 7.433 152 HG3 GLU 19 HG1 GLU 19 3.886 8.968 6.674 153 H ILE 20 HN ILE 20 3.074 3.851 7.406 154 HA ILE 20 HA ILE 20 0.173 3.613 7.362 155 HB ILE 20 HB ILE 20 0.578 1.390 5.980 156 HG12 ILE 20 HG12 ILE 20 2.164 1.878 4.081 157 HG13 ILE 20 HG11 ILE 20 2.786 3.227 5.023 158 HG21 ILE 20 HG21 ILE 20 0.349 4.101 4.693 159 HG22 ILE 20 HG22 ILE 20 -0.972 3.186 5.416 160 HG23 ILE 20 HG23 ILE 20 -0.150 2.565 3.983 161 HD11 ILE 20 HD11 ILE 20 3.504 1.669 6.763 162 HD12 ILE 20 HD12 ILE 20 4.233 1.298 5.200 163 HD13 ILE 20 HD13 ILE 20 2.890 0.323 5.801 164 H GLY 21 HN GLY 21 -0.573 1.513 8.181 165 HA2 GLY 21 HA2 GLY 21 1.387 0.291 10.017 166 HA3 GLY 21 HA1 GLY 21 -0.358 0.286 10.249 167 H VAL 22 HN VAL 22 0.765 -0.258 7.081 168 HA VAL 22 HA VAL 22 0.170 -3.129 7.326 169 HB VAL 22 HB VAL 22 0.086 -1.435 4.815 170 HG11 VAL 22 HG11 VAL 22 -1.112 -3.345 3.854 171 HG12 VAL 22 HG12 VAL 22 -0.884 -4.238 5.358 172 HG13 VAL 22 HG13 VAL 22 0.513 -3.785 4.382 173 HG21 VAL 22 HG21 VAL 22 -2.362 -1.571 4.997 174 HG22 VAL 22 HG22 VAL 22 -1.645 -0.697 6.349 175 HG23 VAL 22 HG23 VAL 22 -2.192 -2.359 6.566 176 H LYS 23 HN LYS 23 1.811 -4.506 6.988 177 HA LYS 23 HA LYS 23 4.406 -3.362 6.274 178 HB2 LYS 23 HB2 LYS 23 3.718 -6.122 7.296 179 HB3 LYS 23 HB1 LYS 23 5.332 -5.455 7.127 180 HG2 LYS 23 HG2 LYS 23 4.966 -3.906 8.888 181 HG3 LYS 23 HG1 LYS 23 3.241 -4.280 8.935 182 HD2 LYS 23 HD2 LYS 23 5.476 -6.202 9.580 183 HD3 LYS 23 HD1 LYS 23 4.445 -5.384 10.758 184 HE2 LYS 23 HE2 LYS 23 2.523 -6.537 10.020 185 HE3 LYS 23 HE1 LYS 23 3.339 -7.129 8.576 186 HZ1 LYS 23 HZ1 LYS 23 3.206 -8.911 10.098 187 HZ2 LYS 23 HZ2 LYS 23 3.792 -7.972 11.382 188 HZ3 LYS 23 HZ3 LYS 23 4.825 -8.400 10.105 189 H GLU 24 HN GLU 24 1.922 -5.297 4.942 190 HA GLU 24 HA GLU 24 3.707 -6.217 2.797 191 HB2 GLU 24 HB2 GLU 24 1.504 -7.844 4.080 192 HB3 GLU 24 HB1 GLU 24 2.604 -8.383 2.816 193 HG2 GLU 24 HG2 GLU 24 4.431 -8.454 4.273 194 HG3 GLU 24 HG1 GLU 24 3.616 -7.466 5.484 195 H PHE 25 HN PHE 25 3.035 -4.994 1.137 196 HA PHE 25 HA PHE 25 0.376 -5.432 0.117 197 HD1 PHE 25 HD1 PHE 25 1.424 -1.506 -1.026 198 HD2 PHE 25 HD2 PHE 25 1.682 -2.744 3.036 199 HE1 PHE 25 HE1 PHE 25 2.998 0.329 -0.571 200 HE2 PHE 25 HE2 PHE 25 3.256 -0.913 3.498 201 HZ PHE 25 HZ PHE 25 3.915 0.628 1.695 202 HB2 PHE 25 HB2 PHE 25 -0.196 -3.035 -0.075 203 HB3 PHE 25 HB1 PHE 25 -0.082 -3.555 1.601 204 H MET 26 HN MET 26 0.120 -4.155 -2.009 205 HA MET 26 HA MET 26 2.712 -4.196 -3.405 206 HB2 MET 26 HB2 MET 26 0.480 -5.705 -3.954 207 HB3 MET 26 HB1 MET 26 0.285 -4.351 -5.057 208 HG2 MET 26 HG2 MET 26 2.672 -6.178 -4.881 209 HG3 MET 26 HG1 MET 26 1.436 -6.187 -6.137 210 HE1 MET 26 HE1 MET 26 4.579 -6.074 -6.638 211 HE2 MET 26 HE2 MET 26 4.732 -4.839 -7.889 212 HE3 MET 26 HE3 MET 26 3.450 -6.051 -7.995 213 H CYS 27 HN CYS 27 3.423 -2.293 -4.089 214 HA CYS 27 HA CYS 27 1.846 0.068 -3.743 215 HB2 CYS 27 HB2 CYS 27 4.109 0.360 -3.232 216 HB3 CYS 27 HB1 CYS 27 4.644 -0.484 -4.678 217 H VAL 28 HN VAL 28 0.863 1.318 -5.196 218 HA VAL 28 HA VAL 28 0.792 0.415 -7.984 219 HB VAL 28 HB VAL 28 -1.338 0.590 -6.690 220 HG11 VAL 28 HG11 VAL 28 -0.856 2.489 -5.300 221 HG12 VAL 28 HG12 VAL 28 -2.315 2.786 -6.245 222 HG13 VAL 28 HG13 VAL 28 -0.793 3.546 -6.712 223 HG21 VAL 28 HG21 VAL 28 -1.140 2.406 -9.084 224 HG22 VAL 28 HG22 VAL 28 -2.637 1.749 -8.421 225 HG23 VAL 28 HG23 VAL 28 -1.421 0.665 -9.099 226 H GLY 29 HN GLY 29 -0.254 3.298 -8.579 227 HA2 GLY 29 HA2 GLY 29 0.882 5.485 -8.318 228 HA3 GLY 29 HA1 GLY 29 2.392 4.610 -8.536 229 H ALA 30 HN ALA 30 2.148 3.103 -10.625 230 HA ALA 30 HA ALA 30 1.829 4.970 -12.806 231 HB1 ALA 30 HB1 ALA 30 2.721 2.087 -12.818 232 HB2 ALA 30 HB2 ALA 30 3.778 3.497 -12.748 233 HB3 ALA 30 HB3 ALA 30 2.800 3.198 -14.184 234 H THR 31 HN THR 31 0.503 1.830 -11.847 235 HA THR 31 HA THR 31 -1.597 0.982 -12.022 236 HB THR 31 HB THR 31 -2.358 3.501 -13.518 237 HG1 THR 31 HG1 THR 31 -2.723 4.401 -11.584 238 HG21 THR 31 HG21 THR 31 -4.050 1.428 -12.112 239 HG22 THR 31 HG22 THR 31 -3.935 1.659 -13.857 240 HG23 THR 31 HG23 THR 31 -4.645 2.916 -12.845 241 H GLN 32 HN GLN 32 -0.428 2.568 -14.983 242 HA GLN 32 HA GLN 32 -1.125 0.096 -16.405 243 HB2 GLN 32 HB2 GLN 32 -2.512 1.921 -17.216 244 HB3 GLN 32 HB1 GLN 32 -1.085 2.899 -17.528 245 HG2 GLN 32 HG2 GLN 32 -1.791 2.042 -19.606 246 HG3 GLN 32 HG1 GLN 32 -0.345 1.148 -19.153 247 HE21 GLN 32 HE21 GLN 32 -1.858 -0.507 -17.206 248 HE22 GLN 32 HE22 GLN 32 -2.742 -1.636 -18.169 249 HA PRO 33 HA PRO 33 3.270 1.618 -18.066 250 HB2 PRO 33 HB2 PRO 33 3.946 3.288 -15.694 251 HB3 PRO 33 HB1 PRO 33 4.416 3.493 -17.385 252 HG2 PRO 33 HG2 PRO 33 2.547 5.048 -16.308 253 HG3 PRO 33 HG1 PRO 33 2.386 4.451 -17.971 254 HD2 PRO 33 HD2 PRO 33 1.012 3.531 -15.483 255 HD3 PRO 33 HD1 PRO 33 0.379 3.675 -17.136 256 H PHE 34 HN PHE 34 5.359 0.824 -17.232 257 HA PHE 34 HA PHE 34 6.554 -0.829 -16.246 258 HD1 PHE 34 HD1 PHE 34 5.296 2.165 -14.127 259 HD2 PHE 34 HD2 PHE 34 8.306 -0.803 -13.649 260 HE1 PHE 34 HE1 PHE 34 6.909 3.910 -13.494 261 HE2 PHE 34 HE2 PHE 34 9.925 0.935 -13.014 262 HZ PHE 34 HZ PHE 34 9.228 3.295 -12.935 263 HB2 PHE 34 HB2 PHE 34 4.740 -0.209 -13.909 264 HB3 PHE 34 HB1 PHE 34 6.011 -1.422 -13.833 265 H ASP 35 HN ASP 35 5.724 -2.925 -14.550 266 HA ASP 35 HA ASP 35 3.834 -4.322 -16.325 267 HB2 ASP 35 HB2 ASP 35 5.994 -5.329 -16.538 268 HB3 ASP 35 HB1 ASP 35 6.240 -5.329 -14.797 269 H HIS 36 HN HIS 36 1.940 -4.752 -15.428 270 HA HIS 36 HA HIS 36 0.251 -4.774 -13.919 271 HD1 HIS 36 HD1 HIS 36 2.648 -5.705 -10.623 272 HD2 HIS 36 HD2 HIS 36 3.168 -8.569 -13.584 273 HE1 HIS 36 HE1 HIS 36 4.730 -6.953 -9.994 274 HE2 HIS 36 HE2 HIS 36 5.171 -8.468 -11.955 275 HB2 HIS 36 HB2 HIS 36 0.412 -6.530 -12.187 276 HB3 HIS 36 HB1 HIS 36 0.942 -7.088 -13.761 277 HA PRO 37 HA PRO 37 0.503 -2.355 -9.944 278 HB2 PRO 37 HB2 PRO 37 1.203 -4.912 -8.530 279 HB3 PRO 37 HB1 PRO 37 0.206 -3.564 -7.969 280 HG2 PRO 37 HG2 PRO 37 -0.893 -5.798 -8.961 281 HG3 PRO 37 HG1 PRO 37 -1.611 -4.202 -9.239 282 HD2 PRO 37 HD2 PRO 37 -0.254 -5.994 -11.133 283 HD3 PRO 37 HD1 PRO 37 -1.336 -4.627 -11.456 284 H HIS 38 HN HIS 38 2.210 -1.261 -9.077 285 HA HIS 38 HA HIS 38 4.513 -1.378 -10.579 286 HD2 HIS 38 HD2 HIS 38 6.256 0.385 -11.261 287 HE1 HIS 38 HE1 HIS 38 8.347 2.223 -8.060 288 HE2 HIS 38 HE2 HIS 38 8.328 1.749 -10.528 289 HB2 HIS 38 HB2 HIS 38 3.651 0.645 -9.476 290 HB3 HIS 38 HB1 HIS 38 4.159 -0.003 -7.920 291 H ILE 39 HN ILE 39 4.759 -1.604 -7.076 292 HA ILE 39 HA ILE 39 6.626 -3.816 -7.271 293 HB ILE 39 HB ILE 39 7.490 -1.058 -6.386 294 HG12 ILE 39 HG12 ILE 39 8.582 -2.999 -8.432 295 HG13 ILE 39 HG11 ILE 39 7.718 -1.503 -8.772 296 HG21 ILE 39 HG21 ILE 39 8.275 -2.606 -4.701 297 HG22 ILE 39 HG22 ILE 39 9.627 -2.067 -5.702 298 HG23 ILE 39 HG23 ILE 39 8.931 -3.670 -5.948 299 HD11 ILE 39 HD11 ILE 39 10.113 -1.269 -9.100 300 HD12 ILE 39 HD12 ILE 39 10.389 -1.718 -7.418 301 HD13 ILE 39 HD13 ILE 39 9.534 -0.224 -7.805 302 H PHE 40 HN PHE 40 6.417 -5.095 -5.525 303 HA PHE 40 HA PHE 40 4.502 -4.302 -3.539 304 HD1 PHE 40 HD2 PHE 40 6.202 -7.257 -5.948 305 HD2 PHE 40 HD1 PHE 40 6.793 -7.376 -1.732 306 HE1 PHE 40 HE2 PHE 40 8.163 -8.706 -6.265 307 HE2 PHE 40 HE1 PHE 40 8.751 -8.830 -2.046 308 HZ PHE 40 HZ PHE 40 9.440 -9.497 -4.314 309 HB2 PHE 40 HB2 PHE 40 4.732 -6.589 -2.664 310 HB3 PHE 40 HB1 PHE 40 4.444 -6.587 -4.397 311 H ILE 41 HN ILE 41 4.798 -3.992 -1.386 312 HA ILE 41 HA ILE 41 7.589 -3.602 -0.542 313 HB ILE 41 HB ILE 41 5.119 -2.106 0.361 314 HG12 ILE 41 HG12 ILE 41 5.938 -1.397 -1.838 315 HG13 ILE 41 HG11 ILE 41 6.244 -0.147 -0.638 316 HG21 ILE 41 HG21 ILE 41 6.653 -0.750 1.726 317 HG22 ILE 41 HG22 ILE 41 7.977 -1.831 1.290 318 HG23 ILE 41 HG23 ILE 41 6.620 -2.438 2.240 319 HD11 ILE 41 HD11 ILE 41 8.123 -0.438 -2.170 320 HD12 ILE 41 HD12 ILE 41 8.275 -2.120 -1.661 321 HD13 ILE 41 HD13 ILE 41 8.571 -0.819 -0.507 322 H ASP 42 HN ASP 42 8.270 -4.763 1.092 323 HA ASP 42 HA ASP 42 6.328 -6.064 2.867 324 HB2 ASP 42 HB2 ASP 42 6.936 -7.789 1.338 325 HB3 ASP 42 HB1 ASP 42 8.635 -7.335 1.388 326 H MET 43 HN MET 43 6.713 -5.210 4.805 327 HA MET 43 HA MET 43 9.310 -4.296 5.599 328 HB2 MET 43 HB2 MET 43 6.678 -4.548 7.019 329 HB3 MET 43 HB1 MET 43 8.144 -4.216 7.927 330 HG2 MET 43 HG2 MET 43 6.988 -2.166 7.453 331 HG3 MET 43 HG1 MET 43 8.513 -2.208 6.571 332 HE1 MET 43 HE1 MET 43 7.589 -0.143 5.116 333 HE2 MET 43 HE2 MET 43 6.069 -0.200 6.010 334 HE3 MET 43 HE3 MET 43 6.056 -0.191 4.247 335 H GLY 44 HN GLY 44 10.523 -6.222 5.229 336 HA2 GLY 44 HA2 GLY 44 10.133 -8.558 6.815 337 HA3 GLY 44 HA1 GLY 44 11.586 -8.142 5.913 338 H SER 45 HN SER 45 9.789 -7.262 8.826 339 HA SER 45 HA SER 45 10.415 -6.855 10.959 340 HG SER 45 HG SER 45 10.638 -9.148 10.807 341 HB2 SER 45 HB2 SER 45 13.105 -7.986 10.147 342 HB3 SER 45 HB1 SER 45 12.500 -7.799 11.795 343 H THR 46 HN THR 46 11.180 -5.061 8.536 344 HA THR 46 HA THR 46 13.066 -3.317 9.949 345 HB THR 46 HB THR 46 13.724 -3.924 7.655 346 HG1 THR 46 HG1 THR 46 14.130 -1.755 8.599 347 HG21 THR 46 HG21 THR 46 11.201 -2.489 6.818 348 HG22 THR 46 HG22 THR 46 11.505 -4.221 6.675 349 HG23 THR 46 HG23 THR 46 12.461 -3.076 5.733 350 H ASP 47 HN ASP 47 12.631 -1.014 9.930 351 HA ASP 47 HA ASP 47 9.886 -0.567 10.723 352 HB2 ASP 47 HB2 ASP 47 12.315 1.228 10.861 353 HB3 ASP 47 HB1 ASP 47 10.738 1.614 11.542 354 H GLU 48 HN GLU 48 12.053 0.496 8.154 355 HA GLU 48 HA GLU 48 9.752 1.771 6.875 356 HB2 GLU 48 HB2 GLU 48 11.086 3.740 6.244 357 HB3 GLU 48 HB1 GLU 48 10.899 3.603 7.986 358 HG2 GLU 48 HG2 GLU 48 13.142 2.801 8.223 359 HG3 GLU 48 HG1 GLU 48 13.343 2.708 6.476 360 H LYS 49 HN LYS 49 9.729 1.713 4.687 361 HA LYS 49 HA LYS 49 12.123 0.883 3.245 362 HB2 LYS 49 HB2 LYS 49 9.678 -0.743 3.528 363 HB3 LYS 49 HB1 LYS 49 10.249 -0.543 1.877 364 HG2 LYS 49 HG2 LYS 49 12.480 -1.355 2.615 365 HG3 LYS 49 HG1 LYS 49 11.774 -1.695 4.198 366 HD2 LYS 49 HD2 LYS 49 10.259 -3.285 3.255 367 HD3 LYS 49 HD1 LYS 49 10.722 -2.832 1.614 368 HE2 LYS 49 HE2 LYS 49 12.537 -4.107 3.658 369 HE3 LYS 49 HE1 LYS 49 11.745 -4.951 2.327 370 HZ1 LYS 49 HZ1 LYS 49 13.804 -2.818 2.115 371 HZ2 LYS 49 HZ2 LYS 49 12.947 -3.442 0.793 372 HZ3 LYS 49 HZ3 LYS 49 13.971 -4.453 1.692 373 H ILE 50 HN ILE 50 12.314 1.872 1.310 374 HA ILE 50 HA ILE 50 10.060 3.579 0.503 375 HB ILE 50 HB ILE 50 12.212 4.739 0.976 376 HG12 ILE 50 HG12 ILE 50 11.350 4.846 -1.924 377 HG13 ILE 50 HG11 ILE 50 10.562 5.690 -0.595 378 HG21 ILE 50 HG21 ILE 50 13.231 3.235 -1.430 379 HG22 ILE 50 HG22 ILE 50 13.737 2.977 0.241 380 HG23 ILE 50 HG23 ILE 50 14.086 4.509 -0.562 381 HD11 ILE 50 HD11 ILE 50 13.387 6.142 -1.527 382 HD12 ILE 50 HD12 ILE 50 12.569 7.007 -0.225 383 HD13 ILE 50 HD13 ILE 50 11.999 7.169 -1.887 384 H CYS 51 HN CYS 51 9.304 3.525 -1.608 385 HA CYS 51 HA CYS 51 9.958 1.087 -3.060 386 HB2 CYS 51 HB2 CYS 51 7.591 1.510 -2.694 387 HB3 CYS 51 HB1 CYS 51 7.729 3.101 -3.432 388 HA PRO 52 HA PRO 52 12.665 3.488 -5.724 389 HB2 PRO 52 HB2 PRO 52 12.571 0.942 -7.245 390 HB3 PRO 52 HB1 PRO 52 13.970 1.851 -6.663 391 HG2 PRO 52 HG2 PRO 52 13.221 -0.434 -5.493 392 HG3 PRO 52 HG1 PRO 52 13.859 0.924 -4.547 393 HD2 PRO 52 HD2 PRO 52 11.033 0.006 -4.880 394 HD3 PRO 52 HD1 PRO 52 11.851 0.640 -3.437 395 H TYR 53 HN TYR 53 12.379 4.460 -7.712 396 HA TYR 53 HA TYR 53 11.241 5.340 -9.461 397 HD1 TYR 53 HD1 TYR 53 12.071 4.617 -11.892 398 HD2 TYR 53 HD2 TYR 53 11.797 1.087 -9.521 399 HE1 TYR 53 HE1 TYR 53 14.194 3.831 -12.837 400 HE2 TYR 53 HE2 TYR 53 13.928 0.290 -10.470 401 HH TYR 53 HH TYR 53 15.991 2.341 -12.303 402 HB2 TYR 53 HB2 TYR 53 9.979 2.589 -9.600 403 HB3 TYR 53 HB1 TYR 53 9.891 3.816 -10.862 404 H CYS 54 HN CYS 54 10.277 5.663 -6.813 405 HA CYS 54 HA CYS 54 7.628 6.653 -7.413 406 HB2 CYS 54 HB2 CYS 54 8.077 4.479 -5.384 407 HB3 CYS 54 HB1 CYS 54 6.771 5.638 -5.186 408 H SER 55 HN SER 55 10.117 6.122 -4.923 409 HA SER 55 HA SER 55 10.467 7.081 -2.906 410 HG SER 55 HG SER 55 9.335 9.417 -5.169 411 HB2 SER 55 HB2 SER 55 10.743 9.615 -2.990 412 HB3 SER 55 HB1 SER 55 11.743 8.674 -4.091 413 H THR 56 HN THR 56 8.894 6.555 -1.566 414 HA THR 56 HA THR 56 6.668 8.264 -1.042 415 HB THR 56 HB THR 56 6.019 5.453 -1.953 416 HG1 THR 56 HG1 THR 56 6.280 7.792 -3.550 417 HG21 THR 56 HG21 THR 56 3.793 6.445 -2.349 418 HG22 THR 56 HG22 THR 56 4.399 7.990 -1.749 419 HG23 THR 56 HG23 THR 56 4.317 6.592 -0.673 420 H LEU 57 HN LEU 57 8.781 7.612 0.444 421 HA LEU 57 HA LEU 57 9.324 5.158 1.424 422 HG LEU 57 HG LEU 57 10.972 5.098 3.212 423 HB2 LEU 57 HB2 LEU 57 10.570 7.294 1.837 424 HB3 LEU 57 HB1 LEU 57 9.418 7.660 3.104 425 HD11 LEU 57 HD11 LEU 57 11.957 7.800 4.118 426 HD12 LEU 57 HD12 LEU 57 12.639 6.823 2.819 427 HD13 LEU 57 HD13 LEU 57 12.717 6.253 4.486 428 HD21 LEU 57 HD21 LEU 57 9.871 6.958 5.320 429 HD22 LEU 57 HD22 LEU 57 10.730 5.449 5.627 430 HD23 LEU 57 HD23 LEU 57 9.165 5.421 4.815 431 H TYR 58 HN TYR 58 8.175 3.678 2.331 432 HA TYR 58 HA TYR 58 5.785 4.367 3.839 433 HD1 TYR 58 HD2 TYR 58 3.631 3.371 2.293 434 HD2 TYR 58 HD1 TYR 58 7.295 1.906 0.700 435 HE1 TYR 58 HE2 TYR 58 2.781 3.736 0.014 436 HE2 TYR 58 HE1 TYR 58 6.457 2.274 -1.583 437 HH TYR 58 HH TYR 58 3.602 4.063 -2.223 438 HB2 TYR 58 HB2 TYR 58 6.833 1.655 3.002 439 HB3 TYR 58 HB1 TYR 58 5.236 2.000 3.658 440 H ARG 59 HN ARG 59 6.012 4.683 5.947 441 HA ARG 59 HA ARG 59 8.080 3.125 7.356 442 HE ARG 59 HE ARG 59 7.290 7.512 9.477 443 HB2 ARG 59 HB2 ARG 59 8.383 5.582 7.449 444 HB3 ARG 59 HB1 ARG 59 6.810 5.731 8.224 445 HG2 ARG 59 HG2 ARG 59 7.598 4.455 10.131 446 HG3 ARG 59 HG1 ARG 59 9.159 4.215 9.349 447 HD2 ARG 59 HD2 ARG 59 9.297 5.987 11.007 448 HD3 ARG 59 HD1 ARG 59 9.542 6.637 9.387 449 HH11 ARG 59 HH11 ARG 59 8.690 6.475 12.511 450 HH12 ARG 59 HH12 ARG 59 7.605 7.419 13.478 451 HH21 ARG 59 HH21 ARG 59 5.860 8.763 10.752 452 HH22 ARG 59 HH22 ARG 59 6.003 8.713 12.490 453 H TYR 60 HN TYR 60 7.488 1.655 8.756 454 HA TYR 60 HA TYR 60 4.666 1.442 9.497 455 HD1 TYR 60 HD1 TYR 60 3.268 -0.798 9.227 456 HD2 TYR 60 HD2 TYR 60 6.595 -1.827 11.667 457 HE1 TYR 60 HE1 TYR 60 1.828 -2.265 10.562 458 HE2 TYR 60 HE2 TYR 60 5.160 -3.302 13.012 459 HH TYR 60 HH TYR 60 2.010 -4.195 12.003 460 HB2 TYR 60 HB2 TYR 60 5.736 -0.531 8.482 461 HB3 TYR 60 HB1 TYR 60 6.947 -0.538 9.758 462 H ASP 61 HN ASP 61 4.314 2.718 11.225 463 HA ASP 61 HA ASP 61 6.130 2.436 13.528 464 HB2 ASP 61 HB2 ASP 61 5.872 4.754 12.561 465 HB3 ASP 61 