NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
537492 | 2ll4 | 17667 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H CYS 10 HT1 CYS 10 1.003 3.173 -14.752 2 HA CYS 10 HA CYS 10 -0.519 3.047 -12.879 3 HB2 CYS 10 HB2 CYS 10 -0.857 0.170 -13.758 4 HB3 CYS 10 HB1 CYS 10 -1.560 0.913 -12.328 5 H VAL 11 HN VAL 11 0.406 2.551 -10.927 6 HA VAL 11 HA VAL 11 3.079 1.381 -11.086 7 HB VAL 11 HB VAL 11 1.879 2.584 -8.597 8 HG11 VAL 11 HG11 VAL 11 4.184 3.090 -8.053 9 HG12 VAL 11 HG12 VAL 11 4.714 2.489 -9.625 10 HG13 VAL 11 HG13 VAL 11 4.020 1.378 -8.443 11 HG21 VAL 11 HG21 VAL 11 3.187 4.105 -10.850 12 HG22 VAL 11 HG22 VAL 11 2.787 4.768 -9.266 13 HG23 VAL 11 HG23 VAL 11 1.502 4.225 -10.344 14 H HIS 12 HN HIS 12 3.671 -0.463 -9.962 15 HA HIS 12 HA HIS 12 1.765 -1.736 -8.180 16 HB2 HIS 12 HB2 HIS 12 2.203 -2.593 -10.956 17 HB3 HIS 12 HB1 HIS 12 2.382 -3.880 -9.771 18 HD1 HIS 12 HD1 HIS 12 0.260 -4.427 -8.312 19 HD2 HIS 12 HD2 HIS 12 -0.376 -1.801 -11.463 20 HE1 HIS 12 HE1 HIS 12 -2.232 -4.343 -8.626 21 HE2 HIS 12 HE2 HIS 12 -2.545 -3.009 -10.745 22 H THR 13 HN THR 13 4.484 -2.895 -10.132 23 HA THR 13 HA THR 13 5.737 -3.914 -7.696 24 HB THR 13 HB THR 13 6.682 -4.426 -10.507 25 HG1 THR 13 HG1 THR 13 4.351 -5.254 -9.278 26 HG21 THR 13 HG21 THR 13 7.436 -6.555 -9.506 27 HG22 THR 13 HG22 THR 13 6.836 -6.011 -7.938 28 HG23 THR 13 HG23 THR 13 8.164 -5.154 -8.722 29 H GLY 14 HN GLY 14 7.267 -2.768 -6.755 30 HA2 GLY 14 HA2 GLY 14 9.499 -1.717 -8.101 31 HA3 GLY 14 HA1 GLY 14 8.368 -0.412 -7.765 32 H ASN 15 HN ASN 15 10.452 0.177 -6.555 33 HA ASN 15 HA ASN 15 10.314 -0.930 -3.826 34 HB2 ASN 15 HB2 ASN 15 12.654 -0.163 -3.543 35 HB3 ASN 15 HB1 ASN 15 12.500 -1.332 -4.848 36 HD21 ASN 15 HD21 ASN 15 12.831 -0.683 -6.958 37 HD22 ASN 15 HD22 ASN 15 13.541 0.845 -7.364 38 H ILE 16 HN ILE 16 8.471 0.929 -4.612 39 HA ILE 16 HA ILE 16 9.392 3.392 -3.297 40 HB ILE 16 HB ILE 16 7.134 4.126 -4.721 41 HG12 ILE 16 HG12 ILE 16 8.011 3.493 -7.105 42 HG13 ILE 16 HG11 ILE 16 8.761 2.137 -6.273 43 HG21 ILE 16 HG21 ILE 16 8.678 5.475 -6.026 44 HG22 ILE 16 HG22 ILE 16 10.024 4.473 -5.488 45 HG23 ILE 16 HG23 ILE 16 9.138 5.460 -4.324 46 HD11 ILE 16 HD11 ILE 16 5.821 2.780 -6.297 47 HD12 ILE 16 HD12 ILE 16 6.572 1.413 -5.473 48 HD13 ILE 16 HD13 ILE 16 6.618 1.517 -7.234 49 H GLY 17 HN GLY 17 8.607 3.474 -1.336 50 HA2 GLY 17 HA2 GLY 17 5.985 2.305 -0.753 51 HA3 GLY 17 HA1 GLY 17 7.169 2.849 0.432 52 H SER 18 HN SER 18 4.371 3.529 0.398 53 HA SER 18 HA SER 18 4.505 6.371 -0.317 54 HB2 SER 18 HB2 SER 18 2.105 4.601 0.166 55 HB3 SER 18 HB1 SER 18 2.030 6.321 -0.213 56 HG SER 18 HG SER 18 3.166 4.297 -1.862 57 H LYS 19 HN LYS 19 5.176 7.533 1.357 58 HA LYS 19 HA LYS 19 4.538 6.795 4.077 59 HB2 LYS 19 HB2 LYS 19 6.715 7.884 3.287 60 HB3 LYS 19 HB1 LYS 19 5.800 9.378 3.161 61 HG2 LYS 19 HG2 LYS 19 5.365 9.394 5.509 62 HG3 LYS 19 HG1 LYS 19 6.040 7.774 5.695 63 HD2 LYS 19 HD2 LYS 19 7.727 9.245 6.436 64 HD3 LYS 19 HD1 LYS 19 8.218 8.742 4.819 65 HE2 LYS 19 HE2 LYS 19 8.591 11.072 4.922 66 HE3 LYS 19 HE1 LYS 19 7.126 10.852 3.964 67 HZ1 LYS 19 HZ1 LYS 19 5.864 11.282 6.050 68 HZ2 LYS 19 HZ2 LYS 19 6.736 12.608 5.478 69 HZ3 LYS 19 HZ3 LYS 19 7.319 11.720 6.792 70 H ALA 20 HN ALA 20 2.189 6.936 3.176 71 HA ALA 20 HA ALA 20 1.145 9.627 3.764 72 HB1 ALA 20 HB1 ALA 20 -0.896 8.731 2.426 73 HB2 ALA 20 HB2 ALA 20 0.267 7.579 1.767 74 HB3 ALA 20 HB3 ALA 20 0.524 9.310 1.559 75 H GLN 21 HN GLN 21 -1.095 9.571 4.661 76 HA GLN 21 HA GLN 21 -1.128 7.966 6.998 77 HB2 GLN 21 HB2 GLN 21 -2.054 10.288 6.794 78 HB3 GLN 21 HB1 GLN 21 -3.386 9.618 5.863 79 HG2 GLN 21 HG2 GLN 21 -3.584 8.052 7.992 80 HG3 GLN 21 HG1 GLN 21 -2.813 9.438 8.761 81 HE21 GLN 21 HE21 GLN 21 -3.888 11.432 8.766 82 HE22 GLN 21 HE22 GLN 21 -5.596 11.537 8.526 83 H THR 22 HN THR 22 -2.087 6.084 7.404 84 HA THR 22 HA THR 22 -3.451 4.685 5.267 85 HB THR 22 HB THR 22 -2.901 3.709 8.082 86 HG1 THR 22 HG1 THR 22 -0.880 3.946 7.407 87 HG21 THR 22 HG21 THR 22 -4.520 2.362 6.835 88 HG22 THR 22 HG22 THR 22 -3.005 1.481 7.037 89 HG23 THR 22 HG23 THR 22 -3.390 2.231 5.488 90 H ILE 23 HN ILE 23 -5.592 3.971 5.353 91 HA ILE 23 HA ILE 23 -7.451 5.705 6.546 92 HB ILE 23 HB ILE 23 -7.878 2.939 5.408 93 HG12 ILE 23 HG12 ILE 23 -8.346 5.640 4.134 94 HG13 ILE 23 HG11 ILE 23 -6.878 4.697 3.900 95 HG21 ILE 23 HG21 ILE 23 -9.738 3.556 6.834 96 HG22 ILE 23 HG22 ILE 23 -10.226 3.637 5.142 97 HG23 ILE 23 HG23 ILE 23 -9.869 5.120 6.027 98 HD11 ILE 23 HD11 ILE 23 -8.157 2.919 2.881 99 HD12 ILE 23 HD12 ILE 23 -8.453 4.450 2.056 100 HD13 ILE 23 HD13 ILE 23 -9.655 3.804 3.174 101 H GLY 24 HN GLY 24 -6.629 2.330 7.387 102 HA2 GLY 24 HA2 GLY 24 -7.600 2.925 10.104 103 HA3 GLY 24 HA1 GLY 24 -8.115 1.460 9.281 104 H GLU 25 HN GLU 25 -7.222 0.077 10.762 105 HA GLU 25 HA GLU 25 -4.514 0.239 11.631 106 HB2 GLU 25 HB2 GLU 25 -6.348 -0.908 12.892 107 HB3 GLU 25 HB1 GLU 25 -6.348 -2.166 11.662 108 HG2 GLU 25 HG2 GLU 25 -3.769 -2.238 12.294 109 HG3 GLU 25 HG1 GLU 25 -4.394 -1.610 13.816 110 H VAL 26 HN VAL 26 -2.720 -0.737 10.853 111 HA VAL 26 HA VAL 26 -2.797 -1.679 8.138 112 HB VAL 26 HB VAL 26 -0.482 -1.486 10.072 113 HG11 VAL 26 HG11 VAL 26 -0.508 -1.986 7.097 114 HG12 VAL 26 HG12 VAL 26 -0.008 -3.121 8.351 115 HG13 VAL 26 HG13 VAL 26 0.933 -1.658 8.061 116 HG21 VAL 26 HG21 VAL 26 -1.243 0.339 7.796 117 HG22 VAL 26 HG22 VAL 26 0.099 0.550 8.923 118 HG23 VAL 26 HG23 VAL 26 -1.564 0.667 9.498 119 H LYS 27 HN LYS 27 -3.703 -3.651 7.940 120 HA LYS 27 HA LYS 27 -2.762 -5.792 9.713 121 HB2 LYS 27 HB2 LYS 27 -5.105 -5.907 7.808 122 HB3 LYS 27 HB1 LYS 27 -4.727 -7.030 9.107 123 HG2 LYS 27 HG2 LYS 27 -5.001 -4.976 10.652 124 HG3 LYS 27 HG1 LYS 27 -5.838 -4.258 9.273 125 HD2 LYS 27 HD2 LYS 27 -7.543 -5.236 10.550 126 HD3 LYS 27 HD1 LYS 27 -7.247 -6.399 9.256 127 HE2 LYS 27 HE2 LYS 27 -7.395 -7.688 11.213 128 HE3 LYS 27 HE1 LYS 27 -5.670 -7.559 10.880 129 HZ1 LYS 27 HZ1 LYS 27 -5.593 -5.707 12.500 130 HZ2 LYS 27 HZ2 LYS 27 -6.035 -7.192 13.190 131 HZ3 LYS 27 HZ3 LYS 27 -7.210 -6.019 12.885 132 H ARG 28 HN ARG 28 -2.201 -7.857 8.760 133 HA ARG 28 HA ARG 28 -0.681 -7.479 6.336 134 HB2 ARG 28 HB2 ARG 28 0.187 -9.726 6.746 135 HB3 ARG 28 HB1 ARG 28 0.312 -8.723 8.185 136 HG2 ARG 28 HG2 ARG 28 -1.656 -9.804 9.121 137 HG3 ARG 28 HG1 ARG 28 -1.805 -10.795 7.669 138 HD2 ARG 28 HD2 ARG 28 0.183 -11.954 8.121 139 HD3 ARG 28 HD1 ARG 28 0.698 -10.765 9.316 140 HE ARG 28 HE ARG 28 -1.657 -12.469 9.783 141 HH11 ARG 28 HH11 ARG 28 1.509 -11.262 10.715 142 HH12 ARG 28 HH12 ARG 28 1.454 -12.041 12.340 143 HH21 ARG 28 HH21 ARG 28 -1.784 -13.458 11.829 144 HH22 ARG 28 HH22 ARG 28 -0.395 -13.281 12.967 145 H ALA 29 HN ALA 29 -0.774 -8.971 4.538 146 HA ALA 29 HA ALA 29 -3.438 -10.139 4.122 147 HB1 ALA 29 HB1 ALA 29 -2.030 -8.629 1.944 148 HB2 ALA 29 HB2 ALA 29 -3.144 -7.837 3.058 149 HB3 ALA 29 HB3 ALA 29 -3.715 -9.142 2.020 150 H SER 30 HN SER 30 -3.507 -11.909 2.751 151 HA SER 30 HA SER 30 -1.379 -13.674 2.814 152 HB2 SER 30 HB2 SER 30 -3.305 -14.048 0.607 153 HB3 SER 30 HB1 SER 30 -2.865 -15.139 1.920 154 HG SER 30 HG SER 30 -5.035 -13.622 1.720 155 H SER 31 HN SER 31 -2.228 -11.338 0.324 156 HA SER 31 HA SER 31 0.355 -11.656 -0.894 157 HB2 SER 31 HB2 SER 31 -0.586 -12.175 -3.150 158 HB3 SER 31 HB1 SER 31 -0.800 -13.481 -1.988 159 HG SER 31 HG SER 31 -2.701 -12.992 -3.233 160 H LEU 32 HN LEU 32 0.187 -10.306 -3.157 161 HA LEU 32 HA LEU 32 -0.350 -7.633 -2.357 162 HB2 LEU 32 HB2 LEU 32 1.424 -8.215 -3.959 163 HB3 LEU 32 HB1 LEU 32 0.213 -8.754 -5.106 164 HG LEU 32 HG LEU 32 -0.297 -6.023 -4.289 165 HD11 LEU 32 HD11 LEU 32 2.117 -5.942 -3.928 166 HD12 LEU 32 HD12 LEU 32 1.645 -4.987 -5.334 167 HD13 LEU 32 HD13 LEU 32 2.386 -6.574 -5.551 168 HD21 LEU 32 HD21 LEU 32 -0.297 -5.671 -6.711 169 HD22 LEU 32 HD22 LEU 32 -1.247 -7.088 -6.268 170 HD23 LEU 32 HD23 LEU 32 0.367 -7.288 -6.947 171 H SER 33 HN SER 33 -1.986 -9.938 -4.486 172 HA SER 33 HA SER 33 -4.015 -8.211 -5.386 173 HB2 SER 33 HB2 SER 33 -4.177 -11.210 -4.992 174 HB3 SER 33 HB1 SER 33 -5.183 -10.234 -6.063 175 HG SER 33 HG SER 33 -3.625 -11.007 -7.369 176 H GLU 34 HN GLU 34 -3.595 -10.096 -2.481 177 HA GLU 34 HA GLU 34 -6.223 -9.943 -1.472 178 HB2 GLU 34 HB2 GLU 34 -4.266 -11.388 -0.664 179 HB3 GLU 34 HB1 GLU 34 -3.720 -9.965 0.207 180 HG2 GLU 34 HG2 GLU 34 -4.922 -11.259 1.750 181 HG3 GLU 34 HG1 GLU 34 -5.982 -9.920 1.312 182 H CYS 35 HN CYS 35 -3.442 -7.821 -1.312 183 HA CYS 35 HA CYS 35 -4.591 -5.936 0.492 184 HB2 CYS 35 HB2 CYS 35 -2.104 -6.270 -0.044 185 HB3 CYS 35 HB1 CYS 35 -2.412 -5.353 -1.514 186 H ARG 36 HN ARG 36 -4.470 -6.337 -2.994 187 HA ARG 36 HA ARG 36 -5.551 -3.835 -3.716 188 HB2 ARG 36 HB2 ARG 36 -4.435 -5.437 -5.293 189 HB3 ARG 36 HB1 ARG 36 -5.860 -6.463 -5.189 190 HG2 ARG 36 HG2 ARG 36 -7.038 -4.158 -5.874 191 HG3 ARG 36 HG1 ARG 36 -5.456 -3.910 -6.618 192 HD2 ARG 36 HD2 ARG 36 -7.057 -6.420 -7.029 193 HD3 ARG 36 HD1 ARG 36 -7.265 -4.996 -8.046 194 HE ARG 36 HE ARG 36 -4.798 -6.595 -7.834 195 HH11 ARG 36 HH11 ARG 36 -6.926 -4.402 -9.587 196 HH12 ARG 36 HH12 ARG 36 -5.892 -4.410 -11.073 197 HH21 ARG 36 HH21 ARG 36 -3.480 -6.647 -9.704 198 HH22 ARG 36 HH22 ARG 36 -3.979 -5.664 -11.136 199 H ALA 37 HN ALA 37 -7.005 -6.967 -2.984 200 HA ALA 37 HA ALA 37 -9.678 -6.304 -3.536 201 HB1 ALA 37 HB1 ALA 37 -10.259 -8.228 -2.153 202 HB2 ALA 37 HB2 ALA 37 -8.615 -8.283 -1.520 203 HB3 ALA 37 HB3 ALA 37 -8.916 -8.609 -3.226 204 H ARG 38 HN ARG 38 -7.697 -5.921 -0.646 205 HA ARG 38 HA ARG 38 -9.791 -5.037 1.058 206 HB2 ARG 38 HB2 ARG 38 -7.022 -5.559 1.293 207 HB3 ARG 38 HB1 ARG 38 -7.259 -3.891 1.794 208 HG2 ARG 38 HG2 ARG 38 -8.833 -6.210 2.890 209 HG3 ARG 38 HG1 ARG 38 -7.371 -5.565 3.637 210 HD2 ARG 38 HD2 ARG 38 -8.499 -3.343 3.768 211 HD3 ARG 38 HD1 ARG 38 -9.974 -4.109 3.183 212 HE ARG 38 HE ARG 38 -9.528 -5.620 5.268 213 HH11 ARG 38 HH11 ARG 38 -9.297 -2.121 4.938 214 HH12 ARG 38 HH12 ARG 38 -9.507 -1.836 6.714 215 HH21 ARG 38 HH21 ARG 38 -9.851 -5.294 7.506 216 HH22 ARG 38 HH22 ARG 38 -9.823 -3.609 8.151 217 H CYS 39 HN CYS 39 -7.448 -3.399 -1.012 218 HA CYS 39 HA CYS 39 -8.204 -0.763 -0.319 219 HB2 CYS 39 HB2 CYS 39 -6.062 -1.414 -1.453 220 HB3 CYS 39 HB1 CYS 39 -6.982 -1.686 -2.927 221 H GLN 40 HN GLN 40 -9.640 -3.158 -2.314 222 HA GLN 40 HA GLN 40 -11.232 -1.310 -3.858 223 HB2 GLN 40 HB2 GLN 40 -11.052 -4.291 -3.640 224 HB3 GLN 40 HB1 GLN 40 -12.484 -3.571 -4.363 225 HG2 GLN 40 HG2 GLN 40 -9.642 -3.187 -5.288 226 HG3 GLN 40 HG1 GLN 40 -10.874 -4.182 -6.066 227 HE21 GLN 40 HE21 GLN 40 -9.761 -0.946 -5.467 228 HE22 GLN 40 HE22 GLN 40 -10.807 -0.163 -6.597 229 H ALA 41 HN ALA 41 -11.418 -2.995 -0.862 230 HA ALA 41 HA ALA 41 -14.260 -2.751 -0.539 231 HB1 ALA 41 HB1 ALA 41 -12.128 -3.304 1.528 232 HB2 ALA 41 HB2 ALA 41 -12.995 -4.524 0.595 233 HB3 ALA 41 HB3 ALA 41 -13.867 -3.511 1.742 234 H GLU 42 HN GLU 42 -11.390 -0.974 0.440 235 HA GLU 42 HA GLU 42 -12.884 0.974 1.949 236 HB2 GLU 42 HB2 GLU 42 -10.045 0.428 1.372 237 HB3 GLU 42 HB1 GLU 42 -10.452 2.128 1.553 238 HG2 GLU 42 HG2 GLU 42 -9.750 1.311 3.668 239 HG3 GLU 42 HG1 GLU 42 -11.491 1.580 3.741 240 H LYS 43 HN LYS 43 -13.966 2.584 1.063 241 HA LYS 43 HA LYS 43 -13.795 3.167 -1.726 242 HB2 LYS 43 HB2 LYS 43 -15.317 4.434 0.545 243 HB3 LYS 43 HB1 LYS 43 -15.428 5.015 -1.111 244 HG2 LYS 43 HG2 LYS 43 -16.406 3.000 -1.857 245 HG3 LYS 43 HG1 LYS 43 -16.003 2.163 -0.358 246 HD2 LYS 43 HD2 LYS 43 -17.681 3.221 0.833 247 HD3 LYS 43 HD1 LYS 43 -17.764 4.577 -0.291 248 HE2 LYS 43 HE2 LYS 43 -19.726 3.311 -0.643 249 HE3 LYS 43 HE1 LYS 43 -18.660 2.949 -1.995 250 HZ1 LYS 43 HZ1 LYS 43 -19.627 0.931 -1.206 251 HZ2 LYS 43 HZ2 LYS 43 -19.155 1.249 0.384 252 HZ3 LYS 43 HZ3 LYS 43 -17.989 0.909 -0.790 253 H GLU 44 HN GLU 44 -12.243 4.415 1.069 254 HA GLU 44 HA GLU 44 -11.485 6.893 -0.267 255 HB2 GLU 44 HB2 GLU 44 -11.006 5.827 2.509 256 HB3 GLU 44 HB1 GLU 44 -10.263 7.310 1.922 257 HG2 GLU 44 HG2 GLU 44 -12.400 8.331 1.612 258 HG3 GLU 44 HG1 GLU 44 -13.227 6.819 1.985 259 H CYS 45 HN CYS 45 -10.343 3.748 -0.076 260 HA CYS 45 HA CYS 45 -7.534 4.292 0.016 261 HB2 CYS 45 HB2 CYS 45 -8.527 2.080 0.630 262 HB3 CYS 45 HB1 CYS 45 -8.916 1.830 -1.068 263 H SER 46 HN SER 46 -6.733 5.589 -1.521 264 HA SER 46 HA SER 46 -7.623 5.238 -4.284 265 HB2 SER 46 HB2 SER 46 -5.616 7.279 -3.381 266 HB3 SER 46 HB1 SER 46 -6.776 7.375 -4.706 267 HG SER 46 HG SER 46 -8.159 7.031 -2.479 268 H HIS 47 HN HIS 47 -5.141 4.259 -2.227 269 HA HIS 47 HA HIS 47 -3.776 2.837 -4.270 270 HB2 HIS 47 HB2 HIS 47 -1.502 4.017 -3.517 271 HB3 HIS 47 HB1 HIS 47 -2.440 4.593 -4.889 272 HD1 HIS 47 HD1 HIS 47 -3.094 6.977 -4.853 273 HD2 HIS 47 HD2 HIS 47 -2.029 5.597 -1.077 274 HE1 HIS 47 HE1 HIS 47 -3.152 8.992 -3.359 275 HE2 HIS 47 HE2 HIS 47 -2.613 8.123 -1.060 276 H TYR 48 HN TYR 48 -2.556 1.189 -3.423 277 HA TYR 48 HA TYR 48 -2.411 1.096 -0.484 278 HB2 TYR 48 HB2 TYR 48 -2.786 -1.335 -0.618 279 HB3 TYR 48 HB1 TYR 48 -4.141 -0.433 -1.290 280 HD1 TYR 48 HD2 TYR 48 -4.560 -0.447 -3.709 281 HD2 TYR 48 HD1 TYR 48 -1.404 -2.742 -2.016 282 HE1 TYR 48 HE2 TYR 48 -4.384 -1.734 -5.795 283 HE2 TYR 48 HE1 TYR 48 -1.221 -4.038 -4.097 284 HH TYR 48 HH TYR 48 -3.090 -3.188 -6.958 285 H THR 49 HN THR 49 -0.543 0.396 0.415 286 HA THR 49 HA THR 49 1.649 -0.222 -1.445 287 HB THR 49 HB THR 49 1.869 0.896 1.361 288 HG1 THR 49 HG1 THR 49 2.269 2.206 -1.142 289 HG21 THR 49 HG21 THR 49 4.209 1.292 0.783 290 HG22 THR 49 HG22 THR 49 3.950 0.564 -0.803 291 HG23 THR 49 HG23 THR 49 3.817 -0.422 0.654 292 H TYR 50 HN TYR 50 1.837 -2.398 -1.531 293 HA TYR 50 HA TYR 50 1.383 -3.920 0.915 294 HB2 TYR 50 HB2 TYR 50 0.361 -4.735 -1.203 295 HB3 TYR 50 HB1 TYR 50 1.978 -4.967 -1.862 296 HD1 TYR 50 HD1 TYR 50 0.009 -5.899 1.174 297 HD2 TYR 50 HD2 TYR 50 2.885 -7.108 -1.721 298 HE1 TYR 50 HE1 TYR 50 0.093 -8.124 2.205 299 HE2 TYR 50 HE2 TYR 50 2.975 -9.346 -0.697 300 HH TYR 50 HH TYR 50 0.748 -10.312 1.840 301 H ASN 51 HN ASN 51 3.046 -3.909 2.219 302 HA ASN 51 HA ASN 51 5.763 -3.795 1.288 303 HB2 ASN 51 HB2 ASN 51 5.026 -2.750 3.427 304 HB3 ASN 51 HB1 ASN 51 4.690 -4.355 4.070 305 HD21 ASN 51 HD21 ASN 51 7.158 -2.115 3.085 306 HD22 ASN 51 HD22 ASN 51 8.476 -2.935 3.864 307 H VAL 52 HN VAL 52 6.193 -5.599 0.085 308 HA VAL 52 HA VAL 52 5.367 -8.220 0.753 309 HB VAL 52 HB VAL 52 6.055 -7.406 -1.535 310 HG11 VAL 52 HG11 VAL 52 8.133 -6.309 -0.963 311 HG12 VAL 52 HG12 VAL 52 8.430 -7.592 -2.138 312 HG13 VAL 52 HG13 VAL 52 8.828 -7.843 -0.438 313 HG21 VAL 52 HG21 VAL 52 7.297 -9.962 -0.525 314 HG22 VAL 52 HG22 VAL 52 7.005 -9.571 -2.220 315 HG23 VAL 52 HG23 VAL 52 5.646 -9.757 -1.109 316 H LYS 53 HN LYS 53 7.862 -6.275 2.011 317 HA LYS 53 HA LYS 53 9.719 -8.315 2.693 318 HB2 LYS 53 HB2 LYS 53 9.641 -5.530 2.841 319 HB3 LYS 53 HB1 LYS 53 9.732 -6.058 4.518 320 HG2 LYS 53 HG2 LYS 53 11.947 -5.703 3.720 321 HG3 LYS 53 HG1 LYS 53 11.706 -7.436 3.909 322 HD2 LYS 53 HD2 LYS 53 11.252 -7.603 1.483 323 HD3 LYS 53 HD1 LYS 53 11.592 -5.883 1.328 324 HE2 LYS 53 HE2 LYS 53 13.545 -7.927 2.365 325 HE3 LYS 53 HE1 LYS 53 13.504 -7.337 0.706 326 HZ1 LYS 53 HZ1 LYS 53 14.110 -5.782 3.155 327 HZ2 LYS 53 HZ2 LYS 53 13.849 -5.070 1.643 328 HZ3 LYS 53 HZ3 LYS 53 15.155 -6.126 1.865 329 H SER 54 HN SER 54 6.935 -6.902 4.344 330 HA SER 54 HA SER 54 7.295 -8.902 6.483 331 HB2 SER 54 HB2 SER 54 5.650 -6.402 6.781 332 HB3 SER 54 HB1 SER 54 6.384 -7.397 8.037 333 HG SER 54 HG SER 54 7.661 -5.615 6.238 334 H GLY 55 HN GLY 55 5.244 -7.806 3.969 335 HA2 GLY 55 HA2 GLY 55 3.409 -8.935 3.086 336 HA3 GLY 55 HA1 GLY 55 3.342 -9.926 4.536 337 H LEU 56 HN LEU 56 3.498 -6.461 4.728 338 HA LEU 56 HA LEU 56 0.871 -6.458 5.992 339 HB2 LEU 56 HB2 LEU 56 3.045 -4.373 5.908 340 HB3 LEU 56 HB1 LEU 56 1.504 -4.155 6.712 341 HG LEU 56 HG LEU 56 3.504 -6.293 7.442 342 HD11 LEU 56 HD11 LEU 56 2.956 -3.632 8.747 343 HD12 LEU 56 HD12 LEU 56 4.423 -4.082 7.878 344 HD13 LEU 56 HD13 LEU 56 4.006 -4.895 9.386 345 HD21 LEU 56 HD21 LEU 56 2.136 -6.433 9.500 346 HD22 LEU 56 HD22 LEU 56 1.257 -6.909 8.050 347 HD23 LEU 56 HD23 LEU 56 0.977 -5.325 8.771 348 H CYS 57 HN CYS 57 -0.854 -5.317 5.286 349 HA CYS 57 HA CYS 57 -0.674 -4.195 2.583 350 HB2 CYS 57 HB2 CYS 57 -2.368 -5.947 2.972 351 HB3 CYS 57 HB1 CYS 57 -3.092 -4.968 4.240 352 H TYR 58 HN TYR 58 -1.000 -2.033 2.225 353 HA TYR 58 HA TYR 58 -1.738 -0.435 4.586 354 HB2 TYR 58 HB2 TYR 58 0.392 0.088 2.528 355 HB3 TYR 58 HB1 TYR 58 -0.264 1.360 3.546 356 HD1 TYR 58 HD2 TYR 58 1.736 -1.732 3.527 357 HD2 TYR 58 HD1 TYR 58 0.344 1.547 5.848 358 HE1 TYR 58 HE2 TYR 58 3.372 -2.283 5.275 359 HE2 TYR 58 HE1 TYR 58 1.983 1.006 7.601 360 HH TYR 58 HH TYR 58 3.255 -1.024 8.372 361 HA PRO 59 HA PRO 59 -4.674 0.900 1.300 362 HB2 PRO 59 HB2 PRO 59 -6.624 1.103 3.449 363 HB3 PRO 59 HB1 PRO 59 -6.660 0.047 2.032 364 HG2 PRO 59 HG2 PRO 59 -6.341 -0.891 4.555 365 HG3 PRO 59 HG1 PRO 59 -5.681 -1.700 3.123 366 HD2 PRO 59 HD2 PRO 59 -4.282 0.049 5.103 367 HD3 PRO 59 HD1 PRO 59 -3.719 -1.444 4.318 368 H LYS 60 HN LYS 60 -3.771 2.941 1.040 369 HA LYS 60 HA LYS 60 -4.166 4.848 3.244 370 HB2 LYS 60 HB2 LYS 60 -2.159 4.901 0.997 371 HB3 LYS 60 HB1 LYS 60 -2.331 6.147 2.226 372 HG2 LYS 60 HG2 LYS 60 -1.733 4.565 3.957 373 HG3 LYS 60 HG1 LYS 60 -1.638 3.267 2.767 374 HD2 LYS 60 HD2 LYS 60 0.175 4.458 1.625 375 HD3 LYS 60 HD1 LYS 60 0.087 5.742 2.833 376 HE2 LYS 60 HE2 LYS 60 0.750 2.855 3.385 377 HE3 LYS 60 HE1 LYS 60 1.914 4.168 3.279 378 HZ1 LYS 60 HZ1 LYS 60 0.619 5.244 5.130 379 HZ2 LYS 60 HZ2 LYS 60 1.501 3.861 5.548 380 HZ3 LYS 60 HZ3 LYS 60 -0.179 3.763 5.337 381 H ARG 61 HN ARG 61 -4.410 7.101 2.641 382 HA ARG 61 HA ARG 61 -5.939 7.533 0.167 383 HB2 ARG 61 HB2 ARG 61 -7.509 8.967 1.499 384 HB3 ARG 61 HB1 ARG 61 -7.607 7.257 1.901 385 HG2 ARG 61 HG2 ARG 61 -6.085 7.714 3.834 386 HG3 ARG 61 HG1 ARG 61 -6.256 9.433 3.481 387 HD2 ARG 61 HD2 ARG 61 -8.562 9.411 3.986 388 HD3 ARG 61 HD1 ARG 61 -8.625 7.648 3.961 389 HE ARG 61 HE ARG 61 -6.869 8.789 5.962 390 HH11 ARG 61 HH11 ARG 61 -10.157 7.719 5.248 391 HH12 ARG 61 HH12 ARG 61 -10.493 7.290 6.971 392 HH21 ARG 61 HH21 ARG 61 -7.286 8.311 8.135 393 HH22 ARG 61 HH22 ARG 61 -8.903 7.644 8.591 394 H GLY 62 HN GLY 62 -6.252 9.996 -0.133 395 HA2 GLY 62 HA2 GLY 62 -5.405 12.129 -0.234 396 HA3 GLY 62 HA1 GLY 62 -4.406 11.751 1.158 397 H LYS 63 HN LYS 63 -2.825 13.048 0.045 398 HA LYS 63 HA LYS 63 -1.659 12.191 -2.419 399 HB2 LYS 63 HB2 LYS 63 -1.559 14.512 -1.868 400 HB3 LYS 63 HB1 LYS 63 -0.834 14.176 -0.305 401 HG2 LYS 63 HG2 LYS 63 1.143 13.240 -1.609 402 HG3 LYS 63 HG1 LYS 63 0.423 14.018 -3.022 403 HD2 LYS 63 HD2 LYS 63 1.995 15.554 -2.128 404 HD3 LYS 63 HD1 LYS 63 0.397 16.157 -1.688 405 HE2 LYS 63 HE2 LYS 63 0.685 15.020 0.532 406 HE3 LYS 63 HE1 LYS 63 2.353 14.688 0.073 407 HZ1 LYS 63 HZ1 LYS 63 1.104 17.362 0.388 408 HZ2 LYS 63 HZ2 LYS 63 2.676 17.100 -0.181 409 HZ3 LYS 63 HZ3 LYS 63 2.263 16.660 1.399 410 HA PRO 64 HA PRO 64 1.043 9.222 -0.447 411 HB2 PRO 64 HB2 PRO 64 1.919 8.016 -2.658 412 HB3 PRO 64 HB1 PRO 64 0.240 7.846 -2.127 413 HG2 PRO 64 HG2 PRO 64 1.351 9.489 -4.337 414 HG3 PRO 64 HG1 PRO 64 -0.211 8.658 -4.220 415 HD2 PRO 64 HD2 PRO 64 0.261 11.390 -3.753 416 HD3 PRO 64 HD1 PRO 64 -1.213 10.487 -3.359 417 H GLN 65 HN GLN 65 3.010 9.573 0.344 418 HA GLN 65 HA GLN 65 4.922 11.169 -1.199 419 HB2 GLN 65 HB2 GLN 65 4.380 10.768 1.664 420 HB3 GLN 65 HB1 GLN 65 6.089 10.745 1.254 421 HG2 GLN 65 HG2 GLN 65 4.176 12.957 0.536 422 HG3 GLN 65 HG1 GLN 65 5.273 12.972 1.915 423 HE21 GLN 65 HE21 GLN 65 5.192 14.831 -0.272 424 HE22 GLN 65 HE22 GLN 65 6.734 14.755 -1.047 425 H PHE 66 HN PHE 66 5.727 9.676 -2.615 426 HA PHE 66 HA PHE 66 6.455 7.031 -1.923 427 HB2 PHE 66 HB2 PHE 66 7.214 8.754 -4.283 428 HB3 PHE 66 HB1 PHE 66 7.625 7.049 -4.140 429 HD1 PHE 66 HD1 PHE 66 5.625 5.433 -3.732 430 HD2 PHE 66 HD2 PHE 66 5.244 9.366 -5.317 431 HE1 PHE 66 HE1 PHE 66 3.458 4.821 -4.725 432 HE2 PHE 66 HE2 PHE 66 3.079 8.759 -6.309 433 HZ PHE 66 HZ PHE 66 2.183 6.487 -6.017 434 H TYR 67 HN TYR 67 8.245 6.205 -1.082 435 HA TYR 67 HA TYR 67 10.711 7.798 -1.134 436 HB2 TYR 67 HB2 TYR 67 11.251 7.157 1.156 437 HB3 TYR 67 HB1 TYR 67 9.729 8.034 1.112 438 HD1 TYR 67 HD1 TYR 67 11.320 4.790 1.714 439 HD2 TYR 67 HD2 TYR 67 7.644 6.929 1.692 440 HE1 TYR 67 HE1 TYR 67 10.271 2.986 3.008 441 HE2 TYR 67 HE2 TYR 67 6.582 5.124 2.987 442 HH TYR 67 HH TYR 67 7.737 2.128 3.251 443 H LYS 68 HN LYS 68 12.672 6.504 -0.939 444 HA LYS 68 HA LYS 68 12.442 4.079 -2.470 445 HB2 LYS 68 HB2 LYS 68 14.806 5.559 -1.320 446 HB3 LYS 68 HB1 LYS 68 14.963 4.066 -2.231 447 HG2 LYS 68 HG2 LYS 68 13.551 6.450 -3.373 448 HG3 LYS 68 HG1 LYS 68 15.304 6.272 -3.472 449 HD2 LYS 68 HD2 LYS 68 15.002 5.030 -5.297 450 HD3 LYS 68 HD1 LYS 68 14.260 3.803 -4.269 451 HE2 LYS 68 HE2 LYS 68 12.078 4.921 -4.568 452 HE3 LYS 68 HE1 LYS 68 12.842 6.065 -5.672 453 HZ1 LYS 68 HZ1 LYS 68 13.343 4.298 -7.180 454 HZ2 LYS 68 HZ2 LYS 68 11.700 4.197 -6.794 455 HZ3 LYS 68 HZ3 LYS 68 12.802 3.124 -6.085 456 H TYR 69 HN TYR 69 12.139 2.134 -1.681 457 HA TYR 69 HA TYR 69 13.601 1.164 0.591 458 HB2 TYR 69 HB2 TYR 69 11.744 2.249 1.771 459 HB3 TYR 69 HB1 TYR 69 10.583 1.367 0.785 460 HD1 TYR 69 HD1 TYR 69 13.031 1.092 3.517 461 HD2 TYR 69 HD2 TYR 69 10.090 -0.950 1.220 462 HE1 TYR 69 HE1 TYR 69 13.021 -0.739 5.160 463 HE2 TYR 69 HE2 TYR 69 10.074 -2.782 2.854 464 HH TYR 69 HH TYR 69 11.474 -2.537 5.912 465 H LEU 70 HN LEU 70 14.201 -0.824 0.004 466 HA LEU 70 HA LEU 70 12.900 -2.164 -2.167 467 HB2 LEU 70 HB2 LEU 70 15.417 -2.191 -1.421 468 HB3 LEU 70 HB1 LEU 70 14.898 -3.507 -0.388 469 HG LEU 70 HG LEU 70 15.917 -4.136 -2.638 470 HD11 LEU 70 HD11 LEU 70 13.145 -5.212 -2.175 471 HD12 LEU 70 HD12 LEU 70 14.536 -5.640 -1.179 472 HD13 LEU 70 HD13 LEU 70 14.527 -6.039 -2.897 473 HD21 LEU 70 HD21 LEU 70 13.195 -3.435 -3.706 474 HD22 LEU 70 HD22 LEU 70 14.614 -3.981 -4.597 475 HD23 LEU 70 HD23 LEU 70 14.592 -2.373 -3.875 476 H GLY 71 HN GLY 71 10.843 -2.746 -1.619 477 HA2 GLY 71 HA2 GLY 71 10.086 -5.093 -0.702 478 HA3 GLY 71 HA1 GLY 71 10.411 -4.289 0.827 479 H ASP 72 HN ASP 72 9.512 -1.706 -0.560 480 HA ASP 72 HA ASP 72 6.687 -2.069 0.081 481 HB2 ASP 72 HB2 ASP 72 8.558 0.241 0.011 482 HB3 ASP 72 HB1 ASP 72 6.860 0.564 -0.321 483 H MET 73 HN MET 73 5.350 -2.529 -1.527 484 HA MET 73 HA MET 73 5.899 -1.362 -4.175 485 HB2 MET 73 HB2 MET 73 4.483 -3.959 -3.523 486 HB3 MET 73 HB1 MET 73 4.706 -3.301 -5.139 487 HG2 MET 73 HG2 MET 73 7.158 -3.438 -4.796 488 HG3 MET 73 HG1 MET 73 6.855 -4.240 -3.257 489 HE1 MET 73 HE1 MET 73 8.204 -7.073 -5.656 490 HE2 MET 73 HE2 MET 73 8.458 -6.246 -4.119 491 HE3 MET 73 HE3 MET 73 8.672 -5.372 -5.636 492 H THR 74 HN THR 74 4.598 0.329 -4.448 493 HA THR 74 HA THR 74 1.930 0.311 -3.273 494 HB THR 74 HB THR 74 3.334 2.575 -4.705 495 HG1 THR 74 HG1 THR 74 4.518 2.207 -2.868 496 HG21 THR 74 HG21 THR 74 0.929 2.556 -2.871 497 HG22 THR 74 HG22 THR 74 0.888 2.793 -4.618 498 HG23 THR 74 HG23 THR 74 1.674 3.987 -3.583 499 H GLY 75 HN GLY 75 0.136 0.002 -4.395 500 HA2 GLY 75 HA2 GLY 75 0.340 -0.119 -7.339 501 HA3 GLY 75 HA1 GLY 75 -0.800 -1.046 -6.371 502 H SER 76 HN SER 76 -1.148 0.947 -8.608 503 HA SER 76 HA SER 76 -2.415 3.246 -7.477 504 HB2 SER 76 HB2 SER 76 -2.777 2.187 -10.281 505 HB3 SER 76 HB1 SER 76 -2.910 3.856 -9.725 506 HG SER 76 HG SER 76 -0.829 4.069 -9.903 507 H ARG 77 HN ARG 77 -3.496 0.880 -6.389 508 HA ARG 77 HA ARG 77 -5.468 0.030 -5.693 509 HB2 ARG 77 HB2 ARG 77 -6.185 2.467 -5.851 510 HB3 ARG 77 HB1 ARG 77 -6.903 2.053 -7.405 511 HG2 ARG 77 HG2 ARG 77 -8.237 0.297 -6.223 512 HG3 ARG 77 HG1 ARG 77 -7.625 0.953 -4.703 513 HD2 ARG 77 HD2 ARG 77 -8.526 3.207 -5.587 514 HD3 ARG 77 HD1 ARG 77 -9.462 2.214 -6.703 515 HE ARG 77 HE ARG 77 -9.621 1.688 -3.822 516 HH11 ARG 77 HH11 ARG 77 -11.125 2.819 -6.794 517 HH12 ARG 77 HH12 ARG 77 -12.792 2.739 -6.110 518 HH21 ARG 77 HH21 ARG 77 -11.714 1.596 -2.913 519 HH22 ARG 77 HH22 ARG 77 -13.122 2.043 -3.950 520 H THR 78 HN THR 78 -6.221 1.040 -9.018 521 HA THR 78 HA THR 78 -7.385 -1.568 -9.564 522 HB THR 78 HB THR 78 -7.391 0.085 -11.872 523 HG1 THR 78 HG1 THR 78 -7.368 2.023 -11.034 524 HG21 THR 78 HG21 THR 78 -9.806 0.112 -11.489 525 HG22 THR 78 HG22 THR 78 -9.556 -0.465 -9.842 526 HG23 THR 78 HG23 THR 78 -9.146 -1.500 -11.211 527 H CYS 79 HN CYS 79 -6.845 -1.403 -12.422 528 HA CYS 79 HA CYS 79 -5.414 -2.168 -13.985 529 HB2 CYS 79 HB2 CYS 79 -3.125 -1.193 -12.278 530 HB3 CYS 79 HB1 CYS 79 -3.188 -1.349 -14.030 531 H1 GAL 83 H1 GTP 1 6.036 2.262 8.444 532 H2 GAL 83 H2 GTP 1 5.705 4.181 6.076 533 H3 GAL 83 H3 GTP 1 3.763 2.358 7.538 534 H4 GAL 83 H4 GTP 1 3.661 1.239 5.350 535 H5 GAL 83 H5 GTP 1 5.239 0.491 7.066 536 H61 GAL 83 H61 GTP 1 5.670 0.132 4.226 537 H62 GAL 83 H62 GTP 1 5.864 -1.006 5.563 538 HO2 GAL 83 HO2 GTP 1 5.742 4.753 8.582 539 HO3 GAL 83 HO3 GTP 1 3.415 4.652 6.301 540 HO4 GAL 83 HO4 GTP 1 5.964 2.498 4.405 541 HO6 GAL 83 HO6 GTP 1 7.702 0.225 4.023 542 H1 NAG 84 H1 GCP 2 10.240 3.143 4.827 543 H2 NAG 84 H2 GCP 2 10.233 3.316 7.880 544 H3 NAG 84 H3 GCP 2 8.035 3.584 5.794 545 H4 NAG 84 H4 GCP 2 9.350 5.511 7.761 546 H5 NAG 84 H5 GCP 2 9.336 5.325 4.712 547 H61 NAG 84 H61 GCP 2 10.832 7.259 6.502 548 H62 NAG 84 H62 GCP 2 9.367 7.651 5.601 549 H81 NAG 84 HC23 GCP 2 10.458 -1.318 7.473 550 H82 NAG 84 HC21 GCP 2 9.065 -0.958 8.493 551 H83 NAG 84 HC22 GCP 2 8.942 -0.788 6.741 552 HN2 NAG 84 HN2 GCP 2 8.784 1.290 6.247 553 HO1 NAG 84 HO1 GCP 2 12.136 2.218 5.134 554 HO4 NAG 84 HO4 GCP 2 7.253 6.145 7.513 555 HO6 NAG 84 HO6 GCP 2 11.221 8.244 4.396 Start of MODEL 2 1 H CYS 10 HT1 CYS 10 0.618 -0.347 -15.518 2 HA CYS 10 HA CYS 10 -0.724 1.999 -14.321 3 HB2 CYS 10 HB2 CYS 10 -1.615 0.322 -12.708 4 HB3 CYS 10 HB1 CYS 10 -2.199 0.068 -14.349 5 H VAL 11 HN VAL 11 -0.147 2.251 -12.012 6 HA VAL 11 HA VAL 11 2.721 1.935 -11.689 7 HB VAL 11 HB VAL 11 0.780 3.195 -9.745 8 HG11 VAL 11 HG11 VAL 11 2.976 2.619 -8.822 9 HG12 VAL 11 HG12 VAL 11 2.747 4.366 -8.910 10 HG13 VAL 11 HG13 VAL 11 3.756 3.549 -10.105 11 HG21 VAL 11 HG21 VAL 11 2.292 4.461 -12.028 12 HG22 VAL 11 HG22 VAL 11 1.462 5.354 -10.754 13 HG23 VAL 11 HG23 VAL 11 0.542 4.332 -11.855 14 H HIS 12 HN HIS 12 3.590 0.243 -10.704 15 HA HIS 12 HA HIS 12 2.544 -0.836 -8.277 16 HB2 HIS 12 HB2 HIS 12 2.099 -3.111 -9.037 17 HB3 HIS 12 HB1 HIS 12 1.061 -1.988 -9.903 18 HD1 HIS 12 HD1 HIS 12 4.033 -4.249 -10.406 19 HD2 HIS 12 HD2 HIS 12 1.401 -1.939 -12.655 20 HE1 HIS 12 HE1 HIS 12 4.442 -4.887 -12.803 21 HE2 HIS 12 HE2 HIS 12 2.722 -3.613 -14.124 22 H THR 13 HN THR 13 3.994 -2.341 -7.307 23 HA THR 13 HA THR 13 6.055 -3.063 -6.700 24 HB THR 13 HB THR 13 6.922 -3.280 -9.559 25 HG1 THR 13 HG1 THR 13 5.579 -5.374 -9.388 26 HG21 THR 13 HG21 THR 13 7.819 -5.405 -8.810 27 HG22 THR 13 HG22 THR 13 7.007 -5.238 -7.257 28 HG23 THR 13 HG23 THR 13 8.320 -4.142 -7.682 29 H GLY 14 HN GLY 14 8.433 -2.562 -8.650 30 HA2 GLY 14 HA2 GLY 14 10.002 -0.933 -9.033 31 HA3 GLY 14 HA1 GLY 14 8.741 0.264 -8.791 32 H ASN 15 HN ASN 15 9.189 -1.969 -6.251 33 HA ASN 15 HA ASN 15 9.592 -1.597 -4.043 34 HB2 ASN 15 HB2 ASN 15 12.006 -1.069 -3.563 35 HB3 ASN 15 HB1 ASN 15 11.725 -2.433 -4.632 36 HD21 ASN 15 HD21 ASN 15 12.804 0.890 -4.448 37 HD22 ASN 15 HD22 ASN 15 13.675 0.886 -5.945 38 H ILE 16 HN ILE 16 8.031 0.367 -4.669 39 HA ILE 16 HA ILE 16 9.219 2.737 -3.389 40 HB ILE 16 HB ILE 16 7.158 2.680 -5.605 41 HG12 ILE 16 HG12 ILE 16 9.513 2.457 -6.333 42 HG13 ILE 16 HG11 ILE 16 8.784 3.961 -6.881 43 HG21 ILE 16 HG21 ILE 16 6.556 4.348 -3.925 44 HG22 ILE 16 HG22 ILE 16 7.066 5.105 -5.432 45 HG23 ILE 16 HG23 ILE 16 8.164 5.063 -4.051 46 HD11 ILE 16 HD11 ILE 16 11.017 4.392 -6.152 47 HD12 ILE 16 HD12 ILE 16 10.710 3.608 -4.604 48 HD13 ILE 16 HD13 ILE 16 9.899 5.123 -5.000 49 H GLY 17 HN GLY 17 8.244 3.315 -1.562 50 HA2 GLY 17 HA2 GLY 17 5.617 2.121 -0.942 51 HA3 GLY 17 HA1 GLY 17 6.813 2.602 0.257 52 H SER 18 HN SER 18 4.670 3.669 1.016 53 HA SER 18 HA SER 18 4.790 6.434 0.082 54 HB2 SER 18 HB2 SER 18 2.316 4.723 0.204 55 HB3 SER 18 HB1 SER 18 2.223 6.482 0.332 56 HG SER 18 HG SER 18 3.686 5.325 -1.765 57 H LYS 19 HN LYS 19 5.096 7.733 1.751 58 HA LYS 19 HA LYS 19 4.673 6.777 4.455 59 HB2 LYS 19 HB2 LYS 19 6.677 8.147 3.659 60 HB3 LYS 19 HB1 LYS 19 5.591 9.529 3.614 61 HG2 LYS 19 HG2 LYS 19 5.237 9.430 5.961 62 HG3 LYS 19 HG1 LYS 19 6.072 7.880 6.081 63 HD2 LYS 19 HD2 LYS 19 7.497 9.700 6.860 64 HD3 LYS 19 HD1 LYS 19 8.168 8.961 5.406 65 HE2 LYS 19 HE2 LYS 19 8.365 11.360 5.251 66 HE3 LYS 19 HE1 LYS 19 7.186 10.796 4.070 67 HZ1 LYS 19 HZ1 LYS 19 6.810 12.777 5.890 68 HZ2 LYS 19 HZ2 LYS 19 5.987 11.470 6.578 69 HZ3 LYS 19 HZ3 LYS 19 5.595 11.991 5.017 70 H ALA 20 HN ALA 20 2.425 7.403 2.554 71 HA ALA 20 HA ALA 20 1.071 9.705 3.577 72 HB1 ALA 20 HB1 ALA 20 -0.855 8.843 2.269 73 HB2 ALA 20 HB2 ALA 20 0.090 7.403 1.890 74 HB3 ALA 20 HB3 ALA 20 0.625 8.982 1.319 75 H GLN 21 HN GLN 21 -0.986 9.606 4.707 76 HA GLN 21 HA GLN 21 -0.829 8.001 7.030 77 HB2 GLN 21 HB2 GLN 21 -1.890 10.346 6.672 78 HB3 GLN 21 HB1 GLN 21 -3.317 9.451 6.172 79 HG2 GLN 21 HG2 GLN 21 -2.233 8.480 8.681 80 HG3 GLN 21 HG1 GLN 21 -2.657 10.189 8.746 81 HE21 GLN 21 HE21 GLN 21 -3.915 8.010 10.138 82 HE22 GLN 21 HE22 GLN 21 -5.563 7.971 9.621 83 H THR 22 HN THR 22 -1.764 6.137 7.566 84 HA THR 22 HA THR 22 -3.096 4.610 5.509 85 HB THR 22 HB THR 22 -2.559 3.806 8.377 86 HG1 THR 22 HG1 THR 22 -0.528 3.665 7.816 87 HG21 THR 22 HG21 THR 22 -2.605 1.522 7.468 88 HG22 THR 22 HG22 THR 22 -2.996 2.168 5.874 89 HG23 THR 22 HG23 THR 22 -4.141 2.352 7.204 90 H ILE 23 HN ILE 23 -5.230 4.027 5.460 91 HA ILE 23 HA ILE 23 -7.136 5.744 6.538 92 HB ILE 23 HB ILE 23 -7.552 2.930 5.530 93 HG12 ILE 23 HG12 ILE 23 -7.928 5.543 4.069 94 HG13 ILE 23 HG11 ILE 23 -6.430 4.624 3.999 95 HG21 ILE 23 HG21 ILE 23 -9.450 3.750 6.857 96 HG22 ILE 23 HG22 ILE 23 -9.867 3.599 5.152 97 HG23 ILE 23 HG23 ILE 23 -9.530 5.188 5.840 98 HD11 ILE 23 HD11 ILE 23 -7.604 2.751 3.008 99 HD12 ILE 23 HD12 ILE 23 -7.855 4.218 2.062 100 HD13 ILE 23 HD13 ILE 23 -9.130 3.627 3.127 101 H GLY 24 HN GLY 24 -6.268 2.461 7.658 102 HA2 GLY 24 HA2 GLY 24 -7.323 3.224 10.280 103 HA3 GLY 24 HA1 GLY 24 -8.004 1.803 9.510 104 H GLU 25 HN GLU 25 -7.211 -0.008 10.182 105 HA GLU 25 HA GLU 25 -4.720 -0.102 11.663 106 HB2 GLU 25 HB2 GLU 25 -6.489 -1.262 12.707 107 HB3 GLU 25 HB1 GLU 25 -7.009 -2.000 11.200 108 HG2 GLU 25 HG2 GLU 25 -4.763 -3.237 11.260 109 HG3 GLU 25 HG1 GLU 25 -4.689 -2.729 12.947 110 H VAL 26 HN VAL 26 -2.931 -1.312 11.117 111 HA VAL 26 HA VAL 26 -2.578 -1.864 8.299 112 HB VAL 26 HB VAL 26 -0.662 -2.287 10.609 113 HG11 VAL 26 HG11 VAL 26 -0.158 -3.705 8.669 114 HG12 VAL 26 HG12 VAL 26 1.071 -2.463 8.911 115 HG13 VAL 26 HG13 VAL 26 -0.135 -2.274 7.637 116 HG21 VAL 26 HG21 VAL 26 -1.258 0.064 10.305 117 HG22 VAL 26 HG22 VAL 26 -0.831 -0.045 8.598 118 HG23 VAL 26 HG23 VAL 26 0.415 -0.232 9.832 119 H LYS 27 HN LYS 27 -3.571 -3.654 7.615 120 HA LYS 27 HA LYS 27 -3.632 -6.027 9.303 121 HB2 LYS 27 HB2 LYS 27 -4.962 -5.473 6.646 122 HB3 LYS 27 HB1 LYS 27 -5.203 -6.915 7.627 123 HG2 LYS 27 HG2 LYS 27 -6.189 -5.611 9.391 124 HG3 LYS 27 HG1 LYS 27 -5.841 -4.114 8.523 125 HD2 LYS 27 HD2 LYS 27 -7.342 -4.775 6.732 126 HD3 LYS 27 HD1 LYS 27 -7.638 -6.320 7.530 127 HE2 LYS 27 HE2 LYS 27 -8.303 -3.617 8.691 128 HE3 LYS 27 HE1 LYS 27 -9.453 -4.686 7.890 129 HZ1 LYS 27 HZ1 LYS 27 -8.008 -5.151 10.438 130 HZ2 LYS 27 HZ2 LYS 27 -8.824 -6.383 9.607 131 HZ3 LYS 27 HZ3 LYS 27 -9.684 -5.047 10.188 132 H ARG 28 HN ARG 28 -3.071 -8.101 8.481 133 HA ARG 28 HA ARG 28 -0.675 -7.998 6.827 134 HB2 ARG 28 HB2 ARG 28 -1.281 -9.392 9.114 135 HB3 ARG 28 HB1 ARG 28 -1.531 -10.609 7.870 136 HG2 ARG 28 HG2 ARG 28 0.726 -10.302 7.062 137 HG3 ARG 28 HG1 ARG 28 0.987 -8.993 8.217 138 HD2 ARG 28 HD2 ARG 28 1.996 -10.976 9.091 139 HD3 ARG 28 