NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
632079 | 6eqy | 34184 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLN 16 H GLN 16 -4.734 11.858 -10.579 2 HA GLN 16 HA GLN 16 -2.676 10.122 -11.195 3 HB2 GLN 16 HB2 GLN 16 -4.631 10.593 -12.673 4 HB3 GLN 16 HB3 GLN 16 -3.872 12.113 -13.147 5 HG2 GLN 16 HG2 GLN 16 -1.911 10.859 -13.993 6 HG3 GLN 16 HG3 GLN 16 -2.694 9.344 -13.544 7 HE21 GLN 16 HE21 GLN 16 -2.099 9.576 -16.216 8 HE22 GLN 16 HE22 GLN 16 -3.492 9.906 -17.128 9 H HIS 17 H HIS 17 -2.631 13.656 -11.738 10 HA HIS 17 HA HIS 17 -0.816 15.058 -12.292 11 HB2 HIS 17 HB3 HIS 17 0.384 13.221 -10.199 12 HB3 HIS 17 HB2 HIS 17 1.137 14.717 -10.748 13 HD1 HIS 17 HD1 HIS 17 -2.273 15.505 -10.905 14 HD2 HIS 17 HD2 HIS 17 0.363 15.024 -7.712 15 HE1 HIS 17 HE1 HIS 17 -3.306 16.715 -8.934 16 H GLU 18 H GLU 18 1.937 14.551 -12.414 17 HA GLU 18 HA GLU 18 2.120 12.400 -14.483 18 HB2 GLU 18 HB2 GLU 18 2.062 14.650 -15.536 19 HB3 GLU 18 HB3 GLU 18 3.462 15.119 -14.572 20 HG2 GLU 18 HG3 GLU 18 4.734 13.217 -15.595 21 HG3 GLU 18 HG2 GLU 18 3.348 12.903 -16.640 22 H TRP 19 H TRP 19 4.241 11.416 -14.654 23 HA TRP 19 HA TRP 19 5.639 11.322 -12.079 24 HB2 TRP 19 HB2 TRP 19 5.178 9.321 -13.623 25 HB3 TRP 19 HB3 TRP 19 6.481 9.944 -14.635 26 HD1 TRP 19 HD1 TRP 19 5.801 8.233 -11.328 27 HE1 TRP 19 HE1 TRP 19 8.039 7.525 -10.260 28 HE3 TRP 19 HE3 TRP 19 9.062 10.596 -14.467 29 HZ2 TRP 19 HZ2 TRP 19 10.841 7.912 -10.683 30 HZ3 TRP 19 HZ3 TRP 19 11.508 10.410 -14.113 31 HH2 TRP 19 HH2 TRP 19 12.401 9.072 -12.226 32 H GLY 20 H GLY 20 7.723 12.101 -11.685 33 HA2 GLY 20 HA3 GLY 20 9.841 13.061 -12.295 34 HA3 GLY 20 HA2 GLY 20 9.213 13.353 -13.917 35 H GLU 21 H GLU 21 6.801 14.317 -11.901 36 HA GLU 21 HA GLU 21 7.299 17.125 -12.388 37 HB2 GLU 21 HB2 GLU 21 5.014 16.113 -12.207 38 HB3 GLU 21 HB3 GLU 21 5.299 15.871 -10.484 39 HG2 GLU 21 HG2 GLU 21 5.689 18.323 -10.241 40 HG3 GLU 21 HG3 GLU 21 5.293 18.529 -11.947 41 H LEU 22 H LEU 22 8.214 18.634 -11.032 42 HA LEU 22 HA LEU 22 9.386 17.603 -8.501 43 HB2 LEU 22 HB2 LEU 22 10.882 18.738 -10.137 44 HB3 LEU 22 HB3 LEU 22 9.917 20.204 -9.971 45 HG LEU 22 HG LEU 22 10.397 20.117 -7.483 46 HD11 LEU 22 HD11 LEU 22 11.087 17.612 -7.729 47 HD12 LEU 22 HD12 LEU 22 12.001 18.632 -6.618 48 HD13 LEU 22 HD13 LEU 22 12.654 18.260 -8.215 49 HD21 LEU 22 HD21 LEU 22 11.664 21.504 -9.222 50 HD22 LEU 22 HD22 LEU 22 12.910 20.258 -9.161 51 HD23 LEU 22 HD23 LEU 22 12.521 21.187 -7.713 52 H VAL 23 H VAL 23 8.930 18.592 -6.505 53 HA VAL 23 HA VAL 23 6.879 20.759 -6.532 54 HB VAL 23 HB VAL 23 5.689 19.631 -4.689 55 HG11 VAL 23 HG21 VAL 23 5.702 18.902 -7.391 56 HG12 VAL 23 HG22 VAL 23 4.441 18.530 -6.216 57 HG13 VAL 23 HG23 VAL 23 5.731 17.368 -6.523 58 HG21 VAL 23 HG11 VAL 23 7.588 17.325 -5.211 59 HG22 VAL 23 HG12 VAL 23 6.300 17.379 -4.008 60 HG23 VAL 23 HG13 VAL 23 7.714 18.418 -3.832 61 H GLN 24 H GLN 24 7.128 22.277 -4.880 62 HA GLN 24 HA GLN 24 9.672 22.083 -3.364 63 HB2 GLN 24 HB2 GLN 24 9.255 24.162 -4.608 64 HB3 GLN 24 HB3 GLN 24 7.740 24.394 -3.734 65 HG2 GLN 24 HG3 GLN 24 8.920 24.635 -1.631 66 HG3 GLN 24 HG2 GLN 24 10.451 24.197 -2.391 67 HE21 GLN 24 HE21 GLN 24 10.904 26.506 -1.342 68 HE22 GLN 24 HE22 GLN 24 10.695 27.816 -2.399 69 H LEU 25 H LEU 25 9.395 20.982 -1.466 70 HA LEU 25 HA LEU 25 6.881 20.972 -0.017 71 HB2 LEU 25 HB2 LEU 25 9.668 20.041 0.726 72 HB3 LEU 25 HB3 LEU 25 8.256 19.812 1.757 73 HG LEU 25 HG LEU 25 7.184 18.761 -0.389 74 HD11 LEU 25 HD11 LEU 25 8.604 18.922 -2.161 75 HD12 LEU 25 HD12 LEU 25 9.390 17.521 -1.436 76 HD13 LEU 25 HD13 LEU 25 10.016 19.141 -1.130 77 HD21 LEU 25 HD21 LEU 25 8.219 17.703 1.847 78 HD22 LEU 25 HD22 LEU 25 9.362 17.028 0.686 79 HD23 LEU 25 HD23 LEU 25 7.638 16.694 0.523 80 H ASP 26 H ASP 26 9.906 22.783 0.221 81 HA ASP 26 HA ASP 26 8.553 24.633 2.108 82 HB2 ASP 26 HB2 ASP 26 10.679 22.800 2.822 83 HB3 ASP 26 HB3 ASP 26 11.217 24.468 3.014 84 HA PRO 27 HA PRO 27 10.691 27.860 -0.055 85 HB2 PRO 27 HB2 PRO 27 11.936 29.340 1.835 86 HB3 PRO 27 HB3 PRO 27 10.186 29.352 1.605 87 HG2 PRO 27 HG2 PRO 27 11.825 27.849 3.614 88 HG3 PRO 27 HG3 PRO 27 10.316 28.737 3.853 89 HD2 PRO 27 HD2 PRO 27 10.360 26.052 3.623 90 HD3 PRO 27 HD3 PRO 27 9.018 27.015 3.004 91 H GLN 28 H GLN 28 12.503 25.583 1.701 92 HA GLN 28 HA GLN 28 14.916 26.283 0.108 93 HB2 GLN 28 HB3 GLN 28 16.376 25.935 2.030 94 HB3 GLN 28 HB2 GLN 28 15.198 27.187 2.422 95 HG2 GLN 28 HG2 GLN 28 13.803 25.516 3.585 96 HG3 GLN 28 HG3 GLN 28 14.975 24.259 3.187 97 HE21 GLN 28 HE21 GLN 28 16.928 24.161 4.434 98 HE22 GLN 28 HE22 GLN 28 17.250 25.201 5.737 99 H THR 29 H THR 29 12.628 24.075 0.611 100 HA THR 29 HA THR 29 14.531 21.796 0.243 101 HB THR 29 HB THR 29 11.840 21.745 1.644 102 HG1 THR 29 HG1 THR 29 14.517 21.560 2.543 103 HG21 THR 29 HG21 THR 29 13.893 19.568 1.161 104 HG22 THR 29 HG22 THR 29 12.302 19.674 0.407 105 HG23 THR 29 HG23 THR 29 12.438 19.397 2.144 106 H VAL 30 H VAL 30 13.969 20.319 -1.395 107 HA VAL 30 HA VAL 30 11.489 20.933 -2.936 108 HB VAL 30 HB VAL 30 12.828 20.556 -5.036 109 HG11 VAL 30 HG21 VAL 30 12.318 22.838 -3.891 110 HG12 VAL 30 HG22 VAL 30 13.546 22.795 -5.157 111 HG13 VAL 30 HG23 VAL 30 14.028 22.828 -3.461 112 HG21 VAL 30 HG11 VAL 30 15.371 21.043 -4.578 113 HG22 VAL 30 HG12 VAL 30 14.756 19.400 -4.396 114 HG23 VAL 30 HG13 VAL 30 15.008 20.409 -2.972 115 H GLY 31 H GLY 31 10.654 19.106 -4.117 116 HA2 GLY 31 HA3 GLY 31 11.980 16.494 -3.669 117 HA3 GLY 31 HA2 GLY 31 10.353 16.695 -3.015 118 H VAL 32 H VAL 32 10.824 14.757 -4.968 119 HA VAL 32 HA VAL 32 9.426 15.958 -7.325 120 HB VAL 32 HB VAL 32 11.071 13.518 -7.759 121 HG11 VAL 32 HG11 VAL 32 9.689 14.829 -9.475 122 HG12 VAL 32 HG12 VAL 32 11.358 14.479 -9.921 123 HG13 VAL 32 HG13 VAL 32 10.919 16.087 -9.346 124 HG21 VAL 32 HG21 VAL 32 12.732 14.635 -6.513 125 HG22 VAL 32 HG22 VAL 32 12.212 16.224 -7.076 126 HG23 VAL 32 HG23 VAL 32 13.063 15.136 -8.172 127 H ILE 33 H ILE 33 8.148 14.263 -8.554 128 HA ILE 33 HA ILE 33 6.772 12.520 -6.586 129 HB ILE 33 HB ILE 33 6.035 13.326 -9.417 130 HG12 ILE 33 HG12 ILE 33 4.802 14.115 -6.763 131 HG13 ILE 33 HG13 ILE 33 5.946 15.118 -7.654 132 HG21 ILE 33 HG21 ILE 33 5.129 11.152 -7.788 133 HG22 ILE 33 HG22 ILE 33 4.528 11.655 -9.368 134 HG23 ILE 33 HG23 ILE 33 3.829 12.338 -7.900 135 HD11 ILE 33 HD11 ILE 33 3.100 14.490 -8.260 136 HD12 ILE 33 HD12 ILE 33 4.196 14.597 -9.638 137 HD13 ILE 33 HD13 ILE 33 4.011 15.972 -8.549 138 H VAL 34 H VAL 34 7.369 10.415 -6.496 139 HA VAL 34 HA VAL 34 8.608 9.200 -8.929 140 HB VAL 34 HB VAL 34 9.244 7.408 -7.078 141 HG11 VAL 34 HG21 VAL 34 11.250 8.248 -7.651 142 HG12 VAL 34 HG22 VAL 34 11.007 9.568 -6.508 143 HG13 VAL 34 HG23 VAL 34 10.489 9.747 -8.184 144 HG21 VAL 34 HG11 VAL 34 7.795 8.919 -5.450 145 HG22 VAL 34 HG12 VAL 34 9.288 9.852 -5.343 146 HG23 VAL 34 HG13 VAL 34 9.276 8.152 -4.877 147 H ARG 35 H ARG 35 6.175 8.699 -6.396 148 HA ARG 35 HA ARG 35 4.967 6.592 -8.143 149 HB2 ARG 35 HB2 ARG 35 5.207 6.663 -5.124 150 HB3 ARG 35 HB3 ARG 35 4.109 5.577 -5.975 151 HG2 ARG 35 HG2 ARG 35 6.021 4.631 -7.225 152 HG3 ARG 35 HG3 ARG 35 7.116 5.710 -6.362 153 HD2 ARG 35 HD2 ARG 35 7.202 3.609 -5.211 154 HD3 ARG 35 HD3 ARG 35 6.229 4.682 -4.205 155 HE ARG 35 HE ARG 35 4.471 3.293 -5.954 156 HH11 ARG 35 HH11 ARG 35 4.521 0.853 -5.715 157 HH12 ARG 35 HH12 ARG 35 4.591 0.305 -4.073 158 HH21 ARG 35 HH21 ARG 35 5.475 3.406 -2.797 159 HH22 ARG 35 HH22 ARG 35 5.131 1.750 -2.422 160 H LEU 36 H LEU 36 3.067 7.371 -8.918 161 HA LEU 36 HA LEU 36 1.629 9.449 -7.359 162 HB2 LEU 36 HB2 LEU 36 1.091 8.428 -10.163 163 HB3 LEU 36 HB3 LEU 36 0.373 9.852 -9.410 164 HG LEU 36 HG LEU 36 2.777 10.705 -9.106 165 HD11 LEU 36 HD11 LEU 36 4.287 9.042 -9.531 166 HD12 LEU 36 HD12 LEU 36 4.098 9.582 -11.199 167 HD13 LEU 36 HD13 LEU 36 3.191 8.186 -10.616 168 HD21 LEU 36 HD21 LEU 36 2.902 11.405 -11.542 169 HD22 LEU 36 HD22 LEU 36 1.354 11.722 -10.758 170 HD23 LEU 36 HD23 LEU 36 1.527 10.342 -11.842 171 H GLU 37 H GLU 37 -0.348 9.058 -6.423 172 HA GLU 37 HA GLU 37 -1.673 6.450 -7.023 173 HB2 GLU 37 HB2 GLU 37 -1.202 7.649 -4.276 174 HB3 GLU 37 HB3 GLU 37 -2.191 6.226 -4.598 175 HG2 GLU 37 HG2 GLU 37 -0.182 5.140 -5.639 176 HG3 GLU 37 HG3 GLU 37 0.778 6.530 -5.133 177 H ARG 38 H ARG 38 -3.995 6.486 -6.620 178 HA ARG 38 HA ARG 38 -5.215 9.010 -7.316 179 HB2 ARG 38 HB2 ARG 38 -6.390 6.372 -6.399 180 HB3 ARG 38 HB3 ARG 38 -7.366 7.748 -6.915 181 HG2 ARG 38 HG2 ARG 38 -6.080 7.733 -9.090 182 HG3 ARG 38 HG3 ARG 38 -5.335 6.222 -8.568 183 HD2 ARG 38 HD2 ARG 38 -7.660 5.278 -8.278 184 HD3 ARG 38 HD3 ARG 38 -8.284 6.744 -9.035 185 HE ARG 38 HE ARG 38 -6.892 4.561 -10.403 186 HH11 ARG 38 HH11 ARG 38 -5.528 5.661 -12.167 187 HH12 ARG 38 HH12 ARG 38 -6.425 6.808 -13.106 188 HH21 ARG 38 HH21 ARG 38 -9.050 7.002 -10.848 189 HH22 ARG 38 HH22 ARG 38 -8.419 7.568 -12.359 190 H GLU 39 H GLU 39 -4.823 7.216 -4.292 191 HA GLU 39 HA GLU 39 -6.572 8.969 -2.770 192 HB2 GLU 39 HB2 GLU 39 -4.431 7.005 -1.898 193 HB3 GLU 39 HB3 GLU 39 -5.528 7.836 -0.795 194 HG2 GLU 39 HG2 GLU 39 -7.460 6.844 -2.003 195 HG3 GLU 39 HG3 GLU 39 -6.338 5.973 -3.049 196 H THR 40 H THR 40 -3.140 8.914 -3.558 197 HA THR 40 HA THR 40 -2.859 11.692 -2.766 198 HB THR 40 HB THR 40 -0.833 10.372 -1.227 199 HG1 THR 40 HG1 THR 40 -3.405 9.771 -0.278 200 HG21 THR 40 HG21 THR 40 -1.398 11.987 0.297 201 HG22 THR 40 HG22 THR 40 -3.130 11.729 0.085 202 HG23 THR 40 HG23 THR 40 -2.226 12.672 -1.100 203 H PHE 41 H PHE 41 -0.330 12.219 -2.842 204 HA PHE 41 HA PHE 41 0.788 10.653 -5.134 205 HB2 PHE 41 HB3 PHE 41 1.029 13.604 -4.484 206 HB3 PHE 41 HB2 PHE 41 1.954 12.797 -5.750 207 HD1 PHE 41 HD1 PHE 41 -1.276 14.171 -4.792 208 HD2 PHE 41 HD2 PHE 41 0.756 11.722 -7.678 209 HE1 PHE 41 HE1 PHE 41 -3.193 14.411 -6.347 210 HE2 PHE 41 HE2 PHE 41 -1.161 11.962 -9.232 211 HZ PHE 41 HZ PHE 41 -3.136 13.308 -8.565 212 H GLN 42 H GLN 42 2.866 9.882 -4.895 213 HA GLN 42 HA GLN 42 4.139 10.302 -2.254 214 HB2 GLN 42 HB2 GLN 42 4.762 8.395 -4.529 215 HB3 GLN 42 HB3 GLN 42 5.663 8.462 -3.014 216 HG2 GLN 42 HG3 GLN 42 3.479 8.067 -1.802 217 HG3 GLN 42 HG2 GLN 42 2.732 7.779 -3.374 218 HE21 GLN 42 HE21 GLN 42 2.342 5.496 -2.881 219 HE22 GLN 42 HE22 GLN 42 3.618 4.378 -2.847 220 H VAL 43 H VAL 43 5.530 11.995 -2.121 221 HA VAL 43 HA VAL 43 7.126 12.690 -4.551 222 HB VAL 43 HB VAL 43 6.446 14.402 -2.139 223 HG11 VAL 43 HG11 VAL 43 8.646 14.765 -3.508 224 HG12 VAL 43 HG12 VAL 43 7.609 16.152 -3.180 225 HG13 VAL 43 HG13 VAL 43 7.562 15.372 -4.760 226 HG21 VAL 43 HG21 VAL 43 5.371 14.362 -4.975 227 HG22 VAL 43 HG22 VAL 43 5.044 15.643 -3.806 228 HG23 VAL 43 HG23 VAL 43 4.470 14.002 -3.502 229 H LEU 44 H LEU 44 9.392 13.077 -4.275 230 HA LEU 44 HA LEU 44 10.529 11.671 -1.918 231 HB2 LEU 44 HB2 LEU 44 11.260 10.982 -4.196 232 HB3 LEU 44 HB3 LEU 44 11.886 12.608 -4.466 233 HG LEU 44 HG LEU 44 13.205 12.195 -2.245 234 HD11 LEU 44 HD11 LEU 44 13.498 10.001 -1.536 235 HD12 LEU 44 HD12 LEU 44 13.081 9.328 -3.113 236 HD13 LEU 44 HD13 LEU 44 11.813 9.950 -2.056 237 HD21 LEU 44 HD21 LEU 44 13.787 10.983 -4.946 238 HD22 LEU 44 HD22 LEU 44 14.955 10.881 -3.629 239 HD23 LEU 44 HD23 LEU 44 14.449 12.455 -4.238 240 H ASN 45 H ASN 45 11.437 12.833 -0.290 241 HA ASN 45 HA ASN 45 11.522 15.728 -0.406 242 HB2 ASN 45 HB2 ASN 45 12.628 13.758 1.620 243 HB3 ASN 45 HB3 ASN 45 12.618 15.507 1.843 244 HD21 ASN 45 HD21 ASN 45 11.170 13.841 3.633 245 HD22 ASN 45 HD22 ASN 45 9.505 14.042 3.375 246 H MET 46 H MET 46 13.309 17.064 -0.683 247 HA MET 46 HA MET 46 15.431 16.325 -2.327 248 HB2 MET 46 HB2 MET 46 15.069 18.652 -1.949 249 HB3 MET 46 HB3 MET 46 15.248 18.473 -0.204 250 HG2 MET 46 HG2 MET 46 17.631 17.797 -0.570 251 HG3 MET 46 HG3 MET 46 17.426 18.138 -2.289 252 HE1 MET 46 HE1 MET 46 16.674 19.409 1.171 253 HE2 MET 46 HE2 MET 46 17.346 21.037 1.242 254 HE3 MET 46 HE3 MET 46 18.426 19.649 1.135 255 H TYR 47 H TYR 47 15.098 15.822 1.121 256 HA TYR 47 HA TYR 47 17.864 15.304 1.702 257 HB2 TYR 47 HB2 TYR 47 15.307 14.340 3.013 258 HB3 TYR 47 HB3 TYR 47 16.912 14.014 3.663 259 HD1 TYR 47 HD1 TYR 47 17.171 17.087 2.034 260 HD2 TYR 47 HD2 TYR 47 15.494 15.335 5.582 261 HE1 TYR 47 HE1 TYR 47 17.178 19.308 3.134 262 HE2 TYR 47 HE2 TYR 47 15.501 17.558 6.680 263 HH TYR 47 HH TYR 47 16.586 20.469 4.933 264 H GLY 48 H GLY 48 15.672 13.631 -0.241 265 HA2 GLY 48 HA2 GLY 48 16.250 11.690 -1.528 266 HA3 GLY 48 HA3 GLY 48 17.496 11.305 -0.339 267 H LYS 49 H LYS 49 14.126 12.126 0.368 268 HA LYS 49 HA LYS 49 13.738 9.313 1.320 269 HB2 LYS 49 HB2 LYS 49 12.817 11.884 2.642 270 HB3 LYS 49 HB3 LYS 49 12.366 10.265 3.173 271 HG2 LYS 49 HG3 LYS 49 14.785 9.731 3.474 272 HG3 LYS 49 HG2 LYS 49 15.179 11.394 3.039 273 HD2 LYS 49 HD2 LYS 49 13.724 12.167 4.935 274 HD3 LYS 49 HD3 LYS 49 13.525 10.481 5.412 275 HE2 LYS 49 HE2 LYS 49 15.956 10.262 5.705 276 HE3 LYS 49 HE3 LYS 49 16.181 11.931 5.184 277 HZ1 LYS 49 HZ1 LYS 49 14.545 12.455 7.076 278 HZ2 LYS 49 HZ2 LYS 49 16.158 12.095 7.473 279 HZ3 LYS 49 HZ3 LYS 49 14.949 10.916 7.662 280 H VAL 50 H VAL 50 11.473 8.610 1.315 281 HA VAL 50 HA VAL 50 9.854 10.098 -0.713 282 HB VAL 50 HB VAL 50 9.773 7.137 -0.060 283 HG11 VAL 50 HG11 VAL 50 8.592 8.677 -2.389 284 HG12 VAL 50 HG12 VAL 50 7.674 8.199 -0.961 285 HG13 VAL 50 HG13 VAL 50 8.360 6.969 -2.021 286 HG21 VAL 50 HG21 VAL 50 11.877 8.217 -1.232 287 HG22 VAL 50 HG22 VAL 50 10.808 8.286 -2.633 288 HG23 VAL 50 HG23 VAL 50 11.173 6.735 -1.879 289 H VAL 51 H VAL 51 7.938 10.894 0.016 290 HA VAL 51 HA VAL 51 6.612 9.545 2.313 291 HB VAL 51 HB VAL 51 7.130 12.532 2.161 292 HG11 VAL 51 HG11 VAL 51 5.944 10.920 4.431 293 HG12 VAL 51 HG12 VAL 51 4.949 11.707 3.207 294 HG13 VAL 51 HG13 VAL 51 5.985 12.674 4.257 295 HG21 VAL 51 HG21 VAL 51 8.395 10.279 3.713 296 HG22 VAL 51 HG22 VAL 51 8.382 11.919 4.361 297 HG23 VAL 51 HG23 VAL 51 9.180 11.584 2.825 298 H THR 52 H THR 52 4.399 9.500 2.085 299 HA THR 52 HA THR 52 3.240 10.273 -0.438 300 HB THR 52 HB THR 52 1.766 9.609 2.126 301 HG1 THR 52 HG1 THR 52 2.643 7.731 1.913 302 HG21 THR 52 HG21 THR 52 0.941 8.955 -0.693 303 HG22 THR 52 HG22 THR 52 0.598 10.542 -0.003 304 HG23 THR 52 HG23 THR 52 -0.064 9.091 0.751 305 H VAL 53 H VAL 53 1.996 12.076 -0.951 306 HA VAL 53 HA VAL 53 1.361 14.016 1.202 307 HB VAL 53 HB VAL 53 2.365 15.875 -0.040 308 HG11 VAL 53 HG11 VAL 53 4.503 15.491 0.721 309 HG12 VAL 53 HG12 VAL 53 4.594 13.896 -0.025 310 HG13 VAL 53 HG13 VAL 53 3.708 14.114 1.484 311 HG21 VAL 53 HG21 VAL 53 3.225 13.699 -1.971 312 HG22 VAL 53 HG22 VAL 53 3.802 15.364 -2.021 313 HG23 VAL 53 HG23 VAL 53 2.098 15.012 -2.309 314 H ARG 54 H ARG 54 -0.107 15.772 0.329 315 HA ARG 54 HA ARG 54 -1.935 14.572 -1.692 316 HB2 ARG 54 HB2 ARG 54 -2.368 16.837 0.281 317 HB3 ARG 54 HB3 ARG 54 -3.592 16.198 -0.818 318 HG2 ARG 54 HG3 ARG 54 -3.356 13.967 0.237 319 HG3 ARG 54 HG2 ARG 54 -2.161 14.631 1.352 320 HD2 ARG 54 HD3 ARG 54 -4.273 14.634 2.506 321 HD3 ARG 54 HD2 ARG 54 -3.923 16.308 2.074 322 HE ARG 54 HE ARG 54 -5.461 15.843 0.046 323 HH11 ARG 54 HH11 ARG 54 -7.261 16.610 2.067 324 HH12 ARG 54 HH12 ARG 54 -8.246 15.219 2.371 325 HH21 ARG 54 HH21 ARG 54 -6.043 13.003 0.867 326 HH22 ARG 54 HH22 ARG 54 -7.556 13.176 1.692 327 H HIS 55 H HIS 55 -2.972 16.159 -3.230 328 HA HIS 55 HA HIS 55 -1.056 17.505 -4.804 329 HB2 HIS 55 HB2 HIS 55 -3.303 16.871 -5.625 330 HB3 HIS 55 HB3 HIS 55 -4.024 18.102 -4.589 331 HD1 HIS 55 HD1 HIS 55 -4.713 19.967 -6.100 332 HD2 HIS 55 HD2 HIS 55 -0.935 18.507 -7.085 333 HE1 HIS 55 HE1 HIS 55 -3.830 21.454 -7.951 334 H GLN 56 H GLN 56 -3.217 18.798 -2.280 335 HA GLN 56 HA GLN 56 -2.338 21.529 -2.595 336 HB2 GLN 56 HB3 GLN 56 -4.471 20.847 -1.463 337 HB3 GLN 56 HB2 GLN 56 -3.511 20.213 -0.127 338 HG2 GLN 56 HG3 GLN 56 -4.081 22.401 0.571 339 HG3 GLN 56 HG2 GLN 56 -2.436 22.567 -0.044 340 HE21 GLN 56 HE21 GLN 56 -2.317 24.506 -1.187 341 HE22 GLN 56 HE22 GLN 56 -3.487 25.062 -2.285 342 H ALA 57 H ALA 57 -1.189 18.775 -0.728 343 HA ALA 57 HA ALA 57 0.621 20.320 0.932 344 HB1 ALA 57 HB1 ALA 57 1.201 18.300 1.877 345 HB2 ALA 57 HB2 ALA 57 1.192 17.455 0.329 346 HB3 ALA 57 HB3 ALA 57 -0.330 17.820 1.142 347 H VAL 58 H VAL 58 0.642 19.586 -2.341 348 HA VAL 58 HA VAL 58 3.613 19.932 -2.439 349 HB VAL 58 HB VAL 58 3.711 18.515 -4.378 350 HG11 VAL 58 HG21 VAL 58 1.928 17.359 -2.217 351 HG12 VAL 58 HG22 VAL 58 3.686 17.258 -2.315 352 HG13 VAL 58 HG23 VAL 58 2.686 16.387 -3.478 353 HG21 VAL 58 HG11 VAL 58 1.677 17.533 -5.373 354 HG22 VAL 58 HG12 VAL 58 1.614 19.295 -5.427 355 HG23 VAL 58 HG13 VAL 58 0.683 18.416 -4.215 356 H THR 59 H THR 59 4.260 20.851 -4.684 357 HA THR 59 HA THR 59 2.210 22.851 -5.553 358 HB THR 59 HB THR 59 3.964 24.509 -5.793 359 HG1 THR 59 HG1 THR 59 6.104 23.927 -5.160 360 HG21 THR 59 HG21 THR 59 3.675 23.063 -3.204 361 HG22 THR 59 HG22 THR 59 3.266 24.729 -3.613 362 HG23 THR 59 HG23 THR 59 4.946 24.280 -3.314 363 H ARG 60 H ARG 60 2.838 23.766 -7.793 364 HA ARG 60 HA ARG 60 3.971 21.552 -9.460 365 HB2 ARG 60 HB3 ARG 60 1.713 23.470 -10.116 366 HB3 ARG 60 HB2 ARG 60 2.409 22.312 -11.250 367 HG2 ARG 60 HG3 ARG 60 1.818 20.475 -9.646 368 HG3 ARG 60 HG2 ARG 60 0.998 21.672 -8.643 369 HD2 ARG 60 HD3 ARG 60 0.330 21.003 -11.526 370 HD3 ARG 60 HD2 ARG 60 -0.622 20.555 -10.110 371 HE ARG 60 HE ARG 60 -0.883 23.081 -9.751 372 HH11 ARG 60 HH11 ARG 60 -1.513 21.402 -12.558 373 HH12 ARG 60 HH12 ARG 60 -1.643 22.791 -13.584 374 HH21 ARG 60 HH21 ARG 60 -0.483 25.005 -11.180 375 HH22 ARG 60 HH22 ARG 60 -1.060 24.831 -12.804 376 H LYS 61 H LYS 61 5.668 22.144 -10.739 377 HA LYS 61 HA LYS 61 5.977 25.003 -11.484 378 HB2 LYS 61 HB3 LYS 61 7.280 24.637 -9.388 379 HB3 LYS 61 HB2 LYS 61 8.189 23.366 -10.207 380 HG2 LYS 61 HG3 LYS 61 8.920 25.023 -11.911 381 HG3 LYS 61 HG2 LYS 61 8.063 26.285 -11.027 382 HD2 LYS 61 HD3 LYS 61 9.461 25.733 -9.013 383 HD3 LYS 61 HD2 LYS 61 10.390 24.622 -10.019 384 HE2 LYS 61 HE2 LYS 61 11.508 26.816 -9.875 385 HE3 LYS 61 HE3 LYS 61 10.986 26.487 -11.526 386 HZ1 LYS 61 HZ1 LYS 61 10.295 28.649 -9.903 387 HZ2 LYS 61 HZ2 LYS 61 8.886 27.732 -10.151 388 HZ3 LYS 61 HZ3 LYS 61 9.769 28.316 -11.481 389 H LYS 62 H LYS 62 6.602 25.168 -13.592 390 HA LYS 62 HA LYS 62 7.231 22.695 -15.059 391 HB2 LYS 62 HB2 LYS 62 6.889 25.560 -15.992 392 HB3 LYS 62 HB3 LYS 62 7.132 24.178 -17.060 393 HG2 LYS 62 HG3 LYS 62 5.078 23.129 -16.089 394 HG3 LYS 62 HG2 LYS 62 4.814 24.598 -15.149 395 HD2 LYS 62 HD2 LYS 62 4.742 25.905 -17.266 396 HD3 LYS 62 HD3 LYS 62 4.924 24.406 -18.176 397 HE2 LYS 62 HE2 LYS 62 2.756 23.810 -17.849 398 HE3 LYS 62 HE3 LYS 62 2.771 24.335 -16.166 399 HZ1 LYS 62 HZ1 LYS 62 1.457 25.610 -18.096 400 HZ2 LYS 62 HZ2 LYS 62 2.934 26.447 -18.148 401 HZ3 LYS 62 HZ3 LYS 62 2.045 26.377 -16.702 402 H ASP 63 H ASP 63 9.252 22.173 -15.845 403 HA ASP 63 HA ASP 63 11.550 23.571 -14.770 404 HB2 ASP 63 HB2 ASP 63 11.333 21.387 -16.864 405 HB3 ASP 63 HB3 ASP 63 12.850 21.953 -16.165 406 H ASN 64 H ASN 64 12.984 24.947 -15.849 407 HA ASN 64 HA ASN 64 12.019 25.952 -18.493 408 HB2 ASN 64 HB2 ASN 64 12.143 27.542 -16.498 409 HB3 ASN 64 HB3 ASN 64 13.896 27.375 -16.591 410 HD21 ASN 64 HD21 ASN 64 13.216 29.908 -17.038 411 HD22 ASN 64 HD22 ASN 64 13.186 30.304 -18.689 412 H ARG 65 H ARG 65 13.295 25.527 -20.228 413 HA ARG 65 HA ARG 65 15.652 23.963 -20.090 414 HB2 ARG 65 HB2 ARG 65 14.748 25.889 -22.252 415 HB3 ARG 65 HB3 ARG 65 16.028 24.692 -22.447 416 HG2 ARG 65 HG2 ARG 65 14.392 22.899 -21.876 417 HG3 ARG 65 HG3 ARG 65 13.122 24.120 -21.794 418 HD2 ARG 65 HD2 ARG 65 13.686 24.751 -24.170 419 HD3 ARG 65 HD3 ARG 65 14.774 23.364 -24.221 420 HE ARG 65 HE ARG 65 12.294 22.363 -23.363 421 HH11 ARG 65 HH11 ARG 65 12.248 24.746 -25.621 422 HH12 ARG 65 HH12 ARG 65 11.742 23.764 -26.956 423 HH21 ARG 65 HH21 ARG 65 12.228 20.769 -25.277 424 HH22 ARG 65 HH22 ARG 65 11.731 21.512 -26.761 425 H PHE 66 H PHE 66 15.212 27.471 -20.070 426 HA PHE 66 HA PHE 66 17.941 28.209 -20.446 427 HB2 PHE 66 HB2 PHE 66 15.706 29.571 -18.913 428 HB3 PHE 66 HB3 PHE 66 17.273 30.317 -19.231 429 HD1 PHE 66 HD1 PHE 66 14.054 29.337 -20.643 430 HD2 PHE 66 HD2 PHE 66 17.992 30.776 -21.575 431 HE1 PHE 66 HE1 PHE 66 13.274 30.011 -22.900 432 HE2 PHE 66 HE2 PHE 66 17.212 31.450 -23.830 433 HZ PHE 66 HZ PHE 66 14.853 31.068 -24.493 434 H ALA 67 H ALA 67 16.168 27.120 -17.602 435 HA ALA 67 HA ALA 67 17.892 27.876 -15.534 436 HB1 ALA 67 HB1 ALA 67 15.701 26.459 -15.473 437 HB2 ALA 67 HB2 ALA 67 16.937 26.150 -14.254 438 HB3 ALA 67 HB3 ALA 67 16.783 25.077 -15.645 439 H VAL 68 H VAL 68 20.096 27.819 -15.950 440 HA VAL 68 HA VAL 68 21.256 25.103 -16.400 441 HB VAL 68 HB VAL 68 22.978 26.092 -17.832 442 HG11 VAL 68 HG11 VAL 68 20.243 25.836 -18.470 443 HG12 VAL 68 HG12 VAL 68 21.600 25.825 -19.595 444 HG13 VAL 68 HG13 VAL 68 20.771 27.338 -19.229 445 HG21 VAL 68 HG21 VAL 68 23.288 28.347 -18.101 446 HG22 VAL 68 HG22 VAL 68 22.488 28.414 -16.531 447 HG23 VAL 68 HG23 VAL 68 21.563 28.699 -18.006 448 H ALA 69 H ALA 69 23.453 24.880 -15.514 449 HA ALA 69 HA ALA 69 24.185 26.965 -13.515 450 HB1 ALA 69 HB1 ALA 69 24.520 25.296 -11.789 451 HB2 ALA 69 HB2 ALA 69 24.137 23.994 -12.915 452 HB3 ALA 69 HB3 ALA 69 22.877 25.120 -12.409 453 H LEU 70 H LEU 70 26.446 27.030 -13.054 454 HA LEU 70 HA LEU 70 28.103 25.504 -15.018 455 HB2 LEU 70 HB2 LEU 70 28.137 28.012 -15.173 456 HB3 LEU 70 HB3 LEU 70 28.815 28.058 -13.546 457 HG LEU 70 HG LEU 70 30.658 26.520 -14.413 458 HD11 LEU 70 HD11 LEU 70 30.867 27.005 -17.032 459 HD12 LEU 70 HD12 LEU 70 29.109 27.078 -16.908 460 HD13 LEU 70 HD13 LEU 70 29.968 25.615 -16.424 461 HD21 LEU 70 HD21 LEU 70 30.956 28.929 -16.062 462 HD22 LEU 70 HD22 LEU 70 31.909 28.390 -14.679 463 HD23 LEU 70 HD23 LEU 70 30.407 29.278 -14.423 464 H ASP 71 H ASP 71 29.540 24.041 -14.213 465 HA ASP 71 HA ASP 71 29.680 23.617 -11.327 466 HB2 ASP 71 HB3 ASP 71 29.812 21.877 -13.323 467 HB3 ASP 71 HB2 ASP 71 31.534 22.252 -13.246 468 H SER 72 H SER 72 31.332 24.220 -9.973 469 HA SER 72 HA SER 72 33.037 26.355 -10.523 470 HB2 SER 72 HB2 SER 72 33.596 24.053 -8.628 471 HB3 SER 72 HB3 SER 72 34.350 25.646 -8.565 472 HG SER 72 HG SER 72 31.657 24.939 -8.106 473 H GLU 73 H GLU 73 33.400 23.041 -11.496 474 HA GLU 73 HA GLU 73 36.272 23.325 -12.067 475 HB2 GLU 73 HB2 GLU 73 34.324 21.117 -12.798 476 HB3 GLU 73 HB3 GLU 73 36.078 21.040 -12.966 477 HG2 GLU 73 HG3 GLU 73 36.331 21.338 -10.532 478 HG3 GLU 73 HG2 GLU 73 34.578 21.436 -10.358 479 H GLN 74 H GLN 74 34.097 25.018 -13.425 480 HA GLN 74 HA GLN 74 33.811 25.941 -15.560 481 HB2 GLN 74 HB2 GLN 74 36.208 24.228 -16.288 482 HB3 GLN 74 HB3 GLN 74 35.603 25.625 -17.180 483 HG2 GLN 74 HG2 GLN 74 36.043 27.050 -15.183 484 HG3 GLN 74 HG3 GLN 74 36.729 25.648 -14.362 485 HE21 GLN 74 HE21 GLN 74 38.152 28.152 -15.155 486 HE22 GLN 74 HE22 GLN 74 39.430 27.639 -16.148 487 H ASN 75 H ASN 75 32.273 23.676 -14.859 488 HA ASN 75 HA ASN 75 32.125 22.239 -17.484 489 HB2 ASN 75 HB2 ASN 75 31.188 21.238 -14.778 490 HB3 ASN 75 HB3 ASN 75 31.179 20.335 -16.293 491 HD21 ASN 75 HD21 ASN 75 32.610 19.158 -14.262 492 HD22 ASN 75 HD22 ASN 75 34.278 19.320 -14.531 493 H ASN 76 H ASN 76 30.111 22.158 -18.486 494 HA ASN 76 HA ASN 76 28.082 24.023 -17.415 495 HB2 ASN 76 HB2 ASN 76 28.880 23.971 -19.863 496 HB3 ASN 76 HB3 ASN 76 27.925 22.497 -20.018 497 HD21 ASN 76 HD21 ASN 76 27.198 24.798 -21.508 498 HD22 ASN 76 HD22 ASN 76 25.751 25.435 -20.888 499 H ILE 77 H ILE 77 26.300 23.297 -16.358 500 HA ILE 77 HA ILE 77 25.600 20.402 -16.652 501 HB ILE 77 HB ILE 77 25.156 22.188 -14.240 502 HG12 ILE 77 HG12 ILE 77 27.144 19.928 -14.607 503 HG13 ILE 77 HG13 ILE 77 27.564 21.637 -14.723 504 HG21 ILE 77 HG21 ILE 77 23.551 20.253 -14.668 505 HG22 ILE 77 HG22 ILE 77 24.412 20.198 -13.129 506 HG23 ILE 77 HG23 ILE 77 24.935 19.177 -14.469 507 HD11 ILE 77 HD11 ILE 77 26.178 20.485 -12.295 508 HD12 ILE 77 HD12 ILE 77 27.015 22.030 -12.438 509 HD13 ILE 77 HD13 ILE 77 27.935 20.525 -12.440 510 H HIS 78 H HIS 78 23.498 19.953 -17.227 511 HA HIS 78 HA HIS 78 21.589 22.258 -17.280 512 HB2 HIS 78 HB2 HIS 78 21.903 20.028 -19.312 513 HB3 HIS 78 HB3 HIS 78 20.628 21.245 -19.342 514 HD1 HIS 78 HD1 HIS 78 24.253 20.741 -20.051 515 HD2 HIS 78 HD2 HIS 78 21.544 23.907 -19.963 516 HE1 HIS 78 HE1 HIS 78 25.397 22.693 -21.189 517 H VAL 79 H VAL 79 19.358 21.691 -16.918 518 HA VAL 79 HA VAL 79 18.872 19.792 -14.896 519 HB VAL 79 HB VAL 79 17.346 21.687 -15.584 520 HG11 VAL 79 HG11 VAL 79 17.352 21.272 -17.999 521 HG12 VAL 79 HG12 VAL 79 15.704 21.165 -17.381 522 HG13 VAL 79 HG13 VAL 79 16.606 19.693 -17.748 523 HG21 VAL 79 HG21 VAL 79 16.769 19.443 -14.243 524 HG22 VAL 79 HG22 VAL 79 15.694 19.202 -15.619 525 HG23 VAL 79 HG23 VAL 79 15.531 20.643 -14.616 526 H LYS 80 H LYS 80 18.894 19.409 -18.391 527 HA LYS 80 HA LYS 80 18.160 16.533 -18.017 528 HB2 LYS 80 HB2 LYS 80 16.644 17.875 -19.496 529 HB3 LYS 80 HB3 LYS 80 18.017 18.182 -20.558 530 HG2 LYS 80 HG2 LYS 80 18.305 15.732 -20.859 531 HG3 LYS 80 HG3 LYS 80 16.888 15.458 -19.845 532 HD2 LYS 80 HD2 LYS 80 15.543 16.836 -21.450 533 HD3 LYS 80 HD3 LYS 80 16.961 16.934 -22.494 534 HE2 LYS 80 HE2 LYS 80 16.106 15.041 -23.433 535 HE3 LYS 80 HE3 LYS 80 16.832 14.241 -22.038 536 HZ1 LYS 80 HZ1 LYS 80 14.121 15.382 -21.859 537 HZ2 LYS 80 HZ2 LYS 80 14.822 14.138 -20.940 538 HZ3 LYS 80 HZ3 LYS 80 14.357 13.850 -22.548 539 H ASP 81 H ASP 81 20.311 15.839 -17.553 540 HA ASP 81 HA ASP 81 21.950 15.354 -19.900 541 HB2 ASP 81 HB2 ASP 81 22.519 17.749 -19.253 542 HB3 ASP 81 HB3 ASP 81 23.185 17.097 -17.755 543 H ILE 82 H ILE 82 24.052 14.206 -19.179 544 HA ILE 82 HA ILE 82 23.371 12.486 -16.842 545 HB ILE 82 HB ILE 82 25.366 11.995 -19.072 546 HG12 ILE 82 HG12 ILE 82 22.590 10.841 -18.671 547 HG13 ILE 82 HG13 ILE 82 22.989 12.097 -19.843 548 HG21 ILE 82 HG21 ILE 82 24.960 9.583 -18.161 549 HG22 ILE 82 HG22 ILE 82 24.379 10.406 -16.713 550 HG23 ILE 82 HG23 ILE 82 26.036 10.654 -17.262 551 HD11 ILE 82 HD11 ILE 82 24.852 9.906 -20.092 552 HD12 ILE 82 HD12 ILE 82 23.744 10.556 -21.301 553 HD13 ILE 82 HD13 ILE 82 23.200 9.297 -20.192 554 H VAL 83 H VAL 83 24.678 12.498 -15.056 555 HA VAL 83 HA VAL 83 27.388 13.706 -15.284 556 HB VAL 83 HB VAL 83 25.672 15.421 -14.496 557 HG11 VAL 83 HG11 VAL 83 25.660 13.561 -12.099 558 HG12 VAL 83 HG12 VAL 83 24.287 13.920 -13.146 559 HG13 VAL 83 HG13 VAL 83 24.965 15.182 -12.118 560 HG21 VAL 83 HG21 VAL 83 27.864 14.668 -12.539 561 HG22 VAL 83 HG22 VAL 83 27.137 16.264 -12.726 562 HG23 VAL 83 HG23 VAL 83 28.112 15.581 -14.027 563 H LYS 84 H LYS 84 28.840 12.973 -13.604 564 HA LYS 84 HA LYS 84 28.044 10.351 -12.506 565 HB2 LYS 84 HB2 LYS 84 30.276 10.775 -13.662 566 HB3 LYS 84 HB3 LYS 84 30.735 11.707 -12.236 567 HG2 LYS 84 HG2 LYS 84 30.300 9.731 -10.813 568 HG3 LYS 84 HG3 LYS 84 29.861 8.801 -12.245 569 HD2 LYS 84 HD2 LYS 84 32.136 9.208 -13.171 570 HD3 LYS 84 HD3 LYS 84 32.565 10.055 -11.685 571 HE2 LYS 84 HE2 LYS 84 31.494 7.669 -10.760 572 HE3 LYS 84 HE3 LYS 84 32.384 7.176 -12.201 573 HZ1 LYS 84 HZ1 LYS 84 33.367 8.291 -9.700 574 HZ2 LYS 84 HZ2 LYS 84 34.140 8.827 -11.115 575 HZ3 LYS 84 HZ3 LYS 84 34.089 7.170 -10.747 576 H VAL 85 H VAL 85 27.928 9.901 -10.296 577 HA VAL 85 HA VAL 85 27.988 12.298 -8.509 578 HB VAL 85 HB VAL 85 26.494 9.692 -8.091 579 HG11 VAL 85 HG21 VAL 85 27.204 11.679 -6.292 580 HG12 VAL 85 HG22 VAL 85 25.872 10.542 -6.086 581 HG13 VAL 85 HG23 VAL 85 25.570 12.139 -6.769 582 HG21 VAL 85 HG11 VAL 85 24.826 12.001 -8.556 583 HG22 VAL 85 HG12 VAL 85 24.860 10.469 -9.430 584 HG23 VAL 85 HG13 VAL 85 25.932 11.784 -9.913 585 H ILE 86 H ILE 86 29.696 12.315 -7.140 586 HA ILE 86 HA ILE 86 30.802 9.683 -6.245 587 HB ILE 86 HB ILE 86 32.305 12.265 -6.764 588 HG12 ILE 86 HG12 ILE 86 32.355 9.595 -8.204 589 HG13 ILE 86 HG13 ILE 86 31.611 11.071 -8.820 590 HG21 ILE 86 HG21 ILE 86 33.299 9.525 -5.924 591 HG22 ILE 86 HG22 ILE 86 33.202 10.935 -4.869 592 HG23 ILE 86 HG23 ILE 86 34.305 10.939 -6.245 593 HD11 ILE 86 HD11 ILE 86 34.473 10.325 -8.646 594 HD12 ILE 86 HD12 ILE 86 34.098 11.990 -8.203 595 HD13 ILE 86 HD13 ILE 86 33.654 11.380 -9.797 596 H ASP 87 H ASP 87 29.409 12.653 -5.321 597 HA ASP 87 HA ASP 87 30.549 12.478 -2.576 598 HB2 ASP 87 HB3 ASP 87 30.622 14.707 -3.416 599 HB3 ASP 87 HB2 ASP 87 28.969 14.614 -4.022 600 H GLY 88 H GLY 88 29.258 11.960 -0.818 601 HA2 GLY 88 HA2 GLY 88 27.058 11.766 0.254 602 HA3 GLY 88 HA3 GLY 88 26.356 11.495 -1.342 603 HA PRO 89 HA PRO 89 27.485 7.406 0.908 604 HB2 PRO 89 HB2 PRO 89 24.970 6.587 1.468 605 HB3 PRO 89 HB3 PRO 89 25.938 7.548 2.587 606 HG2 PRO 89 HG2 PRO 89 23.785 8.430 0.701 607 HG3 PRO 89 HG3 PRO 89 24.058 8.911 2.378 608 HD2 PRO 89 HD2 PRO 89 24.809 10.470 0.305 609 HD3 PRO 89 HD3 PRO 89 25.725 10.414 1.812 610 H HIS 90 H HIS 90 24.841 8.273 -1.308 611 HA HIS 90 HA HIS 90 24.915 5.607 -2.561 612 HB2 HIS 90 HB2 HIS 90 23.376 8.121 -3.287 613 HB3 HIS 90 HB3 HIS 90 23.168 6.547 -4.057 614 HD1 HIS 90 HD1 HIS 90 22.557 8.366 -0.818 615 HD2 HIS 90 HD2 HIS 90 21.743 4.644 -2.508 616 HE1 HIS 90 HE1 HIS 90 20.906 7.225 0.726 617 H SER 91 H SER 91 26.501 8.607 -2.874 618 HA SER 91 HA SER 91 26.979 8.891 -5.614 619 HB2 SER 91 HB2 SER 91 28.559 10.388 -4.960 620 HB3 SER 91 HB3 SER 91 27.949 10.062 -3.337 621 HG SER 91 HG SER 91 30.191 8.951 -4.641 622 H GLY 92 H GLY 92 29.435 8.439 -6.455 623 HA2 GLY 92 HA2 GLY 92 31.184 6.782 -6.693 624 HA3 GLY 92 HA3 GLY 92 30.187 5.645 -5.783 625 H ARG 93 H ARG 93 28.151 7.184 -7.900 626 HA ARG 93 HA ARG 93 28.734 5.332 -10.157 627 HB2 ARG 93 HB2 ARG 93 26.043 5.556 -8.774 628 HB3 ARG 93 HB3 ARG 93 26.378 4.607 -10.222 629 HG2 ARG 93 HG2 ARG 93 28.036 3.275 -8.950 630 HG3 ARG 93 HG3 ARG 93 27.659 4.207 -7.500 631 HD2 ARG 93 HD2 ARG 93 25.266 3.473 -7.733 632 HD3 ARG 93 HD3 ARG 93 25.766 2.422 -9.059 633 HE ARG 93 HE ARG 93 26.551 2.075 -6.206 634 HH11 ARG 93 HH11 ARG 93 28.129 1.270 -8.922 635 HH12 ARG 93 HH12 ARG 93 27.896 -0.444 -8.828 636 HH21 ARG 93 HH21 ARG 93 25.516 -0.249 -6.314 637 HH22 ARG 93 HH22 ARG 93 26.417 -1.303 -7.351 638 H GLU 94 H GLU 94 27.177 5.868 -12.043 639 HA GLU 94 HA GLU 94 27.024 8.833 -12.238 640 HB2 GLU 94 HB2 GLU 94 27.005 8.514 -14.640 641 HB3 GLU 94 HB3 GLU 94 28.304 7.527 -13.969 642 HG2 GLU 94 HG3 GLU 94 26.722 5.574 -13.949 643 HG3 GLU 94 HG2 GLU 94 25.542 6.581 -14.788 644 H GLY 95 H GLY 95 25.080 9.871 -12.700 645 HA2 GLY 95 HA2 GLY 95 22.660 8.131 -12.932 646 HA3 GLY 95 HA3 GLY 95 22.686 9.501 -11.822 647 H GLU 96 H GLU 96 20.710 9.775 -13.505 648 HA GLU 96 HA GLU 96 21.722 11.407 -15.798 649 HB2 GLU 96 HB2 GLU 96 20.275 9.452 -16.382 650 HB3 GLU 96 HB3 GLU 96 18.976 10.172 -15.431 651 HG2 GLU 96 HG2 GLU 96 19.122 12.213 -16.875 652 HG3 GLU 96 HG3 GLU 96 20.311 11.377 -17.873 653 H ILE 97 H ILE 97 21.434 13.575 -15.619 654 HA ILE 97 HA ILE 97 20.064 14.712 -13.335 655 HB ILE 97 HB ILE 97 21.135 16.007 -15.861 656 HG12 ILE 97 HG13 ILE 97 22.288 15.911 -13.059 657 HG13 ILE 97 HG12 ILE 97 22.788 14.836 -14.365 658 HG21 ILE 97 HG21 ILE 97 21.066 17.811 -13.678 659 HG22 ILE 97 HG22 ILE 97 19.480 17.042 -13.738 660 HG23 ILE 97 HG23 ILE 97 20.106 17.882 -15.156 661 HD11 ILE 97 HD11 ILE 97 22.806 17.530 -15.348 662 HD12 ILE 97 HD12 ILE 97 24.169 16.426 -15.161 663 HD13 ILE 97 HD13 ILE 97 23.701 17.484 -13.829 664 H ARG 98 H ARG 98 17.867 14.645 -13.233 665 HA ARG 98 HA ARG 98 16.316 15.000 -15.752 666 HB2 ARG 98 HB2 ARG 98 15.467 14.017 -13.010 667 HB3 ARG 98 HB3 ARG 98 14.395 14.166 -14.401 668 HG2 ARG 98 HG2 ARG 98 16.910 12.471 -14.350 669 HG3 ARG 98 HG3 ARG 98 15.280 11.845 -14.100 670 HD2 ARG 98 HD2 ARG 98 16.213 13.322 -16.581 671 HD3 ARG 98 HD3 ARG 98 16.029 11.572 -16.455 672 HE ARG 98 HE ARG 98 13.689 13.376 -16.017 673 HH11 ARG 98 HH11 ARG 98 12.978 13.220 -18.481 674 HH12 ARG 98 HH12 ARG 98 12.588 11.590 -18.915 675 HH21 ARG 98 HH21 ARG 98 14.186 10.195 -16.173 676 HH22 ARG 98 HH22 ARG 98 13.272 9.878 -17.609 677 H HIS 99 H HIS 99 16.370 16.149 -12.363 678 HA HIS 99 HA HIS 99 15.168 18.702 -13.359 679 HB2 HIS 99 HB2 HIS 99 14.702 17.841 -10.536 680 HB3 HIS 99 HB3 HIS 99 13.668 18.790 -11.602 681 HD1 HIS 99 HD1 HIS 99 12.185 17.485 -13.315 682 HD2 HIS 99 HD2 HIS 99 14.357 15.032 -10.737 683 HE1 HIS 99 HE1 HIS 99 11.218 15.156 -13.557 684 H LEU 100 H LEU 100 16.168 20.572 -12.616 685 HA LEU 100 HA LEU 100 18.430 20.177 -10.695 686 HB2 LEU 100 HB2 LEU 100 19.068 20.644 -13.125 687 HB3 LEU 100 HB3 LEU 100 18.362 22.246 -12.902 688 HG LEU 100 HG LEU 100 20.327 21.269 -10.866 689 HD11 LEU 100 HD11 LEU 100 20.907 21.834 -13.728 690 HD12 LEU 100 HD12 LEU 100 21.792 20.832 -12.577 691 HD13 LEU 100 HD13 LEU 100 21.982 22.585 -12.548 692 HD21 LEU 100 HD21 LEU 100 19.675 23.374 -10.249 693 HD22 LEU 100 HD22 LEU 100 19.202 23.818 -11.889 694 HD23 LEU 100 HD23 LEU 100 20.901 23.863 -11.419 695 H PHE 101 H PHE 101 18.250 21.397 -8.880 696 HA PHE 101 HA PHE 101 16.702 23.942 -9.030 697 HB2 PHE 101 HB2 PHE 101 15.259 22.107 -8.105 698 HB3 PHE 101 HB3 PHE 101 16.429 21.902 -6.801 699 HD1 PHE 101 HD1 PHE 101 14.097 24.331 -8.388 700 HD2 PHE 101 HD2 PHE 101 16.478 23.389 -4.939 701 HE1 PHE 101 HE1 PHE 101 13.032 26.193 -7.146 702 HE2 PHE 101 HE2 PHE 101 15.413 25.252 -3.696 703 HZ PHE 101 HZ PHE 101 13.690 26.655 -4.799 704 H ARG 102 H ARG 102 18.019 25.543 -8.317 705 HA ARG 102 HA ARG 102 19.808 26.605 -7.223 706 HB2 ARG 102 HB2 ARG 102 19.054 24.660 -5.019 707 HB3 ARG 102 HB3 ARG 102 19.933 26.176 -4.822 708 HG2 ARG 102 HG2 ARG 102 17.960 27.399 -5.729 709 HG3 ARG 102 HG3 ARG 102 17.080 25.871 -5.806 710 HD2 ARG 102 HD2 ARG 102 16.494 27.009 -3.734 711 HD3 ARG 102 HD3 ARG 102 17.467 25.591 -3.345 712 HE ARG 102 HE ARG 102 19.155 27.903 -3.652 713 HH11 ARG 102 HH11 ARG 102 20.391 27.966 -1.665 714 HH12 ARG 102 HH12 ARG 102 19.499 27.964 -0.180 715 HH21 ARG 102 HH21 ARG 102 16.470 27.217 -1.696 716 HH22 ARG 102 HH22 ARG 102 17.278 27.539 -0.198 717 H SER 103 H SER 103 21.413 25.097 -5.113 718 HA SER 103 HA SER 103 23.390 24.016 -6.969 719 HB2 SER 103 HB2 SER 103 23.247 24.556 -4.034 720 HB3 SER 103 HB3 SER 103 24.429 23.371 -4.591 721 HG SER 103 HG SER 103 25.484 24.882 -5.667 722 H PHE 104 H PHE 104 20.599 22.710 -5.924 723 HA PHE 104 HA PHE 104 21.776 19.976 -5.639 724 HB2 PHE 104 HB2 PHE 104 19.099 21.046 -4.687 725 HB3 PHE 104 HB3 PHE 104 19.636 19.373 -4.522 726 HD1 PHE 104 HD1 PHE 104 21.679 18.855 -3.143 727 HD2 PHE 104 HD2 PHE 104 19.862 22.747 -3.197 728 HE1 PHE 104 HE1 PHE 104 22.884 19.447 -1.057 729 HE2 PHE 104 HE2 PHE 104 21.067 23.339 -1.111 730 HZ PHE 104 HZ PHE 104 22.577 21.689 -0.042 731 H ALA 105 H ALA 105 21.184 18.458 -7.157 732 HA ALA 105 HA ALA 105 19.039 19.243 -9.091 733 HB1 ALA 105 HB1 ALA 105 21.644 19.179 -9.770 734 HB2 ALA 105 HB2 ALA 105 20.365 18.720 -10.895 735 HB3 ALA 105 HB3 ALA 105 21.252 17.477 -10.012 736 H PHE 106 H PHE 106 17.555 17.637 -9.569 737 HA PHE 106 HA PHE 106 17.616 15.234 -7.892 738 HB2 PHE 106 HB2 PHE 106 15.655 16.392 -9.867 739 HB3 PHE 106 HB3 PHE 106 15.450 14.757 -9.241 740 HD1 PHE 106 HD1 PHE 106 15.331 14.406 -6.732 741 HD2 PHE 106 HD2 PHE 106 15.097 18.291 -8.548 742 HE1 PHE 106 HE1 PHE 106 14.348 15.322 -4.647 743 HE2 PHE 106 HE2 PHE 106 14.115 19.207 -6.464 744 HZ PHE 106 HZ PHE 106 13.741 17.722 -4.512 745 H LEU 107 H LEU 107 18.841 13.535 -8.539 746 HA LEU 107 HA LEU 107 19.239 13.081 -11.450 747 HB2 LEU 107 HB3 LEU 107 20.595 11.744 -9.090 748 HB3 LEU 107 HB2 LEU 107 21.064 11.605 -10.785 749 HG LEU 107 HG LEU 107 20.912 14.375 -10.237 750 HD11 LEU 107 HD11 LEU 107 21.112 13.316 -7.802 751 HD12 LEU 107 HD12 LEU 107 22.021 14.762 -8.241 752 HD13 LEU 107 HD13 LEU 107 22.811 13.186 -8.254 753 HD21 LEU 107 HD21 LEU 107 22.498 13.618 -11.795 754 HD22 LEU 107 HD22 LEU 107 23.105 12.367 -10.711 755 HD23 LEU 107 HD23 LEU 107 23.498 14.059 -10.411 756 H HIS 108 H HIS 108 18.885 10.940 -12.336 757 HA HIS 108 HA HIS 108 16.890 9.360 -10.762 758 HB2 HIS 108 HB2 HIS 108 15.820 10.308 -12.705 759 HB3 HIS 108 HB3 HIS 108 17.148 9.801 -13.749 760 HD1 HIS 108 HD1 HIS 108 16.762 7.648 -14.938 761 HD2 HIS 108 HD2 HIS 108 14.539 7.865 -11.419 762 HE1 HIS 108 HE1 HIS 108 15.369 5.534 -14.839 763 H CYS 109 H CYS 109 17.164 7.109 -10.693 764 HA CYS 109 HA CYS 109 19.578 6.018 -12.070 765 HB2 CYS 109 HB2 CYS 109 19.064 6.244 -9.192 766 HB3 CYS 109 HB3 CYS 109 19.444 4.597 -9.696 767 HG CYS 109 HG CYS 109 21.338 7.041 -10.163 768 H LYS 110 H LYS 110 18.871 4.400 -13.369 769 HA LYS 110 HA LYS 110 16.277 3.195 -13.128 770 HB2 LYS 110 HB2 LYS 110 18.740 2.279 -14.642 771 HB3 LYS 110 HB3 LYS 110 17.128 1.595 -14.845 772 HG2 LYS 110 HG2 LYS 110 16.276 3.830 -15.494 773 HG3 LYS 110 HG3 LYS 110 17.902 4.491 -15.322 774 HD2 LYS 110 HD2 LYS 110 18.706 2.898 -17.054 775 HD3 LYS 110 HD3 LYS 110 17.057 2.308 -17.253 776 HE2 LYS 110 HE2 LYS 110 17.047 5.178 -17.409 777 HE3 LYS 110 HE3 LYS 110 18.266 4.549 -18.517 778 HZ1 LYS 110 HZ1 LYS 110 16.446 4.362 -19.829 779 HZ2 LYS 110 HZ2 LYS 110 15.370 4.176 -18.527 780 HZ3 LYS 110 HZ3 LYS 110 16.324 2.866 -19.039 781 H LYS 111 H LYS 111 19.396 2.419 -11.763 782 HA LYS 111 HA LYS 111 19.106 -0.315 -11.182 783 HB2 LYS 111 HB2 LYS 111 21.139 1.042 -10.677 784 HB3 LYS 111 HB3 LYS 111 20.272 1.791 -9.336 785 HG2 LYS 111 HG2 LYS 111 19.940 -0.448 -8.321 786 HG3 LYS 111 HG3 LYS 111 20.850 -1.172 -9.647 787 HD2 LYS 111 HD2 LYS 111 22.803 0.268 -9.024 788 HD3 LYS 111 HD3 LYS 111 21.889 0.838 -7.626 789 HE2 LYS 111 HE2 LYS 111 22.078 -2.112 -7.992 790 HE3 LYS 111 HE3 LYS 111 23.551 -1.279 -7.497 791 HZ1 LYS 111 HZ1 LYS 111 21.825 -0.136 -5.866 792 HZ2 LYS 111 HZ2 LYS 111 22.630 -1.580 -5.472 793 HZ3 LYS 111 HZ3 LYS 111 21.038 -1.625 -6.062 794 H LEU 112 H LEU 112 17.724 2.491 -9.505 795 HA LEU 112 HA LEU 112 16.245 0.610 -7.720 796 HB2 LEU 112 HB3 LEU 112 17.588 2.454 -6.658 797 HB3 LEU 112 HB2 LEU 112 16.534 3.618 -7.462 798 HG LEU 112 HG LEU 112 14.600 2.794 -6.279 799 HD11 LEU 112 HD21 LEU 112 15.309 0.933 -4.449 800 HD12 LEU 112 HD22 LEU 112 16.417 0.502 -5.751 801 HD13 LEU 112 HD23 LEU 112 14.678 0.515 -6.042 802 HD21 LEU 112 HD11 LEU 112 15.841 2.753 -3.819 803 HD22 LEU 112 HD12 LEU 112 15.400 4.217 -4.698 804 HD23 LEU 112 HD13 LEU 112 17.037 3.573 -4.823 805 H VAL 113 H VAL 113 14.095 0.322 -8.086 806 HA VAL 113 HA VAL 113 12.718 2.313 -9.846 807 HB VAL 113 HB VAL 113 12.383 -0.694 -9.671 808 HG11 VAL 113 HG11 VAL 113 10.557 -0.427 -11.293 809 HG12 VAL 113 HG12 VAL 113 10.739 1.327 -11.228 810 HG13 VAL 113 HG13 VAL 113 10.181 0.446 -9.807 811 HG21 VAL 113 HG21 VAL 113 13.037 -0.651 -12.002 812 HG22 VAL 113 HG22 VAL 113 14.237 0.260 -11.086 813 HG23 VAL 113 HG23 VAL 113 13.011 1.112 -12.023 814 H GLU 114 H GLU 114 12.603 0.397 -6.926 815 HA GLU 114 HA GLU 114 9.846 0.631 -6.294 816 HB2 GLU 114 HB2 GLU 114 11.515 -0.754 -5.031 817 HB3 GLU 114 HB3 GLU 114 12.160 0.733 -4.337 818 HG2 GLU 114 HG2 GLU 114 9.907 1.252 -3.418 819 HG3 GLU 114 HG3 GLU 114 9.315 -0.280 -4.060 820 H ASN 115 H ASN 115 12.558 2.849 -5.634 821 HA ASN 115 HA ASN 115 10.594 4.866 -4.661 822 HB2 ASN 115 HB3 ASN 115 13.626 4.807 -4.546 823 HB3 ASN 115 HB2 ASN 115 12.622 6.113 -3.914 824 HD21 ASN 115 HD21 ASN 115 14.246 4.753 -2.091 825 HD22 ASN 115 HD22 ASN 115 13.286 3.783 -1.082 826 H GLY 116 H GLY 116 11.375 3.978 -7.558 827 HA2 GLY 116 HA3 GLY 116 11.277 5.145 -9.607 828 HA3 GLY 116 HA2 GLY 116 11.145 6.648 -8.696 829 H GLY 117 H GLY 117 13.749 5.033 -7.440 830 HA2 GLY 117 HA2 GLY 117 16.056 5.430 -7.595 831 HA3 GLY 117 HA3 GLY 117 15.816 5.315 -9.339 832 H MET 118 H MET 118 14.450 7.717 -7.101 833 HA MET 118 HA MET 118 15.822 9.820 -8.722 834 HB2 MET 118 HB2 MET 118 13.290 9.970 -7.054 835 HB3 MET 118 HB3 MET 118 14.011 11.329 -7.919 836 HG2 MET 118 HG2 MET 118 12.998 8.756 -9.169 837 HG3 MET 118 HG3 MET 118 12.215 10.332 -9.264 838 HE1 MET 118 HE1 MET 118 13.557 12.340 -9.651 839 HE2 MET 118 HE2 MET 118 13.002 12.211 -11.319 840 HE3 MET 118 HE3 MET 118 14.698 12.556 -10.985 841 H PHE 119 H PHE 119 17.349 11.022 -7.695 842 HA PHE 119 HA PHE 119 17.163 11.483 -4.786 843 HB2 PHE 119 HB2 PHE 119 19.440 10.647 -4.358 844 HB3 PHE 119 HB3 PHE 119 18.419 9.349 -4.976 845 HD1 PHE 119 HD1 PHE 119 18.629 8.596 -7.332 846 HD2 PHE 119 HD2 PHE 119 21.276 11.530 -5.651 847 HE1 PHE 119 HE1 PHE 119 20.198 8.265 -9.225 848 HE2 PHE 119 HE2 PHE 119 22.845 11.199 -7.542 849 HZ PHE 119 HZ PHE 119 22.305 9.567 -9.330 850 H VAL 120 H VAL 120 18.612 13.242 -4.123 851 HA VAL 120 HA VAL 120 19.385 14.929 -6.460 852 HB VAL 120 HB VAL 120 19.393 16.778 -4.704 853 HG11 VAL 120 HG21 VAL 120 17.523 16.272 -6.338 854 HG12 VAL 120 HG22 VAL 120 17.013 17.086 -4.859 855 HG13 VAL 120 HG23 VAL 120 16.745 15.353 -5.049 856 HG21 VAL 120 HG11 VAL 120 17.883 14.691 -3.105 857 HG22 VAL 120 HG12 VAL 120 18.250 16.345 -2.614 858 HG23 VAL 120 HG13 VAL 120 19.550 15.164 -2.774 859 H CYS 121 H CYS 121 21.384 16.183 -6.268 860 HA CYS 121 HA CYS 121 23.347 15.218 -4.270 861 HB2 CYS 121 HB2 CYS 121 23.433 13.765 -6.389 862 HB3 CYS 121 HB3 CYS 121 24.034 15.203 -7.215 863 HG CYS 121 HG CYS 121 26.171 15.136 -5.820 864 H LYS 122 H LYS 122 25.410 16.582 -4.453 865 HA LYS 122 HA LYS 122 24.610 19.380 -4.924 866 HB2 LYS 122 HB2 LYS 122 27.062 18.113 -3.676 867 HB3 LYS 122 HB3 LYS 122 26.877 19.854 -3.895 868 HG2 LYS 122 HG2 LYS 122 24.683 19.662 -2.619 869 HG3 LYS 122 HG3 LYS 122 25.153 18.009 -2.222 870 HD2 LYS 122 HD2 LYS 122 27.280 18.908 -1.245 871 HD3 LYS 122 HD3 LYS 122 26.674 20.539 -1.526 872 HE2 LYS 122 HE2 LYS 122 24.729 20.076 -0.088 873 HE3 LYS 122 HE3 LYS 122 25.307 18.430 0.173 874 HZ1 LYS 122 HZ1 LYS 122 27.147 19.186 1.361 875 HZ2 LYS 122 HZ2 LYS 122 25.871 20.156 1.926 876 HZ3 LYS 122 HZ3 LYS 122 26.984 20.780 0.803 877 H THR 123 H THR 123 24.800 19.995 -7.030 878 HA THR 123 HA THR 123 26.271 18.901 -9.090 879 HB THR 123 HB THR 123 26.117 20.992 -10.226 880 HG1 THR 123 HG1 THR 123 25.574 22.427 -7.903 881 HG21 THR 123 HG21 THR 123 23.854 21.396 -10.028 882 HG22 THR 123 HG22 THR 123 23.906 21.422 -8.265 883 HG23 THR 123 HG23 THR 123 23.954 19.883 -9.126 884 H ARG 124 H ARG 124 27.497 20.773 -6.402 885 HA ARG 124 HA ARG 124 30.029 21.526 -7.443 886 HB2 ARG 124 HB2 ARG 124 29.137 22.293 -5.250 887 HB3 ARG 124 HB3 ARG 124 29.377 20.669 -4.605 888 HG2 ARG 124 HG2 ARG 124 31.806 20.850 -5.156 889 HG3 ARG 124 HG3 ARG 124 31.534 22.512 -5.683 890 HD2 ARG 124 HD2 ARG 124 30.639 23.030 -3.399 891 HD3 ARG 124 HD3 ARG 124 31.082 21.399 -2.897 892 HE ARG 124 HE ARG 124 33.225 23.111 -4.028 893 HH11 ARG 124 HH11 ARG 124 34.313 20.873 -2.723 894 HH12 ARG 124 HH12 ARG 124 34.517 21.344 -1.069 895 HH21 ARG 124 HH21 ARG 124 32.350 24.044 -1.294 896 HH22 ARG 124 HH22 ARG 124 33.407 23.140 -0.260 897 H HIS 125 H HIS 125 28.896 18.453 -6.107 898 HA HIS 125 HA HIS 125 31.609 17.296 -6.512 899 HB2 HIS 125 HB2 HIS 125 29.137 16.257 -5.102 900 HB3 HIS 125 HB3 HIS 125 30.600 15.297 -5.336 901 HD1 HIS 125 HD1 HIS 125 32.613 15.821 -3.857 902 HD2 HIS 125 HD2 HIS 125 29.491 18.534 -3.349 903 HE1 HIS 125 HE1 HIS 125 33.217 17.238 -1.848 904 H LEU 126 H LEU 126 28.712 17.665 -8.169 905 HA LEU 126 HA LEU 126 28.722 15.048 -9.494 906 HB2 LEU 126 HB2 LEU 126 27.235 17.601 -10.191 907 HB3 LEU 126 HB3 LEU 126 26.930 16.010 -10.886 908 HG LEU 126 HG LEU 126 26.589 16.824 -7.985 909 HD11 LEU 126 HD11 LEU 126 24.845 16.717 -10.290 910 HD12 LEU 126 HD12 LEU 126 24.489 17.286 -8.659 911 HD13 LEU 126 HD13 LEU 126 24.295 15.580 -9.059 912 HD21 LEU 126 HD21 LEU 126 27.212 14.643 -7.646 913 HD22 LEU 126 HD22 LEU 126 26.861 14.178 -9.311 914 HD23 LEU 126 HD23 LEU 126 25.548 14.330 -8.142 915 H VAL 127 H VAL 127 29.827 14.572 -11.352 916 HA VAL 127 HA VAL 127 31.081 16.858 -12.821 917 HB VAL 127 HB VAL 127 32.766 15.614 -11.505 918 HG11 VAL 127 HG21 VAL 127 32.262 13.203 -13.224 919 HG12 VAL 127 HG22 VAL 127 31.305 13.440 -11.762 920 HG13 VAL 127 HG23 VAL 127 33.060 13.303 -11.654 921 HG21 VAL 127 HG11 VAL 127 33.484 14.599 -14.151 922 HG22 VAL 127 HG12 VAL 127 34.248 15.868 -13.194 923 HG23 VAL 127 HG13 VAL 127 32.861 16.248 -14.215 924 H LEU 128 H LEU 128 30.934 16.757 -15.058 925 HA LEU 128 HA LEU 128 28.994 14.910 -16.183 926 HB2 LEU 128 HB2 LEU 128 30.833 16.953 -17.464 927 HB3 LEU 128 HB3 LEU 128 29.611 16.037 -18.346 928 HG LEU 128 HG LEU 128 27.948 16.927 -16.576 929 HD11 LEU 128 HD21 LEU 128 29.159 17.919 -14.882 930 HD12 LEU 128 HD22 LEU 128 28.922 19.333 -15.910 931 HD13 LEU 128 HD23 LEU 128 30.445 18.446 -15.969 932 HD21 LEU 128 HD11 LEU 128 27.435 18.762 -17.958 933 HD22 LEU 128 HD12 LEU 128 28.348 17.703 -19.032 934 HD23 LEU 128 HD13 LEU 128 29.133 19.100 -18.296 935 H ALA 129 H ALA 129 29.427 12.933 -17.048 936 HA ALA 129 HA ALA 129 32.074 11.818 -16.986 937 HB1 ALA 129 HB1 ALA 129 29.815 10.579 -16.909 938 HB2 ALA 129 HB2 ALA 129 31.094 9.847 -17.878 939 HB3 ALA 129 HB3 ALA 129 29.800 10.749 -18.664 940 H GLY 130 H GLY 130 30.219 13.470 -19.466 941 HA2 GLY 130 HA2 GLY 130 32.501 13.044 -21.355 942 HA3 GLY 130 HA3 GLY 130 30.835 13.275 -21.885 Start of MODEL 2 1 H GLN 16 H GLN 16 -3.599 12.923 -14.158 2 HA GLN 16 HA GLN 16 -4.978 14.687 -12.501 3 HB2 GLN 16 HB2 GLN 16 -3.621 12.496 -10.901 4 HB3 GLN 16 HB3 GLN 16 -4.220 14.007 -10.218 5 HG2 GLN 16 HG2 GLN 16 -6.495 13.466 -10.942 6 HG3 GLN 16 HG3 GLN 16 -5.919 11.993 -11.724 7 HE21 GLN 16 HE21 GLN 16 -7.873 11.795 -9.689 8 HE22 GLN 16 HE22 GLN 16 -7.180 11.105 -8.303 9 H HIS 17 H HIS 17 -1.893 13.068 -11.699 10 HA HIS 17 HA HIS 17 -0.532 15.656 -12.338 11 HB2 HIS 17 HB2 HIS 17 0.196 13.497 -10.336 12 HB3 HIS 17 HB3 HIS 17 1.215 14.886 -10.711 13 HD1 HIS 17 HD1 HIS 17 -1.938 16.314 -11.022 14 HD2 HIS 17 HD2 HIS 17 0.212 15.010 -7.699 15 HE1 HIS 17 HE1 HIS 17 -2.925 17.507 -9.019 16 H GLU 18 H GLU 18 2.099 14.696 -12.334 17 HA GLU 18 HA GLU 18 2.122 12.573 -14.424 18 HB2 GLU 18 HB2 GLU 18 3.489 15.275 -14.615 19 HB3 GLU 18 HB3 GLU 18 3.788 13.927 -15.714 20 HG2 GLU 18 HG2 GLU 18 1.110 15.279 -15.253 21 HG3 GLU 18 HG3 GLU 18 2.132 15.474 -16.677 22 H TRP 19 H TRP 19 4.424 11.775 -14.776 23 HA TRP 19 HA TRP 19 5.731 11.530 -12.135 24 HB2 TRP 19 HB2 TRP 19 5.216 9.571 -13.757 25 HB3 TRP 19 HB3 TRP 19 6.612 10.149 -14.667 26 HD1 TRP 19 HD1 TRP 19 5.658 8.797 -11.203 27 HE1 TRP 19 HE1 TRP 19 7.774 7.832 -10.091 28 HE3 TRP 19 HE3 TRP 19 9.162 10.159 -14.655 29 HZ2 TRP 19 HZ2 TRP 19 10.584 7.661 -10.601 30 HZ3 TRP 19 HZ3 TRP 19 11.549 9.583 -14.319 31 HH2 TRP 19 HH2 TRP 19 12.264 8.336 -12.298 32 H GLY 20 H GLY 20 7.940 12.084 -11.802 33 HA2 GLY 20 HA3 GLY 20 10.025 13.097 -12.327 34 HA3 GLY 20 HA2 GLY 20 9.465 13.324 -13.982 35 H GLU 21 H GLU 21 7.104 14.379 -11.834 36 HA GLU 21 HA GLU 21 7.651 17.177 -12.511 37 HB2 GLU 21 HB2 GLU 21 5.335 16.273 -12.479 38 HB3 GLU 21 HB3 GLU 21 5.487 15.989 -10.745 39 HG2 GLU 21 HG2 GLU 21 4.353 18.109 -11.071 40 HG3 GLU 21 HG3 GLU 21 5.973 18.440 -10.458 41 H LEU 22 H LEU 22 8.869 18.501 -11.265 42 HA LEU 22 HA LEU 22 9.634 17.621 -8.548 43 HB2 LEU 22 HB2 LEU 22 11.349 18.503 -10.138 44 HB3 LEU 22 HB3 LEU 22 10.521 20.060 -10.120 45 HG LEU 22 HG LEU 22 10.981 19.123 -7.417 46 HD11 LEU 22 HD21 LEU 22 12.960 18.044 -7.877 47 HD12 LEU 22 HD22 LEU 22 13.577 19.695 -7.815 48 HD13 LEU 22 HD23 LEU 22 13.225 18.944 -9.371 49 HD21 LEU 22 HD11 LEU 22 12.499 21.391 -7.822 50 HD22 LEU 22 HD12 LEU 22 10.787 21.384 -7.395 51 HD23 LEU 22 HD13 LEU 22 11.274 21.528 -9.083 52 H VAL 23 H VAL 23 9.166 18.854 -6.669 53 HA VAL 23 HA VAL 23 7.382 21.210 -7.014 54 HB VAL 23 HB VAL 23 5.812 20.334 -5.339 55 HG11 VAL 23 HG21 VAL 23 5.855 19.668 -7.929 56 HG12 VAL 23 HG22 VAL 23 4.645 19.009 -6.827 57 HG13 VAL 23 HG23 VAL 23 6.066 18.053 -7.251 58 HG21 VAL 23 HG11 VAL 23 7.547 17.848 -5.448 59 HG22 VAL 23 HG12 VAL 23 6.020 17.989 -4.577 60 HG23 VAL 23 HG13 VAL 23 7.412 18.949 -4.077 61 H GLN 24 H GLN 24 7.493 22.684 -5.259 62 HA GLN 24 HA GLN 24 9.828 22.238 -3.467 63 HB2 GLN 24 HB2 GLN 24 9.870 24.308 -4.779 64 HB3 GLN 24 HB3 GLN 24 8.287 24.762 -4.147 65 HG2 GLN 24 HG2 GLN 24 9.171 24.914 -1.889 66 HG3 GLN 24 HG3 GLN 24 10.734 24.291 -2.419 67 HE21 GLN 24 HE21 GLN 24 11.269 26.575 -1.331 68 HE22 GLN 24 HE22 GLN 24 11.389 27.857 -2.437 69 H LEU 25 H LEU 25 9.223 21.322 -1.556 70 HA LEU 25 HA LEU 25 6.550 21.582 -0.472 71 HB2 LEU 25 HB3 LEU 25 9.081 20.648 0.916 72 HB3 LEU 25 HB2 LEU 25 7.424 20.338 1.438 73 HG LEU 25 HG LEU 25 8.654 19.400 -1.174 74 HD11 LEU 25 HD11 LEU 25 9.209 18.339 1.218 75 HD12 LEU 25 HD12 LEU 25 8.961 17.326 -0.206 76 HD13 LEU 25 HD13 LEU 25 7.651 17.557 0.952 77 HD21 LEU 25 HD21 LEU 25 5.892 19.490 -0.096 78 HD22 LEU 25 HD22 LEU 25 6.375 17.961 -0.828 79 HD23 LEU 25 HD23 LEU 25 6.446 19.451 -1.770 80 H ASP 26 H ASP 26 9.656 23.174 0.146 81 HA ASP 26 HA ASP 26 8.181 25.276 1.634 82 HB2 ASP 26 HB2 ASP 26 9.955 23.328 2.845 83 HB3 ASP 26 HB3 ASP 26 10.603 24.958 3.035 84 HA PRO 27 HA PRO 27 10.986 28.126 -0.285 85 HB2 PRO 27 HB2 PRO 27 11.995 29.645 1.712 86 HB3 PRO 27 HB3 PRO 27 10.325 29.779 1.153 87 HG2 PRO 27 HG2 PRO 27 11.418 28.313 3.528 88 HG3 PRO 27 HG3 PRO 27 9.982 29.337 3.419 89 HD2 PRO 27 HD2 PRO 27 9.816 26.646 3.370 90 HD3 PRO 27 HD3 PRO 27 8.704 27.663 2.452 91 H GLN 28 H GLN 28 12.200 25.771 1.788 92 HA GLN 28 HA GLN 28 14.945 26.237 0.741 93 HB2 GLN 28 HB3 GLN 28 14.241 25.700 3.642 94 HB3 GLN 28 HB2 GLN 28 15.877 25.647 2.986 95 HG2 GLN 28 HG2 GLN 28 15.668 28.006 2.282 96 HG3 GLN 28 HG3 GLN 28 14.034 28.058 2.943 97 HE21 GLN 28 HE21 GLN 28 16.072 29.799 3.941 98 HE22 GLN 28 HE22 GLN 28 16.464 29.334 5.526 99 H THR 29 H THR 29 12.424 24.246 0.741 100 HA THR 29 HA THR 29 14.165 21.821 0.676 101 HB THR 29 HB THR 29 11.361 21.995 1.825 102 HG1 THR 29 HG1 THR 29 13.769 21.254 3.103 103 HG21 THR 29 HG21 THR 29 11.497 19.651 2.205 104 HG22 THR 29 HG22 THR 29 13.214 19.610 1.800 105 HG23 THR 29 HG23 THR 29 12.016 19.882 0.535 106 H VAL 30 H VAL 30 13.766 20.466 -1.069 107 HA VAL 30 HA VAL 30 11.432 21.149 -2.804 108 HB VAL 30 HB VAL 30 12.910 20.795 -4.783 109 HG11 VAL 30 HG21 VAL 30 12.547 23.054 -3.394 110 HG12 VAL 30 HG22 VAL 30 13.621 22.992 -4.791 111 HG13 VAL 30 HG23 VAL 30 14.287 22.892 -3.163 112 HG21 VAL 30 HG11 VAL 30 14.573 19.408 -3.410 113 HG22 VAL 30 HG12 VAL 30 15.205 20.945 -2.820 114 HG23 VAL 30 HG13 VAL 30 15.271 20.567 -4.540 115 H GLY 31 H GLY 31 10.747 19.350 -4.182 116 HA2 GLY 31 HA3 GLY 31 11.924 16.703 -3.651 117 HA3 GLY 31 HA2 GLY 31 10.281 16.932 -3.051 118 H VAL 32 H VAL 32 10.546 15.000 -4.917 119 HA VAL 32 HA VAL 32 9.200 16.213 -7.270 120 HB VAL 32 HB VAL 32 11.451 16.018 -8.073 121 HG11 VAL 32 HG21 VAL 32 11.452 13.153 -7.089 122 HG12 VAL 32 HG22 VAL 32 12.177 14.493 -6.199 123 HG13 VAL 32 HG23 VAL 32 12.807 14.042 -7.783 124 HG21 VAL 32 HG11 VAL 32 11.234 14.119 -9.735 125 HG22 VAL 32 HG12 VAL 32 9.858 15.221 -9.695 126 HG23 VAL 32 HG13 VAL 32 9.752 13.650 -8.902 127 H ILE 33 H ILE 33 7.622 14.856 -8.156 128 HA ILE 33 HA ILE 33 6.576 12.787 -6.473 129 HB ILE 33 HB ILE 33 6.002 13.487 -9.365 130 HG12 ILE 33 HG12 ILE 33 4.279 13.978 -6.935 131 HG13 ILE 33 HG13 ILE 33 5.518 15.131 -7.428 132 HG21 ILE 33 HG21 ILE 33 4.544 11.763 -9.485 133 HG22 ILE 33 HG22 ILE 33 3.912 12.093 -7.872 134 HG23 ILE 33 HG23 ILE 33 5.361 11.107 -8.067 135 HD11 ILE 33 HD11 ILE 33 3.969 15.993 -8.832 136 HD12 ILE 33 HD12 ILE 33 2.893 14.615 -8.602 137 HD13 ILE 33 HD13 ILE 33 4.184 14.535 -9.801 138 H VAL 34 H VAL 34 7.006 10.631 -6.423 139 HA VAL 34 HA VAL 34 8.652 9.489 -8.646 140 HB VAL 34 HB VAL 34 9.397 7.886 -6.671 141 HG11 VAL 34 HG21 VAL 34 10.869 10.299 -6.194 142 HG12 VAL 34 HG22 VAL 34 10.453 10.228 -7.906 143 HG13 VAL 34 HG23 VAL 34 11.344 8.902 -7.160 144 HG21 VAL 34 HG11 VAL 34 9.554 9.101 -4.533 145 HG22 VAL 34 HG12 VAL 34 7.869 8.917 -5.018 146 HG23 VAL 34 HG13 VAL 34 8.686 10.465 -5.237 147 H ARG 35 H ARG 35 6.240 8.860 -6.117 148 HA ARG 35 HA ARG 35 5.329 6.500 -7.718 149 HB2 ARG 35 HB2 ARG 35 6.246 6.097 -5.337 150 HB3 ARG 35 HB3 ARG 35 4.779 6.896 -4.773 151 HG2 ARG 35 HG2 ARG 35 3.409 5.258 -6.013 152 HG3 ARG 35 HG3 ARG 35 4.875 4.459 -6.579 153 HD2 ARG 35 HD2 ARG 35 5.495 3.857 -4.315 154 HD3 ARG 35 HD3 ARG 35 4.173 4.818 -3.651 155 HE ARG 35 HE ARG 35 2.847 3.043 -5.266 156 HH11 ARG 35 HH11 ARG 35 2.713 0.753 -5.028 157 HH12 ARG 35 HH12 ARG 35 3.357 0.042 -3.586 158 HH21 ARG 35 HH21 ARG 35 4.803 2.987 -2.463 159 HH22 ARG 35 HH22 ARG 35 4.540 1.307 -2.135 160 H LEU 36 H LEU 36 3.533 7.121 -8.826 161 HA LEU 36 HA LEU 36 1.796 9.242 -7.744 162 HB2 LEU 36 HB3 LEU 36 1.877 7.721 -10.353 163 HB3 LEU 36 HB2 LEU 36 0.545 8.802 -9.947 164 HG LEU 36 HG LEU 36 2.087 10.674 -9.696 165 HD11 LEU 36 HD21 LEU 36 4.140 8.499 -10.032 166 HD12 LEU 36 HD22 LEU 36 4.061 9.765 -8.807 167 HD13 LEU 36 HD23 LEU 36 4.533 10.163 -10.459 168 HD21 LEU 36 HD11 LEU 36 1.502 9.373 -12.096 169 HD22 LEU 36 HD12 LEU 36 3.231 9.710 -12.199 170 HD23 LEU 36 HD13 LEU 36 2.091 11.027 -11.927 171 H GLU 37 H GLU 37 -0.103 8.856 -6.706 172 HA GLU 37 HA GLU 37 -1.329 6.147 -6.969 173 HB2 GLU 37 HB3 GLU 37 -0.840 7.679 -4.396 174 HB3 GLU 37 HB2 GLU 37 -1.841 6.232 -4.517 175 HG2 GLU 37 HG3 GLU 37 0.169 5.044 -5.499 176 HG3 GLU 37 HG2 GLU 37 1.127 6.465 -5.081 177 H ARG 38 H ARG 38 -3.654 6.154 -6.442 178 HA ARG 38 HA ARG 38 -4.944 8.600 -7.386 179 HB2 ARG 38 HB2 ARG 38 -6.046 5.945 -6.424 180 HB3 ARG 38 HB3 ARG 38 -7.052 7.260 -7.033 181 HG2 ARG 38 HG2 ARG 38 -5.693 7.219 -9.154 182 HG3 ARG 38 HG3 ARG 38 -4.881 5.776 -8.543 183 HD2 ARG 38 HD2 ARG 38 -6.687 5.036 -9.961 184 HD3 ARG 38 HD3 ARG 38 -7.163 4.712 -8.294 185 HE ARG 38 HE ARG 38 -8.120 7.298 -9.024 186 HH11 ARG 38 HH11 ARG 38 -8.513 5.043 -11.277 187 HH12 ARG 38 HH12 ARG 38 -10.196 4.723 -11.016 188 HH21 ARG 38 HH21 ARG 38 -10.324 6.424 -7.997 189 HH22 ARG 38 HH22 ARG 38 -11.220 5.504 -9.158 190 H GLU 39 H GLU 39 -4.533 6.938 -4.299 191 HA GLU 39 HA GLU 39 -6.438 8.581 -2.864 192 HB2 GLU 39 HB2 GLU 39 -4.115 6.880 -1.915 193 HB3 GLU 39 HB3 GLU 39 -5.267 7.666 -0.835 194 HG2 GLU 39 HG2 GLU 39 -7.118 6.447 -1.963 195 HG3 GLU 39 HG3 GLU 39 -5.934 5.622 -2.976 196 H THR 40 H THR 40 -2.957 8.771 -3.492 197 HA THR 40 HA THR 40 -2.987 11.631 -2.910 198 HB THR 40 HB THR 40 -0.893 10.922 -1.256 199 HG1 THR 40 HG1 THR 40 -2.360 9.468 0.171 200 HG21 THR 40 HG21 THR 40 -3.162 12.439 -1.117 201 HG22 THR 40 HG22 THR 40 -2.055 12.188 0.232 202 HG23 THR 40 HG23 THR 40 -3.505 11.197 0.087 203 H PHE 41 H PHE 41 -0.521 12.401 -2.991 204 HA PHE 41 HA PHE 41 0.742 10.871 -5.230 205 HB2 PHE 41 HB2 PHE 41 0.768 13.828 -4.570 206 HB3 PHE 41 HB3 PHE 41 1.829 13.099 -5.777 207 HD1 PHE 41 HD1 PHE 41 -1.438 14.433 -5.128 208 HD2 PHE 41 HD2 PHE 41 0.724 11.723 -7.663 209 HE1 PHE 41 HE1 PHE 41 -3.271 14.533 -6.796 210 HE2 PHE 41 HE2 PHE 41 -1.108 11.822 -9.332 211 HZ PHE 41 HZ PHE 41 -3.106 13.227 -8.898 212 H GLN 42 H GLN 42 2.919 10.331 -5.042 213 HA GLN 42 HA GLN 42 4.171 10.951 -2.398 214 HB2 GLN 42 HB2 GLN 42 3.735 8.527 -2.974 215 HB3 GLN 42 HB3 GLN 42 4.883 8.702 -4.301 216 HG2 GLN 42 HG2 GLN 42 6.603 9.450 -2.634 217 HG3 GLN 42 HG3 GLN 42 5.452 9.088 -1.348 218 HE21 GLN 42 HE21 GLN 42 5.590 6.992 -0.532 219 HE22 GLN 42 HE22 GLN 42 6.212 5.656 -1.372 220 H VAL 43 H VAL 43 6.134 12.004 -2.380 221 HA VAL 43 HA VAL 43 7.581 12.303 -4.962 222 HB VAL 43 HB VAL 43 7.627 14.639 -4.889 223 HG11 VAL 43 HG21 VAL 43 5.403 15.232 -4.999 224 HG12 VAL 43 HG22 VAL 43 5.004 14.424 -3.483 225 HG13 VAL 43 HG23 VAL 43 5.220 13.478 -4.955 226 HG21 VAL 43 HG11 VAL 43 6.864 14.419 -1.963 227 HG22 VAL 43 HG12 VAL 43 7.025 15.942 -2.839 228 HG23 VAL 43 HG13 VAL 43 8.432 14.902 -2.610 229 H LEU 44 H LEU 44 9.850 12.924 -4.655 230 HA LEU 44 HA LEU 44 10.956 11.733 -2.208 231 HB2 LEU 44 HB2 LEU 44 11.965 11.304 -4.450 232 HB3 LEU 44 HB3 LEU 44 12.386 13.013 -4.558 233 HG LEU 44 HG LEU 44 13.475 12.509 -2.171 234 HD11 LEU 44 HD11 LEU 44 14.315 9.957 -3.346 235 HD12 LEU 44 HD12 LEU 44 12.612 9.974 -2.889 236 HD13 LEU 44 HD13 LEU 44 13.852 10.328 -1.686 237 HD21 LEU 44 HD21 LEU 44 14.850 13.385 -3.874 238 HD22 LEU 44 HD22 LEU 44 14.564 12.009 -4.938 239 HD23 LEU 44 HD23 LEU 44 15.593 11.827 -3.519 240 H ASN 45 H ASN 45 12.013 12.870 -0.578 241 HA ASN 45 HA ASN 45 11.587 15.804 -0.585 242 HB2 ASN 45 HB3 ASN 45 12.541 13.963 1.631 243 HB3 ASN 45 HB2 ASN 45 12.119 15.665 1.812 244 HD21 ASN 45 HD21 ASN 45 9.823 15.458 -0.099 245 HD22 ASN 45 HD22 ASN 45 8.605 14.628 0.739 246 H MET 46 H MET 46 13.259 17.253 -0.698 247 HA MET 46 HA MET 46 15.720 16.673 -1.832 248 HB2 MET 46 HB2 MET 46 14.945 18.968 -1.573 249 HB3 MET 46 HB3 MET 46 15.085 18.849 0.182 250 HG2 MET 46 HG2 MET 46 17.527 18.446 -0.064 251 HG3 MET 46 HG3 MET 46 17.366 18.643 -1.810 252 HE1 MET 46 HE1 MET 46 15.960 20.995 1.434 253 HE2 MET 46 HE2 MET 46 17.633 21.537 1.534 254 HE3 MET 46 HE3 MET 46 17.272 19.813 1.550 255 H TYR 47 H TYR 47 14.761 16.165 1.482 256 HA TYR 47 HA TYR 47 17.483 15.900 2.499 257 HB2 TYR 47 HB2 TYR 47 14.808 15.039 3.642 258 HB3 TYR 47 HB3 TYR 47 16.339 14.924 4.506 259 HD1 TYR 47 HD1 TYR 47 16.968 17.685 2.653 260 HD2 TYR 47 HD2 TYR 47 14.315 16.465 5.807 261 HE1 TYR 47 HE1 TYR 47 16.737 20.046 3.374 262 HE2 TYR 47 HE2 TYR 47 14.086 18.827 6.524 263 HH TYR 47 HH TYR 47 15.348 20.931 6.352 264 H GLY 48 H GLY 48 15.874 14.078 0.321 265 HA2 GLY 48 HA2 GLY 48 16.486 11.959 -0.538 266 HA3 GLY 48 HA3 GLY 48 17.544 11.737 0.854 267 H LYS 49 H LYS 49 14.098 12.568 0.950 268 HA LYS 49 HA LYS 49 13.519 9.833 1.998 269 HB2 LYS 49 HB2 LYS 49 12.700 12.443 3.310 270 HB3 LYS 49 HB3 LYS 49 12.154 10.843 3.812 271 HG2 LYS 49 HG2 LYS 49 14.526 10.190 4.203 272 HG3 LYS 49 HG3 LYS 49 15.025 11.827 3.778 273 HD2 LYS 49 HD2 LYS 49 14.889 11.770 6.171 274 HD3 LYS 49 HD3 LYS 49 13.460 12.645 5.618 275 HE2 LYS 49 HE2 LYS 49 12.270 10.354 5.660 276 HE3 LYS 49 HE3 LYS 49 13.646 9.799 6.614 277 HZ1 LYS 49 HZ1 LYS 49 12.045 10.529 8.148 278 HZ2 LYS 49 HZ2 LYS 49 11.718 11.948 7.273 279 HZ3 LYS 49 HZ3 LYS 49 13.198 11.772 8.088 280 H VAL 50 H VAL 50 11.595 9.025 1.235 281 HA VAL 50 HA VAL 50 9.995 10.810 -0.520 282 HB VAL 50 HB VAL 50 9.799 7.805 -0.161 283 HG11 VAL 50 HG11 VAL 50 8.463 7.839 -2.137 284 HG12 VAL 50 HG12 VAL 50 8.890 9.515 -2.484 285 HG13 VAL 50 HG13 VAL 50 7.833 9.138 -1.125 286 HG21 VAL 50 HG21 VAL 50 10.926 8.745 -2.670 287 HG22 VAL 50 HG22 VAL 50 11.573 7.561 -1.534 288 HG23 VAL 50 HG23 VAL 50 11.899 9.278 -1.299 289 H VAL 51 H VAL 51 7.980 11.490 0.085 290 HA VAL 51 HA VAL 51 6.613 10.041 2.302 291 HB VAL 51 HB VAL 51 6.006 12.190 3.344 292 HG11 VAL 51 HG11 VAL 51 8.798 11.270 3.010 293 HG12 VAL 51 HG12 VAL 51 7.874 11.550 4.486 294 HG13 VAL 51 HG13 VAL 51 8.622 12.906 3.643 295 HG21 VAL 51 HG21 VAL 51 7.614 14.126 2.393 296 HG22 VAL 51 HG22 VAL 51 5.981 13.871 1.776 297 HG23 VAL 51 HG23 VAL 51 7.367 13.217 0.901 298 H THR 52 H THR 52 4.263 10.523 2.362 299 HA THR 52 HA THR 52 3.207 10.783 -0.369 300 HB THR 52 HB THR 52 1.704 10.388 2.236 301 HG1 THR 52 HG1 THR 52 2.926 8.602 0.426 302 HG21 THR 52 HG21 THR 52 0.838 9.514 -0.508 303 HG22 THR 52 HG22 THR 52 0.549 11.168 0.028 304 HG23 THR 52 HG23 THR 52 -0.149 9.816 0.922 305 H VAL 53 H VAL 53 1.749 12.427 -1.035 306 HA VAL 53 HA VAL 53 1.418 14.727 0.835 307 HB VAL 53 HB VAL 53 2.002 16.297 -0.944 308 HG11 VAL 53 HG11 VAL 53 3.900 14.170 -0.088 309 HG12 VAL 53 HG12 VAL 53 3.981 15.915 0.156 310 HG13 VAL 53 HG13 VAL 53 4.433 15.221 -1.400 311 HG21 VAL 53 HG21 VAL 53 3.130 14.317 -2.784 312 HG22 VAL 53 HG22 VAL 53 2.105 15.711 -3.128 313 HG23 VAL 53 HG23 VAL 53 1.377 14.183 -2.633 314 H ARG 54 H ARG 54 -0.462 16.023 0.366 315 HA ARG 54 HA ARG 54 -2.599 14.494 -0.949 316 HB2 ARG 54 HB2 ARG 54 -2.632 17.201 0.423 317 HB3 ARG 54 HB3 ARG 54 -4.060 16.326 -0.131 318 HG2 ARG 54 HG2 ARG 54 -3.441 14.430 1.358 319 HG3 ARG 54 HG3 ARG 54 -2.070 15.369 1.950 320 HD2 ARG 54 HD2 ARG 54 -4.986 16.184 2.155 321 HD3 ARG 54 HD3 ARG 54 -4.001 15.562 3.479 322 HE ARG 54 HE ARG 54 -2.791 17.891 2.238 323 HH11 ARG 54 HH11 ARG 54 -5.690 17.216 3.882 324 HH12 ARG 54 HH12 ARG 54 -5.484 18.456 5.075 325 HH21 ARG 54 HH21 ARG 54 -2.292 19.309 4.021 326 HH22 ARG 54 HH22 ARG 54 -3.561 19.641 5.153 327 H HIS 55 H HIS 55 -3.998 15.534 -2.600 328 HA HIS 55 HA HIS 55 -2.554 16.496 -4.830 329 HB2 HIS 55 HB2 HIS 55 -5.478 16.998 -4.193 330 HB3 HIS 55 HB3 HIS 55 -4.733 17.074 -5.790 331 HD1 HIS 55 HD1 HIS 55 -6.807 15.100 -5.925 332 HD2 HIS 55 HD2 HIS 55 -3.162 14.090 -4.173 333 HE1 HIS 55 HE1 HIS 55 -6.667 12.572 -5.973 334 H GLN 56 H GLN 56 -4.327 18.293 -2.318 335 HA GLN 56 HA GLN 56 -3.568 20.867 -3.525 336 HB2 GLN 56 HB2 GLN 56 -4.908 20.293 -0.865 337 HB3 GLN 56 HB3 GLN 56 -4.810 21.859 -1.669 338 HG2 GLN 56 HG2 GLN 56 -6.185 19.401 -2.797 339 HG3 GLN 56 HG3 GLN 56 -7.006 20.772 -2.052 340 HE21 GLN 56 HE21 GLN 56 -6.598 19.605 -5.017 341 HE22 GLN 56 HE22 GLN 56 -6.381 21.031 -5.911 342 H ALA 57 H ALA 57 -1.781 18.676 -1.993 343 HA ALA 57 HA ALA 57 -0.384 20.650 -0.240 344 HB1 ALA 57 HB1 ALA 57 0.118 17.673 -0.303 345 HB2 ALA 57 HB2 ALA 57 -1.175 18.373 0.670 346 HB3 ALA 57 HB3 ALA 57 0.503 18.818 0.982 347 H VAL 58 H VAL 58 -0.209 20.286 -3.265 348 HA VAL 58 HA VAL 58 2.728 19.728 -3.394 349 HB VAL 58 HB VAL 58 1.903 19.660 -6.007 350 HG11 VAL 58 HG11 VAL 58 1.919 17.342 -4.052 351 HG12 VAL 58 HG12 VAL 58 3.349 18.035 -4.817 352 HG13 VAL 58 HG13 VAL 58 2.128 17.226 -5.800 353 HG21 VAL 58 HG21 VAL 58 -0.457 19.830 -5.487 354 HG22 VAL 58 HG22 VAL 58 -0.328 18.548 -4.282 355 HG23 VAL 58 HG23 VAL 58 -0.128 18.174 -5.994 356 H THR 59 H THR 59 3.949 21.111 -4.892 357 HA THR 59 HA THR 59 2.614 23.695 -5.539 358 HB THR 59 HB THR 59 4.295 24.997 -4.491 359 HG1 THR 59 HG1 THR 59 6.252 24.286 -4.423 360 HG21 THR 59 HG21 THR 59 4.252 24.279 -2.170 361 HG22 THR 59 HG22 THR 59 3.889 22.622 -2.654 362 HG23 THR 59 HG23 THR 59 2.698 23.897 -2.910 363 H ARG 60 H ARG 60 3.816 24.925 -7.191 364 HA ARG 60 HA ARG 60 5.773 23.256 -8.710 365 HB2 ARG 60 HB2 ARG 60 3.458 24.841 -9.867 366 HB3 ARG 60 HB3 ARG 60 4.702 24.023 -10.813 367 HG2 ARG 60 HG2 ARG 60 4.045 21.869 -9.706 368 HG3 ARG 60 HG3 ARG 60 2.718 22.726 -8.921 369 HD2 ARG 60 HD2 ARG 60 3.142 22.442 -11.913 370 HD3 ARG 60 HD3 ARG 60 1.907 21.624 -10.956 371 HE ARG 60 HE ARG 60 1.902 24.588 -10.926 372 HH11 ARG 60 HH11 ARG 60 -0.545 24.048 -10.025 373 HH12 ARG 60 HH12 ARG 60 -1.562 23.644 -11.368 374 HH21 ARG 60 HH21 ARG 60 1.081 23.004 -13.519 375 HH22 ARG 60 HH22 ARG 60 -0.642 23.053 -13.346 376 H LYS 61 H LYS 61 7.496 24.412 -9.562 377 HA LYS 61 HA LYS 61 7.399 27.385 -9.257 378 HB2 LYS 61 HB2 LYS 61 8.749 26.292 -7.447 379 HB3 LYS 61 HB3 LYS 61 9.802 25.623 -8.694 380 HG2 LYS 61 HG2 LYS 61 10.295 27.925 -9.486 381 HG3 LYS 61 HG3 LYS 61 9.286 28.571 -8.192 382 HD2 LYS 61 HD2 LYS 61 10.764 27.379 -6.541 383 HD3 LYS 61 HD3 LYS 61 11.824 26.942 -7.881 384 HE2 LYS 61 HE2 LYS 61 12.782 28.924 -7.006 385 HE3 LYS 61 HE3 LYS 61 11.872 29.470 -8.415 386 HZ1 LYS 61 HZ1 LYS 61 10.193 29.404 -6.148 387 HZ2 LYS 61 HZ2 LYS 61 10.616 30.729 -7.122 388 HZ3 LYS 61 HZ3 LYS 61 11.582 30.309 -5.790 389 H LYS 62 H LYS 62 7.335 28.045 -11.371 390 HA LYS 62 HA LYS 62 9.171 26.698 -13.303 391 HB2 LYS 62 HB2 LYS 62 6.735 28.442 -13.780 392 HB3 LYS 62 HB3 LYS 62 7.745 27.752 -15.052 393 HG2 LYS 62 HG2 LYS 62 7.254 25.474 -14.131 394 HG3 LYS 62 HG3 LYS 62 6.141 26.219 -12.984 395 HD2 LYS 62 HD2 LYS 62 4.876 27.188 -14.912 396 HD3 LYS 62 HD3 LYS 62 5.940 26.309 -16.010 397 HE2 LYS 62 HE2 LYS 62 4.428 24.889 -13.817 398 HE3 LYS 62 HE3 LYS 62 3.689 25.196 -15.388 399 HZ1 LYS 62 HZ1 LYS 62 4.780 23.020 -15.263 400 HZ2 LYS 62 HZ2 LYS 62 6.268 23.786 -14.974 401 HZ3 LYS 62 HZ3 LYS 62 5.467 24.011 -16.456 402 H ASP 63 H ASP 63 9.510 29.063 -11.247 403 HA ASP 63 HA ASP 63 10.015 31.457 -12.658 404 HB2 ASP 63 HB2 ASP 63 11.437 30.273 -10.257 405 HB3 ASP 63 HB3 ASP 63 11.685 31.923 -10.830 406 H ASN 64 H ASN 64 12.074 28.597 -12.218 407 HA ASN 64 HA ASN 64 13.935 29.769 -14.250 408 HB2 ASN 64 HB3 ASN 64 14.851 29.420 -11.889 409 HB3 ASN 64 HB2 ASN 64 14.678 27.689 -12.183 410 HD21 ASN 64 HD21 ASN 64 17.171 27.819 -11.928 411 HD22 ASN 64 HD22 ASN 64 18.071 28.152 -13.328 412 H ARG 65 H ARG 65 12.298 28.721 -15.755 413 HA ARG 65 HA ARG 65 11.855 25.928 -15.876 414 HB2 ARG 65 HB2 ARG 65 10.664 27.611 -17.277 415 HB3 ARG 65 HB3 ARG 65 12.138 27.837 -18.216 416 HG2 ARG 65 HG2 ARG 65 10.803 26.261 -19.433 417 HG3 ARG 65 HG3 ARG 65 12.089 25.330 -18.665 418 HD2 ARG 65 HD2 ARG 65 10.540 24.784 -16.795 419 HD3 ARG 65 HD3 ARG 65 9.255 25.653 -17.632 420 HE ARG 65 HE ARG 65 9.988 22.969 -18.176 421 HH11 ARG 65 HH11 ARG 65 8.698 25.822 -19.518 422 HH12 ARG 65 HH12 ARG 65 8.494 25.163 -21.107 423 HH21 ARG 65 HH21 ARG 65 10.051 22.159 -20.352 424 HH22 ARG 65 HH22 ARG 65 9.260 23.090 -21.579 425 H PHE 66 H PHE 66 14.514 27.883 -17.206 426 HA PHE 66 HA PHE 66 15.813 25.762 -18.615 427 HB2 PHE 66 HB2 PHE 66 16.950 28.262 -17.328 428 HB3 PHE 66 HB3 PHE 66 17.853 27.204 -18.413 429 HD1 PHE 66 HD1 PHE 66 15.269 29.771 -18.158 430 HD2 PHE 66 HD2 PHE 66 17.150 26.944 -20.789 431 HE1 PHE 66 HE1 PHE 66 14.286 30.936 -20.114 432 HE2 PHE 66 HE2 PHE 66 16.168 28.110 -22.745 433 HZ PHE 66 HZ PHE 66 14.736 30.107 -22.407 434 H ALA 67 H ALA 67 16.105 26.906 -15.261 435 HA ALA 67 HA ALA 67 17.285 25.976 -13.445 436 HB1 ALA 67 HB1 ALA 67 15.679 24.355 -13.170 437 HB2 ALA 67 HB2 ALA 67 17.021 23.303 -13.623 438 HB3 ALA 67 HB3 ALA 67 15.828 23.780 -14.830 439 H VAL 68 H VAL 68 19.395 26.663 -14.299 440 HA VAL 68 HA VAL 68 21.020 24.322 -15.205 441 HB VAL 68 HB VAL 68 22.366 25.836 -16.580 442 HG11 VAL 68 HG11 VAL 68 19.458 26.393 -17.194 443 HG12 VAL 68 HG12 VAL 68 20.178 24.799 -17.428 444 HG13 VAL 68 HG13 VAL 68 20.788 26.185 -18.333 445 HG21 VAL 68 HG21 VAL 68 22.131 27.860 -15.212 446 HG22 VAL 68 HG22 VAL 68 20.419 27.956 -15.620 447 HG23 VAL 68 HG23 VAL 68 21.638 28.194 -16.872 448 H ALA 69 H ALA 69 23.321 24.490 -14.551 449 HA ALA 69 HA ALA 69 23.887 26.430 -12.384 450 HB1 ALA 69 HB1 ALA 69 22.933 24.562 -11.162 451 HB2 ALA 69 HB2 ALA 69 24.677 24.561 -10.900 452 HB3 ALA 69 HB3 ALA 69 23.955 23.419 -12.034 453 H LEU 70 H LEU 70 26.129 26.786 -12.105 454 HA LEU 70 HA LEU 70 27.795 25.801 -14.340 455 HB2 LEU 70 HB3 LEU 70 27.751 28.234 -13.678 456 HB3 LEU 70 HB2 LEU 70 28.524 27.777 -12.161 457 HG LEU 70 HG LEU 70 30.395 26.762 -13.460 458 HD11 LEU 70 HD11 LEU 70 30.494 27.495 -15.912 459 HD12 LEU 70 HD12 LEU 70 28.775 27.859 -15.768 460 HD13 LEU 70 HD13 LEU 70 29.348 26.208 -15.535 461 HD21 LEU 70 HD21 LEU 70 30.792 29.253 -14.654 462 HD22 LEU 70 HD22 LEU 70 31.246 28.807 -13.009 463 HD23 LEU 70 HD23 LEU 70 29.697 29.593 -13.313 464 H ASP 71 H ASP 71 29.506 24.392 -14.070 465 HA ASP 71 HA ASP 71 29.707 23.055 -11.444 466 HB2 ASP 71 HB3 ASP 71 29.628 21.825 -13.689 467 HB3 ASP 71 HB2 ASP 71 31.274 22.404 -13.945 468 H SER 72 H SER 72 31.341 23.436 -10.027 469 HA SER 72 HA SER 72 33.101 25.601 -10.192 470 HB2 SER 72 HB2 SER 72 32.612 24.231 -8.136 471 HB3 SER 72 HB3 SER 72 33.704 22.996 -8.764 472 HG SER 72 HG SER 72 34.485 25.691 -8.470 473 H GLU 73 H GLU 73 33.348 22.521 -11.767 474 HA GLU 73 HA GLU 73 36.232 22.818 -12.292 475 HB2 GLU 73 HB2 GLU 73 34.988 20.585 -11.972 476 HB3 GLU 73 HB3 GLU 73 34.368 20.836 -13.604 477 HG2 GLU 73 HG2 GLU 73 36.711 21.054 -14.425 478 HG3 GLU 73 HG3 GLU 73 37.289 20.701 -12.797 479 H GLN 74 H GLN 74 34.161 24.806 -13.296 480 HA GLN 74 HA GLN 74 33.877 26.094 -15.231 481 HB2 GLN 74 HB2 GLN 74 36.225 24.440 -16.215 482 HB3 GLN 74 HB3 GLN 74 35.624 25.918 -16.966 483 HG2 GLN 74 HG2 GLN 74 36.084 27.149 -14.855 484 HG3 GLN 74 HG3 GLN 74 36.750 25.672 -14.159 485 HE21 GLN 74 HE21 GLN 74 38.396 27.976 -14.450 486 HE22 GLN 74 HE22 GLN 74 39.578 27.646 -15.623 487 H ASN 75 H ASN 75 32.289 23.737 -14.904 488 HA ASN 75 HA ASN 75 31.936 22.972 -17.778 489 HB2 ASN 75 HB2 ASN 75 31.338 21.224 -15.371 490 HB3 ASN 75 HB3 ASN 75 31.183 20.767 -17.067 491 HD21 ASN 75 HD21 ASN 75 32.883 19.231 -15.453 492 HD22 ASN 75 HD22 ASN 75 34.488 19.503 -15.932 493 H ASN 76 H ASN 76 29.799 22.972 -18.532 494 HA ASN 76 HA ASN 76 27.889 24.454 -16.834 495 HB2 ASN 76 HB2 ASN 76 27.729 23.574 -19.733 496 HB3 ASN 76 HB3 ASN 76 26.537 24.584 -18.915 497 HD21 ASN 76 HD21 ASN 76 27.945 25.593 -21.171 498 HD22 ASN 76 HD22 ASN 76 28.973 26.838 -20.650 499 H ILE 77 H ILE 77 26.061 23.547 -15.959 500 HA ILE 77 HA ILE 77 25.505 20.687 -16.644 501 HB ILE 77 HB ILE 77 25.187 22.047 -13.950 502 HG12 ILE 77 HG13 ILE 77 27.148 19.912 -14.840 503 HG13 ILE 77 HG12 ILE 77 27.553 21.616 -14.637 504 HG21 ILE 77 HG21 ILE 77 23.934 20.274 -13.348 505 HG22 ILE 77 HG22 ILE 77 25.155 19.156 -13.955 506 HG23 ILE 77 HG23 ILE 77 23.911 19.777 -15.039 507 HD11 ILE 77 HD11 ILE 77 26.289 20.029 -12.403 508 HD12 ILE 77 HD12 ILE 77 27.193 21.541 -12.300 509 HD13 ILE 77 HD13 ILE 77 28.035 20.031 -12.649 510 H HIS 78 H HIS 78 23.371 20.213 -17.113 511 HA HIS 78 HA HIS 78 21.423 22.465 -16.812 512 HB2 HIS 78 HB3 HIS 78 21.424 20.301 -18.936 513 HB3 HIS 78 HB2 HIS 78 20.333 21.684 -18.845 514 HD1 HIS 78 HD1 HIS 78 21.790 24.103 -18.717 515 HD2 HIS 78 HD2 HIS 78 23.561 20.827 -20.590 516 HE1 HIS 78 HE1 HIS 78 23.632 25.029 -20.188 517 H VAL 79 H VAL 79 19.092 21.620 -16.759 518 HA VAL 79 HA VAL 79 18.808 19.773 -14.581 519 HB VAL 79 HB VAL 79 17.101 21.434 -14.893 520 HG11 VAL 79 HG21 VAL 79 16.894 20.264 -17.676 521 HG12 VAL 79 HG22 VAL 79 17.300 21.920 -17.229 522 HG13 VAL 79 HG23 VAL 79 15.659 21.321 -16.994 523 HG21 VAL 79 HG11 VAL 79 15.305 20.083 -14.462 524 HG22 VAL 79 HG12 VAL 79 16.529 18.814 -14.480 525 HG23 VAL 79 HG13 VAL 79 15.553 19.118 -15.918 526 H LYS 80 H LYS 80 18.915 19.372 -18.042 527 HA LYS 80 HA LYS 80 18.208 16.487 -17.684 528 HB2 LYS 80 HB2 LYS 80 16.694 17.824 -19.190 529 HB3 LYS 80 HB3 LYS 80 18.081 18.106 -20.243 530 HG2 LYS 80 HG3 LYS 80 18.364 15.655 -20.500 531 HG3 LYS 80 HG2 LYS 80 16.944 15.397 -19.486 532 HD2 LYS 80 HD2 LYS 80 15.578 16.691 -21.108 533 HD3 LYS 80 HD3 LYS 80 16.999 16.875 -22.135 534 HE2 LYS 80 HE2 LYS 80 16.929 14.700 -22.847 535 HE3 LYS 80 HE3 LYS 80 16.354 14.101 -21.291 536 HZ1 LYS 80 HZ1 LYS 80 14.852 15.031 -23.588 537 HZ2 LYS 80 HZ2 LYS 80 14.271 15.564 -22.082 538 HZ3 LYS 80 HZ3 LYS 80 14.427 13.901 -22.396 539 H ASP 81 H ASP 81 20.357 15.817 -17.201 540 HA ASP 81 HA ASP 81 22.071 15.513 -19.556 541 HB2 ASP 81 HB2 ASP 81 22.591 17.811 -18.470 542 HB3 ASP 81 HB3 ASP 81 23.315 16.870 -17.166 543 H ILE 82 H ILE 82 24.222 14.361 -18.740 544 HA ILE 82 HA ILE 82 23.386 12.384 -16.655 545 HB ILE 82 HB ILE 82 25.296 11.982 -18.978 546 HG12 ILE 82 HG13 ILE 82 22.483 10.921 -18.586 547 HG13 ILE 82 HG12 ILE 82 22.893 12.279 -19.635 548 HG21 ILE 82 HG21 ILE 82 25.705 10.604 -16.916 549 HG22 ILE 82 HG22 ILE 82 25.258 9.643 -18.325 550 HG23 ILE 82 HG23 ILE 82 24.065 9.974 -17.068 551 HD11 ILE 82 HD11 ILE 82 22.766 10.202 -20.944 552 HD12 ILE 82 HD12 ILE 82 23.962 9.450 -19.888 553 HD13 ILE 82 HD13 ILE 82 24.423 10.806 -20.918 554 H VAL 83 H VAL 83 24.695 12.222 -14.884 555 HA VAL 83 HA VAL 83 27.454 13.348 -15.078 556 HB VAL 83 HB VAL 83 27.190 14.425 -12.911 557 HG11 VAL 83 HG21 VAL 83 25.759 16.202 -13.560 558 HG12 VAL 83 HG22 VAL 83 24.706 15.126 -14.479 559 HG13 VAL 83 HG23 VAL 83 26.318 15.512 -15.084 560 HG21 VAL 83 HG11 VAL 83 24.807 12.708 -12.835 561 HG22 VAL 83 HG12 VAL 83 24.495 14.360 -12.304 562 HG23 VAL 83 HG13 VAL 83 25.737 13.397 -11.504 563 H LYS 84 H LYS 84 28.984 12.318 -13.689 564 HA LYS 84 HA LYS 84 28.106 9.630 -12.769 565 HB2 LYS 84 HB2 LYS 84 30.053 9.763 -14.302 566 HB3 LYS 84 HB3 LYS 84 30.901 10.761 -13.120 567 HG2 LYS 84 HG3 LYS 84 30.773 8.931 -11.474 568 HG3 LYS 84 HG2 LYS 84 29.906 7.934 -12.641 569 HD2 LYS 84 HD2 LYS 84 31.899 8.234 -14.196 570 HD3 LYS 84 HD3 LYS 84 32.757 8.936 -12.824 571 HE2 LYS 84 HE3 LYS 84 31.503 6.500 -11.972 572 HE3 LYS 84 HE2 LYS 84 32.417 6.177 -13.445 573 HZ1 LYS 84 HZ1 LYS 84 33.736 7.858 -11.481 574 HZ2 LYS 84 HZ2 LYS 84 34.364 6.602 -12.438 575 HZ3 LYS 84 HZ3 LYS 84 33.505 6.243 -11.018 576 H VAL 85 H VAL 85 28.091 9.105 -10.612 577 HA VAL 85 HA VAL 85 28.618 11.271 -8.686 578 HB VAL 85 HB VAL 85 27.774 8.452 -8.008 579 HG11 VAL 85 HG21 VAL 85 26.389 10.217 -6.432 580 HG12 VAL 85 HG22 VAL 85 27.904 11.084 -6.678 581 HG13 VAL 85 HG23 VAL 85 27.918 9.466 -5.975 582 HG21 VAL 85 HG11 VAL 85 26.255 9.116 -9.756 583 HG22 VAL 85 HG12 VAL 85 26.095 10.736 -9.077 584 HG23 VAL 85 HG13 VAL 85 25.414 9.351 -8.223 585 H ILE 86 H ILE 86 30.667 11.519 -7.951 586 HA ILE 86 HA ILE 86 32.291 9.047 -7.499 587 HB ILE 86 HB ILE 86 33.024 10.635 -9.380 588 HG12 ILE 86 HG12 ILE 86 35.041 10.261 -7.156 589 HG13 ILE 86 HG13 ILE 86 34.462 8.925 -8.151 590 HG21 ILE 86 HG21 ILE 86 32.585 12.601 -7.589 591 HG22 ILE 86 HG22 ILE 86 33.746 12.759 -8.907 592 HG23 ILE 86 HG23 ILE 86 34.300 12.322 -7.291 593 HD11 ILE 86 HD11 ILE 86 36.576 9.876 -9.036 594 HD12 ILE 86 HD12 ILE 86 35.784 11.443 -9.207 595 HD13 ILE 86 HD13 ILE 86 35.246 10.071 -10.178 596 H ASP 87 H ASP 87 30.926 11.871 -6.136 597 HA ASP 87 HA ASP 87 32.682 11.600 -3.729 598 HB2 ASP 87 HB2 ASP 87 30.997 13.932 -4.689 599 HB3 ASP 87 HB3 ASP 87 31.858 13.896 -3.151 600 H GLY 88 H GLY 88 31.613 11.681 -1.632 601 HA2 GLY 88 HA2 GLY 88 29.797 11.372 -0.141 602 HA3 GLY 88 HA3 GLY 88 28.693 11.489 -1.512 603 HA PRO 89 HA PRO 89 29.034 6.995 -0.090 604 HB2 PRO 89 HB3 PRO 89 26.373 6.614 0.200 605 HB3 PRO 89 HB2 PRO 89 27.404 7.217 1.501 606 HG2 PRO 89 HG2 PRO 89 25.621 8.737 -0.368 607 HG3 PRO 89 HG3 PRO 89 25.827 8.933 1.375 608 HD2 PRO 89 HD3 PRO 89 27.034 10.576 -0.392 609 HD3 PRO 89 HD2 PRO 89 27.794 10.135 1.139 610 H HIS 90 H HIS 90 27.366 8.803 -2.523 611 HA HIS 90 HA HIS 90 26.554 6.401 -4.030 612 HB2 HIS 90 HB3 HIS 90 26.417 9.354 -4.721 613 HB3 HIS 90 HB2 HIS 90 25.747 8.056 -5.709 614 HD1 HIS 90 HD1 HIS 90 25.038 10.151 -2.756 615 HD2 HIS 90 HD2 HIS 90 23.565 6.608 -4.386 616 HE1 HIS 90 HE1 HIS 90 22.823 9.704 -1.614 617 H SER 91 H SER 91 29.270 8.414 -3.674 618 HA SER 91 HA SER 91 30.523 8.701 -6.083 619 HB2 SER 91 HB3 SER 91 31.759 9.314 -4.168 620 HB3 SER 91 HB2 SER 91 31.590 7.716 -3.442 621 HG SER 91 HG SER 91 33.661 8.008 -4.337 622 H GLY 92 H GLY 92 31.257 7.385 -7.708 623 HA2 GLY 92 HA2 GLY 92 32.182 5.338 -8.596 624 HA3 GLY 92 HA3 GLY 92 31.603 4.488 -7.163 625 H ARG 93 H ARG 93 29.138 6.489 -8.093 626 HA ARG 93 HA ARG 93 27.932 4.363 -9.822 627 HB2 ARG 93 HB3 ARG 93 26.563 6.132 -7.773 628 HB3 ARG 93 HB2 ARG 93 25.751 4.965 -8.816 629 HG2 ARG 93 HG2 ARG 93 27.134 3.153 -7.825 630 HG3 ARG 93 HG3 ARG 93 27.882 4.333 -6.749 631 HD2 ARG 93 HD2 ARG 93 25.567 4.899 -5.906 632 HD3 ARG 93 HD3 ARG 93 24.961 3.533 -6.841 633 HE ARG 93 HE ARG 93 26.680 3.352 -4.433 634 HH11 ARG 93 HH11 ARG 93 24.546 1.805 -3.836 635 HH12 ARG 93 HH12 ARG 93 24.786 0.254 -4.566 636 HH21 ARG 93 HH21 ARG 93 27.208 1.376 -6.780 637 HH22 ARG 93 HH22 ARG 93 26.293 0.010 -6.234 638 H GLU 94 H GLU 94 26.436 5.135 -11.452 639 HA GLU 94 HA GLU 94 26.979 7.965 -12.238 640 HB2 GLU 94 HB2 GLU 94 26.027 5.640 -13.941 641 HB3 GLU 94 HB3 GLU 94 26.420 7.257 -14.523 642 HG2 GLU 94 HG3 GLU 94 28.744 6.982 -13.778 643 HG3 GLU 94 HG2 GLU 94 28.361 5.385 -13.133 644 H GLY 95 H GLY 95 25.231 9.338 -12.659 645 HA2 GLY 95 HA3 GLY 95 22.498 8.184 -12.399 646 HA3 GLY 95 HA2 GLY 95 22.958 9.532 -11.358 647 H GLU 96 H GLU 96 20.819 9.779 -13.152 648 HA GLU 96 HA GLU 96 21.963 11.506 -15.308 649 HB2 GLU 96 HB2 GLU 96 19.242 10.175 -15.130 650 HB3 GLU 96 HB3 GLU 96 19.791 11.199 -16.458 651 HG2 GLU 96 HG2 GLU 96 21.677 9.617 -16.852 652 HG3 GLU 96 HG3 GLU 96 21.035 8.574 -15.583 653 H ILE 97 H ILE 97 21.284 13.645 -15.427 654 HA ILE 97 HA ILE 97 19.987 14.720 -13.018 655 HB ILE 97 HB ILE 97 21.135 16.051 -15.490 656 HG12 ILE 97 HG13 ILE 97 22.105 15.963 -12.616 657 HG13 ILE 97 HG12 ILE 97 22.748 14.965 -13.920 658 HG21 ILE 97 HG21 ILE 97 20.843 17.831 -13.272 659 HG22 ILE 97 HG22 ILE 97 19.282 17.064 -13.564 660 HG23 ILE 97 HG23 ILE 97 20.090 17.941 -14.863 661 HD11 ILE 97 HD11 ILE 97 23.820 16.734 -14.931 662 HD12 ILE 97 HD12 ILE 97 23.832 17.338 -13.274 663 HD13 ILE 97 HD13 ILE 97 22.607 17.902 -14.411 664 H ARG 98 H ARG 98 17.791 14.654 -12.957 665 HA ARG 98 HA ARG 98 16.283 14.997 -15.504 666 HB2 ARG 98 HB2 ARG 98 15.465 13.932 -12.787 667 HB3 ARG 98 HB3 ARG 98 14.334 14.185 -14.117 668 HG2 ARG 98 HG2 ARG 98 16.797 12.415 -14.231 669 HG3 ARG 98 HG3 ARG 98 15.142 11.840 -14.028 670 HD2 ARG 98 HD2 ARG 98 14.555 12.967 -16.199 671 HD3 ARG 98 HD3 ARG 98 16.267 13.332 -16.414 672 HE ARG 98 HE ARG 98 15.879 10.516 -15.922 673 HH11 ARG 98 HH11 ARG 98 14.077 11.964 -18.182 674 HH12 ARG 98 HH12 ARG 98 14.925 11.378 -19.574 675 HH21 ARG 98 HH21 ARG 98 17.635 10.202 -17.757 676 HH22 ARG 98 HH22 ARG 98 16.938 10.380 -19.334 677 H HIS 99 H HIS 99 16.377 16.179 -12.136 678 HA HIS 99 HA HIS 99 15.086 18.691 -13.121 679 HB2 HIS 99 HB2 HIS 99 14.681 17.791 -10.293 680 HB3 HIS 99 HB3 HIS 99 13.631 18.773 -11.314 681 HD1 HIS 99 HD1 HIS 99 12.642 17.320 -13.495 682 HD2 HIS 99 HD2 HIS 99 13.800 15.185 -10.106 683 HE1 HIS 99 HE1 HIS 99 11.521 15.055 -13.658 684 H LEU 100 H LEU 100 16.112 20.567 -12.461 685 HA LEU 100 HA LEU 100 18.250 20.294 -10.395 686 HB2 LEU 100 HB2 LEU 100 19.144 20.284 -12.785 687 HB3 LEU 100 HB3 LEU 100 18.561 21.944 -12.913 688 HG LEU 100 HG LEU 100 20.224 21.250 -10.532 689 HD11 LEU 100 HD11 LEU 100 21.372 20.204 -12.519 690 HD12 LEU 100 HD12 LEU 100 22.300 21.495 -11.756 691 HD13 LEU 100 HD13 LEU 100 21.429 21.805 -13.258 692 HD21 LEU 100 HD21 LEU 100 19.530 23.607 -12.217 693 HD22 LEU 100 HD22 LEU 100 21.129 23.602 -11.471 694 HD23 LEU 100 HD23 LEU 100 19.686 23.485 -10.463 695 H PHE 101 H PHE 101 18.041 21.824 -8.835 696 HA PHE 101 HA PHE 101 16.864 24.456 -9.543 697 HB2 PHE 101 HB3 PHE 101 15.831 22.616 -7.368 698 HB3 PHE 101 HB2 PHE 101 15.420 24.327 -7.476 699 HD1 PHE 101 HD1 PHE 101 14.160 25.193 -9.449 700 HD2 PHE 101 HD2 PHE 101 14.871 20.997 -8.863 701 HE1 PHE 101 HE1 PHE 101 12.392 24.662 -11.105 702 HE2 PHE 101 HE2 PHE 101 13.103 20.466 -10.519 703 HZ PHE 101 HZ PHE 101 11.863 22.298 -11.640 704 H ARG 102 H ARG 102 17.905 26.101 -8.471 705 HA ARG 102 HA ARG 102 19.560 27.114 -7.145 706 HB2 ARG 102 HB2 ARG 102 18.698 25.017 -5.131 707 HB3 ARG 102 HB3 ARG 102 19.469 26.564 -4.782 708 HG2 ARG 102 HG3 ARG 102 17.471 27.663 -5.937 709 HG3 ARG 102 HG2 ARG 102 16.693 26.081 -5.885 710 HD2 ARG 102 HD2 ARG 102 16.938 26.024 -3.440 711 HD3 ARG 102 HD3 ARG 102 17.761 27.584 -3.474 712 HE ARG 102 HE ARG 102 14.901 27.188 -3.612 713 HH11 ARG 102 HH11 ARG 102 16.548 29.630 -2.686 714 HH12 ARG 102 HH12 ARG 102 16.033 30.812 -3.842 715 HH21 ARG 102 HH21 ARG 102 14.647 28.480 -6.003 716 HH22 ARG 102 HH22 ARG 102 14.956 30.161 -5.721 717 H SER 103 H SER 103 21.050 25.594 -5.030 718 HA SER 103 HA SER 103 23.122 24.518 -6.803 719 HB2 SER 103 HB2 SER 103 24.516 24.473 -4.882 720 HB3 SER 103 HB3 SER 103 23.508 25.903 -4.664 721 HG SER 103 HG SER 103 22.062 24.259 -3.546 722 H PHE 104 H PHE 104 20.331 23.210 -5.878 723 HA PHE 104 HA PHE 104 21.523 20.508 -5.393 724 HB2 PHE 104 HB2 PHE 104 18.815 21.606 -4.572 725 HB3 PHE 104 HB3 PHE 104 19.331 19.935 -4.345 726 HD1 PHE 104 HD1 PHE 104 19.569 23.351 -3.119 727 HD2 PHE 104 HD2 PHE 104 21.294 19.425 -2.862 728 HE1 PHE 104 HE1 PHE 104 20.703 23.987 -1.008 729 HE2 PHE 104 HE2 PHE 104 22.427 20.061 -0.750 730 HZ PHE 104 HZ PHE 104 22.132 22.342 0.178 731 H ALA 105 H ALA 105 20.422 18.716 -6.483 732 HA ALA 105 HA ALA 105 18.524 19.436 -8.632 733 HB1 ALA 105 HB1 ALA 105 20.575 17.729 -9.749 734 HB2 ALA 105 HB2 ALA 105 21.290 19.226 -9.149 735 HB3 ALA 105 HB3 ALA 105 19.988 19.284 -10.337 736 H PHE 106 H PHE 106 17.341 17.612 -9.390 737 HA PHE 106 HA PHE 106 17.469 15.279 -7.564 738 HB2 PHE 106 HB2 PHE 106 15.420 16.234 -9.575 739 HB3 PHE 106 HB3 PHE 106 15.301 14.669 -8.770 740 HD1 PHE 106 HD1 PHE 106 14.264 14.525 -6.675 741 HD2 PHE 106 HD2 PHE 106 15.787 18.310 -8.017 742 HE1 PHE 106 HE1 PHE 106 13.288 15.625 -4.679 743 HE2 PHE 106 HE2 PHE 106 14.811 19.411 -6.021 744 HZ PHE 106 HZ PHE 106 13.561 18.069 -4.353 745 H LEU 107 H LEU 107 18.224 13.309 -8.236 746 HA LEU 107 HA LEU 107 18.986 13.075 -11.116 747 HB2 LEU 107 HB3 LEU 107 20.064 11.685 -8.646 748 HB3 LEU 107 HB2 LEU 107 20.561 11.301 -10.294 749 HG LEU 107 HG LEU 107 22.170 12.861 -9.374 750 HD11 LEU 107 HD21 LEU 107 22.052 14.609 -11.021 751 HD12 LEU 107 HD22 LEU 107 20.299 14.459 -11.139 752 HD13 LEU 107 HD23 LEU 107 21.337 13.173 -11.753 753 HD21 LEU 107 HD11 LEU 107 21.621 14.808 -8.213 754 HD22 LEU 107 HD12 LEU 107 20.317 13.731 -7.713 755 HD23 LEU 107 HD13 LEU 107 20.034 14.932 -8.972 756 H HIS 108 H HIS 108 18.716 10.916 -12.098 757 HA HIS 108 HA HIS 108 16.526 9.338 -10.806 758 HB2 HIS 108 HB2 HIS 108 15.616 10.632 -12.685 759 HB3 HIS 108 HB3 HIS 108 16.862 9.983 -13.752 760 HD1 HIS 108 HD1 HIS 108 15.096 8.774 -15.247 761 HD2 HIS 108 HD2 HIS 108 15.074 7.529 -11.268 762 HE1 HIS 108 HE1 HIS 108 13.703 6.660 -15.164 763 H CYS 109 H CYS 109 16.895 7.151 -10.725 764 HA CYS 109 HA CYS 109 19.151 6.075 -12.365 765 HB2 CYS 109 HB3 CYS 109 19.154 6.396 -9.577 766 HB3 CYS 109 HB2 CYS 109 18.825 4.683 -9.836 767 HG CYS 109 HG CYS 109 21.476 6.071 -10.388 768 H LYS 110 H LYS 110 18.239 4.629 -13.742 769 HA LYS 110 HA LYS 110 15.668 3.426 -13.330 770 HB2 LYS 110 HB3 LYS 110 16.707 3.723 -15.568 771 HB3 LYS 110 HB2 LYS 110 17.917 2.510 -15.149 772 HG2 LYS 110 HG2 LYS 110 16.071 0.865 -14.774 773 HG3 LYS 110 HG3 LYS 110 14.920 2.080 -15.331 774 HD2 LYS 110 HD3 LYS 110 16.197 2.214 -17.487 775 HD3 LYS 110 HD2 LYS 110 17.201 0.876 -16.926 776 HE2 LYS 110 HE2 LYS 110 15.531 -0.189 -18.211 777 HE3 LYS 110 HE3 LYS 110 14.956 -0.372 -16.555 778 HZ1 LYS 110 HZ1 LYS 110 13.768 1.848 -17.021 779 HZ2 LYS 110 HZ2 LYS 110 13.107 0.416 -17.653 780 HZ3 LYS 110 HZ3 LYS 110 14.000 1.457 -18.655 781 H LYS 111 H LYS 111 18.916 2.470 -12.431 782 HA LYS 111 HA LYS 111 18.558 -0.298 -12.025 783 HB2 LYS 111 HB3 LYS 111 20.726 0.916 -11.766 784 HB3 LYS 111 HB2 LYS 111 20.131 1.593 -10.250 785 HG2 LYS 111 HG2 LYS 111 19.824 -0.708 -9.365 786 HG3 LYS 111 HG3 LYS 111 20.479 -1.357 -10.869 787 HD2 LYS 111 HD3 LYS 111 22.578 -0.048 -10.451 788 HD3 LYS 111 HD2 LYS 111 21.922 0.422 -8.882 789 HE2 LYS 111 HE3 LYS 111 21.615 -2.109 -8.465 790 HE3 LYS 111 HE2 LYS 111 22.695 -2.335 -9.841 791 HZ1 LYS 111 HZ1 LYS 111 24.459 -1.495 -8.719 792 HZ2 LYS 111 HZ2 LYS 111 23.591 -2.094 -7.387 793 HZ3 LYS 111 HZ3 LYS 111 23.521 -0.442 -7.777 794 H LEU 112 H LEU 112 17.604 2.436 -9.981 795 HA LEU 112 HA LEU 112 16.423 0.527 -8.027 796 HB2 LEU 112 HB3 LEU 112 17.847 2.406 -7.181 797 HB3 LEU 112 HB2 LEU 112 16.672 3.544 -7.841 798 HG LEU 112 HG LEU 112 14.938 2.699 -6.387 799 HD11 LEU 112 HD21 LEU 112 15.143 0.413 -6.169 800 HD12 LEU 112 HD22 LEU 112 15.881 0.898 -4.642 801 HD13 LEU 112 HD23 LEU 112 16.900 0.481 -6.019 802 HD21 LEU 112 HD11 LEU 112 17.450 3.729 -5.391 803 HD22 LEU 112 HD12 LEU 112 16.698 2.691 -4.180 804 HD23 LEU 112 HD13 LEU 112 15.813 4.072 -4.830 805 H VAL 113 H VAL 113 14.253 0.160 -8.052 806 HA VAL 113 HA VAL 113 12.538 2.118 -9.528 807 HB VAL 113 HB VAL 113 12.038 -0.861 -9.329 808 HG11 VAL 113 HG11 VAL 113 10.955 0.559 -11.615 809 HG12 VAL 113 HG12 VAL 113 10.437 1.316 -10.109 810 HG13 VAL 113 HG13 VAL 113 10.108 -0.393 -10.396 811 HG21 VAL 113 HG21 VAL 113 13.595 -1.188 -10.920 812 HG22 VAL 113 HG22 VAL 113 14.003 0.527 -10.885 813 HG23 VAL 113 HG23 VAL 113 12.743 -0.057 -11.972 814 H GLU 114 H GLU 114 13.182 0.599 -6.578 815 HA GLU 114 HA GLU 114 10.590 0.225 -5.477 816 HB2 GLU 114 HB2 GLU 114 13.176 1.087 -4.150 817 HB3 GLU 114 HB3 GLU 114 11.726 0.606 -3.270 818 HG2 GLU 114 HG3 GLU 114 13.260 -1.114 -5.243 819 HG3 GLU 114 HG2 GLU 114 13.264 -1.301 -3.490 820 H ASN 115 H ASN 115 12.634 3.135 -5.654 821 HA ASN 115 HA ASN 115 10.225 4.720 -4.856 822 HB2 ASN 115 HB2 ASN 115 13.149 5.299 -4.295 823 HB3 ASN 115 HB3 ASN 115 11.822 6.401 -3.934 824 HD21 ASN 115 HD21 ASN 115 13.389 5.488 -1.793 825 HD22 ASN 115 HD22 ASN 115 12.459 4.438 -0.837 826 H GLY 116 H GLY 116 11.427 3.856 -7.542 827 HA2 GLY 116 HA3 GLY 116 11.328 4.911 -9.661 828 HA3 GLY 116 HA2 GLY 116 11.070 6.453 -8.844 829 H GLY 117 H GLY 117 13.686 4.893 -7.441 830 HA2 GLY 117 HA2 GLY 117 15.977 5.406 -7.470 831 HA3 GLY 117 HA3 GLY 117 15.827 5.266 -9.221 832 H MET 118 H MET 118 14.331 7.637 -7.017 833 HA MET 118 HA MET 118 15.687 9.773 -8.614 834 HB2 MET 118 HB2 MET 118 13.089 9.900 -7.051 835 HB3 MET 118 HB3 MET 118 13.798 11.226 -7.972 836 HG2 MET 118 HG2 MET 118 12.882 8.561 -9.097 837 HG3 MET 118 HG3 MET 118 12.065 10.109 -9.304 838 HE1 MET 118 HE1 MET 118 14.402 12.228 -11.404 839 HE2 MET 118 HE2 MET 118 13.832 12.210 -9.737 840 HE3 MET 118 HE3 MET 118 12.699 11.905 -11.051 841 H PHE 119 H PHE 119 17.409 10.516 -7.457 842 HA PHE 119 HA PHE 119 16.965 11.071 -4.552 843 HB2 PHE 119 HB3 PHE 119 19.338 10.494 -4.155 844 HB3 PHE 119 HB2 PHE 119 18.449 9.118 -4.810 845 HD1 PHE 119 HD1 PHE 119 18.672 8.520 -7.229 846 HD2 PHE 119 HD2 PHE 119 21.107 11.543 -5.389 847 HE1 PHE 119 HE1 PHE 119 20.254 8.408 -9.137 848 HE2 PHE 119 HE2 PHE 119 22.687 11.431 -7.296 849 HZ PHE 119 HZ PHE 119 22.261 9.864 -9.170 850 H VAL 120 H VAL 120 17.938 13.001 -3.784 851 HA VAL 120 HA VAL 120 18.867 14.835 -5.955 852 HB VAL 120 HB VAL 120 16.840 15.668 -4.967 853 HG11 VAL 120 HG11 VAL 120 17.965 14.445 -2.591 854 HG12 VAL 120 HG12 VAL 120 16.301 14.937 -2.905 855 HG13 VAL 120 HG13 VAL 120 17.457 16.101 -2.257 856 HG21 VAL 120 HG21 VAL 120 18.830 17.253 -5.265 857 HG22 VAL 120 HG22 VAL 120 19.058 17.128 -3.522 858 HG23 VAL 120 HG23 VAL 120 17.560 17.798 -4.169 859 H CYS 121 H CYS 121 20.671 16.221 -5.483 860 HA CYS 121 HA CYS 121 22.107 15.978 -2.958 861 HB2 CYS 121 HB2 CYS 121 24.201 15.093 -4.229 862 HB3 CYS 121 HB3 CYS 121 22.958 13.932 -3.759 863 HG CYS 121 HG CYS 121 22.008 14.178 -6.267 864 H LYS 122 H LYS 122 24.376 17.115 -3.286 865 HA LYS 122 HA LYS 122 23.818 19.694 -4.512 866 HB2 LYS 122 HB2 LYS 122 26.301 18.546 -3.205 867 HB3 LYS 122 HB3 LYS 122 26.183 20.205 -3.791 868 HG2 LYS 122 HG2 LYS 122 24.146 20.483 -2.316 869 HG3 LYS 122 HG3 LYS 122 24.513 18.904 -1.623 870 HD2 LYS 122 HD2 LYS 122 26.798 19.762 -1.035 871 HD3 LYS 122 HD3 LYS 122 26.294 21.358 -1.589 872 HE2 LYS 122 HE3 LYS 122 24.311 21.080 0.052 873 HE3 LYS 122 HE2 LYS 122 25.261 19.773 0.760 874 HZ1 LYS 122 HZ1 LYS 122 25.727 21.820 1.900 875 HZ2 LYS 122 HZ2 LYS 122 26.107 22.602 0.441 876 HZ3 LYS 122 HZ3 LYS 122 27.102 21.356 1.024 877 H THR 123 H THR 123 24.159 20.150 -6.624 878 HA THR 123 HA THR 123 25.058 18.466 -8.613 879 HB THR 123 HB THR 123 25.542 20.437 -9.958 880 HG1 THR 123 HG1 THR 123 25.420 21.894 -7.533 881 HG21 THR 123 HG21 THR 123 23.371 21.288 -8.046 882 HG22 THR 123 HG22 THR 123 23.157 19.904 -9.118 883 HG23 THR 123 HG23 THR 123 23.443 21.508 -9.795 884 H ARG 124 H ARG 124 27.018 20.180 -6.271 885 HA ARG 124 HA ARG 124 29.548 19.983 -7.570 886 HB2 ARG 124 HB2 ARG 124 29.074 21.297 -5.477 887 HB3 ARG 124 HB3 ARG 124 29.026 19.772 -4.592 888 HG2 ARG 124 HG3 ARG 124 31.339 19.282 -5.336 889 HG3 ARG 124 HG2 ARG 124 31.384 20.828 -6.184 890 HD2 ARG 124 HD2 ARG 124 30.957 21.987 -4.017 891 HD3 ARG 124 HD3 ARG 124 31.024 20.427 -3.197 892 HE ARG 124 HE ARG 124 33.344 21.711 -4.576 893 HH11 ARG 124 HH11 ARG 124 32.601 21.070 -1.525 894 HH12 ARG 124 HH12 ARG 124 33.811 19.868 -1.218 895 HH21 ARG 124 HH21 ARG 124 34.633 19.458 -4.562 896 HH22 ARG 124 HH22 ARG 124 34.961 18.956 -2.937 897 H HIS 125 H HIS 125 27.806 17.694 -5.474 898 HA HIS 125 HA HIS 125 29.913 15.738 -5.393 899 HB2 HIS 125 HB2 HIS 125 26.914 15.396 -5.081 900 HB3 HIS 125 HB3 HIS 125 28.120 14.179 -4.664 901 HD1 HIS 125 HD1 HIS 125 26.300 15.335 -2.458 902 HD2 HIS 125 HD2 HIS 125 30.055 16.884 -3.395 903 HE1 HIS 125 HE1 HIS 125 27.093 16.582 -0.402 904 H LEU 126 H LEU 126 27.681 16.662 -7.842 905 HA LEU 126 HA LEU 126 27.976 14.081 -9.274 906 HB2 LEU 126 HB3 LEU 126 26.421 16.581 -10.013 907 HB3 LEU 126 HB2 LEU 126 26.365 15.042 -10.874 908 HG LEU 126 HG LEU 126 25.651 13.987 -8.658 909 HD11 LEU 126 HD21 LEU 126 24.399 16.000 -7.344 910 HD12 LEU 126 HD22 LEU 126 25.818 16.862 -7.937 911 HD13 LEU 126 HD23 LEU 126 26.014 15.435 -6.921 912 HD21 LEU 126 HD11 LEU 126 23.582 14.096 -9.546 913 HD22 LEU 126 HD12 LEU 126 24.188 15.318 -10.665 914 HD23 LEU 126 HD13 LEU 126 23.449 15.808 -9.141 915 H VAL 127 H VAL 127 29.146 13.900 -11.200 916 HA VAL 127 HA VAL 127 30.749 16.310 -11.961 917 HB VAL 127 HB VAL 127 32.086 14.469 -10.924 918 HG11 VAL 127 HG21 VAL 127 30.404 12.863 -12.524 919 HG12 VAL 127 HG22 VAL 127 31.736 12.321 -11.504 920 HG13 VAL 127 HG23 VAL 127 32.022 12.692 -13.204 921 HG21 VAL 127 HG11 VAL 127 33.041 15.998 -12.658 922 HG22 VAL 127 HG12 VAL 127 32.602 14.818 -13.893 923 HG23 VAL 127 HG13 VAL 127 33.795 14.404 -12.662 924 H LEU 128 H LEU 128 30.700 16.889 -14.110 925 HA LEU 128 HA LEU 128 28.798 15.465 -15.841 926 HB2 LEU 128 HB3 LEU 128 28.886 17.959 -15.758 927 HB3 LEU 128 HB2 LEU 128 30.511 17.896 -16.439 928 HG LEU 128 HG LEU 128 29.538 16.594 -18.383 929 HD11 LEU 128 HD11 LEU 128 26.900 17.595 -17.278 930 HD12 LEU 128 HD12 LEU 128 27.463 15.935 -17.085 931 HD13 LEU 128 HD13 LEU 128 27.149 16.577 -18.697 932 HD21 LEU 128 HD21 LEU 128 29.463 18.585 -19.442 933 HD22 LEU 128 HD22 LEU 128 29.576 19.352 -17.859 934 HD23 LEU 128 HD23 LEU 128 27.996 19.048 -18.579 935 H ALA 129 H ALA 129 29.412 13.926 -17.280 936 HA ALA 129 HA ALA 129 32.317 13.575 -17.803 937 HB1 ALA 129 HB1 ALA 129 31.852 11.337 -18.292 938 HB2 ALA 129 HB2 ALA 129 30.189 11.685 -18.769 939 HB3 ALA 129 HB3 ALA 129 30.637 11.693 -17.064 940 H GLY 130 H GLY 130 33.164 13.674 -19.896 941 HA2 GLY 130 HA2 GLY 130 32.965 13.758 -22.313 942 HA3 GLY 130 HA3 GLY 130 31.276 14.230 -22.127 Start of MODEL 3 1 H GLN 16 H GLN 16 -3.427 12.351 -12.297 2 HA GLN 16 HA GLN 16 -4.817 14.574 -12.893 3 HB2 GLN 16 HB2 GLN 16 -4.360 14.618 -9.895 4 HB3 GLN 16 HB3 GLN 16 -4.874 16.010 -10.847 5 HG2 GLN 16 HG2 GLN 16 -6.892 14.802 -11.556 6 HG3 GLN 16 HG3 GLN 16 -6.369 13.376 -10.661 7 HE21 GLN 16 HE21 GLN 16 -8.841 14.574 -9.996 8 HE22 GLN 16 HE22 GLN 16 -8.712 15.329 -8.481 9 H HIS 17 H HIS 17 -1.998 13.285 -11.367 10 HA HIS 17 HA HIS 17 -0.443 15.695 -12.219 11 HB2 HIS 17 HB2 HIS 17 0.162 13.601 -10.112 12 HB3 HIS 17 HB3 HIS 17 1.300 14.850 -10.615 13 HD1 HIS 17 HD1 HIS 17 -1.729 16.548 -10.908 14 HD2 HIS 17 HD2 HIS 17 0.459 15.292 -7.590 15 HE1 HIS 17 HE1 HIS 17 -2.500 17.974 -8.961 16 H GLU 18 H GLU 18 2.094 14.485 -12.248 17 HA GLU 18 HA GLU 18 1.841 12.243 -14.186 18 HB2 GLU 18 HB3 GLU 18 1.961 14.376 -15.476 19 HB3 GLU 18 HB2 GLU 18 3.501 14.731 -14.692 20 HG2 GLU 18 HG2 GLU 18 4.425 12.610 -15.604 21 HG3 GLU 18 HG3 GLU 18 2.897 12.322 -16.437 22 H TRP 19 H TRP 19 3.853 11.038 -14.424 23 HA TRP 19 HA TRP 19 5.371 10.931 -11.933 24 HB2 TRP 19 HB3 TRP 19 4.711 8.929 -13.367 25 HB3 TRP 19 HB2 TRP 19 5.957 9.442 -14.503 26 HD1 TRP 19 HD1 TRP 19 5.453 7.755 -11.179 27 HE1 TRP 19 HE1 TRP 19 7.728 6.965 -10.259 28 HE3 TRP 19 HE3 TRP 19 8.590 10.079 -14.471 29 HZ2 TRP 19 HZ2 TRP 19 10.511 7.278 -10.845 30 HZ3 TRP 19 HZ3 TRP 19 11.046 9.816 -14.267 31 HH2 TRP 19 HH2 TRP 19 12.010 8.420 -12.459 32 H GLY 20 H GLY 20 7.378 11.811 -11.571 33 HA2 GLY 20 HA3 GLY 20 9.571 12.572 -12.238 34 HA3 GLY 20 HA2 GLY 20 8.984 12.725 -13.894 35 H GLU 21 H GLU 21 6.698 13.975 -11.770 36 HA GLU 21 HA GLU 21 7.289 16.705 -12.629 37 HB2 GLU 21 HB3 GLU 21 4.958 15.860 -12.416 38 HB3 GLU 21 HB2 GLU 21 5.197 15.701 -10.676 39 HG2 GLU 21 HG2 GLU 21 5.707 18.137 -10.556 40 HG3 GLU 21 HG3 GLU 21 5.368 18.270 -12.282 41 H LEU 22 H LEU 22 8.273 18.285 -11.421 42 HA LEU 22 HA LEU 22 9.387 17.465 -8.797 43 HB2 LEU 22 HB2 LEU 22 10.898 18.453 -10.515 44 HB3 LEU 22 HB3 LEU 22 9.948 19.938 -10.465 45 HG LEU 22 HG LEU 22 10.409 19.822 -7.883 46 HD11 LEU 22 HD11 LEU 22 11.623 17.485 -8.546 47 HD12 LEU 22 HD12 LEU 22 12.080 18.447 -7.141 48 HD13 LEU 22 HD13 LEU 22 12.996 18.587 -8.641 49 HD21 LEU 22 HD21 LEU 22 12.963 20.571 -8.907 50 HD22 LEU 22 HD22 LEU 22 11.619 21.627 -8.471 51 HD23 LEU 22 HD23 LEU 22 11.756 21.009 -10.116 52 H VAL 23 H VAL 23 8.897 18.572 -6.885 53 HA VAL 23 HA VAL 23 6.978 20.841 -7.074 54 HB VAL 23 HB VAL 23 5.563 19.846 -5.331 55 HG11 VAL 23 HG21 VAL 23 4.884 17.721 -6.695 56 HG12 VAL 23 HG22 VAL 23 6.117 18.265 -7.833 57 HG13 VAL 23 HG23 VAL 23 4.739 19.303 -7.461 58 HG21 VAL 23 HG11 VAL 23 6.267 17.175 -5.219 59 HG22 VAL 23 HG12 VAL 23 6.615 18.370 -3.969 60 HG23 VAL 23 HG13 VAL 23 7.831 17.988 -5.189 61 H GLN 24 H GLN 24 7.190 22.335 -5.374 62 HA GLN 24 HA GLN 24 9.594 21.918 -3.663 63 HB2 GLN 24 HB3 GLN 24 9.599 23.951 -5.045 64 HB3 GLN 24 HB2 GLN 24 8.059 24.447 -4.341 65 HG2 GLN 24 HG2 GLN 24 9.110 24.521 -2.104 66 HG3 GLN 24 HG3 GLN 24 10.652 24.043 -2.816 67 HE21 GLN 24 HE21 GLN 24 11.987 25.820 -3.152 68 HE22 GLN 24 HE22 GLN 24 11.456 27.386 -3.535 69 H LEU 25 H LEU 25 8.941 20.938 -1.780 70 HA LEU 25 HA LEU 25 6.354 21.292 -0.586 71 HB2 LEU 25 HB2 LEU 25 7.862 19.349 -0.135 72 HB3 LEU 25 HB3 LEU 25 8.930 20.428 0.763 73 HG LEU 25 HG LEU 25 6.926 21.031 2.203 74 HD11 LEU 25 HD11 LEU 25 5.591 19.529 0.215 75 HD12 LEU 25 HD12 LEU 25 4.892 20.221 1.678 76 HD13 LEU 25 HD13 LEU 25 5.508 18.568 1.691 77 HD21 LEU 25 HD21 LEU 25 7.970 19.581 3.573 78 HD22 LEU 25 HD22 LEU 25 8.570 18.659 2.194 79 HD23 LEU 25 HD23 LEU 25 6.991 18.285 2.886 80 H ASP 26 H ASP 26 9.491 22.870 -0.071 81 HA ASP 26 HA ASP 26 8.060 25.069 1.314 82 HB2 ASP 26 HB3 ASP 26 9.821 23.145 2.611 83 HB3 ASP 26 HB2 ASP 26 10.432 24.791 2.774 84 HA PRO 27 HA PRO 27 10.939 27.767 -0.706 85 HB2 PRO 27 HB2 PRO 27 11.969 29.346 1.234 86 HB3 PRO 27 HB3 PRO 27 10.309 29.496 0.649 87 HG2 PRO 27 HG2 PRO 27 11.339 28.102 3.095 88 HG3 PRO 27 HG3 PRO 27 9.935 29.163 2.931 89 HD2 PRO 27 HD3 PRO 27 9.680 26.483 2.992 90 HD3 PRO 27 HD2 PRO 27 8.620 27.491 2.005 91 H GLN 28 H GLN 28 12.093 25.462 1.455 92 HA GLN 28 HA GLN 28 14.856 25.854 0.424 93 HB2 GLN 28 HB3 GLN 28 14.142 25.324 3.324 94 HB3 GLN 28 HB2 GLN 28 15.777 25.331 2.664 95 HG2 GLN 28 HG3 GLN 28 15.540 27.680 2.021 96 HG3 GLN 28 HG2 GLN 28 13.866 27.687 2.579 97 HE21 GLN 28 HE21 GLN 28 15.866 29.450 3.691 98 HE22 GLN 28 HE22 GLN 28 16.139 28.996 5.304 99 H THR 29 H THR 29 12.290 23.896 0.457 100 HA THR 29 HA THR 29 14.007 21.456 0.393 101 HB THR 29 HB THR 29 11.248 21.655 1.641 102 HG1 THR 29 HG1 THR 29 12.340 21.306 3.539 103 HG21 THR 29 HG21 THR 29 11.597 19.517 0.488 104 HG22 THR 29 HG22 THR 29 11.638 19.280 2.236 105 HG23 THR 29 HG23 THR 29 13.141 19.309 1.314 106 H VAL 30 H VAL 30 13.749 20.355 -1.488 107 HA VAL 30 HA VAL 30 11.249 20.851 -3.059 108 HB VAL 30 HB VAL 30 12.642 20.562 -5.103 109 HG11 VAL 30 HG21 VAL 30 14.145 22.673 -3.693 110 HG12 VAL 30 HG22 VAL 30 12.394 22.792 -3.525 111 HG13 VAL 30 HG23 VAL 30 13.128 22.784 -5.129 112 HG21 VAL 30 HG11 VAL 30 14.796 19.871 -5.012 113 HG22 VAL 30 HG12 VAL 30 14.468 19.447 -3.332 114 HG23 VAL 30 HG13 VAL 30 15.186 21.009 -3.724 115 H GLY 31 H GLY 31 10.665 19.004 -4.497 116 HA2 GLY 31 HA3 GLY 31 11.943 16.418 -3.952 117 HA3 GLY 31 HA2 GLY 31 10.317 16.581 -3.289 118 H VAL 32 H VAL 32 10.734 14.650 -5.198 119 HA VAL 32 HA VAL 32 9.404 15.836 -7.606 120 HB VAL 32 HB VAL 32 10.607 13.339 -8.297 121 HG11 VAL 32 HG11 VAL 32 10.204 15.868 -9.366 122 HG12 VAL 32 HG12 VAL 32 11.057 14.541 -10.155 123 HG13 VAL 32 HG13 VAL 32 11.959 15.752 -9.245 124 HG21 VAL 32 HG21 VAL 32 13.040 14.205 -8.010 125 HG22 VAL 32 HG22 VAL 32 12.256 13.453 -6.619 126 HG23 VAL 32 HG23 VAL 32 12.370 15.210 -6.725 127 H ILE 33 H ILE 33 8.001 14.202 -8.758 128 HA ILE 33 HA ILE 33 6.562 12.583 -6.724 129 HB ILE 33 HB ILE 33 5.750 13.415 -9.526 130 HG12 ILE 33 HG12 ILE 33 4.844 14.417 -6.809 131 HG13 ILE 33 HG13 ILE 33 5.923 15.286 -7.899 132 HG21 ILE 33 HG21 ILE 33 4.793 11.242 -8.468 133 HG22 ILE 33 HG22 ILE 33 3.652 12.426 -9.103 134 HG23 ILE 33 HG23 ILE 33 3.947 12.328 -7.367 135 HD11 ILE 33 HD11 ILE 33 4.069 16.187 -8.822 136 HD12 ILE 33 HD12 ILE 33 3.016 15.052 -7.977 137 HD13 ILE 33 HD13 ILE 33 3.755 14.595 -9.511 138 H VAL 34 H VAL 34 7.029 10.448 -6.661 139 HA VAL 34 HA VAL 34 8.008 9.147 -9.168 140 HB VAL 34 HB VAL 34 9.694 8.939 -7.501 141 HG11 VAL 34 HG11 VAL 34 8.615 7.705 -5.273 142 HG12 VAL 34 HG12 VAL 34 7.369 8.871 -5.715 143 HG13 VAL 34 HG13 VAL 34 9.015 9.418 -5.395 144 HG21 VAL 34 HG21 VAL 34 9.617 6.502 -6.892 145 HG22 VAL 34 HG22 VAL 34 9.287 6.813 -8.597 146 HG23 VAL 34 HG23 VAL 34 7.960 6.452 -7.493 147 H ARG 35 H ARG 35 5.687 8.960 -6.528 148 HA ARG 35 HA ARG 35 4.271 6.820 -8.059 149 HB2 ARG 35 HB2 ARG 35 4.702 6.992 -5.064 150 HB3 ARG 35 HB3 ARG 35 3.524 5.918 -5.815 151 HG2 ARG 35 HG2 ARG 35 5.400 4.946 -7.187 152 HG3 ARG 35 HG3 ARG 35 6.526 5.911 -6.234 153 HD2 ARG 35 HD2 ARG 35 5.442 4.814 -4.170 154 HD3 ARG 35 HD3 ARG 35 4.737 3.661 -5.304 155 HE ARG 35 HE ARG 35 7.103 3.096 -5.971 156 HH11 ARG 35 HH11 ARG 35 7.989 5.547 -4.189 157 HH12 ARG 35 HH12 ARG 35 8.763 4.687 -2.900 158 HH21 ARG 35 HH21 ARG 35 7.432 1.613 -3.800 159 HH22 ARG 35 HH22 ARG 35 8.447 2.460 -2.679 160 H LEU 36 H LEU 36 2.399 7.727 -8.758 161 HA LEU 36 HA LEU 36 1.173 9.905 -7.152 162 HB2 LEU 36 HB2 LEU 36 0.526 8.900 -9.942 163 HB3 LEU 36 HB3 LEU 36 -0.205 10.304 -9.163 164 HG LEU 36 HG LEU 36 2.255 11.116 -8.861 165 HD11 LEU 36 HD11 LEU 36 2.494 8.879 -10.864 166 HD12 LEU 36 HD12 LEU 36 3.542 9.253 -9.495 167 HD13 LEU 36 HD13 LEU 36 3.584 10.263 -10.939 168 HD21 LEU 36 HD21 LEU 36 0.293 11.647 -10.701 169 HD22 LEU 36 HD22 LEU 36 1.637 11.183 -11.746 170 HD23 LEU 36 HD23 LEU 36 1.826 12.515 -10.605 171 H GLU 37 H GLU 37 -0.725 9.603 -6.056 172 HA GLU 37 HA GLU 37 -2.221 7.064 -6.562 173 HB2 GLU 37 HB2 GLU 37 -0.846 7.046 -4.427 174 HB3 GLU 37 HB3 GLU 37 -1.871 8.358 -3.845 175 HG2 GLU 37 HG2 GLU 37 -3.870 6.898 -4.237 176 HG3 GLU 37 HG3 GLU 37 -2.776 5.580 -4.659 177 H ARG 38 H ARG 38 -4.527 7.219 -6.143 178 HA ARG 38 HA ARG 38 -5.657 9.760 -6.909 179 HB2 ARG 38 HB2 ARG 38 -6.946 7.242 -5.816 180 HB3 ARG 38 HB3 ARG 38 -7.846 8.624 -6.442 181 HG2 ARG 38 HG3 ARG 38 -6.604 8.373 -8.609 182 HG3 ARG 38 HG2 ARG 38 -5.876 6.899 -7.971 183 HD2 ARG 38 HD2 ARG 38 -8.832 7.417 -8.402 184 HD3 ARG 38 HD3 ARG 38 -7.817 6.291 -9.304 185 HE ARG 38 HE ARG 38 -7.531 5.367 -6.754 186 HH11 ARG 38 HH11 ARG 38 -9.541 4.514 -9.077 187 HH12 ARG 38 HH12 ARG 38 -10.948 4.225 -8.112 188 HH21 ARG 38 HH21 ARG 38 -9.658 5.779 -5.293 189 HH22 ARG 38 HH22 ARG 38 -11.015 4.940 -5.968 190 H GLU 39 H GLU 39 -5.252 8.086 -3.822 191 HA GLU 39 HA GLU 39 -6.877 9.974 -2.327 192 HB2 GLU 39 HB2 GLU 39 -4.794 7.957 -1.439 193 HB3 GLU 39 HB3 GLU 39 -5.812 8.884 -0.337 194 HG2 GLU 39 HG2 GLU 39 -7.828 7.928 -1.440 195 HG3 GLU 39 HG3 GLU 39 -6.778 6.954 -2.471 196 H THR 40 H THR 40 -3.468 9.718 -3.190 197 HA THR 40 HA THR 40 -3.042 12.520 -2.561 198 HB THR 40 HB THR 40 -1.032 11.595 -0.964 199 HG1 THR 40 HG1 THR 40 -2.578 10.207 0.464 200 HG21 THR 40 HG21 THR 40 -2.208 12.618 0.807 201 HG22 THR 40 HG22 THR 40 -3.776 12.138 0.158 202 HG23 THR 40 HG23 THR 40 -2.845 13.409 -0.635 203 H PHE 41 H PHE 41 -0.496 12.924 -2.718 204 HA PHE 41 HA PHE 41 0.480 11.210 -4.970 205 HB2 PHE 41 HB2 PHE 41 0.883 14.157 -4.399 206 HB3 PHE 41 HB3 PHE 41 1.806 13.275 -5.616 207 HD1 PHE 41 HD1 PHE 41 0.412 11.905 -7.358 208 HD2 PHE 41 HD2 PHE 41 -1.180 15.100 -4.970 209 HE1 PHE 41 HE1 PHE 41 -1.450 12.183 -8.973 210 HE2 PHE 41 HE2 PHE 41 -3.045 15.378 -6.583 211 HZ PHE 41 HZ PHE 41 -3.177 13.920 -8.585 212 H GLN 42 H GLN 42 2.494 10.295 -4.747 213 HA GLN 42 HA GLN 42 3.879 10.726 -2.158 214 HB2 GLN 42 HB2 GLN 42 4.310 8.669 -4.348 215 HB3 GLN 42 HB3 GLN 42 5.190 8.716 -2.821 216 HG2 GLN 42 HG2 GLN 42 3.014 8.513 -1.609 217 HG3 GLN 42 HG3 GLN 42 2.197 8.347 -3.164 218 HE21 GLN 42 HE21 GLN 42 4.150 6.676 -0.785 219 HE22 GLN 42 HE22 GLN 42 4.232 5.187 -1.596 220 H VAL 43 H VAL 43 5.404 12.314 -2.179 221 HA VAL 43 HA VAL 43 6.971 12.694 -4.696 222 HB VAL 43 HB VAL 43 6.501 14.675 -2.449 223 HG11 VAL 43 HG11 VAL 43 7.697 16.231 -3.737 224 HG12 VAL 43 HG12 VAL 43 7.514 15.288 -5.217 225 HG13 VAL 43 HG13 VAL 43 8.630 14.752 -3.961 226 HG21 VAL 43 HG21 VAL 43 5.389 15.519 -4.927 227 HG22 VAL 43 HG22 VAL 43 4.529 15.119 -3.439 228 HG23 VAL 43 HG23 VAL 43 4.832 13.868 -4.645 229 H LEU 44 H LEU 44 9.259 12.959 -4.502 230 HA LEU 44 HA LEU 44 10.389 11.633 -2.111 231 HB2 LEU 44 HB2 LEU 44 11.106 10.936 -4.398 232 HB3 LEU 44 HB3 LEU 44 11.759 12.554 -4.658 233 HG LEU 44 HG LEU 44 12.987 12.016 -2.343 234 HD11 LEU 44 HD11 LEU 44 12.365 9.330 -3.593 235 HD12 LEU 44 HD12 LEU 44 12.062 9.847 -1.934 236 HD13 LEU 44 HD13 LEU 44 13.715 9.571 -2.484 237 HD21 LEU 44 HD21 LEU 44 14.328 12.591 -4.180 238 HD22 LEU 44 HD22 LEU 44 13.715 11.263 -5.165 239 HD23 LEU 44 HD23 LEU 44 14.837 10.936 -3.845 240 H ASN 45 H ASN 45 11.159 12.850 -0.458 241 HA ASN 45 HA ASN 45 11.367 15.732 -0.665 242 HB2 ASN 45 HB2 ASN 45 12.286 13.823 1.507 243 HB3 ASN 45 HB3 ASN 45 12.243 15.579 1.662 244 HD21 ASN 45 HD21 ASN 45 10.664 13.940 3.383 245 HD22 ASN 45 HD22 ASN 45 9.024 14.136 2.989 246 H MET 46 H MET 46 13.216 16.996 -0.810 247 HA MET 46 HA MET 46 15.414 16.226 -2.308 248 HB2 MET 46 HB2 MET 46 15.024 18.559 -1.786 249 HB3 MET 46 HB3 MET 46 15.294 18.265 -0.069 250 HG2 MET 46 HG2 MET 46 17.629 17.563 -0.592 251 HG3 MET 46 HG3 MET 46 17.346 17.971 -2.285 252 HE1 MET 46 HE1 MET 46 17.582 18.888 1.240 253 HE2 MET 46 HE2 MET 46 16.220 20.000 1.131 254 HE3 MET 46 HE3 MET 46 17.849 20.632 1.347 255 H TYR 47 H TYR 47 14.830 15.539 1.066 256 HA TYR 47 HA TYR 47 17.571 14.911 1.751 257 HB2 TYR 47 HB2 TYR 47 14.947 14.031 2.993 258 HB3 TYR 47 HB3 TYR 47 16.532 13.732 3.699 259 HD1 TYR 47 HD1 TYR 47 16.971 16.734 2.065 260 HD2 TYR 47 HD2 TYR 47 14.905 15.124 5.472 261 HE1 TYR 47 HE1 TYR 47 16.933 18.983 3.105 262 HE2 TYR 47 HE2 TYR 47 14.867 17.375 6.510 263 HH TYR 47 HH TYR 47 15.758 20.225 4.755 264 H GLY 48 H GLY 48 15.492 13.434 -0.389 265 HA2 GLY 48 HA3 GLY 48 15.920 11.437 -1.609 266 HA3 GLY 48 HA2 GLY 48 17.134 10.995 -0.407 267 H LYS 49 H LYS 49 13.778 11.951 0.219 268 HA LYS 49 HA LYS 49 13.248 9.154 1.141 269 HB2 LYS 49 HB2 LYS 49 12.476 11.727 2.551 270 HB3 LYS 49 HB3 LYS 49 11.977 10.110 3.049 271 HG2 LYS 49 HG2 LYS 49 14.393 9.484 3.259 272 HG3 LYS 49 HG3 LYS 49 14.820 11.156 2.899 273 HD2 LYS 49 HD2 LYS 49 13.437 11.876 4.861 274 HD3 LYS 49 HD3 LYS 49 13.179 10.175 5.253 275 HE2 LYS 49 HE2 LYS 49 15.967 10.489 4.859 276 HE3 LYS 49 HE3 LYS 49 15.452 11.843 5.865 277 HZ1 LYS 49 HZ1 LYS 49 15.595 10.364 7.516 278 HZ2 LYS 49 HZ2 LYS 49 15.543 9.023 6.472 279 HZ3 LYS 49 HZ3 LYS 49 14.104 9.790 6.948 280 H VAL 50 H VAL 50 11.058 8.468 0.916 281 HA VAL 50 HA VAL 50 9.453 10.199 -0.918 282 HB VAL 50 HB VAL 50 9.300 7.195 -0.521 283 HG11 VAL 50 HG11 VAL 50 8.144 7.639 -2.892 284 HG12 VAL 50 HG12 VAL 50 7.805 9.203 -2.152 285 HG13 VAL 50 HG13 VAL 50 7.226 7.722 -1.390 286 HG21 VAL 50 HG21 VAL 50 11.439 8.062 -1.566 287 HG22 VAL 50 HG22 VAL 50 10.452 8.739 -2.861 288 HG23 VAL 50 HG23 VAL 50 10.496 6.994 -2.605 289 H VAL 51 H VAL 51 7.712 11.123 0.038 290 HA VAL 51 HA VAL 51 6.273 9.573 2.142 291 HB VAL 51 HB VAL 51 6.915 12.534 2.289 292 HG11 VAL 51 HG11 VAL 51 5.955 11.030 4.649 293 HG12 VAL 51 HG12 VAL 51 4.768 11.232 3.362 294 HG13 VAL 51 HG13 VAL 51 5.524 12.648 4.094 295 HG21 VAL 51 HG21 VAL 51 8.030 11.337 4.492 296 HG22 VAL 51 HG22 VAL 51 8.919 11.750 3.026 297 HG23 VAL 51 HG23 VAL 51 8.300 10.113 3.250 298 H THR 52 H THR 52 4.021 9.844 2.097 299 HA THR 52 HA THR 52 2.893 10.802 -0.396 300 HB THR 52 HB THR 52 1.432 10.093 2.165 301 HG1 THR 52 HG1 THR 52 1.335 8.015 1.216 302 HG21 THR 52 HG21 THR 52 0.628 10.211 -0.752 303 HG22 THR 52 HG22 THR 52 -0.009 11.188 0.571 304 HG23 THR 52 HG23 THR 52 -0.358 9.460 0.504 305 H VAL 53 H VAL 53 1.792 12.727 -0.781 306 HA VAL 53 HA VAL 53 1.553 14.630 1.508 307 HB VAL 53 HB VAL 53 2.362 16.449 0.088 308 HG11 VAL 53 HG11 VAL 53 4.064 15.263 1.353 309 HG12 VAL 53 HG12 VAL 53 4.721 15.645 -0.239 310 HG13 VAL 53 HG13 VAL 53 4.164 14.010 0.117 311 HG21 VAL 53 HG21 VAL 53 1.509 15.100 -2.023 312 HG22 VAL 53 HG22 VAL 53 3.163 14.487 -2.034 313 HG23 VAL 53 HG23 VAL 53 2.866 16.219 -2.172 314 H ARG 54 H ARG 54 -0.081 16.315 1.132 315 HA ARG 54 HA ARG 54 -2.369 15.248 -0.374 316 HB2 ARG 54 HB3 ARG 54 -2.075 17.764 1.295 317 HB3 ARG 54 HB2 ARG 54 -3.591 17.162 0.625 318 HG2 ARG 54 HG2 ARG 54 -3.300 15.056 1.905 319 HG3 ARG 54 HG3 ARG 54 -1.811 15.697 2.599 320 HD2 ARG 54 HD2 ARG 54 -3.172 17.646 3.471 321 HD3 ARG 54 HD3 ARG 54 -4.619 16.777 2.959 322 HE ARG 54 HE ARG 54 -3.404 14.903 4.506 323 HH11 ARG 54 HH11 ARG 54 -2.647 15.121 6.717 324 HH12 ARG 54 HH12 ARG 54 -3.331 16.405 7.657 325 HH21 ARG 54 HH21 ARG 54 -4.865 17.929 4.947 326 HH22 ARG 54 HH22 ARG 54 -4.588 17.995 6.655 327 H HIS 55 H HIS 55 -3.597 16.739 -1.856 328 HA HIS 55 HA HIS 55 -2.050 17.624 -4.021 329 HB2 HIS 55 HB3 HIS 55 -4.756 18.663 -3.123 330 HB3 HIS 55 HB2 HIS 55 -4.058 18.903 -4.725 331 HD1 HIS 55 HD1 HIS 55 -6.665 17.372 -4.614 332 HD2 HIS 55 HD2 HIS 55 -2.959 15.490 -4.292 333 HE1 HIS 55 HE1 HIS 55 -7.030 14.952 -5.269 334 H GLN 56 H GLN 56 -3.208 19.485 -1.217 335 HA GLN 56 HA GLN 56 -2.169 22.012 -2.137 336 HB2 GLN 56 HB2 GLN 56 -2.749 21.046 0.681 337 HB3 GLN 56 HB3 GLN 56 -2.454 22.723 0.222 338 HG2 GLN 56 HG3 GLN 56 -4.701 20.984 -0.844 339 HG3 GLN 56 HG2 GLN 56 -4.880 22.241 0.380 340 HE21 GLN 56 HE21 GLN 56 -5.615 21.844 -2.730 341 HE22 GLN 56 HE22 GLN 56 -5.246 23.374 -3.368 342 H ALA 57 H ALA 57 -0.820 19.350 -0.244 343 HA ALA 57 HA ALA 57 1.550 20.689 0.634 344 HB1 ALA 57 HB1 ALA 57 0.922 17.776 0.111 345 HB2 ALA 57 HB2 ALA 57 1.012 18.602 1.667 346 HB3 ALA 57 HB3 ALA 57 2.482 18.308 0.737 347 H VAL 58 H VAL 58 0.560 19.624 -2.475 348 HA VAL 58 HA VAL 58 3.346 19.500 -3.485 349 HB VAL 58 HB VAL 58 1.164 19.374 -5.462 350 HG11 VAL 58 HG11 VAL 58 2.790 17.006 -5.179 351 HG12 VAL 58 HG12 VAL 58 3.810 18.443 -5.092 352 HG13 VAL 58 HG13 VAL 58 2.771 18.184 -6.493 353 HG21 VAL 58 HG21 VAL 58 -0.208 18.207 -4.016 354 HG22 VAL 58 HG22 VAL 58 1.138 17.654 -3.018 355 HG23 VAL 58 HG23 VAL 58 0.812 16.879 -4.569 356 H THR 59 H THR 59 3.809 20.798 -5.516 357 HA THR 59 HA THR 59 2.325 23.390 -5.521 358 HB THR 59 HB THR 59 4.376 24.637 -5.587 359 HG1 THR 59 HG1 THR 59 6.215 23.752 -6.128 360 HG21 THR 59 HG21 THR 59 4.934 22.494 -3.541 361 HG22 THR 59 HG22 THR 59 3.576 23.604 -3.361 362 HG23 THR 59 HG23 THR 59 5.224 24.230 -3.420 363 H ARG 60 H ARG 60 2.501 24.549 -7.576 364 HA ARG 60 HA ARG 60 2.275 22.848 -9.858 365 HB2 ARG 60 HB2 ARG 60 2.776 25.833 -9.678 366 HB3 ARG 60 HB3 ARG 60 2.352 24.983 -11.163 367 HG2 ARG 60 HG2 ARG 60 0.267 24.170 -10.045 368 HG3 ARG 60 HG3 ARG 60 0.678 25.149 -8.638 369 HD2 ARG 60 HD2 ARG 60 0.719 27.168 -10.132 370 HD3 ARG 60 HD3 ARG 60 0.136 26.150 -11.449 371 HE ARG 60 HE ARG 60 -1.424 26.910 -9.037 372 HH11 ARG 60 HH11 ARG 60 -3.563 27.337 -9.889 373 HH12 ARG 60 HH12 ARG 60 -4.192 26.209 -11.043 374 HH21 ARG 60 HH21 ARG 60 -1.175 24.555 -11.467 375 HH22 ARG 60 HH22 ARG 60 -2.841 24.634 -11.937 376 H LYS 61 H LYS 61 3.727 22.600 -11.655 377 HA LYS 61 HA LYS 61 6.421 22.093 -11.035 378 HB2 LYS 61 HB2 LYS 61 5.257 22.871 -13.727 379 HB3 LYS 61 HB3 LYS 61 6.814 22.082 -13.477 380 HG2 LYS 61 HG2 LYS 61 5.639 20.180 -12.379 381 HG3 LYS 61 HG3 LYS 61 4.096 20.960 -12.729 382 HD2 LYS 61 HD2 LYS 61 4.709 20.932 -15.165 383 HD3 LYS 61 HD3 LYS 61 6.143 19.993 -14.747 384 HE2 LYS 61 HE2 LYS 61 4.909 18.112 -14.770 385 HE3 LYS 61 HE3 LYS 61 3.901 18.765 -13.478 386 HZ1 LYS 61 HZ1 LYS 61 2.746 20.044 -15.332 387 HZ2 LYS 61 HZ2 LYS 61 2.433 18.378 -15.219 388 HZ3 LYS 61 HZ3 LYS 61 3.507 18.966 -16.397 389 H LYS 62 H LYS 62 8.259 23.354 -10.973 390 HA LYS 62 HA LYS 62 7.893 26.262 -11.001 391 HB2 LYS 62 HB2 LYS 62 9.362 25.023 -9.348 392 HB3 LYS 62 HB3 LYS 62 10.476 24.713 -10.678 393 HG2 LYS 62 HG2 LYS 62 11.274 26.694 -9.597 394 HG3 LYS 62 HG3 LYS 62 10.488 27.233 -11.082 395 HD2 LYS 62 HD2 LYS 62 8.453 27.784 -9.840 396 HD3 LYS 62 HD3 LYS 62 9.164 27.161 -8.352 397 HE2 LYS 62 HE2 LYS 62 9.937 29.251 -7.983 398 HE3 LYS 62 HE3 LYS 62 11.062 28.973 -9.312 399 HZ1 LYS 62 HZ1 LYS 62 8.561 29.611 -10.391 400 HZ2 LYS 62 HZ2 LYS 62 10.005 30.501 -10.484 401 HZ3 LYS 62 HZ3 LYS 62 8.919 30.768 -9.204 402 H ASP 63 H ASP 63 8.518 23.959 -13.357 403 HA ASP 63 HA ASP 63 9.282 24.129 -15.568 404 HB2 ASP 63 HB2 ASP 63 8.875 27.073 -14.965 405 HB3 ASP 63 HB3 ASP 63 9.197 26.420 -16.571 406 H ASN 64 H ASN 64 11.275 23.802 -13.634 407 HA ASN 64 HA ASN 64 13.389 25.781 -14.103 408 HB2 ASN 64 HB2 ASN 64 13.442 23.093 -12.697 409 HB3 ASN 64 HB3 ASN 64 14.765 24.259 -12.702 410 HD21 ASN 64 HD21 ASN 64 13.433 23.438 -10.270 411 HD22 ASN 64 HD22 ASN 64 12.609 24.784 -9.644 412 H ARG 65 H ARG 65 12.126 23.588 -16.102 413 HA ARG 65 HA ARG 65 14.164 21.894 -17.009 414 HB2 ARG 65 HB2 ARG 65 12.131 23.441 -18.647 415 HB3 ARG 65 HB3 ARG 65 13.093 22.096 -19.259 416 HG2 ARG 65 HG2 ARG 65 12.139 20.653 -17.453 417 HG3 ARG 65 HG3 ARG 65 11.103 21.996 -16.973 418 HD2 ARG 65 HD2 ARG 65 9.794 20.604 -18.432 419 HD3 ARG 65 HD3 ARG 65 10.237 22.037 -19.362 420 HE ARG 65 HE ARG 65 11.818 19.512 -19.605 421 HH11 ARG 65 HH11 ARG 65 13.007 19.948 -21.634 422 HH12 ARG 65 HH12 ARG 65 12.048 20.526 -22.957 423 HH21 ARG 65 HH21 ARG 65 9.272 21.205 -20.994 424 HH22 ARG 65 HH22 ARG 65 9.935 21.237 -22.594 425 H PHE 66 H PHE 66 13.736 25.360 -17.594 426 HA PHE 66 HA PHE 66 16.111 25.418 -19.349 427 HB2 PHE 66 HB2 PHE 66 14.291 27.634 -18.359 428 HB3 PHE 66 HB3 PHE 66 15.603 27.847 -19.518 429 HD1 PHE 66 HD1 PHE 66 15.491 26.781 -21.757 430 HD2 PHE 66 HD2 PHE 66 12.213 26.582 -18.988 431 HE1 PHE 66 HE1 PHE 66 13.980 26.080 -23.596 432 HE2 PHE 66 HE2 PHE 66 10.703 25.881 -20.827 433 HZ PHE 66 HZ PHE 66 11.587 25.630 -23.130 434 H ALA 67 H ALA 67 15.844 25.050 -16.177 435 HA ALA 67 HA ALA 67 17.415 27.216 -15.096 436 HB1 ALA 67 HB1 ALA 67 17.520 24.505 -13.849 437 HB2 ALA 67 HB2 ALA 67 15.949 25.303 -13.937 438 HB3 ALA 67 HB3 ALA 67 17.288 26.080 -13.091 439 H VAL 68 H VAL 68 19.597 27.509 -15.191 440 HA VAL 68 HA VAL 68 21.247 25.212 -16.173 441 HB VAL 68 HB VAL 68 21.783 28.167 -16.594 442 HG11 VAL 68 HG11 VAL 68 23.355 27.181 -18.345 443 HG12 VAL 68 HG12 VAL 68 23.076 25.615 -17.581 444 HG13 VAL 68 HG13 VAL 68 23.828 26.922 -16.665 445 HG21 VAL 68 HG21 VAL 68 20.025 27.909 -18.049 446 HG22 VAL 68 HG22 VAL 68 20.216 26.158 -18.131 447 HG23 VAL 68 HG23 VAL 68 21.285 27.206 -19.063 448 H ALA 69 H ALA 69 23.098 24.737 -15.004 449 HA ALA 69 HA ALA 69 23.794 26.581 -12.758 450 HB1 ALA 69 HB1 ALA 69 22.465 24.571 -11.990 451 HB2 ALA 69 HB2 ALA 69 24.065 24.707 -11.260 452 HB3 ALA 69 HB3 ALA 69 23.787 23.557 -12.567 453 H LEU 70 H LEU 70 26.021 26.708 -12.303 454 HA LEU 70 HA LEU 70 27.772 25.587 -14.423 455 HB2 LEU 70 HB2 LEU 70 27.886 28.026 -13.870 456 HB3 LEU 70 HB3 LEU 70 28.429 27.597 -12.247 457 HG LEU 70 HG LEU 70 30.338 26.336 -13.298 458 HD11 LEU 70 HD11 LEU 70 29.193 27.631 -15.786 459 HD12 LEU 70 HD12 LEU 70 29.450 25.910 -15.496 460 HD13 LEU 70 HD13 LEU 70 30.833 26.987 -15.698 461 HD21 LEU 70 HD21 LEU 70 31.605 28.216 -13.156 462 HD22 LEU 70 HD22 LEU 70 30.088 29.020 -12.754 463 HD23 LEU 70 HD23 LEU 70 30.682 29.040 -14.413 464 H ASP 71 H ASP 71 29.314 24.044 -13.982 465 HA ASP 71 HA ASP 71 29.216 22.783 -11.319 466 HB2 ASP 71 HB3 ASP 71 29.191 21.431 -13.435 467 HB3 ASP 71 HB2 ASP 71 30.835 21.988 -13.753 468 H SER 72 H SER 72 30.727 23.149 -9.771 469 HA SER 72 HA SER 72 32.678 25.148 -9.879 470 HB2 SER 72 HB2 SER 72 31.902 23.973 -7.803 471 HB3 SER 72 HB3 SER 72 32.895 22.591 -8.265 472 HG SER 72 HG SER 72 33.638 24.775 -6.982 473 H GLU 73 H GLU 73 32.794 21.971 -11.260 474 HA GLU 73 HA GLU 73 35.725 21.984 -11.522 475 HB2 GLU 73 HB2 GLU 73 34.263 19.890 -11.233 476 HB3 GLU 73 HB3 GLU 73 33.799 20.120 -12.918 477 HG2 GLU 73 HG3 GLU 73 35.676 18.596 -12.875 478 HG3 GLU 73 HG2 GLU 73 36.252 20.139 -13.507 479 H GLN 74 H GLN 74 33.883 24.067 -12.819 480 HA GLN 74 HA GLN 74 33.919 25.290 -14.816 481 HB2 GLN 74 HB2 GLN 74 36.187 23.416 -15.555 482 HB3 GLN 74 HB3 GLN 74 35.814 24.958 -16.324 483 HG2 GLN 74 HG2 GLN 74 36.161 26.078 -14.102 484 HG3 GLN 74 HG3 GLN 74 36.696 24.527 -13.455 485 HE21 GLN 74 HE21 GLN 74 38.881 23.992 -13.774 486 HE22 GLN 74 HE22 GLN 74 39.939 24.853 -14.783 487 H ASN 75 H ASN 75 32.100 23.116 -14.570 488 HA ASN 75 HA ASN 75 31.973 22.238 -17.429 489 HB2 ASN 75 HB2 ASN 75 31.062 20.649 -15.011 490 HB3 ASN 75 HB3 ASN 75 30.945 20.135 -16.693 491 HD21 ASN 75 HD21 ASN 75 32.431 18.558 -14.880 492 HD22 ASN 75 HD22 ASN 75 34.074 18.659 -15.295 493 H ASN 76 H ASN 76 29.834 22.140 -18.321 494 HA ASN 76 HA ASN 76 27.966 24.014 -17.020 495 HB2 ASN 76 HB3 ASN 76 27.747 22.584 -19.686 496 HB3 ASN 76 HB2 ASN 76 26.740 23.923 -19.136 497 HD21 ASN 76 HD21 ASN 76 28.697 25.617 -17.988 498 HD22 ASN 76 HD22 ASN 76 29.744 26.152 -19.211 499 H ILE 77 H ILE 77 26.086 23.396 -16.025 500 HA ILE 77 HA ILE 77 25.375 20.491 -16.163 501 HB ILE 77 HB ILE 77 24.915 22.429 -13.873 502 HG12 ILE 77 HG12 ILE 77 26.855 20.109 -14.080 503 HG13 ILE 77 HG13 ILE 77 27.314 21.802 -14.262 504 HG21 ILE 77 HG21 ILE 77 24.750 19.467 -13.587 505 HG22 ILE 77 HG22 ILE 77 23.420 20.265 -14.426 506 HG23 ILE 77 HG23 ILE 77 23.824 20.728 -12.773 507 HD11 ILE 77 HD11 ILE 77 26.772 20.281 -11.827 508 HD12 ILE 77 HD12 ILE 77 25.827 21.769 -11.907 509 HD13 ILE 77 HD13 ILE 77 27.586 21.833 -12.017 510 H HIS 78 H HIS 78 23.267 20.014 -16.721 511 HA HIS 78 HA HIS 78 21.336 22.289 -16.846 512 HB2 HIS 78 HB2 HIS 78 21.867 20.208 -18.986 513 HB3 HIS 78 HB3 HIS 78 20.492 21.312 -19.001 514 HD1 HIS 78 HD1 HIS 78 24.201 21.190 -19.492 515 HD2 HIS 78 HD2 HIS 78 21.168 24.051 -19.513 516 HE1 HIS 78 HE1 HIS 78 25.205 23.291 -20.489 517 H VAL 79 H VAL 79 19.031 21.384 -17.168 518 HA VAL 79 HA VAL 79 18.464 19.535 -15.048 519 HB VAL 79 HB VAL 79 16.759 20.577 -17.326 520 HG11 VAL 79 HG11 VAL 79 15.912 19.035 -14.854 521 HG12 VAL 79 HG12 VAL 79 15.934 18.383 -16.493 522 HG13 VAL 79 HG13 VAL 79 14.836 19.701 -16.083 523 HG21 VAL 79 HG21 VAL 79 17.687 21.694 -14.874 524 HG22 VAL 79 HG22 VAL 79 15.958 21.395 -14.700 525 HG23 VAL 79 HG23 VAL 79 16.550 22.399 -16.023 526 H LYS 80 H LYS 80 18.951 19.152 -18.505 527 HA LYS 80 HA LYS 80 18.398 16.227 -18.191 528 HB2 LYS 80 HB2 LYS 80 18.257 18.019 -20.633 529 HB3 LYS 80 HB3 LYS 80 18.149 16.260 -20.707 530 HG2 LYS 80 HG2 LYS 80 16.224 16.392 -19.080 531 HG3 LYS 80 HG3 LYS 80 16.275 18.147 -19.251 532 HD2 LYS 80 HD3 LYS 80 15.986 17.849 -21.729 533 HD3 LYS 80 HD2 LYS 80 15.766 16.121 -21.450 534 HE2 LYS 80 HE2 LYS 80 13.921 16.831 -19.776 535 HE3 LYS 80 HE3 LYS 80 14.003 18.406 -20.566 536 HZ1 LYS 80 HZ1 LYS 80 13.909 16.265 -22.450 537 HZ2 LYS 80 HZ2 LYS 80 12.913 17.637 -22.322 538 HZ3 LYS 80 HZ3 LYS 80 12.565 16.243 -21.414 539 H ASP 81 H ASP 81 20.518 15.682 -17.489 540 HA ASP 81 HA ASP 81 22.482 15.485 -19.655 541 HB2 ASP 81 HB2 ASP 81 22.770 17.798 -18.539 542 HB3 ASP 81 HB3 ASP 81 23.370 16.903 -17.142 543 H ILE 82 H ILE 82 24.572 14.412 -18.663 544 HA ILE 82 HA ILE 82 23.643 12.389 -16.665 545 HB ILE 82 HB ILE 82 25.809 12.108 -18.772 546 HG12 ILE 82 HG13 ILE 82 23.046 10.865 -18.714 547 HG13 ILE 82 HG12 ILE 82 23.448 12.303 -19.655 548 HG21 ILE 82 HG21 ILE 82 26.423 10.444 -17.344 549 HG22 ILE 82 HG22 ILE 82 25.032 9.595 -18.016 550 HG23 ILE 82 HG23 ILE 82 24.878 10.473 -16.494 551 HD11 ILE 82 HD11 ILE 82 24.221 9.468 -20.101 552 HD12 ILE 82 HD12 ILE 82 25.462 10.675 -20.435 553 HD13 ILE 82 HD13 ILE 82 23.913 10.749 -21.274 554 H VAL 83 H VAL 83 24.748 12.322 -14.756 555 HA VAL 83 HA VAL 83 27.457 13.579 -14.671 556 HB VAL 83 HB VAL 83 25.586 15.040 -13.707 557 HG11 VAL 83 HG11 VAL 83 25.725 13.169 -11.350 558 HG12 VAL 83 HG12 VAL 83 24.533 12.913 -12.623 559 HG13 VAL 83 HG13 VAL 83 24.530 14.416 -11.703 560 HG21 VAL 83 HG21 VAL 83 27.822 14.131 -11.868 561 HG22 VAL 83 HG22 VAL 83 26.946 15.655 -11.739 562 HG23 VAL 83 HG23 VAL 83 27.970 15.342 -13.141 563 H LYS 84 H LYS 84 28.856 12.686 -13.014 564 HA LYS 84 HA LYS 84 27.979 9.967 -12.127 565 HB2 LYS 84 HB2 LYS 84 29.887 9.997 -13.725 566 HB3 LYS 84 HB3 LYS 84 30.797 10.995 -12.590 567 HG2 LYS 84 HG3 LYS 84 30.600 9.204 -10.884 568 HG3 LYS 84 HG2 LYS 84 29.733 8.203 -12.048 569 HD2 LYS 84 HD2 LYS 84 31.739 8.415 -13.579 570 HD3 LYS 84 HD3 LYS 84 32.595 9.180 -12.239 571 HE2 LYS 84 HE2 LYS 84 31.225 6.545 -11.792 572 HE3 LYS 84 HE3 LYS 84 32.791 6.576 -12.604 573 HZ1 LYS 84 HZ1 LYS 84 33.662 6.661 -10.577 574 HZ2 LYS 84 HZ2 LYS 84 32.165 6.995 -9.846 575 HZ3 LYS 84 HZ3 LYS 84 33.103 8.259 -10.485 576 H VAL 85 H VAL 85 28.192 9.448 -9.952 577 HA VAL 85 HA VAL 85 28.651 11.706 -8.120 578 HB VAL 85 HB VAL 85 28.078 8.839 -7.351 579 HG11 VAL 85 HG21 VAL 85 27.886 11.546 -6.068 580 HG12 VAL 85 HG22 VAL 85 28.515 10.038 -5.402 581 HG13 VAL 85 HG23 VAL 85 26.774 10.275 -5.559 582 HG21 VAL 85 HG11 VAL 85 25.979 8.982 -8.162 583 HG22 VAL 85 HG12 VAL 85 26.480 10.434 -9.027 584 HG23 VAL 85 HG13 VAL 85 25.749 10.569 -7.427 585 H ILE 86 H ILE 86 30.686 12.140 -7.425 586 HA ILE 86 HA ILE 86 32.511 9.825 -6.934 587 HB ILE 86 HB ILE 86 33.252 12.496 -8.167 588 HG12 ILE 86 HG12 ILE 86 33.366 9.695 -9.322 589 HG13 ILE 86 HG13 ILE 86 32.091 10.861 -9.676 590 HG21 ILE 86 HG21 ILE 86 34.791 10.455 -6.764 591 HG22 ILE 86 HG22 ILE 86 35.292 12.058 -7.303 592 HG23 ILE 86 HG23 ILE 86 35.368 10.690 -8.413 593 HD11 ILE 86 HD11 ILE 86 35.038 11.081 -10.327 594 HD12 ILE 86 HD12 ILE 86 33.943 12.460 -10.409 595 HD13 ILE 86 HD13 ILE 86 33.682 11.063 -11.453 596 H ASP 87 H ASP 87 30.806 12.175 -5.481 597 HA ASP 87 HA ASP 87 32.944 12.689 -3.451 598 HB2 ASP 87 HB2 ASP 87 30.595 14.402 -4.301 599 HB3 ASP 87 HB3 ASP 87 31.549 14.722 -2.853 600 H GLY 88 H GLY 88 32.216 12.679 -1.210 601 HA2 GLY 88 HA2 GLY 88 30.949 11.863 0.590 602 HA3 GLY 88 HA3 GLY 88 29.537 11.938 -0.465 603 HA PRO 89 HA PRO 89 30.589 7.432 0.366 604 HB2 PRO 89 HB2 PRO 89 28.077 6.712 1.054 605 HB3 PRO 89 HB3 PRO 89 29.248 7.340 2.217 606 HG2 PRO 89 HG2 PRO 89 27.010 8.761 0.822 607 HG3 PRO 89 HG3 PRO 89 27.504 8.860 2.515 608 HD2 PRO 89 HD3 PRO 89 28.185 10.751 0.707 609 HD3 PRO 89 HD2 PRO 89 29.239 10.320 2.055 610 H HIS 90 H HIS 90 28.493 9.230 -1.674 611 HA HIS 90 HA HIS 90 27.546 6.866 -3.164 612 HB2 HIS 90 HB3 HIS 90 27.247 9.823 -3.785 613 HB3 HIS 90 HB2 HIS 90 26.394 8.503 -4.587 614 HD1 HIS 90 HD1 HIS 90 24.936 6.935 -2.833 615 HD2 HIS 90 HD2 HIS 90 25.882 10.801 -1.589 616 HE1 HIS 90 HE1 HIS 90 23.354 7.483 -0.931 617 H SER 91 H SER 91 30.185 9.047 -3.159 618 HA SER 91 HA SER 91 31.011 9.341 -5.769 619 HB2 SER 91 HB2 SER 91 32.325 10.107 -3.834 620 HB3 SER 91 HB3 SER 91 32.733 8.437 -3.442 621 HG SER 91 HG SER 91 34.040 8.325 -5.131 622 H GLY 92 H GLY 92 31.642 7.996 -7.416 623 HA2 GLY 92 HA2 GLY 92 32.712 5.962 -8.247 624 HA3 GLY 92 HA3 GLY 92 32.226 5.147 -6.759 625 H ARG 93 H ARG 93 29.642 7.004 -7.650 626 HA ARG 93 HA ARG 93 28.436 4.736 -9.187 627 HB2 ARG 93 HB3 ARG 93 27.133 6.684 -7.260 628 HB3 ARG 93 HB2 ARG 93 26.262 5.479 -8.210 629 HG2 ARG 93 HG2 ARG 93 27.619 3.690 -7.141 630 HG3 ARG 93 HG3 ARG 93 28.421 4.913 -6.153 631 HD2 ARG 93 HD2 ARG 93 26.132 5.593 -5.310 632 HD3 ARG 93 HD3 ARG 93 25.482 4.177 -6.137 633 HE ARG 93 HE ARG 93 27.645 3.825 -4.116 634 HH11 ARG 93 HH11 ARG 93 24.424 4.215 -3.816 635 HH12 ARG 93 HH12 ARG 93 24.048 2.602 -3.310 636 HH21 ARG 93 HH21 ARG 93 27.180 1.341 -4.096 637 HH22 ARG 93 HH22 ARG 93 25.609 0.975 -3.470 638 H GLU 94 H GLU 94 26.960 5.318 -10.892 639 HA GLU 94 HA GLU 94 27.460 8.061 -11.955 640 HB2 GLU 94 HB2 GLU 94 26.506 5.555 -13.377 641 HB3 GLU 94 HB3 GLU 94 26.819 7.112 -14.145 642 HG2 GLU 94 HG2 GLU 94 29.179 6.991 -13.384 643 HG3 GLU 94 HG3 GLU 94 28.855 5.410 -12.674 644 H GLY 95 H GLY 95 25.687 9.346 -12.607 645 HA2 GLY 95 HA2 GLY 95 22.962 8.256 -12.169 646 HA3 GLY 95 HA3 GLY 95 23.438 9.670 -11.228 647 H GLU 96 H GLU 96 21.294 9.904 -12.947 648 HA GLU 96 HA GLU 96 22.439 11.483 -15.217 649 HB2 GLU 96 HB3 GLU 96 21.111 9.475 -15.912 650 HB3 GLU 96 HB2 GLU 96 19.712 10.163 -15.089 651 HG2 GLU 96 HG2 GLU 96 19.908 12.190 -16.530 652 HG3 GLU 96 HG3 GLU 96 21.236 11.416 -17.393 653 H ILE 97 H ILE 97 21.624 13.573 -15.512 654 HA ILE 97 HA ILE 97 20.263 14.734 -13.178 655 HB ILE 97 HB ILE 97 21.333 15.965 -15.735 656 HG12 ILE 97 HG12 ILE 97 22.339 16.140 -12.880 657 HG13 ILE 97 HG13 ILE 97 22.992 15.033 -14.089 658 HG21 ILE 97 HG21 ILE 97 21.075 18.006 -13.932 659 HG22 ILE 97 HG22 ILE 97 19.654 17.033 -13.549 660 HG23 ILE 97 HG23 ILE 97 19.890 17.643 -15.187 661 HD11 ILE 97 HD11 ILE 97 24.270 16.677 -14.941 662 HD12 ILE 97 HD12 ILE 97 23.682 17.761 -13.678 663 HD13 ILE 97 HD13 ILE 97 22.839 17.669 -15.224 664 H ARG 98 H ARG 98 18.073 14.463 -13.134 665 HA ARG 98 HA ARG 98 16.570 14.648 -15.701 666 HB2 ARG 98 HB3 ARG 98 16.225 12.661 -14.163 667 HB3 ARG 98 HB2 ARG 98 15.523 13.780 -12.993 668 HG2 ARG 98 HG2 ARG 98 13.757 14.384 -14.511 669 HG3 ARG 98 HG3 ARG 98 14.536 13.535 -15.845 670 HD2 ARG 98 HD2 ARG 98 14.234 11.391 -14.654 671 HD3 ARG 98 HD3 ARG 98 13.447 12.243 -13.326 672 HE ARG 98 HE ARG 98 11.489 12.122 -14.615 673 HH11 ARG 98 HH11 ARG 98 10.752 13.439 -16.541 674 HH12 ARG 98 HH12 ARG 98 11.405 12.908 -18.055 675 HH21 ARG 98 HH21 ARG 98 13.863 10.936 -16.606 676 HH22 ARG 98 HH22 ARG 98 13.166 11.491 -18.092 677 H HIS 99 H HIS 99 16.168 15.719 -12.300 678 HA HIS 99 HA HIS 99 14.887 18.196 -13.387 679 HB2 HIS 99 HB2 HIS 99 14.490 17.328 -10.547 680 HB3 HIS 99 HB3 HIS 99 13.399 18.221 -11.605 681 HD1 HIS 99 HD1 HIS 99 11.968 16.849 -13.292 682 HD2 HIS 99 HD2 HIS 99 14.335 14.499 -10.792 683 HE1 HIS 99 HE1 HIS 99 11.131 14.472 -13.539 684 H LEU 100 H LEU 100 15.680 20.172 -12.645 685 HA LEU 100 HA LEU 100 17.966 20.024 -10.719 686 HB2 LEU 100 HB2 LEU 100 18.631 20.463 -13.127 687 HB3 LEU 100 HB3 LEU 100 17.730 21.976 -13.023 688 HG LEU 100 HG LEU 100 19.261 22.075 -10.743 689 HD11 LEU 100 HD21 LEU 100 21.289 21.053 -10.998 690 HD12 LEU 100 HD22 LEU 100 21.314 21.321 -12.740 691 HD13 LEU 100 HD23 LEU 100 20.387 19.980 -12.069 692 HD21 LEU 100 HD11 LEU 100 19.498 23.185 -13.511 693 HD22 LEU 100 HD12 LEU 100 20.823 23.474 -12.384 694 HD23 LEU 100 HD13 LEU 100 19.194 24.025 -11.991 695 H PHE 101 H PHE 101 17.780 21.384 -8.991 696 HA PHE 101 HA PHE 101 15.922 23.705 -9.205 697 HB2 PHE 101 HB2 PHE 101 14.699 21.825 -8.133 698 HB3 PHE 101 HB3 PHE 101 15.963 21.721 -6.908 699 HD1 PHE 101 HD1 PHE 101 16.214 23.448 -5.198 700 HD2 PHE 101 HD2 PHE 101 13.158 23.727 -8.203 701 HE1 PHE 101 HE1 PHE 101 15.093 25.233 -3.892 702 HE2 PHE 101 HE2 PHE 101 12.037 25.512 -6.898 703 HZ PHE 101 HZ PHE 101 13.004 26.265 -4.742 704 H ARG 102 H ARG 102 17.290 25.403 -8.854 705 HA ARG 102 HA ARG 102 19.000 26.694 -7.888 706 HB2 ARG 102 HB2 ARG 102 18.296 25.084 -5.414 707 HB3 ARG 102 HB3 ARG 102 19.057 26.674 -5.459 708 HG2 ARG 102 HG2 ARG 102 16.975 27.483 -6.702 709 HG3 ARG 102 HG3 ARG 102 16.232 25.946 -6.260 710 HD2 ARG 102 HD2 ARG 102 16.640 26.428 -3.876 711 HD3 ARG 102 HD3 ARG 102 17.399 27.959 -4.312 712 HE ARG 102 HE ARG 102 14.549 27.468 -4.173 713 HH11 ARG 102 HH11 ARG 102 15.530 30.139 -3.619 714 HH12 ARG 102 HH12 ARG 102 15.178 31.022 -5.068 715 HH21 ARG 102 HH21 ARG 102 14.739 28.183 -7.008 716 HH22 ARG 102 HH22 ARG 102 14.730 29.914 -6.986 717 H SER 103 H SER 103 20.577 25.539 -5.519 718 HA SER 103 HA SER 103 22.700 24.372 -7.112 719 HB2 SER 103 HB2 SER 103 23.968 24.348 -5.105 720 HB3 SER 103 HB3 SER 103 22.934 25.770 -4.963 721 HG SER 103 HG SER 103 22.055 24.898 -3.291 722 H PHE 104 H PHE 104 19.859 23.061 -5.997 723 HA PHE 104 HA PHE 104 21.080 20.364 -5.600 724 HB2 PHE 104 HB2 PHE 104 18.318 21.392 -4.871 725 HB3 PHE 104 HB3 PHE 104 18.898 19.752 -4.585 726 HD1 PHE 104 HD1 PHE 104 19.049 23.242 -3.506 727 HD2 PHE 104 HD2 PHE 104 20.740 19.329 -2.975 728 HE1 PHE 104 HE1 PHE 104 20.094 23.981 -1.381 729 HE2 PHE 104 HE2 PHE 104 21.784 20.068 -0.850 730 HZ PHE 104 HZ PHE 104 21.461 22.394 -0.054 731 H ALA 105 H ALA 105 20.217 18.591 -6.815 732 HA ALA 105 HA ALA 105 18.255 19.227 -8.941 733 HB1 ALA 105 HB1 ALA 105 19.649 18.787 -10.741 734 HB2 ALA 105 HB2 ALA 105 20.741 17.787 -9.783 735 HB3 ALA 105 HB3 ALA 105 20.801 19.544 -9.641 736 H PHE 106 H PHE 106 17.054 17.415 -9.542 737 HA PHE 106 HA PHE 106 17.451 15.020 -7.857 738 HB2 PHE 106 HB2 PHE 106 15.239 15.805 -9.778 739 HB3 PHE 106 HB3 PHE 106 15.246 14.327 -8.815 740 HD1 PHE 106 HD1 PHE 106 15.141 18.030 -8.667 741 HD2 PHE 106 HD2 PHE 106 14.806 14.368 -6.448 742 HE1 PHE 106 HE1 PHE 106 14.240 19.287 -6.729 743 HE2 PHE 106 HE2 PHE 106 13.904 15.625 -4.509 744 HZ PHE 106 HZ PHE 106 13.621 18.084 -4.649 745 H LEU 107 H LEU 107 18.172 13.075 -8.649 746 HA LEU 107 HA LEU 107 18.803 12.981 -11.572 747 HB2 LEU 107 HB3 LEU 107 20.097 11.522 -9.249 748 HB3 LEU 107 HB2 LEU 107 20.551 11.332 -10.943 749 HG LEU 107 HG LEU 107 20.589 14.080 -10.597 750 HD11 LEU 107 HD11 LEU 107 21.423 14.648 -8.521 751 HD12 LEU 107 HD12 LEU 107 22.161 13.066 -8.269 752 HD13 LEU 107 HD13 LEU 107 20.422 13.273 -8.051 753 HD21 LEU 107 HD21 LEU 107 23.180 12.933 -10.018 754 HD22 LEU 107 HD22 LEU 107 22.618 13.705 -11.501 755 HD23 LEU 107 HD23 LEU 107 22.356 11.978 -11.252 756 H HIS 108 H HIS 108 18.484 10.910 -12.649 757 HA HIS 108 HA HIS 108 16.420 9.227 -11.281 758 HB2 HIS 108 HB2 HIS 108 15.426 10.351 -13.171 759 HB3 HIS 108 HB3 HIS 108 16.780 9.909 -14.211 760 HD1 HIS 108 HD1 HIS 108 15.889 8.201 -15.806 761 HD2 HIS 108 HD2 HIS 108 14.584 7.498 -11.909 762 HE1 HIS 108 HE1 HIS 108 14.606 6.018 -15.862 763 H CYS 109 H CYS 109 16.860 7.060 -11.108 764 HA CYS 109 HA CYS 109 19.233 6.027 -12.610 765 HB2 CYS 109 HB3 CYS 109 19.636 6.367 -10.143 766 HB3 CYS 109 HB2 CYS 109 18.372 5.179 -9.830 767 HG CYS 109 HG CYS 109 21.201 4.548 -10.803 768 H LYS 110 H LYS 110 18.212 4.836 -14.197 769 HA LYS 110 HA LYS 110 15.743 3.460 -13.925 770 HB2 LYS 110 HB2 LYS 110 16.881 3.953 -16.098 771 HB3 LYS 110 HB3 LYS 110 18.065 2.699 -15.723 772 HG2 LYS 110 HG2 LYS 110 16.427 1.632 -17.090 773 HG3 LYS 110 HG3 LYS 110 16.069 1.114 -15.441 774 HD2 LYS 110 HD2 LYS 110 14.318 2.809 -15.253 775 HD3 LYS 110 HD3 LYS 110 14.715 3.433 -16.855 776 HE2 LYS 110 HE2 LYS 110 13.611 1.750 -17.915 777 HE3 LYS 110 HE3 LYS 110 14.182 0.532 -16.775 778 HZ1 LYS 110 HZ1 LYS 110 12.441 0.879 -15.380 779 HZ2 LYS 110 HZ2 LYS 110 11.680 1.279 -16.846 780 HZ3 LYS 110 HZ3 LYS 110 12.249 2.506 -15.818 781 H LYS 111 H LYS 111 19.040 2.485 -13.135 782 HA LYS 111 HA LYS 111 18.618 -0.303 -12.817 783 HB2 LYS 111 HB2 LYS 111 20.408 1.475 -11.131 784 HB3 LYS 111 HB3 LYS 111 20.573 -0.266 -11.356 785 HG2 LYS 111 HG2 LYS 111 20.721 1.776 -13.595 786 HG3 LYS 111 HG3 LYS 111 22.124 1.050 -12.811 787 HD2 LYS 111 HD2 LYS 111 21.222 -1.211 -13.456 788 HD3 LYS 111 HD3 LYS 111 19.970 -0.388 -14.387 789 HE2 LYS 111 HE2 LYS 111 21.531 -0.614 -16.061 790 HE3 LYS 111 HE3 LYS 111 22.123 0.894 -15.364 791 HZ1 LYS 111 HZ1 LYS 111 23.937 -0.101 -14.551 792 HZ2 LYS 111 HZ2 LYS 111 23.600 -1.327 -15.678 793 HZ3 LYS 111 HZ3 LYS 111 23.097 -1.491 -14.064 794 H LEU 112 H LEU 112 17.803 2.411 -10.729 795 HA LEU 112 HA LEU 112 16.858 0.532 -8.628 796 HB2 LEU 112 HB3 LEU 112 18.271 2.602 -8.090 797 HB3 LEU 112 HB2 LEU 112 16.851 3.556 -8.515 798 HG LEU 112 HG LEU 112 17.103 3.012 -6.039 799 HD11 LEU 112 HD11 LEU 112 14.856 3.166 -7.680 800 HD12 LEU 112 HD12 LEU 112 14.866 3.295 -5.921 801 HD13 LEU 112 HD13 LEU 112 14.560 1.738 -6.690 802 HD21 LEU 112 HD21 LEU 112 16.902 0.838 -5.262 803 HD22 LEU 112 HD22 LEU 112 17.756 0.544 -6.777 804 HD23 LEU 112 HD23 LEU 112 16.011 0.300 -6.686 805 H VAL 113 H VAL 113 14.726 -0.010 -8.600 806 HA VAL 113 HA VAL 113 12.818 1.822 -10.000 807 HB VAL 113 HB VAL 113 12.435 -1.148 -9.567 808 HG11 VAL 113 HG11 VAL 113 10.398 -0.702 -10.416 809 HG12 VAL 113 HG12 VAL 113 11.162 -0.106 -11.890 810 HG13 VAL 113 HG13 VAL 113 10.817 1.005 -10.564 811 HG21 VAL 113 HG21 VAL 113 14.206 -1.312 -11.017 812 HG22 VAL 113 HG22 VAL 113 14.014 0.343 -11.599 813 HG23 VAL 113 HG23 VAL 113 12.963 -0.935 -12.210 814 H GLU 114 H GLU 114 13.600 0.193 -7.050 815 HA GLU 114 HA GLU 114 11.230 -0.146 -5.689 816 HB2 GLU 114 HB2 GLU 114 13.717 1.252 -4.656 817 HB3 GLU 114 HB3 GLU 114 12.418 0.635 -3.634 818 HG2 GLU 114 HG2 GLU 114 12.796 -1.637 -4.635 819 HG3 GLU 114 HG3 GLU 114 14.194 -0.980 -5.486 820 H ASN 115 H ASN 115 12.886 2.995 -6.132 821 HA ASN 115 HA ASN 115 10.246 4.302 -5.616 822 HB2 ASN 115 HB3 ASN 115 11.325 6.079 -4.435 823 HB3 ASN 115 HB2 ASN 115 11.991 4.589 -3.768 824 HD21 ASN 115 HD21 ASN 115 13.479 6.998 -3.582 825 HD22 ASN 115 HD22 ASN 115 14.820 6.915 -4.618 826 H GLY 116 H GLY 116 11.288 3.507 -8.181 827 HA2 GLY 116 HA3 GLY 116 11.443 4.458 -10.327 828 HA3 GLY 116 HA2 GLY 116 11.025 6.006 -9.594 829 H GLY 117 H GLY 117 13.654 4.544 -8.034 830 HA2 GLY 117 HA2 GLY 117 15.906 5.201 -7.903 831 HA3 GLY 117 HA3 GLY 117 15.869 5.109 -9.664 832 H MET 118 H MET 118 14.381 7.302 -7.246 833 HA MET 118 HA MET 118 15.475 9.573 -8.860 834 HB2 MET 118 HB2 MET 118 12.949 9.440 -7.186 835 HB3 MET 118 HB3 MET 118 13.543 10.886 -8.002 836 HG2 MET 118 HG2 MET 118 12.712 8.283 -9.318 837 HG3 MET 118 HG3 MET 118 11.858 9.824 -9.406 838 HE1 MET 118 HE1 MET 118 14.022 12.118 -11.466 839 HE2 MET 118 HE2 MET 118 13.528 12.008 -9.779 840 HE3 MET 118 HE3 MET 118 12.355 11.692 -11.054 841 H PHE 119 H PHE 119 17.222 10.359 -7.775 842 HA PHE 119 HA PHE 119 16.888 10.884 -4.854 843 HB2 PHE 119 HB2 PHE 119 19.266 10.300 -4.516 844 HB3 PHE 119 HB3 PHE 119 18.354 8.922 -5.129 845 HD1 PHE 119 HD1 PHE 119 18.525 8.273 -7.533 846 HD2 PHE 119 HD2 PHE 119 20.995 11.341 -5.818 847 HE1 PHE 119 HE1 PHE 119 20.061 8.123 -9.475 848 HE2 PHE 119 HE2 PHE 119 22.530 11.191 -7.760 849 HZ PHE 119 HZ PHE 119 22.063 9.582 -9.588 850 H VAL 120 H VAL 120 17.855 12.827 -4.140 851 HA VAL 120 HA VAL 120 18.793 14.615 -6.347 852 HB VAL 120 HB VAL 120 16.739 15.456 -5.438 853 HG11 VAL 120 HG11 VAL 120 17.213 15.967 -2.737 854 HG12 VAL 120 HG12 VAL 120 17.831 14.334 -2.986 855 HG13 VAL 120 HG13 VAL 120 16.157 14.715 -3.391 856 HG21 VAL 120 HG21 VAL 120 17.520 17.552 -4.257 857 HG22 VAL 120 HG22 VAL 120 18.334 17.224 -5.788 858 HG23 VAL 120 HG23 VAL 120 19.146 16.866 -4.262 859 H CYS 121 H CYS 121 20.522 16.111 -5.808 860 HA CYS 121 HA CYS 121 