HB1 ASP 61 4.172 4.690 13.017 466 HA PRO 62 HA PRO 62 2.979 0.077 15.543 467 HB2 PRO 62 HB2 PRO 62 4.116 1.297 18.003 468 HB3 PRO 62 HB1 PRO 62 3.860 -0.404 17.600 469 HG2 PRO 62 HG2 PRO 62 6.304 0.637 17.535 470 HG3 PRO 62 HG1 PRO 62 5.780 -0.517 16.293 471 HD2 PRO 62 HD2 PRO 62 6.041 2.458 16.130 472 HD3 PRO 62 HD1 PRO 62 6.437 1.221 14.917 473 H SER 63 HN SER 63 3.154 3.525 15.811 474 HA SER 63 HA SER 63 0.799 3.782 17.449 475 HG SER 63 HG SER 63 3.320 5.543 15.469 476 HB2 SER 63 HB2 SER 63 0.883 6.184 16.752 477 HB3 SER 63 HB1 SER 63 2.391 5.604 17.458 478 H LEU 64 HN LEU 64 1.426 3.063 14.207 479 HA LEU 64 HA LEU 64 -1.220 3.933 13.301 480 HG LEU 64 HG LEU 64 1.593 5.044 12.567 481 HB2 LEU 64 HB2 LEU 64 1.086 2.746 11.748 482 HB3 LEU 64 HB1 LEU 64 -0.406 3.356 11.057 483 HD11 LEU 64 HD11 LEU 64 2.551 4.254 10.483 484 HD12 LEU 64 HD12 LEU 64 2.165 5.972 10.375 485 HD13 LEU 64 HD13 LEU 64 1.116 4.782 9.603 486 HD21 LEU 64 HD21 LEU 64 -0.679 5.903 12.690 487 HD22 LEU 64 HD22 LEU 64 -0.833 5.786 10.937 488 HD23 LEU 64 HD23 LEU 64 0.316 6.920 11.648 489 H SER 65 HN SER 65 -1.864 2.079 11.430 490 HA SER 65 HA SER 65 -1.669 -0.592 12.393 491 HG SER 65 HG SER 65 -3.988 -1.511 14.174 492 HB2 SER 65 HB2 SER 65 -3.210 0.423 14.102 493 HB3 SER 65 HB1 SER 65 -4.350 0.764 12.804 494 H TYR 66 HN TYR 66 -4.004 -1.647 11.345 495 HA TYR 66 HA TYR 66 -3.374 -1.581 8.569 496 HD1 TYR 66 HD1 TYR 66 -2.814 -4.114 8.084 497 HD2 TYR 66 HD2 TYR 66 -4.993 -4.080 11.740 498 HE1 TYR 66 HE1 TYR 66 -1.340 -5.869 8.973 499 HE2 TYR 66 HE2 TYR 66 -3.524 -5.837 12.637 500 HH TYR 66 HH TYR 66 -2.050 -7.700 11.629 501 HB2 TYR 66 HB2 TYR 66 -5.768 -2.815 9.948 502 HB3 TYR 66 HB1 TYR 66 -5.215 -3.175 8.314 503 H ASN 67 HN ASN 67 -5.852 -0.102 10.553 504 HA ASN 67 HA ASN 67 -7.158 1.000 8.188 505 HB2 ASN 67 HB2 ASN 67 -8.476 0.042 10.125 506 HB3 ASN 67 HB1 ASN 67 -7.938 1.423 11.075 507 HD21 ASN 67 HD21 ASN 67 -8.762 1.481 7.659 508 HD22 ASN 67 HD22 ASN 67 -10.159 2.491 7.826 509 H GLN 68 HN GLN 68 -4.955 1.905 10.682 510 HA GLN 68 HA GLN 68 -5.321 4.751 10.236 511 HB2 GLN 68 HB2 GLN 68 -3.544 3.169 12.075 512 HB3 GLN 68 HB1 GLN 68 -3.302 4.891 11.828 513 HG2 GLN 68 HG2 GLN 68 -4.576 4.686 13.785 514 HG3 GLN 68 HG1 GLN 68 -5.697 5.211 12.533 515 HE21 GLN 68 HE21 GLN 68 -4.703 2.609 14.593 516 HE22 GLN 68 HE22 GLN 68 -6.120 1.632 14.384 517 H THR 69 HN THR 69 -4.376 5.772 8.657 518 HA THR 69 HA THR 69 -1.962 4.587 7.456 519 HB THR 69 HB THR 69 -3.949 4.394 6.023 520 HG1 THR 69 HG1 THR 69 -1.686 5.088 5.225 521 HG21 THR 69 HG21 THR 69 -4.999 6.394 5.065 522 HG22 THR 69 HG22 THR 69 -4.015 7.406 6.124 523 HG23 THR 69 HG23 THR 69 -5.212 6.310 6.814 524 H ASN 70 HN ASN 70 -2.070 7.138 5.697 525 HA ASN 70 HA ASN 70 -0.232 8.586 7.467 526 HB2 ASN 70 HB2 ASN 70 0.767 9.445 5.408 527 HB3 ASN 70 HB1 ASN 70 0.669 7.689 5.358 528 HD21 ASN 70 HD21 ASN 70 -0.482 10.663 4.005 529 HD22 ASN 70 HD22 ASN 70 -1.301 9.964 2.655 530 HA PRO 71 HA PRO 71 -2.374 12.410 7.824 531 HB2 PRO 71 HB2 PRO 71 -0.595 14.134 6.487 532 HB3 PRO 71 HB1 PRO 71 -0.591 13.746 8.209 533 HG2 PRO 71 HG2 PRO 71 1.051 12.608 6.003 534 HG3 PRO 71 HG1 PRO 71 1.489 12.909 7.695 535 HD2 PRO 71 HD2 PRO 71 0.988 10.436 6.820 536 HD3 PRO 71 HD1 PRO 71 0.462 10.957 8.435 537 H THR 72 HN THR 72 -3.712 13.809 6.739 538 HA THR 72 HA THR 72 -5.013 14.640 5.079 539 HB THR 72 HB THR 72 -2.966 13.565 3.128 540 HG1 THR 72 HG1 THR 72 -1.797 15.244 3.659 541 HG21 THR 72 HG21 THR 72 -5.122 15.661 2.809 542 HG22 THR 72 HG22 THR 72 -5.109 14.061 2.066 543 HG23 THR 72 HG23 THR 72 -3.901 15.259 1.603 544 H GLY 73 HN GLY 73 -3.678 11.440 4.223 545 HA2 GLY 73 HA2 GLY 73 -5.131 9.507 4.324 546 HA3 GLY 73 HA1 GLY 73 -6.457 10.539 3.813 547 H CYS 74 HN CYS 74 -4.018 8.406 2.812 548 HA CYS 74 HA CYS 74 -4.734 8.939 0.016 549 HG CYS 74 HG CYS 74 -3.326 11.144 0.765 550 HB2 CYS 74 HB2 CYS 74 -1.977 8.222 1.035 551 HB3 CYS 74 HB1 CYS 74 -2.430 8.378 -0.658 552 H LEU 75 HN LEU 75 -6.228 7.281 0.011 553 HA LEU 75 HA LEU 75 -5.103 4.578 0.015 554 HG LEU 75 HG LEU 75 -7.969 6.527 1.113 555 HB2 LEU 75 HB2 LEU 75 -7.050 3.728 1.242 556 HB3 LEU 75 HB1 LEU 75 -6.123 4.864 2.203 557 HD11 LEU 75 HD11 LEU 75 -9.178 4.730 0.015 558 HD12 LEU 75 HD12 LEU 75 -10.157 5.448 1.295 559 HD13 LEU 75 HD13 LEU 75 -9.366 3.894 1.557 560 HD21 LEU 75 HD21 LEU 75 -8.241 4.921 3.646 561 HD22 LEU 75 HD22 LEU 75 -9.092 6.422 3.280 562 HD23 LEU 75 HD23 LEU 75 -7.336 6.422 3.450 563 H TYR 76 HN TYR 76 -6.271 3.092 -1.323 564 HA TYR 76 HA TYR 76 -7.570 4.466 -3.517 565 HD1 TYR 76 HD1 TYR 76 -6.383 3.864 -6.008 566 HD2 TYR 76 HD2 TYR 76 -8.768 0.643 -4.583 567 HE1 TYR 76 HE1 TYR 76 -7.352 3.600 -8.252 568 HE2 TYR 76 HE2 TYR 76 -9.745 0.368 -6.821 569 HH TYR 76 HH TYR 76 -8.441 1.804 -9.592 570 HB2 TYR 76 HB2 TYR 76 -5.856 2.666 -3.885 571 HB3 TYR 76 HB1 TYR 76 -7.010 1.506 -3.234 572 H ASN 77 HN ASN 77 -9.606 5.025 -3.068 573 HA ASN 77 HA ASN 77 -11.410 3.255 -1.659 574 HB2 ASN 77 HB2 ASN 77 -11.422 5.803 -1.488 575 HB3 ASN 77 HB1 ASN 77 -12.103 5.816 -3.110 576 HD21 ASN 77 HD21 ASN 77 -12.778 3.587 -0.451 577 HD22 ASN 77 HD22 ASN 77 -14.454 3.996 -0.300 578 HA PRO 78 HA PRO 78 -12.393 1.022 -5.439 579 HB2 PRO 78 HB2 PRO 78 -14.734 0.232 -3.778 580 HB3 PRO 78 HB1 PRO 78 -13.609 -0.779 -4.693 581 HG2 PRO 78 HG2 PRO 78 -13.447 -0.630 -2.041 582 HG3 PRO 78 HG1 PRO 78 -11.984 -0.701 -3.041 583 HD2 PRO 78 HD2 PRO 78 -13.216 1.634 -1.642 584 HD3 PRO 78 HD1 PRO 78 -11.503 1.241 -1.891 585 H LYS 79 HN LYS 79 -13.301 1.985 -7.127 586 HA LYS 79 HA LYS 79 -15.377 3.945 -6.824 587 HB2 LYS 79 HB2 LYS 79 -14.280 2.708 -9.355 588 HB3 LYS 79 HB1 LYS 79 -15.248 4.170 -9.251 589 HG2 LYS 79 HG2 LYS 79 -13.438 5.249 -7.982 590 HG3 LYS 79 HG1 LYS 79 -12.466 3.787 -8.167 591 HD2 LYS 79 HD2 LYS 79 -12.657 4.043 -10.634 592 HD3 LYS 79 HD1 LYS 79 -13.488 5.577 -10.369 593 HE2 LYS 79 HE2 LYS 79 -11.183 6.034 -10.830 594 HE3 LYS 79 HE1 LYS 79 -11.491 6.377 -9.129 595 HZ1 LYS 79 HZ1 LYS 79 -10.249 3.892 -10.182 596 HZ2 LYS 79 HZ2 LYS 79 -10.514 4.259 -8.546 597 HZ3 LYS 79 HZ3 LYS 79 -9.414 5.176 -9.451 598 H LEU 80 HN LEU 80 -17.500 3.712 -7.088 599 HA LEU 80 HA LEU 80 -18.505 1.076 -7.911 600 HG LEU 80 HG LEU 80 -18.373 2.148 -4.959 601 HB2 LEU 80 HB2 LEU 80 -19.910 3.329 -6.464 602 HB3 LEU 80 HB1 LEU 80 -20.652 1.805 -6.910 603 HD11 LEU 80 HD11 LEU 80 -20.492 2.965 -4.085 604 HD12 LEU 80 HD12 LEU 80 -20.011 1.471 -3.281 605 HD13 LEU 80 HD13 LEU 80 -21.268 1.441 -4.517 606 HD21 LEU 80 HD21 LEU 80 -18.240 0.032 -6.181 607 HD22 LEU 80 HD22 LEU 80 -19.911 -0.325 -5.744 608 HD23 LEU 80 HD23 LEU 80 -18.675 -0.226 -4.491 609 H GLU 81 HN GLU 81 -18.122 1.489 -10.129 610 HA GLU 81 HA GLU 81 -19.290 3.825 -11.340 611 HB2 GLU 81 HB2 GLU 81 -17.129 2.872 -12.109 612 HB3 GLU 81 HB1 GLU 81 -17.995 1.453 -12.684 613 HG2 GLU 81 HG2 GLU 81 -19.248 2.815 -14.247 614 HG3 GLU 81 HG1 GLU 81 -18.463 4.271 -13.637 615 H HIS 82 HN HIS 82 -21.304 3.967 -11.836 616 HA HIS 82 HA HIS 82 -22.743 1.560 -12.737 617 HD1 HIS 82 HD1 HIS 82 -24.917 5.358 -12.240 618 HD2 HIS 82 HD2 HIS 82 -22.669 4.068 -8.980 619 HE1 HIS 82 HE1 HIS 82 -24.536 7.402 -10.818 620 HE2 HIS 82 HE2 HIS 82 -23.039 6.625 -8.937 621 HB2 HIS 82 HB2 HIS 82 -24.826 2.730 -11.875 622 HB3 HIS 82 HB1 HIS 82 -23.717 2.145 -10.642 623 H HIS 83 HN HIS 83 -21.227 3.170 -14.412 624 HA HIS 83 HA HIS 83 -22.774 5.165 -15.717 625 HD1 HIS 83 HD1 HIS 83 -20.030 7.138 -16.373 626 HD2 HIS 83 HD2 HIS 83 -21.893 4.940 -19.377 627 HE1 HIS 83 HE1 HIS 83 -20.337 8.731 -18.293 628 HE2 HIS 83 HE2 HIS 83 -21.713 7.453 -19.970 629 HB2 HIS 83 HB2 HIS 83 -20.199 4.707 -15.816 630 HB3 HIS 83 HB1 HIS 83 -20.624 3.604 -17.121 631 H HIS 84 HN HIS 84 -22.604 1.722 -15.874 632 HA HIS 84 HA HIS 84 -24.283 1.478 -18.213 633 HD1 HIS 84 HD1 HIS 84 -23.018 -1.553 -19.444 634 HD2 HIS 84 HD2 HIS 84 -26.399 -1.568 -17.024 635 HE1 HIS 84 HE1 HIS 84 -24.630 -3.144 -20.543 636 HE2 HIS 84 HE2 HIS 84 -26.569 -3.304 -18.940 637 HB2 HIS 84 HB2 HIS 84 -22.668 -0.299 -17.344 638 HB3 HIS 84 HB1 HIS 84 -23.814 -0.581 -16.042 639 H HIS 85 HN HIS 85 -26.250 2.410 -18.026 640 HA HIS 85 HA HIS 85 -27.374 3.200 -15.625 641 HD1 HIS 85 HD1 HIS 85 -31.185 2.561 -17.846 642 HD2 HIS 85 HD2 HIS 85 -27.634 2.173 -19.991 643 HE1 HIS 85 HE1 HIS 85 -31.788 1.308 -19.944 644 HE2 HIS 85 HE2 HIS 85 -29.650 1.171 -21.274 645 HB2 HIS 85 HB2 HIS 85 -29.336 3.853 -16.833 646 HB3 HIS 85 HB1 HIS 85 -27.935 4.175 -17.841 647 H HIS 86 HN HIS 86 -28.206 2.144 -14.043 648 HA HIS 86 HA HIS 86 -29.234 -0.538 -14.337 649 HD1 HIS 86 HD1 HIS 86 -29.001 -2.491 -12.276 650 HD2 HIS 86 HD2 HIS 86 -30.926 0.550 -10.180 651 HE1 HIS 86 HE1 HIS 86 -30.448 -3.643 -10.570 652 HE2 HIS 86 HE2 HIS 86 -31.445 -1.786 -9.191 653 HB2 HIS 86 HB2 HIS 86 -27.892 0.024 -12.378 654 HB3 HIS 86 HB1 HIS 86 -29.007 1.311 -11.944 655 H HIS 87 HN HIS 87 -31.383 -1.166 -13.980 656 HA HIS 87 HA HIS 87 -33.336 1.014 -13.793 657 HD1 HIS 87 HD1 HIS 87 -35.752 -2.294 -15.581 658 HD2 HIS 87 HD2 HIS 87 -31.653 -2.292 -16.285 659 HE1 HIS 87 HE1 HIS 87 -35.184 -4.637 -16.281 660 HE2 HIS 87 HE2 HIS 87 -32.674 -4.667 -16.469 661 HB2 HIS 87 HB2 HIS 87 -34.777 -0.022 -15.434 662 HB3 HIS 87 HB1 HIS 87 -33.189 0.211 -16.154 Start of MODEL 18 1 HA MET 1 HA MET 1 -5.328 -19.081 1.495 2 H1 MET 1 HT1 MET 1 -4.550 -17.894 -0.395 3 H2 MET 1 HT2 MET 1 -3.981 -19.487 -0.473 4 H3 MET 1 HT3 MET 1 -2.934 -18.231 -0.013 5 HB2 MET 1 HB2 MET 1 -2.401 -19.692 1.929 6 HB3 MET 1 HB1 MET 1 -3.623 -19.896 3.176 7 HG2 MET 1 HG2 MET 1 -4.801 -21.501 1.765 8 HG3 MET 1 HG1 MET 1 -3.580 -21.298 0.511 9 HE1 MET 1 HE1 MET 1 -3.363 -23.985 0.523 10 HE2 MET 1 HE2 MET 1 -4.509 -24.119 1.857 11 HE3 MET 1 HE3 MET 1 -2.941 -24.921 1.956 12 H ALA 2 HN ALA 2 -5.698 -16.725 1.257 13 HA ALA 2 HA ALA 2 -5.149 -15.347 3.624 14 HB1 ALA 2 HB1 ALA 2 -3.669 -13.560 2.841 15 HB2 ALA 2 HB2 ALA 2 -3.506 -14.365 1.280 16 HB3 ALA 2 HB3 ALA 2 -2.863 -15.128 2.734 17 H ASP 3 HN ASP 3 -5.763 -12.906 3.287 18 HA ASP 3 HA ASP 3 -8.055 -12.818 1.499 19 HB2 ASP 3 HB2 ASP 3 -8.220 -11.862 3.792 20 HB3 ASP 3 HB1 ASP 3 -7.003 -10.666 3.354 21 H TYR 4 HN TYR 4 -8.112 -11.735 -0.415 22 HA TYR 4 HA TYR 4 -5.483 -10.809 -1.333 23 HD1 TYR 4 HD2 TYR 4 -4.317 -12.808 -2.399 24 HD2 TYR 4 HD1 TYR 4 -8.426 -13.904 -2.494 25 HE1 TYR 4 HE2 TYR 4 -3.696 -15.149 -1.971 26 HE2 TYR 4 HE1 TYR 4 -7.819 -16.247 -2.065 27 HH TYR 4 HH TYR 4 -5.871 -17.727 -2.349 28 HB2 TYR 4 HB2 TYR 4 -7.845 -11.722 -2.982 29 HB3 TYR 4 HB1 TYR 4 -6.218 -11.394 -3.571 30 H ASN 5 HN ASN 5 -7.783 -9.274 0.036 31 HA ASN 5 HA ASN 5 -8.050 -7.178 -2.016 32 HB2 ASN 5 HB2 ASN 5 -9.777 -7.767 0.393 33 HB3 ASN 5 HB1 ASN 5 -9.949 -6.334 -0.612 34 HD21 ASN 5 HD21 ASN 5 -9.411 -7.690 -3.107 35 HD22 ASN 5 HD22 ASN 5 -10.813 -8.642 -3.450 36 H ILE 6 HN ILE 6 -5.845 -6.569 -1.418 37 HA ILE 6 HA ILE 6 -5.399 -5.470 1.201 38 HB ILE 6 HB ILE 6 -3.223 -4.716 0.306 39 HG12 ILE 6 HG12 ILE 6 -4.116 -6.031 -2.272 40 HG13 ILE 6 HG11 ILE 6 -3.964 -4.294 -2.024 41 HG21 ILE 6 HG21 ILE 6 -3.433 -6.925 1.285 42 HG22 ILE 6 HG22 ILE 6 -2.280 -6.952 -0.050 43 HG23 ILE 6 HG23 ILE 6 -3.906 -7.595 -0.278 44 HD11 ILE 6 HD11 ILE 6 -1.568 -4.571 -1.621 45 HD12 ILE 6 HD12 ILE 6 -2.043 -5.173 -3.210 46 HD13 ILE 6 HD13 ILE 6 -1.729 -6.305 -1.893 47 HA PRO 7 HA PRO 7 -6.944 -1.412 0.615 48 HB2 PRO 7 HB2 PRO 7 -4.571 -0.392 2.053 49 HB3 PRO 7 HB1 PRO 7 -6.283 -0.269 2.473 50 HG2 PRO 7 HG2 PRO 7 -4.633 -1.900 3.815 51 HG3 PRO 7 HG1 PRO 7 -6.319 -2.345 3.493 52 HD2 PRO 7 HD2 PRO 7 -3.822 -3.254 2.115 53 HD3 PRO 7 HD1 PRO 7 -5.265 -4.187 2.563 54 H HIS 8 HN HIS 8 -6.838 -0.468 -1.314 55 HA HIS 8 HA HIS 8 -4.255 0.131 -2.525 56 HD1 HIS 8 HD1 HIS 8 -7.936 -1.841 -3.622 57 HD2 HIS 8 HD2 HIS 8 -4.046 -1.538 -5.074 58 HE1 HIS 8 HE1 HIS 8 -7.393 -4.097 -4.586 59 HE2 HIS 8 HE2 HIS 8 -5.031 -3.910 -5.450 60 HB2 HIS 8 HB2 HIS 8 -7.071 0.508 -3.578 61 HB3 HIS 8 HB1 HIS 8 -5.603 0.846 -4.487 62 H PHE 9 HN PHE 9 -3.407 2.159 -2.669 63 HA PHE 9 HA PHE 9 -4.920 4.275 -1.287 64 HD1 PHE 9 HD2 PHE 9 -4.087 2.074 0.079 65 HD2 PHE 9 HD1 PHE 9 -1.971 5.595 1.189 66 HE1 PHE 9 HE2 PHE 9 -4.425 1.524 2.452 67 HE2 PHE 9 HE1 PHE 9 -2.309 5.052 3.563 68 HZ PHE 9 HZ PHE 9 -3.538 3.015 4.196 69 HB2 PHE 9 HB2 PHE 9 -2.003 3.597 -1.357 70 HB3 PHE 9 HB1 PHE 9 -2.501 5.253 -1.036 71 H GLN 10 HN GLN 10 -4.643 6.458 -2.012 72 HA GLN 10 HA GLN 10 -3.669 6.752 -4.764 73 HB2 GLN 10 HB2 GLN 10 -5.561 8.331 -5.181 74 HB3 GLN 10 HB1 GLN 10 -6.065 6.661 -4.962 75 HG2 GLN 10 HG2 GLN 10 -6.847 7.101 -2.759 76 HG3 GLN 10 HG1 GLN 10 -6.125 8.709 -2.760 77 HE21 GLN 10 HE21 GLN 10 -8.100 9.645 -2.276 78 HE22 GLN 10 HE22 GLN 10 -9.350 9.813 -3.459 79 H ASN 11 HN ASN 11 -3.227 9.027 -5.325 80 HA ASN 11 HA ASN 11 -2.122 10.435 -3.016 81 HB2 ASN 11 HB2 ASN 11 -0.830 11.735 -4.704 82 HB3 ASN 11 HB1 ASN 11 -0.501 10.009 -4.751 83 HD21 ASN 11 HD21 ASN 11 -0.190 12.142 -6.773 84 HD22 ASN 11 HD22 ASN 11 -1.057 11.591 -8.160 85 H ASP 12 HN ASP 12 -3.321 11.966 -2.164 86 HA ASP 12 HA ASP 12 -5.391 13.284 -3.693 87 HB2 ASP 12 HB2 ASP 12 -5.855 12.673 -1.383 88 HB3 ASP 12 HB1 ASP 12 -4.498 13.650 -0.828 89 H LEU 13 HN LEU 13 -2.588 14.376 -1.798 90 HA LEU 13 HA LEU 13 -2.391 16.696 -3.591 91 HG LEU 13 HG LEU 13 -2.261 15.422 -0.149 92 HB2 LEU 13 HB2 LEU 13 -1.130 17.763 -1.667 93 HB3 LEU 13 HB1 LEU 13 -2.856 17.553 -1.457 94 HD11 LEU 13 HD11 LEU 13 0.425 16.787 -0.055 95 HD12 LEU 13 HD12 LEU 13 0.073 15.258 -0.858 96 HD13 LEU 13 HD13 LEU 13 -0.067 15.385 0.895 97 HD21 LEU 13 HD21 LEU 13 -1.917 16.692 1.906 98 HD22 LEU 13 HD22 LEU 13 -3.130 17.456 0.878 99 HD23 LEU 13 HD23 LEU 13 -1.498 18.121 0.960 100 H GLY 14 HN GLY 14 -1.191 13.822 -3.396 101 HA2 GLY 14 HA2 GLY 14 0.804 13.344 -4.737 102 HA3 GLY 14 HA1 GLY 14 1.599 14.653 -3.871 103 H TYR 15 HN TYR 15 3.201 12.869 -3.517 104 HA TYR 15 HA TYR 15 2.889 11.917 -0.845 105 HD1 TYR 15 HD2 TYR 15 5.102 9.235 -3.163 106 HD2 TYR 15 HD1 TYR 15 1.009 9.920 -4.110 107 HE1 TYR 15 HE2 TYR 15 5.489 8.382 -5.436 108 HE2 TYR 15 HE1 TYR 15 1.388 9.068 -6.383 109 HH TYR 15 HH TYR 15 3.252 8.775 -7.956 110 HB2 TYR 15 HB2 TYR 15 3.310 9.510 -1.383 111 HB3 TYR 15 HB1 TYR 15 1.721 10.082 -1.869 112 H LYS 16 HN LYS 16 4.861 11.020 0.007 113 HA LYS 16 HA LYS 16 7.232 10.898 -1.597 114 HB2 LYS 16 HB2 LYS 16 6.972 13.352 -1.292 115 HB3 LYS 16 HB1 LYS 16 