HD1 ARG 28 0.564 -10.615 10.055 140 HE ARG 28 HE ARG 28 -0.151 -12.388 7.997 141 HH11 ARG 28 HH11 ARG 28 1.701 -12.287 10.986 142 HH12 ARG 28 HH12 ARG 28 1.501 -14.051 11.302 143 HH21 ARG 28 HH21 ARG 28 -0.424 -14.615 8.348 144 HH22 ARG 28 HH22 ARG 28 0.282 -15.353 9.835 145 H ALA 29 HN ALA 29 -0.419 -9.167 4.936 146 HA ALA 29 HA ALA 29 -2.781 -10.520 3.843 147 HB1 ALA 29 HB1 ALA 29 -1.339 -8.180 2.652 148 HB2 ALA 29 HB2 ALA 29 -3.072 -8.462 2.803 149 HB3 ALA 29 HB3 ALA 29 -2.133 -9.363 1.614 150 H SER 30 HN SER 30 -2.278 -12.014 2.140 151 HA SER 30 HA SER 30 0.491 -12.963 2.315 152 HB2 SER 30 HB2 SER 30 -1.925 -14.498 1.354 153 HB3 SER 30 HB1 SER 30 -0.343 -15.148 1.797 154 HG SER 30 HG SER 30 -1.065 -13.837 3.886 155 H SER 31 HN SER 31 -1.127 -11.017 0.353 156 HA SER 31 HA SER 31 0.591 -11.496 -1.864 157 HB2 SER 31 HB2 SER 31 -1.093 -12.034 -3.547 158 HB3 SER 31 HB1 SER 31 -1.136 -13.254 -2.273 159 HG SER 31 HG SER 31 -3.168 -12.768 -2.096 160 H LEU 32 HN LEU 32 0.244 -9.894 -3.596 161 HA LEU 32 HA LEU 32 -0.335 -7.325 -2.549 162 HB2 LEU 32 HB2 LEU 32 1.278 -7.792 -4.396 163 HB3 LEU 32 HB1 LEU 32 -0.083 -8.158 -5.442 164 HG LEU 32 HG LEU 32 -0.734 -5.663 -4.524 165 HD11 LEU 32 HD11 LEU 32 2.222 -5.629 -5.059 166 HD12 LEU 32 HD12 LEU 32 1.510 -5.525 -3.451 167 HD13 LEU 32 HD13 LEU 32 1.192 -4.261 -4.639 168 HD21 LEU 32 HD21 LEU 32 -0.033 -4.889 -6.751 169 HD22 LEU 32 HD22 LEU 32 -0.931 -6.403 -6.816 170 HD23 LEU 32 HD23 LEU 32 0.824 -6.411 -6.993 171 H SER 33 HN SER 33 -2.077 -9.637 -4.521 172 HA SER 33 HA SER 33 -4.245 -8.033 -5.274 173 HB2 SER 33 HB2 SER 33 -4.426 -10.999 -4.757 174 HB3 SER 33 HB1 SER 33 -5.283 -10.041 -5.968 175 HG SER 33 HG SER 33 -3.516 -11.245 -6.844 176 H GLU 34 HN GLU 34 -3.610 -9.916 -2.367 177 HA GLU 34 HA GLU 34 -6.189 -9.733 -1.234 178 HB2 GLU 34 HB2 GLU 34 -4.251 -11.231 -0.507 179 HB3 GLU 34 HB1 GLU 34 -3.596 -9.820 0.310 180 HG2 GLU 34 HG2 GLU 34 -4.828 -11.283 1.827 181 HG3 GLU 34 HG1 GLU 34 -5.547 -9.677 1.715 182 H CYS 35 HN CYS 35 -3.316 -7.696 -1.059 183 HA CYS 35 HA CYS 35 -4.336 -5.801 0.777 184 HB2 CYS 35 HB2 CYS 35 -1.907 -6.127 0.123 185 HB3 CYS 35 HB1 CYS 35 -2.275 -5.290 -1.381 186 H ARG 36 HN ARG 36 -4.286 -5.997 -2.747 187 HA ARG 36 HA ARG 36 -5.434 -3.510 -3.329 188 HB2 ARG 36 HB2 ARG 36 -4.348 -4.991 -4.995 189 HB3 ARG 36 HB1 ARG 36 -5.702 -6.105 -4.866 190 HG2 ARG 36 HG2 ARG 36 -7.027 -3.851 -5.461 191 HG3 ARG 36 HG1 ARG 36 -5.494 -3.526 -6.273 192 HD2 ARG 36 HD2 ARG 36 -6.860 -4.608 -7.871 193 HD3 ARG 36 HD1 ARG 36 -5.704 -5.817 -7.316 194 HE ARG 36 HE ARG 36 -8.413 -5.691 -6.173 195 HH11 ARG 36 HH11 ARG 36 -5.913 -7.424 -7.956 196 HH12 ARG 36 HH12 ARG 36 -6.753 -9.014 -7.800 197 HH21 ARG 36 HH21 ARG 36 -9.507 -7.676 -5.969 198 HH22 ARG 36 HH22 ARG 36 -8.765 -9.152 -6.694 199 H ALA 37 HN ALA 37 -6.908 -6.701 -2.862 200 HA ALA 37 HA ALA 37 -9.573 -5.946 -3.299 201 HB1 ALA 37 HB1 ALA 37 -8.864 -8.276 -3.285 202 HB2 ALA 37 HB2 ALA 37 -10.165 -8.015 -2.123 203 HB3 ALA 37 HB3 ALA 37 -8.500 -8.170 -1.562 204 H ARG 38 HN ARG 38 -7.590 -5.929 -0.378 205 HA ARG 38 HA ARG 38 -9.703 -5.269 1.399 206 HB2 ARG 38 HB2 ARG 38 -7.327 -6.194 1.911 207 HB3 ARG 38 HB1 ARG 38 -6.841 -4.505 1.891 208 HG2 ARG 38 HG2 ARG 38 -7.252 -5.109 4.149 209 HG3 ARG 38 HG1 ARG 38 -8.576 -4.063 3.631 210 HD2 ARG 38 HD2 ARG 38 -9.821 -5.691 4.599 211 HD3 ARG 38 HD1 ARG 38 -9.648 -6.431 3.010 212 HE ARG 38 HE ARG 38 -8.295 -7.229 5.475 213 HH11 ARG 38 HH11 ARG 38 -8.803 -7.704 2.024 214 HH12 ARG 38 HH12 ARG 38 -8.090 -9.364 2.022 215 HH21 ARG 38 HH21 ARG 38 -7.382 -9.322 5.522 216 HH22 ARG 38 HH22 ARG 38 -7.290 -10.265 3.985 217 H CYS 39 HN CYS 39 -7.385 -3.336 -0.443 218 HA CYS 39 HA CYS 39 -8.181 -0.852 0.712 219 HB2 CYS 39 HB2 CYS 39 -6.064 -1.664 -0.826 220 HB3 CYS 39 HB1 CYS 39 -7.006 -0.719 -1.974 221 H GLN 40 HN GLN 40 -9.362 -2.784 -1.931 222 HA GLN 40 HA GLN 40 -10.733 -0.778 -3.360 223 HB2 GLN 40 HB2 GLN 40 -11.039 -3.750 -3.148 224 HB3 GLN 40 HB1 GLN 40 -12.223 -2.804 -4.038 225 HG2 GLN 40 HG2 GLN 40 -10.461 -1.951 -5.488 226 HG3 GLN 40 HG1 GLN 40 -9.264 -2.876 -4.581 227 HE21 GLN 40 HE21 GLN 40 -11.833 -3.001 -6.898 228 HE22 GLN 40 HE22 GLN 40 -11.573 -4.638 -7.399 229 H ALA 41 HN ALA 41 -11.472 -2.462 -0.427 230 HA ALA 41 HA ALA 41 -14.273 -1.956 -0.394 231 HB1 ALA 41 HB1 ALA 41 -12.389 -2.514 1.897 232 HB2 ALA 41 HB2 ALA 41 -13.260 -3.726 0.957 233 HB3 ALA 41 HB3 ALA 41 -14.150 -2.585 1.967 234 H GLU 42 HN GLU 42 -11.462 -0.116 0.363 235 HA GLU 42 HA GLU 42 -12.972 1.917 1.813 236 HB2 GLU 42 HB2 GLU 42 -10.041 1.987 1.085 237 HB3 GLU 42 HB1 GLU 42 -10.860 2.901 2.341 238 HG2 GLU 42 HG2 GLU 42 -10.478 -0.083 2.351 239 HG3 GLU 42 HG1 GLU 42 -9.476 1.074 3.225 240 H LYS 43 HN LYS 43 -14.060 3.326 0.584 241 HA LYS 43 HA LYS 43 -13.428 3.811 -2.149 242 HB2 LYS 43 HB2 LYS 43 -15.240 5.499 -2.030 243 HB3 LYS 43 HB1 LYS 43 -15.717 3.915 -1.438 244 HG2 LYS 43 HG2 LYS 43 -15.518 4.665 0.850 245 HG3 LYS 43 HG1 LYS 43 -14.914 6.233 0.312 246 HD2 LYS 43 HD2 LYS 43 -17.246 6.444 0.876 247 HD3 LYS 43 HD1 LYS 43 -17.068 6.600 -0.871 248 HE2 LYS 43 HE2 LYS 43 -17.751 4.272 -1.149 249 HE3 LYS 43 HE1 LYS 43 -17.916 4.103 0.596 250 HZ1 LYS 43 HZ1 LYS 43 -19.483 5.956 -1.108 251 HZ2 LYS 43 HZ2 LYS 43 -19.660 5.767 0.560 252 HZ3 LYS 43 HZ3 LYS 43 -20.046 4.492 -0.483 253 H GLU 44 HN GLU 44 -11.813 4.855 0.459 254 HA GLU 44 HA GLU 44 -11.202 7.484 -0.704 255 HB2 GLU 44 HB2 GLU 44 -11.930 7.032 1.830 256 HB3 GLU 44 HB1 GLU 44 -10.208 6.724 2.001 257 HG2 GLU 44 HG2 GLU 44 -9.632 8.906 1.492 258 HG3 GLU 44 HG1 GLU 44 -11.160 9.223 0.675 259 H CYS 45 HN CYS 45 -10.176 4.442 -0.905 260 HA CYS 45 HA CYS 45 -7.324 4.953 -0.601 261 HB2 CYS 45 HB2 CYS 45 -7.949 2.828 0.229 262 HB3 CYS 45 HB1 CYS 45 -8.920 2.465 -1.195 263 H SER 46 HN SER 46 -6.145 5.682 -2.212 264 HA SER 46 HA SER 46 -6.932 5.021 -4.971 265 HB2 SER 46 HB2 SER 46 -5.874 7.238 -5.591 266 HB3 SER 46 HB1 SER 46 -7.372 7.363 -4.669 267 HG SER 46 HG SER 46 -6.016 8.720 -3.646 268 H HIS 47 HN HIS 47 -4.867 4.256 -2.688 269 HA HIS 47 HA HIS 47 -2.849 3.294 -4.415 270 HB2 HIS 47 HB2 HIS 47 -0.945 4.594 -3.349 271 HB3 HIS 47 HB1 HIS 47 -1.946 5.498 -4.476 272 HD1 HIS 47 HD1 HIS 47 -3.597 7.276 -3.418 273 HD2 HIS 47 HD2 HIS 47 -0.900 5.567 -0.751 274 HE1 HIS 47 HE1 HIS 47 -3.624 8.754 -1.392 275 HE2 HIS 47 HE2 HIS 47 -2.143 7.598 0.275 276 H TYR 48 HN TYR 48 -2.231 1.451 -3.517 277 HA TYR 48 HA TYR 48 -2.371 1.244 -0.584 278 HB2 TYR 48 HB2 TYR 48 -2.813 -1.173 -0.893 279 HB3 TYR 48 HB1 TYR 48 -4.063 -0.164 -1.605 280 HD1 TYR 48 HD2 TYR 48 -4.270 0.003 -4.054 281 HD2 TYR 48 HD1 TYR 48 -1.422 -2.585 -2.249 282 HE1 TYR 48 HE2 TYR 48 -4.006 -1.185 -6.188 283 HE2 TYR 48 HE1 TYR 48 -1.153 -3.778 -4.379 284 HH TYR 48 HH TYR 48 -2.295 -2.569 -7.318 285 H THR 49 HN THR 49 -0.583 0.694 0.484 286 HA THR 49 HA THR 49 1.779 -0.023 -1.113 287 HB THR 49 HB THR 49 1.643 1.055 1.716 288 HG1 THR 49 HG1 THR 49 2.466 2.332 -0.709 289 HG21 THR 49 HG21 THR 49 4.065 1.363 1.493 290 HG22 THR 49 HG22 THR 49 4.017 0.605 -0.100 291 HG23 THR 49 HG23 THR 49 3.623 -0.338 1.338 292 H TYR 50 HN TYR 50 2.304 -2.107 -1.125 293 HA TYR 50 HA TYR 50 1.581 -3.731 1.222 294 HB2 TYR 50 HB2 TYR 50 0.398 -4.443 -0.783 295 HB3 TYR 50 HB1 TYR 50 1.913 -4.546 -1.672 296 HD1 TYR 50 HD1 TYR 50 0.428 -5.905 1.486 297 HD2 TYR 50 HD2 TYR 50 2.788 -6.658 -1.975 298 HE1 TYR 50 HE1 TYR 50 0.655 -8.259 2.156 299 HE2 TYR 50 HE2 TYR 50 3.016 -9.012 -1.310 300 HH TYR 50 HH TYR 50 2.910 -10.325 0.865 301 H ASN 51 HN ASN 51 3.212 -4.395 2.420 302 HA ASN 51 HA ASN 51 5.927 -4.278 1.350 303 HB2 ASN 51 HB2 ASN 51 5.468 -3.237 3.544 304 HB3 ASN 51 HB1 ASN 51 4.960 -4.800 4.177 305 HD21 ASN 51 HD21 ASN 51 7.638 -2.834 3.170 306 HD22 ASN 51 HD22 ASN 51 8.882 -3.858 3.817 307 H VAL 52 HN VAL 52 6.582 -6.038 0.311 308 HA VAL 52 HA VAL 52 5.384 -8.601 0.696 309 HB VAL 52 HB VAL 52 7.061 -9.421 -0.924 310 HG11 VAL 52 HG11 VAL 52 4.998 -8.528 -1.769 311 HG12 VAL 52 HG12 VAL 52 6.311 -8.002 -2.821 312 HG13 VAL 52 HG13 VAL 52 5.615 -6.881 -1.653 313 HG21 VAL 52 HG21 VAL 52 8.929 -7.980 -0.251 314 HG22 VAL 52 HG22 VAL 52 8.072 -6.579 -0.896 315 HG23 VAL 52 HG23 VAL 52 8.604 -7.862 -1.982 316 H LYS 53 HN LYS 53 7.896 -7.036 2.356 317 HA LYS 53 HA LYS 53 9.464 -9.369 2.917 318 HB2 LYS 53 HB2 LYS 53 9.498 -6.525 3.716 319 HB3 LYS 53 HB1 LYS 53 10.138 -7.647 4.909 320 HG2 LYS 53 HG2 LYS 53 11.056 -7.577 2.044 321 HG3 LYS 53 HG1 LYS 53 11.827 -6.664 3.344 322 HD2 LYS 53 HD2 LYS 53 12.396 -8.682 4.510 323 HD3 LYS 53 HD1 LYS 53 11.436 -9.654 3.394 324 HE2 LYS 53 HE2 LYS 53 12.968 -8.855 1.559 325 HE3 LYS 53 HE1 LYS 53 13.998 -8.183 2.823 326 HZ1 LYS 53 HZ1 LYS 53 14.736 -10.384 2.134 327 HZ2 LYS 53 HZ2 LYS 53 13.239 -11.045 2.563 328 HZ3 LYS 53 HZ3 LYS 53 14.248 -10.396 3.753 329 H SER 54 HN SER 54 7.280 -7.376 4.906 330 HA SER 54 HA SER 54 7.151 -9.524 6.881 331 HB2 SER 54 HB2 SER 54 5.722 -6.881 7.063 332 HB3 SER 54 HB1 SER 54 6.263 -7.933 8.372 333 HG SER 54 HG SER 54 8.282 -7.083 6.718 334 H GLY 55 HN GLY 55 5.311 -8.263 4.265 335 HA2 GLY 55 HA2 GLY 55 3.406 -9.202 3.311 336 HA3 GLY 55 HA1 GLY 55 3.248 -10.248 4.718 337 H LEU 56 HN LEU 56 3.600 -6.768 4.852 338 HA LEU 56 HA LEU 56 0.986 -6.633 6.163 339 HB2 LEU 56 HB2 LEU 56 3.389 -4.822 6.242 340 HB3 LEU 56 HB1 LEU 56 1.837 -4.356 6.907 341 HG LEU 56 HG LEU 56 3.347 -6.807 7.799 342 HD11 LEU 56 HD11 LEU 56 3.363 -4.011 8.915 343 HD12 LEU 56 HD12 LEU 56 4.737 -4.937 8.306 344 HD13 LEU 56 HD13 LEU 56 3.930 -5.431 9.794 345 HD21 LEU 56 HD21 LEU 56 0.916 -6.785 8.220 346 HD22 LEU 56 HD22 LEU 56 1.105 -5.270 9.100 347 HD23 LEU 56 HD23 LEU 56 1.865 -6.741 9.705 348 H CYS 57 HN CYS 57 -0.621 -5.382 5.462 349 HA CYS 57 HA CYS 57 -0.245 -4.021 2.878 350 HB2 CYS 57 HB2 CYS 57 -1.856 -5.816 2.729 351 HB3 CYS 57 HB1 CYS 57 -2.704 -5.236 4.158 352 H TYR 58 HN TYR 58 -0.499 -1.868 2.802 353 HA TYR 58 HA TYR 58 -1.664 -0.569 5.179 354 HB2 TYR 58 HB2 TYR 58 0.418 0.605 3.336 355 HB3 TYR 58 HB1 TYR 58 -0.191 1.310 4.825 356 HD1 TYR 58 HD2 TYR 58 1.945 -1.321 3.402 357 HD2 TYR 58 HD1 TYR 58 0.654 0.630 6.957 358 HE1 TYR 58 HE2 TYR 58 3.791 -2.366 4.635 359 HE2 TYR 58 HE1 TYR 58 2.512 -0.400 8.198 360 HH TYR 58 HH TYR 58 5.110 -1.965 6.643 361 HA PRO 59 HA PRO 59 -4.428 0.737 1.760 362 HB2 PRO 59 HB2 PRO 59 -6.391 1.052 3.912 363 HB3 PRO 59 HB1 PRO 59 -6.469 0.010 2.486 364 HG2 PRO 59 HG2 PRO 59 -6.187 -0.986 4.976 365 HG3 PRO 59 HG1 PRO 59 -5.496 -1.768 3.540 366 HD2 PRO 59 HD2 PRO 59 -4.143 -0.061 5.590 367 HD3 PRO 59 HD1 PRO 59 -3.566 -1.542 4.795 368 H LYS 60 HN LYS 60 -3.563 2.753 1.378 369 HA LYS 60 HA LYS 60 -3.884 4.756 3.497 370 HB2 LYS 60 HB2 LYS 60 -1.963 4.596 1.187 371 HB3 LYS 60 HB1 LYS 60 -2.150 6.038 2.182 372 HG2 LYS 60 HG2 LYS 60 -1.370 4.946 4.110 373 HG3 LYS 60 HG1 LYS 60 -1.541 3.354 3.372 374 HD2 LYS 60 HD2 LYS 60 0.246 3.970 1.761 375 HD3 LYS 60 HD1 LYS 60 0.463 5.482 2.643 376 HE2 LYS 60 HE2 LYS 60 0.852 2.695 3.714 377 HE3 LYS 60 HE1 LYS 60 2.110 3.881 3.378 378 HZ1 LYS 60 HZ1 LYS 60 0.866 5.321 5.060 379 HZ2 LYS 60 HZ2 LYS 60 1.792 4.035 5.658 380 HZ3 LYS 60 HZ3 LYS 60 0.105 3.889 5.550 381 H ARG 61 HN ARG 61 -4.543 6.849 3.017 382 HA ARG 61 HA ARG 61 -6.273 7.040 0.639 383 HB2 ARG 61 HB2 ARG 61 -7.735 8.480 2.059 384 HB3 ARG 61 HB1 ARG 61 -7.636 6.812 2.610 385 HG2 ARG 61 HG2 ARG 61 -5.974 7.505 4.299 386 HG3 ARG 61 HG1 ARG 61 -6.175 9.179 3.774 387 HD2 ARG 61 HD2 ARG 61 -8.630 8.907 4.286 388 HD3 ARG 61 HD1 ARG 61 -8.214 7.378 5.061 389 HE ARG 61 HE ARG 61 -6.658 8.835 6.474 390 HH11 ARG 61 HH11 ARG 61 -9.720 9.932 5.113 391 HH12 ARG 61 HH12 ARG 61 -9.984 11.158 6.419 392 HH21 ARG 61 HH21 ARG 61 -6.959 10.348 8.150 393 HH22 ARG 61 HH22 ARG 61 -8.444 11.373 8.134 394 H GLY 62 HN GLY 62 -7.023 9.554 0.624 395 HA2 GLY 62 HA2 GLY 62 -6.440 11.696 0.082 396 HA3 GLY 62 HA1 GLY 62 -5.170 11.556 1.287 397 H LYS 63 HN LYS 63 -3.496 12.473 0.262 398 HA LYS 63 HA LYS 63 -2.854 11.620 -2.450 399 HB2 LYS 63 HB2 LYS 63 -1.390 13.471 -2.584 400 HB3 LYS 63 HB1 LYS 63 -2.805 14.064 -1.728 401 HG2 LYS 63 HG2 LYS 63 -1.668 14.021 0.359 402 HG3 LYS 63 HG1 LYS 63 -0.307 13.134 -0.333 403 HD2 LYS 63 HD2 LYS 63 -1.116 15.874 -1.285 404 HD3 LYS 63 HD1 LYS 63 0.028 15.627 0.034 405 HE2 LYS 63 HE2 LYS 63 0.365 14.420 -2.705 406 HE3 LYS 63 HE1 LYS 63 1.043 15.979 -2.244 407 HZ1 LYS 63 HZ1 LYS 63 2.154 14.724 -0.366 408 HZ2 LYS 63 HZ2 LYS 63 2.745 14.428 -1.922 409 HZ3 LYS 63 HZ3 LYS 63 1.726 13.300 -1.179 410 HA PRO 64 HA PRO 64 0.253 8.887 -0.946 411 HB2 PRO 64 HB2 PRO 64 1.800 8.584 -3.112 412 HB3 PRO 64 HB1 PRO 64 0.131 7.994 -3.076 413 HG2 PRO 64 HG2 PRO 64 1.224 10.452 -4.356 414 HG3 PRO 64 HG1 PRO 64 -0.026 9.338 -4.940 415 HD2 PRO 64 HD2 PRO 64 -0.537 11.758 -3.719 416 HD3 PRO 64 HD1 PRO 64 -1.683 10.408 -3.814 417 H GLN 65 HN GLN 65 2.634 8.582 -0.843 418 HA GLN 65 HA GLN 65 4.275 10.974 -0.960 419 HB2 GLN 65 HB2 GLN 65 3.387 9.669 1.566 420 HB3 GLN 65 HB1 GLN 65 5.087 10.108 1.461 421 HG2 GLN 65 HG2 GLN 65 4.448 12.421 0.970 422 HG3 GLN 65 HG1 GLN 65 2.747 11.974 1.108 423 HE21 GLN 65 HE21 GLN 65 1.866 11.659 3.120 424 HE22 GLN 65 HE22 GLN 65 2.691 12.040 4.588 425 H PHE 66 HN PHE 66 4.760 9.425 -2.718 426 HA PHE 66 HA PHE 66 5.850 6.898 -2.377 427 HB2 PHE 66 HB2 PHE 66 6.355 8.963 -4.517 428 HB3 PHE 66 HB1 PHE 66 6.878 7.287 -4.622 429 HD1 PHE 66 HD1 PHE 66 4.812 5.609 -3.964 430 HD2 PHE 66 HD2 PHE 66 4.500 9.462 -5.740 431 HE1 PHE 66 HE1 PHE 66 2.637 4.987 -4.926 432 HE2 PHE 66 HE2 PHE 66 2.323 8.848 -6.703 433 HZ PHE 66 HZ PHE 66 1.387 6.606 -6.300 434 H TYR 67 HN TYR 67 7.601 6.196 -1.483 435 HA TYR 67 HA TYR 67 10.075 7.739 -1.674 436 HB2 TYR 67 HB2 TYR 67 10.596 7.629 0.601 437 HB3 TYR 67 HB1 TYR 67 8.895 8.059 0.600 438 HD1 TYR 67 HD2 TYR 67 7.188 6.312 1.177 439 HD2 TYR 67 HD1 TYR 67 11.365 5.631 1.602 440 HE1 TYR 67 HE2 TYR 67 6.720 4.423 2.683 441 HE2 TYR 67 HE1 TYR 67 10.912 3.748 3.112 442 HH TYR 67 HH TYR 67 8.202 2.150 3.325 443 H LYS 68 HN LYS 68 11.976 6.382 -1.518 444 HA LYS 68 HA LYS 68 11.470 3.799 -2.701 445 HB2 LYS 68 HB2 LYS 68 13.246 5.431 -3.462 446 HB3 LYS 68 HB1 LYS 68 14.147 5.000 -2.017 447 HG2 LYS 68 HG2 LYS 68 14.332 2.720 -2.744 448 HG3 LYS 68 HG1 LYS 68 13.286 3.038 -4.130 449 HD2 LYS 68 HD2 LYS 68 15.934 4.399 -3.659 450 HD3 LYS 68 HD1 LYS 68 15.721 2.973 -4.677 451 HE2 LYS 68 HE2 LYS 68 14.188 4.206 -6.108 452 HE3 LYS 68 HE1 LYS 68 14.347 5.625 -5.078 453 HZ1 LYS 68 HZ1 LYS 68 16.573 4.360 -6.573 454 HZ2 LYS 68 HZ2 LYS 68 16.659 5.783 -5.662 455 HZ3 LYS 68 HZ3 LYS 68 15.729 5.736 -7.075 456 H TYR 69 HN TYR 69 11.662 1.852 -1.813 457 HA TYR 69 HA TYR 69 13.306 1.299 0.451 458 HB2 TYR 69 HB2 TYR 69 11.350 2.351 1.581 459 HB3 TYR 69 HB1 TYR 69 10.312 1.113 0.880 460 HD1 TYR 69 HD1 TYR 69 13.356 1.479 3.003 461 HD2 TYR 69 HD2 TYR 69 9.911 -0.835 2.081 462 HE1 TYR 69 HE1 TYR 69 13.848 0.003 4.903 463 HE2 TYR 69 HE2 TYR 69 10.388 -2.322 3.979 464 HH TYR 69 HH TYR 69 12.961 -1.598 6.269 465 H LEU 70 HN LEU 70 13.845 -0.816 0.457 466 HA LEU 70 HA LEU 70 12.841 -2.458 -1.674 467 HB2 LEU 70 HB2 LEU 70 15.232 -2.438 -0.972 468 HB3 LEU 70 HB1 LEU 70 14.755 -3.188 0.540 469 HG LEU 70 HG LEU 70 13.807 -5.089 -0.865 470 HD11 LEU 70 HD11 LEU 70 14.790 -5.359 -3.093 471 HD12 LEU 70 HD12 LEU 70 15.502 -3.750 -2.970 472 HD13 LEU 70 HD13 LEU 70 13.750 -3.940 -3.005 473 HD21 LEU 70 HD21 LEU 70 16.034 -6.119 -1.149 474 HD22 LEU 70 HD22 LEU 70 15.824 -5.348 0.422 475 HD23 LEU 70 HD23 LEU 70 16.772 -4.549 -0.833 476 H GLY 71 HN GLY 71 10.916 -3.383 -1.456 477 HA2 GLY 71 HA2 GLY 71 9.945 -5.426 -0.378 478 HA3 GLY 71 HA1 GLY 71 10.254 -4.606 1.147 479 H ASP 72 HN ASP 72 9.532 -2.009 -0.075 480 HA ASP 72 HA ASP 72 6.677 -2.197 0.405 481 HB2 ASP 72 HB2 ASP 72 8.622 0.077 0.138 482 HB3 ASP 72 HB1 ASP 72 6.894 0.374 0.011 483 H MET 73 HN MET 73 5.323 -2.582 -1.203 484 HA MET 73 HA MET 73 5.992 -1.506 -3.864 485 HB2 MET 73 HB2 MET 73 4.739 -4.148 -3.120 486 HB3 MET 73 HB1 MET 73 4.626 -3.475 -4.739 487 HG2 MET 73 HG2 MET 73 6.996 -3.552 -5.016 488 HG3 MET 73 HG1 MET 73 7.227 -4.002 -3.329 489 HE1 MET 73 HE1 MET 73 5.092 -5.204 -6.460 490 HE2 MET 73 HE2 MET 73 4.153 -5.567 -5.013 491 HE3 MET 73 HE3 MET 73 4.815 -6.880 -5.985 492 H THR 74 HN THR 74 4.764 0.275 -3.956 493 HA THR 74 HA THR 74 2.007 0.187 -3.033 494 HB THR 74 HB THR 74 3.488 2.530 -4.229 495 HG1 THR 74 HG1 THR 74 4.586 1.890 -2.382 496 HG21 THR 74 HG21 THR 74 1.067 2.800 -4.201 497 HG22 THR 74 HG22 THR 74 1.808 3.852 -2.995 498 HG23 THR 74 HG23 THR 74 1.017 2.357 -2.494 499 H GLY 75 HN GLY 75 0.280 0.134 -4.303 500 HA2 GLY 75 HA2 GLY 75 0.699 0.326 -7.223 501 HA3 GLY 75 HA1 GLY 75 -0.356 -0.882 -6.495 502 H SER 76 HN SER 76 -1.285 0.914 -8.423 503 HA SER 76 HA SER 76 -2.522 3.181 -7.249 504 HB2 SER 76 HB2 SER 76 -3.958 2.996 -9.416 505 HB3 SER 76 HB1 SER 76 -2.234 3.343 -9.566 506 HG SER 76 HG SER 76 -3.003 1.662 -10.981 507 H ARG 77 HN ARG 77 -4.314 0.566 -8.812 508 HA ARG 77 HA ARG 77 -5.743 -0.297 -6.546 509 HB2 ARG 77 HB2 ARG 77 -6.609 2.143 -7.010 510 HB3 ARG 77 HB1 ARG 77 -7.512 1.367 -8.302 511 HG2 ARG 77 HG2 ARG 77 -8.778 0.088 -6.812 512 HG3 ARG 77 HG1 ARG 77 -7.648 0.359 -5.483 513 HD2 ARG 77 HD2 ARG 77 -9.717 1.665 -5.228 514 HD3 ARG 77 HD1 ARG 77 -8.292 2.693 -5.375 515 HE ARG 77 HE ARG 77 -9.713 2.173 -7.841 516 HH11 ARG 77 HH11 ARG 77 -9.314 4.313 -5.065 517 HH12 ARG 77 HH12 ARG 77 -10.027 5.731 -5.931 518 HH21 ARG 77 HH21 ARG 77 -10.598 3.942 -8.960 519 HH22 ARG 77 HH22 ARG 77 -10.733 5.528 -8.108 520 H THR 78 HN THR 78 -5.770 0.274 -10.020 521 HA THR 78 HA THR 78 -6.273 -2.527 -10.499 522 HB THR 78 HB THR 78 -8.565 -1.619 -10.289 523 HG1 THR 78 HG1 THR 78 -8.241 -2.106 -13.047 524 HG21 THR 78 HG21 THR 78 -7.775 0.145 -12.606 525 HG22 THR 78 HG22 THR 78 -8.203 0.668 -10.977 526 HG23 THR 78 HG23 THR 78 -9.419 -0.078 -12.011 527 H CYS 79 HN CYS 79 -5.867 -3.117 -12.724 528 HA CYS 79 HA CYS 79 -4.319 -1.069 -14.173 529 HB2 CYS 79 HB2 CYS 79 -3.800 -4.044 -13.984 530 HB3 CYS 79 HB1 CYS 79 -2.913 -2.936 -15.028 531 H1 GAL 83 H1 GTP 1 6.139 2.157 8.379 532 H2 GAL 83 H2 GTP 1 5.509 4.551 6.574 533 H3 GAL 83 H3 GTP 1 3.745 2.430 7.866 534 H4 GAL 83 H4 GTP 1 3.338 1.790 5.527 535 H5 GAL 83 H5 GTP 1 5.127 0.713 6.811 536 H61 GAL 83 H61 GTP 1 6.369 1.166 4.103 537 H62 GAL 83 H62 GTP 1 4.793 0.385 4.224 538 HO2 GAL 83 HO2 GTP 1 4.913 3.963 9.328 539 HO3 GAL 83 HO3 GTP 1 3.031 4.734 7.579 540 HO4 GAL 83 HO4 GTP 1 5.514 3.275 4.631 541 HO6 GAL 83 HO6 GTP 1 6.841 -0.921 4.273 542 H1 NAG 84 H1 GCP 2 10.167 3.135 4.789 543 H2 NAG 84 H2 GCP 2 10.226 3.152 7.853 544 H3 NAG 84 H3 GCP 2 8.029 3.657 5.816 545 H4 NAG 84 H4 GCP 2 9.492 5.433 7.848 546 H5 NAG 84 H5 GCP 2 9.436 5.383 4.792 547 H61 NAG 84 H61 GCP 2 10.682 7.277 6.789 548 H62 NAG 84 H62 GCP 2 9.703 7.617 5.358 549 H81 NAG 84 HC23 GCP 2 9.820 -1.367 7.416 550 H82 NAG 84 HC21 GCP 2 8.430 -1.001 8.437 551 H83 NAG 84 HC22 GCP 2 8.350 -0.704 6.702 552 HN2 NAG 84 HN2 GCP 2 8.919 1.247 5.954 553 HO1 NAG 84 HO1 GCP 2 11.698 1.694 5.359 554 HO4 NAG 84 HO4 GCP 2 7.436 6.201 7.637 555 HO6 NAG 84 HO6 GCP 2 11.986 6.209 4.771 Start of MODEL 3 1 H CYS 10 HT1 CYS 10 -0.611 0.721 -15.599 2 HA CYS 10 HA CYS 10 -1.662 2.693 -13.667 3 HB2 CYS 10 HB2 CYS 10 -2.404 0.714 -12.426 4 HB3 CYS 10 HB1 CYS 10 -3.117 0.745 -14.031 5 H VAL 11 HN VAL 11 -0.561 2.871 -11.717 6 HA VAL 11 HA VAL 11 2.220 2.155 -11.803 7 HB VAL 11 HB VAL 11 0.586 3.528 -9.661 8 HG11 VAL 11 HG11 VAL 11 2.496 2.308 -8.684 9 HG12 VAL 11 HG12 VAL 11 2.676 4.057 -8.547 10 HG13 VAL 11 HG13 VAL 11 3.581 3.171 -9.773 11 HG21 VAL 11 HG21 VAL 11 2.678 4.634 -11.531 12 HG22 VAL 11 HG22 VAL 11 1.690 5.540 -10.384 13 HG23 VAL 11 HG23 VAL 11 0.937 4.770 -11.780 14 H HIS 12 HN HIS 12 3.106 0.371 -11.009 15 HA HIS 12 HA HIS 12 1.943 -0.979 -8.733 16 HB2 HIS 12 HB2 HIS 12 1.779 -3.167 -9.814 17 HB3 HIS 12 HB1 HIS 12 0.722 -2.011 -10.610 18 HD1 HIS 12 HD1 HIS 12 3.258 -4.496 -11.319 19 HD2 HIS 12 HD2 HIS 12 1.927 -0.991 -13.117 20 HE1 HIS 12 HE1 HIS 12 4.107 -4.580 -13.683 21 HE2 HIS 12 HE2 HIS 12 3.370 -2.408 -14.721 22 H THR 13 HN THR 13 3.406 -2.238 -7.628 23 HA THR 13 HA THR 13 5.425 -2.908 -6.856 24 HB THR 13 HB THR 13 6.452 -2.945 -9.692 25 HG1 THR 13 HG1 THR 13 5.538 -5.160 -9.667 26 HG21 THR 13 HG21 THR 13 7.721 -4.882 -8.904 27 HG22 THR 13 HG22 THR 13 6.961 -4.753 -7.317 28 HG23 THR 13 HG23 THR 13 8.044 -3.480 -7.884 29 H GLY 14 HN GLY 14 7.565 -1.798 -9.208 30 HA2 GLY 14 HA2 GLY 14 8.857 0.082 -9.449 31 HA3 GLY 14 HA1 GLY 14 7.663 0.966 -8.519 32 H ASN 15 HN ASN 15 8.491 -1.611 -6.667 33 HA ASN 15 HA ASN 15 9.482 -1.699 -4.622 34 HB2 ASN 15 HB2 ASN 15 11.998 -1.508 -4.717 35 HB3 ASN 15 HB1 ASN 15 11.275 -2.641 -5.846 36 HD21 ASN 15 HD21 ASN 15 12.792 0.497 -5.519 37 HD22 ASN 15 HD22 ASN 15 13.275 0.642 -7.173 38 H ILE 16 HN ILE 16 8.137 0.576 -4.725 39 HA ILE 16 HA ILE 16 9.791 2.419 -3.164 40 HB ILE 16 HB ILE 16 8.029 3.183 -5.501 41 HG12 ILE 16 HG12 ILE 16 10.402 2.680 -5.993 42 HG13 ILE 16 HG11 ILE 16 9.990 4.360 -6.311 43 HG21 ILE 16 HG21 ILE 16 7.474 4.595 -3.576 44 HG22 ILE 16 HG22 ILE 16 8.259 5.504 -4.867 45 HG23 ILE 16 HG23 ILE 16 9.172 5.045 -3.429 46 HD11 ILE 16 HD11 ILE 16 12.139 4.274 -5.279 47 HD12 ILE 16 HD12 ILE 16 11.522 3.280 -3.959 48 HD13 ILE 16 HD13 ILE 16 10.999 4.957 -4.119 49 H GLY 17 HN GLY 17 8.755 3.106 -1.358 50 HA2 GLY 17 HA2 GLY 17 6.023 2.115 -0.951 51 HA3 GLY 17 HA1 GLY 17 7.146 2.601 0.313 52 H SER 18 HN SER 18 4.588 3.496 0.411 53 HA SER 18 HA SER 18 4.894 6.330 -0.314 54 HB2 SER 18 HB2 SER 18 2.310 4.747 -0.205 55 HB3 SER 18 HB1 SER 18 2.459 6.459 -0.605 56 HG SER 18 HG SER 18 3.597 4.296 -2.064 57 H LYS 19 HN LYS 19 5.288 7.431 1.499 58 HA LYS 19 HA LYS 19 4.402 6.472 4.078 59 HB2 LYS 19 HB2 LYS 19 6.626 7.586 3.660 60 HB3 LYS 19 HB1 LYS 19 5.755 9.094 3.420 61 HG2 LYS 19 HG2 LYS 19 4.776 8.603 5.776 62 HG3 LYS 19 HG1 LYS 19 6.158 7.518 5.924 63 HD2 LYS 19 HD2 LYS 19 6.744 9.654 6.860 64 HD3 LYS 19 HD1 LYS 19 7.653 9.421 5.367 65 HE2 LYS 19 HE2 LYS 19 6.727 11.709 5.622 66 HE3 LYS 19 HE1 LYS 19 6.168 10.888 4.168 67 HZ1 LYS 19 HZ1 LYS 19 4.652 11.284 6.694 68 HZ2 LYS 19 HZ2 LYS 19 4.117 10.311 5.415 69 HZ3 LYS 19 HZ3 LYS 19 4.322 11.973 5.182 70 H ALA 20 HN ALA 20 2.154 6.809 2.723 71 HA ALA 20 HA ALA 20 1.065 9.463 3.304 72 HB1 ALA 20 HB1 ALA 20 -0.942 8.599 2.065 73 HB2 ALA 20 HB2 ALA 20 -0.019 7.134 1.725 74 HB3 ALA 20 HB3 ALA 20 0.539 8.693 1.115 75 H GLN 21 HN GLN 21 -1.326 9.345 4.098 76 HA GLN 21 HA GLN 21 -1.243 8.098 6.675 77 HB2 GLN 21 HB2 GLN 21 -2.251 10.323 6.339 78 HB3 GLN 21 HB1 GLN 21 -3.488 9.606 5.317 79 HG2 GLN 21 HG2 GLN 21 -3.953 8.133 7.429 80 HG3 GLN 21 HG1 GLN 21 -3.144 9.451 8.271 81 HE21 GLN 21 HE21 GLN 21 -5.905 8.580 8.453 82 HE22 GLN 21 HE22 GLN 21 -6.876 9.948 8.022 83 H THR 22 HN THR 22 -2.068 6.197 7.263 84 HA THR 22 HA THR 22 -3.369 4.520 5.322 85 HB THR 22 HB THR 22 -2.931 3.923 8.254 86 HG1 THR 22 HG1 THR 22 -0.884 3.338 7.757 87 HG21 THR 22 HG21 THR 22 -2.876 1.599 7.499 88 HG22 THR 22 HG22 THR 22 -3.134 2.124 5.836 89 HG23 THR 22 HG23 THR 22 -4.397 2.365 7.042 90 H ILE 23 HN ILE 23 -5.506 3.895 5.314 91 HA ILE 23 HA ILE 23 -7.395 5.706 6.403 92 HB ILE 23 HB ILE 23 -7.896 2.967 5.230 93 HG12 ILE 23 HG12 ILE 23 -8.039 5.643 3.842 94 HG13 ILE 23 HG11 ILE 23 -6.614 4.612 3.793 95 HG21 ILE 23 HG21 ILE 23 -9.829 3.754 6.446 96 HG22 ILE 23 HG22 ILE 23 -10.142 3.888 4.716 97 HG23 ILE 23 HG23 ILE 23 -9.733 5.327 5.651 98 HD11 ILE 23 HD11 ILE 23 -7.890 2.868 2.703 99 HD12 ILE 23 HD12 ILE 23 -8.000 4.380 1.799 100 HD13 ILE 23 HD13 ILE 23 -9.349 3.852 2.804 101 H GLY 24 HN GLY 24 -6.510 2.369 7.293 102 HA2 GLY 24 HA2 GLY 24 -7.714 2.893 9.912 103 HA3 GLY 24 HA1 GLY 24 -8.243 1.477 9.020 104 H GLU 25 HN GLU 25 -7.546 0.049 10.537 105 HA GLU 25 HA GLU 25 -4.929 0.022 11.631 106 HB2 GLU 25 HB2 GLU 25 -6.559 -1.044 12.926 107 HB3 GLU 25 HB1 GLU 25 -7.229 -1.903 11.547 108 HG2 GLU 25 HG2 GLU 25 -4.616 -2.825 11.745 109 HG3 GLU 25 HG1 GLU 25 -5.186 -2.712 13.409 110 H VAL 26 HN VAL 26 -3.120 -1.072 11.031 111 HA VAL 26 HA VAL 26 -2.851 -1.905 8.315 112 HB VAL 26 HB VAL 26 -0.917 -2.311 10.607 113 HG11 VAL 26 HG11 VAL 26 -0.455 -3.717 8.650 114 HG12 VAL 26 HG12 VAL 26 0.788 -2.487 8.880 115 HG13 VAL 26 HG13 VAL 26 -0.437 -2.279 7.630 116 HG21 VAL 26 HG21 VAL 26 -1.438 0.035 10.397 117 HG22 VAL 26 HG22 VAL 26 -1.163 -0.028 8.656 118 HG23 VAL 26 HG23 VAL 26 0.185 -0.264 9.770 119 H LYS 27 HN LYS 27 -3.257 -3.878 7.498 120 HA LYS 27 HA LYS 27 -3.477 -6.124 9.392 121 HB2 LYS 27 HB2 LYS 27 -4.950 -6.059 6.785 122 HB3 LYS 27 HB1 LYS 27 -5.334 -6.952 8.252 123 HG2 LYS 27 HG2 LYS 27 -6.007 -4.904 9.355 124 HG3 LYS 27 HG1 LYS 27 -5.555 -3.964 7.933 125 HD2 LYS 27 HD2 LYS 27 -7.222 -5.482 6.682 126 HD3 LYS 27 HD1 LYS 27 -7.834 -5.873 8.291 127 HE2 LYS 27 HE2 LYS 27 -7.868 -3.265 6.831 128 HE3 LYS 27 HE1 LYS 27 -9.180 -4.094 7.664 129 HZ1 LYS 27 HZ1 LYS 27 -6.982 -2.493 8.816 130 HZ2 LYS 27 HZ2 LYS 27 -7.805 -3.631 9.764 131 HZ3 LYS 27 HZ3 LYS 27 -8.652 -2.341 9.065 132 H ARG 28 HN ARG 28 -2.674 -8.108 8.793 133 HA ARG 28 HA ARG 28 -0.571 -8.036 6.805 134 HB2 ARG 28 HB2 ARG 28 -0.216 -9.075 9.036 135 HB3 ARG 28 HB1 ARG 28 -1.429 -10.284 8.643 136 HG2 ARG 28 HG2 ARG 28 -0.064 -11.229 6.947 137 HG3 ARG 28 HG1 ARG 28 1.074 -9.882 7.024 138 HD2 ARG 28 HD2 ARG 28 1.832 -11.987 8.167 139 HD3 ARG 28 HD1 ARG 28 1.842 -10.541 9.174 140 HE ARG 28 HE ARG 28 -0.563 -12.142 9.350 141 HH11 ARG 28 HH11 ARG 28 2.646 -11.493 10.638 142 HH12 ARG 28 HH12 ARG 28 2.272 -12.213 12.246 143 HH21 ARG 28 HH21 ARG 28 -1.088 -13.049 11.385 144 HH22 ARG 28 HH22 ARG 28 0.171 -13.064 12.677 145 H ALA 29 HN ALA 29 -0.644 -8.951 4.844 146 HA ALA 29 HA ALA 29 -3.100 -10.422 4.134 147 HB1 ALA 29 HB1 ALA 29 -2.915 -8.232 3.045 148 HB2 ALA 29 HB2 ALA 29 -2.847 -9.554 1.879 149 HB3 ALA 29 HB3 ALA 29 -1.368 -8.718 2.347 150 H SER 30 HN SER 30 -2.492 -11.549 1.808 151 HA SER 30 HA SER 30 -0.198 -13.276 2.435 152 HB2 SER 30 HB2 SER 30 -2.645 -13.922 0.775 153 HB3 SER 30 HB1 SER 30 -1.349 -15.041 1.196 154 HG SER 30 HG SER 30 -2.159 -15.264 3.135 155 H SER 31 HN SER 31 -1.522 -11.114 0.090 156 HA SER 31 HA SER 31 0.865 -11.318 -1.498 157 HB2 SER 31 HB2 SER 31 -0.296 -11.850 -3.604 158 HB3 SER 31 HB1 SER 31 -0.480 -13.158 -2.436 159 HG SER 31 HG SER 31 -2.527 -12.906 -2.914 160 H LEU 32 HN LEU 32 0.469 -9.868 -3.586 161 HA LEU 32 HA LEU 32 -0.132 -7.261 -2.645 162 HB2 LEU 32 HB2 LEU 32 1.522 -7.734 -4.425 163 HB3 LEU 32 HB1 LEU 32 0.220 -8.237 -5.483 164 HG LEU 32 HG LEU 32 -0.707 -5.875 -5.218 165 HD11 LEU 32 HD11 LEU 32 2.068 -5.445 -4.130 166 HD12 LEU 32 HD12 LEU 32 0.548 -5.175 -3.283 167 HD13 LEU 32 HD13 LEU 32 0.982 -4.161 -4.658 168 HD21 LEU 32 HD21 LEU 32 0.815 -4.987 -6.930 169 HD22 LEU 32 HD22 LEU 32 0.342 -6.653 -7.262 170 HD23 LEU 32 HD23 LEU 32 1.938 -6.304 -6.598 171 H SER 33 HN SER 33 -1.802 -9.579 -4.719 172 HA SER 33 HA SER 33 -4.002 -7.943 -5.365 173 HB2 SER 33 HB2 SER 33 -3.883 -10.966 -5.180 174 HB3 SER 33 HB1 SER 33 -5.106 -10.027 -6.036 175 HG SER 33 HG SER 33 -2.342 -10.257 -6.638 176 H GLU 34 HN GLU 34 -3.302 -10.094 -2.680 177 HA GLU 34 HA GLU 34 -5.860 -10.074 -1.490 178 HB2 GLU 34 HB2 GLU 34 -3.788 -11.562 -0.998 179 HB3 GLU 34 HB1 GLU 34 -3.300 -10.263 0.077 180 HG2 GLU 34 HG2 GLU 34 -4.416 -11.942 1.351 181 HG3 GLU 34 HG1 GLU 34 -5.445 -10.511 1.280 182 H CYS 35 HN CYS 35 -3.066 -7.938 -1.251 183 HA CYS 35 HA CYS 35 -4.086 -6.316 0.850 184 HB2 CYS 35 HB2 CYS 35 -1.689 -6.373 0.280 185 HB3 CYS 35 HB1 CYS 35 -2.044 -5.667 -1.292 186 H ARG 36 HN ARG 36 -4.190 -6.177 -2.656 187 HA ARG 36 HA ARG 36 -5.360 -3.676 -3.016 188 HB2 ARG 36 HB2 ARG 36 -4.442 -4.988 -4.850 189 HB3 ARG 36 HB1 ARG 36 -5.685 -6.210 -4.632 190 HG2 ARG 36 HG2 ARG 36 -7.375 -4.428 -5.186 191 HG3 ARG 36 HG1 ARG 36 -6.014 -3.400 -5.645 192 HD2 ARG 36 HD2 ARG 36 -6.929 -4.503 -7.600 193 HD3 ARG 36 HD1 ARG 36 -5.302 -5.094 -7.269 194 HE ARG 36 HE ARG 36 -7.638 -6.618 -6.341 195 HH11 ARG 36 HH11 ARG 36 -4.765 -6.348 -8.355 196 HH12 ARG 36 HH12 ARG 36 -4.730 -8.103 -8.754 197 HH21 ARG 36 HH21 ARG 36 -7.653 -8.844 -6.831 198 HH22 ARG 36 HH22 ARG 36 -6.373 -9.498 -7.923 199 H ALA 37 HN ALA 37 -6.808 -6.806 -2.319 200 HA ALA 37 HA ALA 37 -9.499 -6.146 -2.692 201 HB1 ALA 37 HB1 ALA 37 -8.684 -8.442 -2.445 202 HB2 ALA 37 HB2 ALA 37 -10.001 -8.093 -1.325 203 HB3 ALA 37 HB3 ALA 37 -8.337 -8.133 -0.743 204 H ARG 38 HN ARG 38 -7.341 -5.464 -0.015 205 HA ARG 38 HA ARG 38 -9.431 -4.820 1.841 206 HB2 ARG 38 HB2 ARG 38 -6.463 -4.574 1.812 207 HB3 ARG 38 HB1 ARG 38 -7.347 -3.533 2.916 208 HG2 ARG 38 HG2 ARG 38 -6.807 -5.409 4.187 209 HG3 ARG 38 HG1 ARG 38 -8.494 -5.658 3.734 210 HD2 ARG 38 HD2 ARG 38 -7.511 -6.959 1.726 211 HD3 ARG 38 HD1 ARG 38 -6.035 -7.011 2.689 212 HE ARG 38 HE ARG 38 -7.849 -7.920 4.426 213 HH11 ARG 38 HH11 ARG 38 -7.161 -8.731 1.086 214 HH12 ARG 38 HH12 ARG 38 -7.742 -10.435 1.248 215 HH21 ARG 38 HH21 ARG 38 -8.607 -10.060 4.694 216 HH22 ARG 38 HH22 ARG 38 -8.565 -11.174 3.277 217 H CYS 39 HN CYS 39 -7.411 -3.033 -0.407 218 HA CYS 39 HA CYS 39 -8.422 -0.476 0.402 219 HB2 CYS 39 HB2 CYS 39 -6.475 -1.489 -1.536 220 HB3 CYS 39 HB1 CYS 39 -7.379 -0.090 -2.110 221 H GLN 40 HN GLN 40 -9.439 -2.958 -1.743 222 HA GLN 40 HA GLN 40 -11.034 -1.378 -3.476 223 HB2 GLN 40 HB2 GLN 40 -10.899 -4.292 -2.803 224 HB3 GLN 40 HB1 GLN 40 -12.250 -3.686 -3.749 225 HG2 GLN 40 HG2 GLN 40 -10.702 -2.814 -5.418 226 HG3 GLN 40 HG1 GLN 40 -9.341 -3.401 -4.465 227 HE21 GLN 40 HE21 GLN 40 -12.050 -4.310 -6.455 228 HE22 GLN 40 HE22 GLN 40 -11.535 -5.933 -6.756 229 H ALA 41 HN ALA 41 -11.408 -2.454 -0.256 230 HA ALA 41 HA ALA 41 -14.299 -2.130 -0.251 231 HB1 ALA 41 HB1 ALA 41 -12.383 -2.851 1.968 232 HB2 ALA 41 HB2 ALA 41 -13.381 -3.966 1.034 233 HB3 ALA 41 HB3 ALA 41 -14.140 -2.799 2.115 234 H GLU 42 HN GLU 42 -11.763 -0.076 -0.199 235 HA GLU 42 HA GLU 42 -13.228 1.870 1.444 236 HB2 GLU 42 HB2 GLU 42 -10.342 1.155 1.469 237 HB3 GLU 42 HB1 GLU 42 -10.763 2.848 1.677 238 HG2 GLU 42 HG2 GLU 42 -11.618 0.534 3.394 239 HG3 GLU 42 HG1 GLU 42 -10.534 1.855 3.830 240 H LYS 43 HN LYS 43 -14.063 3.331 0.145 241 HA LYS 43 HA LYS 43 -13.163 3.818 -2.502 242 HB2 LYS 43 HB2 LYS 43 -14.862 5.544 -2.575 243 HB3 LYS 43 HB1 LYS 43 -15.505 4.124 -1.765 244 HG2 LYS 43 HG2 LYS 43 -15.093 5.200 0.403 245 HG3 LYS 43 HG1 LYS 43 -14.522 6.638 -0.442 246 HD2 LYS 43 HD2 LYS 43 -16.783 7.047 0.147 247 HD3 LYS 43 HD1 LYS 43 -16.762 6.719 -1.586 248 HE2 LYS 43 HE2 LYS 43 -18.610 5.542 -0.652 249 HE3 LYS 43 HE1 LYS 43 -17.377 4.354 -1.055 250 HZ1 LYS 43 HZ1 LYS 43 -17.590 5.483 1.665 251 HZ2 LYS 43 HZ2 LYS 43 -16.832 4.051 1.172 252 HZ3 LYS 43 HZ3 LYS 43 -18.519 4.151 1.188 253 H GLU 44 HN GLU 44 -11.957 4.887 0.440 254 HA GLU 44 HA GLU 44 -11.047 7.467 -0.527 255 HB2 GLU 44 HB2 GLU 44 -10.850 6.013 2.086 256 HB3 GLU 44 HB1 GLU 44 -9.809 7.392 1.764 257 HG2 GLU 44 HG2 GLU 44 -11.850 8.739 1.305 258 HG3 GLU 44 HG1 GLU 44 -12.815 7.360 1.827 259 H CYS 45 HN CYS 45 -9.975 4.275 -0.702 260 HA CYS 45 HA CYS 45 -7.157 4.962 -0.599 261 HB2 CYS 45 HB2 CYS 45 -7.819 2.794 0.310 262 HB3 CYS 45 HB1 CYS 45 -8.488 2.325 -1.249 263 H SER 46 HN SER 46 -6.240 5.892 -2.256 264 HA SER 46 HA SER 46 -7.106 5.154 -4.970 265 HB2 SER 46 HB2 SER 46 -5.785 7.393 -5.453 266 HB3 SER 46 HB1 SER 46 -7.446 7.443 -4.859 267 HG SER 46 HG SER 46 -6.384 8.779 -3.517 268 H HIS 47 HN HIS 47 -4.887 4.375 -2.789 269 HA HIS 47 HA HIS 47 -3.054 3.251 -4.622 270 HB2 HIS 47 HB2 HIS 47 -1.031 4.539 -3.616 271 HB3 HIS 47 HB1 HIS 47 -1.955 5.294 -4.907 272 HD1 HIS 47 HD1 HIS 47 -2.746 7.596 -4.473 273 HD2 HIS 47 HD2 HIS 47 -1.835 5.598 -0.945 274 HE1 HIS 47 HE1 HIS 47 -3.013 9.296 -2.647 275 HE2 HIS 47 HE2 HIS 47 -2.667 8.013 -0.507 276 H TYR 48 HN TYR 48 -2.340 1.445 -3.669 277 HA TYR 48 HA TYR 48 -2.337 1.393 -0.728 278 HB2 TYR 48 HB2 TYR 48 -2.823 -1.008 -0.848 279 HB3 TYR 48 HB1 TYR 48 -4.071 -0.056 -1.635 280 HD1 TYR 48 HD2 TYR 48 -4.192 -0.028 -4.142 281 HD2 TYR 48 HD1 TYR 48 -1.575 -2.646 -2.032 282 HE1 TYR 48 HE2 TYR 48 -3.973 -1.425 -6.152 283 HE2 TYR 48 HE1 TYR 48 -1.358 -4.047 -4.038 284 HH TYR 48 HH TYR 48 -2.218 -3.064 -7.069 285 H THR 49 HN THR 49 -0.616 0.578 0.342 286 HA THR 49 HA THR 49 1.728 -0.100 -1.299 287 HB THR 49 HB THR 49 1.754 0.996 1.520 288 HG1 THR 49 HG1 THR 49 1.765 2.272 -1.001 289 HG21 THR 49 HG21 THR 49 4.113 1.472 1.022 290 HG22 THR 49 HG22 THR 49 3.923 0.729 -0.567 291 HG23 THR 49 HG23 THR 49 3.759 -0.251 0.890 292 H TYR 50 HN TYR 50 2.325 -2.161 -1.197 293 HA TYR 50 HA TYR 50 1.587 -3.704 1.199 294 HB2 TYR 50 HB2 TYR 50 0.432 -4.506 -0.795 295 HB3 TYR 50 HB1 TYR 50 1.960 -4.636 -1.657 296 HD1 TYR 50 HD1 TYR 50 0.507 -5.855 1.573 297 HD2 TYR 50 HD2 TYR 50 2.781 -6.762 -1.907 298 HE1 TYR 50 HE1 TYR 50 0.735 -8.182 2.335 299 HE2 TYR 50 HE2 TYR 50 3.014 -9.089 -1.155 300 HH TYR 50 HH TYR 50 2.839 -10.451 0.699 301 H ASN 51 HN ASN 51 3.235 -4.182 2.451 302 HA ASN 51 HA ASN 51 5.951 -4.091 1.400 303 HB2 ASN 51 HB2 ASN 51 5.517 -2.964 3.523 304 HB3 ASN 51 HB1 ASN 51 4.905 -4.459 4.219 305 HD21 ASN 51 HD21 ASN 51 7.729 -2.742 3.122 306 HD22 ASN 51 HD22 ASN 51 8.885 -3.757 3.932 307 H VAL 52 HN VAL 52 6.523 -5.886 0.353 308 HA VAL 52 HA VAL 52 5.432 -8.457 0.894 309 HB VAL 52 HB VAL 52 7.099 -9.319 -0.699 310 HG11 VAL 52 HG11 VAL 52 4.973 -8.328 -1.474 311 HG12 VAL 52 HG12 VAL 52 6.277 -8.167 -2.650 312 HG13 VAL 52 HG13 VAL 52 5.795 -6.780 -1.670 313 HG21 VAL 52 HG21 VAL 52 8.098 -6.479 -0.874 314 HG22 VAL 52 HG22 VAL 52 8.682 -7.872 -1.785 315 HG23 VAL 52 HG23 VAL 52 8.936 -7.786 -0.042 316 H LYS 53 HN LYS 53 7.964 -6.734 2.370 317 HA LYS 53 HA LYS 53 9.656 -8.901 3.072 318 HB2 LYS 53 HB2 LYS 53 9.299 -6.119 4.153 319 HB3 LYS 53 HB1 LYS 53 10.414 -7.257 4.896 320 HG2 LYS 53 HG2 LYS 53 10.543 -6.593 1.975 321 HG3 LYS 53 HG1 LYS 53 11.362 -5.618 3.198 322 HD2 LYS 53 HD2 LYS 53 12.588 -7.594 3.952 323 HD3 LYS 53 HD1 LYS 53 11.760 -8.575 2.742 324 HE2 LYS 53 HE2 LYS 53 12.790 -7.337 0.957 325 HE3 LYS 53 HE1 LYS 53 13.493 -6.193 2.100 326 HZ1 LYS 53 HZ1 LYS 53 14.984 -7.782 2.880 327 HZ2 LYS 53 HZ2 LYS 53 14.979 -8.030 1.207 328 HZ3 LYS 53 HZ3 LYS 53 14.121 -9.075 2.220 329 H SER 54 HN SER 54 6.965 -7.308 4.727 330 HA SER 54 HA SER 54 7.062 -9.433 6.763 331 HB2 SER 54 HB2 SER 54 5.564 -6.848 7.082 332 HB3 SER 54 HB1 SER 54 6.203 -7.918 8.332 333 HG SER 54 HG SER 54 7.607 -6.134 6.641 334 H GLY 55 HN GLY 55 5.273 -8.237 4.131 335 HA2 GLY 55 HA2 GLY 55 3.361 -9.136 3.165 336 HA3 GLY 55 HA1 GLY 55 3.211 -10.212 4.550 337 H LEU 56 HN LEU 56 3.579 -6.812 5.026 338 HA LEU 56 HA LEU 56 0.917 -6.719 6.199 339 HB2 LEU 56 HB2 LEU 56 3.246 -4.810 6.350 340 HB3 LEU 56 HB1 LEU 56 1.690 -4.513 7.101 341 HG LEU 56 HG LEU 56 3.470 -6.860 7.763 342 HD11 LEU 56 HD11 LEU 56 3.048 -4.277 9.260 343 HD12 LEU 56 HD12 LEU 56 4.520 -4.752 8.409 344 HD13 LEU 56 HD13 LEU 56 3.985 -5.662 9.823 345 HD21 LEU 56 HD21 LEU 56 1.144 -7.324 8.204 346 HD22 LEU 56 HD22 LEU 56 0.959 -5.783 9.042 347 HD23 LEU 56 HD23 LEU 56 1.982 -7.045 9.727 348 H CYS 57 HN CYS 57 -0.714 -5.550 5.433 349 HA CYS 57 HA CYS 57 -0.295 -4.155 2.887 350 HB2 CYS 57 HB2 CYS 57 -1.952 -5.951 2.846 351 HB3 CYS 57 HB1 CYS 57 -2.814 -5.219 4.193 352 H TYR 58 HN TYR 58 -0.512 -1.988 2.768 353 HA TYR 58 HA TYR 58 -1.632 -0.618 5.125 354 HB2 TYR 58 HB2 TYR 58 0.483 0.445 3.247 355 HB3 TYR 58 HB1 TYR 58 -0.115 1.226 4.704 356 HD1 TYR 58 HD2 TYR 58 2.041 -1.403 3.364 357 HD2 TYR 58 HD1 TYR 58 0.610 0.474 6.901 358 HE1 TYR 58 HE2 TYR 58 3.851 -2.458 4.648 359 HE2 TYR 58 HE1 TYR 58 2.420 -0.575 8.195 360 HH TYR 58 HH TYR 58 5.113 -1.954 6.794 361 HA PRO 59 HA PRO 59 -4.398 0.651 1.678 362 HB2 PRO 59 HB2 PRO 59 -6.353 0.912 3.851 363 HB3 PRO 59 HB1 PRO 59 -6.443 -0.087 2.395 364 HG2 PRO 59 HG2 PRO 59 -6.140 -1.174 4.829 365 HG3 PRO 59 HG1 PRO 59 -5.401 -1.881 3.379 366 HD2 PRO 59 HD2 PRO 59 -4.143 -0.178 5.497 367 HD3 PRO 59 HD1 PRO 59 -3.515 -1.640 4.702 368 H LYS 60 HN LYS 60 -3.440 2.663 1.381 369 HA LYS 60 HA LYS 60 -3.893 4.670 3.472 370 HB2 LYS 60 HB2 LYS 60 -1.867 4.594 1.237 371 HB3 LYS 60 HB1 LYS 60 -2.058 5.929 2.369 372 HG2 LYS 60 HG2 LYS 60 -1.513 4.460 4.230 373 HG3 LYS 60 HG1 LYS 60 -1.371 3.094 3.124 374 HD2 LYS 60 HD2 LYS 60 0.499 4.157 2.009 375 HD3 LYS 60 HD1 LYS 60 0.328 5.578 3.039 376 HE2 LYS 60 HE2 LYS 60 0.964 2.795 4.005 377 HE3 LYS 60 HE1 LYS 60 2.142 4.085 3.787 378 HZ1 LYS 60 HZ1 LYS 60 0.749 5.396 5.408 379 HZ2 LYS 60 HZ2 LYS 60 1.597 4.079 6.052 380 HZ3 LYS 60 HZ3 LYS 60 -0.069 3.953 5.760 381 H ARG 61 HN ARG 61 -4.288 6.866 2.815 382 HA ARG 61 HA ARG 61 -5.902 7.062 0.356 383 HB2 ARG 61 HB2 ARG 61 -7.425 8.573 1.660 384 HB3 ARG 61 HB1 ARG 61 -7.444 6.901 2.200 385 HG2 ARG 61 HG2 ARG 61 -6.266 7.381 4.147 386 HG3 ARG 61 HG1 ARG 61 -5.663 8.912 3.513 387 HD2 ARG 61 HD2 ARG 61 -8.464 9.090 3.461 388 HD3 ARG 61 HD1 ARG 61 -8.042 8.381 5.019 389 HE ARG 61 HE ARG 61 -6.327 10.483 4.766 390 HH11 ARG 61 HH11 ARG 61 -9.813 10.117 4.511 391 HH12 ARG 61 HH12 ARG 61 -10.141 11.757 5.200 392 HH21 ARG 61 HH21 ARG 61 -6.700 12.579 5.602 393 HH22 ARG 61 HH22 ARG 61 -8.407 13.132 5.815 394 H GLY 62 HN GLY 62 -6.594 9.750 0.703 395 HA2 GLY 62 HA2 GLY 62 -5.859 11.870 0.268 396 HA3 GLY 62 HA1 GLY 62 -4.547 11.515 1.376 397 H LYS 63 HN LYS 63 -2.822 12.331 0.383 398 HA LYS 63 HA LYS 63 -2.374 11.690 -2.444 399 HB2 LYS 63 HB2 LYS 63 -0.964 13.547 -2.567 400 HB3 LYS 63 HB1 LYS 63 -2.216 14.089 -1.462 401 HG2 LYS 63 HG2 LYS 63 -0.803 13.802 0.419 402 HG3 LYS 63 HG1 LYS 63 0.402 12.935 -0.534 403 HD2 LYS 63 HD2 LYS 63 -0.376 15.795 -1.063 404 HD3 LYS 63 HD1 LYS 63 0.944 15.338 0.013 405 HE2 LYS 63 HE2 LYS 63 0.796 14.404 -2.841 406 HE3 LYS 63 HE1 LYS 63 1.547 15.931 -2.391 407 HZ1 LYS 63 HZ1 LYS 63 2.989 14.609 -0.859 408 HZ2 LYS 63 HZ2 LYS 63 3.250 14.322 -2.501 409 HZ3 LYS 63 HZ3 LYS 63 2.381 13.200 -1.581 410 HA PRO 64 HA PRO 64 0.760 8.797 -1.280 411 HB2 PRO 64 HB2 PRO 64 2.243 8.699 -3.525 412 HB3 PRO 64 HB1 PRO 64 0.598 8.053 -3.469 413 HG2 PRO 64 HG2 PRO 64 1.558 10.644 -4.587 414 HG3 PRO 64 HG1 PRO 64 0.340 9.524 -5.228 415 HD2 PRO 64 HD2 PRO 64 -0.270 11.811 -3.845 416 HD3 PRO 64 HD1 PRO 64 -1.325 10.388 -3.931 417 H GLN 65 HN GLN 65 3.024 8.609 -0.845 418 HA GLN 65 HA GLN 65 4.656 11.000 -1.103 419 HB2 GLN 65 HB2 GLN 65 3.748 9.811 1.497 420 HB3 GLN 65 HB1 GLN 65 5.345 10.537 1.393 421 HG2 GLN 65 HG2 GLN 65 4.507 12.661 1.045 422 HG3 GLN 65 HG1 GLN 65 2.962 12.062 0.447 423 HE21 GLN 65 HE21 GLN 65 1.389 11.431 1.899 424 HE22 GLN 65 HE22 GLN 65 1.447 11.851 3.576 425 H PHE 66 HN PHE 66 5.441 9.476 -2.672 426 HA PHE 66 HA PHE 66 6.511 6.982 -2.189 427 HB2 PHE 66 HB2 PHE 66 7.362 9.087 -4.178 428 HB3 PHE 66 HB1 PHE 66 7.918 7.419 -4.213 429 HD1 PHE 66 HD1 PHE 66 5.457 5.938 -3.610 430 HD2 PHE 66 HD2 PHE 66 6.084 9.350 -6.077 431 HE1 PHE 66 HE1 PHE 66 3.502 5.316 -4.966 432 HE2 PHE 66 HE2 PHE 66 4.129 8.735 -7.433 433 HZ PHE 66 HZ PHE 66 2.836 6.715 -6.880 434 H TYR 67 HN TYR 67 8.252 6.194 -1.303 435 HA TYR 67 HA TYR 67 10.632 7.817 -0.948 436 HB2 TYR 67 HB2 TYR 67 10.851 7.491 1.388 437 HB3 TYR 67 HB1 TYR 67 9.196 8.027 1.152 438 HD1 TYR 67 HD2 TYR 67 7.329 6.431 1.438 439 HD2 TYR 67 HD1 TYR 67 11.351 5.319 2.251 440 HE1 TYR 67 HE2 TYR 67 6.530 4.489 2.723 441 HE2 TYR 67 HE1 TYR 67 10.564 3.385 3.536 442 HH TYR 67 HH TYR 67 7.749 2.039 3.316 443 H LYS 68 HN LYS 68 12.536 6.536 -0.713 444 HA LYS 68 HA LYS 68 12.327 4.038 -2.089 445 HB2 LYS 68 HB2 LYS 68 14.208 5.615 -2.419 446 HB3 LYS 68 HB1 LYS 68 14.751 5.278 -0.784 447 HG2 LYS 68 HG2 LYS 68 15.299 3.044 -1.321 448 HG3 LYS 68 HG1 LYS 68 14.453 3.133 -2.865 449 HD2 LYS 68 HD2 LYS 68 16.799 4.902 -2.231 450 HD3 LYS 68 HD1 LYS 68 17.006 3.283 -2.902 451 HE2 LYS 68 HE2 LYS 68 15.635 3.894 -4.827 452 HE3 LYS 68 HE1 LYS 68 15.390 5.502 -4.149 453 HZ1 LYS 68 HZ1 LYS 68 18.019 4.368 -4.930 454 HZ2 LYS 68 HZ2 LYS 68 17.743 5.934 -4.350 455 HZ3 LYS 68 HZ3 LYS 68 17.122 5.464 -5.852 456 H TYR 69 HN TYR 69 12.199 2.056 -1.318 457 HA TYR 69 HA TYR 69 13.353 1.268 1.179 458 HB2 TYR 69 HB2 TYR 69 11.110 2.327 1.801 459 HB3 TYR 69 HB1 TYR 69 10.360 0.967 0.971 460 HD1 TYR 69 HD1 TYR 69 12.790 1.757 3.674 461 HD2 TYR 69 HD2 TYR 69 9.967 -1.020 2.128 462 HE1 TYR 69 HE1 TYR 69 13.022 0.398 5.706 463 HE2 TYR 69 HE2 TYR 69 10.186 -2.388 4.160 464 HH TYR 69 HH TYR 69 11.712 -2.773 5.969 465 H LEU 70 HN LEU 70 13.856 -0.856 1.128 466 HA LEU 70 HA LEU 70 13.231 -2.312 -1.294 467 HB2 LEU 70 HB2 LEU 70 15.512 -2.253 -0.248 468 HB3 LEU 70 HB1 LEU 70 14.869 -3.205 1.076 469 HG LEU 70 HG LEU 70 14.204 -4.906 -0.760 470 HD11 LEU 70 HD11 LEU 70 15.684 -4.885 -2.709 471 HD12 LEU 70 HD12 LEU 70 16.330 -3.326 -2.201 472 HD13 LEU 70 HD13 LEU 70 14.636 -3.467 -2.673 473 HD21 LEU 70 HD21 LEU 70 16.391 -5.971 -0.604 474 HD22 LEU 70 HD22 LEU 70 15.899 -5.299 0.949 475 HD23 LEU 70 HD23 LEU 70 17.096 -4.458 -0.037 476 H GLY 71 HN GLY 71 11.173 -3.076 -1.274 477 HA2 GLY 71 HA2 GLY 71 10.162 -5.280 -0.573 478 HA3 GLY 71 HA1 GLY 71 10.376 -4.690 1.066 479 H ASP 72 HN ASP 72 9.642 -1.965 -0.388 480 HA ASP 72 HA ASP 72 6.801 -2.233 0.239 481 HB2 ASP 72 HB2 ASP 72 8.725 0.037 0.096 482 HB3 ASP 72 HB1 ASP 72 7.035 0.382 -0.243 483 H MET 73 HN MET 73 5.431 -2.644 -1.343 484 HA MET 73 HA MET 73 6.052 -1.647 -4.051 485 HB2 MET 73 HB2 MET 73 4.664 -4.148 -3.117 486 HB3 MET 73 HB1 MET 73 4.409 -3.523 -4.740 487 HG2 MET 73 HG2 MET 73 6.731 -3.772 -5.262 488 HG3 MET 73 HG1 MET 73 7.103 -4.214 -3.597 489 HE1 MET 73 HE1 MET 73 4.971 -5.232 -6.734 490 HE2 MET 73 HE2 MET 73 3.837 -5.514 -5.411 491 HE3 MET 73 HE3 MET 73 4.487 -6.878 -6.323 492 H THR 74 HN THR 74 4.839 0.055 -4.571 493 HA THR 74 HA THR 74 2.201 0.333 -3.332 494 HB THR 74 HB THR 74 3.782 2.384 -4.899 495 HG1 THR 74 HG1 THR 74 4.876 2.090 -3.001 496 HG21 THR 74 HG21 THR 74 1.397 2.847 -4.954 497 HG22 THR 74 HG22 THR 74 2.201 3.995 -3.884 498 HG23 THR 74 HG23 THR 74 1.292 2.647 -3.204 499 H GLY 75 HN GLY 75 0.351 0.307 -4.462 500 HA2 GLY 75 HA2 GLY 75 0.516 0.149 -7.405 501 HA3 GLY 75 HA1 GLY 75 -0.465 -0.985 -6.480 502 H SER 76 HN SER 76 -1.418 0.814 -8.513 503 HA SER 76 HA SER 76 -2.605 3.117 -7.403 504 HB2 SER 76 HB2 SER 76 -4.158 2.888 -9.442 505 HB3 SER 76 HB1 SER 76 -2.432 3.055 -9.762 506 HG SER 76 HG SER 76 -3.735 1.293 -10.860 507 H ARG 77 HN ARG 77 -4.474 0.378 -8.626 508 HA ARG 77 HA ARG 77 -5.778 -0.345 -6.264 509 HB2 ARG 77 HB2 ARG 77 -6.679 2.016 -6.524 510 HB3 ARG 77 HB1 ARG 77 -7.490 1.460 -7.980 511 HG2 ARG 77 HG2 ARG 77 -8.894 0.007 -6.774 512 HG3 ARG 77 HG1 ARG 77 -7.912 0.148 -5.314 513 HD2 ARG 77 HD2 ARG 77 -9.959 1.447 -5.095 514 HD3 ARG 77 HD1 ARG 77 -8.549 2.509 -5.122 515 HE ARG 77 HE ARG 77 -9.941 2.064 -7.648 516 HH11 ARG 77 HH11 ARG 77 -9.284 4.157 -4.893 517 HH12 ARG 77 HH12 ARG 77 -9.948 5.621 -5.714 518 HH21 ARG 77 HH21 ARG 77 -10.784 3.905 -8.712 519 HH22 ARG 77 HH22 ARG 77 -10.770 5.489 -7.848 520 H THR 78 HN THR 78 -6.108 0.176 -9.723 521 HA THR 78 HA THR 78 -6.725 -2.629 -10.092 522 HB THR 78 HB THR 78 -8.892 -1.114 -9.861 523 HG1 THR 78 HG1 THR 78 -9.247 -2.687 -12.066 524 HG21 THR 78 HG21 THR 78 -8.346 0.541 -11.527 525 HG22 THR 78 HG22 THR 78 -9.713 -0.413 -12.104 526 HG23 THR 78 HG23 THR 78 -8.097 -0.708 -12.748 527 H CYS 79 HN CYS 79 -6.403 -3.306 -12.314 528 HA CYS 79 HA CYS 79 -4.999 -1.356 -13.996 529 HB2 CYS 79 HB2 CYS 79 -3.982 -4.081 -13.182 530 HB3 CYS 79 HB1 CYS 79 -3.352 -3.199 -14.568 531 H1 GAL 83 H1 GTP 1 6.096 2.078 8.647 532 H2 GAL 83 H2 GTP 1 5.669 4.342 6.642 533 H3 GAL 83 H3 GTP 1 3.763 2.375 7.961 534 H4 GAL 83 H4 GTP 1 3.462 1.626 5.647 535 H5 GAL 83 H5 GTP 1 5.156 0.568 7.095 536 H61 GAL 83 H61 GTP 1 6.495 0.909 4.402 537 H62 GAL 83 H62 GTP 1 4.968 0.043 4.579 538 HO2 GAL 83 HO2 GTP 1 5.759 4.387 9.334 539 HO3 GAL 83 HO3 GTP 1 3.285 4.760 7.404 540 HO4 GAL 83 HO4 GTP 1 5.703 2.828 4.637 541 HO6 GAL 83 HO6 GTP 1 7.139 -1.108 4.740 542 H1 NAG 84 H1 GCP 2 10.464 3.255 5.280 543 H2 NAG 84 H2 GCP 2 10.272 3.781 8.296 544 H3 NAG 84 H3 GCP 2 8.194 3.349 6.117 545 H4 NAG 84 H4 GCP 2 8.967 5.721 7.877 546 H5 NAG 84 H5 GCP 2 9.160 5.205 4.877 547 H61 NAG 84 H61 GCP 2 9.255 7.656 6.489 548 H62 NAG 84 H62 GCP 2 9.124 7.419 4.747 549 H81 NAG 84 HC23 GCP 2 11.005 -0.627 9.291 550 H82 NAG 84 HC21 GCP 2 9.251 -0.493 9.206 551 H83 NAG 84 HC22 GCP 2 10.196 -0.638 7.725 552 HN2 NAG 84 HN2 GCP 2 9.607 1.288 6.779 553 HO1 NAG 84 HO1 GCP 2 12.180 2.463 6.974 554 HO4 NAG 84 HO4 GCP 2 6.710 5.617 7.423 555 HO6 NAG 84 HO6 GCP 2 11.609 6.746 5.557 Start of MODEL 4 1 H CYS 10 HT1 CYS 10 0.497 0.242 -15.445 2 HA CYS 10 HA CYS 10 -0.997 2.394 -14.078 3 HB2 CYS 10 HB2 CYS 10 -1.879 0.462 -12.693 4 HB3 CYS 10 HB1 CYS 10 -2.502 0.557 -14.338 5 H VAL 11 HN VAL 11 -0.409 2.661 -11.876 6 HA VAL 11 HA VAL 11 2.381 2.232 -11.393 7 HB VAL 11 HB VAL 11 0.290 3.296 -9.483 8 HG11 VAL 11 HG11 VAL 11 2.353 2.575 -8.386 9 HG12 VAL 11 HG12 VAL 11 2.177 4.330 -8.330 10 HG13 VAL 11 HG13 VAL 11 3.293 3.589 -9.478 11 HG21 VAL 11 HG21 VAL 11 0.928 5.510 -10.193 12 HG22 VAL 11 HG22 VAL 11 0.413 4.576 -11.597 13 HG23 VAL 11 HG23 VAL 11 2.131 4.846 -11.302 14 H HIS 12 HN HIS 12 3.265 0.498 -10.515 15 HA HIS 12 HA HIS 12 2.209 -0.832 -8.249 16 HB2 HIS 12 HB2 HIS 12 1.643 -2.981 -9.164 17 HB3 HIS 12 HB1 HIS 12 0.719 -1.773 -10.048 18 HD1 HIS 12 HD1 HIS 12 3.314 -4.396 -10.479 19 HD2 HIS 12 HD2 HIS 12 1.542 -1.396 -12.750 20 HE1 HIS 12 HE1 HIS 12 3.924 -4.905 -12.866 21 HE2 HIS 12 HE2 HIS 12 2.974 -2.990 -14.197 22 H THR 13 HN THR 13 3.698 -2.206 -7.307 23 HA THR 13 HA THR 13 5.749 -3.016 -6.774 24 HB THR 13 HB THR 13 6.515 -3.336 -9.642 25 HG1 THR 13 HG1 THR 13 5.054 -5.314 -9.467 26 HG21 THR 13 HG21 THR 13 7.696 -5.120 -8.886 27 HG22 THR 13 HG22 THR 13 6.429 -5.608 -7.761 28 HG23 THR 13 HG23 THR 13 7.535 -4.305 -7.331 29 H GLY 14 HN GLY 14 8.186 -2.801 -8.459 30 HA2 GLY 14 HA2 GLY 14 9.849 -1.310 -9.030 31 HA3 GLY 14 HA1 GLY 14 8.669 -0.011 -8.932 32 H ASN 15 HN ASN 15 9.070 -2.158 -6.261 33 HA ASN 15 HA ASN 15 9.422 -1.676 -4.061 34 HB2 ASN 15 HB2 ASN 15 11.837 -1.079 -3.591 35 HB3 ASN 15 HB1 ASN 15 11.559 -2.528 -4.544 36 HD21 ASN 15 HD21 ASN 15 12.509 0.842 -4.693 37 HD22 ASN 15 HD22 ASN 15 13.418 0.713 -6.159 38 H ILE 16 HN ILE 16 7.863 0.233 -4.751 39 HA ILE 16 HA ILE 16 9.046 2.710 -3.688 40 HB ILE 16 HB ILE 16 6.764 2.371 -5.645 41 HG12 ILE 16 HG12 ILE 16 8.995 2.250 -6.655 42 HG13 ILE 16 HG11 ILE 16 8.165 3.725 -7.141 43 HG21 ILE 16 HG21 ILE 16 6.213 4.105 -4.018 44 HG22 ILE 16 HG22 ILE 16 6.518 4.794 -5.611 45 HG23 ILE 16 HG23 ILE 16 7.748 4.910 -4.352 46 HD11 ILE 16 HD11 ILE 16 10.442 4.249 -6.689 47 HD12 ILE 16 HD12 ILE 16 10.372 3.461 -5.114 48 HD13 ILE 16 HD13 ILE 16 9.459 4.944 -5.401 49 H GLY 17 HN GLY 17 8.317 3.280 -1.757 50 HA2 GLY 17 HA2 GLY 17 5.842 2.034 -0.769 51 HA3 GLY 17 HA1 GLY 17 7.128 2.689 0.237 52 H SER 18 HN SER 18 4.721 3.497 0.933 53 HA SER 18 HA SER 18 4.671 6.279 0.020 54 HB2 SER 18 HB2 SER 18 2.254 4.481 0.287 55 HB3 SER 18 HB1 SER 18 2.169 6.232 0.098 56 HG SER 18 HG SER 18 3.503 4.527 -1.731 57 H LYS 19 HN LYS 19 5.146 7.447 1.749 58 HA LYS 19 HA LYS 19 4.483 6.486 4.410 59 HB2 LYS 19 HB2 LYS 19 6.690 7.598 3.767 60 HB3 LYS 19 HB1 LYS 19 5.794 9.109 3.702 61 HG2 LYS 19 HG2 LYS 19 5.073 8.594 6.095 62 HG3 LYS 19 HG1 LYS 19 6.342 7.368 6.081 63 HD2 LYS 19 HD2 LYS 19 7.171 9.433 7.045 64 HD3 LYS 19 HD1 LYS 19 7.990 9.102 5.519 65 HE2 LYS 19 HE2 LYS 19 7.328 11.481 5.831 66 HE3 LYS 19 HE1 LYS 19 6.657 10.734 4.387 67 HZ1 LYS 19 HZ1 LYS 19 5.198 11.081 6.950 68 HZ2 LYS 19 HZ2 LYS 19 4.556 10.462 5.510 69 HZ3 LYS 19 HZ3 LYS 19 5.034 12.082 5.596 70 H ALA 20 HN ALA 20 2.212 6.911 3.017 71 HA ALA 20 HA ALA 20 1.164 9.535 3.782 72 HB1 ALA 20 HB1 ALA 20 -0.800 8.903 2.424 73 HB2 ALA 20 HB2 ALA 20 -0.031 7.354 2.077 74 HB3 ALA 20 HB3 ALA 20 0.706 8.851 1.508 75 H GLN 21 HN GLN 21 -1.262 9.373 4.512 76 HA GLN 21 HA GLN 21 -1.211 7.940 6.993 77 HB2 GLN 21 HB2 GLN 21 -2.239 10.236 6.600 78 HB3 GLN 21 HB1 GLN 21 -3.576 9.397 5.827 79 HG2 GLN 21 HG2 GLN 21 -3.183 8.112 8.285 80 HG3 GLN 21 HG1 GLN 21 -3.074 9.842 8.611 81 HE21 GLN 21 HE21 GLN 21 -5.113 7.935 9.394 82 HE22 GLN 21 HE22 GLN 21 -6.605 8.529 8.752 83 H THR 22 HN THR 22 -2.132 6.066 7.505 84 HA THR 22 HA THR 22 -3.352 4.481 5.423 85 HB THR 22 HB THR 22 -3.024 3.704 8.327 86 HG1 THR 22 HG1 THR 22 -0.939 3.735 7.977 87 HG21 THR 22 HG21 THR 22 -2.910 1.434 7.422 88 HG22 THR 22 HG22 THR 22 -3.103 2.069 5.788 89 HG23 THR 22 HG23 THR 22 -4.418 2.222 6.953 90 H ILE 23 HN ILE 23 -5.483 3.861 5.297 91 HA ILE 23 HA ILE 23 -7.447 5.581 6.338 92 HB ILE 23 HB ILE 23 -7.741 2.824 5.135 93 HG12 ILE 23 HG12 ILE 23 -8.155 5.557 3.900 94 HG13 ILE 23 HG11 ILE 23 -6.693 4.593 3.708 95 HG21 ILE 23 HG21 ILE 23 -9.712 3.327 6.424 96 HG22 ILE 23 HG22 ILE 23 -10.089 3.487 4.708 97 HG23 ILE 23 HG23 ILE 23 -9.831 4.927 5.693 98 HD11 ILE 23 HD11 ILE 23 -8.155 4.396 1.782 99 HD12 ILE 23 HD12 ILE 23 -9.454 3.801 2.815 100 HD13 ILE 23 HD13 ILE 23 -7.985 2.846 2.610 101 H GLY 24 HN GLY 24 -6.612 2.239 7.253 102 HA2 GLY 24 HA2 GLY 24 -7.781 2.768 9.881 103 HA3 GLY 24 HA1 GLY 24 -8.389 1.394 8.975 104 H GLU 25 HN GLU 25 -7.725 0.106 10.736 105 HA GLU 25 HA GLU 25 -5.134 -0.091 11.730 106 HB2 GLU 25 HB2 GLU 25 -7.105 -1.066 12.814 107 HB3 GLU 25 HB1 GLU 25 -7.241 -2.243 11.515 108 HG2 GLU 25 HG2 GLU 25 -4.670 -2.602 12.341 109 HG3 GLU 25 HG1 GLU 25 -5.495 -2.208 13.849 110 H VAL 26 HN VAL 26 -3.331 -1.015 11.055 111 HA VAL 26 HA VAL 26 -3.156 -2.038 8.379 112 HB VAL 26 HB VAL 26 -1.039 -1.918 10.531 113 HG11 VAL 26 HG11 VAL 26 -0.475 -3.497 8.766 114 HG12 VAL 26 HG12 VAL 26 0.561 -2.071 8.688 115 HG13 VAL 26 HG13 VAL 26 -0.770 -2.256 7.548 116 HG21 VAL 26 HG21 VAL 26 -1.914 0.296 10.040 117 HG22 VAL 26 HG22 VAL 26 -1.658 0.030 8.315 118 HG23 VAL 26 HG23 VAL 26 -0.278 0.119 9.408 119 H LYS 27 HN LYS 27 -3.234 -4.116 7.767 120 HA LYS 27 HA LYS 27 -2.840 -6.184 9.816 121 HB2 LYS 27 HB2 LYS 27 -5.062 -5.936 7.801 122 HB3 LYS 27 HB1 LYS 27 -4.624 -7.489 8.499 123 HG2 LYS 27 HG2 LYS 27 -5.172 -6.743 10.697 124 HG3 LYS 27 HG1 LYS 27 -5.381 -5.084 10.135 125 HD2 LYS 27 HD2 LYS 27 -7.046 -7.330 9.048 126 HD3 LYS 27 HD1 LYS 27 -7.480 -6.508 10.545 127 HE2 LYS 27 HE2 LYS 27 -7.095 -5.197 7.860 128 HE3 LYS 27 HE1 LYS 27 -8.642 -5.551 8.620 129 HZ1 LYS 27 HZ1 LYS 27 -6.745 -3.428 9.188 130 HZ2 LYS 27 HZ2 LYS 27 -7.465 -4.148 10.546 131 HZ3 LYS 27 HZ3 LYS 27 -8.432 -3.450 9.340 132 H ARG 28 HN ARG 28 -2.329 -8.325 8.885 133 HA ARG 28 HA ARG 28 -0.393 -8.011 6.761 134 HB2 ARG 28 HB2 ARG 28 -0.098 -9.388 8.917 135 HB3 ARG 28 HB1 ARG 28 -1.104 -10.594 8.125 136 HG2 ARG 28 HG2 ARG 28 0.496 -10.777 6.311 137 HG3 ARG 28 HG1 ARG 28 1.492 -9.517 7.044 138 HD2 ARG 28 HD2 ARG 28 2.548 -11.440 7.740 139 HD3 ARG 28 HD1 ARG 28 1.494 -11.080 9.105 140 HE ARG 28 HE ARG 28 0.126 -12.778 7.340 141 HH11 ARG 28 HH11 ARG 28 2.844 -12.788 9.573 142 HH12 ARG 28 HH12 ARG 28 2.723 -14.560 9.892 143 HH21 ARG 28 HH21 ARG 28 -0.073 -15.012 7.726 144 HH22 ARG 28 HH22 ARG 28 1.089 -15.808 8.855 145 H ALA 29 HN ALA 29 -0.473 -8.927 4.759 146 HA ALA 29 HA ALA 29 -3.039 -10.156 3.976 147 HB1 ALA 29 HB1 ALA 29 -1.214 -8.398 2.331 148 HB2 ALA 29 HB2 ALA 29 -2.785 -7.945 2.993 149 HB3 ALA 29 HB3 ALA 29 -2.679 -9.184 1.744 150 H SER 30 HN SER 30 -2.828 -11.593 2.042 151 HA SER 30 HA SER 30 -0.535 -13.335 2.423 152 HB2 SER 30 HB2 SER 30 -3.015 -13.752 0.743 153 HB3 SER 30 HB1 SER 30 -1.818 -14.978 1.164 154 HG SER 30 HG SER 30 -2.936 -15.294 2.896 155 H SER 31 HN SER 31 -1.653 -11.009 0.134 156 HA SER 31 HA SER 31 0.717 -11.305 -1.446 157 HB2 SER 31 HB2 SER 31 -0.524 -11.740 -3.585 158 HB3 SER 31 HB1 SER 31 -0.547 -13.102 -2.466 159 HG SER 31 HG SER 31 -2.631 -12.988 -2.647 160 H LEU 32 HN LEU 32 0.382 -9.875 -3.554 161 HA LEU 32 HA LEU 32 -0.175 -7.243 -2.658 162 HB2 LEU 32 HB2 LEU 32 1.504 -7.742 -4.385 163 HB3 LEU 32 HB1 LEU 32 0.238 -8.303 -5.460 164 HG LEU 32 HG LEU 32 -0.731 -5.948 -5.310 165 HD11 LEU 32 HD11 LEU 32 2.005 -5.438 -4.156 166 HD12 LEU 32 HD12 LEU 32 0.452 -5.157 -3.369 167 HD13 LEU 32 HD13 LEU 32 0.919 -4.192 -4.768 168 HD21 LEU 32 HD21 LEU 32 0.850 -5.090 -6.995 169 HD22 LEU 32 HD22 LEU 32 0.368 -6.759 -7.299 170 HD23 LEU 32 HD23 LEU 32 1.951 -6.410 -6.604 171 H SER 33 HN SER 33 -1.876 -9.578 -4.690 172 HA SER 33 HA SER 33 -4.015 -7.932 -5.471 173 HB2 SER 33 HB2 SER 33 -4.637 -10.781 -5.052 174 HB3 SER 33 HB1 SER 33 -4.757 -9.802 -6.516 175 HG SER 33 HG SER 33 -3.068 -11.584 -6.303 176 H GLU 34 HN GLU 34 -3.483 -10.006 -2.678 177 HA GLU 34 HA GLU 34 -6.038 -9.830 -1.531 178 HB2 GLU 34 HB2 GLU 34 -4.164 -11.402 -0.877 179 HB3 GLU 34 HB1 GLU 34 -3.422 -10.051 -0.032 180 HG2 GLU 34 HG2 GLU 34 -4.622 -11.405 1.538 181 HG3 GLU 34 HG1 GLU 34 -5.448 -9.858 1.362 182 H CYS 35 HN CYS 35 -3.141 -7.832 -1.184 183 HA CYS 35 HA CYS 35 -4.226 -6.049 0.739 184 HB2 CYS 35 HB2 CYS 35 -1.784 -6.334 0.294 185 HB3 CYS 35 HB1 CYS 35 -2.005 -5.522 -1.252 186 H ARG 36 HN ARG 36 -4.047 -6.064 -2.779 187 HA ARG 36 HA ARG 36 -5.045 -3.507 -3.296 188 HB2 ARG 36 HB2 ARG 36 -4.049 -5.101 -4.965 189 HB3 ARG 36 HB1 ARG 36 -5.563 -5.994 -4.937 190 HG2 ARG 36 HG2 ARG 36 -6.716 -3.895 -5.660 191 HG3 ARG 36 HG1 ARG 36 -5.120 -3.173 -5.880 192 HD2 ARG 36 HD2 ARG 36 -5.702 -3.952 -8.006 193 HD3 ARG 36 HD1 ARG 36 -4.616 -5.187 -7.370 194 HE ARG 36 HE ARG 36 -7.528 -5.522 -7.149 195 HH11 ARG 36 HH11 ARG 36 -4.407 -6.588 -8.362 196 HH12 ARG 36 HH12 ARG 36 -5.038 -8.172 -8.941 197 HH21 ARG 36 HH21 ARG 36 -8.374 -7.522 -7.886 198 HH22 ARG 36 HH22 ARG 36 -7.260 -8.680 -8.704 199 H ALA 37 HN ALA 37 -6.765 -6.612 -3.048 200 HA ALA 37 HA ALA 37 -9.354 -5.619 -3.412 201 HB1 ALA 37 HB1 ALA 37 -8.779 -7.996 -3.545 202 HB2 ALA 37 HB2 ALA 37 -10.117 -7.711 -2.432 203 HB3 ALA 37 HB3 ALA 37 -8.498 -8.023 -1.804 204 H ARG 38 HN ARG 38 -7.361 -5.890 -0.513 205 HA ARG 38 HA ARG 38 -9.438 -5.261 1.318 206 HB2 ARG 38 HB2 ARG 38 -7.056 -6.300 1.711 207 HB3 ARG 38 HB1 ARG 38 -6.579 -4.617 1.906 208 HG2 ARG 38 HG2 ARG 38 -7.050 -5.552 4.060 209 HG3 ARG 38 HG1 ARG 38 -8.301 -4.374 3.666 210 HD2 ARG 38 HD2 ARG 38 -9.565 -6.122 4.476 211 HD3 ARG 38 HD1 ARG 38 -9.577 -6.464 2.750 212 HE ARG 38 HE ARG 38 -8.073 -7.904 4.805 213 HH11 ARG 38 HH11 ARG 38 -9.081 -7.592 1.442 214 HH12 ARG 38 HH12 ARG 38 -8.531 -9.260 1.015 215 HH21 ARG 38 HH21 ARG 38 -7.433 -10.047 4.293 216 HH22 ARG 38 HH22 ARG 38 -7.650 -10.620 2.588 217 H CYS 39 HN CYS 39 -7.324 -3.355 -0.674 218 HA CYS 39 HA CYS 39 -7.934 -0.885 0.701 219 HB2 CYS 39 HB2 CYS 39 -5.796 -1.548 -0.727 220 HB3 CYS 39 HB1 CYS 39 -6.767 -0.918 -2.052 221 H GLN 40 HN GLN 40 -8.919 -2.586 -2.219 222 HA GLN 40 HA GLN 40 -10.538 -0.544 -3.319 223 HB2 GLN 40 HB2 GLN 40 -10.644 -3.545 -3.658 224 HB3 GLN 40 HB1 GLN 40 -11.593 -2.414 -4.609 225 HG2 GLN 40 HG2 GLN 40 -9.587 -1.440 -5.525 226 HG3 GLN 40 HG1 GLN 40 -8.585 -2.471 -4.506 227 HE21 GLN 40 HE21 GLN 40 -10.628 -2.313 -7.295 228 HE22 GLN 40 HE22 GLN 40 -10.225 -3.865 -7.943 229 H ALA 41 HN ALA 41 -10.932 -2.323 -0.531 230 HA ALA 41 HA ALA 41 -13.728 -2.757 -0.506 231 HB1 ALA 41 HB1 ALA 41 -11.846 -2.408 1.824 232 HB2 ALA 41 HB2 ALA 41 -12.173 -3.929 0.996 233 HB3 ALA 41 HB3 ALA 41 -13.459 -3.113 1.888 234 H GLU 42 HN GLU 42 -11.798 0.067 -0.094 235 HA GLU 42 HA GLU 42 -14.200 1.516 0.779 236 HB2 GLU 42 HB2 GLU 42 -11.821 1.241 2.245 237 HB3 GLU 42 HB1 GLU 42 -11.797 2.879 1.602 238 HG2 GLU 42 HG2 GLU 42 -14.100 1.687 3.131 239 HG3 GLU 42 HG1 GLU 42 -12.832 2.682 3.848 240 H LYS 43 HN LYS 43 -14.441 3.624 0.029 241 HA LYS 43 HA LYS 43 -13.379 4.030 -2.628 242 HB2 LYS 43 HB2 LYS 43 -14.875 6.025 -2.611 243 HB3 LYS 43 HB1 LYS 43 -15.701 4.514 -2.258 244 HG2 LYS 43 HG2 LYS 43 -15.286 5.181 0.227 245 HG3 LYS 43 HG1 LYS 43 -15.068 6.798 -0.442 246 HD2 LYS 43 HD2 LYS 43 -17.351 6.597 0.209 247 HD3 LYS 43 HD1 LYS 43 -17.301 6.538 -1.555 248 HE2 LYS 43 HE2 LYS 43 -18.809 4.844 -0.836 249 HE3 LYS 43 HE1 LYS 43 -17.343 4.036 -1.379 250 HZ1 LYS 43 HZ1 LYS 43 -18.157 3.092 0.681 251 HZ2 LYS 43 HZ2 LYS 43 -18.065 4.594 1.446 252 HZ3 LYS 43 HZ3 LYS 43 -16.648 3.822 0.935 253 H GLU 44 HN GLU 44 -12.503 4.949 0.506 254 HA GLU 44 HA GLU 44 -11.297 7.472 -0.128 255 HB2 GLU 44 HB2 GLU 44 -11.408 5.678 2.250 256 HB3 GLU 44 HB1 GLU 44 -10.105 6.859 2.170 257 HG2 GLU 44 HG2 GLU 44 -12.940 7.690 1.730 258 HG3 GLU 44 HG1 GLU 44 -12.301 7.487 3.360 259 H CYS 45 HN CYS 45 -10.390 4.222 -0.556 260 HA CYS 45 HA CYS 45 -7.569 4.520 -0.295 261 HB2 CYS 45 HB2 CYS 45 -8.419 2.314 -0.103 262 HB3 CYS 45 HB1 CYS 45 -9.293 2.436 -1.626 263 H SER 46 HN SER 46 -6.206 5.453 -1.604 264 HA SER 46 HA SER 46 -6.939 5.777 -4.440 265 HB2 SER 46 HB2 SER 46 -5.350 7.846 -4.210 266 HB3 SER 46 HB1 SER 46 -7.016 7.966 -3.644 267 HG SER 46 HG SER 46 -6.133 8.518 -1.821 268 H HIS 47 HN HIS 47 -4.741 4.572 -2.174 269 HA HIS 47 HA HIS 47 -3.047 3.423 -4.145 270 HB2 HIS 47 HB2 HIS 47 -0.935 4.541 -3.036 271 HB3 HIS 47 HB1 HIS 47 -1.781 5.357 -4.345 272 HD1 HIS 47 HD1 HIS 47 -2.526 7.688 -3.889 273 HD2 HIS 47 HD2 HIS 47 -1.699 5.606 -0.389 274 HE1 HIS 47 HE1 HIS 47 -2.732 9.372 -2.038 275 HE2 HIS 47 HE2 HIS 47 -2.449 8.041 0.079 276 H TYR 48 HN TYR 48 -2.350 1.545 -3.348 277 HA TYR 48 HA TYR 48 -2.387 1.227 -0.421 278 HB2 TYR 48 HB2 TYR 48 -2.845 -1.162 -0.784 279 HB3 TYR 48 HB1 TYR 48 -4.094 -0.150 -1.494 280 HD1 TYR 48 HD2 TYR 48 -4.146 0.165 -3.985 281 HD2 TYR 48 HD1 TYR 48 -1.582 -2.669 -2.115 282 HE1 TYR 48 HE2 TYR 48 -3.873 -0.998 -6.133 283 HE2 TYR 48 HE1 TYR 48 -1.304 -3.843 -4.259 284 HH TYR 48 HH TYR 48 -2.227 -2.511 -7.223 285 H THR 49 HN THR 49 -0.630 0.460 0.598 286 HA THR 49 HA THR 49 1.710 -0.146 -1.083 287 HB THR 49 HB THR 49 1.704 0.908 1.755 288 HG1 THR 49 HG1 THR 49 2.299 2.278 -0.679 289 HG21 THR 49 HG21 THR 49 4.093 1.358 1.306 290 HG22 THR 49 HG22 THR 49 3.933 0.543 -0.251 291 HG23 THR 49 HG23 THR 49 3.710 -0.363 1.245 292 H TYR 50 HN TYR 50 2.125 -2.257 -1.148 293 HA TYR 50 HA TYR 50 1.507 -3.880 1.224 294 HB2 TYR 50 HB2 TYR 50 0.423 -4.683 -0.790 295 HB3 TYR 50 HB1 TYR 50 1.950 -4.671 -1.662 296 HD1 TYR 50 HD1 TYR 50 0.794 -6.088 1.614 297 HD2 TYR 50 HD2 TYR 50 2.722 -6.786 -2.117 298 HE1 TYR 50 HE1 TYR 50 1.185 -8.428 2.255 299 HE2 TYR 50 HE2 TYR 50 3.116 -9.129 -1.482 300 HH TYR 50 HH TYR 50 3.168 -10.567 0.310 301 H ASN 51 HN ASN 51 3.178 -4.102 2.517 302 HA ASN 51 HA ASN 51 5.895 -3.985 1.489 303 HB2 ASN 51 HB2 ASN 51 5.399 -2.788 3.560 304 HB3 ASN 51 HB1 ASN 51 4.811 -4.269 4.308 305 HD21 ASN 51 HD21 ASN 51 7.603 -2.486 3.267 306 HD22 ASN 51 HD22 ASN 51 8.768 -3.456 4.113 307 H VAL 52 HN VAL 52 6.639 -5.801 0.585 308 HA VAL 52 HA VAL 52 5.589 -8.387 1.211 309 HB VAL 52 HB VAL 52 7.216 -9.272 -0.365 310 HG11 VAL 52 HG11 VAL 52 5.152 -8.240 -1.210 311 HG12 VAL 52 HG12 VAL 52 6.489 -8.102 -2.355 312 HG13 VAL 52 HG13 VAL 52 6.011 -6.708 -1.387 313 HG21 VAL 52 HG21 VAL 52 9.141 -7.905 0.229 314 HG22 VAL 52 HG22 VAL 52 8.350 -6.479 -0.443 315 HG23 VAL 52 HG23 VAL 52 8.818 -7.809 -1.503 316 H LYS 53 HN LYS 53 7.880 -6.514 2.781 317 HA LYS 53 HA LYS 53 9.703 -8.578 3.537 318 HB2 LYS 53 HB2 LYS 53 9.191 -5.787 4.535 319 HB3 LYS 53 HB1 LYS 53 10.319 -6.860 5.354 320 HG2 LYS 53 HG2 LYS 53 10.508 -6.138 2.441 321 HG3 LYS 53 HG1 LYS 53 11.374 -5.298 3.730 322 HD2 LYS 53 HD2 LYS 53 12.534 -7.321 4.330 323 HD3 LYS 53 HD1 LYS 53 11.594 -8.256 3.171 324 HE2 LYS 53 HE2 LYS 53 12.554 -6.804 1.370 325 HE3 LYS 53 HE1 LYS 53 13.615 -6.106 2.593 326 HZ1 LYS 53 HZ1 LYS 53 14.633 -7.936 1.308 327 HZ2 LYS 53 HZ2 LYS 53 13.489 -8.997 1.959 328 HZ3 LYS 53 HZ3 LYS 53 14.602 -8.229 2.973 329 H SER 54 HN SER 54 6.998 -6.961 5.182 330 HA SER 54 HA SER 54 7.030 -9.129 7.175 331 HB2 SER 54 HB2 SER 54 5.629 -6.458 7.392 332 HB3 SER 54 HB1 SER 54 5.923 -7.624 8.684 333 HG SER 54 HG SER 54 8.156 -6.728 7.303 334 H GLY 55 HN GLY 55 5.380 -8.016 4.466 335 HA2 GLY 55 HA2 GLY 55 3.552 -8.956 3.407 336 HA3 GLY 55 HA1 GLY 55 3.300 -9.977 4.816 337 H LEU 56 HN LEU 56 3.648 -6.660 5.472 338 HA LEU 56 HA LEU 56 0.928 -6.529 6.404 339 HB2 LEU 56 HB2 LEU 56 3.171 -4.521 6.507 340 HB3 LEU 56 HB1 LEU 56 1.596 -4.285 7.237 341 HG LEU 56 HG LEU 56 3.504 -6.499 7.989 342 HD11 LEU 56 HD11 LEU 56 2.899 -3.908 9.405 343 HD12 LEU 56 HD12 LEU 56 4.402 -4.301 8.570 344 HD13 LEU 56 HD13 LEU 56 3.929 -5.206 10.007 345 HD21 LEU 56 HD21 LEU 56 1.198 -7.085 8.411 346 HD22 LEU 56 HD22 LEU 56 0.926 -5.547 9.226 347 HD23 LEU 56 HD23 LEU 56 2.014 -6.740 9.937 348 H CYS 57 HN CYS 57 -0.715 -5.438 5.568 349 HA CYS 57 HA CYS 57 -0.305 -4.151 2.961 350 HB2 CYS 57 HB2 CYS 57 -1.947 -5.951 2.950 351 HB3 CYS 57 HB1 CYS 57 -2.812 -5.213 4.295 352 H TYR 58 HN TYR 58 -0.614 -2.003 2.732 353 HA TYR 58 HA TYR 58 -1.736 -0.572 5.050 354 HB2 TYR 58 HB2 TYR 58 0.456 0.318 3.177 355 HB3 TYR 58 HB1 TYR 58 -0.277 1.325 4.416 356 HD1 TYR 58 HD2 TYR 58 1.880 -1.602 3.818 357 HD2 TYR 58 HD1 TYR 58 0.324 1.110 6.705 358 HE1 TYR 58 HE2 TYR 58 3.539 -2.393 5.449 359 HE2 TYR 58 HE1 TYR 58 1.982 0.328 8.338 360 HH TYR 58 HH TYR 58 3.414 -1.518 8.780 361 HA PRO 59 HA PRO 59 -4.481 0.693 1.601 362 HB2 PRO 59 HB2 PRO 59 -6.501 0.963 3.686 363 HB3 PRO 59 HB1 PRO 59 -6.503 -0.118 2.286 364 HG2 PRO 59 HG2 PRO 59 -6.262 -1.020 4.834 365 HG3 PRO 59 HG1 PRO 59 -5.553 -1.848 3.437 366 HD2 PRO 59 HD2 PRO 59 -4.229 -0.072 5.439 367 HD3 PRO 59 HD1 PRO 59 -3.635 -1.568 4.688 368 H LYS 60 HN LYS 60 -3.515 2.724 1.344 369 HA LYS 60 HA LYS 60 -4.002 4.679 3.480 370 HB2 LYS 60 HB2 LYS 60 -1.904 4.603 1.317 371 HB3 LYS 60 HB1 LYS 60 -2.147 5.970 2.397 372 HG2 LYS 60 HG2 LYS 60 -1.589 4.638 4.309 373 HG3 LYS 60 HG1 LYS 60 -1.524 3.176 3.323 374 HD2 LYS 60 HD2 LYS 60 0.357 4.134 2.068 375 HD3 LYS 60 HD1 LYS 60 0.300 5.569 3.095 376 HE2 LYS 60 HE2 LYS 60 0.860 2.747 4.001 377 HE3 LYS 60 HE1 LYS 60 2.047 4.034 3.822 378 HZ1 LYS 60 HZ1 LYS 60 0.681 5.296 5.498 379 HZ2 LYS 60 HZ2 LYS 60 1.525 3.952 6.088 380 HZ3 LYS 60 HZ3 LYS 60 -0.145 3.847 5.811 381 H ARG 61 HN ARG 61 -4.318 6.902 2.868 382 HA ARG 61 HA ARG 61 -5.805 7.256 0.352 383 HB2 ARG 61 HB2 ARG 61 -7.474 8.596 1.597 384 HB3 ARG 61 HB1 ARG 61 -7.432 6.926 2.145 385 HG2 ARG 61 HG2 ARG 61 -6.241 7.519 4.118 386 HG3 ARG 61 HG1 ARG 61 -5.974 9.160 3.531 387 HD2 ARG 61 HD2 ARG 61 -8.492 9.422 3.518 388 HD3 ARG 61 HD1 ARG 61 -8.558 7.898 4.405 389 HE ARG 61 HE ARG 61 -6.808 9.396 5.845 390 HH11 ARG 61 HH11 ARG 61 -10.090 9.934 4.678 391 HH12 ARG 61 HH12 ARG 61 -10.521 10.990 6.080 392 HH21 ARG 61 HH21 ARG 61 -7.317 10.747 7.612 393 HH22 ARG 61 HH22 ARG 61 -8.974 11.452 7.708 394 H GLY 62 HN GLY 62 -6.472 9.902 0.656 395 HA2 GLY 62 HA2 GLY 62 -5.696 12.059 0.638 396 HA3 GLY 62 HA1 GLY 62 -4.382 11.539 1.677 397 H LYS 63 HN LYS 63 -2.781 12.633 0.691 398 HA LYS 63 HA LYS 63 -2.376 12.402 -2.164 399 HB2 LYS 63 HB2 LYS 63 -0.635 14.031 -1.888 400 HB3 LYS 63 HB1 LYS 63 -2.006 14.545 -0.917 401 HG2 LYS 63 HG2 LYS 63 -0.789 13.352 1.024 402 HG3 LYS 63 HG1 LYS 63 0.628 13.447 -0.022 403 HD2 LYS 63 HD2 LYS 63 -1.058 15.778 0.884 404 HD3 LYS 63 HD1 LYS 63 0.523 15.337 1.529 405 HE2 LYS 63 HE2 LYS 63 -0.046 16.127 -1.325 406 HE3 LYS 63 HE1 LYS 63 0.643 17.180 -0.094 407 HZ1 LYS 63 HZ1 LYS 63 2.442 15.421 0.101 408 HZ2 LYS 63 HZ2 LYS 63 2.459 16.387 -1.286 409 HZ3 LYS 63 HZ3 LYS 63 1.859 14.810 -1.366 410 HA PRO 64 HA PRO 64 0.565 9.124 -1.813 411 HB2 PRO 64 HB2 PRO 64 1.874 9.768 -4.263 412 HB3 PRO 64 HB1 PRO 64 0.587 8.587 -4.002 413 HG2 PRO 64 HG2 PRO 64 0.332 10.916 -5.478 414 HG3 PRO 64 HG1 PRO 64 -1.004 9.956 -4.821 415 HD2 PRO 64 HD2 PRO 64 0.185 