21.938 15.838 -3.268 861 HB2 CYS 121 HB3 CYS 121 22.540 13.872 -5.032 862 HB3 CYS 121 HB2 CYS 121 23.676 15.111 -5.565 863 HG CYS 121 HG CYS 121 24.423 13.465 -3.407 864 H LYS 122 H LYS 122 24.154 17.095 -3.524 865 HA LYS 122 HA LYS 122 23.479 19.682 -4.699 866 HB2 LYS 122 HB2 LYS 122 25.928 18.657 -3.238 867 HB3 LYS 122 HB3 LYS 122 25.772 20.312 -3.825 868 HG2 LYS 122 HG2 LYS 122 23.612 20.468 -2.506 869 HG3 LYS 122 HG3 LYS 122 24.024 18.912 -1.785 870 HD2 LYS 122 HD2 LYS 122 26.214 19.916 -1.051 871 HD3 LYS 122 HD3 LYS 122 25.630 21.479 -1.621 872 HE2 LYS 122 HE2 LYS 122 25.130 21.409 0.716 873 HE3 LYS 122 HE3 LYS 122 23.600 21.115 -0.111 874 HZ1 LYS 122 HZ1 LYS 122 24.768 18.644 0.163 875 HZ2 LYS 122 HZ2 LYS 122 23.462 19.255 1.062 876 HZ3 LYS 122 HZ3 LYS 122 25.049 19.413 1.648 877 H THR 123 H THR 123 23.835 20.103 -6.810 878 HA THR 123 HA THR 123 25.043 18.527 -8.722 879 HB THR 123 HB THR 123 25.264 20.490 -10.095 880 HG1 THR 123 HG1 THR 123 26.127 22.157 -9.191 881 HG21 THR 123 HG21 THR 123 22.944 19.790 -9.122 882 HG22 THR 123 HG22 THR 123 23.083 21.336 -9.959 883 HG23 THR 123 HG23 THR 123 23.071 21.285 -8.196 884 H ARG 124 H ARG 124 26.634 20.496 -6.307 885 HA ARG 124 HA ARG 124 29.247 20.528 -7.512 886 HB2 ARG 124 HB2 ARG 124 28.496 22.003 -5.612 887 HB3 ARG 124 HB3 ARG 124 28.586 20.596 -4.554 888 HG2 ARG 124 HG2 ARG 124 30.981 20.323 -5.158 889 HG3 ARG 124 HG3 ARG 124 30.878 21.770 -6.160 890 HD2 ARG 124 HD2 ARG 124 30.193 23.074 -4.146 891 HD3 ARG 124 HD3 ARG 124 30.409 21.623 -3.166 892 HE ARG 124 HE ARG 124 32.846 21.707 -3.947 893 HH11 ARG 124 HH11 ARG 124 32.991 23.530 -1.867 894 HH12 ARG 124 HH12 ARG 124 33.315 25.074 -2.583 895 HH21 ARG 124 HH21 ARG 124 32.312 24.107 -5.758 896 HH22 ARG 124 HH22 ARG 124 32.931 25.401 -4.785 897 H HIS 125 H HIS 125 27.659 18.300 -5.230 898 HA HIS 125 HA HIS 125 29.982 16.636 -4.849 899 HB2 HIS 125 HB2 HIS 125 27.028 16.026 -4.531 900 HB3 HIS 125 HB3 HIS 125 28.330 14.961 -3.998 901 HD1 HIS 125 HD1 HIS 125 26.404 16.145 -1.906 902 HD2 HIS 125 HD2 HIS 125 30.001 17.950 -2.996 903 HE1 HIS 125 HE1 HIS 125 27.065 17.647 0.022 904 H LEU 126 H LEU 126 27.654 16.926 -7.395 905 HA LEU 126 HA LEU 126 28.325 14.263 -8.499 906 HB2 LEU 126 HB2 LEU 126 26.559 16.416 -9.695 907 HB3 LEU 126 HB3 LEU 126 26.617 14.713 -10.149 908 HG LEU 126 HG LEU 126 25.746 15.808 -7.456 909 HD11 LEU 126 HD11 LEU 126 23.698 15.928 -8.378 910 HD12 LEU 126 HD12 LEU 126 23.777 14.206 -8.750 911 HD13 LEU 126 HD13 LEU 126 24.351 15.389 -9.926 912 HD21 LEU 126 HD21 LEU 126 24.978 13.159 -7.621 913 HD22 LEU 126 HD22 LEU 126 26.386 13.752 -6.740 914 HD23 LEU 126 HD23 LEU 126 26.568 13.143 -8.385 915 H VAL 127 H VAL 127 29.538 13.990 -10.398 916 HA VAL 127 HA VAL 127 30.912 16.457 -11.388 917 HB VAL 127 HB VAL 127 31.959 13.610 -11.348 918 HG11 VAL 127 HG11 VAL 127 32.674 15.739 -12.983 919 HG12 VAL 127 HG12 VAL 127 33.688 14.344 -12.612 920 HG13 VAL 127 HG13 VAL 127 33.845 15.826 -11.668 921 HG21 VAL 127 HG21 VAL 127 33.416 15.593 -9.795 922 HG22 VAL 127 HG22 VAL 127 32.794 14.020 -9.292 923 HG23 VAL 127 HG23 VAL 127 31.750 15.440 -9.237 924 H LEU 128 H LEU 128 30.824 16.844 -13.576 925 HA LEU 128 HA LEU 128 29.042 15.163 -15.182 926 HB2 LEU 128 HB2 LEU 128 30.653 17.635 -15.887 927 HB3 LEU 128 HB3 LEU 128 29.483 16.860 -16.956 928 HG LEU 128 HG LEU 128 27.815 17.138 -14.991 929 HD11 LEU 128 HD21 LEU 128 30.183 18.739 -14.105 930 HD12 LEU 128 HD22 LEU 128 29.042 17.800 -13.141 931 HD13 LEU 128 HD23 LEU 128 28.574 19.380 -13.771 932 HD21 LEU 128 HD11 LEU 128 27.823 18.441 -17.141 933 HD22 LEU 128 HD12 LEU 128 28.843 19.645 -16.352 934 HD23 LEU 128 HD13 LEU 128 27.206 19.355 -15.765 935 H ALA 129 H ALA 129 29.680 13.645 -16.659 936 HA ALA 129 HA ALA 129 32.615 13.251 -17.002 937 HB1 ALA 129 HB1 ALA 129 32.094 11.093 -16.621 938 HB2 ALA 129 HB2 ALA 129 31.198 11.087 -18.141 939 HB3 ALA 129 HB3 ALA 129 30.372 11.469 -16.631 940 H GLY 130 H GLY 130 33.498 13.052 -19.104 941 HA2 GLY 130 HA2 GLY 130 33.637 13.412 -21.420 942 HA3 GLY 130 HA3 GLY 130 31.913 13.048 -21.502 Start of MODEL 4 1 H GLN 16 H GLN 16 -2.648 11.080 -13.381 2 HA GLN 16 HA GLN 16 -4.712 12.916 -13.235 3 HB2 GLN 16 HB2 GLN 16 -3.633 12.323 -10.461 4 HB3 GLN 16 HB3 GLN 16 -4.664 13.695 -10.867 5 HG2 GLN 16 HG2 GLN 16 -6.435 12.162 -11.616 6 HG3 GLN 16 HG3 GLN 16 -5.402 10.778 -11.256 7 HE21 GLN 16 HE21 GLN 16 -7.892 11.017 -9.935 8 HE22 GLN 16 HE22 GLN 16 -7.632 11.395 -8.301 9 H HIS 17 H HIS 17 -1.493 12.321 -11.825 10 HA HIS 17 HA HIS 17 -0.683 15.018 -12.837 11 HB2 HIS 17 HB2 HIS 17 0.408 13.379 -10.531 12 HB3 HIS 17 HB3 HIS 17 1.146 14.868 -11.119 13 HD1 HIS 17 HD1 HIS 17 -2.211 15.585 -11.647 14 HD2 HIS 17 HD2 HIS 17 0.045 15.243 -8.160 15 HE1 HIS 17 HE1 HIS 17 -3.475 16.846 -9.851 16 H GLU 18 H GLU 18 2.091 14.628 -12.692 17 HA GLU 18 HA GLU 18 2.498 12.430 -14.681 18 HB2 GLU 18 HB2 GLU 18 3.845 15.147 -14.558 19 HB3 GLU 18 HB3 GLU 18 4.252 13.867 -15.700 20 HG2 GLU 18 HG3 GLU 18 1.905 13.908 -16.535 21 HG3 GLU 18 HG2 GLU 18 1.563 15.249 -15.442 22 H TRP 19 H TRP 19 4.552 11.342 -14.566 23 HA TRP 19 HA TRP 19 5.600 11.161 -11.844 24 HB2 TRP 19 HB3 TRP 19 5.324 9.162 -13.306 25 HB3 TRP 19 HB2 TRP 19 6.559 9.810 -14.385 26 HD1 TRP 19 HD1 TRP 19 6.118 8.566 -10.772 27 HE1 TRP 19 HE1 TRP 19 8.410 7.768 -9.903 28 HE3 TRP 19 HE3 TRP 19 9.078 9.927 -14.704 29 HZ2 TRP 19 HZ2 TRP 19 11.138 7.714 -10.759 30 HZ3 TRP 19 HZ3 TRP 19 11.517 9.492 -14.651 31 HH2 TRP 19 HH2 TRP 19 12.549 8.389 -12.686 32 H GLY 20 H GLY 20 7.544 11.980 -11.110 33 HA2 GLY 20 HA3 GLY 20 9.742 12.911 -11.313 34 HA3 GLY 20 HA2 GLY 20 9.479 13.090 -13.047 35 H GLU 21 H GLU 21 6.775 14.184 -11.378 36 HA GLU 21 HA GLU 21 7.156 16.905 -12.174 37 HB2 GLU 21 HB2 GLU 21 4.925 15.891 -11.770 38 HB3 GLU 21 HB3 GLU 21 5.292 15.805 -10.047 39 HG2 GLU 21 HG3 GLU 21 5.612 18.280 -10.030 40 HG3 GLU 21 HG2 GLU 21 5.132 18.327 -11.726 41 H LEU 22 H LEU 22 8.628 18.265 -11.290 42 HA LEU 22 HA LEU 22 9.740 17.801 -8.632 43 HB2 LEU 22 HB2 LEU 22 10.965 18.819 -10.645 44 HB3 LEU 22 HB3 LEU 22 10.058 20.295 -10.322 45 HG LEU 22 HG LEU 22 12.360 20.188 -9.255 46 HD11 LEU 22 HD11 LEU 22 9.957 21.217 -8.309 47 HD12 LEU 22 HD12 LEU 22 11.563 21.628 -7.710 48 HD13 LEU 22 HD13 LEU 22 10.621 20.368 -6.914 49 HD21 LEU 22 HD21 LEU 22 12.083 17.723 -8.659 50 HD22 LEU 22 HD22 LEU 22 11.029 18.255 -7.348 51 HD23 LEU 22 HD23 LEU 22 12.721 18.753 -7.377 52 H VAL 23 H VAL 23 9.321 19.030 -6.762 53 HA VAL 23 HA VAL 23 7.307 21.203 -6.951 54 HB VAL 23 HB VAL 23 5.929 20.224 -5.187 55 HG11 VAL 23 HG21 VAL 23 5.714 19.545 -7.685 56 HG12 VAL 23 HG22 VAL 23 4.868 18.566 -6.486 57 HG13 VAL 23 HG23 VAL 23 6.393 18.002 -7.170 58 HG21 VAL 23 HG11 VAL 23 8.032 18.974 -4.250 59 HG22 VAL 23 HG12 VAL 23 7.536 17.686 -5.348 60 HG23 VAL 23 HG13 VAL 23 6.444 18.228 -4.073 61 H GLN 24 H GLN 24 7.294 22.555 -5.015 62 HA GLN 24 HA GLN 24 9.755 22.209 -3.347 63 HB2 GLN 24 HB3 GLN 24 9.955 24.100 -4.937 64 HB3 GLN 24 HB2 GLN 24 8.481 24.804 -4.270 65 HG2 GLN 24 HG2 GLN 24 9.531 25.033 -2.082 66 HG3 GLN 24 HG3 GLN 24 10.978 24.205 -2.656 67 HE21 GLN 24 HE21 GLN 24 11.740 26.551 -1.772 68 HE22 GLN 24 HE22 GLN 24 11.914 27.714 -2.997 69 H LEU 25 H LEU 25 8.997 21.532 -1.385 70 HA LEU 25 HA LEU 25 6.374 22.183 -0.380 71 HB2 LEU 25 HB3 LEU 25 7.712 20.168 0.300 72 HB3 LEU 25 HB2 LEU 25 8.789 21.242 1.194 73 HG LEU 25 HG LEU 25 7.024 21.927 2.665 74 HD11 LEU 25 HD21 LEU 25 5.313 20.760 0.514 75 HD12 LEU 25 HD22 LEU 25 5.083 22.233 1.457 76 HD13 LEU 25 HD23 LEU 25 4.713 20.663 2.170 77 HD21 LEU 25 HD11 LEU 25 6.891 19.982 3.853 78 HD22 LEU 25 HD12 LEU 25 7.954 19.366 2.588 79 HD23 LEU 25 HD13 LEU 25 6.216 19.084 2.494 80 H ASP 26 H ASP 26 9.614 23.523 0.183 81 HA ASP 26 HA ASP 26 8.324 25.953 1.291 82 HB2 ASP 26 HB3 ASP 26 9.786 23.995 2.859 83 HB3 ASP 26 HB2 ASP 26 10.597 25.561 2.900 84 HA PRO 27 HA PRO 27 11.559 28.189 -0.757 85 HB2 PRO 27 HB3 PRO 27 12.654 29.817 1.106 86 HB3 PRO 27 HB2 PRO 27 11.046 30.079 0.423 87 HG2 PRO 27 HG2 PRO 27 11.819 28.806 3.025 88 HG3 PRO 27 HG3 PRO 27 10.535 29.975 2.699 89 HD2 PRO 27 HD2 PRO 27 10.022 27.342 2.962 90 HD3 PRO 27 HD3 PRO 27 9.104 28.360 1.850 91 H GLN 28 H GLN 28 12.375 26.013 1.692 92 HA GLN 28 HA GLN 28 15.214 26.045 0.783 93 HB2 GLN 28 HB2 GLN 28 14.895 27.126 3.080 94 HB3 GLN 28 HB3 GLN 28 14.425 25.527 3.657 95 HG2 GLN 28 HG2 GLN 28 16.614 24.663 2.691 96 HG3 GLN 28 HG3 GLN 28 17.079 26.349 2.452 97 HE21 GLN 28 HE21 GLN 28 18.404 27.014 4.147 98 HE22 GLN 28 HE22 GLN 28 18.186 26.597 5.778 99 H THR 29 H THR 29 12.446 24.362 0.800 100 HA THR 29 HA THR 29 13.901 21.760 0.916 101 HB THR 29 HB THR 29 11.109 22.281 1.985 102 HG1 THR 29 HG1 THR 29 12.764 23.026 3.350 103 HG21 THR 29 HG21 THR 29 12.382 19.766 2.695 104 HG22 THR 29 HG22 THR 29 12.227 19.936 0.946 105 HG23 THR 29 HG23 THR 29 10.798 20.050 1.974 106 H VAL 30 H VAL 30 13.648 20.648 -0.957 107 HA VAL 30 HA VAL 30 11.276 21.312 -2.659 108 HB VAL 30 HB VAL 30 12.741 20.839 -4.622 109 HG11 VAL 30 HG21 VAL 30 13.473 23.005 -2.654 110 HG12 VAL 30 HG22 VAL 30 12.527 23.141 -4.137 111 HG13 VAL 30 HG23 VAL 30 14.271 22.894 -4.222 112 HG21 VAL 30 HG11 VAL 30 15.225 20.814 -4.163 113 HG22 VAL 30 HG12 VAL 30 14.375 19.373 -3.602 114 HG23 VAL 30 HG13 VAL 30 14.846 20.624 -2.452 115 H GLY 31 H GLY 31 10.599 19.497 -4.078 116 HA2 GLY 31 HA2 GLY 31 11.636 16.832 -3.461 117 HA3 GLY 31 HA3 GLY 31 10.013 17.129 -2.839 118 H VAL 32 H VAL 32 10.700 15.206 -4.902 119 HA VAL 32 HA VAL 32 9.130 16.396 -7.152 120 HB VAL 32 HB VAL 32 11.508 16.163 -7.800 121 HG11 VAL 32 HG21 VAL 32 12.513 13.927 -7.917 122 HG12 VAL 32 HG22 VAL 32 11.047 13.219 -7.240 123 HG13 VAL 32 HG23 VAL 32 12.041 14.295 -6.258 124 HG21 VAL 32 HG11 VAL 32 11.102 14.600 -9.770 125 HG22 VAL 32 HG12 VAL 32 9.923 15.899 -9.581 126 HG23 VAL 32 HG13 VAL 32 9.521 14.261 -9.065 127 H ILE 33 H ILE 33 7.458 15.128 -7.889 128 HA ILE 33 HA ILE 33 6.491 12.976 -6.290 129 HB ILE 33 HB ILE 33 5.838 13.780 -9.140 130 HG12 ILE 33 HG12 ILE 33 4.309 14.194 -6.555 131 HG13 ILE 33 HG13 ILE 33 5.353 15.413 -7.286 132 HG21 ILE 33 HG21 ILE 33 5.131 11.407 -7.670 133 HG22 ILE 33 HG22 ILE 33 4.648 11.875 -9.300 134 HG23 ILE 33 HG23 ILE 33 3.690 12.393 -7.913 135 HD11 ILE 33 HD11 ILE 33 2.668 14.476 -8.120 136 HD12 ILE 33 HD12 ILE 33 3.822 14.723 -9.430 137 HD13 ILE 33 HD13 ILE 33 3.429 16.052 -8.339 138 H VAL 34 H VAL 34 6.727 10.754 -6.481 139 HA VAL 34 HA VAL 34 8.422 9.763 -8.727 140 HB VAL 34 HB VAL 34 9.852 8.600 -7.299 141 HG11 VAL 34 HG11 VAL 34 10.164 11.009 -6.955 142 HG12 VAL 34 HG12 VAL 34 10.462 10.142 -5.448 143 HG13 VAL 34 HG13 VAL 34 8.939 11.000 -5.684 144 HG21 VAL 34 HG21 VAL 34 8.018 7.435 -6.069 145 HG22 VAL 34 HG22 VAL 34 7.809 8.876 -5.072 146 HG23 VAL 34 HG23 VAL 34 9.318 7.965 -5.002 147 H ARG 35 H ARG 35 5.918 9.082 -6.332 148 HA ARG 35 HA ARG 35 5.010 6.839 -8.081 149 HB2 ARG 35 HB2 ARG 35 6.125 5.902 -6.071 150 HB3 ARG 35 HB3 ARG 35 5.027 6.824 -5.046 151 HG2 ARG 35 HG2 ARG 35 4.114 4.607 -5.222 152 HG3 ARG 35 HG3 ARG 35 3.111 5.651 -6.228 153 HD2 ARG 35 HD2 ARG 35 4.439 4.958 -8.217 154 HD3 ARG 35 HD3 ARG 35 5.365 3.862 -7.192 155 HE ARG 35 HE ARG 35 2.457 3.555 -7.798 156 HH11 ARG 35 HH11 ARG 35 5.301 2.012 -8.288 157 HH12 ARG 35 HH12 ARG 35 4.888 0.535 -7.483 158 HH21 ARG 35 HH21 ARG 35 1.992 1.808 -6.061 159 HH22 ARG 35 HH22 ARG 35 3.015 0.419 -6.223 160 H LEU 36 H LEU 36 3.028 7.407 -8.827 161 HA LEU 36 HA LEU 36 1.423 9.389 -7.354 162 HB2 LEU 36 HB2 LEU 36 0.872 7.964 -9.973 163 HB3 LEU 36 HB3 LEU 36 -0.040 9.330 -9.331 164 HG LEU 36 HG LEU 36 2.290 10.516 -9.245 165 HD11 LEU 36 HD11 LEU 36 3.423 9.450 -11.504 166 HD12 LEU 36 HD12 LEU 36 2.840 8.001 -10.684 167 HD13 LEU 36 HD13 LEU 36 3.953 9.092 -9.860 168 HD21 LEU 36 HD21 LEU 36 1.791 11.535 -11.286 169 HD22 LEU 36 HD22 LEU 36 0.240 10.803 -10.870 170 HD23 LEU 36 HD23 LEU 36 1.301 10.016 -12.038 171 H GLU 37 H GLU 37 -0.244 8.851 -6.024 172 HA GLU 37 HA GLU 37 -1.052 5.993 -5.903 173 HB2 GLU 37 HB2 GLU 37 -1.758 8.254 -4.009 174 HB3 GLU 37 HB3 GLU 37 -2.007 6.530 -3.734 175 HG2 GLU 37 HG2 GLU 37 0.495 6.229 -3.966 176 HG3 GLU 37 HG3 GLU 37 0.638 7.987 -3.972 177 H ARG 38 H ARG 38 -3.589 6.058 -5.010 178 HA ARG 38 HA ARG 38 -5.104 6.732 -7.367 179 HB2 ARG 38 HB2 ARG 38 -5.944 5.915 -4.574 180 HB3 ARG 38 HB3 ARG 38 -7.084 6.148 -5.899 181 HG2 ARG 38 HG2 ARG 38 -5.804 4.463 -7.233 182 HG3 ARG 38 HG3 ARG 38 -4.778 4.177 -5.828 183 HD2 ARG 38 HD2 ARG 38 -6.913 3.659 -4.534 184 HD3 ARG 38 HD3 ARG 38 -7.750 3.661 -6.086 185 HE ARG 38 HE ARG 38 -5.854 1.615 -5.148 186 HH11 ARG 38 HH11 ARG 38 -4.740 1.635 -7.657 187 HH12 ARG 38 HH12 ARG 38 -5.877 0.884 -8.727 188 HH21 ARG 38 HH21 ARG 38 -8.561 1.258 -6.563 189 HH22 ARG 38 HH22 ARG 38 -8.040 0.671 -8.107 190 H GLU 39 H GLU 39 -4.577 8.330 -4.258 191 HA GLU 39 HA GLU 39 -6.040 10.692 -5.358 192 HB2 GLU 39 HB2 GLU 39 -6.106 9.682 -2.498 193 HB3 GLU 39 HB3 GLU 39 -6.849 11.177 -3.066 194 HG2 GLU 39 HG2 GLU 39 -8.271 9.884 -4.615 195 HG3 GLU 39 HG3 GLU 39 -7.527 8.388 -4.051 196 H THR 40 H THR 40 -3.435 9.464 -3.311 197 HA THR 40 HA THR 40 -2.371 12.246 -3.093 198 HB THR 40 HB THR 40 -0.748 10.792 -1.478 199 HG1 THR 40 HG1 THR 40 -2.238 9.353 -0.377 200 HG21 THR 40 HG21 THR 40 -2.238 11.527 0.376 201 HG22 THR 40 HG22 THR 40 -3.491 11.893 -0.808 202 HG23 THR 40 HG23 THR 40 -1.977 12.797 -0.819 203 H PHE 41 H PHE 41 0.198 12.138 -3.002 204 HA PHE 41 HA PHE 41 1.172 10.320 -5.161 205 HB2 PHE 41 HB2 PHE 41 1.813 13.277 -4.934 206 HB3 PHE 41 HB3 PHE 41 2.410 12.172 -6.172 207 HD1 PHE 41 HD1 PHE 41 0.762 11.082 -7.754 208 HD2 PHE 41 HD2 PHE 41 -0.335 14.285 -5.111 209 HE1 PHE 41 HE1 PHE 41 -1.265 11.512 -9.117 210 HE2 PHE 41 HE2 PHE 41 -2.362 14.714 -6.473 211 HZ PHE 41 HZ PHE 41 -2.826 13.328 -8.477 212 H GLN 42 H GLN 42 3.632 10.271 -5.179 213 HA GLN 42 HA GLN 42 4.650 10.531 -2.378 214 HB2 GLN 42 HB3 GLN 42 5.416 8.604 -4.593 215 HB3 GLN 42 HB2 GLN 42 6.301 8.753 -3.074 216 HG2 GLN 42 HG2 GLN 42 4.083 8.320 -1.891 217 HG3 GLN 42 HG3 GLN 42 3.431 7.875 -3.469 218 HE21 GLN 42 HE21 GLN 42 3.376 5.800 -1.746 219 HE22 GLN 42 HE22 GLN 42 4.624 4.694 -2.059 220 H VAL 43 H VAL 43 6.147 12.131 -2.154 221 HA VAL 43 HA VAL 43 7.669 12.928 -4.603 222 HB VAL 43 HB VAL 43 6.916 14.638 -2.214 223 HG11 VAL 43 HG11 VAL 43 7.990 15.547 -4.885 224 HG12 VAL 43 HG12 VAL 43 9.068 15.136 -3.551 225 HG13 VAL 43 HG13 VAL 43 7.908 16.452 -3.374 226 HG21 VAL 43 HG21 VAL 43 5.076 13.850 -3.872 227 HG22 VAL 43 HG22 VAL 43 5.870 14.920 -5.028 228 HG23 VAL 43 HG23 VAL 43 5.201 15.576 -3.533 229 H LEU 44 H LEU 44 9.878 12.912 -4.464 230 HA LEU 44 HA LEU 44 11.108 11.781 -2.061 231 HB2 LEU 44 HB2 LEU 44 11.826 11.273 -4.452 232 HB3 LEU 44 HB3 LEU 44 12.506 12.900 -4.506 233 HG LEU 44 HG LEU 44 13.765 12.257 -2.354 234 HD11 LEU 44 HD11 LEU 44 14.167 9.669 -2.408 235 HD12 LEU 44 HD12 LEU 44 12.606 9.623 -3.228 236 HD13 LEU 44 HD13 LEU 44 12.729 10.296 -1.602 237 HD21 LEU 44 HD21 LEU 44 15.284 12.357 -4.054 238 HD22 LEU 44 HD22 LEU 44 14.263 11.426 -5.150 239 HD23 LEU 44 HD23 LEU 44 15.243 10.596 -3.941 240 H ASN 45 H ASN 45 12.499 12.901 -0.637 241 HA ASN 45 HA ASN 45 12.293 15.869 -0.817 242 HB2 ASN 45 HB3 ASN 45 11.463 14.670 1.254 243 HB3 ASN 45 HB2 ASN 45 13.135 14.210 1.574 244 HD21 ASN 45 HD21 ASN 45 12.229 15.721 3.571 245 HD22 ASN 45 HD22 ASN 45 12.702 17.346 3.444 246 H MET 46 H MET 46 14.183 17.152 -0.462 247 HA MET 46 HA MET 46 16.490 16.599 -1.833 248 HB2 MET 46 HB2 MET 46 16.593 18.012 0.839 249 HB3 MET 46 HB3 MET 46 17.603 18.303 -0.577 250 HG2 MET 46 HG3 MET 46 15.489 18.967 -1.816 251 HG3 MET 46 HG2 MET 46 14.653 18.915 -0.263 252 HE1 MET 46 HE1 MET 46 16.354 21.524 1.898 253 HE2 MET 46 HE2 MET 46 16.996 19.891 1.747 254 HE3 MET 46 HE3 MET 46 15.253 20.147 1.758 255 H TYR 47 H TYR 47 15.639 15.351 1.324 256 HA TYR 47 HA TYR 47 18.337 14.261 1.774 257 HB2 TYR 47 HB2 TYR 47 15.799 13.752 3.350 258 HB3 TYR 47 HB3 TYR 47 17.457 13.476 3.885 259 HD1 TYR 47 HD1 TYR 47 15.029 16.126 2.878 260 HD2 TYR 47 HD2 TYR 47 18.772 15.237 4.794 261 HE1 TYR 47 HE1 TYR 47 15.165 18.461 3.698 262 HE2 TYR 47 HE2 TYR 47 18.905 17.574 5.615 263 HH TYR 47 HH TYR 47 16.356 19.630 5.726 264 H GLY 48 H GLY 48 16.574 13.390 -0.543 265 HA2 GLY 48 HA2 GLY 48 16.042 11.382 -1.630 266 HA3 GLY 48 HA3 GLY 48 17.265 10.645 -0.593 267 H LYS 49 H LYS 49 14.280 12.272 0.428 268 HA LYS 49 HA LYS 49 13.433 9.671 1.650 269 HB2 LYS 49 HB2 LYS 49 12.916 12.525 2.528 270 HB3 LYS 49 HB3 LYS 49 12.159 11.115 3.268 271 HG2 LYS 49 HG2 LYS 49 14.492 10.210 3.681 272 HG3 LYS 49 HG3 LYS 49 15.112 11.780 3.174 273 HD2 LYS 49 HD2 LYS 49 13.687 12.850 4.937 274 HD3 LYS 49 HD3 LYS 49 13.238 11.239 5.495 275 HE2 LYS 49 HE2 LYS 49 15.991 12.497 5.492 276 HE3 LYS 49 HE3 LYS 49 15.061 11.937 6.882 277 HZ1 LYS 49 HZ1 LYS 49 16.519 10.379 4.870 278 HZ2 LYS 49 HZ2 LYS 49 15.148 9.688 5.598 279 HZ3 LYS 49 HZ3 LYS 49 16.464 10.182 6.553 280 H VAL 50 H VAL 50 11.410 8.895 1.142 281 HA VAL 50 HA VAL 50 9.786 10.560 -0.732 282 HB VAL 50 HB VAL 50 9.699 7.558 -0.295 283 HG11 VAL 50 HG11 VAL 50 8.710 8.307 -2.825 284 HG12 VAL 50 HG12 VAL 50 7.998 9.448 -1.684 285 HG13 VAL 50 HG13 VAL 50 7.772 7.714 -1.453 286 HG21 VAL 50 HG21 VAL 50 10.922 9.125 -2.585 287 HG22 VAL 50 HG22 VAL 50 10.940 7.375 -2.374 288 HG23 VAL 50 HG23 VAL 50 11.854 8.404 -1.272 289 H VAL 51 H VAL 51 7.905 11.357 0.073 290 HA VAL 51 HA VAL 51 6.589 9.871 2.305 291 HB VAL 51 HB VAL 51 6.888 12.885 2.118 292 HG11 VAL 51 HG11 VAL 51 4.834 11.624 3.258 293 HG12 VAL 51 HG12 VAL 51 5.574 13.033 4.018 294 HG13 VAL 51 HG13 VAL 51 5.999 11.412 4.565 295 HG21 VAL 51 HG21 VAL 51 8.296 10.781 3.775 296 HG22 VAL 51 HG22 VAL 51 8.252 12.481 4.247 297 HG23 VAL 51 HG23 VAL 51 9.020 12.006 2.732 298 H THR 52 H THR 52 4.318 9.893 2.234 299 HA THR 52 HA THR 52 3.139 10.470 -0.366 300 HB THR 52 HB THR 52 1.764 9.711 2.231 301 HG1 THR 52 HG1 THR 52 1.942 7.606 1.403 302 HG21 THR 52 HG21 THR 52 0.907 10.066 -0.590 303 HG22 THR 52 HG22 THR 52 -0.018 10.249 0.901 304 HG23 THR 52 HG23 THR 52 0.283 8.641 0.240 305 H VAL 53 H VAL 53 2.182 12.361 -0.966 306 HA VAL 53 HA VAL 53 1.292 14.225 1.193 307 HB VAL 53 HB VAL 53 2.186 16.114 -0.089 308 HG11 VAL 53 HG11 VAL 53 4.701 15.183 -0.122 309 HG12 VAL 53 HG12 VAL 53 3.944 13.858 0.763 310 HG13 VAL 53 HG13 VAL 53 3.848 15.505 1.388 311 HG21 VAL 53 HG21 VAL 53 3.787 15.421 -2.026 312 HG22 VAL 53 HG22 VAL 53 2.052 15.459 -2.346 313 HG23 VAL 53 HG23 VAL 53 2.860 13.921 -2.042 314 H ARG 54 H ARG 54 -0.261 15.904 0.296 315 HA ARG 54 HA ARG 54 -2.023 14.594 -1.725 316 HB2 ARG 54 HB2 ARG 54 -2.606 16.724 0.355 317 HB3 ARG 54 HB3 ARG 54 -3.785 16.113 -0.806 318 HG2 ARG 54 HG2 ARG 54 -3.424 13.814 0.094 319 HG3 ARG 54 HG3 ARG 54 -2.334 14.488 1.306 320 HD2 ARG 54 HD2 ARG 54 -5.266 15.192 0.959 321 HD3 ARG 54 HD3 ARG 54 -4.585 14.205 2.252 322 HE ARG 54 HE ARG 54 -4.033 17.124 1.907 323 HH11 ARG 54 HH11 ARG 54 -5.850 16.543 4.082 324 HH12 ARG 54 HH12 ARG 54 -4.809 16.298 5.446 325 HH21 ARG 54 HH21 ARG 54 -1.965 15.809 3.524 326 HH22 ARG 54 HH22 ARG 54 -2.611 15.882 5.130 327 H HIS 55 H HIS 55 -3.003 15.969 -3.374 328 HA HIS 55 HA HIS 55 -1.192 17.680 -4.712 329 HB2 HIS 55 HB2 HIS 55 -3.217 16.603 -5.738 330 HB3 HIS 55 HB3 HIS 55 -4.218 17.784 -4.894 331 HD1 HIS 55 HD1 HIS 55 -1.199 17.827 -7.240 332 HD2 HIS 55 HD2 HIS 55 -4.611 20.066 -6.391 333 HE1 HIS 55 HE1 HIS 55 -1.239 19.733 -8.909 334 H GLN 56 H GLN 56 -3.392 18.322 -2.090 335 HA GLN 56 HA GLN 56 -3.370 21.223 -2.444 336 HB2 GLN 56 HB2 GLN 56 -4.203 19.472 -0.110 337 HB3 GLN 56 HB3 GLN 56 -4.420 21.221 -0.167 338 HG2 GLN 56 HG2 GLN 56 -5.824 21.003 -2.168 339 HG3 GLN 56 HG3 GLN 56 -5.568 19.258 -2.177 340 HE21 GLN 56 HE21 GLN 56 -8.200 20.398 -1.935 341 HE22 GLN 56 HE22 GLN 56 -8.794 20.029 -0.389 342 H ALA 57 H ALA 57 -1.173 18.933 -1.235 343 HA ALA 57 HA ALA 57 0.209 21.045 0.372 344 HB1 ALA 57 HB1 ALA 57 0.793 19.473 1.911 345 HB2 ALA 57 HB2 ALA 57 1.105 18.248 0.681 346 HB3 ALA 57 HB3 ALA 57 -0.545 18.554 1.222 347 H VAL 58 H VAL 58 0.307 20.437 -2.606 348 HA VAL 58 HA VAL 58 3.272 20.082 -2.749 349 HB VAL 58 HB VAL 58 3.062 18.799 -4.761 350 HG11 VAL 58 HG21 VAL 58 2.564 16.952 -3.576 351 HG12 VAL 58 HG22 VAL 58 0.851 17.367 -3.602 352 HG13 VAL 58 HG23 VAL 58 1.886 17.978 -2.312 353 HG21 VAL 58 HG11 VAL 58 0.119 19.511 -4.612 354 HG22 VAL 58 HG12 VAL 58 0.795 18.337 -5.741 355 HG23 VAL 58 HG13 VAL 58 1.271 20.032 -5.841 356 H THR 59 H THR 59 4.111 21.017 -4.908 357 HA THR 59 HA THR 59 2.515 23.440 -5.637 358 HB THR 59 HB THR 59 4.524 24.757 -5.694 359 HG1 THR 59 HG1 THR 59 6.276 23.755 -6.208 360 HG21 THR 59 HG21 THR 59 3.474 23.917 -3.403 361 HG22 THR 59 HG22 THR 59 4.943 24.892 -3.423 362 HG23 THR 59 HG23 THR 59 5.050 23.142 -3.232 363 H ARG 60 H ARG 60 3.110 24.300 -7.823 364 HA ARG 60 HA ARG 60 3.896 22.053 -9.635 365 HB2 ARG 60 HB2 ARG 60 2.106 24.446 -10.164 366 HB3 ARG 60 HB3 ARG 60 2.545 23.228 -11.362 367 HG2 ARG 60 HG2 ARG 60 1.545 21.477 -9.883 368 HG3 ARG 60 HG3 ARG 60 1.016 22.753 -8.786 369 HD2 ARG 60 HD2 ARG 60 -0.220 23.794 -10.726 370 HD3 ARG 60 HD3 ARG 60 0.175 22.359 -11.672 371 HE ARG 60 HE ARG 60 -1.458 22.243 -9.166 372 HH11 ARG 60 HH11 ARG 60 -0.177 19.900 -10.877 373 HH12 ARG 60 HH12 ARG 60 -1.616 19.305 -11.636 374 HH21 ARG 60 HH21 ARG 60 -3.528 22.069 -10.782 375 HH22 ARG 60 HH22 ARG 60 -3.513 20.533 -11.583 376 H LYS 61 H LYS 61 5.507 22.440 -11.153 377 HA LYS 61 HA LYS 61 6.591 25.210 -11.336 378 HB2 LYS 61 HB2 LYS 61 7.946 23.949 -9.676 379 HB3 LYS 61 HB3 LYS 61 8.271 22.721 -10.900 380 HG2 LYS 61 HG2 LYS 61 9.294 24.486 -12.341 381 HG3 LYS 61 HG3 LYS 61 9.052 25.649 -11.037 382 HD2 LYS 61 HD2 LYS 61 10.419 24.160 -9.544 383 HD3 LYS 61 HD3 LYS 61 10.763 23.148 -10.946 384 HE2 LYS 61 HE2 LYS 61 12.461 24.528 -11.476 385 HE3 LYS 61 HE3 LYS 61 11.289 25.821 -11.731 386 HZ1 LYS 61 HZ1 LYS 61 11.434 25.835 -9.089 387 HZ2 LYS 61 HZ2 LYS 61 12.455 26.771 -10.073 388 HZ3 LYS 61 HZ3 LYS 61 13.002 25.293 -9.441 389 H LYS 62 H LYS 62 6.988 25.764 -13.434 390 HA LYS 62 HA LYS 62 6.509 23.786 -15.534 391 HB2 LYS 62 HB2 LYS 62 5.799 26.221 -15.643 392 HB3 LYS 62 HB3 LYS 62 7.501 26.628 -15.862 393 HG2 LYS 62 HG2 LYS 62 7.578 25.153 -17.857 394 HG3 LYS 62 HG3 LYS 62 5.862 24.802 -17.648 395 HD2 LYS 62 HD2 LYS 62 5.410 27.272 -17.829 396 HD3 LYS 62 HD3 LYS 62 7.112 27.502 -18.229 397 HE2 LYS 62 HE2 LYS 62 6.274 27.281 -20.366 398 HE3 LYS 62 HE3 LYS 62 6.546 25.576 -20.006 399 HZ1 LYS 62 HZ1 LYS 62 4.303 25.253 -19.505 400 HZ2 LYS 62 HZ2 LYS 62 4.281 26.222 -20.901 401 HZ3 LYS 62 HZ3 LYS 62 3.985 26.914 -19.377 402 H ASP 63 H ASP 63 8.058 22.733 -16.723 403 HA ASP 63 HA ASP 63 10.838 22.922 -15.836 404 HB2 ASP 63 HB2 ASP 63 9.744 20.759 -16.491 405 HB3 ASP 63 HB3 ASP 63 9.682 21.343 -18.154 406 H ASN 64 H ASN 64 12.129 24.523 -16.603 407 HA ASN 64 HA ASN 64 11.661 25.480 -19.397 408 HB2 ASN 64 HB2 ASN 64 11.441 27.133 -17.467 409 HB3 ASN 64 HB3 ASN 64 13.177 26.937 -17.220 410 HD21 ASN 64 HD21 ASN 64 12.970 29.410 -17.834 411 HD22 ASN 64 HD22 ASN 64 13.111 29.776 -19.486 412 H ARG 65 H ARG 65 13.154 24.735 -20.814 413 HA ARG 65 HA ARG 65 15.490 23.300 -20.122 414 HB2 ARG 65 HB2 ARG 65 14.920 24.894 -22.640 415 HB3 ARG 65 HB3 ARG 65 16.197 23.690 -22.472 416 HG2 ARG 65 HG2 ARG 65 14.459 21.988 -21.902 417 HG3 ARG 65 HG3 ARG 65 13.215 23.201 -22.203 418 HD2 ARG 65 HD2 ARG 65 13.439 21.922 -24.228 419 HD3 ARG 65 HD3 ARG 65 14.203 23.482 -24.525 420 HE ARG 65 HE ARG 65 15.930 21.232 -23.643 421 HH11 ARG 65 HH11 ARG 65 17.822 22.814 -24.514 422 HH12 ARG 65 HH12 ARG 65 17.844 22.815 -26.246 423 HH21 ARG 65 HH21 ARG 65 14.652 21.495 -26.550 424 HH22 ARG 65 HH22 ARG 65 16.048 22.069 -27.398 425 H PHE 66 H PHE 66 14.959 26.757 -20.514 426 HA PHE 66 HA PHE 66 17.642 27.633 -20.730 427 HB2 PHE 66 HB2 PHE 66 15.614 29.095 -20.926 428 HB3 PHE 66 HB3 PHE 66 15.423 28.996 -19.175 429 HD1 PHE 66 HD1 PHE 66 17.591 30.217 -21.917 430 HD2 PHE 66 HD2 PHE 66 16.900 30.184 -17.678 431 HE1 PHE 66 HE1 PHE 66 19.241 32.047 -21.635 432 HE2 PHE 66 HE2 PHE 66 18.550 32.014 -17.395 433 HZ PHE 66 HZ PHE 66 19.721 32.946 -19.374 434 H ALA 67 H ALA 67 15.777 26.619 -17.902 435 HA ALA 67 HA ALA 67 17.462 27.516 -15.838 436 HB1 ALA 67 HB1 ALA 67 15.301 25.707 -16.083 437 HB2 ALA 67 HB2 ALA 67 16.010 26.330 -14.592 438 HB3 ALA 67 HB3 ALA 67 16.599 24.819 -15.284 439 H VAL 68 H VAL 68 19.658 27.387 -16.551 440 HA VAL 68 HA VAL 68 20.747 24.599 -16.624 441 HB VAL 68 HB VAL 68 21.943 27.041 -17.965 442 HG11 VAL 68 HG11 VAL 68 22.501 24.125 -18.516 443 HG12 VAL 68 HG12 VAL 68 23.377 25.007 -17.265 444 HG13 VAL 68 HG13 VAL 68 23.479 25.527 -18.947 445 HG21 VAL 68 HG21 VAL 68 19.624 25.798 -18.744 446 HG22 VAL 68 HG22 VAL 68 20.837 24.872 -19.629 447 HG23 VAL 68 HG23 VAL 68 20.731 26.620 -19.843 448 H ALA 69 H ALA 69 22.449 24.171 -15.239 449 HA ALA 69 HA ALA 69 23.450 26.473 -13.608 450 HB1 ALA 69 HB1 ALA 69 23.838 24.429 -11.920 451 HB2 ALA 69 HB2 ALA 69 22.475 23.764 -12.821 452 HB3 ALA 69 HB3 ALA 69 22.308 25.305 -11.980 453 H LEU 70 H LEU 70 25.685 26.458 -13.126 454 HA LEU 70 HA LEU 70 27.288 24.688 -14.891 455 HB2 LEU 70 HB2 LEU 70 28.097 27.137 -13.293 456 HB3 LEU 70 HB3 LEU 70 29.128 26.265 -14.429 457 HG LEU 70 HG LEU 70 26.570 26.955 -15.633 458 HD11 LEU 70 HD21 LEU 70 26.307 29.038 -14.798 459 HD12 LEU 70 HD22 LEU 70 27.786 29.472 -15.656 460 HD13 LEU 70 HD23 LEU 70 27.861 28.970 -13.966 461 HD21 LEU 70 HD11 LEU 70 28.409 26.329 -17.016 462 HD22 LEU 70 HD12 LEU 70 29.494 27.464 -16.211 463 HD23 LEU 70 HD13 LEU 70 28.211 28.064 -17.262 464 H ASP 71 H ASP 71 28.797 23.239 -14.064 465 HA ASP 71 HA ASP 71 28.447 22.418 -11.294 466 HB2 ASP 71 HB3 ASP 71 29.022 20.949 -13.370 467 HB3 ASP 71 HB2 ASP 71 30.681 21.468 -13.078 468 H SER 72 H SER 72 29.917 22.675 -9.593 469 HA SER 72 HA SER 72 31.390 25.004 -9.315 470 HB2 SER 72 HB2 SER 72 32.108 22.315 -8.110 471 HB3 SER 72 HB3 SER 72 32.617 23.890 -7.501 472 HG SER 72 HG SER 72 30.835 23.819 -6.414 473 H GLU 73 H GLU 73 32.302 22.139 -11.083 474 HA GLU 73 HA GLU 73 35.127 22.949 -11.261 475 HB2 GLU 73 HB2 GLU 73 34.260 20.526 -11.243 476 HB3 GLU 73 HB3 GLU 73 33.761 20.816 -12.909 477 HG2 GLU 73 HG2 GLU 73 35.963 19.854 -13.006 478 HG3 GLU 73 HG3 GLU 73 36.144 21.570 -13.370 479 H GLN 74 H GLN 74 32.829 24.638 -12.368 480 HA GLN 74 HA GLN 74 32.515 26.012 -14.239 481 HB2 GLN 74 HB2 GLN 74 35.247 24.929 -14.995 482 HB3 GLN 74 HB3 GLN 74 34.458 26.322 -15.735 483 HG2 GLN 74 HG2 GLN 74 34.425 27.466 -13.547 484 HG3 GLN 74 HG3 GLN 74 35.211 26.072 -12.805 485 HE21 GLN 74 HE21 GLN 74 36.497 28.591 -12.713 486 HE22 GLN 74 HE22 GLN 74 37.876 28.538 -13.702 487 H ASN 75 H ASN 75 31.329 23.459 -14.301 488 HA ASN 75 HA ASN 75 31.688 22.673 -17.168 489 HB2 ASN 75 HB2 ASN 75 30.538 21.031 -14.892 490 HB3 ASN 75 HB3 ASN 75 30.796 20.478 -16.546 491 HD21 ASN 75 HD21 ASN 75 32.097 19.063 -14.527 492 HD22 ASN 75 HD22 ASN 75 33.763 19.382 -14.592 493 H ASN 76 H ASN 76 29.816 22.478 -18.456 494 HA ASN 76 HA ASN 76 27.532 24.079 -17.550 495 HB2 ASN 76 HB2 ASN 76 28.518 24.111 -19.909 496 HB3 ASN 76 HB3 ASN 76 27.762 22.533 -20.141 497 HD21 ASN 76 HD21 ASN 76 26.761 24.387 -21.830 498 HD22 ASN 76 HD22 ASN 76 25.260 24.989 -21.314 499 H ILE 77 H ILE 77 25.862 23.174 -16.457 500 HA ILE 77 HA ILE 77 25.318 20.265 -16.900 501 HB ILE 77 HB ILE 77 24.682 21.942 -14.454 502 HG12 ILE 77 HG12 ILE 77 26.821 19.828 -14.844 503 HG13 ILE 77 HG13 ILE 77 27.130 21.564 -14.834 504 HG21 ILE 77 HG21 ILE 77 23.865 19.978 -13.472 505 HG22 ILE 77 HG22 ILE 77 24.718 18.939 -14.614 506 HG23 ILE 77 HG23 ILE 77 23.288 19.830 -15.133 507 HD11 ILE 77 HD11 ILE 77 26.960 19.824 -12.597 508 HD12 ILE 77 HD12 ILE 77 25.545 20.874 -12.533 509 HD13 ILE 77 HD13 ILE 77 27.163 21.576 -12.583 510 H HIS 78 H HIS 78 23.261 19.702 -17.538 511 HA HIS 78 HA HIS 78 21.252 21.915 -17.685 512 HB2 HIS 78 HB3 HIS 78 21.653 19.585 -19.586 513 HB3 HIS 78 HB2 HIS 78 20.365 20.783 -19.708 514 HD1 HIS 78 HD1 HIS 78 24.093 20.390 -20.086 515 HD2 HIS 78 HD2 HIS 78 21.182 23.314 -20.691 516 HE1 HIS 78 HE1 HIS 78 25.214 22.261 -21.372 517 H VAL 79 H VAL 79 19.049 21.308 -17.280 518 HA VAL 79 HA VAL 79 18.616 19.470 -15.186 519 HB VAL 79 HB VAL 79 16.688 20.533 -17.269 520 HG11 VAL 79 HG11 VAL 79 16.249 18.894 -14.768 521 HG12 VAL 79 HG12 VAL 79 15.641 18.583 -16.394 522 HG13 VAL 79 HG13 VAL 79 14.982 19.916 -15.447 523 HG21 VAL 79 HG21 VAL 79 16.537 22.377 -15.964 524 HG22 VAL 79 HG22 VAL 79 18.029 21.817 -15.208 525 HG23 VAL 79 HG23 VAL 79 16.469 21.419 -14.485 526 H LYS 80 H LYS 80 18.651 18.968 -18.662 527 HA LYS 80 HA LYS 80 17.960 16.096 -18.188 528 HB2 LYS 80 HB2 LYS 80 16.427 17.358 -19.719 529 HB3 LYS 80 HB3 LYS 80 17.800 17.649 -20.787 530 HG2 LYS 80 HG2 LYS 80 18.113 15.244 -21.096 531 HG3 LYS 80 HG3 LYS 80 16.818 14.904 -19.948 532 HD2 LYS 80 HD2 LYS 80 15.861 14.716 -22.147 533 HD3 LYS 80 HD3 LYS 80 15.273 16.233 -21.464 534 HE2 LYS 80 HE2 LYS 80 16.551 17.527 -22.886 535 HE3 LYS 80 HE3 LYS 80 17.824 16.313 -23.016 536 HZ1 LYS 80 HZ1 LYS 80 16.069 14.948 -24.240 537 HZ2 LYS 80 HZ2 LYS 80 16.774 16.253 -25.069 538 HZ3 LYS 80 HZ3 LYS 80 15.219 16.407 -24.401 539 H ASP 81 H ASP 81 20.101 15.418 -17.711 540 HA ASP 81 HA ASP 81 21.777 14.952 -20.047 541 HB2 ASP 81 HB2 ASP 81 22.249 17.372 -19.040 542 HB3 ASP 81 HB3 ASP 81 23.206 16.446 -17.884 543 H ILE 82 H ILE 82 24.131 14.221 -18.857 544 HA ILE 82 HA ILE 82 23.251 12.213 -16.820 545 HB ILE 82 HB ILE 82 23.884 11.236 -19.031 546 HG12 ILE 82 HG13 ILE 82 25.929 10.610 -16.887 547 HG13 ILE 82 HG12 ILE 82 24.256 10.059 -16.819 548 HG21 ILE 82 HG21 ILE 82 25.577 13.034 -19.547 549 HG22 ILE 82 HG22 ILE 82 26.168 11.393 -19.812 550 HG23 ILE 82 HG23 ILE 82 26.651 12.281 -18.367 551 HD11 ILE 82 HD11 ILE 82 24.508 8.654 -18.676 552 HD12 ILE 82 HD12 ILE 82 26.073 8.493 -17.878 553 HD13 ILE 82 HD13 ILE 82 25.903 9.546 -19.283 554 H VAL 83 H VAL 83 24.415 12.154 -14.927 555 HA VAL 83 HA VAL 83 26.975 13.686 -14.826 556 HB VAL 83 HB VAL 83 25.024 15.019 -13.910 557 HG11 VAL 83 HG11 VAL 83 25.121 13.101 -11.585 558 HG12 VAL 83 HG12 VAL 83 24.005 12.839 -12.924 559 HG13 VAL 83 HG13 VAL 83 23.896 14.313 -11.963 560 HG21 VAL 83 HG21 VAL 83 27.292 15.517 -13.185 561 HG22 VAL 83 HG22 VAL 83 27.253 14.186 -12.028 562 HG23 VAL 83 HG23 VAL 83 26.224 15.599 -11.784 563 H LYS 84 H LYS 84 28.502 12.845 -13.339 564 HA LYS 84 HA LYS 84 27.874 10.088 -12.406 565 HB2 LYS 84 HB2 LYS 84 30.536 11.505 -12.745 566 HB3 LYS 84 HB3 LYS 84 30.334 9.829 -12.231 567 HG2 LYS 84 HG2 LYS 84 29.143 9.355 -14.371 568 HG3 LYS 84 HG3 LYS 84 29.458 11.013 -14.884 569 HD2 LYS 84 HD2 LYS 84 31.906 10.584 -14.612 570 HD3 LYS 84 HD3 LYS 84 31.537 8.902 -14.232 571 HE2 LYS 84 HE2 LYS 84 30.115 9.437 -16.591 572 HE3 LYS 84 HE3 LYS 84 31.686 10.204 -16.824 573 HZ1 LYS 84 HZ1 LYS 84 31.301 7.406 -15.912 574 HZ2 LYS 84 HZ2 LYS 84 32.776 8.157 -16.294 575 HZ3 LYS 84 HZ3 LYS 84 31.633 7.854 -17.514 576 H VAL 85 H VAL 85 28.617 9.458 -10.241 577 HA VAL 85 HA VAL 85 28.606 11.779 -8.352 578 HB VAL 85 HB VAL 85 27.855 8.936 -7.656 579 HG11 VAL 85 HG21 VAL 85 27.677 11.640 -6.385 580 HG12 VAL 85 HG22 VAL 85 28.099 10.089 -5.661 581 HG13 VAL 85 HG23 VAL 85 26.415 10.464 -6.023 582 HG21 VAL 85 HG11 VAL 85 26.117 9.225 -9.100 583 HG22 VAL 85 HG12 VAL 85 26.355 10.970 -9.188 584 HG23 VAL 85 HG13 VAL 85 25.475 10.268 -7.831 585 H ILE 86 H ILE 86 30.534 12.104 -7.359 586 HA ILE 86 HA ILE 86 32.224 9.723 -6.745 587 HB ILE 86 HB ILE 86 33.290 12.336 -7.849 588 HG12 ILE 86 HG13 ILE 86 32.011 11.066 -9.550 589 HG13 ILE 86 HG12 ILE 86 33.739 11.065 -9.906 590 HG21 ILE 86 HG21 ILE 86 35.272 10.577 -8.189 591 HG22 ILE 86 HG22 ILE 86 34.481 9.794 -6.822 592 HG23 ILE 86 HG23 ILE 86 35.070 11.450 -6.669 593 HD11 ILE 86 HD11 ILE 86 33.214 8.848 -8.191 594 HD12 ILE 86 HD12 ILE 86 33.733 8.815 -9.876 595 HD13 ILE 86 HD13 ILE 86 32.013 8.816 -9.482 596 H ASP 87 H ASP 87 30.429 11.808 -5.292 597 HA ASP 87 HA ASP 87 32.467 12.484 -3.209 598 HB2 ASP 87 HB2 ASP 87 30.112 14.132 -4.167 599 HB3 ASP 87 HB3 ASP 87 31.008 14.484 -2.689 600 H GLY 88 H GLY 88 31.609 12.495 -1.005 601 HA2 GLY 88 HA2 GLY 88 30.335 11.570 0.733 602 HA3 GLY 88 HA3 GLY 88 28.942 11.750 -0.332 603 HA PRO 89 HA PRO 89 29.707 7.176 0.300 604 HB2 PRO 89 HB2 PRO 89 27.108 6.561 0.720 605 HB3 PRO 89 HB3 PRO 89 28.193 7.078 2.014 606 HG2 PRO 89 HG2 PRO 89 26.168 8.671 0.486 607 HG3 PRO 89 HG3 PRO 89 26.506 8.673 2.220 608 HD2 PRO 89 HD3 PRO 89 27.445 10.600 0.575 609 HD3 PRO 89 HD2 PRO 89 28.345 10.057 1.992 610 H HIS 90 H HIS 90 27.876 9.161 -1.827 611 HA HIS 90 HA HIS 90 26.982 6.913 -3.515 612 HB2 HIS 90 HB3 HIS 90 26.820 9.919 -3.910 613 HB3 HIS 90 HB2 HIS 90 26.103 8.723 -4.988 614 HD1 HIS 90 HD1 HIS 90 25.695 10.300 -1.618 615 HD2 HIS 90 HD2 HIS 90 23.822 7.365 -3.911 616 HE1 HIS 90 HE1 HIS 90 23.490 9.800 -0.479 617 H SER 91 H SER 91 29.690 8.977 -3.159 618 HA SER 91 HA SER 91 30.747 9.364 -5.673 619 HB2 SER 91 HB3 SER 91 31.894 9.981 -3.570 620 HB3 SER 91 HB2 SER 91 32.256 8.281 -3.277 621 HG SER 91 HG SER 91 33.571 8.246 -5.034 622 H GLY 92 H GLY 92 31.409 8.066 -7.336 623 HA2 GLY 92 HA2 GLY 92 32.462 6.057 -8.216 624 HA3 GLY 92 HA3 GLY 92 31.948 5.195 -6.767 625 H ARG 93 H ARG 93 29.380 7.079 -7.651 626 HA ARG 93 HA ARG 93 28.218 4.869 -9.305 627 HB2 ARG 93 HB3 ARG 93 26.829 6.707 -7.329 628 HB3 ARG 93 HB2 ARG 93 26.032 5.477 -8.311 629 HG2 ARG 93 HG2 ARG 93 27.445 3.737 -7.251 630 HG3 ARG 93 HG3 ARG 93 28.197 4.975 -6.245 631 HD2 ARG 93 HD2 ARG 93 25.879 5.556 -5.403 632 HD3 ARG 93 HD3 ARG 93 25.289 4.124 -6.247 633 HE ARG 93 HE ARG 93 26.629 4.107 -3.716 634 HH11 ARG 93 HH11 ARG 93 28.839 2.747 -4.694 635 HH12 ARG 93 HH12 ARG 93 28.330 1.116 -4.976 636 HH21 ARG 93 HH21 ARG 93 24.949 1.889 -4.967 637 HH22 ARG 93 HH22 ARG 93 26.128 0.630 -5.131 638 H GLU 94 H GLU 94 26.716 5.529 -10.971 639 HA GLU 94 HA GLU 94 27.031 8.396 -11.771 640 HB2 GLU 94 HB3 GLU 94 26.727 5.962 -13.558 641 HB3 GLU 94 HB2 GLU 94 26.876 7.630 -14.111 642 HG2 GLU 94 HG2 GLU 94 29.095 7.777 -13.007 643 HG3 GLU 94 HG3 GLU 94 28.948 6.090 -12.517 644 H GLY 95 H GLY 95 25.158 9.400 -12.698 645 HA2 GLY 95 HA2 GLY 95 22.640 7.843 -12.705 646 HA3 GLY 95 HA3 GLY 95 22.724 9.214 -11.599 647 H GLU 96 H GLU 96 20.789 9.521 -13.358 648 HA GLU 96 HA GLU 96 21.916 11.140 -15.605 649 HB2 GLU 96 HB3 GLU 96 19.165 9.897 -15.304 650 HB3 GLU 96 HB2 GLU 96 19.717 10.833 -16.693 651 HG2 GLU 96 HG2 GLU 96 20.993 8.264 -15.705 652 HG3 GLU 96 HG3 GLU 96 19.910 8.387 -17.091 653 H ILE 97 H ILE 97 21.191 13.279 -15.859 654 HA ILE 97 HA ILE 97 20.065 14.504 -13.433 655 HB ILE 97 HB ILE 97 21.000 15.700 -16.059 656 HG12 ILE 97 HG13 ILE 97 22.262 15.809 -13.306 657 HG13 ILE 97 HG12 ILE 97 22.718 14.630 -14.536 658 HG21 ILE 97 HG21 ILE 97 19.443 16.809 -13.873 659 HG22 ILE 97 HG22 ILE 97 19.890 17.551 -15.410 660 HG23 ILE 97 HG23 ILE 97 20.988 17.642 -14.033 661 HD11 ILE 97 HD11 ILE 97 24.054 16.152 -15.516 662 HD12 ILE 97 HD12 ILE 97 23.628 17.319 -14.264 663 HD13 ILE 97 HD13 ILE 97 22.675 17.227 -15.745 664 H ARG 98 H ARG 98 17.876 14.362 -13.228 665 HA ARG 98 HA ARG 98 16.196 14.604 -15.675 666 HB2 ARG 98 HB3 ARG 98 15.802 12.663 -14.153 667 HB3 ARG 98 HB2 ARG 98 15.398 13.794 -12.862 668 HG2 ARG 98 HG2 ARG 98 13.320 13.098 -13.859 669 HG3 ARG 98 HG3 ARG 98 13.620 14.750 -14.398 670 HD2 ARG 98 HD2 ARG 98 14.640 13.824 -16.491 671 HD3 ARG 98 HD3 ARG 98 14.170 12.210 -15.960 672 HE ARG 98 HE ARG 98 11.769 13.276 -15.922 673 HH11 ARG 98 HH11 ARG 98 10.614 14.738 -17.331 674 HH12 ARG 98 HH12 ARG 98 11.219 14.928 -18.942 675 HH21 ARG 98 HH21 ARG 98 14.172 13.222 -18.322 676 HH22 ARG 98 HH22 ARG 98 13.233 14.071 -19.504 677 H HIS 99 H HIS 99 16.013 15.726 -12.270 678 HA HIS 99 HA HIS 99 14.862 18.278 -13.330 679 HB2 HIS 99 HB2 HIS 99 14.509 17.469 -10.470 680 HB3 HIS 99 HB3 HIS 99 13.429 18.395 -11.512 681 HD1 HIS 99 HD1 HIS 99 12.047 17.003 -13.312 682 HD2 HIS 99 HD2 HIS 99 14.049 14.704 -10.468 683 HE1 HIS 99 HE1 HIS 99 11.053 14.678 -13.441 684 H LEU 100 H LEU 100 15.733 20.223 -12.544 685 HA LEU 100 HA LEU 100 18.076 19.959 -10.706 686 HB2 LEU 100 HB2 LEU 100 18.665 20.319 -13.181 687 HB3 LEU 100 HB3 LEU 100 17.964 21.928 -12.999 688 HG LEU 100 HG LEU 100 19.953 21.029 -10.956 689 HD11 LEU 100 HD11 LEU 100 21.001 22.347 -13.421 690 HD12 LEU 100 HD12 LEU 100 20.690 20.612 -13.498 691 HD13 LEU 100 HD13 LEU 100 21.815 21.254 -12.301 692 HD21 LEU 100 HD21 LEU 100 20.331 23.665 -12.011 693 HD22 LEU 100 HD22 LEU 100 19.757 23.202 -10.409 694 HD23 LEU 100 HD23 LEU 100 18.608 23.423 -11.729 695 H PHE 101 H PHE 101 17.961 21.339 -8.987 696 HA PHE 101 HA PHE 101 16.242 23.765 -9.250 697 HB2 PHE 101 HB2 PHE 101 14.995 21.947 -8.064 698 HB3 PHE 101 HB3 PHE 101 16.273 21.908 -6.850 699 HD1 PHE 101 HD1 PHE 101 16.532 23.694 -5.229 700 HD2 PHE 101 HD2 PHE 101 13.527 23.916 -8.291 701 HE1 PHE 101 HE1 PHE 101 15.459 25.587 -4.040 702 HE2 PHE 101 HE2 PHE 101 12.456 25.810 -7.102 703 HZ PHE 101 HZ PHE 101 13.421 26.645 -4.976 704 H ARG 102 H ARG 102 17.566 25.475 -8.874 705 HA ARG 102 HA ARG 102 19.400 26.705 -8.055 706 HB2 ARG 102 HB3 ARG 102 18.724 25.177 -5.522 707 HB3 ARG 102 HB2 ARG 102 19.559 26.727 -5.626 708 HG2 ARG 102 HG2 ARG 102 17.500 27.651 -6.772 709 HG3 ARG 102 HG3 ARG 102 16.684 26.139 -6.375 710 HD2 ARG 102 HD3 ARG 102 17.144 26.522 -3.978 711 HD3 ARG 102 HD2 ARG 102 17.951 28.039 -4.377 712 HE ARG 102 HE ARG 102 15.201 27.868 -5.367 713 HH11 ARG 102 HH11 ARG 102 16.040 30.510 -4.834 714 HH12 ARG 102 HH12 ARG 102 15.514 30.846 -3.218 715 HH21 ARG 102 HH21 ARG 102 15.068 27.510 -2.386 716 HH22 ARG 102 HH22 ARG 102 14.963 29.148 -1.832 717 H SER 103 H SER 103 21.027 25.546 -5.721 718 HA SER 103 HA SER 103 23.051 24.286 -7.365 719 HB2 SER 103 HB2 SER 103 24.387 24.254 -5.405 720 HB3 SER 103 HB3 SER 103 23.393 25.701 -5.237 721 HG SER 103 HG SER 103 23.559 24.094 -3.408 722 H PHE 104 H PHE 104 20.208 23.073 -6.142 723 HA PHE 104 HA PHE 104 21.364 20.351 -5.732 724 HB2 PHE 104 HB2 PHE 104 18.635 21.442 -4.980 725 HB3 PHE 104 HB3 PHE 104 19.210 19.809 -4.646 726 HD1 PHE 104 HD1 PHE 104 19.330 23.310 -3.647 727 HD2 PHE 104 HD2 PHE 104 21.149 19.457 -3.100 728 HE1 PHE 104 HE1 PHE 104 20.417 24.118 -1.570 729 HE2 PHE 104 HE2 PHE 104 22.236 20.265 -1.024 730 HZ PHE 104 HZ PHE 104 21.871 22.595 -0.258 731 H ALA 105 H ALA 105 20.231 18.548 -6.777 732 HA ALA 105 HA ALA 105 18.329 19.214 -8.928 733 HB1 ALA 105 HB1 ALA 105 20.373 17.575 -10.112 734 HB2 ALA 105 HB2 ALA 105 21.115 19.037 -9.462 735 HB3 ALA 105 HB3 ALA 105 19.800 19.160 -10.631 736 H PHE 106 H PHE 106 17.162 17.369 -9.628 737 HA PHE 106 HA PHE 106 17.474 15.009 -7.850 738 HB2 PHE 106 HB2 PHE 106 15.234 15.955 -9.654 739 HB3 PHE 106 HB3 PHE 106 15.219 14.380 -8.863 740 HD1 PHE 106 HD1 PHE 106 14.273 14.210 -6.735 741 HD2 PHE 106 HD2 PHE 106 15.802 18.000 -8.057 742 HE1 PHE 106 HE1 PHE 106 13.457 15.267 -4.645 743 HE2 PHE 106 HE2 PHE 106 14.985 19.058 -5.968 744 HZ PHE 106 HZ PHE 106 13.813 17.693 -4.263 745 H LEU 107 H LEU 107 18.280 13.116 -8.634 746 HA LEU 107 HA LEU 107 18.803 12.961 -11.564 747 HB2 LEU 107 HB3 LEU 107 19.996 11.416 -9.244 748 HB3 LEU 107 HB2 LEU 107 20.438 11.192 -10.936 749 HG LEU 107 HG LEU 107 22.072 12.682 -10.007 750 HD11 LEU 107 HD21 LEU 107 21.746 14.685 -11.335 751 HD12 LEU 107 HD22 LEU 107 20.002 14.423 -11.376 752 HD13 LEU 107 HD23 LEU 107 21.080 13.319 -12.230 753 HD21 LEU 107 HD11 LEU 107 20.156 14.772 -9.164 754 HD22 LEU 107 HD12 LEU 107 21.645 14.232 -8.389 755 HD23 LEU 107 HD13 LEU 107 20.155 13.315 -8.170 756 H HIS 108 H HIS 108 18.622 10.686 -12.489 757 HA HIS 108 HA HIS 108 16.393 9.175 -11.193 758 HB2 HIS 108 HB2 HIS 108 15.442 10.447 -13.046 759 HB3 HIS 108 HB3 HIS 108 16.698 9.855 -14.133 760 HD1 HIS 108 HD1 HIS 108 15.169 8.500 -15.681 761 HD2 HIS 108 HD2 HIS 108 14.773 7.436 -11.670 762 HE1 HIS 108 HE1 HIS 108 13.780 6.383 -15.636 763 H CYS 109 H CYS 109 16.697 6.966 -11.164 764 HA CYS 109 HA CYS 109 18.955 5.880 -12.794 765 HB2 CYS 109 HB2 CYS 109 18.585 5.881 -9.875 766 HB3 CYS 109 HB3 CYS 109 18.933 4.289 -10.547 767 HG CYS 109 HG CYS 109 20.811 6.499 -11.561 768 H LYS 110 H LYS 110 18.057 4.448 -14.190 769 HA LYS 110 HA LYS 110 15.461 3.272 -13.820 770 HB2 LYS 110 HB2 LYS 110 16.522 3.598 -16.046 771 HB3 LYS 110 HB3 LYS 110 17.713 2.363 -15.639 772 HG2 LYS 110 HG2 LYS 110 15.858 0.729 -15.319 773 HG3 LYS 110 HG3 LYS 110 14.712 1.968 -15.832 774 HD2 LYS 110 HD2 LYS 110 15.984 2.158 -17.990 775 HD3 LYS 110 HD3 LYS 110 16.970 0.788 -17.477 776 HE2 LYS 110 HE2 LYS 110 15.352 -0.689 -18.028 777 HE3 LYS 110 HE3 LYS 110 14.119 0.245 -17.180 778 HZ1 LYS 110 HZ1 LYS 110 13.582 0.198 -19.488 779 HZ2 LYS 110 HZ2 LYS 110 15.141 0.712 -19.927 780 HZ3 LYS 110 HZ3 LYS 110 14.093 1.770 -19.109 781 H LYS 111 H LYS 111 18.711 2.254 -12.969 782 HA LYS 111 HA LYS 111 18.282 -0.511 -12.568 783 HB2 LYS 111 HB2 LYS 111 20.490 0.678 -12.382 784 HB3 LYS 111 HB3 LYS 111 19.968 1.301 -10.816 785 HG2 LYS 111 HG2 LYS 111 19.665 -1.022 -10.007 786 HG3 LYS 111 HG3 LYS 111 20.222 -1.629 -11.566 787 HD2 LYS 111 HD2 LYS 111 22.373 -0.382 -11.213 788 HD3 LYS 111 HD3 LYS 111 21.814 0.035 -9.594 789 HE2 LYS 111 HE2 LYS 111 21.423 -2.565 -9.382 790 HE3 LYS 111 HE3 LYS 111 22.597 -2.645 -10.697 791 HZ1 LYS 111 HZ1 LYS 111 24.199 -2.336 -9.224 792 HZ2 LYS 111 HZ2 LYS 111 23.065 -2.217 -7.964 793 HZ3 LYS 111 HZ3 LYS 111 23.549 -0.826 -8.810 794 H LEU 112 H LEU 112 17.467 2.253 -10.510 795 HA LEU 112 HA LEU 112 16.282 0.376 -8.522 796 HB2 LEU 112 HB3 LEU 112 17.868 2.263 -7.816 797 HB3 LEU 112 HB2 LEU 112 16.563 3.373 -8.234 798 HG LEU 112 HG LEU 112 15.930 1.041 -6.466 799 HD11 LEU 112 HD11 LEU 112 18.050 2.117 -5.595 800 HD12 LEU 112 HD12 LEU 112 16.680 2.198 -4.488 801 HD13 LEU 112 HD13 LEU 112 17.140 3.618 -5.429 802 HD21 LEU 112 HD21 LEU 112 14.119 2.486 -7.192 803 HD22 LEU 112 HD22 LEU 112 15.009 3.922 -6.686 804 HD23 LEU 112 HD23 LEU 112 14.412 2.783 -5.479 805 H VAL 113 H VAL 113 14.102 0.106 -8.512 806 HA VAL 113 HA VAL 113 12.445 2.175 -9.902 807 HB VAL 113 HB VAL 113 11.813 -0.780 -9.681 808 HG11 VAL 113 HG11 VAL 113 9.933 -0.322 -10.918 809 HG12 VAL 113 HG12 VAL 113 10.708 0.998 -11.796 810 HG13 VAL 113 HG13 VAL 113 10.111 1.259 -10.157 811 HG21 VAL 113 HG21 VAL 113 13.431 -1.059 -11.241 812 HG22 VAL 113 HG22 VAL 113 13.607 0.680 -11.481 813 HG23 VAL 113 HG23 VAL 113 12.348 -0.207 -12.341 814 H GLU 114 H GLU 114 13.006 0.386 -7.019 815 HA GLU 114 HA GLU 114 10.537 0.180 -5.771 816 HB2 GLU 114 HB3 GLU 114 12.789 -0.375 -4.760 817 HB3 GLU 114 HB2 GLU 114 12.987 1.346 -4.421 818 HG2 GLU 114 HG3 GLU 114 10.910 1.320 -3.084 819 HG3 GLU 114 HG2 GLU 114 10.717 -0.401 -3.419 820 H ASN 115 H ASN 115 12.577 3.123 -5.826 821 HA ASN 115 HA ASN 115 10.100 4.688 -5.218 822 HB2 ASN 115 HB3 ASN 115 13.003 5.332 -4.609 823 HB3 ASN 115 HB2 ASN 115 11.647 6.421 -4.305 824 HD21 ASN 115 HD21 ASN 115 9.886 5.490 -2.813 825 HD22 ASN 115 HD22 ASN 115 10.410 4.510 -1.531 826 H GLY 116 H GLY 116 11.218 3.788 -7.867 827 HA2 GLY 116 HA3 GLY 116 11.168 4.801 -10.006 828 HA3 GLY 116 HA2 GLY 116 10.957 6.366 -9.220 829 H GLY 117 H GLY 117 13.534 4.614 -7.881 830 HA2 GLY 117 HA2 GLY 117 15.841 5.075 -7.897 831 HA3 GLY 117 HA3 GLY 117 15.672 4.984 -9.651 832 H MET 118 H MET 118 14.143 7.348 -7.490 833 HA MET 118 HA MET 118 15.593 9.483 -8.994 834 HB2 MET 118 HB2 MET 118 12.992 9.628 -7.441 835 HB3 MET 118 HB3 MET 118 13.732 10.961 -8.324 836 HG2 MET 118 HG2 MET 118 12.812 8.338 -9.538 837 HG3 MET 118 HG3 MET 118 11.970 9.880 -9.675 838 HE1 MET 118 HE1 MET 118 14.582 12.165 -10.933 839 HE2 MET 118 HE2 MET 118 13.060 11.874 -10.093 840 HE3 MET 118 HE3 MET 118 13.093 11.906 -11.854 841 H PHE 119 H PHE 119 17.216 10.412 -7.862 842 HA PHE 119 HA PHE 119 16.823 10.803 -4.930 843 HB2 PHE 119 HB2 PHE 119 19.279 10.344 -4.638 844 HB3 PHE 119 HB3 PHE 119 18.348 8.931 -5.129 845 HD1 PHE 119 HD1 PHE 119 21.047 11.173 -5.982 846 HD2 PHE 119 HD2 PHE 119 18.301 8.290 -7.594 847 HE1 PHE 119 HE1 PHE 119 22.494 10.912 -7.980 848 HE2 PHE 119 HE2 PHE 119 19.747 8.030 -9.593 849 HZ PHE 119 HZ PHE 119 21.844 9.340 -9.785 850 H VAL 120 H VAL 120 17.826 12.718 -4.110 851 HA VAL 120 HA VAL 120 18.741 14.602 -6.247 852 HB VAL 120 HB VAL 120 16.638 15.422 -5.530 853 HG11 VAL 120 HG11 VAL 120 17.515 15.007 -2.659 854 HG12 VAL 120 HG12 VAL 120 16.499 13.874 -3.552 855 HG13 VAL 120 HG13 VAL 120 15.918 15.504 -3.220 856 HG21 VAL 120 HG21 VAL 120 18.680 16.800 -3.763 857 HG22 VAL 120 HG22 VAL 120 17.163 17.490 -4.341 858 HG23 VAL 120 HG23 VAL 120 18.460 17.126 -5.481 859 H CYS 121 H CYS 121 20.480 15.987 -5.710 860 HA CYS 121 HA CYS 121 21.681 15.913 -3.046 861 HB2 CYS 121 HB3 CYS 121 22.600 14.120 -5.179 862 HB3 CYS 121 HB2 CYS 121 23.884 15.138 -4.531 863 HG CYS 121 HG CYS 121 22.355 13.993 -2.226 864 H LYS 122 H LYS 122 23.925 17.125 -3.223 865 HA LYS 122 HA LYS 122 23.386 19.634 -4.597 866 HB2 LYS 122 HB2 LYS 122 24.610 19.301 -2.347 867 HB3 LYS 122 HB3 LYS 122 26.012 18.861 -3.322 868 HG2 LYS 122 HG2 LYS 122 25.790 21.033 -4.540 869 HG3 LYS 122 HG3 LYS 122 24.480 21.476 -3.447 870 HD2 LYS 122 HD3 LYS 122 26.009 21.264 -1.521 871 HD3 LYS 122 HD2 LYS 122 27.320 20.810 -2.610 872 HE2 LYS 122 HE2 LYS 122 27.790 23.013 -2.780 873 HE3 LYS 122 HE3 LYS 122 26.297 23.171 -3.706 874 HZ1 LYS 122 HZ1 LYS 122 25.234 23.253 -1.352 875 HZ2 LYS 122 HZ2 LYS 122 25.946 24.649 -2.012 876 HZ3 LYS 122 HZ3 LYS 122 26.790 23.725 -0.863 877 H THR 123 H THR 123 23.930 20.045 -6.680 878 HA THR 123 HA THR 123 25.067 18.311 -8.504 879 HB THR 123 HB THR 123 25.596 20.229 -9.889 880 HG1 THR 123 HG1 THR 123 26.676 21.600 -8.627 881 HG21 THR 123 HG21 THR 123 23.121 19.853 -8.571 882 HG22 THR 123 HG22 THR 123 23.401 20.637 -10.125 883 HG23 THR 123 HG23 THR 123 23.389 21.595 -8.644 884 H ARG 124 H ARG 124 26.727 20.186 -6.060 885 HA ARG 124 HA ARG 124 29.378 20.030 -7.097 886 HB2 ARG 124 HB2 ARG 124 28.660 21.416 -5.126 887 HB3 ARG 124 HB3 ARG 124 28.564 19.932 -4.178 888 HG2 ARG 124 HG2 ARG 124 30.955 19.484 -4.672 889 HG3 ARG 124 HG3 ARG 124 31.041 21.001 -5.566 890 HD2 ARG 124 HD2 ARG 124 30.411 22.237 -3.518 891 HD3 ARG 124 HD3 ARG 124 30.341 20.718 -2.626 892 HE ARG 124 HE ARG 124 32.687 20.796 -2.472 893 HH11 ARG 124 HH11 ARG 124 31.681 23.546 -4.076 894 HH12 ARG 124 HH12 ARG 124 33.166 23.817 -4.925 895 HH21 ARG 124 HH21 ARG 124 34.560 20.781 -4.000 896 HH22 ARG 124 HH22 ARG 124 34.796 22.253 -4.882 897 H HIS 125 H HIS 125 27.561 17.788 -4.996 898 HA HIS 125 HA HIS 125 29.694 15.914 -4.639 899 HB2 HIS 125 HB2 HIS 125 26.689 15.499 -4.631 900 HB3 HIS 125 HB3 HIS 125 27.863 14.301 -4.086 901 HD1 HIS 125 HD1 HIS 125 25.840 15.432 -2.066 902 HD2 HIS 125 HD2 HIS 125 29.624 17.068 -2.682 903 HE1 HIS 125 HE1 HIS 125 26.416 16.717 0.039 904 H LEU 126 H LEU 126 27.362 16.395 -7.229 905 HA LEU 126 HA LEU 126 28.255 13.909 -8.570 906 HB2 LEU 126 HB2 LEU 126 26.204 15.977 -9.420 907 HB3 LEU 126 HB3 LEU 126 26.502 14.434 -10.219 908 HG LEU 126 HG LEU 126 25.994 13.330 -7.971 909 HD11 LEU 126 HD21 LEU 126 25.408 16.203 -7.386 910 HD12 LEU 126 HD22 LEU 126 26.086 14.962 -6.333 911 HD13 LEU 126 HD23 LEU 126 24.355 14.982 -6.671 912 HD21 LEU 126 HD11 LEU 126 24.366 14.019 -10.060 913 HD22 LEU 126 HD12 LEU 126 23.515 14.760 -8.706 914 HD23 LEU 126 HD13 LEU 126 23.853 13.029 -8.693 915 H VAL 127 H VAL 127 29.226 13.967 -10.681 916 HA VAL 127 HA VAL 127 30.431 16.615 -11.385 917 HB VAL 127 HB VAL 127 32.082 15.002 -10.420 918 HG11 VAL 127 HG21 VAL 127 31.150 12.894 -11.092 919 HG12 VAL 127 HG22 VAL 127 32.685 13.056 -11.943 920 HG13 VAL 127 HG23 VAL 127 31.170 13.357 -12.793 921 HG21 VAL 127 HG11 VAL 127 32.536 15.403 -13.387 922 HG22 VAL 127 HG12 VAL 127 33.748 15.358 -12.107 923 HG23 VAL 127 HG13 VAL 127 32.635 16.721 -12.220 924 H LEU 128 H LEU 128 30.366 17.169 -13.564 925 HA LEU 128 HA LEU 128 28.538 15.624 -15.247 926 HB2 LEU 128 HB3 LEU 128 28.595 18.129 -15.242 927 HB3 LEU 128 HB2 LEU 128 30.203 18.057 -15.963 928 HG LEU 128 HG LEU 128 29.138 16.608 -17.797 929 HD11 LEU 128 HD11 LEU 128 26.854 17.128 -16.074 930 HD12 LEU 128 HD12 LEU 128 27.000 15.997 -17.419 931 HD13 LEU 128 HD13 LEU 128 26.549 17.675 -17.723 932 HD21 LEU 128 HD21 LEU 128 29.521 18.616 -18.773 933 HD22 LEU 128 HD22 LEU 128 28.995 19.502 -17.343 934 HD23 LEU 128 HD23 LEU 128 27.806 18.927 -18.511 935 H ALA 129 H ALA 129 29.187 14.008 -16.579 936 HA ALA 129 HA ALA 129 31.929 13.242 -16.867 937 HB1 ALA 129 HB1 ALA 129 31.141 11.519 -18.268 938 HB2 ALA 129 HB2 ALA 129 29.786 12.486 -18.849 939 HB3 ALA 129 HB3 ALA 129 29.768 11.837 -17.209 940 H GLY 130 H GLY 130 29.776 15.209 -18.875 941 HA2 GLY 130 HA3 GLY 130 30.771 17.016 -20.221 942 HA3 GLY 130 HA2 GLY 130 32.169 15.976 -20.489 Start of MODEL 5 1 H GLN 16 H GLN 16 -2.355 9.844 -12.047 2 HA GLN 16 HA GLN 16 -4.788 11.026 -12.617 3 HB2 GLN 16 HB2 GLN 16 -5.244 10.846 -10.157 4 HB3 GLN 16 HB3 GLN 16 -3.886 11.933 -9.867 5 HG2 GLN 16 HG3 GLN 16 -4.991 13.647 -11.295 6 HG3 GLN 16 HG2 GLN 16 -6.371 12.566 -11.488 7 HE21 GLN 16 HE21 GLN 16 -8.030 13.117 -10.075 8 HE22 GLN 16 HE22 GLN 16 -7.818 13.732 -8.507 9 H HIS 17 H HIS 17 -1.587 11.654 -11.241 10 HA HIS 17 HA HIS 17 -1.435 14.159 -12.849 11 HB2 HIS 17 HB2 HIS 17 0.261 13.105 -10.571 12 HB3 HIS 17 HB3 HIS 17 0.656 14.557 -11.484 13 HD1 HIS 17 HD1 HIS 17 -2.874 14.520 -11.432 14 HD2 HIS 17 HD2 HIS 17 0.011 15.480 -8.581 15 HE1 HIS 17 HE1 HIS 17 -4.034 15.951 -9.692 16 H GLU 18 H GLU 18 1.377 14.238 -13.140 17 HA GLU 18 HA GLU 18 1.797 11.938 -15.004 18 HB2 GLU 18 HB3 GLU 18 1.591 14.123 -16.140 19 HB3 GLU 18 HB2 GLU 18 2.912 14.755 -15.158 20 HG2 GLU 18 HG3 GLU 18 4.382 12.939 -16.078 21 HG3 GLU 18 HG2 GLU 18 3.064 12.482 -17.158 22 H TRP 19 H TRP 19 3.762 10.840 -14.892 23 HA TRP 19 HA TRP 19 5.293 11.174 -12.420 24 HB2 TRP 19 HB2 TRP 19 4.720 8.948 -13.568 25 HB3 TRP 19 HB3 TRP 19 5.982 9.350 -14.730 26 HD1 TRP 19 HD1 TRP 19 5.438 8.035 -11.269 27 HE1 TRP 19 HE1 TRP 19 7.709 7.537 -10.155 28 HE3 TRP 19 HE3 TRP 19 8.579 10.250 -14.634 29 HZ2 TRP 19 HZ2 TRP 19 10.490 8.012 -10.629 30 HZ3 TRP 19 HZ3 TRP 19 11.032 10.211 -14.279 31 HH2 TRP 19 HH2 TRP 19 11.990 9.096 -12.282 32 H GLY 20 H GLY 20 7.257 12.194 -12.235 33 HA2 GLY 20 HA3 GLY 20 9.443 12.811 -13.183 34 HA3 GLY 20 HA2 GLY 20 8.657 12.976 -14.754 35 H GLU 21 H GLU 21 6.657 14.221 -12.357 36 HA GLU 21 HA GLU 21 7.391 16.981 -13.152 37 HB2 GLU 21 HB3 GLU 21 5.016 16.291 -13.302 38 HB3 GLU 21 HB2 GLU 21 5.013 15.954 -11.571 39 HG2 GLU 21 HG2 GLU 21 5.689 18.355 -11.186 40 HG3 GLU 21 HG3 GLU 21 5.445 18.640 -12.909 41 H LEU 22 H LEU 22 8.570 18.241 -11.797 42 HA LEU 22 HA LEU 22 9.183 17.265 -9.091 43 HB2 LEU 22 HB3 LEU 22 10.944 18.268 -10.548 44 HB3 LEU 22 HB2 LEU 22 10.082 19.805 -10.487 45 HG LEU 22 HG LEU 22 10.249 19.638 -7.941 46 HD11 LEU 22 HD11 LEU 22 12.552 17.778 -8.421 47 HD12 LEU 22 HD12 LEU 22 10.930 17.102 -8.271 48 HD13 LEU 22 HD13 LEU 22 11.618 18.042 -6.948 49 HD21 LEU 22 HD21 LEU 22 12.295 20.769 -7.949 50 HD22 LEU 22 HD22 LEU 22 11.793 20.927 -9.632 51 HD23 LEU 22 HD23 LEU 22 12.987 19.711 -9.178 52 H VAL 23 H VAL 23 8.826 18.603 -7.176 53 HA VAL 23 HA VAL 23 6.819 20.774 -7.491 54 HB VAL 23 HB VAL 23 5.381 19.814 -5.763 55 HG11 VAL 23 HG21 VAL 23 4.322 18.301 -7.150 56 HG12 VAL 23 HG22 VAL 23 5.823 17.473 -7.567 57 HG13 VAL 23 HG23 VAL 23 5.432 19.021 -8.315 58 HG21 VAL 23 HG11 VAL 23 7.194 17.389 -5.826 59 HG22 VAL 23 HG12 VAL 23 5.834 17.682 -4.743 60 HG23 VAL 23 HG13 VAL 23 7.306 18.642 -4.592 61 H GLN 24 H GLN 24 6.884 22.298 -5.781 62 HA GLN 24 HA GLN 24 9.264 22.017 -3.999 63 HB2 GLN 24 HB3 GLN 24 9.354 23.971 -5.464 64 HB3 GLN 24 HB2 GLN 24 7.755 24.482 -4.922 65 HG2 GLN 24 HG2 GLN 24 8.561 24.869 -2.680 66 HG3 GLN 24 HG3 GLN 24 10.118 24.135 -3.058 67 HE21 GLN 24 HE21 GLN 24 10.778 26.461 -2.225 68 HE22 GLN 24 HE22 GLN 24 10.925 27.654 -3.424 69 H LEU 25 H LEU 25 8.628 21.262 -2.028 70 HA LEU 25 HA LEU 25 5.949 21.631 -0.995 71 HB2 LEU 25 HB2 LEU 25 7.500 19.710 -0.426 72 HB3 LEU 25 HB3 LEU 25 8.421 20.840 0.566 73 HG LEU 25 HG LEU 25 5.449 20.628 0.947 74 HD11 LEU 25 HD11 LEU 25 6.837 18.986 2.847 75 HD12 LEU 25 HD12 LEU 25 7.240 18.433 1.221 76 HD13 LEU 25 HD13 LEU 25 5.554 18.522 1.730 77 HD21 LEU 25 HD21 LEU 25 6.768 20.859 3.382 78 HD22 LEU 25 HD22 LEU 25 6.062 22.190 2.466 79 HD23 LEU 25 HD23 LEU 25 7.773 21.804 2.283 80 H ASP 26 H ASP 26 9.010 23.327 -0.610 81 HA ASP 26 HA ASP 26 7.566 25.536 0.710 82 HB2 ASP 26 HB3 ASP 26 9.231 23.650 2.158 83 HB3 ASP 26 HB2 ASP 26 9.904 25.277 2.254 84 HA PRO 27 HA PRO 27 10.562 28.121 -1.298 85 HB2 PRO 27 HB2 PRO 27 11.541 29.770 0.607 86 HB3 PRO 27 HB3 PRO 27 9.904 29.913 -0.036 87 HG2 PRO 27 HG3 PRO 27 10.837 28.627 2.502 88 HG3 PRO 27 HG2 PRO 27 9.443 29.678 2.237 89 HD2 PRO 27 HD2 PRO 27 9.194 26.997 2.414 90 HD3 PRO 27 HD3 PRO 27 8.151 27.964 1.371 91 H GLN 28 H GLN 28 11.584 25.912 1.023 92 HA GLN 28 HA GLN 28 14.389 26.179 0.070 93 HB2 GLN 28 HB3 GLN 28 13.527 25.929 2.967 94 HB3 GLN 28 HB2 GLN 28 15.186 25.718 2.406 95 HG2 GLN 28 HG3 GLN 28 15.139 28.018 1.469 96 HG3 GLN 28 HG2 GLN 28 13.502 28.224 2.093 97 HE21 GLN 28 HE21 GLN 28 15.573 29.941 2.999 98 HE22 GLN 28 HE22 GLN 28 15.928 29.583 4.620 99 H THR 29 H THR 29 11.783 24.297 0.112 100 HA THR 29 HA THR 29 13.416 21.805 0.335 101 HB THR 29 HB THR 29 10.553 22.172 1.275 102 HG1 THR 29 HG1 THR 29 11.411 22.482 3.153 103 HG21 THR 29 HG21 THR 29 12.311 19.802 0.823 104 HG22 THR 29 HG22 THR 29 10.565 19.960 0.628 105 HG23 THR 29 HG23 THR 29 11.260 19.786 2.239 106 H VAL 30 H VAL 30 13.113 20.379 -1.357 107 HA VAL 30 HA VAL 30 10.922 21.027 -3.288 108 HB VAL 30 HB VAL 30 12.612 20.133 -5.038 109 HG11 VAL 30 HG21 VAL 30 13.627 22.699 -3.920 110 HG12 VAL 30 HG22 VAL 30 11.908 22.628 -4.304 111 HG13 VAL 30 HG23 VAL 30 13.104 22.316 -5.560 112 HG21 VAL 30 HG11 VAL 30 14.122 19.611 -2.816 113 HG22 VAL 30 HG12 VAL 30 14.782 21.165 -3.322 114 HG23 VAL 30 HG13 VAL 30 14.783 19.801 -4.439 115 H GLY 31 H GLY 31 10.242 19.136 -4.593 116 HA2 GLY 31 HA2 GLY 31 11.074 16.490 -3.575 117 HA3 GLY 31 HA3 GLY 31 9.383 16.926 -3.327 118 H VAL 32 H VAL 32 10.164 14.730 -4.943 119 HA VAL 32 HA VAL 32 9.266 15.718 -7.618 120 HB VAL 32 HB VAL 32 11.025 13.302 -7.441 121 HG11 VAL 32 HG11 VAL 32 11.469 15.349 -9.497 122 HG12 VAL 32 HG12 VAL 32 9.816 14.736 -9.477 123 HG13 VAL 32 HG13 VAL 32 11.165 13.621 -9.681 124 HG21 VAL 32 HG21 VAL 32 12.648 14.509 -6.413 125 HG22 VAL 32 HG22 VAL 32 11.805 16.034 -6.683 126 HG23 VAL 32 HG23 VAL 32 12.804 15.340 -7.960 127 H ILE 33 H ILE 33 7.583 14.550 -8.487 128 HA ILE 33 HA ILE 33 6.238 12.617 -6.790 129 HB ILE 33 HB ILE 33 5.711 13.430 -9.663 130 HG12 ILE 33 HG13 ILE 33 4.309 14.276 -7.113 131 HG13 ILE 33 HG12 ILE 33 5.559 15.236 -7.905 132 HG21 ILE 33 HG21 ILE 33 3.359 12.546 -8.406 133 HG22 ILE 33 HG22 ILE 33 4.589 11.359 -7.969 134 HG23 ILE 33 HG23 ILE 33 4.261 11.705 -9.667 135 HD11 ILE 33 HD11 ILE 33 2.746 14.950 -8.598 136 HD12 ILE 33 HD12 ILE 33 3.789 14.555 -9.964 137 HD13 ILE 33 HD13 ILE 33 3.924 16.128 -9.179 138 H VAL 34 H VAL 34 6.451 10.427 -6.831 139 HA VAL 34 HA VAL 34 7.888 9.219 -9.161 140 HB VAL 34 HB VAL 34 8.508 7.455 -7.264 141 HG11 VAL 34 HG21 VAL 34 9.771 10.022 -8.111 142 HG12 VAL 34 HG22 VAL 34 10.353 8.368 -8.299 143 HG13 VAL 34 HG23 VAL 34 10.496 9.181 -6.741 144 HG21 VAL 34 HG11 VAL 34 8.513 10.003 -5.653 145 HG22 VAL 34 HG12 VAL 34 8.688 8.340 -5.089 146 HG23 VAL 34 HG13 VAL 34 7.115 8.927 -5.630 147 H ARG 35 H ARG 35 5.346 8.923 -6.748 148 HA ARG 35 HA ARG 35 4.199 6.692 -8.374 149 HB2 ARG 35 HB3 ARG 35 4.187 6.971 -5.352 150 HB3 ARG 35 HB2 ARG 35 3.279 5.755 -6.249 151 HG2 ARG 35 HG2 ARG 35 6.291 6.097 -6.355 152 HG3 ARG 35 HG3 ARG 35 5.449 4.871 -5.408 153 HD2 ARG 35 HD2 ARG 35 4.437 3.980 -7.492 154 HD3 ARG 35 HD3 ARG 35 5.326 5.184 -8.424 155 HE ARG 35 HE ARG 35 7.247 3.799 -6.903 156 HH11 ARG 35 HH11 ARG 35 6.370 1.248 -7.132 157 HH12 ARG 35 HH12 ARG 35 6.576 0.758 -8.780 158 HH21 ARG 35 HH21 ARG 35 6.871 3.997 -9.985 159 HH22 ARG 35 HH22 ARG 35 6.860 2.313 -10.396 160 H LEU 36 H LEU 36 2.222 7.242 -9.154 161 HA LEU 36 HA LEU 36 0.827 9.563 -7.917 162 HB2 LEU 36 HB2 LEU 36 0.421 8.167 -10.580 163 HB3 LEU 36 HB3 LEU 36 -0.525 9.543 -10.016 164 HG LEU 36 HG LEU 36 1.230 10.374 -11.460 165 HD11 LEU 36 HD21 LEU 36 2.004 10.850 -8.571 166 HD12 LEU 36 HD22 LEU 36 0.703 11.685 -9.421 167 HD13 LEU 36 HD23 LEU 36 2.373 11.900 -9.940 168 HD21 LEU 36 HD11 LEU 36 3.411 9.410 -9.677 169 HD22 LEU 36 HD12 LEU 36 3.416 9.664 -11.422 170 HD23 LEU 36 HD13 LEU 36 2.668 8.219 -10.743 171 H GLU 37 H GLU 37 -0.759 9.070 -6.490 172 HA GLU 37 HA GLU 37 -2.299 6.542 -6.936 173 HB2 GLU 37 HB2 GLU 37 -0.805 6.750 -4.827 174 HB3 GLU 37 HB3 GLU 37 -2.012 7.902 -4.257 175 HG2 GLU 37 HG2 GLU 37 -3.777 6.194 -4.559 176 HG3 GLU 37 HG3 GLU 37 -2.557 5.040 -5.100 177 H ARG 38 H ARG 38 -4.589 6.681 -6.172 178 HA ARG 38 HA ARG 38 -5.784 9.199 -7.053 179 HB2 ARG 38 HB3 ARG 38 -6.805 6.982 -7.569 180 HB3 ARG 38 HB2 ARG 38 -7.110 6.752 -5.847 181 HG2 ARG 38 HG2 ARG 38 -8.450 8.866 -5.853 182 HG3 ARG 38 HG3 ARG 38 -8.229 8.960 -7.600 183 HD2 ARG 38 HD2 ARG 38 -9.292 6.715 -7.819 184 HD3 ARG 38 HD3 ARG 38 -9.589 6.714 -6.081 185 HE ARG 38 HE ARG 38 -10.728 9.090 -7.005 186 HH11 ARG 38 HH11 ARG 38 -11.498 7.936 -9.507 187 HH12 ARG 38 HH12 ARG 38 -12.938 7.039 -9.154 188 HH21 ARG 38 HH21 ARG 38 -12.373 6.975 -5.732 189 HH22 ARG 38 HH22 ARG 38 -13.433 6.495 -7.015 190 H GLU 39 H GLU 39 -5.131 7.589 -4.003 191 HA GLU 39 HA GLU 39 -6.819 9.366 -2.428 192 HB2 GLU 39 HB2 GLU 39 -4.587 7.461 -1.666 193 HB3 GLU 39 HB3 GLU 39 -5.553 8.360 -0.495 194 HG2 GLU 39 HG2 GLU 39 -7.610 7.320 -1.446 195 HG3 GLU 39 HG3 GLU 39 -6.598 6.366 -2.529 196 H THR 40 H THR 40 -3.386 9.218 -3.307 197 HA THR 40 HA THR 40 -3.088 12.073 -2.881 198 HB THR 40 HB THR 40 -1.069 11.294 -1.178 199 HG1 THR 40 HG1 THR 40 -1.904 9.222 -0.981 200 HG21 THR 40 HG21 THR 40 -2.090 12.810 0.153 201 HG22 THR 40 HG22 THR 40 -3.582 11.871 0.214 202 HG23 THR 40 HG23 THR 40 -3.279 12.957 -1.142 203 H PHE 41 H PHE 41 -0.556 12.570 -3.025 204 HA PHE 41 HA PHE 41 0.527 10.734 -5.125 205 HB2 PHE 41 HB3 PHE 41 0.920 13.715 -4.736 206 HB3 PHE 41 HB2 PHE 41 1.774 12.749 -5.941 207 HD1 PHE 41 HD1 PHE 41 0.346 11.393 -7.617 208 HD2 PHE 41 HD2 PHE 41 -1.222 14.578 -5.195 209 HE1 PHE 41 HE1 PHE 41 -1.585 11.614 -9.155 210 HE2 PHE 41 HE2 PHE 41 -3.153 14.797 -6.736 211 HZ PHE 41 HZ PHE 41 -3.332 13.317 -8.716 212 H GLN 42 H GLN 42 2.631 9.987 -4.875 213 HA GLN 42 HA GLN 42 3.927 10.649 -2.273 214 HB2 GLN 42 HB2 GLN 42 3.385 8.243 -2.833 215 HB3 GLN 42 HB3 GLN 42 4.560 8.351 -4.142 216 HG2 GLN 42 HG2 GLN 42 6.323 8.934 -2.526 217 HG3 GLN 42 HG3 GLN 42 5.150 8.862 -1.210 218 HE21 GLN 42 HE21 GLN 42 7.306 7.135 -1.000 219 HE22 GLN 42 HE22 GLN 42 6.854 5.541 -1.373 220 H VAL 43 H VAL 43 5.772 11.844 -2.296 221 HA VAL 43 HA VAL 43 7.365 11.909 -4.814 222 HB VAL 43 HB VAL 43 7.449 14.243 -4.879 223 HG11 VAL 43 HG21 VAL 43 5.066 13.189 -5.098 224 HG12 VAL 43 HG22 VAL 43 5.213 14.942 -4.978 225 HG13 VAL 43 HG23 VAL 43 4.754 13.997 -3.561 226 HG21 VAL 43 HG11 VAL 43 6.916 15.701 -2.977 227 HG22 VAL 43 HG12 VAL 43 8.145 14.523 -2.514 228 HG23 VAL 43 HG13 VAL 43 6.470 14.296 -2.006 229 H LEU 44 H LEU 44 9.632 12.504 -4.452 230 HA LEU 44 HA LEU 44 10.559 11.573 -1.795 231 HB2 LEU 44 HB2 LEU 44 11.577 10.546 -3.781 232 HB3 LEU 44 HB3 LEU 44 12.084 12.134 -4.359 233 HG LEU 44 HG LEU 44 13.195 12.260 -1.939 234 HD11 LEU 44 HD11 LEU 44 12.298 10.075 -1.221 235 HD12 LEU 44 HD12 LEU 44 14.060 10.045 -1.272 236 HD13 LEU 44 HD13 LEU 44 13.127 9.291 -2.565 237 HD21 LEU 44 HD21 LEU 44 15.039 10.663 -3.332 238 HD22 LEU 44 HD22 LEU 44 14.914 12.421 -3.389 239 HD23 LEU 44 HD23 LEU 44 14.067 11.438 -4.583 240 H ASN 45 H ASN 45 11.404 12.966 -0.306 241 HA ASN 45 HA ASN 45 11.458 15.834 -0.950 242 HB2 ASN 45 HB2 ASN 45 10.605 14.785 1.248 243 HB3 ASN 45 HB3 ASN 45 12.306 14.582 1.665 244 HD21 ASN 45 HD21 ASN 45 10.878 16.293 3.299 245 HD22 ASN 45 HD22 ASN 45 11.276 17.911 2.974 246 H MET 46 H MET 46 13.320 17.113 -0.980 247 HA MET 46 HA MET 46 15.691 16.185 -2.045 248 HB2 MET 46 HB2 MET 46 16.781 18.208 -0.920 249 HB3 MET 46 HB3 MET 46 15.367 18.545 -1.918 250 HG2 MET 46 HG3 MET 46 13.939 18.632 0.053 251 HG3 MET 46 HG2 MET 46 15.282 18.142 1.087 252 HE1 MET 46 HE1 MET 46 13.948 20.069 2.146 253 HE2 MET 46 HE2 MET 46 14.534 21.730 2.113 254 HE3 MET 46 HE3 MET 46 15.563 20.453 2.758 255 H TYR 47 H TYR 47 14.667 15.918 1.285 256 HA TYR 47 HA TYR 47 17.266 15.393 2.413 257 HB2 TYR 47 HB3 TYR 47 14.495 14.557 3.318 258 HB3 TYR 47 HB2 TYR 47 15.959 14.348 4.278 259 HD1 TYR 47 HD1 TYR 47 17.235 16.328 5.073 260 HD2 TYR 47 HD2 TYR 47 13.476 16.721 3.033 261 HE1 TYR 47 HE1 TYR 47 17.050 18.671 5.867 262 HE2 TYR 47 HE2 TYR 47 13.292 19.064 3.825 263 HH TYR 47 HH TYR 47 15.048 20.311 6.298 264 H GLY 48 H GLY 48 15.489 13.666 0.163 265 HA2 GLY 48 HA3 GLY 48 16.077 11.591 -0.818 266 HA3 GLY 48 HA2 GLY 48 17.192 11.308 0.520 267 H LYS 49 H LYS 49 13.757 12.174 0.734 268 HA LYS 49 HA LYS 49 13.191 9.432 1.779 269 HB2 LYS 49 HB2 LYS 49 13.626 11.032 3.674 270 HB3 LYS 49 HB3 LYS 49 12.248 11.982 3.119 271 HG2 LYS 49 HG2 LYS 49 10.805 9.958 3.363 272 HG3 LYS 49 HG3 LYS 49 12.190 9.086 4.022 273 HD2 LYS 49 HD2 LYS 49 12.367 10.888 5.789 274 HD3 LYS 49 HD3 LYS 49 10.837 11.532 5.194 275 HE2 LYS 49 HE2 LYS 49 9.624 9.849 6.133 276 HE3 LYS 49 HE3 LYS 49 10.827 8.626 5.723 277 HZ1 LYS 49 HZ1 LYS 49 11.865 10.422 7.645 278 HZ2 LYS 49 HZ2 LYS 49 11.654 8.740 7.758 279 HZ3 LYS 49 HZ3 LYS 49 10.391 9.789 8.194 280 H VAL 50 H VAL 50 11.208 8.644 1.137 281 HA VAL 50 HA VAL 50 9.567 10.447 -0.574 282 HB VAL 50 HB VAL 50 8.608 8.397 -1.502 283 HG11 VAL 50 HG21 VAL 50 10.702 9.127 -2.498 284 HG12 VAL 50 HG22 VAL 50 10.714 7.367 -2.398 285 HG13 VAL 50 HG23 VAL 50 11.627 8.322 -1.231 286 HG21 VAL 50 HG11 VAL 50 8.546 7.038 0.519 287 HG22 VAL 50 HG12 VAL 50 10.308 7.025 0.602 288 HG23 VAL 50 HG13 VAL 50 9.480 6.188 -0.712 289 H VAL 51 H VAL 51 7.469 10.947 -0.004 290 HA VAL 51 HA VAL 51 6.146 9.414 2.152 291 HB VAL 51 HB VAL 51 5.682 11.420 3.482 292 HG11 VAL 51 HG11 VAL 51 8.031 11.907 4.224 293 HG12 VAL 51 HG12 VAL 51 8.613 11.007 2.823 294 HG13 VAL 51 HG13 VAL 51 7.686 10.184 4.077 295 HG21 VAL 51 HG21 VAL 51 6.737 13.562 2.923 296 HG22 VAL 51 HG22 VAL 51 5.722 13.026 1.584 297 HG23 VAL 51 HG23 VAL 51 7.474 12.844 1.489 298 H THR 52 H THR 52 3.823 10.015 2.319 299 HA THR 52 HA THR 52 2.762 10.685 -0.347 300 HB THR 52 HB THR 52 1.230 9.985 2.172 301 HG1 THR 52 HG1 THR 52 2.932 8.479 1.122 302 HG21 THR 52 HG21 THR 52 0.577 10.039 -0.777 303 HG22 THR 52 HG22 THR 52 -0.232 10.904 0.530 304 HG23 THR 52 HG23 THR 52 -0.404 9.154 0.391 305 H VAL 53 H VAL 53 1.429 12.482 -0.772 306 HA VAL 53 HA VAL 53 1.001 14.429 1.430 307 HB VAL 53 HB VAL 53 1.908 16.272 0.110 308 HG11 VAL 53 HG21 VAL 53 3.987 14.092 -0.030 309 HG12 VAL 53 HG22 VAL 53 3.405 14.690 1.525 310 HG13 VAL 53 HG23 VAL 53 4.198 15.790 0.398 311 HG21 VAL 53 HG11 VAL 53 2.008 16.075 -2.129 312 HG22 VAL 53 HG12 VAL 53 1.642 14.354 -2.016 313 HG23 VAL 53 HG13 VAL 53 3.315 14.906 -1.945 314 H ARG 54 H ARG 54 -0.803 15.801 1.051 315 HA ARG 54 HA ARG 54 -2.763 14.729 -0.823 316 HB2 ARG 54 HB2 ARG 54 -2.851 17.174 0.973 317 HB3 ARG 54 HB3 ARG 54 -4.227 16.520 0.085 318 HG2 ARG 54 HG2 ARG 54 -3.961 14.367 1.292 319 HG3 ARG 54 HG3 ARG 54 -2.621 15.059 2.206 320 HD2 ARG 54 HD2 ARG 54 -4.224 16.880 2.962 321 HD3 ARG 54 HD3 ARG 54 -5.523 15.924 2.247 322 HE ARG 54 HE ARG 54 -4.300 14.101 3.884 323 HH11 ARG 54 HH11 ARG 54 -6.307 16.799 4.162 324 HH12 ARG 54 HH12 ARG 54 -6.273 16.856 5.893 325 HH21 ARG 54 HH21 ARG 54 -3.849 14.393 6.189 326 HH22 ARG 54 HH22 ARG 54 -4.882 15.493 7.041 327 H HIS 55 H HIS 55 -3.748 15.963 -2.556 328 HA HIS 55 HA HIS 55 -2.061 17.143 -4.399 329 HB2 HIS 55 HB2 HIS 55 -4.458 16.574 -4.814 330 HB3 HIS 55 HB3 HIS 55 -4.925 18.014 -3.908 331 HD1 HIS 55 HD1 HIS 55 -2.556 17.231 -6.809 332 HD2 HIS 55 HD2 HIS 55 -5.245 20.173 -5.589 333 HE1 HIS 55 HE1 HIS 55 -2.596 18.971 -8.648 334 H GLN 56 H GLN 56 -3.754 18.783 -1.737 335 HA GLN 56 HA GLN 56 -2.790 21.418 -2.460 336 HB2 GLN 56 HB3 GLN 56 -3.854 20.348 0.172 337 HB3 GLN 56 HB2 GLN 56 -3.573 22.053 -0.184 338 HG2 GLN 56 HG3 GLN 56 -5.197 21.975 -2.008 339 HG3 GLN 56 HG2 GLN 56 -5.426 20.243 -1.765 340 HE21 GLN 56 HE21 GLN 56 -7.603 22.123 -1.533 341 HE22 GLN 56 HE22 GLN 56 -8.104 22.158 0.089 342 H ALA 57 H ALA 57 -1.514 18.744 -0.609 343 HA ALA 57 HA ALA 57 0.525 20.325 0.751 344 HB1 ALA 57 HB1 ALA 57 1.448 18.139 1.412 345 HB2 ALA 57 HB2 ALA 57 0.359 17.331 0.284 346 HB3 ALA 57 HB3 ALA 57 -0.293 18.182 1.684 347 H VAL 58 H VAL 58 0.128 19.158 -2.412 348 HA VAL 58 HA VAL 58 3.074 19.189 -2.894 349 HB VAL 58 HB VAL 58 1.730 18.443 -5.269 350 HG11 VAL 58 HG11 VAL 58 3.353 17.042 -3.159 351 HG12 VAL 58 HG12 VAL 58 3.817 17.481 -4.802 352 HG13 VAL 58 HG13 VAL 58 2.705 16.140 -4.529 353 HG21 VAL 58 HG21 VAL 58 0.563 17.141 -2.795 