7.001 13.119 0.449 116 HG2 LYS 16 HG2 LYS 16 9.270 12.392 0.389 117 HG3 LYS 16 HG1 LYS 16 9.261 12.342 -1.376 118 HD2 LYS 16 HD2 LYS 16 10.391 14.347 -0.578 119 HD3 LYS 16 HD1 LYS 16 8.912 14.765 -1.444 120 HE2 LYS 16 HE2 LYS 16 7.781 14.857 0.823 121 HE3 LYS 16 HE1 LYS 16 9.395 14.772 1.526 122 HZ1 LYS 16 HZ1 LYS 16 9.967 16.781 0.253 123 HZ2 LYS 16 HZ2 LYS 16 8.707 17.049 1.354 124 HZ3 LYS 16 HZ3 LYS 16 8.366 16.877 -0.296 125 H ILE 17 HN ILE 17 5.849 11.217 1.633 126 HA ILE 17 HA ILE 17 7.194 8.697 2.327 127 HB ILE 17 HB ILE 17 6.947 11.084 4.185 128 HG12 ILE 17 HG12 ILE 17 9.400 9.665 3.122 129 HG13 ILE 17 HG11 ILE 17 8.837 11.253 2.611 130 HG21 ILE 17 HG21 ILE 17 6.485 9.010 5.361 131 HG22 ILE 17 HG22 ILE 17 8.051 9.655 5.853 132 HG23 ILE 17 HG23 ILE 17 7.970 8.298 4.729 133 HD11 ILE 17 HD11 ILE 17 9.204 12.097 4.879 134 HD12 ILE 17 HD12 ILE 17 10.680 11.451 4.162 135 HD13 ILE 17 HD13 ILE 17 9.797 10.509 5.363 136 H ILE 18 HN ILE 18 5.546 7.337 2.441 137 HA ILE 18 HA ILE 18 3.038 8.266 3.737 138 HB ILE 18 HB ILE 18 3.477 5.931 1.862 139 HG12 ILE 18 HG12 ILE 18 1.997 8.548 1.504 140 HG13 ILE 18 HG11 ILE 18 3.524 8.115 0.743 141 HG21 ILE 18 HG21 ILE 18 1.777 5.389 3.511 142 HG22 ILE 18 HG22 ILE 18 1.040 5.648 1.929 143 HG23 ILE 18 HG23 ILE 18 0.935 6.900 3.166 144 HD11 ILE 18 HD11 ILE 18 2.405 6.327 -0.485 145 HD12 ILE 18 HD12 ILE 18 1.665 7.897 -0.805 146 HD13 ILE 18 HD13 ILE 18 0.877 6.756 0.285 147 H GLU 19 HN GLU 19 2.759 7.657 5.757 148 HA GLU 19 HA GLU 19 4.156 5.322 6.799 149 HB2 GLU 19 HB2 GLU 19 2.398 7.316 8.242 150 HB3 GLU 19 HB1 GLU 19 3.424 6.102 8.989 151 HG2 GLU 19 HG2 GLU 19 5.403 7.212 8.124 152 HG3 GLU 19 HG1 GLU 19 4.388 8.418 7.333 153 H ILE 20 HN ILE 20 3.195 3.406 7.166 154 HA ILE 20 HA ILE 20 0.255 3.281 7.009 155 HB ILE 20 HB ILE 20 0.480 1.069 5.885 156 HG12 ILE 20 HG12 ILE 20 3.367 1.904 5.509 157 HG13 ILE 20 HG11 ILE 20 2.815 0.614 6.573 158 HG21 ILE 20 HG21 ILE 20 0.965 1.975 3.656 159 HG22 ILE 20 HG22 ILE 20 1.643 3.423 4.403 160 HG23 ILE 20 HG23 ILE 20 -0.069 3.048 4.601 161 HD11 ILE 20 HD11 ILE 20 3.695 -0.266 4.490 162 HD12 ILE 20 HD12 ILE 20 2.517 0.678 3.579 163 HD13 ILE 20 HD13 ILE 20 1.974 -0.618 4.647 164 H GLY 21 HN GLY 21 -0.763 1.759 8.296 165 HA2 GLY 21 HA2 GLY 21 0.903 0.625 10.432 166 HA3 GLY 21 HA1 GLY 21 -0.836 0.879 10.510 167 H VAL 22 HN VAL 22 0.814 -0.567 7.793 168 HA VAL 22 HA VAL 22 -0.444 -3.149 8.453 169 HB VAL 22 HB VAL 22 0.028 -2.146 5.642 170 HG11 VAL 22 HG11 VAL 22 -0.166 -4.565 5.905 171 HG12 VAL 22 HG12 VAL 22 -1.544 -3.902 5.024 172 HG13 VAL 22 HG13 VAL 22 -1.716 -4.355 6.719 173 HG21 VAL 22 HG21 VAL 22 -1.542 -0.616 6.668 174 HG22 VAL 22 HG22 VAL 22 -2.506 -1.964 7.268 175 HG23 VAL 22 HG23 VAL 22 -2.391 -1.667 5.535 176 H LYS 23 HN LYS 23 0.739 -5.034 7.806 177 HA LYS 23 HA LYS 23 3.593 -4.611 8.054 178 HB2 LYS 23 HB2 LYS 23 1.896 -6.470 9.076 179 HB3 LYS 23 HB1 LYS 23 2.526 -7.348 7.691 180 HG2 LYS 23 HG2 LYS 23 4.200 -6.106 9.868 181 HG3 LYS 23 HG1 LYS 23 3.762 -7.812 9.762 182 HD2 LYS 23 HD2 LYS 23 4.883 -7.823 7.496 183 HD3 LYS 23 HD1 LYS 23 5.507 -6.221 7.895 184 HE2 LYS 23 HE2 LYS 23 5.985 -8.738 9.483 185 HE3 LYS 23 HE1 LYS 23 7.132 -7.994 8.373 186 HZ1 LYS 23 HZ1 LYS 23 6.082 -6.778 10.873 187 HZ2 LYS 23 HZ2 LYS 23 7.156 -6.024 9.794 188 HZ3 LYS 23 HZ3 LYS 23 7.636 -7.406 10.636 189 H GLU 24 HN GLU 24 1.284 -5.675 5.648 190 HA GLU 24 HA GLU 24 3.476 -5.841 3.694 191 HB2 GLU 24 HB2 GLU 24 1.982 -7.460 2.429 192 HB3 GLU 24 HB1 GLU 24 2.741 -8.070 3.892 193 HG2 GLU 24 HG2 GLU 24 -0.036 -6.964 3.970 194 HG3 GLU 24 HG1 GLU 24 0.262 -8.612 3.419 195 H PHE 25 HN PHE 25 3.199 -4.843 1.749 196 HA PHE 25 HA PHE 25 0.631 -3.752 0.984 197 HD1 PHE 25 HD2 PHE 25 -0.563 -1.604 2.578 198 HD2 PHE 25 HD1 PHE 25 2.136 -0.407 -0.488 199 HE1 PHE 25 HE2 PHE 25 -2.206 0.043 1.780 200 HE2 PHE 25 HE1 PHE 25 0.497 1.244 -1.290 201 HZ PHE 25 HZ PHE 25 -1.674 1.470 -0.157 202 HB2 PHE 25 HB2 PHE 25 1.833 -2.155 2.672 203 HB3 PHE 25 HB1 PHE 25 2.884 -1.785 1.311 204 H MET 26 HN MET 26 0.864 -2.580 -1.171 205 HA MET 26 HA MET 26 3.352 -3.126 -2.574 206 HB2 MET 26 HB2 MET 26 1.866 -5.125 -2.934 207 HB3 MET 26 HB1 MET 26 0.729 -4.055 -3.751 208 HG2 MET 26 HG2 MET 26 2.285 -3.565 -5.466 209 HG3 MET 26 HG1 MET 26 3.598 -4.333 -4.581 210 HE1 MET 26 HE1 MET 26 4.480 -5.888 -6.341 211 HE2 MET 26 HE2 MET 26 3.442 -5.023 -7.473 212 HE3 MET 26 HE3 MET 26 3.471 -6.788 -7.475 213 H CYS 27 HN CYS 27 3.757 -1.744 -4.257 214 HA CYS 27 HA CYS 27 2.476 0.790 -4.055 215 HB2 CYS 27 HB2 CYS 27 4.840 0.673 -4.467 216 HB3 CYS 27 HB1 CYS 27 4.589 -0.263 -5.936 217 H VAL 28 HN VAL 28 1.031 1.770 -5.305 218 HA VAL 28 HA VAL 28 -0.096 0.282 -7.578 219 HB VAL 28 HB VAL 28 -1.539 0.841 -5.563 220 HG11 VAL 28 HG11 VAL 28 -1.309 3.637 -6.651 221 HG12 VAL 28 HG12 VAL 28 -0.716 3.056 -5.094 222 HG13 VAL 28 HG13 VAL 28 -2.450 3.109 -5.415 223 HG21 VAL 28 HG21 VAL 28 -2.466 1.900 -8.233 224 HG22 VAL 28 HG22 VAL 28 -3.507 1.429 -6.888 225 HG23 VAL 28 HG23 VAL 28 -2.519 0.218 -7.704 226 H GLY 29 HN GLY 29 -1.438 2.459 -8.812 227 HA2 GLY 29 HA2 GLY 29 0.432 4.603 -9.288 228 HA3 GLY 29 HA1 GLY 29 0.289 3.476 -10.632 229 H ALA 30 HN ALA 30 -0.433 5.699 -11.550 230 HA ALA 30 HA ALA 30 -3.114 6.500 -10.843 231 HB1 ALA 30 HB1 ALA 30 -2.848 8.231 -12.521 232 HB2 ALA 30 HB2 ALA 30 -1.368 7.468 -13.103 233 HB3 ALA 30 HB3 ALA 30 -1.421 8.164 -11.485 234 H THR 31 HN THR 31 -2.041 6.201 -14.188 235 HA THR 31 HA THR 31 -4.433 4.639 -14.793 236 HB THR 31 HB THR 31 -3.659 5.048 -17.202 237 HG1 THR 31 HG1 THR 31 -1.992 6.383 -17.539 238 HG21 THR 31 HG21 THR 31 -5.476 6.307 -16.140 239 HG22 THR 31 HG22 THR 31 -4.533 7.333 -17.222 240 HG23 THR 31 HG23 THR 31 -4.300 7.443 -15.477 241 H GLN 32 HN GLN 32 -1.056 4.582 -15.920 242 HA GLN 32 HA GLN 32 -1.086 1.659 -15.580 243 HB2 GLN 32 HB2 GLN 32 0.304 3.371 -17.630 244 HB3 GLN 32 HB1 GLN 32 0.852 1.738 -17.271 245 HG2 GLN 32 HG2 GLN 32 -1.889 2.504 -18.254 246 HG3 GLN 32 HG1 GLN 32 -0.603 1.777 -19.221 247 HE21 GLN 32 HE21 GLN 32 -2.971 1.253 -16.731 248 HE22 GLN 32 HE22 GLN 32 -2.877 -0.476 -16.715 249 HA PRO 33 HA PRO 33 1.737 3.007 -12.348 250 HB2 PRO 33 HB2 PRO 33 1.558 0.203 -11.507 251 HB3 PRO 33 HB1 PRO 33 1.094 1.663 -10.631 252 HG2 PRO 33 HG2 PRO 33 -0.729 -0.074 -11.590 253 HG3 PRO 33 HG1 PRO 33 -1.035 1.670 -11.501 254 HD2 PRO 33 HD2 PRO 33 -0.264 -0.004 -13.861 255 HD3 PRO 33 HD1 PRO 33 -1.439 1.326 -13.758 256 H PHE 34 HN PHE 34 2.011 0.180 -14.392 257 HA PHE 34 HA PHE 34 4.717 0.392 -14.979 258 HD1 PHE 34 HD1 PHE 34 7.039 0.472 -13.879 259 HD2 PHE 34 HD2 PHE 34 5.591 -3.467 -13.178 260 HE1 PHE 34 HE1 PHE 34 9.299 -0.427 -14.267 261 HE2 PHE 34 HE2 PHE 34 7.842 -4.372 -13.569 262 HZ PHE 34 HZ PHE 34 9.701 -2.848 -14.112 263 HB2 PHE 34 HB2 PHE 34 4.880 -0.120 -12.488 264 HB3 PHE 34 HB1 PHE 34 4.182 -1.692 -12.840 265 H ASP 35 HN ASP 35 5.513 -1.816 -15.889 266 HA ASP 35 HA ASP 35 3.673 -2.933 -17.673 267 HB2 ASP 35 HB2 ASP 35 6.110 -3.069 -17.971 268 HB3 ASP 35 HB1 ASP 35 6.232 -4.124 -16.569 269 H HIS 36 HN HIS 36 4.590 -3.802 -14.436 270 HA HIS 36 HA HIS 36 2.303 -5.648 -14.275 271 HD1 HIS 36 HD1 HIS 36 6.592 -7.289 -14.341 272 HD2 HIS 36 HD2 HIS 36 2.626 -8.064 -15.313 273 HE1 HIS 36 HE1 HIS 36 6.672 -8.946 -16.227 274 HE2 HIS 36 HE2 HIS 36 4.267 -9.582 -16.614 275 HB2 HIS 36 HB2 HIS 36 5.030 -5.959 -12.973 276 HB3 HIS 36 HB1 HIS 36 3.631 -6.948 -12.577 277 HA PRO 37 HA PRO 37 1.292 -3.427 -10.370 278 HB2 PRO 37 HB2 PRO 37 2.234 -5.836 -8.867 279 HB3 PRO 37 HB1 PRO 37 0.760 -4.884 -8.647 280 HG2 PRO 37 HG2 PRO 37 0.669 -7.252 -9.852 281 HG3 PRO 37 HG1 PRO 37 -0.316 -5.899 -10.437 282 HD2 PRO 37 HD2 PRO 37 2.171 -7.072 -11.587 283 HD3 PRO 37 HD1 PRO 37 0.775 -6.350 -12.412 284 H HIS 38 HN HIS 38 2.602 -1.967 -9.310 285 HA HIS 38 HA HIS 38 5.054 -1.671 -10.482 286 HD2 HIS 38 HD2 HIS 38 5.748 0.327 -11.587 287 HE1 HIS 38 HE1 HIS 38 7.862 2.936 -9.013 288 HE2 HIS 38 HE2 HIS 38 7.410 2.290 -11.400 289 HB2 HIS 38 HB2 HIS 38 3.573 0.079 -9.286 290 HB3 HIS 38 HB1 HIS 38 4.554 -0.311 -7.875 291 H ILE 39 HN ILE 39 4.856 -2.026 -6.980 292 HA ILE 39 HA ILE 39 7.282 -3.653 -7.015 293 HB ILE 39 HB ILE 39 7.106 -0.984 -5.603 294 HG12 ILE 39 HG12 ILE 39 7.764 -0.946 -8.011 295 HG13 ILE 39 HG11 ILE 39 9.015 -0.343 -6.931 296 HG21 ILE 39 HG21 ILE 39 8.116 -2.593 -4.100 297 HG22 ILE 39 HG22 ILE 39 9.338 -1.469 -4.698 298 HG23 ILE 39 HG23 ILE 39 9.238 -3.100 -5.364 299 HD11 ILE 39 HD11 ILE 39 8.924 -3.068 -8.211 300 HD12 ILE 39 HD12 ILE 39 10.166 -2.503 -7.094 301 HD13 ILE 39 HD13 ILE 39 9.974 -1.725 -8.665 302 H PHE 40 HN PHE 40 7.195 -5.209 -5.512 303 HA PHE 40 HA PHE 40 5.090 -5.361 -3.580 304 HD1 PHE 40 HD2 PHE 40 7.358 -7.387 -6.246 305 HD2 PHE 40 HD1 PHE 40 4.271 -8.301 -3.462 306 HE1 PHE 40 HE2 PHE 40 6.240 -8.768 -7.947 307 HE2 PHE 40 HE1 PHE 40 3.149 -9.687 -5.156 308 HZ PHE 40 HZ PHE 40 4.131 -9.922 -7.403 309 HB2 PHE 40 HB2 PHE 40 7.642 -6.978 -3.888 310 HB3 PHE 40 HB1 PHE 40 6.371 -7.353 -2.733 311 H ILE 41 HN ILE 41 5.087 -4.684 -1.502 312 HA ILE 41 HA ILE 41 7.616 -3.635 -0.427 313 HB ILE 41 HB ILE 41 4.861 -2.470 0.038 314 HG12 ILE 41 HG12 ILE 41 7.152 -1.350 -1.591 315 HG13 ILE 41 HG11 ILE 41 5.755 -2.164 -2.287 316 HG21 ILE 41 HG21 ILE 41 6.106 -0.613 1.081 317 HG22 ILE 41 HG22 ILE 41 7.602 -1.526 0.873 318 HG23 ILE 41 HG23 ILE 41 6.333 -2.139 1.933 319 HD11 ILE 41 HD11 ILE 41 5.539 0.242 -2.433 320 HD12 ILE 41 HD12 ILE 41 5.704 0.380 -0.683 321 HD13 ILE 41 HD13 ILE 41 4.299 -0.433 -1.374 322 H ASP 42 HN ASP 42 8.013 -5.564 0.689 323 HA ASP 42 HA ASP 42 6.091 -6.279 2.782 324 HB2 ASP 42 HB2 ASP 42 6.991 -8.398 2.822 325 HB3 ASP 42 HB1 ASP 42 7.329 -7.969 1.149 326 H MET 43 HN MET 43 6.890 -6.621 4.962 327 HA MET 43 HA MET 43 9.124 -4.801 5.567 328 HB2 MET 43 HB2 MET 43 6.421 -5.063 6.819 329 HB3 MET 43 HB1 MET 43 7.777 -4.509 7.793 330 HG2 MET 43 HG2 MET 43 6.866 -3.238 5.222 331 HG3 MET 43 HG1 MET 43 6.455 -2.669 6.840 332 HE1 MET 43 HE1 MET 43 7.732 -0.743 4.717 333 HE2 MET 43 HE2 MET 43 8.951 0.071 5.698 334 HE3 MET 43 HE3 MET 43 7.360 -0.273 6.377 335 H GLY 44 HN GLY 44 9.618 -7.502 5.188 336 HA2 GLY 44 HA2 GLY 44 9.644 -9.111 7.443 337 HA3 GLY 44 HA1 GLY 44 10.918 -9.097 6.230 338 H SER 45 HN SER 45 12.049 -6.686 6.501 339 HA SER 45 HA SER 45 12.304 -5.729 9.155 340 HG SER 45 HG SER 45 15.643 -6.006 9.617 341 HB2 SER 45 HB2 SER 45 13.687 -7.851 9.260 342 HB3 SER 45 HB1 SER 45 14.767 -7.121 8.073 343 H THR 46 HN THR 46 12.039 -3.697 8.375 344 HA THR 46 HA THR 46 14.233 -2.527 6.910 345 HB THR 46 HB THR 46 11.472 -2.302 5.695 346 HG1 THR 46 HG1 THR 46 13.406 -4.244 5.394 347 HG21 THR 46 HG21 THR 46 12.989 -0.412 5.280 348 HG22 THR 46 HG22 THR 46 12.666 -1.323 3.805 349 HG23 THR 46 HG23 THR 46 14.200 -1.531 4.651 350 H ASP 47 HN ASP 47 11.004 -2.137 8.218 351 HA ASP 47 HA ASP 47 10.124 -0.691 9.726 352 HB2 ASP 47 HB2 ASP 47 12.436 -0.563 10.709 353 HB3 ASP 47 HB1 ASP 47 12.741 0.822 9.667 354 H GLU 48 HN GLU 48 12.197 0.984 7.406 355 HA GLU 48 HA GLU 48 9.832 2.423 6.424 356 HB2 GLU 48 HB2 GLU 48 11.570 4.313 5.962 357 HB3 GLU 48 HB1 GLU 48 10.884 4.142 7.573 358 HG2 GLU 48 HG2 GLU 48 12.872 2.904 8.284 359 HG3 GLU 48 HG1 GLU 48 13.559 3.098 6.671 360 H LYS 49 HN LYS 49 9.490 1.821 4.386 361 HA LYS 49 HA LYS 49 11.816 0.920 2.809 362 HB2 LYS 49 HB2 LYS 49 9.678 -0.593 3.605 363 HB3 LYS 49 HB1 LYS 49 9.161 -0.059 2.012 364 HG2 LYS 49 HG2 LYS 49 11.403 -0.889 1.168 365 HG3 LYS 49 HG1 LYS 49 11.580 -1.673 2.739 366 HD2 LYS 49 HD2 LYS 49 9.359 -2.774 2.317 367 HD3 LYS 49 HD1 LYS 49 9.447 -2.153 0.668 368 HE2 LYS 49 HE2 LYS 49 10.269 -4.352 0.550 369 HE3 LYS 49 HE1 LYS 49 11.697 -3.320 0.510 370 HZ1 LYS 49 HZ1 LYS 49 11.965 -3.733 2.911 371 HZ2 LYS 49 HZ2 LYS 49 12.066 -5.154 1.994 372 HZ3 LYS 49 HZ3 LYS 49 10.650 -4.802 2.863 373 H ILE 50 HN ILE 50 12.269 2.361 1.251 374 HA ILE 50 HA ILE 50 10.168 4.003 0.121 375 HB ILE 50 HB ILE 50 12.447 4.941 0.553 376 HG12 ILE 50 HG12 ILE 50 11.576 5.006 -2.349 377 HG13 ILE 50 HG11 ILE 50 10.883 5.981 -1.058 378 HG21 ILE 50 HG21 ILE 50 13.775 3.000 -0.105 379 HG22 ILE 50 HG22 ILE 50 14.263 4.441 -0.998 380 HG23 ILE 50 HG23 ILE 50 13.266 3.217 -1.782 381 HD11 ILE 50 HD11 ILE 50 12.448 7.255 -2.403 382 HD12 ILE 50 HD12 ILE 50 13.729 6.105 -2.024 383 HD13 ILE 50 HD13 ILE 50 13.024 7.096 -0.745 384 H CYS 51 HN CYS 51 9.343 3.825 -1.934 385 HA CYS 51 HA CYS 51 9.879 1.297 -3.284 386 HB2 CYS 51 HB2 CYS 51 7.546 1.717 -2.926 387 HB3 CYS 51 HB1 CYS 51 7.675 3.336 -3.605 388 HA PRO 52 HA PRO 52 12.555 3.392 -6.194 389 HB2 PRO 52 HB2 PRO 52 12.031 0.890 -7.705 390 HB3 PRO 52 HB1 PRO 52 13.569 1.640 -7.272 391 HG2 PRO 52 HG2 PRO 52 12.718 -0.548 -6.013 392 HG3 PRO 52 HG1 PRO 52 13.554 0.746 -5.132 393 HD2 PRO 52 HD2 PRO 52 10.641 0.097 -5.235 394 HD3 PRO 52 HD1 PRO 52 11.626 0.643 -3.863 395 H TYR 53 HN TYR 53 12.345 4.280 -8.259 396 HA TYR 53 HA TYR 53 11.276 5.288 -9.988 397 HD1 TYR 53 HD1 TYR 53 11.987 3.878 -12.365 398 HD2 TYR 53 HD2 TYR 53 10.534 0.997 -9.594 399 HE1 TYR 53 HE1 TYR 53 13.639 2.256 -13.192 400 HE2 TYR 53 HE2 TYR 53 12.186 -0.630 -10.409 401 HH TYR 53 HH TYR 53 13.526 -1.079 -12.349 402 HB2 TYR 53 HB2 TYR 53 9.329 2.976 -9.936 403 HB3 TYR 53 HB1 TYR 53 9.687 4.037 -11.288 404 H CYS 54 HN CYS 54 10.428 5.773 -7.183 405 HA CYS 54 HA CYS 54 7.900 7.087 -7.777 406 HB2 CYS 54 HB2 CYS 54 8.161 5.024 -5.589 407 HB3 CYS 54 HB1 CYS 54 6.859 6.205 -5.659 408 H SER 55 HN SER 55 9.923 6.281 -4.907 409 HA SER 55 HA SER 55 10.324 7.447 -3.005 410 HG SER 55 HG SER 55 11.593 8.919 -5.467 411 HB2 SER 55 HB2 SER 55 9.783 9.914 -4.685 412 HB3 SER 55 HB1 SER 55 10.476 9.913 -3.064 413 H THR 56 HN THR 56 8.927 7.483 -1.292 414 HA THR 56 HA THR 56 6.388 8.493 -1.147 415 HB THR 56 HB THR 56 5.802 7.158 -3.109 416 HG1 THR 56 HG1 THR 56 4.694 6.717 -0.635 417 HG21 THR 56 HG21 THR 56 7.528 5.447 -2.939 418 HG22 THR 56 HG22 THR 56 5.931 4.708 -3.071 419 HG23 THR 56 HG23 THR 56 6.744 4.780 -1.506 420 H LEU 57 HN LEU 57 8.833 6.293 -0.426 421 HA LEU 57 HA LEU 57 9.330 4.962 1.388 422 HG LEU 57 HG LEU 57 10.907 5.419 3.111 423 HB2 LEU 57 HB2 LEU 57 10.084 7.395 1.624 424 HB3 LEU 57 HB1 LEU 57 8.806 7.548 2.811 425 HD11 LEU 57 HD11 LEU 57 12.102 7.519 2.787 426 HD12 LEU 57 HD12 LEU 57 12.219 6.970 4.458 427 HD13 LEU 57 HD13 LEU 57 11.115 8.279 4.036 428 HD21 LEU 57 