12.476 -3.789 416 HD3 PRO 64 HD1 PRO 64 -1.495 11.903 -3.726 417 H GLN 65 HN GLN 65 2.310 9.060 -0.581 418 HA GLN 65 HA GLN 65 4.419 11.074 -0.981 419 HB2 GLN 65 HB2 GLN 65 3.442 9.714 1.529 420 HB3 GLN 65 HB1 GLN 65 5.014 10.501 1.448 421 HG2 GLN 65 HG2 GLN 65 4.064 12.618 1.129 422 HG3 GLN 65 HG1 GLN 65 2.485 11.943 0.728 423 HE21 GLN 65 HE21 GLN 65 1.099 11.362 2.358 424 HE22 GLN 65 HE22 GLN 65 1.390 11.722 4.023 425 H PHE 66 HN PHE 66 5.079 9.573 -2.655 426 HA PHE 66 HA PHE 66 5.890 6.918 -2.086 427 HB2 PHE 66 HB2 PHE 66 6.644 8.734 -4.379 428 HB3 PHE 66 HB1 PHE 66 6.936 7.000 -4.316 429 HD1 PHE 66 HD1 PHE 66 4.509 5.832 -3.399 430 HD2 PHE 66 HD2 PHE 66 5.036 9.205 -5.937 431 HE1 PHE 66 HE1 PHE 66 2.304 5.419 -4.408 432 HE2 PHE 66 HE2 PHE 66 2.833 8.796 -6.942 433 HZ PHE 66 HZ PHE 66 1.463 6.900 -6.178 434 H TYR 67 HN TYR 67 7.880 6.017 -1.929 435 HA TYR 67 HA TYR 67 10.288 7.577 -1.916 436 HB2 TYR 67 HB2 TYR 67 10.989 7.117 0.337 437 HB3 TYR 67 HB1 TYR 67 9.433 7.927 0.401 438 HD1 TYR 67 HD1 TYR 67 11.233 4.799 1.041 439 HD2 TYR 67 HD2 TYR 67 7.455 6.752 1.220 440 HE1 TYR 67 HE1 TYR 67 10.396 3.029 2.530 441 HE2 TYR 67 HE2 TYR 67 6.610 4.982 2.705 442 HH TYR 67 HH TYR 67 7.568 2.204 3.012 443 H LYS 68 HN LYS 68 12.167 6.222 -1.985 444 HA LYS 68 HA LYS 68 11.534 3.658 -3.193 445 HB2 LYS 68 HB2 LYS 68 13.212 5.481 -4.028 446 HB3 LYS 68 HB1 LYS 68 14.313 4.727 -2.884 447 HG2 LYS 68 HG2 LYS 68 14.319 2.702 -4.046 448 HG3 LYS 68 HG1 LYS 68 12.867 3.120 -4.959 449 HD2 LYS 68 HD2 LYS 68 15.408 4.702 -5.207 450 HD3 LYS 68 HD1 LYS 68 15.114 3.260 -6.178 451 HE2 LYS 68 HE2 LYS 68 13.285 4.231 -7.267 452 HE3 LYS 68 HE1 LYS 68 13.122 5.498 -6.056 453 HZ1 LYS 68 HZ1 LYS 68 14.087 6.318 -8.124 454 HZ2 LYS 68 HZ2 LYS 68 15.376 5.236 -7.970 455 HZ3 LYS 68 HZ3 LYS 68 15.177 6.474 -6.838 456 H TYR 69 HN TYR 69 11.532 1.825 -2.104 457 HA TYR 69 HA TYR 69 13.598 1.260 -0.155 458 HB2 TYR 69 HB2 TYR 69 11.935 2.330 1.263 459 HB3 TYR 69 HB1 TYR 69 10.667 1.295 0.612 460 HD1 TYR 69 HD1 TYR 69 13.851 1.192 2.540 461 HD2 TYR 69 HD2 TYR 69 10.159 -0.733 1.658 462 HE1 TYR 69 HE1 TYR 69 14.279 -0.439 4.334 463 HE2 TYR 69 HE2 TYR 69 10.578 -2.370 3.442 464 HH TYR 69 HH TYR 69 12.984 -1.953 5.788 465 H LEU 70 HN LEU 70 14.288 -0.720 -0.619 466 HA LEU 70 HA LEU 70 12.869 -2.469 -2.338 467 HB2 LEU 70 HB2 LEU 70 15.329 -2.814 -0.643 468 HB3 LEU 70 HB1 LEU 70 14.666 -4.134 -1.588 469 HG LEU 70 HG LEU 70 15.426 -1.508 -2.845 470 HD11 LEU 70 HD11 LEU 70 17.555 -2.534 -3.457 471 HD12 LEU 70 HD12 LEU 70 17.156 -3.948 -2.483 472 HD13 LEU 70 HD13 LEU 70 17.393 -2.382 -1.708 473 HD21 LEU 70 HD21 LEU 70 15.520 -2.827 -4.874 474 HD22 LEU 70 HD22 LEU 70 13.947 -3.024 -4.104 475 HD23 LEU 70 HD23 LEU 70 15.160 -4.296 -3.966 476 H GLY 71 HN GLY 71 10.953 -3.169 -1.615 477 HA2 GLY 71 HA2 GLY 71 10.352 -5.318 -0.290 478 HA3 GLY 71 HA1 GLY 71 10.770 -4.300 1.083 479 H ASP 72 HN ASP 72 9.722 -1.944 -0.479 480 HA ASP 72 HA ASP 72 6.928 -2.260 0.333 481 HB2 ASP 72 HB2 ASP 72 8.818 -0.012 0.107 482 HB3 ASP 72 HB1 ASP 72 7.191 0.349 -0.453 483 H MET 73 HN MET 73 5.325 -2.450 -1.121 484 HA MET 73 HA MET 73 5.899 -1.671 -3.895 485 HB2 MET 73 HB2 MET 73 4.688 -4.234 -2.886 486 HB3 MET 73 HB1 MET 73 4.396 -3.662 -4.524 487 HG2 MET 73 HG2 MET 73 6.703 -3.798 -5.071 488 HG3 MET 73 HG1 MET 73 7.146 -4.081 -3.390 489 HE1 MET 73 HE1 MET 73 4.660 -7.154 -5.772 490 HE2 MET 73 HE2 MET 73 4.882 -5.475 -6.264 491 HE3 MET 73 HE3 MET 73 3.937 -5.856 -4.826 492 H THR 74 HN THR 74 4.730 0.164 -3.960 493 HA THR 74 HA THR 74 1.981 0.157 -2.998 494 HB THR 74 HB THR 74 3.570 2.430 -4.210 495 HG1 THR 74 HG1 THR 74 4.527 1.828 -2.271 496 HG21 THR 74 HG21 THR 74 1.173 2.807 -4.357 497 HG22 THR 74 HG22 THR 74 1.866 3.852 -3.116 498 HG23 THR 74 HG23 THR 74 0.980 2.401 -2.651 499 H GLY 75 HN GLY 75 0.215 0.317 -4.270 500 HA2 GLY 75 HA2 GLY 75 0.629 0.416 -7.193 501 HA3 GLY 75 HA1 GLY 75 -0.438 -0.777 -6.458 502 H SER 76 HN SER 76 -1.315 1.066 -8.382 503 HA SER 76 HA SER 76 -2.512 3.351 -7.214 504 HB2 SER 76 HB2 SER 76 -3.988 3.173 -9.345 505 HB3 SER 76 HB1 SER 76 -2.258 3.456 -9.541 506 HG SER 76 HG SER 76 -3.080 1.790 -10.920 507 H ARG 77 HN ARG 77 -4.299 0.649 -8.652 508 HA ARG 77 HA ARG 77 -5.752 -0.057 -6.344 509 HB2 ARG 77 HB2 ARG 77 -6.633 2.333 -7.103 510 HB3 ARG 77 HB1 ARG 77 -7.565 1.370 -8.240 511 HG2 ARG 77 HG2 ARG 77 -8.795 0.349 -6.576 512 HG3 ARG 77 HG1 ARG 77 -7.586 0.682 -5.333 513 HD2 ARG 77 HD2 ARG 77 -9.592 2.083 -5.085 514 HD3 ARG 77 HD1 ARG 77 -8.143 3.041 -5.387 515 HE ARG 77 HE ARG 77 -9.578 2.418 -7.784 516 HH11 ARG 77 HH11 ARG 77 -9.426 4.595 -5.021 517 HH12 ARG 77 HH12 ARG 77 -10.239 5.945 -5.904 518 HH21 ARG 77 HH21 ARG 77 -10.606 4.099 -8.930 519 HH22 ARG 77 HH22 ARG 77 -10.920 5.656 -8.076 520 H THR 78 HN THR 78 -5.556 0.122 -9.836 521 HA THR 78 HA THR 78 -6.052 -2.690 -10.053 522 HB THR 78 HB THR 78 -8.379 -1.689 -9.967 523 HG1 THR 78 HG1 THR 78 -9.083 -3.103 -11.520 524 HG21 THR 78 HG21 THR 78 -7.536 -0.552 -12.635 525 HG22 THR 78 HG22 THR 78 -7.987 0.364 -11.196 526 HG23 THR 78 HG23 THR 78 -9.193 -0.609 -12.038 527 H CYS 79 HN CYS 79 -6.188 -3.208 -12.558 528 HA CYS 79 HA CYS 79 -4.569 -1.374 -14.137 529 HB2 CYS 79 HB2 CYS 79 -3.719 -4.182 -13.402 530 HB3 CYS 79 HB1 CYS 79 -3.071 -3.330 -14.798 531 H1 GAL 83 H1 GTP 1 6.236 1.883 8.572 532 H2 GAL 83 H2 GTP 1 5.728 4.096 6.504 533 H3 GAL 83 H3 GTP 1 3.857 2.151 7.936 534 H4 GAL 83 H4 GTP 1 3.508 1.301 5.659 535 H5 GAL 83 H5 GTP 1 5.219 0.315 7.100 536 H61 GAL 83 H61 GTP 1 5.382 0.294 4.187 537 H62 GAL 83 H62 GTP 1 5.583 -1.014 5.355 538 HO2 GAL 83 HO2 GTP 1 6.075 4.408 8.971 539 HO3 GAL 83 HO3 GTP 1 3.459 4.552 7.114 540 HO4 GAL 83 HO4 GTP 1 5.661 2.392 4.459 541 HO6 GAL 83 HO6 GTP 1 7.409 -0.181 3.858 542 H1 NAG 84 H1 GCP 2 9.838 3.234 4.500 543 H2 NAG 84 H2 GCP 2 10.386 3.072 7.502 544 H3 NAG 84 H3 GCP 2 7.890 3.511 5.857 545 H4 NAG 84 H4 GCP 2 9.501 5.212 7.797 546 H5 NAG 84 H5 GCP 2 8.937 5.416 4.801 547 H61 NAG 84 H61 GCP 2 9.763 7.415 6.719 548 H62 NAG 84 H62 GCP 2 9.449 7.552 4.987 549 H81 NAG 84 HC23 GCP 2 8.516 -0.889 6.581 550 H82 NAG 84 HC21 GCP 2 10.214 -1.336 6.752 551 H83 NAG 84 HC22 GCP 2 9.163 -1.314 8.166 552 HN2 NAG 84 HN2 GCP 2 9.079 1.115 5.653 553 HO1 NAG 84 HO1 GCP 2 11.790 1.984 5.853 554 HO4 NAG 84 HO4 GCP 2 7.407 5.880 8.025 555 HO6 NAG 84 HO6 GCP 2 11.768 6.341 5.189 Start of MODEL 5 1 H CYS 10 HT1 CYS 10 -0.496 -4.676 -13.955 2 HA CYS 10 HA CYS 10 -1.572 -3.364 -12.344 3 HB2 CYS 10 HB2 CYS 10 -2.754 -5.997 -11.531 4 HB3 CYS 10 HB1 CYS 10 -2.631 -4.683 -10.361 5 H VAL 11 HN VAL 11 0.879 -5.338 -12.685 6 HA VAL 11 HA VAL 11 1.828 -5.395 -9.938 7 HB VAL 11 HB VAL 11 3.314 -6.219 -12.442 8 HG11 VAL 11 HG11 VAL 11 4.756 -5.790 -10.529 9 HG12 VAL 11 HG12 VAL 11 4.696 -7.518 -10.886 10 HG13 VAL 11 HG13 VAL 11 3.773 -6.864 -9.532 11 HG21 VAL 11 HG21 VAL 11 1.251 -7.511 -12.216 12 HG22 VAL 11 HG22 VAL 11 1.687 -7.924 -10.557 13 HG23 VAL 11 HG23 VAL 11 2.666 -8.515 -11.902 14 H HIS 12 HN HIS 12 2.543 -3.517 -9.161 15 HA HIS 12 HA HIS 12 3.847 -1.614 -10.958 16 HB2 HIS 12 HB2 HIS 12 2.739 -1.370 -8.166 17 HB3 HIS 12 HB1 HIS 12 3.724 -0.107 -8.892 18 HD1 HIS 12 HD1 HIS 12 2.473 1.612 -10.160 19 HD2 HIS 12 HD2 HIS 12 0.322 -1.917 -9.785 20 HE1 HIS 12 HE1 HIS 12 0.206 2.100 -11.123 21 HE2 HIS 12 HE2 HIS 12 -1.155 0.041 -10.597 22 H THR 13 HN THR 13 4.425 -2.472 -7.561 23 HA THR 13 HA THR 13 6.315 -2.819 -6.364 24 HB THR 13 HB THR 13 7.831 -3.584 -8.842 25 HG1 THR 13 HG1 THR 13 6.402 -5.064 -9.293 26 HG21 THR 13 HG21 THR 13 8.807 -5.247 -7.394 27 HG22 THR 13 HG22 THR 13 7.650 -4.874 -6.117 28 HG23 THR 13 HG23 THR 13 8.870 -3.687 -6.573 29 H GLY 14 HN GLY 14 8.971 -2.460 -8.170 30 HA2 GLY 14 HA2 GLY 14 10.323 -0.686 -8.800 31 HA3 GLY 14 HA1 GLY 14 8.988 0.414 -8.484 32 H ASN 15 HN ASN 15 9.099 -1.414 -5.834 33 HA ASN 15 HA ASN 15 9.756 -1.104 -3.687 34 HB2 ASN 15 HB2 ASN 15 12.288 -0.158 -5.044 35 HB3 ASN 15 HB1 ASN 15 12.142 -0.446 -3.315 36 HD21 ASN 15 HD21 ASN 15 10.541 -2.762 -3.423 37 HD22 ASN 15 HD22 ASN 15 11.498 -4.042 -4.081 38 H ILE 16 HN ILE 16 8.061 0.721 -4.406 39 HA ILE 16 HA ILE 16 9.149 3.277 -3.440 40 HB ILE 16 HB ILE 16 6.661 3.094 -5.114 41 HG12 ILE 16 HG12 ILE 16 9.422 3.582 -6.241 42 HG13 ILE 16 HG11 ILE 16 8.620 2.016 -6.312 43 HG21 ILE 16 HG21 ILE 16 7.202 5.417 -5.630 44 HG22 ILE 16 HG22 ILE 16 8.676 5.293 -4.665 45 HG23 ILE 16 HG23 ILE 16 7.097 5.159 -3.887 46 HD11 ILE 16 HD11 ILE 16 6.808 3.016 -7.611 47 HD12 ILE 16 HD12 ILE 16 8.373 3.215 -8.396 48 HD13 ILE 16 HD13 ILE 16 7.632 4.573 -7.549 49 H GLY 17 HN GLY 17 8.375 3.890 -1.548 50 HA2 GLY 17 HA2 GLY 17 5.986 2.551 -0.505 51 HA3 GLY 17 HA1 GLY 17 7.186 3.415 0.447 52 H SER 18 HN SER 18 5.224 4.376 1.401 53 HA SER 18 HA SER 18 4.655 6.893 0.100 54 HB2 SER 18 HB2 SER 18 2.849 5.775 -0.896 55 HB3 SER 18 HB1 SER 18 2.567 4.767 0.521 56 HG SER 18 HG SER 18 1.632 6.470 1.561 57 H LYS 19 HN LYS 19 4.721 8.427 1.592 58 HA LYS 19 HA LYS 19 4.874 7.776 4.374 59 HB2 LYS 19 HB2 LYS 19 4.836 10.410 2.897 60 HB3 LYS 19 HB1 LYS 19 4.991 10.292 4.642 61 HG2 LYS 19 HG2 LYS 19 6.896 9.004 2.703 62 HG3 LYS 19 HG1 LYS 19 7.135 10.601 3.412 63 HD2 LYS 19 HD2 LYS 19 6.739 8.115 5.061 64 HD3 LYS 19 HD1 LYS 19 8.323 8.693 4.558 65 HE2 LYS 19 HE2 LYS 19 8.009 10.762 5.749 66 HE3 LYS 19 HE1 LYS 19 6.346 10.327 6.137 67 HZ1 LYS 19 HZ1 LYS 19 8.702 8.764 7.044 68 HZ2 LYS 19 HZ2 LYS 19 7.095 8.601 7.556 69 HZ3 LYS 19 HZ3 LYS 19 7.973 9.983 7.964 70 H ALA 20 HN ALA 20 2.285 8.135 2.343 71 HA ALA 20 HA ALA 20 0.465 9.581 3.948 72 HB1 ALA 20 HB1 ALA 20 -1.271 8.646 2.537 73 HB2 ALA 20 HB2 ALA 20 -0.138 7.457 1.897 74 HB3 ALA 20 HB3 ALA 20 0.096 9.172 1.556 75 H GLN 21 HN GLN 21 -0.941 8.933 5.498 76 HA GLN 21 HA GLN 21 -0.271 6.594 6.989 77 HB2 GLN 21 HB2 GLN 21 -0.959 8.772 7.984 78 HB3 GLN 21 HB1 GLN 21 -2.580 8.508 7.360 79 HG2 GLN 21 HG2 GLN 21 -2.066 6.198 8.766 80 HG3 GLN 21 HG1 GLN 21 -1.310 7.455 9.745 81 HE21 GLN 21 HE21 GLN 21 -2.789 7.379 11.392 82 HE22 GLN 21 HE22 GLN 21 -4.433 7.883 11.214 83 H THR 22 HN THR 22 -1.609 4.858 7.516 84 HA THR 22 HA THR 22 -3.165 3.787 5.400 85 HB THR 22 HB THR 22 -3.159 2.716 8.208 86 HG1 THR 22 HG1 THR 22 -1.096 2.187 8.058 87 HG21 THR 22 HG21 THR 22 -4.509 1.528 6.572 88 HG22 THR 22 HG22 THR 22 -3.115 0.550 7.030 89 HG23 THR 22 HG23 THR 22 -3.123 1.408 5.489 90 H ILE 23 HN ILE 23 -5.383 3.427 5.296 91 HA ILE 23 HA ILE 23 -7.088 5.337 6.476 92 HB ILE 23 HB ILE 23 -7.858 2.686 5.236 93 HG12 ILE 23 HG12 ILE 23 -7.764 5.413 3.935 94 HG13 ILE 23 HG11 ILE 23 -6.469 4.229 3.801 95 HG21 ILE 23 HG21 ILE 23 -10.034 3.724 4.841 96 HG22 ILE 23 HG22 ILE 23 -9.494 5.188 5.663 97 HG23 ILE 23 HG23 ILE 23 -9.655 3.681 6.563 98 HD11 ILE 23 HD11 ILE 23 -8.101 2.654 2.798 99 HD12 ILE 23 HD12 ILE 23 -7.822 4.112 1.845 100 HD13 ILE 23 HD13 ILE 23 -9.290 3.955 2.807 101 H GLY 24 HN GLY 24 -6.780 1.850 7.106 102 HA2 GLY 24 HA2 GLY 24 -8.012 2.319 9.747 103 HA3 GLY 24 HA1 GLY 24 -8.245 0.845 8.815 104 H GLU 25 HN GLU 25 -7.356 -0.643 10.141 105 HA GLU 25 HA GLU 25 -4.771 -0.163 11.357 106 HB2 GLU 25 HB2 GLU 25 -6.781 -2.396 11.509 107 HB3 GLU 25 HB1 GLU 25 -5.161 -2.593 12.157 108 HG2 GLU 25 HG2 GLU 25 -6.600 -1.981 13.945 109 HG3 GLU 25 HG1 GLU 25 -5.563 -0.599 13.592 110 H VAL 26 HN VAL 26 -3.028 -1.763 11.114 111 HA VAL 26 HA VAL 26 -2.580 -2.327 8.326 112 HB VAL 26 HB VAL 26 -0.824 -3.052 10.678 113 HG11 VAL 26 HG11 VAL 26 -0.384 -4.232 8.528 114 HG12 VAL 26 HG12 VAL 26 0.955 -3.228 9.083 115 HG13 VAL 26 HG13 VAL 26 -0.091 -2.663 7.780 116 HG21 VAL 26 HG21 VAL 26 -0.777 -0.577 8.956 117 HG22 VAL 26 HG22 VAL 26 0.415 -0.999 10.188 118 HG23 VAL 26 HG23 VAL 26 -1.252 -0.653 10.653 119 H LYS 27 HN LYS 27 -3.167 -4.146 7.356 120 HA LYS 27 HA LYS 27 -3.490 -6.570 8.999 121 HB2 LYS 27 HB2 LYS 27 -5.594 -5.478 8.032 122 HB3 LYS 27 HB1 LYS 27 -5.002 -5.985 6.459 123 HG2 LYS 27 HG2 LYS 27 -5.560 -8.136 6.793 124 HG3 LYS 27 HG1 LYS 27 -5.103 -8.098 8.496 125 HD2 LYS 27 HD2 LYS 27 -7.594 -6.795 7.412 126 HD3 LYS 27 HD1 LYS 27 -7.554 -8.436 8.059 127 HE2 LYS 27 HE2 LYS 27 -6.631 -7.482 10.181 128 HE3 LYS 27 HE1 LYS 27 -6.927 -5.875 9.520 129 HZ1 LYS 27 HZ1 LYS 27 -9.284 -6.492 9.307 130 HZ2 LYS 27 HZ2 LYS 27 -8.753 -6.517 10.909 131 HZ3 LYS 27 HZ3 LYS 27 -8.962 -7.968 10.064 132 H ARG 28 HN ARG 28 -2.956 -8.583 7.982 133 HA ARG 28 HA ARG 28 -0.714 -8.330 6.187 134 HB2 ARG 28 HB2 ARG 28 -1.903 -10.532 7.806 135 HB3 ARG 28 HB1 ARG 28 -0.906 -10.967 6.422 136 HG2 ARG 28 HG2 ARG 28 0.825 -9.361 7.431 137 HG3 ARG 28 HG1 ARG 28 -0.136 -9.483 8.907 138 HD2 ARG 28 HD2 ARG 28 0.171 -11.888 8.940 139 HD3 ARG 28 HD1 ARG 28 1.029 -11.826 7.400 140 HE ARG 28 HE ARG 28 2.108 -10.354 9.689 141 HH11 ARG 28 HH11 ARG 28 2.350 -13.034 7.413 142 HH12 ARG 28 HH12 ARG 28 4.081 -13.353 7.813 143 HH21 ARG 28 HH21 ARG 28 4.289 -10.721 10.204 144 HH22 ARG 28 HH22 ARG 28 5.169 -12.051 9.356 145 H ALA 29 HN ALA 29 -0.518 -9.215 4.147 146 HA ALA 29 HA ALA 29 -2.999 -10.137 2.866 147 HB1 ALA 29 HB1 ALA 29 -1.086 -8.060 1.813 148 HB2 ALA 29 HB2 ALA 29 -2.793 -7.852 2.202 149 HB3 ALA 29 HB3 ALA 29 -2.318 -8.852 0.832 150 H SER 30 HN SER 30 -2.765 -11.858 1.585 151 HA SER 30 HA SER 30 -0.350 -13.327 1.659 152 HB2 SER 30 HB2 SER 30 -2.082 -14.393 -0.314 153 HB3 SER 30 HB1 SER 30 -1.844 -14.950 1.342 154 HG SER 30 HG SER 30 -4.052 -14.155 0.503 155 H SER 31 HN SER 31 -1.763 -11.171 -0.708 156 HA SER 31 HA SER 31 0.671 -11.362 -2.285 157 HB2 SER 31 HB2 SER 31 -0.991 -13.041 -3.208 158 HB3 SER 31 HB1 SER 31 -2.023 -11.673 -3.621 159 HG SER 31 HG SER 31 0.507 -12.374 -4.658 160 H LEU 32 HN LEU 32 0.462 -9.733 -4.213 161 HA LEU 32 HA LEU 32 0.120 -7.159 -3.131 162 HB2 LEU 32 HB2 LEU 32 1.638 -7.711 -5.003 163 HB3 LEU 32 HB1 LEU 32 0.247 -8.002 -6.029 164 HG LEU 32 HG LEU 32 -0.398 -5.576 -5.643 165 HD11 LEU 32 HD11 LEU 32 1.576 -4.121 -5.034 166 HD12 LEU 32 HD12 LEU 32 2.329 -5.581 -4.391 167 HD13 LEU 32 HD13 LEU 32 0.810 -5.000 -3.710 168 HD21 LEU 32 HD21 LEU 32 0.560 -6.252 -7.736 169 HD22 LEU 32 HD22 LEU 32 2.184 -6.240 -7.047 170 HD23 LEU 32 HD23 LEU 32 1.300 -4.726 -7.245 171 H SER 33 HN SER 33 -1.843 -8.983 -5.481 172 HA SER 33 HA SER 33 -3.836 -7.005 -5.752 173 HB2 SER 33 HB2 SER 33 -3.893 -9.988 -6.251 174 HB3 SER 33 HB1 SER 33 -5.217 -8.900 -6.675 175 HG SER 33 HG SER 33 -3.302 -9.461 -8.225 176 H GLU 34 HN GLU 34 -3.282 -9.495 -3.398 177 HA GLU 34 HA GLU 34 -5.858 -9.602 -2.255 178 HB2 GLU 34 HB2 GLU 34 -3.832 -11.161 -1.878 179 HB3 GLU 34 HB1 GLU 34 -3.305 -9.969 -0.700 180 HG2 GLU 34 HG2 GLU 34 -4.448 -11.699 0.457 181 HG3 GLU 34 HG1 GLU 34 -5.472 -10.261 0.476 182 H CYS 35 HN CYS 35 -3.151 -7.432 -1.920 183 HA CYS 35 HA CYS 35 -4.149 -6.038 0.374 184 HB2 CYS 35 HB2 CYS 35 -1.739 -6.068 -0.221 185 HB3 CYS 35 HB1 CYS 35 -2.101 -5.165 -1.687 186 H ARG 36 HN ARG 36 -4.291 -5.632 -3.122 187 HA ARG 36 HA ARG 36 -5.506 -3.086 -3.167 188 HB2 ARG 36 HB2 ARG 36 -4.429 -4.310 -5.117 189 HB3 ARG 36 HB1 ARG 36 -5.905 -5.260 -5.224 190 HG2 ARG 36 HG2 ARG 36 -7.174 -3.152 -5.550 191 HG3 ARG 36 HG1 ARG 36 -5.639 -2.282 -5.589 192 HD2 ARG 36 HD2 ARG 36 -6.618 -4.380 -7.517 193 HD3 ARG 36 HD1 ARG 36 -6.319 -2.677 -7.844 194 HE ARG 36 HE ARG 36 -3.981 -3.092 -7.733 195 HH11 ARG 36 HH11 ARG 36 -5.996 -5.988 -7.617 196 HH12 ARG 36 HH12 ARG 36 -4.621 -7.088 -8.021 197 HH21 ARG 36 HH21 ARG 36 -2.223 -4.454 -8.198 198 HH22 ARG 36 HH22 ARG 36 -2.512 -6.232 -8.337 199 H ALA 37 HN ALA 37 -6.733 -6.325 -2.757 200 HA ALA 37 HA ALA 37 -9.458 -5.906 -3.218 201 HB1 ALA 37 HB1 ALA 37 -8.163 -7.810 -1.268 202 HB2 ALA 37 HB2 ALA 37 -8.490 -8.130 -2.971 203 HB3 ALA 37 HB3 ALA 37 -9.826 -7.897 -1.845 204 H ARG 38 HN ARG 38 -7.455 -5.136 -0.453 205 HA ARG 38 HA ARG 38 -9.717 -4.509 1.247 206 HB2 ARG 38 HB2 ARG 38 -6.744 -4.438 1.557 207 HB3 ARG 38 HB1 ARG 38 -7.724 -3.459 2.639 208 HG2 ARG 38 HG2 ARG 38 -7.410 -5.446 3.802 209 HG3 ARG 38 HG1 ARG 38 -9.024 -5.616 3.112 210 HD2 ARG 38 HD2 ARG 38 -7.733 -6.746 1.144 211 HD3 ARG 38 HD1 ARG 38 -6.479 -6.972 2.363 212 HE ARG 38 HE ARG 38 -8.688 -7.905 3.597 213 HH11 ARG 38 HH11 ARG 38 -7.212 -8.524 0.466 214 HH12 ARG 38 HH12 ARG 38 -7.835 -10.220 0.370 215 HH21 ARG 38 HH21 ARG 38 -9.507 -10.031 3.525 216 HH22 ARG 38 HH22 ARG 38 -9.147 -11.048 2.077 217 H CYS 39 HN CYS 39 -7.363 -2.849 -0.734 218 HA CYS 39 HA CYS 39 -8.063 -0.231 0.133 219 HB2 CYS 39 HB2 CYS 39 -6.028 -1.331 -1.398 220 HB3 CYS 39 HB1 CYS 39 -6.930 -0.337 -2.537 221 H GLN 40 HN GLN 40 -9.162 -2.320 -2.491 222 HA GLN 40 HA GLN 40 -10.608 -0.287 -3.849 223 HB2 GLN 40 HB2 GLN 40 -11.594 -2.041 -5.145 224 HB3 GLN 40 HB1 GLN 40 -9.910 -2.456 -4.871 225 HG2 GLN 40 HG2 GLN 40 -10.742 -3.887 -2.940 226 HG3 GLN 40 HG1 GLN 40 -12.355 -3.655 -3.614 227 HE21 GLN 40 HE21 GLN 40 -12.558 -5.854 -4.036 228 HE22 GLN 40 HE22 GLN 40 -11.714 -6.622 -5.335 229 H ALA 41 HN ALA 41 -11.252 -2.186 -1.055 230 HA ALA 41 HA ALA 41 -14.086 -1.978 -1.072 231 HB1 ALA 41 HB1 ALA 41 -13.978 -2.739 1.222 232 HB2 ALA 41 HB2 ALA 41 -12.252 -2.386 1.286 233 HB3 ALA 41 HB3 ALA 41 -12.850 -3.671 0.236 234 H GLU 42 HN GLU 42 -11.479 -0.011 0.222 235 HA GLU 42 HA GLU 42 -13.388 1.844 1.406 236 HB2 GLU 42 HB2 GLU 42 -10.371 1.793 1.463 237 HB3 GLU 42 HB1 GLU 42 -11.364 2.998 2.270 238 HG2 GLU 42 HG2 GLU 42 -11.529 0.046 2.824 239 HG3 GLU 42 HG1 GLU 42 -10.525 1.168 3.739 240 H LYS 43 HN LYS 43 -13.980 3.705 0.492 241 HA LYS 43 HA LYS 43 -13.151 4.303 -2.180 242 HB2 LYS 43 HB2 LYS 43 -15.456 4.709 -1.371 243 HB3 LYS 43 HB1 LYS 43 -14.841 5.935 -0.272 244 HG2 LYS 43 HG2 LYS 43 -14.027 7.211 -2.240 245 HG3 LYS 43 HG1 LYS 43 -14.813 6.021 -3.281 246 HD2 LYS 43 HD2 LYS 43 -16.971 6.582 -2.394 247 HD3 LYS 43 HD1 LYS 43 -16.247 7.632 -1.172 248 HE2 LYS 43 HE2 LYS 43 -15.430 9.123 -2.913 249 HE3 LYS 43 HE1 LYS 43 -16.087 8.056 -4.154 250 HZ1 LYS 43 HZ1 LYS 43 -17.548 9.911 -3.759 251 HZ2 LYS 43 HZ2 LYS 43 -17.664 9.525 -2.115 252 HZ3 LYS 43 HZ3 LYS 43 -18.304 8.476 -3.277 253 H GLU 44 HN GLU 44 -12.199 5.333 0.980 254 HA GLU 44 HA GLU 44 -11.012 7.808 0.286 255 HB2 GLU 44 HB2 GLU 44 -10.819 5.946 2.606 256 HB3 GLU 44 HB1 GLU 44 -9.620 7.221 2.446 257 HG2 GLU 44 HG2 GLU 44 -11.667 8.781 2.199 258 HG3 GLU 44 HG1 GLU 44 -12.561 7.440 2.914 259 H CYS 45 HN CYS 45 -9.978 4.546 -0.117 260 HA CYS 45 HA CYS 45 -7.192 4.924 -0.057 261 HB2 CYS 45 HB2 CYS 45 -7.927 2.689 0.039 262 HB3 CYS 45 HB1 CYS 45 -8.937 2.870 -1.394 263 H SER 46 HN SER 46 -5.913 5.993 -1.346 264 HA SER 46 HA SER 46 -6.818 6.599 -4.083 265 HB2 SER 46 HB2 SER 46 -5.155 8.472 -3.956 266 HB3 SER 46 HB1 SER 46 -6.441 8.603 -2.754 267 HG SER 46 HG SER 46 -4.530 8.963 -1.688 268 H HIS 47 HN HIS 47 -4.672 4.820 -2.207 269 HA HIS 47 HA HIS 47 -3.425 3.510 -4.335 270 HB2 HIS 47 HB2 HIS 47 -1.123 4.328 -4.158 271 HB3 HIS 47 HB1 HIS 47 -2.198 5.642 -4.623 272 HD1 HIS 47 HD1 HIS 47 -3.088 7.005 -2.241 273 HD2 HIS 47 HD2 HIS 47 0.635 5.143 -2.299 274 HE1 HIS 47 HE1 HIS 47 -1.761 8.086 -0.403 275 HE2 HIS 47 HE2 HIS 47 0.427 6.829 -0.354 276 H TYR 48 HN TYR 48 -2.434 1.656 -3.588 277 HA TYR 48 HA TYR 48 -2.419 1.346 -0.661 278 HB2 TYR 48 HB2 TYR 48 -2.710 -1.046 -1.020 279 HB3 TYR 48 HB1 TYR 48 -3.970 -0.158 -1.867 280 HD1 TYR 48 HD2 TYR 48 -4.031 -0.108 -4.295 281 HD2 TYR 48 HD1 TYR 48 -0.992 -2.267 -2.248 282 HE1 TYR 48 HE2 TYR 48 -3.460 -1.276 -6.380 283 HE2 TYR 48 HE1 TYR 48 -0.416 -3.442 -4.331 284 HH TYR 48 HH TYR 48 -1.875 -2.541 -7.415 285 H THR 49 HN THR 49 -0.710 0.211 0.328 286 HA THR 49 HA THR 49 1.720 -0.067 -1.308 287 HB THR 49 HB THR 49 1.600 1.024 1.517 288 HG1 THR 49 HG1 THR 49 2.296 2.301 -0.948 289 HG21 THR 49 HG21 THR 49 3.611 -0.309 1.113 290 HG22 THR 49 HG22 THR 49 4.006 1.406 1.248 291 HG23 THR 49 HG23 THR 49 3.951 0.631 -0.337 292 H TYR 50 HN TYR 50 2.003 -2.212 -1.418 293 HA TYR 50 HA TYR 50 1.435 -3.854 0.940 294 HB2 TYR 50 HB2 TYR 50 0.486 -4.637 -1.165 295 HB3 TYR 50 HB1 TYR 50 2.074 -4.611 -1.921 296 HD1 TYR 50 HD1 TYR 50 0.709 -6.037 1.268 297 HD2 TYR 50 HD2 TYR 50 2.855 -6.729 -2.341 298 HE1 TYR 50 HE1 TYR 50 1.054 -8.381 1.926 299 HE2 TYR 50 HE2 TYR 50 3.205 -9.074 -1.693 300 HH TYR 50 HH TYR 50 1.603 -10.471 1.078 301 H ASN 51 HN ASN 51 3.028 -4.274 2.289 302 HA ASN 51 HA ASN 51 5.787 -3.965 1.392 303 HB2 ASN 51 HB2 ASN 51 5.135 -2.852 3.479 304 HB3 ASN 51 HB1 ASN 51 4.649 -4.397 4.168 305 HD21 ASN 51 HD21 ASN 51 7.325 -2.401 3.162 306 HD22 ASN 51 HD22 ASN 51 8.542 -3.287 4.033 307 H VAL 52 HN VAL 52 6.403 -5.724 0.303 308 HA VAL 52 HA VAL 52 5.588 -8.376 0.937 309 HB VAL 52 HB VAL 52 6.278 -7.596 -1.337 310 HG11 VAL 52 HG11 VAL 52 9.033 -7.689 -0.125 311 HG12 VAL 52 HG12 VAL 52 8.211 -6.286 -0.809 312 HG13 VAL 52 HG13 VAL 52 8.707 -7.616 -1.856 313 HG21 VAL 52 HG21 VAL 52 7.795 -9.982 -0.291 314 HG22 VAL 52 HG22 VAL 52 7.392 -9.665 -1.980 315 HG23 VAL 52 HG23 VAL 52 6.109 -9.981 -0.809 316 H LYS 53 HN LYS 53 7.872 -6.331 2.334 317 HA LYS 53 HA LYS 53 9.888 -8.197 3.039 318 HB2 LYS 53 HB2 LYS 53 9.125 -5.447 3.866 319 HB3 LYS 53 HB1 LYS 53 10.147 -6.361 4.964 320 HG2 LYS 53 HG2 LYS 53 10.860 -6.139 2.070 321 HG3 LYS 53 HG1 LYS 53 11.237 -4.831 3.196 322 HD2 LYS 53 HD2 LYS 53 12.286 -6.676 4.650 323 HD3 LYS 53 HD1 LYS 53 12.234 -7.661 3.188 324 HE2 LYS 53 HE2 LYS 53 13.502 -4.935 3.282 325 HE3 LYS 53 HE1 LYS 53 14.393 -6.417 3.627 326 HZ1 LYS 53 HZ1 LYS 53 13.115 -5.614 1.083 327 HZ2 LYS 53 HZ2 LYS 53 13.616 -7.201 1.384 328 HZ3 LYS 53 HZ3 LYS 53 14.748 -5.947 1.373 329 H SER 54 HN SER 54 6.782 -7.388 4.403 330 HA SER 54 HA SER 54 7.242 -9.433 6.465 331 HB2 SER 54 HB2 SER 54 7.186 -6.808 7.104 332 HB3 SER 54 HB1 SER 54 5.467 -7.182 7.211 333 HG SER 54 HG SER 54 6.527 -9.139 8.455 334 H GLY 55 HN GLY 55 5.335 -8.342 3.929 335 HA2 GLY 55 HA2 GLY 55 3.470 -9.352 2.996 336 HA3 GLY 55 HA1 GLY 55 3.370 -10.401 4.406 337 H LEU 56 HN LEU 56 3.563 -6.955 4.735 338 HA LEU 56 HA LEU 56 0.867 -6.952 5.874 339 HB2 LEU 56 HB2 LEU 56 3.178 -5.035 6.164 340 HB3 LEU 56 HB1 LEU 56 1.585 -4.740 6.835 341 HG LEU 56 HG LEU 56 3.228 -7.160 7.549 342 HD11 LEU 56 HD11 LEU 56 3.081 -4.506 8.977 343 HD12 LEU 56 HD12 LEU 56 4.494 -5.179 8.164 344 HD13 LEU 56 HD13 LEU 56 3.845 -5.968 9.601 345 HD21 LEU 56 HD21 LEU 56 1.738 -7.362 9.404 346 HD22 LEU 56 HD22 LEU 56 0.761 -7.201 7.946 347 HD23 LEU 56 HD23 LEU 56 0.967 -5.821 9.026 348 H CYS 57 HN CYS 57 -0.722 -5.656 5.153 349 HA CYS 57 HA CYS 57 -0.240 -4.247 2.620 350 HB2 CYS 57 HB2 CYS 57 -1.916 -5.967 2.416 351 HB3 CYS 57 HB1 CYS 57 -2.748 -5.395 3.856 352 H TYR 58 HN TYR 58 -0.626 -2.097 2.461 353 HA TYR 58 HA TYR 58 -1.728 -0.764 4.844 354 HB2 TYR 58 HB2 TYR 58 0.527 0.223 3.094 355 HB3 TYR 58 HB1 TYR 58 -0.186 1.111 4.432 356 HD1 TYR 58 HD2 TYR 58 1.996 -1.682 3.492 357 HD2 TYR 58 HD1 TYR 58 0.364 0.555 6.722 358 HE1 TYR 58 HE2 TYR 58 3.679 -2.642 5.002 359 HE2 TYR 58 HE1 TYR 58 2.053 -0.394 8.239 360 HH TYR 58 HH TYR 58 4.778 -2.105 7.093 361 HA PRO 59 HA PRO 59 -4.283 0.673 1.274 362 HB2 PRO 59 HB2 PRO 59 -6.351 0.861 3.357 363 HB3 PRO 59 HB1 PRO 59 -6.397 -0.018 1.824 364 HG2 PRO 59 HG2 PRO 59 -6.260 -1.300 4.182 365 HG3 PRO 59 HG1 PRO 59 -5.477 -1.924 2.717 366 HD2 PRO 59 HD2 PRO 59 -4.262 -0.483 5.032 367 HD3 PRO 59 HD1 PRO 59 -3.637 -1.865 4.107 368 H LYS 60 HN LYS 60 -3.420 2.714 1.058 369 HA LYS 60 HA LYS 60 -3.742 4.561 3.307 370 HB2 LYS 60 HB2 LYS 60 -1.867 4.611 0.948 371 HB3 LYS 60 HB1 LYS 60 -2.001 5.914 2.125 372 HG2 LYS 60 HG2 LYS 60 -1.133 4.618 3.846 373 HG3 LYS 60 HG1 LYS 60 -1.465 3.109 3.001 374 HD2 LYS 60 HD2 LYS 60 0.256 3.729 1.329 375 HD3 LYS 60 HD1 LYS 60 0.648 5.142 2.316 376 HE2 LYS 60 HE2 LYS 60 1.076 3.579 4.221 377 HE3 LYS 60 HE1 LYS 60 0.887 2.242 3.091 378 HZ1 LYS 60 HZ1 LYS 60 2.736 3.142 1.804 379 HZ2 LYS 60 HZ2 LYS 60 3.202 2.771 3.390 380 HZ3 LYS 60 HZ3 LYS 60 2.938 4.379 2.943 381 H ARG 61 HN ARG 61 -4.210 6.744 2.928 382 HA ARG 61 HA ARG 61 -5.956 7.256 0.611 383 HB2 ARG 61 HB2 ARG 61 -7.368 8.603 2.157 384 HB3 ARG 61 HB1 ARG 61 -7.329 6.898 2.590 385 HG2 ARG 61 HG2 ARG 61 -5.529 7.465 4.248 386 HG3 ARG 61 HG1 ARG 61 -5.864 9.164 3.916 387 HD2 ARG 61 HD2 ARG 61 -7.961 9.071 4.889 388 HD3 ARG 61 HD1 ARG 61 -8.082 7.320 4.698 389 HE ARG 61 HE ARG 61 -5.960 8.151 6.451 390 HH11 ARG 61 HH11 ARG 61 -9.398 7.406 6.227 391 HH12 ARG 61 HH12 ARG 61 -9.507 6.938 7.969 392 HH21 ARG 61 HH21 ARG 61 -6.054 7.541 8.637 393 HH22 ARG 61 HH22 ARG 61 -7.642 6.997 9.310 394 H GLY 62 HN GLY 62 -6.490 9.858 0.936 395 HA2 GLY 62 HA2 GLY 62 -5.678 11.993 0.833 396 HA3 GLY 62 HA1 GLY 62 -4.305 11.465 1.790 397 H LYS 63 HN LYS 63 -3.178 13.007 0.363 398 HA LYS 63 HA LYS 63 -2.825 12.279 -2.385 399 HB2 LYS 63 HB2 LYS 63 -1.267 14.125 -2.496 400 HB3 LYS 63 HB1 LYS 63 -2.706 14.627 -1.620 401 HG2 LYS 63 HG2 LYS 63 -1.575 14.501 0.471 402 HG3 LYS 63 HG1 LYS 63 -0.167 13.738 -0.274 403 HD2 LYS 63 HD2 LYS 63 -0.054 15.871 -1.714 404 HD3 LYS 63 HD1 LYS 63 -1.124 16.566 -0.496 405 HE2 LYS 63 HE2 LYS 63 0.469 16.235 1.226 406 HE3 LYS 63 HE1 LYS 63 1.474 15.222 0.191 407 HZ1 LYS 63 HZ1 LYS 63 2.451 17.375 0.342 408 HZ2 LYS 63 HZ2 LYS 63 1.007 18.136 -0.091 409 HZ3 LYS 63 HZ3 LYS 63 1.837 17.200 -1.224 410 HA PRO 64 HA PRO 64 0.380 9.326 -1.821 411 HB2 PRO 64 HB2 PRO 64 1.564 9.460 -4.262 412 HB3 PRO 64 HB1 PRO 64 0.000 8.679 -3.988 413 HG2 PRO 64 HG2 PRO 64 0.579 11.390 -5.081 414 HG3 PRO 64 HG1 PRO 64 -0.640 10.206 -5.594 415 HD2 PRO 64 HD2 PRO 64 -1.240 12.350 -4.043 416 HD3 PRO 64 HD1 PRO 64 -2.120 10.810 -3.951 417 H GLN 65 HN GLN 65 2.253 9.404 -0.851 418 HA GLN 65 HA GLN 65 4.182 11.523 -1.517 419 HB2 GLN 65 HB2 GLN 65 3.494 10.416 1.220 420 HB3 GLN 65 HB1 GLN 65 4.870 11.461 0.897 421 HG2 GLN 65 HG2 GLN 65 3.609 13.315 0.746 422 HG3 GLN 65 HG1 GLN 65 2.252 12.468 0.002 423 HE21 GLN 65 HE21 GLN 65 0.639 11.659 1.279 424 HE22 GLN 65 HE22 GLN 65 0.543 11.944 2.983 425 H PHE 66 HN PHE 66 5.166 10.046 -2.927 426 HA PHE 66 HA PHE 66 5.919 7.418 -2.101 427 HB2 PHE 66 HB2 PHE 66 6.771 9.020 -4.512 428 HB3 PHE 66 HB1 PHE 66 7.040 7.298 -4.283 429 HD1 PHE 66 HD1 PHE 66 4.327 6.637 -3.080 430 HD2 PHE 66 HD2 PHE 66 5.464 8.963 -6.457 431 HE1 PHE 66 HE1 PHE 66 2.154 6.172 -4.136 432 HE2 PHE 66 HE2 PHE 66 3.292 8.500 -7.515 433 HZ PHE 66 HZ PHE 66 1.636 7.104 -6.353 434 H TYR 67 HN TYR 67 7.950 6.548 -1.912 435 HA TYR 67 HA TYR 67 10.330 8.125 -1.840 436 HB2 TYR 67 HB2 TYR 67 10.866 8.025 0.459 437 HB3 TYR 67 HB1 TYR 67 9.200 8.571 0.414 438 HD1 TYR 67 HD2 TYR 67 7.368 6.965 1.026 439 HD2 TYR 67 HD1 TYR 67 11.482 6.010 1.553 440 HE1 TYR 67 HE2 TYR 67 6.750 5.172 2.592 441 HE2 TYR 67 HE1 TYR 67 10.869 4.220 3.121 442 HH TYR 67 HH TYR 67 7.894 2.921 3.357 443 H LYS 68 HN LYS 68 12.194 6.806 -1.843 444 HA LYS 68 HA LYS 68 11.760 4.213 -2.919 445 HB2 LYS 68 HB2 LYS 68 14.246 5.698 -2.102 446 HB3 LYS 68 HB1 LYS 68 14.302 4.062 -2.738 447 HG2 LYS 68 HG2 LYS 68 12.748 5.921 -4.372 448 HG3 LYS 68 HG1 LYS 68 14.458 6.332 -4.226 449 HD2 LYS 68 HD2 LYS 68 14.259 4.932 -6.135 450 HD3 LYS 68 HD1 LYS 68 14.968 3.944 -4.860 451 HE2 LYS 68 HE2 LYS 68 12.796 2.944 -4.404 452 HE3 LYS 68 HE1 LYS 68 12.049 3.970 -5.626 453 HZ1 LYS 68 HZ1 LYS 68 12.430 1.818 -6.549 454 HZ2 LYS 68 HZ2 LYS 68 14.058 1.837 -6.083 455 HZ3 LYS 68 HZ3 LYS 68 13.512 2.894 -7.277 456 H TYR 69 HN TYR 69 11.539 2.318 -1.938 457 HA TYR 69 HA TYR 69 12.903 1.747 0.558 458 HB2 TYR 69 HB2 TYR 69 10.570 2.837 1.013 459 HB3 TYR 69 HB1 TYR 69 9.943 1.264 0.528 460 HD1 TYR 69 HD1 TYR 69 12.688 2.560 2.706 461 HD2 TYR 69 HD2 TYR 69 9.445 -0.162 2.279 462 HE1 TYR 69 HE1 TYR 69 13.096 1.722 4.977 463 HE2 TYR 69 HE2 TYR 69 9.851 -1.008 4.552 464 HH TYR 69 HH TYR 69 12.002 0.593 6.733 465 H LEU 70 HN LEU 70 13.789 -0.181 0.232 466 HA LEU 70 HA LEU 70 12.874 -1.939 -1.829 467 HB2 LEU 70 HB2 LEU 70 15.263 -1.541 -0.507 468 HB3 LEU 70 HB1 LEU 70 14.731 -3.096 0.101 469 HG LEU 70 HG LEU 70 15.082 -2.397 -2.815 470 HD11 LEU 70 HD11 LEU 70 17.195 -2.532 -1.558 471 HD12 LEU 70 HD12 LEU 70 17.025 -3.816 -2.753 472 HD13 LEU 70 HD13 LEU 70 16.758 -4.160 -1.045 473 HD21 LEU 70 HD21 LEU 70 14.434 -5.019 -1.471 474 HD22 LEU 70 HD22 LEU 70 14.786 -4.803 -3.185 475 HD23 LEU 70 HD23 LEU 70 13.346 -4.067 -2.483 476 H GLY 71 HN GLY 71 10.728 -2.386 -1.157 477 HA2 GLY 71 HA2 GLY 71 10.154 -4.800 -0.163 478 HA3 GLY 71 HA1 GLY 71 10.333 -3.860 1.312 479 H ASP 72 HN ASP 72 9.294 -1.461 -0.207 480 HA ASP 72 HA ASP 72 6.481 -2.023 0.287 481 HB2 ASP 72 HB2 ASP 72 8.148 0.446 0.098 482 HB3 ASP 72 HB1 ASP 72 6.434 0.579 -0.272 483 H MET 73 HN MET 73 5.066 -2.382 -1.264 484 HA MET 73 HA MET 73 5.762 -1.634 -4.031 485 HB2 MET 73 HB2 MET 73 3.987 -3.905 -3.103 486 HB3 MET 73 HB1 MET 73 4.408 -3.534 -4.768 487 HG2 MET 73 HG2 MET 73 6.682 -4.156 -4.407 488 HG3 MET 73 HG1 MET 73 6.428 -4.289 -2.669 489 HE1 MET 73 HE1 MET 73 4.653 -7.218 -5.777 490 HE2 MET 73 HE2 MET 73 5.722 -5.881 -6.193 491 HE3 MET 73 HE3 MET 73 4.092 -5.556 -5.607 492 H THR 74 HN THR 74 4.744 0.344 -4.105 493 HA THR 74 HA THR 74 1.977 0.547 -3.236 494 HB THR 74 HB THR 74 3.836 2.662 -4.340 495 HG1 THR 74 HG1 THR 74 4.582 2.227 -2.350 496 HG21 THR 74 HG21 THR 74 1.497 3.245 -4.741 497 HG22 THR 74 HG22 THR 74 2.187 4.267 -3.481 498 HG23 THR 74 HG23 THR 74 1.118 2.933 -3.048 499 H GLY 75 HN GLY 75 0.243 0.795 -4.528 500 HA2 GLY 75 HA2 GLY 75 0.625 1.115 -7.417 501 HA3 GLY 75 HA1 GLY 75 -0.250 -0.302 -6.848 502 H SER 76 HN SER 76 -1.801 1.006 -8.410 503 HA SER 76 HA SER 76 -3.185 3.167 -7.037 504 HB2 SER 76 HB2 SER 76 -3.808 1.913 -9.720 505 HB3 SER 76 HB1 SER 76 -4.405 3.455 -9.105 506 HG SER 76 HG SER 76 -2.491 4.367 -9.454 507 H ARG 77 HN ARG 77 -5.460 3.087 -6.598 508 HA ARG 77 HA ARG 77 -6.288 0.814 -5.225 509 HB2 ARG 77 HB2 ARG 77 -7.168 3.065 -4.803 510 HB3 ARG 77 HB1 ARG 77 -8.002 3.034 -6.350 511 HG2 ARG 77 HG2 ARG 77 -9.357 1.146 -5.580 512 HG3 ARG 77 HG1 ARG 77 -8.534 1.194 -4.022 513 HD2 ARG 77 HD2 ARG 77 -9.485 3.267 -3.463 514 HD3 ARG 77 HD1 ARG 77 -9.973 3.583 -5.125 515 HE ARG 77 HE ARG 77 -11.286 1.759 -3.243 516 HH11 ARG 77 HH11 ARG 77 -11.214 3.466 -6.318 517 HH12 ARG 77 HH12 ARG 77 -12.891 2.979 -6.763 518 HH21 ARG 77 HH21 ARG 77 -13.414 1.099 -3.771 519 HH22 ARG 77 HH22 ARG 77 -14.128 1.656 -5.336 520 H THR 78 HN THR 78 -6.764 1.661 -8.590 521 HA THR 78 HA THR 78 -8.580 -0.615 -8.910 522 HB THR 78 HB THR 78 -9.268 1.574 -9.881 523 HG1 THR 78 HG1 THR 78 -8.803 -0.593 -11.681 524 HG21 THR 78 HG21 THR 78 -8.149 2.305 -11.977 525 HG22 THR 78 HG22 THR 78 -6.884 1.116 -11.677 526 HG23 THR 78 HG23 THR 78 -7.121 2.453 -10.553 527 H CYS 79 HN CYS 79 -5.332 -0.189 -8.956 528 HA CYS 79 HA CYS 79 -4.777 -2.597 -10.277 529 HB2 CYS 79 HB2 CYS 79 -5.359 -0.954 -12.229 530 HB3 CYS 79 HB1 CYS 79 -3.765 -0.282 -11.910 531 H1 GAL 83 H1 GTP 1 5.449 2.302 8.314 532 H2 GAL 83 H2 GTP 1 5.325 4.178 5.908 533 H3 GAL 83 H3 GTP 1 3.292 2.334 7.222 534 H4 GAL 83 H4 GTP 1 3.459 1.119 5.094 535 H5 GAL 83 H5 GTP 1 4.894 0.491 6.952 536 H61 GAL 83 H61 GTP 1 6.893 0.336 4.782 537 H62 GAL 83 H62 GTP 1 5.292 -0.284 4.377 538 HO2 GAL 83 HO2 GTP 1 4.717 4.455 8.589 539 HO3 GAL 83 HO3 GTP 1 2.614 4.437 6.238 540 HO4 GAL 83 HO4 GTP 1 5.496 1.893 3.815 541 HO6 GAL 83 HO6 GTP 1 6.853 -1.800 5.376 542 H1 NAG 84 H1 GCP 2 10.250 2.991 5.549 543 H2 NAG 84 H2 GCP 2 9.595 3.472 8.508 544 H3 NAG 84 H3 GCP 2 7.887 3.487 5.992 545 H4 NAG 84 H4 GCP 2 8.768 5.636 7.965 546 H5 NAG 84 H5 GCP 2 9.384 5.110 5.013 547 H61 NAG 84 H61 GCP 2 9.420 7.434 5.193 548 H62 NAG 84 H62 GCP 2 11.093 6.953 5.489 549 H81 NAG 84 HC23 GCP 2 7.769 -0.692 9.428 550 H82 NAG 84 HC21 GCP 2 7.839 -0.589 7.671 551 H83 NAG 84 HC22 GCP 2 9.294 -0.978 8.591 552 HN2 NAG 84 HN2 GCP 2 9.117 1.140 6.734 553 HO1 NAG 84 HO1 GCP 2 12.413 3.249 6.792 554 HO4 NAG 84 HO4 GCP 2 6.582 5.756 7.005 555 HO6 NAG 84 HO6 GCP 2 