354 HG22 VAL 58 HG22 VAL 58 0.486 16.409 -4.398 355 HG23 VAL 58 HG23 VAL 58 -0.311 17.953 -4.096 356 H THR 59 H THR 59 3.827 20.393 -4.805 357 HA THR 59 HA THR 59 1.950 22.550 -5.664 358 HB THR 59 HB THR 59 3.611 24.238 -5.335 359 HG1 THR 59 HG1 THR 59 5.370 22.118 -4.661 360 HG21 THR 59 HG21 THR 59 2.439 23.117 -3.271 361 HG22 THR 59 HG22 THR 59 3.746 24.271 -3.006 362 HG23 THR 59 HG23 THR 59 4.063 22.540 -2.901 363 H ARG 60 H ARG 60 2.822 23.683 -7.669 364 HA ARG 60 HA ARG 60 4.307 21.718 -9.369 365 HB2 ARG 60 HB2 ARG 60 2.132 23.676 -10.169 366 HB3 ARG 60 HB3 ARG 60 3.017 22.636 -11.284 367 HG2 ARG 60 HG2 ARG 60 2.209 20.649 -10.001 368 HG3 ARG 60 HG3 ARG 60 1.241 21.730 -8.997 369 HD2 ARG 60 HD2 ARG 60 0.136 22.561 -11.114 370 HD3 ARG 60 HD3 ARG 60 0.977 21.276 -11.982 371 HE ARG 60 HE ARG 60 -0.695 20.473 -9.671 372 HH11 ARG 60 HH11 ARG 60 -1.107 18.215 -10.501 373 HH12 ARG 60 HH12 ARG 60 -1.910 18.154 -12.034 374 HH21 ARG 60 HH21 ARG 60 -1.337 21.494 -12.767 375 HH22 ARG 60 HH22 ARG 60 -2.040 20.010 -13.317 376 H LYS 61 H LYS 61 6.042 22.517 -10.534 377 HA LYS 61 HA LYS 61 6.454 25.468 -10.561 378 HB2 LYS 61 HB2 LYS 61 7.743 24.530 -8.659 379 HB3 LYS 61 HB3 LYS 61 8.559 23.429 -9.770 380 HG2 LYS 61 HG2 LYS 61 10.050 25.265 -9.537 381 HG3 LYS 61 HG3 LYS 61 9.243 25.538 -11.081 382 HD2 LYS 61 HD2 LYS 61 7.663 27.080 -9.999 383 HD3 LYS 61 HD3 LYS 61 8.427 26.785 -8.437 384 HE2 LYS 61 HE2 LYS 61 10.401 27.905 -9.052 385 HE3 LYS 61 HE3 LYS 61 10.063 27.749 -10.776 386 HZ1 LYS 61 HZ1 LYS 61 8.366 29.346 -8.949 387 HZ2 LYS 61 HZ2 LYS 61 8.374 29.360 -10.648 388 HZ3 LYS 61 HZ3 LYS 61 9.685 30.008 -9.784 389 H LYS 62 H LYS 62 6.977 26.127 -12.591 390 HA LYS 62 HA LYS 62 7.588 24.085 -14.628 391 HB2 LYS 62 HB2 LYS 62 5.959 25.971 -15.031 392 HB3 LYS 62 HB3 LYS 62 7.327 27.084 -14.980 393 HG2 LYS 62 HG2 LYS 62 7.026 26.594 -17.288 394 HG3 LYS 62 HG3 LYS 62 8.389 25.593 -16.788 395 HD2 LYS 62 HD2 LYS 62 6.912 23.661 -16.521 396 HD3 LYS 62 HD3 LYS 62 5.509 24.652 -16.924 397 HE2 LYS 62 HE2 LYS 62 5.865 24.277 -19.114 398 HE3 LYS 62 HE3 LYS 62 7.470 24.996 -18.981 399 HZ1 LYS 62 HZ1 LYS 62 7.139 22.281 -17.969 400 HZ2 LYS 62 HZ2 LYS 62 8.460 22.991 -18.768 401 HZ3 LYS 62 HZ3 LYS 62 7.103 22.480 -19.653 402 H ASP 63 H ASP 63 9.611 23.722 -15.430 403 HA ASP 63 HA ASP 63 11.812 25.442 -14.401 404 HB2 ASP 63 HB2 ASP 63 13.286 23.570 -15.083 405 HB3 ASP 63 HB3 ASP 63 12.020 23.026 -13.982 406 H ASN 64 H ASN 64 13.529 26.067 -15.930 407 HA ASN 64 HA ASN 64 12.531 26.256 -18.744 408 HB2 ASN 64 HB2 ASN 64 14.104 28.329 -17.184 409 HB3 ASN 64 HB3 ASN 64 13.622 28.469 -18.874 410 HD21 ASN 64 HD21 ASN 64 10.974 27.470 -18.751 411 HD22 ASN 64 HD22 ASN 64 10.034 28.488 -17.772 412 H ARG 65 H ARG 65 14.069 25.879 -20.359 413 HA ARG 65 HA ARG 65 16.284 24.218 -19.782 414 HB2 ARG 65 HB2 ARG 65 15.827 26.027 -22.174 415 HB3 ARG 65 HB3 ARG 65 17.031 24.741 -22.102 416 HG2 ARG 65 HG2 ARG 65 15.191 23.109 -21.644 417 HG3 ARG 65 HG3 ARG 65 14.025 24.413 -21.862 418 HD2 ARG 65 HD2 ARG 65 15.002 24.791 -24.159 419 HD3 ARG 65 HD3 ARG 65 15.964 23.332 -23.926 420 HE ARG 65 HE ARG 65 14.033 22.167 -24.573 421 HH11 ARG 65 HH11 ARG 65 11.899 21.538 -23.916 422 HH12 ARG 65 HH12 ARG 65 10.776 22.795 -23.518 423 HH21 ARG 65 HH21 ARG 65 13.157 25.315 -23.602 424 HH22 ARG 65 HH22 ARG 65 11.488 24.933 -23.340 425 H PHE 66 H PHE 66 16.023 27.719 -19.886 426 HA PHE 66 HA PHE 66 18.779 28.384 -20.055 427 HB2 PHE 66 HB2 PHE 66 16.904 30.031 -20.180 428 HB3 PHE 66 HB3 PHE 66 16.644 29.821 -18.448 429 HD1 PHE 66 HD1 PHE 66 18.162 30.766 -16.824 430 HD2 PHE 66 HD2 PHE 66 19.001 31.047 -21.027 431 HE1 PHE 66 HE1 PHE 66 19.947 32.423 -16.356 432 HE2 PHE 66 HE2 PHE 66 20.786 32.703 -20.559 433 HZ PHE 66 HZ PHE 66 21.260 33.390 -18.224 434 H ALA 67 H ALA 67 16.816 27.305 -17.329 435 HA ALA 67 HA ALA 67 18.500 27.948 -15.176 436 HB1 ALA 67 HB1 ALA 67 17.155 26.560 -13.971 437 HB2 ALA 67 HB2 ALA 67 17.391 25.211 -15.084 438 HB3 ALA 67 HB3 ALA 67 16.212 26.469 -15.459 439 H VAL 68 H VAL 68 20.706 27.777 -15.811 440 HA VAL 68 HA VAL 68 21.695 24.960 -15.950 441 HB VAL 68 HB VAL 68 23.349 25.598 -17.601 442 HG11 VAL 68 HG21 VAL 68 21.105 26.980 -18.891 443 HG12 VAL 68 HG22 VAL 68 20.624 25.489 -18.081 444 HG13 VAL 68 HG23 VAL 68 21.878 25.454 -19.320 445 HG21 VAL 68 HG11 VAL 68 22.188 28.386 -17.308 446 HG22 VAL 68 HG12 VAL 68 23.386 27.913 -18.513 447 HG23 VAL 68 HG13 VAL 68 23.796 27.871 -16.799 448 H ALA 69 H ALA 69 23.519 24.563 -14.699 449 HA ALA 69 HA ALA 69 24.592 26.906 -13.176 450 HB1 ALA 69 HB1 ALA 69 24.258 24.023 -12.293 451 HB2 ALA 69 HB2 ALA 69 23.338 25.409 -11.707 452 HB3 ALA 69 HB3 ALA 69 25.058 25.275 -11.344 453 H LEU 70 H LEU 70 26.841 27.062 -13.000 454 HA LEU 70 HA LEU 70 28.369 25.324 -14.851 455 HB2 LEU 70 HB2 LEU 70 28.600 27.821 -14.952 456 HB3 LEU 70 HB3 LEU 70 29.292 27.780 -13.331 457 HG LEU 70 HG LEU 70 31.036 26.181 -14.204 458 HD11 LEU 70 HD11 LEU 70 29.685 26.912 -16.814 459 HD12 LEU 70 HD12 LEU 70 29.926 25.297 -16.146 460 HD13 LEU 70 HD13 LEU 70 31.307 26.225 -16.729 461 HD21 LEU 70 HD21 LEU 70 31.898 28.328 -14.017 462 HD22 LEU 70 HD22 LEU 70 30.719 29.009 -15.137 463 HD23 LEU 70 HD23 LEU 70 32.078 28.069 -15.752 464 H ASP 71 H ASP 71 29.845 23.829 -14.133 465 HA ASP 71 HA ASP 71 29.942 23.298 -11.245 466 HB2 ASP 71 HB3 ASP 71 29.821 21.541 -13.152 467 HB3 ASP 71 HB2 ASP 71 31.548 21.845 -13.342 468 H SER 72 H SER 72 31.592 23.902 -9.921 469 HA SER 72 HA SER 72 33.522 25.807 -10.578 470 HB2 SER 72 HB2 SER 72 33.813 23.609 -8.508 471 HB3 SER 72 HB3 SER 72 34.700 25.133 -8.534 472 HG SER 72 HG SER 72 33.052 26.073 -7.672 473 H GLU 73 H GLU 73 33.542 22.415 -11.310 474 HA GLU 73 HA GLU 73 36.440 22.346 -11.811 475 HB2 GLU 73 HB2 GLU 73 34.281 20.312 -12.447 476 HB3 GLU 73 HB3 GLU 73 36.020 20.036 -12.554 477 HG2 GLU 73 HG2 GLU 73 36.240 20.492 -10.137 478 HG3 GLU 73 HG3 GLU 73 34.501 20.767 -10.031 479 H GLN 74 H GLN 74 34.506 24.167 -13.341 480 HA GLN 74 HA GLN 74 34.373 24.965 -15.540 481 HB2 GLN 74 HB2 GLN 74 36.575 22.947 -16.071 482 HB3 GLN 74 HB3 GLN 74 36.146 24.320 -17.089 483 HG2 GLN 74 HG2 GLN 74 36.686 25.845 -15.181 484 HG3 GLN 74 HG3 GLN 74 37.226 24.443 -14.258 485 HE21 GLN 74 HE21 GLN 74 38.987 26.631 -15.016 486 HE22 GLN 74 HE22 GLN 74 40.164 25.989 -16.056 487 H ASN 75 H ASN 75 32.598 22.891 -14.711 488 HA ASN 75 HA ASN 75 32.259 21.433 -17.305 489 HB2 ASN 75 HB2 ASN 75 31.395 20.454 -14.568 490 HB3 ASN 75 HB3 ASN 75 31.285 19.568 -16.088 491 HD21 ASN 75 HD21 ASN 75 32.746 18.372 -14.037 492 HD22 ASN 75 HD22 ASN 75 34.398 18.411 -14.420 493 H ASN 76 H ASN 76 30.143 21.375 -18.139 494 HA ASN 76 HA ASN 76 28.331 23.424 -17.009 495 HB2 ASN 76 HB2 ASN 76 28.203 21.832 -19.588 496 HB3 ASN 76 HB3 ASN 76 27.072 23.104 -19.130 497 HD21 ASN 76 HD21 ASN 76 28.736 23.308 -21.477 498 HD22 ASN 76 HD22 ASN 76 29.809 24.600 -21.233 499 H ILE 77 H ILE 77 26.431 22.923 -15.991 500 HA ILE 77 HA ILE 77 25.594 20.050 -15.997 501 HB ILE 77 HB ILE 77 25.374 22.031 -13.709 502 HG12 ILE 77 HG12 ILE 77 27.143 19.585 -13.986 503 HG13 ILE 77 HG13 ILE 77 27.704 21.242 -14.214 504 HG21 ILE 77 HG21 ILE 77 24.016 20.536 -12.699 505 HG22 ILE 77 HG22 ILE 77 25.087 19.195 -13.108 506 HG23 ILE 77 HG23 ILE 77 23.872 19.739 -14.266 507 HD11 ILE 77 HD11 ILE 77 28.142 20.390 -11.907 508 HD12 ILE 77 HD12 ILE 77 26.404 20.197 -11.681 509 HD13 ILE 77 HD13 ILE 77 27.088 21.805 -11.919 510 H HIS 78 H HIS 78 23.469 19.710 -16.540 511 HA HIS 78 HA HIS 78 21.685 22.110 -16.620 512 HB2 HIS 78 HB2 HIS 78 21.728 19.815 -18.602 513 HB3 HIS 78 HB3 HIS 78 20.687 21.237 -18.672 514 HD1 HIS 78 HD1 HIS 78 21.994 23.598 -18.929 515 HD2 HIS 78 HD2 HIS 78 24.222 20.179 -19.780 516 HE1 HIS 78 HE1 HIS 78 24.026 24.373 -20.228 517 H VAL 79 H VAL 79 19.393 21.617 -16.345 518 HA VAL 79 HA VAL 79 18.840 19.809 -14.235 519 HB VAL 79 HB VAL 79 17.304 21.602 -14.621 520 HG11 VAL 79 HG21 VAL 79 17.073 20.438 -17.407 521 HG12 VAL 79 HG22 VAL 79 17.671 22.034 -16.958 522 HG13 VAL 79 HG23 VAL 79 15.960 21.649 -16.774 523 HG21 VAL 79 HG11 VAL 79 15.378 20.431 -14.252 524 HG22 VAL 79 HG12 VAL 79 16.466 19.044 -14.248 525 HG23 VAL 79 HG13 VAL 79 15.572 19.458 -15.710 526 H LYS 80 H LYS 80 19.010 19.304 -17.681 527 HA LYS 80 HA LYS 80 18.138 16.475 -17.239 528 HB2 LYS 80 HB2 LYS 80 16.547 17.823 -18.641 529 HB3 LYS 80 HB3 LYS 80 17.852 18.071 -19.801 530 HG2 LYS 80 HG2 LYS 80 18.069 15.606 -20.048 531 HG3 LYS 80 HG3 LYS 80 16.715 15.393 -18.938 532 HD2 LYS 80 HD2 LYS 80 15.291 16.741 -20.488 533 HD3 LYS 80 HD3 LYS 80 16.642 16.808 -21.620 534 HE2 LYS 80 HE2 LYS 80 16.606 14.172 -21.281 535 HE3 LYS 80 HE3 LYS 80 14.926 14.480 -20.846 536 HZ1 LYS 80 HZ1 LYS 80 14.500 15.443 -22.926 537 HZ2 LYS 80 HZ2 LYS 80 15.391 14.037 -23.266 538 HZ3 LYS 80 HZ3 LYS 80 16.146 15.558 -23.316 539 H ASP 81 H ASP 81 20.358 15.865 -16.858 540 HA ASP 81 HA ASP 81 21.831 15.335 -19.332 541 HB2 ASP 81 HB2 ASP 81 22.474 17.710 -18.571 542 HB3 ASP 81 HB3 ASP 81 23.270 16.927 -17.205 543 H ILE 82 H ILE 82 24.005 14.187 -18.680 544 HA ILE 82 HA ILE 82 23.383 12.428 -16.342 545 HB ILE 82 HB ILE 82 25.099 11.828 -18.771 546 HG12 ILE 82 HG12 ILE 82 22.333 10.807 -18.065 547 HG13 ILE 82 HG13 ILE 82 22.647 12.075 -19.250 548 HG21 ILE 82 HG21 ILE 82 25.842 10.516 -16.907 549 HG22 ILE 82 HG22 ILE 82 24.809 9.461 -17.871 550 HG23 ILE 82 HG23 ILE 82 24.187 10.193 -16.392 551 HD11 ILE 82 HD11 ILE 82 22.776 9.234 -19.611 552 HD12 ILE 82 HD12 ILE 82 24.392 9.901 -19.842 553 HD13 ILE 82 HD13 ILE 82 23.044 10.501 -20.809 554 H VAL 83 H VAL 83 24.757 12.591 -14.638 555 HA VAL 83 HA VAL 83 27.513 13.630 -15.162 556 HB VAL 83 HB VAL 83 27.407 14.812 -13.009 557 HG11 VAL 83 HG21 VAL 83 26.741 16.147 -14.874 558 HG12 VAL 83 HG22 VAL 83 25.524 16.430 -13.629 559 HG13 VAL 83 HG23 VAL 83 25.173 15.347 -14.975 560 HG21 VAL 83 HG11 VAL 83 24.818 14.936 -12.217 561 HG22 VAL 83 HG12 VAL 83 25.976 13.788 -11.545 562 HG23 VAL 83 HG13 VAL 83 24.870 13.281 -12.823 563 H LYS 84 H LYS 84 29.164 12.723 -13.819 564 HA LYS 84 HA LYS 84 28.379 10.113 -12.617 565 HB2 LYS 84 HB2 LYS 84 31.044 11.212 -13.551 566 HB3 LYS 84 HB3 LYS 84 30.873 9.676 -12.702 567 HG2 LYS 84 HG2 LYS 84 29.247 8.953 -14.479 568 HG3 LYS 84 HG3 LYS 84 29.623 10.435 -15.358 569 HD2 LYS 84 HD2 LYS 84 32.036 9.760 -15.356 570 HD3 LYS 84 HD3 LYS 84 31.567 8.230 -14.616 571 HE2 LYS 84 HE2 LYS 84 30.731 7.405 -16.565 572 HE3 LYS 84 HE3 LYS 84 30.014 8.951 -17.020 573 HZ1 LYS 84 HZ1 LYS 84 32.853 9.082 -17.042 574 HZ2 LYS 84 HZ2 LYS 84 31.752 9.422 -18.288 575 HZ3 LYS 84 HZ3 LYS 84 32.303 7.833 -18.049 576 H VAL 85 H VAL 85 28.703 9.714 -10.447 577 HA VAL 85 HA VAL 85 29.462 12.039 -8.778 578 HB VAL 85 HB VAL 85 28.515 9.328 -7.826 579 HG11 VAL 85 HG21 VAL 85 28.891 10.337 -5.841 580 HG12 VAL 85 HG22 VAL 85 27.527 11.387 -6.222 581 HG13 VAL 85 HG23 VAL 85 29.169 11.899 -6.613 582 HG21 VAL 85 HG11 VAL 85 26.291 9.941 -8.142 583 HG22 VAL 85 HG12 VAL 85 27.037 10.633 -9.583 584 HG23 VAL 85 HG13 VAL 85 26.668 11.664 -8.200 585 H ILE 86 H ILE 86 31.499 12.205 -7.982 586 HA ILE 86 HA ILE 86 33.037 9.697 -7.494 587 HB ILE 86 HB ILE 86 34.081 12.175 -8.898 588 HG12 ILE 86 HG12 ILE 86 33.794 9.331 -9.908 589 HG13 ILE 86 HG13 ILE 86 32.649 10.624 -10.267 590 HG21 ILE 86 HG21 ILE 86 35.929 11.412 -7.699 591 HG22 ILE 86 HG22 ILE 86 36.077 10.476 -9.186 592 HG23 ILE 86 HG23 ILE 86 35.389 9.733 -7.740 593 HD11 ILE 86 HD11 ILE 86 35.492 10.304 -11.177 594 HD12 ILE 86 HD12 ILE 86 34.812 11.924 -11.031 595 HD13 ILE 86 HD13 ILE 86 34.067 10.749 -12.115 596 H ASP 87 H ASP 87 31.605 11.850 -5.845 597 HA ASP 87 HA ASP 87 33.921 12.393 -4.041 598 HB2 ASP 87 HB2 ASP 87 33.217 14.456 -5.320 599 HB3 ASP 87 HB3 ASP 87 31.647 14.335 -4.527 600 H GLY 88 H GLY 88 33.434 12.209 -1.827 601 HA2 GLY 88 HA2 GLY 88 32.147 11.691 0.083 602 HA3 GLY 88 HA3 GLY 88 30.693 11.930 -0.885 603 HA PRO 89 HA PRO 89 31.167 7.344 -0.055 604 HB2 PRO 89 HB2 PRO 89 28.582 6.957 0.630 605 HB3 PRO 89 HB3 PRO 89 29.819 7.447 1.790 606 HG2 PRO 89 HG2 PRO 89 27.780 9.119 0.370 607 HG3 PRO 89 HG3 PRO 89 28.282 9.178 2.062 608 HD2 PRO 89 HD3 PRO 89 29.198 10.942 0.228 609 HD3 PRO 89 HD2 PRO 89 30.184 10.406 1.588 610 H HIS 90 H HIS 90 29.155 9.352 -2.041 611 HA HIS 90 HA HIS 90 28.065 7.074 -3.567 612 HB2 HIS 90 HB2 HIS 90 27.861 10.075 -3.985 613 HB3 HIS 90 HB3 HIS 90 27.032 8.867 -4.968 614 HD1 HIS 90 HD1 HIS 90 26.626 10.852 -1.958 615 HD2 HIS 90 HD2 HIS 90 25.249 7.141 -3.265 616 HE1 HIS 90 HE1 HIS 90 24.658 10.257 -0.479 617 H SER 91 H SER 91 30.797 9.139 -3.572 618 HA SER 91 HA SER 91 31.571 9.474 -6.193 619 HB2 SER 91 HB2 SER 91 32.998 10.151 -4.346 620 HB3 SER 91 HB3 SER 91 33.264 8.469 -3.888 621 HG SER 91 HG SER 91 34.179 8.192 -6.019 622 H GLY 92 H GLY 92 32.005 8.149 -7.905 623 HA2 GLY 92 HA2 GLY 92 32.969 6.111 -8.850 624 HA3 GLY 92 HA3 GLY 92 32.547 5.268 -7.358 625 H ARG 93 H ARG 93 29.974 7.227 -8.048 626 HA ARG 93 HA ARG 93 28.637 5.084 -9.655 627 HB2 ARG 93 HB3 ARG 93 27.457 6.798 -7.445 628 HB3 ARG 93 HB2 ARG 93 26.557 5.638 -8.421 629 HG2 ARG 93 HG2 ARG 93 28.065 3.830 -7.619 630 HG3 ARG 93 HG3 ARG 93 28.893 5.003 -6.594 631 HD2 ARG 93 HD2 ARG 93 26.652 5.508 -5.529 632 HD3 ARG 93 HD3 ARG 93 25.997 4.134 -6.418 633 HE ARG 93 HE ARG 93 27.776 2.759 -5.181 634 HH11 ARG 93 HH11 ARG 93 29.140 3.180 -3.227 635 HH12 ARG 93 HH12 ARG 93 28.313 3.947 -1.912 636 HH21 ARG 93 HH21 ARG 93 25.568 4.861 -3.822 637 HH22 ARG 93 HH22 ARG 93 26.290 4.898 -2.249 638 H GLU 94 H GLU 94 27.152 5.804 -11.244 639 HA GLU 94 HA GLU 94 27.333 8.727 -11.856 640 HB2 GLU 94 HB2 GLU 94 28.381 7.259 -13.556 641 HB3 GLU 94 HB3 GLU 94 26.853 6.400 -13.746 642 HG2 GLU 94 HG2 GLU 94 25.775 8.563 -14.395 643 HG3 GLU 94 HG3 GLU 94 27.358 9.336 -14.321 644 H GLY 95 H GLY 95 25.401 9.827 -12.319 645 HA2 GLY 95 HA3 GLY 95 22.883 8.236 -12.209 646 HA3 GLY 95 HA2 GLY 95 23.082 9.610 -11.122 647 H GLU 96 H GLU 96 20.969 9.747 -12.815 648 HA GLU 96 HA GLU 96 21.878 11.478 -15.074 649 HB2 GLU 96 HB2 GLU 96 20.443 9.479 -15.619 650 HB3 GLU 96 HB3 GLU 96 19.151 10.216 -14.670 651 HG2 GLU 96 HG2 GLU 96 19.242 12.220 -16.134 652 HG3 GLU 96 HG3 GLU 96 20.494 11.439 -17.101 653 H ILE 97 H ILE 97 21.193 13.609 -15.145 654 HA ILE 97 HA ILE 97 19.923 14.654 -12.692 655 HB ILE 97 HB ILE 97 21.122 16.035 -15.111 656 HG12 ILE 97 HG12 ILE 97 22.090 15.883 -12.242 657 HG13 ILE 97 HG13 ILE 97 22.681 14.837 -13.535 658 HG21 ILE 97 HG21 ILE 97 19.950 17.842 -14.440 659 HG22 ILE 97 HG22 ILE 97 20.933 17.835 -12.976 660 HG23 ILE 97 HG23 ILE 97 19.375 17.008 -12.995 661 HD11 ILE 97 HD11 ILE 97 23.921 17.117 -12.944 662 HD12 ILE 97 HD12 ILE 97 22.680 17.795 -13.998 663 HD13 ILE 97 HD13 ILE 97 23.785 16.565 -14.613 664 H ARG 98 H ARG 98 17.731 14.764 -12.644 665 HA ARG 98 HA ARG 98 16.276 15.108 -15.225 666 HB2 ARG 98 HB2 ARG 98 15.300 14.180 -12.507 667 HB3 ARG 98 HB3 ARG 98 14.284 14.343 -13.940 668 HG2 ARG 98 HG2 ARG 98 16.731 12.560 -13.731 669 HG3 ARG 98 HG3 ARG 98 15.060 12.005 -13.619 670 HD2 ARG 98 HD3 ARG 98 16.295 13.412 -16.009 671 HD3 ARG 98 HD2 ARG 98 15.945 11.688 -15.903 672 HE ARG 98 HE ARG 98 13.528 13.040 -15.353 673 HH11 ARG 98 HH11 ARG 98 12.592 11.540 -17.235 674 HH12 ARG 98 HH12 ARG 98 12.850 12.265 -18.786 675 HH21 ARG 98 HH21 ARG 98 15.260 14.482 -17.648 676 HH22 ARG 98 HH22 ARG 98 14.359 13.929 -19.020 677 H HIS 99 H HIS 99 16.304 16.315 -11.860 678 HA HIS 99 HA HIS 99 15.164 18.872 -12.917 679 HB2 HIS 99 HB2 HIS 99 14.648 18.067 -10.083 680 HB3 HIS 99 HB3 HIS 99 13.654 19.034 -11.172 681 HD1 HIS 99 HD1 HIS 99 11.923 17.821 -12.587 682 HD2 HIS 99 HD2 HIS 99 14.448 15.200 -10.553 683 HE1 HIS 99 HE1 HIS 99 10.944 15.506 -12.888 684 H LEU 100 H LEU 100 16.204 20.730 -12.211 685 HA LEU 100 HA LEU 100 18.501 20.304 -10.340 686 HB2 LEU 100 HB2 LEU 100 19.118 20.909 -12.697 687 HB3 LEU 100 HB3 LEU 100 18.239 22.425 -12.491 688 HG LEU 100 HG LEU 100 19.712 23.095 -10.680 689 HD11 LEU 100 HD21 LEU 100 21.702 21.571 -10.167 690 HD12 LEU 100 HD22 LEU 100 20.821 20.300 -11.014 691 HD13 LEU 100 HD23 LEU 100 20.138 21.029 -9.560 692 HD21 LEU 100 HD11 LEU 100 21.964 22.338 -12.224 693 HD22 LEU 100 HD12 LEU 100 21.074 23.858 -12.302 694 HD23 LEU 100 HD13 LEU 100 20.621 22.516 -13.354 695 H PHE 101 H PHE 101 18.434 21.461 -8.469 696 HA PHE 101 HA PHE 101 16.757 23.925 -8.383 697 HB2 PHE 101 HB2 PHE 101 15.430 22.026 -7.472 698 HB3 PHE 101 HB3 PHE 101 16.707 21.722 -6.295 699 HD1 PHE 101 HD1 PHE 101 14.036 24.044 -7.337 700 HD2 PHE 101 HD2 PHE 101 17.086 23.234 -4.423 701 HE1 PHE 101 HE1 PHE 101 13.060 25.762 -5.839 702 HE2 PHE 101 HE2 PHE 101 16.110 24.954 -2.925 703 HZ PHE 101 HZ PHE 101 14.098 26.217 -3.633 704 H ARG 102 H ARG 102 18.194 25.500 -7.840 705 HA ARG 102 HA ARG 102 20.042 26.551 -6.830 706 HB2 ARG 102 HB3 ARG 102 19.256 24.744 -4.522 707 HB3 ARG 102 HB2 ARG 102 20.171 26.248 -4.413 708 HG2 ARG 102 HG2 ARG 102 18.136 27.355 -5.547 709 HG3 ARG 102 HG3 ARG 102 17.267 25.873 -5.153 710 HD2 ARG 102 HD2 ARG 102 17.845 26.169 -2.768 711 HD3 ARG 102 HD3 ARG 102 18.711 27.653 -3.165 712 HE ARG 102 HE ARG 102 15.866 27.433 -2.824 713 HH11 ARG 102 HH11 ARG 102 18.326 29.551 -3.519 714 HH12 ARG 102 HH12 ARG 102 17.383 30.634 -4.489 715 HH21 ARG 102 HH21 ARG 102 14.624 28.538 -4.617 716 HH22 ARG 102 HH22 ARG 102 15.287 30.059 -5.111 717 H SER 103 H SER 103 21.592 25.055 -4.647 718 HA SER 103 HA SER 103 23.560 23.887 -6.440 719 HB2 SER 103 HB3 SER 103 24.932 23.661 -4.518 720 HB3 SER 103 HB2 SER 103 23.996 25.126 -4.221 721 HG SER 103 HG SER 103 23.942 23.793 -2.409 722 H PHE 104 H PHE 104 20.689 22.680 -5.390 723 HA PHE 104 HA PHE 104 21.756 19.898 -5.154 724 HB2 PHE 104 HB2 PHE 104 19.105 21.064 -4.245 725 HB3 PHE 104 HB3 PHE 104 19.561 19.366 -4.102 726 HD1 PHE 104 HD1 PHE 104 19.950 22.715 -2.730 727 HD2 PHE 104 HD2 PHE 104 21.511 18.715 -2.667 728 HE1 PHE 104 HE1 PHE 104 21.137 23.211 -0.610 729 HE2 PHE 104 HE2 PHE 104 22.698 19.209 -0.547 730 HZ PHE 104 HZ PHE 104 22.510 21.459 0.482 731 H ALA 105 H ALA 105 21.100 18.396 -6.669 732 HA ALA 105 HA ALA 105 19.048 19.288 -8.654 733 HB1 ALA 105 HB1 ALA 105 21.555 19.269 -9.396 734 HB2 ALA 105 HB2 ALA 105 20.353 18.528 -10.453 735 HB3 ALA 105 HB3 ALA 105 21.361 17.516 -9.418 736 H PHE 106 H PHE 106 17.473 17.780 -9.079 737 HA PHE 106 HA PHE 106 17.402 15.359 -7.458 738 HB2 PHE 106 HB2 PHE 106 15.579 16.560 -9.542 739 HB3 PHE 106 HB3 PHE 106 15.285 14.949 -8.891 740 HD1 PHE 106 HD1 PHE 106 15.100 18.524 -8.261 741 HD2 PHE 106 HD2 PHE 106 14.956 14.648 -6.416 742 HE1 PHE 106 HE1 PHE 106 14.049 19.521 -6.248 743 HE2 PHE 106 HE2 PHE 106 13.906 15.644 -4.403 744 HZ PHE 106 HZ PHE 106 13.452 18.082 -4.319 745 H LEU 107 H LEU 107 18.386 13.494 -8.041 746 HA LEU 107 HA LEU 107 19.048 13.095 -10.919 747 HB2 LEU 107 HB3 LEU 107 20.099 11.688 -8.444 748 HB3 LEU 107 HB2 LEU 107 20.643 11.391 -10.096 749 HG LEU 107 HG LEU 107 20.733 14.209 -9.639 750 HD11 LEU 107 HD11 LEU 107 22.557 12.891 -7.681 751 HD12 LEU 107 HD12 LEU 107 20.875 13.107 -7.198 752 HD13 LEU 107 HD13 LEU 107 21.850 14.507 -7.647 753 HD21 LEU 107 HD21 LEU 107 22.676 11.978 -10.161 754 HD22 LEU 107 HD22 LEU 107 23.287 13.594 -9.806 755 HD23 LEU 107 HD23 LEU 107 22.236 13.336 -11.198 756 H HIS 108 H HIS 108 18.579 11.034 -11.908 757 HA HIS 108 HA HIS 108 16.447 9.485 -10.489 758 HB2 HIS 108 HB2 HIS 108 15.405 10.740 -12.275 759 HB3 HIS 108 HB3 HIS 108 16.649 10.236 -13.419 760 HD1 HIS 108 HD1 HIS 108 15.243 8.827 -14.996 761 HD2 HIS 108 HD2 HIS 108 14.744 7.731 -11.005 762 HE1 HIS 108 HE1 HIS 108 13.884 6.690 -15.004 763 H CYS 109 H CYS 109 16.607 7.240 -10.625 764 HA CYS 109 HA CYS 109 18.853 6.147 -12.263 765 HB2 CYS 109 HB3 CYS 109 18.953 6.382 -9.510 766 HB3 CYS 109 HB2 CYS 109 18.372 4.731 -9.734 767 HG CYS 109 HG CYS 109 21.052 5.794 -10.954 768 H LYS 110 H LYS 110 17.922 4.764 -13.691 769 HA LYS 110 HA LYS 110 15.279 3.683 -13.352 770 HB2 LYS 110 HB2 LYS 110 17.519 2.811 -15.206 771 HB3 LYS 110 HB3 LYS 110 15.833 2.311 -15.344 772 HG2 LYS 110 HG2 LYS 110 15.163 4.682 -15.609 773 HG3 LYS 110 HG3 LYS 110 16.857 5.163 -15.504 774 HD2 LYS 110 HD2 LYS 110 17.342 3.731 -17.494 775 HD3 LYS 110 HD3 LYS 110 15.618 3.384 -17.626 776 HE2 LYS 110 HE3 LYS 110 16.393 6.253 -17.447 777 HE3 LYS 110 HE2 LYS 110 16.786 5.420 -18.951 778 HZ1 LYS 110 HZ1 LYS 110 14.512 6.503 -18.775 779 HZ2 LYS 110 HZ2 LYS 110 14.103 5.230 -17.728 780 HZ3 LYS 110 HZ3 LYS 110 14.561 4.901 -19.331 781 H LYS 111 H LYS 111 18.460 2.568 -12.432 782 HA LYS 111 HA LYS 111 17.967 -0.205 -12.146 783 HB2 LYS 111 HB2 LYS 111 19.674 1.633 -10.440 784 HB3 LYS 111 HB3 LYS 111 19.739 -0.128 -10.384 785 HG2 LYS 111 HG3 LYS 111 20.289 -0.142 -12.822 786 HG3 LYS 111 HG2 LYS 111 20.333 1.622 -12.790 787 HD2 LYS 111 HD2 LYS 111 22.108 1.511 -11.042 788 HD3 LYS 111 HD3 LYS 111 22.102 -0.248 -11.183 789 HE2 LYS 111 HE2 LYS 111 23.882 0.505 -12.589 790 HE3 LYS 111 HE3 LYS 111 22.557 0.097 -13.679 791 HZ1 LYS 111 HZ1 LYS 111 22.097 2.289 -14.094 792 HZ2 LYS 111 HZ2 LYS 111 23.786 2.352 -13.916 793 HZ3 LYS 111 HZ3 LYS 111 22.775 2.836 -12.639 794 H LEU 112 H LEU 112 17.144 2.511 -10.029 795 HA LEU 112 HA LEU 112 15.894 0.618 -8.105 796 HB2 LEU 112 HB3 LEU 112 17.369 2.446 -7.241 797 HB3 LEU 112 HB2 LEU 112 16.235 3.625 -7.899 798 HG LEU 112 HG LEU 112 14.460 2.805 -6.466 799 HD11 LEU 112 HD21 LEU 112 15.449 1.012 -4.691 800 HD12 LEU 112 HD22 LEU 112 16.359 0.547 -6.128 801 HD13 LEU 112 HD23 LEU 112 14.596 0.540 -6.161 802 HD21 LEU 112 HD11 LEU 112 17.099 3.527 -5.292 803 HD22 LEU 112 HD12 LEU 112 15.875 2.923 -4.175 804 HD23 LEU 112 HD13 LEU 112 15.546 4.351 -5.157 805 H VAL 113 H VAL 113 13.715 0.311 -8.137 806 HA VAL 113 HA VAL 113 12.065 2.301 -9.645 807 HB VAL 113 HB VAL 113 11.735 -0.704 -9.408 808 HG11 VAL 113 HG11 VAL 113 9.845 1.469 -10.106 809 HG12 VAL 113 HG12 VAL 113 9.518 -0.163 -9.524 810 HG13 VAL 113 HG13 VAL 113 9.880 0.108 -11.228 811 HG21 VAL 113 HG21 VAL 113 11.947 -0.572 -11.894 812 HG22 VAL 113 HG22 VAL 113 13.399 -0.024 -11.060 813 HG23 VAL 113 HG23 VAL 113 12.278 1.153 -11.745 814 H GLU 114 H GLU 114 12.575 0.649 -6.677 815 HA GLU 114 HA GLU 114 10.038 0.496 -5.517 816 HB2 GLU 114 HB3 GLU 114 12.246 -0.125 -4.438 817 HB3 GLU 114 HB2 GLU 114 12.480 1.588 -4.093 818 HG2 GLU 114 HG2 GLU 114 10.348 1.616 -2.833 819 HG3 GLU 114 HG3 GLU 114 10.140 -0.105 -3.161 820 H ASN 115 H ASN 115 12.122 3.371 -5.825 821 HA ASN 115 HA ASN 115 9.704 5.028 -5.231 822 HB2 ASN 115 HB2 ASN 115 11.098 6.635 -4.082 823 HB3 ASN 115 HB3 ASN 115 11.431 5.049 -3.387 824 HD21 ASN 115 HD21 ASN 115 13.344 7.214 -3.291 825 HD22 ASN 115 HD22 ASN 115 14.673 6.794 -4.259 826 H GLY 116 H GLY 116 10.527 4.180 -7.833 827 HA2 GLY 116 HA2 GLY 116 10.848 5.122 -9.959 828 HA3 GLY 116 HA3 GLY 116 10.586 6.695 -9.205 829 H GLY 117 H GLY 117 13.051 4.916 -7.687 830 HA2 GLY 117 HA2 GLY 117 15.359 5.327 -7.544 831 HA3 GLY 117 HA3 GLY 117 15.310 5.300 -9.307 832 H MET 118 H MET 118 13.928 7.582 -6.920 833 HA MET 118 HA MET 118 15.281 9.772 -8.440 834 HB2 MET 118 HB2 MET 118 12.862 9.881 -6.609 835 HB3 MET 118 HB3 MET 118 13.551 11.254 -7.477 836 HG2 MET 118 HG2 MET 118 12.348 8.757 -8.710 837 HG3 MET 118 HG3 MET 118 11.662 10.381 -8.748 838 HE1 MET 118 HE1 MET 118 12.141 11.936 -11.070 839 HE2 MET 118 HE2 MET 118 13.804 12.479 -10.858 840 HE3 MET 118 HE3 MET 118 12.754 12.311 -9.453 841 H PHE 119 H PHE 119 16.737 11.070 -7.367 842 HA PHE 119 HA PHE 119 16.751 11.295 -4.462 843 HB2 PHE 119 HB2 PHE 119 18.900 10.237 -4.063 844 HB3 PHE 119 HB3 PHE 119 17.838 9.064 -4.840 845 HD1 PHE 119 HD1 PHE 119 20.830 11.145 -5.207 846 HD2 PHE 119 HD2 PHE 119 18.127 8.489 -7.230 847 HE1 PHE 119 HE1 PHE 119 22.467 10.884 -7.052 848 HE2 PHE 119 HE2 PHE 119 19.763 8.229 -9.076 849 HZ PHE 119 HZ PHE 119 21.933 9.426 -8.987 850 H VAL 120 H VAL 120 17.894 13.129 -3.839 851 HA VAL 120 HA VAL 120 18.925 14.799 -6.051 852 HB VAL 120 HB VAL 120 19.149 16.489 -4.083 853 HG11 VAL 120 HG21 VAL 120 17.342 16.353 -5.893 854 HG12 VAL 120 HG22 VAL 120 16.894 17.176 -4.399 855 HG13 VAL 120 HG23 VAL 120 16.355 15.523 -4.690 856 HG21 VAL 120 HG11 VAL 120 18.867 14.527 -2.414 857 HG22 VAL 120 HG12 VAL 120 17.149 14.629 -2.802 858 HG23 VAL 120 HG13 VAL 120 17.976 16.014 -2.090 859 H CYS 121 H CYS 121 20.989 16.026 -5.661 860 HA CYS 121 HA CYS 121 22.911 14.795 -3.804 861 HB2 CYS 121 HB3 CYS 121 22.906 13.342 -5.883 862 HB3 CYS 121 HB2 CYS 121 23.489 14.745 -6.777 863 HG CYS 121 HG CYS 121 25.220 12.964 -5.116 864 H LYS 122 H LYS 122 25.031 16.010 -3.893 865 HA LYS 122 HA LYS 122 24.479 18.867 -4.337 866 HB2 LYS 122 HB2 LYS 122 26.876 17.415 -3.178 867 HB3 LYS 122 HB3 LYS 122 26.731 19.169 -3.280 868 HG2 LYS 122 HG2 LYS 122 24.551 18.939 -1.981 869 HG3 LYS 122 HG3 LYS 122 25.003 17.259 -1.689 870 HD2 LYS 122 HD2 LYS 122 27.148 18.052 -0.690 871 HD3 LYS 122 HD3 LYS 122 26.603 19.715 -0.902 872 HE2 LYS 122 HE2 LYS 122 25.041 19.563 0.785 873 HE3 LYS 122 HE3 LYS 122 24.758 17.843 0.510 874 HZ1 LYS 122 HZ1 LYS 122 26.868 17.340 1.522 875 HZ2 LYS 122 HZ2 LYS 122 25.943 18.281 2.592 876 HZ3 LYS 122 HZ3 LYS 122 27.218 18.988 1.718 877 H THR 123 H THR 123 24.837 19.671 -6.344 878 HA THR 123 HA THR 123 26.093 18.499 -8.506 879 HB THR 123 HB THR 123 26.318 20.677 -9.473 880 HG1 THR 123 HG1 THR 123 26.553 21.453 -6.783 881 HG21 THR 123 HG21 THR 123 23.985 19.832 -8.536 882 HG22 THR 123 HG22 THR 123 24.144 21.438 -9.250 883 HG23 THR 123 HG23 THR 123 24.147 21.247 -7.495 884 H ARG 124 H ARG 124 27.623 19.942 -5.710 885 HA ARG 124 HA ARG 124 30.256 20.264 -6.780 886 HB2 ARG 124 HB2 ARG 124 29.509 21.184 -4.584 887 HB3 ARG 124 HB3 ARG 124 29.481 19.544 -3.936 888 HG2 ARG 124 HG2 ARG 124 31.897 19.314 -4.504 889 HG3 ARG 124 HG3 ARG 124 31.904 20.991 -5.052 890 HD2 ARG 124 HD3 ARG 124 31.160 21.697 -2.778 891 HD3 ARG 124 HD2 ARG 124 31.273 20.018 -2.248 892 HE ARG 124 HE ARG 124 33.648 21.545 -3.244 893 HH11 ARG 124 HH11 ARG 124 35.417 20.009 -2.729 894 HH12 ARG 124 HH12 ARG 124 35.377 19.333 -1.135 895 HH21 ARG 124 HH21 ARG 124 32.138 20.386 -0.485 896 HH22 ARG 124 HH22 ARG 124 33.520 19.547 0.136 897 H HIS 125 H HIS 125 28.557 17.466 -5.451 898 HA HIS 125 HA HIS 125 30.990 15.804 -5.650 899 HB2 HIS 125 HB2 HIS 125 28.145 15.117 -4.852 900 HB3 HIS 125 HB3 HIS 125 29.505 13.998 -4.791 901 HD1 HIS 125 HD1 HIS 125 28.126 14.651 -2.159 902 HD2 HIS 125 HD2 HIS 125 31.330 16.875 -3.631 903 HE1 HIS 125 HE1 HIS 125 29.170 15.811 -0.164 904 H LEU 126 H LEU 126 28.557 16.847 -7.721 905 HA LEU 126 HA LEU 126 28.449 14.357 -9.304 906 HB2 LEU 126 HB2 LEU 126 27.264 17.092 -9.877 907 HB3 LEU 126 HB3 LEU 126 26.900 15.599 -10.744 908 HG LEU 126 HG LEU 126 26.339 16.169 -7.817 909 HD11 LEU 126 HD11 LEU 126 24.024 15.354 -9.162 910 HD12 LEU 126 HD12 LEU 126 24.822 16.453 -10.287 911 HD13 LEU 126 HD13 LEU 126 24.416 16.998 -8.659 912 HD21 LEU 126 HD21 LEU 126 26.994 13.842 -8.080 913 HD22 LEU 126 HD22 LEU 126 25.943 13.668 -9.485 914 HD23 LEU 126 HD23 LEU 126 25.243 13.913 -7.885 915 H VAL 127 H VAL 127 29.379 14.158 -11.383 916 HA VAL 127 HA VAL 127 31.244 16.358 -12.174 917 HB VAL 127 HB VAL 127 31.786 13.378 -12.361 918 HG11 VAL 127 HG21 VAL 127 32.841 14.695 -14.152 919 HG12 VAL 127 HG22 VAL 127 34.058 14.129 -13.008 920 HG13 VAL 127 HG23 VAL 127 33.510 15.804 -12.955 921 HG21 VAL 127 HG11 VAL 127 32.173 13.717 -10.122 922 HG22 VAL 127 HG12 VAL 127 32.405 15.455 -10.319 923 HG23 VAL 127 HG13 VAL 127 33.706 14.338 -10.732 924 H LEU 128 H LEU 128 31.763 16.317 -14.525 925 HA LEU 128 HA LEU 128 29.361 15.583 -16.075 926 HB2 LEU 128 HB2 LEU 128 30.473 17.815 -16.351 927 HB3 LEU 128 HB3 LEU 128 31.884 16.984 -17.005 928 HG LEU 128 HG LEU 128 30.315 15.929 -18.713 929 HD11 LEU 128 HD11 LEU 128 28.475 17.932 -17.405 930 HD12 LEU 128 HD12 LEU 128 28.170 16.231 -17.757 931 HD13 LEU 128 HD13 LEU 128 28.224 17.408 -19.069 932 HD21 LEU 128 HD21 LEU 128 30.742 17.652 -20.183 933 HD22 LEU 128 HD22 LEU 128 31.764 18.183 -18.848 934 HD23 LEU 128 HD23 LEU 128 30.163 18.888 -19.066 935 H ALA 129 H ALA 129 29.262 13.749 -17.278 936 HA ALA 129 HA ALA 129 31.391 11.832 -17.302 937 HB1 ALA 129 HB1 ALA 129 29.760 11.182 -19.461 938 HB2 ALA 129 HB2 ALA 129 28.678 12.046 -18.368 939 HB3 ALA 129 HB3 ALA 129 29.549 10.622 -17.803 940 H GLY 130 H GLY 130 30.342 14.276 -19.648 941 HA2 GLY 130 HA2 GLY 130 31.935 15.339 -21.146 942 HA3 GLY 130 HA3 GLY 130 32.937 13.890 -21.054 Start of MODEL 6 1 H GLN 16 H GLN 16 -3.064 15.992 -15.473 2 HA GLN 16 HA GLN 16 -3.038 18.135 -14.288 3 HB2 GLN 16 HB3 GLN 16 -4.251 16.447 -12.077 4 HB3 GLN 16 HB2 GLN 16 -3.799 18.143 -11.900 5 HG2 GLN 16 HG3 GLN 16 -5.354 18.757 -13.708 6 HG3 GLN 16 HG2 GLN 16 -5.790 17.060 -13.919 7 HE21 GLN 16 HE21 GLN 16 -7.794 18.951 -13.230 8 HE22 GLN 16 HE22 GLN 16 -8.318 18.638 -11.646 9 H HIS 17 H HIS 17 -1.904 14.987 -13.398 10 HA HIS 17 HA HIS 17 0.507 16.259 -12.161 11 HB2 HIS 17 HB2 HIS 17 -0.318 13.447 -11.502 12 HB3 HIS 17 HB3 HIS 17 0.627 14.585 -10.541 13 HD1 HIS 17 HD1 HIS 17 -2.922 13.789 -11.545 14 HD2 HIS 17 HD2 HIS 17 -0.902 16.347 -8.946 15 HE1 HIS 17 HE1 HIS 17 -4.683 14.831 -10.054 16 H GLU 18 H GLU 18 2.392 14.513 -12.237 17 HA GLU 18 HA GLU 18 2.354 12.709 -14.518 18 HB2 GLU 18 HB2 GLU 18 2.571 14.946 -15.631 19 HB3 GLU 18 HB3 GLU 18 4.067 15.202 -14.734 20 HG2 GLU 18 HG2 GLU 18 4.990 13.118 -15.744 21 HG3 GLU 18 HG3 GLU 18 3.516 12.957 -16.699 22 H TRP 19 H TRP 19 4.277 11.413 -14.581 23 HA TRP 19 HA TRP 19 5.615 11.154 -12.030 24 HB2 TRP 19 HB2 TRP 19 5.134 9.278 -13.683 25 HB3 TRP 19 HB3 TRP 19 6.465 9.906 -14.654 26 HD1 TRP 19 HD1 TRP 19 5.712 8.155 -11.359 27 HE1 TRP 19 HE1 TRP 19 7.912 7.239 -10.375 28 HE3 TRP 19 HE3 TRP 19 9.064 10.257 -14.588 29 HZ2 TRP 19 HZ2 TRP 19 10.722 7.379 -10.890 30 HZ3 TRP 19 HZ3 TRP 19 11.493 9.850 -14.319 31 HH2 TRP 19 HH2 TRP 19 12.326 8.415 -12.476 32 H GLY 20 H GLY 20 7.547 12.034 -11.390 33 HA2 GLY 20 HA3 GLY 20 9.763 12.907 -11.720 34 HA3 GLY 20 HA2 GLY 20 9.399 13.112 -13.434 35 H GLU 21 H GLU 21 6.820 14.221 -11.585 36 HA GLU 21 HA GLU 21 7.228 16.956 -12.362 37 HB2 GLU 21 HB3 GLU 21 4.992 15.929 -11.920 38 HB3 GLU 21 HB2 GLU 21 5.391 15.878 -10.203 39 HG2 GLU 21 HG2 GLU 21 5.685 18.335 -10.207 40 HG3 GLU 21 HG3 GLU 21 5.261 18.378 -11.919 41 H LEU 22 H LEU 22 8.596 18.386 -11.435 42 HA LEU 22 HA LEU 22 9.780 17.811 -8.804 43 HB2 LEU 22 HB2 LEU 22 10.955 18.842 -10.898 44 HB3 LEU 22 HB3 LEU 22 10.204 20.349 -10.378 45 HG LEU 22 HG LEU 22 12.480 20.118 -9.443 46 HD11 LEU 22 HD11 LEU 22 11.882 20.974 -7.398 47 HD12 LEU 22 HD12 LEU 22 10.762 19.656 -7.057 48 HD13 LEU 22 HD13 LEU 22 10.281 20.966 -8.135 49 HD21 LEU 22 HD21 LEU 22 11.412 17.744 -7.902 50 HD22 LEU 22 HD22 LEU 22 13.076 18.321 -7.987 51 HD23 LEU 22 HD23 LEU 22 12.330 17.568 -9.396 52 H VAL 23 H VAL 23 9.120 18.771 -6.904 53 HA VAL 23 HA VAL 23 7.333 21.151 -7.095 54 HB VAL 23 HB VAL 23 5.846 20.195 -5.395 55 HG11 VAL 23 HG21 VAL 23 5.445 17.921 -6.920 56 HG12 VAL 23 HG22 VAL 23 6.305 18.987 -8.030 57 HG13 VAL 23 HG23 VAL 23 4.797 19.520 -7.286 58 HG21 VAL 23 HG11 VAL 23 6.431 17.502 -5.281 59 HG22 VAL 23 HG12 VAL 23 6.828 18.675 -4.026 60 HG23 VAL 23 HG13 VAL 23 8.033 18.238 -5.236 61 H GLN 24 H GLN 24 7.209 22.341 -5.011 62 HA GLN 24 HA GLN 24 9.728 21.991 -3.437 63 HB2 GLN 24 HB3 GLN 24 9.702 24.115 -4.621 64 HB3 GLN 24 HB2 GLN 24 8.086 24.476 -4.012 65 HG2 GLN 24 HG3 GLN 24 8.908 24.609 -1.737 66 HG3 GLN 24 HG2 GLN 24 10.503 24.043 -2.233 67 HE21 GLN 24 HE21 GLN 24 11.031 26.276 -1.118 68 HE22 GLN 24 HE22 GLN 24 11.036 27.635 -2.136 69 H LEU 25 H LEU 25 9.232 20.993 -1.536 70 HA LEU 25 HA LEU 25 6.578 21.129 -0.366 71 HB2 LEU 25 HB2 LEU 25 9.172 20.131 0.849 72 HB3 LEU 25 HB3 LEU 25 7.548 19.801 1.454 73 HG LEU 25 HG LEU 25 8.657 18.967 -1.244 74 HD11 LEU 25 HD11 LEU 25 8.502 17.707 1.397 75 HD12 LEU 25 HD12 LEU 25 9.442 17.234 -0.018 76 HD13 LEU 25 HD13 LEU 25 7.757 16.735 0.129 77 HD21 LEU 25 HD21 LEU 25 6.417 17.658 -1.235 78 HD22 LEU 25 HD22 LEU 25 6.361 19.379 -1.617 79 HD23 LEU 25 HD23 LEU 25 5.909 18.818 -0.007 80 H ASP 26 H ASP 26 9.695 22.699 0.283 81 HA ASP 26 HA ASP 26 8.229 24.659 1.975 82 HB2 ASP 26 HB2 ASP 26 10.173 22.723 2.910 83 HB3 ASP 26 HB3 ASP 26 10.759 24.366 3.173 84 HA PRO 27 HA PRO 27 10.739 27.776 0.065 85 HB2 PRO 27 HB2 PRO 27 11.829 29.202 2.087 86 HB3 PRO 27 HB3 PRO 27 10.116 29.289 1.665 87 HG2 PRO 27 HG2 PRO 27 11.456 27.716 3.836 88 HG3 PRO 27 HG3 PRO 27 9.974 28.674 3.913 89 HD2 PRO 27 HD3 PRO 27 9.914 25.991 3.677 90 HD3 PRO 27 HD2 PRO 27 8.698 27.015 2.915 91 H GLN 28 H GLN 28 12.222 25.360 1.884 92 HA GLN 28 HA GLN 28 14.841 26.008 0.638 93 HB2 GLN 28 HB3 GLN 28 14.418 25.343 3.567 94 HB3 GLN 28 HB2 GLN 28 15.992 25.377 2.773 95 HG2 GLN 28 HG2 GLN 28 15.628 27.747 2.166 96 HG3 GLN 28 HG3 GLN 28 14.062 27.711 2.977 97 HE21 GLN 28 HE21 GLN 28 16.120 29.502 3.838 98 HE22 GLN 28 HE22 GLN 28 16.670 29.010 5.366 99 H THR 29 H THR 29 12.435 23.915 0.717 100 HA THR 29 HA THR 29 14.261 21.570 0.441 101 HB THR 29 HB THR 29 11.531 21.561 1.768 102 HG1 THR 29 HG1 THR 29 12.659 21.941 3.476 103 HG21 THR 29 HG21 THR 29 12.847 19.167 2.287 104 HG22 THR 29 HG22 THR 29 13.197 19.477 0.586 105 HG23 THR 29 HG23 THR 29 11.525 19.395 1.141 106 H VAL 30 H VAL 30 13.892 20.400 -1.413 107 HA VAL 30 HA VAL 30 11.385 21.011 -2.926 108 HB VAL 30 HB VAL 30 12.755 20.733 -5.015 109 HG11 VAL 30 HG21 VAL 30 13.635 22.962 -4.964 110 HG12 VAL 30 HG22 VAL 30 13.844 22.907 -3.214 111 HG13 VAL 30 HG23 VAL 30 12.223 22.963 -3.907 112 HG21 VAL 30 HG11 VAL 30 14.786 19.783 -4.756 113 HG22 VAL 30 HG12 VAL 30 14.760 20.048 -3.014 114 HG23 VAL 30 HG13 VAL 30 15.324 21.325 -4.089 115 H GLY 31 H GLY 31 10.737 19.249 -4.417 116 HA2 GLY 31 HA3 GLY 31 11.972 16.613 -3.986 117 HA3 GLY 31 HA2 GLY 31 10.336 16.788 -3.351 118 H VAL 32 H VAL 32 10.564 14.924 -5.265 119 HA VAL 32 HA VAL 32 9.215 16.207 -7.584 120 HB VAL 32 HB VAL 32 11.388 15.961 -8.487 121 HG11 VAL 32 HG21 VAL 32 11.510 13.191 -7.264 122 HG12 VAL 32 HG22 VAL 32 12.241 14.627 -6.546 123 HG13 VAL 32 HG23 VAL 32 12.811 14.034 -8.106 124 HG21 VAL 32 HG11 VAL 32 11.211 14.057 -10.071 125 HG22 VAL 32 HG12 VAL 32 9.694 14.949 -9.946 126 HG23 VAL 32 HG13 VAL 32 9.880 13.404 -9.116 127 H ILE 33 H ILE 33 7.384 15.105 -8.099 128 HA ILE 33 HA ILE 33 6.398 12.956 -6.560 129 HB ILE 33 HB ILE 33 5.676 13.687 -9.414 130 HG12 ILE 33 HG12 ILE 33 4.472 14.568 -6.772 131 HG13 ILE 33 HG13 ILE 33 5.497 15.568 -7.802 132 HG21 ILE 33 HG21 ILE 33 4.146 12.039 -9.314 133 HG22 ILE 33 HG22 ILE 33 3.520 12.674 -7.794 134 HG23 ILE 33 HG23 ILE 33 4.853 11.519 -7.784 135 HD11 ILE 33 HD11 ILE 33 3.314 16.196 -8.437 136 HD12 ILE 33 HD12 ILE 33 2.714 14.540 -8.346 137 HD13 ILE 33 HD13 ILE 33 3.774 15.024 -9.670 138 H VAL 34 H VAL 34 6.779 10.793 -6.604 139 HA VAL 34 HA VAL 34 8.237 9.691 -8.974 140 HB VAL 34 HB VAL 34 8.938 7.929 -7.098 141 HG11 VAL 34 HG21 VAL 34 10.590 10.255 -6.659 142 HG12 VAL 34 HG22 VAL 34 10.127 10.165 -8.358 143 HG13 VAL 34 HG23 VAL 34 10.952 8.806 -7.596 144 HG21 VAL 34 HG11 VAL 34 8.774 10.477 -5.483 145 HG22 VAL 34 HG12 VAL 34 9.136 8.846 -4.917 146 HG23 VAL 34 HG13 VAL 34 7.498 9.260 -5.425 147 H ARG 35 H ARG 35 5.875 9.033 -6.403 148 HA ARG 35 HA ARG 35 4.715 6.920 -8.174 149 HB2 ARG 35 HB2 ARG 35 4.986 6.918 -5.153 150 HB3 ARG 35 HB3 ARG 35 3.975 5.782 -6.045 151 HG2 ARG 35 HG2 ARG 35 6.040 5.160 -7.383 152 HG3 ARG 35 HG3 ARG 35 6.979 6.113 -6.235 153 HD2 ARG 35 HD2 ARG 35 6.050 4.714 -4.382 154 HD3 ARG 35 HD3 ARG 35 5.238 3.716 -5.588 155 HE ARG 35 HE ARG 35 8.214 4.007 -5.557 156 HH11 ARG 35 HH11 ARG 35 7.908 1.787 -3.960 157 HH12 ARG 35 HH12 ARG 35 7.558 0.454 -5.008 158 HH21 ARG 35 HH21 ARG 35 6.632 2.456 -7.683 159 HH22 ARG 35 HH22 ARG 35 6.836 0.832 -7.116 160 H LEU 36 H LEU 36 2.924 7.940 -8.981 161 HA LEU 36 HA LEU 36 1.415 9.855 -7.355 162 HB2 LEU 36 HB2 LEU 36 0.748 8.698 -10.077 163 HB3 LEU 36 HB3 LEU 36 0.028 10.128 -9.341 164 HG LEU 36 HG LEU 36 2.582 10.883 -9.176 165 HD11 LEU 36 HD11 LEU 36 3.480 10.093 -11.565 166 HD12 LEU 36 HD12 LEU 36 2.497 8.677 -11.192 167 HD13 LEU 36 HD13 LEU 36 3.802 9.153 -10.107 168 HD21 LEU 36 HD21 LEU 36 2.264 11.930 -11.476 169 HD22 LEU 36 HD22 LEU 36 0.945 12.201 -10.336 170 HD23 LEU 36 HD23 LEU 36 0.779 10.990 -11.606 171 H GLU 37 H GLU 37 -0.389 9.393 -6.178 172 HA GLU 37 HA GLU 37 -1.698 6.739 -6.617 173 HB2 GLU 37 HB2 GLU 37 -1.185 8.111 -3.958 174 HB3 GLU 37 HB3 GLU 37 -2.064 6.599 -4.177 175 HG2 GLU 37 HG2 GLU 37 -0.023 5.602 -5.207 176 HG3 GLU 37 HG3 GLU 37 0.847 7.100 -4.871 177 H ARG 38 H ARG 38 -4.001 6.733 -5.867 178 HA ARG 38 HA ARG 38 -5.340 9.168 -6.740 179 HB2 ARG 38 HB2 ARG 38 -6.388 6.569 -5.585 180 HB3 ARG 38 HB3 ARG 38 -7.423 7.875 -6.161 181 HG2 ARG 38 HG3 ARG 38 -6.253 7.727 -8.385 182 HG3 ARG 38 HG2 ARG 38 -5.406 6.299 -7.786 183 HD2 ARG 38 HD2 ARG 38 -8.392 6.642 -8.163 184 HD3 ARG 38 HD3 ARG 38 -7.330 5.517 -9.008 185 HE ARG 38 HE ARG 38 -7.962 5.294 -6.090 186 HH11 ARG 38 HH11 ARG 38 -5.978 3.948 -8.375 187 HH12 ARG 38 HH12 ARG 38 -6.576 2.328 -8.226 188 HH21 ARG 38 HH21 ARG 38 -9.270 3.223 -6.235 189 HH22 ARG 38 HH22 ARG 38 -8.440 1.919 -7.015 190 H GLU 39 H GLU 39 -4.672 7.618 -3.639 191 HA GLU 39 HA GLU 39 -6.410 9.430 -2.149 192 HB2 GLU 39 HB2 GLU 39 -4.258 7.477 -1.292 193 HB3 GLU 39 HB3 GLU 39 -5.223 8.423 -0.157 194 HG2 GLU 39 HG2 GLU 39 -7.290 7.451 -1.178 195 HG3 GLU 39 HG3 GLU 39 -6.269 6.429 -2.191 196 H THR 40 H THR 40 -3.046 9.374 -3.145 197 HA THR 40 HA THR 40 -2.739 12.177 -2.460 198 HB THR 40 HB THR 40 -0.596 11.307 -0.996 199 HG1 THR 40 HG1 THR 40 -1.574 9.164 -1.141 200 HG21 THR 40 HG21 THR 40 -3.310 11.740 0.251 201 HG22 THR 40 HG22 THR 40 -2.424 13.055 -0.522 202 HG23 THR 40 HG23 THR 40 -1.732 12.224 0.872 203 H PHE 41 H PHE 41 -0.225 12.720 -2.732 204 HA PHE 41 HA PHE 41 0.719 11.118 -5.076 205 HB2 PHE 41 HB2 PHE 41 1.123 14.060 -4.457 206 HB3 PHE 41 HB3 PHE 41 1.822 13.213 -5.838 207 HD1 PHE 41 HD1 PHE 41 0.276 12.138 -7.535 208 HD2 PHE 41 HD2 PHE 41 -1.133 14.815 -4.484 209 HE1 PHE 41 HE1 PHE 41 -1.827 12.481 -8.805 210 HE2 PHE 41 HE2 PHE 41 -3.235 15.156 -5.755 211 HZ PHE 41 HZ PHE 41 -3.582 13.990 -7.915 212 H GLN 42 H GLN 42 2.791 10.312 -4.983 213 HA GLN 42 HA GLN 42 4.306 10.842 -2.475 214 HB2 GLN 42 HB2 GLN 42 3.766 8.476 -3.056 215 HB3 GLN 42 HB3 GLN 42 4.697 8.657 -4.542 216 HG2 GLN 42 HG3 GLN 42 6.688 9.283 -3.139 217 HG3 GLN 42 HG2 GLN 42 5.739 8.893 -1.705 218 HE21 GLN 42 HE21 GLN 42 5.612 6.692 -1.107 219 HE22 GLN 42 HE22 GLN 42 6.231 5.417 -2.041 220 H VAL 43 H VAL 43 6.214 11.954 -2.555 221 HA VAL 43 HA VAL 43 7.573 12.227 -5.189 222 HB VAL 43 HB VAL 43 7.656 14.561 -5.117 223 HG11 VAL 43 HG21 VAL 43 5.086 14.426 -3.620 224 HG12 VAL 43 HG22 VAL 43 5.222 13.415 -5.059 225 HG13 VAL 43 HG23 VAL 43 5.439 15.161 -5.184 226 HG21 VAL 43 HG11 VAL 43 8.546 14.828 -2.877 227 HG22 VAL 43 HG12 VAL 43 7.009 14.338 -2.163 228 HG23 VAL 43 HG13 VAL 43 7.128 15.866 -3.038 229 H LEU 44 H LEU 44 9.858 12.816 -4.964 230 HA LEU 44 HA LEU 44 11.037 11.600 -2.565 231 HB2 LEU 44 HB2 LEU 44 11.946 11.166 -4.850 232 HB3 LEU 44 HB3 LEU 44 12.398 12.867 -4.961 233 HG LEU 44 HG LEU 44 13.568 12.319 -2.622 234 HD11 LEU 44 HD11 LEU 44 14.403 9.789 -3.760 235 HD12 LEU 44 HD12 LEU 44 12.666 9.783 -3.453 236 HD13 LEU 44 HD13 LEU 44 13.791 10.128 -2.141 237 HD21 LEU 44 HD21 LEU 44 14.921 13.179 -4.331 238 HD22 LEU 44 HD22 LEU 44 14.517 11.871 -5.441 239 HD23 LEU 44 HD23 LEU 44 15.608 11.573 -4.089 240 H ASN 45 H ASN 45 11.979 12.727 -0.896 241 HA ASN 45 HA ASN 45 11.685 15.663 -0.924 242 HB2 ASN 45 HB2 ASN 45 11.056 14.167 1.055 243 HB3 ASN 45 HB3 ASN 45 12.788 13.968 1.325 244 HD21 ASN 45 HD21 ASN 45 11.999 15.157 3.454 245 HD22 ASN 45 HD22 ASN 45 12.092 16.851 3.421 246 H MET 46 H MET 46 13.391 17.096 -0.937 247 HA MET 46 HA MET 46 15.788 16.582 -2.205 248 HB2 MET 46 HB2 MET 46 15.011 18.849 -1.603 249 HB3 MET 46 HB3 MET 46 15.396 18.527 0.088 250 HG2 MET 46 HG2 MET 46 17.766 18.161 -0.532 251 HG3 MET 46 HG3 MET 46 17.373 18.518 -2.214 252 HE1 MET 46 HE1 MET 46 16.169 20.151 1.233 253 HE2 MET 46 HE2 MET 46 17.449 21.354 1.378 254 HE3 MET 46 HE3 MET 46 17.861 19.642 1.316 255 H TYR 47 H TYR 47 14.977 15.781 1.100 256 HA TYR 47 HA TYR 47 17.723 15.359 1.960 257 HB2 TYR 47 HB2 TYR 47 15.105 14.347 3.111 258 HB3 TYR 47 HB3 TYR 47 16.672 14.224 3.907 259 HD1 TYR 47 HD1 TYR 47 17.015 17.163 2.193 260 HD2 TYR 47 HD2 TYR 47 14.756 15.558 5.477 261 HE1 TYR 47 HE1 TYR 47 16.727 19.448 3.113 262 HE2 TYR 47 HE2 TYR 47 14.469 17.842 6.395 263 HH TYR 47 HH TYR 47 16.273 20.503 5.303 264 H GLY 48 H GLY 48 15.986 13.771 -0.322 265 HA2 GLY 48 HA2 GLY 48 16.515 11.740 -1.414 266 HA3 GLY 48 HA3 GLY 48 17.681 11.398 -0.134 267 H LYS 49 H LYS 49 14.231 12.171 0.222 268 HA LYS 49 HA LYS 49 13.816 9.389 1.248 269 HB2 LYS 49 HB3 LYS 49 12.890 11.998 2.479 270 HB3 LYS 49 HB2 LYS 49 12.269 10.418 2.961 271 HG2 LYS 49 HG2 LYS 49 14.644 9.713 3.425 272 HG3 LYS 49 HG3 LYS 49 15.139 11.379 3.129 273 HD2 LYS 49 HD2 LYS 49 13.525 12.105 4.918 274 HD3 LYS 49 HD3 LYS 49 13.235 10.403 5.278 275 HE2 LYS 49 HE2 LYS 49 15.940 10.425 5.338 276 HE3 LYS 49 HE3 LYS 49 15.619 12.081 5.850 277 HZ1 LYS 49 HZ1 LYS 49 15.289 11.208 7.854 278 HZ2 LYS 49 HZ2 LYS 49 15.195 9.620 7.257 279 HZ3 LYS 49 HZ3 LYS 49 13.818 10.615 7.255 280 H VAL 50 H VAL 50 11.369 8.920 1.396 281 HA VAL 50 HA VAL 50 9.974 10.227 -0.906 282 HB VAL 50 HB VAL 50 9.733 7.327 -0.050 283 HG11 VAL 50 HG11 VAL 50 8.648 7.182 -2.345 284 HG12 VAL 50 HG12 VAL 50 8.640 8.945 -2.364 285 HG13 VAL 50 HG13 VAL 50 7.724 8.072 -1.135 286 HG21 VAL 50 HG21 VAL 50 11.210 6.737 -1.775 287 HG22 VAL 50 HG22 VAL 50 11.971 8.180 -1.102 288 HG23 VAL 50 HG23 VAL 50 11.029 8.290 -2.590 289 H VAL 51 H VAL 51 8.167 11.267 -0.231 290 HA VAL 51 HA VAL 51 6.617 10.082 2.025 291 HB VAL 51 HB VAL 51 7.243 13.032 1.696 292 HG11 VAL 51 HG11 VAL 51 5.547 11.421 3.589 293 HG12 VAL 51 HG12 VAL 51 5.151 12.923 2.755 294 HG13 VAL 51 HG13 VAL 51 6.266 12.941 4.121 295 HG21 VAL 51 HG21 VAL 51 8.140 11.888 4.169 296 HG22 VAL 51 HG22 VAL 51 9.101 12.661 2.908 297 HG23 VAL 51 HG23 VAL 51 8.784 10.927 2.838 298 H THR 52 H THR 52 4.398 10.175 1.722 299 HA THR 52 HA THR 52 3.496 11.353 -0.864 300 HB THR 52 HB THR 52 2.015 9.388 0.905 301 HG1 THR 52 HG1 THR 52 2.787 7.860 -0.651 302 HG21 THR 52 HG21 THR 52 1.331 10.886 -1.436 303 HG22 THR 52 HG22 THR 52 0.352 9.701 -0.571 304 HG23 THR 52 HG23 THR 52 1.420 9.179 -1.873 305 H VAL 53 H VAL 53 2.086 13.054 -0.853 306 HA VAL 53 HA VAL 53 0.553 13.637 1.622 307 HB VAL 53 HB VAL 53 1.258 16.002 1.576 308 HG11 VAL 53 HG11 VAL 53 2.510 14.568 3.052 309 HG12 VAL 53 HG12 VAL 53 3.674 15.611 2.235 310 HG13 VAL 53 HG13 VAL 53 3.471 13.939 1.714 311 HG21 VAL 53 HG21 VAL 53 3.330 15.170 -0.464 312 HG22 VAL 53 HG22 VAL 53 2.938 16.801 0.079 313 HG23 VAL 53 HG23 VAL 53 1.796 15.908 -0.925 314 H ARG 54 H ARG 54 -1.097 15.405 1.169 315 HA ARG 54 HA ARG 54 -2.541 14.792 -1.240 316 HB2 ARG 54 HB2 ARG 54 -2.857 17.122 0.679 317 HB3 ARG 54 HB3 ARG 54 -4.033 16.645 -0.546 318 HG2 ARG 54 HG2 ARG 54 -4.212 14.411 0.528 319 HG3 ARG 54 HG3 ARG 54 -3.090 14.941 1.781 320 HD2 ARG 54 HD2 ARG 54 -5.773 16.217 1.160 321 HD3 ARG 54 HD3 ARG 54 -5.430 15.170 2.537 322 HE ARG 54 HE ARG 54 -4.006 17.773 2.172 323 HH11 ARG 54 HH11 ARG 54 -3.075 16.216 4.444 324 HH12 ARG 54 HH12 ARG 54 -4.094 16.737 5.746 325 HH21 ARG 54 HH21 ARG 54 -6.493 18.127 3.663 326 HH22 ARG 54 HH22 ARG 54 -6.029 17.818 5.303 327 H HIS 55 H HIS 55 -3.028 16.310 -2.998 328 HA HIS 55 HA HIS 55 -0.764 17.465 -4.208 329 HB2 HIS 55 HB2 HIS 55 -2.921 16.958 -5.373 330 HB3 HIS 55 HB3 HIS 55 -3.636 18.363 -4.584 331 HD1 HIS 55 HD1 HIS 55 -3.009 20.679 -5.476 332 HD2 HIS 55 HD2 HIS 55 -0.893 17.603 -7.328 333 HE1 HIS 55 HE1 HIS 55 -1.807 21.722 -7.447 334 H GLN 56 H GLN 56 -3.191 18.961 -2.089 335 HA GLN 56 HA GLN 56 -2.221 21.646 -2.341 336 HB2 GLN 56 HB2 GLN 56 -3.659 20.296 -0.037 337 HB3 GLN 56 HB3 GLN 56 -3.429 22.036 -0.200 338 HG2 GLN 56 HG2 GLN 56 -4.681 22.021 -2.314 339 HG3 GLN 56 HG3 GLN 56 -4.876 20.272 -2.200 340 HE21 GLN 56 HE21 GLN 56 -7.154 22.006 -2.279 341 HE22 GLN 56 HE22 GLN 56 -7.932 21.944 -0.772 342 H ALA 57 H ALA 57 -1.112 18.889 -0.504 343 HA ALA 57 HA ALA 57 0.510 20.405 1.366 344 HB1 ALA 57 HB1 ALA 57 1.273 18.327 2.141 345 HB2 ALA 57 HB2 ALA 57 1.111 17.569 0.557 346 HB3 ALA 57 HB3 ALA 57 -0.326 17.928 1.513 347 H VAL 58 H VAL 58 0.820 19.607 -1.940 348 HA VAL 58 HA VAL 58 3.749 20.217 -1.823 349 HB VAL 58 HB VAL 58 4.055 18.893 -3.803 350 HG11 VAL 58 HG21 VAL 58 3.165 16.681 -3.079 351 HG12 VAL 58 HG22 VAL 58 2.133 17.505 -1.910 352 HG13 VAL 58 HG23 VAL 58 3.887 17.580 -1.744 353 HG21 VAL 58 HG11 VAL 58 2.207 17.934 -5.058 354 HG22 VAL 58 HG12 VAL 58 1.940 19.671 -4.905 355 HG23 VAL 58 HG13 VAL 58 1.044 18.547 -3.883 356 H THR 59 H THR 59 4.485 21.275 -3.981 357 HA THR 59 HA THR 59 2.368 23.111 -5.011 358 HB THR 59 HB THR 59 3.817 25.012 -4.805 359 HG1 THR 59 HG1 THR 59 5.918 24.828 -4.510 360 HG21 THR 59 HG21 THR 59 3.464 25.251 -2.589 361 HG22 THR 59 HG22 THR 59 4.577 23.940 -2.197 362 HG23 THR 59 HG23 THR 59 2.899 23.581 -2.606 363 H ARG 60 H ARG 60 2.958 24.059 -7.135 364 HA ARG 60 HA ARG 60 4.441 22.082 -8.757 365 HB2 ARG 60 HB2 ARG 60 2.204 22.941 -9.489 366 HB3 ARG 60 HB3 ARG 60 2.914 24.548 -9.647 367 HG2 ARG 60 HG2 ARG 60 4.553 23.646 -11.277 368 HG3 ARG 60 HG3 ARG 60 3.797 22.058 -11.142 369 HD2 ARG 60 HD2 ARG 60 1.646 23.050 -11.910 370 HD3 ARG 60 HD3 ARG 60 2.459 24.601 -12.116 371 HE ARG 60 HE ARG 60 3.500 23.748 -14.072 372 HH11 ARG 60 HH11 ARG 60 4.689 21.690 -14.676 373 HH12 ARG 60 HH12 ARG 60 3.666 20.298 -14.811 374 HH21 ARG 60 HH21 ARG 60 0.988 21.780 -13.182 375 HH22 ARG 60 HH22 ARG 60 1.570 20.349 -13.965 376 H LYS 61 H LYS 61 6.414 22.506 -9.701 377 HA LYS 61 HA LYS 61 7.838 24.915 -8.817 378 HB2 LYS 61 HB2 LYS 61 8.914 22.642 -8.921 379 HB3 LYS 61 HB3 LYS 61 8.795 22.721 -10.679 380 HG2 LYS 61 HG2 LYS 61 10.991 23.498 -10.149 381 HG3 LYS 61 HG3 LYS 61 10.052 24.945 -10.517 382 HD2 LYS 61 HD2 LYS 61 9.668 25.315 -8.109 383 HD3 LYS 61 HD3 LYS 61 10.593 23.861 -7.735 384 HE2 LYS 61 HE2 LYS 61 12.394 25.232 -7.632 385 HE3 LYS 61 HE3 LYS 61 12.305 25.272 -9.392 386 HZ1 LYS 61 HZ1 LYS 61 12.311 27.499 -8.617 387 HZ2 LYS 61 HZ2 LYS 61 11.083 27.187 -7.485 388 HZ3 LYS 61 HZ3 LYS 61 10.735 27.166 -9.147 389 H LYS 62 H LYS 62 8.356 26.664 -10.107 390 HA LYS 62 HA LYS 62 6.823 27.142 -12.484 391 HB2 LYS 62 HB2 LYS 62 7.752 28.920 -10.962 392 HB3 LYS 62 HB3 LYS 62 9.352 28.572 -11.618 393 HG2 LYS 62 HG2 LYS 62 8.506 29.087 -13.897 394 HG3 LYS 62 HG3 LYS 62 6.935 29.492 -13.206 395 HD2 LYS 62 HD2 LYS 62 8.069 31.228 -11.793 396 HD3 LYS 62 HD3 LYS 62 9.574 30.880 -12.646 397 HE2 LYS 62 HE2 LYS 62 8.476 31.465 -14.792 398 HE3 LYS 62 HE3 LYS 62 6.994 31.852 -13.916 399 HZ1 LYS 62 HZ1 LYS 62 8.862 33.647 -14.481 400 HZ2 LYS 62 HZ2 LYS 62 9.421 33.134 -12.960 401 HZ3 LYS 62 HZ3 LYS 62 7.850 33.760 -13.124 402 H ASP 63 H ASP 63 7.338 26.821 -14.629 403 HA ASP 63 HA ASP 63 9.646 25.112 -15.215 404 HB2 ASP 63 HB2 ASP 63 7.421 24.795 -16.317 405 HB3 ASP 63 HB3 ASP 63 7.636 26.349 -17.122 406 H ASN 64 H ASN 64 11.620 25.995 -15.567 407 HA ASN 64 HA ASN 64 11.779 28.806 -16.523 408 HB2 ASN 64 HB2 ASN 64 13.074 28.019 -14.480 409 HB3 ASN 64 HB3 ASN 64 14.049 27.040 -15.576 410 HD21 ASN 64 HD21 ASN 64 15.921 28.454 -14.929 411 HD22 ASN 64 HD22 ASN 64 16.093 29.983 -15.647 412 H ARG 65 H ARG 65 11.939 29.028 -18.701 413 HA ARG 65 HA ARG 65 12.424 27.001 -20.574 414 HB2 ARG 65 HB2 ARG 65 13.116 29.949 -20.775 415 HB3 ARG 65 HB3 ARG 65 13.059 28.836 -22.142 416 HG2 ARG 65 HG2 ARG 65 10.674 28.343 -21.589 417 HG3 ARG 65 HG3 ARG 65 10.751 29.554 -20.310 418 HD2 ARG 65 HD2 ARG 65 11.391 31.259 -22.022 419 HD3 ARG 65 HD3 ARG 65 11.173 30.036 -23.275 420 HE ARG 65 HE ARG 65 8.749 29.917 -22.207 421 HH11 ARG 65 HH11 ARG 65 10.019 32.612 -20.957 422 HH12 ARG 65 HH12 ARG 65 9.054 33.757 -21.829 423 HH21 ARG 65 HH21 ARG 65 7.817 31.413 -24.065 424 HH22 ARG 65 HH22 ARG 65 7.808 33.078 -23.586 425 H PHE 66 H PHE 66 14.768 29.101 -18.922 426 HA PHE 66 HA PHE 66 17.077 28.223 -20.365 427 HB2 PHE 66 HB2 PHE 66 16.787 29.276 -17.536 428 HB3 PHE 66 HB3 PHE 66 18.334 29.037 -18.348 429 HD1 PHE 66 HD1 PHE 66 18.944 30.390 -20.328 430 HD2 PHE 66 HD2 PHE 66 15.305 31.087 -18.155 431 HE1 PHE 66 HE1 PHE 66 18.702 32.593 -21.439 432 HE2 PHE 66 HE2 PHE 66 15.063 33.290 -19.266 433 HZ PHE 66 HZ PHE 66 16.761 34.043 -20.909 434 H ALA 67 H ALA 67 15.791 27.151 -17.196 435 HA ALA 67 HA ALA 67 16.270 25.194 -15.977 436 HB1 ALA 67 HB1 ALA 67 15.139 23.632 -17.139 437 HB2 ALA 67 HB2 ALA 67 16.586 23.337 -18.105 438 HB3 ALA 67 HB3 ALA 67 15.399 24.530 -18.636 439 H VAL 68 H VAL 68 18.590 26.805 -16.996 440 HA VAL 68 HA VAL 68 20.617 24.604 -16.950 441 HB VAL 68 HB VAL 68 20.610 25.668 -19.152 442 HG11 VAL 68 HG11 VAL 68 20.691 28.169 -17.479 443 HG12 VAL 68 HG12 VAL 68 19.648 27.787 -18.847 444 HG13 VAL 68 HG13 VAL 68 21.346 28.178 -19.116 445 HG21 VAL 68 HG21 VAL 68 22.793 25.168 -17.737 446 HG22 VAL 68 HG22 VAL 68 22.970 26.922 -17.793 447 HG23 VAL 68 HG23 VAL 68 22.906 25.993 -19.291 448 H ALA 69 H ALA 69 22.495 25.022 -15.681 449 HA ALA 69 HA ALA 69 22.490 27.531 -14.083 450 HB1 ALA 69 HB1 ALA 69 22.729 24.761 -12.868 451 HB2 ALA 69 HB2 ALA 69 21.289 25.773 -12.775 452 HB3 ALA 69 HB3 ALA 69 22.784 26.293 -11.997 453 H LEU 70 H LEU 70 24.583 28.126 -13.347 454 HA LEU 70 HA LEU 70 26.779 26.796 -14.815 455 HB2 LEU 70 HB2 LEU 70 26.442 29.336 -14.726 456 HB3 LEU 70 HB3 LEU 70 26.990 29.244 -13.051 457 HG LEU 70 HG LEU 70 28.821 29.755 -14.714 458 HD11 LEU 70 HD21 LEU 70 29.588 27.112 -13.641 459 HD12 LEU 70 HD22 LEU 70 28.869 28.204 -12.458 460 HD13 LEU 70 HD23 LEU 70 30.307 28.696 -13.352 461 HD21 LEU 70 HD11 LEU 70 29.329 28.338 -16.436 462 HD22 LEU 70 HD12 LEU 70 27.641 27.861 -16.260 463 HD23 LEU 70 HD13 LEU 70 28.911 26.897 -15.508 464 H ASP 71 H ASP 71 28.212 25.450 -13.822 465 HA ASP 71 HA ASP 71 27.861 24.881 -10.963 466 HB2 ASP 71 HB3 ASP 71 28.275 23.102 -12.722 467 HB3 ASP 71 HB2 ASP 71 29.920 23.723 -12.858 468 H SER 72 H SER 72 29.172 25.627 -9.355 469 HA SER 72 HA SER 72 30.866 27.823 -9.617 470 HB2 SER 72 HB2 SER 72 31.717 27.299 -7.421 471 HB3 SER 72 HB3 SER 72 30.023 26.811 -7.460 472 HG SER 72 HG SER 72 32.190 25.316 -7.010 473 H GLU 73 H GLU 73 31.539 24.514 -10.439 474 HA GLU 73 HA GLU 73 34.453 24.922 -10.476 475 HB2 GLU 73 HB2 GLU 73 32.784 22.613 -11.520 476 HB3 GLU 73 HB3 GLU 73 34.537 22.619 -11.325 477 HG2 GLU 73 HG3 GLU 73 34.259 22.988 -8.894 478 HG3 GLU 73 HG2 GLU 73 32.507 22.956 -9.095 479 H GLN 74 H GLN 74 32.541 26.525 -12.236 480 HA GLN 74 HA GLN 74 32.599 27.392 -14.411 481 HB2 GLN 74 HB2 GLN 74 35.187 25.814 -14.544 482 HB3 GLN 74 HB3 GLN 74 34.684 27.054 -15.694 483 HG2 GLN 74 HG3 GLN 74 34.654 28.729 -13.889 484 HG3 GLN 74 HG2 GLN 74 35.122 27.492 -12.723 485 HE21 GLN 74 HE21 GLN 74 36.794 29.746 -13.098 486 HE22 GLN 74 HE22 GLN 74 38.227 29.253 -13.862 487 H ASN 75 H ASN 75 31.062 25.054 -13.971 488 HA ASN 75 HA ASN 75 31.372 23.728 -16.636 489 HB2 ASN 75 HB2 ASN 75 30.536 22.417 -14.030 490 HB3 ASN 75 HB3 ASN 75 30.539 21.631 -15.608 491 HD21 ASN 75 HD21 ASN 75 32.154 20.471 -13.681 492 HD22 ASN 75 HD22 ASN 75 33.787 20.783 -14.020 493 H ASN 76 H ASN 76 29.428 23.356 -17.750 494 HA ASN 76 HA ASN 76 27.132 24.932 -16.781 495 HB2 ASN 76 HB2 ASN 76 27.590 23.427 -19.375 496 HB3 ASN 76 HB3 ASN 76 26.185 24.435 -19.030 497 HD21 ASN 76 HD21 ASN 76 27.981 25.057 -21.184 498 HD22 ASN 76 HD22 ASN 76 28.798 26.495 -20.804 499 H ILE 77 H ILE 77 25.315 24.037 -15.907 500 HA ILE 77 HA ILE 77 25.124 21.052 -15.927 501 HB ILE 77 HB ILE 77 23.967 23.030 -13.937 502 HG12 ILE 77 HG12 ILE 77 26.286 21.094 -13.653 503 HG13 ILE 77 HG13 ILE 77 26.454 22.837 -13.868 504 HG21 ILE 77 HG21 ILE 77 24.075 19.998 -13.965 505 HG22 ILE 77 HG22 ILE 77 22.626 20.985 -14.151 506 HG23 ILE 77 HG23 ILE 77 23.496 20.977 -12.618 507 HD11 ILE 77 HD11 ILE 77 26.285 21.585 -11.431 508 HD12 ILE 77 HD12 ILE 77 24.606 22.053 -11.706 509 HD13 ILE 77 HD13 ILE 77 25.875 23.278 -11.712 510 H HIS 78 H HIS 78 23.123 20.116 -16.481 511 HA HIS 78 HA HIS 78 20.949 21.990 -17.284 512 HB2 HIS 78 HB2 HIS 78 22.239 21.396 -19.311 513 HB3 HIS 78 HB3 HIS 78 21.983 19.685 -18.964 514 HD1 HIS 78 HD1 HIS 78 20.262 18.879 -20.583 515 HD2 HIS 78 HD2 HIS 78 19.277 22.623 -19.035 516 HE1 HIS 78 HE1 HIS 78 17.977 19.459 -21.510 517 H VAL 79 H VAL 79 18.856 21.121 -17.046 518 HA VAL 79 HA VAL 79 18.475 19.139 -15.049 519 HB VAL 79 HB VAL 79 16.132 19.295 -15.547 520 HG11 VAL 79 HG21 VAL 79 16.282 21.960 -16.362 521 HG12 VAL 79 HG22 VAL 79 17.825 21.671 -15.558 522 HG13 VAL 79 HG23 VAL 79 16.313 21.379 -14.697 523 HG21 VAL 79 HG11 VAL 79 15.641 19.021 -17.750 524 HG22 VAL 79 HG12 VAL 79 17.159 19.750 -18.273 525 HG23 VAL 79 HG13 VAL 79 15.791 20.776 -17.837 526 H LYS 80 H LYS 80 18.918 18.866 -18.496 527 HA LYS 80 HA LYS 80 18.329 15.939 -18.297 528 HB2 LYS 80 HB2 LYS 80 18.336 17.706 -20.765 529 HB3 LYS 80 HB3 LYS 80 17.933 15.990 -20.721 530 HG2 LYS 80 HG2 LYS 80 16.446 18.188 -19.249 531 HG3 LYS 80 HG3 LYS 80 15.891 17.379 -20.714 532 HD2 LYS 80 HD2 LYS 80 16.012 15.195 -19.460 533 HD3 LYS 80 HD3 LYS 80 16.348 16.120 -17.996 534 HE2 LYS 80 HE2 LYS 80 14.047 17.181 -19.438 535 HE3 LYS 80 HE3 LYS 80 13.820 15.488 -19.002 536 HZ1 LYS 80 HZ1 LYS 80 13.541 16.052 -16.893 537 HZ2 LYS 80 HZ2 LYS 80 13.576 17.688 -17.351 538 HZ3 LYS 80 HZ3 LYS 80 15.005 16.909 -16.862 539 H ASP 81 H ASP 81 20.439 15.328 -17.627 540 HA ASP 81 HA ASP 81 22.370 15.028 -19.761 541 HB2 ASP 81 HB2 ASP 81 22.740 17.428 -19.106 542 HB3 ASP 81 HB3 ASP 81 23.168 16.872 -17.489 543 H ILE 82 H ILE 82 24.439 13.985 -18.837 544 HA ILE 82 HA ILE 82 23.627 12.221 -16.576 545 HB ILE 82 HB ILE 82 25.868 11.844 -18.584 546 HG12 ILE 82 HG12 ILE 82 23.150 10.505 -18.500 547 HG13 ILE 82 HG13 ILE 82 23.543 11.852 -19.568 548 HG21 ILE 82 HG21 ILE 82 25.171 9.380 -17.626 549 HG22 ILE 82 HG22 ILE 82 24.910 10.383 -16.199 550 HG23 ILE 82 HG23 ILE 82 26.492 10.353 -16.977 551 HD11 ILE 82 HD11 ILE 82 25.607 10.308 -20.203 552 HD12 ILE 82 HD12 ILE 82 24.035 10.067 -20.965 553 HD13 ILE 82 HD13 ILE 82 24.537 9.027 -19.631 554 H VAL 83 H VAL 83 24.846 12.159 -14.703 555 HA VAL 83 HA VAL 83 27.379 13.734 -14.655 556 HB VAL 83 HB VAL 83 25.397 15.050 -13.748 557 HG11 VAL 83 HG11 VAL 83 25.615 13.076 -11.460 558 HG12 VAL 83 HG12 VAL 83 24.351 12.998 -12.688 559 HG13 VAL 83 HG13 VAL 83 24.462 14.401 -11.625 560 HG21 VAL 83 HG21 VAL 83 26.657 15.568 -11.546 561 HG22 VAL 83 HG22 VAL 83 27.533 15.795 -13.060 562 HG23 VAL 83 HG23 VAL 83 27.816 14.353 -12.085 563 H LYS 84 H LYS 84 28.931 12.931 -13.170 564 HA LYS 84 HA LYS 84 28.378 10.165 -12.237 565 HB2 LYS 84 HB2 LYS 84 30.430 10.700 -13.618 566 HB3 LYS 84 HB3 LYS 84 31.021 11.648 -12.253 567 HG2 LYS 84 HG2 LYS 84 30.871 9.636 -10.810 568 HG3 LYS 84 HG3 LYS 84 30.326 8.695 -12.198 569 HD2 LYS 84 HD2 LYS 84 32.451 9.298 -13.377 570 HD3 LYS 84 HD3 LYS 84 32.998 10.101 -11.905 571 HE2 LYS 84 HE2 LYS 84 33.168 8.086 -10.718 572 HE3 LYS 84 HE3 LYS 84 32.061 7.243 -11.802 573 HZ1 LYS 84 HZ1 LYS 84 34.169 8.115 -13.362 574 HZ2 LYS 84 HZ2 LYS 84 33.826 6.517 -12.895 575 HZ3 LYS 84 HZ3 LYS 84 34.876 7.472 -11.961 576 H VAL 85 H VAL 85 28.507 9.594 -10.060 577 HA VAL 85 HA VAL 85 28.544 11.879 -8.151 578 HB VAL 85 HB VAL 85 27.757 9.039 -7.498 579 HG11 VAL 85 HG21 VAL 85 28.067 10.640 -5.643 580 HG12 VAL 85 HG22 VAL 85 26.370 10.188 -5.810 581 HG13 VAL 85 HG23 VAL 85 26.931 11.749 -6.411 582 HG21 VAL 85 HG11 VAL 85 26.289 11.109 -9.080 583 HG22 VAL 85 HG12 VAL 85 25.369 10.149 -7.920 584 HG23 VAL 85 HG13 VAL 85 26.250 9.352 -9.225 585 H ILE 86 H ILE 86 30.478 12.219 -7.173 586 HA ILE 86 HA ILE 86 32.113 9.819 -6.458 587 HB ILE 86 HB ILE 86 33.123 12.517 -7.410 588 HG12 ILE 86 HG12 ILE 86 33.322 9.782 -8.704 589 HG13 ILE 86 HG13 ILE 86 32.163 11.021 -9.179 590 HG21 ILE 86 HG21 ILE 86 34.802 11.818 -5.968 591 HG22 ILE 86 HG22 ILE 86 35.298 10.994 -7.446 592 HG23 ILE 86 HG23 ILE 86 34.426 10.110 -6.194 593 HD11 ILE 86 HD11 ILE 86 34.234 11.006 -10.595 594 HD12 ILE 86 HD12 ILE 86 35.168 11.421 -9.157 595 HD13 ILE 86 HD13 ILE 86 33.959 12.545 -9.779 596 H ASP 87 H ASP 87 30.196 11.990 -5.128 597 HA ASP 87 HA ASP 87 31.973 12.354 -2.750 598 HB2 ASP 87 HB2 ASP 87 29.993 14.317 -3.938 599 HB3 ASP 87 HB3 ASP 87 30.697 14.497 -2.332 600 H GLY 88 H GLY 88 30.826 12.333 -0.698 601 HA2 GLY 88 HA2 GLY 88 29.093 11.694 0.767 602 HA3 GLY 88 HA3 GLY 88 27.980 11.752 -0.600 603 HA PRO 89 HA PRO 89 28.717 7.262 0.605 604 HB2 PRO 89 HB2 PRO 89 26.097 6.599 0.702 605 HB3 PRO 89 HB3 PRO 89 26.975 7.250 2.088 606 HG2 PRO 89 HG2 PRO 89 25.161 8.655 0.162 607 HG3 PRO 89 HG3 PRO 89 25.240 8.801 1.921 608 HD2 PRO 89 HD3 PRO 89 26.372 10.626 0.283 609 HD3 PRO 89 HD2 PRO 89 27.071 10.215 1.849 610 H HIS 90 H HIS 90 26.962 8.969 -1.864 611 HA HIS 90 HA HIS 90 26.554 6.544 -3.494 612 HB2 HIS 90 HB2 HIS 90 26.026 9.481 -4.044 613 HB3 HIS 90 HB3 HIS 90 25.640 8.175 -5.166 614 HD1 HIS 90 HD1 HIS 90 23.337 9.859 -4.050 615 HD2 HIS 90 HD2 HIS 90 24.689 6.361 -2.230 616 HE1 HIS 90 HE1 HIS 90 21.422 9.004 -2.629 617 H SER 91 H SER 91 28.940 8.924 -2.961 618 HA SER 91 HA SER 91 30.223 9.395 -5.345 619 HB2 SER 91 HB2 SER 91 31.181 10.219 -3.309 620 HB3 SER 91 HB3 SER 91 31.404 8.588 -2.680 621 HG SER 91 HG SER 91 33.223 8.499 -3.693 622 H GLY 92 H GLY 92 31.283 8.191 -6.880 623 HA2 GLY 92 HA2 GLY 92 32.615 6.284 -7.595 624 HA3 GLY 92 HA3 GLY 92 31.962 5.364 -6.239 625 H ARG 93 H ARG 93 29.411 7.050 -7.496 626 HA ARG 93 HA ARG 93 28.728 4.836 -9.390 627 HB2 ARG 93 HB2 ARG 93 26.923 6.255 -7.408 628 HB3 ARG 93 HB3 ARG 93 26.364 5.108 -8.626 629 HG2 ARG 93 HG2 ARG 93 27.869 3.382 -7.645 630 HG3 ARG 93 HG3 ARG 93 28.329 4.531 -6.388 631 HD2 ARG 93 HD2 ARG 93 25.906 4.713 -5.755 632 HD3 ARG 93 HD3 ARG 93 25.551 3.433 -6.915 633 HE ARG 93 HE ARG 93 26.175 1.971 -5.186 634 HH11 ARG 93 HH11 ARG 93 28.831 1.611 -5.185 635 HH12 ARG 93 HH12 ARG 93 29.507 2.500 -3.862 636 HH21 ARG 93 HH21 ARG 93 26.719 4.518 -3.446 637 HH22 ARG 93 HH22 ARG 93 28.312 4.145 -2.877 638 H GLU 94 H GLU 94 27.262 5.465 -11.128 639 HA GLU 94 HA GLU 94 27.467 8.380 -11.755 640 HB2 GLU 94 HB2 GLU 94 28.607 6.827 -13.340 641 HB3 GLU 94 HB3 GLU 94 27.057 6.048 -13.653 642 HG2 GLU 94 HG2 GLU 94 26.153 8.284 -14.365 643 HG3 GLU 94 HG3 GLU 94 27.783 8.940 -14.205 644 H GLY 95 H GLY 95 25.584 9.500 -12.303 645 HA2 GLY 95 HA3 GLY 95 23.046 7.929 -12.348 646 HA3 GLY 95 HA2 GLY 95 23.192 9.335 -11.294 647 H GLU 96 H GLU 96 21.204 9.340 -13.199 648 HA GLU 96 HA GLU 96 22.265 11.040 -15.412 649 HB2 GLU 96 HB2 GLU 96 19.589 9.640 -15.109 650 HB3 GLU 96 HB3 GLU 96 20.072 10.614 -16.498 651 HG2 GLU 96 HG2 GLU 96 22.024 9.076 -16.828 652 HG3 GLU 96 HG3 GLU 96 21.395 8.062 -15.529 653 H ILE 97 H ILE 97 21.428 13.130 -15.710 654 HA ILE 97 HA ILE 97 20.151 14.304 -13.320 655 HB ILE 97 HB ILE 97 21.269 15.550 -15.848 656 HG12 ILE 97 HG13 ILE 97 22.260 15.721 -12.992 657 HG13 ILE 97 HG12 ILE 97 22.859 14.530 -14.148 658 HG21 ILE 97 HG21 ILE 97 19.530 16.615 -13.742 659 HG22 ILE 97 HG22 ILE 97 19.955 17.315 -15.305 660 HG23 ILE 97 HG23 ILE 97 21.027 17.531 -13.922 661 HD11 ILE 97 HD11 ILE 97 23.806 17.142 -13.825 662 HD12 ILE 97 HD12 ILE 97 22.824 17.212 -15.290 663 HD13 ILE 97 HD13 ILE 97 24.159 16.065 -15.176 664 H ARG 98 H ARG 98 17.962 14.158 -13.267 665 HA ARG 98 HA ARG 98 16.437 14.306 -15.814 666 HB2 ARG 98 HB3 ARG 98 15.964 12.498 -14.098 667 HB3 ARG 98 HB2 ARG 98 15.382 13.769 -13.023 668 HG2 ARG 98 HG2 ARG 98 13.636 14.379 -14.563 669 HG3 ARG 98 HG3 ARG 98 14.311 13.348 -15.825 670 HD2 ARG 98 HD2 ARG 98 13.894 11.362 -14.368 671 HD3 ARG 98 HD3 ARG 98 13.123 12.424 -13.189 672 HE ARG 98 HE ARG 98 11.201 12.252 -14.524 673 HH11 ARG 98 HH11 ARG 98 13.666 10.823 -16.278 674 HH12 ARG 98 HH12 ARG 98 13.000 11.165 -17.840 675 HH21 ARG 98 HH21 ARG 98 10.491 13.219 -16.611 676 HH22 ARG 98 HH22 ARG 98 11.203 12.522 -18.028 677 H HIS 99 H HIS 99 16.109 15.661 -12.512 678 HA HIS 99 HA HIS 99 15.079 18.165 -13.785 679 HB2 HIS 99 HB2 HIS 99 14.635 17.563 -10.883 680 HB3 HIS 99 HB3 HIS 99 13.616 18.461 -12.006 681 HD1 HIS 99 HD1 HIS 99 12.148 17.040 -13.682 682 HD2 HIS 99 HD2 HIS 99 14.126 14.794 -10.779 683 HE1 HIS 99 HE1 HIS 99 11.075 14.744 -13.696 684 H LEU 100 H LEU 100 16.051 20.125 -13.146 685 HA LEU 100 HA LEU 100 18.464 19.810 -11.405 686 HB2 LEU 100 HB2 LEU 100 19.059 20.365 -13.716 687 HB3 LEU 100 HB3 LEU 100 17.971 21.753 -13.681 688 HG LEU 100 HG LEU 100 19.362 22.503 -11.612 689 HD11 LEU 100 HD11 LEU 100 21.776 21.709 -11.875 690 HD12 LEU 100 HD12 LEU 100 21.142 20.416 -12.893 691 HD13 LEU 100 HD13 LEU 100 20.651 20.529 -11.203 692 HD21 LEU 100 HD21 LEU 100 19.465 23.108 -14.298 693 HD22 LEU 100 HD22 LEU 100 21.143 22.693 -13.947 694 HD23 LEU 100 HD23 LEU 100 20.343 23.974 -13.037 695 H PHE 101 H PHE 101 18.851 21.403 -9.834 696 HA PHE 101 HA PHE 101 16.632 23.363 -9.406 697 HB2 PHE 101 HB3 PHE 101 16.597 21.457 -7.775 698 HB3 PHE 101 HB2 PHE 101 18.214 21.928 -7.253 699 HD1 PHE 101 HD1 PHE 101 14.757 23.295 -7.706 700 HD2 PHE 101 HD2 PHE 101 18.485 23.560 -5.591 701 HE1 PHE 101 HE1 PHE 101 13.776 24.993 -6.189 702 HE2 PHE 101 HE2 PHE 101 17.505 25.258 -4.073 703 HZ PHE 101 HZ PHE 101 15.150 25.975 -4.372 704 H ARG 102 H ARG 102 17.295 25.381 -8.450 705 HA ARG 102 HA ARG 102 19.462 26.698 -9.449 706 HB2 ARG 102 HB3 ARG 102 18.301 26.990 -6.667 707 HB3 ARG 102 HB2 ARG 102 19.433 28.140 -7.378 708 HG2 ARG 102 HG2 ARG 102 17.812 28.319 -9.343 709 HG3 ARG 102 HG3 ARG 102 16.655 27.431 -8.350 710 HD2 ARG 102 HD2 ARG 102 18.013 30.006 -7.498 711 HD3 ARG 102 HD3 ARG 102 16.391 29.919 -8.185 712 HE ARG 102 HE ARG 102 16.492 28.129 -5.983 713 HH11 ARG 102 HH11 ARG 102 16.103 28.840 -3.850 714 HH12 ARG 102 HH12 ARG 102 15.716 30.506 -3.582 715 HH21 ARG 102 HH21 ARG 102 16.245 31.435 -6.880 716 HH22 ARG 102 HH22 ARG 102 15.795 31.975 -5.297 717 H SER 103 H SER 103 19.573 24.884 -6.354 718 HA SER 103 HA SER 103 22.545 24.803 -6.705 719 HB2 SER 103 HB3 SER 103 21.669 24.451 -3.952 720 HB3 SER 103 HB2 SER 103 22.845 25.588 -4.612 721 HG SER 103 HG SER 103 21.179 26.971 -5.144 722 H PHE 104 H PHE 104 19.856 22.958 -6.895 723 HA PHE 104 HA PHE 104 21.353 20.540 -5.975 724 HB2 PHE 104 HB3 PHE 104 18.441 21.229 -5.519 725 HB3 PHE 104 HB2 PHE 104 19.060 19.584 -5.379 726 HD1 PHE 104 HD1 PHE 104 20.593 18.956 -3.582 727 HD2 PHE 104 HD2 PHE 104 19.117 22.973 -3.940 728 HE1 PHE 104 HE1 PHE 104 21.393 19.453 -1.288 729 HE2 PHE 104 HE2 PHE 104 19.915 23.471 -1.644 730 HZ PHE 104 HZ PHE 104 21.054 21.710 -0.319 731 H ALA 105 H ALA 105 20.152 18.510 -6.972 732 HA ALA 105 HA ALA 105 18.902 19.034 -9.577 733 HB1 ALA 105 HB1 ALA 105 20.613 18.231 -10.960 734 HB2 ALA 105 HB2 ALA 105 21.439 17.419 -9.631 735 HB3 ALA 105 HB3 ALA 105 21.513 19.175 -9.773 736 H PHE 106 H PHE 106 17.421 17.439 -9.869 737 HA PHE 106 HA PHE 106 17.565 15.037 -8.161 738 HB2 PHE 106 HB2 PHE 106 15.465 16.099 -10.068 739 HB3 PHE 106 HB3 PHE 106 15.313 14.551 -9.237 740 HD1 PHE 106 HD1 PHE 106 15.989 18.177 -8.568 741 HD2 PHE 106 HD2 PHE 106 14.401 14.473 -7.079 742 HE1 PHE 106 HE1 PHE 106 15.169 19.344 -6.538 743 HE2 PHE 106 HE2 PHE 106 13.581 15.640 -5.050 744 HZ PHE 106 HZ PHE 106 13.965 18.075 -4.779 745 H LEU 107 H LEU 107 17.951 12.963 -8.946 746 HA LEU 107 HA LEU 107 18.587 12.785 -11.867 747 HB2 LEU 107 HB3 LEU 107 19.912 11.377 -9.532 748 HB3 LEU 107 HB2 LEU 107 20.275 11.064 -11.230 749 HG LEU 107 HG LEU 107 20.537 13.759 -11.193 750 HD11 LEU 107 HD11 LEU 107 20.920 14.630 -9.143 751 HD12 LEU 107 HD12 LEU 107 22.020 13.317 -8.722 752 HD13 LEU 107 HD13 LEU 107 20.284 13.124 -8.483 753 HD21 LEU 107 HD21 LEU 107 23.024 13.273 -10.792 754 HD22 LEU 107 HD22 LEU 107 22.249 12.365 -12.091 755 HD23 LEU 107 HD23 LEU 107 22.543 11.596 -10.531 756 H HIS 108 H HIS 108 18.332 10.566 -12.766 757 HA HIS 108 HA HIS 108 16.214 9.021 -11.325 758 HB2 HIS 108 HB2 HIS 108 15.143 10.132 -13.178 759 HB3 HIS 108 HB3 HIS 108 16.446 9.676 -14.275 760 HD1 HIS 108 HD1 HIS 108 15.800 7.766 -15.723 761 HD2 HIS 108 HD2 HIS 108 14.014 7.493 -11.966 762 HE1 HIS 108 HE1 HIS 108 14.411 5.649 -15.743 763 H CYS 109 H CYS 109 16.576 6.819 -11.211 764 HA CYS 109 HA CYS 109 18.850 5.734 -12.821 765 HB2 CYS 109 HB3 CYS 109 18.622 5.964 -9.954 766 HB3 CYS 109 HB2 CYS 109 18.683 4.261 -10.410 767 HG CYS 109 HG CYS 109 21.143 5.344 -10.186 768 H LYS 110 H LYS 110 17.829 4.384 -14.244 769 HA LYS 110 HA LYS 110 15.323 3.105 -13.795 770 HB2 LYS 110 HB3 LYS 110 16.408 3.429 -16.036 771 HB3 LYS 110 HB2 LYS 110 17.552 2.152 -15.617 772 HG2 LYS 110 HG2 LYS 110 15.723 0.549 -15.369 773 HG3 LYS 110 HG3 LYS 110 14.537 1.819 -15.674 774 HD2 LYS 110 HD2 LYS 110 14.898 0.548 -17.728 775 HD3 LYS 110 HD3 LYS 110 15.557 2.171 -17.928 776 HE2 LYS 110 HE2 LYS 110 17.689 1.407 -18.101 777 HE3 LYS 110 HE3 LYS 110 17.469 0.237 -16.801 778 HZ1 LYS 110 HZ1 LYS 110 16.909 -0.048 -19.669 779 HZ2 LYS 