HD21 LEU 57 9.239 6.964 5.097 429 HD22 LEU 57 HD22 LEU 57 10.393 5.689 5.483 430 HD23 LEU 57 HD23 LEU 57 8.938 5.310 4.562 431 H TYR 58 HN TYR 58 7.622 3.493 1.583 432 HA TYR 58 HA TYR 58 5.415 4.123 3.328 433 HD1 TYR 58 HD1 TYR 58 6.141 2.680 -0.203 434 HD2 TYR 58 HD2 TYR 58 2.857 2.599 2.499 435 HE1 TYR 58 HE1 TYR 58 4.627 3.309 -2.034 436 HE2 TYR 58 HE2 TYR 58 1.334 3.226 0.672 437 HH TYR 58 HH TYR 58 1.471 4.368 -1.532 438 HB2 TYR 58 HB2 TYR 58 6.316 1.578 1.984 439 HB3 TYR 58 HB1 TYR 58 4.969 1.621 3.117 440 H ARG 59 HN ARG 59 5.608 4.189 5.418 441 HA ARG 59 HA ARG 59 7.762 2.636 6.689 442 HE ARG 59 HE ARG 59 7.669 5.525 11.670 443 HB2 ARG 59 HB2 ARG 59 8.096 4.999 6.974 444 HB3 ARG 59 HB1 ARG 59 6.432 5.224 7.500 445 HG2 ARG 59 HG2 ARG 59 6.896 3.916 9.514 446 HG3 ARG 59 HG1 ARG 59 8.567 3.706 8.984 447 HD2 ARG 59 HD2 ARG 59 8.931 6.096 9.089 448 HD3 ARG 59 HD1 ARG 59 7.241 6.361 9.523 449 HH11 ARG 59 HH11 ARG 59 10.540 5.452 9.653 450 HH12 ARG 59 HH12 ARG 59 11.620 5.196 10.984 451 HH21 ARG 59 HH21 ARG 59 9.086 5.213 13.412 452 HH22 ARG 59 HH22 ARG 59 10.791 5.068 13.124 453 H TYR 60 HN TYR 60 7.137 0.943 7.849 454 HA TYR 60 HA TYR 60 4.418 0.755 8.835 455 HD1 TYR 60 HD2 TYR 60 3.080 -0.889 9.633 456 HD2 TYR 60 HD1 TYR 60 6.714 -2.918 10.531 457 HE1 TYR 60 HE2 TYR 60 1.898 -2.266 11.296 458 HE2 TYR 60 HE1 TYR 60 5.544 -4.289 12.196 459 HH TYR 60 HH TYR 60 2.253 -4.593 12.356 460 HB2 TYR 60 HB2 TYR 60 5.420 -1.285 7.965 461 HB3 TYR 60 HB1 TYR 60 6.779 -1.131 9.071 462 H ASP 61 HN ASP 61 4.275 2.392 10.304 463 HA ASP 61 HA ASP 61 6.318 2.612 12.375 464 HB2 ASP 61 HB2 ASP 61 5.568 4.621 11.080 465 HB3 ASP 61 HB1 ASP 61 3.982 4.448 11.823 466 HA PRO 62 HA PRO 62 3.781 0.182 15.077 467 HB2 PRO 62 HB2 PRO 62 5.511 1.285 17.201 468 HB3 PRO 62 HB1 PRO 62 5.230 -0.394 16.734 469 HG2 PRO 62 HG2 PRO 62 7.537 0.835 16.175 470 HG3 PRO 62 HG1 PRO 62 6.811 -0.332 15.053 471 HD2 PRO 62 HD2 PRO 62 6.817 2.659 14.937 472 HD3 PRO 62 HD1 PRO 62 7.022 1.479 13.627 473 H SER 63 HN SER 63 4.219 3.602 15.363 474 HA SER 63 HA SER 63 2.490 3.876 17.659 475 HG SER 63 HG SER 63 1.840 6.515 17.500 476 HB2 SER 63 HB2 SER 63 4.426 5.430 17.083 477 HB3 SER 63 HB1 SER 63 3.400 6.081 15.805 478 H LEU 64 HN LEU 64 2.017 3.310 14.410 479 HA LEU 64 HA LEU 64 -0.459 4.803 14.140 480 HG LEU 64 HG LEU 64 2.009 5.078 12.465 481 HB2 LEU 64 HB2 LEU 64 0.935 2.823 12.339 482 HB3 LEU 64 HB1 LEU 64 -0.577 3.614 11.935 483 HD11 LEU 64 HD11 LEU 64 2.021 5.426 10.022 484 HD12 LEU 64 HD12 LEU 64 0.685 4.286 9.878 485 HD13 LEU 64 HD13 LEU 64 2.251 3.741 10.482 486 HD21 LEU 64 HD21 LEU 64 0.845 6.977 11.466 487 HD22 LEU 64 HD22 LEU 64 -0.004 6.400 12.902 488 HD23 LEU 64 HD23 LEU 64 -0.615 6.003 11.295 489 H SER 65 HN SER 65 -1.988 2.969 12.701 490 HA SER 65 HA SER 65 -2.472 0.676 14.403 491 HG SER 65 HG SER 65 -4.909 0.717 15.810 492 HB2 SER 65 HB2 SER 65 -3.638 2.437 15.637 493 HB3 SER 65 HB1 SER 65 -4.475 2.947 14.173 494 H TYR 66 HN TYR 66 -4.380 -0.590 13.553 495 HA TYR 66 HA TYR 66 -4.238 -0.970 10.764 496 HD1 TYR 66 HD2 TYR 66 -4.756 -3.606 9.908 497 HD2 TYR 66 HD1 TYR 66 -8.341 -2.025 11.569 498 HE1 TYR 66 HE2 TYR 66 -6.058 -4.711 8.136 499 HE2 TYR 66 HE1 TYR 66 -9.651 -3.127 9.805 500 HH TYR 66 HH TYR 66 -8.394 -5.536 7.808 501 HB2 TYR 66 HB2 TYR 66 -4.903 -2.756 12.285 502 HB3 TYR 66 HB1 TYR 66 -6.327 -1.850 12.773 503 H ASN 67 HN ASN 67 -6.119 1.145 12.737 504 HA ASN 67 HA ASN 67 -8.008 1.705 10.571 505 HB2 ASN 67 HB2 ASN 67 -7.954 2.679 13.433 506 HB3 ASN 67 HB1 ASN 67 -9.219 3.039 12.265 507 HD21 ASN 67 HD21 ASN 67 -9.303 1.679 14.851 508 HD22 ASN 67 HD22 ASN 67 -10.030 0.136 14.542 509 H GLN 68 HN GLN 68 -5.030 2.801 11.537 510 HA GLN 68 HA GLN 68 -5.574 5.513 10.544 511 HB2 GLN 68 HB2 GLN 68 -3.887 4.894 12.979 512 HB3 GLN 68 HB1 GLN 68 -4.192 6.490 12.303 513 HG2 GLN 68 HG2 GLN 68 -6.568 6.247 12.818 514 HG3 GLN 68 HG1 GLN 68 -6.252 4.654 13.503 515 HE21 GLN 68 HE21 GLN 68 -7.406 6.979 14.765 516 HE22 GLN 68 HE22 GLN 68 -6.398 7.352 16.122 517 H THR 69 HN THR 69 -4.340 5.865 8.838 518 HA THR 69 HA THR 69 -1.704 4.570 8.741 519 HB THR 69 HB THR 69 -3.080 3.536 7.096 520 HG1 THR 69 HG1 THR 69 -0.881 4.799 6.458 521 HG21 THR 69 HG21 THR 69 -4.873 5.129 6.874 522 HG22 THR 69 HG22 THR 69 -4.195 4.806 5.275 523 HG23 THR 69 HG23 THR 69 -3.795 6.301 6.119 524 H ASN 70 HN ASN 70 -1.986 6.515 6.080 525 HA ASN 70 HA ASN 70 -0.368 8.591 7.363 526 HB2 ASN 70 HB2 ASN 70 0.639 7.396 5.477 527 HB3 ASN 70 HB1 ASN 70 -0.718 7.841 4.448 528 HD21 ASN 70 HD21 ASN 70 -0.879 9.957 3.695 529 HD22 ASN 70 HD22 ASN 70 0.449 11.059 3.764 530 HA PRO 71 HA PRO 71 -3.789 11.362 7.063 531 HB2 PRO 71 HB2 PRO 71 -1.881 13.568 7.267 532 HB3 PRO 71 HB1 PRO 71 -3.096 13.038 8.431 533 HG2 PRO 71 HG2 PRO 71 -0.435 12.732 8.844 534 HG3 PRO 71 HG1 PRO 71 -1.643 11.607 9.491 535 HD2 PRO 71 HD2 PRO 71 0.134 11.313 7.095 536 HD3 PRO 71 HD1 PRO 71 -0.342 10.101 8.303 537 H THR 72 HN THR 72 -4.624 11.484 5.125 538 HA THR 72 HA THR 72 -4.189 13.363 3.163 539 HB THR 72 HB THR 72 -2.634 10.801 2.645 540 HG1 THR 72 HG1 THR 72 -1.733 12.998 3.446 541 HG21 THR 72 HG21 THR 72 -4.088 11.159 0.718 542 HG22 THR 72 HG22 THR 72 -2.404 11.476 0.303 543 HG23 THR 72 HG23 THR 72 -3.512 12.820 0.580 544 H GLY 73 HN GLY 73 -5.854 13.137 1.606 545 HA2 GLY 73 HA2 GLY 73 -7.913 11.242 2.075 546 HA3 GLY 73 HA1 GLY 73 -7.780 12.286 0.667 547 H CYS 74 HN CYS 74 -6.414 9.348 2.081 548 HA CYS 74 HA CYS 74 -5.428 8.402 -0.455 549 HG CYS 74 HG CYS 74 -4.084 9.009 3.084 550 HB2 CYS 74 HB2 CYS 74 -5.560 6.986 2.217 551 HB3 CYS 74 HB1 CYS 74 -4.573 6.525 0.835 552 H LEU 75 HN LEU 75 -5.940 5.605 0.178 553 HA LEU 75 HA LEU 75 -7.321 3.942 -0.424 554 HG LEU 75 HG LEU 75 -9.728 4.062 2.349 555 HB2 LEU 75 HB2 LEU 75 -9.399 5.856 0.609 556 HB3 LEU 75 HB1 LEU 75 -9.806 4.262 0.007 557 HD11 LEU 75 HD11 LEU 75 -7.860 2.535 2.759 558 HD12 LEU 75 HD12 LEU 75 -7.103 3.070 1.259 559 HD13 LEU 75 HD13 LEU 75 -8.648 2.223 1.213 560 HD21 LEU 75 HD21 LEU 75 -7.843 4.778 3.729 561 HD22 LEU 75 HD22 LEU 75 -8.576 6.136 2.875 562 HD23 LEU 75 HD23 LEU 75 -7.053 5.452 2.304 563 H TYR 76 HN TYR 76 -6.967 3.766 -2.557 564 HA TYR 76 HA TYR 76 -8.308 5.567 -4.407 565 HD1 TYR 76 HD1 TYR 76 -8.244 6.296 -6.119 566 HD2 TYR 76 HD2 TYR 76 -5.609 3.187 -7.333 567 HE1 TYR 76 HE1 TYR 76 -8.509 6.998 -8.456 568 HE2 TYR 76 HE2 TYR 76 -5.867 3.879 -9.683 569 HH TYR 76 HH TYR 76 -7.367 5.107 -11.105 570 HB2 TYR 76 HB2 TYR 76 -5.901 4.833 -4.714 571 HB3 TYR 76 HB1 TYR 76 -6.517 3.227 -5.091 572 H ASN 77 HN ASN 77 -10.447 4.967 -4.108 573 HA ASN 77 HA ASN 77 -11.122 2.470 -5.490 574 HB2 ASN 77 HB2 ASN 77 -13.053 2.137 -4.025 575 HB3 ASN 77 HB1 ASN 77 -11.565 2.144 -3.090 576 HD21 ASN 77 HD21 ASN 77 -11.115 3.941 -1.759 577 HD22 ASN 77 HD22 ASN 77 -12.374 4.997 -1.230 578 HA PRO 78 HA PRO 78 -13.053 5.413 -8.144 579 HB2 PRO 78 HB2 PRO 78 -14.364 3.626 -9.732 580 HB3 PRO 78 HB1 PRO 78 -12.637 3.967 -9.871 581 HG2 PRO 78 HG2 PRO 78 -14.015 1.693 -8.500 582 HG3 PRO 78 HG1 PRO 78 -12.556 1.675 -9.509 583 HD2 PRO 78 HD2 PRO 78 -12.454 1.593 -6.807 584 HD3 PRO 78 HD1 PRO 78 -11.205 2.393 -7.783 585 H LYS 79 HN LYS 79 -14.825 6.566 -7.892 586 HA LYS 79 HA LYS 79 -17.155 5.383 -6.567 587 HB2 LYS 79 HB2 LYS 79 -16.603 8.263 -7.328 588 HB3 LYS 79 HB1 LYS 79 -17.935 7.693 -6.333 589 HG2 LYS 79 HG2 LYS 79 -15.028 7.415 -5.607 590 HG3 LYS 79 HG1 LYS 79 -16.088 8.708 -5.045 591 HD2 LYS 79 HD2 LYS 79 -17.521 7.093 -3.939 592 HD3 LYS 79 HD1 LYS 79 -16.545 5.763 -4.569 593 HE2 LYS 79 HE2 LYS 79 -15.992 6.248 -2.240 594 HE3 LYS 79 HE1 LYS 79 -14.622 6.565 -3.302 595 HZ1 LYS 79 HZ1 LYS 79 -15.126 8.917 -3.218 596 HZ2 LYS 79 HZ2 LYS 79 -14.919 8.309 -1.647 597 HZ3 LYS 79 HZ3 LYS 79 -16.477 8.626 -2.233 598 H LEU 80 HN LEU 80 -16.050 5.523 -9.563 599 HA LEU 80 HA LEU 80 -18.468 6.438 -10.906 600 HG LEU 80 HG LEU 80 -15.419 7.450 -10.747 601 HB2 LEU 80 HB2 LEU 80 -15.895 5.439 -12.123 602 HB3 LEU 80 HB1 LEU 80 -17.173 6.323 -12.932 603 HD11 LEU 80 HD11 LEU 80 -14.374 8.742 -12.538 604 HD12 LEU 80 HD12 LEU 80 -15.348 7.880 -13.729 605 HD13 LEU 80 HD13 LEU 80 -14.148 7.008 -12.773 606 HD21 LEU 80 HD21 LEU 80 -16.392 9.594 -11.384 607 HD22 LEU 80 HD22 LEU 80 -17.642 8.473 -10.847 608 HD23 LEU 80 HD23 LEU 80 -17.419 8.788 -12.568 609 H GLU 81 HN GLU 81 -19.823 5.120 -12.010 610 HA GLU 81 HA GLU 81 -19.159 2.261 -12.142 611 HB2 GLU 81 HB2 GLU 81 -21.833 3.480 -11.433 612 HB3 GLU 81 HB1 GLU 81 -21.565 1.771 -11.745 613 HG2 GLU 81 HG2 GLU 81 -20.045 1.664 -9.835 614 HG3 GLU 81 HG1 GLU 81 -20.337 3.376 -9.517 615 H HIS 82 HN HIS 82 -20.467 1.094 -13.800 616 HA HIS 82 HA HIS 82 -21.551 2.837 -15.886 617 HD1 HIS 82 HD1 HIS 82 -19.822 -0.535 -18.523 618 HD2 HIS 82 HD2 HIS 82 -18.453 0.053 -14.639 619 HE1 HIS 82 HE1 HIS 82 -18.633 -2.658 -17.894 620 HE2 HIS 82 HE2 HIS 82 -17.643 -2.195 -15.621 621 HB2 HIS 82 HB2 HIS 82 -20.372 1.724 -17.680 622 HB3 HIS 82 HB1 HIS 82 -19.195 2.325 -16.524 623 H HIS 83 HN HIS 83 -23.271 2.002 -16.982 624 HA HIS 83 HA HIS 83 -24.602 -0.257 -15.816 625 HD1 HIS 83 HD1 HIS 83 -28.020 1.881 -16.580 626 HD2 HIS 83 HD2 HIS 83 -26.577 -1.916 -17.478 627 HE1 HIS 83 HE1 HIS 83 -29.973 0.323 -16.285 628 HE2 HIS 83 HE2 HIS 83 -29.027 -1.984 -16.645 629 HB2 HIS 83 HB2 HIS 83 -25.589 1.891 -16.972 630 HB3 HIS 83 HB1 HIS 83 -25.392 0.956 -18.449 631 H HIS 84 HN HIS 84 -23.600 0.416 -19.150 632 HA HIS 84 HA HIS 84 -22.260 -2.174 -19.269 633 HD1 HIS 84 HD1 HIS 84 -23.317 -4.680 -20.079 634 HD2 HIS 84 HD2 HIS 84 -26.590 -2.111 -20.077 635 HE1 HIS 84 HE1 HIS 84 -25.244 -6.029 -19.182 636 HE2 HIS 84 HE2 HIS 84 -27.180 -4.422 -19.073 637 HB2 HIS 84 HB2 HIS 84 -24.316 -1.229 -21.282 638 HB3 HIS 84 HB1 HIS 84 -23.133 -2.482 -21.635 639 H HIS 85 HN HIS 85 -23.144 0.430 -21.488 640 HA HIS 85 HA HIS 85 -20.457 1.463 -21.608 641 HD1 HIS 85 HD1 HIS 85 -18.073 0.976 -23.556 642 HD2 HIS 85 HD2 HIS 85 -21.337 2.063 -25.903 643 HE1 HIS 85 HE1 HIS 85 -17.143 2.417 -25.400 644 HE2 HIS 85 HE2 HIS 85 -19.104 2.888 -26.913 645 HB2 HIS 85 HB2 HIS 85 -20.244 -0.420 -23.149 646 HB3 HIS 85 HB1 HIS 85 -21.698 0.077 -24.003 647 H HIS 86 HN HIS 86 -20.816 3.583 -21.543 648 HA HIS 86 HA HIS 86 -23.343 4.743 -22.167 649 HD1 HIS 86 HD1 HIS 86 -22.993 7.390 -19.476 650 HD2 HIS 86 HD2 HIS 86 -22.530 7.991 -23.564 651 HE1 HIS 86 HE1 HIS 86 -24.163 9.558 -19.984 652 HE2 HIS 86 HE2 HIS 86 -23.787 9.957 -22.443 653 HB2 HIS 86 HB2 HIS 86 -21.653 5.623 -20.492 654 HB3 HIS 86 HB1 HIS 86 -20.706 6.194 -21.857 655 H HIS 87 HN HIS 87 -20.205 5.650 -23.534 656 HA HIS 87 HA HIS 87 -20.700 4.961 -26.183 657 HD1 HIS 87 HD1 HIS 87 -23.605 7.255 -27.931 658 HD2 HIS 87 HD2 HIS 87 -19.518 6.675 -28.478 659 HE1 HIS 87 HE1 HIS 87 -23.255 7.142 -30.418 660 HE2 HIS 87 HE2 HIS 87 -20.770 6.887 -30.733 661 HB2 HIS 87 HB2 HIS 87 -22.414 6.912 -25.775 662 HB3 HIS 87 HB1 HIS 87 -20.992 7.942 -25.890 Start of MODEL 19 1 HA MET 1 HA MET 1 -11.888 -20.091 0.868 2 H1 MET 1 HT1 MET 1 -11.206 -17.986 -1.097 3 H2 MET 1 HT2 MET 1 -12.772 -18.412 -0.602 4 H3 MET 1 HT3 MET 1 -11.818 -19.532 -1.439 5 HB2 MET 1 HB2 MET 1 -9.227 -18.969 -0.028 6 HB3 MET 1 HB1 MET 1 -9.434 -20.002 1.378 7 HG2 MET 1 HG2 MET 1 -8.664 -21.371 -0.381 8 HG3 MET 1 HG1 MET 1 -10.370 -21.746 -0.152 9 HE1 MET 1 HE1 MET 1 -9.923 -22.246 -4.001 10 HE2 MET 1 HE2 MET 1 -10.469 -22.970 -2.488 11 HE3 MET 1 HE3 MET 1 -8.756 -22.634 -2.738 12 H ALA 2 HN ALA 2 -9.677 -17.308 0.890 13 HA ALA 2 HA ALA 2 -11.098 -16.363 3.294 14 HB1 ALA 2 HB1 ALA 2 -8.964 -15.496 4.093 15 HB2 ALA 2 HB2 ALA 2 -8.166 -16.088 2.636 16 HB3 ALA 2 HB3 ALA 2 -8.861 -17.230 3.787 17 H ASP 3 HN ASP 3 -10.854 -13.999 3.696 18 HA ASP 3 HA ASP 3 -11.151 -12.522 1.196 19 HB2 ASP 3 HB2 ASP 3 -12.799 -12.123 2.994 20 HB3 ASP 3 HB1 ASP 3 -11.502 -11.590 4.059 21 H TYR 4 HN TYR 4 -9.152 -12.268 0.359 22 HA TYR 4 HA TYR 4 -7.042 -11.214 2.081 23 HD1 TYR 4 HD1 TYR 4 -8.410 -13.990 -0.456 24 HD2 TYR 4 HD2 TYR 4 -5.689 -11.185 -2.139 25 HE1 TYR 4 HE1 TYR 4 -9.202 -14.580 -2.707 26 HE2 TYR 4 HE2 TYR 4 -6.480 -11.762 -4.392 27 HH TYR 4 HH TYR 4 -9.295 -13.486 -4.970 28 HB2 TYR 4 HB2 TYR 4 -5.539 -11.705 0.139 29 HB3 TYR 4 HB1 TYR 4 -6.349 -13.119 0.794 30 H ASN 5 HN ASN 5 -9.069 -9.457 1.630 31 HA ASN 5 HA ASN 5 -8.506 -7.680 -0.537 32 HB2 ASN 5 HB2 ASN 5 -10.724 -7.810 0.595 33 HB3 ASN 5 HB1 ASN 5 -9.996 -7.118 2.039 34 HD21 ASN 5 HD21 ASN 5 -9.361 -6.206 -1.311 35 HD22 ASN 5 HD22 ASN 5 -9.990 -4.605 -1.175 36 H ILE 6 HN ILE 6 -6.221 -7.482 -0.282 37 HA ILE 6 HA ILE 6 -5.051 -6.372 2.052 38 HB ILE 6 HB ILE 6 -3.042 -6.020 0.601 39 HG12 ILE 6 HG12 ILE 6 -4.776 -7.322 -1.516 40 HG13 ILE 6 HG11 ILE 6 -4.250 -5.642 -1.528 41 HG21 ILE 6 HG21 ILE 6 -2.592 -8.416 0.300 42 HG22 ILE 6 HG22 ILE 6 -4.305 -8.757 0.544 43 HG23 ILE 6 HG23 ILE 6 -3.347 -8.072 1.856 44 HD11 ILE 6 HD11 ILE 6 -2.452 -8.050 -1.681 45 HD12 ILE 6 HD12 ILE 6 -1.932 -6.366 -1.712 46 HD13 ILE 6 HD13 ILE 6 -2.914 -7.009 -3.028 47 HA PRO 7 HA PRO 7 -6.033 -2.117 1.602 48 HB2 PRO 7 HB2 PRO 7 -3.834 -1.076 2.890 49 HB3 PRO 7 HB1 PRO 7 -5.259 -1.721 3.709 50 HG2 PRO 7 HG2 PRO 7 -2.622 -3.021 3.185 51 HG3 PRO 7 HG1 PRO 7 -3.644 -3.098 4.632 52 HD2 PRO 7 HD2 PRO 7 -3.556 -5.109 2.849 53 HD3 PRO 7 HD1 PRO 7 -5.050 -4.685 3.710 54 H HIS 8 HN HIS 8 -5.865 -1.076 -0.233 55 HA HIS 8 HA HIS 8 -3.201 -0.440 -1.271 56 HD1 HIS 8 HD1 HIS 8 -5.979 -3.443 -1.895 57 HD2 HIS 8 HD2 HIS 8 -6.876 -0.150 -4.267 58 HE1 HIS 8 HE1 HIS 8 -8.382 -3.728 -2.567 59 HE2 HIS 8 HE2 HIS 8 -8.964 -1.601 -3.778 60 HB2 HIS 8 HB2 HIS 8 -4.225 -0.587 -3.609 61 HB3 HIS 8 HB1 HIS 8 -3.891 -2.110 -2.797 62 H PHE 9 HN PHE 9 -2.902 1.657 -1.580 63 HA PHE 9 HA PHE 9 -5.260 3.376 -1.227 64 HD1 PHE 9 HD2 PHE 9 -5.738 3.460 1.178 65 HD2 PHE 9 HD1 PHE 9 -1.560 2.662 1.230 66 HE1 PHE 9 HE2 PHE 9 -6.019 2.154 3.242 67 HE2 PHE 9 HE1 PHE 9 -1.833 1.349 3.293 68 HZ PHE 9 HZ PHE 9 -4.065 1.095 4.302 69 HB2 PHE 9 HB2 PHE 9 -2.409 3.993 -0.430 70 HB3 PHE 9 HB1 PHE 9 -3.846 4.933 -0.038 71 H GLN 10 HN GLN 10 -4.444 5.791 -1.870 72 HA GLN 10 HA GLN 10 -3.585 5.544 -4.674 73 HB2 GLN 10 HB2 GLN 10 -5.124 7.475 -5.135 74 HB3 GLN 10 HB1 GLN 10 -5.935 5.980 -4.688 75 HG2 GLN 10 HG2 GLN 10 -6.444 6.783 -2.529 76 HG3 GLN 10 HG1 GLN 10 -5.338 8.146 -2.694 77 HE21 GLN 10 HE21 GLN 10 -5.989 9.963 -3.780 78 HE22 GLN 10 HE22 GLN 10 -7.620 10.219 -4.298 