10.649 7.291 7.732 Start of MODEL 6 1 H CYS 10 HT1 CYS 10 0.361 0.444 -15.195 2 HA CYS 10 HA CYS 10 -1.173 2.318 -13.514 3 HB2 CYS 10 HB2 CYS 10 -1.964 0.243 -12.350 4 HB3 CYS 10 HB1 CYS 10 -2.607 0.446 -13.975 5 H VAL 11 HN VAL 11 -0.458 2.370 -11.336 6 HA VAL 11 HA VAL 11 2.365 1.991 -11.054 7 HB VAL 11 HB VAL 11 0.360 2.655 -8.888 8 HG11 VAL 11 HG11 VAL 11 2.539 1.901 -8.053 9 HG12 VAL 11 HG12 VAL 11 2.266 3.608 -7.709 10 HG13 VAL 11 HG13 VAL 11 3.337 3.135 -9.028 11 HG21 VAL 11 HG21 VAL 11 2.005 4.572 -10.531 12 HG22 VAL 11 HG22 VAL 11 0.794 4.969 -9.313 13 HG23 VAL 11 HG23 VAL 11 0.304 4.217 -10.833 14 H HIS 12 HN HIS 12 3.387 0.202 -10.439 15 HA HIS 12 HA HIS 12 2.314 -1.524 -8.417 16 HB2 HIS 12 HB2 HIS 12 2.196 -3.568 -9.708 17 HB3 HIS 12 HB1 HIS 12 1.141 -2.371 -10.444 18 HD1 HIS 12 HD1 HIS 12 3.998 -4.586 -11.149 19 HD2 HIS 12 HD2 HIS 12 2.166 -1.306 -12.933 20 HE1 HIS 12 HE1 HIS 12 4.836 -4.546 -13.515 21 HE2 HIS 12 HE2 HIS 12 3.595 -2.654 -14.615 22 H THR 13 HN THR 13 3.921 -2.282 -7.243 23 HA THR 13 HA THR 13 5.996 -2.792 -6.496 24 HB THR 13 HB THR 13 6.964 -3.545 -9.209 25 HG1 THR 13 HG1 THR 13 5.441 -5.544 -8.329 26 HG21 THR 13 HG21 THR 13 6.866 -5.080 -6.608 27 HG22 THR 13 HG22 THR 13 8.198 -4.032 -7.085 28 HG23 THR 13 HG23 THR 13 7.819 -5.466 -8.040 29 H GLY 14 HN GLY 14 8.427 -2.666 -8.338 30 HA2 GLY 14 HA2 GLY 14 9.928 -1.099 -9.141 31 HA3 GLY 14 HA1 GLY 14 8.682 0.130 -8.985 32 H ASN 15 HN ASN 15 9.462 -1.909 -6.298 33 HA ASN 15 HA ASN 15 10.004 -1.364 -4.154 34 HB2 ASN 15 HB2 ASN 15 12.380 -0.528 -3.934 35 HB3 ASN 15 HB1 ASN 15 12.156 -2.004 -4.856 36 HD21 ASN 15 HD21 ASN 15 12.792 1.439 -5.091 37 HD22 ASN 15 HD22 ASN 15 13.535 1.385 -6.654 38 H ILE 16 HN ILE 16 8.192 0.373 -4.692 39 HA ILE 16 HA ILE 16 9.222 2.928 -3.658 40 HB ILE 16 HB ILE 16 7.070 2.518 -5.741 41 HG12 ILE 16 HG12 ILE 16 9.341 2.608 -6.633 42 HG13 ILE 16 HG11 ILE 16 8.442 4.050 -7.087 43 HG21 ILE 16 HG21 ILE 16 6.257 4.136 -4.135 44 HG22 ILE 16 HG22 ILE 16 6.676 4.937 -5.649 45 HG23 ILE 16 HG23 ILE 16 7.760 5.051 -4.263 46 HD11 ILE 16 HD11 ILE 16 10.617 4.742 -6.495 47 HD12 ILE 16 HD12 ILE 16 10.587 3.801 -5.005 48 HD13 ILE 16 HD13 ILE 16 9.555 5.222 -5.171 49 H GLY 17 HN GLY 17 8.367 3.458 -1.775 50 HA2 GLY 17 HA2 GLY 17 5.911 2.072 -0.915 51 HA3 GLY 17 HA1 GLY 17 7.137 2.731 0.163 52 H SER 18 HN SER 18 4.616 3.417 0.721 53 HA SER 18 HA SER 18 4.472 6.197 -0.219 54 HB2 SER 18 HB2 SER 18 2.163 4.331 0.353 55 HB3 SER 18 HB1 SER 18 2.004 6.052 0.002 56 HG SER 18 HG SER 18 3.203 4.135 -1.728 57 H LYS 19 HN LYS 19 5.186 7.361 1.438 58 HA LYS 19 HA LYS 19 4.600 6.599 4.176 59 HB2 LYS 19 HB2 LYS 19 6.823 7.541 3.472 60 HB3 LYS 19 HB1 LYS 19 6.016 9.071 3.158 61 HG2 LYS 19 HG2 LYS 19 5.269 9.010 5.579 62 HG3 LYS 19 HG1 LYS 19 6.424 7.692 5.792 63 HD2 LYS 19 HD2 LYS 19 7.431 9.814 6.424 64 HD3 LYS 19 HD1 LYS 19 8.228 9.157 4.994 65 HE2 LYS 19 HE2 LYS 19 7.757 11.622 4.899 66 HE3 LYS 19 HE1 LYS 19 7.099 10.688 3.559 67 HZ1 LYS 19 HZ1 LYS 19 5.584 11.659 5.924 68 HZ2 LYS 19 HZ2 LYS 19 4.938 10.708 4.685 69 HZ3 LYS 19 HZ3 LYS 19 5.483 12.274 4.349 70 H ALA 20 HN ALA 20 2.253 6.818 3.436 71 HA ALA 20 HA ALA 20 1.320 9.564 3.947 72 HB1 ALA 20 HB1 ALA 20 -0.654 9.000 2.531 73 HB2 ALA 20 HB2 ALA 20 0.149 7.493 2.093 74 HB3 ALA 20 HB3 ALA 20 0.873 9.040 1.649 75 H GLN 21 HN GLN 21 -1.111 9.463 4.599 76 HA GLN 21 HA GLN 21 -1.246 8.028 7.055 77 HB2 GLN 21 HB2 GLN 21 -2.286 10.332 6.313 78 HB3 GLN 21 HB1 GLN 21 -3.640 9.329 5.813 79 HG2 GLN 21 HG2 GLN 21 -2.620 8.867 8.541 80 HG3 GLN 21 HG1 GLN 21 -3.409 10.417 8.253 81 HE21 GLN 21 HE21 GLN 21 -4.283 8.217 9.914 82 HE22 GLN 21 HE22 GLN 21 -5.816 7.705 9.303 83 H THR 22 HN THR 22 -2.207 6.165 7.541 84 HA THR 22 HA THR 22 -3.255 4.520 5.404 85 HB THR 22 HB THR 22 -3.102 3.694 8.293 86 HG1 THR 22 HG1 THR 22 -1.012 3.991 8.214 87 HG21 THR 22 HG21 THR 22 -2.570 1.499 7.280 88 HG22 THR 22 HG22 THR 22 -2.746 2.219 5.678 89 HG23 THR 22 HG23 THR 22 -4.137 2.121 6.757 90 H ILE 23 HN ILE 23 -5.335 3.696 5.279 91 HA ILE 23 HA ILE 23 -7.422 5.349 6.196 92 HB ILE 23 HB ILE 23 -7.502 2.567 5.025 93 HG12 ILE 23 HG12 ILE 23 -8.146 5.238 3.768 94 HG13 ILE 23 HG11 ILE 23 -6.586 4.441 3.620 95 HG21 ILE 23 HG21 ILE 23 -9.519 3.164 6.410 96 HG22 ILE 23 HG22 ILE 23 -9.840 2.793 4.716 97 HG23 ILE 23 HG23 ILE 23 -9.822 4.469 5.261 98 HD11 ILE 23 HD11 ILE 23 -7.597 2.594 2.455 99 HD12 ILE 23 HD12 ILE 23 -8.021 4.109 1.661 100 HD13 ILE 23 HD13 ILE 23 -9.201 3.290 2.683 101 H GLY 24 HN GLY 24 -6.357 2.127 7.333 102 HA2 GLY 24 HA2 GLY 24 -7.602 2.724 9.891 103 HA3 GLY 24 HA1 GLY 24 -8.266 1.350 9.027 104 H GLU 25 HN GLU 25 -7.684 -0.189 10.444 105 HA GLU 25 HA GLU 25 -5.146 -0.421 11.674 106 HB2 GLU 25 HB2 GLU 25 -7.056 -1.448 12.702 107 HB3 GLU 25 HB1 GLU 25 -7.394 -2.397 11.262 108 HG2 GLU 25 HG2 GLU 25 -4.781 -3.065 12.003 109 HG3 GLU 25 HG1 GLU 25 -5.706 -3.012 13.503 110 H VAL 26 HN VAL 26 -3.328 -1.444 11.089 111 HA VAL 26 HA VAL 26 -2.979 -2.226 8.363 112 HB VAL 26 HB VAL 26 -1.104 -2.545 10.717 113 HG11 VAL 26 HG11 VAL 26 -0.549 -4.041 8.863 114 HG12 VAL 26 HG12 VAL 26 0.661 -2.773 9.055 115 HG13 VAL 26 HG13 VAL 26 -0.528 -2.666 7.759 116 HG21 VAL 26 HG21 VAL 26 -1.682 -0.210 10.327 117 HG22 VAL 26 HG22 VAL 26 -1.249 -0.372 8.625 118 HG23 VAL 26 HG23 VAL 26 -0.008 -0.525 9.871 119 H LYS 27 HN LYS 27 -3.332 -4.175 7.524 120 HA LYS 27 HA LYS 27 -3.486 -6.467 9.369 121 HB2 LYS 27 HB2 LYS 27 -5.047 -6.198 6.801 122 HB3 LYS 27 HB1 LYS 27 -5.270 -7.385 8.077 123 HG2 LYS 27 HG2 LYS 27 -6.208 -5.800 9.540 124 HG3 LYS 27 HG1 LYS 27 -5.668 -4.448 8.541 125 HD2 LYS 27 HD2 LYS 27 -7.191 -5.794 6.759 126 HD3 LYS 27 HD1 LYS 27 -8.033 -6.190 8.261 127 HE2 LYS 27 HE2 LYS 27 -7.315 -3.393 7.387 128 HE3 LYS 27 HE1 LYS 27 -8.885 -4.147 7.115 129 HZ1 LYS 27 HZ1 LYS 27 -8.459 -2.649 9.194 130 HZ2 LYS 27 HZ2 LYS 27 -7.827 -4.076 9.857 131 HZ3 LYS 27 HZ3 LYS 27 -9.430 -4.025 9.311 132 H ARG 28 HN ARG 28 -2.843 -8.516 8.539 133 HA ARG 28 HA ARG 28 -0.615 -8.335 6.717 134 HB2 ARG 28 HB2 ARG 28 -0.385 -9.721 8.683 135 HB3 ARG 28 HB1 ARG 28 -1.811 -10.651 8.252 136 HG2 ARG 28 HG2 ARG 28 -0.703 -11.673 6.424 137 HG3 ARG 28 HG1 ARG 28 0.659 -10.557 6.538 138 HD2 ARG 28 HD2 ARG 28 1.205 -12.759 7.459 139 HD3 ARG 28 HD1 ARG 28 1.278 -11.497 8.685 140 HE ARG 28 HE ARG 28 -1.221 -12.959 8.513 141 HH11 ARG 28 HH11 ARG 28 1.923 -12.602 10.054 142 HH12 ARG 28 HH12 ARG 28 1.430 -13.508 11.533 143 HH21 ARG 28 HH21 ARG 28 -1.889 -14.113 10.376 144 HH22 ARG 28 HH22 ARG 28 -0.697 -14.354 11.710 145 H ALA 29 HN ALA 29 -0.477 -9.198 4.691 146 HA ALA 29 HA ALA 29 -2.965 -10.291 3.557 147 HB1 ALA 29 HB1 ALA 29 -0.992 -8.436 2.230 148 HB2 ALA 29 HB2 ALA 29 -2.631 -8.029 2.739 149 HB3 ALA 29 HB3 ALA 29 -2.372 -9.187 1.434 150 H SER 30 HN SER 30 -2.721 -11.901 1.971 151 HA SER 30 HA SER 30 -0.274 -13.426 2.235 152 HB2 SER 30 HB2 SER 30 -1.911 -14.862 0.555 153 HB3 SER 30 HB1 SER 30 -1.876 -15.011 2.312 154 HG SER 30 HG SER 30 -3.831 -14.017 0.697 155 H SER 31 HN SER 31 -1.560 -11.163 0.070 156 HA SER 31 HA SER 31 0.620 -11.466 -1.739 157 HB2 SER 31 HB2 SER 31 -0.883 -11.845 -3.760 158 HB3 SER 31 HB1 SER 31 -0.646 -13.240 -2.708 159 HG SER 31 HG SER 31 -2.725 -13.278 -2.480 160 H LEU 32 HN LEU 32 0.187 -9.984 -3.754 161 HA LEU 32 HA LEU 32 -0.305 -7.375 -2.769 162 HB2 LEU 32 HB2 LEU 32 1.245 -7.926 -4.632 163 HB3 LEU 32 HB1 LEU 32 -0.140 -8.310 -5.635 164 HG LEU 32 HG LEU 32 -0.907 -5.921 -5.308 165 HD11 LEU 32 HD11 LEU 32 1.835 -5.728 -4.088 166 HD12 LEU 32 HD12 LEU 32 0.290 -5.269 -3.374 167 HD13 LEU 32 HD13 LEU 32 0.955 -4.335 -4.714 168 HD21 LEU 32 HD21 LEU 32 0.647 -5.033 -6.978 169 HD22 LEU 32 HD22 LEU 32 0.141 -6.676 -7.371 170 HD23 LEU 32 HD23 LEU 32 1.738 -6.388 -6.684 171 H SER 33 HN SER 33 -2.135 -9.528 -4.920 172 HA SER 33 HA SER 33 -4.293 -7.804 -5.403 173 HB2 SER 33 HB2 SER 33 -4.543 -10.807 -5.236 174 HB3 SER 33 HB1 SER 33 -5.408 -9.693 -6.299 175 HG SER 33 HG SER 33 -3.872 -10.008 -7.686 176 H GLU 34 HN GLU 34 -3.578 -10.015 -2.781 177 HA GLU 34 HA GLU 34 -6.084 -9.990 -1.499 178 HB2 GLU 34 HB2 GLU 34 -3.880 -11.395 -1.084 179 HB3 GLU 34 HB1 GLU 34 -3.546 -10.123 0.083 180 HG2 GLU 34 HG2 GLU 34 -4.601 -11.993 1.171 181 HG3 GLU 34 HG1 GLU 34 -5.687 -10.604 1.188 182 H CYS 35 HN CYS 35 -3.300 -7.863 -1.369 183 HA CYS 35 HA CYS 35 -4.272 -6.213 0.752 184 HB2 CYS 35 HB2 CYS 35 -1.872 -6.365 0.225 185 HB3 CYS 35 HB1 CYS 35 -2.168 -5.659 -1.361 186 H ARG 36 HN ARG 36 -4.329 -6.081 -2.772 187 HA ARG 36 HA ARG 36 -5.387 -3.521 -3.126 188 HB2 ARG 36 HB2 ARG 36 -4.491 -5.071 -4.912 189 HB3 ARG 36 HB1 ARG 36 -6.021 -5.933 -4.833 190 HG2 ARG 36 HG2 ARG 36 -7.081 -3.625 -5.298 191 HG3 ARG 36 HG1 ARG 36 -5.460 -3.174 -5.833 192 HD2 ARG 36 HD2 ARG 36 -6.670 -3.901 -7.752 193 HD3 ARG 36 HD1 ARG 36 -5.509 -5.166 -7.349 194 HE ARG 36 HE ARG 36 -8.315 -5.349 -6.469 195 HH11 ARG 36 HH11 ARG 36 -5.579 -6.609 -8.283 196 HH12 ARG 36 HH12 ARG 36 -6.351 -8.213 -8.558 197 HH21 ARG 36 HH21 ARG 36 -9.333 -7.363 -6.801 198 HH22 ARG 36 HH22 ARG 36 -8.453 -8.635 -7.729 199 H ALA 37 HN ALA 37 -6.996 -6.615 -2.544 200 HA ALA 37 HA ALA 37 -9.646 -5.804 -2.882 201 HB1 ALA 37 HB1 ALA 37 -8.929 -8.146 -2.665 202 HB2 ALA 37 HB2 ALA 37 -10.254 -7.749 -1.570 203 HB3 ALA 37 HB3 ALA 37 -8.606 -7.875 -0.953 204 H ARG 38 HN ARG 38 -7.511 -5.533 -0.091 205 HA ARG 38 HA ARG 38 -9.524 -4.668 1.730 206 HB2 ARG 38 HB2 ARG 38 -6.553 -4.786 1.739 207 HB3 ARG 38 HB1 ARG 38 -7.317 -3.671 2.863 208 HG2 ARG 38 HG2 ARG 38 -7.041 -5.628 4.090 209 HG3 ARG 38 HG1 ARG 38 -8.735 -5.666 3.593 210 HD2 ARG 38 HD2 ARG 38 -7.756 -6.977 1.536 211 HD3 ARG 38 HD1 ARG 38 -6.439 -7.313 2.657 212 HE ARG 38 HE ARG 38 -8.684 -7.926 4.068 213 HH11 ARG 38 HH11 ARG 38 -7.353 -8.884 0.971 214 HH12 ARG 38 HH12 ARG 38 -8.101 -10.531 1.014 215 HH21 ARG 38 HH21 ARG 38 -9.688 -9.972 4.177 216 HH22 ARG 38 HH22 ARG 38 -9.430 -11.136 2.821 217 H CYS 39 HN CYS 39 -7.333 -3.079 -0.481 218 HA CYS 39 HA CYS 39 -7.878 -0.441 0.445 219 HB2 CYS 39 HB2 CYS 39 -5.967 -1.512 -1.159 220 HB3 CYS 39 HB1 CYS 39 -7.028 -0.788 -2.361 221 H GLN 40 HN GLN 40 -9.180 -2.523 -2.091 222 HA GLN 40 HA GLN 40 -10.861 -0.553 -3.261 223 HB2 GLN 40 HB2 GLN 40 -10.811 -3.557 -3.355 224 HB3 GLN 40 HB1 GLN 40 -12.087 -2.640 -4.145 225 HG2 GLN 40 HG2 GLN 40 -10.349 -1.423 -5.425 226 HG3 GLN 40 HG1 GLN 40 -9.138 -2.488 -4.713 227 HE21 GLN 40 HE21 GLN 40 -11.812 -2.248 -6.907 228 HE22 GLN 40 HE22 GLN 40 -11.558 -3.763 -7.707 229 H ALA 41 HN ALA 41 -11.040 -2.234 -0.338 230 HA ALA 41 HA ALA 41 -13.862 -2.443 -0.074 231 HB1 ALA 41 HB1 ALA 41 -11.877 -2.222 2.180 232 HB2 ALA 41 HB2 ALA 41 -12.132 -3.707 1.265 233 HB3 ALA 41 HB3 ALA 41 -13.457 -3.007 2.197 234 H GLU 42 HN GLU 42 -11.653 0.143 0.103 235 HA GLU 42 HA GLU 42 -13.721 1.860 1.300 236 HB2 GLU 42 HB2 GLU 42 -10.978 1.474 2.070 237 HB3 GLU 42 HB1 GLU 42 -11.216 3.137 1.550 238 HG2 GLU 42 HG2 GLU 42 -12.656 1.666 3.736 239 HG3 GLU 42 HG1 GLU 42 -11.588 3.061 3.886 240 H LYS 43 HN LYS 43 -13.836 4.023 0.487 241 HA LYS 43 HA LYS 43 -13.153 4.150 -2.352 242 HB2 LYS 43 HB2 LYS 43 -14.677 6.039 -2.457 243 HB3 LYS 43 HB1 LYS 43 -15.457 4.692 -1.640 244 HG2 LYS 43 HG2 LYS 43 -15.036 5.737 0.520 245 HG3 LYS 43 HG1 LYS 43 -14.213 7.078 -0.280 246 HD2 LYS 43 HD2 LYS 43 -16.343 7.923 0.077 247 HD3 LYS 43 HD1 LYS 43 -16.431 7.342 -1.585 248 HE2 LYS 43 HE2 LYS 43 -18.415 6.618 -0.503 249 HE3 LYS 43 HE1 LYS 43 -17.381 5.200 -0.667 250 HZ1 LYS 43 HZ1 LYS 43 -18.410 5.356 1.525 251 HZ2 LYS 43 HZ2 LYS 43 -17.639 6.835 1.795 252 HZ3 LYS 43 HZ3 LYS 43 -16.724 5.426 1.626 253 H GLU 44 HN GLU 44 -12.121 5.299 0.663 254 HA GLU 44 HA GLU 44 -10.868 7.724 -0.148 255 HB2 GLU 44 HB2 GLU 44 -10.627 5.930 2.254 256 HB3 GLU 44 HB1 GLU 44 -9.582 7.331 2.053 257 HG2 GLU 44 HG2 GLU 44 -12.539 7.649 1.843 258 HG3 GLU 44 HG1 GLU 44 -11.777 7.515 3.428 259 H CYS 45 HN CYS 45 -10.063 4.441 -0.533 260 HA CYS 45 HA CYS 45 -7.249 4.583 -0.429 261 HB2 CYS 45 HB2 CYS 45 -8.173 2.424 -0.310 262 HB3 CYS 45 HB1 CYS 45 -9.162 2.676 -1.745 263 H SER 46 HN SER 46 -5.987 5.747 -1.672 264 HA SER 46 HA SER 46 -6.710 6.065 -4.507 265 HB2 SER 46 HB2 SER 46 -5.261 8.124 -4.420 266 HB3 SER 46 HB1 SER 46 -6.703 8.221 -3.408 267 HG SER 46 HG SER 46 -4.990 8.925 -2.182 268 H HIS 47 HN HIS 47 -4.748 4.455 -2.429 269 HA HIS 47 HA HIS 47 -3.067 3.347 -4.367 270 HB2 HIS 47 HB2 HIS 47 -0.886 4.296 -3.679 271 HB3 HIS 47 HB1 HIS 47 -1.934 5.521 -4.383 272 HD1 HIS 47 HD1 HIS 47 -3.221 7.074 -2.511 273 HD2 HIS 47 HD2 HIS 47 0.138 4.965 -1.258 274 HE1 HIS 47 HE1 HIS 47 -2.495 8.169 -0.373 275 HE2 HIS 47 HE2 HIS 47 -0.586 6.757 0.458 276 H TYR 48 HN TYR 48 -2.312 1.447 -3.565 277 HA TYR 48 HA TYR 48 -2.445 1.124 -0.639 278 HB2 TYR 48 HB2 TYR 48 -2.803 -1.293 -1.039 279 HB3 TYR 48 HB1 TYR 48 -4.081 -0.300 -1.722 280 HD1 TYR 48 HD2 TYR 48 -4.252 -0.028 -4.174 281 HD2 TYR 48 HD1 TYR 48 -1.410 -2.660 -2.420 282 HE1 TYR 48 HE2 TYR 48 -3.977 -1.160 -6.338 283 HE2 TYR 48 HE1 TYR 48 -1.129 -3.807 -4.579 284 HH TYR 48 HH TYR 48 -2.320 -2.544 -7.509 285 H THR 49 HN THR 49 -0.742 0.274 0.454 286 HA THR 49 HA THR 49 1.681 -0.237 -1.142 287 HB THR 49 HB THR 49 1.703 0.737 1.710 288 HG1 THR 49 HG1 THR 49 1.266 2.135 -0.671 289 HG21 THR 49 HG21 THR 49 3.963 1.470 1.148 290 HG22 THR 49 HG22 THR 49 3.749 0.902 -0.509 291 HG23 THR 49 HG23 THR 49 3.779 -0.254 0.823 292 H TYR 50 HN TYR 50 2.179 -2.329 -1.143 293 HA TYR 50 HA TYR 50 1.531 -3.914 1.251 294 HB2 TYR 50 HB2 TYR 50 0.439 -4.732 -0.769 295 HB3 TYR 50 HB1 TYR 50 1.982 -4.795 -1.610 296 HD1 TYR 50 HD1 TYR 50 0.821 -6.020 1.734 297 HD2 TYR 50 HD2 TYR 50 2.596 -6.979 -2.016 298 HE1 TYR 50 HE1 TYR 50 1.129 -8.342 2.480 299 HE2 TYR 50 HE2 TYR 50 2.907 -9.304 -1.280 300 HH TYR 50 HH TYR 50 3.055 -10.590 0.736 301 H ASN 51 HN ASN 51 3.205 -4.207 2.545 302 HA ASN 51 HA ASN 51 5.911 -4.070 1.490 303 HB2 ASN 51 HB2 ASN 51 5.326 -2.894 3.602 304 HB3 ASN 51 HB1 ASN 51 4.971 -4.452 4.345 305 HD21 ASN 51 HD21 ASN 51 7.443 -2.320 3.183 306 HD22 ASN 51 HD22 ASN 51 8.782 -3.173 3.886 307 H VAL 52 HN VAL 52 6.749 -5.863 0.652 308 HA VAL 52 HA VAL 52 5.696 -8.465 1.278 309 HB VAL 52 HB VAL 52 7.479 -9.302 -0.268 310 HG11 VAL 52 HG11 VAL 52 5.594 -7.153 -1.219 311 HG12 VAL 52 HG12 VAL 52 5.297 -8.889 -1.136 312 HG13 VAL 52 HG13 VAL 52 6.461 -8.248 -2.298 313 HG21 VAL 52 HG21 VAL 52 9.123 -7.523 0.103 314 HG22 VAL 52 HG22 VAL 52 8.040 -6.362 -0.662 315 HG23 VAL 52 HG23 VAL 52 8.724 -7.686 -1.607 316 H LYS 53 HN LYS 53 7.832 -6.607 2.964 317 HA LYS 53 HA LYS 53 9.660 -8.754 3.659 318 HB2 LYS 53 HB2 LYS 53 9.529 -5.857 4.103 319 HB3 LYS 53 HB1 LYS 53 10.116 -6.762 5.494 320 HG2 LYS 53 HG2 LYS 53 11.252 -7.084 2.728 321 HG3 LYS 53 HG1 LYS 53 11.867 -5.922 3.904 322 HD2 LYS 53 HD2 LYS 53 12.185 -7.840 5.490 323 HD3 LYS 53 HD1 LYS 53 11.791 -8.924 4.153 324 HE2 LYS 53 HE2 LYS 53 14.183 -8.752 4.341 325 HE3 LYS 53 HE1 LYS 53 13.664 -7.941 2.866 326 HZ1 LYS 53 HZ1 LYS 53 15.311 -6.636 4.036 327 HZ2 LYS 53 HZ2 LYS 53 14.355 -6.606 5.426 328 HZ3 LYS 53 HZ3 LYS 53 13.832 -5.817 4.028 329 H SER 54 HN SER 54 7.277 -6.736 5.347 330 HA SER 54 HA SER 54 7.206 -8.603 7.570 331 HB2 SER 54 HB2 SER 54 5.368 -6.251 7.337 332 HB3 SER 54 HB1 SER 54 6.147 -6.925 8.768 333 HG SER 54 HG SER 54 7.186 -5.027 8.270 334 H GLY 55 HN GLY 55 5.422 -7.879 4.701 335 HA2 GLY 55 HA2 GLY 55 3.749 -9.150 3.717 336 HA3 GLY 55 HA1 GLY 55 3.653 -10.117 5.182 337 H LEU 56 HN LEU 56 3.496 -6.667 5.363 338 HA LEU 56 HA LEU 56 0.704 -6.909 6.215 339 HB2 LEU 56 HB2 LEU 56 2.724 -4.748 6.792 340 HB3 LEU 56 HB1 LEU 56 1.068 -4.760 7.367 341 HG LEU 56 HG LEU 56 3.167 -6.808 8.097 342 HD11 LEU 56 HD11 LEU 56 2.016 -4.530 9.700 343 HD12 LEU 56 HD12 LEU 56 3.653 -4.613 9.048 344 HD13 LEU 56 HD13 LEU 56 3.141 -5.753 10.292 345 HD21 LEU 56 HD21 LEU 56 0.975 -7.785 8.163 346 HD22 LEU 56 HD22 LEU 56 0.333 -6.393 9.034 347 HD23 LEU 56 HD23 LEU 56 1.499 -7.462 9.816 348 H CYS 57 HN CYS 57 -0.877 -5.650 5.403 349 HA CYS 57 HA CYS 57 -0.272 -4.256 2.894 350 HB2 CYS 57 HB2 CYS 57 -1.941 -5.970 2.647 351 HB3 CYS 57 HB1 CYS 57 -2.827 -5.385 4.049 352 H TYR 58 HN TYR 58 -0.508 -2.084 2.738 353 HA TYR 58 HA TYR 58 -1.761 -0.715 5.027 354 HB2 TYR 58 HB2 TYR 58 0.506 0.332 3.334 355 HB3 TYR 58 HB1 TYR 58 -0.185 1.099 4.756 356 HD1 TYR 58 HD1 TYR 58 0.327 0.271 6.990 357 HD2 TYR 58 HD2 TYR 58 2.047 -1.529 3.535 358 HE1 TYR 58 HE1 TYR 58 2.003 -0.842 8.404 359 HE2 TYR 58 HE2 TYR 58 3.718 -2.651 4.948 360 HH TYR 58 HH TYR 58 4.734 -2.477 7.086 361 HA PRO 59 HA PRO 59 -4.175 0.707 1.390 362 HB2 PRO 59 HB2 PRO 59 -6.378 0.884 3.298 363 HB3 PRO 59 HB1 PRO 59 -6.265 -0.108 1.841 364 HG2 PRO 59 HG2 PRO 59 -6.259 -1.177 4.326 365 HG3 PRO 59 HG1 PRO 59 -5.411 -1.915 2.950 366 HD2 PRO 59 HD2 PRO 59 -4.300 -0.264 5.184 367 HD3 PRO 59 HD1 PRO 59 -3.630 -1.718 4.410 368 H LYS 60 HN LYS 60 -3.355 2.768 1.219 369 HA LYS 60 HA LYS 60 -3.907 4.600 3.446 370 HB2 LYS 60 HB2 LYS 60 -1.748 4.653 1.344 371 HB3 LYS 60 HB1 LYS 60 -2.041 5.970 2.472 372 HG2 LYS 60 HG2 LYS 60 -1.516 4.582 4.344 373 HG3 LYS 60 HG1 LYS 60 -1.439 3.146 3.325 374 HD2 LYS 60 HD2 LYS 60 0.491 4.089 2.155 375 HD3 LYS 60 HD1 LYS 60 0.408 5.521 3.182 376 HE2 LYS 60 HE2 LYS 60 0.855 2.707 4.155 377 HE3 LYS 60 HE1 LYS 60 2.118 3.914 3.934 378 HZ1 LYS 60 HZ1 LYS 60 0.807 5.316 5.560 379 HZ2 LYS 60 HZ2 LYS 60 1.587 3.954 6.200 380 HZ3 LYS 60 HZ3 LYS 60 -0.085 3.918 5.922 381 H ARG 61 HN ARG 61 -4.435 6.766 3.016 382 HA ARG 61 HA ARG 61 -5.876 7.150 0.479 383 HB2 ARG 61 HB2 ARG 61 -7.530 8.458 1.741 384 HB3 ARG 61 HB1 ARG 61 -7.438 6.803 2.318 385 HG2 ARG 61 HG2 ARG 61 -6.216 7.465 4.255 386 HG3 ARG 61 HG1 ARG 61 -6.024 9.107 3.637 387 HD2 ARG 61 HD2 ARG 61 -8.479 9.387 3.722 388 HD3 ARG 61 HD1 ARG 61 -8.616 7.775 4.421 389 HE ARG 61 HE ARG 61 -6.917 8.990 6.120 390 HH11 ARG 61 HH11 ARG 61 -10.052 9.951 4.785 391 HH12 ARG 61 HH12 ARG 61 -10.493 10.909 6.254 392 HH21 ARG 61 HH21 ARG 61 -7.448 10.211 7.968 393 HH22 ARG 61 HH22 ARG 61 -9.047 11.045 8.032 394 H GLY 62 HN GLY 62 -6.575 9.785 0.806 395 HA2 GLY 62 HA2 GLY 62 -5.808 11.937 0.628 396 HA3 GLY 62 HA1 GLY 62 -4.474 11.474 1.674 397 H LYS 63 HN LYS 63 -2.830 12.449 0.610 398 HA LYS 63 HA LYS 63 -2.503 11.977 -2.244 399 HB2 LYS 63 HB2 LYS 63 -0.864 13.680 -2.232 400 HB3 LYS 63 HB1 LYS 63 -2.120 14.243 -1.143 401 HG2 LYS 63 HG2 LYS 63 -0.680 13.289 0.735 402 HG3 LYS 63 HG1 LYS 63 0.604 13.186 -0.469 403 HD2 LYS 63 HD2 LYS 63 -0.888 15.684 0.338 404 HD3 LYS 63 HD1 LYS 63 0.758 15.262 0.811 405 HE2 LYS 63 HE2 LYS 63 -0.118 15.601 -2.055 406 HE3 LYS 63 HE1 LYS 63 0.563 16.905 -1.083 407 HZ1 LYS 63 HZ1 LYS 63 2.280 15.907 -2.393 408 HZ2 LYS 63 HZ2 LYS 63 1.908 14.362 -1.821 409 HZ3 LYS 63 HZ3 LYS 63 2.553 15.518 -0.774 410 HA PRO 64 HA PRO 64 0.373 8.711 -1.477 411 HB2 PRO 64 HB2 PRO 64 1.276 8.341 -3.980 412 HB3 PRO 64 HB1 PRO 64 -0.378 7.930 -3.508 413 HG2 PRO 64 HG2 PRO 64 0.604 10.245 -5.075 414 HG3 PRO 64 HG1 PRO 64 -0.928 9.361 -5.200 415 HD2 PRO 64 HD2 PRO 64 -0.541 11.814 -3.910 416 HD3 PRO 64 HD1 PRO 64 -1.951 10.752 -3.750 417 H GLN 65 HN GLN 65 2.035 9.450 -0.234 418 HA GLN 65 HA GLN 65 4.124 11.097 -1.410 419 HB2 GLN 65 HB2 GLN 65 4.045 9.933 1.379 420 HB3 GLN 65 HB1 GLN 65 5.009 11.291 0.809 421 HG2 GLN 65 HG2 GLN 65 2.876 12.526 0.399 422 HG3 GLN 65 HG1 GLN 65 2.025 11.201 1.190 423 HE21 GLN 65 HE21 GLN 65 1.271 12.409 2.898 424 HE22 GLN 65 HE22 GLN 65 2.306 13.055 4.124 425 H PHE 66 HN PHE 66 4.969 9.670 -2.927 426 HA PHE 66 HA PHE 66 5.775 7.014 -2.308 427 HB2 PHE 66 HB2 PHE 66 6.694 8.736 -4.616 428 HB3 PHE 66 HB1 PHE 66 6.763 6.984 -4.515 429 HD1 PHE 66 HD1 PHE 66 4.417 5.826 -4.126 430 HD2 PHE 66 HD2 PHE 66 4.993 9.700 -5.789 431 HE1 PHE 66 HE1 PHE 66 2.230 5.670 -5.241 432 HE2 PHE 66 HE2 PHE 66 2.807 9.553 -6.904 433 HZ PHE 66 HZ PHE 66 1.423 7.533 -6.633 434 H TYR 67 HN TYR 67 7.704 6.182 -1.772 435 HA TYR 67 HA TYR 67 10.091 7.834 -1.824 436 HB2 TYR 67 HB2 TYR 67 10.672 7.626 0.457 437 HB3 TYR 67 HB1 TYR 67 8.991 8.127 0.459 438 HD1 TYR 67 HD2 TYR 67 7.212 6.445 1.023 439 HD2 TYR 67 HD1 TYR 67 11.355 5.583 1.442 440 HE1 TYR 67 HE2 TYR 67 6.665 4.573 2.522 441 HE2 TYR 67 HE1 TYR 67 10.819 3.716 2.945 442 HH TYR 67 HH TYR 67 7.993 2.262 3.168 443 H LYS 68 HN LYS 68 11.957 6.652 -2.086 444 HA LYS 68 HA LYS 68 11.610 4.046 -3.178 445 HB2 LYS 68 HB2 LYS 68 13.278 5.746 -3.960 446 HB3 LYS 68 HB1 LYS 68 14.198 5.437 -2.495 447 HG2 LYS 68 HG2 LYS 68 14.749 3.262 -3.166 448 HG3 LYS 68 HG1 LYS 68 13.500 3.244 -4.414 449 HD2 LYS 68 HD2 LYS 68 14.717 4.957 -5.663 450 HD3 LYS 68 HD1 LYS 68 15.966 4.983 -4.415 451 HE2 LYS 68 HE2 LYS 68 16.653 2.784 -4.924 452 HE3 LYS 68 HE1 LYS 68 15.217 2.485 -5.901 453 HZ1 LYS 68 HZ1 LYS 68 17.271 4.500 -6.604 454 HZ2 LYS 68 HZ2 LYS 68 16.007 3.941 -7.574 455 HZ3 LYS 68 HZ3 LYS 68 17.289 2.912 -7.183 456 H TYR 69 HN TYR 69 11.606 2.169 -2.179 457 HA TYR 69 HA TYR 69 13.379 1.607 0.009 458 HB2 TYR 69 HB2 TYR 69 11.551 2.727 1.213 459 HB3 TYR 69 HB1 TYR 69 10.394 1.599 0.512 460 HD1 TYR 69 HD1 TYR 69 13.682 1.318 2.292 461 HD2 TYR 69 HD2 TYR 69 9.643 0.015 1.991 462 HE1 TYR 69 HE1 TYR 69 14.044 -0.224 4.169 463 HE2 TYR 69 HE2 TYR 69 9.996 -1.530 3.868 464 HH TYR 69 HH TYR 69 12.902 -1.461 5.779 465 H LEU 70 HN LEU 70 14.077 -0.380 -0.341 466 HA LEU 70 HA LEU 70 12.771 -2.152 -2.149 467 HB2 LEU 70 HB2 LEU 70 15.106 -2.560 -0.282 468 HB3 LEU 70 HB1 LEU 70 14.548 -3.772 -1.416 469 HG LEU 70 HG LEU 70 15.500 -1.035 -2.260 470 HD11 LEU 70 HD11 LEU 70 17.599 -2.123 -2.878 471 HD12 LEU 70 HD12 LEU 70 17.030 -3.632 -2.164 472 HD13 LEU 70 HD13 LEU 70 17.312 -2.222 -1.143 473 HD21 LEU 70 HD21 LEU 70 15.705 -2.099 -4.454 474 HD22 LEU 70 HD22 LEU 70 14.047 -2.170 -3.859 475 HD23 LEU 70 HD23 LEU 70 15.072 -3.604 -3.789 476 H GLY 71 HN GLY 71 10.941 -3.125 -1.607 477 HA2 GLY 71 HA2 GLY 71 10.284 -5.157 -0.229 478 HA3 GLY 71 HA1 GLY 71 10.647 -4.128 1.149 479 H ASP 72 HN ASP 72 9.553 -1.785 -0.408 480 HA ASP 72 HA ASP 72 6.769 -2.243 0.338 481 HB2 ASP 72 HB2 ASP 72 8.513 0.148 0.065 482 HB3 ASP 72 HB1 ASP 72 6.809 0.366 -0.315 483 H MET 73 HN MET 73 5.318 -2.728 -1.128 484 HA MET 73 HA MET 73 5.854 -2.031 -3.937 485 HB2 MET 73 HB2 MET 73 4.286 -4.295 -2.703 486 HB3 MET 73 HB1 MET 73 4.147 -3.868 -4.402 487 HG2 MET 73 HG2 MET 73 6.528 -4.305 -4.709 488 HG3 MET 73 HG1 MET 73 6.668 -4.721 -3.003 489 HE1 MET 73 HE1 MET 73 4.887 -5.627 -6.377 490 HE2 MET 73 HE2 MET 73 3.541 -5.667 -5.240 491 HE3 MET 73 HE3 MET 73 4.110 -7.161 -5.983 492 H THR 74 HN THR 74 4.896 -0.031 -4.062 493 HA THR 74 HA THR 74 2.189 0.328 -3.101 494 HB THR 74 HB THR 74 4.015 2.226 -4.587 495 HG1 THR 74 HG1 THR 74 4.771 1.978 -2.533 496 HG21 THR 74 HG21 THR 74 2.410 3.975 -3.966 497 HG22 THR 74 HG22 THR 74 1.342 2.751 -3.282 498 HG23 THR 74 HG23 THR 74 1.665 2.769 -5.016 499 H GLY 75 HN GLY 75 0.399 0.252 -4.286 500 HA2 GLY 75 HA2 GLY 75 0.658 0.051 -7.216 501 HA3 GLY 75 HA1 GLY 75 -0.421 -1.000 -6.301 502 H SER 76 HN SER 76 -1.247 0.773 -8.394 503 HA SER 76 HA SER 76 -2.332 3.139 -7.238 504 HB2 SER 76 HB2 SER 76 -3.735 3.102 -9.414 505 HB3 SER 76 HB1 SER 76 -1.987 3.278 -9.552 506 HG SER 76 HG SER 76 -3.396 1.532 -10.785 507 H ARG 77 HN ARG 77 -4.344 0.722 -8.856 508 HA ARG 77 HA ARG 77 -5.779 -0.053 -6.531 509 HB2 ARG 77 HB2 ARG 77 -6.522 2.408 -7.132 510 HB3 ARG 77 HB1 ARG 77 -7.493 1.593 -8.349 511 HG2 ARG 77 HG2 ARG 77 -8.797 0.507 -6.769 512 HG3 ARG 77 HG1 ARG 77 -7.598 0.712 -5.492 513 HD2 ARG 77 HD2 ARG 77 -9.478 2.189 -5.111 514 HD3 ARG 77 HD1 ARG 77 -8.035 3.131 -5.493 515 HE ARG 77 HE ARG 77 -9.787 2.529 -7.728 516 HH11 ARG 77 HH11 ARG 77 -8.898 4.810 -5.194 517 HH12 ARG 77 HH12 ARG 77 -9.594 6.222 -6.074 518 HH21 ARG 77 HH21 ARG 77 -10.702 4.283 -8.857 519 HH22 ARG 77 HH22 ARG 77 -10.627 5.925 -8.114 520 H THR 78 HN THR 78 -5.619 0.267 -10.018 521 HA THR 78 HA THR 78 -6.302 -2.504 -10.329 522 HB THR 78 HB THR 78 -8.533 -1.276 -10.189 523 HG1 THR 78 HG1 THR 78 -8.594 -2.407 -12.690 524 HG21 THR 78 HG21 THR 78 -7.622 -0.267 -12.882 525 HG22 THR 78 HG22 THR 78 -7.999 0.708 -11.463 526 HG23 THR 78 HG23 THR 78 -9.278 -0.185 -12.284 527 H CYS 79 HN CYS 79 -6.110 -3.174 -12.636 528 HA CYS 79 HA CYS 79 -4.456 -1.328 -14.212 529 HB2 CYS 79 HB2 CYS 79 -3.870 -4.226 -13.582 530 HB3 CYS 79 HB1 CYS 79 -3.070 -3.341 -14.875 531 H1 GAL 83 H1 GTP 1 6.225 2.194 8.672 532 H2 GAL 83 H2 GTP 1 5.185 4.327 6.752 533 H3 GAL 83 H3 GTP 1 3.845 2.128 8.353 534 H4 GAL 83 H4 GTP 1 3.310 1.268 6.116 535 H5 GAL 83 H5 GTP 1 5.326 0.532 7.283 536 H61 GAL 83 H61 GTP 1 5.342 0.797 4.304 537 H62 GAL 83 H62 GTP 1 5.366 -0.641 5.325 538 HO2 GAL 83 HO2 GTP 1 5.757 4.620 9.258 539 HO3 GAL 83 HO3 GTP 1 2.753 4.244 8.045 540 HO4 GAL 83 HO4 GTP 1 5.157 2.839 4.808 541 HO6 GAL 83 HO6 GTP 1 7.350 0.336 4.015 542 H1 NAG 84 H1 GCP 2 9.949 2.896 4.864 543 H2 NAG 84 H2 GCP 2 10.123 3.222 7.919 544 H3 NAG 84 H3 GCP 2 7.882 3.616 5.901 545 H4 NAG 84 H4 GCP 2 9.468 5.483 7.710 546 H5 NAG 84 H5 GCP 2 9.272 5.142 4.677 547 H61 NAG 84 H61 GCP 2 9.927 7.455 6.149 548 H62 NAG 84 H62 GCP 2 10.166 7.142 4.427 549 H81 NAG 84 HC23 GCP 2 8.088 -0.722 8.669 550 H82 NAG 84 HC21 GCP 2 8.620 -0.868 6.994 551 H83 NAG 84 HC22 GCP 2 9.697 -1.344 8.307 552 HN2 NAG 84 HN2 GCP 2 8.579 1.210 6.331 553 HO1 NAG 84 HO1 GCP 2 11.448 1.532 6.433 554 HO4 NAG 84 HO4 GCP 2 7.398 6.236 7.523 555 HO6 NAG 84 HO6 GCP 2 12.165 5.940 5.579 Start of MODEL 7 1 H CYS 10 HT1 CYS 10 -0.534 -4.917 -14.114 2 HA CYS 10 HA CYS 10 -1.272 -3.153 -12.723 3 HB2 CYS 10 HB2 CYS 10 -2.811 -5.363 -11.381 4 HB3 CYS 10 HB1 CYS 10 -2.458 -3.852 -10.551 5 H VAL 11 HN VAL 11 1.011 -4.918 -13.038 6 HA VAL 11 HA VAL 11 1.945 -5.382 -10.321 7 HB VAL 11 HB VAL 11 3.462 -5.815 -12.902 8 HG11 VAL 11 HG11 VAL 11 3.889 -6.941 -10.133 9 HG12 VAL 11 HG12 VAL 11 4.844 -5.662 -10.882 10 HG13 VAL 11 HG13 VAL 11 4.861 -7.288 -11.565 11 HG21 VAL 11 HG21 VAL 11 1.394 -7.134 -12.874 12 HG22 VAL 11 HG22 VAL 11 1.859 -7.816 -11.315 13 HG23 VAL 11 HG23 VAL 11 2.826 -8.155 -12.750 14 H HIS 12 HN HIS 12 2.137 -3.306 -9.507 15 HA HIS 12 HA HIS 12 3.575 -1.252 -10.896 16 HB2 HIS 12 HB2 HIS 12 2.142 -1.506 -8.339 17 HB3 HIS 12 HB1 HIS 12 3.511 -0.402 -8.300 18 HD1 HIS 12 HD1 HIS 12 3.023 1.910 -9.036 19 HD2 HIS 12 HD2 HIS 12 0.267 -0.808 -10.550 20 HE1 HIS 12 HE1 HIS 12 1.301 3.293 -10.239 21 HE2 HIS 12 HE2 HIS 12 -0.274 1.618 -11.267 22 H THR 13 HN THR 13 4.294 -2.581 -7.672 23 HA THR 13 HA THR 13 6.242 -3.027 -6.604 24 HB THR 13 HB THR 13 7.619 -3.513 -9.227 25 HG1 THR 13 HG1 THR 13 6.257 -5.053 -9.735 26 HG21 THR 13 HG21 THR 13 8.620 -5.368 -8.017 27 HG22 THR 13 HG22 THR 13 7.583 -5.054 -6.627 28 HG23 THR 13 HG23 THR 13 8.817 -3.881 -7.090 29 H GLY 14 HN GLY 14 8.816 -2.458 -8.492 30 HA2 GLY 14 HA2 GLY 14 10.148 -0.624 -8.979 31 HA3 GLY 14 HA1 GLY 14 8.823 0.426 -8.503 32 H ASN 15 HN ASN 15 9.019 -1.571 -6.004 33 HA ASN 15 HA ASN 15 9.735 -1.396 -3.859 34 HB2 ASN 15 HB2 ASN 15 12.272 -0.680 -5.333 35 HB3 ASN 15 HB1 ASN 15 12.210 -0.807 -3.579 36 HD21 ASN 15 HD21 ASN 15 10.306 -3.001 -3.590 37 HD22 ASN 15 HD22 ASN 15 11.187 -4.399 -4.095 38 H ILE 16 HN ILE 16 8.160 0.584 -4.412 39 HA ILE 16 HA ILE 16 9.426 2.926 -3.193 40 HB ILE 16 HB ILE 16 9.056 3.329 -5.613 41 HG12 ILE 16 HG12 ILE 16 7.262 5.318 -5.027 42 HG13 ILE 16 HG11 ILE 16 7.911 4.924 -3.438 43 HG21 ILE 16 HG21 ILE 16 6.776 3.593 -6.475 44 HG22 ILE 16 HG22 ILE 16 6.140 2.966 -4.954 45 HG23 ILE 16 HG23 ILE 16 7.121 1.932 -5.993 46 HD11 ILE 16 HD11 ILE 16 9.171 6.720 -4.465 47 HD12 ILE 16 HD12 ILE 16 9.520 5.700 -5.862 48 HD13 ILE 16 HD13 ILE 16 10.176 5.283 -4.279 49 H GLY 17 HN GLY 17 8.379 3.723 -1.482 50 HA2 GLY 17 HA2 GLY 17 5.773 2.519 -0.802 51 HA3 GLY 17 HA1 GLY 17 6.946 3.112 0.367 52 H SER 18 HN SER 18 4.927 4.242 1.126 53 HA SER 18 HA SER 18 4.966 6.938 0.066 54 HB2 SER 18 HB2 SER 18 2.446 5.269 0.121 55 HB3 SER 18 HB1 SER 18 2.454 7.024 -0.049 56 HG SER 18 HG SER 18 4.162 5.839 -1.793 57 H LYS 19 HN LYS 19 5.007 8.319 1.690 58 HA LYS 19 HA LYS 19 4.395 7.413 4.380 59 HB2 LYS 19 HB2 LYS 19 6.234 9.208 3.311 60 HB3 LYS 19 HB1 LYS 19 5.052 10.241 4.101 61 HG2 LYS 19 HG2 LYS 19 6.511 7.955 5.416 62 HG3 LYS 19 HG1 LYS 19 6.942 9.658 5.563 63 HD2 LYS 19 HD2 LYS 19 4.197 8.687 6.286 64 HD3 LYS 19 HD1 LYS 19 5.532 8.566 7.430 65 HE2 LYS 19 HE2 LYS 19 5.895 10.999 7.216 66 HE3 LYS 19 HE1 LYS 19 4.508 11.089 6.131 67 HZ1 LYS 19 HZ1 LYS 19 3.961 11.695 8.431 68 HZ2 LYS 19 HZ2 LYS 19 4.391 10.144 8.943 69 HZ3 LYS 19 HZ3 LYS 19 3.077 10.354 7.902 70 H ALA 20 HN ALA 20 2.085 7.160 3.636 71 HA ALA 20 HA ALA 20 0.634 9.688 4.061 72 HB1 ALA 20 HB1 ALA 20 -1.093 8.962 2.559 73 HB2 ALA 20 HB2 ALA 20 -0.315 7.393 2.351 74 HB3 ALA 20 HB3 ALA 20 0.456 8.849 1.720 75 H GLN 21 HN GLN 21 -1.568 9.347 4.964 76 HA GLN 21 HA GLN 21 -1.402 7.554 7.201 77 HB2 GLN 21 HB2 GLN 21 -2.354 9.798 7.461 78 HB3 GLN 21 HB1 GLN 21 -3.635 9.392 6.327 79 HG2 GLN 21 HG2 GLN 21 -4.252 7.525 7.939 80 HG3 GLN 21 HG1 GLN 21 -3.190 8.328 9.094 81 HE21 GLN 21 HE21 GLN 21 -4.877 8.801 10.487 82 HE22 GLN 21 HE22 GLN 21 -6.053 10.019 10.139 83 H THR 22 HN THR 22 -2.384 5.680 7.497 84 HA THR 22 HA THR 22 -3.627 4.355 5.290 85 HB THR 22 HB THR 22 -3.859 3.039 7.885 86 HG1 THR 22 HG1 THR 22 -1.893 3.342 8.606 87 HG21 THR 22 HG21 THR 22 -3.972 1.890 5.715 88 HG22 THR 22 HG22 THR 22 -2.670 1.256 6.722 89 HG23 THR 22 HG23 THR 22 -2.301 2.352 5.391 90 H ILE 23 HN ILE 23 -5.781 3.691 5.134 91 HA ILE 23 HA ILE 23 -7.709 5.358 6.446 92 HB ILE 23 HB ILE 23 -8.297 2.872 4.834 93 HG12 ILE 23 HG12 ILE 23 -8.186 5.653 3.698 94 HG13 ILE 23 HG11 ILE 23 -6.749 4.638 3.741 95 HG21 ILE 23 HG21 ILE 23 -10.391 4.090 4.303 96 HG22 ILE 23 HG22 ILE 23 -9.898 5.358 5.426 97 HG23 ILE 23 HG23 ILE 23 -10.211 3.728 6.022 98 HD11 ILE 23 HD11 ILE 23 -7.879 2.966 2.389 99 HD12 ILE 23 HD12 ILE 23 -7.876 4.536 1.586 100 HD13 ILE 23 HD13 ILE 23 -9.340 3.952 2.376 101 H GLY 24 HN GLY 24 -6.580 2.072 6.767 102 HA2 GLY 24 HA2 GLY 24 -8.162 1.823 9.238 103 HA3 GLY 24 HA1 GLY 24 -8.016 0.486 8.104 104 H GLU 25 HN GLU 25 -7.092 -0.803 9.745 105 HA GLU 25 HA GLU 25 -4.524 0.029 10.829 106 HB2 GLU 25 HB2 GLU 25 -6.115 -2.504 11.254 107 HB3 GLU 25 HB1 GLU 25 -4.649 -2.064 12.119 108 HG2 GLU 25 HG2 GLU 25 -5.756 -0.153 13.092 109 HG3 GLU 25 HG1 GLU 25 -7.215 -0.503 12.170 110 H VAL 26 HN VAL 26 -2.701 -1.518 10.748 111 HA VAL 26 HA VAL 26 -2.219 -2.293 8.025 112 HB VAL 26 HB VAL 26 -0.463 -2.896 10.409 113 HG11 VAL 26 HG11 VAL 26 0.151 -4.092 8.398 114 HG12 VAL 26 HG12 VAL 26 1.334 -2.823 8.713 115 HG13 VAL 26 HG13 VAL 26 0.113 -2.597 7.462 116 HG21 VAL 26 HG21 VAL 26 -0.431 -0.425 8.677 117 HG22 VAL 26 HG22 VAL 26 0.678 -0.798 9.997 118 HG23 VAL 26 HG23 VAL 26 -1.026 -0.494 10.334 119 H LYS 27 HN LYS 27 -3.310 -4.037 7.350 120 HA LYS 27 HA LYS 27 -3.496 -6.371 9.108 121 HB2 LYS 27 HB2 LYS 27 -4.897 -5.791 6.489 122 HB3 LYS 27 HB1 LYS 27 -5.184 -7.188 7.517 123 HG2 LYS 27 HG2 LYS 27 -5.969 -5.709 9.303 124 HG3 LYS 27 HG1 LYS 27 -5.696 -4.314 8.256 125 HD2 LYS 27 HD2 LYS 27 -7.286 -5.354 6.618 126 HD3 LYS 27 HD1 LYS 27 -7.656 -6.566 7.844 127 HE2 LYS 27 HE2 LYS 27 -7.971 -3.596 8.249 128 HE3 LYS 27 HE1 LYS 27 -9.275 -4.669 7.750 129 HZ1 LYS 27 HZ1 LYS 27 -9.390 -4.326 10.099 130 HZ2 LYS 27 HZ2 LYS 27 -7.776 -4.780 10.309 131 HZ3 LYS 27 HZ3 LYS 27 -8.916 -5.927 9.824 132 H ARG 28 HN ARG 28 -3.293 -8.515 8.015 133 HA ARG 28 HA ARG 28 -0.806 -8.532 6.488 134 HB2 ARG 28 HB2 ARG 28 -2.332 -10.697 7.938 135 HB3 ARG 28 HB1 ARG 28 -0.904 -11.012 6.963 136 HG2 ARG 28 HG2 ARG 28 -0.874 -9.059 9.241 137 HG3 ARG 28 HG1 ARG 28 -0.572 -10.781 9.473 138 HD2 ARG 28 HD2 ARG 28 1.322 -10.701 7.993 139 HD3 ARG 28 HD1 ARG 28 0.966 -9.029 7.559 140 HE ARG 28 HE ARG 28 1.324 -9.162 10.333 