110 HZ2 LYS 110 15.998 -0.952 -18.556 780 HZ3 LYS 110 HZ3 LYS 110 17.688 -1.123 -18.614 781 H LYS 111 H LYS 111 18.629 2.109 -13.071 782 HA LYS 111 HA LYS 111 18.227 -0.635 -12.572 783 HB2 LYS 111 HB2 LYS 111 19.986 1.305 -11.038 784 HB3 LYS 111 HB3 LYS 111 20.130 -0.452 -10.995 785 HG2 LYS 111 HG2 LYS 111 20.514 -0.449 -13.457 786 HG3 LYS 111 HG3 LYS 111 20.455 1.314 -13.441 787 HD2 LYS 111 HD2 LYS 111 22.357 1.330 -11.830 788 HD3 LYS 111 HD3 LYS 111 22.443 -0.428 -11.950 789 HE2 LYS 111 HE2 LYS 111 22.568 0.072 -14.545 790 HE3 LYS 111 HE3 LYS 111 23.136 1.650 -13.999 791 HZ1 LYS 111 HZ1 LYS 111 24.336 -0.636 -12.681 792 HZ2 LYS 111 HZ2 LYS 111 25.052 0.799 -13.242 793 HZ3 LYS 111 HZ3 LYS 111 24.721 -0.467 -14.324 794 H LEU 112 H LEU 112 17.441 2.169 -10.564 795 HA LEU 112 HA LEU 112 16.359 0.330 -8.483 796 HB2 LEU 112 HB3 LEU 112 17.946 2.434 -8.078 797 HB3 LEU 112 HB2 LEU 112 16.409 3.299 -8.124 798 HG LEU 112 HG LEU 112 16.830 2.684 -5.826 799 HD11 LEU 112 HD11 LEU 112 14.927 0.535 -6.710 800 HD12 LEU 112 HD12 LEU 112 14.517 2.226 -7.001 801 HD13 LEU 112 HD13 LEU 112 14.789 1.655 -5.354 802 HD21 LEU 112 HD21 LEU 112 16.894 0.047 -5.457 803 HD22 LEU 112 HD22 LEU 112 18.370 0.957 -5.781 804 HD23 LEU 112 HD23 LEU 112 17.574 0.074 -7.084 805 H VAL 113 H VAL 113 14.205 -0.047 -8.540 806 HA VAL 113 HA VAL 113 12.459 2.017 -9.824 807 HB VAL 113 HB VAL 113 12.019 -0.980 -9.626 808 HG11 VAL 113 HG11 VAL 113 10.125 -0.506 -11.170 809 HG12 VAL 113 HG12 VAL 113 10.450 1.220 -11.006 810 HG13 VAL 113 HG13 VAL 113 9.920 0.286 -9.607 811 HG21 VAL 113 HG21 VAL 113 13.784 -0.492 -11.217 812 HG22 VAL 113 HG22 VAL 113 12.837 0.815 -11.928 813 HG23 VAL 113 HG23 VAL 113 12.314 -0.858 -12.121 814 H GLU 114 H GLU 114 13.105 0.138 -6.991 815 HA GLU 114 HA GLU 114 10.641 0.008 -5.686 816 HB2 GLU 114 HB3 GLU 114 12.873 -0.779 -4.786 817 HB3 GLU 114 HB2 GLU 114 13.213 0.896 -4.349 818 HG2 GLU 114 HG3 GLU 114 11.146 0.933 -2.970 819 HG3 GLU 114 HG2 GLU 114 10.864 -0.760 -3.374 820 H ASN 115 H ASN 115 12.803 2.822 -5.979 821 HA ASN 115 HA ASN 115 10.545 4.504 -4.963 822 HB2 ASN 115 HB2 ASN 115 13.536 4.957 -4.728 823 HB3 ASN 115 HB3 ASN 115 12.308 6.127 -4.246 824 HD21 ASN 115 HD21 ASN 115 14.023 5.194 -2.253 825 HD22 ASN 115 HD22 ASN 115 13.149 4.202 -1.189 826 H GLY 116 H GLY 116 11.410 3.583 -7.757 827 HA2 GLY 116 HA3 GLY 116 11.182 4.605 -9.874 828 HA3 GLY 116 HA2 GLY 116 10.951 6.150 -9.057 829 H GLY 117 H GLY 117 13.699 4.709 -7.816 830 HA2 GLY 117 HA2 GLY 117 15.975 5.226 -8.052 831 HA3 GLY 117 HA3 GLY 117 15.680 5.128 -9.788 832 H MET 118 H MET 118 14.096 7.413 -7.610 833 HA MET 118 HA MET 118 15.365 9.615 -9.171 834 HB2 MET 118 HB2 MET 118 12.851 9.574 -7.470 835 HB3 MET 118 HB3 MET 118 13.479 10.998 -8.300 836 HG2 MET 118 HG3 MET 118 12.588 8.408 -9.604 837 HG3 MET 118 HG2 MET 118 11.747 9.956 -9.675 838 HE1 MET 118 HE1 MET 118 14.154 12.251 -11.590 839 HE2 MET 118 HE2 MET 118 13.858 12.045 -9.866 840 HE3 MET 118 HE3 MET 118 12.504 12.026 -10.992 841 H PHE 119 H PHE 119 17.218 10.195 -8.082 842 HA PHE 119 HA PHE 119 16.921 10.773 -5.161 843 HB2 PHE 119 HB2 PHE 119 19.386 10.295 -4.994 844 HB3 PHE 119 HB3 PHE 119 18.416 8.884 -5.416 845 HD1 PHE 119 HD1 PHE 119 18.172 8.301 -7.916 846 HD2 PHE 119 HD2 PHE 119 21.142 11.005 -6.393 847 HE1 PHE 119 HE1 PHE 119 19.500 8.010 -9.990 848 HE2 PHE 119 HE2 PHE 119 22.470 10.713 -8.468 849 HZ PHE 119 HZ PHE 119 21.648 9.217 -10.265 850 H VAL 120 H VAL 120 17.894 12.707 -4.424 851 HA VAL 120 HA VAL 120 18.823 14.546 -6.596 852 HB VAL 120 HB VAL 120 16.647 15.272 -5.793 853 HG11 VAL 120 HG11 VAL 120 17.573 14.186 -3.348 854 HG12 VAL 120 HG12 VAL 120 15.994 14.902 -3.670 855 HG13 VAL 120 HG13 VAL 120 17.310 15.905 -3.057 856 HG21 VAL 120 HG21 VAL 120 17.254 17.497 -4.872 857 HG22 VAL 120 HG22 VAL 120 18.294 17.044 -6.223 858 HG23 VAL 120 HG23 VAL 120 18.888 16.910 -4.568 859 H CYS 121 H CYS 121 20.520 16.016 -6.015 860 HA CYS 121 HA CYS 121 21.717 15.871 -3.346 861 HB2 CYS 121 HB3 CYS 121 22.750 14.276 -5.608 862 HB3 CYS 121 HB2 CYS 121 23.965 15.243 -4.772 863 HG CYS 121 HG CYS 121 22.655 14.016 -2.548 864 H LYS 122 H LYS 122 23.913 17.173 -3.451 865 HA LYS 122 HA LYS 122 23.285 19.729 -4.688 866 HB2 LYS 122 HB2 LYS 122 24.552 19.288 -2.467 867 HB3 LYS 122 HB3 LYS 122 25.956 18.991 -3.493 868 HG2 LYS 122 HG2 LYS 122 25.574 21.237 -4.556 869 HG3 LYS 122 HG3 LYS 122 24.300 21.528 -3.370 870 HD2 LYS 122 HD2 LYS 122 25.931 21.236 -1.541 871 HD3 LYS 122 HD3 LYS 122 27.205 20.939 -2.722 872 HE2 LYS 122 HE2 LYS 122 26.539 23.237 -3.717 873 HE3 LYS 122 HE3 LYS 122 25.700 23.499 -2.188 874 HZ1 LYS 122 HZ1 LYS 122 28.489 23.602 -2.753 875 HZ2 LYS 122 HZ2 LYS 122 28.160 22.517 -1.489 876 HZ3 LYS 122 HZ3 LYS 122 27.649 24.133 -1.378 877 H THR 123 H THR 123 23.772 20.247 -6.757 878 HA THR 123 HA THR 123 24.954 18.661 -8.678 879 HB THR 123 HB THR 123 25.442 20.693 -9.949 880 HG1 THR 123 HG1 THR 123 25.138 21.923 -7.417 881 HG21 THR 123 HG21 THR 123 22.944 20.267 -8.486 882 HG22 THR 123 HG22 THR 123 23.197 20.632 -10.192 883 HG23 THR 123 HG23 THR 123 23.155 21.938 -9.007 884 H ARG 124 H ARG 124 26.585 20.465 -6.160 885 HA ARG 124 HA ARG 124 29.230 20.365 -7.290 886 HB2 ARG 124 HB2 ARG 124 28.573 21.852 -5.396 887 HB3 ARG 124 HB3 ARG 124 28.436 20.429 -4.364 888 HG2 ARG 124 HG2 ARG 124 30.828 19.893 -4.873 889 HG3 ARG 124 HG3 ARG 124 30.939 21.407 -5.772 890 HD2 ARG 124 HD2 ARG 124 30.219 22.616 -3.687 891 HD3 ARG 124 HD3 ARG 124 30.326 21.083 -2.821 892 HE ARG 124 HE ARG 124 32.665 22.447 -4.090 893 HH11 ARG 124 HH11 ARG 124 31.337 21.461 -1.191 894 HH12 ARG 124 HH12 ARG 124 32.738 20.616 -0.623 895 HH21 ARG 124 HH21 ARG 124 34.434 20.857 -3.637 896 HH22 ARG 124 HH22 ARG 124 34.492 20.275 -2.007 897 H HIS 125 H HIS 125 27.488 18.210 -5.041 898 HA HIS 125 HA HIS 125 29.611 16.394 -4.547 899 HB2 HIS 125 HB2 HIS 125 26.613 16.011 -4.645 900 HB3 HIS 125 HB3 HIS 125 27.716 14.714 -4.188 901 HD1 HIS 125 HD1 HIS 125 25.809 15.672 -2.042 902 HD2 HIS 125 HD2 HIS 125 29.556 17.403 -2.631 903 HE1 HIS 125 HE1 HIS 125 26.427 16.801 0.139 904 H LEU 126 H LEU 126 27.338 16.609 -7.252 905 HA LEU 126 HA LEU 126 28.606 14.216 -8.483 906 HB2 LEU 126 HB2 LEU 126 26.173 15.821 -9.324 907 HB3 LEU 126 HB3 LEU 126 26.754 14.359 -10.120 908 HG LEU 126 HG LEU 126 26.543 13.209 -7.845 909 HD11 LEU 126 HD21 LEU 126 26.267 14.751 -6.178 910 HD12 LEU 126 HD22 LEU 126 24.564 14.588 -6.604 911 HD13 LEU 126 HD23 LEU 126 25.510 15.927 -7.253 912 HD21 LEU 126 HD11 LEU 126 24.591 13.838 -9.844 913 HD22 LEU 126 HD12 LEU 126 23.787 13.812 -8.275 914 HD23 LEU 126 HD13 LEU 126 24.688 12.400 -8.827 915 H VAL 127 H VAL 127 29.540 14.355 -10.594 916 HA VAL 127 HA VAL 127 30.172 17.142 -11.482 917 HB VAL 127 HB VAL 127 32.125 15.986 -10.433 918 HG11 VAL 127 HG21 VAL 127 32.692 14.189 -12.611 919 HG12 VAL 127 HG22 VAL 127 31.118 13.795 -11.922 920 HG13 VAL 127 HG23 VAL 127 32.548 13.824 -10.892 921 HG21 VAL 127 HG11 VAL 127 32.135 16.642 -13.379 922 HG22 VAL 127 HG12 VAL 127 33.617 16.193 -12.536 923 HG23 VAL 127 HG13 VAL 127 32.718 17.625 -12.035 924 H LEU 128 H LEU 128 30.070 17.501 -13.715 925 HA LEU 128 HA LEU 128 28.566 15.512 -15.250 926 HB2 LEU 128 HB2 LEU 128 29.635 18.265 -15.919 927 HB3 LEU 128 HB3 LEU 128 28.750 17.267 -17.075 928 HG LEU 128 HG LEU 128 26.940 17.093 -15.232 929 HD11 LEU 128 HD21 LEU 128 28.820 19.138 -14.133 930 HD12 LEU 128 HD22 LEU 128 27.827 17.954 -13.282 931 HD13 LEU 128 HD23 LEU 128 27.091 19.421 -13.928 932 HD21 LEU 128 HD11 LEU 128 25.809 18.710 -16.372 933 HD22 LEU 128 HD12 LEU 128 27.258 18.760 -17.377 934 HD23 LEU 128 HD13 LEU 128 27.050 19.926 -16.070 935 H ALA 129 H ALA 129 29.538 13.926 -16.402 936 HA ALA 129 HA ALA 129 32.382 13.734 -16.706 937 HB1 ALA 129 HB1 ALA 129 31.946 11.769 -18.015 938 HB2 ALA 129 HB2 ALA 129 30.317 12.319 -18.410 939 HB3 ALA 129 HB3 ALA 129 30.704 11.820 -16.764 940 H GLY 130 H GLY 130 29.839 15.042 -18.764 941 HA2 GLY 130 HA2 GLY 130 31.977 15.961 -20.643 942 HA3 GLY 130 HA3 GLY 130 30.425 15.371 -21.240 Start of MODEL 7 1 H GLN 16 H GLN 16 -3.157 14.387 -16.178 2 HA GLN 16 HA GLN 16 -4.576 16.523 -14.725 3 HB2 GLN 16 HB2 GLN 16 -4.361 13.707 -13.614 4 HB3 GLN 16 HB3 GLN 16 -4.962 15.112 -12.734 5 HG2 GLN 16 HG3 GLN 16 -6.779 15.377 -14.373 6 HG3 GLN 16 HG2 GLN 16 -6.169 13.997 -15.284 7 HE21 GLN 16 HE21 GLN 16 -8.808 13.963 -14.197 8 HE22 GLN 16 HE22 GLN 16 -8.873 12.846 -12.920 9 H HIS 17 H HIS 17 -2.290 13.856 -13.991 10 HA HIS 17 HA HIS 17 -0.327 15.959 -13.166 11 HB2 HIS 17 HB2 HIS 17 -0.411 13.239 -11.878 12 HB3 HIS 17 HB3 HIS 17 0.274 14.740 -11.253 13 HD1 HIS 17 HD1 HIS 17 -3.161 13.370 -12.211 14 HD2 HIS 17 HD2 HIS 17 -1.436 16.053 -9.527 15 HE1 HIS 17 HE1 HIS 17 -5.037 14.206 -10.728 16 H GLU 18 H GLU 18 1.957 14.723 -12.944 17 HA GLU 18 HA GLU 18 2.265 12.740 -15.129 18 HB2 GLU 18 HB3 GLU 18 3.883 15.302 -15.022 19 HB3 GLU 18 HB2 GLU 18 4.004 14.029 -16.237 20 HG2 GLU 18 HG3 GLU 18 1.684 14.463 -16.936 21 HG3 GLU 18 HG2 GLU 18 1.538 15.716 -15.704 22 H TRP 19 H TRP 19 4.500 11.797 -15.109 23 HA TRP 19 HA TRP 19 5.436 11.553 -12.308 24 HB2 TRP 19 HB2 TRP 19 4.979 9.538 -13.796 25 HB3 TRP 19 HB3 TRP 19 6.398 10.011 -14.730 26 HD1 TRP 19 HD1 TRP 19 5.358 8.711 -11.294 27 HE1 TRP 19 HE1 TRP 19 7.441 7.782 -10.093 28 HE3 TRP 19 HE3 TRP 19 8.992 10.163 -14.577 29 HZ2 TRP 19 HZ2 TRP 19 10.273 7.668 -10.473 30 HZ3 TRP 19 HZ3 TRP 19 11.372 9.631 -14.133 31 HH2 TRP 19 HH2 TRP 19 12.016 8.387 -12.087 32 H GLY 20 H GLY 20 7.306 12.503 -11.624 33 HA2 GLY 20 HA3 GLY 20 9.651 13.113 -11.988 34 HA3 GLY 20 HA2 GLY 20 9.270 13.389 -13.688 35 H GLU 21 H GLU 21 6.670 14.661 -12.304 36 HA GLU 21 HA GLU 21 7.359 17.367 -12.758 37 HB2 GLU 21 HB2 GLU 21 5.232 16.237 -10.912 38 HB3 GLU 21 HB3 GLU 21 5.305 17.907 -11.476 39 HG2 GLU 21 HG3 GLU 21 5.181 17.076 -13.827 40 HG3 GLU 21 HG2 GLU 21 4.991 15.436 -13.206 41 H LEU 22 H LEU 22 8.315 18.917 -11.485 42 HA LEU 22 HA LEU 22 9.490 18.012 -8.930 43 HB2 LEU 22 HB2 LEU 22 10.862 19.243 -10.625 44 HB3 LEU 22 HB3 LEU 22 9.830 20.652 -10.383 45 HG LEU 22 HG LEU 22 10.837 19.509 -7.874 46 HD11 LEU 22 HD21 LEU 22 12.751 19.091 -9.483 47 HD12 LEU 22 HD22 LEU 22 13.139 20.165 -8.138 48 HD13 LEU 22 HD23 LEU 22 12.822 20.836 -9.737 49 HD21 LEU 22 HD11 LEU 22 10.018 21.610 -7.505 50 HD22 LEU 22 HD12 LEU 22 10.327 22.128 -9.162 51 HD23 LEU 22 HD13 LEU 22 11.640 22.109 -7.985 52 H VAL 23 H VAL 23 8.852 18.791 -6.935 53 HA VAL 23 HA VAL 23 6.730 20.900 -6.926 54 HB VAL 23 HB VAL 23 5.659 19.703 -5.048 55 HG11 VAL 23 HG21 VAL 23 4.436 18.686 -6.639 56 HG12 VAL 23 HG22 VAL 23 5.657 17.422 -6.779 57 HG13 VAL 23 HG23 VAL 23 5.768 18.872 -7.777 58 HG21 VAL 23 HG11 VAL 23 6.571 17.867 -4.037 59 HG22 VAL 23 HG12 VAL 23 8.077 18.510 -4.690 60 HG23 VAL 23 HG13 VAL 23 7.219 17.232 -5.549 61 H GLN 24 H GLN 24 6.815 22.352 -5.149 62 HA GLN 24 HA GLN 24 9.328 22.170 -3.532 63 HB2 GLN 24 HB2 GLN 24 9.281 24.057 -5.169 64 HB3 GLN 24 HB3 GLN 24 7.833 24.673 -4.371 65 HG2 GLN 24 HG2 GLN 24 9.030 25.032 -2.311 66 HG3 GLN 24 HG3 GLN 24 10.447 24.177 -2.922 67 HE21 GLN 24 HE21 GLN 24 11.351 26.494 -2.233 68 HE22 GLN 24 HE22 GLN 24 11.403 27.642 -3.482 69 H LEU 25 H LEU 25 8.557 21.305 -1.615 70 HA LEU 25 HA LEU 25 5.984 21.946 -0.490 71 HB2 LEU 25 HB2 LEU 25 7.277 19.889 0.080 72 HB3 LEU 25 HB3 LEU 25 8.455 20.895 0.923 73 HG LEU 25 HG LEU 25 6.466 21.796 2.281 74 HD11 LEU 25 HD11 LEU 25 4.887 19.443 2.130 75 HD12 LEU 25 HD12 LEU 25 5.123 20.001 0.473 76 HD13 LEU 25 HD13 LEU 25 4.418 21.081 1.675 77 HD21 LEU 25 HD21 LEU 25 7.795 20.439 3.582 78 HD22 LEU 25 HD22 LEU 25 7.727 19.099 2.438 79 HD23 LEU 25 HD23 LEU 25 6.364 19.411 3.512 80 H ASP 26 H ASP 26 9.209 23.333 -0.162 81 HA ASP 26 HA ASP 26 8.013 25.696 1.142 82 HB2 ASP 26 HB2 ASP 26 9.484 23.668 2.599 83 HB3 ASP 26 HB3 ASP 26 10.341 25.207 2.651 84 HA PRO 27 HA PRO 27 11.218 27.942 -0.946 85 HB2 PRO 27 HB2 PRO 27 12.407 29.492 0.926 86 HB3 PRO 27 HB3 PRO 27 10.781 29.803 0.311 87 HG2 PRO 27 HG3 PRO 27 11.624 28.438 2.842 88 HG3 PRO 27 HG2 PRO 27 10.347 29.636 2.599 89 HD2 PRO 27 HD2 PRO 27 9.805 27.002 2.801 90 HD3 PRO 27 HD3 PRO 27 8.860 28.068 1.761 91 H GLN 28 H GLN 28 12.070 25.668 1.393 92 HA GLN 28 HA GLN 28 14.872 25.664 0.383 93 HB2 GLN 28 HB2 GLN 28 14.131 25.225 3.290 94 HB3 GLN 28 HB3 GLN 28 15.756 25.277 2.606 95 HG2 GLN 28 HG2 GLN 28 13.784 27.583 2.591 96 HG3 GLN 28 HG3 GLN 28 15.146 27.423 3.700 97 HE21 GLN 28 HE21 GLN 28 14.537 29.387 1.363 98 HE22 GLN 28 HE22 GLN 28 15.950 29.342 0.423 99 H THR 29 H THR 29 12.084 24.038 0.470 100 HA THR 29 HA THR 29 13.477 21.398 0.580 101 HB THR 29 HB THR 29 10.681 21.984 1.601 102 HG1 THR 29 HG1 THR 29 11.585 22.198 3.474 103 HG21 THR 29 HG21 THR 29 10.444 19.714 2.001 104 HG22 THR 29 HG22 THR 29 12.185 19.441 2.078 105 HG23 THR 29 HG23 THR 29 11.398 19.677 0.518 106 H VAL 30 H VAL 30 13.016 20.077 -1.149 107 HA VAL 30 HA VAL 30 10.786 20.918 -2.955 108 HB VAL 30 HB VAL 30 12.291 20.244 -4.869 109 HG11 VAL 30 HG21 VAL 30 13.317 22.362 -4.993 110 HG12 VAL 30 HG22 VAL 30 13.589 22.433 -3.251 111 HG13 VAL 30 HG23 VAL 30 11.960 22.635 -3.900 112 HG21 VAL 30 HG11 VAL 30 14.570 19.792 -4.526 113 HG22 VAL 30 HG12 VAL 30 13.807 18.950 -3.178 114 HG23 VAL 30 HG13 VAL 30 14.568 20.519 -2.918 115 H GLY 31 H GLY 31 9.914 19.143 -4.249 116 HA2 GLY 31 HA2 GLY 31 10.732 16.418 -3.399 117 HA3 GLY 31 HA3 GLY 31 9.051 16.890 -3.160 118 H VAL 32 H VAL 32 9.849 14.742 -4.861 119 HA VAL 32 HA VAL 32 8.964 15.849 -7.494 120 HB VAL 32 HB VAL 32 10.931 13.570 -7.182 121 HG11 VAL 32 HG11 VAL 32 10.345 15.344 -9.562 122 HG12 VAL 32 HG12 VAL 32 9.515 13.812 -9.285 123 HG13 VAL 32 HG13 VAL 32 11.260 13.837 -9.541 124 HG21 VAL 32 HG21 VAL 32 11.906 15.650 -6.291 125 HG22 VAL 32 HG22 VAL 32 11.463 16.496 -7.773 126 HG23 VAL 32 HG23 VAL 32 12.665 15.206 -7.820 127 H ILE 33 H ILE 33 7.248 14.759 -8.361 128 HA ILE 33 HA ILE 33 5.873 12.760 -6.832 129 HB ILE 33 HB ILE 33 5.566 13.520 -9.753 130 HG12 ILE 33 HG12 ILE 33 4.101 14.447 -7.263 131 HG13 ILE 33 HG13 ILE 33 5.242 15.409 -8.202 132 HG21 ILE 33 HG21 ILE 33 4.459 11.362 -8.313 133 HG22 ILE 33 HG22 ILE 33 3.939 11.969 -9.886 134 HG23 ILE 33 HG23 ILE 33 3.182 12.575 -8.413 135 HD11 ILE 33 HD11 ILE 33 3.192 16.099 -9.093 136 HD12 ILE 33 HD12 ILE 33 2.477 14.493 -8.946 137 HD13 ILE 33 HD13 ILE 33 3.661 14.819 -10.213 138 H VAL 34 H VAL 34 6.704 10.741 -6.552 139 HA VAL 34 HA VAL 34 8.078 9.451 -8.872 140 HB VAL 34 HB VAL 34 8.758 7.804 -6.929 141 HG11 VAL 34 HG21 VAL 34 10.774 8.803 -7.162 142 HG12 VAL 34 HG22 VAL 34 10.189 10.307 -6.449 143 HG13 VAL 34 HG23 VAL 34 9.952 9.995 -8.169 144 HG21 VAL 34 HG11 VAL 34 8.305 10.346 -5.353 145 HG22 VAL 34 HG12 VAL 34 8.782 8.762 -4.741 146 HG23 VAL 34 HG13 VAL 34 7.146 9.016 -5.352 147 H ARG 35 H ARG 35 5.488 9.098 -6.511 148 HA ARG 35 HA ARG 35 4.460 6.805 -8.125 149 HB2 ARG 35 HB3 ARG 35 4.515 7.049 -5.102 150 HB3 ARG 35 HB2 ARG 35 3.602 5.822 -5.979 151 HG2 ARG 35 HG2 ARG 35 5.736 5.079 -7.058 152 HG3 ARG 35 HG3 ARG 35 6.607 6.227 -6.041 153 HD2 ARG 35 HD2 ARG 35 5.504 5.070 -4.042 154 HD3 ARG 35 HD3 ARG 35 5.020 3.804 -5.171 155 HE ARG 35 HE ARG 35 7.867 4.515 -4.591 156 HH11 ARG 35 HH11 ARG 35 7.047 2.092 -3.259 157 HH12 ARG 35 HH12 ARG 35 7.352 0.843 -4.419 158 HH21 ARG 35 HH21 ARG 35 7.541 3.021 -7.110 159 HH22 ARG 35 HH22 ARG 35 7.630 1.368 -6.599 160 H LEU 36 H LEU 36 2.542 7.434 -8.983 161 HA LEU 36 HA LEU 36 1.004 9.580 -7.630 162 HB2 LEU 36 HB3 LEU 36 0.549 8.275 -10.330 163 HB3 LEU 36 HB2 LEU 36 -0.259 9.719 -9.719 164 HG LEU 36 HG LEU 36 2.444 10.299 -9.402 165 HD11 LEU 36 HD11 LEU 36 3.351 8.610 -10.735 166 HD12 LEU 36 HD12 LEU 36 3.124 9.898 -11.917 167 HD13 LEU 36 HD13 LEU 36 1.958 8.579 -11.817 168 HD21 LEU 36 HD21 LEU 36 1.038 11.062 -11.932 169 HD22 LEU 36 HD22 LEU 36 1.952 12.072 -10.813 170 HD23 LEU 36 HD23 LEU 36 0.320 11.551 -10.397 171 H GLU 37 H GLU 37 -0.820 9.128 -6.488 172 HA GLU 37 HA GLU 37 -2.118 6.470 -6.927 173 HB2 GLU 37 HB2 GLU 37 -1.697 7.890 -4.276 174 HB3 GLU 37 HB3 GLU 37 -2.576 6.379 -4.498 175 HG2 GLU 37 HG2 GLU 37 -0.514 5.339 -5.418 176 HG3 GLU 37 HG3 GLU 37 0.357 6.844 -5.119 177 H ARG 38 H ARG 38 -4.445 6.489 -6.176 178 HA ARG 38 HA ARG 38 -5.745 8.918 -7.159 179 HB2 ARG 38 HB3 ARG 38 -6.854 6.329 -6.035 180 HB3 ARG 38 HB2 ARG 38 -7.848 7.630 -6.691 181 HG2 ARG 38 HG3 ARG 38 -6.567 7.438 -8.844 182 HG3 ARG 38 HG2 ARG 38 -5.739 6.031 -8.174 183 HD2 ARG 38 HD2 ARG 38 -8.042 5.022 -7.766 184 HD3 ARG 38 HD3 ARG 38 -8.698 6.339 -8.740 185 HE ARG 38 HE ARG 38 -6.579 5.032 -10.173 186 HH11 ARG 38 HH11 ARG 38 -8.721 3.085 -8.797 187 HH12 ARG 38 HH12 ARG 38 -9.661 2.712 -10.203 188 HH21 ARG 38 HH21 ARG 38 -8.268 5.236 -12.130 189 HH22 ARG 38 HH22 ARG 38 -9.405 3.929 -12.091 190 H GLU 39 H GLU 39 -5.172 7.386 -4.037 191 HA GLU 39 HA GLU 39 -7.001 9.129 -2.592 192 HB2 GLU 39 HB2 GLU 39 -4.731 7.346 -1.663 193 HB3 GLU 39 HB3 GLU 39 -5.806 8.221 -0.572 194 HG2 GLU 39 HG3 GLU 39 -7.751 7.067 -1.637 195 HG3 GLU 39 HG2 GLU 39 -6.621 6.128 -2.611 196 H THR 40 H THR 40 -3.551 9.169 -3.373 197 HA THR 40 HA THR 40 -3.421 12.031 -2.901 198 HB THR 40 HB THR 40 -1.390 11.400 -1.190 199 HG1 THR 40 HG1 THR 40 -3.544 9.646 -0.626 200 HG21 THR 40 HG21 THR 40 -2.734 12.383 0.491 201 HG22 THR 40 HG22 THR 40 -4.220 11.738 -0.204 202 HG23 THR 40 HG23 THR 40 -3.364 13.049 -1.016 203 H PHE 41 H PHE 41 -0.922 12.673 -3.004 204 HA PHE 41 HA PHE 41 0.276 10.960 -5.144 205 HB2 PHE 41 HB2 PHE 41 0.557 13.937 -4.639 206 HB3 PHE 41 HB3 PHE 41 1.416 13.046 -5.896 207 HD1 PHE 41 HD1 PHE 41 -1.639 14.720 -5.003 208 HD2 PHE 41 HD2 PHE 41 0.022 11.745 -7.618 209 HE1 PHE 41 HE1 PHE 41 -3.608 14.934 -6.496 210 HE2 PHE 41 HE2 PHE 41 -1.946 11.959 -9.111 211 HZ PHE 41 HZ PHE 41 -3.761 13.552 -8.549 212 H GLN 42 H GLN 42 2.318 10.169 -4.800 213 HA GLN 42 HA GLN 42 3.627 10.919 -2.230 214 HB2 GLN 42 HB3 GLN 42 4.062 8.536 -4.056 215 HB3 GLN 42 HB2 GLN 42 4.920 8.819 -2.542 216 HG2 GLN 42 HG2 GLN 42 2.816 8.733 -1.298 217 HG3 GLN 42 HG3 GLN 42 1.910 8.550 -2.798 218 HE21 GLN 42 HE21 GLN 42 1.732 6.553 -0.784 219 HE22 GLN 42 HE22 GLN 42 2.514 5.146 -1.322 220 H VAL 43 H VAL 43 5.517 12.054 -2.276 221 HA VAL 43 HA VAL 43 7.007 12.159 -4.860 222 HB VAL 43 HB VAL 43 7.184 14.492 -4.799 223 HG11 VAL 43 HG21 VAL 43 4.500 13.787 -3.582 224 HG12 VAL 43 HG22 VAL 43 4.884 13.913 -5.299 225 HG13 VAL 43 HG23 VAL 43 4.880 15.359 -4.287 226 HG21 VAL 43 HG11 VAL 43 6.785 15.859 -2.806 227 HG22 VAL 43 HG12 VAL 43 7.968 14.601 -2.443 228 HG23 VAL 43 HG13 VAL 43 6.299 14.427 -1.898 229 H LEU 44 H LEU 44 9.313 12.670 -4.581 230 HA LEU 44 HA LEU 44 10.325 11.571 -2.021 231 HB2 LEU 44 HB2 LEU 44 11.161 10.657 -4.197 232 HB3 LEU 44 HB3 LEU 44 11.846 12.242 -4.558 233 HG LEU 44 HG LEU 44 12.751 11.689 -1.977 234 HD11 LEU 44 HD21 LEU 44 11.917 9.259 -2.910 235 HD12 LEU 44 HD22 LEU 44 13.232 9.472 -1.754 236 HD13 LEU 44 HD23 LEU 44 13.589 9.278 -3.470 237 HD21 LEU 44 HD11 LEU 44 14.234 12.743 -3.438 238 HD22 LEU 44 HD12 LEU 44 13.929 11.590 -4.738 239 HD23 LEU 44 HD13 LEU 44 14.919 11.119 -3.356 240 H ASN 45 H ASN 45 10.921 12.986 -0.460 241 HA ASN 45 HA ASN 45 11.211 15.823 -1.008 242 HB2 ASN 45 HB2 ASN 45 11.752 14.163 1.469 243 HB3 ASN 45 HB3 ASN 45 11.882 15.921 1.420 244 HD21 ASN 45 HD21 ASN 45 9.961 14.668 3.117 245 HD22 ASN 45 HD22 ASN 45 8.403 14.956 2.509 246 H MET 46 H MET 46 13.116 17.033 -1.064 247 HA MET 46 HA MET 46 15.419 16.054 -2.232 248 HB2 MET 46 HB2 MET 46 16.546 18.045 -1.512 249 HB3 MET 46 HB3 MET 46 14.853 18.482 -1.734 250 HG2 MET 46 HG2 MET 46 14.478 18.138 0.706 251 HG3 MET 46 HG3 MET 46 16.200 17.807 0.898 252 HE1 MET 46 HE1 MET 46 15.149 19.692 2.690 253 HE2 MET 46 HE2 MET 46 15.962 21.248 2.531 254 HE3 MET 46 HE3 MET 46 16.908 19.761 2.512 255 H TYR 47 H TYR 47 14.506 15.776 1.136 256 HA TYR 47 HA TYR 47 17.071 15.151 2.223 257 HB2 TYR 47 HB3 TYR 47 14.312 14.199 3.052 258 HB3 TYR 47 HB2 TYR 47 15.772 14.002 4.021 259 HD1 TYR 47 HD1 TYR 47 16.962 15.987 4.922 260 HD2 TYR 47 HD2 TYR 47 13.221 16.339 2.840 261 HE1 TYR 47 HE1 TYR 47 16.681 18.284 5.814 262 HE2 TYR 47 HE2 TYR 47 12.941 18.637 3.732 263 HH TYR 47 HH TYR 47 14.852 19.870 6.262 264 H GLY 48 H GLY 48 15.187 13.469 -0.041 265 HA2 GLY 48 HA3 GLY 48 15.898 11.484 -1.171 266 HA3 GLY 48 HA2 GLY 48 16.979 11.133 0.180 267 H LYS 49 H LYS 49 13.565 12.003 0.446 268 HA LYS 49 HA LYS 49 12.942 9.189 1.227 269 HB2 LYS 49 HB2 LYS 49 12.213 11.668 2.818 270 HB3 LYS 49 HB3 LYS 49 11.673 10.029 3.182 271 HG2 LYS 49 HG3 LYS 49 14.035 9.323 3.446 272 HG3 LYS 49 HG2 LYS 49 14.555 10.977 3.120 273 HD2 LYS 49 HD3 LYS 49 13.220 11.745 5.082 274 HD3 LYS 49 HD2 LYS 49 12.815 10.063 5.431 275 HE2 LYS 49 HE2 LYS 49 15.702 10.752 5.086 276 HE3 LYS 49 HE3 LYS 49 14.912 11.263 6.578 277 HZ1 LYS 49 HZ1 LYS 49 14.907 8.494 5.502 278 HZ2 LYS 49 HZ2 LYS 49 14.210 9.002 6.967 279 HZ3 LYS 49 HZ3 LYS 49 15.897 9.048 6.764 280 H VAL 50 H VAL 50 10.635 8.702 1.097 281 HA VAL 50 HA VAL 50 9.221 10.539 -0.791 282 HB VAL 50 HB VAL 50 8.734 7.582 -0.317 283 HG11 VAL 50 HG11 VAL 50 7.724 9.576 -2.364 284 HG12 VAL 50 HG12 VAL 50 6.767 8.689 -1.178 285 HG13 VAL 50 HG13 VAL 50 7.522 7.831 -2.521 286 HG21 VAL 50 HG21 VAL 50 10.997 8.381 -1.371 287 HG22 VAL 50 HG22 VAL 50 10.004 8.759 -2.778 288 HG23 VAL 50 HG23 VAL 50 10.082 7.104 -2.173 289 H VAL 51 H VAL 51 7.360 11.478 -0.078 290 HA VAL 51 HA VAL 51 5.968 10.252 2.260 291 HB VAL 51 HB VAL 51 6.567 13.208 1.917 292 HG11 VAL 51 HG11 VAL 51 4.939 11.593 3.863 293 HG12 VAL 51 HG12 VAL 51 4.537 13.120 3.078 294 HG13 VAL 51 HG13 VAL 51 5.710 13.088 4.394 295 HG21 VAL 51 HG21 VAL 51 7.543 11.600 4.233 296 HG22 VAL 51 HG22 VAL 51 8.286 12.985 3.433 297 HG23 VAL 51 HG23 VAL 51 8.378 11.387 2.695 298 H THR 52 H THR 52 3.734 10.317 2.095 299 HA THR 52 HA THR 52 2.602 11.015 -0.490 300 HB THR 52 HB THR 52 1.130 10.329 2.070 301 HG1 THR 52 HG1 THR 52 1.689 8.333 1.741 302 HG21 THR 52 HG21 THR 52 -0.557 9.465 0.428 303 HG22 THR 52 HG22 THR 52 0.414 10.162 -0.868 304 HG23 THR 52 HG23 THR 52 -0.324 11.211 0.342 305 H VAL 53 H VAL 53 1.301 12.790 -0.994 306 HA VAL 53 HA VAL 53 0.747 14.758 1.164 307 HB VAL 53 HB VAL 53 1.623 16.601 -0.189 308 HG11 VAL 53 HG21 VAL 53 3.261 15.751 1.293 309 HG12 VAL 53 HG22 VAL 53 4.085 15.803 -0.265 310 HG13 VAL 53 HG23 VAL 53 3.465 14.272 0.354 311 HG21 VAL 53 HG11 VAL 53 1.690 16.269 -2.423 312 HG22 VAL 53 HG12 VAL 53 1.632 14.517 -2.230 313 HG23 VAL 53 HG13 VAL 53 3.177 15.362 -2.150 314 H ARG 54 H ARG 54 -1.035 16.154 0.667 315 HA ARG 54 HA ARG 54 -2.993 14.969 -1.127 316 HB2 ARG 54 HB3 ARG 54 -3.026 17.579 0.418 317 HB3 ARG 54 HB2 ARG 54 -4.412 16.893 -0.430 318 HG2 ARG 54 HG2 ARG 54 -4.245 14.859 0.981 319 HG3 ARG 54 HG3 ARG 54 -2.894 15.587 1.851 320 HD2 ARG 54 HD2 ARG 54 -4.404 17.505 2.453 321 HD3 ARG 54 HD3 ARG 54 -5.742 16.619 1.724 322 HE ARG 54 HE ARG 54 -5.861 15.649 3.876 323 HH11 ARG 54 HH11 ARG 54 -4.509 13.331 3.688 324 HH12 ARG 54 HH12 ARG 54 -3.019 13.496 4.557 325 HH21 ARG 54 HH21 ARG 54 -3.116 16.963 4.590 326 HH22 ARG 54 HH22 ARG 54 -2.231 15.552 5.068 327 H HIS 55 H HIS 55 -3.925 16.027 -2.992 328 HA HIS 55 HA HIS 55 -2.177 17.000 -4.912 329 HB2 HIS 55 HB2 HIS 55 -4.541 16.364 -5.354 330 HB3 HIS 55 HB3 HIS 55 -5.069 17.860 -4.585 331 HD1 HIS 55 HD1 HIS 55 -2.670 16.851 -7.388 332 HD2 HIS 55 HD2 HIS 55 -5.328 19.911 -6.410 333 HE1 HIS 55 HE1 HIS 55 -2.690 18.439 -9.360 334 H GLN 56 H GLN 56 -3.932 18.891 -2.467 335 HA GLN 56 HA GLN 56 -2.952 21.441 -3.465 336 HB2 GLN 56 HB2 GLN 56 -4.165 20.672 -0.793 337 HB3 GLN 56 HB3 GLN 56 -3.848 22.327 -1.313 338 HG2 GLN 56 HG2 GLN 56 -5.364 22.056 -3.211 339 HG3 GLN 56 HG3 GLN 56 -5.625 20.363 -2.791 340 HE21 GLN 56 HE21 GLN 56 -7.790 22.268 -2.895 341 HE22 GLN 56 HE22 GLN 56 -8.387 22.473 -1.320 342 H ALA 57 H ALA 57 -1.651 18.946 -1.474 343 HA ALA 57 HA ALA 57 0.262 20.716 -0.113 344 HB1 ALA 57 HB1 ALA 57 -0.264 17.754 -0.132 345 HB2 ALA 57 HB2 ALA 57 -0.297 18.876 1.228 346 HB3 ALA 57 HB3 ALA 57 1.245 18.378 0.532 347 H VAL 58 H VAL 58 0.026 19.255 -3.155 348 HA VAL 58 HA VAL 58 2.997 19.224 -3.466 349 HB VAL 58 HB VAL 58 1.933 18.161 -5.802 350 HG11 VAL 58 HG11 VAL 58 3.279 17.187 -3.355 351 HG12 VAL 58 HG12 VAL 58 3.717 16.961 -5.048 352 HG13 VAL 58 HG13 VAL 58 2.475 15.945 -4.316 353 HG21 VAL 58 HG21 VAL 58 0.342 16.424 -5.009 354 HG22 VAL 58 HG22 VAL 58 -0.310 18.051 -4.817 355 HG23 VAL 58 HG23 VAL 58 0.328 17.187 -3.419 356 H THR 59 H THR 59 3.862 20.184 -5.454 357 HA THR 59 HA THR 59 2.057 22.240 -6.659 358 HB THR 59 HB THR 59 3.754 23.917 -6.490 359 HG1 THR 59 HG1 THR 59 5.790 23.421 -6.324 360 HG21 THR 59 HG21 THR 59 4.435 23.071 -3.851 361 HG22 THR 59 HG22 THR 59 2.787 22.538 -4.182 362 HG23 THR 59 HG23 THR 59 3.210 24.242 -4.337 363 H ARG 60 H ARG 60 3.187 23.168 -8.719 364 HA ARG 60 HA ARG 60 4.963 21.224 -10.057 365 HB2 ARG 60 HB2 ARG 60 3.475 20.842 -11.927 366 HB3 ARG 60 HB3 ARG 60 2.600 20.435 -10.451 367 HG2 ARG 60 HG2 ARG 60 1.651 22.779 -10.478 368 HG3 ARG 60 HG3 ARG 60 2.373 22.985 -12.073 369 HD2 ARG 60 HD2 ARG 60 1.107 20.968 -12.849 370 HD3 ARG 60 HD3 ARG 60 0.309 20.909 -11.278 371 HE ARG 60 HE ARG 60 0.064 23.491 -12.640 372 HH11 ARG 60 HH11 ARG 60 -2.206 23.859 -11.769 373 HH12 ARG 60 HH12 ARG 60 -3.379 22.738 -12.374 374 HH21 ARG 60 HH21 ARG 60 -1.014 20.509 -13.584 375 HH22 ARG 60 HH22 ARG 60 -2.705 20.841 -13.401 376 H LYS 61 H LYS 61 5.932 22.127 -11.988 377 HA LYS 61 HA LYS 61 5.596 25.095 -12.181 378 HB2 LYS 61 HB2 LYS 61 8.082 23.410 -12.609 379 HB3 LYS 61 HB3 LYS 61 7.983 25.148 -12.897 380 HG2 LYS 61 HG2 LYS 61 7.326 25.469 -10.513 381 HG3 LYS 61 HG3 LYS 61 7.540 23.739 -10.246 382 HD2 LYS 61 HD3 LYS 61 9.913 23.963 -11.008 383 HD3 LYS 61 HD2 LYS 61 9.675 25.707 -11.126 384 HE2 LYS 61 HE3 LYS 61 8.933 25.621 -8.675 385 HE3 LYS 61 HE2 LYS 61 9.579 23.980 -8.644 386 HZ1 LYS 61 HZ1 LYS 61 11.517 24.947 -8.189 387 HZ2 LYS 61 HZ2 LYS 61 10.966 26.491 -8.636 388 HZ3 LYS 61 HZ3 LYS 61 11.556 25.422 -9.817 389 H LYS 62 H LYS 62 5.593 25.991 -14.292 390 HA LYS 62 HA LYS 62 4.406 24.445 -16.350 391 HB2 LYS 62 HB2 LYS 62 5.990 27.025 -16.515 392 HB3 LYS 62 HB3 LYS 62 5.056 26.353 -17.851 393 HG2 LYS 62 HG2 LYS 62 3.035 26.377 -16.340 394 HG3 LYS 62 HG3 LYS 62 4.004 27.252 -15.154 395 HD2 LYS 62 HD2 LYS 62 4.453 28.998 -16.901 396 HD3 LYS 62 HD3 LYS 62 3.330 28.155 -17.969 397 HE2 LYS 62 HE2 LYS 62 1.942 28.414 -15.551 398 HE3 LYS 62 HE3 LYS 62 2.762 29.962 -15.759 399 HZ1 LYS 62 HZ1 LYS 62 1.872 29.550 -18.224 400 HZ2 LYS 62 HZ2 LYS 62 0.982 30.386 -17.043 401 HZ3 LYS 62 HZ3 LYS 62 0.658 28.748 -17.353 402 H ASP 63 H ASP 63 7.812 25.259 -15.751 403 HA ASP 63 HA ASP 63 8.703 22.897 -17.169 404 HB2 ASP 63 HB2 ASP 63 8.127 24.509 -19.049 405 HB3 ASP 63 HB3 ASP 63 9.421 25.545 -18.448 406 H ASN 64 H ASN 64 11.140 22.801 -17.172 407 HA ASN 64 HA ASN 64 12.357 24.681 -15.200 408 HB2 ASN 64 HB2 ASN 64 13.354 22.871 -13.968 409 HB3 ASN 64 HB3 ASN 64 11.635 22.503 -14.113 410 HD21 ASN 64 HD21 ASN 64 13.390 20.364 -13.673 411 HD22 ASN 64 HD22 ASN 64 13.531 19.434 -15.087 412 H ARG 65 H ARG 65 12.462 23.817 -18.248 413 HA ARG 65 HA ARG 65 15.102 22.856 -18.747 414 HB2 ARG 65 HB2 ARG 65 13.342 24.655 -20.443 415 HB3 ARG 65 HB3 ARG 65 14.790 23.828 -21.017 416 HG2 ARG 65 HG2 ARG 65 13.761 21.650 -20.411 417 HG3 ARG 65 HG3 ARG 65 12.301 22.497 -19.901 418 HD2 ARG 65 HD2 ARG 65 12.159 23.469 -22.229 419 HD3 ARG 65 HD3 ARG 65 13.482 22.398 -22.691 420 HE ARG 65 HE ARG 65 11.168 21.065 -21.454 421 HH11 ARG 65 HH11 ARG 65 13.455 20.878 -23.847 422 HH12 ARG 65 HH12 ARG 65 12.401 20.272 -25.079 423 HH21 ARG 65 HH21 ARG 65 9.509 20.803 -23.239 424 HH22 ARG 65 HH22 ARG 65 10.167 20.229 -24.736 425 H PHE 66 H PHE 66 13.878 26.040 -17.949 426 HA PHE 66 HA PHE 66 16.222 27.507 -18.791 427 HB2 PHE 66 HB2 PHE 66 15.278 29.361 -17.576 428 HB3 PHE 66 HB3 PHE 66 13.935 28.502 -18.329 429 HD1 PHE 66 HD1 PHE 66 12.489 26.995 -16.976 430 HD2 PHE 66 HD2 PHE 66 15.559 29.407 -15.183 431 HE1 PHE 66 HE1 PHE 66 11.467 26.638 -14.745 432 HE2 PHE 66 HE2 PHE 66 14.536 29.050 -12.952 433 HZ PHE 66 HZ PHE 66 12.489 27.666 -12.733 434 H ALA 67 H ALA 67 15.766 25.269 -16.327 435 HA ALA 67 HA ALA 67 17.405 26.498 -14.272 436 HB1 ALA 67 HB1 ALA 67 16.757 24.705 -13.057 437 HB2 ALA 67 HB2 ALA 67 17.394 23.579 -14.256 438 HB3 ALA 67 HB3 ALA 67 15.770 24.241 -14.443 439 H VAL 68 H VAL 68 19.545 26.874 -14.569 440 HA VAL 68 HA VAL 68 21.160 24.758 -15.917 441 HB VAL 68 HB VAL 68 20.772 26.608 -17.520 442 HG11 VAL 68 HG11 VAL 68 22.070 28.788 -16.819 443 HG12 VAL 68 HG12 VAL 68 21.774 28.206 -15.181 444 HG13 VAL 68 HG13 VAL 68 20.418 28.540 -16.258 445 HG21 VAL 68 HG21 VAL 68 22.891 25.427 -17.666 446 HG22 VAL 68 HG22 VAL 68 23.573 26.412 -16.372 447 HG23 VAL 68 HG23 VAL 68 23.192 27.144 -17.931 448 H ALA 69 H ALA 69 23.435 24.779 -15.240 449 HA ALA 69 HA ALA 69 24.108 26.472 -12.913 450 HB1 ALA 69 HB1 ALA 69 23.690 24.882 -11.374 451 HB2 ALA 69 HB2 ALA 69 24.868 23.836 -12.168 452 HB3 ALA 69 HB3 ALA 69 23.169 23.767 -12.639 453 H LEU 70 H LEU 70 26.363 26.667 -12.629 454 HA LEU 70 HA LEU 70 27.976 25.545 -14.865 455 HB2 LEU 70 HB2 LEU 70 27.929 28.051 -14.369 456 HB3 LEU 70 HB3 LEU 70 28.813 27.681 -12.889 457 HG LEU 70 HG LEU 70 30.270 28.321 -14.862 458 HD11 LEU 70 HD21 LEU 70 30.668 26.471 -12.864 459 HD12 LEU 70 HD22 LEU 70 31.921 27.046 -13.963 460 HD13 LEU 70 HD23 LEU 70 31.070 25.541 -14.309 461 HD21 LEU 70 HD11 LEU 70 30.538 26.784 -16.680 462 HD22 LEU 70 HD12 LEU 70 28.802 27.039 -16.505 463 HD23 LEU 70 HD13 LEU 70 29.544 25.565 -15.882 464 H ASP 71 H ASP 71 29.541 24.028 -14.457 465 HA ASP 71 HA ASP 71 29.772 22.986 -11.724 466 HB2 ASP 71 HB3 ASP 71 29.722 21.587 -13.888 467 HB3 ASP 71 HB2 ASP 71 31.396 22.095 -14.106 468 H SER 72 H SER 72 31.386 23.501 -10.324 469 HA SER 72 HA SER 72 33.162 25.629 -10.667 470 HB2 SER 72 HB2 SER 72 34.361 24.794 -8.740 471 HB3 SER 72 HB3 SER 72 32.650 24.443 -8.501 472 HG SER 72 HG SER 72 33.131 22.419 -8.455 473 H GLU 73 H GLU 73 33.405 22.413 -11.947 474 HA GLU 73 HA GLU 73 36.290 22.653 -12.491 475 HB2 GLU 73 HB2 GLU 73 34.285 20.567 -13.404 476 HB3 GLU 73 HB3 GLU 73 36.037 20.455 -13.564 477 HG2 GLU 73 HG2 GLU 73 36.268 20.561 -11.106 478 HG3 GLU 73 HG3 GLU 73 34.515 20.669 -10.948 479 H GLN 74 H GLN 74 34.262 24.568 -13.677 480 HA GLN 74 HA GLN 74 33.984 25.668 -15.726 481 HB2 GLN 74 HB3 GLN 74 36.342 23.920 -16.500 482 HB3 GLN 74 HB2 GLN 74 35.740 25.288 -17.439 483 HG2 GLN 74 HG2 GLN 74 36.190 26.797 -15.544 484 HG3 GLN 74 HG3 GLN 74 36.769 25.434 -14.587 485 HE21 GLN 74 HE21 GLN 74 38.539 27.564 -15.077 486 HE22 GLN 74 HE22 GLN 74 39.737 27.073 -16.174 487 H ASN 75 H ASN 75 32.359 23.384 -15.204 488 HA ASN 75 HA ASN 75 32.017 22.359 -17.996 489 HB2 ASN 75 HB2 ASN 75 31.361 20.824 -15.466 490 HB3 ASN 75 HB3 ASN 75 31.292 20.222 -17.121 491 HD21 ASN 75 HD21 ASN 75 32.922 18.840 -15.317 492 HD22 ASN 75 HD22 ASN 75 34.553 19.116 -15.699 493 H ASN 76 H ASN 76 29.898 22.369 -18.773 494 HA ASN 76 HA ASN 76 27.996 24.007 -17.236 495 HB2 ASN 76 HB2 ASN 76 27.802 22.779 -20.003 496 HB3 ASN 76 HB3 ASN 76 26.627 23.894 -19.305 497 HD21 ASN 76 HD21 ASN 76 28.041 24.587 -21.685 498 HD22 ASN 76 HD22 ASN 76 29.063 25.894 -21.326 499 H ILE 77 H ILE 77 26.075 23.255 -16.353 500 HA ILE 77 HA ILE 77 25.554 20.319 -16.603 501 HB ILE 77 HB ILE 77 25.151 22.044 -14.139 502 HG12 ILE 77 HG12 ILE 77 27.180 19.845 -14.626 503 HG13 ILE 77 HG13 ILE 77 27.552 21.565 -14.742 504 HG21 ILE 77 HG21 ILE 77 24.230 19.393 -14.953 505 HG22 ILE 77 HG22 ILE 77 23.723 20.382 -13.584 506 HG23 ILE 77 HG23 ILE 77 25.145 19.348 -13.446 507 HD11 ILE 77 HD11 ILE 77 27.125 21.924 -12.434 508 HD12 ILE 77 HD12 ILE 77 28.040 20.417 -12.487 509 HD13 ILE 77 HD13 ILE 77 26.291 20.379 -12.267 510 H HIS 78 H HIS 78 23.419 19.767 -17.011 511 HA HIS 78 HA HIS 78 21.443 22.016 -17.009 512 HB2 HIS 78 HB2 HIS 78 21.703 19.745 -19.003 513 HB3 HIS 78 HB3 HIS 78 20.396 20.930 -18.988 514 HD1 HIS 78 HD1 HIS 78 23.979 20.489 -19.910 515 HD2 HIS 78 HD2 HIS 78 21.218 23.605 -19.705 516 HE1 HIS 78 HE1 HIS 78 25.010 22.442 -21.150 517 H VAL 79 H VAL 79 19.273 21.428 -16.466 518 HA VAL 79 HA VAL 79 18.988 19.473 -14.425 519 HB VAL 79 HB VAL 79 17.410 21.286 -14.541 520 HG11 VAL 79 HG21 VAL 79 17.486 21.778 -16.910 521 HG12 VAL 79 HG22 VAL 79 15.810 21.419 -16.491 522 HG13 VAL 79 HG23 VAL 79 16.794 20.204 -17.306 523 HG21 VAL 79 HG11 VAL 79 15.464 20.100 -14.106 524 HG22 VAL 79 HG12 VAL 79 16.649 18.797 -14.019 525 HG23 VAL 79 HG13 VAL 79 15.691 19.022 -15.482 526 H LYS 80 H LYS 80 18.686 19.244 -17.903 527 HA LYS 80 HA LYS 80 17.800 16.403 -17.593 528 HB2 LYS 80 HB2 LYS 80 17.154 16.662 -20.053 529 HB3 LYS 80 HB3 LYS 80 16.182 17.580 -18.903 530 HG2 LYS 80 HG2 LYS 80 17.516 19.591 -19.349 531 HG3 LYS 80 HG3 LYS 80 18.546 18.681 -20.454 532 HD2 LYS 80 HD2 LYS 80 16.303 18.111 -21.673 533 HD3 LYS 80 HD3 LYS 80 15.672 19.505 -20.797 534 HE2 LYS 80 HE2 LYS 80 18.242 20.156 -21.936 535 HE3 LYS 80 HE3 LYS 80 17.178 19.524 -23.193 536 HZ1 LYS 80 HZ1 LYS 80 17.155 22.059 -22.291 537 HZ2 LYS 80 HZ2 LYS 80 15.901 21.365 -21.379 538 HZ3 LYS 80 HZ3 LYS 80 15.856 21.303 -23.076 539 H ASP 81 H ASP 81 20.063 15.789 -17.210 540 HA ASP 81 HA ASP 81 21.452 15.216 -19.724 541 HB2 ASP 81 HB2 ASP 81 22.133 17.600 -18.785 542 HB3 ASP 81 HB3 ASP 81 23.125 16.641 -17.686 543 H ILE 82 H ILE 82 23.824 14.288 -18.864 544 HA ILE 82 HA ILE 82 23.064 12.305 -16.760 545 HB ILE 82 HB ILE 82 25.138 12.044 -18.959 546 HG12 ILE 82 HG12 ILE 82 22.380 10.806 -18.701 547 HG13 ILE 82 HG13 ILE 82 22.811 12.102 -19.817 548 HG21 ILE 82 HG21 ILE 82 24.937 9.592 -18.257 549 HG22 ILE 82 HG22 ILE 82 24.094 10.176 -16.822 550 HG23 ILE 82 HG23 ILE 82 25.764 10.655 -17.118 551 HD11 ILE 82 HD11 ILE 82 24.086 9.349 -19.769 552 HD12 ILE 82 HD12 ILE 82 24.452 10.641 -20.913 553 HD13 ILE 82 HD13 ILE 82 22.862 9.878 -20.924 554 H VAL 83 H VAL 83 24.220 12.376 -14.891 555 HA VAL 83 HA VAL 83 26.875 13.752 -14.949 556 HB VAL 83 HB VAL 83 24.999 15.099 -13.875 557 HG11 VAL 83 HG11 VAL 83 25.276 13.180 -11.572 558 HG12 VAL 83 HG12 VAL 83 24.068 12.897 -12.825 559 HG13 VAL 83 HG13 VAL 83 24.016 14.377 -11.868 560 HG21 VAL 83 HG21 VAL 83 27.365 14.230 -12.188 561 HG22 VAL 83 HG22 VAL 83 26.380 15.656 -11.864 562 HG23 VAL 83 HG23 VAL 83 27.333 15.560 -13.345 563 H LYS 84 H LYS 84 28.456 12.867 -13.519 564 HA LYS 84 HA LYS 84 27.731 10.167 -12.452 565 HB2 LYS 84 HB2 LYS 84 30.381 11.196 -13.513 566 HB3 LYS 84 HB3 LYS 84 30.150 9.613 -12.769 567 HG2 LYS 84 HG2 LYS 84 28.400 9.121 -14.501 568 HG3 LYS 84 HG3 LYS 84 28.807 10.648 -15.285 569 HD2 LYS 84 HD2 LYS 84 31.172 9.850 -15.494 570 HD3 LYS 84 HD3 LYS 84 30.667 8.295 -14.836 571 HE2 LYS 84 HE2 LYS 84 29.035 8.065 -16.700 572 HE3 LYS 84 HE3 LYS 84 29.619 9.587 -17.373 573 HZ1 LYS 84 HZ1 LYS 84 31.020 8.255 -18.480 574 HZ2 LYS 84 HZ2 LYS 84 30.842 6.965 -17.388 575 HZ3 LYS 84 HZ3 LYS 84 31.903 8.243 -17.032 576 H VAL 85 H VAL 85 28.883 9.533 -10.465 577 HA VAL 85 HA VAL 85 29.416 11.911 -8.745 578 HB VAL 85 HB VAL 85 28.905 9.080 -7.808 579 HG11 VAL 85 HG21 VAL 85 29.871 11.096 -6.382 580 HG12 VAL 85 HG22 VAL 85 28.646 10.025 -5.700 581 HG13 VAL 85 HG23 VAL 85 28.180 11.597 -6.350 582 HG21 VAL 85 HG11 VAL 85 26.828 9.334 -8.690 583 HG22 VAL 85 HG12 VAL 85 27.056 11.063 -8.957 584 HG23 VAL 85 HG13 VAL 85 26.571 10.472 -7.367 585 H ILE 86 H ILE 86 31.581 12.319 -8.726 586 HA ILE 86 HA ILE 86 33.403 10.005 -8.209 587 HB ILE 86 HB ILE 86 34.034 12.437 -9.908 588 HG12 ILE 86 HG12 ILE 86 33.634 9.568 -10.794 589 HG13 ILE 86 HG13 ILE 86 32.377 10.800 -10.904 590 HG21 ILE 86 HG21 ILE 86 36.019 10.946 -10.521 591 HG22 ILE 86 HG22 ILE 86 35.564 9.942 -9.144 592 HG23 ILE 86 HG23 ILE 86 36.038 11.621 -8.892 593 HD11 ILE 86 HD11 ILE 86 34.954 11.683 -11.997 594 HD12 ILE 86 HD12 ILE 86 33.343 11.774 -12.708 595 HD13 ILE 86 HD13 ILE 86 34.283 10.289 -12.843 596 H ASP 87 H ASP 87 32.063 12.555 -6.783 597 HA ASP 87 HA ASP 87 34.564 13.236 -5.290 598 HB2 ASP 87 HB2 ASP 87 32.301 15.012 -6.197 599 HB3 ASP 87 HB3 ASP 87 33.310 15.457 -4.822 600 H GLY 88 H GLY 88 34.360 13.288 -3.032 601 HA2 GLY 88 HA2 GLY 88 33.271 13.092 -0.932 602 HA3 GLY 88 HA3 GLY 88 31.721 13.059 -1.774 603 HA PRO 89 HA PRO 89 32.856 8.713 -0.307 604 HB2 PRO 89 HB2 PRO 89 30.598 8.295 1.116 605 HB3 PRO 89 HB3 PRO 89 32.045 9.031 1.807 606 HG2 PRO 89 HG2 PRO 89 29.544 10.336 0.809 607 HG3 PRO 89 HG3 PRO 89 30.484 10.697 2.259 608 HD2 PRO 89 HD2 PRO 89 30.674 12.184 0.003 609 HD3 PRO 89 HD3 PRO 89 32.037 11.951 1.099 610 H HIS 90 H HIS 90 30.325 10.278 -2.024 611 HA HIS 90 HA HIS 90 28.983 7.763 -2.788 612 HB2 HIS 90 HB2 HIS 90 28.573 10.603 -3.779 613 HB3 HIS 90 HB3 HIS 90 27.536 9.226 -4.149 614 HD1 HIS 90 HD1 HIS 90 28.553 11.488 -1.307 615 HD2 HIS 90 HD2 HIS 90 25.778 8.471 -2.064 616 HE1 HIS 90 HE1 HIS 90 26.955 11.475 0.658 617 H SER 91 H SER 91 31.592 9.706 -3.810 618 HA SER 91 HA SER 91 31.733 9.615 -6.543 619 HB2 SER 91 HB2 SER 91 34.036 9.776 -6.322 620 HB3 SER 91 HB3 SER 91 33.529 10.189 -4.682 621 HG SER 91 HG SER 91 34.042 8.184 -4.002 622 H GLY 92 H GLY 92 32.353 8.056 -8.128 623 HA2 GLY 92 HA2 GLY 92 32.927 5.837 -8.867 624 HA3 GLY 92 HA3 GLY 92 32.590 5.236 -7.244 625 H ARG 93 H ARG 93 30.114 7.308 -7.992 626 HA ARG 93 HA ARG 93 28.461 5.051 -9.065 627 HB2 ARG 93 HB2 ARG 93 27.717 7.290 -7.163 628 HB3 ARG 93 HB3 ARG 93 26.543 6.196 -7.896 629 HG2 ARG 93 HG2 ARG 93 27.869 4.272 -6.928 630 HG3 ARG 93 HG3 ARG 93 28.826 5.461 -6.044 631 HD2 ARG 93 HD2 ARG 93 27.079 4.722 -4.560 632 HD3 ARG 93 HD3 ARG 93 26.649 6.348 -5.090 633 HE ARG 93 HE ARG 93 25.361 3.838 -6.054 634 HH11 ARG 93 HH11 ARG 93 24.681 6.734 -4.645 635 HH12 ARG 93 HH12 ARG 93 23.496 7.252 -5.796 636 HH21 ARG 93 HH21 ARG 93 24.209 4.728 -8.064 637 HH22 ARG 93 HH22 ARG 93 23.228 6.117 -7.731 638 H GLU 94 H GLU 94 27.170 5.486 -10.841 639 HA GLU 94 HA GLU 94 27.378 8.252 -11.960 640 HB2 GLU 94 HB2 GLU 94 26.917 5.637 -13.431 641 HB3 GLU 94 HB3 GLU 94 27.112 7.226 -14.172 642 HG2 GLU 94 HG3 GLU 94 29.287 6.445 -14.331 643 HG3 GLU 94 HG2 GLU 94 29.361 7.226 -12.751 644 H GLY 95 H GLY 95 25.465 9.200 -12.800 645 HA2 GLY 95 HA2 GLY 95 22.941 7.697 -12.682 646 HA3 GLY 95 HA3 GLY 95 23.082 9.006 -11.509 647 H GLU 96 H GLU 96 21.084 9.471 -13.129 648 HA GLU 96 HA GLU 96 22.145 11.194 -15.333 649 HB2 GLU 96 HB2 GLU 96 19.443 9.850 -15.025 650 HB3 GLU 96 HB3 GLU 96 19.861 10.962 -16.329 651 HG2 GLU 96 HG2 GLU 96 21.774 9.442 -16.921 652 HG3 GLU 96 HG3 GLU 96 21.174 8.298 -15.720 653 H ILE 97 H ILE 97 21.293 13.321 -15.513 654 HA ILE 97 HA ILE 97 20.278 14.410 -12.963 655 HB ILE 97 HB ILE 97 21.117 15.765 -15.545 656 HG12 ILE 97 HG12 ILE 97 22.481 15.615 -12.841 657 HG13 ILE 97 HG13 ILE 97 22.925 14.635 -14.238 658 HG21 ILE 97 HG21 ILE 97 21.150 17.499 -13.275 659 HG22 ILE 97 HG22 ILE 97 19.561 16.738 -13.352 660 HG23 ILE 97 HG23 ILE 97 20.173 17.640 -14.737 661 HD11 ILE 97 HD11 ILE 97 24.182 16.325 -15.032 662 HD12 ILE 97 HD12 ILE 97 23.761 17.293 -13.620 663 HD13 ILE 97 HD13 ILE 97 22.763 17.371 -15.071 664 H ARG 98 H ARG 98 18.095 14.224 -12.708 665 HA ARG 98 HA ARG 98 16.324 14.483 -15.070 666 HB2 ARG 98 HB2 ARG 98 15.953 12.661 -13.379 667 HB3 ARG 98 HB3 ARG 98 15.588 13.907 -12.185 668 HG2 ARG 98 HG2 ARG 98 13.475 13.216 -13.067 669 HG3 ARG 98 HG3 ARG 98 13.829 14.768 -13.829 670 HD2 ARG 98 HD2 ARG 98 14.744 13.563 -15.801 671 HD3 ARG 98 HD3 ARG 98 14.306 12.030 -15.046 672 HE ARG 98 HE ARG 98 11.973 13.645 -15.128 673 HH11 ARG 98 HH11 ARG 98 13.112 10.921 -16.484 674 HH12 ARG 98 HH12 ARG 98 12.451 11.158 -18.068 675 HH21 ARG 98 HH21 ARG 98 11.581 14.465 -17.498 676 HH22 ARG 98 HH22 ARG 98 11.584 13.164 -18.641 677 H HIS 99 H HIS 99 16.198 15.771 -11.724 678 HA HIS 99 HA HIS 99 15.204 18.333 -12.912 679 HB2 HIS 99 HB2 HIS 99 14.824 17.656 -10.015 680 HB3 HIS 99 HB3 HIS 99 13.824 18.655 -11.067 681 HD1 HIS 99 HD1 HIS 99 12.698 17.149 -13.153 682 HD2 HIS 99 HD2 HIS 99 13.712 15.159 -9.633 683 HE1 HIS 99 HE1 HIS 99 11.384 14.983 -13.150 684 H LEU 100 H LEU 100 16.110 20.292 -12.078 685 HA LEU 100 HA LEU 100 18.673 19.871 -10.596 686 HB2 LEU 100 HB2 LEU 100 18.924 20.676 -12.948 687 HB3 LEU 100 HB3 LEU 100 17.984 22.106 -12.525 688 HG LEU 100 HG LEU 100 19.958 21.897 -10.530 689 HD11 LEU 100 HD21 LEU 100 22.043 21.874 -11.885 690 HD12 LEU 100 HD22 LEU 100 21.093 21.457 -13.311 691 HD13 LEU 100 HD23 LEU 100 21.194 20.329 -11.959 692 HD21 LEU 100 HD11 LEU 100 20.042 23.639 -13.007 693 HD22 LEU 100 HD12 LEU 100 20.683 24.017 -11.408 694 HD23 LEU 100 HD13 LEU 100 18.941 23.930 -11.660 695 H PHE 101 H PHE 101 18.840 20.874 -8.655 696 HA PHE 101 HA PHE 101 16.800 22.959 -7.990 697 HB2 PHE 101 HB2 PHE 101 16.677 20.872 -6.628 698 HB3 PHE 101 HB3 PHE 101 18.340 21.144 -6.105 699 HD1 PHE 101 HD1 PHE 101 18.841 22.663 -4.348 700 HD2 PHE 101 HD2 PHE 101 14.920 22.633 -6.103 701 HE1 PHE 101 HE1 PHE 101 18.031 24.184 -2.565 702 HE2 PHE 101 HE2 PHE 101 14.109 24.153 -4.320 703 HZ PHE 101 HZ PHE 101 15.664 24.929 -2.551 704 H ARG 102 H ARG 102 17.633 24.612 -6.382 705 HA ARG 102 HA ARG 102 19.680 26.178 -7.291 706 HB2 ARG 102 HB2 ARG 102 18.297 26.889 -5.422 707 HB3 ARG 102 HB3 ARG 102 19.005 25.651 -4.383 708 HG2 ARG 102 HG2 ARG 102 21.229 26.715 -4.659 709 HG3 ARG 102 HG3 ARG 102 20.493 27.970 -5.657 710 HD2 ARG 102 HD2 ARG 102 19.000 28.551 -3.730 711 HD3 ARG 102 HD3 ARG 102 19.881 27.384 -2.745 712 HE ARG 102 HE ARG 102 21.799 29.131 -3.868 713 HH11 ARG 102 HH11 ARG 102 22.374 29.169 -1.254 714 HH12 ARG 102 HH12 ARG 102 21.537 30.498 -0.523 715 HH21 ARG 102 HH21 ARG 102 19.295 30.870 -3.141 716 HH22 ARG 102 HH22 ARG 102 19.794 31.461 -1.591 717 H SER 103 H SER 103 20.493 24.482 -4.286 718 HA SER 103 HA SER 103 23.186 23.959 -5.449 719 HB2 SER 103 HB3 SER 103 23.856 23.615 -3.053 720 HB3 SER 103 HB2 SER 103 23.234 25.232 -3.381 721 HG SER 103 HG SER 103 21.885 24.812 -1.844 722 H PHE 104 H PHE 104 20.717 22.295 -5.905 723 HA PHE 104 HA PHE 104 21.973 19.709 -5.224 724 HB2 PHE 104 HB2 PHE 104 19.156 20.444 -4.371 725 HB3 PHE 104 HB3 PHE 104 19.835 18.818 -4.301 726 HD1 PHE 104 HD1 PHE 104 21.427 18.191 -2.609 727 HD2 PHE 104 HD2 PHE 104 20.095 22.259 -2.952 728 HE1 PHE 104 HE1 PHE 104 22.464 18.714 -0.417 729 HE2 PHE 104 HE2 PHE 104 21.130 22.784 -0.761 730 HZ PHE 104 HZ PHE 104 22.316 21.012 0.506 731 H ALA 105 H ALA 105 20.979 17.929 -6.472 732 HA ALA 105 HA ALA 105 19.256 18.841 -8.726 733 HB1 ALA 105 HB1 ALA 105 21.157 16.905 -9.681 734 HB2 ALA 105 HB2 ALA 105 22.027 18.254 -8.946 735 HB3 ALA 105 HB3 ALA 105 20.882 18.551 -10.255 736 H PHE 106 H PHE 106 17.751 17.286 -9.353 737 HA PHE 106 HA PHE 106 17.521 14.930 -7.609 738 HB2 PHE 106 HB2 PHE 106 15.796 16.120 -9.779 739 HB3 PHE 106 HB3 PHE 106 15.439 14.542 -9.081 740 HD1 PHE 106 HD1 PHE 106 15.649 18.164 -8.421 741 HD2 PHE 106 HD2 PHE 106 14.733 14.309 -6.765 742 HE1 PHE 106 HE1 PHE 106 14.581 19.258 -6.469 743 HE2 PHE 106 HE2 PHE 106 13.668 15.401 -4.812 744 HZ PHE 106 HZ PHE 106 13.589 17.873 -4.667 745 H LEU 107 H LEU 107 18.583 13.091 -8.123 746 HA LEU 107 HA LEU 107 19.367 12.609 -10.942 747 HB2 LEU 107 HB3 LEU 107 20.093 11.192 -8.360 748 HB3 LEU 107 HB2 LEU 107 20.688 10.720 -9.952 749 HG LEU 107 HG LEU 107 22.358 12.142 -8.924 750 HD11 LEU 107 HD21 LEU 107 20.891 13.989 -10.801 751 HD12 LEU 107 HD22 LEU 107 21.599 12.485 -11.390 752 HD13 LEU 107 HD23 LEU 107 22.627 13.715 -10.655 753 HD21 LEU 107 HD11 LEU 107 20.526 14.486 -8.772 754 HD22 LEU 107 HD12 LEU 107 21.901 14.066 -7.750 755 HD23 LEU 107 HD13 LEU 107 20.352 13.255 -7.521 756 H HIS 108 H HIS 108 18.672 10.773 -12.099 757 HA HIS 108 HA HIS 108 16.451 9.231 -10.816 758 HB2 HIS 108 HB2 HIS 108 15.526 10.697 -12.518 759 HB3 HIS 108 HB3 HIS 108 16.729 10.156 -13.690 760 HD1 HIS 108 HD1 HIS 108 15.557 8.683 -15.327 761 HD2 HIS 108 HD2 HIS 108 14.281 7.953 -11.426 762 HE1 HIS 108 HE1 HIS 108 13.939 6.739 -15.454 763 H CYS 109 H CYS 109 16.636 7.021 -10.927 764 HA CYS 109 HA CYS 109 18.681 5.891 -12.787 765 HB2 CYS 109 HB2 CYS 109 18.534 5.687 -9.819 766 HB3 CYS 109 HB3 CYS 109 18.948 4.213 -10.696 767 HG CYS 109 HG CYS 109 20.702 6.218 -11.878 768 H LYS 110 H LYS 110 17.457 4.658 -14.143 769 HA LYS 110 HA LYS 110 14.897 3.576 -13.532 770 HB2 LYS 110 HB3 LYS 110 16.948 2.651 -15.568 771 HB3 LYS 110 HB2 LYS 110 15.259 2.144 -15.538 772 HG2 LYS 110 HG2 LYS 110 14.578 4.537 -15.745 773 HG3 LYS 110 HG3 LYS 110 16.280 4.980 -15.884 774 HD2 LYS 110 HD2 LYS 110 16.461 3.478 -17.875 775 HD3 LYS 110 HD3 LYS 110 14.727 3.176 -17.764 776 HE2 LYS 110 HE3 LYS 110 14.687 4.942 -19.248 777 HE3 LYS 110 HE2 LYS 110 14.657 5.853 -17.739 778 HZ1 LYS 110 HZ1 LYS 110 16.625 5.853 -19.747 779 HZ2 LYS 110 HZ2 LYS 110 17.316 5.274 -18.308 780 HZ3 LYS 110 HZ3 LYS 110 16.553 6.791 -18.336 781 H LYS 111 H LYS 111 18.150 2.302 -13.067 782 HA LYS 111 HA LYS 111 17.546 -0.417 -12.590 783 HB2 LYS 111 HB2 LYS 111 19.852 0.546 -12.693 784 HB3 LYS 111 HB3 LYS 111 19.587 1.267 -11.106 785 HG2 LYS 111 HG2 LYS 111 20.729 -0.797 -10.706 786 HG3 LYS 111 HG3 LYS 111 19.043 -1.087 -10.277 787 HD2 LYS 111 HD2 LYS 111 18.643 -2.105 -12.479 788 HD3 LYS 111 HD3 LYS 111 20.313 -1.778 -12.946 789 HE2 LYS 111 HE2 LYS 111 20.508 -3.111 -10.488 790 HE3 LYS 111 HE3 LYS 111 19.242 -3.971 -11.362 791 HZ1 LYS 111 HZ1 LYS 111 21.630 -3.254 -12.869 792 HZ2 LYS 111 HZ2 LYS 111 20.668 -4.652 -12.956 793 HZ3 LYS 111 HZ3 LYS 111 21.807 -4.477 -11.707 794 H LEU 112 H LEU 112 17.209 2.403 -10.482 795 HA LEU 112 HA LEU 112 16.340 0.701 -8.230 796 HB2 LEU 112 HB3 LEU 112 17.753 2.811 -7.961 797 HB3 LEU 112 HB2 LEU 112 16.300 3.722 -8.372 798 HG LEU 112 HG LEU 112 16.129 1.626 -6.235 799 HD11 LEU 112 HD11 LEU 112 17.305 4.401 -5.909 800 HD12 LEU 112 HD12 LEU 112 18.104 2.867 -5.564 801 HD13 LEU 112 HD13 LEU 112 16.751 3.401 -4.566 802 HD21 LEU 112 HD21 LEU 112 14.884 4.281 -5.928 803 HD22 LEU 112 HD22 LEU 112 14.171 2.677 -5.752 804 HD23 LEU 112 HD23 LEU 112 14.348 3.392 -7.353 805 H VAL 113 H VAL 113 14.220 0.246 -7.840 806 HA VAL 113 HA VAL 113 12.165 1.943 -9.200 807 HB VAL 113 HB VAL 113 11.902 -1.037 -8.744 808 HG11 VAL 113 HG11 VAL 113 9.958 -0.876 -10.030 809 HG12 VAL 113 HG12 VAL 113 10.484 0.613 -10.816 810 HG13 VAL 113 HG13 VAL 113 9.921 0.649 -9.145 811 HG21 VAL 113 HG21 VAL 113 12.656 -1.444 -10.948 812 HG22 VAL 113 HG22 VAL 113 13.827 -0.291 -10.306 813 HG23 VAL 113 HG23 VAL 113 12.550 0.260 -11.390 814 H GLU 114 H GLU 114 13.395 0.990 -6.283 815 HA GLU 114 HA GLU 114 11.100 0.321 -4.738 816 HB2 GLU 114 HB2 GLU 114 13.607 1.834 -3.941 817 HB3 GLU 114 HB3 GLU 114 12.425 1.184 -2.804 818 HG2 GLU 114 HG3 GLU 114 13.994 -0.443 -4.829 819 HG3 GLU 114 HG2 GLU 114 14.331 -0.367 -3.099 820 H ASN 115 H ASN 115 12.429 3.464 -5.716 821 HA ASN 115 HA ASN 115 9.844 4.690 -4.885 822 HB2 ASN 115 HB3 ASN 115 12.573 5.893 -4.330 823 HB3 ASN 115 HB2 ASN 115 11.016 6.618 -3.932 824 HD21 ASN 115 HD21 ASN 115 9.593 4.495 -2.844 825 HD22 ASN 115 HD22 ASN 115 10.370 3.953 -1.436 826 H GLY 116 H GLY 116 11.171 3.886 -7.485 827 HA2 GLY 116 HA3 GLY 116 10.856 4.850 -9.647 828 HA3 GLY 116 HA2 GLY 116 10.623 6.423 -8.884 829 H GLY 117 H GLY 117 13.316 4.941 -7.544 830 HA2 GLY 117 HA2 GLY 117 15.614 5.347 -7.767 831 HA3 GLY 117 HA3 GLY 117 15.333 5.368 -9.507 832 H MET 118 H MET 118 13.762 7.567 -7.242 833 HA MET 118 HA MET 118 15.173 9.812 -8.609 834 HB2 MET 118 HB2 MET 118 12.583 9.778 -7.026 835 HB3 MET 118 HB3 MET 118 13.294 11.210 -7.769 836 HG2 MET 118 HG2 MET 118 12.425 8.702 -9.240 837 HG3 MET 118 HG3 MET 118 11.559 10.239 -9.229 838 HE1 MET 118 HE1 MET 118 14.014 12.717 -10.612 839 HE2 MET 118 HE2 MET 118 12.794 12.329 -9.402 840 HE3 MET 118 HE3 MET 118 12.354 12.355 -11.108 841 H PHE 119 H PHE 119 16.767 10.760 -7.452 842 HA PHE 119 HA PHE 119 16.410 11.237 -4.567 843 HB2 PHE 119 HB2 PHE 119 18.548 10.178 -3.960 844 HB3 PHE 119 HB3 PHE 119 17.451 8.986 -4.654 845 HD1 PHE 119 HD1 PHE 119 17.712 8.316 -7.069 846 HD2 PHE 119 HD2 PHE 119 20.613 10.733 -5.022 847 HE1 PHE 119 HE1 PHE 119 19.379 7.808 -8.833 848 HE2 PHE 119 HE2 PHE 119 22.280 10.225 -6.786 849 HZ PHE 119 HZ PHE 119 21.664 8.763 -8.692 850 H VAL 120 H VAL 120 17.652 13.028 -3.884 851 HA VAL 120 HA VAL 120 18.891 14.548 -6.104 852 HB VAL 120 HB VAL 120 18.973 16.373 -4.301 853 HG11 VAL 120 HG21 VAL 120 16.693 16.979 -4.704 854 HG12 VAL 120 HG22 VAL 120 16.218 15.294 -4.918 855 HG13 VAL 120 HG23 VAL 120 17.225 16.086 -6.129 856 HG21 VAL 120 HG11 VAL 120 18.724 14.656 -2.434 857 HG22 VAL 120 HG12 VAL 120 17.034 14.507 -2.914 858 HG23 VAL 120 HG13 VAL 120 17.650 16.052 -2.325 859 H CYS 121 H CYS 121 20.964 15.673 -5.679 860 HA CYS 121 HA CYS 121 22.683 14.482 -3.591 861 HB2 CYS 121 HB3 CYS 121 22.696 13.392 -6.146 862 HB3 CYS 121 HB2 CYS 121 24.043 14.530 -6.187 863 HG CYS 121 HG CYS 121 24.493 11.979 -5.084 864 H LYS 122 H LYS 122 24.822 15.689 -3.520 865 HA LYS 122 HA LYS 122 24.299 18.541 -3.948 866 HB2 LYS 122 HB3 LYS 122 25.509 17.452 -1.922 867 HB3 LYS 122 HB2 LYS 122 26.913 17.384 -2.990 868 HG2 LYS 122 HG2 LYS 122 26.668 19.835 -3.401 869 HG3 LYS 122 HG3 LYS 122 25.343 19.870 -2.237 870 HD2 LYS 122 HD3 LYS 122 26.869 19.039 -0.479 871 HD3 LYS 122 HD2 LYS 122 28.192 19.010 -1.644 872 HE2 LYS 122 HE2 LYS 122 28.592 21.191 -1.253 873 HE3 LYS 122 HE3 LYS 122 26.951 21.588 -1.760 874 HZ1 LYS 122 HZ1 LYS 122 27.503 22.262 0.549 875 HZ2 LYS 122 HZ2 LYS 122 27.650 20.619 0.955 876 HZ3 LYS 122 HZ3 LYS 122 26.154 21.239 0.437 877 H THR 123 H THR 123 24.683 19.397 -5.920 878 HA THR 123 HA THR 123 25.960 18.301 -8.103 879 HB THR 123 HB THR 123 26.325 20.565 -8.934 880 HG1 THR 123 HG1 THR 123 26.422 22.265 -7.599 881 HG21 THR 123 HG21 THR 123 23.979 19.676 -8.681 882 HG22 THR 123 HG22 THR 123 24.091 21.437 -8.682 883 HG23 THR 123 HG23 THR 123 23.870 20.567 -7.164 884 H ARG 124 H ARG 124 27.467 19.637 -5.244 885 HA ARG 124 HA ARG 124 30.117 19.960 -6.283 886 HB2 ARG 124 HB2 ARG 124 29.327 20.851 -4.081 887 HB3 ARG 124 HB3 ARG 124 29.313 19.200 -3.459 888 HG2 ARG 124 HG2 ARG 124 31.737 19.010 -4.017 889 HG3 ARG 124 HG3 ARG 124 31.726 20.696 -4.530 890 HD2 ARG 124 HD2 ARG 124 30.934 21.334 -2.242 891 HD3 ARG 124 HD3 ARG 124 31.111 19.649 -1.751 892 HE ARG 124 HE ARG 124 33.232 21.484 -1.765 893 HH11 ARG 124 HH11 ARG 124 33.815 18.905 -0.645 894 HH12 ARG 124 HH12 ARG 124 34.848 18.148 -1.811 895 HH21 ARG 124 HH21 ARG 124 33.981 20.314 -4.376 896 HH22 ARG 124 HH22 ARG 124 34.941 18.946 -3.924 897 H HIS 125 H HIS 125 28.392 17.174 -4.943 898 HA HIS 125 HA HIS 125 30.787 15.473 -5.143 899 HB2 HIS 125 HB2 HIS 125 27.904 14.859 -4.425 900 HB3 HIS 125 HB3 HIS 125 29.206 13.669 -4.407 901 HD1 HIS 125 HD1 HIS 125 27.815 14.298 -1.764 902 HD2 HIS 125 HD2 HIS 125 31.184 16.362 -3.096 903 HE1 HIS 125 HE1 HIS 125 28.897 15.305 0.291 904 H LEU 126 H LEU 126 28.160 16.435 -7.141 905 HA LEU 126 HA LEU 126 28.415 14.054 -8.887 906 HB2 LEU 126 HB2 LEU 126 26.659 16.504 -9.222 907 HB3 LEU 126 HB3 LEU 126 26.530 14.986 -10.111 908 HG LEU 126 HG LEU 126 26.089 15.387 -7.138 909 HD11 LEU 126 HD11 LEU 126 24.357 15.151 -9.529 910 HD12 LEU 126 HD12 LEU 126 24.034 15.924 -7.977 911 HD13 LEU 126 HD13 LEU 126 23.867 14.176 -8.144 912 HD21 LEU 126 HD21 LEU 126 26.043 12.858 -8.814 913 HD22 LEU 126 HD22 LEU 126 25.544 12.966 -7.126 914 HD23 LEU 126 HD23 LEU 126 27.227 13.253 -7.567 915 H VAL 127 H VAL 127 29.299 14.164 -10.971 916 HA VAL 127 HA VAL 127 30.506 16.785 -11.755 917 HB VAL 127 HB VAL 127 31.814 14.060 -12.025 918 HG11 VAL 127 HG21 VAL 127 33.807 15.684 -12.512 919 HG12 VAL 127 HG22 VAL 127 32.540 16.854 -12.878 920 HG13 VAL 127 HG23 VAL 127 32.645 15.352 -13.797 921 HG21 VAL 127 HG11 VAL 127 33.281 14.724 -10.255 922 HG22 VAL 127 HG12 VAL 127 31.648 15.058 -9.678 923 HG23 VAL 127 HG13 VAL 127 32.661 16.374 -10.269 924 H LEU 128 H LEU 128 30.786 17.029 -14.082 925 HA LEU 128 HA LEU 128 28.669 15.647 -15.583 926 HB2 LEU 128 HB2 LEU 128 29.074 18.103 -15.821 927 HB3 LEU 128 HB3 LEU 128 30.649 17.742 -16.528 928 HG LEU 128 HG LEU 128 29.389 16.304 -18.232 929 HD11 LEU 128 HD11 LEU 128 27.102 16.293 -18.293 930 HD12 LEU 128 HD12 LEU 128 26.978 17.959 -17.728 931 HD13 LEU 128 HD13 LEU 128 27.268 16.656 -16.575 932 HD21 LEU 128 HD21 LEU 128 29.186 18.124 -19.677 933 HD22 LEU 128 HD22 LEU 128 30.237 18.790 -18.428 934 HD23 LEU 128 HD23 LEU 128 28.515 19.171 -18.427 935 H ALA 129 H ALA 129 29.034 13.903 -16.868 936 HA ALA 129 HA ALA 129 31.578 12.622 -17.019 937 HB1 ALA 129 HB1 ALA 129 30.506 10.993 -18.273 938 HB2 ALA 129 HB2 ALA 129 29.539 12.169 -19.163 939 HB3 ALA 129 HB3 ALA 129 29.112 11.754 -17.503 940 H GLY 130 H GLY 130 33.144 12.601 -18.667 941 HA2 GLY 130 HA2 GLY 130 33.037 14.938 -20.494 942 HA3 GLY 130 HA3 GLY 130 34.485 14.011 -20.098 Start of MODEL 8 1 H GLN 16 H GLN 16 -3.498 12.212 -12.285 2 HA GLN 16 HA GLN 16 -4.982 14.696 -13.037 3 HB2 GLN 16 HB3 GLN 16 -5.640 13.690 -10.862 4 HB3 GLN 16 HB2 GLN 16 -3.971 13.827 -10.310 5 HG2 GLN 16 HG2 GLN 16 -4.102 16.300 -10.712 6 HG3 GLN 16 HG3 GLN 16 -5.812 16.105 -11.097 7 HE21 GLN 16 HE21 GLN 16 -7.154 16.468 -9.329 8 HE22 GLN 16 HE22 GLN 16 -6.722 16.222 -7.706 9 H HIS 17 H HIS 17 -1.879 13.408 -11.908 10 HA HIS 17 HA HIS 17 -0.651 16.049 -12.594 11 HB2 HIS 17 HB3 HIS 17 0.217 13.959 -10.576 12 HB3 HIS 17 HB2 HIS 17 1.193 15.356 -11.026 13 HD1 HIS 17 HD1 HIS 17 -1.988 16.726 -11.255 14 HD2 HIS 17 HD2 HIS 17 0.294 15.531 -7.977 15 HE1 HIS 17 HE1 HIS 17 -2.923 17.952 -9.245 16 H GLU 18 H GLU 18 2.016 15.175 -12.666 17 HA GLU 18 HA GLU 18 2.006 13.072 -14.784 18 HB2 GLU 18 HB2 GLU 18 2.098 15.326 -15.837 19 HB3 GLU 18 HB3 GLU 18 3.552 15.680 -14.903 20 HG2 GLU 18 HG3 GLU 18 4.640 13.676 -15.948 21 HG3 GLU 18 HG2 GLU 18 3.214 13.484 -16.966 22 H TRP 19 H TRP 19 3.990 11.877 -14.917 23 HA TRP 19 HA TRP 19 5.408 11.676 -12.379 24 HB2 TRP 19 HB3 TRP 19 4.841 9.772 -14.041 25 HB3 TRP 19 HB2 TRP 19 6.241 10.336 -14.953 26 HD1 TRP 19 HD1 TRP 19 5.258 8.674 -11.671 27 HE1 TRP 19 HE1 TRP 19 7.374 7.710 -10.556 28 HE3 TRP 19 HE3 TRP 19 8.836 10.614 -14.751 29 HZ2 TRP 19 HZ2 TRP 19 10.211 7.755 -10.925 30 HZ3 TRP 19 HZ3 TRP 19 11.235 10.139 -14.350 31 HH2 TRP 19 HH2 TRP 19 11.927 8.714 -12.442 32 H GLY 20 H GLY 20 7.528 12.335 -11.951 33 HA2 GLY 20 HA3 GLY 20 9.672 13.261 -12.451 34 HA3 GLY 20 HA2 GLY 20 9.152 13.499 -14.118 35 H GLU 21 H GLU 21 6.718 14.605 -12.121 36 HA GLU 21 HA GLU 21 7.272 17.376 -12.785 37 HB2 GLU 21 HB3 GLU 21 5.179 16.073 -11.023 38 HB3 GLU 21 HB2 GLU 21 5.239 17.807 -11.339 39 HG2 GLU 21 HG2 GLU 21 5.007 15.643 -13.454 40 HG3 GLU 21 HG3 GLU 21 3.685 16.664 -12.891 41 H LEU 22 H LEU 22 8.177 18.944 -11.488 42 HA LEU 22 HA LEU 22 9.397 18.017 -8.952 43 HB2 LEU 22 HB2 LEU 22 10.724 19.276 -10.700 44 HB3 LEU 22 HB3 LEU 22 9.732 20.690 -10.344 45 HG LEU 22 HG LEU 22 11.955 20.550 -9.094 46 HD11 LEU 22 HD11 LEU 22 9.500 21.547 -8.348 47 HD12 LEU 22 HD12 LEU 22 11.007 21.838 -7.481 48 HD13 LEU 22 HD13 LEU 22 9.927 20.546 -6.960 49 HD21 LEU 22 HD21 LEU 22 10.669 18.703 -7.156 50 HD22 LEU 22 HD22 LEU 22 12.369 18.870 -7.595 51 HD23 LEU 22 HD23 LEU 22 11.272 17.970 -8.642 52 H VAL 23 H VAL 23 8.675 18.696 -6.969 53 HA VAL 23 HA VAL 23 6.606 20.858 -6.940 54 HB VAL 23 HB VAL 23 5.503 19.642 -5.090 55 HG11 VAL 23 HG21 VAL 23 5.947 18.269 -7.732 56 HG12 VAL 23 HG22 VAL 23 4.519 19.132 -7.161 57 HG13 VAL 23 HG23 VAL 23 4.903 17.538 -6.513 58 HG21 VAL 23 HG11 VAL 23 6.335 17.709 -4.159 59 HG22 VAL 23 HG12 VAL 23 7.862 18.433 -4.661 60 HG23 VAL 23 HG13 VAL 23 7.104 17.193 -5.660 61 H GLN 24 H GLN 24 6.759 22.335 -5.222 62 HA GLN 24 HA GLN 24 9.270 22.120 -3.617 63 HB2 GLN 24 HB3 GLN 24 9.136 24.102 -5.083 64 HB3 GLN 24 HB2 GLN 24 7.620 24.570 -4.313 65 HG2 GLN 24 HG2 GLN 24 8.709 24.922 -2.199 66 HG3 GLN 24 HG3 GLN 24 10.199 24.177 -2.776 67 HE21 GLN 24 HE21 GLN 24 11.014 26.461 -2.000 68 HE22 GLN 24 HE22 GLN 24 11.047 27.667 -3.192 69 H LEU 25 H LEU 25 8.703 21.187 -1.687 70 HA LEU 25 HA LEU 25 6.110 21.567 -0.457 71 HB2 LEU 25 HB2 LEU 25 8.687 20.551 0.780 72 HB3 LEU 25 HB3 LEU 25 7.064 20.338 1.436 73 HG LEU 25 HG LEU 25 8.093 19.247 -1.202 74 HD11 LEU 25 HD11 LEU 25 8.919 17.836 0.490 75 HD12 LEU 25 HD12 LEU 25 7.398 17.067 0.040 76 HD13 LEU 25 HD13 LEU 25 7.489 18.055 1.498 77 HD21 LEU 25 HD21 LEU 25 5.359 19.104 0.105 78 HD22 LEU 25 HD22 LEU 25 5.848 18.135 -1.285 79 HD23 LEU 25 HD23 LEU 25 5.756 19.891 -1.423 80 H ASP 26 H ASP 26 9.244 23.144 -0.186 81 HA ASP 26 HA ASP 26 7.968 25.312 1.356 82 HB2 ASP 26 HB2 ASP 26 9.676 23.312 2.575 83 HB3 ASP 26 HB3 ASP 26 10.421 24.907 2.682 84 HA PRO 27 HA PRO 27 10.851 27.934 -0.763 85 HB2 PRO 27 HB2 PRO 27 12.015 29.461 1.141 86 HB3 PRO 27 HB3 PRO 27 10.337 29.672 0.636 87 HG2 PRO 27 HG2 PRO 27 11.432 28.226 3.021 88 HG3 PRO 27 HG3 PRO 27 10.055 29.329 2.929 89 HD2 PRO 27 HD3 PRO 27 9.726 26.655 2.980 90 HD3 PRO 27 HD2 PRO 27 8.648 27.703 2.060 91 H GLN 28 H GLN 28 12.001 25.596 1.366 92 HA GLN 28 HA GLN 28 14.725 25.844 0.204 93 HB2 GLN 28 HB2 GLN 28 14.076 25.542 3.149 94 HB3 GLN 28 HB3 GLN 28 15.679 25.270 2.466 95 HG2 GLN 28 HG3 GLN 28 15.666 27.591 1.573 96 HG3 GLN 28 HG2 GLN 28 14.095 27.854 2.328 97 HE21 GLN 28 HE21 GLN 28 16.211 29.498 3.137 98 HE22 GLN 28 HE22 GLN 28 16.715 29.073 4.702 99 H THR 29 H THR 29 12.095 24.015 0.379 100 HA THR 29 HA THR 29 13.681 21.487 0.387 101 HB THR 29 HB THR 29 10.908 21.841 1.566 102 HG1 THR 29 HG1 THR 29 12.147 22.550 3.130 103 HG21 THR 29 HG21 THR 29 11.321 19.631 0.520 104 HG22 THR 29 HG22 THR 29 11.179 19.509 2.275 105 HG23 THR 29 HG23 THR 29 12.767 19.448 1.511 106 H VAL 30 H VAL 30 13.273 20.209 -1.377 107 HA VAL 30 HA VAL 30 10.930 20.959 -3.083 108 HB VAL 30 HB VAL 30 12.429 20.056 -4.983 109 HG11 VAL 30 HG21 VAL 30 13.518 22.539 -3.658 110 HG12 VAL 30 HG22 VAL 30 11.893 22.511 -4.342 111 HG13 VAL 30 HG23 VAL 30 13.291 22.221 -5.378 112 HG21 VAL 30 HG11 VAL 30 14.657 19.645 -4.592 113 HG22 VAL 30 HG12 VAL 30 14.049 19.252 -2.983 114 HG23 VAL 30 HG13 VAL 30 14.753 20.838 -3.294 115 H GLY 31 H GLY 31 10.087 19.126 -4.399 116 HA2 GLY 31 HA2 GLY 31 10.828 16.431 -3.423 117 HA3 GLY 31 HA3 GLY 31 9.163 16.946 -3.163 118 H VAL 32 H VAL 32 10.271 14.776 -4.919 119 HA VAL 32 HA VAL 32 9.173 15.789 -7.518 120 HB VAL 32 HB VAL 32 11.092 13.473 -7.254 121 HG11 VAL 32 HG11 VAL 32 11.553 14.304 -9.660 122 HG12 VAL 32 HG12 VAL 32 10.064 15.232 -9.481 123 HG13 VAL 32 HG13 VAL 32 10.025 13.472 -9.367 124 HG21 VAL 32 HG21 VAL 32 11.702 16.414 -7.655 125 HG22 VAL 32 HG22 VAL 32 12.861 15.112 -7.930 126 HG23 VAL 32 HG23 VAL 32 12.226 15.403 -6.310 127 H ILE 33 H ILE 33 7.398 14.727 -8.263 128 HA ILE 33 HA ILE 33 6.122 12.693 -6.673 129 HB ILE 33 HB ILE 33 5.601 13.562 -9.534 130 HG12 ILE 33 HG12 ILE 33 4.172 14.336 -6.976 131 HG13 ILE 33 HG13 ILE 33 5.417 15.326 -7.736 132 HG21 ILE 33 HG21 ILE 33 4.130 11.859 -9.599 133 HG22 ILE 33 HG22 ILE 33 3.259 12.616 -8.265 134 HG23 ILE 33 HG23 ILE 33 4.512 11.418 -7.934 135 HD11 ILE 33 HD11 ILE 33 3.401 14.464 -9.658 136 HD12 ILE 33 HD12 ILE 33 3.973 16.092 -9.296 137 HD13 ILE 33 HD13 ILE 33 2.687 15.373 -8.326 138 H VAL 34 H VAL 34 6.618 10.554 -6.637 139 HA VAL 34 HA VAL 34 8.050 9.426 -9.005 140 HB VAL 34 HB VAL 34 9.290 8.061 -7.588 141 HG11 VAL 34 HG11 VAL 34 8.560 10.396 -5.796 142 HG12 VAL 34 HG12 VAL 34 9.765 10.441 -7.085 143 HG13 VAL 34 HG13 VAL 34 10.021 9.414 -5.673 144 HG21 VAL 34 HG21 VAL 34 7.364 6.968 -6.502 145 HG22 VAL 34 HG22 VAL 34 7.124 8.392 -5.488 146 HG23 VAL 34 HG23 VAL 34 8.583 7.416 -5.309 147 H ARG 35 H ARG 35 5.354 9.020 -6.793 148 HA ARG 35 HA ARG 35 4.337 6.845 -8.574 149 HB2 ARG 35 HB2 ARG 35 5.110 6.061 -6.270 150 HB3 ARG 35 HB3 ARG 35 3.787 7.018 -5.602 151 HG2 ARG 35 HG2 ARG 35 2.151 5.732 -6.838 152 HG3 ARG 35 HG3 ARG 35 3.418 4.882 -7.721 153 HD2 ARG 35 HD2 ARG 35 4.230 3.901 -5.601 154 HD3 ARG 35 HD3 ARG 35 2.949 4.739 -4.727 155 HE ARG 35 HE ARG 35 1.714 3.220 -6.774 156 HH11 ARG 35 HH11 ARG 35 0.277 1.799 -5.535 157 HH12 ARG 35 HH12 ARG 35 1.043 0.699 -4.438 158 HH21 ARG 35 HH21 ARG 35 4.148 2.229 -4.656 159 HH22 ARG 35 HH22 ARG 35 3.234 0.944 -3.939 160 H LEU 36 H LEU 36 2.426 7.414 -9.494 161 HA LEU 36 HA LEU 36 0.947 9.719 -8.334 162 HB2 LEU 36 HB2 LEU 36 0.571 8.345 -11.012 163 HB3 LEU 36 HB3 LEU 36 -0.154 9.869 -10.502 164 HG LEU 36 HG LEU 36 2.838 9.518 -10.481 165 HD11 LEU 36 HD11 LEU 36 2.955 9.496 -12.727 166 HD12 LEU 36 HD12 LEU 36 1.948 10.941 -12.811 167 HD13 LEU 36 HD13 LEU 36 1.199 9.345 -12.797 168 HD21 LEU 36 HD21 LEU 36 0.913 11.847 -10.676 169 HD22 LEU 36 HD22 LEU 36 2.652 12.012 -10.919 170 HD23 LEU 36 HD23 LEU 36 2.027 11.483 -9.358 171 H GLU 37 H GLU 37 -0.682 9.176 -6.972 172 HA GLU 37 HA GLU 37 -2.315 6.761 -7.647 173 HB2 GLU 37 HB3 GLU 37 -1.675 7.774 -4.860 174 HB3 GLU 37 HB2 GLU 37 -2.579 6.316 -5.268 175 HG2 GLU 37 HG2 GLU 37 -0.562 5.416 -6.412 176 HG3 GLU 37 HG3 GLU 37 0.335 6.853 -5.921 177 H ARG 38 H ARG 38 -4.480 6.971 -6.211 178 HA ARG 38 HA ARG 38 -5.600 9.624 -6.939 179 HB2 ARG 38 HB2 ARG 38 -6.927 7.016 -6.141 180 HB3 ARG 38 HB3 ARG 38 -7.801 8.499 -6.520 181 HG2 ARG 38 HG2 ARG 38 -6.673 8.514 -8.765 182 HG3 ARG 38 HG3 ARG 38 -5.982 6.939 -8.377 183 HD2 ARG 38 HD3 ARG 38 -8.425 6.215 -7.900 184 HD3 ARG 38 HD2 ARG 38 -8.882 7.672 -8.784 185 HE ARG 38 HE ARG 38 -7.359 6.645 -10.650 186 HH11 ARG 38 HH11 ARG 38 -6.813 4.376 -11.199 187 HH12 ARG 38 HH12 ARG 38 -8.083 3.223 -10.955 188 HH21 ARG 38 HH21 ARG 38 -10.051 5.388 -9.096 189 HH22 ARG 38 HH22 ARG 38 -9.917 3.797 -9.765 190 H GLU 39 H GLU 39 -4.747 7.691 -4.178 191 HA GLU 39 HA GLU 39 -6.351 9.295 -2.309 192 HB2 GLU 39 HB2 GLU 39 -4.255 7.144 -1.899 193 HB3 GLU 39 HB3 GLU 39 -5.099 7.949 -0.577 194 HG2 GLU 39 HG2 GLU 39 -7.271 7.220 -1.589 195 HG3 GLU 39 HG3 GLU 39 -6.361 6.310 -2.795 196 H THR 40 H THR 40 -2.959 9.007 -3.307 197 HA THR 40 HA THR 40 -2.432 11.753 -2.520 198 HB THR 40 HB THR 40 -0.421 10.572 -1.041 199 HG1 THR 40 HG1 THR 40 -1.532 9.119 0.318 200 HG21 THR 40 HG21 THR 40 -1.218 12.021 0.492 201 HG22 THR 40 HG22 THR 40 -2.773 11.193 0.571 202 HG23 THR 40 HG23 THR 40 -2.482 12.404 -0.678 203 H PHE 41 H PHE 41 0.112 12.095 -2.723 204 HA PHE 41 HA PHE 41 0.995 10.468 -5.077 205 HB2 PHE 41 HB3 PHE 41 1.478 13.375 -4.379 206 HB3 PHE 41 HB2 PHE 41 2.359 12.532 -5.652 207 HD1 PHE 41 HD1 PHE 41 -0.671 14.265 -4.784 208 HD2 PHE 41 HD2 PHE 41 1.000 11.402 -7.514 209 HE1 PHE 41 HE1 PHE 41 -2.554 14.659 -6.349 210 HE2 PHE 41 HE2 PHE 41 -0.883 11.795 -9.079 211 HZ PHE 41 HZ PHE 41 -2.660 13.424 -8.497 212 H GLN 42 H GLN 42 3.235 9.896 -5.171 213 HA GLN 42 HA GLN 42 4.541 9.841 -2.500 214 HB2 GLN 42 HB2 GLN 42 4.238 7.704 -3.793 215 HB3 GLN 42 HB3 GLN 42 5.303 8.359 -5.036 216 HG2 GLN 42 HG3 GLN 42 7.148 8.485 -3.491 217 HG3 GLN 42 HG2 GLN 42 6.102 8.101 -2.125 218 HE21 GLN 42 HE21 GLN 42 8.480 6.556 -3.091 219 HE22 GLN 42 HE22 GLN 42 7.905 5.008 -3.484 220 H VAL 43 H VAL 43 5.660 11.766 -2.284 221 HA VAL 43 HA VAL 43 7.360 12.615 -4.585 222 HB VAL 43 HB VAL 43 6.506 14.215 -2.155 223 HG11 VAL 43 HG11 VAL 43 7.510 16.075 -3.198 224 HG12 VAL 43 HG12 VAL 43 7.579 15.272 -4.766 225 HG13 VAL 43 HG13 VAL 43 8.673 14.778 -3.474 226 HG21 VAL 43 HG21 VAL 43 5.446 14.170 -4.998 227 HG22 VAL 43 HG22 VAL 43 5.000 15.365 -3.780 228 HG23 VAL 43 HG23 VAL 43 4.573 13.670 -3.550 229 H LEU 44 H LEU 44 9.568 12.707 -4.334 230 HA LEU 44 HA LEU 44 10.666 11.601 -1.813 231 HB2 LEU 44 HB3 LEU 44 11.460 10.607 -3.905 232 HB3 LEU 44 HB2 LEU 44 11.966 12.193 -4.490 233 HG LEU 44 HG LEU 44 13.302 12.183 -2.165 234 HD11 LEU 44 HD11 LEU 44 13.340 9.266 -2.971 235 HD12 LEU 44 HD12 LEU 44 12.317 9.879 -1.671 236 HD13 LEU 44 HD13 LEU 44 14.072 10.003 -1.546 237 HD21 LEU 44 HD21 LEU 44 15.064 10.760 -3.714 238 HD22 LEU 44 HD22 LEU 44 14.758 12.488 -3.884 239 HD23 LEU 44 HD23 LEU 44 13.916 11.337 -4.923 240 H ASN 45 H ASN 45 11.688 12.887 -0.339 241 HA ASN 45 HA ASN 45 11.802 15.772 -0.827 242 HB2 ASN 45 HB2 ASN 45 12.681 14.103 1.548 243 HB3 ASN 45 HB3 ASN 45 12.642 15.865 1.514 244 HD21 ASN 45 HD21 ASN 45 10.180 16.184 0.033 245 HD22 ASN 45 HD22 ASN 45 8.900 15.593 0.976 246 H MET 46 H MET 46 13.664 17.006 -1.080 247 HA MET 46 HA MET 46 15.879 16.022 -2.444 248 HB2 MET 46 HB3 MET 46 17.102 18.058 -1.535 249 HB3 MET 46 HB2 MET 46 15.554 18.397 -2.307 250 HG2 MET 46 HG3 MET 46 14.449 18.494 -0.131 251 HG3 MET 46 HG2 MET 46 15.946 18.033 0.679 252 HE1 MET 46 HE1 MET 46 14.642 20.661 1.815 253 HE2 MET 46 HE2 MET 46 16.201 21.462 1.981 254 HE3 MET 46 HE3 MET 46 16.085 19.722 2.220 255 H TYR 47 H TYR 47 15.268 15.938 1.008 256 HA TYR 47 HA TYR 47 17.914 15.447 1.926 257 HB2 TYR 47 HB2 TYR 47 15.250 14.428 2.962 258 HB3 TYR 47 HB3 TYR 47 16.777 14.254 3.829 259 HD1 TYR 47 HD1 TYR 47 18.062 16.320 4.501 260 HD2 TYR 47 HD2 TYR 47 14.062 16.496 2.947 261 HE1 TYR 47 HE1 TYR 47 17.816 18.621 5.393 262 HE2 TYR 47 HE2 TYR 47 13.816 18.797 3.838 263 HH TYR 47 HH TYR 47 14.823 20.189 5.631 264 H GLY 48 H GLY 48 15.848 13.568 -0.043 265 HA2 GLY 48 HA3 GLY 48 16.641 11.623 -1.234 266 HA3 GLY 48 HA2 GLY 48 17.791 11.328 0.071 267 H LYS 49 H LYS 