79 H ASN 11 HN ASN 11 -2.607 7.433 -5.606 80 HA ASN 11 HA ASN 11 -1.466 9.306 -3.640 81 HB2 ASN 11 HB2 ASN 11 -0.215 8.018 -6.049 82 HB3 ASN 11 HB1 ASN 11 0.350 9.591 -5.499 83 HD21 ASN 11 HD21 ASN 11 0.178 6.201 -4.796 84 HD22 ASN 11 HD22 ASN 11 1.304 6.213 -3.487 85 H ASP 12 HN ASP 12 -2.776 11.019 -3.823 86 HA ASP 12 HA ASP 12 -4.086 11.836 -6.175 87 HB2 ASP 12 HB2 ASP 12 -3.417 13.407 -3.675 88 HB3 ASP 12 HB1 ASP 12 -4.527 13.947 -4.930 89 H LEU 13 HN LEU 13 -1.469 13.524 -4.464 90 HA LEU 13 HA LEU 13 -0.602 14.649 -7.032 91 HG LEU 13 HG LEU 13 0.574 14.722 -3.524 92 HB2 LEU 13 HB2 LEU 13 0.658 16.285 -5.657 93 HB3 LEU 13 HB1 LEU 13 -1.076 16.350 -5.412 94 HD11 LEU 13 HD11 LEU 13 0.271 17.722 -3.398 95 HD12 LEU 13 HD12 LEU 13 1.773 16.844 -3.686 96 HD13 LEU 13 HD13 LEU 13 0.951 16.696 -2.133 97 HD21 LEU 13 HD21 LEU 13 -1.154 15.460 -1.949 98 HD22 LEU 13 HD22 LEU 13 -1.853 14.659 -3.357 99 HD23 LEU 13 HD23 LEU 13 -1.905 16.418 -3.227 100 H GLY 14 HN GLY 14 0.074 12.092 -5.153 101 HA2 GLY 14 HA2 GLY 14 1.889 10.636 -5.237 102 HA3 GLY 14 HA1 GLY 14 2.791 11.857 -6.126 103 H TYR 15 HN TYR 15 2.315 10.363 -3.129 104 HA TYR 15 HA TYR 15 3.516 12.574 -1.629 105 HD1 TYR 15 HD2 TYR 15 1.317 13.359 0.254 106 HD2 TYR 15 HD1 TYR 15 0.410 9.767 -1.841 107 HE1 TYR 15 HE2 TYR 15 -0.987 14.145 -0.093 108 HE2 TYR 15 HE1 TYR 15 -1.891 10.548 -2.197 109 HH TYR 15 HH TYR 15 -3.477 12.104 -1.281 110 HB2 TYR 15 HB2 TYR 15 2.444 9.956 -0.558 111 HB3 TYR 15 HB1 TYR 15 2.810 11.415 0.360 112 H LYS 16 HN LYS 16 5.536 12.473 -0.785 113 HA LYS 16 HA LYS 16 7.216 10.419 -1.933 114 HB2 LYS 16 HB2 LYS 16 7.749 13.065 -0.637 115 HB3 LYS 16 HB1 LYS 16 9.052 11.896 -0.789 116 HG2 LYS 16 HG2 LYS 16 9.128 13.418 -2.646 117 HG3 LYS 16 HG1 LYS 16 8.664 11.819 -3.225 118 HD2 LYS 16 HD2 LYS 16 6.261 12.615 -3.069 119 HD3 LYS 16 HD1 LYS 16 6.914 14.238 -2.834 120 HE2 LYS 16 HE2 LYS 16 7.415 12.449 -5.211 121 HE3 LYS 16 HE1 LYS 16 6.332 13.838 -5.174 122 HZ1 LYS 16 HZ1 LYS 16 8.220 15.274 -4.772 123 HZ2 LYS 16 HZ2 LYS 16 8.474 14.367 -6.182 124 HZ3 LYS 16 HZ3 LYS 16 9.273 13.946 -4.750 125 H ILE 17 HN ILE 17 5.863 11.171 1.136 126 HA ILE 17 HA ILE 17 7.142 8.717 2.128 127 HB ILE 17 HB ILE 17 6.712 11.230 3.764 128 HG12 ILE 17 HG12 ILE 17 9.241 9.740 3.015 129 HG13 ILE 17 HG11 ILE 17 8.733 11.297 2.371 130 HG21 ILE 17 HG21 ILE 17 6.141 9.253 5.063 131 HG22 ILE 17 HG22 ILE 17 7.650 9.959 5.643 132 HG23 ILE 17 HG23 ILE 17 7.682 8.509 4.639 133 HD11 ILE 17 HD11 ILE 17 9.454 10.719 5.234 134 HD12 ILE 17 HD12 ILE 17 8.939 12.280 4.594 135 HD13 ILE 17 HD13 ILE 17 10.456 11.562 4.052 136 H ILE 18 HN ILE 18 5.500 7.302 2.163 137 HA ILE 18 HA ILE 18 2.973 8.279 3.381 138 HB ILE 18 HB ILE 18 3.390 6.061 1.381 139 HG12 ILE 18 HG12 ILE 18 1.774 8.615 1.437 140 HG13 ILE 18 HG11 ILE 18 3.136 8.235 0.388 141 HG21 ILE 18 HG21 ILE 18 1.900 5.203 3.108 142 HG22 ILE 18 HG22 ILE 18 1.003 5.526 1.624 143 HG23 ILE 18 HG23 ILE 18 0.896 6.647 2.981 144 HD11 ILE 18 HD11 ILE 18 1.033 8.122 -0.816 145 HD12 ILE 18 HD12 ILE 18 0.430 6.915 0.321 146 HD13 ILE 18 HD13 ILE 18 1.791 6.532 -0.733 147 H GLU 19 HN GLU 19 2.639 7.710 5.349 148 HA GLU 19 HA GLU 19 4.023 5.438 6.527 149 HB2 GLU 19 HB2 GLU 19 2.198 7.458 7.840 150 HB3 GLU 19 HB1 GLU 19 3.326 6.370 8.641 151 HG2 GLU 19 HG2 GLU 19 5.201 7.546 7.771 152 HG3 GLU 19 HG1 GLU 19 4.176 8.511 6.710 153 H ILE 20 HN ILE 20 2.984 3.633 7.324 154 HA ILE 20 HA ILE 20 0.065 3.508 7.204 155 HB ILE 20 HB ILE 20 0.203 1.271 6.033 156 HG12 ILE 20 HG12 ILE 20 2.964 2.271 5.298 157 HG13 ILE 20 HG11 ILE 20 2.612 0.888 6.330 158 HG21 ILE 20 HG21 ILE 20 -0.643 3.234 4.894 159 HG22 ILE 20 HG22 ILE 20 0.295 2.239 3.780 160 HG23 ILE 20 HG23 ILE 20 0.997 3.711 4.451 161 HD11 ILE 20 HD11 ILE 20 1.913 1.131 3.412 162 HD12 ILE 20 HD12 ILE 20 1.578 -0.259 4.446 163 HD13 ILE 20 HD13 ILE 20 3.245 0.195 4.089 164 H GLY 21 HN GLY 21 -0.780 1.602 8.312 165 HA2 GLY 21 HA2 GLY 21 1.072 0.633 10.374 166 HA3 GLY 21 HA1 GLY 21 -0.684 0.568 10.453 167 H VAL 22 HN VAL 22 0.907 -0.341 7.530 168 HA VAL 22 HA VAL 22 0.285 -3.169 8.094 169 HB VAL 22 HB VAL 22 0.234 -1.895 5.355 170 HG11 VAL 22 HG11 VAL 22 0.540 -4.295 5.358 171 HG12 VAL 22 HG12 VAL 22 -1.069 -3.891 4.763 172 HG13 VAL 22 HG13 VAL 22 -0.861 -4.498 6.407 173 HG21 VAL 22 HG21 VAL 22 -1.469 -0.802 6.695 174 HG22 VAL 22 HG22 VAL 22 -2.089 -2.367 7.220 175 HG23 VAL 22 HG23 VAL 22 -2.219 -1.890 5.527 176 H LYS 23 HN LYS 23 1.801 -4.700 7.472 177 HA LYS 23 HA LYS 23 4.474 -3.599 7.036 178 HB2 LYS 23 HB2 LYS 23 3.976 -5.136 8.953 179 HB3 LYS 23 HB1 LYS 23 3.674 -6.413 7.787 180 HG2 LYS 23 HG2 LYS 23 5.940 -6.444 7.095 181 HG3 LYS 23 HG1 LYS 23 6.293 -4.950 7.969 182 HD2 LYS 23 HD2 LYS 23 5.494 -7.578 9.227 183 HD3 LYS 23 HD1 LYS 23 7.134 -6.926 9.164 184 HE2 LYS 23 HE2 LYS 23 6.424 -4.991 10.475 185 HE3 LYS 23 HE1 LYS 23 4.775 -5.613 10.514 186 HZ1 LYS 23 HZ1 LYS 23 5.614 -7.566 11.716 187 HZ2 LYS 23 HZ2 LYS 23 5.884 -6.123 12.563 188 HZ3 LYS 23 HZ3 LYS 23 7.167 -6.875 11.746 189 H GLU 24 HN GLU 24 2.026 -5.333 5.396 190 HA GLU 24 HA GLU 24 3.885 -5.913 3.184 191 HB2 GLU 24 HB2 GLU 24 1.248 -7.256 3.818 192 HB3 GLU 24 HB1 GLU 24 2.293 -7.642 2.459 193 HG2 GLU 24 HG2 GLU 24 4.027 -8.402 3.971 194 HG3 GLU 24 HG1 GLU 24 3.035 -7.951 5.359 195 H PHE 25 HN PHE 25 3.690 -4.382 1.648 196 HA PHE 25 HA PHE 25 0.993 -3.556 0.863 197 HD1 PHE 25 HD2 PHE 25 -0.475 -1.415 1.357 198 HD2 PHE 25 HD1 PHE 25 3.223 -0.008 -0.210 199 HE1 PHE 25 HE2 PHE 25 -1.678 0.295 0.062 200 HE2 PHE 25 HE1 PHE 25 2.026 1.705 -1.508 201 HZ PHE 25 HZ PHE 25 -0.428 1.858 -1.374 202 HB2 PHE 25 HB2 PHE 25 1.802 -1.860 2.457 203 HB3 PHE 25 HB1 PHE 25 3.234 -1.611 1.466 204 H MET 26 HN MET 26 0.767 -3.011 -1.277 205 HA MET 26 HA MET 26 3.174 -3.243 -2.961 206 HB2 MET 26 HB2 MET 26 1.529 -5.156 -3.146 207 HB3 MET 26 HB1 MET 26 0.357 -4.002 -3.764 208 HG2 MET 26 HG2 MET 26 1.663 -3.588 -5.702 209 HG3 MET 26 HG1 MET 26 3.032 -4.480 -5.042 210 HE1 MET 26 HE1 MET 26 3.488 -6.155 -6.872 211 HE2 MET 26 HE2 MET 26 2.372 -5.239 -7.890 212 HE3 MET 26 HE3 MET 26 2.241 -6.996 -7.796 213 H CYS 27 HN CYS 27 3.583 -1.491 -4.236 214 HA CYS 27 HA CYS 27 1.862 0.775 -3.860 215 HB2 CYS 27 HB2 CYS 27 3.560 1.971 -5.303 216 HB3 CYS 27 HB1 CYS 27 4.159 1.298 -3.796 217 H VAL 28 HN VAL 28 -0.013 0.184 -4.827 218 HA VAL 28 HA VAL 28 -1.597 0.373 -6.413 219 HB VAL 28 HB VAL 28 0.604 1.387 -8.220 220 HG11 VAL 28 HG11 VAL 28 -1.225 2.308 -9.574 221 HG12 VAL 28 HG12 VAL 28 -2.399 1.519 -8.520 222 HG13 VAL 28 HG13 VAL 28 -1.299 0.547 -9.500 223 HG21 VAL 28 HG21 VAL 28 -0.286 3.602 -7.693 224 HG22 VAL 28 HG22 VAL 28 0.264 2.779 -6.233 225 HG23 VAL 28 HG23 VAL 28 -1.461 2.877 -6.595 226 H GLY 29 HN GLY 29 -2.115 -1.728 -6.549 227 HA2 GLY 29 HA2 GLY 29 -0.860 -3.287 -8.710 228 HA3 GLY 29 HA1 GLY 29 -1.763 -3.975 -7.362 229 H ALA 30 HN ALA 30 -2.132 -4.165 -10.334 230 HA ALA 30 HA ALA 30 -4.844 -3.032 -10.488 231 HB1 ALA 30 HB1 ALA 30 -4.556 -2.837 -12.894 232 HB2 ALA 30 HB2 ALA 30 -2.932 -3.513 -12.770 233 HB3 ALA 30 HB3 ALA 30 -3.293 -1.948 -12.044 234 H THR 31 HN THR 31 -5.860 -4.282 -12.621 235 HA THR 31 HA THR 31 -6.620 -6.778 -11.556 236 HB THR 31 HB THR 31 -7.044 -5.997 -14.430 237 HG1 THR 31 HG1 THR 31 -8.386 -4.980 -12.119 238 HG21 THR 31 HG21 THR 31 -8.759 -7.426 -12.393 239 HG22 THR 31 HG22 THR 31 -7.875 -8.184 -13.718 240 HG23 THR 31 HG23 THR 31 -9.216 -7.091 -14.062 241 H GLN 32 HN GLN 32 -4.419 -5.872 -14.170 242 HA GLN 32 HA GLN 32 -3.916 -8.659 -14.810 243 HB2 GLN 32 HB2 GLN 32 -2.698 -7.883 -16.699 244 HB3 GLN 32 HB1 GLN 32 -4.138 -6.889 -16.585 245 HG2 GLN 32 HG2 GLN 32 -1.399 -6.068 -15.645 246 HG3 GLN 32 HG1 GLN 32 -2.107 -5.636 -17.197 247 HE21 GLN 32 HE21 GLN 32 -1.175 -3.890 -15.136 248 HE22 GLN 32 HE22 GLN 32 -2.525 -2.930 -14.637 249 HA PRO 33 HA PRO 33 -0.269 -9.356 -12.473 250 HB2 PRO 33 HB2 PRO 33 1.201 -10.048 -14.956 251 HB3 PRO 33 HB1 PRO 33 0.921 -11.016 -13.505 252 HG2 PRO 33 HG2 PRO 33 -0.394 -11.533 -15.758 253 HG3 PRO 33 HG1 PRO 33 -1.203 -11.654 -14.185 254 HD2 PRO 33 HD2 PRO 33 -1.363 -9.483 -16.239 255 HD3 PRO 33 HD1 PRO 33 -2.651 -10.185 -15.238 256 H PHE 34 HN PHE 34 2.288 -9.059 -12.655 257 HA PHE 34 HA PHE 34 2.621 -6.233 -12.615 258 HD1 PHE 34 HD1 PHE 34 4.278 -4.997 -11.022 259 HD2 PHE 34 HD2 PHE 34 6.729 -7.876 -12.975 260 HE1 PHE 34 HE1 PHE 34 6.154 -3.406 -11.007 261 HE2 PHE 34 HE2 PHE 34 8.609 -6.289 -12.962 262 HZ PHE 34 HZ PHE 34 8.323 -4.051 -11.976 263 HB2 PHE 34 HB2 PHE 34 3.826 -7.571 -11.010 264 HB3 PHE 34 HB1 PHE 34 4.611 -8.487 -12.292 265 H ASP 35 HN ASP 35 2.410 -5.317 -14.575 266 HA ASP 35 HA ASP 35 4.727 -5.742 -16.326 267 HB2 ASP 35 HB2 ASP 35 2.325 -6.460 -17.210 268 HB3 ASP 35 HB1 ASP 35 2.191 -4.731 -17.531 269 H HIS 36 HN HIS 36 2.011 -3.400 -16.004 270 HA HIS 36 HA HIS 36 4.048 -1.415 -15.269 271 HD1 HIS 36 HD1 HIS 36 1.327 1.671 -16.737 272 HD2 HIS 36 HD2 HIS 36 5.373 0.713 -16.531 273 HE1 HIS 36 HE1 HIS 36 2.530 3.856 -16.407 274 HE2 HIS 36 HE2 HIS 36 4.946 3.222 -16.062 275 HB2 HIS 36 HB2 HIS 36 3.340 -1.167 -17.671 276 HB3 HIS 36 HB1 HIS 36 1.730 -0.759 -17.086 277 HA PRO 37 HA PRO 37 0.716 -0.518 -12.281 278 HB2 PRO 37 HB2 PRO 37 0.874 -2.637 -10.457 279 HB3 PRO 37 HB1 PRO 37 -0.449 -2.365 -11.591 280 HG2 PRO 37 HG2 PRO 37 1.385 -4.518 -11.604 281 HG3 PRO 37 HG1 PRO 37 0.195 -4.125 -12.855 282 HD2 PRO 37 HD2 PRO 37 3.108 -3.518 -12.751 283 HD3 PRO 37 HD1 PRO 37 2.066 -3.831 -14.155 284 H HIS 38 HN HIS 38 2.340 -2.522 -10.047 285 HA HIS 38 HA HIS 38 4.983 -1.810 -10.543 286 HD2 HIS 38 HD2 HIS 38 6.146 0.146 -11.390 287 HE1 HIS 38 HE1 HIS 38 8.929 0.843 -8.277 288 HE2 HIS 38 HE2 HIS 38 8.598 0.657 -10.767 289 HB2 HIS 38 HB2 HIS 38 3.838 0.318 -9.315 290 HB3 HIS 38 HB1 HIS 38 4.412 -0.598 -7.916 291 H ILE 39 HN ILE 39 5.990 -2.043 -7.887 292 HA ILE 39 HA ILE 39 5.685 -4.943 -7.840 293 HB ILE 39 HB ILE 39 7.901 -3.962 -8.323 294 HG12 ILE 39 HG12 ILE 39 7.838 -5.465 -5.699 295 HG13 ILE 39 HG11 ILE 39 7.679 -6.207 -7.290 296 HG21 ILE 39 HG21 ILE 39 7.755 -2.940 -5.491 297 HG22 ILE 39 HG22 ILE 39 7.758 -1.964 -6.959 298 HG23 ILE 39 HG23 ILE 39 9.186 -2.903 -6.522 299 HD11 ILE 39 HD11 ILE 39 9.903 -5.475 -7.880 300 HD12 ILE 39 HD12 ILE 39 9.938 -6.414 -6.388 301 HD13 ILE 39 HD13 ILE 39 10.068 -4.654 -6.331 302 H PHE 40 HN PHE 40 5.554 -6.117 -5.909 303 HA PHE 40 HA PHE 40 4.229 -4.775 -3.723 304 HD1 PHE 40 HD1 PHE 40 4.540 -7.893 -6.322 305 HD2 PHE 40 HD2 PHE 40 5.832 -8.542 -2.318 306 HE1 PHE 40 HE1 PHE 40 5.887 -9.810 -7.072 307 HE2 PHE 40 HE2 PHE 40 7.184 -10.457 -3.062 308 HZ PHE 40 HZ PHE 40 7.212 -11.095 -5.440 309 HB2 PHE 40 HB2 PHE 40 4.028 -7.072 -2.770 310 HB3 PHE 40 HB1 PHE 40 3.343 -6.924 -4.381 311 H ILE 41 HN ILE 41 5.030 -4.487 -1.674 312 HA ILE 41 HA ILE 41 7.909 -5.018 -1.372 313 HB ILE 41 HB ILE 41 6.414 -2.565 -0.440 314 HG12 ILE 41 HG12 ILE 41 8.525 -2.876 -2.587 315 HG13 ILE 41 HG11 ILE 41 6.804 -2.652 -2.886 316 HG21 ILE 41 HG21 ILE 41 8.634 -1.732 0.211 317 HG22 ILE 41 HG22 ILE 41 9.337 -3.288 -0.226 318 HG23 ILE 41 HG23 ILE 41 8.187 -3.185 1.107 319 HD11 ILE 41 HD11 ILE 41 6.907 -0.467 -1.816 320 HD12 ILE 41 HD12 ILE 41 8.028 -0.583 -3.173 321 HD13 ILE 41 HD13 ILE 41 8.630 -0.695 -1.518 322 H ASP 42 HN ASP 42 8.166 -6.475 0.139 323 HA ASP 42 HA ASP 42 6.444 -6.506 2.492 324 HB2 ASP 42 HB2 ASP 42 6.917 -8.661 1.460 325 HB3 ASP 42 HB1 ASP 42 8.649 -8.372 1.582 326 H MET 43 HN MET 43 7.062 -5.639 4.390 327 HA MET 43 HA MET 43 9.556 -4.214 4.505 328 HB2 MET 43 HB2 MET 43 7.402 -4.631 6.578 329 HB3 MET 43 HB1 MET 43 8.823 -3.629 6.825 330 HG2 MET 43 HG2 MET 43 8.126 -2.219 4.936 331 HG3 MET 43 HG1 MET 43 6.669 -3.199 4.773 332 HE1 MET 43 HE1 MET 43 6.587 -0.041 5.112 333 HE2 MET 43 HE2 MET 43 5.281 0.133 6.285 334 HE3 MET 43 HE3 MET 43 5.141 -1.043 4.978 335 H GLY 44 HN GLY 44 8.234 -7.133 5.972 336 HA2 GLY 44 HA2 GLY 44 9.238 -8.833 7.145 337 HA3 GLY 44 HA1 GLY 44 10.756 -8.295 6.439 338 H SER 45 HN SER 45 12.242 -7.545 7.799 339 HA SER 45 HA SER 45 11.345 -6.679 10.460 340 HG SER 45 HG SER 45 12.453 -9.180 11.412 341 HB2 SER 45 HB2 SER 45 14.058 -7.765 9.665 342 HB3 SER 45 HB1 SER 45 13.530 -7.364 11.300 343 H THR 46 HN THR 46 10.932 -4.588 9.374 344 HA THR 46 HA THR 46 13.302 -2.895 9.606 345 HB THR 46 HB THR 46 12.428 -1.552 7.602 346 HG1 THR 46 HG1 THR 46 11.339 -4.021 6.752 347 HG21 THR 46 HG21 THR 46 13.612 -4.284 7.096 348 HG22 THR 46 HG22 THR 46 14.512 -2.828 7.518 349 HG23 THR 46 HG23 THR 46 13.655 -2.918 5.980 350 H ASP 47 HN ASP 47 12.699 -0.569 9.771 351 HA ASP 47 HA ASP 47 10.195 -0.266 11.266 352 HB2 ASP 47 HB2 ASP 47 12.452 1.723 10.914 353 HB3 ASP 47 HB1 ASP 47 11.110 1.851 12.044 354 H GLU 48 HN GLU 48 11.950 1.055 8.531 355 HA GLU 48 HA GLU 48 9.458 1.825 7.285 356 HB2 GLU 48 HB2 GLU 48 10.479 4.102 6.704 357 HB3 GLU 48 HB1 GLU 48 9.857 3.890 8.334 358 HG2 GLU 48 HG2 GLU 48 12.204 3.395 9.062 359 HG3 GLU 48 HG1 GLU 48 12.729 3.881 7.450 360 H LYS 49 HN LYS 49 9.542 1.693 5.092 361 HA LYS 49 HA LYS 49 12.138 1.175 3.837 362 HB2 LYS 49 HB2 LYS 49 11.177 -0.994 4.619 363 HB3 LYS 49 HB1 LYS 49 9.770 -0.696 3.611 364 HG2 LYS 49 HG2 LYS 49 11.070 -0.866 1.620 365 HG3 LYS 49 HG1 LYS 49 12.575 -0.913 2.544 366 HD2 LYS 49 HD2 LYS 49 11.892 -3.031 3.555 367 HD3 LYS 49 HD1 LYS 49 10.379 -2.981 2.649 368 HE2 LYS 49 HE2 LYS 49 11.575 -3.143 0.562 369 HE3 LYS 49 HE1 LYS 49 13.122 -3.044 1.403 370 HZ1 LYS 49 HZ1 LYS 49 12.494 -5.327 0.771 371 HZ2 LYS 49 HZ2 LYS 49 11.143 -5.228 1.792 372 HZ3 LYS 49 HZ3 LYS 49 12.705 -5.143 2.444 373 H ILE 50 HN ILE 50 12.243 1.939 1.768 374 HA ILE 50 HA ILE 50 9.796 3.247 0.791 375 HB ILE 50 HB ILE 50 11.724 4.735 1.396 376 HG12 ILE 50 HG12 ILE 50 10.936 4.753 -1.528 377 HG13 ILE 50 HG11 ILE 50 9.997 5.450 -0.212 378 HG21 ILE 50 HG21 ILE 50 13.042 3.434 -0.984 379 HG22 ILE 50 HG22 ILE 50 13.547 3.278 0.699 380 HG23 ILE 50 HG23 ILE 50 13.650 4.841 -0.111 381 HD11 ILE 50 HD11 ILE 50 12.736 6.341 -1.088 382 HD12 ILE 50 HD12 ILE 50 11.788 7.044 0.222 383 HD13 ILE 50 HD13 ILE 50 11.212 7.155 -1.441 384 H CYS 51 HN CYS 51 9.396 3.278 -1.471 385 HA CYS 51 HA CYS 51 10.483 1.010 -2.949 386 HB2 CYS 51 HB2 CYS 51 8.017 1.420 -2.908 387 HB3 CYS 51 HB1 CYS 51 8.286 2.967 -3.696 388 HA PRO 52 HA PRO 52 13.645 3.855 -4.498 389 HB2 PRO 52 HB2 PRO 52 13.806 1.619 -6.475 390 HB3 PRO 52 HB1 PRO 