141 HH11 ARG 28 HH11 ARG 28 3.173 -9.610 7.374 142 HH12 ARG 28 HH12 ARG 28 4.718 -9.042 8.115 143 HH21 ARG 28 HH21 ARG 28 3.257 -8.460 11.315 144 HH22 ARG 28 HH22 ARG 28 4.766 -8.410 10.322 145 H ALA 29 HN ALA 29 -0.714 -9.019 4.396 146 HA ALA 29 HA ALA 29 -3.118 -10.185 3.145 147 HB1 ALA 29 HB1 ALA 29 -3.038 -7.894 2.482 148 HB2 ALA 29 HB2 ALA 29 -2.506 -8.860 1.105 149 HB3 ALA 29 HB3 ALA 29 -1.323 -8.006 2.094 150 H SER 30 HN SER 30 -2.803 -11.954 1.971 151 HA SER 30 HA SER 30 -0.409 -13.373 2.003 152 HB2 SER 30 HB2 SER 30 -2.345 -13.954 -0.163 153 HB3 SER 30 HB1 SER 30 -1.642 -15.032 1.047 154 HG SER 30 HG SER 30 -3.777 -14.776 1.582 155 H SER 31 HN SER 31 -1.837 -11.390 -0.576 156 HA SER 31 HA SER 31 0.806 -11.198 -1.794 157 HB2 SER 31 HB2 SER 31 -0.560 -13.081 -2.877 158 HB3 SER 31 HB1 SER 31 -1.602 -11.808 -3.509 159 HG SER 31 HG SER 31 0.067 -12.391 -4.977 160 H LEU 32 HN LEU 32 0.471 -9.709 -3.876 161 HA LEU 32 HA LEU 32 -0.168 -7.142 -2.904 162 HB2 LEU 32 HB2 LEU 32 1.464 -7.683 -4.729 163 HB3 LEU 32 HB1 LEU 32 0.105 -8.011 -5.785 164 HG LEU 32 HG LEU 32 -0.632 -5.625 -5.397 165 HD11 LEU 32 HD11 LEU 32 1.105 -4.058 -4.656 166 HD12 LEU 32 HD12 LEU 32 2.136 -5.424 -4.225 167 HD13 LEU 32 HD13 LEU 32 0.612 -5.167 -3.376 168 HD21 LEU 32 HD21 LEU 32 0.448 -6.325 -7.455 169 HD22 LEU 32 HD22 LEU 32 2.036 -6.105 -6.720 170 HD23 LEU 32 HD23 LEU 32 0.987 -4.712 -6.995 171 H SER 33 HN SER 33 -1.892 -9.393 -5.006 172 HA SER 33 HA SER 33 -4.018 -7.767 -5.760 173 HB2 SER 33 HB2 SER 33 -5.091 -10.324 -5.533 174 HB3 SER 33 HB1 SER 33 -4.278 -9.659 -6.951 175 HG SER 33 HG SER 33 -2.499 -10.751 -6.478 176 H GLU 34 HN GLU 34 -3.532 -9.717 -2.862 177 HA GLU 34 HA GLU 34 -6.122 -9.472 -1.792 178 HB2 GLU 34 HB2 GLU 34 -3.441 -10.195 -0.732 179 HB3 GLU 34 HB1 GLU 34 -4.646 -9.694 0.445 180 HG2 GLU 34 HG2 GLU 34 -4.607 -12.102 0.190 181 HG3 GLU 34 HG1 GLU 34 -6.150 -11.429 -0.336 182 H CYS 35 HN CYS 35 -3.249 -7.448 -1.539 183 HA CYS 35 HA CYS 35 -4.301 -5.664 0.397 184 HB2 CYS 35 HB2 CYS 35 -1.838 -5.995 -0.358 185 HB3 CYS 35 HB1 CYS 35 -2.240 -4.858 -1.642 186 H ARG 36 HN ARG 36 -4.243 -5.679 -3.140 187 HA ARG 36 HA ARG 36 -5.385 -3.132 -3.527 188 HB2 ARG 36 HB2 ARG 36 -4.269 -4.572 -5.275 189 HB3 ARG 36 HB1 ARG 36 -5.736 -5.541 -5.317 190 HG2 ARG 36 HG2 ARG 36 -7.008 -3.539 -5.986 191 HG3 ARG 36 HG1 ARG 36 -5.499 -2.621 -6.014 192 HD2 ARG 36 HD2 ARG 36 -6.174 -5.015 -7.725 193 HD3 ARG 36 HD1 ARG 36 -6.104 -3.339 -8.258 194 HE ARG 36 HE ARG 36 -3.704 -3.393 -7.805 195 HH11 ARG 36 HH11 ARG 36 -5.397 -6.476 -8.073 196 HH12 ARG 36 HH12 ARG 36 -3.905 -7.377 -8.528 197 HH21 ARG 36 HH21 ARG 36 -1.803 -4.505 -8.337 198 HH22 ARG 36 HH22 ARG 36 -1.884 -6.280 -8.654 199 H ALA 37 HN ALA 37 -6.802 -6.354 -3.219 200 HA ALA 37 HA ALA 37 -9.492 -5.627 -3.614 201 HB1 ALA 37 HB1 ALA 37 -8.832 -7.927 -3.787 202 HB2 ALA 37 HB2 ALA 37 -9.995 -7.781 -2.465 203 HB3 ALA 37 HB3 ALA 37 -8.273 -7.939 -2.112 204 H ARG 38 HN ARG 38 -7.463 -5.706 -0.739 205 HA ARG 38 HA ARG 38 -9.586 -5.197 1.103 206 HB2 ARG 38 HB2 ARG 38 -6.668 -5.484 1.209 207 HB3 ARG 38 HB1 ARG 38 -7.304 -4.318 2.361 208 HG2 ARG 38 HG2 ARG 38 -7.104 -6.542 3.340 209 HG3 ARG 38 HG1 ARG 38 -8.782 -6.004 3.287 210 HD2 ARG 38 HD2 ARG 38 -9.306 -7.443 1.512 211 HD3 ARG 38 HD1 ARG 38 -7.609 -7.716 1.122 212 HE ARG 38 HE ARG 38 -8.306 -8.606 3.754 213 HH11 ARG 38 HH11 ARG 38 -8.378 -9.455 0.340 214 HH12 ARG 38 HH12 ARG 38 -8.326 -11.228 0.664 215 HH21 ARG 38 HH21 ARG 38 -8.270 -10.841 4.206 216 HH22 ARG 38 HH22 ARG 38 -8.265 -12.007 2.826 217 H CYS 39 HN CYS 39 -7.287 -3.217 -0.667 218 HA CYS 39 HA CYS 39 -7.932 -0.786 0.662 219 HB2 CYS 39 HB2 CYS 39 -5.829 -1.338 -0.723 220 HB3 CYS 39 HB1 CYS 39 -6.815 -0.947 -2.130 221 H GLN 40 HN GLN 40 -9.030 -2.303 -2.361 222 HA GLN 40 HA GLN 40 -10.576 -0.183 -3.322 223 HB2 GLN 40 HB2 GLN 40 -11.420 -1.654 -4.886 224 HB3 GLN 40 HB1 GLN 40 -9.929 -2.459 -4.421 225 HG2 GLN 40 HG2 GLN 40 -11.212 -3.900 -2.895 226 HG3 GLN 40 HG1 GLN 40 -12.696 -3.119 -3.437 227 HE21 GLN 40 HE21 GLN 40 -11.956 -5.909 -3.615 228 HE22 GLN 40 HE22 GLN 40 -11.985 -6.314 -5.296 229 H ALA 41 HN ALA 41 -11.156 -2.318 -0.688 230 HA ALA 41 HA ALA 41 -13.948 -2.265 -0.537 231 HB1 ALA 41 HB1 ALA 41 -13.648 -2.770 1.845 232 HB2 ALA 41 HB2 ALA 41 -11.938 -2.361 1.711 233 HB3 ALA 41 HB3 ALA 41 -12.584 -3.748 0.832 234 H GLU 42 HN GLU 42 -11.525 0.082 0.333 235 HA GLU 42 HA GLU 42 -13.533 1.839 1.531 236 HB2 GLU 42 HB2 GLU 42 -10.518 2.032 1.369 237 HB3 GLU 42 HB1 GLU 42 -11.548 3.273 2.074 238 HG2 GLU 42 HG2 GLU 42 -11.314 0.429 3.031 239 HG3 GLU 42 HG1 GLU 42 -10.569 1.839 3.783 240 H LYS 43 HN LYS 43 -13.931 3.915 0.720 241 HA LYS 43 HA LYS 43 -13.622 4.116 -2.149 242 HB2 LYS 43 HB2 LYS 43 -15.738 4.689 -0.837 243 HB3 LYS 43 HB1 LYS 43 -14.907 6.155 -0.334 244 HG2 LYS 43 HG2 LYS 43 -14.986 5.580 -3.238 245 HG3 LYS 43 HG1 LYS 43 -16.501 6.053 -2.465 246 HD2 LYS 43 HD2 LYS 43 -15.599 8.114 -1.744 247 HD3 LYS 43 HD1 LYS 43 -13.950 7.605 -2.115 248 HE2 LYS 43 HE2 LYS 43 -14.508 7.562 -4.499 249 HE3 LYS 43 HE1 LYS 43 -16.149 8.085 -4.125 250 HZ1 LYS 43 HZ1 LYS 43 -14.830 9.953 -4.805 251 HZ2 LYS 43 HZ2 LYS 43 -13.656 9.617 -3.634 252 HZ3 LYS 43 HZ3 LYS 43 -15.201 10.117 -3.163 253 H GLU 44 HN GLU 44 -12.305 5.590 0.727 254 HA GLU 44 HA GLU 44 -11.086 7.816 -0.579 255 HB2 GLU 44 HB2 GLU 44 -10.793 6.537 2.114 256 HB3 GLU 44 HB1 GLU 44 -9.630 7.744 1.590 257 HG2 GLU 44 HG2 GLU 44 -11.573 9.280 1.176 258 HG3 GLU 44 HG1 GLU 44 -12.585 8.088 1.994 259 H CYS 45 HN CYS 45 -10.388 4.542 -0.624 260 HA CYS 45 HA CYS 45 -7.582 4.502 -0.538 261 HB2 CYS 45 HB2 CYS 45 -8.689 2.417 -0.369 262 HB3 CYS 45 HB1 CYS 45 -9.589 2.688 -1.858 263 H SER 46 HN SER 46 -6.165 5.338 -1.832 264 HA SER 46 HA SER 46 -6.812 5.636 -4.680 265 HB2 SER 46 HB2 SER 46 -5.121 7.742 -4.201 266 HB3 SER 46 HB1 SER 46 -6.881 7.868 -4.264 267 HG SER 46 HG SER 46 -6.961 7.710 -2.038 268 H HIS 47 HN HIS 47 -4.494 5.027 -2.168 269 HA HIS 47 HA HIS 47 -2.700 3.757 -4.056 270 HB2 HIS 47 HB2 HIS 47 -0.745 5.031 -2.843 271 HB3 HIS 47 HB1 HIS 47 -1.577 5.789 -4.197 272 HD1 HIS 47 HD1 HIS 47 -2.926 7.894 -3.727 273 HD2 HIS 47 HD2 HIS 47 -1.338 6.171 -0.294 274 HE1 HIS 47 HE1 HIS 47 -3.312 9.567 -1.896 275 HE2 HIS 47 HE2 HIS 47 -2.549 8.410 0.204 276 H TYR 48 HN TYR 48 -2.095 1.876 -3.188 277 HA TYR 48 HA TYR 48 -2.102 1.671 -0.249 278 HB2 TYR 48 HB2 TYR 48 -2.696 -0.674 -0.467 279 HB3 TYR 48 HB1 TYR 48 -3.868 0.313 -1.326 280 HD1 TYR 48 HD2 TYR 48 -3.963 0.273 -3.778 281 HD2 TYR 48 HD1 TYR 48 -1.243 -2.206 -1.645 282 HE1 TYR 48 HE2 TYR 48 -3.617 -1.081 -5.798 283 HE2 TYR 48 HE1 TYR 48 -0.894 -3.566 -3.662 284 HH TYR 48 HH TYR 48 -2.135 -2.601 -6.771 285 H THR 49 HN THR 49 -0.344 0.839 0.757 286 HA THR 49 HA THR 49 1.969 0.230 -0.959 287 HB THR 49 HB THR 49 2.048 0.989 1.966 288 HG1 THR 49 HG1 THR 49 2.361 2.639 -0.345 289 HG21 THR 49 HG21 THR 49 4.018 -0.199 1.128 290 HG22 THR 49 HG22 THR 49 4.399 1.480 1.507 291 HG23 THR 49 HG23 THR 49 4.182 0.982 -0.171 292 H TYR 50 HN TYR 50 2.239 -1.914 -1.181 293 HA TYR 50 HA TYR 50 1.612 -3.621 1.124 294 HB2 TYR 50 HB2 TYR 50 0.444 -4.250 -0.922 295 HB3 TYR 50 HB1 TYR 50 1.973 -4.340 -1.792 296 HD1 TYR 50 HD1 TYR 50 0.437 -5.762 1.308 297 HD2 TYR 50 HD2 TYR 50 2.857 -6.450 -2.123 298 HE1 TYR 50 HE1 TYR 50 0.663 -8.123 1.949 299 HE2 TYR 50 HE2 TYR 50 3.087 -8.816 -1.491 300 HH TYR 50 HH TYR 50 1.227 -10.208 1.114 301 H ASN 51 HN ASN 51 3.289 -4.054 2.356 302 HA ASN 51 HA ASN 51 5.984 -3.964 1.308 303 HB2 ASN 51 HB2 ASN 51 5.354 -3.152 3.624 304 HB3 ASN 51 HB1 ASN 51 5.111 -4.838 4.069 305 HD21 ASN 51 HD21 ASN 51 7.450 -2.420 3.131 306 HD22 ASN 51 HD22 ASN 51 8.847 -3.299 3.678 307 H VAL 52 HN VAL 52 6.301 -5.609 -0.072 308 HA VAL 52 HA VAL 52 5.274 -8.227 0.238 309 HB VAL 52 HB VAL 52 6.001 -7.112 -1.919 310 HG11 VAL 52 HG11 VAL 52 8.727 -8.014 -1.001 311 HG12 VAL 52 HG12 VAL 52 8.196 -6.346 -1.219 312 HG13 VAL 52 HG13 VAL 52 8.327 -7.419 -2.613 313 HG21 VAL 52 HG21 VAL 52 6.946 -9.913 -1.327 314 HG22 VAL 52 HG22 VAL 52 6.756 -9.236 -2.945 315 HG23 VAL 52 HG23 VAL 52 5.349 -9.429 -1.898 316 H LYS 53 HN LYS 53 7.902 -6.692 1.738 317 HA LYS 53 HA LYS 53 9.417 -9.136 2.141 318 HB2 LYS 53 HB2 LYS 53 9.851 -6.247 2.724 319 HB3 LYS 53 HB1 LYS 53 10.719 -7.424 3.700 320 HG2 LYS 53 HG2 LYS 53 10.771 -7.604 0.715 321 HG3 LYS 53 HG1 LYS 53 11.832 -6.482 1.573 322 HD2 LYS 53 HD2 LYS 53 12.963 -8.208 2.670 323 HD3 LYS 53 HD1 LYS 53 11.680 -9.377 2.351 324 HE2 LYS 53 HE2 LYS 53 13.268 -8.128 0.133 325 HE3 LYS 53 HE1 LYS 53 13.844 -9.556 0.988 326 HZ1 LYS 53 HZ1 LYS 53 11.659 -10.601 0.405 327 HZ2 LYS 53 HZ2 LYS 53 12.687 -10.310 -0.903 328 HZ3 LYS 53 HZ3 LYS 53 11.375 -9.286 -0.624 329 H SER 54 HN SER 54 6.649 -8.670 3.246 330 HA SER 54 HA SER 54 7.045 -9.968 5.729 331 HB2 SER 54 HB2 SER 54 7.620 -7.614 6.373 332 HB3 SER 54 HB1 SER 54 5.980 -7.141 5.934 333 HG SER 54 HG SER 54 6.904 -8.434 8.170 334 H GLY 55 HN GLY 55 4.910 -8.137 3.610 335 HA2 GLY 55 HA2 GLY 55 2.900 -9.055 2.740 336 HA3 GLY 55 HA1 GLY 55 2.805 -10.112 4.143 337 H LEU 56 HN LEU 56 3.532 -6.726 4.407 338 HA LEU 56 HA LEU 56 1.143 -6.340 6.023 339 HB2 LEU 56 HB2 LEU 56 3.521 -4.558 5.491 340 HB3 LEU 56 HB1 LEU 56 2.195 -4.153 6.562 341 HG LEU 56 HG LEU 56 3.818 -6.635 7.023 342 HD11 LEU 56 HD11 LEU 56 4.487 -3.855 7.979 343 HD12 LEU 56 HD12 LEU 56 5.427 -4.824 6.845 344 HD13 LEU 56 HD13 LEU 56 5.260 -5.346 8.520 345 HD21 LEU 56 HD21 LEU 56 3.122 -6.283 9.328 346 HD22 LEU 56 HD22 LEU 56 1.720 -6.341 8.258 347 HD23 LEU 56 HD23 LEU 56 2.302 -4.791 8.867 348 H CYS 57 HN CYS 57 -0.625 -5.410 5.264 349 HA CYS 57 HA CYS 57 -0.498 -4.051 2.671 350 HB2 CYS 57 HB2 CYS 57 -2.102 -5.926 2.943 351 HB3 CYS 57 HB1 CYS 57 -2.910 -5.025 4.220 352 H TYR 58 HN TYR 58 -0.600 -1.901 2.588 353 HA TYR 58 HA TYR 58 -1.696 -0.476 4.923 354 HB2 TYR 58 HB2 TYR 58 0.551 0.323 3.074 355 HB3 TYR 58 HB1 TYR 58 -0.182 1.406 4.242 356 HD1 TYR 58 HD2 TYR 58 1.973 -1.540 3.809 357 HD2 TYR 58 HD1 TYR 58 0.337 1.245 6.579 358 HE1 TYR 58 HE2 TYR 58 3.611 -2.263 5.492 359 HE2 TYR 58 HE1 TYR 58 1.977 0.537 8.268 360 HH TYR 58 HH TYR 58 3.375 -1.454 8.765 361 HA PRO 59 HA PRO 59 -4.326 0.831 1.334 362 HB2 PRO 59 HB2 PRO 59 -6.435 0.992 3.362 363 HB3 PRO 59 HB1 PRO 59 -6.401 0.042 1.874 364 HG2 PRO 59 HG2 PRO 59 -6.265 -1.110 4.308 365 HG3 PRO 59 HG1 PRO 59 -5.456 -1.788 2.882 366 HD2 PRO 59 HD2 PRO 59 -4.296 -0.189 5.124 367 HD3 PRO 59 HD1 PRO 59 -3.626 -1.602 4.283 368 H LYS 60 HN LYS 60 -3.362 2.868 1.207 369 HA LYS 60 HA LYS 60 -3.916 4.764 3.361 370 HB2 LYS 60 HB2 LYS 60 -1.850 4.672 1.193 371 HB3 LYS 60 HB1 LYS 60 -2.170 6.149 2.092 372 HG2 LYS 60 HG2 LYS 60 -1.274 5.339 4.020 373 HG3 LYS 60 HG1 LYS 60 -1.677 3.665 3.634 374 HD2 LYS 60 HD2 LYS 60 0.119 3.601 1.987 375 HD3 LYS 60 HD1 LYS 60 0.502 5.294 2.327 376 HE2 LYS 60 HE2 LYS 60 1.169 4.772 4.552 377 HE3 LYS 60 HE1 LYS 60 0.556 3.127 4.417 378 HZ1 LYS 60 HZ1 LYS 60 2.253 2.783 2.638 379 HZ2 LYS 60 HZ2 LYS 60 2.897 3.048 4.186 380 HZ3 LYS 60 HZ3 LYS 60 2.905 4.293 3.040 381 H ARG 61 HN ARG 61 -4.392 6.936 2.899 382 HA ARG 61 HA ARG 61 -5.931 7.389 0.430 383 HB2 ARG 61 HB2 ARG 61 -7.567 8.647 1.820 384 HB3 ARG 61 HB1 ARG 61 -7.499 6.940 2.239 385 HG2 ARG 61 HG2 ARG 61 -6.120 7.434 4.169 386 HG3 ARG 61 HG1 ARG 61 -6.089 9.140 3.731 387 HD2 ARG 61 HD2 ARG 61 -8.617 9.084 3.917 388 HD3 ARG 61 HD1 ARG 61 -8.423 7.506 4.676 389 HE ARG 61 HE ARG 61 -6.741 9.255 6.016 390 HH11 ARG 61 HH11 ARG 61 -10.202 8.877 5.444 391 HH12 ARG 61 HH12 ARG 61 -10.643 9.649 7.021 392 HH21 ARG 61 HH21 ARG 61 -7.273 10.235 8.005 393 HH22 ARG 61 HH22 ARG 61 -9.016 10.395 8.445 394 H GLY 62 HN GLY 62 -6.646 10.005 0.937 395 HA2 GLY 62 HA2 GLY 62 -5.893 12.167 0.952 396 HA3 GLY 62 HA1 GLY 62 -4.558 11.618 1.948 397 H LYS 63 HN LYS 63 -2.802 12.441 1.077 398 HA LYS 63 HA LYS 63 -2.482 12.461 -1.830 399 HB2 LYS 63 HB2 LYS 63 -0.547 13.972 -1.328 400 HB3 LYS 63 HB1 LYS 63 -2.108 14.598 -0.815 401 HG2 LYS 63 HG2 LYS 63 -1.600 13.759 1.480 402 HG3 LYS 63 HG1 LYS 63 0.026 13.374 0.915 403 HD2 LYS 63 HD2 LYS 63 -1.227 16.111 0.803 404 HD3 LYS 63 HD1 LYS 63 -0.130 15.563 2.069 405 HE2 LYS 63 HE2 LYS 63 1.599 15.166 0.364 406 HE3 LYS 63 HE1 LYS 63 0.500 15.775 -0.871 407 HZ1 LYS 63 HZ1 LYS 63 2.033 17.483 -0.179 408 HZ2 LYS 63 HZ2 LYS 63 1.554 17.313 1.434 409 HZ3 LYS 63 HZ3 LYS 63 0.462 17.901 0.287 410 HA PRO 64 HA PRO 64 0.514 9.214 -1.439 411 HB2 PRO 64 HB2 PRO 64 1.295 9.074 -3.997 412 HB3 PRO 64 HB1 PRO 64 -0.337 8.609 -3.501 413 HG2 PRO 64 HG2 PRO 64 0.567 11.046 -4.916 414 HG3 PRO 64 HG1 PRO 64 -0.977 10.180 -5.024 415 HD2 PRO 64 HD2 PRO 64 -0.458 12.516 -3.531 416 HD3 PRO 64 HD1 PRO 64 -1.910 11.500 -3.455 417 H GLN 65 HN GLN 65 2.259 9.853 -0.239 418 HA GLN 65 HA GLN 65 4.279 11.565 -1.513 419 HB2 GLN 65 HB2 GLN 65 4.193 10.639 1.367 420 HB3 GLN 65 HB1 GLN 65 5.221 11.894 0.688 421 HG2 GLN 65 HG2 GLN 65 3.063 13.122 0.124 422 HG3 GLN 65 HG1 GLN 65 2.269 11.970 1.196 423 HE21 GLN 65 HE21 GLN 65 2.822 11.967 3.406 424 HE22 GLN 65 HE22 GLN 65 3.502 13.374 4.150 425 H PHE 66 HN PHE 66 5.139 10.040 -2.902 426 HA PHE 66 HA PHE 66 5.877 7.414 -2.099 427 HB2 PHE 66 HB2 PHE 66 6.564 9.060 -4.529 428 HB3 PHE 66 HB1 PHE 66 7.062 7.385 -4.320 429 HD1 PHE 66 HD1 PHE 66 5.314 5.606 -4.157 430 HD2 PHE 66 HD2 PHE 66 4.389 9.614 -5.246 431 HE1 PHE 66 HE1 PHE 66 3.172 4.851 -5.101 432 HE2 PHE 66 HE2 PHE 66 2.243 8.866 -6.187 433 HZ PHE 66 HZ PHE 66 1.634 6.483 -6.115 434 H TYR 67 HN TYR 67 7.764 6.548 -1.538 435 HA TYR 67 HA TYR 67 10.213 8.115 -1.592 436 HB2 TYR 67 HB2 TYR 67 10.707 7.985 0.697 437 HB3 TYR 67 HB1 TYR 67 9.005 8.414 0.680 438 HD1 TYR 67 HD2 TYR 67 7.298 6.587 1.116 439 HD2 TYR 67 HD1 TYR 67 11.461 6.039 1.771 440 HE1 TYR 67 HE2 TYR 67 6.809 4.674 2.584 441 HE2 TYR 67 HE1 TYR 67 10.986 4.131 3.242 442 HH TYR 67 HH TYR 67 8.193 2.502 3.300 443 H LYS 68 HN LYS 68 12.102 6.769 -1.540 444 HA LYS 68 HA LYS 68 11.583 4.180 -2.688 445 HB2 LYS 68 HB2 LYS 68 14.142 5.661 -2.090 446 HB3 LYS 68 HB1 LYS 68 14.106 4.057 -2.808 447 HG2 LYS 68 HG2 LYS 68 12.377 5.916 -4.203 448 HG3 LYS 68 HG1 LYS 68 14.052 6.464 -4.153 449 HD2 LYS 68 HD2 LYS 68 13.804 5.153 -6.124 450 HD3 LYS 68 HD1 LYS 68 14.713 4.178 -4.972 451 HE2 LYS 68 HE2 LYS 68 12.671 2.969 -4.383 452 HE3 LYS 68 HE1 LYS 68 11.754 3.960 -5.517 453 HZ1 LYS 68 HZ1 LYS 68 12.299 1.844 -6.511 454 HZ2 LYS 68 HZ2 LYS 68 13.950 2.084 -6.214 455 HZ3 LYS 68 HZ3 LYS 68 13.135 3.076 -7.315 456 H TYR 69 HN TYR 69 11.499 2.302 -1.685 457 HA TYR 69 HA TYR 69 13.099 1.772 0.660 458 HB2 TYR 69 HB2 TYR 69 10.936 2.826 1.498 459 HB3 TYR 69 HB1 TYR 69 10.110 1.403 0.875 460 HD1 TYR 69 HD1 TYR 69 13.002 2.276 3.076 461 HD2 TYR 69 HD2 TYR 69 9.741 -0.354 2.338 462 HE1 TYR 69 HE1 TYR 69 13.482 1.099 5.183 463 HE2 TYR 69 HE2 TYR 69 10.211 -1.538 4.442 464 HH TYR 69 HH TYR 69 12.786 -0.453 6.633 465 H LEU 70 HN LEU 70 13.934 -0.162 0.323 466 HA LEU 70 HA LEU 70 12.998 -1.893 -1.720 467 HB2 LEU 70 HB2 LEU 70 14.988 -2.393 0.494 468 HB3 LEU 70 HB1 LEU 70 14.740 -3.440 -0.890 469 HG LEU 70 HG LEU 70 15.756 -0.597 -0.989 470 HD11 LEU 70 HD11 LEU 70 17.405 -2.117 -0.084 471 HD12 LEU 70 HD12 LEU 70 17.854 -1.640 -1.723 472 HD13 LEU 70 HD13 LEU 70 17.150 -3.232 -1.429 473 HD21 LEU 70 HD21 LEU 70 15.289 -2.616 -3.178 474 HD22 LEU 70 HD22 LEU 70 16.187 -1.113 -3.371 475 HD23 LEU 70 HD23 LEU 70 14.474 -1.068 -2.967 476 H GLY 71 HN GLY 71 11.131 -2.912 -1.529 477 HA2 GLY 71 HA2 GLY 71 10.293 -5.052 -0.511 478 HA3 GLY 71 HA1 GLY 71 10.520 -4.241 1.033 479 H ASP 72 HN ASP 72 9.607 -1.667 -0.151 480 HA ASP 72 HA ASP 72 6.788 -2.079 0.340 481 HB2 ASP 72 HB2 ASP 72 8.600 0.272 0.140 482 HB3 ASP 72 HB1 ASP 72 6.905 0.537 -0.250 483 H MET 73 HN MET 73 5.258 -2.266 -1.157 484 HA MET 73 HA MET 73 5.883 -1.454 -3.918 485 HB2 MET 73 HB2 MET 73 4.405 -3.913 -2.967 486 HB3 MET 73 HB1 MET 73 4.401 -3.363 -4.636 487 HG2 MET 73 HG2 MET 73 6.804 -3.658 -4.763 488 HG3 MET 73 HG1 MET 73 6.847 -4.142 -3.070 489 HE1 MET 73 HE1 MET 73 4.572 -6.646 -6.221 490 HE2 MET 73 HE2 MET 73 5.231 -5.050 -6.571 491 HE3 MET 73 HE3 MET 73 3.897 -5.220 -5.432 492 H THR 74 HN THR 74 4.796 0.465 -3.920 493 HA THR 74 HA THR 74 2.054 0.534 -2.955 494 HB THR 74 HB THR 74 3.704 2.797 -4.087 495 HG1 THR 74 HG1 THR 74 4.697 2.105 -2.221 496 HG21 THR 74 HG21 THR 74 1.170 2.791 -2.440 497 HG22 THR 74 HG22 THR 74 1.297 3.224 -4.146 498 HG23 THR 74 HG23 THR 74 2.077 4.227 -2.920 499 H GLY 75 HN GLY 75 0.296 0.611 -4.169 500 HA2 GLY 75 HA2 GLY 75 0.597 0.967 -7.084 501 HA3 GLY 75 HA1 GLY 75 -0.368 -0.348 -6.423 502 H SER 76 HN SER 76 -2.001 0.793 -7.844 503 HA SER 76 HA SER 76 -3.228 3.055 -6.403 504 HB2 SER 76 HB2 SER 76 -4.414 3.472 -8.606 505 HB3 SER 76 HB1 SER 76 -2.672 3.744 -8.626 506 HG SER 76 HG SER 76 -2.780 1.308 -9.304 507 H ARG 77 HN ARG 77 -5.651 3.105 -6.544 508 HA ARG 77 HA ARG 77 -6.749 0.874 -5.326 509 HB2 ARG 77 HB2 ARG 77 -7.657 3.234 -5.335 510 HB3 ARG 77 HB1 ARG 77 -8.347 2.879 -6.913 511 HG2 ARG 77 HG2 ARG 77 -9.586 0.986 -5.871 512 HG3 ARG 77 HG1 ARG 77 -8.992 1.528 -4.302 513 HD2 ARG 77 HD2 ARG 77 -10.039 3.762 -4.797 514 HD3 ARG 77 HD1 ARG 77 -10.797 3.011 -6.200 515 HE ARG 77 HE ARG 77 -11.234 1.907 -3.513 516 HH11 ARG 77 HH11 ARG 77 -12.473 3.446 -6.430 517 HH12 ARG 77 HH12 ARG 77 -14.192 3.106 -6.013 518 HH21 ARG 77 HH21 ARG 77 -13.390 1.444 -2.956 519 HH22 ARG 77 HH22 ARG 77 -14.707 1.967 -4.077 520 H THR 78 HN THR 78 -6.523 1.565 -8.766 521 HA THR 78 HA THR 78 -8.130 -0.843 -9.283 522 HB THR 78 HB THR 78 -8.873 1.387 -10.272 523 HG1 THR 78 HG1 THR 78 -9.142 -0.999 -11.125 524 HG21 THR 78 HG21 THR 78 -7.791 2.119 -12.317 525 HG22 THR 78 HG22 THR 78 -6.588 0.838 -12.167 526 HG23 THR 78 HG23 THR 78 -6.635 2.145 -10.983 527 H CYS 79 HN CYS 79 -5.015 -0.138 -8.898 528 HA CYS 79 HA CYS 79 -4.097 -2.362 -10.417 529 HB2 CYS 79 HB2 CYS 79 -4.110 0.146 -11.772 530 HB3 CYS 79 HB1 CYS 79 -2.436 -0.261 -11.416 531 H1 GAL 83 H1 GTP 1 5.982 2.246 8.554 532 H2 GAL 83 H2 GTP 1 5.535 4.051 6.142 533 H3 GAL 83 H3 GTP 1 3.731 2.057 7.585 534 H4 GAL 83 H4 GTP 1 3.860 0.849 5.447 535 H5 GAL 83 H5 GTP 1 5.445 0.361 7.214 536 H61 GAL 83 H61 GTP 1 5.854 -0.234 4.499 537 H62 GAL 83 H62 GTP 1 6.533 -1.063 5.905 538 HO2 GAL 83 HO2 GTP 1 5.044 4.270 8.853 539 HO3 GAL 83 HO3 GTP 1 2.848 4.073 6.694 540 HO4 GAL 83 HO4 GTP 1 5.930 2.002 4.283 541 HO6 GAL 83 HO6 GTP 1 7.711 0.441 3.980 542 H1 NAG 84 H1 GCP 2 10.477 3.087 5.402 543 H2 NAG 84 H2 GCP 2 10.006 3.659 8.386 544 H3 NAG 84 H3 GCP 2 8.113 3.501 6.011 545 H4 NAG 84 H4 GCP 2 9.033 5.752 7.853 546 H5 NAG 84 H5 GCP 2 9.450 5.190 4.884 547 H61 NAG 84 H61 GCP 2 9.617 7.652 6.410 548 H62 NAG 84 H62 GCP 2 9.832 7.369 4.684 549 H81 NAG 84 HC23 GCP 2 9.803 -0.742 9.607 550 H82 NAG 84 HC21 GCP 2 8.584 -0.521 8.353 551 H83 NAG 84 HC22 GCP 2 10.256 -0.850 7.907 552 HN2 NAG 84 HN2 GCP 2 9.012 1.320 6.821 553 HO1 NAG 84 HO1 GCP 2 11.858 2.517 7.670 554 HO4 NAG 84 HO4 GCP 2 6.913 6.092 7.238 555 HO6 NAG 84 HO6 GCP 2 11.870 6.631 6.510 Start of MODEL 8 1 H CYS 10 HT1 CYS 10 0.332 -0.078 -15.411 2 HA CYS 10 HA CYS 10 -0.850 2.263 -14.041 3 HB2 CYS 10 HB2 CYS 10 -1.903 0.425 -12.636 4 HB3 CYS 10 HB1 CYS 10 -2.513 0.573 -14.279 5 H VAL 11 HN VAL 11 -0.209 2.596 -11.890 6 HA VAL 11 HA VAL 11 2.514 2.017 -11.334 7 HB VAL 11 HB VAL 11 0.366 3.157 -9.536 8 HG11 VAL 11 HG11 VAL 11 2.176 2.227 -8.204 9 HG12 VAL 11 HG12 VAL 11 2.224 3.992 -8.158 10 HG13 VAL 11 HG13 VAL 11 3.362 3.103 -9.172 11 HG21 VAL 11 HG21 VAL 11 2.533 4.511 -11.140 12 HG22 VAL 11 HG22 VAL 11 1.387 5.312 -10.065 13 HG23 VAL 11 HG23 VAL 11 0.812 4.508 -11.525 14 H HIS 12 HN HIS 12 3.390 0.321 -10.379 15 HA HIS 12 HA HIS 12 2.302 -1.079 -8.195 16 HB2 HIS 12 HB2 HIS 12 1.632 -3.165 -9.118 17 HB3 HIS 12 HB1 HIS 12 0.824 -1.947 -10.094 18 HD1 HIS 12 HD1 HIS 12 2.906 -4.896 -10.357 19 HD2 HIS 12 HD2 HIS 12 2.230 -1.507 -12.665 20 HE1 HIS 12 HE1 HIS 12 3.770 -5.457 -12.645 21 HE2 HIS 12 HE2 HIS 12 3.226 -3.446 -14.058 22 H THR 13 HN THR 13 3.856 -2.344 -7.233 23 HA THR 13 HA THR 13 5.923 -3.132 -6.736 24 HB THR 13 HB THR 13 6.634 -3.489 -9.620 25 HG1 THR 13 HG1 THR 13 5.198 -5.590 -8.981 26 HG21 THR 13 HG21 THR 13 7.629 -5.508 -8.865 27 HG22 THR 13 HG22 THR 13 6.751 -5.457 -7.338 28 HG23 THR 13 HG23 THR 13 8.035 -4.292 -7.654 29 H GLY 14 HN GLY 14 8.334 -2.839 -8.486 30 HA2 GLY 14 HA2 GLY 14 9.931 -1.268 -9.047 31 HA3 GLY 14 HA1 GLY 14 8.691 -0.028 -8.935 32 H ASN 15 HN ASN 15 9.062 -2.138 -6.289 33 HA ASN 15 HA ASN 15 9.327 -1.655 -4.089 34 HB2 ASN 15 HB2 ASN 15 11.692 -1.317 -3.463 35 HB3 ASN 15 HB1 ASN 15 11.456 -2.603 -4.637 36 HD21 ASN 15 HD21 ASN 15 13.070 0.271 -3.899 37 HD22 ASN 15 HD22 ASN 15 13.910 0.466 -5.396 38 H ILE 16 HN ILE 16 7.818 0.206 -4.643 39 HA ILE 16 HA ILE 16 9.012 2.706 -3.650 40 HB ILE 16 HB ILE 16 6.885 2.241 -5.718 41 HG12 ILE 16 HG12 ILE 16 9.296 2.655 -6.320 42 HG13 ILE 16 HG11 ILE 16 8.148 3.777 -7.041 43 HG21 ILE 16 HG21 ILE 16 5.820 3.695 -4.093 44 HG22 ILE 16 HG22 ILE 16 6.200 4.588 -5.566 45 HG23 ILE 16 HG23 ILE 16 7.208 4.784 -4.131 46 HD11 ILE 16 HD11 ILE 16 10.084 4.979 -6.297 47 HD12 ILE 16 HD12 ILE 16 9.934 4.296 -4.678 48 HD13 ILE 16 HD13 ILE 16 8.710 5.415 -5.279 49 H GLY 17 HN GLY 17 8.233 3.376 -1.735 50 HA2 GLY 17 HA2 GLY 17 5.827 2.021 -0.701 51 HA3 GLY 17 HA1 GLY 17 7.096 2.734 0.288 52 H SER 18 HN SER 18 5.024 3.627 1.274 53 HA SER 18 HA SER 18 4.697 6.329 0.268 54 HB2 SER 18 HB2 SER 18 2.382 4.413 0.589 55 HB3 SER 18 HB1 SER 18 2.190 6.163 0.484 56 HG SER 18 HG SER 18 3.738 4.981 -1.493 57 H LYS 19 HN LYS 19 4.991 7.623 1.937 58 HA LYS 19 HA LYS 19 4.625 6.616 4.645 59 HB2 LYS 19 HB2 LYS 19 6.613 8.047 3.767 60 HB3 LYS 19 HB1 LYS 19 5.512 9.407 3.949 61 HG2 LYS 19 HG2 LYS 19 5.208 8.729 6.337 62 HG3 LYS 19 HG1 LYS 19 6.493 7.546 6.096 63 HD2 LYS 19 HD2 LYS 19 7.498 9.470 7.058 64 HD3 LYS 19 HD1 LYS 19 7.961 9.450 5.355 65 HE2 LYS 19 HE2 LYS 19 7.274 11.693 6.232 66 HE3 LYS 19 HE1 LYS 19 6.372 11.143 4.822 67 HZ1 LYS 19 HZ1 LYS 19 4.568 10.475 6.273 68 HZ2 LYS 19 HZ2 LYS 19 4.924 12.110 6.499 69 HZ3 LYS 19 HZ3 LYS 19 5.436 10.972 7.639 70 H ALA 20 HN ALA 20 2.377 7.301 2.754 71 HA ALA 20 HA ALA 20 1.069 9.605 3.838 72 HB1 ALA 20 HB1 ALA 20 -0.769 9.024 2.414 73 HB2 ALA 20 HB2 ALA 20 -0.140 7.394 2.184 74 HB3 ALA 20 HB3 ALA 20 0.727 8.778 1.516 75 H GLN 21 HN GLN 21 -1.169 9.410 4.765 76 HA GLN 21 HA GLN 21 -1.061 7.777 7.106 77 HB2 GLN 21 HB2 GLN 21 -2.080 10.143 6.814 78 HB3 GLN 21 HB1 GLN 21 -3.490 9.298 6.189 79 HG2 GLN 21 HG2 GLN 21 -2.786 8.021 8.596 80 HG3 GLN 21 HG1 GLN 21 -2.713 9.757 8.897 81 HE21 GLN 21 HE21 GLN 21 -4.574 7.857 9.966 82 HE22 GLN 21 HE22 GLN 21 -6.150 8.361 9.461 83 H THR 22 HN THR 22 -2.151 5.965 7.593 84 HA THR 22 HA THR 22 -3.386 4.497 5.426 85 HB THR 22 HB THR 22 -3.141 3.572 8.290 86 HG1 THR 22 HG1 THR 22 -1.059 3.861 7.993 87 HG21 THR 22 HG21 THR 22 -2.979 1.359 7.265 88 HG22 THR 22 HG22 THR 22 -3.071 2.084 5.660 89 HG23 THR 22 HG23 THR 22 -4.455 2.174 6.749 90 H ILE 23 HN ILE 23 -5.542 3.937 5.295 91 HA ILE 23 HA ILE 23 -7.393 5.703 6.536 92 HB ILE 23 HB ILE 23 -8.089 3.151 5.081 93 HG12 ILE 23 HG12 ILE 23 -7.764 5.896 3.864 94 HG13 ILE 23 HG11 ILE 23 -6.496 4.677 3.819 95 HG21 ILE 23 HG21 ILE 23 -10.137 4.442 4.502 96 HG22 ILE 23 HG22 ILE 23 -9.581 5.730 5.569 97 HG23 ILE 23 HG23 ILE 23 -9.962 4.140 6.229 98 HD11 ILE 23 HD11 ILE 23 -8.070 3.174 2.630 99 HD12 ILE 23 HD12 ILE 23 -7.672 4.647 1.745 100 HD13 ILE 23 HD13 ILE 23 -9.225 4.508 2.572 101 H GLY 24 HN GLY 24 -6.901 2.180 6.887 102 HA2 GLY 24 HA2 GLY 24 -8.327 2.418 9.460 103 HA3 GLY 24 HA1 GLY 24 -8.508 1.031 8.404 104 H GLU 25 HN GLU 25 -7.878 -0.426 9.921 105 HA GLU 25 HA GLU 25 -5.376 -0.203 11.317 106 HB2 GLU 25 HB2 GLU 25 -7.020 -1.308 12.550 107 HB3 GLU 25 HB1 GLU 25 -7.587 -2.222 11.162 108 HG2 GLU 25 HG2 GLU 25 -4.880 -2.940 11.703 109 HG3 GLU 25 HG1 GLU 25 -5.819 -3.039 13.192 110 H VAL 26 HN VAL 26 -3.477 -1.154 10.841 111 HA VAL 26 HA VAL 26 -3.061 -2.132 8.175 112 HB VAL 26 HB VAL 26 -1.139 -2.098 10.514 113 HG11 VAL 26 HG11 VAL 26 -0.373 -3.616 8.826 114 HG12 VAL 26 HG12 VAL 26 0.592 -2.142 8.725 115 HG13 VAL 26 HG13 VAL 26 -0.692 -2.439 7.552 116 HG21 VAL 26 HG21 VAL 26 -1.513 -0.072 8.309 117 HG22 VAL 26 HG22 VAL 26 -0.276 -0.024 9.564 118 HG23 VAL 26 HG23 VAL 26 -1.978 0.142 9.995 119 H LYS 27 HN LYS 27 -3.379 -4.183 7.563 120 HA LYS 27 HA LYS 27 -3.098 -6.282 9.605 121 HB2 LYS 27 HB2 LYS 27 -4.812 -7.396 7.789 122 HB3 LYS 27 HB1 LYS 27 -5.287 -6.657 9.308 123 HG2 LYS 27 HG2 LYS 27 -5.593 -4.503 8.076 124 HG3 LYS 27 HG1 LYS 27 -5.310 -5.389 6.576 125 HD2 LYS 27 HD2 LYS 27 -7.278 -6.606 6.777 126 HD3 LYS 27 HD1 LYS 27 -7.387 -6.328 8.516 127 HE2 LYS 27 HE2 LYS 27 -7.784 -4.242 6.371 128 HE3 LYS 27 HE1 LYS 27 -9.069 -5.038 7.279 129 HZ1 LYS 27 HZ1 LYS 27 -7.895 -4.123 9.329 130 HZ2 LYS 27 HZ2 LYS 27 -8.739 -3.019 8.361 131 HZ3 LYS 27 HZ3 LYS 27 -7.051 -3.112 8.264 132 H ARG 28 HN ARG 28 -2.641 -8.427 8.731 133 HA ARG 28 HA ARG 28 -0.469 -8.269 6.860 134 HB2 ARG 28 HB2 ARG 28 -0.267 -9.702 8.804 135 HB3 ARG 28 HB1 ARG 28 -1.705 -10.596 8.343 136 HG2 ARG 28 HG2 ARG 28 -0.558 -11.464 6.379 137 HG3 ARG 28 HG1 ARG 28 0.884 -10.538 6.799 138 HD2 ARG 28 HD2 ARG 28 0.997 -12.932 7.472 139 HD3 ARG 28 HD1 ARG 28 1.182 -11.803 8.815 140 HE ARG 28 HE ARG 28 -1.499 -12.824 8.328 141 HH11 ARG 28 HH11 ARG 28 1.489 -13.048 10.172 142 HH12 ARG 28 HH12 ARG 28 0.711 -13.932 11.532 143 HH21 ARG 28 HH21 ARG 28 -2.523 -13.930 10.032 144 HH22 ARG 28 HH22 ARG 28 -1.537 -14.427 11.462 145 H ALA 29 HN ALA 29 -0.412 -8.925 4.804 146 HA ALA 29 HA ALA 29 -2.893 -10.020 3.646 147 HB1 ALA 29 HB1 ALA 29 -0.945 -8.032 2.490 148 HB2 ALA 29 HB2 ALA 29 -2.658 -7.794 2.836 149 HB3 ALA 29 HB3 ALA 29 -2.163 -8.867 1.528 150 H SER 30 HN SER 30 -2.681 -11.702 2.197 151 HA SER 30 HA SER 30 -0.326 -13.282 2.443 152 HB2 SER 30 HB2 SER 30 -2.196 -14.069 0.339 153 HB3 SER 30 HB1 SER 30 -1.685 -14.951 1.777 154 HG SER 30 HG SER 30 -3.983 -13.664 1.343 155 H SER 31 HN SER 31 -1.414 -10.933 0.145 156 HA SER 31 HA SER 31 1.047 -11.049 -1.291 157 HB2 SER 31 HB2 SER 31 0.052 -11.611 -3.504 158 HB3 SER 31 HB1 SER 31 -0.048 -12.952 -2.364 159 HG SER 31 HG SER 31 -2.045 -12.782 -3.275 160 H LEU 32 HN LEU 32 0.674 -9.665 -3.456 161 HA LEU 32 HA LEU 32 -0.070 -7.068 -2.611 162 HB2 LEU 32 HB2 LEU 32 1.648 -7.504 -4.334 163 HB3 LEU 32 HB1 LEU 32 0.406 -8.123 -5.405 164 HG LEU 32 HG LEU 32 -0.669 -5.806 -5.229 165 HD11 LEU 32 HD11 LEU 32 2.061 -5.215 -4.104 166 HD12 LEU 32 HD12 LEU 32 0.497 -4.924 -3.342 167 HD13 LEU 32 HD13 LEU 32 0.973 -3.990 -4.762 168 HD21 LEU 32 HD21 LEU 32 0.806 -4.905 -6.969 169 HD22 LEU 32 HD22 LEU 32 0.428 -6.609 -7.235 170 HD23 LEU 32 HD23 LEU 32 2.000 -6.145 -6.584 171 H SER 33 HN SER 33 -1.595 -9.506 -4.669 172 HA SER 33 HA SER 33 -3.832 -8.004 -5.463 173 HB2 SER 33 HB2 SER 33 -4.191 -10.921 -5.029 174 HB3 SER 33 HB1 SER 33 -4.520 -9.945 -6.463 175 HG SER 33 HG SER 33 -2.699 -11.473 -6.591 176 H GLU 34 HN GLU 34 -3.182 -10.024 -2.657 177 HA GLU 34 HA GLU 34 -5.747 -10.027 -1.523 178 HB2 GLU 34 HB2 GLU 34 -3.548 -11.312 -0.887 179 HB3 GLU 34 HB1 GLU 34 -3.272 -9.931 0.163 180 HG2 GLU 34 HG2 GLU 34 -4.306 -11.450 1.552 181 HG3 GLU 34 HG1 GLU 34 -5.633 -10.402 1.054 182 H CYS 35 HN CYS 35 -3.049 -7.777 -1.281 183 HA CYS 35 HA CYS 35 -4.246 -6.070 0.661 184 HB2 CYS 35 HB2 CYS 35 -1.795 -6.177 0.245 185 HB3 CYS 35 HB1 CYS 35 -2.056 -5.437 -1.331 186 H ARG 36 HN ARG 36 -4.158 -6.173 -2.849 187 HA ARG 36 HA ARG 36 -5.232 -3.660 -3.426 188 HB2 ARG 36 HB2 ARG 36 -4.255 -5.205 -5.109 189 HB3 ARG 36 HB1 ARG 36 -5.662 -6.245 -4.946 190 HG2 ARG 36 HG2 ARG 36 -7.087 -4.402 -5.735 191 HG3 ARG 36 HG1 ARG 36 -5.645 -3.412 -5.962 192 HD2 ARG 36 HD2 ARG 36 -6.228 -4.330 -8.077 193 HD3 ARG 36 HD1 ARG 36 -4.787 -5.172 -7.514 194 HE ARG 36 HE ARG 36 -7.003 -6.655 -6.699 195 HH11 ARG 36 HH11 ARG 36 -5.437 -5.645 -9.679 196 HH12 ARG 36 HH12 ARG 36 -5.971 -7.103 -10.596 197 HH21 ARG 36 HH21 ARG 36 -7.721 -8.506 -7.824 198 HH22 ARG 36 HH22 ARG 36 -7.262 -8.692 -9.559 199 H ALA 37 HN ALA 37 -6.856 -6.783 -2.953 200 HA ALA 37 HA ALA 37 -9.485 -5.909 -3.317 201 HB1 ALA 37 HB1 ALA 37 -8.834 -8.269 -3.276 202 HB2 ALA 37 HB2 ALA 37 -10.153 -7.940 -2.150 203 HB3 ALA 37 HB3 ALA 37 -8.509 -8.147 -1.547 204 H ARG 38 HN ARG 38 -7.413 -5.801 -0.487 205 HA ARG 38 HA ARG 38 -9.466 -5.149 1.377 206 HB2 ARG 38 HB2 ARG 38 -6.521 -5.315 1.391 207 HB3 ARG 38 HB1 ARG 38 -7.204 -4.160 2.527 208 HG2 ARG 38 HG2 ARG 38 -6.818 -6.410 3.486 209 HG3 ARG 38 HG1 ARG 38 -8.495 -5.873 3.586 210 HD2 ARG 38 HD2 ARG 38 -9.071 -7.235 1.662 211 HD3 ARG 38 HD1 ARG 38 -7.385 -7.714 1.472 212 HE ARG 38 HE ARG 38 -8.660 -8.339 4.013 213 HH11 ARG 38 HH11 ARG 38 -7.680 -9.419 0.824 214 HH12 ARG 38 HH12 ARG 38 -7.676 -11.168 1.270 215 HH21 ARG 38 HH21 ARG 38 -8.696 -10.526 4.644 216 HH22 ARG 38 HH22 ARG 38 -8.239 -11.785 3.434 217 H CYS 39 HN CYS 39 -7.306 -3.273 -0.661 218 HA CYS 39 HA CYS 39 -8.085 -0.769 0.514 219 HB2 CYS 39 HB2 CYS 39 -5.891 -1.449 -0.810 220 HB3 CYS 39 HB1 CYS 39 -6.835 -0.896 -2.189 221 H GLN 40 HN GLN 40 -9.058 -2.708 -2.247 222 HA GLN 40 HA GLN 40 -10.602 -0.713 -3.540 223 HB2 GLN 40 HB2 GLN 40 -10.713 -3.725 -3.655 224 HB3 GLN 40 HB1 GLN 40 -11.733 -2.690 -4.643 225 HG2 GLN 40 HG2 GLN 40 -9.750 -1.700 -5.659 226 HG3 GLN 40 HG1 GLN 40 -8.724 -2.736 -4.667 227 HE21 GLN 40 HE21 GLN 40 -10.770 -2.544 -7.434 228 HE22 GLN 40 HE22 GLN 40 -10.456 -4.134 -8.039 229 H ALA 41 HN ALA 41 -11.092 -2.393 -0.659 230 HA ALA 41 HA ALA 41 -13.972 -2.416 -0.746 231 HB1 ALA 41 HB1 ALA 41 -12.063 -2.885 1.542 232 HB2 ALA 41 HB2 ALA 41 -12.801 -4.122 0.524 233 HB3 ALA 41 HB3 ALA 41 -13.807 -3.148 1.595 234 H GLU 42 HN GLU 42 -11.642 -0.075 -0.258 235 HA GLU 42 HA GLU 42 -13.384 1.548 1.463 236 HB2 GLU 42 HB2 GLU 42 -10.576 1.122 1.454 237 HB3 GLU 42 HB1 GLU 42 -10.855 2.799 1.000 238 HG2 GLU 42 HG2 GLU 42 -11.604 1.386 3.531 239 HG3 GLU 42 HG1 GLU 42 -10.651 2.854 3.318 240 H LYS 43 HN LYS 43 -13.387 3.909 0.947 241 HA LYS 43 HA LYS 43 -13.654 4.240 -1.967 242 HB2 LYS 43 HB2 LYS 43 -15.182 6.116 -1.412 243 HB3 LYS 43 HB1 LYS 43 -15.739 4.566 -0.802 244 HG2 LYS 43 HG2 LYS 43 -14.676 5.234 1.413 245 HG3 LYS 43 HG1 LYS 43 -14.557 6.858 0.733 246 HD2 LYS 43 HD2 LYS 43 -16.582 6.790 1.978 247 HD3 LYS 43 HD1 LYS 43 -17.037 6.726 0.276 248 HE2 LYS 43 HE2 LYS 43 -17.239 4.269 0.459 249 HE3 LYS 43 HE1 LYS 43 -16.871 4.389 2.177 250 HZ1 LYS 43 HZ1 LYS 43 -19.232 4.240 1.848 251 HZ2 LYS 43 HZ2 LYS 43 -19.220 5.564 0.794 252 HZ3 LYS 43 HZ3 LYS 43 -18.854 5.785 2.428 253 H GLU 44 HN GLU 44 -12.009 5.348 0.845 254 HA GLU 44 HA GLU 44 -11.006 7.729 -0.495 255 HB2 GLU 44 HB2 GLU 44 -10.574 6.624 2.281 256 HB3 GLU 44 HB1 GLU 44 -9.756 8.057 1.675 257 HG2 GLU 44 HG2 GLU 44 -12.015 9.046 1.239 258 HG3 GLU 44 HG1 GLU 44 -12.701 7.673 2.103 259 H CYS 45 HN CYS 45 -10.301 4.597 -0.735 260 HA CYS 45 HA CYS 45 -7.476 4.545 -0.395 261 HB2 CYS 45 HB2 CYS 45 -8.577 2.453 -0.300 262 HB3 CYS 45 HB1 CYS 45 -9.419 2.740 -1.818 263 H SER 46 HN SER 46 -6.245 5.889 -1.544 264 HA SER 46 HA SER 46 -6.806 6.254 -4.396 265 HB2 SER 46 HB2 SER 46 -5.090 8.096 -4.192 266 HB3 SER 46 HB1 SER 46 -6.533 8.327 -3.206 267 HG SER 46 HG SER 46 -4.739 8.754 -1.943 268 H HIS 47 HN HIS 47 -4.795 4.604 -2.234 269 HA HIS 47 HA HIS 47 -3.382 3.207 -4.232 270 HB2 HIS 47 HB2 HIS 47 -1.112 4.037 -3.813 271 HB3 HIS 47 HB1 HIS 47 -2.135 5.332 -4.421 272 HD1 HIS 47 HD1 HIS 47 -3.199 6.875 -2.330 273 HD2 HIS 47 HD2 HIS 47 0.311 4.749 -1.639 274 HE1 HIS 47 HE1 HIS 47 -2.142 7.952 -0.319 275 HE2 HIS 47 HE2 HIS 47 -0.109 6.547 0.166 276 H TYR 48 HN TYR 48 -2.369 1.397 -3.361 277 HA TYR 48 HA TYR 48 -2.494 