49 14.350 12.068 0.457 268 HA LYS 49 HA LYS 49 13.901 9.250 1.346 269 HB2 LYS 49 HB2 LYS 49 13.019 11.739 2.839 270 HB3 LYS 49 HB3 LYS 49 12.638 10.078 3.294 271 HG2 LYS 49 HG2 LYS 49 15.048 9.593 3.537 272 HG3 LYS 49 HG3 LYS 49 15.427 11.255 3.086 273 HD2 LYS 49 HD2 LYS 49 14.098 12.052 5.040 274 HD3 LYS 49 HD3 LYS 49 13.830 10.373 5.510 275 HE2 LYS 49 HE2 LYS 49 16.432 10.183 5.403 276 HE3 LYS 49 HE3 LYS 49 16.399 11.943 5.504 277 HZ1 LYS 49 HZ1 LYS 49 16.532 10.700 7.674 278 HZ2 LYS 49 HZ2 LYS 49 14.925 10.219 7.405 279 HZ3 LYS 49 HZ3 LYS 49 15.307 11.867 7.561 280 H VAL 50 H VAL 50 11.561 8.696 1.417 281 HA VAL 50 HA VAL 50 10.025 10.311 -0.579 282 HB VAL 50 HB VAL 50 9.761 7.356 0.059 283 HG11 VAL 50 HG11 VAL 50 7.926 7.363 -1.260 284 HG12 VAL 50 HG12 VAL 50 8.726 8.348 -2.485 285 HG13 VAL 50 HG13 VAL 50 7.944 9.120 -1.105 286 HG21 VAL 50 HG21 VAL 50 10.847 6.990 -2.107 287 HG22 VAL 50 HG22 VAL 50 11.908 7.935 -1.060 288 HG23 VAL 50 HG23 VAL 50 11.000 8.731 -2.345 289 H VAL 51 H VAL 51 8.025 11.054 0.052 290 HA VAL 51 HA VAL 51 6.799 9.900 2.503 291 HB VAL 51 HB VAL 51 8.146 11.886 3.183 292 HG11 VAL 51 HG21 VAL 51 7.430 14.113 2.396 293 HG12 VAL 51 HG22 VAL 51 6.255 13.356 1.320 294 HG13 VAL 51 HG23 VAL 51 7.981 13.118 1.047 295 HG21 VAL 51 HG11 VAL 51 5.550 11.246 3.866 296 HG22 VAL 51 HG12 VAL 51 5.425 12.959 3.468 297 HG23 VAL 51 HG13 VAL 51 6.557 12.423 4.710 298 H THR 52 H THR 52 4.507 10.218 2.594 299 HA THR 52 HA THR 52 3.287 10.622 -0.054 300 HB THR 52 HB THR 52 1.929 9.992 2.582 301 HG1 THR 52 HG1 THR 52 2.678 8.146 0.587 302 HG21 THR 52 HG21 THR 52 0.483 10.788 0.718 303 HG22 THR 52 HG22 THR 52 0.158 9.109 1.152 304 HG23 THR 52 HG23 THR 52 1.105 9.481 -0.288 305 H VAL 53 H VAL 53 2.269 12.480 -0.671 306 HA VAL 53 HA VAL 53 1.642 14.485 1.460 307 HB VAL 53 HB VAL 53 2.294 16.259 -0.105 308 HG11 VAL 53 HG11 VAL 53 4.745 14.838 -0.475 309 HG12 VAL 53 HG12 VAL 53 4.050 14.329 1.065 310 HG13 VAL 53 HG13 VAL 53 4.360 16.038 0.759 311 HG21 VAL 53 HG21 VAL 53 3.531 15.489 -2.216 312 HG22 VAL 53 HG22 VAL 53 1.775 15.320 -2.233 313 HG23 VAL 53 HG23 VAL 53 2.794 13.911 -1.942 314 H ARG 54 H ARG 54 -0.230 15.800 1.036 315 HA ARG 54 HA ARG 54 -2.252 14.421 -0.588 316 HB2 ARG 54 HB3 ARG 54 -2.443 16.955 1.069 317 HB3 ARG 54 HB2 ARG 54 -3.804 16.086 0.362 318 HG2 ARG 54 HG2 ARG 54 -3.226 14.091 1.693 319 HG3 ARG 54 HG3 ARG 54 -1.858 14.955 2.396 320 HD2 ARG 54 HD2 ARG 54 -3.443 16.657 3.299 321 HD3 ARG 54 HD3 ARG 54 -4.785 15.702 2.669 322 HE ARG 54 HE ARG 54 -4.084 13.889 4.242 323 HH11 ARG 54 HH11 ARG 54 -2.071 13.717 5.729 324 HH12 ARG 54 HH12 ARG 54 -2.015 14.973 6.921 325 HH21 ARG 54 HH21 ARG 54 -4.351 16.968 5.314 326 HH22 ARG 54 HH22 ARG 54 -3.306 16.814 6.686 327 H HIS 55 H HIS 55 -3.493 15.538 -2.258 328 HA HIS 55 HA HIS 55 -2.062 16.717 -4.305 329 HB2 HIS 55 HB2 HIS 55 -4.895 17.503 -3.561 330 HB3 HIS 55 HB3 HIS 55 -4.162 17.600 -5.162 331 HD1 HIS 55 HD1 HIS 55 -6.605 15.899 -5.067 332 HD2 HIS 55 HD2 HIS 55 -2.849 14.354 -4.128 333 HE1 HIS 55 HE1 HIS 55 -6.763 13.392 -5.384 334 H GLN 56 H GLN 56 -3.454 18.350 -1.486 335 HA GLN 56 HA GLN 56 -2.767 21.016 -2.409 336 HB2 GLN 56 HB2 GLN 56 -3.422 19.953 0.355 337 HB3 GLN 56 HB3 GLN 56 -3.242 21.662 -0.039 338 HG2 GLN 56 HG3 GLN 56 -5.081 21.506 -1.655 339 HG3 GLN 56 HG2 GLN 56 -5.239 19.779 -1.332 340 HE21 GLN 56 HE21 GLN 56 -7.419 21.586 -0.867 341 HE22 GLN 56 HE22 GLN 56 -7.694 21.685 0.805 342 H ALA 57 H ALA 57 -1.151 18.516 -0.537 343 HA ALA 57 HA ALA 57 0.974 20.232 0.437 344 HB1 ALA 57 HB1 ALA 57 0.637 18.228 1.664 345 HB2 ALA 57 HB2 ALA 57 2.139 17.958 0.780 346 HB3 ALA 57 HB3 ALA 57 0.635 17.238 0.205 347 H VAL 58 H VAL 58 0.233 19.034 -2.630 348 HA VAL 58 HA VAL 58 3.085 18.990 -3.480 349 HB VAL 58 HB VAL 58 0.926 18.502 -5.462 350 HG11 VAL 58 HG11 VAL 58 3.700 18.020 -5.154 351 HG12 VAL 58 HG12 VAL 58 2.676 17.554 -6.512 352 HG13 VAL 58 HG13 VAL 58 2.917 16.440 -5.166 353 HG21 VAL 58 HG21 VAL 58 1.208 16.964 -2.933 354 HG22 VAL 58 HG22 VAL 58 1.080 16.014 -4.413 355 HG23 VAL 58 HG23 VAL 58 -0.195 17.153 -3.985 356 H THR 59 H THR 59 3.458 20.108 -5.685 357 HA THR 59 HA THR 59 1.863 22.632 -5.827 358 HB THR 59 HB THR 59 3.914 23.884 -6.239 359 HG1 THR 59 HG1 THR 59 5.061 22.213 -7.269 360 HG21 THR 59 HG21 THR 59 5.002 23.614 -4.042 361 HG22 THR 59 HG22 THR 59 4.196 22.059 -3.835 362 HG23 THR 59 HG23 THR 59 3.246 23.544 -3.891 363 H ARG 60 H ARG 60 2.032 23.686 -7.997 364 HA ARG 60 HA ARG 60 2.208 21.598 -10.115 365 HB2 ARG 60 HB2 ARG 60 0.894 24.333 -10.124 366 HB3 ARG 60 HB3 ARG 60 0.890 23.207 -11.481 367 HG2 ARG 60 HG3 ARG 60 -0.207 21.511 -9.991 368 HG3 ARG 60 HG2 ARG 60 -0.318 22.746 -8.737 369 HD2 ARG 60 HD2 ARG 60 -1.552 24.186 -10.438 370 HD3 ARG 60 HD3 ARG 60 -1.638 22.753 -11.462 371 HE ARG 60 HE ARG 60 -3.558 22.334 -10.142 372 HH11 ARG 60 HH11 ARG 60 -1.738 24.337 -8.203 373 HH12 ARG 60 HH12 ARG 60 -2.106 23.542 -6.710 374 HH21 ARG 60 HH21 ARG 60 -3.666 20.841 -8.227 375 HH22 ARG 60 HH22 ARG 60 -3.199 21.562 -6.723 376 H LYS 61 H LYS 61 4.597 22.868 -9.007 377 HA LYS 61 HA LYS 61 5.492 24.905 -10.881 378 HB2 LYS 61 HB2 LYS 61 6.386 24.646 -8.545 379 HB3 LYS 61 HB3 LYS 61 7.170 23.153 -9.063 380 HG2 LYS 61 HG2 LYS 61 8.383 24.436 -10.819 381 HG3 LYS 61 HG3 LYS 61 7.646 25.920 -10.216 382 HD2 LYS 61 HD2 LYS 61 8.673 25.486 -7.987 383 HD3 LYS 61 HD3 LYS 61 9.468 24.061 -8.656 384 HE2 LYS 61 HE2 LYS 61 10.986 25.302 -9.845 385 HE3 LYS 61 HE3 LYS 61 9.831 26.595 -10.166 386 HZ1 LYS 61 HZ1 LYS 61 10.647 27.732 -8.471 387 HZ2 LYS 61 HZ2 LYS 61 11.814 26.524 -8.217 388 HZ3 LYS 61 HZ3 LYS 61 10.325 26.456 -7.402 389 H LYS 62 H LYS 62 6.442 24.578 -12.847 390 HA LYS 62 HA LYS 62 7.079 21.754 -13.593 391 HB2 LYS 62 HB2 LYS 62 6.370 24.111 -15.369 392 HB3 LYS 62 HB3 LYS 62 6.711 22.472 -15.927 393 HG2 LYS 62 HG2 LYS 62 4.808 21.642 -14.550 394 HG3 LYS 62 HG3 LYS 62 4.444 23.306 -14.092 395 HD2 LYS 62 HD2 LYS 62 4.149 23.872 -16.499 396 HD3 LYS 62 HD3 LYS 62 4.430 22.181 -16.909 397 HE2 LYS 62 HE2 LYS 62 2.339 21.567 -16.277 398 HE3 LYS 62 HE3 LYS 62 2.399 22.555 -14.818 399 HZ1 LYS 62 HZ1 LYS 62 2.239 24.472 -16.587 400 HZ2 LYS 62 HZ2 LYS 62 0.849 23.695 -15.996 401 HZ3 LYS 62 HZ3 LYS 62 1.491 23.258 -17.507 402 H ASP 63 H ASP 63 9.076 21.330 -14.611 403 HA ASP 63 HA ASP 63 11.263 23.055 -13.886 404 HB2 ASP 63 HB2 ASP 63 11.138 20.721 -15.819 405 HB3 ASP 63 HB3 ASP 63 12.629 21.490 -15.276 406 H ASN 64 H ASN 64 12.403 24.538 -15.135 407 HA ASN 64 HA ASN 64 11.232 25.132 -17.823 408 HB2 ASN 64 HB2 ASN 64 12.563 26.992 -15.829 409 HB3 ASN 64 HB3 ASN 64 12.023 27.467 -17.440 410 HD21 ASN 64 HD21 ASN 64 10.919 28.640 -15.045 411 HD22 ASN 64 HD22 ASN 64 9.294 28.168 -14.925 412 H ARG 65 H ARG 65 12.646 25.284 -19.555 413 HA ARG 65 HA ARG 65 15.167 24.000 -19.439 414 HB2 ARG 65 HB2 ARG 65 13.864 24.383 -21.532 415 HB3 ARG 65 HB3 ARG 65 14.276 26.095 -21.444 416 HG2 ARG 65 HG2 ARG 65 16.698 25.462 -21.482 417 HG3 ARG 65 HG3 ARG 65 16.219 23.780 -21.713 418 HD2 ARG 65 HD2 ARG 65 15.526 26.085 -23.562 419 HD3 ARG 65 HD3 ARG 65 16.740 24.845 -23.876 420 HE ARG 65 HE ARG 65 14.484 23.349 -23.459 421 HH11 ARG 65 HH11 ARG 65 13.426 26.199 -24.411 422 HH12 ARG 65 HH12 ARG 65 13.050 25.803 -26.055 423 HH21 ARG 65 HH21 ARG 65 14.766 22.790 -26.000 424 HH22 ARG 65 HH22 ARG 65 13.808 23.873 -26.954 425 H PHE 66 H PHE 66 14.289 27.391 -19.007 426 HA PHE 66 HA PHE 66 16.869 28.550 -19.191 427 HB2 PHE 66 HB2 PHE 66 14.745 29.843 -18.985 428 HB3 PHE 66 HB3 PHE 66 14.638 29.346 -17.296 429 HD1 PHE 66 HD1 PHE 66 16.091 30.291 -15.609 430 HD2 PHE 66 HD2 PHE 66 16.569 31.334 -19.748 431 HE1 PHE 66 HE1 PHE 66 17.603 32.149 -14.967 432 HE2 PHE 66 HE2 PHE 66 18.080 33.193 -19.106 433 HZ PHE 66 HZ PHE 66 18.596 33.600 -16.715 434 H ALA 67 H ALA 67 15.284 26.856 -16.515 435 HA ALA 67 HA ALA 67 17.057 27.467 -14.421 436 HB1 ALA 67 HB1 ALA 67 15.614 24.883 -15.071 437 HB2 ALA 67 HB2 ALA 67 15.093 26.151 -13.961 438 HB3 ALA 67 HB3 ALA 67 16.489 25.148 -13.563 439 H VAL 68 H VAL 68 19.238 27.568 -14.977 440 HA VAL 68 HA VAL 68 20.481 24.965 -15.754 441 HB VAL 68 HB VAL 68 22.094 26.190 -17.153 442 HG11 VAL 68 HG11 VAL 68 20.400 25.506 -18.558 443 HG12 VAL 68 HG12 VAL 68 20.205 27.250 -18.735 444 HG13 VAL 68 HG13 VAL 68 19.155 26.351 -17.640 445 HG21 VAL 68 HG21 VAL 68 22.244 28.318 -16.110 446 HG22 VAL 68 HG22 VAL 68 20.499 28.564 -16.178 447 HG23 VAL 68 HG23 VAL 68 21.458 28.638 -17.657 448 H ALA 69 H ALA 69 22.766 24.802 -15.052 449 HA ALA 69 HA ALA 69 23.545 26.723 -12.921 450 HB1 ALA 69 HB1 ALA 69 24.155 24.748 -11.456 451 HB2 ALA 69 HB2 ALA 69 23.252 23.727 -12.575 452 HB3 ALA 69 HB3 ALA 69 22.422 24.993 -11.672 453 H LEU 70 H LEU 70 25.827 26.764 -12.552 454 HA LEU 70 HA LEU 70 27.389 25.603 -14.794 455 HB2 LEU 70 HB2 LEU 70 27.591 28.043 -14.252 456 HB3 LEU 70 HB3 LEU 70 28.259 27.597 -12.682 457 HG LEU 70 HG LEU 70 30.024 26.268 -13.929 458 HD11 LEU 70 HD11 LEU 70 28.612 26.237 -16.063 459 HD12 LEU 70 HD12 LEU 70 30.322 26.615 -16.274 460 HD13 LEU 70 HD13 LEU 70 29.121 27.908 -16.306 461 HD21 LEU 70 HD21 LEU 70 30.245 29.097 -14.856 462 HD22 LEU 70 HD22 LEU 70 31.416 28.107 -13.985 463 HD23 LEU 70 HD23 LEU 70 30.054 28.823 -13.124 464 H ASP 71 H ASP 71 28.898 24.002 -14.464 465 HA ASP 71 HA ASP 71 28.954 22.719 -11.824 466 HB2 ASP 71 HB3 ASP 71 28.895 21.451 -14.019 467 HB3 ASP 71 HB2 ASP 71 30.555 21.981 -14.286 468 H SER 72 H SER 72 30.468 23.142 -10.307 469 HA SER 72 HA SER 72 32.382 25.147 -10.395 470 HB2 SER 72 HB2 SER 72 31.704 23.835 -8.361 471 HB3 SER 72 HB3 SER 72 32.744 22.524 -8.919 472 HG SER 72 HG SER 72 34.010 23.713 -7.609 473 H GLU 73 H GLU 73 32.576 21.994 -11.870 474 HA GLU 73 HA GLU 73 35.487 22.172 -12.263 475 HB2 GLU 73 HB2 GLU 73 33.458 20.219 -13.391 476 HB3 GLU 73 HB3 GLU 73 35.211 20.060 -13.504 477 HG2 GLU 73 HG2 GLU 73 35.364 19.995 -11.040 478 HG3 GLU 73 HG3 GLU 73 33.611 20.155 -10.927 479 H GLN 74 H GLN 74 33.504 24.186 -13.447 480 HA GLN 74 HA GLN 74 33.379 25.421 -15.435 481 HB2 GLN 74 HB2 GLN 74 35.732 23.696 -16.270 482 HB3 GLN 74 HB3 GLN 74 35.242 25.222 -17.006 483 HG2 GLN 74 HG2 GLN 74 35.622 26.359 -14.819 484 HG3 GLN 74 HG3 GLN 74 36.198 24.831 -14.153 485 HE21 GLN 74 HE21 GLN 74 37.861 27.213 -14.385 486 HE22 GLN 74 HE22 GLN 74 39.125 26.832 -15.453 487 H ASN 75 H ASN 75 31.689 23.171 -15.163 488 HA ASN 75 HA ASN 75 31.540 22.270 -18.014 489 HB2 ASN 75 HB2 ASN 75 30.720 20.659 -15.577 490 HB3 ASN 75 HB3 ASN 75 30.648 20.126 -17.256 491 HD21 ASN 75 HD21 ASN 75 32.198 18.637 -15.430 492 HD22 ASN 75 HD22 ASN 75 33.834 18.815 -15.845 493 H ASN 76 H ASN 76 29.415 22.151 -18.888 494 HA ASN 76 HA ASN 76 27.501 23.958 -17.596 495 HB2 ASN 76 HB2 ASN 76 27.903 23.961 -20.068 496 HB3 ASN 76 HB3 ASN 76 27.197 22.347 -20.148 497 HD21 ASN 76 HD21 ASN 76 26.412 25.700 -19.097 498 HD22 ASN 76 HD22 ASN 76 24.754 25.575 -19.442 499 H ILE 77 H ILE 77 25.764 23.322 -16.400 500 HA ILE 77 HA ILE 77 25.060 20.412 -16.436 501 HB ILE 77 HB ILE 77 24.865 22.338 -14.099 502 HG12 ILE 77 HG12 ILE 77 26.784 20.035 -14.549 503 HG13 ILE 77 HG13 ILE 77 27.206 21.733 -14.758 504 HG21 ILE 77 HG21 ILE 77 23.732 19.726 -14.657 505 HG22 ILE 77 HG22 ILE 77 23.452 20.787 -13.277 506 HG23 ILE 77 HG23 ILE 77 24.804 19.656 -13.258 507 HD11 ILE 77 HD11 ILE 77 25.913 20.995 -12.182 508 HD12 ILE 77 HD12 ILE 77 27.207 22.150 -12.501 509 HD13 ILE 77 HD13 ILE 77 27.564 20.425 -12.426 510 H HIS 78 H HIS 78 22.942 19.977 -16.910 511 HA HIS 78 HA HIS 78 20.985 22.225 -16.679 512 HB2 HIS 78 HB3 HIS 78 21.676 21.939 -19.045 513 HB3 HIS 78 HB2 HIS 78 21.174 20.249 -18.974 514 HD1 HIS 78 HD1 HIS 78 19.515 23.543 -17.948 515 HD2 HIS 78 HD2 HIS 78 18.649 20.047 -20.048 516 HE1 HIS 78 HE1 HIS 78 17.112 23.748 -18.721 517 H VAL 79 H VAL 79 18.741 21.479 -16.474 518 HA VAL 79 HA VAL 79 18.342 19.472 -14.559 519 HB VAL 79 HB VAL 79 15.997 19.651 -15.030 520 HG11 VAL 79 HG21 VAL 79 16.495 22.341 -16.000 521 HG12 VAL 79 HG22 VAL 79 17.664 21.897 -14.755 522 HG13 VAL 79 HG23 VAL 79 15.936 21.818 -14.410 523 HG21 VAL 79 HG11 VAL 79 16.864 20.694 -17.743 524 HG22 VAL 79 HG12 VAL 79 15.198 20.680 -17.164 525 HG23 VAL 79 HG13 VAL 79 16.056 19.159 -17.420 526 H LYS 80 H LYS 80 18.746 19.163 -18.007 527 HA LYS 80 HA LYS 80 18.197 16.232 -17.749 528 HB2 LYS 80 HB2 LYS 80 16.622 17.467 -19.263 529 HB3 LYS 80 HB3 LYS 80 18.004 17.920 -20.261 530 HG2 LYS 80 HG2 LYS 80 18.526 15.509 -20.586 531 HG3 LYS 80 HG3 LYS 80 17.091 15.091 -19.650 532 HD2 LYS 80 HD2 LYS 80 15.724 16.420 -21.300 533 HD3 LYS 80 HD3 LYS 80 17.181 16.598 -22.279 534 HE2 LYS 80 HE2 LYS 80 16.710 13.827 -21.469 535 HE3 LYS 80 HE3 LYS 80 15.381 14.485 -22.422 536 HZ1 LYS 80 HZ1 LYS 80 17.916 13.664 -23.300 537 HZ2 LYS 80 HZ2 LYS 80 17.766 15.331 -23.590 538 HZ3 LYS 80 HZ3 LYS 80 16.619 14.249 -24.222 539 H ASP 81 H ASP 81 20.383 15.735 -17.208 540 HA ASP 81 HA ASP 81 22.183 15.666 -19.535 541 HB2 ASP 81 HB2 ASP 81 22.490 17.887 -18.154 542 HB3 ASP 81 HB3 ASP 81 23.334 16.834 -17.019 543 H ILE 82 H ILE 82 24.423 14.672 -18.589 544 HA ILE 82 HA ILE 82 23.632 12.478 -16.711 545 HB ILE 82 HB ILE 82 25.515 12.300 -19.086 546 HG12 ILE 82 HG12 ILE 82 22.753 11.119 -18.654 547 HG13 ILE 82 HG13 ILE 82 23.125 12.469 -19.727 548 HG21 ILE 82 HG21 ILE 82 26.340 10.547 -17.917 549 HG22 ILE 82 HG22 ILE 82 24.806 9.748 -18.257 550 HG23 ILE 82 HG23 ILE 82 25.029 10.616 -16.739 551 HD11 ILE 82 HD11 ILE 82 24.426 9.744 -19.968 552 HD12 ILE 82 HD12 ILE 82 24.513 11.076 -21.120 553 HD13 ILE 82 HD13 ILE 82 22.992 10.216 -20.878 554 H VAL 83 H VAL 83 24.828 12.551 -14.872 555 HA VAL 83 HA VAL 83 27.641 13.541 -15.069 556 HB VAL 83 HB VAL 83 27.368 14.767 -12.982 557 HG11 VAL 83 HG21 VAL 83 25.764 16.488 -13.730 558 HG12 VAL 83 HG22 VAL 83 25.099 15.357 -14.909 559 HG13 VAL 83 HG23 VAL 83 26.758 15.930 -15.077 560 HG21 VAL 83 HG11 VAL 83 24.884 14.957 -12.170 561 HG22 VAL 83 HG12 VAL 83 25.832 13.547 -11.697 562 HG23 VAL 83 HG13 VAL 83 24.674 13.428 -13.022 563 H LYS 84 H LYS 84 29.093 12.556 -13.568 564 HA LYS 84 HA LYS 84 28.050 10.006 -12.426 565 HB2 LYS 84 HB2 LYS 84 29.907 9.723 -13.979 566 HB3 LYS 84 HB3 LYS 84 30.874 10.897 -13.086 567 HG2 LYS 84 HG2 LYS 84 30.825 9.433 -11.101 568 HG3 LYS 84 HG3 LYS 84 29.844 8.263 -11.983 569 HD2 LYS 84 HD2 LYS 84 31.737 8.211 -13.714 570 HD3 LYS 84 HD3 LYS 84 32.709 9.071 -12.519 571 HE2 LYS 84 HE2 LYS 84 33.091 7.161 -11.388 572 HE3 LYS 84 HE3 LYS 84 31.361 6.844 -11.267 573 HZ1 LYS 84 HZ1 LYS 84 33.251 5.569 -12.893 574 HZ2 LYS 84 HZ2 LYS 84 32.147 6.371 -13.905 575 HZ3 LYS 84 HZ3 LYS 84 31.591 5.247 -12.759 576 H VAL 85 H VAL 85 27.987 9.753 -10.232 577 HA VAL 85 HA VAL 85 28.942 12.003 -8.564 578 HB VAL 85 HB VAL 85 27.478 9.528 -7.624 579 HG11 VAL 85 HG21 VAL 85 26.976 12.188 -6.451 580 HG12 VAL 85 HG22 VAL 85 28.622 11.594 -6.232 581 HG13 VAL 85 HG23 VAL 85 27.256 10.641 -5.652 582 HG21 VAL 85 HG11 VAL 85 26.549 11.737 -9.315 583 HG22 VAL 85 HG12 VAL 85 25.603 11.554 -7.838 584 HG23 VAL 85 HG13 VAL 85 25.769 10.197 -8.953 585 H ILE 86 H ILE 86 31.022 11.873 -7.884 586 HA ILE 86 HA ILE 86 32.060 9.180 -7.091 587 HB ILE 86 HB ILE 86 33.606 11.515 -8.256 588 HG12 ILE 86 HG12 ILE 86 32.893 8.802 -9.411 589 HG13 ILE 86 HG13 ILE 86 32.213 10.347 -9.922 590 HG21 ILE 86 HG21 ILE 86 34.552 8.702 -7.649 591 HG22 ILE 86 HG22 ILE 86 34.799 10.061 -6.553 592 HG23 ILE 86 HG23 ILE 86 35.534 10.078 -8.157 593 HD11 ILE 86 HD11 ILE 86 35.187 10.097 -9.895 594 HD12 ILE 86 HD12 ILE 86 34.147 10.997 -10.998 595 HD13 ILE 86 HD13 ILE 86 34.314 9.250 -11.171 596 H ASP 87 H ASP 87 31.457 12.437 -6.156 597 HA ASP 87 HA ASP 87 33.248 12.182 -3.792 598 HB2 ASP 87 HB2 ASP 87 31.729 14.517 -4.976 599 HB3 ASP 87 HB3 ASP 87 32.564 14.603 -3.425 600 H GLY 88 H GLY 88 32.409 11.910 -1.750 601 HA2 GLY 88 HA2 GLY 88 30.633 12.227 -0.094 602 HA3 GLY 88 HA3 GLY 88 29.457 12.181 -1.408 603 HA PRO 89 HA PRO 89 30.159 7.890 0.631 604 HB2 PRO 89 HB2 PRO 89 27.827 7.728 1.991 605 HB3 PRO 89 HB3 PRO 89 29.308 8.383 2.696 606 HG2 PRO 89 HG2 PRO 89 26.962 9.832 1.526 607 HG3 PRO 89 HG3 PRO 89 27.864 10.188 3.003 608 HD2 PRO 89 HD3 PRO 89 28.282 11.548 0.706 609 HD3 PRO 89 HD2 PRO 89 29.582 11.231 1.857 610 H HIS 90 H HIS 90 27.424 9.522 -0.888 611 HA HIS 90 HA HIS 90 26.275 6.970 -1.813 612 HB2 HIS 90 HB2 HIS 90 24.789 8.862 -1.199 613 HB3 HIS 90 HB3 HIS 90 25.510 9.829 -2.487 614 HD1 HIS 90 HD1 HIS 90 23.808 6.420 -2.154 615 HD2 HIS 90 HD2 HIS 90 24.135 9.573 -4.862 616 HE1 HIS 90 HE1 HIS 90 22.310 5.841 -4.113 617 H SER 91 H SER 91 28.608 9.243 -2.832 618 HA SER 91 HA SER 91 28.343 9.089 -5.667 619 HB2 SER 91 HB2 SER 91 30.309 10.259 -5.709 620 HB3 SER 91 HB3 SER 91 29.988 10.440 -3.984 621 HG SER 91 HG SER 91 31.746 8.701 -5.306 622 H GLY 92 H GLY 92 30.609 8.054 -6.749 623 HA2 GLY 92 HA2 GLY 92 31.921 6.036 -6.955 624 HA3 GLY 92 HA3 GLY 92 30.873 5.267 -5.764 625 H ARG 93 H ARG 93 28.868 6.925 -7.806 626 HA ARG 93 HA ARG 93 28.735 4.760 -9.838 627 HB2 ARG 93 HB2 ARG 93 26.359 5.656 -8.178 628 HB3 ARG 93 HB3 ARG 93 26.330 4.460 -9.475 629 HG2 ARG 93 HG2 ARG 93 27.896 3.039 -8.194 630 HG3 ARG 93 HG3 ARG 93 27.916 4.234 -6.896 631 HD2 ARG 93 HD2 ARG 93 25.481 2.712 -7.880 632 HD3 ARG 93 HD3 ARG 93 26.334 2.432 -6.362 633 HE ARG 93 HE ARG 93 24.941 5.013 -6.954 634 HH11 ARG 93 HH11 ARG 93 25.413 6.023 -4.738 635 HH12 ARG 93 HH12 ARG 93 24.824 5.076 -3.414 636 HH21 ARG 93 HH21 ARG 93 24.368 2.214 -5.319 637 HH22 ARG 93 HH22 ARG 93 24.233 2.919 -3.741 638 H GLU 94 H GLU 94 27.088 5.384 -11.582 639 HA GLU 94 HA GLU 94 27.329 8.315 -12.071 640 HB2 GLU 94 HB2 GLU 94 26.653 6.109 -14.040 641 HB3 GLU 94 HB3 GLU 94 27.040 7.786 -14.425 642 HG2 GLU 94 HG2 GLU 94 29.306 7.517 -13.630 643 HG3 GLU 94 HG3 GLU 94 28.942 5.918 -12.983 644 H GLY 95 H GLY 95 25.455 9.470 -12.861 645 HA2 GLY 95 HA2 GLY 95 22.850 8.078 -12.725 646 HA3 GLY 95 HA3 GLY 95 23.108 9.378 -11.561 647 H GLU 96 H GLU 96 21.071 9.570 -13.466 648 HA GLU 96 HA GLU 96 22.159 11.472 -15.493 649 HB2 GLU 96 HB2 GLU 96 19.478 10.058 -15.347 650 HB3 GLU 96 HB3 GLU 96 19.964 11.174 -16.624 651 HG2 GLU 96 HG2 GLU 96 21.923 9.674 -17.099 652 HG3 GLU 96 HG3 GLU 96 21.271 8.526 -15.930 653 H ILE 97 H ILE 97 21.322 13.590 -15.594 654 HA ILE 97 HA ILE 97 20.056 14.526 -13.098 655 HB ILE 97 HB ILE 97 21.135 16.003 -15.516 656 HG12 ILE 97 HG13 ILE 97 22.140 15.817 -12.661 657 HG13 ILE 97 HG12 ILE 97 22.807 14.911 -14.020 658 HG21 ILE 97 HG21 ILE 97 19.445 16.866 -13.265 659 HG22 ILE 97 HG22 ILE 97 19.760 17.665 -14.805 660 HG23 ILE 97 HG23 ILE 97 20.905 17.833 -13.475 661 HD11 ILE 97 HD11 ILE 97 22.543 17.838 -14.429 662 HD12 ILE 97 HD12 ILE 97 23.848 16.749 -14.901 663 HD13 ILE 97 HD13 ILE 97 23.748 17.338 -13.241 664 H ARG 98 H ARG 98 17.869 14.598 -12.980 665 HA ARG 98 HA ARG 98 16.309 14.791 -15.508 666 HB2 ARG 98 HB2 ARG 98 15.845 12.983 -13.747 667 HB3 ARG 98 HB3 ARG 98 15.216 14.282 -12.733 668 HG2 ARG 98 HG2 ARG 98 13.570 14.868 -14.438 669 HG3 ARG 98 HG3 ARG 98 14.243 13.666 -15.539 670 HD2 ARG 98 HD2 ARG 98 13.655 11.875 -13.943 671 HD3 ARG 98 HD3 ARG 98 12.980 13.078 -12.843 672 HE ARG 98 HE ARG 98 11.024 12.792 -14.120 673 HH11 ARG 98 HH11 ARG 98 12.355 10.781 -15.983 674 HH12 ARG 98 HH12 ARG 98 12.132 11.548 -17.519 675 HH21 ARG 98 HH21 ARG 98 11.369 14.646 -16.159 676 HH22 ARG 98 HH22 ARG 98 11.574 13.737 -17.619 677 H HIS 99 H HIS 99 16.127 16.126 -12.186 678 HA HIS 99 HA HIS 99 15.095 18.658 -13.404 679 HB2 HIS 99 HB2 HIS 99 14.733 18.009 -10.498 680 HB3 HIS 99 HB3 HIS 99 13.712 18.978 -11.559 681 HD1 HIS 99 HD1 HIS 99 12.514 17.474 -13.564 682 HD2 HIS 99 HD2 HIS 99 13.751 15.448 -10.138 683 HE1 HIS 99 HE1 HIS 99 11.266 15.270 -13.544 684 H LEU 100 H LEU 100 15.891 20.656 -12.405 685 HA LEU 100 HA LEU 100 18.497 20.253 -10.990 686 HB2 LEU 100 HB2 LEU 100 18.650 21.103 -13.378 687 HB3 LEU 100 HB3 LEU 100 17.825 22.562 -12.831 688 HG LEU 100 HG LEU 100 20.183 21.656 -11.245 689 HD11 LEU 100 HD11 LEU 100 20.362 21.943 -14.056 690 HD12 LEU 100 HD12 LEU 100 21.694 21.841 -12.904 691 HD13 LEU 100 HD13 LEU 100 21.044 23.415 -13.364 692 HD21 LEU 100 HD21 LEU 100 18.532 23.976 -11.546 693 HD22 LEU 100 HD22 LEU 100 20.185 24.415 -11.975 694 HD23 LEU 100 HD23 LEU 100 19.842 23.711 -10.395 695 H PHE 101 H PHE 101 18.525 21.120 -8.990 696 HA PHE 101 HA PHE 101 16.489 23.201 -8.328 697 HB2 PHE 101 HB3 PHE 101 16.387 21.100 -7.002 698 HB3 PHE 101 HB2 PHE 101 18.048 21.370 -6.476 699 HD1 PHE 101 HD1 PHE 101 14.714 23.083 -6.589 700 HD2 PHE 101 HD2 PHE 101 18.453 22.604 -4.530 701 HE1 PHE 101 HE1 PHE 101 13.899 24.556 -4.768 702 HE2 PHE 101 HE2 PHE 101 17.639 24.077 -2.708 703 HZ PHE 101 HZ PHE 101 15.361 25.053 -2.826 704 H ARG 102 H ARG 102 17.296 24.794 -6.607 705 HA ARG 102 HA ARG 102 19.274 26.469 -7.476 706 HB2 ARG 102 HB2 ARG 102 17.941 27.083 -5.561 707 HB3 ARG 102 HB3 ARG 102 18.618 25.765 -4.604 708 HG2 ARG 102 HG2 ARG 102 20.854 26.807 -4.755 709 HG3 ARG 102 HG3 ARG 102 20.171 28.128 -5.705 710 HD2 ARG 102 HD2 ARG 102 18.581 28.536 -3.752 711 HD3 ARG 102 HD3 ARG 102 19.584 27.422 -2.820 712 HE ARG 102 HE ARG 102 21.280 29.391 -3.994 713 HH11 ARG 102 HH11 ARG 102 18.653 30.739 -2.878 714 HH12 ARG 102 HH12 ARG 102 19.251 31.289 -1.348 715 HH21 ARG 102 HH21 ARG 102 22.129 29.358 -1.481 716 HH22 ARG 102 HH22 ARG 102 21.219 30.507 -0.558 717 H SER 103 H SER 103 20.254 24.767 -4.548 718 HA SER 103 HA SER 103 22.907 24.316 -5.818 719 HB2 SER 103 HB3 SER 103 23.599 23.858 -3.406 720 HB3 SER 103 HB2 SER 103 23.082 25.510 -3.748 721 HG SER 103 HG SER 103 22.104 24.651 -1.860 722 H PHE 104 H PHE 104 20.558 22.582 -6.347 723 HA PHE 104 HA PHE 104 21.870 20.025 -5.701 724 HB2 PHE 104 HB3 PHE 104 19.045 20.656 -4.795 725 HB3 PHE 104 HB2 PHE 104 19.782 19.055 -4.751 726 HD1 PHE 104 HD1 PHE 104 21.397 18.465 -3.068 727 HD2 PHE 104 HD2 PHE 104 19.958 22.499 -3.384 728 HE1 PHE 104 HE1 PHE 104 22.438 19.006 -0.884 729 HE2 PHE 104 HE2 PHE 104 21.001 23.042 -1.199 730 HZ PHE 104 HZ PHE 104 22.240 21.295 0.050 731 H ALA 105 H ALA 105 21.062 18.284 -7.048 732 HA ALA 105 HA ALA 105 19.238 19.168 -9.243 733 HB1 ALA 105 HB1 ALA 105 21.525 17.323 -9.842 734 HB2 ALA 105 HB2 ALA 105 21.843 19.054 -9.728 735 HB3 ALA 105 HB3 ALA 105 20.686 18.446 -10.914 736 H PHE 106 H PHE 106 17.639 17.685 -9.662 737 HA PHE 106 HA PHE 106 17.544 15.257 -8.034 738 HB2 PHE 106 HB2 PHE 106 15.709 16.496 -10.083 739 HB3 PHE 106 HB3 PHE 106 15.401 14.887 -9.431 740 HD1 PHE 106 HD1 PHE 106 15.048 14.574 -6.980 741 HD2 PHE 106 HD2 PHE 106 15.354 18.472 -8.757 742 HE1 PHE 106 HE1 PHE 106 14.056 15.581 -4.943 743 HE2 PHE 106 HE2 PHE 106 14.362 19.478 -6.719 744 HZ PHE 106 HZ PHE 106 13.713 18.031 -4.813 745 H LEU 107 H LEU 107 18.489 13.382 -8.651 746 HA LEU 107 HA LEU 107 19.012 12.978 -11.567 747 HB2 LEU 107 HB3 LEU 107 20.314 11.561 -9.229 748 HB3 LEU 107 HB2 LEU 107 20.821 11.513 -10.917 749 HG LEU 107 HG LEU 107 20.729 14.233 -10.346 750 HD11 LEU 107 HD11 LEU 107 22.312 13.043 -8.103 751 HD12 LEU 107 HD12 LEU 107 20.571 13.221 -7.888 752 HD13 LEU 107 HD13 LEU 107 21.569 14.637 -8.224 753 HD21 LEU 107 HD21 LEU 107 23.349 13.692 -10.026 754 HD22 LEU 107 HD22 LEU 107 22.553 13.612 -11.597 755 HD23 LEU 107 HD23 LEU 107 22.820 12.137 -10.667 756 H HIS 108 H HIS 108 18.584 10.872 -12.468 757 HA HIS 108 HA HIS 108 16.523 9.351 -10.925 758 HB2 HIS 108 HB2 HIS 108 15.643 10.343 -12.984 759 HB3 HIS 108 HB3 HIS 108 16.938 9.598 -13.921 760 HD1 HIS 108 HD1 HIS 108 15.998 7.657 -15.165 761 HD2 HIS 108 HD2 HIS 108 14.390 7.932 -11.329 762 HE1 HIS 108 HE1 HIS 108 14.459 5.664 -14.889 763 H CYS 109 H CYS 109 16.986 7.247 -10.436 764 HA CYS 109 HA CYS 109 19.392 6.043 -11.746 765 HB2 CYS 109 HB2 CYS 109 19.420 4.606 -9.608 766 HB3 CYS 109 HB3 CYS 109 19.901 6.295 -9.440 767 HG CYS 109 HG CYS 109 18.046 5.549 -7.615 768 H LYS 110 H LYS 110 18.702 4.593 -13.246 769 HA LYS 110 HA LYS 110 16.119 3.376 -13.273 770 HB2 LYS 110 HB2 LYS 110 17.601 3.576 -15.269 771 HB3 LYS 110 HB3 LYS 110 18.669 2.361 -14.566 772 HG2 LYS 110 HG3 LYS 110 16.819 0.732 -14.554 773 HG3 LYS 110 HG2 LYS 110 15.739 1.947 -15.239 774 HD2 LYS 110 HD2 LYS 110 16.534 0.559 -17.055 775 HD3 LYS 110 HD3 LYS 110 17.320 2.131 -17.197 776 HE2 LYS 110 HE2 LYS 110 19.357 1.292 -16.246 777 HE3 LYS 110 HE3 LYS 110 18.582 -0.215 -15.758 778 HZ1 LYS 110 HZ1 LYS 110 19.938 0.173 -18.067 779 HZ2 LYS 110 HZ2 LYS 110 18.323 0.348 -18.562 780 HZ3 LYS 110 HZ3 LYS 110 18.826 -1.076 -17.783 781 H LYS 111 H LYS 111 19.125 2.472 -11.718 782 HA LYS 111 HA LYS 111 18.613 -0.279 -11.246 783 HB2 LYS 111 HB2 LYS 111 20.769 0.885 -10.741 784 HB3 LYS 111 HB3 LYS 111 19.987 1.666 -9.367 785 HG2 LYS 111 HG2 LYS 111 19.473 -0.563 -8.411 786 HG3 LYS 111 HG3 LYS 111 20.296 -1.325 -9.772 787 HD2 LYS 111 HD2 LYS 111 22.375 -0.073 -9.139 788 HD3 LYS 111 HD3 LYS 111 21.534 0.518 -7.706 789 HE2 LYS 111 HE2 LYS 111 21.059 -2.206 -7.610 790 HE3 LYS 111 HE3 LYS 111 22.709 -2.122 -8.226 791 HZ1 LYS 111 HZ1 LYS 111 22.807 -2.132 -5.866 792 HZ2 LYS 111 HZ2 LYS 111 21.655 -0.889 -5.742 793 HZ3 LYS 111 HZ3 LYS 111 23.198 -0.562 -6.376 794 H LEU 112 H LEU 112 17.446 2.616 -9.584 795 HA LEU 112 HA LEU 112 15.908 0.871 -7.717 796 HB2 LEU 112 HB3 LEU 112 17.299 2.674 -6.710 797 HB3 LEU 112 HB2 LEU 112 16.369 3.869 -7.615 798 HG LEU 112 HG LEU 112 14.328 3.232 -6.464 799 HD11 LEU 112 HD21 LEU 112 14.714 1.517 -4.499 800 HD12 LEU 112 HD22 LEU 112 16.060 0.975 -5.501 801 HD13 LEU 112 HD23 LEU 112 14.414 0.924 -6.132 802 HD21 LEU 112 HD11 LEU 112 15.662 4.851 -5.266 803 HD22 LEU 112 HD12 LEU 112 16.701 3.585 -4.611 804 HD23 LEU 112 HD13 LEU 112 15.022 3.711 -4.082 805 H VAL 113 H VAL 113 13.798 0.538 -8.198 806 HA VAL 113 HA VAL 113 12.408 2.598 -9.868 807 HB VAL 113 HB VAL 113 12.854 0.375 -11.008 808 HG11 VAL 113 HG11 VAL 113 11.779 -1.588 -10.264 809 HG12 VAL 113 HG12 VAL 113 10.675 -0.695 -9.218 810 HG13 VAL 113 HG13 VAL 113 12.374 -0.862 -8.772 811 HG21 VAL 113 HG21 VAL 113 10.041 0.200 -11.132 812 HG22 VAL 113 HG22 VAL 113 11.097 1.112 -12.210 813 HG23 VAL 113 HG23 VAL 113 10.399 1.893 -10.790 814 H GLU 114 H GLU 114 12.248 0.420 -7.118 815 HA GLU 114 HA GLU 114 9.516 0.562 -6.468 816 HB2 GLU 114 HB2 GLU 114 11.921 0.594 -4.621 817 HB3 GLU 114 HB3 GLU 114 10.264 0.312 -4.088 818 HG2 GLU 114 HG2 GLU 114 10.140 -1.620 -5.681 819 HG3 GLU 114 HG3 GLU 114 11.846 -1.376 -6.051 820 H ASN 115 H ASN 115 12.114 2.819 -5.487 821 HA ASN 115 HA ASN 115 10.081 4.720 -4.495 822 HB2 ASN 115 HB2 ASN 115 13.109 4.909 -4.588 823 HB3 ASN 115 HB3 ASN 115 12.039 6.066 -3.796 824 HD21 ASN 115 HD21 ASN 115 13.979 4.677 -2.266 825 HD22 ASN 115 HD22 ASN 115 13.147 3.675 -1.179 826 H GLY 116 H GLY 116 10.756 3.955 -7.459 827 HA2 GLY 116 HA3 GLY 116 10.342 5.213 -9.432 828 HA3 GLY 116 HA2 GLY 116 10.394 6.690 -8.468 829 H GLY 117 H GLY 117 13.049 5.232 -7.415 830 HA2 GLY 117 HA2 GLY 117 15.337 5.398 -7.913 831 HA3 GLY 117 HA3 GLY 117 14.887 5.379 -9.618 832 H MET 118 H MET 118 13.669 7.763 -7.324 833 HA MET 118 HA MET 118 15.133 9.846 -8.885 834 HB2 MET 118 HB2 MET 118 12.646 10.085 -7.164 835 HB3 MET 118 HB3 MET 118 13.396 11.405 -8.063 836 HG2 MET 118 HG3 MET 118 12.226 8.867 -9.245 837 HG3 MET 118 HG2 MET 118 11.532 10.485 -9.357 838 HE1 MET 118 HE1 MET 118 13.371 12.412 -9.727 839 HE2 MET 118 HE2 MET 118 12.340 12.334 -11.154 840 HE3 MET 118 HE3 MET 118 14.086 12.492 -11.343 841 H PHE 119 H PHE 119 16.647 11.073 -7.845 842 HA PHE 119 HA PHE 119 16.530 11.445 -4.934 843 HB2 PHE 119 HB3 PHE 119 18.811 10.532 -4.562 844 HB3 PHE 119 HB2 PHE 119 17.688 9.282 -5.093 845 HD1 PHE 119 HD1 PHE 119 20.802 10.917 -5.746 846 HD2 PHE 119 HD2 PHE 119 17.590 8.778 -7.636 847 HE1 PHE 119 HE1 PHE 119 22.272 10.417 -7.679 848 HE2 PHE 119 HE2 PHE 119 19.062 8.279 -9.569 849 HZ PHE 119 HZ PHE 119 21.403 9.098 -9.591 850 H VAL 120 H VAL 120 18.318 12.988 -4.251 851 HA VAL 120 HA VAL 120 19.023 14.746 -6.568 852 HB VAL 120 HB VAL 120 19.181 16.528 -4.716 853 HG11 VAL 120 HG21 VAL 120 16.868 17.070 -4.958 854 HG12 VAL 120 HG22 VAL 120 16.427 15.374 -5.163 855 HG13 VAL 120 HG23 VAL 120 17.318 16.213 -6.433 856 HG21 VAL 120 HG11 VAL 120 17.217 14.911 -3.183 857 HG22 VAL 120 HG12 VAL 120 18.419 16.064 -2.604 858 HG23 VAL 120 HG13 VAL 120 18.905 14.424 -3.032 859 H CYS 121 H CYS 121 21.032 16.099 -6.124 860 HA CYS 121 HA CYS 121 22.984 14.954 -4.259 861 HB2 CYS 121 HB3 CYS 121 23.191 14.575 -7.246 862 HB3 CYS 121 HB2 CYS 121 24.633 14.628 -6.231 863 HG CYS 121 HG CYS 121 23.713 12.126 -6.449 864 H LYS 122 H LYS 122 24.870 16.340 -4.070 865 HA LYS 122 HA LYS 122 24.284 19.121 -4.687 866 HB2 LYS 122 HB2 LYS 122 25.571 18.094 -2.641 867 HB3 LYS 122 HB3 LYS 122 26.963 18.158 -3.722 868 HG2 LYS 122 HG3 LYS 122 26.482 20.583 -4.115 869 HG3 LYS 122 HG2 LYS 122 25.191 20.486 -2.919 870 HD2 LYS 122 HD3 LYS 122 26.827 19.780 -1.209 871 HD3 LYS 122 HD2 LYS 122 28.119 19.875 -2.406 872 HE2 LYS 122 HE3 LYS 122 27.251 22.331 -2.742 873 HE3 LYS 122 HE2 LYS 122 26.539 22.099 -1.144 874 HZ1 LYS 122 HZ1 LYS 122 29.381 21.497 -1.703 875 HZ2 LYS 122 HZ2 LYS 122 28.627 21.715 -0.196 876 HZ3 LYS 122 HZ3 LYS 122 28.868 23.043 -1.228 877 H THR 123 H THR 123 24.657 19.939 -6.681 878 HA THR 123 HA THR 123 25.961 18.778 -8.822 879 HB THR 123 HB THR 123 26.195 20.983 -9.784 880 HG1 THR 123 HG1 THR 123 26.288 22.780 -8.554 881 HG21 THR 123 HG21 THR 123 23.971 21.751 -9.589 882 HG22 THR 123 HG22 THR 123 23.850 21.235 -7.906 883 HG23 THR 123 HG23 THR 123 23.866 20.035 -9.198 884 H ARG 124 H ARG 124 27.412 20.272 -6.017 885 HA ARG 124 HA ARG 124 30.057 20.626 -7.080 886 HB2 ARG 124 HB2 ARG 124 29.195 21.606 -4.918 887 HB3 ARG 124 HB3 ARG 124 29.318 19.996 -4.209 888 HG2 ARG 124 HG2 ARG 124 31.735 19.949 -4.785 889 HG3 ARG 124 HG3 ARG 124 31.596 21.584 -5.431 890 HD2 ARG 124 HD2 ARG 124 30.807 22.357 -3.189 891 HD3 ARG 124 HD3 ARG 124 31.086 20.731 -2.565 892 HE ARG 124 HE ARG 124 33.249 22.528 -3.578 893 HH11 ARG 124 HH11 ARG 124 32.566 21.735 -0.631 894 HH12 ARG 124 HH12 ARG 124 33.847 20.609 -0.327 895 HH21 ARG 124 HH21 ARG 124 34.698 20.268 -3.671 896 HH22 ARG 124 HH22 ARG 124 35.053 19.779 -2.048 897 H HIS 125 H HIS 125 28.419 17.889 -5.533 898 HA HIS 125 HA HIS 125 30.856 16.245 -5.641 899 HB2 HIS 125 HB2 HIS 125 27.997 15.547 -4.902 900 HB3 HIS 125 HB3 HIS 125 29.378 14.464 -4.735 901 HD1 HIS 125 HD1 HIS 125 27.849 15.272 -2.206 902 HD2 HIS 125 HD2 HIS 125 31.141 17.384 -3.649 903 HE1 HIS 125 HE1 HIS 125 28.804 16.546 -0.236 904 H LEU 126 H LEU 126 28.437 17.142 -7.812 905 HA LEU 126 HA LEU 126 28.467 14.583 -9.293 906 HB2 LEU 126 HB2 LEU 126 27.146 17.218 -10.013 907 HB3 LEU 126 HB3 LEU 126 26.852 15.655 -10.774 908 HG LEU 126 HG LEU 126 26.278 16.378 -7.884 909 HD11 LEU 126 HD11 LEU 126 24.022 16.432 -8.466 910 HD12 LEU 126 HD12 LEU 126 24.264 15.436 -9.902 911 HD13 LEU 126 HD13 LEU 126 24.763 17.127 -9.908 912 HD21 LEU 126 HD21 LEU 126 26.062 13.779 -9.423 913 HD22 LEU 126 HD22 LEU 126 25.199 14.068 -7.913 914 HD23 LEU 126 HD23 LEU 126 26.963 14.081 -7.937 915 H VAL 127 H VAL 127 29.420 14.362 -11.359 916 HA VAL 127 HA VAL 127 31.139 16.639 -12.249 917 HB VAL 127 HB VAL 127 32.940 15.068 -12.762 918 HG11 VAL 127 HG21 VAL 127 31.851 14.699 -9.954 919 HG12 VAL 127 HG22 VAL 127 32.887 16.019 -10.496 920 HG13 VAL 127 HG23 VAL 127 33.510 14.370 -10.451 921 HG21 VAL 127 HG11 VAL 127 31.974 12.746 -11.359 922 HG22 VAL 127 HG12 VAL 127 32.531 12.871 -13.028 923 HG23 VAL 127 HG13 VAL 127 30.836 13.169 -12.638 924 H LEU 128 H LEU 128 31.367 16.816 -14.520 925 HA LEU 128 HA LEU 128 29.228 15.548 -16.062 926 HB2 LEU 128 HB2 LEU 128 29.910 17.922 -16.425 927 HB3 LEU 128 HB3 LEU 128 31.475 17.354 -17.008 928 HG LEU 128 HG LEU 128 30.166 15.947 -18.702 929 HD11 LEU 128 HD11 LEU 128 27.881 16.720 -19.193 930 HD12 LEU 128 HD12 LEU 128 27.963 17.845 -17.838 931 HD13 LEU 128 HD13 LEU 128 27.985 16.107 -17.542 932 HD21 LEU 128 HD21 LEU 128 31.276 17.816 -19.599 933 HD22 LEU 128 HD22 LEU 128 30.277 18.957 -18.698 934 HD23 LEU 128 HD23 LEU 128 29.601 18.089 -20.077 935 H ALA 129 H ALA 129 29.455 13.656 -17.150 936 HA ALA 129 HA ALA 129 31.922 12.187 -17.163 937 HB1 ALA 129 HB1 ALA 129 29.835 11.557 -19.197 938 HB2 ALA 129 HB2 ALA 129 29.357 11.463 -17.502 939 HB3 ALA 129 HB3 ALA 129 30.694 10.479 -18.098 940 H GLY 130 H GLY 130 30.327 14.255 -19.555 941 HA2 GLY 130 HA2 GLY 130 32.153 15.464 -20.948 942 HA3 GLY 130 HA3 GLY 130 32.649 13.828 -21.382 Start of MODEL 9 1 H GLN 16 H GLN 16 -2.647 10.706 -12.856 2 HA GLN 16 HA GLN 16 -4.809 12.182 -13.551 3 HB2 GLN 16 HB3 GLN 16 -4.425 12.460 -10.556 4 HB3 GLN 16 HB2 GLN 16 -5.410 13.549 -11.534 5 HG2 GLN 16 HG2 GLN 16 -6.805 11.639 -12.251 6 HG3 GLN 16 HG3 GLN 16 -5.824 10.554 -11.266 7 HE21 GLN 16 HE21 GLN 16 -8.591 10.779 -10.725 8 HE22 GLN 16 HE22 GLN 16 -8.806 11.581 -9.245 9 H HIS 17 H HIS 17 -1.782 12.227 -11.800 10 HA HIS 17 HA HIS 17 -1.243 14.973 -12.850 11 HB2 HIS 17 HB3 HIS 17 0.082 13.408 -10.615 12 HB3 HIS 17 HB2 HIS 17 0.619 14.991 -11.174 13 HD1 HIS 17 HD1 HIS 17 -2.853 15.218 -11.567 14 HD2 HIS 17 HD2 HIS 17 -0.398 15.238 -8.199 15 HE1 HIS 17 HE1 HIS 17 -4.198 16.288 -9.708 16 H GLU 18 H GLU 18 1.554 14.874 -12.784 17 HA GLU 18 HA GLU 18 2.104 12.848 -14.916 18 HB2 GLU 18 HB2 GLU 18 3.421 15.542 -14.451 19 HB3 GLU 18 HB3 GLU 18 3.803 14.423 -15.759 20 HG2 GLU 18 HG2 GLU 18 1.067 15.646 -15.289 21 HG3 GLU 18 HG3 GLU 18 2.236 16.240 -16.467 22 H TRP 19 H TRP 19 4.385 12.060 -14.964 23 HA TRP 19 HA TRP 19 5.339 11.594 -12.195 24 HB2 TRP 19 HB3 TRP 19 5.000 9.716 -13.898 25 HB3 TRP 19 HB2 TRP 19 6.412 10.356 -14.740 26 HD1 TRP 19 HD1 TRP 19 5.427 9.056 -11.238 27 HE1 TRP 19 HE1 TRP 19 7.510 7.978 -10.166 28 HE3 TRP 19 HE3 TRP 19 8.903 10.086 -14.834 29 HZ2 TRP 19 HZ2 TRP 19 10.284 7.602 -10.756 30 HZ3 TRP 19 HZ3 TRP 19 11.255 9.358 -14.555 31 HH2 TRP 19 HH2 TRP 19 11.950 8.119 -12.523 32 H GLY 20 H GLY 20 7.451 12.150 -11.535 33 HA2 GLY 20 HA3 GLY 20 9.623 13.109 -11.765 34 HA3 GLY 20 HA2 GLY 20 9.253 13.479 -13.449 35 H GLU 21 H GLU 21 6.610 14.477 -11.765 36 HA GLU 21 HA GLU 21 7.074 17.248 -12.170 37 HB2 GLU 21 HB2 GLU 21 5.181 15.844 -10.263 38 HB3 GLU 21 HB3 GLU 21 5.126 17.570 -10.621 39 HG2 GLU 21 HG2 GLU 21 4.888 16.975 -13.061 40 HG3 GLU 21 HG3 GLU 21 4.731 15.287 -12.575 41 H LEU 22 H LEU 22 8.249 18.701 -11.011 42 HA LEU 22 HA LEU 22 9.420 17.803 -8.432 43 HB2 LEU 22 HB2 LEU 22 10.934 18.724 -10.173 44 HB3 LEU 22 HB3 LEU 22 10.045 20.247 -10.121 45 HG LEU 22 HG LEU 22 10.915 19.282 -7.478 46 HD11 LEU 22 HD21 LEU 22 12.890 19.879 -9.680 47 HD12 LEU 22 HD22 LEU 22 12.901 18.542 -8.531 48 HD13 LEU 22 HD23 LEU 22 13.288 20.174 -7.987 49 HD21 LEU 22 HD11 LEU 22 10.085 21.468 -7.511 50 HD22 LEU 22 HD12 LEU 22 10.852 21.839 -9.056 51 HD23 LEU 22 HD13 LEU 22 11.826 21.743 -7.589 52 H VAL 23 H VAL 23 8.884 18.788 -6.496 53 HA VAL 23 HA VAL 23 7.114 21.190 -6.624 54 HB VAL 23 HB VAL 23 5.755 20.247 -4.796 55 HG11 VAL 23 HG21 VAL 23 6.019 19.024 -7.462 56 HG12 VAL 23 HG22 VAL 23 4.579 19.622 -6.636 57 HG13 VAL 23 HG23 VAL 23 5.189 18.004 -6.286 58 HG21 VAL 23 HG11 VAL 23 6.719 18.653 -3.522 59 HG22 VAL 23 HG12 VAL 23 7.963 18.354 -4.735 60 HG23 VAL 23 HG13 VAL 23 6.410 17.523 -4.840 61 H GLN 24 H GLN 24 7.322 22.608 -4.808 62 HA GLN 24 HA GLN 24 9.852 22.191 -3.286 63 HB2 GLN 24 HB2 GLN 24 9.763 24.269 -4.570 64 HB3 GLN 24 HB3 GLN 24 8.230 24.701 -3.812 65 HG2 GLN 24 HG3 GLN 24 9.366 24.698 -1.593 66 HG3 GLN 24 HG2 GLN 24 10.896 24.366 -2.404 67 HE21 GLN 24 HE21 GLN 24 12.089 26.255 -2.659 68 HE22 GLN 24 HE22 GLN 24 11.438 27.790 -2.971 69 H LEU 25 H LEU 25 9.418 21.224 -1.347 70 HA LEU 25 HA LEU 25 6.867 21.488 -0.001 71 HB2 LEU 25 HB2 LEU 25 8.339 19.490 0.238 72 HB3 LEU 25 HB3 LEU 25 9.513 20.488 1.096 73 HG LEU 25 HG LEU 25 7.622 21.075 2.714 74 HD11 LEU 25 HD11 LEU 25 6.120 19.668 0.796 75 HD12 LEU 25 HD12 LEU 25 5.556 20.243 2.365 76 HD13 LEU 25 HD13 LEU 25 6.190 18.605 2.202 77 HD21 LEU 25 HD21 LEU 25 9.437 18.994 2.683 78 HD22 LEU 25 HD22 LEU 25 7.912 18.164 2.991 79 HD23 LEU 25 HD23 LEU 25 8.447 19.454 4.069 80 H ASP 26 H ASP 26 10.057 22.999 0.378 81 HA ASP 26 HA ASP 26 8.758 25.095 2.033 82 HB2 ASP 26 HB3 ASP 26 10.752 23.142 2.958 83 HB3 ASP 26 HB2 ASP 26 11.209 24.815 3.273 84 HA PRO 27 HA PRO 27 11.369 27.963 -0.115 85 HB2 PRO 27 HB2 PRO 27 12.543 29.458 1.814 86 HB3 PRO 27 HB3 PRO 27 10.835 29.603 1.389 87 HG2 PRO 27 HG3 PRO 27 12.103 28.084 3.644 88 HG3 PRO 27 HG2 PRO 27 10.684 29.137 3.677 89 HD2 PRO 27 HD3 PRO 27 10.434 26.464 3.600 90 HD3 PRO 27 HD2 PRO 27 9.302 27.515 2.747 91 H GLN 28 H GLN 28 12.755 25.607 1.865 92 HA GLN 28 HA GLN 28 15.401 26.070 0.582 93 HB2 GLN 28 HB2 GLN 28 14.944 25.457 3.518 94 HB3 GLN 28 HB3 GLN 28 16.516 25.431 2.722 95 HG2 GLN 28 HG2 GLN 28 16.267 27.806 2.123 96 HG3 GLN 28 HG3 GLN 28 14.676 27.839 2.885 97 HE21 GLN 28 HE21 GLN 28 16.859 29.521 3.772 98 HE22 GLN 28 HE22 GLN 28 17.295 29.029 5.337 99 H THR 29 H THR 29 12.864 24.092 0.776 100 HA THR 29 HA THR 29 14.568 21.659 0.468 101 HB THR 29 HB THR 29 11.909 21.822 1.922 102 HG1 THR 29 HG1 THR 29 13.416 20.934 3.597 103 HG21 THR 29 HG21 THR 29 12.267 19.422 2.355 104 HG22 THR 29 HG22 THR 29 13.731 19.463 1.373 105 HG23 THR 29 HG23 THR 29 12.158 19.742 0.624 106 H VAL 30 H VAL 30 14.029 20.432 -1.319 107 HA VAL 30 HA VAL 30 11.515 21.184 -2.756 108 HB VAL 30 HB VAL 30 12.789 20.757 -4.882 109 HG11 VAL 30 HG21 VAL 30 13.376 22.964 -4.986 110 HG12 VAL 30 HG22 VAL 30 14.362 22.872 -3.527 111 HG13 VAL 30 HG23 VAL 30 12.611 23.031 -3.398 112 HG21 VAL 30 HG11 VAL 30 14.570 19.360 -3.892 113 HG22 VAL 30 HG12 VAL 30 15.159 20.755 -2.986 114 HG23 VAL 30 HG13 VAL 30 15.254 20.743 -4.747 115 H GLY 31 H GLY 31 10.792 19.417 -4.279 116 HA2 GLY 31 HA2 GLY 31 11.811 16.717 -3.714 117 HA3 GLY 31 HA3 GLY 31 10.182 17.036 -3.123 118 H VAL 32 H VAL 32 10.329 15.082 -4.973 119 HA VAL 32 HA VAL 32 9.050 16.353 -7.328 120 HB VAL 32 HB VAL 32 11.259 16.059 -8.176 121 HG11 VAL 32 HG21 VAL 32 12.015 14.606 -6.282 122 HG12 VAL 32 HG22 VAL 32 12.560 14.034 -7.858 123 HG13 VAL 32 HG23 VAL 32 11.204 13.244 -7.056 124 HG21 VAL 32 HG11 VAL 32 9.627 13.610 -8.912 125 HG22 VAL 32 HG12 VAL 32 10.988 14.243 -9.838 126 HG23 VAL 32 HG13 VAL 32 9.512 15.195 -9.677 127 H ILE 33 H ILE 33 7.500 14.992 -8.332 128 HA ILE 33 HA ILE 33 6.365 12.963 -6.596 129 HB ILE 33 HB ILE 33 5.685 13.895 -9.394 130 HG12 ILE 33 HG13 ILE 33 4.134 14.167 -6.809 131 HG13 ILE 33 HG12 ILE 33 5.281 15.386 -7.369 132 HG21 ILE 33 HG21 ILE 33 3.544 12.461 -8.156 133 HG22 ILE 33 HG22 ILE 33 4.977 11.434 -8.123 134 HG23 ILE 33 HG23 ILE 33 4.387 12.075 -9.656 135 HD11 ILE 33 HD11 ILE 33 3.566 16.262 -8.556 136 HD12 ILE 33 HD12 ILE 33 2.562 14.837 -8.289 137 HD13 ILE 33 HD13 ILE 33 3.722 14.862 -9.617 138 H VAL 34 H VAL 34 6.721 10.794 -6.653 139 HA VAL 34 HA VAL 34 8.096 9.669 -9.057 140 HB VAL 34 HB VAL 34 9.782 9.727 -7.371 141 HG11 VAL 34 HG11 VAL 34 9.423 9.085 -5.075 142 HG12 VAL 34 HG12 VAL 34 7.813 8.467 -5.444 143 HG13 VAL 34 HG13 VAL 34 8.129 10.201 -5.513 144 HG21 VAL 34 HG21 VAL 34 9.079 7.021 -6.612 145 HG22 VAL 34 HG22 VAL 34 10.360 7.573 -7.691 146 HG23 VAL 34 HG23 VAL 34 8.737 7.291 -8.321 147 H ARG 35 H ARG 35 5.914 9.115 -6.325 148 HA ARG 35 HA ARG 35 4.897 6.683 -7.741 149 HB2 ARG 35 HB2 ARG 35 5.818 6.368 -5.400 150 HB3 ARG 35 HB3 ARG 35 4.506 7.394 -4.820 151 HG2 ARG 35 HG2 ARG 35 2.866 5.831 -5.858 152 HG3 ARG 35 HG3 ARG 35 4.202 4.785 -6.342 153 HD2 ARG 35 HD2 ARG 35 4.856 4.556 -3.955 154 HD3 ARG 35 HD3 ARG 35 3.474 5.549 -3.497 155 HE ARG 35 HE ARG 35 2.052 3.699 -3.932 156 HH11 ARG 35 HH11 ARG 35 5.170 2.643 -3.703 157 HH12 ARG 35 HH12 ARG 35 4.977 1.223 -4.677 158 HH21 ARG 35 HH21 ARG 35 1.818 2.105 -5.806 159 HH22 ARG 35 HH22 ARG 35 3.080 0.918 -5.866 160 H LEU 36 H LEU 36 3.131 7.284 -8.915 161 HA LEU 36 HA LEU 36 1.398 9.467 -7.938 162 HB2 LEU 36 HB2 LEU 36 1.564 7.897 -10.511 163 HB3 LEU 36 HB3 LEU 36 0.192 8.950 -10.163 164 HG LEU 36 HG LEU 36 1.643 10.874 -9.944 165 HD11 LEU 36 HD21 LEU 36 3.594 10.138 -8.893 166 HD12 LEU 36 HD22 LEU 36 4.161 10.397 -10.542 167 HD13 LEU 36 HD23 LEU 36 3.785 8.767 -9.986 168 HD21 LEU 36 HD11 LEU 36 2.994 9.829 -12.315 169 HD22 LEU 36 HD12 LEU 36 1.807 11.127 -12.185 170 HD23 LEU 36 HD13 LEU 36 1.271 9.452 -12.312 171 H GLU 37 H GLU 37 -0.468 9.091 -6.860 172 HA GLU 37 HA GLU 37 -1.776 6.428 -7.169 173 HB2 GLU 37 HB2 GLU 37 -1.277 7.887 -4.554 174 HB3 GLU 37 HB3 GLU 37 -2.257 6.433 -4.727 175 HG2 GLU 37 HG2 GLU 37 -0.256 5.261 -5.673 176 HG3 GLU 37 HG3 GLU 37 0.702 6.703 -5.337 177 H ARG 38 H ARG 38 -4.103 6.511 -6.595 178 HA ARG 38 HA ARG 38 -5.295 9.023 -7.504 179 HB2 ARG 38 HB2 ARG 38 -6.201 6.808 -8.184 180 HB3 ARG 38 HB3 ARG 38 -6.635 6.494 -6.504 181 HG2 ARG 38 HG2 ARG 38 -8.078 8.508 -6.512 182 HG3 ARG 38 HG3 ARG 38 -7.662 8.790 -8.202 183 HD2 ARG 38 HD2 ARG 38 -9.752 7.632 -8.236 184 HD3 ARG 38 HD3 ARG 38 -8.534 6.428 -8.661 185 HE ARG 38 HE ARG 38 -9.073 5.289 -6.673 186 HH11 ARG 38 HH11 ARG 38 -8.606 6.442 -4.352 187 HH12 ARG 38 HH12 ARG 38 -10.046 7.223 -3.791 188 HH21 ARG 38 HH21 ARG 38 -11.579 7.221 -6.902 189 HH22 ARG 38 HH22 ARG 38 -11.729 7.665 -5.235 190 H GLU 39 H GLU 39 -4.984 7.272 -4.451 191 HA GLU 39 HA GLU 39 -6.839 8.949 -2.997 192 HB2 GLU 39 HB2 GLU 39 -6.150 6.668 -2.248 193 HB3 GLU 39 HB3 GLU 39 -4.534 7.296 -1.923 194 HG2 GLU 39 HG2 GLU 39 -5.539 8.955 -0.350 195 HG3 GLU 39 HG3 GLU 39 -7.116 8.216 -0.623 196 H THR 40 H THR 40 -3.356 9.068 -3.617 197 HA THR 40 HA THR 40 -3.294 11.905 -2.985 198 HB THR 40 HB THR 40 -1.284 10.809 -1.263 199 HG1 THR 40 HG1 THR 40 -2.991 9.963 0.246 200 HG21 THR 40 HG21 THR 40 -2.644 12.091 0.446 201 HG22 THR 40 HG22 THR 40 -3.814 12.410 -0.834 202 HG23 THR 40 HG23 THR 40 -2.167 13.024 -0.973 203 H PHE 41 H PHE 41 -0.800 12.585 -2.955 204 HA PHE 41 HA PHE 41 0.551 10.947 -5.065 205 HB2 PHE 41 HB2 PHE 41 0.518 13.951 -4.659 206 HB3 PHE 41 HB3 PHE 41 1.586 13.126 -5.795 207 HD1 PHE 41 HD1 PHE 41 0.560 11.697 -7.627 208 HD2 PHE 41 HD2 PHE 41 -1.756 14.380 -5.199 209 HE1 PHE 41 HE1 PHE 41 -1.270 11.631 -9.300 210 HE2 PHE 41 HE2 PHE 41 -3.586 14.314 -6.872 211 HZ PHE 41 HZ PHE 41 -3.343 12.939 -8.921 212 H GLN 42 H GLN 42 2.756 10.539 -4.778 213 HA GLN 42 HA GLN 42 3.895 11.459 -2.168 214 HB2 GLN 42 HB2 GLN 42 4.465 8.907 -3.708 215 HB3 GLN 42 HB3 GLN 42 5.220 9.372 -2.184 216 HG2 GLN 42 HG2 GLN 42 2.969 9.432 -1.120 217 HG3 GLN 42 HG3 GLN 42 2.261 8.879 -2.638 218 HE21 GLN 42 HE21 GLN 42 1.908 7.248 -0.402 219 HE22 GLN 42 HE22 GLN 42 2.891 5.869 -0.513 220 H VAL 43 H VAL 43 5.784 12.596 -2.279 221 HA VAL 43 HA VAL 43 7.245 12.568 -4.887 222 HB VAL 43 HB VAL 43 7.537 14.891 -4.818 223 HG11 VAL 43 HG21 VAL 43 5.286 15.856 -4.222 224 HG12 VAL 43 HG22 VAL 43 4.856 14.286 -3.540 225 HG13 VAL 43 HG23 VAL 43 5.203 14.433 -5.263 226 HG21 VAL 43 HG11 VAL 43 8.389 14.945 -2.484 227 HG22 VAL 43 HG12 VAL 43 6.730 14.844 -1.894 228 HG23 VAL 43 HG13 VAL 43 7.256 16.259 -2.806 229 H LEU 44 H LEU 44 9.574 12.978 -4.692 230 HA LEU 44 HA LEU 44 10.647 11.774 -2.214 231 HB2 LEU 44 HB2 LEU 44 11.346 11.035 -4.553 232 HB3 LEU 44 HB3 LEU 44 12.194 12.576 -4.687 233 HG LEU 44 HG LEU 44 13.356 11.967 -2.493 234 HD11 LEU 44 HD11 LEU 44 13.276 9.733 -1.713 235 HD12 LEU 44 HD12 LEU 44 12.518 9.154 -3.196 236 HD13 LEU 44 HD13 LEU 44 11.592 10.129 -2.055 237 HD21 LEU 44 HD21 LEU 44 13.742 10.671 -5.154 238 HD22 LEU 44 HD22 LEU 44 14.703 10.058 -3.808 239 HD23 LEU 44 HD23 LEU 44 14.813 11.758 -4.268 240 H ASN 45 H ASN 45 11.282 13.120 -0.598 241 HA ASN 45 HA ASN 45 11.543 15.956 -0.907 242 HB2 ASN 45 HB2 ASN 45 11.082 14.712 1.256 243 HB3 ASN 45 HB3 ASN 45 12.791 14.279 1.284 244 HD21 ASN 45 HD21 ASN 45 12.288 15.731 3.427 245 HD22 ASN 45 HD22 ASN 45 12.657 17.379 3.247 246 H MET 46 H MET 46 13.406 17.247 -1.078 247 HA MET 46 HA MET 46 15.505 16.462 -2.717 248 HB2 MET 46 HB2 MET 46 15.165 18.800 -2.199 249 HB3 MET 46 HB3 MET 46 15.519 18.520 -0.494 250 HG2 MET 46 HG2 MET 46 17.821 17.830 -1.096 251 HG3 MET 46 HG3 MET 46 17.464 18.147 -2.794 252 HE1 MET 46 HE1 MET 46 16.739 20.039 0.677 253 HE2 MET 46 HE2 MET 46 18.173 21.062 0.629 254 HE3 MET 46 HE3 MET 46 18.348 19.310 0.584 255 H TYR 47 H TYR 47 15.294 16.112 0.802 256 HA TYR 47 HA TYR 47 18.011 15.321 1.231 257 HB2 TYR 47 HB2 TYR 47 15.492 14.568 2.745 258 HB3 TYR 47 HB3 TYR 47 17.132 14.273 3.320 259 HD1 TYR 47 HD1 TYR 47 17.757 17.115 1.654 260 HD2 TYR 47 HD2 TYR 47 15.394 15.848 5.013 261 HE1 TYR 47 HE1 TYR 47 17.843 19.413 2.583 262 HE2 TYR 47 HE2 TYR 47 15.481 18.146 5.938 263 HH TYR 47 HH TYR 47 17.176 20.764 4.205 264 H GLY 48 H GLY 48 15.521 13.780 -0.464 265 HA2 GLY 48 HA3 GLY 48 15.840 11.751 -1.714 266 HA3 GLY 48 HA2 GLY 48 17.127 11.296 -0.595 267 H LYS 49 H LYS 49 13.855 12.426 0.193 268 HA LYS 49 HA LYS 49 13.360 9.751 1.451 269 HB2 LYS 49 HB2 LYS 49 13.744 11.634 3.082 270 HB3 LYS 49 HB3 LYS 49 12.309 12.422 2.425 271 HG2 LYS 49 HG2 LYS 49 10.971 10.404 3.000 272 HG3 LYS 49 HG3 LYS 49 12.409 9.681 3.722 273 HD2 LYS 49 HD2 LYS 49 12.562 11.668 5.252 274 HD3 LYS 49 HD3 LYS 49 11.022 12.230 4.601 275 HE2 LYS 49 HE2 LYS 49 10.096 9.920 5.246 276 HE3 LYS 49 HE3 LYS 49 11.571 9.720 6.192 277 HZ1 LYS 49 HZ1 LYS 49 9.302 10.956 7.030 278 HZ2 LYS 49 HZ2 LYS 49 10.308 12.258 6.610 279 HZ3 LYS 49 HZ3 LYS 49 10.831 11.108 7.747 280 H VAL 50 H VAL 50 11.211 8.949 1.304 281 HA VAL 50 HA VAL 50 9.601 10.252 -0.844 282 HB VAL 50 HB VAL 50 9.436 7.420 0.233 283 HG11 VAL 50 HG11 VAL 50 7.394 8.556 -0.885 284 HG12 VAL 50 HG12 VAL 50 7.908 6.995 -1.522 285 HG13 VAL 50 HG13 VAL 50 8.339 8.479 -2.372 286 HG21 VAL 50 HG21 VAL 50 10.481 8.160 -2.481 287 HG22 VAL 50 HG22 VAL 50 10.818 6.728 -1.510 288 HG23 VAL 50 HG23 VAL 50 11.557 8.273 -1.089 289 H VAL 51 H VAL 51 7.776 11.290 -0.215 290 HA VAL 51 HA VAL 51 6.367 10.316 2.227 291 HB VAL 51 HB VAL 51 6.001 12.646 2.945 292 HG11 VAL 51 HG11 VAL 51 8.780 13.042 2.903 293 HG12 VAL 51 HG12 VAL 51 8.568 11.292 2.839 294 HG13 VAL 51 HG13 VAL 51 7.853 12.220 4.158 295 HG21 VAL 51 HG21 VAL 51 6.246 14.298 1.435 296 HG22 VAL 51 HG22 VAL 51 6.961 13.172 0.281 297 HG23 VAL 51 HG23 VAL 51 7.986 14.011 1.446 298 H THR 52 H THR 52 4.078 11.146 2.289 299 HA THR 52 HA THR 52 3.013 11.292 -0.491 300 HB THR 52 HB THR 52 1.538 10.672 2.085 301 HG1 THR 52 HG1 THR 52 2.548 8.850 1.877 302 HG21 THR 52 HG21 THR 52 0.040 11.473 0.372 303 HG22 THR 52 HG22 THR 52 -0.130 9.720 0.453 304 HG23 THR 52 HG23 THR 52 0.811 10.454 -0.845 305 H VAL 53 H VAL 53 1.497 12.924 -1.047 306 HA VAL 53 HA VAL 53 1.034 15.061 0.973 307 HB VAL 53 HB VAL 53 1.673 16.798 -0.614 308 HG11 VAL 53 HG21 VAL 53 3.790 16.590 0.120 309 HG12 VAL 53 HG22 VAL 53 4.093 15.305 -1.049 310 HG13 VAL 53 HG23 VAL 53 3.450 14.913 0.546 311 HG21 VAL 53 HG11 VAL 53 2.126 14.444 -2.458 312 HG22 VAL 53 HG12 VAL 53 2.817 16.036 -2.768 313 HG23 VAL 53 HG13 VAL 53 1.067 15.829 -2.714 314 H ARG 54 H ARG 54 -0.944 16.141 0.683 315 HA ARG 54 HA ARG 54 -2.908 14.751 -0.965 316 HB2 ARG 54 HB2 ARG 54 -3.132 17.281 0.696 317 HB3 ARG 54 HB3 ARG 54 -4.490 16.431 -0.040 318 HG2 ARG 54 HG2 ARG 54 -3.893 14.397 1.257 319 HG3 ARG 54 HG3 ARG 54 -2.584 15.293 2.029 320 HD2 ARG 54 HD2 ARG 54 -4.276 16.941 2.864 321 HD3 ARG 54 HD3 ARG 54 -5.548 15.917 2.199 322 HE ARG 54 HE ARG 54 -3.857 14.360 3.918 323 HH11 ARG 54 HH11 ARG 54 -4.074 14.767 6.251 324 HH12 ARG 54 HH12 ARG 54 -5.641 15.271 6.792 325 HH21 ARG 54 HH21 ARG 54 -6.833 15.900 3.597 326 HH22 ARG 54 HH22 ARG 54 -7.202 15.913 5.290 327 H HIS 55 H HIS 55 -4.240 15.870 -2.597 328 HA HIS 55 HA HIS 55 -2.784 17.101 -4.647 329 HB2 HIS 55 HB2 HIS 55 -5.028 16.205 -5.019 330 HB3 HIS 55 HB3 HIS 55 -5.721 17.440 -3.969 331 HD1 HIS 55 HD1 HIS 55 -6.117 19.748 -4.960 332 HD2 HIS 55 HD2 HIS 55 -3.976 17.253 -7.522 333 HE1 HIS 55 HE1 HIS 55 -5.978 20.954 -7.184 334 H GLN 56 H GLN 56 -4.433 18.599 -1.894 335 HA GLN 56 HA GLN 56 -3.796 21.307 -2.846 336 HB2 GLN 56 HB2 GLN 56 -4.926 20.359 -0.193 337 HB3 GLN 56 HB3 GLN 56 -4.838 22.036 -0.731 338 HG2 GLN 56 HG2 GLN 56 -6.318 21.552 -2.610 339 HG3 GLN 56 HG3 GLN 56 -6.340 19.840 -2.187 340 HE21 GLN 56 HE21 GLN 56 -8.789 21.227 -2.269 341 HE22 GLN 56 HE22 GLN 56 -9.376 21.458 -0.693 342 H ALA 57 H ALA 57 -1.883 18.969 -1.689 343 HA ALA 57 HA ALA 57 -0.284 20.845 0.007 344 HB1 ALA 57 HB1 ALA 57 -1.200 18.500 0.867 345 HB2 ALA 57 HB2 ALA 57 0.409 19.065 1.319 346 HB3 ALA 57 HB3 ALA 57 0.220 17.895 0.013 347 H VAL 58 H VAL 58 -0.218 20.810 -2.897 348 HA VAL 58 HA VAL 58 2.623 19.954 -3.253 349 HB VAL 58 HB VAL 58 1.670 19.748 -5.790 350 HG11 VAL 58 HG11 VAL 58 3.032 18.083 -4.618 351 HG12 VAL 58 HG12 VAL 58 1.650 17.299 -5.382 352 HG13 VAL 58 HG13 VAL 58 1.641 17.604 -3.646 353 HG21 VAL 58 HG21 VAL 58 -0.555 18.739 -3.991 354 HG22 VAL 58 HG22 VAL 58 -0.477 18.581 -5.746 355 HG23 VAL 58 HG23 VAL 58 -0.661 20.174 -5.011 356 H THR 59 H THR 59 3.621 21.132 -5.187 357 HA THR 59 HA THR 59 2.527 23.917 -5.312 358 HB THR 59 HB THR 59 4.782 24.749 -5.392 359 HG1 THR 59 HG1 THR 59 5.680 23.124 -6.669 360 HG21 THR 59 HG21 THR 59 4.604 22.534 -3.330 361 HG22 THR 59 HG22 THR 59 3.957 24.164 -3.145 362 HG23 THR 59 HG23 THR 59 5.699 23.916 -3.259 363 H ARG 60 H ARG 60 2.943 25.047 -7.362 364 HA ARG 60 HA ARG 60 2.431 23.379 -9.654 365 HB2 ARG 60 HB2 ARG 60 3.282 26.286 -9.486 366 HB3 ARG 60 HB3 ARG 60 2.694 25.489 -10.946 367 HG2 ARG 60 HG2 ARG 60 1.123 25.660 -8.358 368 HG3 ARG 60 HG3 ARG 60 0.915 26.770 -9.713 369 HD2 ARG 60 HD2 ARG 60 0.422 24.795 -11.180 370 HD3 ARG 60 HD3 ARG 60 0.485 23.768 -9.748 371 HE ARG 60 HE ARG 60 -1.498 25.991 -10.034 372 HH11 ARG 60 HH11 ARG 60 -1.054 22.654 -10.098 373 HH12 ARG 60 HH12 ARG 60 -2.355 22.287 -9.017 374 HH21 ARG 60 HH21 ARG 60 -2.965 25.602 -8.201 375 HH22 ARG 60 HH22 ARG 60 -3.438 23.956 -7.942 376 H LYS 61 H LYS 61 3.834 22.722 -11.298 377 HA LYS 61 HA LYS 61 6.712 22.802 -10.603 378 HB2 LYS 61 HB2 LYS 61 6.977 21.053 -12.252 379 HB3 LYS 61 HB3 LYS 61 5.561 20.656 -11.277 380 HG2 LYS 61 HG2 LYS 61 4.123 21.730 -13.027 381 HG3 LYS 61 HG3 LYS 61 5.564 21.955 -14.019 382 HD2 LYS 61 HD2 LYS 61 5.949 19.451 -13.832 383 HD3 LYS 61 HD3 LYS 61 4.345 19.338 -13.107 384 HE2 LYS 61 HE2 LYS 61 3.309 19.609 -15.105 385 HE3 LYS 61 HE3 LYS 61 4.385 20.925 -15.576 386 HZ1 LYS 61 HZ1 LYS 61 5.919 19.477 -16.453 387 HZ2 LYS 61 HZ2 LYS 61 4.465 18.690 -16.846 388 HZ3 LYS 61 HZ3 LYS 61 5.392 18.161 -15.524 389 H LYS 62 H LYS 62 8.249 23.836 -11.882 390 HA LYS 62 HA LYS 62 7.153 25.548 -14.073 391 HB2 LYS 62 HB2 LYS 62 9.603 25.906 -12.321 392 HB3 LYS 62 HB3 LYS 62 9.170 26.971 -13.658 393 HG2 LYS 62 HG2 LYS 62 6.973 27.404 -12.542 394 HG3 LYS 62 HG3 LYS 62 7.517 26.435 -11.171 395 HD2 LYS 62 HD2 LYS 62 9.482 27.980 -10.938 396 HD3 LYS 62 HD3 LYS 62 8.785 28.990 -12.204 397 HE2 LYS 62 HE2 LYS 62 7.114 28.232 -9.824 398 HE3 LYS 62 HE3 LYS 62 8.283 29.544 -9.682 399 HZ1 LYS 62 HZ1 LYS 62 6.309 30.556 -10.365 400 HZ2 LYS 62 HZ2 LYS 62 5.963 29.344 -11.505 401 HZ3 LYS 62 HZ3 LYS 62 7.229 30.442 -11.785 402 H ASP 63 H ASP 63 8.347 25.673 -16.047 403 HA ASP 63 HA ASP 63 9.552 23.235 -16.919 404 HB2 ASP 63 HB2 ASP 63 9.661 26.032 -18.086 405 HB3 ASP 63 HB3 ASP 63 10.265 24.597 -18.913 406 H ASN 64 H ASN 64 11.687 22.580 -16.963 407 HA ASN 64 HA ASN 64 13.629 24.345 -15.559 408 HB2 ASN 64 HB2 ASN 64 14.970 22.296 -15.279 409 HB3 ASN 64 HB3 ASN 64 13.333 22.057 -14.670 410 HD21 ASN 64 HD21 ASN 64 13.490 19.713 -15.073 411 HD22 ASN 64 HD22 ASN 64 13.391 19.098 -16.652 412 H ARG 65 H ARG 65 12.704 23.945 -18.631 413 HA ARG 65 HA ARG 65 14.996 23.270 -20.131 414 HB2 ARG 65 HB2 ARG 65 12.732 23.715 -21.092 415 HB3 ARG 65 HB3 ARG 65 12.981 25.437 -20.800 416 HG2 ARG 65 HG2 ARG 65 15.024 25.347 -22.226 417 HG3 ARG 65 HG3 ARG 65 14.677 23.653 -22.574 418 HD2 ARG 65 HD2 ARG 65 12.811 25.969 -23.174 419 HD3 ARG 65 HD3 ARG 65 13.836 25.164 -24.363 420 HE ARG 65 HE ARG 65 12.027 23.374 -22.898 421 HH11 ARG 65 HH11 ARG 65 11.496 25.863 -25.055 422 HH12 ARG 65 HH12 ARG 65 10.800 24.883 -26.302 423 HH21 ARG 65 HH21 ARG 65 11.597 21.883 -24.757 424 HH22 ARG 65 HH22 ARG 65 10.857 22.629 -26.133 425 H PHE 66 H PHE 66 14.067 26.404 -18.714 426 HA PHE 66 HA PHE 66 16.540 27.660 -19.688 427 HB2 PHE 66 HB2 PHE 66 15.707 29.671 -18.606 428 HB3 PHE 66 HB3 PHE 66 14.380 28.919 -19.490 429 HD1 PHE 66 HD1 PHE 66 12.564 27.768 -18.312 430 HD2 PHE 66 HD2 PHE 66 15.780 29.642 -16.166 431 HE1 PHE 66 HE1 PHE 66 11.256 27.610 -16.211 432 HE2 PHE 66 HE2 PHE 66 14.471 29.483 -14.065 433 HZ PHE 66 HZ PHE 66 12.209 28.467 -14.088 434 H ALA 67 H ALA 67 15.784 25.621 -17.150 435 HA ALA 67 HA ALA 67 17.437 26.881 -15.097 436 HB1 ALA 67 HB1 ALA 67 17.177 24.152 -14.491 437 HB2 ALA 67 HB2 ALA 67 15.672 24.584 -15.301 438 HB3 ALA 67 HB3 ALA 67 16.184 25.468 -13.864 439 H VAL 68 H VAL 68 19.597 27.034 -15.545 440 HA VAL 68 HA VAL 68 20.959 24.554 -16.517 441 HB VAL 68 HB VAL 68 22.549 25.977 -17.728 442 HG11 VAL 68 HG11 VAL 68 20.503 27.258 -19.072 443 HG12 VAL 68 HG12 VAL 68 19.659 25.938 -18.261 444 HG13 VAL 68 HG13 VAL 68 21.006 25.589 -19.345 445 HG21 VAL 68 HG21 VAL 68 22.240 28.390 -17.850 446 HG22 VAL 68 HG22 VAL 68 22.375 27.917 -16.156 447 HG23 VAL 68 HG23 VAL 68 20.795 28.288 -16.845 448 H ALA 69 H ALA 69 23.184 24.317 -15.725 449 HA ALA 69 HA ALA 69 23.877 26.033 -13.396 450 HB1 ALA 69 HB1 ALA 69 22.667 24.075 -12.494 451 HB2 ALA 69 HB2 ALA 69 24.367 24.041 -12.025 452 HB3 ALA 69 HB3 ALA 69 23.791 23.001 -13.326 453 H LEU 70 H LEU 70 26.143 26.076 -12.959 454 HA LEU 70 HA LEU 70 27.796 25.162 -15.245 455 HB2 LEU 70 HB2 LEU 70 27.941 27.536 -14.448 456 HB3 LEU 70 HB3 LEU 70 28.569 26.938 -12.913 457 HG LEU 70 HG LEU 70 30.412 25.798 -14.187 458 HD11 LEU 70 HD11 LEU 70 30.788 26.486 -16.521 459 HD12 LEU 70 HD12 LEU 70 29.306 27.443 -16.485 460 HD13 LEU 70 HD13 LEU 70 29.225 25.686 -16.360 461 HD21 LEU 70 HD21 LEU 70 31.257 28.261 -15.053 462 HD22 LEU 70 HD22 LEU 70 31.350 27.707 -13.380 463 HD23 LEU 70 HD23 LEU 70 29.993 28.704 -13.904 464 H ASP 71 H ASP 71 29.402 23.619 -15.011 465 HA ASP 71 HA ASP 71 29.373 22.075 -12.496 466 HB2 ASP 71 HB3 ASP 71 29.313 20.971 -14.762 467 HB3 ASP 71 HB2 ASP 71 30.958 21.548 -15.022 468 H SER 72 H SER 72 30.906 22.308 -10.950 469 HA SER 72 HA SER 72 32.829 24.326 -10.876 470 HB2 SER 72 HB2 SER 72 33.082 21.601 -9.569 471 HB3 SER 72 HB3 SER 72 33.890 23.083 -9.059 472 HG SER 72 HG SER 72 32.155 23.625 -8.043 473 H GLU 73 H GLU 73 32.975 21.312 -12.594 474 HA GLU 73 HA GLU 73 35.899 21.447 -12.933 475 HB2 GLU 73 HB2 GLU 73 34.516 19.285 -12.788 476 HB3 GLU 73 HB3 GLU 73 33.994 19.645 -14.434 477 HG2 GLU 73 HG2 GLU 73 36.386 19.754 -15.131 478 HG3 GLU 73 HG3 GLU 73 36.858 19.291 -13.496 479 H GLN 74 H GLN 74 34.017 23.603 -13.965 480 HA GLN 74 HA GLN 74 33.930 24.984 -15.856 481 HB2 GLN 74 HB2 GLN 74 36.229 23.234 -16.782 482 HB3 GLN 74 HB3 GLN 74 35.773 24.790 -17.476 483 HG2 GLN 74 HG2 GLN 74 36.179 25.863 -15.270 484 HG3 GLN 74 HG3 GLN 74 36.698 24.305 -14.626 485 HE21 GLN 74 HE21 GLN 74 38.459 26.596 -14.755 486 HE22 GLN 74 HE22 GLN 74 39.710 26.219 -15.837 487 H ASN 75 H ASN 75 32.161 22.779 -15.741 488 HA ASN 75 HA ASN 75 31.932 22.145 -18.654 489 HB2 ASN 75 HB2 ASN 75 31.144 20.298 -16.382 490 HB3 ASN 75 HB3 ASN 75 31.065 19.939 -18.105 491 HD21 ASN 75 HD21 ASN 75 32.735 18.669 -15.873 492 HD22 ASN 75 HD22 ASN 75 34.322 18.721 -16.471 493 H ASN 76 H ASN 76 29.689 21.865 -19.378 494 HA ASN 76 HA ASN 76 27.877 23.672 -17.907 495 HB2 ASN 76 HB2 ASN 76 27.494 22.254 -20.562 496 HB3 ASN 76 HB3 ASN 76 26.471 23.535 -19.913 497 HD21 ASN 76 HD21 ASN 76 28.466 25.291 -18.892 498 HD22 ASN 76 HD22 ASN 76 29.379 25.891 -20.190 499 H ILE 77 H ILE 77 26.054 23.000 -16.825 500 HA ILE 77 HA ILE 77 25.470 20.064 -16.878 501 HB ILE 77 HB ILE 77 25.118 22.021 -14.586 502 HG12 ILE 77 HG12 ILE 77 27.078 19.741 -14.994 503 HG13 ILE 77 HG13 ILE 77 27.477 21.459 -15.020 504 HG21 ILE 77 HG21 ILE 77 24.075 19.344 -15.142 505 HG22 ILE 77 HG22 ILE 77 23.603 20.491 -13.889 506 HG23 ILE 77 HG23 ILE 77 24.977 19.416 -13.628 507 HD11 ILE 77 HD11 ILE 77 27.355 21.655 -12.747 508 HD12 ILE 77 HD12 ILE 77 27.646 19.916 -12.786 509 HD13 ILE 77 HD13 ILE 77 26.001 20.531 -12.624 510 H HIS 78 H HIS 78 23.332 19.481 -17.219 511 HA HIS 78 HA HIS 78 21.351 21.715 -17.397 512 HB2 HIS 78 HB2 HIS 78 21.581 19.315 -19.238 513 HB3 HIS 78 HB3 HIS 78 20.341 20.564 -19.331 514 HD1 HIS 78 HD1 HIS 78 23.618 19.732 -20.617 515 HD2 HIS 78 HD2 HIS 78 21.605 23.279 -19.747 516 HE1 HIS 78 HE1 HIS 78 24.846 21.574 -21.847 517 H VAL 79 H VAL 79 19.106 21.018 -17.038 518 HA VAL 79 HA VAL 79 18.803 19.316 -14.778 519 HB VAL 79 HB VAL 79 16.790 20.289 -16.824 520 HG11 VAL 79 HG11 VAL 79 16.537 18.418 -14.546 521 HG12 VAL 79 HG12 VAL 79 15.489 18.632 -15.949 522 HG13 VAL 79 HG13 VAL 79 15.353 19.725 -14.573 523 HG21 VAL 79 HG21 VAL 79 16.818 22.194 -15.627 524 HG22 VAL 79 HG22 VAL 79 18.167 21.546 -14.694 525 HG23 VAL 79 HG23 VAL 79 16.511 21.299 -14.138 526 H LYS 80 H LYS 80 18.761 18.645 -18.215 527 HA LYS 80 HA LYS 80 18.084 15.798 -17.592 528 HB2 LYS 80 HB2 LYS 80 17.710 17.403 -20.136 529 HB3 LYS 80 HB3 LYS 80 17.468 15.659 -20.033 530 HG2 LYS 80 HG2 LYS 80 15.814 16.084 -18.173 531 HG3 LYS 80 HG3 LYS 80 15.961 17.808 -18.516 532 HD2 LYS 80 HD2 LYS 80 15.304 17.317 -20.894 533 HD3 LYS 80 HD3 LYS 80 14.992 15.650 -20.412 534 HE2 LYS 80 HE2 LYS 80 12.878 16.484 -20.071 535 HE3 LYS 80 HE3 LYS 80 13.569 16.919 -18.508 536 HZ1 LYS 80 HZ1 LYS 80 13.386 19.062 -18.984 537 HZ2 LYS 80 HZ2 LYS 80 12.479 18.631 -20.355 538 HZ3 LYS 80 HZ3 LYS 80 14.155 18.878 -20.485 539 H ASP 81 H ASP 81 20.243 15.151 -17.152 540 HA ASP 81 HA ASP 81 21.843 14.571 -19.511 541 HB2 ASP 81 HB2 ASP 81 22.356 17.029 -18.847 542 HB3 ASP 81 HB3 ASP 81 23.201 16.324 -17.469 543 H ILE 82 H ILE 82 24.087 13.630 -18.658 544 HA ILE 82 HA ILE 82 23.433 11.972 -16.256 545 HB ILE 82 HB ILE 82 25.302 11.311 -18.552 546 HG12 ILE 82 HG13 ILE 82 22.553 10.186 -17.943 547 HG13 ILE 82 HG12 ILE 82 22.863 11.415 -19.169 548 HG21 ILE 82 HG21 ILE 82 24.248 9.674 -16.225 549 HG22 ILE 82 HG22 ILE 82 25.911 10.217 -16.445 550 HG23 ILE 82 HG23 ILE 82 25.217 9.034 -17.552 551 HD11 ILE 82 HD11 ILE 82 22.988 8.667 -19.564 552 HD12 ILE 82 HD12 ILE 82 24.680 9.131 -19.388 553 HD13 ILE 82 HD13 ILE 82 23.682 9.890 -20.628 554 H VAL 83 H VAL 83 24.885 11.991 -14.565 555 HA VAL 83 HA VAL 83 27.494 13.377 -15.020 556 HB VAL 83 HB VAL 83 27.248 14.458 -12.812 557 HG11 VAL 83 HG21 VAL 83 26.455 15.612 -14.870 558 HG12 VAL 83 HG22 VAL 83 25.519 16.074 -13.448 559 HG13 VAL 83 HG23 VAL 83 24.850 14.929 -14.610 560 HG21 VAL 83 HG11 VAL 83 25.860 13.271 -11.431 561 HG22 VAL 83 HG12 VAL 83 24.848 12.713 -12.762 562 HG23 VAL 83 HG13 VAL 83 24.630 14.337 -12.110 563 H LYS 84 H LYS 84 29.153 12.753 -13.409 564 HA LYS 84 HA LYS 84 28.723 9.943 -12.515 565 HB2 LYS 84 HB3 LYS 84 30.645 10.403 -14.038 566 HB3 LYS 84 HB2 LYS 84 31.317 11.486 -12.818 567 HG2 LYS 84 HG2 LYS 84 31.432 9.624 -11.212 568 HG3 LYS 84 HG3 LYS 84 30.728 8.537 -12.409 569 HD2 LYS 84 HD2 LYS 84 32.667 9.062 -13.923 570 HD3 LYS 84 HD3 LYS 84 33.393 9.971 -12.597 571 HE2 LYS 84 HE2 LYS 84 32.738 7.583 -11.381 572 HE3 LYS 84 HE3 LYS 84 33.215 7.062 -12.998 573 HZ1 LYS 84 HZ1 LYS 84 35.189 8.650 -12.615 574 HZ2 LYS 84 HZ2 LYS 84 35.208 7.121 -11.875 575 HZ3 LYS 84 HZ3 LYS 84 34.795 8.500 -10.972 576 H VAL 85 H VAL 85 28.758 9.444 -10.362 577 HA VAL 85 HA VAL 85 28.881 11.663 -8.438 578 HB VAL 85 HB VAL 85 28.582 8.720 -7.803 579 HG11 VAL 85 HG21 VAL 85 28.809 10.929 -6.182 580 HG12 VAL 85 HG22 VAL 85 28.009 9.426 -5.722 581 HG13 VAL 85 HG23 VAL 85 27.060 10.776 -6.345 582 HG21 VAL 85 HG11 VAL 85 26.684 10.634 -9.080 583 HG22 VAL 85 HG12 VAL 85 26.040 9.575 -7.826 584 HG23 VAL 85 HG13 VAL 85 26.804 8.884 -9.257 585 H ILE 86 H ILE 86 30.968 12.327 -8.070 586 HA ILE 86 HA ILE 86 32.913 10.222 -7.213 587 HB ILE 86 HB ILE 86 33.524 12.784 -8.716 588 HG12 ILE 86 HG13 ILE 86 33.718 9.896 -9.626 589 HG13 ILE 86 HG12 ILE 86 32.419 10.999 -10.082 590 HG21 ILE 86 HG21 ILE 86 35.183 10.663 -7.404 591 HG22 ILE 86 HG22 ILE 86 35.458 12.403 -7.492 592 HG23 ILE 86 HG23 ILE 86 35.778 11.387 -8.898 593 HD11 ILE 86 HD11 ILE 86 33.732 12.127 -11.561 594 HD12 ILE 86 HD12 ILE 86 34.739 10.680 -11.504 595 HD13 ILE 86 HD13 ILE 86 35.138 12.072 -10.498 596 H ASP 87 H ASP 87 31.022 11.974 -5.673 597 HA ASP 87 HA ASP 87 33.083 13.187 -3.894 598 HB2 ASP 87 HB2 ASP 87 31.956 14.956 -5.306 599 HB3 ASP 87 HB3 ASP 87 30.434 14.512 -4.534 600 H GLY 88 H GLY 88 32.667 12.866 -1.711 601 HA2 GLY 88 HA2 GLY 88 31.439 12.236 0.220 602 HA3 GLY 88 HA3 GLY 88 30.004 12.058 -0.791 603 HA PRO 89 HA PRO 89 31.769 7.813 0.358 604 HB2 PRO 89 HB2 PRO 89 29.508 6.868 1.499 605 HB3 PRO 89 HB3 PRO 89 30.746 7.742 2.402 606 HG2 PRO 89 HG2 PRO 89 28.158 8.746 1.276 607 HG3 PRO 89 HG3 PRO 89 28.878 9.063 2.858 608 HD2 PRO 89 HD3 PRO 89 29.036 10.846 0.838 609 HD3 PRO 89 HD2 PRO 89 30.332 10.658 2.020 610 H HIS 90 H HIS 90 29.112 9.119 -1.404 611 HA HIS 90 HA HIS 90 28.341 6.524 -2.577 612 HB2 HIS 90 HB2 HIS 90 26.690 8.407 -2.126 613 HB3 HIS 90 HB3 HIS 90 27.465 9.295 -3.437 614 HD1 HIS 90 HD1 HIS 90 26.022 5.785 -2.948 615 HD2 HIS 90 HD2 HIS 90 26.242 8.771 -5.847 616 HE1 HIS 90 HE1 HIS 90 24.718 4.939 -4.947 617 H SER 91 H SER 91 30.554 9.072 -3.122 618 HA SER 91 HA SER 91 30.918 9.323 -5.830 619 HB2 SER 91 HB2 SER 91 33.123 9.921 -5.375 620 HB3 SER 91 HB3 SER 91 32.383 10.096 -3.782 621 HG SER 91 HG SER 91 33.353 8.323 -3.104 622 H GLY 92 H GLY 92 32.140 8.139 -7.437 623 HA2 GLY 92 HA2 GLY 92 33.310 6.162 -8.212 624 HA3 GLY 92 HA3 GLY 92 32.754 5.308 -6.772 625 H ARG 93 H ARG 93 30.155 7.039 -7.876 626 HA ARG 93 HA ARG 93 29.276 4.823 -9.685 627 HB2 ARG 93 HB2 ARG 93 27.691 6.133 -7.456 628 HB3 ARG 93 HB3 ARG 93 27.007 5.027 -8.647 629 HG2 ARG 93 HG2 ARG 93 28.623 3.283 -7.922 630 HG3 ARG 93 HG3 ARG 93 29.240 4.389 -6.694 631 HD2 ARG 93 HD2 ARG 93 26.929 4.525 -5.734 632 HD3 ARG 93 HD3 ARG 93 26.417 3.298 -6.894 633 HE ARG 93 HE ARG 93 27.192 1.826 -5.217 634 HH11 ARG 93 HH11 ARG 93 28.363 4.071 -3.515 635 HH12 ARG 93 HH12 ARG 93 30.031 3.606 -3.453 636 HH21 ARG 93 HH21 ARG 93 29.781 1.376 -6.098 637 HH22 ARG 93 HH22 ARG 93 30.834 2.080 -4.916 638 H GLU 94 H GLU 94 27.678 5.470 -11.273 639 HA GLU 94 HA GLU 94 27.831 8.380 -11.881 640 HB2 GLU 94 HB2 GLU 94 26.965 6.050 -13.622 641 HB3 GLU 94 HB3 GLU 94 27.117 7.725 -14.152 642 HG2 GLU 94 HG2 GLU 94 29.516 7.692 -13.615 643 HG3 GLU 94 HG3 GLU 94 29.375 6.031 -13.040 644 H GLY 95 H GLY 95 25.920 9.584 -12.280 645 HA2 GLY 95 HA2 GLY 95 23.355 8.208 -11.615 646 HA3 GLY 95 HA3 GLY 95 23.774 9.734 -10.835 647 H GLU 96 H GLU 96 21.446 9.646 -12.287 648 HA GLU 96 HA GLU 96 22.151 11.028 -14.846 649 HB2 GLU 96 HB2 GLU 96 20.772 8.932 -15.041 650 HB3 GLU 96 HB3 GLU 96 19.510 9.736 -14.106 651 HG2 GLU 96 HG2 GLU 96 19.424 11.539 -15.813 652 HG3 GLU 96 HG3 GLU 96 20.643 10.683 -16.757 653 H ILE 97 H ILE 97 21.392 13.107 -15.149 654 HA ILE 97 HA ILE 97 20.239 14.444 -12.788 655 HB ILE 97 HB ILE 97 21.159 15.509 -15.474 656 HG12 ILE 97 HG13 ILE 97 22.376 15.645 -12.699 657 HG13 ILE 97 HG12 ILE 97 22.966 14.653 -14.032 658 HG21 ILE 97 HG21 ILE 97 19.490 16.686 -13.449 659 HG22 ILE 97 HG22 ILE 97 20.068 17.407 -14.951 660 HG23 ILE 97 HG23 ILE 97 21.038 17.530 -13.484 661 HD11 ILE 97 HD11 ILE 97 23.923 17.129 -13.515 662 HD12 ILE 97 HD12 ILE 97 22.602 17.547 -14.607 663 HD13 ILE 97 HD13 ILE 97 23.871 16.445 -15.140 664 H ARG 98 H ARG 98 18.051 14.222 -12.594 665 HA ARG 98 HA ARG 98 16.380 14.194 -15.046 666 HB2 ARG 98 HB2 ARG 98 16.004 12.484 -13.257 667 HB3 ARG 98 HB3 ARG 98 15.559 13.787 -12.155 668 HG2 ARG 98 HG2 ARG 98 13.502 12.953 -13.046 669 HG3 ARG 98 HG3 ARG 98 13.811 14.472 -13.886 670 HD2 ARG 98 HD2 ARG 98 14.796 13.219 -15.779 671 HD3 ARG 98 HD3 ARG 98 14.469 11.703 -14.938 672 HE ARG 98 HE ARG 98 12.346 11.876 -15.935 673 HH11 ARG 98 HH11 ARG 98 10.338 12.992 -15.167 674 HH12 ARG 98 HH12 ARG 98 10.281 14.692 -15.489 675 HH21 ARG 98 HH21 ARG 98 13.652 14.927 -16.262 676 HH22 ARG 98 HH22 ARG 98 12.157 15.788 -16.110 677 H HIS 99 H HIS 99 16.169 15.773 -11.831 678 HA HIS 99 HA HIS 99 15.107 18.185 -13.250 679 HB2 HIS 99 HB2 HIS 99 14.479 17.583 -10.372 680 HB3 HIS 99 HB3 HIS 99 13.569 18.559 -11.525 681 HD1 HIS 99 HD1 HIS 99 12.146 17.266 -13.323 682 HD2 HIS 99 HD2 HIS 99 13.896 14.821 -10.436 683 HE1 HIS 99 HE1 HIS 99 11.015 15.009 -13.516 684 H LEU 100 H LEU 100 15.816 20.234 -12.414 685 HA LEU 100 HA LEU 100 18.142 20.051 -10.542 686 HB2 LEU 100 HB2 LEU 100 18.817 20.466 -12.935 687 HB3 LEU 100 HB3 LEU 100 17.892 21.967 -12.879 688 HG LEU 100 HG LEU 100 19.278 22.614 -10.851 689 HD11 LEU 100 HD11 LEU 100 21.587 21.090 -11.400 690 HD12 LEU 100 HD12 LEU 100 20.260 19.931 -11.322 691 HD13 LEU 100 HD13 LEU 100 20.576 21.002 -9.958 692 HD21 LEU 100 HD21 LEU 100 21.177 22.192 -13.114 693 HD22 LEU 100 HD22 LEU 100 20.814 23.664 -12.211 694 HD23 LEU 100 HD23 LEU 100 19.701 23.096 -13.455 695 H PHE 101 H PHE 101 17.956 21.378 -8.795 696 HA PHE 101 HA PHE 101 16.173 23.759 -9.008 697 HB2 PHE 101 HB2 PHE 