52 15.106 2.453 -5.614 391 HG2 PRO 52 HG2 PRO 52 14.316 0.030 -4.850 392 HG3 PRO 52 HG1 PRO 52 14.750 1.266 -3.654 393 HD2 PRO 52 HD2 PRO 52 12.064 0.251 -4.440 394 HD3 PRO 52 HD1 PRO 52 12.634 0.839 -2.866 395 H TYR 53 HN TYR 53 11.513 2.055 -6.683 396 HA TYR 53 HA TYR 53 11.280 4.418 -8.388 397 HD1 TYR 53 HD2 TYR 53 12.482 3.851 -10.681 398 HD2 TYR 53 HD1 TYR 53 11.903 0.085 -8.766 399 HE1 TYR 53 HE2 TYR 53 14.673 3.104 -11.501 400 HE2 TYR 53 HE1 TYR 53 14.101 -0.662 -9.582 401 HH TYR 53 HH TYR 53 16.386 1.492 -10.944 402 HB2 TYR 53 HB2 TYR 53 10.152 1.638 -8.810 403 HB3 TYR 53 HB1 TYR 53 10.167 2.950 -9.985 404 H CYS 54 HN CYS 54 10.088 5.684 -6.999 405 HA CYS 54 HA CYS 54 7.399 5.895 -7.266 406 HB2 CYS 54 HB2 CYS 54 8.052 4.027 -5.028 407 HB3 CYS 54 HB1 CYS 54 6.800 5.228 -4.741 408 H SER 55 HN SER 55 9.847 6.003 -4.681 409 HA SER 55 HA SER 55 10.288 7.499 -3.041 410 HG SER 55 HG SER 55 10.933 9.219 -6.057 411 HB2 SER 55 HB2 SER 55 9.161 9.531 -4.993 412 HB3 SER 55 HB1 SER 55 10.159 9.891 -3.586 413 H THR 56 HN THR 56 8.836 6.672 -1.567 414 HA THR 56 HA THR 56 6.458 8.002 -0.864 415 HB THR 56 HB THR 56 6.065 5.213 -1.996 416 HG1 THR 56 HG1 THR 56 5.939 7.700 -3.292 417 HG21 THR 56 HG21 THR 56 4.114 7.391 -1.256 418 HG22 THR 56 HG22 THR 56 4.443 5.930 -0.326 419 HG23 THR 56 HG23 THR 56 3.691 5.811 -1.916 420 H LEU 57 HN LEU 57 8.340 7.732 0.763 421 HA LEU 57 HA LEU 57 9.285 5.281 1.646 422 HG LEU 57 HG LEU 57 11.425 5.958 2.714 423 HB2 LEU 57 HB2 LEU 57 9.896 7.823 2.201 424 HB3 LEU 57 HB1 LEU 57 8.973 7.460 3.646 425 HD11 LEU 57 HD11 LEU 57 11.062 7.916 4.975 426 HD12 LEU 57 HD12 LEU 57 11.948 8.207 3.479 427 HD13 LEU 57 HD13 LEU 57 12.527 6.998 4.625 428 HD21 LEU 57 HD21 LEU 57 11.332 4.877 4.910 429 HD22 LEU 57 HD22 LEU 57 9.902 4.515 3.945 430 HD23 LEU 57 HD23 LEU 57 9.808 5.700 5.248 431 H TYR 58 HN TYR 58 8.093 3.642 2.322 432 HA TYR 58 HA TYR 58 5.571 4.084 3.659 433 HD1 TYR 58 HD2 TYR 58 3.855 3.001 1.683 434 HD2 TYR 58 HD1 TYR 58 7.780 1.558 0.903 435 HE1 TYR 58 HE2 TYR 58 3.465 3.249 -0.734 436 HE2 TYR 58 HE1 TYR 58 7.401 1.808 -1.509 437 HH TYR 58 HH TYR 58 4.766 3.539 -2.778 438 HB2 TYR 58 HB2 TYR 58 6.917 1.435 3.086 439 HB3 TYR 58 HB1 TYR 58 5.209 1.722 3.406 440 H ARG 59 HN ARG 59 5.805 4.720 5.709 441 HA ARG 59 HA ARG 59 7.843 3.443 7.373 442 HE ARG 59 HE ARG 59 6.248 7.930 9.717 443 HB2 ARG 59 HB2 ARG 59 7.355 5.994 7.344 444 HB3 ARG 59 HB1 ARG 59 5.952 5.583 8.325 445 HG2 ARG 59 HG2 ARG 59 7.797 4.270 9.714 446 HG3 ARG 59 HG1 ARG 59 8.836 5.499 8.998 447 HD2 ARG 59 HD2 ARG 59 6.423 5.917 10.750 448 HD3 ARG 59 HD1 ARG 59 8.103 6.285 11.129 449 HH11 ARG 59 HH11 ARG 59 9.682 7.126 9.826 450 HH12 ARG 59 HH12 ARG 59 10.176 8.735 9.391 451 HH21 ARG 59 HH21 ARG 59 6.921 10.006 9.154 452 HH22 ARG 59 HH22 ARG 59 8.614 10.362 8.997 453 H TYR 60 HN TYR 60 7.357 1.785 8.647 454 HA TYR 60 HA TYR 60 4.607 1.071 9.180 455 HD1 TYR 60 HD2 TYR 60 3.988 -1.446 8.825 456 HD2 TYR 60 HD1 TYR 60 6.471 -1.248 12.273 457 HE1 TYR 60 HE2 TYR 60 2.552 -3.097 9.945 458 HE2 TYR 60 HE1 TYR 60 5.043 -2.901 13.402 459 HH TYR 60 HH TYR 60 2.824 -3.804 13.301 460 HB2 TYR 60 HB2 TYR 60 6.445 -0.616 8.790 461 HB3 TYR 60 HB1 TYR 60 7.131 -0.139 10.339 462 H ASP 61 HN ASP 61 3.725 2.649 10.428 463 HA ASP 61 HA ASP 61 5.295 3.721 12.640 464 HB2 ASP 61 HB2 ASP 61 4.265 5.291 11.044 465 HB3 ASP 61 HB1 ASP 61 2.672 4.680 11.485 466 HA PRO 62 HA PRO 62 3.003 1.145 15.423 467 HB2 PRO 62 HB2 PRO 62 4.200 1.962 17.699 468 HB3 PRO 62 HB1 PRO 62 4.994 0.904 16.529 469 HG2 PRO 62 HG2 PRO 62 5.305 3.848 16.939 470 HG3 PRO 62 HG1 PRO 62 6.547 2.625 16.608 471 HD2 PRO 62 HD2 PRO 62 5.516 4.290 14.702 472 HD3 PRO 62 HD1 PRO 62 6.168 2.678 14.349 473 H SER 63 HN SER 63 2.953 4.606 15.424 474 HA SER 63 HA SER 63 0.932 4.710 17.512 475 HG SER 63 HG SER 63 2.832 6.557 15.102 476 HB2 SER 63 HB2 SER 63 1.020 7.237 16.388 477 HB3 SER 63 HB1 SER 63 1.925 6.707 17.805 478 H LEU 64 HN LEU 64 1.118 4.332 14.143 479 HA LEU 64 HA LEU 64 -1.632 5.109 13.662 480 HG LEU 64 HG LEU 64 1.021 5.939 12.162 481 HB2 LEU 64 HB2 LEU 64 0.344 3.601 11.938 482 HB3 LEU 64 HB1 LEU 64 -1.254 4.097 11.421 483 HD11 LEU 64 HD11 LEU 64 0.985 6.534 9.795 484 HD12 LEU 64 HD12 LEU 64 -0.275 5.334 9.510 485 HD13 LEU 64 HD13 LEU 64 1.332 4.820 10.023 486 HD21 LEU 64 HD21 LEU 64 -1.131 6.903 12.787 487 HD22 LEU 64 HD22 LEU 64 -1.755 6.579 11.169 488 HD23 LEU 64 HD23 LEU 64 -0.445 7.738 11.392 489 H SER 65 HN SER 65 -2.487 2.966 12.063 490 HA SER 65 HA SER 65 -2.456 0.655 13.841 491 HG SER 65 HG SER 65 -4.683 3.274 12.988 492 HB2 SER 65 HB2 SER 65 -4.990 0.512 13.549 493 HB3 SER 65 HB1 SER 65 -4.390 1.761 14.635 494 H TYR 66 HN TYR 66 -3.562 -1.256 12.797 495 HA TYR 66 HA TYR 66 -2.247 -1.754 10.359 496 HD1 TYR 66 HD1 TYR 66 -1.071 -4.430 10.715 497 HD2 TYR 66 HD2 TYR 66 -3.511 -3.190 13.971 498 HE1 TYR 66 HE1 TYR 66 0.639 -5.223 12.290 499 HE2 TYR 66 HE2 TYR 66 -1.806 -3.978 15.557 500 HH TYR 66 HH TYR 66 0.052 -5.637 15.590 501 HB2 TYR 66 HB2 TYR 66 -4.420 -3.333 11.745 502 HB3 TYR 66 HB1 TYR 66 -3.450 -3.925 10.400 503 H ASN 67 HN ASN 67 -5.409 -0.539 11.033 504 HA ASN 67 HA ASN 67 -6.246 -1.020 8.258 505 HB2 ASN 67 HB2 ASN 67 -7.871 -0.093 10.642 506 HB3 ASN 67 HB1 ASN 67 -8.507 -0.406 9.030 507 HD21 ASN 67 HD21 ASN 67 -7.345 -1.790 11.975 508 HD22 ASN 67 HD22 ASN 67 -7.781 -3.431 11.624 509 H GLN 68 HN GLN 68 -4.319 1.039 9.338 510 HA GLN 68 HA GLN 68 -5.729 3.454 8.425 511 HB2 GLN 68 HB2 GLN 68 -5.447 3.416 10.871 512 HB3 GLN 68 HB1 GLN 68 -3.714 3.235 10.664 513 HG2 GLN 68 HG2 GLN 68 -3.549 5.419 9.700 514 HG3 GLN 68 HG1 GLN 68 -5.303 5.600 9.715 515 HE21 GLN 68 HE21 GLN 68 -5.196 7.443 10.997 516 HE22 GLN 68 HE22 GLN 68 -4.801 7.371 12.676 517 H THR 69 HN THR 69 -4.625 4.839 7.146 518 HA THR 69 HA THR 69 -1.983 3.972 6.201 519 HB THR 69 HB THR 69 -3.729 3.916 4.486 520 HG1 THR 69 HG1 THR 69 -1.532 4.656 3.968 521 HG21 THR 69 HG21 THR 69 -4.823 5.974 3.719 522 HG22 THR 69 HG22 THR 69 -4.064 6.860 5.041 523 HG23 THR 69 HG23 THR 69 -5.238 5.592 5.390 524 H ASN 70 HN ASN 70 -1.974 6.770 4.825 525 HA ASN 70 HA ASN 70 -0.733 8.096 7.127 526 HB2 ASN 70 HB2 ASN 70 0.559 9.378 5.547 527 HB3 ASN 70 HB1 ASN 70 0.651 7.686 5.077 528 HD21 ASN 70 HD21 ASN 70 1.055 10.146 3.524 529 HD22 ASN 70 HD22 ASN 70 -0.031 10.036 2.186 530 HA PRO 71 HA PRO 71 -3.797 11.148 7.443 531 HB2 PRO 71 HB2 PRO 71 -1.818 13.289 7.738 532 HB3 PRO 71 HB1 PRO 71 -2.926 12.621 8.938 533 HG2 PRO 71 HG2 PRO 71 -0.262 12.202 9.048 534 HG3 PRO 71 HG1 PRO 71 -1.438 10.999 9.606 535 HD2 PRO 71 HD2 PRO 71 0.105 11.094 7.036 536 HD3 PRO 71 HD1 PRO 71 -0.273 9.703 8.076 537 H THR 72 HN THR 72 -4.835 11.499 5.608 538 HA THR 72 HA THR 72 -4.647 13.853 4.139 539 HB THR 72 HB THR 72 -3.460 11.462 2.684 540 HG1 THR 72 HG1 THR 72 -2.129 13.146 3.911 541 HG21 THR 72 HG21 THR 72 -3.524 12.845 0.652 542 HG22 THR 72 HG22 THR 72 -4.418 14.083 1.534 543 HG23 THR 72 HG23 THR 72 -5.142 12.498 1.265 544 H GLY 73 HN GLY 73 -5.325 10.399 3.731 545 HA2 GLY 73 HA2 GLY 73 -7.702 9.700 3.744 546 HA3 GLY 73 HA1 GLY 73 -8.014 11.104 2.730 547 H CYS 74 HN CYS 74 -5.426 8.693 2.606 548 HA CYS 74 HA CYS 74 -5.875 8.422 -0.259 549 HG CYS 74 HG CYS 74 -2.321 9.241 1.918 550 HB2 CYS 74 HB2 CYS 74 -3.671 7.155 1.370 551 HB3 CYS 74 HB1 CYS 74 -3.689 7.484 -0.359 552 H LEU 75 HN LEU 75 -7.116 6.809 -0.989 553 HA LEU 75 HA LEU 75 -6.652 4.122 -0.197 554 HG LEU 75 HG LEU 75 -9.324 6.560 0.313 555 HB2 LEU 75 HB2 LEU 75 -8.957 3.630 0.585 556 HB3 LEU 75 HB1 LEU 75 -8.039 4.636 1.685 557 HD11 LEU 75 HD11 LEU 75 -11.226 4.219 0.327 558 HD12 LEU 75 HD12 LEU 75 -10.545 5.000 -1.101 559 HD13 LEU 75 HD13 LEU 75 -11.643 5.891 -0.048 560 HD21 LEU 75 HD21 LEU 75 -10.905 6.636 2.179 561 HD22 LEU 75 HD22 LEU 75 -9.259 6.320 2.728 562 HD23 LEU 75 HD23 LEU 75 -10.428 5.003 2.647 563 H TYR 76 HN TYR 76 -7.136 2.789 -1.851 564 HA TYR 76 HA TYR 76 -8.640 3.957 -4.085 565 HD1 TYR 76 HD2 TYR 76 -8.423 0.297 -5.560 566 HD2 TYR 76 HD1 TYR 76 -6.837 4.085 -6.673 567 HE1 TYR 76 HE2 TYR 76 -9.124 -0.101 -7.881 568 HE2 TYR 76 HE1 TYR 76 -7.538 3.698 -8.999 569 HH TYR 76 HH TYR 76 -8.056 1.803 -10.479 570 HB2 TYR 76 HB2 TYR 76 -6.312 3.142 -4.536 571 HB3 TYR 76 HB1 TYR 76 -6.836 1.520 -4.100 572 H ASN 77 HN ASN 77 -10.730 3.555 -3.421 573 HA ASN 77 HA ASN 77 -11.514 0.736 -3.563 574 HB2 ASN 77 HB2 ASN 77 -12.337 2.683 -1.409 575 HB3 ASN 77 HB1 ASN 77 -13.299 1.262 -1.798 576 HD21 ASN 77 HD21 ASN 77 -10.467 2.460 -0.266 577 HD22 ASN 77 HD22 ASN 77 -9.948 0.964 0.420 578 HA PRO 78 HA PRO 78 -14.282 2.792 -6.457 579 HB2 PRO 78 HB2 PRO 78 -15.062 0.504 -7.691 580 HB3 PRO 78 HB1 PRO 78 -13.543 1.325 -8.068 581 HG2 PRO 78 HG2 PRO 78 -14.030 -1.074 -6.357 582 HG3 PRO 78 HG1 PRO 78 -12.710 -0.758 -7.496 583 HD2 PRO 78 HD2 PRO 78 -12.469 -0.476 -4.790 584 HD3 PRO 78 HD1 PRO 78 -11.511 0.451 -5.960 585 H LYS 79 HN LYS 79 -16.247 3.388 -5.821 586 HA LYS 79 HA LYS 79 -17.923 1.429 -4.386 587 HB2 LYS 79 HB2 LYS 79 -18.032 4.455 -4.314 588 HB3 LYS 79 HB1 LYS 79 -19.086 3.374 -3.414 589 HG2 LYS 79 HG2 LYS 79 -17.164 2.527 -2.168 590 HG3 LYS 79 HG1 LYS 79 -16.100 3.602 -3.076 591 HD2 LYS 79 HD2 LYS 79 -17.419 5.531 -2.209 592 HD3 LYS 79 HD1 LYS 79 -18.320 4.402 -1.197 593 HE2 LYS 79 HE2 LYS 79 -15.328 4.767 -1.105 594 HE3 LYS 79 HE1 LYS 79 -16.462 5.563 -0.017 595 HZ1 LYS 79 HZ1 LYS 79 -15.436 3.542 0.922 596 HZ2 LYS 79 HZ2 LYS 79 -16.195 2.611 -0.278 597 HZ3 LYS 79 HZ3 LYS 79 -17.129 3.454 0.860 598 H LEU 80 HN LEU 80 -17.593 1.834 -7.314 599 HA LEU 80 HA LEU 80 -20.077 3.059 -8.176 600 HG LEU 80 HG LEU 80 -17.100 3.781 -8.810 601 HB2 LEU 80 HB2 LEU 80 -17.920 1.657 -9.759 602 HB3 LEU 80 HB1 LEU 80 -19.292 2.504 -10.449 603 HD11 LEU 80 HD11 LEU 80 -17.662 3.882 -11.770 604 HD12 LEU 80 HD12 LEU 80 -16.313 3.050 -10.997 605 HD13 LEU 80 HD13 LEU 80 -16.425 4.808 -10.920 606 HD21 LEU 80 HD21 LEU 80 -19.421 4.999 -10.300 607 HD22 LEU 80 HD22 LEU 80 -18.122 5.891 -9.510 608 HD23 LEU 80 HD23 LEU 80 -19.238 4.921 -8.548 609 H GLU 81 HN GLU 81 -18.599 -0.036 -9.090 610 HA GLU 81 HA GLU 81 -19.437 -2.087 -9.513 611 HB2 GLU 81 HB2 GLU 81 -21.080 -1.275 -7.134 612 HB3 GLU 81 HB1 GLU 81 -21.288 -2.846 -7.891 613 HG2 GLU 81 HG2 GLU 81 -19.818 -3.050 -6.007 614 HG3 GLU 81 HG1 GLU 81 -18.910 -3.329 -7.488 615 H HIS 82 HN HIS 82 -20.248 -1.982 -11.550 616 HA HIS 82 HA HIS 82 -22.853 -0.900 -12.098 617 HD1 HIS 82 HD1 HIS 82 -19.753 -1.157 -15.596 618 HD2 HIS 82 HD2 HIS 82 -22.000 1.086 -12.907 619 HE1 HIS 82 HE1 HIS 82 -19.067 1.238 -15.967 620 HE2 HIS 82 HE2 HIS 82 -20.524 2.592 -14.408 621 HB2 HIS 82 HB2 HIS 82 -20.954 -2.555 -13.767 622 HB3 HIS 82 HB1 HIS 82 -22.517 -2.006 -14.356 623 H HIS 83 HN HIS 83 -21.477 -4.148 -11.808 624 HA HIS 83 HA HIS 83 -24.201 -5.244 -11.826 625 HD1 HIS 83 HD1 HIS 83 -24.859 -6.855 -13.930 626 HD2 HIS 83 HD2 HIS 83 -20.888 -5.917 -14.717 627 HE1 HIS 83 HE1 HIS 83 -24.717 -6.556 -16.421 628 HE2 HIS 83 HE2 HIS 83 -22.272 -6.182 -16.890 629 HB2 HIS 83 HB2 HIS 83 -21.513 -6.582 -12.162 630 HB3 HIS 83 HB1 HIS 83 -23.025 -7.468 -12.001 631 H HIS 84 HN HIS 84 -24.892 -6.642 -10.161 632 HA HIS 84 HA HIS 84 -23.820 -5.958 -7.589 633 HD1 HIS 84 HD1 HIS 84 -26.447 -9.660 -6.920 634 HD2 HIS 84 HD2 HIS 84 -26.737 -7.484 -10.453 635 HE1 HIS 84 HE1 HIS 84 -27.650 -11.158 -8.544 636 HE2 HIS 84 HE2 HIS 84 -28.024 -9.718 -10.581 637 HB2 HIS 84 HB2 HIS 84 -25.621 -7.353 -6.654 638 HB3 HIS 84 HB1 HIS 84 -26.231 -6.186 -7.816 639 H HIS 85 HN HIS 85 -21.809 -6.752 -7.383 640 HA HIS 85 HA HIS 85 -21.552 -9.687 -7.354 641 HD1 HIS 85 HD1 HIS 85 -19.297 -11.151 -9.273 642 HD2 HIS 85 HD2 HIS 85 -17.475 -8.723 -6.422 643 HE1 HIS 85 HE1 HIS 85 -17.291 -12.433 -8.465 644 HE2 HIS 85 HE2 HIS 85 -16.272 -11.004 -6.658 645 HB2 HIS 85 HB2 HIS 85 -20.241 -8.770 -9.194 646 HB3 HIS 85 HB1 HIS 85 -19.470 -7.618 -8.113 647 H HIS 86 HN HIS 86 -21.495 -10.341 -5.311 648 HA HIS 86 HA HIS 86 -19.837 -8.782 -3.433 649 HD1 HIS 86 HD1 HIS 86 -21.498 -7.432 -0.799 650 HD2 HIS 86 HD2 HIS 86 -23.615 -8.089 -4.323 651 HE1 HIS 86 HE1 HIS 86 -22.850 -5.339 -1.184 652 HE2 HIS 86 HE2 HIS 86 -24.099 -5.740 -3.341 653 HB2 HIS 86 HB2 HIS 86 -22.394 -10.299 -2.899 654 HB3 HIS 86 HB1 HIS 86 -21.301 -9.793 -1.617 655 H HIS 87 HN HIS 87 -21.309 -11.926 -2.894 656 HA HIS 87 HA HIS 87 -19.352 -13.647 -3.748 657 HD1 HIS 87 HD1 HIS 87 -18.687 -14.752 0.535 658 HD2 HIS 87 HD2 HIS 87 -19.342 -10.739 -0.336 659 HE1 HIS 87 HE1 HIS 87 -19.342 -13.682 2.716 660 HE2 HIS 87 HE2 HIS 87 -19.509 -11.223 2.203 661 HB2 HIS 87 HB2 HIS 87 -18.027 -14.176 -1.784 662 HB3 HIS 87 HB1 HIS 87 -17.826 -12.471 -2.158 Start of MODEL 20 1 HA MET 1 HA MET 1 -4.306 -7.864 10.329 2 H1 MET 1 HT1 MET 1 -5.619 -9.267 11.795 3 H2 MET 1 HT2 MET 1 -6.553 -9.789 10.481 4 H3 MET 1 HT3 MET 1 -6.597 -8.162 10.957 5 HB2 MET 1 HB2 MET 1 -4.509 -10.782 9.547 6 HB3 MET 1 HB1 MET 1 -3.227 -9.720 8.993 7 HG2 MET 1 HG2 MET 1 -2.419 -11.015 10.823 8 HG3 MET 1 HG1 MET 1 -2.576 -9.338 11.341 9 HE1 MET 1 HE1 MET 1 -2.220 -11.814 13.345 10 HE2 MET 1 HE2 MET 1 -3.374 -11.367 14.602 11 HE3 MET 1 HE3 MET 1 -2.346 -10.136 13.867 12 H ALA 2 HN ALA 2 -3.582 -8.405 7.751 13 HA ALA 2 HA ALA 2 -5.904 -7.468 6.242 14 HB1 ALA 2 HB1 ALA 2 -2.993 -7.566 5.456 15 HB2 ALA 2 HB2 ALA 2 -3.849 -6.152 6.072 16 HB3 ALA 2 HB3 ALA 2 -4.295 -6.844 4.512 17 H ASP 3 HN ASP 3 -7.101 -9.231 5.713 18 HA ASP 3 HA ASP 3 -5.700 -11.425 4.339 19 HB2 ASP 3 HB2 ASP 3 -7.409 -12.961 5.186 20 HB3 ASP 3 HB1 ASP 3 -6.582 -12.151 6.510 21 H TYR 4 HN TYR 4 -6.432 -12.128 2.451 22 HA TYR 4 HA TYR 4 -7.604 -12.371 0.550 23 HD1 TYR 4 HD1 TYR 4 -9.425 -14.192 -0.027 24 HD2 TYR 4 HD2 TYR 4 -11.285 -10.364 0.080 25 HE1 TYR 4 HE1 TYR 4 -10.676 -14.747 -2.068 26 HE2 TYR 4 HE2 TYR 4 -12.540 -10.913 -1.963 27 HH TYR 4 HH TYR 4 -12.633 -14.111 -3.257 28 HB2 TYR 4 HB2 TYR 4 -9.551 -12.757 2.093 29 HB3 TYR 4 HB1 TYR 4 -9.961 -11.056 1.897 30 H ASN 5 HN ASN 5 -8.624 -9.232 1.931 31 HA ASN 5 HA ASN 5 -7.645 -7.965 -0.533 32 HB2 ASN 5 HB2 ASN 5 -9.617 -6.501 -0.608 33 HB3 ASN 5 HB1 ASN 5 -10.078 -8.192 -0.760 34 HD21 ASN 5 HD21 ASN 5 -10.320 -5.320 1.113 35 HD22 ASN 5 HD22 ASN 5 -11.422 -5.935 2.300 36 H ILE 6 HN ILE 6 -6.805 -5.905 -0.300 37 HA ILE 6 HA ILE 6 -6.514 -4.973 2.485 38 HB ILE 6 HB ILE 6 -4.283 -4.107 1.882 39 HG12 ILE 6 HG12 ILE 6 -4.676 -5.635 -0.703 