1.202 -0.422 278 HB2 TYR 48 HB2 TYR 48 -2.920 -1.220 -0.690 279 HB3 TYR 48 HB1 TYR 48 -4.185 -0.235 -1.413 280 HD1 TYR 48 HD2 TYR 48 -4.327 -0.049 -3.897 281 HD2 TYR 48 HD1 TYR 48 -1.606 -2.715 -2.003 282 HE1 TYR 48 HE2 TYR 48 -4.059 -1.273 -6.013 283 HE2 TYR 48 HE1 TYR 48 -1.335 -3.946 -4.112 284 HH TYR 48 HH TYR 48 -2.242 -4.268 -6.178 285 H THR 49 HN THR 49 -0.718 0.564 0.633 286 HA THR 49 HA THR 49 1.633 -0.069 -1.012 287 HB THR 49 HB THR 49 1.541 1.086 1.783 288 HG1 THR 49 HG1 THR 49 2.315 2.349 -0.656 289 HG21 THR 49 HG21 THR 49 3.961 1.530 1.370 290 HG22 THR 49 HG22 THR 49 3.843 0.559 -0.099 291 HG23 THR 49 HG23 THR 49 3.565 -0.186 1.475 292 H TYR 50 HN TYR 50 1.995 -2.187 -1.066 293 HA TYR 50 HA TYR 50 1.467 -3.758 1.359 294 HB2 TYR 50 HB2 TYR 50 0.290 -4.642 -0.539 295 HB3 TYR 50 HB1 TYR 50 1.737 -4.573 -1.542 296 HD1 TYR 50 HD1 TYR 50 0.672 -6.093 1.713 297 HD2 TYR 50 HD2 TYR 50 2.789 -6.582 -1.947 298 HE1 TYR 50 HE1 TYR 50 1.214 -8.406 2.343 299 HE2 TYR 50 HE2 TYR 50 3.331 -8.899 -1.327 300 HH TYR 50 HH TYR 50 3.563 -10.217 0.838 301 H ASN 51 HN ASN 51 3.143 -4.278 2.563 302 HA ASN 51 HA ASN 51 5.833 -4.060 1.450 303 HB2 ASN 51 HB2 ASN 51 5.253 -2.964 3.628 304 HB3 ASN 51 HB1 ASN 51 5.002 -4.566 4.314 305 HD21 ASN 51 HD21 ASN 51 7.305 -2.272 3.129 306 HD22 ASN 51 HD22 ASN 51 8.717 -3.076 3.747 307 H VAL 52 HN VAL 52 6.862 -5.804 0.722 308 HA VAL 52 HA VAL 52 5.746 -8.435 1.209 309 HB VAL 52 HB VAL 52 7.395 -9.268 -0.379 310 HG11 VAL 52 HG11 VAL 52 5.350 -8.383 -1.281 311 HG12 VAL 52 HG12 VAL 52 6.680 -7.948 -2.354 312 HG13 VAL 52 HG13 VAL 52 5.997 -6.744 -1.259 313 HG21 VAL 52 HG21 VAL 52 8.448 -6.439 -0.427 314 HG22 VAL 52 HG22 VAL 52 8.944 -7.743 -1.510 315 HG23 VAL 52 HG23 VAL 52 9.283 -7.854 0.218 316 H LYS 53 HN LYS 53 7.986 -6.554 2.832 317 HA LYS 53 HA LYS 53 9.747 -8.719 3.596 318 HB2 LYS 53 HB2 LYS 53 9.524 -5.886 4.627 319 HB3 LYS 53 HB1 LYS 53 10.757 -7.035 5.120 320 HG2 LYS 53 HG2 LYS 53 10.347 -5.998 2.322 321 HG3 LYS 53 HG1 LYS 53 11.584 -5.450 3.454 322 HD2 LYS 53 HD2 LYS 53 12.344 -7.893 3.530 323 HD3 LYS 53 HD1 LYS 53 11.327 -8.130 2.110 324 HE2 LYS 53 HE2 LYS 53 13.657 -7.702 1.493 325 HE3 LYS 53 HE1 LYS 53 12.581 -6.438 0.900 326 HZ1 LYS 53 HZ1 LYS 53 13.332 -4.949 2.530 327 HZ2 LYS 53 HZ2 LYS 53 14.732 -5.694 1.954 328 HZ3 LYS 53 HZ3 LYS 53 14.081 -6.164 3.439 329 H SER 54 HN SER 54 7.180 -6.800 5.085 330 HA SER 54 HA SER 54 7.174 -8.612 7.390 331 HB2 SER 54 HB2 SER 54 5.456 -6.163 7.162 332 HB3 SER 54 HB1 SER 54 6.133 -6.914 8.608 333 HG SER 54 HG SER 54 8.157 -6.140 8.028 334 H GLY 55 HN GLY 55 5.400 -7.853 4.530 335 HA2 GLY 55 HA2 GLY 55 3.611 -8.993 3.599 336 HA3 GLY 55 HA1 GLY 55 3.546 -9.998 5.042 337 H LEU 56 HN LEU 56 3.467 -6.512 5.140 338 HA LEU 56 HA LEU 56 0.747 -6.673 6.225 339 HB2 LEU 56 HB2 LEU 56 2.863 -4.555 6.580 340 HB3 LEU 56 HB1 LEU 56 1.250 -4.481 7.259 341 HG LEU 56 HG LEU 56 3.262 -6.632 7.927 342 HD11 LEU 56 HD11 LEU 56 2.501 -4.174 9.494 343 HD12 LEU 56 HD12 LEU 56 4.037 -4.431 8.667 344 HD13 LEU 56 HD13 LEU 56 3.585 -5.457 10.027 345 HD21 LEU 56 HD21 LEU 56 0.995 -7.370 8.268 346 HD22 LEU 56 HD22 LEU 56 0.598 -5.879 9.122 347 HD23 LEU 56 HD23 LEU 56 1.729 -7.027 9.835 348 H CYS 57 HN CYS 57 -0.880 -5.478 5.435 349 HA CYS 57 HA CYS 57 -0.383 -4.089 2.896 350 HB2 CYS 57 HB2 CYS 57 -2.004 -5.865 2.712 351 HB3 CYS 57 HB1 CYS 57 -2.894 -5.265 4.106 352 H TYR 58 HN TYR 58 -0.617 -1.934 2.772 353 HA TYR 58 HA TYR 58 -1.841 -0.571 5.080 354 HB2 TYR 58 HB2 TYR 58 0.446 0.328 3.328 355 HB3 TYR 58 HB1 TYR 58 -0.336 1.337 4.534 356 HD1 TYR 58 HD2 TYR 58 1.709 -1.724 4.080 357 HD2 TYR 58 HD1 TYR 58 0.280 1.216 6.804 358 HE1 TYR 58 HE2 TYR 58 3.293 -2.536 5.778 359 HE2 TYR 58 HE1 TYR 58 1.865 0.417 8.503 360 HH TYR 58 HH TYR 58 4.404 -1.758 7.779 361 HA PRO 59 HA PRO 59 -4.434 0.767 1.520 362 HB2 PRO 59 HB2 PRO 59 -6.514 1.019 3.569 363 HB3 PRO 59 HB1 PRO 59 -6.517 0.023 2.108 364 HG2 PRO 59 HG2 PRO 59 -6.368 -1.053 4.579 365 HG3 PRO 59 HG1 PRO 59 -5.599 -1.792 3.160 366 HD2 PRO 59 HD2 PRO 59 -4.360 -0.156 5.332 367 HD3 PRO 59 HD1 PRO 59 -3.740 -1.608 4.518 368 H LYS 60 HN LYS 60 -3.534 2.789 1.263 369 HA LYS 60 HA LYS 60 -3.962 4.713 3.437 370 HB2 LYS 60 HB2 LYS 60 -1.889 4.684 1.250 371 HB3 LYS 60 HB1 LYS 60 -2.091 5.989 2.414 372 HG2 LYS 60 HG2 LYS 60 -1.547 4.534 4.234 373 HG3 LYS 60 HG1 LYS 60 -1.520 3.132 3.163 374 HD2 LYS 60 HD2 LYS 60 0.393 4.041 1.982 375 HD3 LYS 60 HD1 LYS 60 0.341 5.498 2.976 376 HE2 LYS 60 HE2 LYS 60 0.886 2.688 3.921 377 HE3 LYS 60 HE1 LYS 60 2.059 3.995 3.789 378 HZ1 LYS 60 HZ1 LYS 60 0.536 5.220 5.400 379 HZ2 LYS 60 HZ2 LYS 60 1.489 3.967 6.021 380 HZ3 LYS 60 HZ3 LYS 60 -0.162 3.707 5.719 381 H ARG 61 HN ARG 61 -4.192 6.967 2.836 382 HA ARG 61 HA ARG 61 -5.728 7.354 0.358 383 HB2 ARG 61 HB2 ARG 61 -7.307 8.766 1.622 384 HB3 ARG 61 HB1 ARG 61 -7.318 7.107 2.200 385 HG2 ARG 61 HG2 ARG 61 -6.054 7.686 4.132 386 HG3 ARG 61 HG1 ARG 61 -5.742 9.308 3.510 387 HD2 ARG 61 HD2 ARG 61 -8.142 9.798 3.629 388 HD3 ARG 61 HD1 ARG 61 -8.433 8.185 4.278 389 HE ARG 61 HE ARG 61 -6.544 9.431 5.912 390 HH11 ARG 61 HH11 ARG 61 -9.924 9.836 4.967 391 HH12 ARG 61 HH12 ARG 61 -10.386 10.544 6.568 392 HH21 ARG 61 HH21 ARG 61 -7.091 10.342 7.920 393 HH22 ARG 61 HH22 ARG 61 -8.807 10.828 8.217 394 H GLY 62 HN GLY 62 -6.236 9.927 0.381 395 HA2 GLY 62 HA2 GLY 62 -5.388 12.031 0.120 396 HA3 GLY 62 HA1 GLY 62 -4.309 11.665 1.455 397 H LYS 63 HN LYS 63 -2.692 12.856 0.474 398 HA LYS 63 HA LYS 63 -1.696 12.396 -2.126 399 HB2 LYS 63 HB2 LYS 63 -1.341 14.463 -0.773 400 HB3 LYS 63 HB1 LYS 63 -0.242 13.553 0.252 401 HG2 LYS 63 HG2 LYS 63 1.228 13.164 -1.659 402 HG3 LYS 63 HG1 LYS 63 0.127 14.083 -2.689 403 HD2 LYS 63 HD2 LYS 63 0.482 15.914 -0.818 404 HD3 LYS 63 HD1 LYS 63 1.983 15.021 -0.565 405 HE2 LYS 63 HE2 LYS 63 1.078 16.055 -3.243 406 HE3 LYS 63 HE1 LYS 63 2.150 16.942 -2.163 407 HZ1 LYS 63 HZ1 LYS 63 3.701 15.065 -2.276 408 HZ2 LYS 63 HZ2 LYS 63 3.425 15.753 -3.795 409 HZ3 LYS 63 HZ3 LYS 63 2.688 14.291 -3.384 410 HA PRO 64 HA PRO 64 0.516 8.635 -1.194 411 HB2 PRO 64 HB2 PRO 64 1.427 8.171 -3.690 412 HB3 PRO 64 HB1 PRO 64 -0.264 7.905 -3.238 413 HG2 PRO 64 HG2 PRO 64 0.943 10.184 -4.725 414 HG3 PRO 64 HG1 PRO 64 -0.607 9.364 -4.990 415 HD2 PRO 64 HD2 PRO 64 -0.347 11.758 -3.682 416 HD3 PRO 64 HD1 PRO 64 -1.689 10.624 -3.434 417 H GLN 65 HN GLN 65 2.091 9.685 0.126 418 HA GLN 65 HA GLN 65 4.343 11.036 -0.979 419 HB2 GLN 65 HB2 GLN 65 4.042 9.726 1.733 420 HB3 GLN 65 HB1 GLN 65 5.279 10.891 1.281 421 HG2 GLN 65 HG2 GLN 65 3.796 12.659 1.252 422 HG3 GLN 65 HG1 GLN 65 2.394 11.611 1.042 423 HE21 GLN 65 HE21 GLN 65 1.255 12.415 2.744 424 HE22 GLN 65 HE22 GLN 65 1.720 12.186 4.393 425 H PHE 66 HN PHE 66 5.006 9.608 -2.607 426 HA PHE 66 HA PHE 66 5.808 6.927 -2.133 427 HB2 PHE 66 HB2 PHE 66 6.172 8.872 -4.393 428 HB3 PHE 66 HB1 PHE 66 7.025 7.335 -4.401 429 HD1 PHE 66 HD1 PHE 66 3.896 7.004 -2.774 430 HD2 PHE 66 HD2 PHE 66 5.717 7.227 -6.614 431 HE1 PHE 66 HE1 PHE 66 1.932 5.903 -3.768 432 HE2 PHE 66 HE2 PHE 66 3.760 6.130 -7.612 433 HZ PHE 66 HZ PHE 66 1.862 5.465 -6.193 434 H TYR 67 HN TYR 67 7.816 6.022 -1.986 435 HA TYR 67 HA TYR 67 10.201 7.607 -2.006 436 HB2 TYR 67 HB2 TYR 67 10.913 7.292 0.241 437 HB3 TYR 67 HB1 TYR 67 9.287 7.949 0.323 438 HD1 TYR 67 HD2 TYR 67 7.412 6.507 1.058 439 HD2 TYR 67 HD1 TYR 67 11.427 5.109 1.085 440 HE1 TYR 67 HE2 TYR 67 6.763 4.676 2.571 441 HE2 TYR 67 HE1 TYR 67 10.789 3.283 2.597 442 HH TYR 67 HH TYR 67 7.867 2.181 3.035 443 H LYS 68 HN LYS 68 12.018 6.378 -2.351 444 HA LYS 68 HA LYS 68 11.545 3.734 -3.365 445 HB2 LYS 68 HB2 LYS 68 13.078 5.366 -4.439 446 HB3 LYS 68 HB1 LYS 68 14.148 5.242 -3.051 447 HG2 LYS 68 HG2 LYS 68 15.201 3.634 -4.159 448 HG3 LYS 68 HG1 LYS 68 13.791 2.616 -3.861 449 HD2 LYS 68 HD2 LYS 68 13.940 4.475 -6.221 450 HD3 LYS 68 HD1 LYS 68 14.608 2.844 -6.277 451 HE2 LYS 68 HE2 LYS 68 12.292 2.098 -5.442 452 HE3 LYS 68 HE1 LYS 68 11.755 3.703 -5.939 453 HZ1 LYS 68 HZ1 LYS 68 13.202 1.875 -7.769 454 HZ2 LYS 68 HZ2 LYS 68 12.296 3.248 -8.165 455 HZ3 LYS 68 HZ3 LYS 68 11.518 1.850 -7.616 456 H TYR 69 HN TYR 69 11.679 1.892 -2.277 457 HA TYR 69 HA TYR 69 13.734 1.389 -0.348 458 HB2 TYR 69 HB2 TYR 69 12.485 2.367 1.326 459 HB3 TYR 69 HB1 TYR 69 10.953 2.007 0.545 460 HD1 TYR 69 HD1 TYR 69 13.805 0.208 2.192 461 HD2 TYR 69 HD2 TYR 69 9.619 0.400 1.486 462 HE1 TYR 69 HE1 TYR 69 13.464 -1.697 3.711 463 HE2 TYR 69 HE2 TYR 69 9.267 -1.501 2.994 464 HH TYR 69 HH TYR 69 11.876 -2.844 4.908 465 H LEU 70 HN LEU 70 14.298 -0.650 -0.598 466 HA LEU 70 HA LEU 70 12.847 -2.441 -2.245 467 HB2 LEU 70 HB2 LEU 70 15.338 -2.562 -0.626 468 HB3 LEU 70 HB1 LEU 70 14.612 -4.078 -1.125 469 HG LEU 70 HG LEU 70 15.356 -1.880 -3.055 470 HD11 LEU 70 HD11 LEU 70 17.381 -2.641 -1.995 471 HD12 LEU 70 HD12 LEU 70 17.290 -3.323 -3.617 472 HD13 LEU 70 HD13 LEU 70 16.908 -4.324 -2.218 473 HD21 LEU 70 HD21 LEU 70 15.278 -3.844 -4.650 474 HD22 LEU 70 HD22 LEU 70 13.726 -3.294 -4.020 475 HD23 LEU 70 HD23 LEU 70 14.483 -4.742 -3.358 476 H GLY 71 HN GLY 71 10.882 -3.028 -1.490 477 HA2 GLY 71 HA2 GLY 71 10.344 -5.161 -0.034 478 HA3 GLY 71 HA1 GLY 71 10.629 -3.999 1.253 479 H ASP 72 HN ASP 72 9.499 -1.798 -0.375 480 HA ASP 72 HA ASP 72 6.707 -2.353 0.264 481 HB2 ASP 72 HB2 ASP 72 8.347 0.107 -0.040 482 HB3 ASP 72 HB1 ASP 72 6.642 0.225 -0.450 483 H MET 73 HN MET 73 5.124 -2.489 -1.187 484 HA MET 73 HA MET 73 5.747 -1.854 -3.990 485 HB2 MET 73 HB2 MET 73 4.443 -4.333 -2.870 486 HB3 MET 73 HB1 MET 73 4.186 -3.828 -4.535 487 HG2 MET 73 HG2 MET 73 6.551 -4.001 -4.992 488 HG3 MET 73 HG1 MET 73 6.873 -4.398 -3.308 489 HE1 MET 73 HE1 MET 73 4.854 -5.520 -6.485 490 HE2 MET 73 HE2 MET 73 3.698 -5.793 -5.181 491 HE3 MET 73 HE3 MET 73 4.385 -7.163 -6.050 492 H THR 74 HN THR 74 4.670 0.116 -3.800 493 HA THR 74 HA THR 74 1.914 0.149 -2.934 494 HB THR 74 HB THR 74 3.551 2.383 -4.153 495 HG1 THR 74 HG1 THR 74 4.516 1.791 -2.230 496 HG21 THR 74 HG21 THR 74 1.139 2.769 -4.278 497 HG22 THR 74 HG22 THR 74 1.893 3.850 -3.104 498 HG23 THR 74 HG23 THR 74 0.992 2.438 -2.551 499 H GLY 75 HN GLY 75 0.178 0.023 -4.175 500 HA2 GLY 75 HA2 GLY 75 0.544 0.205 -7.102 501 HA3 GLY 75 HA1 GLY 75 -0.545 -0.952 -6.339 502 H SER 76 HN SER 76 -1.411 0.885 -8.272 503 HA SER 76 HA SER 76 -2.529 3.216 -7.112 504 HB2 SER 76 HB2 SER 76 -4.044 3.036 -9.225 505 HB3 SER 76 HB1 SER 76 -2.315 3.310 -9.440 506 HG SER 76 HG SER 76 -3.144 1.637 -10.799 507 H ARG 77 HN ARG 77 -4.349 0.487 -8.464 508 HA ARG 77 HA ARG 77 -5.769 -0.181 -6.140 509 HB2 ARG 77 HB2 ARG 77 -6.654 2.210 -6.759 510 HB3 ARG 77 HB1 ARG 77 -7.556 1.350 -7.999 511 HG2 ARG 77 HG2 ARG 77 -8.816 0.167 -6.436 512 HG3 ARG 77 HG1 ARG 77 -7.681 0.507 -5.127 513 HD2 ARG 77 HD2 ARG 77 -9.718 1.837 -4.898 514 HD3 ARG 77 HD1 ARG 77 -8.312 2.862 -5.180 515 HE ARG 77 HE ARG 77 -10.003 2.118 -7.456 516 HH11 ARG 77 HH11 ARG 77 -8.841 4.568 -5.199 517 HH12 ARG 77 HH12 ARG 77 -9.440 5.933 -6.218 518 HH21 ARG 77 HH21 ARG 77 -10.777 3.822 -8.751 519 HH22 ARG 77 HH22 ARG 77 -10.516 5.521 -8.196 520 H THR 78 HN THR 78 -5.743 0.089 -9.629 521 HA THR 78 HA THR 78 -6.036 -2.685 -10.025 522 HB THR 78 HB THR 78 -8.412 -2.038 -9.410 523 HG1 THR 78 HG1 THR 78 -9.160 -3.528 -10.809 524 HG21 THR 78 HG21 THR 78 -8.350 -0.722 -12.129 525 HG22 THR 78 HG22 THR 78 -8.484 0.122 -10.585 526 HG23 THR 78 HG23 THR 78 -9.776 -0.956 -11.117 527 H CYS 79 HN CYS 79 -6.265 -3.177 -12.414 528 HA CYS 79 HA CYS 79 -5.236 -0.964 -14.052 529 HB2 CYS 79 HB2 CYS 79 -4.249 -3.823 -14.160 530 HB3 CYS 79 HB1 CYS 79 -3.667 -2.483 -15.139 531 H1 GAL 83 H1 GTP 1 6.057 2.143 8.450 532 H2 GAL 83 H2 GTP 1 5.711 4.311 6.326 533 H3 GAL 83 H3 GTP 1 3.715 2.566 7.819 534 H4 GAL 83 H4 GTP 1 3.277 1.689 5.568 535 H5 GAL 83 H5 GTP 1 4.934 0.608 7.013 536 H61 GAL 83 H61 GTP 1 5.203 0.652 4.070 537 H62 GAL 83 H62 GTP 1 5.062 -0.720 5.167 538 HO2 GAL 83 HO2 GTP 1 6.000 4.565 8.906 539 HO3 GAL 83 HO3 GTP 1 3.351 4.911 7.181 540 HO4 GAL 83 HO4 GTP 1 4.192 3.819 4.611 541 HO6 GAL 83 HO6 GTP 1 7.164 0.153 3.861 542 H1 NAG 84 H1 GCP 2 9.908 3.018 4.454 543 H2 NAG 84 H2 GCP 2 10.289 3.006 7.502 544 H3 NAG 84 H3 GCP 2 7.874 3.465 5.702 545 H4 NAG 84 H4 GCP 2 9.468 5.275 7.582 546 H5 NAG 84 H5 GCP 2 9.070 5.221 4.552 547 H61 NAG 84 H61 GCP 2 10.291 7.239 6.410 548 H62 NAG 84 H62 GCP 2 9.346 7.445 4.932 549 H81 NAG 84 HC23 GCP 2 10.026 -1.522 7.121 550 H82 NAG 84 HC21 GCP 2 8.572 -1.193 8.062 551 H83 NAG 84 HC22 GCP 2 8.573 -0.920 6.321 552 HN2 NAG 84 HN2 GCP 2 8.852 1.104 5.690 553 HO1 NAG 84 HO1 GCP 2 11.516 1.547 5.360 554 HO4 NAG 84 HO4 GCP 2 7.263 5.776 7.570 555 HO6 NAG 84 HO6 GCP 2 11.853 6.156 4.780 Start of MODEL 9 1 H CYS 10 HT1 CYS 10 0.010 -3.783 -14.463 2 HA CYS 10 HA CYS 10 -0.803 -2.759 -12.533 3 HB2 CYS 10 HB2 CYS 10 -1.790 -5.518 -11.789 4 HB3 CYS 10 HB1 CYS 10 -1.804 -4.133 -10.702 5 H VAL 11 HN VAL 11 1.568 -4.495 -13.512 6 HA VAL 11 HA VAL 11 2.806 -5.368 -11.061 7 HB VAL 11 HB VAL 11 4.193 -4.937 -13.707 8 HG11 VAL 11 HG11 VAL 11 4.769 -6.761 -11.372 9 HG12 VAL 11 HG12 VAL 11 5.692 -5.336 -11.854 10 HG13 VAL 11 HG13 VAL 11 5.655 -6.759 -12.897 11 HG21 VAL 11 HG21 VAL 11 2.173 -6.317 -14.038 12 HG22 VAL 11 HG22 VAL 11 2.767 -7.437 -12.812 13 HG23 VAL 11 HG23 VAL 11 3.666 -7.215 -14.313 14 H HIS 12 HN HIS 12 2.899 -3.526 -9.757 15 HA HIS 12 HA HIS 12 4.211 -1.139 -10.747 16 HB2 HIS 12 HB2 HIS 12 2.938 -1.866 -8.117 17 HB3 HIS 12 HB1 HIS 12 3.894 -0.401 -8.295 18 HD1 HIS 12 HD1 HIS 12 2.745 1.595 -9.300 19 HD2 HIS 12 HD2 HIS 12 0.569 -1.913 -9.758 20 HE1 HIS 12 HE1 HIS 12 0.501 2.301 -10.194 21 HE2 HIS 12 HE2 HIS 12 -0.870 0.181 -10.229 22 H THR 13 HN THR 13 4.758 -2.710 -7.635 23 HA THR 13 HA THR 13 6.638 -3.102 -6.436 24 HB THR 13 HB THR 13 8.111 -3.767 -8.963 25 HG1 THR 13 HG1 THR 13 6.698 -5.258 -9.480 26 HG21 THR 13 HG21 THR 13 8.894 -5.656 -7.599 27 HG22 THR 13 HG22 THR 13 7.877 -5.110 -6.266 28 HG23 THR 13 HG23 THR 13 9.226 -4.113 -6.811 29 H GLY 14 HN GLY 14 9.274 -2.703 -8.330 30 HA2 GLY 14 HA2 GLY 14 10.772 -1.007 -8.723 31 HA3 GLY 14 HA1 GLY 14 9.458 0.138 -8.502 32 H ASN 15 HN ASN 15 9.381 -1.699 -5.836 33 HA ASN 15 HA ASN 15 9.905 -1.369 -3.664 34 HB2 ASN 15 HB2 ASN 15 12.552 -0.612 -4.910 35 HB3 ASN 15 HB1 ASN 15 12.307 -0.747 -3.171 36 HD21 ASN 15 HD21 ASN 15 10.445 -2.979 -3.416 37 HD22 ASN 15 HD22 ASN 15 11.399 -4.365 -3.815 38 H ILE 16 HN ILE 16 8.350 0.514 -4.570 39 HA ILE 16 HA ILE 16 9.449 3.051 -3.558 40 HB ILE 16 HB ILE 16 7.025 2.793 -5.341 41 HG12 ILE 16 HG12 ILE 16 9.779 3.620 -6.260 42 HG13 ILE 16 HG11 ILE 16 9.199 1.963 -6.400 43 HG21 ILE 16 HG21 ILE 16 7.363 5.183 -5.708 44 HG22 ILE 16 HG22 ILE 16 8.794 5.151 -4.681 45 HG23 ILE 16 HG23 ILE 16 7.206 4.840 -3.985 46 HD11 ILE 16 HD11 ILE 16 7.354 2.726 -7.797 47 HD12 ILE 16 HD12 ILE 16 8.918 3.171 -8.482 48 HD13 ILE 16 HD13 ILE 16 7.937 4.386 -7.660 49 H GLY 17 HN GLY 17 8.671 3.643 -1.643 50 HA2 GLY 17 HA2 GLY 17 6.204 2.372 -0.679 51 HA3 GLY 17 HA1 GLY 17 7.437 3.117 0.331 52 H SER 18 HN SER 18 4.862 3.763 0.784 53 HA SER 18 HA SER 18 4.648 6.475 -0.333 54 HB2 SER 18 HB2 SER 18 2.842 4.792 -1.017 55 HB3 SER 18 HB1 SER 18 2.298 4.859 0.659 56 HG SER 18 HG SER 18 2.664 7.217 -0.844 57 H LYS 19 HN LYS 19 4.731 8.075 1.096 58 HA LYS 19 HA LYS 19 4.833 7.426 3.938 59 HB2 LYS 19 HB2 LYS 19 6.102 9.345 2.251 60 HB3 LYS 19 HB1 LYS 19 5.180 10.222 3.464 61 HG2 LYS 19 HG2 LYS 19 7.060 7.996 4.187 62 HG3 LYS 19 HG1 LYS 19 7.598 9.663 4.002 63 HD2 LYS 19 HD2 LYS 19 5.283 9.027 5.787 64 HD3 LYS 19 HD1 LYS 19 6.932 8.774 6.357 65 HE2 LYS 19 HE2 LYS 19 6.680 10.920 7.046 66 HE3 LYS 19 HE1 LYS 19 7.197 11.252 5.394 67 HZ1 LYS 19 HZ1 LYS 19 5.141 12.445 6.278 68 HZ2 LYS 19 HZ2 LYS 19 4.335 10.970 6.067 69 HZ3 LYS 19 HZ3 LYS 19 5.038 11.748 4.737 70 H ALA 20 HN ALA 20 2.316 7.447 2.378 71 HA ALA 20 HA ALA 20 0.836 9.726 3.401 72 HB1 ALA 20 HB1 ALA 20 -1.066 8.756 2.190 73 HB2 ALA 20 HB2 ALA 20 -0.084 7.348 1.785 74 HB3 ALA 20 HB3 ALA 20 0.347 8.938 1.151 75 H GLN 21 HN GLN 21 -1.287 9.281 4.523 76 HA GLN 21 HA GLN 21 -0.766 7.520 6.767 77 HB2 GLN 21 HB2 GLN 21 -1.607 9.816 7.132 78 HB3 GLN 21 HB1 GLN 21 -3.084 9.400 6.275 79 HG2 GLN 21 HG2 GLN 21 -3.419 7.588 8.014 80 HG3 GLN 21 HG1 GLN 21 -2.114 8.356 8.919 81 HE21 GLN 21 HE21 GLN 21 -2.470 10.342 9.888 82 HE22 GLN 21 HE22 GLN 21 -4.053 11.011 10.071 83 H THR 22 HN THR 22 -1.903 5.746 7.325 84 HA THR 22 HA THR 22 -3.335 4.360 5.279 85 HB THR 22 HB THR 22 -3.674 3.006 7.714 86 HG1 THR 22 HG1 THR 22 -1.852 3.298 8.825 87 HG21 THR 22 HG21 THR 22 -3.113 2.032 5.512 88 HG22 THR 22 HG22 THR 22 -2.051 1.450 6.795 89 HG23 THR 22 HG23 THR 22 -1.477 2.677 5.666 90 H ILE 23 HN ILE 23 -5.494 3.543 5.457 91 HA ILE 23 HA ILE 23 -7.341 5.442 6.601 92 HB ILE 23 HB ILE 23 -8.095 2.811 5.335 93 HG12 ILE 23 HG12 ILE 23 -7.719 5.401 3.827 94 HG13 ILE 23 HG11 ILE 23 -6.463 4.173 3.921 95 HG21 ILE 23 HG21 ILE 23 -10.105 4.101 4.673 96 HG22 ILE 23 HG22 ILE 23 -9.478 5.481 5.572 97 HG23 ILE 23 HG23 ILE 23 -9.895 3.993 6.420 98 HD11 ILE 23 HD11 ILE 23 -7.985 2.561 2.879 99 HD12 ILE 23 HD12 ILE 23 -7.697 3.971 1.860 100 HD13 ILE 23 HD13 ILE 23 -9.211 3.821 2.752 101 H GLY 24 HN GLY 24 -6.275 2.167 7.205 102 HA2 GLY 24 HA2 GLY 24 -7.567 2.259 9.835 103 HA3 GLY 24 HA1 GLY 24 -7.848 0.865 8.798 104 H GLU 25 HN GLU 25 -6.879 -0.429 10.486 105 HA GLU 25 HA GLU 25 -4.133 -0.014 11.196 106 HB2 GLU 25 HB2 GLU 25 -5.343 -2.706 11.529 107 HB3 GLU 25 HB1 GLU 25 -4.378 -1.761 12.654 108 HG2 GLU 25 HG2 GLU 25 -6.323 -1.543 13.739 109 HG3 GLU 25 HG1 GLU 25 -6.615 -0.266 12.559 110 H VAL 26 HN VAL 26 -2.441 -1.618 10.795 111 HA VAL 26 HA VAL 26 -2.331 -2.266 7.984 112 HB VAL 26 HB VAL 26 -0.257 -2.918 10.075 113 HG11 VAL 26 HG11 VAL 26 -0.024 -3.997 7.876 114 HG12 VAL 26 HG12 VAL 26 1.288 -2.865 8.212 115 HG13 VAL 26 HG13 VAL 26 -0.015 -2.405 7.114 116 HG21 VAL 26 HG21 VAL 26 -0.548 -0.365 8.494 117 HG22 VAL 26 HG22 VAL 26 0.806 -0.779 9.543 118 HG23 VAL 26 HG23 VAL 26 -0.801 -0.540 10.228 119 H LYS 27 HN LYS 27 -3.535 -3.988 7.460 120 HA LYS 27 HA LYS 27 -3.429 -6.373 9.150 121 HB2 LYS 27 HB2 LYS 27 -5.344 -5.374 7.079 122 HB3 LYS 27 HB1 LYS 27 -5.251 -7.101 7.391 123 HG2 LYS 27 HG2 LYS 27 -6.925 -6.504 8.826 124 HG3 LYS 27 HG1 LYS 27 -5.526 -6.351 9.889 125 HD2 LYS 27 HD2 LYS 27 -6.693 -4.387 10.284 126 HD3 LYS 27 HD1 LYS 27 -5.491 -3.891 9.094 127 HE2 LYS 27 HE2 LYS 27 -7.162 -4.167 7.316 128 HE3 LYS 27 HE1 LYS 27 -8.357 -4.635 8.528 129 HZ1 LYS 27 HZ1 LYS 27 -8.645 -2.340 7.993 130 HZ2 LYS 27 HZ2 LYS 27 -7.013 -1.999 8.281 131 HZ3 LYS 27 HZ3 LYS 27 -8.029 -2.432 9.568 132 H ARG 28 HN ARG 28 -3.129 -8.453 8.177 133 HA ARG 28 HA ARG 28 -1.020 -8.407 6.202 134 HB2 ARG 28 HB2 ARG 28 -2.311 -10.751 7.614 135 HB3 ARG 28 HB1 ARG 28 -0.858 -10.818 6.629 136 HG2 ARG 28 HG2 ARG 28 -0.128 -8.932 8.395 137 HG3 ARG 28 HG1 ARG 28 -1.229 -9.878 9.392 138 HD2 ARG 28 HD2 ARG 28 0.022 -11.898 8.897 139 HD3 ARG 28 HD1 ARG 28 1.091 -10.993 7.827 140 HE ARG 28 HE ARG 28 0.949 -10.143 10.611 141 HH11 ARG 28 HH11 ARG 28 2.665 -11.872 8.075 142 HH12 ARG 28 HH12 ARG 28 4.228 -11.853 8.972 143 HH21 ARG 28 HH21 ARG 28 2.918 -10.109 11.783 144 HH22 ARG 28 HH22 ARG 28 4.363 -10.905 11.048 145 H ALA 29 HN ALA 29 -1.146 -9.127 4.126 146 HA ALA 29 HA ALA 29 -3.811 -9.988 3.199 147 HB1 ALA 29 HB1 ALA 29 -3.360 -7.696 2.493 148 HB2 ALA 29 HB2 ALA 29 -3.405 -8.786 1.109 149 HB3 ALA 29 HB3 ALA 29 -1.855 -8.218 1.732 150 H SER 30 HN SER 30 -3.838 -11.402 1.373 151 HA SER 30 HA SER 30 -1.972 -13.479 1.487 152 HB2 SER 30 HB2 SER 30 -4.199 -13.903 0.667 153 HB3 SER 30 HB1 SER 30 -3.992 -12.739 -0.639 154 HG SER 30 HG SER 30 -2.642 -15.218 -0.320 155 H SER 31 HN SER 31 -2.283 -10.770 -0.766 156 HA SER 31 HA SER 31 0.488 -10.672 -1.306 157 HB2 SER 31 HB2 SER 31 -0.402 -12.711 -2.684 158 HB3 SER 31 HB1 SER 31 -1.094 -11.478 -3.740 159 HG SER 31 HG SER 31 1.053 -12.200 -4.336 160 H LEU 32 HN LEU 32 0.433 -9.419 -3.797 161 HA LEU 32 HA LEU 32 -0.398 -6.817 -3.120 162 HB2 LEU 32 HB2 LEU 32 1.388 -7.418 -4.772 163 HB3 LEU 32 HB1 LEU 32 0.125 -7.905 -5.887 164 HG LEU 32 HG LEU 32 -0.755 -5.519 -5.713 165 HD11 LEU 32 HD11 LEU 32 0.899 -3.828 -5.045 166 HD12 LEU 32 HD12 LEU 32 1.960 -5.114 -4.477 167 HD13 LEU 32 HD13 LEU 32 0.402 -4.853 -3.699 168 HD21 LEU 32 HD21 LEU 32 0.435 -6.368 -7.670 169 HD22 LEU 32 HD22 LEU 32 1.977 -5.969 -6.912 170 HD23 LEU 32 HD23 LEU 32 0.852 -4.684 -7.351 171 H SER 33 HN SER 33 -1.848 -9.316 -5.155 172 HA SER 33 HA SER 33 -4.003 -7.885 -6.196 173 HB2 SER 33 HB2 SER 33 -5.078 -10.258 -6.187 174 HB3 SER 33 HB1 SER 33 -3.618 -9.995 -7.143 175 HG SER 33 HG SER 33 -3.818 -11.884 -5.539 176 H GLU 34 HN GLU 34 -3.665 -9.685 -3.190 177 HA GLU 34 HA GLU 34 -6.345 -9.316 -2.325 178 HB2 GLU 34 HB2 GLU 34 -4.590 -11.064 -1.587 179 HB3 GLU 34 HB1 GLU 34 -4.030 -9.817 -0.482 180 HG2 GLU 34 HG2 GLU 34 -5.622 -11.437 0.514 181 HG3 GLU 34 HG1 GLU 34 -6.133 -9.752 0.632 182 H CYS 35 HN CYS 35 -3.352 -7.530 -1.911 183 HA CYS 35 HA CYS 35 -4.217 -5.806 0.145 184 HB2 CYS 35 HB2 CYS 35 -1.831 -6.156 -0.754 185 HB3 CYS 35 HB1 CYS 35 -2.268 -5.015 -2.020 186 H ARG 36 HN ARG 36 -4.469 -5.678 -3.371 187 HA ARG 36 HA ARG 36 -5.582 -3.076 -3.514 188 HB2 ARG 36 HB2 ARG 36 -4.588 -4.257 -5.462 189 HB3 ARG 36 HB1 ARG 36 -5.946 -5.374 -5.450 190 HG2 ARG 36 HG2 ARG 36 -7.462 -3.424 -5.800 191 HG3 ARG 36 HG1 ARG 36 -6.028 -2.418 -6.003 192 HD2 ARG 36 HD2 ARG 36 -6.838 -4.775 -7.697 193 HD3 ARG 36 HD1 ARG 36 -6.881 -3.080 -8.165 194 HE ARG 36 HE ARG 36 -4.455 -3.081 -8.081 195 HH11 ARG 36 HH11 ARG 36 -6.064 -6.213 -8.109 196 HH12 ARG 36 HH12 ARG 36 -4.612 -7.071 -8.739 197 HH21 ARG 36 HH21 ARG 36 -2.610 -4.114 -8.844 198 HH22 ARG 36 HH22 ARG 36 -2.668 -5.900 -9.151 199 H ALA 37 HN ALA 37 -7.009 -6.318 -3.403 200 HA ALA 37 HA ALA 37 -9.703 -5.521 -3.608 201 HB1 ALA 37 HB1 ALA 37 -8.577 -7.966 -2.242 202 HB2 ALA 37 HB2 ALA 37 -8.946 -7.829 -3.962 203 HB3 ALA 37 HB3 ALA 37 -10.247 -7.740 -2.773 204 H ARG 38 HN ARG 38 -7.539 -5.891 -0.860 205 HA ARG 38 HA ARG 38 -9.494 -5.510 1.159 206 HB2 ARG 38 HB2 ARG 38 -6.635 -5.852 0.993 207 HB3 ARG 38 HB1 ARG 38 -7.020 -4.546 2.106 208 HG2 ARG 38 HG2 ARG 38 -6.884 -6.544 3.369 209 HG3 ARG 38 HG1 ARG 38 -8.589 -6.106 3.265 210 HD2 ARG 38 HD2 ARG 38 -8.913 -7.745 1.486 211 HD3 ARG 38 HD1 ARG 38 -7.198 -8.157 1.539 212 HE ARG 38 HE ARG 38 -8.037 -8.561 4.087 213 HH11 ARG 38 HH11 ARG 38 -9.020 -9.778 0.923 214 HH12 ARG 38 HH12 ARG 38 -9.715 -11.297 1.615 215 HH21 ARG 38 HH21 ARG 38 -8.885 -10.493 4.973 216 HH22 ARG 38 HH22 ARG 38 -9.633 -11.694 3.855 217 H CYS 39 HN CYS 39 -7.410 -3.357 -0.670 218 HA CYS 39 HA CYS 39 -8.098 -1.015 0.817 219 HB2 CYS 39 HB2 CYS 39 -6.002 -1.519 -0.662 220 HB3 CYS 39 HB1 CYS 39 -7.017 -0.938 -1.978 221 H GLN 40 HN GLN 40 -9.250 -2.537 -2.149 222 HA GLN 40 HA GLN 40 -10.831 -0.399 -3.079 223 HB2 GLN 40 HB2 GLN 40 -11.513 -1.807 -4.736 224 HB3 GLN 40 HB1 GLN 40 -10.123 -2.721 -4.176 225 HG2 GLN 40 HG2 GLN 40 -11.584 -4.128 -2.827 226 HG3 GLN 40 HG1 GLN 40 -12.981 -3.200 -3.372 227 HE21 GLN 40 HE21 GLN 40 -12.463 -6.016 -3.668 228 HE22 GLN 40 HE22 GLN 40 -12.478 -6.345 -5.368 229 H ALA 41 HN ALA 41 -11.288 -2.511 -0.435 230 HA ALA 41 HA ALA 41 -14.115 -2.526 -0.309 231 HB1 ALA 41 HB1 ALA 41 -13.801 -3.156 2.047 232 HB2 ALA 41 HB2 ALA 41 -12.083 -2.778 1.910 233 HB3 ALA 41 HB3 ALA 41 -12.774 -4.103 0.970 234 H GLU 42 HN GLU 42 -11.737 -0.157 0.338 235 HA GLU 42 HA GLU 42 -13.615 1.504 1.851 236 HB2 GLU 42 HB2 GLU 42 -10.758 1.151 1.879 237 HB3 GLU 42 HB1 GLU 42 -11.149 2.835 1.560 238 HG2 GLU 42 HG2 GLU 42 -12.345 1.295 3.839 239 HG3 GLU 42 HG1 GLU 42 -10.827 2.176 3.973 240 H LYS 43 HN LYS 43 -13.625 3.838 1.256 241 HA LYS 43 HA LYS 43 -13.764 4.071 -1.672 242 HB2 LYS 43 HB2 LYS 43 -15.660 4.636 0.236 243 HB3 LYS 43 HB1 LYS 43 -14.956 6.219 -0.063 244 HG2 LYS 43 HG2 LYS 43 -15.926 4.444 -2.283 245 HG3 LYS 43 HG1 LYS 43 -16.974 5.592 -1.449 246 HD2 LYS 43 HD2 LYS 43 -15.647 7.435 -2.158 247 HD3 LYS 43 HD1 LYS 43 -14.378 6.368 -2.757 248 HE2 LYS 43 HE2 LYS 43 -15.933 5.498 -4.447 249 HE3 LYS 43 HE1 LYS 43 -17.172 6.604 -3.859 250 HZ1 LYS 43 HZ1 LYS 43 -15.770 8.461 -4.476 251 HZ2 LYS 43 HZ2 LYS 43 -16.044 7.469 -5.815 252 HZ3 LYS 43 HZ3 LYS 43 -14.558 7.410 -5.009 253 H GLU 44 HN GLU 44 -12.287 5.331 1.196 254 HA GLU 44 HA GLU 44 -11.239 7.711 -0.040 255 HB2 GLU 44 HB2 GLU 44 -10.460 6.328 2.531 256 HB3 GLU 44 HB1 GLU 44 -9.917 7.924 2.032 257 HG2 GLU 44 HG2 GLU 44 -12.470 8.440 1.910 258 HG3 GLU 44 HG1 GLU 44 -12.601 7.046 2.984 259 H CYS 45 HN CYS 45 -10.408 4.442 -0.041 260 HA CYS 45 HA CYS 45 -7.613 4.524 -0.160 261 HB2 CYS 45 HB2 CYS 45 -8.637 2.398 0.111 262 HB3 CYS 45 HB1 CYS 45 -9.618 2.607 -1.337 263 H SER 46 HN SER 46 -6.377 5.521 -1.541 264 HA SER 46 HA SER 46 -7.229 5.701 -4.354 265 HB2 SER 46 HB2 SER 46 -5.480 7.834 -3.887 266 HB3 SER 46 HB1 SER 46 -7.234 7.936 -4.060 267 HG SER 46 HG SER 46 -7.367 7.574 -1.766 268 H HIS 47 HN HIS 47 -4.886 4.792 -2.080 269 HA HIS 47 HA HIS 47 -3.185 3.619 -4.050 270 HB2 HIS 47 HB2 HIS 47 -1.121 4.890 -3.031 271 HB3 HIS 47 HB1 HIS 47 -2.047 5.635 -4.329 272 HD1 HIS 47 HD1 HIS 47 -3.060 7.865 -3.869 273 HD2 HIS 47 HD2 HIS 47 -1.738 6.003 -0.401 274 HE1 HIS 47 HE1 HIS 47 -3.303 9.582 -2.052 275 HE2 HIS 47 HE2 HIS 47 -2.684 8.370 0.068 276 H TYR 48 HN TYR 48 -2.207 1.859 -3.169 277 HA TYR 48 HA TYR 48 -2.169 1.707 -0.225 278 HB2 TYR 48 HB2 TYR 48 -2.580 -0.727 -0.425 279 HB3 TYR 48 HB1 TYR 48 -3.909 0.230 -1.066 280 HD1 TYR 48 HD1 TYR 48 -1.108 -1.989 -1.942 281 HD2 TYR 48 HD2 TYR 48 -4.464 0.177 -3.404 282 HE1 TYR 48 HE1 TYR 48 -0.982 -3.235 -4.060 283 HE2 TYR 48 HE2 TYR 48 -4.345 -1.059 -5.522 284 HH TYR 48 HH TYR 48 -2.653 -2.300 -6.853 285 H THR 49 HN THR 49 -0.493 0.437 0.708 286 HA THR 49 HA THR 49 1.821 0.068 -1.081 287 HB THR 49 HB THR 49 2.164 0.671 1.841 288 HG1 THR 49 HG1 THR 49 1.528 2.461 -0.246 289 HG21 THR 49 HG21 THR 49 4.122 -0.088 0.646 290 HG22 THR 49 HG22 THR 49 4.301 1.629 1.012 291 HG23 THR 49 HG23 THR 49 3.858 1.117 -0.616 292 H TYR 50 HN TYR 50 2.091 -2.075 -1.334 293 HA TYR 50 HA TYR 50 1.475 -3.835 0.922 294 HB2 TYR 50 HB2 TYR 50 0.517 -4.487 -1.234 295 HB3 TYR 50 HB1 TYR 50 2.117 -4.484 -1.969 296 HD1 TYR 50 HD1 TYR 50 0.246 -6.093 0.841 297 HD2 TYR 50 HD2 TYR 50 3.266 -6.474 -2.131 298 HE1 TYR 50 HE1 TYR 50 0.530 -8.462 1.444 299 HE2 TYR 50 HE2 TYR 50 3.561 -8.839 -1.540 300 HH TYR 50 HH TYR 50 1.410 -10.480 0.666 301 H ASN 51 HN ASN 51 3.081 -4.188 2.284 302 HA ASN 51 HA ASN 51 5.831 -3.904 1.413 303 HB2 ASN 51 HB2 ASN 51 5.010 -3.041 3.626 304 HB3 ASN 51 HB1 ASN 51 4.805 -4.712 4.142 305 HD21 ASN 51 HD21 ASN 51 7.128 -2.285 3.138 306 HD22 ASN 51 HD22 ASN 51 8.504 -3.048 3.878 307 H VAL 52 HN VAL 52 6.353 -5.575 0.115 308 HA VAL 52 HA VAL 52 5.531 -8.259 0.528 309 HB VAL 52 HB VAL 52 6.230 -7.201 -1.664 310 HG11 VAL 52 HG11 VAL 52 9.011 -7.860 -0.706 311 HG12 VAL 52 HG12 VAL 52 8.347 -6.229 -0.821 312 HG13 VAL 52 HG13 VAL 52 8.554 -7.201 -2.279 313 HG21 VAL 52 HG21 VAL 52 7.466 -9.848 -0.921 314 HG22 VAL 52 HG22 VAL 52 7.143 -9.287 -2.561 315 HG23 VAL 52 HG23 VAL 52 5.806 -9.583 -1.450 316 H LYS 53 HN LYS 53 7.818 -6.402 2.119 317 HA LYS 53 HA LYS 53 9.739 -8.476 2.617 318 HB2 LYS 53 HB2 LYS 53 9.673 -5.690 2.921 319 HB3 LYS 53 HB1 LYS 53 9.805 -6.331 4.555 320 HG2 LYS 53 HG2 LYS 53 11.620 -7.154 2.301 321 HG3 LYS 53 HG1 LYS 53 11.980 -5.836 3.417 322 HD2 LYS 53 HD2 LYS 53 12.329 -7.243 5.186 323 HD3 LYS 53 HD1 LYS 53 11.227 -8.470 4.564 324 HE2 LYS 53 HE2 LYS 53 13.919 -7.848 3.366 325 HE3 LYS 53 HE1 LYS 53 13.635 -9.127 4.542 326 HZ1 LYS 53 HZ1 LYS 53 11.981 -10.052 2.945 327 HZ2 LYS 53 HZ2 LYS 53 13.582 -10.096 2.400 328 HZ3 LYS 53 HZ3 LYS 53 12.521 -8.922 1.805 329 H SER 54 HN SER 54 6.659 -7.832 3.782 330 HA SER 54 HA SER 54 7.088 -9.681 6.009 331 HB2 SER 54 HB2 SER 54 5.569 -8.196 7.428 332 HB3 SER 54 HB1 SER 54 7.211 -7.610 7.159 333 HG SER 54 HG SER 54 6.468 -6.114 5.744 334 H GLY 55 HN GLY 55 4.860 -8.033 3.843 335 HA2 GLY 55 HA2 GLY 55 3.152 -9.288 2.703 336 HA3 GLY 55 HA1 GLY 55 3.011 -10.312 4.127 337 H LEU 56 HN LEU 56 3.404 -7.035 4.806 338 HA LEU 56 HA LEU 56 0.707 -6.856 5.834 339 HB2 LEU 56 HB2 LEU 56 3.007 -4.901 5.945 340 HB3 LEU 56 HB1 LEU 56 1.479 -4.707 6.780 341 HG LEU 56 HG LEU 56 3.411 -6.969 7.280 342 HD11 LEU 56 HD11 LEU 56 2.946 -4.445 8.858 343 HD12 LEU 56 HD12 LEU 56 4.394 -4.838 7.929 344 HD13 LEU 56 HD13 LEU 56 3.968 -5.797 9.349 345 HD21 LEU 56 HD21 LEU 56 2.061 -7.402 9.247 346 HD22 LEU 56 HD22 LEU 56 1.061 -7.477 7.796 347 HD23 LEU 56 HD23 LEU 56 0.995 -6.057 8.838 348 H CYS 57 HN CYS 57 -0.891 -5.570 5.098 349 HA CYS 57 HA CYS 57 -0.411 -4.207 2.539 350 HB2 CYS 57 HB2 CYS 57 -2.113 -5.991 2.493 351 HB3 CYS 57 HB1 CYS 57 -3.007 -5.178 3.770 352 H TYR 58 HN TYR 58 -0.497 -2.043 2.488 353 HA TYR 58 HA TYR 58 -1.577 -0.664 4.858 354 HB2 TYR 58 HB2 TYR 58 0.572 0.142 2.905 355 HB3 TYR 58 HB1 TYR 58 -0.127 1.252 4.070 356 HD1 TYR 58 HD2 TYR 58 1.970 -1.759 3.670 357 HD2 TYR 58 HD1 TYR 58 0.515 1.195 6.368 358 HE1 TYR 58 HE2 TYR 58 3.658 -2.442 5.323 359 HE2 TYR 58 HE1 TYR 58 2.207 0.524 8.021 360 HH TYR 58 HH TYR 58 4.833 -1.513 7.236 361 HA PRO 59 HA PRO 59 -4.465 0.698 1.527 362 HB2 PRO 59 HB2 PRO 59 -6.372 0.912 3.746 363 HB3 PRO 59 HB1 PRO 59 -6.490 -0.061 2.273 364 HG2 PRO 59 HG2 PRO 59 -6.145 -1.185 4.688 365 HG3 PRO 59 HG1 PRO 59 -5.456 -1.878 3.208 366 HD2 PRO 59 HD2 PRO 59 -4.113 -0.235 5.316 367 HD3 PRO 59 HD1 PRO 59 -3.526 -1.685 4.473 368 H LYS 60 HN LYS 60 -3.699 2.759 1.182 369 HA LYS 60 HA LYS 60 -3.953 4.659 3.402 370 HB2 LYS 60 HB2 LYS 60 -2.018 4.470 1.131 371 HB3 LYS 60 HB1 LYS 60 -2.282 6.006 1.954 372 HG2 LYS 60 HG2 LYS 60 -1.360 5.270 3.919 373 HG3 LYS 60 HG1 LYS 60 -1.718 3.577 3.581 374 HD2 LYS 60 HD2 LYS 60 0.044 3.541 1.885 375 HD3 LYS 60 HD1 LYS 60 0.393 5.242 2.206 376 HE2 LYS 60 HE2 LYS 60 1.086 4.741 4.444 377 HE3 LYS 60 HE1 LYS 60 0.553 3.072 4.290 378 HZ1 LYS 60 HZ1 LYS 60 2.253 2.819 2.511 379 HZ2 LYS 60 HZ2 LYS 60 2.899 3.139 4.047 380 HZ3 LYS 60 HZ3 LYS 60 2.823 4.369 2.896 381 H ARG 61 HN ARG 61 -4.364 6.870 2.908 382 HA ARG 61 HA ARG 61 -6.086 7.318 0.563 383 HB2 ARG 61 HB2 ARG 61 -7.616 8.610 2.082 384 HB3 ARG 61 HB1 ARG 61 -7.595 6.881 2.404 385 HG2 ARG 61 HG2 ARG 61 -5.986 7.299 4.250 386 HG3 ARG 61 HG1 ARG 61 -6.168 9.029 3.964 387 HD2 ARG 61 HD2 ARG 61 -8.572 8.843 4.466 388 HD3 ARG 61 HD1 ARG 61 -8.367 7.118 4.773 389 HE ARG 61 HE ARG 61 -6.574 8.250 6.449 390 HH11 ARG 61 HH11 ARG 61 -10.031 8.709 5.901 391 HH12 ARG 61 HH12 ARG 61 -10.313 9.317 7.577 392 HH21 ARG 61 HH21 ARG 61 -6.891 9.011 8.557 393 HH22 ARG 61 HH22 ARG 61 -8.555 9.487 9.070 394 H GLY 62 HN GLY 62 -6.785 9.946 1.247 395 HA2 GLY 62 HA2 GLY 62 -6.039 12.102 1.208 396 HA3 GLY 62 HA1 GLY 62 -4.643 11.551 2.113 397 H LYS 63 HN LYS 63 -3.185 12.832 1.058 398 HA LYS 63 HA LYS 63 -2.989 12.732 -1.824 399 HB2 LYS 63 HB2 LYS 63 -1.377 14.449 -1.648 400 HB3 LYS 63 HB1 LYS 63 -2.584 14.811 -0.429 401 HG2 LYS 63 HG2 LYS 63 -1.111 13.832 1.287 402 HG3 LYS 63 HG1 LYS 63 0.109 13.559 0.043 403 HD2 LYS 63 HD2 LYS 63 -0.997 16.220 0.936 404 HD3 LYS 63 HD1 LYS 63 0.626 15.593 1.234 405 HE2 LYS 63 HE2 LYS 63 1.050 15.583 -1.183 406 HE3 LYS 63 HE1 LYS 63 -0.559 16.243 -1.464 407 HZ1 LYS 63 HZ1 LYS 63 0.117 18.166 -0.072 408 HZ2 LYS 63 HZ2 LYS 63 0.984 18.022 -1.517 409 HZ3 LYS 63 HZ3 LYS 63 1.693 17.551 -0.057 410 HA PRO 64 HA PRO 64 0.103 9.594 -1.878 411 HB2 PRO 64 HB2 PRO 64 1.134 10.264 -4.409 412 HB3 PRO 64 HB1 PRO 64 -0.222 9.187 -4.073 413 HG2 PRO 64 HG2 PRO 64 -0.366 11.656 -5.385 414 HG3 PRO 64 HG1 PRO 64 -1.730 10.709 -4.761 415 HD2 PRO 64 HD2 PRO 64 -0.363 13.062 -3.565 416 HD3 PRO 64 HD1 PRO 64 -2.063 12.558 -3.460 417 H GLN 65 HN GLN 65 1.828 9.675 -0.651 418 HA GLN 65 HA GLN 65 4.016 11.532 -1.315 419 HB2 GLN 65 HB2 GLN 65 2.867 10.598 1.228 420 HB3 GLN 65 HB1 GLN 65 4.618 10.484 1.160 421 HG2 GLN 65 HG2 GLN 65 4.865 12.795 0.845 422 HG3 GLN 65 HG1 GLN 65 3.157 13.009 0.464 423 HE21 GLN 65 HE21 GLN 65 1.688 13.212 2.103 424 HE22 GLN 65 HE22 GLN 65 2.135 13.348 3.765 425 H PHE 66 HN PHE 66 6.055 10.604 -1.740 426 HA PHE 66 HA PHE 66 6.097 7.655 -1.658 427 HB2 PHE 66 HB2 PHE 66 7.106 9.431 -3.884 428 HB3 PHE 66 HB1 PHE 66 7.381 7.696 -3.787 429 HD1 PHE 66 HD1 PHE 66 5.345 6.168 -3.763 430 HD2 PHE 66 HD2 PHE 66 5.167 10.280 -4.844 431 HE1 PHE 66 HE1 PHE 66 3.215 5.765 -4.925 432 HE2 PHE 66 HE2 PHE 66 3.036 9.885 -6.007 433 HZ PHE 66 HZ PHE 66 2.058 7.624 -6.050 434 H TYR 67 HN TYR 67 8.088 6.636 -1.496 435 HA TYR 67 HA TYR 67 10.527 8.097 -1.139 436 HB2 TYR 67 HB2 TYR 67 10.971 7.572 1.150 437 HB3 TYR 67 HB1 TYR 67 9.386 8.327 1.107 438 HD1 TYR 67 HD2 TYR 67 7.351 6.944 1.472 439 HD2 TYR 67 HD1 TYR 67 11.260 5.320 1.902 440 HE1 TYR 67 HE2 TYR 67 6.422 5.046 2.732 441 HE2 TYR 67 HE1 TYR 67 10.338 3.424 3.165 442 HH TYR 67 HH TYR 67 7.488 2.378 3.103 443 H LYS 68 HN LYS 68 12.359 6.668 -1.115 444 HA LYS 68 HA LYS 68 11.780 4.191 -2.485 445 HB2 LYS 68 HB2 LYS 68 14.326 5.642 -1.800 446 HB3 LYS 68 HB1 LYS 68 14.343 4.019 -2.476 447 HG2 LYS 68 HG2 LYS 68 12.639 5.818 -3.985 448 HG3 LYS 68 HG1 LYS 68 14.306 6.383 -3.892 449 HD2 LYS 68 HD2 LYS 68 14.233 5.032 -5.810 450 HD3 LYS 68 HD1 LYS 68 14.975 4.018 -4.573 451 HE2 LYS 68 HE2 LYS 68 12.688 3.059 -4.146 452 HE3 LYS 68 HE1 LYS 68 12.136 3.932 -5.577 453 HZ1 LYS 68 HZ1 LYS 68 12.660 1.767 -6.289 454 HZ2 LYS 68 HZ2 LYS 68 14.121 1.738 -5.437 455 HZ3 LYS 68 HZ3 LYS 68 13.960 2.725 -6.800 456 H TYR 69 HN TYR 69 11.746 2.207 -1.640 457 HA TYR 69 HA TYR 69 13.266 1.562 0.725 458 HB2 TYR 69 HB2 TYR 69 11.210 2.533 1.687 459 HB3 TYR 69 HB1 TYR 69 10.249 1.355 0.803 460 HD1 TYR 69 HD1 TYR 69 12.742 1.762 3.504 461 HD2 TYR 69 HD2 TYR 69 9.971 -0.866 1.627 462 HE1 TYR 69 HE1 TYR 69 12.985 0.176 5.368 463 HE2 TYR 69 HE2 TYR 69 10.208 -2.455 3.484 464 HH TYR 69 HH TYR 69 11.930 -1.648 6.394 465 H LEU 70 HN LEU 70 14.134 -0.331 0.310 466 HA LEU 70 HA LEU 70 13.198 -2.036 -1.765 467 HB2 LEU 70 HB2 LEU 70 15.595 -1.700 -0.705 468 HB3 LEU 70 HB1 LEU 70 15.077 -3.009 0.337 469 HG LEU 70 HG LEU 70 14.469 -3.950 -2.186 470 HD11 LEU 70 HD11 LEU 70 15.690 -2.078 -3.192 471 HD12 LEU 70 HD12 LEU 70 16.467 -3.625 -3.525 472 HD13 LEU 70 HD13 LEU 70 17.135 -2.547 -2.298 473 HD21 LEU 70 HD21 LEU 70 16.942 -4.384 -0.515 474 HD22 LEU 70 HD22 LEU 70 16.404 -5.429 -1.830 475 HD23 LEU 70 HD23 LEU 70 15.415 -5.256 -0.381 476 H GLY 71 HN GLY 71 11.111 -2.674 -1.298 477 HA2 GLY 71 HA2 GLY 71 10.404 -4.998 -0.343 478 HA3 GLY 71 HA1 GLY 71 10.642 -4.161 1.183 479 H ASP 72 HN ASP 72 9.673 -1.643 -0.293 480 HA ASP 72 HA ASP 72 6.860 -2.083 0.327 481 HB2 ASP 72 HB2 ASP 72 8.673 0.205 0.301 482 HB3 ASP 72 HB1 ASP 72 7.120 0.561 -0.441 483 H MET 73 HN MET 73 5.245 -2.108 -1.125 484 HA MET 73 HA MET 73 5.894 -1.471 -3.929 485 HB2 MET 73 HB2 MET 73 4.172 -3.761 -2.953 486 HB3 MET 73 HB1 MET 73 4.448 -3.332 -4.633 487 HG2 MET 73 HG2 MET 73 6.768 -3.913 -4.457 488 HG3 MET 73 HG1 MET 73 6.607 -4.191 -2.724 489 HE1 MET 73 HE1 MET 73 3.979 -5.273 -5.513 490 HE2 MET 73 HE2 MET 73 4.648 -6.841 -5.963 491 HE3 MET 73 HE3 MET 73 5.557 -5.367 -6.292 492 H THR 74 HN THR 74 4.878 0.531 -3.913 493 HA THR 74 HA THR 74 2.171 0.784 -2.937 494 HB THR 74 HB THR 74 3.789 2.798 -4.514 495 HG1 THR 74 HG1 THR 74 4.881 2.419 -2.613 496 HG21 THR 74 HG21 THR 74 2.258 4.432 -3.440 497 HG22 THR 74 HG22 THR 74 1.320 3.085 -2.796 498 HG23 THR 74 HG23 THR 74 1.431 3.329 -4.540 499 H GLY 75 HN GLY 75 0.341 0.613 -4.086 500 HA2 GLY 75 HA2 GLY 75 0.545 0.536 -7.031 501 HA3 GLY 75 HA1 GLY 75 -0.331 -0.715 -6.160 502 H SER 76 HN SER 76 -1.685 0.587 -8.052 503 HA SER 76 HA SER 76 -3.148 2.785 -6.819 504 HB2 SER 76 HB2 SER 76 -3.556 1.614 -9.573 505 HB3 SER 76 HB1 SER 76 -4.014 3.216 -8.999 506 HG SER 76 HG SER 76 -2.125 3.866 -9.609 507 H ARG 77 HN ARG 77 -5.409 2.745 -6.551 508 HA ARG 77 HA ARG 77 -6.483 0.451 -5.403 509 HB2 ARG 77 HB2 ARG 77 -7.237 2.799 -5.020 510 HB3 ARG 77 HB1 ARG 77 -8.028 2.761 -6.589 511 HG2 ARG 77 HG2 ARG 77 -9.307 0.735 -5.693 512 HG3 ARG 77 HG1 ARG 77 -8.727 1.241 -4.103 513 HD2 ARG 77 HD2 ARG 77 -9.688 3.509 -4.585 514 HD3 ARG 77 HD1 ARG 77 -10.426 2.819 -6.027 515 HE ARG 77 HE ARG 77 -11.024 1.801 -3.323 516 HH11 ARG 77 HH11 ARG 77 -12.047 2.960 -6.488 517 HH12 ARG 77 HH12 ARG 77 -13.798 2.700 -6.145 518 HH21 ARG 77 HH21 ARG 77 -13.239 1.454 -2.845 519 HH22 ARG 77 HH22 ARG 77 -14.462 1.850 -4.115 520 H THR 78 HN THR 78 -6.555 1.496 -8.749 521 HA THR 78 HA THR 78 -8.401 -0.709 -9.349 522 HB THR 78 HB THR 78 -9.036 1.611 -10.088 523 HG1 THR 78 HG1 THR 78 -8.784 0.178 -12.460 524 HG21 THR 78 HG21 THR 78 -7.968 2.494 -12.118 525 HG22 THR 78 HG22 THR 78 -6.768 1.205 -12.040 526 HG23 THR 78 HG23 THR 78 -6.841 2.419 -10.764 527 H CYS 79 HN CYS 79 -5.200 -0.337 -9.154 528 HA CYS 79 HA CYS 79 -4.568 -2.572 -10.724 529 HB2 CYS 79 HB2 CYS 79 -4.947 -0.674 -12.483 530 HB3 CYS 79 HB1 CYS 79 -3.378 -0.091 -11.939 531 H1 GAL 83 H1 GTP 1 5.970 2.696 8.402 532 H2 GAL 83 H2 GTP 1 5.557 4.539 5.997 533 H3 GAL 83 H3 GTP 1 3.704 2.681 7.530 534 H4 GAL 83 H4 GTP 1 3.647 1.466 5.398 535 H5 GAL 83 H5 GTP 1 5.275 0.867 7.097 536 H61 GAL 83 H61 GTP 1 7.138 0.623 4.900 537 H62 GAL 83 H62 GTP 1 5.498 0.246 4.373 538 HO2 GAL 83 HO2 GTP 1 5.527 5.097 8.559 539 HO3 GAL 83 HO3 GTP 1 3.047 4.858 6.510 540 HO4 GAL 83 HO4 GTP 1 5.850 2.763 4.320 541 HO6 GAL 83 HO6 GTP 1 6.644 -1.583 5.247 542 H1 NAG 84 H1 GCP 2 10.302 3.449 4.962 543 H2 NAG 84 H2 GCP 2 10.131 3.915 7.982 544 H3 NAG 84 H3 GCP 2 8.044 3.907 5.772 545 H4 NAG 84 H4 GCP 2 9.177 6.058 7.620 546 H5 NAG 84 H5 GCP 2 9.334 5.588 4.597 547 H61 NAG 84 H61 GCP 2 10.060 7.894 6.343 548 H62 NAG 84 H62 GCP 2 9.452 7.856 4.684 549 H81 NAG 84 HC23 GCP 2 8.695 -0.158 8.130 550 H82 NAG 84 HC21 GCP 2 10.031 -0.677 7.100 551 H83 NAG 84 HC22 GCP 2 10.249 -0.588 8.847 552 HN2 NAG 84 HN2 GCP 2 8.670 1.723 6.684 553 HO1 NAG 84 HO1 GCP 2 11.911 2.707 7.039 554 HO4 NAG 84 HO4 GCP 2 7.071 6.507 7.201 555 HO6 NAG 84 HO6 GCP 2 11.991 6.746 5.251 Start of MODEL 10 1 H CYS 10 HT1 CYS 10 0.427 0.362 -15.333 2 HA CYS 10 HA CYS 10 -1.007 2.419 -13.788 3 HB2 CYS 10 HB2 CYS 10 -1.948 0.578 -12.481 4 HB3 CYS 10 HB1 CYS 10 -2.423 0.443 -14.169 5 H VAL 11 HN VAL 11 -0.415 2.400 -11.525 6 HA VAL 11 HA VAL 11 2.443 2.099 -11.221 7 HB VAL 11 HB VAL 11 0.451 2.954 -9.110 8 HG11 VAL 11 HG11 VAL 11 2.647 2.373 -8.246 9 HG12 VAL 11 HG12 VAL 11 2.386 4.117 -8.140 10 HG13 VAL 11 HG13 VAL 11 3.413 3.452 -9.413 11 HG21 VAL 11 HG21 VAL 11 1.954 4.722 -11.036 12 HG22 VAL 11 HG22 VAL 11 0.842 5.240 -9.771 13 HG23 VAL 11 HG23 VAL 11 0.240 4.329 -11.155 14 H HIS 12 HN HIS 12 3.390 0.336 -10.460 15 HA HIS 12 HA HIS 12 2.363 -1.148 -8.260 16 HB2 HIS 12 HB2 HIS 12 1.936 -3.271 -9.325 17 HB3 HIS 12 HB1 HIS 12 0.944 -2.058 -10.123 18 HD1 HIS 12 HD1 HIS 12 3.446 -4.642 -10.781 19 HD2 HIS 12 HD2 HIS 12 1.980 -1.282 -12.739 20 HE1 HIS 12 HE1 HIS 12 4.173 -4.885 -13.174 21 HE2 HIS 12 HE2 HIS 12 3.438 -2.749 -14.291 22 H THR 13 HN THR 13 3.948 -2.313 -7.286 23 HA THR 13 HA THR 13 6.033 -3.018 -6.747 24 HB THR 13 HB THR 13 6.893 -3.436 -9.554 25 HG1 THR 13 HG1 THR 13 5.156 -5.410 -8.866 26 HG21 THR 13 HG21 THR 13 7.342 -5.726 -8.616 27 HG22 THR 13 HG22 THR 13 6.783 -5.123 -7.057 28 HG23 THR 13 HG23 THR 13 8.206 -4.415 -7.818 29 H GLY 14 HN GLY 14 8.510 -2.764 -8.167 30 HA2 GLY 14 HA2 GLY 14 10.063 -1.187 -8.903 31 HA3 GLY 14 HA1 GLY 14 8.818 0.048 -8.820 32 H ASN 15 HN ASN 15 9.316 -2.065 -6.155 33 HA ASN 15 HA ASN 15 9.582 -1.541 -3.950 34 HB2 ASN 15 HB2 ASN 15 11.966 -1.080 -3.405 35 HB3 ASN 15 HB1 ASN 15 11.728 -2.423 -4.508 36 HD21 ASN 15 HD21 ASN 15 13.215 0.580 -3.984 37 HD22 ASN 15 HD22 ASN 15 14.024 0.714 -5.509 38 H ILE 16 HN ILE 16 8.011 0.283 -4.528 39 HA ILE 16 HA ILE 16 9.145 2.809 -3.546 40 HB ILE 16 HB ILE 16 7.269 2.281 -5.793 41 HG12 ILE 16 HG12 ILE 16 9.636 3.068 -6.058 42 HG13 ILE 16 HG11 ILE 16 8.439 4.100 -6.832 43 HG21 ILE 16 HG21 ILE 16 5.751 3.446 -4.357 44 HG22 ILE 16 HG22 ILE 16 6.294 4.566 -5.606 45 HG23 ILE 16 HG23 ILE 16 6.965 4.666 -3.979 46 HD11 ILE 16 HD11 ILE 16 10.025 5.512 -5.790 47 HD12 ILE 16 HD12 ILE 16 9.934 4.613 -4.276 48 HD13 ILE 16 HD13 ILE 16 8.561 5.582 -4.810 49 H GLY 17 HN GLY 17 8.348 3.442 -1.660 50 HA2 GLY 17 HA2 GLY 17 5.859 2.187 -0.701 51 HA3 GLY 17 HA1 GLY 17 7.131 2.837 0.328 52 H SER 18 HN SER 18 4.570 3.610 0.810 53 HA SER 18 HA SER 18 4.586 6.388 -0.160 54 HB2 SER 18 HB2 SER 18 2.193 4.593 0.292 55 HB3 SER 18 HB1 SER 18 2.084 6.334 0.034 56 HG SER 18 HG SER 18 3.247 4.466 -1.765 57 H LYS 19 HN LYS 19 5.230 7.578 1.512 58 HA LYS 19 HA LYS 19 4.655 6.807 4.240 59 HB2 LYS 19 HB2 LYS 19 6.807 7.907 3.443 60 HB3 LYS 19 HB1 LYS 19 5.886 9.394 3.276 61 HG2 LYS 19 HG2 LYS 19 5.260 9.043 5.743 62 HG3 LYS 19 HG1 LYS 19 6.602 7.898 5.769 63 HD2 LYS 19 HD2 LYS 19 7.392 10.049 6.518 64 HD3 LYS 19 HD1 LYS 19 8.093 9.701 4.937 65 HE2 LYS 19 HE2 LYS 19 7.308 12.040 5.160 66 HE3 LYS 19 HE1 LYS 19 6.504 11.167 3.858 67 HZ1 LYS 19 HZ1 LYS 19 5.393 11.722 6.557 68 HZ2 LYS 19 HZ2 LYS 19 4.621 10.799 5.367 69 HZ3 LYS 19 HZ3 LYS 19 4.915 12.442 5.103 70 H ALA 20 HN ALA 20 2.286 7.049 3.080 71 HA ALA 20 HA ALA 20 1.249 9.713 3.768 72 HB1 ALA 20 HB1 ALA 20 -0.697 9.145 2.391 73 HB2 ALA 20 HB2 ALA 20 0.007 7.563 2.053 74 HB3 ALA 20 HB3 ALA 20 0.804 9.024 1.470 75 H GLN 21 HN GLN 21 -1.162 9.520 4.491 76 HA GLN 21 HA GLN 21 -1.147 8.083 6.964 77 HB2 GLN 21 HB2 GLN 21 -2.247 10.385 6.292 78 HB3 GLN 21 HB1 GLN 21 -3.611 9.363 5.872 79 HG2 GLN 21 HG2 GLN 21 -2.728 8.558 8.425 80 HG3 GLN 21 HG1 GLN 21 -2.807 10.319 8.425 81 HE21 GLN 21 HE21 GLN 21 -4.457 8.516 9.890 82 HE22 GLN 21 HE22 GLN 21 -6.087 8.777 9.373 83 H THR 22 HN THR 22 -2.030 6.182 7.446 84 HA THR 22 HA THR 22 -3.241 4.602 5.362 85 HB THR 22 HB THR 22 -3.009 3.822 8.268 86 HG1 THR 22 HG1 THR 22 -0.929 4.123 7.991 87 HG21 THR 22 HG21 THR 22 -2.768 1.567 7.348 88 HG22 THR 22 HG22 THR 22 -2.881 2.213 5.712 89 HG23 THR 22 HG23 THR 22 -4.267 2.312 6.798 90 H ILE 23 HN ILE 23 -5.393 3.953 5.254 91 HA ILE 23 HA ILE 23 -7.305 5.748 6.310 92 HB ILE 23 HB ILE 23 -7.864 3.006 5.171 93 HG12 ILE 23 HG12 ILE 23 -7.773 5.640 3.695 94 HG13 ILE 23 HG11 ILE 23 -6.436 4.496 3.708 95 HG21 ILE 23 HG21 ILE 23 -9.523 5.455 5.678 96 HG22 ILE 23 HG22 ILE 23 -9.839 3.783 6.149 97 HG23 ILE 23 HG23 ILE 23 -9.988 4.270 4.461 98 HD11 ILE 23 HD11 ILE 23 -7.913 2.812 2.691 99 HD12 ILE 23 HD12 ILE 23 -7.716 4.250 1.688 100 HD13 ILE 23 HD13 ILE 23 -9.196 4.018 2.617 101 H GLY 24 HN GLY 24 -6.695 2.317 7.091 102 HA2 GLY 24 HA2 GLY 24 -7.866 2.864 9.732 103 HA3 GLY 24 HA1 GLY 24 -8.382 1.459 8.814 104 H GLU 25 HN GLU 25 -7.743 0.070 10.402 105 HA GLU 25 HA GLU 25 -5.164 -0.007 11.552 106 HB2 GLU 25 HB2 GLU 25 -6.766 -1.068 12.832 107 HB3 GLU 25 HB1 GLU 25 -7.535 -1.820 11.446 108 HG2 GLU 25 HG2 GLU 25 -5.090 -3.018 11.446 109 HG3 GLU 25 HG1 GLU 25 -5.394 -2.792 13.170 110 H VAL 26 HN VAL 26 -3.362 -1.121 11.033 111 HA VAL 26 HA VAL 26 -3.045 -2.006 8.324 112 HB VAL 26 HB VAL 26 -1.074 -2.261 10.602 113 HG11 VAL 26 HG11 VAL 26 -0.568 -3.621 8.624 114 HG12 VAL 26 HG12 VAL 26 0.612 -2.332 8.858 115 HG13 VAL 26 HG13 VAL 26 -0.636 -2.170 7.623 116 HG21 VAL 26 HG21 VAL 26 -1.768 0.057 10.386 117 HG22 VAL 26 HG22 VAL 26 -1.436 0.010 8.654 118 HG23 VAL 26 HG23 VAL 26 -0.113 -0.148 9.810 119 H LYS 27 HN LYS 27 -3.219 -4.041 7.585 120 HA LYS 27 HA LYS 27 -3.230 -6.240 9.543 121 HB2 LYS 27 HB2 LYS 27 -4.861 -6.958 7.329 122 HB3 LYS 27 HB1 LYS 27 -5.337 -6.756 9.010 123 HG2 LYS 27 HG2 LYS 27 -5.621 -4.309 8.536 124 HG3 LYS 27 HG1 LYS 27 -5.377 -4.685 6.826 125 HD2 LYS 27 HD2 LYS 27 -7.327 -6.046 6.768 126 HD3 LYS 27 HD1 LYS 27 -7.480 -6.012 8.527 127 HE2 LYS 27 HE2 LYS 27 -7.825 -3.678 6.647 128 HE3 LYS 27 HE1 LYS 27 -9.102 -4.524 7.517 129 HZ1 LYS 27 HZ1 LYS 27 -7.049 -2.689 8.560 130 HZ2 LYS 27 HZ2 LYS 27 -7.736 -3.852 9.586 131 HZ3 LYS 27 HZ3 LYS 27 -8.721 -2.697 8.832 132 H ARG 28 HN ARG 28 -2.735 -8.353 8.563 133 HA ARG 28 HA ARG 28 -0.621 -8.042 6.587 134 HB2 ARG 28 HB2 ARG 28 -1.240 -9.958 8.712 135 HB3 ARG 28 HB1 ARG 28 -0.716 -10.728 7.220 136 HG2 ARG 28 HG2 ARG 28 1.314 -9.395 7.223 137 HG3 ARG 28 HG1 ARG 28 0.779 -8.569 8.687 138 HD2 ARG 28 HD2 ARG 28 2.393 -10.304 9.217 139 HD3 ARG 28 HD1 ARG 28 0.815 -10.683 9.905 140 HE ARG 28 HE ARG 28 0.778 -12.005 7.552 141 HH11 ARG 28 HH11 ARG 28 3.138 -11.850 10.152 142 HH12 ARG 28 HH12 ARG 28 3.662 -13.562 9.942 143 HH21 ARG 28 HH21 ARG 28 1.412 -14.163 7.226 144 HH22 ARG 28 HH22 ARG 28 2.679 -14.866 8.304 145 H ALA 29 HN ALA 29 -0.481 -9.374 4.722 146 HA ALA 29 HA ALA 29 -3.052 -10.476 3.798 147 HB1 ALA 29 HB1 ALA 29 -1.233 -8.547 2.391 148 HB2 ALA 29 HB2 ALA 29 -2.969 -8.423 2.674 149 HB3 ALA 29 HB3 ALA 29 -2.346 -9.585 1.503 150 H SER 30 HN SER 30 -2.760 -11.974 1.941 151 HA SER 30 HA SER 30 -0.397 -13.612 2.376 152 HB2 SER 30 HB2 SER 30 -2.060 -14.913 0.564 153 HB3 SER 30 HB1 SER 30 -2.000 -15.186 2.305 154 HG SER 30 HG SER 30 -4.011 -14.211 0.883 155 H SER 31 HN SER 31 -1.685 -11.411 0.095 156 HA SER 31 HA SER 31 0.623 -11.627 -1.586 157 HB2 SER 31 HB2 SER 31 -0.758 -12.057 -3.669 158 HB3 SER 31 HB1 SER 31 -0.578 -13.441 -2.591 159 HG SER 31 HG SER 31 -2.689 -13.458 -2.829 160 H LEU 32 HN LEU 32 0.384 -10.101 -3.519 161 HA LEU 32 HA LEU 32 -0.315 -7.531 -2.625 162 HB2 LEU 32 HB2 LEU 32 1.349 -7.956 -4.387 163 HB3 LEU 32 HB1 LEU 32 0.085 -8.540 -5.451 164 HG LEU 32 HG LEU 32 -0.944 -6.213 -5.267 165 HD11 LEU 32 HD11 LEU 32 1.769 -5.658 -4.084 166 HD12 LEU 32 HD12 LEU 32 0.199 -5.383 -3.336 167 HD13 LEU 32 HD13 LEU 32 0.693 -4.417 -4.726 168 HD21 LEU 32 HD21 LEU 32 0.560 -5.296 -6.966 169 HD22 LEU 32 HD22 LEU 32 0.211 -7.000 -7.257 170 HD23 LEU 32 HD23 LEU 32 1.759 -6.524 -6.563 171 H SER 33 HN SER 33 -1.978 -9.883 -4.644 172 HA SER 33 HA SER 33 -4.160 -8.320 -5.441 173 HB2 SER 33 HB2 SER 33 -4.848 -11.107 -5.008 174 HB3 SER 33 HB1 SER 33 -4.674 -10.223 -6.526 175 HG SER 33 HG SER 33 -3.143 -12.060 -5.976 176 H GLU 34 HN GLU 34 -3.542 -10.210 -2.542 177 HA GLU 34 HA GLU 34 -6.150 -10.041 -1.445 178 HB2 GLU 34 HB2 GLU 34 -3.811 -11.345 -0.781 179 HB3 GLU 34 HB1 GLU 34 -3.950 -10.142 0.491 180 HG2 GLU 34 HG2 GLU 34 -4.995 -12.108 1.274 181 HG3 GLU 34 HG1 GLU 34 -6.273 -10.954 0.898 182 H CYS 35 HN CYS 35 -3.243 -8.067 -1.196 183 HA CYS 35 HA CYS 35 -4.214 -6.283 0.775 184 HB2 CYS 35 HB2 CYS 35 -1.808 -6.538 0.199 185 HB3 CYS 35 HB1 CYS 35 -2.120 -5.780 -1.358 186 H ARG 36 HN ARG 36 -4.297 -6.295 -2.753 187 HA ARG 36 HA ARG 36 -5.328 -3.720 -3.136 188 HB2 ARG 36 HB2 ARG 36 -4.439 -5.375 -4.885 189 HB3 ARG 36 HB1 ARG 36 -6.050 -6.081 -4.862 190 HG2 ARG 36 HG2 ARG 36 -6.992 -3.897 -5.496 191 HG3 ARG 36 HG1 ARG 36 -5.357 -3.242 -5.585 192 HD2 ARG 36 HD2 ARG 36 -5.553 -3.804 -7.762 193 HD3 ARG 36 HD1 ARG 36 -5.078 -5.395 -7.170 194 HE ARG 36 HE ARG 36 -7.912 -5.010 -7.088 195 HH11 ARG 36 HH11 ARG 36 -5.198 -5.805 -9.179 196 HH12 ARG 36 HH12 ARG 36 -6.217 -6.706 -10.362 197 HH21 ARG 36 HH21 ARG 36 -9.245 -6.134 -8.565 198 HH22 ARG 36 HH22 ARG 36 -8.487 -6.906 -10.007 199 H ALA 37 HN ALA 37 -6.931 -6.821 -2.561 200 HA ALA 37 HA ALA 37 -9.585 -5.943 -2.887 201 HB1 ALA 37 HB1 ALA 37 -8.944 -8.309 -2.842 202 HB2 ALA 37 HB2 ALA 37 -10.216 -7.954 -1.673 203 HB3 ALA 37 HB3 ALA 37 -8.550 -8.165 -1.130 204 H ARG 38 HN ARG 38 -7.453 -6.044 -0.074 205 HA ARG 38 HA ARG 38 -9.332 -5.265 1.866 206 HB2 ARG 38 HB2 ARG 38 -6.392 -5.389 1.663 207 HB3 ARG 38 HB1 ARG 38 -7.005 -4.223 2.824 208 HG2 ARG 38 HG2 ARG 38 -6.565 -6.308 3.928 209 HG3 ARG 38 HG1 ARG 38 -8.305 -6.015 3.899 210 HD2 ARG 38 HD2 ARG 38 -8.629 -7.594 2.158 211 HD3 ARG 38 HD1 ARG 38 -6.894 -7.719 1.859 212 HE ARG 38 HE ARG 38 -7.313 -8.473 4.487 213 HH11 ARG 38 HH11 ARG 38 -8.277 -9.563 1.287 214 HH12 ARG 38 HH12 ARG 38 -8.419 -11.286 1.797 215 HH21 ARG 38 HH21 ARG 38 -7.482 -10.628 5.171 216 HH22 ARG 38 HH22 ARG 38 -7.961 -11.886 3.969 217 H CYS 39 HN CYS 39 -7.272 -3.429 -0.309 218 HA CYS 39 HA CYS 39 -7.971 -0.888 0.819 219 HB2 CYS 39 HB2 CYS 39 -5.841 -1.572 -0.529 220 HB3 CYS 39 HB1 CYS 39 -6.837 -1.221 -1.937 221 H GLN 40 HN GLN 40 -9.021 -2.814 -1.956 222 HA GLN 40 HA GLN 40 -10.687 -0.827 -3.099 223 HB2 GLN 40 HB2 GLN 40 -10.557 -3.814 -3.389 224 HB3 GLN 40 HB1 GLN 40 -11.788 -2.866 -4.211 225 HG2 GLN 40 HG2 GLN 40 -9.945 -1.511 -5.223 226 HG3 GLN 40 HG1 GLN 40 -8.807 -2.673 -4.542 227 HE21 GLN 40 HE21 GLN 40 -11.263 -2.118 -6.915 228 HE22 GLN 40 HE22 GLN 40 -10.978 -3.543 -7.847 229 H ALA 41 HN ALA 41 -11.009 -2.506 -0.243 230 HA ALA 41 HA ALA 41 -13.882 -2.701 -0.217 231 HB1 ALA 41 HB1 ALA 41 -11.886 -2.922 2.042 232 HB2 ALA 41 HB2 ALA 41 -12.521 -4.263 1.086 233 HB3 ALA 41 HB3 ALA 41 -13.599 -3.337 2.129 234 H GLU 42 HN GLU 42 -11.698 -0.220 -0.022 235 HA GLU 42 HA GLU 42 -13.459 1.422 1.666 236 HB2 GLU 42 HB2 GLU 42 -10.624 1.106 1.631 237 HB3 GLU 42 HB1 GLU 42 -11.001 2.754 1.149 238 HG2 GLU 42 HG2 GLU 42 -11.742 1.355 3.698 239 HG3 GLU 42 HG1 GLU 42 -10.739 2.789 3.489 240 H LYS 43 HN LYS 43 -13.337 3.807 1.039 241 HA LYS 43 HA LYS 43 -13.800 3.985 -1.866 242 HB2 LYS 43 HB2 LYS 43 -15.349 5.770 -1.395 243 HB3 LYS 43 HB1 LYS 43 -15.740 4.408 -0.357 244 HG2 LYS 43 HG2 LYS 43 -14.124 5.731 1.300 245 HG3 LYS 43 HG1 LYS 43 -14.706 7.089 0.336 246 HD2 LYS 43 HD2 LYS 43 -16.326 7.043 1.944 247 HD3 LYS 43 HD1 LYS 43 -17.043 5.926 0.781 248 HE2 LYS 43 HE2 LYS 43 -17.215 4.931 2.938 249 HE3 LYS 43 HE1 LYS 43 -15.985 4.052 2.037 250 HZ1 LYS 43 HZ1 LYS 43 -15.233 6.253 3.856 251 HZ2 LYS 43 HZ2 LYS 43 -14.280 4.965 3.300 252 HZ3 LYS 43 HZ3 LYS 43 -15.494 4.692 4.447 253 H GLU 44 HN GLU 44 -11.946 5.208 0.778 254 HA GLU 44 HA GLU 44 -10.961 7.485 -0.755 255 HB2 GLU 44 HB2 GLU 44 -10.386 6.558 2.062 256 HB3 GLU 44 HB1 GLU 44 -9.659 7.978 1.327 257 HG2 GLU 44 HG2 GLU 44 -11.985 8.862 0.991 258 HG3 GLU 44 HG1 GLU 44 -12.552 7.525 1.992 259 H CYS 45 HN CYS 45 -10.374 4.421 -1.057 260 HA CYS 45 HA CYS 45 -7.525 4.299 -0.700 261 HB2 CYS 45 HB2 CYS 45 -8.691 2.242 -0.431 262 HB3 CYS 45 HB1 CYS 45 -9.525 2.432 -1.969 263 H SER 46 HN SER 46 -6.392 5.647 -1.954 264 HA SER 46 HA SER 46 -6.947 5.644 -4.843 265 HB2 SER 46 HB2 SER 46 -5.530 7.755 -4.815 266 HB3 SER 46 HB1 SER 46 -7.075 7.872 -3.970 267 HG SER 46 HG SER 46 -5.537 8.735 -2.628 268 H HIS 47 HN HIS 47 -4.899 4.439 -2.495 269 HA HIS 47 HA HIS 47 -3.103 3.266 -4.344 270 HB2 HIS 47 HB2 HIS 47 -1.018 4.363 -3.522 271 HB3 HIS 47 HB1 HIS 47 -2.064 5.462 -4.416 272 HD1 HIS 47 HD1 HIS 47 -3.475 7.188 -2.906 273 HD2 HIS 47 HD2 HIS 47 -0.403 5.157 -0.972 274 HE1 HIS 47 HE1 HIS 47 -3.042 8.473 -0.796 275 HE2 HIS 47 HE2 HIS 47 -1.336 7.108 0.448 276 H TYR 48 HN TYR 48 -2.180 1.493 -3.428 277 HA TYR 48 HA TYR 48 -2.365 1.269 -0.500 278 HB2 TYR 48 HB2 TYR 48 -2.858 -1.136 -0.766 279 HB3 TYR 48 HB1 TYR 48 -4.101 -0.122 -1.484 280 HD1 TYR 48 HD2 TYR 48 -4.160 0.131 -4.001 281 HD2 TYR 48 HD1 TYR 48 -1.684 -2.731 -2.052 282 HE1 TYR 48 HE2 TYR 48 -3.947 -1.117 -6.107 283 HE2 TYR 48 HE1 TYR 48 -1.470 -3.983 -4.156 284 HH TYR 48 HH TYR 48 -2.261 -2.734 -7.124 285 H THR 49 HN THR 49 -0.597 0.583 0.545 286 HA THR 49 HA THR 49 1.732 -0.103 -1.109 287 HB THR 49 HB THR 49 1.671 1.037 1.692 288 HG1 THR 49 HG1 THR 49 2.429 2.257 -0.782 289 HG21 THR 49 HG21 THR 49 4.087 1.337 1.397 290 HG22 THR 49 HG22 THR 49 3.992 0.559 -0.184 291 HG23 THR 49 HG23 THR 49 3.644 -0.366 1.277 292 H TYR 50 HN TYR 50 2.103 -2.214 -1.168 293 HA TYR 50 HA TYR 50 1.475 -3.814 1.211 294 HB2 TYR 50 HB2 TYR 50 0.412 -4.556 -0.879 295 HB3 TYR 50 HB1 TYR 50 1.993 -4.686 -1.641 296 HD1 TYR 50 HD1 TYR 50 0.600 -5.857 1.634 297 HD2 TYR 50 HD2 TYR 50 2.551 -6.881 -2.003 298 HE1 TYR 50 HE1 TYR 50 0.775 -8.188 2.393 299 HE2 TYR 50 HE2 TYR 50 2.729 -9.217 -1.256 300 HH TYR 50 HH TYR 50 2.730 -10.495 0.810 301 H ASN 51 HN ASN 51 3.131 -4.071 2.520 302 HA ASN 51 HA ASN 51 5.860 -3.982 1.523 303 HB2 ASN 51 HB2 ASN 51 5.302 -2.809 3.618 304 HB3 ASN 51 HB1 ASN 51 4.792 -4.331 4.341 305 HD21 ASN 51 HD21 ASN 51 7.481 -2.414 3.273 306 HD22 ASN 51 HD22 ASN 51 8.707 -3.336 4.087 307 H VAL 52 HN VAL 52 6.457 -5.818 0.517 308 HA VAL 52 HA VAL 52 5.415 -8.385 1.205 309 HB VAL 52 HB VAL 52 7.026 -9.290 -0.413 310 HG11 VAL 52 HG11 VAL 52 4.885 -8.464 -1.191 311 HG12 VAL 52 HG12 VAL 52 6.136 -8.145 -2.392 312 HG13 VAL 52 HG13 VAL 52 5.548 -6.839 -1.360 313 HG21 VAL 52 HG21 VAL 52 8.913 -7.818 -0.003 314 HG22 VAL 52 HG22 VAL 52 8.005 -6.444 -0.630 315 HG23 VAL 52 HG23 VAL 52 8.457 -7.766 -1.706 316 H LYS 53 HN LYS 53 7.992 -6.551 2.466 317 HA LYS 53 HA LYS 53 9.712 -8.678 3.238 318 HB2 LYS 53 HB2 LYS 53 9.397 -5.835 4.179 319 HB3 LYS 53 HB1 LYS 53 10.565 -6.929 4.905 320 HG2 LYS 53 HG2 LYS 53 10.508 -6.382 1.956 321 HG3 LYS 53 HG1 LYS 53 11.411 -5.375 3.086 322 HD2 LYS 53 HD2 LYS 53 12.537 -7.497 3.874 323 HD3 LYS 53 HD1 LYS 53 11.801 -8.299 2.487 324 HE2 LYS 53 HE2 LYS 53 14.056 -7.638 1.935 325 HE3 LYS 53 HE1 LYS 53 12.912 -6.681 0.996 326 HZ1 LYS 53 HZ1 LYS 53 13.394 -4.788 2.173 327 HZ2 LYS 53 HZ2 LYS 53 14.905 -5.541 2.171 328 HZ3 LYS 53 HZ3 LYS 53 13.924 -5.622 3.547 329 H SER 54 HN SER 54 6.919 -7.158 4.707 330 HA SER 54 HA SER 54 7.157 -9.032 6.967 331 HB2 SER 54 HB2 SER 54 5.620 -6.430 6.928 332 HB3 SER 54 HB1 SER 54 5.972 -7.440 8.330 333 HG SER 54 HG SER 54 7.868 -6.037 6.736 334 H GLY 55 HN GLY 55 5.197 -7.940 4.340 335 HA2 GLY 55 HA2 GLY 55 3.406 -9.114 3.403 336 HA3 GLY 55 HA1 GLY 55 3.299 -10.083 4.869 337 H LEU 56 HN LEU 56 3.538 -6.693 5.202 338 HA LEU 56 HA LEU 56 0.846 -6.590 6.303 339 HB2 LEU 56 HB2 LEU 56 3.166 -4.667 6.398 340 HB3 LEU 56 HB1 LEU 56 1.585 -4.297 7.056 341 HG LEU 56 HG LEU 56 3.183 -6.682 7.969 342 HD11 LEU 56 HD11 LEU 56 3.144 -3.900 9.144 343 HD12 LEU 56 HD12 LEU 56 4.517 -4.669 8.346 344 HD13 LEU 56 HD13 LEU 56 3.904 -5.319 9.867 345 HD21 LEU 56 HD21 LEU 56 0.717 -6.565 8.401 346 HD22 LEU 56 HD22 LEU 56 1.016 -5.114 9.354 347 HD23 LEU 56 HD23 LEU 56 1.716 -6.654 9.852 348 H CYS 57 HN CYS 57 -0.791 -5.489 5.452 349 HA CYS 57 HA CYS 57 -0.375 -4.180 2.859 350 HB2 CYS 57 HB2 CYS 57 -2.023 -6.006 2.899 351 HB3 CYS 57 HB1 CYS 57 -2.906 -5.190 4.187 352 H TYR 58 HN TYR 58 -0.560 -2.007 2.707 353 HA TYR 58 HA TYR 58 -1.720 -0.593 5.015 354 HB2 TYR 58 HB2 TYR 58 0.551 0.201 3.200 355 HB3 TYR 58 HB1 TYR 58 -0.216 1.303 4.331 356 HD1 TYR 58 HD2 TYR 58 1.934 -1.661 4.016 357 HD2 TYR 58 HD1 TYR 58 0.206 1.163 6.693 358 HE1 TYR 58 HE2 TYR 58 3.485 -2.390 5.777 359 HE2 TYR 58 HE1 TYR 58 1.763 0.444 8.459 360 HH TYR 58 HH TYR 58 4.387 -1.778 7.800 361 HA PRO 59 HA PRO 59 -4.365 0.763 1.511 362 HB2 PRO 59 HB2 PRO 59 -6.460 0.980 3.517 363 HB3 PRO 59 HB1 PRO 59 -6.402 -0.080 2.105 364 HG2 PRO 59 HG2 PRO 59 -6.255 -1.016 4.644 365 HG3 PRO 59 HG1 PRO 59 -5.496 -1.823 3.259 366 HD2 PRO 59 HD2 PRO 59 -4.245 -0.072 5.337 367 HD3 PRO 59 HD1 PRO 59 -3.624 -1.561 4.589 368 H LYS 60 HN LYS 60 -3.511 2.810 1.271 369 HA LYS 60 HA LYS 60 -3.975 4.704 3.470 370 HB2 LYS 60 HB2 LYS 60 -1.917 4.756 1.265 371 HB3 LYS 60 HB1 LYS 60 -2.140 6.034 2.452 372 HG2 LYS 60 HG2 LYS 60 -1.579 4.514 4.247 373 HG3 LYS 60 HG1 LYS 60 -1.432 3.184 3.100 374 HD2 LYS 60 HD2 LYS 60 0.432 4.292 2.015 375 HD3 LYS 60 HD1 LYS 60 0.253 5.681 3.087 376 HE2 LYS 60 HE2 LYS 60 0.915 2.875 3.966 377 HE3 LYS 60 HE1 LYS 60 2.076 4.186 3.793 378 HZ1 LYS 60 HZ1 LYS 60 0.703 5.427 5.461 379 HZ2 LYS 60 HZ2 LYS 60 1.508 4.064 6.063 380 HZ3 LYS 60 HZ3 LYS 60 -0.155 3.990 5.741 381 H ARG 61 HN ARG 61 -4.443 6.891 2.981 382 HA ARG 61 HA ARG 61 -5.946 7.257 0.473 383 HB2 ARG 61 HB2 ARG 61 -7.551 8.630 1.753 384 HB3 ARG 61 HB1 ARG 61 -7.515 6.963 2.308 385 HG2 ARG 61 HG2 ARG 61 -6.129 7.608 4.205 386 HG3 ARG 61 HG1 ARG 61 -6.118 9.279 3.638 387 HD2 ARG 61 HD2 ARG 61 -8.639 9.213 3.802 388 HD3 ARG 61 HD1 ARG 61 -8.455 7.678 4.651 389 HE ARG 61 HE ARG 61 -6.827 9.410 6.005 390 HH11 ARG 61 HH11 ARG 61 -10.245 9.315 5.137 391 HH12 ARG 61 HH12 ARG 61 -10.741 10.295 6.573 392 HH21 ARG 61 HH21 ARG 61 -7.427 10.654 7.827 393 HH22 ARG 61 HH22 ARG 61 -9.170 11.062 8.063 394 H GLY 62 HN GLY 62 -6.553 9.840 0.558 395 HA2 GLY 62 HA2 GLY 62 -5.771 11.985 0.356 396 HA3 GLY 62 HA1 GLY 62 -4.540 11.576 1.542 397 H LYS 63 HN LYS 63 -2.965 12.726 0.454 398 HA LYS 63 HA LYS 63 -2.295 11.945 -2.269 399 HB2 LYS 63 HB2 LYS 63 -0.488 13.720 -1.971 400 HB3 LYS 63 HB1 LYS 63 -2.156 14.275 -1.977 401 HG2 LYS 63 HG2 LYS 63 -2.129 14.390 0.463 402 HG3 LYS 63 HG1 LYS 63 -0.453 13.834 0.473 403 HD2 LYS 63 HD2 LYS 63 -1.339 16.301 -1.001 404 HD3 LYS 63 HD1 LYS 63 -0.832 16.334 0.687 405 HE2 LYS 63 HE2 LYS 63 1.342 15.479 0.090 406 HE3 LYS 63 HE1 LYS 63 0.843 15.288 -1.588 407 HZ1 LYS 63 HZ1 LYS 63 2.114 17.438 -0.620 408 HZ2 LYS 63 HZ2 LYS 63 0.506 17.951 -0.525 409 HZ3 LYS 63 HZ3 LYS 63 1.145 17.451 -2.004 410 HA PRO 64 HA PRO 64 0.641 9.007 -0.733 411 HB2 PRO 64 HB2 PRO 64 1.659 8.231 -3.104 412 HB3 PRO 64 HB1 PRO 64 0.034 7.765 -2.579 413 HG2 PRO 64 HG2 PRO 64 0.846 9.910 -4.484 414 HG3 PRO 64 HG1 PRO 64 -0.511 8.773 -4.585 415 HD2 PRO 64 HD2 PRO 64 -0.771 11.365 -3.759 416 HD3 PRO 64 HD1 PRO 64 -1.857 10.053 -3.257 417 H GLN 65 HN GLN 65 2.753 8.982 -0.201 418 HA GLN 65 HA GLN 65 4.506 11.013 -1.401 419 HB2 GLN 65 HB2 GLN 65 4.225 10.119 1.465 420 HB3 GLN 65 HB1 GLN 65 5.704 10.871 0.885 421 HG2 GLN 65 HG2 GLN 65 4.819 12.898 0.988 422 HG3 GLN 65 HG1 GLN 65 3.374 12.391 0.115 423 HE21 GLN 65 HE21 GLN 65 1.533 11.883 1.241 424 HE22 GLN 65 HE22 GLN 65 1.373 12.129 2.946 425 H PHE 66 HN PHE 66 5.227 9.565 -2.918 426 HA PHE 66 HA PHE 66 6.078 6.934 -2.391 427 HB2 PHE 66 HB2 PHE 66 6.884 8.720 -4.684 428 HB3 PHE 66 HB1 PHE 66 6.974 6.964 -4.643 429 HD1 PHE 66 HD1 PHE 66 4.635 5.803 -4.055 430 HD2 PHE 66 HD2 PHE 66 5.123 9.662 -5.789 431 HE1 PHE 66 HE1 PHE 66 2.367 5.663 -4.991 432 HE2 PHE 66 HE2 PHE 66 2.852 9.527 -6.727 433 HZ PHE 66 HZ PHE 66 1.470 7.526 -6.329 434 H TYR 67 HN TYR 67 7.857 6.156 -1.571 435 HA TYR 67 HA TYR 67 10.344 7.666 -1.814 436 HB2 TYR 67 HB2 TYR 67 10.970 7.381 0.468 437 HB3 TYR 67 HB1 TYR 67 9.354 8.067 0.471 438 HD1 TYR 67 HD2 TYR 67 7.425 6.684 1.161 439 HD2 TYR 67 HD1 TYR 67 11.412 5.209 1.361 440 HE1 TYR 67 HE2 TYR 67 6.680 4.897 2.680 441 HE2 TYR 67 HE1 TYR 67 10.680 3.423 2.882 442 HH TYR 67 HH TYR 67 7.928 2.285 3.210 443 H LYS 68 HN LYS 68 12.117 6.428 -2.164 444 HA LYS 68 HA LYS 68 11.693 3.820 -3.199 445 HB2 LYS 68 HB2 LYS 68 13.405 5.542 -3.955 446 HB3 LYS 68 HB1 LYS 68 14.356 5.069 -2.555 447 HG2 LYS 68 HG2 LYS 68 15.303 3.630 -3.979 448 HG3 LYS 68 HG1 LYS 68 13.866 2.657 -3.670 449 HD2 LYS 68 HD2 LYS 68 13.977 4.692 -5.881 450 HD3 LYS 68 HD1 LYS 68 14.513 3.025 -6.107 451 HE2 LYS 68 HE2 LYS 68 12.240 2.331 -5.225 452 HE3 LYS 68 HE1 LYS 68 11.763 4.016 -5.415 453 HZ1 LYS 68 HZ1 LYS 68 12.969 2.582 -7.676 454 HZ2 LYS 68 HZ2 LYS 68 11.906 3.895 -7.690 455 HZ3 LYS 68 HZ3 LYS 68 11.334 2.347 -7.316 456 H TYR 69 HN TYR 69 11.628 1.941 -2.153 457 HA TYR 69 HA TYR 69 13.461 1.385 0.005 458 HB2 TYR 69 HB2 TYR 69 11.670 2.491 1.250 459 HB3 TYR 69 HB1 TYR 69 10.481 1.415 0.527 460 HD1 TYR 69 HD1 TYR 69 13.490 1.426 2.717 461 HD2 TYR 69 HD2 TYR 69 9.942 -0.606 1.564 462 HE1 TYR 69 HE1 TYR 69 13.802 -0.160 4.573 463 HE2 TYR 69 HE2 TYR 69 10.241 -2.199 3.407 464 HH TYR 69 HH TYR 69 12.645 -1.724 5.877 465 H LEU 70 HN LEU 70 14.152 -0.623 -0.318 466 HA LEU 70 HA LEU 70 12.868 -2.408 -2.125 467 HB2 LEU 70 HB2 LEU 70 15.177 -2.739 -0.221 468 HB3 LEU 70 HB1 LEU 70 14.600 -4.048 -1.231 469 HG LEU 70 HG LEU 70 15.703 -1.422 -2.233 470 HD11 LEU 70 HD11 LEU 70 17.574 -2.824 -3.030 471 HD12 LEU 70 HD12 LEU 70 16.878 -4.198 -2.173 472 HD13 LEU 70 HD13 LEU 70 17.448 -2.793 -1.273 473 HD21 LEU 70 HD21 LEU 70 15.689 -2.633 -4.431 474 HD22 LEU 70 HD22 LEU 70 14.095 -2.213 -3.804 475 HD23 LEU 70 HD23 LEU 70 14.691 -3.868 -3.668 476 H GLY 71 HN GLY 71 10.914 -3.153 -1.539 477 HA2 GLY 71 HA2 GLY 71 10.226 -5.261 -0.232 478 HA3 GLY 71 HA1 GLY 71 10.590 -4.262 1.166 479 H ASP 72 HN ASP 72 9.575 -1.875 -0.358 480 HA ASP 72 HA ASP 72 6.774 -2.256 0.356 481 HB2 ASP 72 HB2 ASP 72 8.565 0.103 0.024 482 HB3 ASP 72 HB1 ASP 72 6.846 0.332 -0.274 483 H MET 73 HN MET 73 5.280 -2.630 -1.133 484 HA MET 73 HA MET 73 5.868 -1.854 -3.916 485 HB2 MET 73 HB2 MET 73 4.530 -4.299 -2.792 486 HB3 MET 73 HB1 MET 73 4.220 -3.776 -4.442 487 HG2 MET 73 HG2 MET 73 6.561 -3.998 -4.992 488 HG3 MET 73 HG1 MET 73 6.941 -4.405 -3.322 489 HE1 MET 73 HE1 MET 73 4.764 -5.523 -6.423 490 HE2 MET 73 HE2 MET 73 3.671 -5.667 -5.047 491 HE3 MET 73 HE3 MET 73 4.227 -7.116 -5.888 492 H THR 74 HN THR 74 4.822 0.115 -3.860 493 HA THR 74 HA THR 74 2.066 0.245 -2.974 494 HB THR 74 HB THR 74 3.789 2.379 -4.254 495 HG1 THR 74 HG1 THR 74 4.627 1.920 -2.247 496 HG21 THR 74 HG21 THR 74 1.449 2.886 -4.587 497 HG22 THR 74 HG22 THR 74 2.086 3.936 -3.321 498 HG23 THR 74 HG23 THR 74 1.093 2.540 -2.894 499 H GLY 75 HN GLY 75 0.329 0.152 -4.214 500 HA2 GLY 75 HA2 GLY 75 0.696 0.195 -7.148 501 HA3 GLY 75 HA1 GLY 75 -0.394 -0.927 -6.338 502 H SER 76 HN SER 76 -1.181 0.914 -8.357 503 HA SER 76 HA SER 76 -2.343 3.237 -7.231 504 HB2 SER 76 HB2 SER 76 -3.792 2.989 -9.426 505 HB3 SER 76 HB1 SER 76 -2.086 3.423 -9.521 506 HG SER 76 HG SER 76 -3.220 1.426 -10.722 507 H ARG 77 HN ARG 77 -4.238 0.701 -8.785 508 HA ARG 77 HA ARG 77 -5.722 -0.178 -6.593 509 HB2 ARG 77 HB2 ARG 77 -6.519 2.221 -6.625 510 HB3 ARG 77 HB1 ARG 77 -7.207 1.904 -8.212 511 HG2 ARG 77 HG2 ARG 77 -8.738 0.315 -7.318 512 HG3 ARG 77 HG1 ARG 77 -7.938 0.350 -5.745 513 HD2 ARG 77 HD2 ARG 77 -9.946 1.654 -5.612 514 HD3 ARG 77 HD1 ARG 77 -8.560 2.739 -5.536 515 HE ARG 77 HE ARG 77 -9.864 2.327 -8.125 516 HH11 ARG 77 HH11 ARG 77 -9.188 4.383 -5.345 517 HH12 ARG 77 HH12 ARG 77 -9.756 5.877 -6.181 518 HH21 ARG 77 HH21 ARG 77 -10.572 4.229 -9.221 519 HH22 ARG 77 HH22 ARG 77 -10.541 5.794 -8.324 520 H THR 78 HN THR 78 -5.983 0.805 -9.965 521 HA THR 78 HA THR 78 -6.715 -1.939 -10.676 522 HB THR 78 HB THR 78 -8.724 -0.299 -10.599 523 HG1 THR 78 HG1 THR 78 -8.550 -1.404 -13.161 524 HG21 THR 78 HG21 THR 78 -7.434 0.601 -13.175 525 HG22 THR 78 HG22 THR 78 -7.681 1.586 -11.732 526 HG23 THR 78 HG23 THR 78 -9.068 1.004 -12.654 527 H CYS 79 HN CYS 79 -6.316 -2.337 -13.043 528 HA CYS 79 HA CYS 79 -4.206 -0.573 -14.071 529 HB2 CYS 79 HB2 CYS 79 -4.169 -3.584 -13.869 530 HB3 CYS 79 HB1 CYS 79 -3.109 -2.701 -14.962 531 H1 GAL 83 H1 GTP 1 6.127 2.160 8.601 532 H2 GAL 83 H2 GTP 1 5.483 4.329 6.541 533 H3 GAL 83 H3 GTP 1 3.762 2.313 8.031 534 H4 GAL 83 H4 GTP 1 3.378 1.443 5.765 535 H5 GAL 83 H5 GTP 1 5.161 0.537 7.152 536 H61 GAL 83 H61 GTP 1 5.356 0.605 4.211 537 H62 GAL 83 H62 GTP 1 5.436 -0.758 5.330 538 HO2 GAL 83 HO2 GTP 1 5.917 4.818 8.890 539 HO3 GAL 83 HO3 GTP 1 3.123 4.657 7.392 540 HO4 GAL 83 HO4 GTP 1 5.506 2.744 4.623 541 HO6 GAL 83 HO6 GTP 1 7.371 0.208 3.939 542 H1 NAG 84 H1 GCP 2 9.872 3.355 4.641 543 H2 NAG 84 H2 GCP 2 10.231 3.233 7.673 544 H3 NAG 84 H3 GCP 2 7.835 3.741 5.876 545 H4 NAG 84 H4 GCP 2 9.422 5.465 7.847 546 H5 NAG 84 H5 GCP 2 9.060 5.558 4.815 547 H61 NAG 84 H61 GCP 2 9.958 7.561 6.774 548 H62 NAG 84 H62 GCP 2 9.513 7.727 5.073 549 H81 NAG 84 HC23 GCP 2 10.162 -1.320 6.972 550 H82 NAG 84 HC21 GCP 2 8.888 -1.038 8.159 551 H83 NAG 84 HC22 GCP 2 8.594 -0.703 6.453 552 HN2 NAG 84 HN2 GCP 2 8.651 1.373 5.947 553 HO1 NAG 84 HO1 GCP 2 11.641 2.049 6.135 554 HO4 NAG 84 HO4 GCP 2 7.411 6.308 7.931 555 HO6 NAG 84 HO6 GCP 2 11.666 7.972 4.864
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