101 14.920 21.876 -7.944 698 HB3 PHE 101 HB3 PHE 101 16.162 21.796 -6.694 699 HD1 PHE 101 HD1 PHE 101 16.335 23.498 -4.976 700 HD2 PHE 101 HD2 PHE 101 13.439 23.842 -8.130 701 HE1 PHE 101 HE1 PHE 101 15.197 25.318 -3.733 702 HE2 PHE 101 HE2 PHE 101 12.301 25.661 -6.886 703 HZ PHE 101 HZ PHE 101 13.179 26.398 -4.687 704 H ARG 102 H ARG 102 17.486 25.462 -8.556 705 HA ARG 102 HA ARG 102 19.245 26.702 -7.605 706 HB2 ARG 102 HB2 ARG 102 18.552 25.041 -5.164 707 HB3 ARG 102 HB3 ARG 102 19.331 26.623 -5.178 708 HG2 ARG 102 HG2 ARG 102 17.269 27.526 -6.331 709 HG3 ARG 102 HG3 ARG 102 16.499 25.967 -6.034 710 HD2 ARG 102 HD2 ARG 102 15.899 27.532 -4.251 711 HD3 ARG 102 HD3 ARG 102 16.927 26.257 -3.597 712 HE ARG 102 HE ARG 102 18.821 27.899 -3.715 713 HH11 ARG 102 HH11 ARG 102 16.113 28.743 -2.180 714 HH12 ARG 102 HH12 ARG 102 16.219 30.455 -2.425 715 HH21 ARG 102 HH21 ARG 102 18.735 30.224 -4.802 716 HH22 ARG 102 HH22 ARG 102 17.705 31.293 -3.910 717 H SER 103 H SER 103 20.845 25.476 -5.288 718 HA SER 103 HA SER 103 22.916 24.310 -6.959 719 HB2 SER 103 HB2 SER 103 24.249 24.268 -4.992 720 HB3 SER 103 HB3 SER 103 23.243 25.708 -4.827 721 HG SER 103 HG SER 103 21.752 24.205 -3.683 722 H PHE 104 H PHE 104 20.099 23.011 -5.829 723 HA PHE 104 HA PHE 104 21.301 20.323 -5.349 724 HB2 PHE 104 HB3 PHE 104 18.497 21.349 -4.805 725 HB3 PHE 104 HB2 PHE 104 19.077 19.723 -4.436 726 HD1 PHE 104 HD1 PHE 104 20.940 19.413 -2.774 727 HD2 PHE 104 HD2 PHE 104 19.023 23.207 -3.396 728 HE1 PHE 104 HE1 PHE 104 21.860 20.231 -0.620 729 HE2 PHE 104 HE2 PHE 104 19.944 24.025 -1.242 730 HZ PHE 104 HZ PHE 104 21.362 22.537 0.145 731 H ALA 105 H ALA 105 20.172 18.474 -6.414 732 HA ALA 105 HA ALA 105 18.542 19.141 -8.781 733 HB1 ALA 105 HB1 ALA 105 21.047 17.515 -9.196 734 HB2 ALA 105 HB2 ALA 105 21.069 19.271 -9.360 735 HB3 ALA 105 HB3 ALA 105 20.032 18.301 -10.406 736 H PHE 106 H PHE 106 17.193 17.443 -9.333 737 HA PHE 106 HA PHE 106 17.152 15.150 -7.493 738 HB2 PHE 106 HB2 PHE 106 15.345 16.035 -9.753 739 HB3 PHE 106 HB3 PHE 106 15.088 14.542 -8.853 740 HD1 PHE 106 HD1 PHE 106 13.987 14.569 -6.770 741 HD2 PHE 106 HD2 PHE 106 15.512 18.230 -8.420 742 HE1 PHE 106 HE1 PHE 106 12.873 15.847 -4.963 743 HE2 PHE 106 HE2 PHE 106 14.396 19.509 -6.613 744 HZ PHE 106 HZ PHE 106 13.076 18.318 -4.884 745 H LEU 107 H LEU 107 18.128 13.225 -7.949 746 HA LEU 107 HA LEU 107 19.039 12.785 -10.755 747 HB2 LEU 107 HB3 LEU 107 19.847 11.429 -8.163 748 HB3 LEU 107 HB2 LEU 107 20.467 10.993 -9.754 749 HG LEU 107 HG LEU 107 22.046 12.510 -8.707 750 HD11 LEU 107 HD21 LEU 107 21.498 12.759 -11.163 751 HD12 LEU 107 HD22 LEU 107 22.155 14.213 -10.412 752 HD13 LEU 107 HD23 LEU 107 20.424 14.086 -10.722 753 HD21 LEU 107 HD11 LEU 107 20.149 13.512 -7.233 754 HD22 LEU 107 HD12 LEU 107 19.908 14.630 -8.575 755 HD23 LEU 107 HD13 LEU 107 21.460 14.575 -7.741 756 H HIS 108 H HIS 108 18.681 10.671 -11.733 757 HA HIS 108 HA HIS 108 16.475 9.105 -10.473 758 HB2 HIS 108 HB2 HIS 108 15.417 10.523 -12.139 759 HB3 HIS 108 HB3 HIS 108 16.617 10.063 -13.347 760 HD1 HIS 108 HD1 HIS 108 15.600 8.450 -14.944 761 HD2 HIS 108 HD2 HIS 108 14.263 7.785 -11.052 762 HE1 HIS 108 HE1 HIS 108 14.074 6.432 -15.046 763 H CYS 109 H CYS 109 16.657 6.884 -10.770 764 HA CYS 109 HA CYS 109 18.888 5.942 -12.521 765 HB2 CYS 109 HB3 CYS 109 18.780 5.819 -9.685 766 HB3 CYS 109 HB2 CYS 109 18.524 4.178 -10.278 767 HG CYS 109 HG CYS 109 21.081 4.438 -10.249 768 H LYS 110 H LYS 110 17.924 4.754 -14.096 769 HA LYS 110 HA LYS 110 15.292 3.634 -13.872 770 HB2 LYS 110 HB2 LYS 110 17.532 2.946 -15.800 771 HB3 LYS 110 HB3 LYS 110 15.840 2.488 -15.997 772 HG2 LYS 110 HG2 LYS 110 15.208 4.888 -15.999 773 HG3 LYS 110 HG3 LYS 110 16.912 5.324 -15.853 774 HD2 LYS 110 HD2 LYS 110 17.364 4.107 -17.987 775 HD3 LYS 110 HD3 LYS 110 15.635 3.800 -18.145 776 HE2 LYS 110 HE2 LYS 110 15.176 6.195 -18.226 777 HE3 LYS 110 HE3 LYS 110 16.877 6.559 -17.933 778 HZ1 LYS 110 HZ1 LYS 110 15.837 6.437 -20.355 779 HZ2 LYS 110 HZ2 LYS 110 16.279 4.806 -20.180 780 HZ3 LYS 110 HZ3 LYS 110 17.451 6.028 -20.035 781 H LYS 111 H LYS 111 18.490 2.384 -13.145 782 HA LYS 111 HA LYS 111 17.960 -0.390 -13.126 783 HB2 LYS 111 HB3 LYS 111 19.735 1.268 -11.314 784 HB3 LYS 111 HB2 LYS 111 19.746 -0.495 -11.350 785 HG2 LYS 111 HG2 LYS 111 20.208 -0.352 -13.831 786 HG3 LYS 111 HG3 LYS 111 20.411 1.388 -13.631 787 HD2 LYS 111 HD2 LYS 111 22.189 0.948 -11.936 788 HD3 LYS 111 HD3 LYS 111 22.027 -0.779 -12.254 789 HE2 LYS 111 HE2 LYS 111 22.646 -0.427 -14.601 790 HE3 LYS 111 HE3 LYS 111 22.748 1.313 -14.330 791 HZ1 LYS 111 HZ1 LYS 111 24.487 -0.821 -13.255 792 HZ2 LYS 111 HZ2 LYS 111 24.419 0.716 -12.531 793 HZ3 LYS 111 HZ3 LYS 111 24.928 0.556 -14.144 794 H LEU 112 H LEU 112 17.181 2.097 -10.735 795 HA LEU 112 HA LEU 112 15.944 0.018 -9.001 796 HB2 LEU 112 HB3 LEU 112 17.472 1.714 -7.967 797 HB3 LEU 112 HB2 LEU 112 16.341 2.976 -8.457 798 HG LEU 112 HG LEU 112 14.587 2.018 -7.087 799 HD11 LEU 112 HD21 LEU 112 15.310 0.009 -5.596 800 HD12 LEU 112 HD22 LEU 112 16.560 -0.243 -6.816 801 HD13 LEU 112 HD23 LEU 112 14.857 -0.313 -7.271 802 HD21 LEU 112 HD11 LEU 112 16.716 1.716 -5.092 803 HD22 LEU 112 HD12 LEU 112 15.421 2.910 -5.178 804 HD23 LEU 112 HD13 LEU 112 16.908 3.156 -6.093 805 H VAL 113 H VAL 113 13.765 -0.254 -9.043 806 HA VAL 113 HA VAL 113 12.118 1.940 -10.239 807 HB VAL 113 HB VAL 113 11.570 -1.041 -10.360 808 HG11 VAL 113 HG21 VAL 113 9.485 -0.015 -10.564 809 HG12 VAL 113 HG22 VAL 113 10.012 -0.062 -12.246 810 HG13 VAL 113 HG23 VAL 113 10.159 1.430 -11.319 811 HG21 VAL 113 HG11 VAL 113 12.862 -1.136 -12.203 812 HG22 VAL 113 HG12 VAL 113 13.415 0.501 -11.846 813 HG23 VAL 113 HG13 VAL 113 12.026 0.250 -12.904 814 H GLU 114 H GLU 114 12.642 -0.143 -7.553 815 HA GLU 114 HA GLU 114 10.129 -0.454 -6.389 816 HB2 GLU 114 HB2 GLU 114 12.714 0.334 -5.011 817 HB3 GLU 114 HB3 GLU 114 11.287 -0.302 -4.191 818 HG2 GLU 114 HG2 GLU 114 11.437 -2.353 -5.607 819 HG3 GLU 114 HG3 GLU 114 12.924 -1.722 -6.316 820 H ASN 115 H ASN 115 12.269 2.394 -5.996 821 HA ASN 115 HA ASN 115 9.815 3.960 -5.303 822 HB2 ASN 115 HB2 ASN 115 12.621 4.043 -4.231 823 HB3 ASN 115 HB3 ASN 115 11.641 5.509 -4.212 824 HD21 ASN 115 HD21 ASN 115 12.168 4.726 -1.715 825 HD22 ASN 115 HD22 ASN 115 10.842 3.943 -1.004 826 H GLY 116 H GLY 116 10.890 3.472 -7.992 827 HA2 GLY 116 HA3 GLY 116 11.062 4.816 -9.926 828 HA3 GLY 116 HA2 GLY 116 10.967 6.241 -8.892 829 H GLY 117 H GLY 117 13.305 4.339 -7.550 830 HA2 GLY 117 HA2 GLY 117 15.637 4.614 -7.436 831 HA3 GLY 117 HA3 GLY 117 15.567 4.508 -9.196 832 H MET 118 H MET 118 14.082 7.027 -7.190 833 HA MET 118 HA MET 118 15.763 9.012 -8.651 834 HB2 MET 118 HB2 MET 118 13.086 9.252 -7.255 835 HB3 MET 118 HB3 MET 118 13.991 10.644 -7.850 836 HG2 MET 118 HG2 MET 118 13.992 9.640 -10.125 837 HG3 MET 118 HG3 MET 118 13.027 8.296 -9.514 838 HE1 MET 118 HE1 MET 118 12.602 12.550 -9.430 839 HE2 MET 118 HE2 MET 118 11.962 12.244 -11.042 840 HE3 MET 118 HE3 MET 118 13.536 11.595 -10.590 841 H PHE 119 H PHE 119 17.093 10.387 -7.516 842 HA PHE 119 HA PHE 119 16.821 10.615 -4.589 843 HB2 PHE 119 HB2 PHE 119 19.158 9.948 -4.174 844 HB3 PHE 119 HB3 PHE 119 18.256 8.615 -4.894 845 HD1 PHE 119 HD1 PHE 119 18.480 8.154 -7.363 846 HD2 PHE 119 HD2 PHE 119 21.018 10.935 -5.294 847 HE1 PHE 119 HE1 PHE 119 20.103 8.066 -9.236 848 HE2 PHE 119 HE2 PHE 119 22.641 10.846 -7.167 849 HZ PHE 119 HZ PHE 119 22.185 9.412 -9.137 850 H VAL 120 H VAL 120 17.671 12.592 -3.866 851 HA VAL 120 HA VAL 120 18.648 14.371 -6.049 852 HB VAL 120 HB VAL 120 17.873 15.424 -3.370 853 HG11 VAL 120 HG21 VAL 120 17.117 16.413 -6.117 854 HG12 VAL 120 HG22 VAL 120 18.697 16.760 -5.413 855 HG13 VAL 120 HG23 VAL 120 17.232 17.332 -4.616 856 HG21 VAL 120 HG11 VAL 120 16.001 14.176 -5.374 857 HG22 VAL 120 HG12 VAL 120 15.464 15.491 -4.328 858 HG23 VAL 120 HG13 VAL 120 16.028 13.977 -3.621 859 H CYS 121 H CYS 121 20.470 15.734 -5.671 860 HA CYS 121 HA CYS 121 22.060 15.365 -3.228 861 HB2 CYS 121 HB3 CYS 121 22.980 14.368 -5.937 862 HB3 CYS 121 HB2 CYS 121 24.091 14.691 -4.605 863 HG CYS 121 HG CYS 121 21.762 12.631 -4.262 864 H LYS 122 H LYS 122 24.192 16.722 -3.527 865 HA LYS 122 HA LYS 122 23.357 19.328 -4.579 866 HB2 LYS 122 HB2 LYS 122 24.723 18.876 -2.420 867 HB3 LYS 122 HB3 LYS 122 26.102 18.685 -3.504 868 HG2 LYS 122 HG3 LYS 122 25.572 20.938 -4.477 869 HG3 LYS 122 HG2 LYS 122 24.318 21.125 -3.250 870 HD2 LYS 122 HD3 LYS 122 26.020 20.865 -1.477 871 HD3 LYS 122 HD2 LYS 122 27.271 20.690 -2.707 872 HE2 LYS 122 HE2 LYS 122 26.699 22.950 -3.574 873 HE3 LYS 122 HE3 LYS 122 25.510 23.123 -2.284 874 HZ1 LYS 122 HZ1 LYS 122 27.095 23.442 -0.741 875 HZ2 LYS 122 HZ2 LYS 122 28.033 23.924 -2.072 876 HZ3 LYS 122 HZ3 LYS 122 28.180 22.349 -1.451 877 H THR 123 H THR 123 23.782 19.979 -6.624 878 HA THR 123 HA THR 123 24.955 18.499 -8.643 879 HB THR 123 HB THR 123 25.302 20.590 -9.858 880 HG1 THR 123 HG1 THR 123 26.269 21.847 -8.324 881 HG21 THR 123 HG21 THR 123 22.909 19.729 -8.787 882 HG22 THR 123 HG22 THR 123 23.077 20.970 -10.030 883 HG23 THR 123 HG23 THR 123 22.941 21.433 -8.333 884 H ARG 124 H ARG 124 26.584 20.299 -6.119 885 HA ARG 124 HA ARG 124 29.181 20.444 -7.285 886 HB2 ARG 124 HB2 ARG 124 28.468 21.602 -5.171 887 HB3 ARG 124 HB3 ARG 124 28.529 20.042 -4.351 888 HG2 ARG 124 HG2 ARG 124 30.919 19.822 -4.985 889 HG3 ARG 124 HG3 ARG 124 30.848 21.409 -5.753 890 HD2 ARG 124 HD2 ARG 124 30.172 22.393 -3.557 891 HD3 ARG 124 HD3 ARG 124 30.385 20.806 -2.816 892 HE ARG 124 HE ARG 124 32.806 21.333 -4.104 893 HH11 ARG 124 HH11 ARG 124 34.256 21.381 -2.182 894 HH12 ARG 124 HH12 ARG 124 34.061 22.752 -1.143 895 HH21 ARG 124 HH21 ARG 124 31.056 23.737 -2.569 896 HH22 ARG 124 HH22 ARG 124 32.248 24.086 -1.363 897 H HIS 125 H HIS 125 27.551 17.853 -5.493 898 HA HIS 125 HA HIS 125 29.909 16.150 -5.424 899 HB2 HIS 125 HB2 HIS 125 26.982 15.436 -5.063 900 HB3 HIS 125 HB3 HIS 125 28.354 14.415 -4.634 901 HD1 HIS 125 HD1 HIS 125 26.507 15.177 -2.367 902 HD2 HIS 125 HD2 HIS 125 29.756 17.541 -3.480 903 HE1 HIS 125 HE1 HIS 125 27.085 16.597 -0.350 904 H LEU 126 H LEU 126 27.434 16.848 -7.738 905 HA LEU 126 HA LEU 126 27.952 14.369 -9.265 906 HB2 LEU 126 HB2 LEU 126 26.181 16.742 -9.931 907 HB3 LEU 126 HB3 LEU 126 26.212 15.198 -10.783 908 HG LEU 126 HG LEU 126 25.731 15.231 -7.819 909 HD11 LEU 126 HD21 LEU 126 23.466 15.763 -8.022 910 HD12 LEU 126 HD22 LEU 126 23.433 15.397 -9.747 911 HD13 LEU 126 HD23 LEU 126 24.194 16.881 -9.176 912 HD21 LEU 126 HD11 LEU 126 24.586 13.169 -8.289 913 HD22 LEU 126 HD12 LEU 126 26.097 13.130 -9.198 914 HD23 LEU 126 HD13 LEU 126 24.582 13.499 -10.022 915 H VAL 127 H VAL 127 28.993 14.365 -11.296 916 HA VAL 127 HA VAL 127 30.271 16.939 -12.113 917 HB VAL 127 HB VAL 127 31.890 15.473 -10.884 918 HG11 VAL 127 HG11 VAL 127 30.627 13.463 -12.415 919 HG12 VAL 127 HG12 VAL 127 31.989 13.265 -11.313 920 HG13 VAL 127 HG13 VAL 127 32.278 13.571 -13.025 921 HG21 VAL 127 HG21 VAL 127 33.445 16.404 -12.218 922 HG22 VAL 127 HG22 VAL 127 32.179 16.750 -13.397 923 HG23 VAL 127 HG23 VAL 127 33.089 15.242 -13.495 924 H LEU 128 H LEU 128 30.455 17.221 -14.357 925 HA LEU 128 HA LEU 128 28.716 15.507 -15.981 926 HB2 LEU 128 HB2 LEU 128 28.777 17.993 -16.250 927 HB3 LEU 128 HB3 LEU 128 30.438 17.857 -16.828 928 HG LEU 128 HG LEU 128 29.552 16.239 -18.592 929 HD11 LEU 128 HD11 LEU 128 26.872 17.467 -18.337 930 HD12 LEU 128 HD12 LEU 128 27.273 16.287 -17.089 931 HD13 LEU 128 HD13 LEU 128 27.318 15.822 -18.790 932 HD21 LEU 128 HD21 LEU 128 30.072 18.298 -19.514 933 HD22 LEU 128 HD22 LEU 128 28.988 19.173 -18.433 934 HD23 LEU 128 HD23 LEU 128 28.332 18.276 -19.803 935 H ALA 129 H ALA 129 29.420 13.855 -17.260 936 HA ALA 129 HA ALA 129 32.367 13.494 -17.527 937 HB1 ALA 129 HB1 ALA 129 31.024 11.199 -18.472 938 HB2 ALA 129 HB2 ALA 129 30.153 11.701 -17.024 939 HB3 ALA 129 HB3 ALA 129 31.884 11.372 -16.942 940 H GLY 130 H GLY 130 33.296 13.245 -19.578 941 HA2 GLY 130 HA2 GLY 130 31.453 13.615 -21.904 942 HA3 GLY 130 HA3 GLY 130 32.965 14.515 -21.776 Start of MODEL 10 1 H GLN 16 H GLN 16 -3.465 16.845 -14.956 2 HA GLN 16 HA GLN 16 -3.292 18.784 -13.501 3 HB2 GLN 16 HB2 GLN 16 -4.290 16.816 -11.419 4 HB3 GLN 16 HB3 GLN 16 -3.833 18.484 -11.074 5 HG2 GLN 16 HG2 GLN 16 -5.555 19.304 -12.608 6 HG3 GLN 16 HG3 GLN 16 -5.980 17.650 -13.049 7 HE21 GLN 16 HE21 GLN 16 -7.932 19.388 -11.895 8 HE22 GLN 16 HE22 GLN 16 -8.321 18.807 -10.348 9 H HIS 17 H HIS 17 -2.217 15.515 -12.698 10 HA HIS 17 HA HIS 17 0.385 16.698 -11.809 11 HB2 HIS 17 HB3 HIS 17 -0.481 13.909 -11.090 12 HB3 HIS 17 HB2 HIS 17 0.644 14.974 -10.247 13 HD1 HIS 17 HD1 HIS 17 -3.079 14.869 -11.095 14 HD2 HIS 17 HD2 HIS 17 -0.524 16.312 -8.135 15 HE1 HIS 17 HE1 HIS 17 -4.559 15.849 -9.289 16 H GLU 18 H GLU 18 2.181 14.879 -12.095 17 HA GLU 18 HA GLU 18 1.848 13.117 -14.384 18 HB2 GLU 18 HB3 GLU 18 2.032 15.351 -15.497 19 HB3 GLU 18 HB2 GLU 18 3.610 15.561 -14.735 20 HG2 GLU 18 HG2 GLU 18 4.392 13.476 -15.846 21 HG3 GLU 18 HG3 GLU 18 2.830 13.342 -16.652 22 H TRP 19 H TRP 19 3.687 11.732 -14.622 23 HA TRP 19 HA TRP 19 5.277 11.434 -12.221 24 HB2 TRP 19 HB2 TRP 19 4.516 9.592 -13.856 25 HB3 TRP 19 HB3 TRP 19 5.860 10.110 -14.872 26 HD1 TRP 19 HD1 TRP 19 5.049 8.051 -11.876 27 HE1 TRP 19 HE1 TRP 19 7.213 7.119 -10.828 28 HE3 TRP 19 HE3 TRP 19 8.517 10.798 -14.425 29 HZ2 TRP 19 HZ2 TRP 19 10.041 7.490 -11.044 30 HZ3 TRP 19 HZ3 TRP 19 10.936 10.489 -13.985 31 HH2 TRP 19 HH2 TRP 19 11.702 8.840 -12.299 32 H GLY 20 H GLY 20 7.309 12.213 -11.811 33 HA2 GLY 20 HA3 GLY 20 9.526 12.935 -12.425 34 HA3 GLY 20 HA2 GLY 20 8.951 13.214 -14.068 35 H GLU 21 H GLU 21 6.641 14.445 -12.027 36 HA GLU 21 HA GLU 21 7.377 17.186 -12.655 37 HB2 GLU 21 HB3 GLU 21 5.010 16.406 -12.500 38 HB3 GLU 21 HB2 GLU 21 5.232 16.170 -10.766 39 HG2 GLU 21 HG3 GLU 21 5.845 18.580 -10.555 40 HG3 GLU 21 HG2 GLU 21 5.501 18.790 -12.272 41 H LEU 22 H LEU 22 8.386 18.664 -11.338 42 HA LEU 22 HA LEU 22 9.489 17.639 -8.784 43 HB2 LEU 22 HB2 LEU 22 10.963 18.774 -10.483 44 HB3 LEU 22 HB3 LEU 22 10.064 20.264 -10.191 45 HG LEU 22 HG LEU 22 10.642 19.993 -7.731 46 HD11 LEU 22 HD11 LEU 22 12.872 18.199 -8.615 47 HD12 LEU 22 HD12 LEU 22 11.296 17.481 -8.287 48 HD13 LEU 22 HD13 LEU 22 12.141 18.369 -7.019 49 HD21 LEU 22 HD21 LEU 22 12.452 21.338 -8.069 50 HD22 LEU 22 HD22 LEU 22 12.011 21.196 -9.771 51 HD23 LEU 22 HD23 LEU 22 13.260 20.152 -9.094 52 H VAL 23 H VAL 23 9.041 18.625 -6.787 53 HA VAL 23 HA VAL 23 7.021 20.825 -6.820 54 HB VAL 23 HB VAL 23 5.899 19.718 -4.885 55 HG11 VAL 23 HG21 VAL 23 5.893 17.601 -6.967 56 HG12 VAL 23 HG22 VAL 23 5.546 19.237 -7.529 57 HG13 VAL 23 HG23 VAL 23 4.545 18.504 -6.275 58 HG21 VAL 23 HG11 VAL 23 6.936 17.064 -5.358 59 HG22 VAL 23 HG12 VAL 23 6.859 17.966 -3.845 60 HG23 VAL 23 HG13 VAL 23 8.251 18.152 -4.911 61 H GLN 24 H GLN 24 7.196 22.288 -5.062 62 HA GLN 24 HA GLN 24 9.766 22.061 -3.557 63 HB2 GLN 24 HB2 GLN 24 9.518 24.072 -4.981 64 HB3 GLN 24 HB3 GLN 24 8.045 24.500 -4.110 65 HG2 GLN 24 HG3 GLN 24 9.274 24.776 -2.043 66 HG3 GLN 24 HG2 GLN 24 10.745 24.139 -2.779 67 HE21 GLN 24 HE21 GLN 24 11.356 26.504 -1.854 68 HE22 GLN 24 HE22 GLN 24 11.241 27.758 -2.993 69 H LEU 25 H LEU 25 9.355 21.151 -1.585 70 HA LEU 25 HA LEU 25 6.789 21.450 -0.247 71 HB2 LEU 25 HB3 LEU 25 9.451 20.314 0.652 72 HB3 LEU 25 HB2 LEU 25 7.999 20.298 1.653 73 HG LEU 25 HG LEU 25 6.838 19.154 -0.332 74 HD11 LEU 25 HD21 LEU 25 9.708 19.180 -1.214 75 HD12 LEU 25 HD22 LEU 25 8.247 19.445 -2.167 76 HD13 LEU 25 HD23 LEU 25 8.682 17.815 -1.655 77 HD21 LEU 25 HD11 LEU 25 9.066 17.845 1.241 78 HD22 LEU 25 HD12 LEU 25 7.949 16.925 0.232 79 HD23 LEU 25 HD13 LEU 25 7.341 17.847 1.607 80 H ASP 26 H ASP 26 9.973 22.971 0.015 81 HA ASP 26 HA ASP 26 8.730 25.081 1.695 82 HB2 ASP 26 HB2 ASP 26 10.591 23.090 2.665 83 HB3 ASP 26 HB3 ASP 26 11.314 24.696 2.767 84 HA PRO 27 HA PRO 27 11.327 27.895 -0.543 85 HB2 PRO 27 HB2 PRO 27 12.593 29.392 1.319 86 HB3 PRO 27 HB3 PRO 27 10.872 29.554 0.968 87 HG2 PRO 27 HG3 PRO 27 12.222 28.075 3.194 88 HG3 PRO 27 HG2 PRO 27 10.791 29.108 3.254 89 HD2 PRO 27 HD3 PRO 27 10.614 26.412 3.225 90 HD3 PRO 27 HD2 PRO 27 9.395 27.438 2.467 91 H GLN 28 H GLN 28 12.749 25.532 1.395 92 HA GLN 28 HA GLN 28 15.339 25.917 -0.010 93 HB2 GLN 28 HB2 GLN 28 15.023 25.478 2.974 94 HB3 GLN 28 HB3 GLN 28 16.556 25.378 2.107 95 HG2 GLN 28 HG2 GLN 28 16.276 27.719 1.356 96 HG3 GLN 28 HG3 GLN 28 14.756 27.817 2.245 97 HE21 GLN 28 HE21 GLN 28 16.966 29.541 2.867 98 HE22 GLN 28 HE22 GLN 28 17.558 29.127 4.404 99 H THR 29 H THR 29 12.810 23.976 0.380 100 HA THR 29 HA THR 29 14.490 21.512 0.195 101 HB THR 29 HB THR 29 11.791 21.750 1.564 102 HG1 THR 29 HG1 THR 29 13.109 22.419 3.077 103 HG21 THR 29 HG21 THR 29 13.370 19.499 0.553 104 HG22 THR 29 HG22 THR 29 11.683 19.548 1.065 105 HG23 THR 29 HG23 THR 29 12.962 19.343 2.262 106 H VAL 30 H VAL 30 14.074 20.353 -1.641 107 HA VAL 30 HA VAL 30 11.540 20.981 -3.103 108 HB VAL 30 HB VAL 30 12.870 20.474 -5.194 109 HG11 VAL 30 HG21 VAL 30 13.623 22.780 -3.389 110 HG12 VAL 30 HG22 VAL 30 12.447 22.773 -4.703 111 HG13 VAL 30 HG23 VAL 30 14.169 22.671 -5.062 112 HG21 VAL 30 HG11 VAL 30 15.368 21.013 -3.660 113 HG22 VAL 30 HG12 VAL 30 15.134 20.059 -5.126 114 HG23 VAL 30 HG13 VAL 30 14.701 19.384 -3.555 115 H GLY 31 H GLY 31 10.695 19.189 -4.406 116 HA2 GLY 31 HA2 GLY 31 11.792 16.507 -3.789 117 HA3 GLY 31 HA3 GLY 31 10.134 16.834 -3.288 118 H VAL 32 H VAL 32 10.433 14.813 -5.066 119 HA VAL 32 HA VAL 32 9.337 16.013 -7.567 120 HB VAL 32 HB VAL 32 11.012 13.565 -7.856 121 HG11 VAL 32 HG11 VAL 32 11.095 14.242 -10.041 122 HG12 VAL 32 HG12 VAL 32 11.261 15.944 -9.612 123 HG13 VAL 32 HG13 VAL 32 9.673 15.177 -9.578 124 HG21 VAL 32 HG21 VAL 32 12.046 16.237 -7.012 125 HG22 VAL 32 HG22 VAL 32 12.939 15.373 -8.262 126 HG23 VAL 32 HG23 VAL 32 12.691 14.630 -6.682 127 H ILE 33 H ILE 33 7.617 14.843 -8.430 128 HA ILE 33 HA ILE 33 6.401 12.848 -6.685 129 HB ILE 33 HB ILE 33 5.593 13.828 -9.440 130 HG12 ILE 33 HG12 ILE 33 4.565 14.572 -6.684 131 HG13 ILE 33 HG13 ILE 33 5.636 15.575 -7.664 132 HG21 ILE 33 HG21 ILE 33 4.526 11.776 -7.613 133 HG22 ILE 33 HG22 ILE 33 4.243 12.001 -9.339 134 HG23 ILE 33 HG23 ILE 33 3.327 12.947 -8.163 135 HD11 ILE 33 HD11 ILE 33 3.456 16.405 -8.116 136 HD12 ILE 33 HD12 ILE 33 2.777 14.782 -8.234 137 HD13 ILE 33 HD13 ILE 33 3.842 15.386 -9.503 138 H VAL 34 H VAL 34 6.498 10.655 -6.907 139 HA VAL 34 HA VAL 34 7.741 9.580 -9.408 140 HB VAL 34 HB VAL 34 8.432 7.666 -7.697 141 HG11 VAL 34 HG21 VAL 34 10.391 9.566 -7.139 142 HG12 VAL 34 HG22 VAL 34 9.682 10.128 -8.653 143 HG13 VAL 34 HG23 VAL 34 10.354 8.502 -8.544 144 HG21 VAL 34 HG11 VAL 34 7.335 8.585 -5.743 145 HG22 VAL 34 HG12 VAL 34 8.120 10.147 -5.982 146 HG23 VAL 34 HG13 VAL 34 9.076 8.742 -5.512 147 H ARG 35 H ARG 35 5.213 9.328 -7.027 148 HA ARG 35 HA ARG 35 3.995 7.151 -8.662 149 HB2 ARG 35 HB2 ARG 35 5.023 6.281 -6.504 150 HB3 ARG 35 HB3 ARG 35 3.838 7.262 -5.640 151 HG2 ARG 35 HG2 ARG 35 2.007 6.080 -6.782 152 HG3 ARG 35 HG3 ARG 35 3.179 5.119 -7.685 153 HD2 ARG 35 HD2 ARG 35 4.046 4.179 -5.581 154 HD3 ARG 35 HD3 ARG 35 2.903 5.159 -4.662 155 HE ARG 35 HE ARG 35 1.133 3.718 -5.389 156 HH11 ARG 35 HH11 ARG 35 2.416 1.353 -4.797 157 HH12 ARG 35 HH12 ARG 35 2.700 0.543 -6.301 158 HH21 ARG 35 HH21 ARG 35 2.256 3.394 -8.224 159 HH22 ARG 35 HH22 ARG 35 2.608 1.698 -8.242 160 H LEU 36 H LEU 36 2.007 7.780 -9.342 161 HA LEU 36 HA LEU 36 0.688 10.040 -7.922 162 HB2 LEU 36 HB2 LEU 36 0.123 8.813 -10.639 163 HB3 LEU 36 HB3 LEU 36 -0.701 10.218 -9.964 164 HG LEU 36 HG LEU 36 1.016 11.067 -11.405 165 HD11 LEU 36 HD21 LEU 36 0.810 12.198 -9.211 166 HD12 LEU 36 HD22 LEU 36 2.458 12.279 -9.830 167 HD13 LEU 36 HD23 LEU 36 2.051 11.131 -8.555 168 HD21 LEU 36 HD11 LEU 36 3.134 10.178 -11.626 169 HD22 LEU 36 HD12 LEU 36 2.282 8.730 -11.088 170 HD23 LEU 36 HD13 LEU 36 3.216 9.683 -9.935 171 H GLU 37 H GLU 37 -0.837 9.464 -6.459 172 HA GLU 37 HA GLU 37 -2.438 6.995 -7.013 173 HB2 GLU 37 HB2 GLU 37 -0.818 7.084 -4.961 174 HB3 GLU 37 HB3 GLU 37 -2.052 8.125 -4.249 175 HG2 GLU 37 HG2 GLU 37 -3.752 6.351 -4.715 176 HG3 GLU 37 HG3 GLU 37 -2.455 5.305 -5.294 177 H ARG 38 H ARG 38 -4.684 7.099 -6.148 178 HA ARG 38 HA ARG 38 -5.897 9.681 -6.766 179 HB2 ARG 38 HB2 ARG 38 -7.002 7.568 -7.404 180 HB3 ARG 38 HB3 ARG 38 -7.136 7.124 -5.703 181 HG2 ARG 38 HG2 ARG 38 -9.253 8.067 -6.320 182 HG3 ARG 38 HG3 ARG 38 -8.423 9.295 -5.363 183 HD2 ARG 38 HD2 ARG 38 -7.624 10.341 -7.493 184 HD3 ARG 38 HD3 ARG 38 -8.593 9.171 -8.389 185 HE ARG 38 HE ARG 38 -9.697 11.324 -6.648 186 HH11 ARG 38 HH11 ARG 38 -10.218 11.541 -9.516 187 HH12 ARG 38 HH12 ARG 38 -11.751 10.758 -9.710 188 HH21 ARG 38 HH21 ARG 38 -11.602 9.129 -6.652 189 HH22 ARG 38 HH22 ARG 38 -12.534 9.392 -8.088 190 H GLU 39 H GLU 39 -5.091 7.859 -3.873 191 HA GLU 39 HA GLU 39 -6.669 9.546 -2.091 192 HB2 GLU 39 HB2 GLU 39 -4.415 7.586 -1.558 193 HB3 GLU 39 HB3 GLU 39 -5.352 8.389 -0.297 194 HG2 GLU 39 HG2 GLU 39 -7.425 7.396 -1.228 195 HG3 GLU 39 HG3 GLU 39 -6.466 6.565 -2.452 196 H THR 40 H THR 40 -3.295 9.405 -3.167 197 HA THR 40 HA THR 40 -2.916 12.219 -2.575 198 HB THR 40 HB THR 40 -0.823 11.289 -1.042 199 HG1 THR 40 HG1 THR 40 -1.711 9.228 -0.935 200 HG21 THR 40 HG21 THR 40 -2.903 13.043 -0.778 201 HG22 THR 40 HG22 THR 40 -1.742 12.682 0.501 202 HG23 THR 40 HG23 THR 40 -3.298 11.852 0.461 203 H PHE 41 H PHE 41 -0.391 12.683 -2.828 204 HA PHE 41 HA PHE 41 0.560 10.946 -5.073 205 HB2 PHE 41 HB2 PHE 41 1.047 13.905 -4.602 206 HB3 PHE 41 HB3 PHE 41 1.706 12.964 -5.940 207 HD1 PHE 41 HD1 PHE 41 0.084 11.818 -7.545 208 HD2 PHE 41 HD2 PHE 41 -1.149 14.788 -4.694 209 HE1 PHE 41 HE1 PHE 41 -2.010 12.180 -8.825 210 HE2 PHE 41 HE2 PHE 41 -3.242 15.148 -5.974 211 HZ PHE 41 HZ PHE 41 -3.673 13.843 -8.039 212 H GLN 42 H GLN 42 2.657 10.176 -4.951 213 HA GLN 42 HA GLN 42 4.093 10.732 -2.403 214 HB2 GLN 42 HB2 GLN 42 4.597 8.539 -4.433 215 HB3 GLN 42 HB3 GLN 42 5.287 8.657 -2.814 216 HG2 GLN 42 HG2 GLN 42 2.851 8.664 -1.972 217 HG3 GLN 42 HG3 GLN 42 2.420 8.113 -3.592 218 HE21 GLN 42 HE21 GLN 42 4.734 6.453 -4.076 219 HE22 GLN 42 HE22 GLN 42 4.733 5.166 -2.972 220 H VAL 43 H VAL 43 6.035 11.792 -2.425 221 HA VAL 43 HA VAL 43 7.442 12.077 -5.030 222 HB VAL 43 HB VAL 43 7.557 14.407 -4.928 223 HG11 VAL 43 HG21 VAL 43 4.930 13.899 -3.509 224 HG12 VAL 43 HG22 VAL 43 5.192 13.545 -5.217 225 HG13 VAL 43 HG23 VAL 43 5.307 15.206 -4.634 226 HG21 VAL 43 HG11 VAL 43 8.431 14.610 -2.665 227 HG22 VAL 43 HG12 VAL 43 6.863 14.175 -1.984 228 HG23 VAL 43 HG13 VAL 43 7.057 15.702 -2.846 229 H LEU 44 H LEU 44 9.740 12.613 -4.756 230 HA LEU 44 HA LEU 44 10.795 11.453 -2.245 231 HB2 LEU 44 HB2 LEU 44 11.650 10.670 -4.462 232 HB3 LEU 44 HB3 LEU 44 12.283 12.291 -4.751 233 HG LEU 44 HG LEU 44 13.288 11.761 -2.258 234 HD11 LEU 44 HD21 LEU 44 14.013 9.230 -3.573 235 HD12 LEU 44 HD22 LEU 44 12.330 9.301 -3.052 236 HD13 LEU 44 HD23 LEU 44 13.626 9.547 -1.881 237 HD21 LEU 44 HD11 LEU 44 14.319 11.508 -5.054 238 HD22 LEU 44 HD12 LEU 44 15.350 10.943 -3.740 239 HD23 LEU 44 HD13 LEU 44 14.807 12.621 -3.776 240 H ASN 45 H ASN 45 11.292 12.829 -0.619 241 HA ASN 45 HA ASN 45 11.470 15.685 -0.989 242 HB2 ASN 45 HB2 ASN 45 12.333 13.970 1.362 243 HB3 ASN 45 HB3 ASN 45 12.128 15.722 1.391 244 HD21 ASN 45 HD21 ASN 45 9.724 15.814 -0.259 245 HD22 ASN 45 HD22 ASN 45 8.464 15.173 0.681 246 H MET 46 H MET 46 13.302 16.999 -1.035 247 HA MET 46 HA MET 46 15.599 16.248 -2.367 248 HB2 MET 46 HB2 MET 46 15.241 18.571 -1.957 249 HB3 MET 46 HB3 MET 46 15.225 18.335 -0.210 250 HG2 MET 46 HG2 MET 46 17.613 17.635 -0.312 251 HG3 MET 46 HG3 MET 46 17.616 17.968 -2.044 252 HE1 MET 46 HE1 MET 46 16.504 19.236 1.284 253 HE2 MET 46 HE2 MET 46 17.082 20.894 1.420 254 HE3 MET 46 HE3 MET 46 18.230 19.560 1.489 255 H TYR 47 H TYR 47 14.841 15.606 0.988 256 HA TYR 47 HA TYR 47 17.513 15.044 1.876 257 HB2 TYR 47 HB2 TYR 47 14.825 14.022 2.835 258 HB3 TYR 47 HB3 TYR 47 16.346 13.704 3.665 259 HD1 TYR 47 HD1 TYR 47 14.606 14.967 5.392 260 HD2 TYR 47 HD2 TYR 47 16.816 16.810 2.201 261 HE1 TYR 47 HE1 TYR 47 14.440 17.158 6.539 262 HE2 TYR 47 HE2 TYR 47 16.649 18.999 3.349 263 HH TYR 47 HH TYR 47 16.098 20.026 5.276 264 H GLY 48 H GLY 48 15.611 13.481 -0.415 265 HA2 GLY 48 HA2 GLY 48 16.287 11.577 -1.685 266 HA3 GLY 48 HA3 GLY 48 17.441 11.172 -0.413 267 H LYS 49 H LYS 49 14.009 11.903 0.059 268 HA LYS 49 HA LYS 49 13.546 9.023 0.704 269 HB2 LYS 49 HB2 LYS 49 12.794 11.387 2.448 270 HB3 LYS 49 HB3 LYS 49 12.283 9.724 2.733 271 HG2 LYS 49 HG2 LYS 49 14.683 9.048 2.849 272 HG3 LYS 49 HG3 LYS 49 15.141 10.743 2.677 273 HD2 LYS 49 HD2 LYS 49 13.813 11.265 4.729 274 HD3 LYS 49 HD3 LYS 49 13.491 9.541 4.922 275 HE2 LYS 49 HE2 LYS 49 16.329 10.466 4.618 276 HE3 LYS 49 HE3 LYS 49 15.530 10.653 6.179 277 HZ1 LYS 49 HZ1 LYS 49 15.433 8.082 4.740 278 HZ2 LYS 49 HZ2 LYS 49 15.238 8.385 6.400 279 HZ3 LYS 49 HZ3 LYS 49 16.778 8.484 5.691 280 H VAL 50 H VAL 50 11.428 8.312 0.293 281 HA VAL 50 HA VAL 50 9.757 10.238 -1.253 282 HB VAL 50 HB VAL 50 10.409 8.170 -2.435 283 HG11 VAL 50 HG21 VAL 50 8.721 6.350 -0.924 284 HG12 VAL 50 HG22 VAL 50 10.009 7.003 0.088 285 HG13 VAL 50 HG23 VAL 50 10.405 6.160 -1.410 286 HG21 VAL 50 HG11 VAL 50 8.257 9.130 -3.019 287 HG22 VAL 50 HG12 VAL 50 7.488 8.349 -1.638 288 HG23 VAL 50 HG13 VAL 50 8.086 7.374 -2.981 289 H VAL 51 H VAL 51 7.930 10.988 -0.291 290 HA VAL 51 HA VAL 51 6.618 9.278 1.770 291 HB VAL 51 HB VAL 51 7.100 12.259 2.057 292 HG11 VAL 51 HG11 VAL 51 6.449 11.222 4.521 293 HG12 VAL 51 HG12 VAL 51 5.432 10.267 3.443 294 HG13 VAL 51 HG13 VAL 51 5.311 12.026 3.440 295 HG21 VAL 51 HG21 VAL 51 9.155 11.638 2.766 296 HG22 VAL 51 HG22 VAL 51 8.725 9.928 2.738 297 HG23 VAL 51 HG23 VAL 51 8.344 10.910 4.152 298 H THR 52 H THR 52 4.354 9.451 1.786 299 HA THR 52 HA THR 52 3.130 10.429 -0.643 300 HB THR 52 HB THR 52 1.746 9.639 1.935 301 HG1 THR 52 HG1 THR 52 2.365 7.698 1.509 302 HG21 THR 52 HG21 THR 52 0.166 10.613 0.469 303 HG22 THR 52 HG22 THR 52 0.016 8.881 0.179 304 HG23 THR 52 HG23 THR 52 0.915 9.889 -0.954 305 H VAL 53 H VAL 53 1.941 12.302 -0.973 306 HA VAL 53 HA VAL 53 1.584 14.145 1.338 307 HB VAL 53 HB VAL 53 2.434 16.032 0.031 308 HG11 VAL 53 HG11 VAL 53 4.166 13.612 0.416 309 HG12 VAL 53 HG12 VAL 53 4.195 15.152 1.276 310 HG13 VAL 53 HG13 VAL 53 4.850 15.041 -0.358 311 HG21 VAL 53 HG21 VAL 53 2.478 15.900 -2.214 312 HG22 VAL 53 HG22 VAL 53 2.066 14.188 -2.133 313 HG23 VAL 53 HG23 VAL 53 3.756 14.691 -2.107 314 H ARG 54 H ARG 54 -0.004 15.906 0.787 315 HA ARG 54 HA ARG 54 -2.112 14.791 -0.985 316 HB2 ARG 54 HB2 ARG 54 -2.203 17.019 1.073 317 HB3 ARG 54 HB3 ARG 54 -3.588 16.443 0.145 318 HG2 ARG 54 HG2 ARG 54 -3.244 14.168 1.088 319 HG3 ARG 54 HG3 ARG 54 -1.911 14.792 2.061 320 HD2 ARG 54 HD2 ARG 54 -3.563 16.474 3.023 321 HD3 ARG 54 HD3 ARG 54 -4.839 15.546 2.234 322 HE ARG 54 HE ARG 54 -3.204 14.635 4.528 323 HH11 ARG 54 HH11 ARG 54 -5.111 13.671 1.852 324 HH12 ARG 54 HH12 ARG 54 -5.941 12.417 2.712 325 HH21 ARG 54 HH21 ARG 54 -4.458 13.160 5.757 326 HH22 ARG 54 HH22 ARG 54 -5.571 12.128 4.923 327 H HIS 55 H HIS 55 -3.170 16.181 -2.546 328 HA HIS 55 HA HIS 55 -1.545 17.603 -4.283 329 HB2 HIS 55 HB3 HIS 55 -3.935 16.975 -4.709 330 HB3 HIS 55 HB2 HIS 55 -4.431 18.319 -3.680 331 HD1 HIS 55 HD1 HIS 55 -2.136 17.820 -6.700 332 HD2 HIS 55 HD2 HIS 55 -4.791 20.629 -5.138 333 HE1 HIS 55 HE1 HIS 55 -2.246 19.713 -8.380 334 H GLN 56 H GLN 56 -3.133 18.819 -1.363 335 HA GLN 56 HA GLN 56 -2.396 21.586 -1.845 336 HB2 GLN 56 HB2 GLN 56 -3.262 20.129 0.669 337 HB3 GLN 56 HB3 GLN 56 -3.022 21.874 0.571 338 HG2 GLN 56 HG2 GLN 56 -4.715 22.010 -1.218 339 HG3 GLN 56 HG3 GLN 56 -4.950 20.264 -1.132 340 HE21 GLN 56 HE21 GLN 56 -7.162 21.920 -0.639 341 HE22 GLN 56 HE22 GLN 56 -7.550 21.898 1.013 342 H ALA 57 H ALA 57 -0.798 18.809 -0.497 343 HA ALA 57 HA ALA 57 1.272 20.456 0.818 344 HB1 ALA 57 HB1 ALA 57 1.424 18.610 2.096 345 HB2 ALA 57 HB2 ALA 57 2.087 17.750 0.707 346 HB3 ALA 57 HB3 ALA 57 0.351 17.729 1.010 347 H VAL 58 H VAL 58 0.625 19.348 -2.288 348 HA VAL 58 HA VAL 58 3.533 19.314 -2.985 349 HB VAL 58 HB VAL 58 2.155 18.461 -5.246 350 HG11 VAL 58 HG11 VAL 58 3.653 17.118 -3.019 351 HG12 VAL 58 HG12 VAL 58 4.128 17.346 -4.703 352 HG13 VAL 58 HG13 VAL 58 2.919 16.132 -4.284 353 HG21 VAL 58 HG21 VAL 58 0.106 18.310 -3.753 354 HG22 VAL 58 HG22 VAL 58 0.954 17.055 -2.848 355 HG23 VAL 58 HG23 VAL 58 0.562 16.803 -4.548 356 H THR 59 H THR 59 4.160 20.508 -4.919 357 HA THR 59 HA THR 59 2.281 22.764 -5.501 358 HB THR 59 HB THR 59 4.198 24.178 -5.837 359 HG1 THR 59 HG1 THR 59 5.516 21.711 -5.884 360 HG21 THR 59 HG21 THR 59 5.415 23.884 -3.639 361 HG22 THR 59 HG22 THR 59 4.505 22.390 -3.415 362 HG23 THR 59 HG23 THR 59 3.657 23.934 -3.506 363 H ARG 60 H ARG 60 2.610 23.705 -7.744 364 HA ARG 60 HA ARG 60 3.279 21.527 -9.687 365 HB2 ARG 60 HB2 ARG 60 1.103 23.635 -9.832 366 HB3 ARG 60 HB3 ARG 60 1.540 22.571 -11.169 367 HG2 ARG 60 HG2 ARG 60 1.087 20.609 -9.651 368 HG3 ARG 60 HG3 ARG 60 0.462 21.748 -8.458 369 HD2 ARG 60 HD2 ARG 60 -0.595 21.331 -11.271 370 HD3 ARG 60 HD3 ARG 60 -1.394 20.853 -9.773 371 HE ARG 60 HE ARG 60 -0.815 23.688 -9.789 372 HH11 ARG 60 HH11 ARG 60 -2.780 24.841 -9.465 373 HH12 ARG 60 HH12 ARG 60 -4.190 24.317 -10.322 374 HH21 ARG 60 HH21 ARG 60 -2.695 21.445 -11.563 375 HH22 ARG 60 HH22 ARG 60 -4.143 22.395 -11.510 376 H LYS 61 H LYS 61 4.828 22.073 -11.158 377 HA LYS 61 HA LYS 61 5.290 24.964 -11.718 378 HB2 LYS 61 HB2 LYS 61 7.466 22.951 -11.072 379 HB3 LYS 61 HB3 LYS 61 7.721 24.634 -11.532 380 HG2 LYS 61 HG2 LYS 61 6.327 25.302 -9.534 381 HG3 LYS 61 HG3 LYS 61 6.335 23.609 -9.039 382 HD2 LYS 61 HD2 LYS 61 8.812 25.302 -9.494 383 HD3 LYS 61 HD3 LYS 61 8.130 24.911 -7.916 384 HE2 LYS 61 HE2 LYS 61 9.485 23.094 -7.976 385 HE3 LYS 61 HE3 LYS 61 8.318 22.430 -9.119 386 HZ1 LYS 61 HZ1 LYS 61 9.649 22.867 -10.882 387 HZ2 LYS 61 HZ2 LYS 61 10.863 22.685 -9.708 388 HZ3 LYS 61 HZ3 LYS 61 10.354 24.238 -10.173 389 H LYS 62 H LYS 62 6.257 25.349 -13.799 390 HA LYS 62 HA LYS 62 5.623 23.254 -15.756 391 HB2 LYS 62 HB2 LYS 62 6.742 26.054 -16.088 392 HB3 LYS 62 HB3 LYS 62 6.283 24.995 -17.420 393 HG2 LYS 62 HG2 LYS 62 3.973 24.873 -16.454 394 HG3 LYS 62 HG3 LYS 62 4.459 26.061 -15.245 395 HD2 LYS 62 HD2 LYS 62 5.058 27.635 -17.089 396 HD3 LYS 62 HD3 LYS 62 4.447 26.457 -18.252 397 HE2 LYS 62 HE2 LYS 62 2.739 27.464 -15.972 398 HE3 LYS 62 HE3 LYS 62 2.827 28.325 -17.509 399 HZ1 LYS 62 HZ1 LYS 62 1.529 25.829 -16.868 400 HZ2 LYS 62 HZ2 LYS 62 2.440 25.787 -18.302 401 HZ3 LYS 62 HZ3 LYS 62 1.202 26.935 -18.112 402 H ASP 63 H ASP 63 7.138 22.132 -17.004 403 HA ASP 63 HA ASP 63 9.895 22.129 -15.934 404 HB2 ASP 63 HB3 ASP 63 8.470 20.325 -17.910 405 HB3 ASP 63 HB2 ASP 63 10.152 20.118 -17.422 406 H ASN 64 H ASN 64 8.381 23.981 -18.119 407 HA ASN 64 HA ASN 64 10.374 23.793 -20.286 408 HB2 ASN 64 HB2 ASN 64 9.030 25.423 -21.431 409 HB3 ASN 64 HB3 ASN 64 7.912 24.281 -20.683 410 HD21 ASN 64 HD21 ASN 64 7.073 26.940 -21.309 411 HD22 ASN 64 HD22 ASN 64 6.764 27.748 -19.849 412 H ARG 65 H ARG 65 10.640 24.915 -17.303 413 HA ARG 65 HA ARG 65 11.402 27.653 -17.541 414 HB2 ARG 65 HB2 ARG 65 12.425 25.518 -15.642 415 HB3 ARG 65 HB3 ARG 65 12.687 27.251 -15.448 416 HG2 ARG 65 HG2 ARG 65 10.219 27.589 -15.404 417 HG3 ARG 65 HG3 ARG 65 10.000 25.842 -15.508 418 HD2 ARG 65 HD2 ARG 65 9.849 26.476 -13.175 419 HD3 ARG 65 HD3 ARG 65 11.373 25.619 -13.409 420 HE ARG 65 HE ARG 65 12.230 28.147 -13.709 421 HH11 ARG 65 HH11 ARG 65 9.787 29.291 -12.491 422 HH12 ARG 65 HH12 ARG 65 10.184 29.338 -10.805 423 HH21 ARG 65 HH21 ARG 65 12.834 27.120 -11.098 424 HH22 ARG 65 HH22 ARG 65 11.909 28.108 -10.016 425 H PHE 66 H PHE 66 13.149 24.658 -18.193 426 HA PHE 66 HA PHE 66 15.177 24.315 -19.323 427 HB2 PHE 66 HB2 PHE 66 15.041 27.275 -19.957 428 HB3 PHE 66 HB3 PHE 66 15.955 26.041 -20.824 429 HD1 PHE 66 HD1 PHE 66 13.737 27.965 -21.903 430 HD2 PHE 66 HD2 PHE 66 13.707 23.892 -20.541 431 HE1 PHE 66 HE1 PHE 66 11.760 27.503 -23.327 432 HE2 PHE 66 HE2 PHE 66 11.729 23.429 -21.965 433 HZ PHE 66 HZ PHE 66 10.756 25.236 -23.358 434 H ALA 67 H ALA 67 15.071 25.147 -16.480 435 HA ALA 67 HA ALA 67 17.050 27.037 -15.790 436 HB1 ALA 67 HB1 ALA 67 17.381 25.431 -13.752 437 HB2 ALA 67 HB2 ALA 67 16.041 24.531 -14.462 438 HB3 ALA 67 HB3 ALA 67 15.815 26.209 -13.974 439 H VAL 68 H VAL 68 19.225 27.055 -16.106 440 HA VAL 68 HA VAL 68 20.567 24.441 -16.678 441 HB VAL 68 HB VAL 68 20.391 25.799 -18.725 442 HG11 VAL 68 HG11 VAL 68 20.617 27.948 -17.026 443 HG12 VAL 68 HG12 VAL 68 20.786 28.037 -18.780 444 HG13 VAL 68 HG13 VAL 68 22.219 27.900 -17.761 445 HG21 VAL 68 HG21 VAL 68 22.600 25.498 -19.384 446 HG22 VAL 68 HG22 VAL 68 22.557 24.500 -17.930 447 HG23 VAL 68 HG23 VAL 68 23.246 26.122 -17.867 448 H ALA 69 H ALA 69 22.754 24.267 -15.895 449 HA ALA 69 HA ALA 69 23.717 26.451 -14.132 450 HB1 ALA 69 HB1 ALA 69 23.453 23.591 -13.161 451 HB2 ALA 69 HB2 ALA 69 22.324 24.879 -12.743 452 HB3 ALA 69 HB3 ALA 69 24.008 24.981 -12.227 453 H LEU 70 H LEU 70 25.991 26.394 -13.824 454 HA LEU 70 HA LEU 70 27.411 24.609 -15.735 455 HB2 LEU 70 HB2 LEU 70 28.385 27.071 -14.250 456 HB3 LEU 70 HB3 LEU 70 29.292 26.179 -15.471 457 HG LEU 70 HG LEU 70 26.623 26.902 -16.406 458 HD11 LEU 70 HD21 LEU 70 26.758 29.244 -16.374 459 HD12 LEU 70 HD22 LEU 70 28.488 29.235 -16.032 460 HD13 LEU 70 HD23 LEU 70 27.337 28.810 -14.765 461 HD21 LEU 70 HD11 LEU 70 29.444 26.884 -17.308 462 HD22 LEU 70 HD12 LEU 70 28.424 28.114 -18.054 463 HD23 LEU 70 HD13 LEU 70 27.982 26.411 -18.173 464 H ASP 71 H ASP 71 29.175 23.317 -15.035 465 HA ASP 71 HA ASP 71 29.016 22.487 -12.224 466 HB2 ASP 71 HB3 ASP 71 29.362 20.962 -14.304 467 HB3 ASP 71 HB2 ASP 71 31.045 21.481 -14.212 468 H SER 72 H SER 72 30.724 22.665 -10.717 469 HA SER 72 HA SER 72 32.184 25.011 -10.556 470 HB2 SER 72 HB2 SER 72 33.575 23.935 -8.903 471 HB3 SER 72 HB3 SER 72 31.954 23.253 -8.757 472 HG SER 72 HG SER 72 33.770 21.726 -8.824 473 H GLU 73 H GLU 73 32.908 22.220 -12.520 474 HA GLU 73 HA GLU 73 35.663 23.117 -13.053 475 HB2 GLU 73 HB3 GLU 73 34.041 20.898 -14.337 476 HB3 GLU 73 HB2 GLU 73 35.777 21.154 -14.522 477 HG2 GLU 73 HG2 GLU 73 36.087 20.823 -12.097 478 HG3 GLU 73 HG3 GLU 73 34.351 20.578 -11.905 479 H GLN 74 H GLN 74 33.281 24.816 -13.793 480 HA GLN 74 HA GLN 74 32.642 26.173 -15.596 481 HB2 GLN 74 HB2 GLN 74 35.270 25.178 -16.743 482 HB3 GLN 74 HB3 GLN 74 34.349 26.562 -17.334 483 HG2 GLN 74 HG2 GLN 74 34.596 27.657 -15.128 484 HG3 GLN 74 HG3 GLN 74 35.538 26.280 -14.555 485 HE21 GLN 74 HE21 GLN 74 36.702 28.880 -14.623 486 HE22 GLN 74 HE22 GLN 74 37.932 28.879 -15.792 487 H ASN 75 H ASN 75 31.594 23.528 -15.520 488 HA ASN 75 HA ASN 75 31.567 22.797 -18.421 489 HB2 ASN 75 HB2 ASN 75 30.777 21.115 -16.022 490 HB3 ASN 75 HB3 ASN 75 30.812 20.576 -17.701 491 HD21 ASN 75 HD21 ASN 75 32.419 19.199 -15.872 492 HD22 ASN 75 HD22 ASN 75 34.049 19.544 -16.193 493 H ASN 76 H ASN 76 29.495 22.343 -19.386 494 HA ASN 76 HA ASN 76 27.331 23.976 -18.229 495 HB2 ASN 76 HB2 ASN 76 27.584 22.481 -20.854 496 HB3 ASN 76 HB3 ASN 76 26.175 23.437 -20.395 497 HD21 ASN 76 HD21 ASN 76 27.654 24.203 -22.673 498 HD22 ASN 76 HD22 ASN 76 28.500 25.637 -22.346 499 H ILE 77 H ILE 77 25.634 23.113 -17.124 500 HA ILE 77 HA ILE 77 25.216 20.157 -17.325 501 HB ILE 77 HB ILE 77 24.799 21.924 -14.894 502 HG12 ILE 77 HG12 ILE 77 26.909 19.813 -15.439 503 HG13 ILE 77 HG13 ILE 77 27.195 21.552 -15.489 504 HG21 ILE 77 HG21 ILE 77 24.858 18.922 -14.896 505 HG22 ILE 77 HG22 ILE 77 23.376 19.756 -15.366 506 HG23 ILE 77 HG23 ILE 77 24.066 20.019 -13.765 507 HD11 ILE 77 HD11 ILE 77 27.386 21.648 -13.245 508 HD12 ILE 77 HD12 ILE 77 27.341 19.884 -13.228 509 HD13 ILE 77 HD13 ILE 77 25.851 20.808 -13.029 510 H HIS 78 H HIS 78 23.061 19.467 -17.482 511 HA HIS 78 HA HIS 78 20.986 21.615 -17.527 512 HB2 HIS 78 HB3 HIS 78 21.359 19.397 -19.563 513 HB3 HIS 78 HB2 HIS 78 19.971 20.484 -19.505 514 HD1 HIS 78 HD1 HIS 78 23.591 20.348 -20.428 515 HD2 HIS 78 HD2 HIS 78 20.550 23.195 -20.258 516 HE1 HIS 78 HE1 HIS 78 24.446 22.384 -21.668 517 H VAL 79 H VAL 79 18.835 20.849 -17.043 518 HA VAL 79 HA VAL 79 18.620 19.001 -14.943 519 HB VAL 79 HB VAL 79 16.237 19.098 -15.265 520 HG11 VAL 79 HG21 VAL 79 16.163 21.304 -14.791 521 HG12 VAL 79 HG22 VAL 79 16.645 21.731 -16.433 522 HG13 VAL 79 HG23 VAL 79 17.872 21.374 -15.218 523 HG21 VAL 79 HG11 VAL 79 15.467 20.238 -17.505 524 HG22 VAL 79 HG12 VAL 79 15.842 18.514 -17.495 525 HG23 VAL 79 HG13 VAL 79 17.024 19.670 -18.109 526 H LYS 80 H LYS 80 18.783 18.427 -18.374 527 HA LYS 80 HA LYS 80 18.267 15.524 -17.864 528 HB2 LYS 80 HB2 LYS 80 16.655 16.700 -19.418 529 HB3 LYS 80 HB3 LYS 80 18.011 16.974 -20.512 530 HG2 LYS 80 HG2 LYS 80 18.405 14.529 -20.612 531 HG3 LYS 80 HG3 LYS 80 17.022 14.271 -19.549 532 HD2 LYS 80 HD2 LYS 80 15.568 15.407 -21.229 533 HD3 LYS 80 HD3 LYS 80 16.960 15.543 -22.303 534 HE2 LYS 80 HE2 LYS 80 15.905 13.571 -23.042 535 HE3 LYS 80 HE3 LYS 80 17.176 12.970 -21.977 536 HZ1 LYS 80 HZ1 LYS 80 14.305 13.330 -21.321 537 HZ2 LYS 80 HZ2 LYS 80 15.498 12.972 -20.166 538 HZ3 LYS 80 HZ3 LYS 80 15.163 11.870 -21.414 539 H ASP 81 H ASP 81 20.461 15.030 -17.380 540 HA ASP 81 HA ASP 81 22.148 14.603 -19.705 541 HB2 ASP 81 HB2 ASP 81 22.519 17.054 -19.171 542 HB3 ASP 81 HB3 ASP 81 23.197 16.540 -17.626 543 H ILE 82 H ILE 82 24.257 13.559 -19.018 544 HA ILE 82 HA ILE 82 23.737 11.858 -16.644 545 HB ILE 82 HB ILE 82 25.907 11.632 -18.753 546 HG12 ILE 82 HG12 ILE 82 23.309 10.090 -18.501 547 HG13 ILE 82 HG13 ILE 82 23.563 11.419 -19.634 548 HG21 ILE 82 HG21 ILE 82 26.066 9.303 -17.885 549 HG22 ILE 82 HG22 ILE 82 24.892 9.712 -16.635 550 HG23 ILE 82 HG23 ILE 82 26.468 10.502 -16.655 551 HD11 ILE 82 HD11 ILE 82 24.001 9.397 -20.853 552 HD12 ILE 82 HD12 ILE 82 25.006 8.757 -19.553 553 HD13 ILE 82 HD13 ILE 82 25.571 10.124 -20.514 554 H VAL 83 H VAL 83 24.882 12.101 -14.774 555 HA VAL 83 HA VAL 83 27.340 13.804 -14.866 556 HB VAL 83 HB VAL 83 25.295 14.939 -13.858 557 HG11 VAL 83 HG11 VAL 83 24.800 12.571 -12.685 558 HG12 VAL 83 HG12 VAL 83 24.262 14.097 -11.983 559 HG13 VAL 83 HG13 VAL 83 25.734 13.325 -11.392 560 HG21 VAL 83 HG21 VAL 83 26.573 15.962 -12.130 561 HG22 VAL 83 HG22 VAL 83 27.760 15.425 -13.318 562 HG23 VAL 83 HG23 VAL 83 27.504 14.492 -11.843 563 H LYS 84 H LYS 84 28.965 13.229 -13.283 564 HA LYS 84 HA LYS 84 28.755 10.380 -12.461 565 HB2 LYS 84 HB2 LYS 84 30.733 11.113 -13.802 566 HB3 LYS 84 HB3 LYS 84 31.184 12.196 -12.485 567 HG2 LYS 84 HG2 LYS 84 31.392 10.295 -10.955 568 HG3 LYS 84 HG3 LYS 84 30.858 9.192 -12.222 569 HD2 LYS 84 HD2 LYS 84 32.834 10.006 -13.601 570 HD3 LYS 84 HD3 LYS 84 33.410 10.818 -12.146 571 HE2 LYS 84 HE2 LYS 84 34.112 8.876 -11.212 572 HE3 LYS 84 HE3 LYS 84 32.641 8.023 -11.683 573 HZ1 LYS 84 HZ1 LYS 84 33.779 7.066 -13.301 574 HZ2 LYS 84 HZ2 LYS 84 35.177 7.941 -12.891 575 HZ3 LYS 84 HZ3 LYS 84 34.066 8.581 -14.007 576 H VAL 85 H VAL 85 29.097 9.751 -10.296 577 HA VAL 85 HA VAL 85 28.726 11.943 -8.315 578 HB VAL 85 HB VAL 85 28.450 8.965 -7.844 579 HG11 VAL 85 HG21 VAL 85 28.694 10.458 -5.865 580 HG12 VAL 85 HG22 VAL 85 27.109 9.688 -5.932 581 HG13 VAL 85 HG23 VAL 85 27.290 11.375 -6.413 582 HG21 VAL 85 HG11 VAL 85 26.067 9.219 -8.254 583 HG22 VAL 85 HG12 VAL 85 26.944 9.766 -9.683 584 HG23 VAL 85 HG13 VAL 85 26.267 10.944 -8.558 585 H ILE 86 H ILE 86 30.622 12.630 -7.453 586 HA ILE 86 HA ILE 86 32.635 10.553 -6.699 587 HB ILE 86 HB ILE 86 33.215 13.344 -7.739 588 HG12 ILE 86 HG12 ILE 86 33.779 10.677 -9.057 589 HG13 ILE 86 HG13 ILE 86 32.360 11.655 -9.430 590 HG21 ILE 86 HG21 ILE 86 34.925 11.068 -6.737 591 HG22 ILE 86 HG22 ILE 86 34.969 12.766 -6.261 592 HG23 ILE 86 HG23 ILE 86 35.573 12.279 -7.844 593 HD11 ILE 86 HD11 ILE 86 33.822 12.455 -11.038 594 HD12 ILE 86 HD12 ILE 86 35.243 12.186 -10.030 595 HD13 ILE 86 HD13 ILE 86 34.190 13.566 -9.720 596 H ASP 87 H ASP 87 30.418 12.406 -5.392 597 HA ASP 87 HA ASP 87 32.181 13.323 -3.152 598 HB2 ASP 87 HB2 ASP 87 29.743 14.563 -4.403 599 HB3 ASP 87 HB3 ASP 87 30.121 14.886 -2.712 600 H GLY 88 H GLY 88 31.536 12.735 -1.067 601 HA2 GLY 88 HA2 GLY 88 30.205 11.718 0.606 602 HA3 GLY 88 HA3 GLY 88 28.910 11.547 -0.579 603 HA PRO 89 HA PRO 89 30.882 7.339 0.205 604 HB2 PRO 89 HB2 PRO 89 28.565 6.060 0.748 605 HB3 PRO 89 HB3 PRO 89 29.521 6.879 1.985 606 HG2 PRO 89 HG2 PRO 89 27.080 7.832 0.533 607 HG3 PRO 89 HG3 PRO 89 27.476 7.968 2.249 608 HD2 PRO 89 HD3 PRO 89 27.792 10.033 0.530 609 HD3 PRO 89 HD2 PRO 89 28.857 9.793 1.916 610 H HIS 90 H HIS 90 28.552 8.733 -1.879 611 HA HIS 90 HA HIS 90 28.169 6.290 -3.483 612 HB2 HIS 90 HB2 HIS 90 27.306 9.141 -4.058 613 HB3 HIS 90 HB3 HIS 90 26.748 7.690 -4.893 614 HD1 HIS 90 HD1 HIS 90 25.462 5.893 -3.301 615 HD2 HIS 90 HD2 HIS 90 25.839 9.756 -1.781 616 HE1 HIS 90 HE1 HIS 90 23.787 6.086 -1.411 617 H SER 91 H SER 91 30.383 8.864 -3.254 618 HA SER 91 HA SER 91 31.235 9.552 -5.757 619 HB2 SER 91 HB2 SER 91 33.180 10.154 -4.740 620 HB3 SER 91 HB3 SER 91 32.354 9.651 -3.265 621 HG SER 91 HG SER 91 34.550 8.696 -4.019 622 H GLY 92 H GLY 92 32.091 8.540 -7.541 623 HA2 GLY 92 HA2 GLY 92 33.416 6.788 -8.599 624 HA3 GLY 92 HA3 GLY 92 33.022 5.726 -7.247 625 H ARG 93 H ARG 93 30.229 7.346 -7.988 626 HA ARG 93 HA ARG 93 29.387 5.211 -9.916 627 HB2 ARG 93 HB2 ARG 93 27.791 6.446 -7.649 628 HB3 ARG 93 HB3 ARG 93 27.151 5.303 -8.829 629 HG2 ARG 93 HG2 ARG 93 28.899 3.660 -8.111 630 HG3 ARG 93 HG3 ARG 93 29.395 4.794 -6.854 631 HD2 ARG 93 HD3 ARG 93 27.008 4.761 -6.014 632 HD3 ARG 93 HD2 ARG 93 26.697 3.446 -7.146 633 HE ARG 93 HE ARG 93 28.958 3.029 -5.302 634 HH11 ARG 93 HH11 ARG 93 27.102 1.030 -6.814 635 HH12 ARG 93 HH12 ARG 93 26.265 0.326 -5.471 636 HH21 ARG 93 HH21 ARG 93 27.247 2.785 -3.231 637 HH22 ARG 93 HH22 ARG 93 26.348 1.319 -3.442 638 H GLU 94 H GLU 94 28.024 5.876 -11.610 639 HA GLU 94 HA GLU 94 27.846 8.827 -11.965 640 HB2 GLU 94 HB2 GLU 94 27.398 6.615 -13.993 641 HB3 GLU 94 HB3 GLU 94 27.500 8.343 -14.334 642 HG2 GLU 94 HG2 GLU 94 29.818 8.398 -13.593 643 HG3 GLU 94 HG3 GLU 94 29.730 6.713 -13.081 644 H GLY 95 H GLY 95 25.808 9.759 -12.671 645 HA2 GLY 95 HA2 GLY 95 23.420 8.016 -12.318 646 HA3 GLY 95 HA3 GLY 95 23.552 9.469 -11.327 647 H GLU 96 H GLU 96 21.409 9.162 -13.082 648 HA GLU 96 HA GLU 96 22.082 10.833 -15.450 649 HB2 GLU 96 HB2 GLU 96 20.706 8.736 -15.722 650 HB3 GLU 96 HB3 GLU 96 19.446 9.505 -14.758 651 HG2 GLU 96 HG2 GLU 96 19.354 11.368 -16.395 652 HG3 GLU 96 HG3 GLU 96 20.578 10.555 -17.371 653 H ILE 97 H ILE 97 21.364 12.937 -15.607 654 HA ILE 97 HA ILE 97 20.147 14.109 -13.185 655 HB ILE 97 HB ILE 97 21.265 15.338 -15.720 656 HG12 ILE 97 HG12 ILE 97 22.229 15.490 -12.851 657 HG13 ILE 97 HG13 ILE 97 22.863 14.351 -14.039 658 HG21 ILE 97 HG21 ILE 97 20.976 17.285 -13.700 659 HG22 ILE 97 HG22 ILE 97 19.439 16.422 -13.754 660 HG23 ILE 97 HG23 ILE 97 20.075 17.182 -15.213 661 HD11 ILE 97 HD11 ILE 97 24.163 15.945 -14.964 662 HD12 ILE 97 HD12 ILE 97 23.704 17.007 -13.632 663 HD13 ILE 97 HD13 ILE 97 22.785 17.033 -15.138 664 H ARG 98 H ARG 98 17.966 14.250 -13.060 665 HA ARG 98 HA ARG 98 16.404 14.353 -15.602 666 HB2 ARG 98 HB2 ARG 98 15.944 12.550 -13.837 667 HB3 ARG 98 HB3 ARG 98 15.307 13.847 -12.827 668 HG2 ARG 98 HG2 ARG 98 13.635 14.402 -14.487 669 HG3 ARG 98 HG3 ARG 98 14.351 13.286 -15.649 670 HD2 ARG 98 HD2 ARG 98 13.845 11.398 -14.111 671 HD3 ARG 98 HD3 ARG 98 13.071 12.530 -13.003 672 HE ARG 98 HE ARG 98 11.177 12.413 -14.387 673 HH11 ARG 98 HH11 ARG 98 13.770 10.843 -15.908 674 HH12 ARG 98 HH12 ARG 98 13.079 10.895 -17.496 675 HH21 ARG 98 HH21 ARG 98 10.385 12.860 -16.548 676 HH22 ARG 98 HH22 ARG 98 11.163 12.036 -17.858 677 H HIS 99 H HIS 99 16.215 15.699 -12.285 678 HA HIS 99 HA HIS 99 15.212 18.237 -13.517 679 HB2 HIS 99 HB2 HIS 99 14.722 17.613 -10.631 680 HB3 HIS 99 HB3 HIS 99 13.726 18.529 -11.761 681 HD1 HIS 99 HD1 HIS 99 12.310 17.114 -13.511 682 HD2 HIS 99 HD2 HIS 99 14.117 14.871 -10.497 683 HE1 HIS 99 HE1 HIS 99 11.196 14.839 -13.542 684 H LEU 100 H LEU 100 16.463 20.035 -13.121 685 HA LEU 100 HA LEU 100 18.725 19.686 -11.206 686 HB2 LEU 100 HB2 LEU 100 19.325 20.181 -13.572 687 HB3 LEU 100 HB3 LEU 100 18.424 21.692 -13.460 688 HG LEU 100 HG LEU 100 19.901 22.273 -11.462 689 HD11 LEU 100 HD11 LEU 100 20.778 19.602 -11.948 690 HD12 LEU 100 HD12 LEU 100 21.345 20.721 -10.708 691 HD13 LEU 100 HD13 LEU 100 22.134 20.678 -12.285 692 HD21 LEU 100 HD21 LEU 100 20.938 23.536 -13.008 693 HD22 LEU 100 HD22 LEU 100 20.378 22.441 -14.272 694 HD23 LEU 100 HD23 LEU 100 21.928 22.154 -13.480 695 H PHE 101 H PHE 101 18.909 21.054 -9.469 696 HA PHE 101 HA PHE 101 16.854 23.214 -9.247 697 HB2 PHE 101 HB2 PHE 101 16.667 21.294 -7.615 698 HB3 PHE 101 HB3 PHE 101 18.233 21.777 -6.965 699 HD1 PHE 101 HD1 PHE 101 18.285 23.322 -5.213 700 HD2 PHE 101 HD2 PHE 101 14.901 23.256 -7.855 701 HE1 PHE 101 HE1 PHE 101 17.171 25.053 -3.829 702 HE2 PHE 101 HE2 PHE 101 13.787 24.987 -6.473 703 HZ PHE 101 HZ PHE 101 14.922 25.885 -4.459 704 H ARG 102 H ARG 102 17.556 25.256 -8.616 705 HA ARG 102 HA ARG 102 20.009 26.246 -9.354 706 HB2 ARG 102 HB2 ARG 102 18.267 27.129 -7.043 707 HB3 ARG 102 HB3 ARG 102 19.645 28.060 -7.629 708 HG2 ARG 102 HG2 ARG 102 18.578 27.968 -9.936 709 HG3 ARG 102 HG3 ARG 102 17.137 27.318 -9.154 710 HD2 ARG 102 HD2 ARG 102 17.250 29.363 -7.604 711 HD3 ARG 102 HD3 ARG 102 18.415 30.027 -8.750 712 HE ARG 102 HE ARG 102 16.639 30.381 -10.276 713 HH11 ARG 102 HH11 ARG 102 14.400 30.670 -10.554 714 HH12 ARG 102 HH12 ARG 102 13.307 29.620 -9.718 715 HH21 ARG 102 HH21 ARG 102 15.803 27.991 -7.949 716 HH22 ARG 102 HH22 ARG 102 14.100 28.103 -8.243 717 H SER 103 H SER 103 19.277 24.745 -6.203 718 HA SER 103 HA SER 103 22.207 24.907 -5.609 719 HB2 SER 103 HB2 SER 103 19.778 25.057 -3.858 720 HB3 SER 103 HB3 SER 103 21.286 24.432 -3.189 721 HG SER 103 HG SER 103 20.917 26.777 -3.049 722 H PHE 104 H PHE 104 19.680 22.774 -6.382 723 HA PHE 104 HA PHE 104 21.395 20.485 -5.537 724 HB2 PHE 104 HB2 PHE 104 18.401 20.728 -5.122 725 HB3 PHE 104 HB3 PHE 104 19.314 19.234 -4.915 726 HD1 PHE 104 HD1 PHE 104 18.621 22.572 -3.549 727 HD2 PHE 104 HD2 PHE 104 20.931 18.982 -3.081 728 HE1 PHE 104 HE1 PHE 104 19.227 23.264 -1.247 729 HE2 PHE 104 HE2 PHE 104 21.538 19.674 -0.778 730 HZ PHE 104 HZ PHE 104 20.686 21.815 0.138 731 H ALA 105 H ALA 105 20.210 18.388 -6.580 732 HA ALA 105 HA ALA 105 19.075 18.979 -9.232 733 HB1 ALA 105 HB1 ALA 105 21.784 18.910 -9.122 734 HB2 ALA 105 HB2 ALA 105 20.864 18.374 -10.528 735 HB3 ALA 105 HB3 ALA 105 21.444 17.194 -9.351 736 H PHE 106 H PHE 106 17.559 17.430 -9.610 737 HA PHE 106 HA PHE 106 17.541 15.015 -7.917 738 HB2 PHE 106 HB3 PHE 106 15.591 16.125 -9.951 739 HB3 PHE 106 HB2 PHE 106 15.342 14.599 -9.103 740 HD1 PHE 106 HD1 PHE 106 15.076 14.561 -6.635 741 HD2 PHE 106 HD2 PHE 106 15.311 18.243 -8.832 742 HE1 PHE 106 HE1 PHE 106 14.164 15.785 -4.681 743 HE2 PHE 106 HE2 PHE 106 14.400 19.468 -6.878 744 HZ PHE 106 HZ PHE 106 13.824 18.236 -4.802 745 H LEU 107 H LEU 107 17.930 12.945 -8.677 746 HA LEU 107 HA LEU 107 18.643 12.714 -11.574 747 HB2 LEU 107 HB3 LEU 107 19.893 11.314 -9.191 748 HB3 LEU 107 HB2 LEU 107 20.287 10.976 -10.877 749 HG LEU 107 HG LEU 107 20.552 13.701 -10.800 750 HD11 LEU 107 HD11 LEU 107 21.166 14.484 -8.755 751 HD12 LEU 107 HD12 LEU 107 22.069 13.020 -8.364 752 HD13 LEU 107 HD13 LEU 107 20.319 13.065 -8.139 753 HD21 LEU 107 HD21 LEU 107 23.087 12.890 -10.199 754 HD22 LEU 107 HD22 LEU 107 22.353 12.716 -11.793 755 HD23 LEU 107 HD23 LEU 107 22.352 11.357 -10.670 756 H HIS 108 H HIS 108 18.321 10.494 -12.455 757 HA HIS 108 HA HIS 108 16.079 9.102 -11.041 758 HB2 HIS 108 HB2 HIS 108 15.420 10.228 -13.176 759 HB3 HIS 108 HB3 HIS 108 16.592 9.223 -14.028 760 HD1 HIS 108 HD1 HIS 108 14.643 8.053 -15.350 761 HD2 HIS 108 HD2 HIS 108 14.486 7.497 -11.221 762 HE1 HIS 108 HE1 HIS 108 12.985 6.185 -14.943 763 H CYS 109 H CYS 109 16.365 6.939 -10.646 764 HA CYS 109 HA CYS 109 18.762 5.646 -11.888 765 HB2 CYS 109 HB3 CYS 109 18.693 6.187 -9.310 766 HB3 CYS 109 HB2 CYS 109 17.655 4.763 -9.240 767 HG CYS 109 HG CYS 109 20.668 4.747 -9.794 768 H LYS 110 H LYS 110 17.795 4.433 -13.499 769 HA LYS 110 HA LYS 110 15.230 3.195 -13.316 770 HB2 LYS 110 HB2 LYS 110 16.445 3.568 -15.455 771 HB3 LYS 110 HB3 LYS 110 17.609 2.328 -14.988 772 HG2 LYS 110 HG2 LYS 110 15.700 0.703 -14.796 773 HG3 LYS 110 HG3 LYS 110 14.635 1.949 -15.447 774 HD2 LYS 110 HD2 LYS 110 16.175 2.089 -17.449 775 HD3 LYS 110 HD3 LYS 110 17.019 0.674 -16.818 776 HE2 LYS 110 HE2 LYS 110 15.140 -0.722 -17.108 777 HE3 LYS 110 HE3 LYS 110 14.029 0.643 -17.207 778 HZ1 LYS 110 HZ1 LYS 110 14.730 -0.567 -19.354 779 HZ2 LYS 110 HZ2 LYS 110 16.166 0.330 -19.208 780 HZ3 LYS 110 HZ3 LYS 110 14.672 1.128 -19.349 781 H LYS 111 H LYS 111 18.337 2.281 -12.067 782 HA LYS 111 HA LYS 111 17.963 -0.534 -11.829 783 HB2 LYS 111 HB2 LYS 111 19.494 1.409 -10.075 784 HB3 LYS 111 HB3 LYS 111 19.604 -0.345 -9.933 785 HG2 LYS 111 HG2 LYS 111 20.291 -0.436 -12.345 786 HG3 LYS 111 HG3 LYS 111 20.323 1.327 -12.358 787 HD2 LYS 111 HD2 LYS 111 21.973 1.259 -10.475 788 HD3 LYS 111 HD3 LYS 111 22.005 -0.499 -10.615 789 HE2 LYS 111 HE2 LYS 111 23.268 -0.446 -12.512 790 HE3 LYS 111 HE3 LYS 111 22.410 0.953 -13.158 791 HZ1 LYS 111 HZ1 LYS 111 24.230 2.087 -12.614 792 HZ2 LYS 111 HZ2 LYS 111 24.836 0.841 -11.630 793 HZ3 LYS 111 HZ3 LYS 111 23.715 1.953 -11.003 794 H LEU 112 H LEU 112 16.856 2.164 -9.831 795 HA LEU 112 HA LEU 112 15.522 0.208 -8.014 796 HB2 LEU 112 HB3 LEU 112 16.968 1.941 -6.957 797 HB3 LEU 112 HB2 LEU 112 15.939 3.192 -7.653 798 HG LEU 112 HG LEU 112 14.013 2.356 -6.412 799 HD11 LEU 112 HD21 LEU 112 14.654 0.522 -4.626 800 HD12 LEU 112 HD22 LEU 112 15.922 0.125 -5.785 801 HD13 LEU 112 HD23 LEU 112 14.229 0.039 -6.267 802 HD21 LEU 112 HD11 LEU 112 14.813 3.746 -4.823 803 HD22 LEU 112 HD12 LEU 112 16.478 3.263 -5.151 804 HD23 LEU 112 HD13 LEU 112 15.489 2.320 -4.037 805 H VAL 113 H VAL 113 13.354 -0.064 -8.230 806 HA VAL 113 HA VAL 113 11.832 2.050 -9.704 807 HB VAL 113 HB VAL 113 11.341 -0.944 -9.653 808 HG11 VAL 113 HG11 VAL 113 9.648 -0.372 -11.415 809 HG12 VAL 113 HG12 VAL 113 9.921 1.334 -11.062 810 HG13 VAL 113 HG13 VAL 113 9.245 0.274 -9.824 811 HG21 VAL 113 HG21 VAL 113 11.819 0.366 -12.225 812 HG22 VAL 113 HG22 VAL 113 12.560 -1.088 -11.554 813 HG23 VAL 113 HG23 VAL 113 13.198 0.501 -11.133 814 H GLU 114 H GLU 114 12.167 0.285 -6.800 815 HA GLU 114 HA GLU 114 9.536 0.077 -5.831 816 HB2 GLU 114 HB2 GLU 114 12.064 0.838 -4.339 817 HB3 GLU 114 HB3 GLU 114 10.552 0.375 -3.560 818 HG2 GLU 114 HG2 GLU 114 10.638 -1.796 -4.810 819 HG3 GLU 114 HG3 GLU 114 12.224 -1.333 -5.427 820 H ASN 115 H ASN 115 11.733 2.891 -5.665 821 HA ASN 115 HA ASN 115 9.320 4.569 -5.097 822 HB2 ASN 115 HB2 ASN 115 12.200 5.060 -4.274 823 HB3 ASN 115 HB3 ASN 115 10.841 6.132 -3.936 824 HD21 ASN 115 HD21 ASN 115 12.400 4.922 -1.835 825 HD22 ASN 115 HD22 ASN 115 11.327 3.955 -0.949 826 H GLY 116 H GLY 116 10.794 3.717 -7.673 827 HA2 GLY 116 HA3 GLY 116 10.823 4.890 -9.758 828 HA3 GLY 116 HA2 GLY 116 10.750 6.414 -8.873 829 H GLY 117 H GLY 117 13.025 4.875 -7.205 830 HA2 GLY 117 HA2 GLY 117 15.367 4.993 -7.155 831 HA3 GLY 117 HA3 GLY 117 15.310 4.753 -8.902 832 H MET 118 H MET 118 13.777 7.446 -7.211 833 HA MET 118 HA MET 118 15.499 9.290 -8.783 834 HB2 MET 118 HB2 MET 118 12.906 9.740 -7.275 835 HB3 MET 118 HB3 MET 118 13.797 11.006 -8.120 836 HG2 MET 118 HG2 MET 118 12.916 8.462 -9.496 837 HG3 MET 118 HG3 MET 118 11.894 9.898 -9.430 838 HE1 MET 118 HE1 MET 118 13.105 12.136 -9.505 839 HE2 MET 118 HE2 MET 118 12.423 12.166 -11.129 840 HE3 MET 118 HE3 MET 118 14.103 12.633 -10.877 841 H PHE 119 H PHE 119 17.199 10.199 -7.745 842 HA PHE 119 HA PHE 119 16.927 10.735 -4.818 843 HB2 PHE 119 HB2 PHE 119 19.323 10.149 -4.556 844 HB3 PHE 119 HB3 PHE 119 18.378 8.774 -5.126 845 HD1 PHE 119 HD1 PHE 119 18.401 8.177 -7.572 846 HD2 PHE 119 HD2 PHE 119 21.058 11.103 -5.891 847 HE1 PHE 119 HE1 PHE 119 19.856 8.004 -9.573 848 HE2 PHE 119 HE2 PHE 119 22.514 10.930 -7.891 849 HZ PHE 119 HZ PHE 119 21.913 9.381 -9.733 850 H VAL 120 H VAL 120 18.057 12.624 -4.090 851 HA VAL 120 HA VAL 120 18.958 14.419 -6.309 852 HB VAL 120 HB VAL 120 16.870 15.263 -5.450 853 HG11 VAL 120 HG11 VAL 120 17.911 14.178 -2.976 854 HG12 VAL 120 HG12 VAL 120 16.256 14.644 -3.373 855 HG13 VAL 120 HG13 VAL 120 17.385 15.846 -2.746 856 HG21 VAL 120 HG21 VAL 120 18.684 16.929 -5.816 857 HG22 VAL 120 HG22 VAL 120 19.144 16.767 -4.120 858 HG23 VAL 120 HG23 VAL 120 17.566 17.430 -4.547 859 H CYS 121 H CYS 121 20.655 15.936 -5.726 860 HA CYS 121 HA CYS 121 22.022 15.578 -3.148 861 HB2 CYS 121 HB3 CYS 121 23.221 14.668 -5.773 862 HB3 CYS 121 HB2 CYS 121 24.208 15.053 -4.363 863 HG CYS 121 HG CYS 121 23.318 13.021 -3.147 864 H LYS 122 H LYS 122 23.986 17.085 -3.074 865 HA LYS 122 HA LYS 122 23.218 19.692 -4.008 866 HB2 LYS 122 HB2 LYS 122 24.696 19.093 -1.983 867 HB3 LYS 122 HB3 LYS 122 26.010 18.922 -3.147 868 HG2 LYS 122 HG2 LYS 122 25.545 21.246 -3.945 869 HG3 LYS 122 HG3 LYS 122 24.330 21.404 -2.676 870 HD2 LYS 122 HD2 LYS 122 26.053 20.999 -0.964 871 HD3 LYS 122 HD3 LYS 122 27.272 20.809 -2.223 872 HE2 LYS 122 HE2 LYS 122 27.148 23.087 -2.848 873 HE3 LYS 122 HE3 LYS 122 25.602 23.316 -2.030 874 HZ1 LYS 122 HZ1 LYS 122 26.604 23.670 -0.082 875 HZ2 LYS 122 HZ2 LYS 122 28.012 23.941 -0.994 876 HZ3 LYS 122 HZ3 LYS 122 27.723 22.416 -0.301 877 H THR 123 H THR 123 23.547 20.551 -5.996 878 HA THR 123 HA THR 123 24.511 19.266 -8.233 879 HB THR 123 HB THR 123 24.887 21.453 -9.241 880 HG1 THR 123 HG1 THR 123 25.626 23.009 -8.069 881 HG21 THR 123 HG21 THR 123 22.677 21.839 -7.226 882 HG22 THR 123 HG22 THR 123 22.542 20.654 -8.525 883 HG23 THR 123 HG23 THR 123 22.730 22.365 -8.909 884 H ARG 124 H ARG 124 26.418 20.667 -5.651 885 HA ARG 124 HA ARG 124 28.935 20.647 -7.089 886 HB2 ARG 124 HB2 ARG 124 28.603 22.037 -5.080 887 HB3 ARG 124 HB3 ARG 124 28.385 20.583 -4.105 888 HG2 ARG 124 HG2 ARG 124 30.686 19.849 -4.859 889 HG3 ARG 124 HG3 ARG 124 30.886 21.444 -5.583 890 HD2 ARG 124 HD2 ARG 124 30.382 22.446 -3.324 891 HD3 ARG 124 HD3 ARG 124 30.421 20.815 -2.655 892 HE ARG 124 HE ARG 124 32.767 22.247 -3.807 893 HH11 ARG 124 HH11 ARG 124 33.008 21.730 -0.998 894 HH12 ARG 124 HH12 ARG 124 33.767 20.175 -0.903 895 HH21 ARG 124 HH21 ARG 124 33.025 19.319 -4.180 896 HH22 ARG 124 HH22 ARG 124 33.777 18.810 -2.705 897 H HIS 125 H HIS 125 27.197 18.320 -5.072 898 HA HIS 125 HA HIS 125 29.344 16.439 -4.794 899 HB2 HIS 125 HB2 HIS 125 26.335 16.069 -4.765 900 HB3 HIS 125 HB3 HIS 125 27.482 14.791 -4.363 901 HD1 HIS 125 HD1 HIS 125 25.591 15.725 -2.165 902 HD2 HIS 125 HD2 HIS 125 29.336 17.442 -2.799 903 HE1 HIS 125 HE1 HIS 125 26.256 16.819 0.020 904 H LEU 126 H LEU 126 27.045 17.083 -7.368 905 HA LEU 126 HA LEU 126 27.863 14.641 -8.824 906 HB2 LEU 126 HB2 LEU 126 26.007 16.859 -9.734 907 HB3 LEU 126 HB3 LEU 126 26.157 15.246 -10.431 908 HG LEU 126 HG LEU 126 25.169 15.913 -7.641 909 HD11 LEU 126 HD11 LEU 126 23.258 16.217 -8.850 910 HD12 LEU 126 HD12 LEU 126 23.225 14.454 -8.878 911 HD13 LEU 126 HD13 LEU 126 23.887 15.345 -10.248 912 HD21 LEU 126 HD21 LEU 126 25.554 13.244 -9.032 913 HD22 LEU 126 HD22 LEU 126 24.757 13.467 -7.475 914 HD23 LEU 126 HD23 LEU 126 26.474 13.833 -7.648 915 H VAL 127 H VAL 127 29.154 14.688 -10.680 916 HA VAL 127 HA VAL 127 30.251 17.363 -11.451 917 HB VAL 127 HB VAL 127 31.880 16.039 -10.096 918 HG11 VAL 127 HG21 VAL 127 30.855 13.895 -11.538 919 HG12 VAL 127 HG22 VAL 127 32.287 13.852 -10.510 920 HG13 VAL 127 HG23 VAL 127 32.453 14.136 -12.244 921 HG21 VAL 127 HG11 VAL 127 32.850 16.070 -12.945 922 HG22 VAL 127 HG12 VAL 127 33.710 16.538 -11.478 923 HG23 VAL 127 HG13 VAL 127 32.446 17.582 -12.131 924 H LEU 128 H LEU 128 30.171 17.760 -13.620 925 HA LEU 128 HA LEU 128 28.875 15.869 -15.383 926 HB2 LEU 128 HB2 LEU 128 28.738 18.365 -15.624 927 HB3 LEU 128 HB3 LEU 128 30.428 18.366 -16.130 928 HG LEU 128 HG LEU 128 29.781 16.732 -17.953 929 HD11 LEU 128 HD11 LEU 128 27.011 17.502 -16.989 930 HD12 LEU 128 HD12 LEU 128 27.710 15.884 -17.004 931 HD13 LEU 128 HD13 LEU 128 27.336 16.697 -18.524 932 HD21 LEU 128 HD21 LEU 128 28.791 19.557 -17.769 933 HD22 LEU 128 HD22 LEU 128 28.376 18.602 -19.193 934 HD23 LEU 128 HD23 LEU 128 30.069 18.885 -18.784 935 H ALA 129 H ALA 129 29.832 14.229 -16.478 936 HA ALA 129 HA ALA 129 32.636 13.681 -16.278 937 HB1 ALA 129 HB1 ALA 129 31.170 12.509 -18.574 938 HB2 ALA 129 HB2 ALA 129 30.465 12.208 -16.986 939 HB3 ALA 129 HB3 ALA 129 32.123 11.712 -17.322 940 H GLY 130 H GLY 130 30.682 15.274 -18.765 941 HA2 GLY 130 HA2 GLY 130 32.980 16.674 -19.808 942 HA3 GLY 130 HA3 GLY 130 32.501 15.367 -20.891 Start of MODEL 11 1 H GLN 16 H GLN 16 -3.604 11.703 -13.127 2 HA GLN 16 HA GLN 16 -4.790 13.826 -13.226 3 HB2 GLN 16 HB2 GLN 16 -4.347 13.823 -10.224 4 HB3 GLN 16 HB3 GLN 16 -5.205 15.068 -11.133 5 HG2 GLN 16 HG2 GLN 16 -5.992 12.146 -10.903 6 HG3 GLN 16 HG3 GLN 16 -6.821 13.514 -10.159 7 HE21 GLN 16 HE21 GLN 16 -7.234 11.448 -12.651 8 HE22 GLN 16 HE22 GLN 16 -7.979 12.466 -13.785 9 H HIS 17 H HIS 17 -1.859 13.075 -11.453 10 HA HIS 17 HA HIS 17 -0.729 15.724 -12.239 11 HB2 HIS 17 HB2 HIS 17 0.224 13.680 -10.211 12 HB3 HIS 17 HB3 HIS 17 1.076 15.173 -10.601 13 HD1 HIS 17 HD1 HIS 17 -2.280 16.136 -10.899 14 HD2 HIS 17 HD2 HIS 17 0.126 15.295 -7.601 15 HE1 HIS 17 HE1 HIS 17 -3.382 17.249 -8.908 16 H GLU 18 H GLU 18 1.973 15.048 -12.237 17 HA GLU 18 HA GLU 18 2.139 13.047 -14.456 18 HB2 GLU 18 HB2 GLU 18 2.424 15.390 -15.254 19 HB3 GLU 18 HB3 GLU 18 3.779 15.579 -14.142 20 HG2 GLU 18 HG2 GLU 18 4.924 13.670 -15.268 21 HG3 GLU 18 HG3 GLU 18 3.595 13.591 -16.424 22 H TRP 19 H TRP 19 4.008 11.712 -14.451 23 HA TRP 19 HA TRP 19 5.211 11.331 -11.809 24 HB2 TRP 19 HB3 TRP 19 4.580 9.431 -13.328 25 HB3 TRP 19 HB2 TRP 19 5.870 9.935 -14.419 26 HD1 TRP 19 HD1 TRP 19 5.237 8.211 -11.114 27 HE1 TRP 19 HE1 TRP 19 7.454 7.248 -10.217 28 HE3 TRP 19 HE3 TRP 19 8.517 10.327 -14.408 29 HZ2 TRP 19 HZ2 TRP 19 10.248 7.358 -10.818 30 HZ3 TRP 19 HZ3 TRP 19 10.948 9.882 -14.223 31 HH2 TRP 19 HH2 TRP 19 11.816 8.401 -12.435 32 H GLY 20 H GLY 20 7.175 12.116 -11.173 33 HA2 GLY 20 HA3 GLY 20 9.506 12.675 -11.577 34 HA3 GLY 20 HA2 GLY 20 9.102 12.992 -13.264 35 H GLU 21 H GLU 21 6.616 14.363 -11.686 36 HA GLU 21 HA GLU 21 7.411 17.040 -12.188 37 HB2 GLU 21 HB2 GLU 21 5.047 16.270 -11.872 38 HB3 GLU 21 HB3 GLU 21 5.369 16.110 -10.146 39 HG2 GLU 21 HG3 GLU 21 6.014 18.527 -10.090 40 HG3 GLU 21 HG2 GLU 21 5.545 18.656 -11.786 41 H LEU 22 H LEU 22 8.539 18.518 -10.976 42 HA LEU 22 HA LEU 22 9.706 17.544 -8.425 43 HB2 LEU 22 HB2 LEU 22 11.205 18.467 -10.203 44 HB3 LEU 22 HB3 LEU 22 10.389 20.023 -10.035 45 HG LEU 22 HG LEU 22 10.988 19.921 -7.557 46 HD11 LEU 22 HD11 LEU 22 13.122 17.972 -8.363 47 HD12 LEU 22 HD12 LEU 22 11.534 17.360 -7.902 48 HD13 LEU 22 HD13 LEU 22 12.475 18.316 -6.758 49 HD21 LEU 22 HD21 LEU 22 12.926 21.092 -7.975 50 HD22 LEU 22 HD22 LEU 22 12.303 21.019 -9.624 51 HD23 LEU 22 HD23 LEU 22 13.541 19.878 -9.097 52 H VAL 23 H VAL 23 9.438 18.698 -6.476 53 HA VAL 23 HA VAL 23 7.667 21.086 -6.538 54 HB VAL 23 HB VAL 23 6.257 20.151 -4.746 55 HG11 VAL 23 HG21 VAL 23 6.542 18.511 -7.273 56 HG12 VAL 23 HG22 VAL 23 5.396 19.812 -6.951 57 HG13 VAL 23 HG23 VAL 23 5.225 18.263 -6.126 58 HG21 VAL 23 HG11 VAL 23 6.852 17.393 -4.909 59 HG22 VAL 23 HG12 VAL 23 7.083 18.452 -3.517 60 HG23 VAL 23 HG13 VAL 23 8.396 18.210 -4.670 61 H GLN 24 H GLN 24 8.002 22.488 -4.761 62 HA GLN 24 HA GLN 24 10.487 21.923 -3.227 63 HB2 GLN 24 HB2 GLN 24 9.142 24.338 -4.239 64 HB3 GLN 24 HB3 GLN 24 9.735 24.495 -2.586 65 HG2 GLN 24 HG2 GLN 24 11.966 23.699 -3.330 66 HG3 GLN 24 HG3 GLN 24 11.366 23.607 -4.985 67 HE21 GLN 24 HE21 GLN 24 12.674 25.742 -2.587 68 HE22 GLN 24 HE22 GLN 24 12.528 27.176 -3.484 69 H LEU 25 H LEU 25 9.961 20.786 -1.390 70 HA LEU 25 HA LEU 25 7.465 21.016 0.001 71 HB2 LEU 25 HB2 LEU 25 10.179 19.980 0.857 72 HB3 LEU 25 HB3 LEU 25 8.750 19.891 1.887 73 HG LEU 25 HG LEU 25 7.625 18.788 -0.201 74 HD11 LEU 25 HD21 LEU 25 10.488 18.943 -0.940 75 HD12 LEU 25 HD22 LEU 25 9.064 18.815 -1.973 76 HD13 LEU 25 HD23 LEU 25 9.729 17.373 -1.202 77 HD21 LEU 25 HD11 LEU 25 9.689 16.970 0.931 78 HD22 LEU 25 HD12 LEU 25 7.940 16.770 0.847 79 HD23 LEU 25 HD13 LEU 25 8.650 17.798 2.091 80 H ASP 26 H ASP 26 10.460 22.830 0.175 81 HA ASP 26 HA ASP 26 9.141 24.817 1.892 82 HB2 ASP 26 HB3 ASP 26 10.961 22.831 2.980 83 HB3 ASP 26 HB2 ASP 26 11.607 24.458 3.193 84 HA PRO 27 HA PRO 27 11.889 27.686 -0.082 85 HB2 PRO 27 HB3 PRO 27 13.050 29.114 1.903 86 HB3 PRO 27 HB2 PRO 27 11.358 29.310 1.439 87 HG2 PRO 27 HG2 PRO 27 12.535 27.729 3.699 88 HG3 PRO 27 HG3 PRO 27 11.131 28.803 3.709 89 HD2 PRO 27 HD2 PRO 27 10.855 26.129 3.581 90 HD3 PRO 27 HD3 PRO 27 9.748 27.211 2.735 91 H GLN 28 H GLN 28 13.173 25.243 1.848 92 HA GLN 28 HA GLN 28 15.848 25.660 0.623 93 HB2 GLN 28 HB2 GLN 28 15.353 25.084 3.561 94 HB3 GLN 28 HB3 GLN 28 16.933 25.029 2.779 95 HG2 GLN 28 HG2 GLN 28 16.723 27.400 2.158 96 HG3 GLN 28 HG3 GLN 28 15.124 27.463 2.899 97 HE21 GLN 28 HE21 GLN 28 17.234 29.155 3.831 98 HE22 GLN 28 HE22 GLN 28 17.695 28.654 5.385 99 H THR 29 H THR 29 13.291 23.755 0.715 100 HA THR 29 HA THR 29 14.942 21.275 0.522 101 HB THR 29 HB THR 29 12.225 21.511 1.852 102 HG1 THR 29 HG1 THR 29 14.039 22.219 3.088 103 HG21 THR 29 HG21 THR 29 14.023 19.130 1.326 104 HG22 THR 29 HG22 THR 29 12.419 19.408 0.647 105 HG23 THR 29 HG23 THR 29 12.604 19.096 2.373 106 H VAL 30 H VAL 30 14.485 20.075 -1.287 107 HA VAL 30 HA VAL 30 12.025 20.802 -2.828 108 HB VAL 30 HB VAL 30 13.372 20.421 -4.901 109 HG11 VAL 30 HG21 VAL 30 13.258 22.690 -4.572 110 HG12 VAL 30 HG22 VAL 30 14.989 22.497 -4.296 111 HG13 VAL 30 HG23 VAL 30 13.883 22.587 -2.927 112 HG21 VAL 30 HG11 VAL 30 15.539 19.730 -4.841 113 HG22 VAL 30 HG12 VAL 30 15.146 19.189 -3.209 114 HG23 VAL 30 HG13 VAL 30 15.924 20.753 -3.458 115 H GLY 31 H GLY 31 11.153 19.044 -4.120 116 HA2 GLY 31 HA3 GLY 31 12.305 16.357 -3.683 117 HA3 GLY 31 HA2 GLY 31 10.686 16.633 -3.035 118 H VAL 32 H VAL 32 10.880 14.700 -4.931 119 HA VAL 32 HA VAL 32 9.648 16.011 -7.317 120 HB VAL 32 HB VAL 32 11.110 13.456 -7.749 121 HG11 VAL 32 HG11 VAL 32 11.827 15.117 -9.741 122 HG12 VAL 32 HG12 VAL 32 10.351 15.931 -9.223 123 HG13 VAL 32 HG13 VAL 32 10.293 14.248 -9.748 124 HG21 VAL 32 HG21 VAL 32 12.921 14.340 -6.614 125 HG22 VAL 32 HG22 VAL 32 12.415 16.008 -6.894 126 HG23 VAL 32 HG23 VAL 32 13.173 15.086 -8.193 127 H ILE 33 H ILE 33 8.251 14.412 -8.550 128 HA ILE 33 HA ILE 33 6.770 12.751 -6.584 129 HB ILE 33 HB ILE 33 6.043 13.637 -9.393 130 HG12 ILE 33 HG13 ILE 33 5.133 14.575 -6.656 131 HG13 ILE 33 HG12 ILE 33 6.095 15.500 -7.810 132 HG21 ILE 33 HG21 ILE 33 4.332 12.178 -9.295 133 HG22 ILE 33 HG22 ILE 33 3.837 12.815 -7.728 134 HG23 ILE 33 HG23 ILE 33 5.026 11.516 -7.816 135 HD11 ILE 33 HD11 ILE 33 3.943 14.754 -9.347 136 HD12 ILE 33 HD12 ILE 33 4.089 16.305 -8.519 137 HD13 ILE 33 HD13 ILE 33 3.193 14.985 -7.768 138 H VAL 34 H VAL 34 6.907 10.552 -6.649 139 HA VAL 34 HA VAL 34 7.970 9.305 -9.151 140 HB VAL 34 HB VAL 34 9.779 9.195 -7.595 141 HG11 VAL 34 HG11 VAL 34 7.900 8.040 -5.525 142 HG12 VAL 34 HG12 VAL 34 8.260 9.764 -5.620 143 HG13 VAL 34 HG13 VAL 34 9.552 8.610 -5.289 144 HG21 VAL 34 HG21 VAL 34 9.900 6.756 -7.072 145 HG22 VAL 34 HG22 VAL 34 9.368 7.071 -8.724 146 HG23 VAL 34 HG23 VAL 34 8.193 6.612 -7.492 147 H ARG 35 H ARG 35 5.910 8.991 -6.294 148 HA ARG 35 HA ARG 35 4.503 6.758 -7.705 149 HB2 ARG 35 HB2 ARG 35 5.051 7.110 -4.746 150 HB3 ARG 35 HB3 ARG 35 3.881 5.952 -5.381 151 HG2 ARG 35 HG2 ARG 35 5.724 4.973 -6.788 152 HG3 ARG 35 HG3 ARG 35 6.858 6.036 -5.955 153 HD2 ARG 35 HD2 ARG 35 6.024 5.032 -3.775 154 HD3 ARG 35 HD3 ARG 35 5.163 3.837 -4.745 155 HE ARG 35 HE ARG 35 7.792 3.479 -4.048 156 HH11 ARG 35 HH11 ARG 35 6.504 1.674 -6.031 157 HH12 ARG 35 HH12 ARG 35 7.486 1.900 -7.439 158 HH21 ARG 35 HH21 ARG 35 8.922 4.840 -6.286 159 HH22 ARG 35 HH22 ARG 35 8.856 3.694 -7.584 160 H LEU 36 H LEU 36 2.600 7.596 -8.418 161 HA LEU 36 HA LEU 36 1.278 9.719 -6.811 162 HB2 LEU 36 HB2 LEU 36 0.576 8.681 -9.573 163 HB3 LEU 36 HB3 LEU 36 -0.077 10.123 -8.796 164 HG LEU 36 HG LEU 36 2.452 10.819 -8.603 165 HD11 LEU 36 HD11 LEU 36 3.810 9.207 -9.449 166 HD12 LEU 36 HD12 LEU 36 3.315 9.829 -11.023 167 HD13 LEU 36 HD13 LEU 36 2.491 8.434 -10.329 168 HD21 LEU 36 HD21 LEU 36 2.218 12.082 -10.605 169 HD22 LEU 36 HD22 LEU 36 0.568 11.813 -10.043 170 HD23 LEU 36 HD23 LEU 36 1.219 10.841 -11.362 171 H GLU 37 H GLU 37 -0.540 9.277 -5.643 172 HA GLU 37 HA GLU 37 -1.868 6.638 -6.121 173 HB2 GLU 37 HB2 GLU 37 -1.541 8.127 -3.496 174 HB3 GLU 37 HB3 GLU 37 -2.388 6.595 -3.708 175 HG2 GLU 37 HG2 GLU 37 0.541 7.056 -4.356 176 HG3 GLU 37 HG3 GLU 37 -0.054 6.282 -2.887 177 H ARG 38 H ARG 38 -4.206 6.631 -5.594 178 HA ARG 38 HA ARG 38 -5.529 8.972 -6.658 179 HB2 ARG 38 HB2 ARG 38 -6.624 6.501 -5.283 180 HB3 ARG 38 HB3 ARG 38 -7.620 7.723 -6.074 181 HG2 ARG 38 HG2 