40 HG13 ILE 6 HG11 ILE 6 -4.656 -3.881 -0.554 41 HG21 ILE 6 HG21 ILE 6 -4.643 -7.065 1.416 42 HG22 ILE 6 HG22 ILE 6 -4.460 -6.262 2.977 43 HG23 ILE 6 HG23 ILE 6 -3.122 -6.270 1.827 44 HD11 ILE 6 HD11 ILE 6 -2.357 -5.726 0.051 45 HD12 ILE 6 HD12 ILE 6 -2.339 -3.968 0.185 46 HD13 ILE 6 HD13 ILE 6 -2.542 -4.729 -1.393 47 HA PRO 7 HA PRO 7 -8.201 -1.096 1.223 48 HB2 PRO 7 HB2 PRO 7 -6.222 0.184 3.009 49 HB3 PRO 7 HB1 PRO 7 -7.986 0.242 3.062 50 HG2 PRO 7 HG2 PRO 7 -6.596 -1.168 4.857 51 HG3 PRO 7 HG1 PRO 7 -8.150 -1.754 4.228 52 HD2 PRO 7 HD2 PRO 7 -5.367 -2.589 3.490 53 HD3 PRO 7 HD1 PRO 7 -6.819 -3.586 3.720 54 H HIS 8 HN HIS 8 -7.807 0.319 -0.392 55 HA HIS 8 HA HIS 8 -5.110 0.357 -1.465 56 HD1 HIS 8 HD1 HIS 8 -8.864 -0.438 -4.010 57 HD2 HIS 8 HD2 HIS 8 -8.555 2.934 -1.585 58 HE1 HIS 8 HE1 HIS 8 -11.210 0.436 -3.751 59 HE2 HIS 8 HE2 HIS 8 -11.015 2.452 -2.251 60 HB2 HIS 8 HB2 HIS 8 -6.252 1.611 -3.410 61 HB3 HIS 8 HB1 HIS 8 -6.565 -0.104 -3.207 62 H PHE 9 HN PHE 9 -3.759 1.877 -1.150 63 HA PHE 9 HA PHE 9 -4.653 4.477 -0.139 64 HD1 PHE 9 HD1 PHE 9 -3.591 5.226 2.499 65 HD2 PHE 9 HD2 PHE 9 -2.781 1.224 1.308 66 HE1 PHE 9 HE1 PHE 9 -4.316 4.425 4.708 67 HE2 PHE 9 HE2 PHE 9 -3.507 0.416 3.514 68 HZ PHE 9 HZ PHE 9 -4.277 2.019 5.217 69 HB2 PHE 9 HB2 PHE 9 -1.969 3.078 0.016 70 HB3 PHE 9 HB1 PHE 9 -2.234 4.740 0.539 71 H GLN 10 HN GLN 10 -2.515 6.085 -0.810 72 HA GLN 10 HA GLN 10 -2.914 6.165 -3.726 73 HB2 GLN 10 HB2 GLN 10 -2.435 8.533 -1.914 74 HB3 GLN 10 HB1 GLN 10 -2.878 8.570 -3.612 75 HG2 GLN 10 HG2 GLN 10 -4.993 7.262 -2.747 76 HG3 GLN 10 HG1 GLN 10 -4.560 8.036 -1.220 77 HE21 GLN 10 HE21 GLN 10 -4.561 10.332 -1.110 78 HE22 GLN 10 HE22 GLN 10 -5.471 11.264 -2.243 79 H ASN 11 HN ASN 11 -1.255 7.482 -4.866 80 HA ASN 11 HA ASN 11 1.378 6.549 -3.977 81 HB2 ASN 11 HB2 ASN 11 0.042 6.525 -6.637 82 HB3 ASN 11 HB1 ASN 11 1.790 6.728 -6.594 83 HD21 ASN 11 HD21 ASN 11 0.191 4.910 -4.111 84 HD22 ASN 11 HD22 ASN 11 0.730 3.353 -4.624 85 H ASP 12 HN ASP 12 3.150 7.710 -5.336 86 HA ASP 12 HA ASP 12 3.580 10.159 -4.148 87 HB2 ASP 12 HB2 ASP 12 5.544 10.314 -5.577 88 HB3 ASP 12 HB1 ASP 12 5.329 8.665 -4.998 89 H LEU 13 HN LEU 13 1.234 9.966 -6.349 90 HA LEU 13 HA LEU 13 1.794 12.047 -8.176 91 HG LEU 13 HG LEU 13 0.307 9.298 -8.288 92 HB2 LEU 13 HB2 LEU 13 -0.864 11.106 -7.088 93 HB3 LEU 13 HB1 LEU 13 -0.658 12.154 -8.479 94 HD11 LEU 13 HD11 LEU 13 -2.099 9.380 -8.396 95 HD12 LEU 13 HD12 LEU 13 -1.458 8.859 -9.954 96 HD13 LEU 13 HD13 LEU 13 -2.034 10.514 -9.743 97 HD21 LEU 13 HD21 LEU 13 1.722 10.661 -9.727 98 HD22 LEU 13 HD22 LEU 13 0.302 11.225 -10.608 99 HD23 LEU 13 HD23 LEU 13 0.765 9.524 -10.677 100 H GLY 14 HN GLY 14 0.916 12.023 -4.840 101 HA2 GLY 14 HA2 GLY 14 1.245 14.917 -4.776 102 HA3 GLY 14 HA1 GLY 14 -0.285 14.296 -4.173 103 H TYR 15 HN TYR 15 2.697 12.532 -3.811 104 HA TYR 15 HA TYR 15 2.906 13.268 -1.000 105 HD1 TYR 15 HD2 TYR 15 1.133 12.554 0.804 106 HD2 TYR 15 HD1 TYR 15 0.335 10.095 -2.572 107 HE1 TYR 15 HE2 TYR 15 -1.278 12.744 1.242 108 HE2 TYR 15 HE1 TYR 15 -2.077 10.280 -2.145 109 HH TYR 15 HH TYR 15 -3.396 12.542 -0.002 110 HB2 TYR 15 HB2 TYR 15 2.525 10.404 -1.906 111 HB3 TYR 15 HB1 TYR 15 2.871 10.920 -0.262 112 H LYS 16 HN LYS 16 4.874 12.296 0.010 113 HA LYS 16 HA LYS 16 6.891 11.460 -1.953 114 HB2 LYS 16 HB2 LYS 16 7.071 13.935 -1.460 115 HB3 LYS 16 HB1 LYS 16 7.482 13.497 0.192 116 HG2 LYS 16 HG2 LYS 16 9.479 13.968 -1.100 117 HG3 LYS 16 HG1 LYS 16 9.435 12.271 -0.614 118 HD2 LYS 16 HD2 LYS 16 8.547 11.688 -2.845 119 HD3 LYS 16 HD1 LYS 16 8.682 13.381 -3.318 120 HE2 LYS 16 HE2 LYS 16 10.970 11.612 -2.459 121 HE3 LYS 16 HE1 LYS 16 10.573 12.030 -4.125 122 HZ1 LYS 16 HZ1 LYS 16 12.314 13.451 -3.397 123 HZ2 LYS 16 HZ2 LYS 16 11.485 13.870 -1.983 124 HZ3 LYS 16 HZ3 LYS 16 10.908 14.395 -3.487 125 H ILE 17 HN ILE 17 5.886 11.676 1.417 126 HA ILE 17 HA ILE 17 7.315 9.152 1.917 127 HB ILE 17 HB ILE 17 7.268 11.523 3.803 128 HG12 ILE 17 HG12 ILE 17 9.595 10.154 2.428 129 HG13 ILE 17 HG11 ILE 17 8.925 11.720 1.981 130 HG21 ILE 17 HG21 ILE 17 8.588 10.126 5.317 131 HG22 ILE 17 HG22 ILE 17 8.425 8.767 4.206 132 HG23 ILE 17 HG23 ILE 17 6.999 9.424 5.006 133 HD11 ILE 17 HD11 ILE 17 10.232 11.051 4.609 134 HD12 ILE 17 HD12 ILE 17 9.577 12.623 4.147 135 HD13 ILE 17 HD13 ILE 17 10.965 11.956 3.286 136 H ILE 18 HN ILE 18 5.817 7.668 2.455 137 HA ILE 18 HA ILE 18 3.432 8.681 3.918 138 HB ILE 18 HB ILE 18 3.482 6.643 1.701 139 HG12 ILE 18 HG12 ILE 18 3.407 8.989 1.003 140 HG13 ILE 18 HG11 ILE 18 1.882 8.186 0.653 141 HG21 ILE 18 HG21 ILE 18 1.271 7.318 3.637 142 HG22 ILE 18 HG22 ILE 18 2.025 5.741 3.365 143 HG23 ILE 18 HG23 ILE 18 1.019 6.464 2.108 144 HD11 ILE 18 HD11 ILE 18 2.417 9.977 3.004 145 HD12 ILE 18 HD12 ILE 18 0.886 9.194 2.617 146 HD13 ILE 18 HD13 ILE 18 1.546 10.425 1.537 147 H GLU 19 HN GLU 19 2.995 7.774 5.805 148 HA GLU 19 HA GLU 19 4.306 5.276 6.548 149 HB2 GLU 19 HB2 GLU 19 2.564 7.113 8.197 150 HB3 GLU 19 HB1 GLU 19 3.506 5.758 8.803 151 HG2 GLU 19 HG2 GLU 19 5.559 6.888 8.103 152 HG3 GLU 19 HG1 GLU 19 4.600 8.254 7.537 153 H ILE 20 HN ILE 20 3.180 3.413 7.215 154 HA ILE 20 HA ILE 20 0.298 3.363 6.714 155 HB ILE 20 HB ILE 20 0.706 1.074 5.539 156 HG12 ILE 20 HG12 ILE 20 2.760 1.262 4.022 157 HG13 ILE 20 HG11 ILE 20 3.359 2.465 5.155 158 HG21 ILE 20 HG21 ILE 20 0.741 2.197 3.347 159 HG22 ILE 20 HG22 ILE 20 1.150 3.710 4.153 160 HG23 ILE 20 HG23 ILE 20 -0.397 2.929 4.480 161 HD11 ILE 20 HD11 ILE 20 3.304 0.789 6.938 162 HD12 ILE 20 HD12 ILE 20 4.334 0.299 5.593 163 HD13 ILE 20 HD13 ILE 20 2.729 -0.412 5.780 164 H GLY 21 HN GLY 21 -0.705 1.286 7.427 165 HA2 GLY 21 HA2 GLY 21 0.684 0.334 9.850 166 HA3 GLY 21 HA1 GLY 21 -1.056 0.547 9.733 167 H VAL 22 HN VAL 22 0.829 -0.839 7.144 168 HA VAL 22 HA VAL 22 -0.236 -3.506 7.820 169 HB VAL 22 HB VAL 22 0.057 -2.437 5.005 170 HG11 VAL 22 HG11 VAL 22 -1.226 -4.942 6.083 171 HG12 VAL 22 HG12 VAL 22 0.269 -4.844 5.152 172 HG13 VAL 22 HG13 VAL 22 -1.268 -4.422 4.399 173 HG21 VAL 22 HG21 VAL 22 -2.441 -2.713 6.670 174 HG22 VAL 22 HG22 VAL 22 -2.405 -2.338 4.948 175 HG23 VAL 22 HG23 VAL 22 -1.715 -1.207 6.112 176 H LYS 23 HN LYS 23 1.222 -5.141 7.755 177 HA LYS 23 HA LYS 23 3.989 -4.441 7.584 178 HB2 LYS 23 HB2 LYS 23 2.733 -7.178 7.840 179 HB3 LYS 23 HB1 LYS 23 4.417 -6.780 8.154 180 HG2 LYS 23 HG2 LYS 23 3.605 -5.223 9.947 181 HG3 LYS 23 HG1 LYS 23 1.998 -5.902 9.703 182 HD2 LYS 23 HD2 LYS 23 2.882 -8.141 10.219 183 HD3 LYS 23 HD1 LYS 23 4.467 -7.424 10.521 184 HE2 LYS 23 HE2 LYS 23 3.317 -5.963 12.246 185 HE3 LYS 23 HE1 LYS 23 1.913 -7.013 12.060 186 HZ1 LYS 23 HZ1 LYS 23 3.346 -8.903 12.671 187 HZ2 LYS 23 HZ2 LYS 23 3.218 -7.751 13.912 188 HZ3 LYS 23 HZ3 LYS 23 4.619 -7.826 12.961 189 H GLU 24 HN GLU 24 1.718 -5.914 5.410 190 HA GLU 24 HA GLU 24 3.881 -6.198 3.438 191 HB2 GLU 24 HB2 GLU 24 1.345 -7.822 3.719 192 HB3 GLU 24 HB1 GLU 24 2.428 -7.922 2.335 193 HG2 GLU 24 HG2 GLU 24 4.220 -8.714 3.752 194 HG3 GLU 24 HG1 GLU 24 3.207 -8.521 5.182 195 H PHE 25 HN PHE 25 3.777 -4.472 2.143 196 HA PHE 25 HA PHE 25 1.104 -3.437 1.466 197 HD1 PHE 25 HD2 PHE 25 0.118 -1.191 2.536 198 HD2 PHE 25 HD1 PHE 25 3.384 -0.212 -0.010 199 HE1 PHE 25 HE2 PHE 25 -1.172 0.682 1.605 200 HE2 PHE 25 HE1 PHE 25 2.092 1.660 -0.950 201 HZ PHE 25 HZ PHE 25 -0.187 2.109 -0.142 202 HB2 PHE 25 HB2 PHE 25 2.498 -1.974 2.964 203 HB3 PHE 25 HB1 PHE 25 3.660 -1.831 1.650 204 H MET 26 HN MET 26 0.829 -2.524 -0.620 205 HA MET 26 HA MET 26 2.885 -3.037 -2.605 206 HB2 MET 26 HB2 MET 26 1.703 -5.150 -2.555 207 HB3 MET 26 HB1 MET 26 0.154 -4.333 -2.669 208 HG2 MET 26 HG2 MET 26 0.925 -5.386 -4.778 209 HG3 MET 26 HG1 MET 26 0.579 -3.664 -4.911 210 HE1 MET 26 HE1 MET 26 1.867 -3.511 -7.189 211 HE2 MET 26 HE2 MET 26 2.229 -5.235 -7.125 212 HE3 MET 26 HE3 MET 26 3.520 -4.074 -7.434 213 H CYS 27 HN CYS 27 2.708 -1.759 -4.411 214 HA CYS 27 HA CYS 27 1.092 0.582 -4.261 215 HB2 CYS 27 HB2 CYS 27 3.001 -0.556 -6.268 216 HB3 CYS 27 HB1 CYS 27 1.941 0.762 -6.747 217 H VAL 28 HN VAL 28 -0.618 1.208 -5.609 218 HA VAL 28 HA VAL 28 -2.360 -0.858 -6.519 219 HB VAL 28 HB VAL 28 -3.766 0.984 -7.402 220 HG11 VAL 28 HG11 VAL 28 -2.742 1.383 -4.595 221 HG12 VAL 28 HG12 VAL 28 -4.028 0.285 -5.097 222 HG13 VAL 28 HG13 VAL 28 -4.255 2.029 -5.229 223 HG21 VAL 28 HG21 VAL 28 -3.126 3.311 -6.991 224 HG22 VAL 28 HG22 VAL 28 -1.994 2.517 -8.087 225 HG23 VAL 28 HG23 VAL 28 -1.554 2.775 -6.400 226 H GLY 29 HN GLY 29 -3.105 -1.124 -8.736 227 HA2 GLY 29 HA2 GLY 29 -1.427 -0.071 -10.853 228 HA3 GLY 29 HA1 GLY 29 -1.256 -1.795 -10.558 229 H ALA 30 HN ALA 30 -2.034 -1.095 -12.991 230 HA ALA 30 HA ALA 30 -4.954 -1.286 -13.103 231 HB1 ALA 30 HB1 ALA 30 -3.928 0.457 -14.460 232 HB2 ALA 30 HB2 ALA 30 -4.688 -0.758 -15.489 233 HB3 ALA 30 HB3 ALA 30 -2.937 -0.746 -15.284 234 H THR 31 HN THR 31 -3.239 -3.499 -12.292 235 HA THR 31 HA THR 31 -3.039 -5.734 -12.556 236 HB THR 31 HB THR 31 -5.046 -5.514 -14.809 237 HG1 THR 31 HG1 THR 31 -5.741 -6.146 -12.136 238 HG21 THR 31 HG21 THR 31 -4.349 -7.780 -12.934 239 HG22 THR 31 HG22 THR 31 -3.930 -7.685 -14.646 240 HG23 THR 31 HG23 THR 31 -5.620 -7.810 -14.156 241 H GLN 32 HN GLN 32 -0.899 -5.253 -13.242 242 HA GLN 32 HA GLN 32 -0.311 -6.243 -15.925 243 HB2 GLN 32 HB2 GLN 32 0.727 -3.649 -14.757 244 HB3 GLN 32 HB1 GLN 32 1.520 -4.476 -16.088 245 HG2 GLN 32 HG2 GLN 32 -1.344 -3.576 -16.195 246 HG3 GLN 32 HG1 GLN 32 0.007 -2.564 -16.704 247 HE21 GLN 32 HE21 GLN 32 1.170 -3.128 -18.551 248 HE22 GLN 32 HE22 GLN 32 0.549 -4.237 -19.722 249 HA PRO 33 HA PRO 33 2.877 -8.597 -13.842 250 HB2 PRO 33 HB2 PRO 33 4.821 -7.442 -15.788 251 HB3 PRO 33 HB1 PRO 33 4.514 -9.134 -15.372 252 HG2 PRO 33 HG2 PRO 33 3.623 -8.117 -17.665 253 HG3 PRO 33 HG1 PRO 33 2.645 -9.269 -16.739 254 HD2 PRO 33 HD2 PRO 33 2.345 -6.312 -17.006 255 HD3 PRO 33 HD1 PRO 33 1.098 -7.567 -16.864 256 H PHE 34 HN PHE 34 3.618 -7.936 -11.914 257 HA PHE 34 HA PHE 34 4.305 -5.152 -11.542 258 HD1 PHE 34 HD2 PHE 34 2.459 -4.116 -10.287 259 HD2 PHE 34 HD1 PHE 34 1.945 -8.275 -9.537 260 HE1 PHE 34 HE2 PHE 34 0.018 -3.825 -10.371 261 HE2 PHE 34 HE1 PHE 34 -0.498 -7.992 -9.631 262 HZ PHE 34 HZ PHE 34 -1.465 -5.765 -10.045 263 HB2 PHE 34 HB2 PHE 34 4.067 -7.403 -9.538 264 HB3 PHE 34 HB1 PHE 34 4.261 -5.698 -9.138 265 H ASP 35 HN ASP 35 6.215 -6.754 -13.008 266 HA ASP 35 HA ASP 35 8.464 -7.041 -11.185 267 HB2 ASP 35 HB2 ASP 35 8.263 -7.497 -14.172 268 HB3 ASP 35 HB1 ASP 35 9.696 -7.815 -13.200 269 H HIS 36 HN HIS 36 7.094 -4.649 -13.170 270 HA HIS 36 HA HIS 36 9.551 -3.060 -12.967 271 HD1 HIS 36 HD1 HIS 36 10.818 -1.855 -16.429 272 HD2 HIS 36 HD2 HIS 36 10.241 -5.648 -14.823 273 HE1 HIS 36 HE1 HIS 36 12.879 -3.168 -17.031 274 HE2 HIS 36 HE2 HIS 36 12.393 -5.518 -16.249 275 HB2 HIS 36 HB2 HIS 36 7.984 -3.626 -15.433 276 HB3 HIS 36 HB1 HIS 36 8.676 -2.019 -15.248 277 HA PRO 37 HA PRO 37 5.812 0.105 -13.585 278 HB2 PRO 37 HB2 PRO 37 3.482 -1.041 -12.504 279 HB3 PRO 37 HB1 PRO 37 3.781 -0.669 -14.202 280 HG2 PRO 37 HG2 PRO 37 4.054 -3.244 -12.745 281 HG3 PRO 37 HG1 PRO 37 3.563 -2.947 -14.423 282 HD2 PRO 37 HD2 PRO 37 5.992 -3.898 -13.847 283 HD3 PRO 37 HD1 PRO 37 5.764 -2.713 -15.150 284 H HIS 38 HN HIS 38 5.040 -2.167 -11.012 285 HA HIS 38 HA HIS 38 6.271 -0.443 -9.032 286 HD2 HIS 38 HD2 HIS 38 2.591 0.860 -10.682 287 HE1 HIS 38 HE1 HIS 38 4.150 4.071 -8.401 288 HE2 HIS 38 HE2 HIS 38 2.816 3.419 -10.418 289 HB2 HIS 38 HB2 HIS 38 3.331 -1.152 -8.939 290 HB3 HIS 38 HB1 HIS 38 4.239 -0.649 -7.520 291 H ILE 39 HN ILE 39 7.062 -1.589 -7.334 292 HA ILE 39 HA ILE 39 6.808 -4.495 -7.564 293 HB ILE 39 HB ILE 39 9.076 -3.432 -7.694 294 HG12 ILE 39 HG12 ILE 39 10.131 -4.997 -6.010 295 HG13 ILE 39 HG11 ILE 39 8.503 -5.365 -5.446 296 HG21 ILE 39 HG21 ILE 39 10.109 -2.612 -5.630 297 HG22 ILE 39 HG22 ILE 39 8.568 -2.802 -4.792 298 HG23 ILE 39 HG23 ILE 39 8.717 -1.630 -6.099 299 HD11 ILE 39 HD11 ILE 39 9.540 -5.832 -8.230 300 HD12 ILE 39 HD12 ILE 39 7.921 -6.219 -7.645 301 HD13 ILE 39 HD13 ILE 39 9.324 -7.057 -6.982 302 H PHE 40 HN PHE 40 6.493 -5.763 -5.704 303 HA PHE 40 HA PHE 40 4.783 -4.640 -3.705 304 HD1 PHE 40 HD1 PHE 40 7.340 -7.966 -2.755 305 HD2 PHE 40 HD2 PHE 40 5.018 -7.698 -6.313 306 HE1 PHE 40 HE1 PHE 40 8.864 -9.546 -3.865 307 HE2 PHE 40 HE2 PHE 40 6.537 -9.280 -7.429 308 HZ PHE 40 HZ PHE 40 8.462 -10.206 -6.205 309 HB2 PHE 40 HB2 PHE 40 5.036 -7.051 -2.754 310 HB3 PHE 40 HB1 PHE 40 4.180 -6.817 -4.274 311 H ILE 41 HN ILE 41 5.182 -4.474 -1.464 312 HA ILE 41 HA ILE 41 8.050 -4.419 -0.797 313 HB ILE 41 HB ILE 41 5.977 -2.426 0.127 314 HG12 ILE 41 HG12 ILE 41 8.280 -2.112 -1.819 315 HG13 ILE 41 HG11 ILE 41 6.578 -2.183 -2.261 316 HG21 ILE 41 HG21 ILE 41 8.955 -2.572 0.590 317 HG22 ILE 41 HG22 ILE 41 7.694 -2.808 1.801 318 HG23 ILE 41 HG23 ILE 41 7.918 -1.223 1.057 319 HD11 ILE 41 HD11 ILE 41 6.166 -0.123 -1.044 320 HD12 ILE 41 HD12 ILE 41 7.416 0.096 -2.270 321 HD13 ILE 41 HD13 ILE 41 7.863 -0.052 -0.570 322 H ASP 42 HN ASP 42 8.454 -5.950 0.599 323 HA ASP 42 HA ASP 42 6.490 -6.701 2.633 324 HB2 ASP 42 HB2 ASP 42 9.184 -7.957 2.044 325 HB3 ASP 42 HB1 ASP 42 7.905 -8.625 3.049 326 H MET 43 HN MET 43 6.582 -5.556 4.484 327 HA MET 43 HA MET 43 8.993 -4.183 5.253 328 HB2 MET 43 HB2 MET 43 6.412 -4.541 6.787 329 HB3 MET 43 HB1 MET 43 7.710 -3.433 7.208 330 HG2 MET 43 HG2 MET 43 5.965 -3.321 4.762 331 HG3 MET 43 HG1 MET 43 5.919 -2.237 6.150 332 HE1 MET 43 HE1 MET 43 6.071 -1.189 3.181 333 HE2 MET 43 HE2 MET 43 7.283 0.083 3.333 334 HE3 MET 43 HE3 MET 43 6.063 -0.127 4.591 335 H GLY 44 HN GLY 44 6.959 -6.516 7.004 336 HA2 GLY 44 HA2 GLY 44 7.483 -8.200 8.464 337 HA3 GLY 44 HA1 GLY 44 9.012 -8.331 7.605 338 H SER 45 HN SER 45 10.808 -7.772 8.634 339 HA SER 45 HA SER 45 10.553 -6.700 11.333 340 HG SER 45 HG SER 45 12.411 -8.542 8.959 341 HB2 SER 45 HB2 SER 45 12.989 -7.369 11.489 342 HB3 SER 45 HB1 SER 45 11.861 -8.693 11.197 343 H THR 46 HN THR 46 11.193 -5.550 8.249 344 HA THR 46 HA THR 46 12.736 -3.270 9.296 345 HB THR 46 HB THR 46 12.262 -3.980 6.394 346 HG1 THR 46 HG1 THR 46 13.577 -5.589 7.007 347 HG21 THR 46 HG21 THR 46 14.144 -2.458 6.001 348 HG22 THR 46 HG22 THR 46 14.240 -2.128 7.732 349 HG23 THR 46 HG23 THR 46 12.816 -1.633 6.817 350 H ASP 47 HN ASP 47 11.509 -1.604 9.849 351 HA ASP 47 HA ASP 47 8.732 -1.602 9.237 352 HB2 ASP 47 HB2 ASP 47 10.380 0.489 10.660 353 HB3 ASP 47 HB1 ASP 47 8.622 0.395 10.656 354 H GLU 48 HN GLU 48 11.441 0.420 8.140 355 HA GLU 48 HA GLU 48 9.492 1.928 6.528 356 HB2 GLU 48 HB2 GLU 48 11.074 3.792 6.532 357 HB3 GLU 48 HB1 GLU 48 10.622 3.333 8.162 358 HG2 GLU 48 HG2 GLU 48 12.734 2.179 8.450 359 HG3 GLU 48 HG1 GLU 48 13.183 2.553 6.786 360 H LYS 49 HN LYS 49 9.529 1.716 4.424 361 HA LYS 49 HA LYS 49 12.050 1.276 3.008 362 HB2 LYS 49 HB2 LYS 49 9.625 -0.514 2.767 363 HB3 LYS 49 HB1 LYS 49 10.886 -0.444 1.545 364 HG2 LYS 49 HG2 LYS 49 12.530 -1.199 3.165 365 HG3 LYS 49 HG1 LYS 49 11.289 -1.227 4.422 366 HD2 LYS 49 HD2 LYS 49 10.056 -2.930 3.188 367 HD3 LYS 49 HD1 LYS 49 11.250 -2.871 1.890 368 HE2 LYS 49 HE2 LYS 49 11.859 -3.638 4.743 369 HE3 LYS 49 HE1 LYS 49 11.542 -4.788 3.447 370 HZ1 LYS 49 HZ1 LYS 49 13.922 -4.428 3.856 371 HZ2 LYS 49 HZ2 LYS 49 13.750 -2.797 3.434 372 HZ3 LYS 49 HZ3 LYS 49 13.471 -4.003 2.279 373 H ILE 50 HN ILE 50 12.128 2.327 1.057 374 HA ILE 50 HA ILE 50 9.794 3.970 0.377 375 HB ILE 50 HB ILE 50 12.098 4.989 0.665 376 HG12 ILE 50 HG12 ILE 50 10.791 5.377 -2.035 377 HG13 ILE 50 HG11 ILE 50 10.267 6.135 -0.534 378 HG21 ILE 50 HG21 ILE 50 13.658 4.816 -1.219 379 HG22 ILE 50 HG22 ILE 50 12.610 3.613 -1.970 380 HG23 ILE 50 HG23 ILE 50 13.400 3.257 -0.435 381 HD11 ILE 50 HD11 ILE 50 12.916 6.559 -1.904 382 HD12 ILE 50 HD12 ILE 50 12.411 7.306 -0.389 383 HD13 ILE 50 HD13 ILE 50 11.554 7.681 -1.883 384 H CYS 51 HN CYS 51 9.246 4.255 -2.002 385 HA CYS 51 HA CYS 51 9.384 1.556 -3.214 386 HB2 CYS 51 HB2 CYS 51 7.118 2.384 -2.897 387 HB3 CYS 51 HB1 CYS 51 7.499 3.863 -3.768 388 HA PRO 52 HA PRO 52 12.584 3.188 -5.931 389 HB2 PRO 52 HB2 PRO 52 11.805 0.695 -7.376 390 HB3 PRO 52 HB1 PRO 52 13.414 1.289 -6.944 391 HG2 PRO 52 HG2 PRO 52 12.303 -0.698 -5.568 392 HG3 PRO 52 HG1 PRO 52 13.230 0.567 -4.740 393 HD2 PRO 52 HD2 PRO 52 10.275 0.175 -4.891 394 HD3 PRO 52 HD1 PRO 52 11.270 0.766 -3.546 395 H TYR 53 HN TYR 53 9.465 1.935 -6.932 396 HA TYR 53 HA TYR 53 9.427 3.874 -9.143 397 HD1 TYR 53 HD1 TYR 53 9.717 2.427 -11.702 398 HD2 TYR 53 HD2 TYR 53 9.317 -0.266 -8.430 399 HE1 TYR 53 HE1 TYR 53 11.487 1.012 -12.658 400 HE2 TYR 53 HE2 TYR 53 11.084 -1.687 -9.377 401 HH TYR 53 HH TYR 53 12.187 -2.149 -11.425 402 HB2 TYR 53 HB2 TYR 53 7.664 1.435 -8.806 403 HB3 TYR 53 HB1 TYR 53 7.747 2.493 -10.212 404 H CYS 54 HN CYS 54 8.973 5.503 -7.656 405 HA CYS 54 HA CYS 54 6.529 6.584 -7.440 406 HB2 CYS 54 HB2 CYS 54 6.882 4.581 -5.240 407 HB3 CYS 54 HB1 CYS 54 6.112 6.111 -4.857 408 H SER 55 HN SER 55 9.308 5.777 -5.401 409 HA SER 55 HA SER 55 10.326 6.855 -3.674 410 HG SER 55 HG SER 55 7.782 9.389 -4.846 411 HB2 SER 55 HB2 SER 55 10.002 9.162 -3.128 412 HB3 SER 55 HB1 SER 55 9.944 9.091 -4.885 413 H THR 56 HN THR 56 8.780 8.257 -1.591 414 HA THR 56 HA THR 56 6.846 8.308 -0.409 415 HB THR 56 HB THR 56 5.873 5.896 -1.958 416 HG1 THR 56 HG1 THR 56 6.277 8.364 -2.876 417 HG21 THR 56 HG21 THR 56 4.426 8.030 -0.387 418 HG22 THR 56 HG22 THR 56 4.721 6.376 0.152 419 HG23 THR 56 HG23 THR 56 3.676 6.678 -1.237 420 H LEU 57 HN LEU 57 8.642 7.777 0.936 421 HA LEU 57 HA LEU 57 9.406 5.185 1.630 422 HG LEU 57 HG LEU 57 11.635 5.589 2.622 423 HB2 LEU 57 HB2 LEU 57 10.299 7.636 2.249 424 HB3 LEU 57 HB1 LEU 57 9.399 7.298 3.712 425 HD11 LEU 57 HD11 LEU 57 12.926 6.464 4.503 426 HD12 LEU 57 HD12 LEU 57 11.580 7.522 4.934 427 HD13 LEU 57 HD13 LEU 57 12.429 7.752 3.404 428 HD21 LEU 57 HD21 LEU 57 10.134 5.449 5.237 429 HD22 LEU 57 HD22 LEU 57 11.520 4.456 4.779 430 HD23 LEU 57 HD23 LEU 57 9.999 4.303 3.901 431 H TYR 58 HN TYR 58 7.920 3.720 2.136 432 HA TYR 58 HA TYR 58 5.632 4.421 3.752 433 HD1 TYR 58 HD1 TYR 58 3.590 4.108 2.339 434 HD2 TYR 58 HD2 TYR 58 6.512 1.718 0.355 435 HE1 TYR 58 HE1 TYR 58 2.589 4.680 0.171 436 HE2 TYR 58 HE2 TYR 58 5.520 2.300 -1.817 437 HH TYR 58 HH TYR 58 3.201 4.788 -2.170 438 HB2 TYR 58 HB2 TYR 58 6.492 1.744 2.645 439 HB3 TYR 58 HB1 TYR 58 4.962 2.071 3.447 440 H ARG 59 HN ARG 59 5.890 4.620 5.849 441 HA ARG 59 HA ARG 59 7.846 2.881 7.189 442 HE ARG 59 HE ARG 59 7.231 7.038 9.224 443 HB2 ARG 59 HB2 ARG 59 6.505 5.334 8.335 444 HB3 ARG 59 HB1 ARG 59 7.871 4.457 9.004 445 HG2 ARG 59 HG2 ARG 59 9.071 5.094 6.818 446 HG3 ARG 59 HG1 ARG 59 7.786 6.291 6.648 447 HD2 ARG 59 HD2 ARG 59 9.801 6.034 8.866 448 HD3 ARG 59 HD1 ARG 59 9.604 7.368 7.731 449 HH11 ARG 59 HH11 ARG 59 10.539 8.141 9.598 450 HH12 ARG 59 HH12 ARG 59 10.156 9.220 10.918 451 HH21 ARG 59 HH21 ARG 59 6.735 8.432 10.948 452 HH22 ARG 59 HH22 ARG 59 7.999 9.385 11.676 453 H TYR 60 HN TYR 60 6.976 1.101 7.996 454 HA TYR 60 HA TYR 60 4.277 1.113 9.054 455 HD1 TYR 60 HD1 TYR 60 2.659 -0.920 8.919 456 HD2 TYR 60 HD2 TYR 60 6.115 -2.433 10.883 457 HE1 TYR 60 HE1 TYR 60 1.228 -2.268 10.388 458 HE2 TYR 60 HE2 TYR 60 4.687 -3.792 12.357 459 HH TYR 60 HH TYR 60 2.356 -3.752 13.203 460 HB2 TYR 60 HB2 TYR 60 5.044 -0.894 7.879 461 HB3 TYR 60 HB1 TYR 60 6.382 -1.070 9.011 462 H ASP 61 HN ASP 61 4.318 2.472 10.806 463 HA ASP 61 HA ASP 61 6.361 2.173 12.828 464 HB2 ASP 61 HB2 ASP 61 5.245 4.386 12.176 465 HB3 ASP 61 HB1 ASP 61 3.837 3.813 13.061 466 HA PRO 62 HA PRO 62 4.169 -1.118 14.901 467 HB2 PRO 62 HB2 PRO 62 5.553 -0.856 17.285 468 HB3 PRO 62 HB1 PRO 62 6.083 -1.811 15.900 469 HG2 PRO 62 HG2 PRO 62 6.902 0.935 16.734 470 HG3 PRO 62 HG1 PRO 62 7.883 -0.371 16.044 471 HD2 PRO 62 HD2 PRO 62 7.068 1.723 14.567 472 HD3 PRO 62 HD1 PRO 62 7.199 0.089 13.881 473 H SER 63 HN SER 63 4.267 2.190 15.824 474 HA SER 63 HA SER 63 2.434 1.915 18.044 475 HG SER 63 HG SER 63 5.059 3.854 17.004 476 HB2 SER 63 HB2 SER 63 3.047 4.475 16.575 477 HB3 SER 63 HB1 SER 63 2.588 4.264 18.266 478 H LEU 64 HN LEU 64 2.182 1.925 14.683 479 HA LEU 64 HA LEU 64 -0.455 3.136 14.581 480 HG LEU 64 HG LEU 64 2.056 4.103 13.151 481 HB2 LEU 64 HB2 LEU 64 1.270 1.867 12.451 482 HB3 LEU 64 HB1 LEU 64 -0.321 2.536 12.147 483 HD11 LEU 64 HD11 LEU 64 2.065 5.104 10.919 484 HD12 LEU 64 HD12 LEU 64 0.773 4.012 10.424 485 HD13 LEU 64 HD13 LEU 64 2.361 3.367 10.846 486 HD21 LEU 64 HD21 LEU 64 -0.075 5.014 13.916 487 HD22 LEU 64 HD22 LEU 64 -0.680 5.006 12.259 488 HD23 LEU 64 HD23 LEU 64 0.663 6.060 12.703 489 H SER 65 HN SER 65 -1.755 1.615 12.729 490 HA SER 65 HA SER 65 -1.963 -1.104 13.626 491 HG SER 65 HG SER 65 -4.752 -1.269 15.499 492 HB2 SER 65 HB2 SER 65 -3.093 0.050 15.478 493 HB3 SER 65 HB1 SER 65 -4.142 0.886 14.336 494 H TYR 66 HN TYR 66 -4.090 -2.050 12.610 495 HA TYR 66 HA TYR 66 -3.901 -1.681 9.818 496 HD1 TYR 66 HD1 TYR 66 -4.296 -4.025 8.331 497 HD2 TYR 66 HD2 TYR 66 -7.993 -2.955 10.143 498 HE1 TYR 66 HE1 TYR 66 -5.486 -4.683 6.279 499 HE2 TYR 66 HE2 TYR 66 -9.193 -3.609 8.100 500 HH TYR 66 HH TYR 66 -7.766 -5.404 5.614 501 HB2 TYR 66 HB2 TYR 66 -4.581 -3.807 10.838 502 HB3 TYR 66 HB1 TYR 66 -6.046 -3.059 11.460 503 H ASN 67 HN ASN 67 -5.849 -0.189 12.249 504 HA ASN 67 HA ASN 67 -7.696 0.942 10.293 505 HB2 ASN 67 HB2 ASN 67 -7.593 1.038 13.309 506 HB3 ASN 67 HB1 ASN 67 -8.754 1.964 12.363 507 HD21 ASN 67 HD21 ASN 67 -10.432 0.928 11.352 508 HD22 ASN 67 HD22 ASN 67 -10.833 -0.732 11.661 509 H GLN 68 HN GLN 68 -4.679 1.692 11.143 510 HA GLN 68 HA GLN 68 -5.189 4.587 11.090 511 HB2 GLN 68 HB2 GLN 68 -3.511 3.007 12.934 512 HB3 GLN 68 HB1 GLN 68 -2.751 4.455 12.292 513 HG2 GLN 68 HG2 GLN 68 -3.739 5.093 14.320 514 HG3 GLN 68 HG1 GLN 68 -4.792 5.723 13.057 515 HE21 GLN 68 HE21 GLN 68 -4.700 2.368 14.061 516 HE22 GLN 68 HE22 GLN 68 -6.276 2.337 14.768 517 H THR 69 HN THR 69 -3.926 5.819 9.784 518 HA THR 69 HA THR 69 -1.722 4.517 8.369 519 HB THR 69 HB THR 69 -3.664 4.503 6.853 520 HG1 THR 69 HG1 THR 69 -1.540 4.844 5.985 521 HG21 THR 69 HG21 THR 69 -3.623 7.509 7.146 522 HG22 THR 69 HG22 THR 69 -4.899 6.423 7.697 523 HG23 THR 69 HG23 THR 69 -4.585 6.608 5.970 524 H ASN 70 HN ASN 70 -1.470 7.075 6.786 525 HA ASN 70 HA ASN 70 0.048 8.489 8.859 526 HB2 ASN 70 HB2 ASN 70 1.490 9.242 7.136 527 HB3 ASN 70 HB1 ASN 70 1.142 7.563 6.733 528 HD21 ASN 70 HD21 ASN 70 -0.385 7.135 5.066 529 HD22 ASN 70 HD22 ASN 70 -0.673 8.305 3.823 530 HA PRO 71 HA PRO 71 -2.521 12.021 8.358 531 HB2 PRO 71 HB2 PRO 71 -0.823 13.988 9.151 532 HB3 PRO 71 HB1 PRO 71 -1.473 12.770 10.250 533 HG2 PRO 71 HG2 PRO 71 1.255 13.094 9.257 534 HG3 PRO 71 HG1 PRO 71 0.664 12.108 10.602 535 HD2 PRO 71 HD2 PRO 71 1.325 11.287 7.887 536 HD3 PRO 71 HD1 PRO 71 0.939 10.278 9.294 537 H THR 72 HN THR 72 -3.118 12.486 6.326 538 HA THR 72 HA THR 72 -1.976 14.700 4.945 539 HB THR 72 HB THR 72 -1.790 13.286 2.746 540 HG1 THR 72 HG1 THR 72 -0.715 11.257 4.328 541 HG21 THR 72 HG21 THR 72 0.093 14.534 3.625 542 HG22 THR 72 HG22 THR 72 0.629 12.945 3.080 543 HG23 THR 72 HG23 THR 72 0.423 13.263 4.802 544 H GLY 73 HN GLY 73 -3.686 11.726 4.130 545 HA2 GLY 73 HA2 GLY 73 -6.225 11.994 4.029 546 HA3 GLY 73 HA1 GLY 73 -5.850 13.316 2.925 547 H CYS 74 HN CYS 74 -4.643 10.011 3.370 548 HA CYS 74 HA CYS 74 -4.235 9.694 0.547 549 HG CYS 74 HG CYS 74 -2.120 10.270 2.498 550 HB2 CYS 74 HB2 CYS 74 -3.872 7.792 2.867 551 HB3 CYS 74 HB1 CYS 74 -3.406 7.431 1.210 552 H LEU 75 HN LEU 75 -4.781 6.804 0.645 553 HA LEU 75 HA LEU 75 -6.359 5.315 0.012 554 HG LEU 75 HG LEU 75 -6.491 5.515 2.556 555 HB2 LEU 75 HB2 LEU 75 -8.232 7.251 1.359 556 HB3 LEU 75 HB1 LEU 75 -8.737 5.711 0.686 557 HD11 LEU 75 HD11 LEU 75 -7.779 7.355 3.563 558 HD12 LEU 75 HD12 LEU 75 -7.814 5.884 4.538 559 HD13 LEU 75 HD13 LEU 75 -9.213 6.326 3.557 560 HD21 LEU 75 HD21 LEU 75 -9.166 4.155 2.295 561 HD22 LEU 75 HD22 LEU 75 -7.858 3.649 3.367 562 HD23 LEU 75 HD23 LEU 75 -7.638 3.591 1.617 563 H TYR 76 HN TYR 76 -6.553 5.146 -2.115 564 HA TYR 76 HA TYR 76 -7.428 7.429 -3.662 565 HD1 TYR 76 HD1 TYR 76 -6.162 8.148 -5.906 566 HD2 TYR 76 HD2 TYR 76 -7.761 4.260 -6.558 567 HE1 TYR 76 HE1 TYR 76 -6.821 8.808 -8.179 568 HE2 TYR 76 HE2 TYR 76 -8.424 4.908 -8.837 569 HH TYR 76 HH TYR 76 -8.922 6.931 -10.112 570 HB2 TYR 76 HB2 TYR 76 -5.521 6.115 -4.481 571 HB3 TYR 76 HB1 TYR 76 -6.547 4.688 -4.593 572 H ASN 77 HN ASN 77 -9.510 7.775 -3.708 573 HA ASN 77 HA ASN 77 -11.323 5.527 -4.236 574 HB2 ASN 77 HB2 ASN 77 -13.132 7.154 -3.571 575 HB3 ASN 77 HB1 ASN 77 -12.025 6.722 -2.276 576 HD21 ASN 77 HD21 ASN 77 -10.590 8.259 -1.487 577 HD22 ASN 77 HD22 ASN 77 -10.778 9.947 -1.826 578 HA PRO 78 HA PRO 78 -12.048 6.864 -8.352 579 HB2 PRO 78 HB2 PRO 78 -14.962 6.659 -8.083 580 HB3 PRO 78 HB1 PRO 78 -13.851 5.660 -9.022 581 HG2 PRO 78 HG2 PRO 78 -15.085 4.732 -6.817 582 HG3 PRO 78 HG1 PRO 78 -13.446 4.222 -7.266 583 HD2 PRO 78 HD2 PRO 78 -14.309 6.242 -5.225 584 HD3 PRO 78 HD1 PRO 78 -13.050 4.995 -5.110 585 H LYS 79 HN LYS 79 -11.637 9.117 -6.951 586 HA LYS 79 HA LYS 79 -11.783 11.363 -7.217 587 HB2 LYS 79 HB2 LYS 79 -13.541 10.440 -9.419 588 HB3 LYS 79 HB1 LYS 79 -13.736 12.108 -8.905 589 HG2 LYS 79 HG2 LYS 79 -12.190 11.863 -10.795 590 HG3 LYS 79 HG1 LYS 79 -11.421 12.573 -9.379 591 HD2 LYS 79 HD2 LYS 79 -10.393 10.445 -8.836 592 HD3 LYS 79 HD1 LYS 79 -11.228 9.672 -10.185 593 HE2 LYS 79 HE2 LYS 79 -10.010 10.979 -11.776 594 HE3 LYS 79 HE1 LYS 79 -9.321 11.980 -10.501 595 HZ1 LYS 79 HZ1 LYS 79 -7.784 10.284 -11.388 596 HZ2 LYS 79 HZ2 LYS 79 -8.802 9.071 -10.787 597 HZ3 LYS 79 HZ3 LYS 79 -8.042 10.147 -9.719 598 H LEU 80 HN LEU 80 -15.174 10.304 -7.546 599 HA LEU 80 HA LEU 80 -15.802 12.086 -5.287 600 HG LEU 80 HG LEU 80 -15.884 13.031 -8.253 601 HB2 LEU 80 HB2 LEU 80 -17.547 11.310 -7.625 602 HB3 LEU 80 HB1 LEU 80 -18.053 12.309 -6.276 603 HD11 LEU 80 HD11 LEU 80 -18.070 13.036 -9.301 604 HD12 LEU 80 HD12 LEU 80 -17.494 14.687 -9.072 605 HD13 LEU 80 HD13 LEU 80 -18.715 14.022 -7.988 606 HD21 LEU 80 HD21 LEU 80 -16.015 15.250 -7.211 607 HD22 LEU 80 HD22 LEU 80 -15.503 14.015 -6.062 608 HD23 LEU 80 HD23 LEU 80 -17.159 14.618 -6.026 609 H GLU 81 HN GLU 81 -16.072 10.888 -3.530 610 HA GLU 81 HA GLU 81 -17.161 8.207 -3.663 611 HB2 GLU 81 HB2 GLU 81 -16.771 8.153 -1.256 612 HB3 GLU 81 HB1 GLU 81 -15.343 8.764 -2.084 613 HG2 GLU 81 HG2 GLU 81 -15.849 11.008 -1.450 614 HG3 GLU 81 HG1 GLU 81 -17.419 10.528 -0.809 615 H HIS 82 HN HIS 82 -18.431 11.264 -3.592 616 HA HIS 82 HA HIS 82 -20.995 10.359 -2.544 617 HD1 HIS 82 HD1 HIS 82 -20.972 14.675 -1.335 618 HD2 HIS 82 HD2 HIS 82 -22.815 11.138 -0.153 619 HE1 HIS 82 HE1 HIS 82 -23.212 15.350 -0.415 620 HE2 HIS 82 HE2 HIS 82 -24.223 13.221 0.472 621 HB2 HIS 82 HB2 HIS 82 -19.917 11.283 -0.583 622 HB3 HIS 82 HB1 HIS 82 -19.435 12.722 -1.468 623 H HIS 83 HN HIS 83 -22.705 11.283 -3.585 624 HA HIS 83 HA HIS 83 -22.150 13.600 -5.321 625 HD1 HIS 83 HD1 HIS 83 -21.587 13.049 -8.219 626 HD2 HIS 83 HD2 HIS 83 -22.061 9.346 -6.384 627 HE1 HIS 83 HE1 HIS 83 -19.864 11.543 -9.266 628 HE2 HIS 83 HE2 HIS 83 -20.076 9.349 -8.043 629 HB2 HIS 83 HB2 HIS 83 -23.979 11.258 -5.927 630 HB3 HIS 83 HB1 HIS 83 -23.852 12.714 -6.905 631 H HIS 84 HN HIS 84 -24.359 14.621 -5.980 632 HA HIS 84 HA HIS 84 -25.778 15.180 -3.503 633 HD1 HIS 84 HD1 HIS 84 -26.030 18.888 -3.733 634 HD2 HIS 84 HD2 HIS 84 -23.065 16.695 -5.660 635 HE1 HIS 84 HE1 HIS 84 -23.894 20.161 -3.366 636 HE2 HIS 84 HE2 HIS 84 -22.089 18.736 -4.400 637 HB2 HIS 84 HB2 HIS 84 -26.011 16.393 -6.272 638 HB3 HIS 84 HB1 HIS 84 -26.960 16.909 -4.884 639 H HIS 85 HN HIS 85 -27.651 14.265 -2.967 640 HA HIS 85 HA HIS 85 -28.936 12.500 -4.895 641 HD1 HIS 85 HD1 HIS 85 -27.697 11.445 -0.740 642 HD2 HIS 85 HD2 HIS 85 -28.654 9.959 -4.506 643 HE1 HIS 85 HE1 HIS 85 -26.356 9.332 -0.997 644 HE2 HIS 85 HE2 HIS 85 -26.862 8.509 -3.330 645 HB2 HIS 85 HB2 HIS 85 -29.286 12.914 -1.931 646 HB3 HIS 85 HB1 HIS 85 -30.409 11.938 -2.871 647 H HIS 86 HN HIS 86 -29.273 15.638 -3.679 648 HA HIS 86 HA HIS 86 -31.766 15.893 -5.204 649 HD1 HIS 86 HD1 HIS 86 -30.592 15.960 -0.916 650 HD2 HIS 86 HD2 HIS 86 -31.104 19.638 -2.797 651 HE1 HIS 86 HE1 HIS 86 -29.359 17.631 0.504 652 HE2 HIS 86 HE2 HIS 86 -29.526 19.810 -0.755 653 HB2 HIS 86 HB2 HIS 86 -32.707 17.445 -3.585 654 HB3 HIS 86 HB1 HIS 86 -32.340 15.925 -2.783 655 H HIS 87 HN HIS 87 -31.928 17.760 -6.415 656 HA HIS 87 HA HIS 87 -29.445 19.197 -6.788 657 HD1 HIS 87 HD1 HIS 87 -32.959 17.447 -8.624 658 HD2 HIS 87 HD2 HIS 87 -33.089 21.593 -8.308 659 HE1 HIS 87 HE1 HIS 87 -35.376 18.073 -8.897 660 HE2 HIS 87 HE2 HIS 87 -35.399 20.588 -8.916 661 HB2 HIS 87 HB2 HIS 87 -30.599 20.330 -8.665 662 HB3 HIS 87 HB1 HIS 87 -30.655 18.579 -8.794
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