ARG 38 -6.337 7.315 -8.191 182 HG3 ARG 38 HG3 ARG 38 -5.495 5.996 -7.379 183 HD2 ARG 38 HD2 ARG 38 -8.489 6.200 -7.824 184 HD3 ARG 38 HD3 ARG 38 -7.386 5.110 -8.664 185 HE ARG 38 HE ARG 38 -7.333 4.810 -5.756 186 HH11 ARG 38 HH11 ARG 38 -6.745 2.467 -7.316 187 HH12 ARG 38 HH12 ARG 38 -8.239 1.591 -7.360 188 HH21 ARG 38 HH21 ARG 38 -10.169 4.314 -6.418 189 HH22 ARG 38 HH22 ARG 38 -10.177 2.637 -6.852 190 H GLU 39 H GLU 39 -4.969 7.711 -3.406 191 HA GLU 39 HA GLU 39 -6.757 9.636 -2.139 192 HB2 GLU 39 HB2 GLU 39 -6.169 7.426 -1.119 193 HB3 GLU 39 HB3 GLU 39 -4.519 8.008 -0.898 194 HG2 GLU 39 HG2 GLU 39 -5.411 9.903 0.460 195 HG3 GLU 39 HG3 GLU 39 -7.029 9.219 0.302 196 H THR 40 H THR 40 -3.325 9.481 -2.936 197 HA THR 40 HA THR 40 -3.071 12.358 -2.626 198 HB THR 40 HB THR 40 -1.026 11.718 -0.924 199 HG1 THR 40 HG1 THR 40 -2.122 9.559 -0.896 200 HG21 THR 40 HG21 THR 40 -3.035 13.426 -0.859 201 HG22 THR 40 HG22 THR 40 -2.203 12.981 0.631 202 HG23 THR 40 HG23 THR 40 -3.747 12.230 0.224 203 H PHE 41 H PHE 41 -0.552 12.890 -2.810 204 HA PHE 41 HA PHE 41 0.535 11.022 -4.878 205 HB2 PHE 41 HB2 PHE 41 0.839 14.017 -4.535 206 HB3 PHE 41 HB3 PHE 41 1.798 13.071 -5.672 207 HD1 PHE 41 HD1 PHE 41 0.682 11.853 -7.545 208 HD2 PHE 41 HD2 PHE 41 -1.468 14.530 -4.964 209 HE1 PHE 41 HE1 PHE 41 -1.172 11.950 -9.190 210 HE2 PHE 41 HE2 PHE 41 -3.323 14.626 -6.608 211 HZ PHE 41 HZ PHE 41 -3.174 13.336 -8.721 212 H GLN 42 H GLN 42 2.679 10.345 -4.669 213 HA GLN 42 HA GLN 42 3.947 10.956 -2.046 214 HB2 GLN 42 HB2 GLN 42 4.469 8.760 -4.073 215 HB3 GLN 42 HB3 GLN 42 5.378 8.969 -2.576 216 HG2 GLN 42 HG3 GLN 42 3.244 8.769 -1.297 217 HG3 GLN 42 HG2 GLN 42 2.397 8.453 -2.811 218 HE21 GLN 42 HE21 GLN 42 2.172 6.402 -1.057 219 HE22 GLN 42 HE22 GLN 42 3.209 5.117 -1.448 220 H VAL 43 H VAL 43 5.777 12.187 -1.970 221 HA VAL 43 HA VAL 43 7.205 12.685 -4.553 222 HB VAL 43 HB VAL 43 6.771 14.663 -2.293 223 HG11 VAL 43 HG11 VAL 43 7.738 15.320 -5.061 224 HG12 VAL 43 HG12 VAL 43 8.881 14.707 -3.866 225 HG13 VAL 43 HG13 VAL 43 7.995 16.200 -3.556 226 HG21 VAL 43 HG21 VAL 43 5.186 13.947 -4.656 227 HG22 VAL 43 HG22 VAL 43 5.595 15.662 -4.592 228 HG23 VAL 43 HG23 VAL 43 4.732 14.911 -3.250 229 H LEU 44 H LEU 44 9.489 12.846 -4.402 230 HA LEU 44 HA LEU 44 10.620 11.574 -1.983 231 HB2 LEU 44 HB2 LEU 44 11.231 10.813 -4.314 232 HB3 LEU 44 HB3 LEU 44 12.039 12.364 -4.541 233 HG LEU 44 HG LEU 44 13.341 11.825 -2.399 234 HD11 LEU 44 HD11 LEU 44 12.599 8.974 -3.024 235 HD12 LEU 44 HD12 LEU 44 11.633 9.922 -1.892 236 HD13 LEU 44 HD13 LEU 44 13.340 9.626 -1.564 237 HD21 LEU 44 HD21 LEU 44 14.748 11.609 -4.191 238 HD22 LEU 44 HD22 LEU 44 13.616 10.596 -5.087 239 HD23 LEU 44 HD23 LEU 44 14.611 9.892 -3.813 240 H ASN 45 H ASN 45 11.417 12.860 -0.380 241 HA ASN 45 HA ASN 45 11.837 15.710 -0.857 242 HB2 ASN 45 HB2 ASN 45 12.327 15.847 1.515 243 HB3 ASN 45 HB3 ASN 45 10.925 14.800 1.295 244 HD21 ASN 45 HD21 ASN 45 12.391 14.496 3.648 245 HD22 ASN 45 HD22 ASN 45 13.273 13.046 3.601 246 H MET 46 H MET 46 13.786 16.789 -0.951 247 HA MET 46 HA MET 46 16.007 15.772 -2.192 248 HB2 MET 46 HB2 MET 46 15.871 18.130 -1.807 249 HB3 MET 46 HB3 MET 46 15.865 17.911 -0.058 250 HG2 MET 46 HG2 MET 46 18.163 16.986 -0.181 251 HG3 MET 46 HG3 MET 46 18.165 17.254 -1.925 252 HE1 MET 46 HE1 MET 46 17.018 19.732 1.270 253 HE2 MET 46 HE2 MET 46 18.733 20.035 1.532 254 HE3 MET 46 HE3 MET 46 18.136 18.378 1.485 255 H TYR 47 H TYR 47 15.170 15.282 1.177 256 HA TYR 47 HA TYR 47 17.764 14.443 2.080 257 HB2 TYR 47 HB2 TYR 47 15.004 13.674 3.078 258 HB3 TYR 47 HB3 TYR 47 16.511 13.353 3.934 259 HD1 TYR 47 HD1 TYR 47 17.384 16.244 2.444 260 HD2 TYR 47 HD2 TYR 47 14.547 14.883 5.370 261 HE1 TYR 47 HE1 TYR 47 17.308 18.518 3.428 262 HE2 TYR 47 HE2 TYR 47 14.472 17.157 6.352 263 HH TYR 47 HH TYR 47 15.071 19.700 5.146 264 H GLY 48 H GLY 48 15.731 13.044 -0.197 265 HA2 GLY 48 HA2 GLY 48 16.180 11.034 -1.397 266 HA3 GLY 48 HA3 GLY 48 17.290 10.548 -0.115 267 H LYS 49 H LYS 49 13.961 11.650 0.347 268 HA LYS 49 HA LYS 49 13.200 8.856 1.088 269 HB2 LYS 49 HB2 LYS 49 12.483 11.312 2.714 270 HB3 LYS 49 HB3 LYS 49 12.128 9.632 3.117 271 HG2 LYS 49 HG2 LYS 49 14.953 10.635 2.717 272 HG3 LYS 49 HG3 LYS 49 14.155 10.670 4.290 273 HD2 LYS 49 HD2 LYS 49 13.690 8.190 3.981 274 HD3 LYS 49 HD3 LYS 49 14.763 8.244 2.583 275 HE2 LYS 49 HE2 LYS 49 16.048 9.560 4.789 276 HE3 LYS 49 HE3 LYS 49 15.486 7.976 5.320 277 HZ1 LYS 49 HZ1 LYS 49 16.520 7.092 3.223 278 HZ2 LYS 49 HZ2 LYS 49 17.609 7.647 4.403 279 HZ3 LYS 49 HZ3 LYS 49 17.268 8.603 3.041 280 H VAL 50 H VAL 50 10.947 8.403 0.833 281 HA VAL 50 HA VAL 50 9.549 10.369 -0.925 282 HB VAL 50 HB VAL 50 8.969 7.418 -0.523 283 HG11 VAL 50 HG11 VAL 50 8.130 9.100 -2.868 284 HG12 VAL 50 HG12 VAL 50 7.187 9.151 -1.380 285 HG13 VAL 50 HG13 VAL 50 7.396 7.625 -2.239 286 HG21 VAL 50 HG21 VAL 50 11.225 7.997 -1.561 287 HG22 VAL 50 HG22 VAL 50 10.326 8.739 -2.884 288 HG23 VAL 50 HG23 VAL 50 10.158 7.013 -2.563 289 H VAL 51 H VAL 51 7.710 11.339 -0.178 290 HA VAL 51 HA VAL 51 6.360 10.130 2.197 291 HB VAL 51 HB VAL 51 6.067 12.362 3.156 292 HG11 VAL 51 HG11 VAL 51 8.856 11.496 2.415 293 HG12 VAL 51 HG12 VAL 51 8.036 11.362 3.972 294 HG13 VAL 51 HG13 VAL 51 8.596 12.934 3.401 295 HG21 VAL 51 HG21 VAL 51 7.872 13.939 1.670 296 HG22 VAL 51 HG22 VAL 51 6.122 14.132 1.763 297 HG23 VAL 51 HG23 VAL 51 6.834 13.154 0.481 298 H THR 52 H THR 52 4.076 10.818 2.393 299 HA THR 52 HA THR 52 2.872 11.168 -0.291 300 HB THR 52 HB THR 52 1.512 10.617 2.363 301 HG1 THR 52 HG1 THR 52 2.292 8.702 2.118 302 HG21 THR 52 HG21 THR 52 0.624 10.464 -0.525 303 HG22 THR 52 HG22 THR 52 -0.049 11.477 0.752 304 HG23 THR 52 HG23 THR 52 -0.274 9.729 0.802 305 H VAL 53 H VAL 53 1.687 12.981 -0.864 306 HA VAL 53 HA VAL 53 1.319 15.082 1.228 307 HB VAL 53 HB VAL 53 1.999 16.797 -0.388 308 HG11 VAL 53 HG11 VAL 53 4.368 16.326 -0.415 309 HG12 VAL 53 HG12 VAL 53 4.074 14.588 -0.320 310 HG13 VAL 53 HG13 VAL 53 3.707 15.622 1.061 311 HG21 VAL 53 HG21 VAL 53 2.623 14.462 -2.222 312 HG22 VAL 53 HG22 VAL 53 2.905 16.167 -2.574 313 HG23 VAL 53 HG23 VAL 53 1.256 15.560 -2.417 314 H ARG 54 H ARG 54 -0.459 16.555 0.762 315 HA ARG 54 HA ARG 54 -2.716 15.231 -0.475 316 HB2 ARG 54 HB2 ARG 54 -2.419 18.116 0.420 317 HB3 ARG 54 HB3 ARG 54 -3.940 17.297 0.064 318 HG2 ARG 54 HG2 ARG 54 -1.980 16.363 2.179 319 HG3 ARG 54 HG3 ARG 54 -3.376 17.385 2.520 320 HD2 ARG 54 HD2 ARG 54 -4.840 15.625 1.494 321 HD3 ARG 54 HD3 ARG 54 -3.420 14.593 1.341 322 HE ARG 54 HE ARG 54 -4.796 15.280 3.857 323 HH11 ARG 54 HH11 ARG 54 -4.401 13.559 5.337 324 HH12 ARG 54 HH12 ARG 54 -2.832 12.826 5.340 325 HH21 ARG 54 HH21 ARG 54 -1.747 14.516 2.512 326 HH22 ARG 54 HH22 ARG 54 -1.329 13.367 3.740 327 H HIS 55 H HIS 55 -3.736 15.733 -2.447 328 HA HIS 55 HA HIS 55 -2.166 16.432 -4.658 329 HB2 HIS 55 HB2 HIS 55 -4.256 16.754 -5.878 330 HB3 HIS 55 HB3 HIS 55 -4.434 15.387 -4.779 331 HD1 HIS 55 HD1 HIS 55 -5.731 15.893 -2.488 332 HD2 HIS 55 HD2 HIS 55 -6.028 18.861 -5.400 333 HE1 HIS 55 HE1 HIS 55 -7.655 17.388 -1.795 334 H GLN 56 H GLN 56 -4.155 18.550 -2.605 335 HA GLN 56 HA GLN 56 -3.369 20.920 -4.164 336 HB2 GLN 56 HB2 GLN 56 -5.643 20.618 -3.053 337 HB3 GLN 56 HB3 GLN 56 -4.823 20.855 -1.510 338 HG2 GLN 56 HG2 GLN 56 -3.993 23.049 -2.296 339 HG3 GLN 56 HG3 GLN 56 -4.831 22.812 -3.829 340 HE21 GLN 56 HE21 GLN 56 -5.516 25.032 -2.215 341 HE22 GLN 56 HE22 GLN 56 -7.059 24.794 -1.551 342 H ALA 57 H ALA 57 -1.634 19.071 -2.206 343 HA ALA 57 HA ALA 57 -0.404 21.353 -0.719 344 HB1 ALA 57 HB1 ALA 57 0.594 19.626 0.742 345 HB2 ALA 57 HB2 ALA 57 -0.176 18.368 -0.225 346 HB3 ALA 57 HB3 ALA 57 -1.165 19.491 0.709 347 H VAL 58 H VAL 58 0.043 20.669 -3.578 348 HA VAL 58 HA VAL 58 2.928 19.897 -3.428 349 HB VAL 58 HB VAL 58 2.311 19.763 -6.095 350 HG11 VAL 58 HG11 VAL 58 1.869 17.503 -4.129 351 HG12 VAL 58 HG12 VAL 58 3.468 18.096 -4.585 352 HG13 VAL 58 HG13 VAL 58 2.413 17.376 -5.803 353 HG21 VAL 58 HG21 VAL 58 -0.111 20.205 -5.459 354 HG22 VAL 58 HG22 VAL 58 -0.097 18.643 -4.642 355 HG23 VAL 58 HG23 VAL 58 0.165 18.730 -6.384 356 H THR 59 H THR 59 4.375 21.083 -4.910 357 HA THR 59 HA THR 59 3.333 23.752 -5.735 358 HB THR 59 HB THR 59 5.145 24.909 -4.693 359 HG1 THR 59 HG1 THR 59 6.644 23.430 -3.435 360 HG21 THR 59 HG21 THR 59 3.266 23.558 -3.227 361 HG22 THR 59 HG22 THR 59 4.389 24.742 -2.560 362 HG23 THR 59 HG23 THR 59 4.762 23.021 -2.464 363 H ARG 60 H ARG 60 4.600 24.731 -7.448 364 HA ARG 60 HA ARG 60 6.413 22.790 -8.828 365 HB2 ARG 60 HB2 ARG 60 4.474 24.770 -10.064 366 HB3 ARG 60 HB3 ARG 60 5.593 23.746 -10.966 367 HG2 ARG 60 HG2 ARG 60 4.512 21.737 -9.964 368 HG3 ARG 60 HG3 ARG 60 3.353 22.792 -9.155 369 HD2 ARG 60 HD2 ARG 60 2.720 23.696 -11.425 370 HD3 ARG 60 HD3 ARG 60 3.737 22.447 -12.142 371 HE ARG 60 HE ARG 60 2.212 20.764 -11.126 372 HH11 ARG 60 HH11 ARG 60 0.454 22.021 -13.047 373 HH12 ARG 60 HH12 ARG 60 -0.884 22.575 -12.097 374 HH21 ARG 60 HH21 ARG 60 0.822 22.361 -9.086 375 HH22 ARG 60 HH22 ARG 60 -0.675 22.768 -9.855 376 H LYS 61 H LYS 61 8.341 23.632 -9.622 377 HA LYS 61 HA LYS 61 9.167 26.225 -8.568 378 HB2 LYS 61 HB2 LYS 61 10.690 24.229 -8.727 379 HB3 LYS 61 HB3 LYS 61 10.654 24.405 -10.481 380 HG2 LYS 61 HG2 LYS 61 11.522 26.724 -10.241 381 HG3 LYS 61 HG3 LYS 61 11.619 26.486 -8.496 382 HD2 LYS 61 HD2 LYS 61 13.144 24.540 -8.900 383 HD3 LYS 61 HD3 LYS 61 13.123 24.929 -10.620 384 HE2 LYS 61 HE2 LYS 61 13.703 27.273 -8.981 385 HE3 LYS 61 HE3 LYS 61 14.875 25.981 -8.719 386 HZ1 LYS 61 HZ1 LYS 61 15.304 27.597 -10.618 387 HZ2 LYS 61 HZ2 LYS 61 14.053 26.791 -11.439 388 HZ3 LYS 61 HZ3 LYS 61 15.445 25.942 -10.960 389 H LYS 62 H LYS 62 8.623 28.079 -9.605 390 HA LYS 62 HA LYS 62 8.327 27.993 -12.575 391 HB2 LYS 62 HB2 LYS 62 6.357 28.735 -11.163 392 HB3 LYS 62 HB3 LYS 62 7.320 30.132 -10.682 393 HG2 LYS 62 HG2 LYS 62 7.573 30.759 -13.069 394 HG3 LYS 62 HG3 LYS 62 6.564 29.385 -13.524 395 HD2 LYS 62 HD3 LYS 62 4.717 30.325 -12.143 396 HD3 LYS 62 HD2 LYS 62 5.725 31.727 -11.788 397 HE2 LYS 62 HE2 LYS 62 5.756 32.399 -14.087 398 HE3 LYS 62 HE3 LYS 62 5.067 30.863 -14.613 399 HZ1 LYS 62 HZ1 LYS 62 3.758 33.109 -13.235 400 HZ2 LYS 62 HZ2 LYS 62 3.134 31.538 -13.067 401 HZ3 LYS 62 HZ3 LYS 62 3.248 32.250 -14.605 402 H ASP 63 H ASP 63 10.501 28.897 -10.211 403 HA ASP 63 HA ASP 63 11.412 31.453 -10.945 404 HB2 ASP 63 HB2 ASP 63 12.998 29.021 -10.072 405 HB3 ASP 63 HB3 ASP 63 13.669 30.649 -10.175 406 H ASN 64 H ASN 64 12.161 28.304 -12.430 407 HA ASN 64 HA ASN 64 12.555 29.465 -15.026 408 HB2 ASN 64 HB2 ASN 64 14.779 29.724 -13.316 409 HB3 ASN 64 HB3 ASN 64 15.168 28.386 -14.396 410 HD21 ASN 64 HD21 ASN 64 15.951 28.982 -16.429 411 HD22 ASN 64 HD22 ASN 64 15.802 30.530 -17.108 412 H ARG 65 H ARG 65 11.518 27.767 -15.998 413 HA ARG 65 HA ARG 65 11.600 25.057 -15.164 414 HB2 ARG 65 HB2 ARG 65 9.927 26.002 -16.755 415 HB3 ARG 65 HB3 ARG 65 11.188 26.099 -17.984 416 HG2 ARG 65 HG3 ARG 65 11.532 23.651 -17.805 417 HG3 ARG 65 HG2 ARG 65 10.240 23.567 -16.607 418 HD2 ARG 65 HD2 ARG 65 8.676 24.545 -18.301 419 HD3 ARG 65 HD3 ARG 65 9.974 24.461 -19.493 420 HE ARG 65 HE ARG 65 9.619 21.882 -18.298 421 HH11 ARG 65 HH11 ARG 65 6.792 22.953 -18.911 422 HH12 ARG 65 HH12 ARG 65 6.538 22.287 -20.489 423 HH21 ARG 65 HH21 ARG 65 9.884 21.526 -20.996 424 HH22 ARG 65 HH22 ARG 65 8.288 21.478 -21.669 425 H PHE 66 H PHE 66 13.622 26.809 -17.513 426 HA PHE 66 HA PHE 66 15.083 24.628 -18.546 427 HB2 PHE 66 HB2 PHE 66 16.021 27.447 -17.936 428 HB3 PHE 66 HB3 PHE 66 16.917 26.289 -18.918 429 HD1 PHE 66 HD1 PHE 66 14.059 28.560 -18.780 430 HD2 PHE 66 HD2 PHE 66 15.983 25.482 -21.077 431 HE1 PHE 66 HE1 PHE 66 12.702 29.189 -20.759 432 HE2 PHE 66 HE2 PHE 66 14.625 26.111 -23.056 433 HZ PHE 66 HZ PHE 66 12.986 27.964 -22.897 434 H ALA 67 H ALA 67 15.876 26.649 -15.697 435 HA ALA 67 HA ALA 67 17.346 26.217 -13.913 436 HB1 ALA 67 HB1 ALA 67 15.954 23.613 -14.458 437 HB2 ALA 67 HB2 ALA 67 15.814 24.679 -13.060 438 HB3 ALA 67 HB3 ALA 67 17.244 23.666 -13.257 439 H VAL 68 H VAL 68 19.338 26.677 -14.968 440 HA VAL 68 HA VAL 68 20.840 24.241 -15.836 441 HB VAL 68 HB VAL 68 22.028 25.630 -17.477 442 HG11 VAL 68 HG11 VAL 68 20.394 25.219 -18.977 443 HG12 VAL 68 HG12 VAL 68 19.350 26.449 -18.265 444 HG13 VAL 68 HG13 VAL 68 19.351 24.810 -17.614 445 HG21 VAL 68 HG21 VAL 68 20.102 27.860 -16.813 446 HG22 VAL 68 HG22 VAL 68 21.566 27.938 -17.792 447 HG23 VAL 68 HG23 VAL 68 21.684 27.745 -16.042 448 H ALA 69 H ALA 69 23.133 24.298 -15.338 449 HA ALA 69 HA ALA 69 24.112 26.498 -13.636 450 HB1 ALA 69 HB1 ALA 69 24.847 24.651 -11.928 451 HB2 ALA 69 HB2 ALA 69 23.518 23.727 -12.628 452 HB3 ALA 69 HB3 ALA 69 23.201 25.280 -11.855 453 H LEU 70 H LEU 70 26.425 26.459 -13.435 454 HA LEU 70 HA LEU 70 27.727 24.687 -15.449 455 HB2 LEU 70 HB2 LEU 70 28.671 27.276 -14.180 456 HB3 LEU 70 HB3 LEU 70 29.580 26.345 -15.370 457 HG LEU 70 HG LEU 70 26.827 26.863 -16.216 458 HD11 LEU 70 HD21 LEU 70 26.963 29.228 -16.502 459 HD12 LEU 70 HD22 LEU 70 28.662 29.259 -16.030 460 HD13 LEU 70 HD23 LEU 70 27.418 28.931 -14.823 461 HD21 LEU 70 HD11 LEU 70 29.619 27.095 -17.298 462 HD22 LEU 70 HD12 LEU 70 28.291 27.873 -18.159 463 HD23 LEU 70 HD13 LEU 70 28.271 26.129 -17.897 464 H ASP 71 H ASP 71 29.453 23.364 -14.850 465 HA ASP 71 HA ASP 71 29.653 22.722 -12.006 466 HB2 ASP 71 HB3 ASP 71 29.832 21.134 -14.100 467 HB3 ASP 71 HB2 ASP 71 31.527 21.625 -14.082 468 H SER 72 H SER 72 31.471 23.056 -10.682 469 HA SER 72 HA SER 72 32.924 25.415 -10.875 470 HB2 SER 72 HB2 SER 72 34.439 24.510 -9.228 471 HB3 SER 72 HB3 SER 72 32.835 23.860 -8.886 472 HG SER 72 HG SER 72 35.091 22.602 -9.958 473 H GLU 73 H GLU 73 33.472 22.444 -12.608 474 HA GLU 73 HA GLU 73 36.186 23.244 -13.435 475 HB2 GLU 73 HB2 GLU 73 34.465 20.945 -14.410 476 HB3 GLU 73 HB3 GLU 73 36.192 21.153 -14.698 477 HG2 GLU 73 HG2 GLU 73 36.634 20.998 -12.289 478 HG3 GLU 73 HG3 GLU 73 34.906 20.857 -11.965 479 H GLN 74 H GLN 74 33.743 24.881 -14.136 480 HA GLN 74 HA GLN 74 32.987 26.096 -15.992 481 HB2 GLN 74 HB2 GLN 74 35.479 24.935 -17.275 482 HB3 GLN 74 HB3 GLN 74 34.544 26.299 -17.888 483 HG2 GLN 74 HG3 GLN 74 35.033 27.574 -15.847 484 HG3 GLN 74 HG2 GLN 74 35.923 26.202 -15.187 485 HE21 GLN 74 HE21 GLN 74 37.238 28.696 -15.575 486 HE22 GLN 74 HE22 GLN 74 38.381 28.516 -16.817 487 H ASN 75 H ASN 75 31.825 23.561 -15.604 488 HA ASN 75 HA ASN 75 31.606 22.508 -18.396 489 HB2 ASN 75 HB2 ASN 75 30.792 21.179 -15.792 490 HB3 ASN 75 HB3 ASN 75 30.734 20.449 -17.396 491 HD21 ASN 75 HD21 ASN 75 32.288 19.114 -15.551 492 HD22 ASN 75 HD22 ASN 75 33.937 19.349 -15.877 493 H ASN 76 H ASN 76 29.444 22.046 -19.191 494 HA ASN 76 HA ASN 76 27.430 23.910 -18.048 495 HB2 ASN 76 HB2 ASN 76 27.469 22.421 -20.693 496 HB3 ASN 76 HB3 ASN 76 26.255 23.602 -20.201 497 HD21 ASN 76 HD21 ASN 76 28.420 23.651 -22.411 498 HD22 ASN 76 HD22 ASN 76 29.175 25.153 -22.175 499 H ILE 77 H ILE 77 25.789 23.091 -16.842 500 HA ILE 77 HA ILE 77 25.181 20.175 -17.128 501 HB ILE 77 HB ILE 77 24.789 21.933 -14.687 502 HG12 ILE 77 HG12 ILE 77 26.870 19.788 -15.203 503 HG13 ILE 77 HG13 ILE 77 27.190 21.521 -15.281 504 HG21 ILE 77 HG21 ILE 77 23.759 20.158 -13.717 505 HG22 ILE 77 HG22 ILE 77 24.895 19.005 -14.421 506 HG23 ILE 77 HG23 ILE 77 23.523 19.581 -15.367 507 HD11 ILE 77 HD11 ILE 77 25.866 21.125 -12.831 508 HD12 ILE 77 HD12 ILE 77 27.581 21.467 -13.061 509 HD13 ILE 77 HD13 ILE 77 27.021 19.798 -12.952 510 H HIS 78 H HIS 78 23.065 19.626 -17.552 511 HA HIS 78 HA HIS 78 21.053 21.839 -17.485 512 HB2 HIS 78 HB2 HIS 78 21.239 19.623 -19.549 513 HB3 HIS 78 HB3 HIS 78 20.059 20.933 -19.527 514 HD1 HIS 78 HD1 HIS 78 21.197 23.438 -19.624 515 HD2 HIS 78 HD2 HIS 78 23.542 20.255 -20.945 516 HE1 HIS 78 HE1 HIS 78 23.062 24.448 -21.010 517 H VAL 79 H VAL 79 18.783 20.987 -17.339 518 HA VAL 79 HA VAL 79 18.474 19.179 -15.172 519 HB VAL 79 HB VAL 79 16.480 20.004 -17.305 520 HG11 VAL 79 HG11 VAL 79 14.957 19.435 -15.180 521 HG12 VAL 79 HG12 VAL 79 16.283 18.321 -14.846 522 HG13 VAL 79 HG13 VAL 79 15.390 18.200 -16.363 523 HG21 VAL 79 HG21 VAL 79 16.745 21.012 -14.466 524 HG22 VAL 79 HG22 VAL 79 15.818 21.720 -15.790 525 HG23 VAL 79 HG23 VAL 79 17.581 21.780 -15.816 526 H LYS 80 H LYS 80 18.768 18.626 -18.599 527 HA LYS 80 HA LYS 80 18.213 15.724 -18.126 528 HB2 LYS 80 HB2 LYS 80 17.873 17.423 -20.610 529 HB3 LYS 80 HB3 LYS 80 17.821 15.660 -20.636 530 HG2 LYS 80 HG2 LYS 80 16.013 15.791 -18.862 531 HG3 LYS 80 HG3 LYS 80 15.973 17.533 -19.135 532 HD2 LYS 80 HD3 LYS 80 15.578 17.033 -21.591 533 HD3 LYS 80 HD2 LYS 80 15.367 15.343 -21.137 534 HE2 LYS 80 HE2 LYS 80 13.399 15.771 -19.952 535 HE3 LYS 80 HE3 LYS 80 13.803 17.469 -19.700 536 HZ1 LYS 80 HZ1 LYS 80 13.696 17.108 -22.432 537 HZ2 LYS 80 HZ2 LYS 80 12.564 17.923 -21.460 538 HZ3 LYS 80 HZ3 LYS 80 12.351 16.276 -21.821 539 H ASP 81 H ASP 81 20.373 15.201 -17.550 540 HA ASP 81 HA ASP 81 22.172 14.801 -19.798 541 HB2 ASP 81 HB2 ASP 81 22.469 17.270 -19.093 542 HB3 ASP 81 HB3 ASP 81 23.231 16.625 -17.639 543 H ILE 82 H ILE 82 24.368 13.920 -18.883 544 HA ILE 82 HA ILE 82 23.704 12.216 -16.519 545 HB ILE 82 HB ILE 82 25.728 11.707 -18.720 546 HG12 ILE 82 HG12 ILE 82 23.030 10.400 -18.273 547 HG13 ILE 82 HG13 ILE 82 23.314 11.681 -19.452 548 HG21 ILE 82 HG21 ILE 82 24.615 9.858 -16.589 549 HG22 ILE 82 HG22 ILE 82 26.183 10.659 -16.484 550 HG23 ILE 82 HG23 ILE 82 25.879 9.480 -17.760 551 HD11 ILE 82 HD11 ILE 82 24.434 8.880 -19.413 552 HD12 ILE 82 HD12 ILE 82 25.225 10.162 -20.330 553 HD13 ILE 82 HD13 ILE 82 23.567 9.699 -20.712 554 H VAL 83 H VAL 83 25.054 12.291 -14.752 555 HA VAL 83 HA VAL 83 27.689 13.637 -15.026 556 HB VAL 83 HB VAL 83 27.247 15.062 -13.075 557 HG11 VAL 83 HG21 VAL 83 25.172 15.240 -15.279 558 HG12 VAL 83 HG22 VAL 83 26.745 16.036 -15.238 559 HG13 VAL 83 HG23 VAL 83 25.479 16.524 -14.111 560 HG21 VAL 83 HG11 VAL 83 24.394 14.848 -12.931 561 HG22 VAL 83 HG12 VAL 83 25.576 14.557 -11.655 562 HG23 VAL 83 HG13 VAL 83 25.082 13.239 -12.717 563 H LYS 84 H LYS 84 29.187 12.997 -13.379 564 HA LYS 84 HA LYS 84 28.480 10.424 -12.115 565 HB2 LYS 84 HB2 LYS 84 30.675 10.861 -13.354 566 HB3 LYS 84 HB3 LYS 84 31.142 11.850 -11.971 567 HG2 LYS 84 HG2 LYS 84 30.795 9.918 -10.473 568 HG3 LYS 84 HG3 LYS 84 30.332 8.928 -11.857 569 HD2 LYS 84 HD2 LYS 84 32.572 9.359 -12.868 570 HD3 LYS 84 HD3 LYS 84 33.027 10.251 -11.415 571 HE2 LYS 84 HE2 LYS 84 33.426 8.346 -10.264 572 HE3 LYS 84 HE3 LYS 84 31.900 7.631 -10.785 573 HZ1 LYS 84 HZ1 LYS 84 33.481 6.280 -11.760 574 HZ2 LYS 84 HZ2 LYS 84 34.526 7.568 -12.125 575 HZ3 LYS 84 HZ3 LYS 84 33.097 7.349 -13.019 576 H VAL 85 H VAL 85 28.258 10.135 -9.913 577 HA VAL 85 HA VAL 85 28.154 12.604 -8.271 578 HB VAL 85 HB VAL 85 27.364 9.805 -7.433 579 HG11 VAL 85 HG21 VAL 85 26.817 12.610 -6.472 580 HG12 VAL 85 HG22 VAL 85 27.415 11.228 -5.554 581 HG13 VAL 85 HG23 VAL 85 25.727 11.284 -6.063 582 HG21 VAL 85 HG11 VAL 85 26.068 10.148 -9.385 583 HG22 VAL 85 HG12 VAL 85 25.862 11.867 -9.046 584 HG23 VAL 85 HG13 VAL 85 25.016 10.668 -8.068 585 H ILE 86 H ILE 86 29.732 13.061 -6.806 586 HA ILE 86 HA ILE 86 31.579 10.849 -6.008 587 HB ILE 86 HB ILE 86 32.375 13.737 -6.463 588 HG12 ILE 86 HG12 ILE 86 31.743 12.742 -8.599 589 HG13 ILE 86 HG13 ILE 86 33.501 12.844 -8.511 590 HG21 ILE 86 HG21 ILE 86 33.672 11.328 -5.385 591 HG22 ILE 86 HG22 ILE 86 34.131 13.022 -5.215 592 HG23 ILE 86 HG23 ILE 86 34.603 12.121 -6.656 593 HD11 ILE 86 HD11 ILE 86 31.780 10.481 -8.678 594 HD12 ILE 86 HD12 ILE 86 32.948 10.378 -7.360 595 HD13 ILE 86 HD13 ILE 86 33.504 10.638 -9.013 596 H ASP 87 H ASP 87 29.167 12.393 -4.768 597 HA ASP 87 HA ASP 87 30.517 12.802 -2.144 598 HB2 ASP 87 HB2 ASP 87 30.136 15.025 -3.200 599 HB3 ASP 87 HB3 ASP 87 28.412 14.664 -3.290 600 H GLY 88 H GLY 88 29.148 12.354 -0.330 601 HA2 GLY 88 HA2 GLY 88 27.277 11.433 0.780 602 HA3 GLY 88 HA3 GLY 88 26.371 11.560 -0.728 603 HA PRO 89 HA PRO 89 27.256 7.033 -0.016 604 HB2 PRO 89 HB2 PRO 89 24.801 6.199 -0.777 605 HB3 PRO 89 HB3 PRO 89 25.174 6.703 0.874 606 HG2 PRO 89 HG2 PRO 89 23.849 8.244 -1.327 607 HG3 PRO 89 HG3 PRO 89 23.412 8.149 0.383 608 HD2 PRO 89 HD3 PRO 89 24.772 10.252 -0.634 609 HD3 PRO 89 HD2 PRO 89 25.030 9.679 1.014 610 H HIS 90 H HIS 90 26.031 8.937 -2.673 611 HA HIS 90 HA HIS 90 26.427 6.760 -4.625 612 HB2 HIS 90 HB2 HIS 90 25.731 9.684 -5.050 613 HB3 HIS 90 HB3 HIS 90 25.686 8.423 -6.282 614 HD1 HIS 90 HD1 HIS 90 24.087 6.257 -5.468 615 HD2 HIS 90 HD2 HIS 90 23.275 10.009 -3.844 616 HE1 HIS 90 HE1 HIS 90 21.723 6.149 -4.563 617 H SER 91 H SER 91 28.224 9.252 -3.153 618 HA SER 91 HA SER 91 30.004 10.245 -4.985 619 HB2 SER 91 HB3 SER 91 30.203 10.712 -2.602 620 HB3 SER 91 HB2 SER 91 30.664 9.042 -2.283 621 HG SER 91 HG SER 91 32.594 9.377 -3.138 622 H GLY 92 H GLY 92 31.000 9.221 -6.652 623 HA2 GLY 92 HA2 GLY 92 32.825 7.740 -7.353 624 HA3 GLY 92 HA3 GLY 92 32.341 6.619 -6.081 625 H ARG 93 H ARG 93 29.537 7.772 -7.428 626 HA ARG 93 HA ARG 93 29.449 5.495 -9.374 627 HB2 ARG 93 HB2 ARG 93 27.211 6.592 -7.646 628 HB3 ARG 93 HB3 ARG 93 27.047 5.289 -8.824 629 HG2 ARG 93 HG3 ARG 93 28.690 3.943 -7.573 630 HG3 ARG 93 HG2 ARG 93 28.876 5.250 -6.403 631 HD2 ARG 93 HD2 ARG 93 27.321 3.711 -5.430 632 HD3 ARG 93 HD3 ARG 93 26.360 5.073 -6.006 633 HE ARG 93 HE ARG 93 26.433 3.216 -8.118 634 HH11 ARG 93 HH11 ARG 93 25.714 2.993 -4.772 635 HH12 ARG 93 HH12 ARG 93 24.283 2.045 -4.997 636 HH21 ARG 93 HH21 ARG 93 24.435 2.158 -8.460 637 HH22 ARG 93 HH22 ARG 93 23.559 1.572 -7.087 638 H GLU 94 H GLU 94 27.869 5.824 -11.163 639 HA GLU 94 HA GLU 94 27.815 8.696 -11.972 640 HB2 GLU 94 HB2 GLU 94 29.023 7.085 -13.464 641 HB3 GLU 94 HB3 GLU 94 27.503 6.226 -13.704 642 HG2 GLU 94 HG2 GLU 94 26.490 8.329 -14.579 643 HG3 GLU 94 HG3 GLU 94 28.057 9.123 -14.414 644 H GLY 95 H GLY 95 25.847 9.679 -12.326 645 HA2 GLY 95 HA2 GLY 95 23.424 7.930 -12.324 646 HA3 GLY 95 HA3 GLY 95 23.496 9.368 -11.307 647 H GLU 96 H GLU 96 21.440 9.448 -12.955 648 HA GLU 96 HA GLU 96 22.324 11.013 -15.346 649 HB2 GLU 96 HB3 GLU 96 19.750 9.499 -14.810 650 HB3 GLU 96 HB2 GLU 96 20.023 10.518 -16.224 651 HG2 GLU 96 HG2 GLU 96 22.063 9.110 -16.728 652 HG3 GLU 96 HG3 GLU 96 21.547 8.018 -15.443 653 H ILE 97 H ILE 97 21.429 13.071 -15.662 654 HA ILE 97 HA ILE 97 20.261 14.307 -13.249 655 HB ILE 97 HB ILE 97 21.291 15.430 -15.864 656 HG12 ILE 97 HG13 ILE 97 22.207 15.675 -12.983 657 HG13 ILE 97 HG12 ILE 97 22.997 14.726 -14.244 658 HG21 ILE 97 HG21 ILE 97 19.417 16.575 -13.957 659 HG22 ILE 97 HG22 ILE 97 19.958 17.215 -15.508 660 HG23 ILE 97 HG23 ILE 97 20.897 17.530 -14.051 661 HD11 ILE 97 HD11 ILE 97 22.486 17.606 -14.827 662 HD12 ILE 97 HD12 ILE 97 23.846 16.588 -15.301 663 HD13 ILE 97 HD13 ILE 97 23.758 17.236 -13.663 664 H ARG 98 H ARG 98 18.084 14.037 -13.085 665 HA ARG 98 HA ARG 98 16.423 14.128 -15.551 666 HB2 ARG 98 HB2 ARG 98 16.122 12.288 -13.835 667 HB3 ARG 98 HB3 ARG 98 15.546 13.519 -12.713 668 HG2 ARG 98 HG2 ARG 98 13.706 14.084 -14.177 669 HG3 ARG 98 HG3 ARG 98 14.339 13.040 -15.451 670 HD2 ARG 98 HD3 ARG 98 13.950 11.062 -14.107 671 HD3 ARG 98 HD2 ARG 98 13.508 12.045 -12.711 672 HE ARG 98 HE ARG 98 11.338 11.940 -13.613 673 HH11 ARG 98 HH11 ARG 98 10.102 13.143 -15.238 674 HH12 ARG 98 HH12 ARG 98 10.531 12.861 -16.892 675 HH21 ARG 98 HH21 ARG 98 13.460 11.172 -16.121 676 HH22 ARG 98 HH22 ARG 98 12.433 11.745 -17.392 677 H HIS 99 H HIS 99 16.389 15.518 -12.248 678 HA HIS 99 HA HIS 99 15.127 17.962 -13.430 679 HB2 HIS 99 HB2 HIS 99 14.784 17.315 -10.529 680 HB3 HIS 99 HB3 HIS 99 13.694 18.163 -11.623 681 HD1 HIS 99 HD1 HIS 99 12.068 16.749 -13.035 682 HD2 HIS 99 HD2 HIS 99 14.607 14.454 -10.655 683 HE1 HIS 99 HE1 HIS 99 11.167 14.383 -13.100 684 H LEU 100 H LEU 100 16.222 19.862 -13.023 685 HA LEU 100 HA LEU 100 18.582 19.651 -11.203 686 HB2 LEU 100 HB2 LEU 100 18.987 20.143 -13.656 687 HB3 LEU 100 HB3 LEU 100 18.152 21.676 -13.415 688 HG LEU 100 HG LEU 100 20.019 21.475 -11.307 689 HD11 LEU 100 HD21 LEU 100 21.993 20.686 -12.152 690 HD12 LEU 100 HD22 LEU 100 21.634 21.249 -13.784 691 HD13 LEU 100 HD23 LEU 100 20.924 19.747 -13.195 692 HD21 LEU 100 HD11 LEU 100 19.328 23.551 -12.381 693 HD22 LEU 100 HD12 LEU 100 20.047 23.037 -13.907 694 HD23 LEU 100 HD13 LEU 100 21.080 23.390 -12.521 695 H PHE 101 H PHE 101 18.713 21.015 -9.479 696 HA PHE 101 HA PHE 101 16.609 23.130 -9.246 697 HB2 PHE 101 HB3 PHE 101 16.449 21.219 -7.607 698 HB3 PHE 101 HB2 PHE 101 18.032 21.691 -6.986 699 HD1 PHE 101 HD1 PHE 101 18.327 23.729 -5.693 700 HD2 PHE 101 HD2 PHE 101 14.491 22.682 -7.318 701 HE1 PHE 101 HE1 PHE 101 17.253 25.452 -4.268 702 HE2 PHE 101 HE2 PHE 101 13.418 24.405 -5.893 703 HZ PHE 101 HZ PHE 101 14.799 25.790 -4.368 704 H ARG 102 H ARG 102 17.341 25.036 -7.902 705 HA ARG 102 HA ARG 102 19.516 26.375 -8.917 706 HB2 ARG 102 HB2 ARG 102 17.828 27.305 -7.292 707 HB3 ARG 102 HB3 ARG 102 18.737 26.533 -5.993 708 HG2 ARG 102 HG2 ARG 102 20.731 27.818 -6.576 709 HG3 ARG 102 HG3 ARG 102 19.903 28.524 -7.964 710 HD2 ARG 102 HD2 ARG 102 18.224 29.515 -6.396 711 HD3 ARG 102 HD3 ARG 102 19.173 28.900 -5.044 712 HE ARG 102 HE ARG 102 20.702 30.565 -6.906 713 HH11 ARG 102 HH11 ARG 102 18.126 31.099 -4.805 714 HH12 ARG 102 HH12 ARG 102 18.942 32.274 -3.829 715 HH21 ARG 102 HH21 ARG 102 22.019 31.791 -5.350 716 HH22 ARG 102 HH22 ARG 102 21.145 32.667 -4.137 717 H SER 103 H SER 103 19.845 25.082 -5.598 718 HA SER 103 HA SER 103 22.692 24.490 -6.268 719 HB2 SER 103 HB3 SER 103 22.969 24.425 -3.757 720 HB3 SER 103 HB2 SER 103 22.497 25.998 -4.400 721 HG SER 103 HG SER 103 20.919 25.834 -3.035 722 H PHE 104 H PHE 104 20.270 22.750 -6.814 723 HA PHE 104 HA PHE 104 21.436 20.292 -5.656 724 HB2 PHE 104 HB2 PHE 104 18.518 21.049 -5.306 725 HB3 PHE 104 HB3 PHE 104 19.215 19.481 -4.899 726 HD1 PHE 104 HD1 PHE 104 20.626 19.193 -2.952 727 HD2 PHE 104 HD2 PHE 104 19.141 23.076 -4.035 728 HE1 PHE 104 HE1 PHE 104 21.328 20.078 -0.744 729 HE2 PHE 104 HE2 PHE 104 19.842 23.960 -1.827 730 HZ PHE 104 HZ PHE 104 20.935 22.462 -0.182 731 H ALA 105 H ALA 105 20.529 18.335 -6.756 732 HA ALA 105 HA ALA 105 19.085 18.874 -9.282 733 HB1 ALA 105 HB1 ALA 105 20.885 18.676 -10.617 734 HB2 ALA 105 HB2 ALA 105 21.276 17.118 -9.890 735 HB3 ALA 105 HB3 ALA 105 21.915 18.604 -9.187 736 H PHE 106 H PHE 106 17.645 17.246 -9.617 737 HA PHE 106 HA PHE 106 17.816 14.858 -7.887 738 HB2 PHE 106 HB2 PHE 106 15.693 15.865 -9.797 739 HB3 PHE 106 HB3 PHE 106 15.559 14.347 -8.909 740 HD1 PHE 106 HD1 PHE 106 15.277 14.321 -6.482 741 HD2 PHE 106 HD2 PHE 106 15.610 18.022 -8.639 742 HE1 PHE 106 HE1 PHE 106 14.466 15.555 -4.490 743 HE2 PHE 106 HE2 PHE 106 14.800 19.256 -6.646 744 HZ PHE 106 HZ PHE 106 14.228 18.023 -4.572 745 H LEU 107 H LEU 107 18.414 12.859 -8.624 746 HA LEU 107 HA LEU 107 18.948 12.617 -11.557 747 HB2 LEU 107 HB3 LEU 107 20.246 11.188 -9.217 748 HB3 LEU 107 HB2 LEU 107 20.614 10.883 -10.914 749 HG LEU 107 HG LEU 107 20.830 13.641 -10.709 750 HD11 LEU 107 HD11 LEU 107 20.842 12.783 -8.096 751 HD12 LEU 107 HD12 LEU 107 21.612 14.263 -8.669 752 HD13 LEU 107 HD13 LEU 107 22.563 12.790 -8.485 753 HD21 LEU 107 HD21 LEU 107 22.645 12.935 -11.843 754 HD22 LEU 107 HD22 LEU 107 22.526 11.326 -11.131 755 HD23 LEU 107 HD23 LEU 107 23.407 12.602 -10.288 756 H HIS 108 H HIS 108 18.346 10.636 -12.588 757 HA HIS 108 HA HIS 108 16.432 8.966 -11.006 758 HB2 HIS 108 HB2 HIS 108 15.233 10.357 -12.638 759 HB3 HIS 108 HB3 HIS 108 16.271 9.757 -13.931 760 HD1 HIS 108 HD1 HIS 108 15.218 7.913 -15.218 761 HD2 HIS 108 HD2 HIS 108 13.954 7.904 -11.245 762 HE1 HIS 108 HE1 HIS 108 13.583 5.992 -14.992 763 H CYS 109 H CYS 109 16.579 6.728 -11.317 764 HA CYS 109 HA CYS 109 18.667 5.779 -13.230 765 HB2 CYS 109 HB3 CYS 109 19.266 5.923 -10.638 766 HB3 CYS 109 HB2 CYS 109 18.371 4.404 -10.589 767 HG CYS 109 HG CYS 109 20.059 3.445 -12.383 768 H LYS 110 H LYS 110 17.529 4.548 -14.655 769 HA LYS 110 HA LYS 110 14.993 3.354 -14.125 770 HB2 LYS 110 HB2 LYS 110 17.082 2.619 -16.199 771 HB3 LYS 110 HB3 LYS 110 15.408 2.065 -16.212 772 HG2 LYS 110 HG2 LYS 110 14.656 4.440 -16.289 773 HG3 LYS 110 HG3 LYS 110 16.344 4.946 -16.369 774 HD2 LYS 110 HD2 LYS 110 16.612 3.594 -18.449 775 HD3 LYS 110 HD3 LYS 110 14.893 3.206 -18.387 776 HE2 LYS 110 HE2 LYS 110 15.668 6.087 -18.232 777 HE3 LYS 110 HE3 LYS 110 15.806 5.287 -19.798 778 HZ1 LYS 110 HZ1 LYS 110 13.476 4.497 -19.436 779 HZ2 LYS 110 HZ2 LYS 110 13.637 6.173 -19.661 780 HZ3 LYS 110 HZ3 LYS 110 13.388 5.544 -18.103 781 H LYS 111 H LYS 111 18.277 2.213 -13.633 782 HA LYS 111 HA LYS 111 17.779 -0.566 -13.360 783 HB2 LYS 111 HB2 LYS 111 19.749 1.150 -11.813 784 HB3 LYS 111 HB3 LYS 111 19.812 -0.607 -11.959 785 HG2 LYS 111 HG2 LYS 111 19.955 1.342 -14.280 786 HG3 LYS 111 HG3 LYS 111 21.335 0.502 -13.574 787 HD2 LYS 111 HD2 LYS 111 20.194 -1.676 -14.101 788 HD3 LYS 111 HD3 LYS 111 18.948 -0.762 -14.951 789 HE2 LYS 111 HE2 LYS 111 20.589 -1.513 -16.576 790 HE3 LYS 111 HE3 LYS 111 20.750 0.233 -16.391 791 HZ1 LYS 111 HZ1 LYS 111 22.874 -1.087 -16.347 792 HZ2 LYS 111 HZ2 LYS 111 22.378 -1.692 -14.839 793 HZ3 LYS 111 HZ3 LYS 111 22.640 -0.026 -15.045 794 H LEU 112 H LEU 112 17.265 2.107 -11.108 795 HA LEU 112 HA LEU 112 16.270 0.161 -9.080 796 HB2 LEU 112 HB3 LEU 112 17.985 2.004 -8.507 797 HB3 LEU 112 HB2 LEU 112 16.636 3.130 -8.658 798 HG LEU 112 HG LEU 112 16.223 0.687 -6.988 799 HD11 LEU 112 HD11 LEU 112 17.550 3.120 -5.805 800 HD12 LEU 112 HD12 LEU 112 18.517 1.796 -6.454 801 HD13 LEU 112 HD13 LEU 112 17.401 1.501 -5.122 802 HD21 LEU 112 HD21 LEU 112 15.449 3.597 -6.623 803 HD22 LEU 112 HD22 LEU 112 14.814 2.219 -5.725 804 HD23 LEU 112 HD23 LEU 112 14.447 2.397 -7.440 805 H VAL 113 H VAL 113 14.100 -0.141 -9.030 806 HA VAL 113 HA VAL 113 12.361 2.099 -9.988 807 HB VAL 113 HB VAL 113 12.386 -0.010 -11.402 808 HG11 VAL 113 HG21 VAL 113 11.040 -1.911 -10.435 809 HG12 VAL 113 HG22 VAL 113 11.138 -1.109 -8.867 810 HG13 VAL 113 HG23 VAL 113 12.607 -1.676 -9.661 811 HG21 VAL 113 HG11 VAL 113 10.272 0.531 -11.996 812 HG22 VAL 113 HG12 VAL 113 10.290 1.655 -10.637 813 HG23 VAL 113 HG13 VAL 113 9.628 0.032 -10.431 814 H GLU 114 H GLU 114 13.007 -0.230 -7.471 815 HA GLU 114 HA GLU 114 10.657 -0.387 -6.025 816 HB2 GLU 114 HB2 GLU 114 12.889 -1.330 -5.335 817 HB3 GLU 114 HB3 GLU 114 13.336 0.279 -4.772 818 HG2 GLU 114 HG3 GLU 114 11.388 0.277 -3.245 819 HG3 GLU 114 HG2 GLU 114 10.966 -1.345 -3.796 820 H ASN 115 H ASN 115 12.941 2.360 -5.985 821 HA ASN 115 HA ASN 115 10.750 3.993 -4.761 822 HB2 ASN 115 HB3 ASN 115 13.758 4.192 -4.479 823 HB3 ASN 115 HB2 ASN 115 12.662 5.479 -3.974 824 HD21 ASN 115 HD21 ASN 115 10.860 4.714 -2.396 825 HD22 ASN 115 HD22 ASN 115 11.310 3.563 -1.232 826 H GLY 116 H GLY 116 11.239 3.454 -7.634 827 HA2 GLY 116 HA3 GLY 116 11.095 4.734 -9.604 828 HA3 GLY 116 HA2 GLY 116 11.021 6.174 -8.588 829 H GLY 117 H GLY 117 13.693 4.380 -7.680 830 HA2 GLY 117 HA2 GLY 117 15.984 4.874 -7.886 831 HA3 GLY 117 HA3 GLY 117 15.656 4.791 -9.618 832 H MET 118 H MET 118 14.694 7.106 -7.059 833 HA MET 118 HA MET 118 15.846 9.265 -8.782 834 HB2 MET 118 HB2 MET 118 13.350 9.275 -7.065 835 HB3 MET 118 HB3 MET 118 14.065 10.736 -7.748 836 HG2 MET 118 HG2 MET 118 13.863 9.728 -10.022 837 HG3 MET 118 HG3 MET 118 13.054 8.335 -9.303 838 HE1 MET 118 HE1 MET 118 13.260 12.067 -9.395 839 HE2 MET 118 HE2 MET 118 11.617 12.650 -9.642 840 HE3 MET 118 HE3 MET 118 12.444 11.795 -10.940 841 H PHE 119 H PHE 119 17.624 10.090 -7.799 842 HA PHE 119 HA PHE 119 17.507 10.491 -4.841 843 HB2 PHE 119 HB2 PHE 119 19.960 9.977 -4.778 844 HB3 PHE 119 HB3 PHE 119 18.971 8.589 -5.229 845 HD1 PHE 119 HD1 PHE 119 18.657 8.099 -7.734 846 HD2 PHE 119 HD2 PHE 119 21.667 10.755 -6.206 847 HE1 PHE 119 HE1 PHE 119 19.919 7.888 -9.858 848 HE2 PHE 119 HE2 PHE 119 22.929 10.546 -8.331 849 HZ PHE 119 HZ PHE 119 22.054 9.112 -10.155 850 H VAL 120 H VAL 120 18.391 12.443 -4.130 851 HA VAL 120 HA VAL 120 19.142 14.349 -6.303 852 HB VAL 120 HB VAL 120 17.197 15.136 -5.172 853 HG11 VAL 120 HG11 VAL 120 18.486 13.836 -2.890 854 HG12 VAL 120 HG12 VAL 120 16.777 14.166 -3.174 855 HG13 VAL 120 HG13 VAL 120 17.813 15.413 -2.482 856 HG21 VAL 120 HG21 VAL 120 19.053 16.668 -3.475 857 HG22 VAL 120 HG22 VAL 120 17.949 17.233 -4.729 858 HG23 VAL 120 HG23 VAL 120 19.530 16.588 -5.170 859 H CYS 121 H CYS 121 20.987 15.684 -6.011 860 HA CYS 121 HA CYS 121 22.679 15.167 -3.624 861 HB2 CYS 121 HB3 CYS 121 23.149 13.804 -5.970 862 HB3 CYS 121 HB2 CYS 121 24.197 15.211 -6.145 863 HG CYS 121 HG CYS 121 24.594 14.120 -3.392 864 H LYS 122 H LYS 122 24.726 16.689 -3.841 865 HA LYS 122 HA LYS 122 23.664 19.375 -4.424 866 HB2 LYS 122 HB2 LYS 122 24.986 18.758 -2.317 867 HB3 LYS 122 HB3 LYS 122 26.409 18.690 -3.356 868 HG2 LYS 122 HG2 LYS 122 26.440 20.909 -2.579 869 HG3 LYS 122 HG3 LYS 122 25.648 21.057 -4.148 870 HD2 LYS 122 HD2 LYS 122 23.439 20.951 -3.026 871 HD3 LYS 122 HD3 LYS 122 24.249 20.853 -1.464 872 HE2 LYS 122 HE2 LYS 122 25.391 23.042 -2.031 873 HE3 LYS 122 HE3 LYS 122 24.326 23.154 -3.432 874 HZ1 LYS 122 HZ1 LYS 122 22.534 23.580 -2.155 875 HZ2 LYS 122 HZ2 LYS 122 23.703 24.150 -1.063 876 HZ3 LYS 122 HZ3 LYS 122 23.052 22.592 -0.878 877 H THR 123 H THR 123 23.869 20.055 -6.498 878 HA THR 123 HA THR 123 25.402 19.021 -8.552 879 HB THR 123 HB THR 123 25.267 21.213 -9.633 880 HG1 THR 123 HG1 THR 123 24.219 22.323 -7.290 881 HG21 THR 123 HG21 THR 123 23.141 20.453 -9.874 882 HG22 THR 123 HG22 THR 123 22.744 21.689 -8.679 883 HG23 THR 123 HG23 THR 123 23.004 20.020 -8.170 884 H ARG 124 H ARG 124 26.500 20.973 -5.870 885 HA ARG 124 HA ARG 124 28.975 21.895 -6.884 886 HB2 ARG 124 HB2 ARG 124 28.029 22.557 -4.683 887 HB3 ARG 124 HB3 ARG 124 28.392 20.946 -4.064 888 HG2 ARG 124 HG2 ARG 124 30.798 21.319 -4.625 889 HG3 ARG 124 HG3 ARG 124 30.397 22.966 -5.115 890 HD2 ARG 124 HD2 ARG 124 29.509 23.398 -2.829 891 HD3 ARG 124 HD3 ARG 124 30.005 21.774 -2.353 892 HE ARG 124 HE ARG 124 32.276 23.084 -3.442 893 HH11 ARG 124 HH11 ARG 124 30.286 22.796 -0.663 894 HH12 ARG 124 HH12 ARG 124 31.354 23.689 0.368 895 HH21 ARG 124 HH21 ARG 124 33.592 24.453 -2.168 896 HH22 ARG 124 HH22 ARG 124 33.224 24.627 -0.483 897 H HIS 125 H HIS 125 28.051 18.697 -5.703 898 HA HIS 125 HA HIS 125 30.866 17.793 -6.045 899 HB2 HIS 125 HB2 HIS 125 28.462 16.478 -4.760 900 HB3 HIS 125 HB3 HIS 125 30.021 15.680 -4.963 901 HD1 HIS 125 HD1 HIS 125 31.952 16.418 -3.438 902 HD2 HIS 125 HD2 HIS 125 28.485 18.662 -2.896 903 HE1 HIS 125 HE1 HIS 125 32.317 17.806 -1.351 904 H LEU 126 H LEU 126 28.145 18.074 -7.903 905 HA LEU 126 HA LEU 126 28.303 15.459 -9.235 906 HB2 LEU 126 HB2 LEU 126 26.818 17.975 -10.059 907 HB3 LEU 126 HB3 LEU 126 26.578 16.358 -10.722 908 HG LEU 126 HG LEU 126 26.052 17.253 -7.873 909 HD11 LEU 126 HD11 LEU 126 23.977 17.635 -8.660 910 HD12 LEU 126 HD12 LEU 126 23.854 15.924 -9.069 911 HD13 LEU 126 HD13 LEU 126 24.451 17.076 -10.264 912 HD21 LEU 126 HD21 LEU 126 25.065 14.738 -8.008 913 HD22 LEU 126 HD22 LEU 126 26.692 15.096 -7.432 914 HD23 LEU 126 HD23 LEU 126 26.442 14.573 -9.096 915 H VAL 127 H VAL 127 29.298 15.076 -11.228 916 HA VAL 127 HA VAL 127 30.781 17.379 -12.428 917 HB VAL 127 HB VAL 127 32.288 15.865 -11.114 918 HG11 VAL 127 HG11 VAL 127 32.694 13.598 -11.979 919 HG12 VAL 127 HG12 VAL 127 31.451 13.833 -13.207 920 HG13 VAL 127 HG13 VAL 127 31.006 13.780 -11.501 921 HG21 VAL 127 HG21 VAL 127 32.505 16.341 -14.049 922 HG22 VAL 127 HG22 VAL 127 33.683 15.246 -13.326 923 HG23 VAL 127 HG23 VAL 127 33.544 16.904 -12.740 924 H LEU 128 H LEU 128 31.026 17.277 -14.722 925 HA LEU 128 HA LEU 128 28.953 15.642 -16.045 926 HB2 LEU 128 HB2 LEU 128 29.218 18.067 -16.589 927 HB3 LEU 128 HB3 LEU 128 30.827 17.717 -17.224 928 HG LEU 128 HG LEU 128 29.679 15.995 -18.743 929 HD11 LEU 128 HD11 LEU 128 27.188 17.129 -19.057 930 HD12 LEU 128 HD12 LEU 128 27.390 17.159 -17.305 931 HD13 LEU 128 HD13 LEU 128 27.509 15.633 -18.179 932 HD21 LEU 128 HD21 LEU 128 29.373 17.608 -20.422 933 HD22 LEU 128 HD22 LEU 128 30.446 18.430 -19.289 934 HD23 LEU 128 HD23 LEU 128 28.721 18.797 -19.293 935 H ALA 129 H ALA 129 29.448 13.738 -17.012 936 HA ALA 129 HA ALA 129 32.088 12.654 -17.044 937 HB1 ALA 129 HB1 ALA 129 30.029 11.709 -19.005 938 HB2 ALA 129 HB2 ALA 129 29.704 11.518 -17.282 939 HB3 ALA 129 HB3 ALA 129 31.130 10.767 -18.000 940 H GLY 130 H GLY 130 30.206 14.370 -19.509 941 HA2 GLY 130 HA2 GLY 130 30.945 15.440 -21.468 942 HA3 GLY 130 HA3 GLY 130 32.595 15.217 -20.888 Start of MODEL 12 1 H GLN 16 H GLN 16 -3.010 15.757 -16.108 2 HA GLN 16 HA GLN 16 -3.444 17.795 -14.006 3 HB2 GLN 16 HB2 GLN 16 -3.549 14.764 -13.925 4 HB3 GLN 16 HB3 GLN 16 -3.926 15.819 -12.563 5 HG2 GLN 16 HG2 GLN 16 -5.745 16.856 -13.843 6 HG3 GLN 16 HG3 GLN 16 -5.347 15.862 -15.244 7 HE21 GLN 16 HE21 GLN 16 -7.935 15.720 -14.028 8 HE22 GLN 16 HE22 GLN 16 -8.104 14.213 -13.264 9 H HIS 17 H HIS 17 -1.655 14.730 -13.753 10 HA HIS 17 HA HIS 17 0.718 16.306 -12.844 11 HB2 HIS 17 HB2 HIS 17 0.028 13.638 -11.634 12 HB3 HIS 17 HB3 HIS 17 1.022 14.935 -10.967 13 HD1 HIS 17 HD1 HIS 17 -2.623 14.263 -11.861 14 HD2 HIS 17 HD2 HIS 17 -0.370 16.651 -9.290 15 HE1 HIS 17 HE1 HIS 17 -4.278 15.479 -10.378 16 H GLU 18 H GLU 18 2.667 14.594 -12.687 17 HA GLU 18 HA GLU 18 2.535 12.531 -14.776 18 HB2 GLU 18 HB2 GLU 18 4.373 14.927 -15.067 19 HB3 GLU 18 HB3 GLU 18 4.359 13.508 -16.114 20 HG2 GLU 18 HG2 GLU 18 1.946 14.006 -16.635 21 HG3 GLU 18 HG3 GLU 18 2.117 15.512 -15.732 22 H TRP 19 H TRP 19 4.740 11.422 -14.946 23 HA TRP 19 HA TRP 19 5.805 11.087 -12.220 24 HB2 TRP 19 HB2 TRP 19 5.280 9.145 -13.748 25 HB3 TRP 19 HB3 TRP 19 6.627 9.660 -14.763 26 HD1 TRP 19 HD1 TRP 19 5.913 8.507 -11.157 27 HE1 TRP 19 HE1 TRP 19 8.048 7.407 -10.222 28 HE3 TRP 19 HE3 TRP 19 9.125 9.381 -15.029 29 HZ2 TRP 19 HZ2 TRP 19 10.761 6.957 -11.010 30 HZ3 TRP 19 HZ3 TRP 19 11.476 8.606 -14.912 31 HH2 TRP 19 HH2 TRP 19 12.298 7.397 -12.909 32 H GLY 20 H GLY 20 7.811 11.811 -11.561 33 HA2 GLY 20 HA3 GLY 20 10.079 12.538 -11.872 34 HA3 GLY 20 HA2 GLY 20 9.755 12.730 -13.595 35 H GLU 21 H GLU 21 7.224 14.037 -11.807 36 HA GLU 21 HA GLU 21 7.898 16.735 -12.603 37 HB2 GLU 21 HB2 GLU 21 5.555 15.846 -12.367 38 HB3 GLU 21 HB3 GLU 21 5.784 15.856 -10.618 39 HG2 GLU 21 HG2 GLU 21 4.672 17.922 -11.285 40 HG3 GLU 21 HG3 GLU 21 6.309 18.298 -10.748 41 H LEU 22 H LEU 22 9.119 18.179 -11.504 42 HA LEU 22 HA LEU 22 10.033 17.496 -8.770 43 HB2 LEU 22 HB2 LEU 22 11.536 18.355 -10.708 44 HB3 LEU 22 HB3 LEU 22 10.836 19.936 -10.364 45 HG LEU 22 HG LEU 22 12.954 19.613 -9.134 46 HD11 LEU 22 HD11 LEU 22 10.903 19.410 -6.981 47 HD12 LEU 22 HD12 LEU 22 10.697 20.700 -8.167 48 HD13 LEU 22 HD13 LEU 22 12.176 20.609 -7.212 49 HD21 LEU 22 HD21 LEU 22 12.650 17.095 -8.972 50 HD22 LEU 22 HD22 LEU 22 11.524 17.397 -7.649 51 HD23 LEU 22 HD23 LEU 22 13.213 17.880 -7.496 52 H VAL 23 H VAL 23 9.235 18.551 -6.970 53 HA VAL 23 HA VAL 23 7.616 21.022 -7.429 54 HB VAL 23 HB VAL 23 6.042 20.244 -5.696 55 HG11 VAL 23 HG21 VAL 23 5.683 19.676 -8.113 56 HG12 VAL 23 HG22 VAL 23 4.954 18.512 -7.008 57 HG13 VAL 23 HG23 VAL 23 6.468 18.125 -7.822 58 HG21 VAL 23 HG11 VAL 23 7.545 17.617 -5.789 59 HG22 VAL 23 HG12 VAL 23 6.217 18.058 -4.715 60 HG23 VAL 23 HG13 VAL 23 7.794 18.823 -4.527 61 H GLN 24 H GLN 24 7.551 22.465 -5.560 62 HA GLN 24 HA GLN 24 9.947 22.120 -3.811 63 HB2 GLN 24 HB2 GLN 24 10.007 24.133 -5.216 64 HB3 GLN 24 HB3 GLN 24 8.435 24.632 -4.594 65 HG2 GLN 24 HG3 GLN 24 9.401 24.706 -2.299 66 HG3 GLN 24 HG2 GLN 24 10.977 24.293 -2.974 67 HE21 GLN 24 HE21 GLN 24 12.251 26.120 -3.282 68 HE22 GLN 24 HE22 GLN 24 11.668 27.668 -3.662 69 H LEU 25 H LEU 25 9.257 21.211 -1.913 70 HA LEU 25 HA LEU 25 6.599 21.635 -0.844 71 HB2 LEU 25 HB2 LEU 25 9.064 20.569 0.567 72 HB3 LEU 25 HB3 LEU 25 7.389 20.355 1.076 73 HG LEU 25 HG LEU 25 8.598 19.328 -1.510 74 HD11 LEU 25 HD11 LEU 25 8.366 17.127 -0.526 75 HD12 LEU 25 HD12 LEU 25 7.573 17.801 0.899 76 HD13 LEU 25 HD13 LEU 25 9.279 18.133 0.600 77 HD21 LEU 25 HD21 LEU 25 6.298 18.056 -1.422 78 HD22 LEU 25 HD22 LEU 25 6.354 19.707 -2.040 79 HD23 LEU 25 HD23 LEU 25 5.811 19.400 -0.390 80 H ASP 26 H ASP 26 9.771 23.093 -0.283 81 HA ASP 26 HA ASP 26 8.421 25.279 1.190 82 HB2 ASP 26 HB2 ASP 26 10.047 23.238 2.453 83 HB3 ASP 26 HB3 ASP 26 10.796 24.825 2.635 84 HA PRO 27 HA PRO 27 11.426 27.922 -0.718 85 HB2 PRO 27 HB2 PRO 27 12.520 29.388 1.276 86 HB3 PRO 27 HB3 PRO 27 10.869 29.629 0.699 87 HG2 PRO 27 HG3 PRO 27 11.838 28.114 3.096 88 HG3 PRO 27 HG2 PRO 27 10.477 29.233 2.966 89 HD2 PRO 27 HD3 PRO 27 10.124 26.561 2.938 90 HD3 PRO 27 HD2 PRO 27 9.096 27.642 1.997 91 H GLN 28 H GLN 28 12.471 25.522 1.405 92 HA GLN 28 HA GLN 28 15.234 25.764 0.339 93 HB2 GLN 28 HB2 GLN 28 14.535 25.381 3.267 94 HB3 GLN 28 HB3 GLN 28 16.158 25.227 2.592 95 HG2 GLN 28 HG3 GLN 28 15.951 27.585 1.739 96 HG3 GLN 28 HG2 GLN 28 14.423 27.714 2.609 97 HE21 GLN 28 HE21 GLN 28 14.499 27.852 4.944 98 HE22 GLN 28 HE22 GLN 28 15.956 28.092 5.781 99 H THR 29 H THR 29 12.596 23.956 0.395 100 HA THR 29 HA THR 29 14.158 21.412 0.454 101 HB THR 29 HB THR 29 11.355 21.814 1.543 102 HG1 THR 29 HG1 THR 29 13.899 21.690 2.655 103 HG21 THR 29 HG21 THR 29 11.747 19.412 2.313 104 HG22 THR 29 HG22 THR 29 13.110 19.378 1.195 105 HG23 THR 29 HG23 THR 29 11.475 19.631 0.584 106 H VAL 30 H VAL 30 13.802 20.142 -1.333 107 HA VAL 30 HA VAL 30 11.472 20.845 -3.069 108 HB VAL 30 HB VAL 30 12.965 20.351 -5.032 109 HG11 VAL 30 HG21 VAL 30 13.801 22.586 -3.158 110 HG12 VAL 30 HG22 VAL 30 12.538 22.665 -4.385 111 HG13 VAL 30 HG23 VAL 30 14.225 22.503 -4.867 112 HG21 VAL 30 HG11 VAL 30 14.646 19.001 -3.872 113 HG22 VAL 30 HG12 VAL 30 15.094 20.382 -2.869 114 HG23 VAL 30 HG13 VAL 30 15.419 20.408 -4.602 115 H GLY 31 H GLY 31 10.702 19.054 -4.391 116 HA2 GLY 31 HA2 GLY 31 11.770 16.368 -3.781 117 HA3 GLY 31 HA3 GLY 31 10.116 16.685 -3.256 118 H VAL 32 H VAL 32 10.511 14.701 -5.136 119 HA VAL 32 HA VAL 32 9.272 15.952 -7.541 120 HB VAL 32 HB VAL 32 11.566 15.592 -8.197 121 HG11 VAL 32 HG21 VAL 32 11.271 12.719 -7.302 122 HG12 VAL 32 HG22 VAL 32 12.012 13.972 -6.307 123 HG13 VAL 32 HG23 VAL 32 12.738 13.529 -7.851 124 HG21 VAL 32 HG11 VAL 32 10.409 14.972 -10.079 125 HG22 VAL 32 HG12 VAL 32 9.482 13.734 -9.233 126 HG23 VAL 32 HG13 VAL 32 11.146 13.412 -9.715 127 H ILE 33 H ILE 33 7.615 14.717 -8.423 128 HA ILE 33 HA ILE 33 6.473 12.663 -6.744 129 HB ILE 33 HB ILE 33 5.779 13.594 -9.542 130 HG12 ILE 33 HG12 ILE 33 4.415 14.097 -6.882 131 HG13 ILE 33 HG13 ILE 33 5.527 15.231 -7.649 132 HG21 ILE 33 HG21 ILE 33 3.557 12.396 -8.280 133 HG22 ILE 33 HG22 ILE 33 4.903 11.281 -8.045 134 HG23 ILE 33 HG23 ILE 33 4.447 11.782 -9.673 135 HD11 ILE 33 HD11 ILE 33 3.367 15.951 -8.330 136 HD12 ILE 33 HD12 ILE 33 2.828 14.301 -8.640 137 HD13 ILE 33 HD13 ILE 33 4.000 15.062 -9.716 138 H VAL 34 H VAL 34 6.994 10.546 -6.744 139 HA VAL 34 HA VAL 34 8.293 9.416 -9.191 140 HB VAL 34 HB VAL 34 9.881 9.325 -7.407 141 HG11 VAL 34 HG11 VAL 34 7.481 8.529 -5.774 142 HG12 VAL 34 HG12 VAL 34 8.662 9.801 -5.459 143 HG13 VAL 34 HG13 VAL 34 9.105 8.109 -5.228 144 HG21 VAL 34 HG21 VAL 34 8.876 7.025 -8.595 145 HG22 VAL 34 HG22 VAL 34 8.916 6.613 -6.881 146 HG23 VAL 34 HG23 VAL 34 10.389 7.139 -7.695 147 H ARG 35 H ARG 35 5.691 9.185 -6.926 148 HA ARG 35 HA ARG 35 4.583 6.910 -8.485 149 HB2 ARG 35 HB2 ARG 35 4.908 7.010 -5.476 150 HB3 ARG 35 HB3 ARG 35 3.777 5.920 -6.278 151 HG2 ARG 35 HG2 ARG 35 5.723 5.069 -7.657 152 HG3 ARG 35 HG3 ARG 35 6.787 6.010 -6.611 153 HD2 ARG 35 HD2 ARG 35 5.716 4.786 -4.643 154 HD3 ARG 35 HD3 ARG 35 4.986 3.706 -5.831 155 HE ARG 35 HE ARG 35 7.515 3.429 -6.579 156 HH11 ARG 35 HH11 ARG 35 7.540 1.210 -5.208 157 HH12 ARG 35 HH12 ARG 35 8.240 1.478 -3.647 158 HH21 ARG 35 HH21 ARG 35 7.865 4.923 -3.779 159 HH22 ARG 35 HH22 ARG 35 8.424 3.580 -2.838 160 H LEU 36 H LEU 36 2.784 7.887 -9.315 161 HA LEU 36 HA LEU 36 1.335 9.913 -7.747 162 HB2 LEU 36 HB2 LEU 36 0.752 8.747 -10.487 163 HB3 LEU 36 HB3 LEU 36 -0.049 10.147 -9.772 164 HG LEU 36 HG LEU 36 2.466 10.989 -9.494 165 HD11 LEU 36 HD11 LEU 36 3.214 10.066 -12.046 166 HD12 LEU 36 HD12 LEU 36 2.670 8.634 -11.172 167 HD13 LEU 36 HD13 LEU 36 3.959 9.637 -10.506 168 HD21 LEU 36 HD21 LEU 36 0.422 11.808 -10.958 169 HD22 LEU 36 HD22 LEU 36 1.363 11.120 -12.281 170 HD23 LEU 36 HD23 LEU 36 2.048 12.409 -11.291 171 H GLU 37 H GLU 37 -0.617 9.582 -6.732 172 HA GLU 37 HA GLU 37 -1.973 6.957 -7.139 173 HB2 GLU 37 HB2 GLU 37 -1.353 8.249 -4.464 174 HB3 GLU 37 HB3 GLU 37 -2.358 6.817 -4.686 175 HG2 GLU 37 HG2 GLU 37 0.538 7.036 -5.563 176 HG3 GLU 37 HG3 GLU 37 0.004 6.262 -4.072 177 H ARG 38 H ARG 38 -4.261 7.050 -6.195 178 HA ARG 38 HA ARG 38 -5.511 9.543 -7.090 179 HB2 ARG 38 HB2 ARG 38 -6.620 6.945 -6.001 180 HB3 ARG 38 HB3 ARG 38 -7.640 8.312 -6.451 181 HG2 ARG 38 HG2 ARG 38 -6.545 8.256 -8.732 182 HG3 ARG 38 HG3 ARG 38 -5.772 6.745 -8.251 183 HD2 ARG 38 HD2 ARG 38 -8.743 7.295 -8.483 184 HD3 ARG 38 HD3 ARG 38 -7.787 6.164 -9.442 185 HE ARG 38 HE ARG 38 -7.556 5.466 -6.678 186 HH11 ARG 38 HH11 ARG 38 -8.072 3.092 -7.208 187 HH12 ARG 38 HH12 ARG 38 -9.747 2.818 -7.551 188 HH21 ARG 38 HH21 ARG 38 -10.472 6.176 -8.023 189 HH22 ARG 38 HH22 ARG 38 -11.106 4.564 -8.013 190 H GLU 39 H GLU 39 -4.823 7.950 -4.023 191 HA GLU 39 HA GLU 39 -6.508 9.750 -2.467 192 HB2 GLU 39 HB2 GLU 39 -4.306 7.821 -1.682 193 HB3 GLU 39 HB3 GLU 39 -5.261 8.742 -0.520 194 HG2 GLU 39 HG2 GLU 39 -7.331 7.733 -1.474 195 HG3 GLU 39 HG3 GLU 39 -6.331 6.756 -2.549 196 H THR 40 H THR 40 -3.090 9.614 -3.380 197 HA THR 40 HA THR 40 -2.786 12.458 -2.887 198 HB THR 40 HB THR 40 -0.731 11.656 -1.252 199 HG1 THR 40 HG1 THR 40 -2.219 10.355 0.277 200 HG21 THR 40 HG21 THR 40 -1.775 13.380 -0.243 201 HG22 THR 40 HG22 THR 40 -2.833 12.180 0.497 202 HG23 THR 40 HG23 THR 40 -3.317 12.978 -0.999 203 H PHE 41 H PHE 41 -0.251 12.955 -3.066 204 HA PHE 41 HA PHE 41 0.756 11.203 -5.270 205 HB2 PHE 41 HB3 PHE 41 1.292 14.137 -4.719 206 HB3 PHE 41 HB2 PHE 41 2.009 13.208 -6.035 207 HD1 PHE 41 HD1 PHE 41 -0.013 15.702 -5.974 208 HD2 PHE 41 HD2 PHE 41 -0.406 11.486 -6.696 209 HE1 PHE 41 HE1 PHE 41 -2.021 16.127 -7.366 210 HE2 PHE 41 HE2 PHE 41 -2.414 11.911 -8.087 211 HZ PHE 41 HZ PHE 41 -3.222 14.232 -8.422 212 H GLN 42 H GLN 42 2.696 10.201 -4.962 213 HA GLN 42 HA GLN 42 4.141 10.775 -2.431 214 HB2 GLN 42 HB2 GLN 42 3.482 8.418 -3.001 215 HB3 GLN 42 HB3 GLN 42 4.559 8.503 -4.396 216 HG2 GLN 42 HG2 GLN 42 6.438 9.069 -2.822 217 HG3 GLN 42 HG3 GLN 42 5.335 8.777 -1.477 218 HE21 GLN 42 HE21 GLN 42 5.158 6.629 -0.774 219 HE22 GLN 42 HE22 GLN 42 5.727 5.283 -1.637 220 H VAL 43 H VAL 43 5.979 11.977 -2.507 221 HA VAL 43 HA VAL 43 7.490 12.038 -5.083 222 HB VAL 43 HB VAL 43 7.705 14.366 -5.020 223 HG11 VAL 43 HG21 VAL 43 5.252 13.411 -5.162 224 HG12 VAL 43 HG22 VAL 43 5.515 15.152 -5.053 225 HG13 VAL 43 HG23 VAL 43 5.058 14.238 -3.616 226 HG21 VAL 43 HG11 VAL 43 8.519 14.546 -2.718 227 HG22 VAL 43 HG12 VAL 43 6.893 14.241 -2.100 228 HG23 VAL 43 HG13 VAL 43 7.235 15.724 -2.992 229 H LEU 44 H LEU 44 9.796 12.508 -4.814 230 HA LEU 44 HA LEU 44 10.838 11.321 -2.327 231 HB2 LEU 44 HB3 LEU 44 11.747 10.648 -4.553 232 HB3 LEU 44 HB2 LEU 44 12.330 12.297 -4.782 233 HG LEU 44 HG LEU 44 13.529 11.964 -2.506 234 HD11 LEU 44 HD11 LEU 44 12.175 9.756 -2.195 235 HD12 LEU 44 HD12 LEU 44 13.878 9.769 -1.737 236 HD13 LEU 44 HD13 LEU 44 13.383 9.054 -3.272 237 HD21 LEU 44 HD21 LEU 44 15.148 12.044 -4.094 238 HD22 LEU 44 HD22 LEU 44 14.215 11.053 -5.215 239 HD23 LEU 44 HD23 LEU 44 15.174 10.286 -3.950 240 H ASN 45 H ASN 45 11.493 12.581 -0.648 241 HA ASN 45 HA ASN 45 11.515 15.479 -0.902 242 HB2 ASN 45 HB2 ASN 45 10.837 14.178 1.176 243 HB3 ASN 45 HB3 ASN 45 12.551 13.843 1.427 244 HD21 ASN 45 HD21 ASN 45 12.662 15.172 3.372 245 HD22 ASN 45 HD22 ASN 45 12.587 16.865 3.291 246 H MET 46 H MET 46 13.294 16.845 -0.930 247 HA MET 46 HA MET 46 15.640 16.156 -2.233 248 HB2 MET 46 HB2 MET 46 15.183 18.472 -1.898 249 HB3 MET 46 HB3 MET 46 15.125 18.283 -0.145 250 HG2 MET 46 HG2 MET 46 17.550 17.652 -0.187 251 HG3 MET 46 HG3 MET 46 17.575 18.007 -1.915 252 HE1 MET 46 HE1 MET 46 17.807 20.585 1.673 253 HE2 MET 46 HE2 MET 46 17.356 18.890 1.516 254 HE3 MET 46 HE3 MET 46 16.113 20.136 1.440 255 H TYR 47 H TYR 47 14.822 15.539 1.101 256 HA TYR 47 HA TYR 47 17.511 15.096 2.054 257 HB2 TYR 47 HB2 TYR 47 14.830 14.072 3.030 258 HB3 TYR 47 HB3 TYR 47 16.346 13.819 3.889 259 HD1 TYR 47 HD1 TYR 47 16.999 16.824 2.455 260 HD2 TYR 47 HD2 TYR 47 14.336 15.163 5.390 261 HE1 TYR 47 HE1 TYR 47 16.773 19.053 3.511 262 HE2 TYR 47 HE2 TYR 47 14.110 17.395 6.444 263 HH TYR 47 HH TYR 47 15.638 20.266 5.020 264 H GLY 48 H GLY 48 15.716 13.438 -0.227 265 HA2 GLY 48 HA2 GLY 48 16.416 11.478 -1.386 266 HA3 GLY 48 HA3 GLY 48 17.544 11.138 -0.072 267 H LYS 49 H LYS 49 14.081 11.842 0.235 268 HA LYS 49 HA LYS 49 13.658 9.007 1.084 269 HB2 LYS 49 HB3 LYS 49 12.588 11.442 2.540 270 HB3 LYS 49 HB2 LYS 49 12.348 9.756 3.001 271 HG2 LYS 49 HG2 LYS 49 15.095 10.998 2.732 272 HG3 LYS 49 HG3 LYS 49 14.199 10.992 4.252 273 HD2 LYS 49 HD2 LYS 49 14.020 8.502 4.078 274 HD3 LYS 49 HD3 LYS 49 15.041 8.564 2.641 275 HE2 LYS 49 HE2 LYS 49 16.549 8.112 4.414 276 HE3 LYS 49 HE3 LYS 49 16.726 9.841 4.120 277 HZ1 LYS 49 HZ1 LYS 49 15.828 10.352 6.090 278 HZ2 LYS 49 HZ2 LYS 49 16.217 8.754 6.517 279 HZ3 LYS 49 HZ3 LYS 49 14.646 9.141 5.997 280 H VAL 50 H VAL 50 11.291 8.447 1.129 281 HA VAL 50 HA VAL 50 9.819 10.007 -0.959 282 HB VAL 50 HB VAL 50 9.546 7.054 -0.320 283 HG11 VAL 50 HG11 VAL 50 7.534 8.023 -1.298 284 HG12 VAL 50 HG12 VAL 50 8.350 7.047 -2.517 285 HG13 VAL 50 HG13 VAL 50 8.486 8.805 -2.560 286 HG21 VAL 50 HG21 VAL 50 10.898 8.321 -2.716 287 HG22 VAL 50 HG22 VAL 50 10.872 6.614 -2.274 288 HG23 VAL 50 HG23 VAL 50 11.784 7.764 -1.296 289 H VAL 51 H VAL 51 8.058 11.028 -0.142 290 HA VAL 51 HA VAL 51 6.529 9.682 2.035 291 HB VAL 51 HB VAL 51 7.303 12.616 1.993 292 HG11 VAL 51 HG11 VAL 51 5.252 11.069 3.408 293 HG12 VAL 51 HG12 VAL 51 5.423 12.817 3.241 294 HG13 VAL 51 HG13 VAL 51 6.316 11.960 4.497 295 HG21 VAL 51 HG21 VAL 51 9.140 11.988 3.130 296 HG22 VAL 51 HG22 VAL 51 8.669 10.296 2.970 297 HG23 VAL 51 HG23 VAL 51 8.116 11.237 4.355 298 H THR 52 H THR 52 4.288 10.034 1.920 299 HA THR 52 HA THR 52 3.261 10.855 -0.670 300 HB THR 52 HB THR 52 1.658 10.373 1.852 301 HG1 THR 52 HG1 THR 52 2.348 8.431 -0.073 302 HG21 THR 52 HG21 THR 52 0.066 10.988 0.337 303 HG22 THR 52 HG22 THR 52 0.260 9.328 -0.228 304 HG23 THR 52 HG23 THR 52 1.105 10.642 -1.045 305 H VAL 53 H VAL 53 2.061 12.733 -1.152 306 HA VAL 53 HA VAL 53 1.729 14.750 0.999 307 HB VAL 53 HB VAL 53 2.755 16.507 -0.412 308 HG11 VAL 53 HG21 VAL 53 4.937 14.524 -0.376 309 HG12 VAL 53 HG22 VAL 53 4.043 14.648 1.140 310 HG13 VAL 53 HG23 VAL 53 4.815 16.076 0.451 311 HG21 VAL 53 HG11 VAL 53 4.087 15.806 -2.390 312 HG22 VAL 53 HG12 VAL 53 2.368 15.478 -2.605 313 HG23 VAL 53 HG13 VAL 53 3.473 14.164 -2.200 314 H ARG 54 H ARG 54 -0.052 16.093 0.639 315 HA ARG 54 HA ARG 54 -1.903 15.219 -1.460 316 HB2 ARG 54 HB3 ARG 54 -2.122 17.351 0.686 317 HB3 ARG 54 HB2 ARG 54 -3.429 16.912 -0.414 318 HG2 ARG 54 HG3 ARG 54 -3.353 14.590 0.418 319 HG3 ARG 54 HG2 ARG 54 -2.038 15.022 1.510 320 HD2 ARG 54 HD3 ARG 54 -4.020 15.122 2.835 321 HD3 ARG 54 HD2 ARG 54 -3.617 16.800 2.466 322 HE ARG 54 HE ARG 54 -5.492 15.525 0.590 323 HH11 ARG 54 HH11 ARG 54 -5.465 18.440 0.860 324 HH12 ARG 54 HH12 ARG 54 -6.799 18.757 1.919 325 HH21 ARG 54 HH21 ARG 54 -7.012 15.490 3.062 326 HH22 ARG 54 HH22 ARG 54 -7.676 17.087 3.165 327 H HIS 55 H HIS 55 -3.083 17.066 -2.697 328 HA HIS 55 HA HIS 55 -1.313 18.304 -4.489 329 HB2 HIS 55 HB2 HIS 55 -4.085 19.235 -3.679 330 HB3 HIS 55 HB3 HIS 55 -3.225 19.743 -5.133 331 HD1 HIS 55 HD1 HIS 55 -4.700 16.637 -3.528 332 HD2 HIS 55 HD2 HIS 55 -3.369 17.932 -7.261 333 HE1 HIS 55 HE1 HIS 55 -5.327 14.824 -5.181 334 H GLN 56 H GLN 56 -2.752 19.628 -1.513 335 HA GLN 56 HA GLN 56 -1.514 22.232 -1.835 336 HB2 GLN 56 HB2 GLN 56 -2.612 20.894 0.658 337 HB3 GLN 56 HB3 GLN 56 -2.233 22.608 0.492 338 HG2 GLN 56 HG2 GLN 56 -3.932 22.880 -1.214 339 HG3 GLN 56 HG3 GLN 56 -4.223 21.141 -1.263 340 HE21 GLN 56 HE21 GLN 56 -6.308 23.047 -0.639 341 HE22 GLN 56 HE22 GLN 56 -6.774 22.800 0.974 342 H ALA 57 H ALA 57 -0.495 19.164 -0.550 343 HA ALA 57 HA ALA 57 1.682 20.234 1.062 344 HB1 ALA 57 HB1 ALA 57 1.104 17.453 0.001 345 HB2 ALA 57 HB2 ALA 57 0.785 18.055 1.627 346 HB3 ALA 57 HB3 ALA 57 2.446 17.834 1.080 347 H VAL 58 H VAL 58 1.215 20.164 -2.222 348 HA VAL 58 HA VAL 58 4.166 20.122 -2.697 349 HB VAL 58 HB VAL 58 3.854 18.986 -4.789 350 HG11 VAL 58 HG21 VAL 58 3.038 16.856 -4.053 351 HG12 VAL 58 HG22 VAL 58 1.990 17.603 -2.847 352 HG13 VAL 58 HG23 VAL 58 3.741 17.632 -2.634 353 HG21 VAL 58 HG11 VAL 58 1.588 18.372 -5.596 354 HG22 VAL 58 HG12 VAL 58 1.788 20.120 -5.480 355 HG23 VAL 58 HG13 VAL 58 0.882 19.253 -4.240 356 H THR 59 H THR 59 4.649 21.268 -4.875 357 HA THR 59 HA THR 59 2.700 23.450 -5.419 358 HB THR 59 HB THR 59 4.454 25.144 -5.278 359 HG1 THR 59 HG1 THR 59 6.475 24.592 -5.204 360 HG21 THR 59 HG21 THR 59 3.374 23.726 -3.107 361 HG22 THR 59 HG22 THR 59 4.066 25.349 -3.071 362 HG23 THR 59 HG23 THR 59 5.079 23.949 -2.713 363 H ARG 60 H ARG 60 3.037 24.446 -7.527 364 HA ARG 60 HA ARG 60 4.879 22.915 -9.314 365 HB2 ARG 60 HB2 ARG 60 2.007 23.705 -9.896 366 HB3 ARG 60 HB3 ARG 60 3.116 23.002 -11.073 367 HG2 ARG 60 HG2 ARG 60 3.386 21.023 -9.562 368 HG3 ARG 60 HG3 ARG 60 2.158 21.713 -8.500 369 HD2 ARG 60 HD2 ARG 60 1.777 20.935 -11.408 370 HD3 ARG 60 HD3 ARG 60 1.125 20.083 -10.009 371 HE ARG 60 HE ARG 60 0.211 22.745 -9.826 372 HH11 ARG 60 HH11 ARG 60 -0.431 19.717 -11.231 373 HH12 ARG 60 HH12 ARG 60 -1.816 20.250 -12.124 374 HH21 ARG 60 HH21 ARG 60 -1.403 23.589 -11.285 375 HH22 ARG 60 HH22 ARG 60 -2.366 22.443 -12.155 376 H LYS 61 H LYS 61 5.927 24.173 -10.857 377 HA LYS 61 HA LYS 61 5.419 27.110 -10.670 378 HB2 LYS 61 HB2 LYS 61 7.892 25.587 -11.545 379 HB3 LYS 61 HB3 LYS 61 7.740 27.344 -11.544 380 HG2 LYS 61 HG2 LYS 61 7.269 27.266 -9.096 381 HG3 LYS 61 HG3 LYS 61 7.533 25.523 -9.127 382 HD2 LYS 61 HD2 LYS 61 9.833 25.931 -10.016 383 HD3 LYS 61 HD3 LYS 61 9.559 27.664 -9.840 384 HE2 LYS 61 HE2 LYS 61 9.194 27.370 -7.423 385 HE3 LYS 61 HE3 LYS 61 9.436 25.631 -7.590 386 HZ1 LYS 61 HZ1 LYS 61 11.599 25.965 -7.390 387 HZ2 LYS 61 HZ2 LYS 61 11.370 27.646 -7.288 388 HZ3 LYS 61 HZ3 LYS 61 11.596 26.906 -8.800 389 H LYS 62 H LYS 62 4.257 27.868 -12.366 390 HA LYS 62 HA LYS 62 3.794 26.421 -14.782 391 HB2 LYS 62 HB2 LYS 62 2.353 28.281 -13.900 392 HB3 LYS 62 HB3 LYS 62 3.606 29.423 -14.389 393 HG2 LYS 62 HG2 LYS 62 3.412 28.597 -16.726 394 HG3 LYS 62 HG3 LYS 62 2.112 27.518 -16.219 395 HD2 LYS 62 HD2 LYS 62 0.853 29.536 -15.398 396 HD3 LYS 62 HD3 LYS 62 2.108 30.548 -16.111 397 HE2 LYS 62 HE2 LYS 62 0.752 28.452 -17.785 398 HE3 LYS 62 HE3 LYS 62 -0.044 30.001 -17.509 399 HZ1 LYS 62 HZ1 LYS 62 1.642 29.623 -19.487 400 HZ2 LYS 62 HZ2 LYS 62 2.766 30.059 -18.291 401 HZ3 LYS 62 HZ3 LYS 62 1.503 31.119 -18.699 402 H ASP 63 H ASP 63 6.108 29.004 -13.989 403 HA ASP 63 HA ASP 63 7.171 29.173 -16.680 404 HB2 ASP 63 HB2 ASP 63 8.315 30.040 -14.009 405 HB3 ASP 63 HB3 ASP 63 9.034 30.429 -15.571 406 H ASN 64 H ASN 64 9.030 28.172 -17.517 407 HA ASN 64 HA ASN 64 9.657 25.554 -16.582 408 HB2 ASN 64 HB3 ASN 64 10.046 26.514 -18.920 409 HB3 ASN 64 HB2 ASN 64 11.494 27.275 -18.262 410 HD21 ASN 64 HD21 ASN 64 12.634 25.771 -19.872 411 HD22 ASN 64 HD22 ASN 64 12.967 24.184 -19.371 412 H ARG 65 H ARG 65 11.275 24.802 -15.225 413 HA ARG 65 HA ARG 65 12.329 26.522 -13.222 414 HB2 ARG 65 HB2 ARG 65 13.235 23.783 -14.152 415 HB3 ARG 65 HB3 ARG 65 13.862 24.585 -12.712 416 HG2 ARG 65 HG2 ARG 65 11.507 24.762 -11.860 417 HG3 ARG 65 HG3 ARG 65 10.981 23.802 -13.243 418 HD2 ARG 65 HD2 ARG 65 12.639 22.026 -12.500 419 HD3 ARG 65 HD3 ARG 65 12.852 22.957 -11.016 420 HE ARG 65 HE ARG 65 10.908 21.835 -10.312 421 HH11 ARG 65 HH11 ARG 65 8.988 23.615 -11.443 422 HH12 ARG 65 HH12 ARG 65 8.125 22.663 -12.604 423 HH21 ARG 65 HH21 ARG 65 10.546 20.185 -12.765 424 HH22 ARG 65 HH22 ARG 65 9.007 20.721 -13.352 425 H PHE 66 H PHE 66 13.780 25.294 -16.230 426 HA PHE 66 HA PHE 66 15.840 25.846 -17.244 427 HB2 PHE 66 HB2 PHE 66 14.350 27.852 -17.637 428 HB3 PHE 66 HB3 PHE 66 15.102 28.606 -16.231 429 HD1 PHE 66 HD1 PHE 66 17.248 29.620 -16.377 430 HD2 PHE 66 HD2 PHE 66 15.812 27.158 -19.590 431 HE1 PHE 66 HE1 PHE 66 19.154 30.347 -17.785 432 HE2 PHE 66 HE2 PHE 66 17.719 27.884 -20.999 433 HZ PHE 66 HZ PHE 66 19.390 29.480 -20.096 434 H ALA 67 H ALA 67 16.305 24.806 -14.718 435 HA ALA 67 HA ALA 67 18.051 26.656 -13.239 436 HB1 ALA 67 HB1 ALA 67 18.464 24.092 -12.228 437 HB2 ALA 67 HB2 ALA 67 16.780 24.072 -12.751 438 HB3 ALA 67 HB3 ALA 67 17.329 25.284 -11.594 439 H VAL 68 H VAL 68 20.148 26.936 -13.799 440 HA VAL 68 HA VAL 68 21.526 24.693 -15.225 441 HB VAL 68 HB VAL 68 22.083 27.660 -15.516 442 HG11 VAL 68 HG11 VAL 68 22.925 25.599 -17.498 443 HG12 VAL 68 HG12 VAL 68 23.806 25.651 -15.971 444 HG13 VAL 68 HG13 VAL 68 23.743 27.080 -17.003 445 HG21 VAL 68 HG21 VAL 68 19.848 26.969 -16.414 446 HG22 VAL 68 HG22 VAL 68 20.667 25.782 -17.431 447 HG23 VAL 68 HG23 VAL 68 20.962 27.505 -17.671 448 H ALA 69 H ALA 69 23.572 24.135 -14.459 449 HA ALA 69 HA ALA 69 24.655 25.770 -12.206 450 HB1 ALA 69 HB1 ALA 69 25.374 23.460 -11.249 451 HB2 ALA 69 HB2 ALA 69 24.122 22.805 -12.303 452 HB3 ALA 69 HB3 ALA 69 23.696 23.961 -11.040 453 H LEU 70 H LEU 70 26.943 25.784 -12.072 454 HA LEU 70 HA LEU 70 28.297 24.799 -14.536 455 HB2 LEU 70 HB2 LEU 70 28.429 27.250 -13.834 456 HB3 LEU 70 HB3 LEU 70 29.413 26.712 -12.474 457 HG LEU 70 HG LEU 70 30.735 27.448 -14.504 458 HD11 LEU 70 HD21 LEU 70 31.224 25.459 -12.703 459 HD12 LEU 70 HD22 LEU 70 32.384 25.985 -13.923 460 HD13 LEU 70 HD23 LEU 70 31.371 24.573 -14.221 461 HD21 LEU 70 HD11 LEU 70 28.887 26.003 -15.907 462 HD22 LEU 70 HD12 LEU 70 30.222 24.852 -15.820 463 HD23 LEU 70 HD13 LEU 70 30.477 26.445 -16.534 464 H ASP 71 H ASP 71 29.661 23.079 -14.375 465 HA ASP 71 HA ASP 71 30.100 21.818 -11.785 466 HB2 ASP 71 HB3 ASP 71 29.868 20.714 -14.154 467 HB3 ASP 71 HB2 ASP 71 31.594 21.055 -14.279 468 H SER 72 H SER 72 31.816 22.142 -10.459 469 HA SER 72 HA SER 72 33.671 24.208 -10.718 470 HB2 SER 72 HB2 SER 72 34.138 21.550 -9.332 471 HB3 SER 72 HB3 SER 72 35.013 23.049 -9.016 472 HG SER 72 HG SER 72 33.022 22.375 -7.700 473 H GLU 73 H GLU 73 33.684 21.118 -12.302 474 HA GLU 73 HA GLU 73 36.532 21.296 -13.027 475 HB2 GLU 73 HB2 GLU 73 35.201 19.121 -12.628 476 HB3 GLU 73 HB3 GLU 73 34.502 19.406 -14.222 477 HG2 GLU 73 HG2 GLU 73 36.807 19.521 -15.170 478 HG3 GLU 73 HG3 GLU 73 37.453 19.124 -13.578 479 H GLN 74 H GLN 74 34.427 23.350 -13.892 480 HA GLN 74 HA GLN 74 34.076 24.660 -15.803 481 HB2 GLN 74 HB2 GLN 74 36.293 22.949 -16.969 482 HB3 GLN 74 HB3 GLN 74 35.716 24.485 -17.616 483 HG2 GLN 74 HG2 GLN 74 36.362 25.588 -15.474 484 HG3 GLN 74 HG3 GLN 74 37.020 24.052 -14.911 485 HE21 GLN 74 HE21 GLN 74 38.640 26.436 -15.301 486 HE22 GLN 74 HE22 GLN 74 39.768 26.071 -16.515 487 H ASN 75 H ASN 75 32.394 22.432 -15.398 488 HA ASN 75 HA ASN 75 31.944 21.534 -18.220 489 HB2 ASN 75 HB2 ASN 75 31.007 20.055 -15.754 490 HB3 ASN 75 HB3 ASN 75 31.071 19.463 -17.412 491 HD21 ASN 75 HD21 ASN 75 32.393 17.890 -15.592 492 HD22 ASN 75 HD22 ASN 75 34.069 18.057 -15.789 493 H ASN 76 H ASN 76 29.754 21.543 -18.947 494 HA ASN 76 HA ASN 76 28.041 23.445 -17.455 495 HB2 ASN 76 HB2 ASN 76 27.629 22.239 -20.206 496 HB3 ASN 76 HB3 ASN 76 26.751 23.602 -19.513 497 HD21 ASN 76 HD21 ASN 76 28.913 25.035 -18.340 498 HD22 ASN 76 HD22 ASN 76 29.902 25.616 -19.592 499 H ILE 77 H ILE 77 26.231 22.792 -16.375 500 HA ILE 77 HA ILE 77 25.307 19.980 -16.821 501 HB ILE 77 HB ILE 77 25.277 21.549 -14.224 502 HG12 ILE 77 HG12 ILE 77 26.969 19.164 -15.028 503 HG13 ILE 77 HG13 ILE 77 27.553 20.828 -14.993 504 HG21 ILE 77 HG21 ILE 77 24.131 18.958 -15.131 505 HG22 ILE 77 HG22 ILE 77 23.560 20.065 -13.883 506 HG23 ILE 77 HG23 ILE 77 24.895 18.964 -13.541 507 HD11 ILE 77 HD11 ILE 77 26.305 20.445 -12.507 508 HD12 ILE 77 HD12 ILE 77 28.041 20.515 -12.814 509 HD13 ILE 77 HD13 ILE 77 27.211 18.959 -12.795 510 H HIS 78 H HIS 78 23.166 19.790 -17.338 511 HA HIS 78 HA HIS 78 21.432 22.187 -16.880 512 HB2 HIS 78 HB2 HIS 78 21.280 20.236 -19.199 513 HB3 HIS 78 HB3 HIS 78 20.283 21.673 -18.972 514 HD1 HIS 78 HD1 HIS 78 21.868 23.977 -18.654 515 HD2 HIS 78 HD2 HIS 78 23.479 20.768 -20.772 516 HE1 HIS 78 HE1 HIS 78 23.779 24.913 -20.028 517 H VAL 79 H VAL 79 19.020 21.496 -16.987 518 HA VAL 79 HA VAL 79 18.537 19.562 -14.931 519 HB VAL 79 HB VAL 79 16.647 20.788 -16.964 520 HG11 VAL 79 HG11 VAL 79 15.166 20.138 -14.742 521 HG12 VAL 79 HG12 VAL 79 16.283 18.776 -14.841 522 HG13 VAL 79 HG13 VAL 79 15.243 19.167 -16.211 523 HG21 VAL 79 HG21 VAL 79 18.027 22.066 -15.001 524 HG22 VAL 79 HG22 VAL 79 16.606 21.544 -14.096 525 HG23 VAL 79 HG23 VAL 79 16.417 22.554 -15.530 526 H LYS 80 H LYS 80 18.538 19.368 -18.449 527 HA LYS 80 HA LYS 80 17.776 16.486 -18.234 528 HB2 LYS 80 HB2 LYS 80 16.353 17.916 -19.711 529 HB3 LYS 80 HB3 LYS 80 17.779 18.272 -20.687 530 HG2 LYS 80 HG3 LYS 80 18.063 15.822 -21.088 531 HG3 LYS 80 HG2 LYS 80 16.562 15.535 -20.209 532 HD2 LYS 80 HD2 LYS 80 15.400 17.060 -21.839 533 HD3 LYS 80 HD3 LYS 80 16.898 17.129 -22.766 534 HE2 LYS 80 HE2 LYS 80 15.885 15.359 -23.847 535 HE3 LYS 80 HE3 LYS 80 16.697 14.468 -22.559 536 HZ1 LYS 80 HZ1 LYS 80 14.765 13.930 -21.629 537 HZ2 LYS 80 HZ2 LYS 80 14.031 14.432 -23.078 538 HZ3 LYS 80 HZ3 LYS 80 14.147 15.504 -21.764 539 H ASP 81 H ASP 81 19.847 15.646 -17.754 540 HA ASP 81 HA ASP 81 21.579 15.205 -20.018 541 HB2 ASP 81 HB2 ASP 81 22.139 17.607 -19.293 542 HB3 ASP 81 HB3 ASP 81 22.826 16.887 -17.837 543 H ILE 82 H ILE 82 23.706 14.099 -19.170 544 HA ILE 82 HA ILE 82 22.862 12.224 -17.035 545 HB ILE 82 HB ILE 82 25.267 12.118 -18.881 546 HG12 ILE 82 HG12 ILE 82 22.613 10.658 -19.053 547 HG13 ILE 82 HG13 ILE 82 23.077 12.020 -20.073 548 HG21 ILE 82 HG21 ILE 82 24.034 10.177 -16.915 549 HG22 ILE 82 HG22 ILE 82 25.696 10.766 -16.962 550 HG23 ILE 82 HG23 ILE 82 25.120 9.651 -18.201 551 HD11 ILE 82 HD11 ILE 82 24.952 10.760 -20.981 552 HD12 ILE 82 HD12 ILE 82 23.486 9.796 -21.155 553 HD13 ILE 82 HD13 ILE 82 24.636 9.426 -19.873 554 H VAL 83 H VAL 83 23.941 12.076 -15.075 555 HA VAL 83 HA VAL 83 26.362 13.779 -14.706 556 HB VAL 83 HB VAL 83 24.317 14.984 -13.887 557 HG11 VAL 83 HG11 VAL 83 23.934 13.507 -11.468 558 HG12 VAL 83 HG12 VAL 83 23.755 12.394 -12.824 559 HG13 VAL 83 HG13 VAL 83 22.756 13.845 -12.736 560 HG21 VAL 83 HG21 VAL 83 26.393 15.566 -12.847 561 HG22 VAL 83 HG22 VAL 83 26.417 14.073 -11.907 562 HG23 VAL 83 HG23 VAL 83 25.241 15.334 -11.533 563 H LYS 84 H LYS 84 27.701 13.073 -12.895 564 HA LYS 84 HA LYS 84 27.075 10.295 -11.980 565 HB2 LYS 84 HB3 LYS 84 29.774 11.417 -12.793 566 HB3 LYS 84 HB2 LYS 84 29.509 9.815 -12.105 567 HG2 LYS 84 HG2 LYS 84 27.978 9.298 -14.011 568 HG3 LYS 84 HG3 LYS 84 28.378 10.863 -14.718 569 HD2 LYS 84 HD2 LYS 84 30.780 10.199 -14.745 570 HD3 LYS 84 HD3 LYS 84 30.324 8.610 -14.130 571 HE2 LYS 84 HE2 LYS 84 29.171 8.044 -16.111 572 HE3 LYS 84 HE3 LYS 84 29.065 9.725 -16.634 573 HZ1 LYS 84 HZ1 LYS 84 31.689 8.431 -16.282 574 HZ2 LYS 84 HZ2 LYS 84 31.276 9.767 -17.247 575 HZ3 LYS 84 HZ3 LYS 84 30.808 8.200 -17.712 576 H VAL 85 H VAL 85 27.872 9.771 -9.860 577 HA VAL 85 HA VAL 85 28.405 12.191 -8.190 578 HB VAL 85 HB VAL 85 27.494 9.485 -7.191 579 HG11 VAL 85 HG21 VAL 85 27.778 12.255 -6.099 580 HG12 VAL 85 HG22 VAL 85 28.122 10.706 -5.328 581 HG13 VAL 85 HG23 VAL 85 26.455 11.258 -5.495 582 HG21 VAL 85 HG11 VAL 85 25.681 9.949 -8.553 583 HG22 VAL 85 HG12 VAL 85 25.954 11.691 -8.499 584 HG23 VAL 85 HG13 VAL 85 25.221 10.869 -7.121 585 H ILE 86 H ILE 86 30.512 12.390 -7.610 586 HA ILE 86 HA ILE 86 32.035 9.885 -7.020 587 HB ILE 86 HB ILE 86 33.059 12.348 -8.467 588 HG12 ILE 86 HG12 ILE 86 32.759 9.485 -9.421 589 HG13 ILE 86 HG13 ILE 86 31.632 10.784 -9.812 590 HG21 ILE 86 HG21 ILE 86 34.383 9.950 -7.250 591 HG22 ILE 86 HG22 ILE 86 34.930 11.627 -7.293 592 HG23 ILE 86 HG23 ILE 86 35.051 10.623 -8.738 593 HD11 ILE 86 HD11 ILE 86 33.099 11.805 -11.254 594 HD12 ILE 86 HD12 ILE 86 33.730 10.164 -11.388 595 HD13 ILE 86 HD13 ILE 86 34.515 11.326 -10.318 596 H ASP 87 H ASP 87 30.709 12.496 -5.649 597 HA ASP 87 HA ASP 87 32.985 12.839 -3.735 598 HB2 ASP 87 HB2 ASP 87 30.921 14.842 -4.682 599 HB3 ASP 87 HB3 ASP 87 31.934 15.108 -3.263 600 H GLY 88 H GLY 88 32.346 13.088 -1.486 601 HA2 GLY 88 HA2 GLY 88 31.011 12.644 0.396 602 HA3 GLY 88 HA3 GLY 88 29.599 12.847 -0.641 603 HA PRO 89 HA PRO 89 29.968 8.317 0.546 604 HB2 PRO 89 HB2 PRO 89 27.388 8.049 1.303 605 HB3 PRO 89 HB3 PRO 89 28.660 8.583 2.403 606 HG2 PRO 89 HG2 PRO 89 26.638 10.208 0.909 607 HG3 PRO 89 HG3 PRO 89 27.174 10.371 2.583 608 HD2 PRO 89 HD3 PRO 89 28.098 11.979 0.614 609 HD3 PRO 89 HD2 PRO 89 29.097 11.510 1.991 610 H HIS 90 H HIS 90 28.090 10.240 -1.604 611 HA HIS 90 HA HIS 90 26.804 7.922 -2.899 612 HB2 HIS 90 HB2 HIS 90 26.859 10.867 -3.633 613 HB3 HIS 90 HB3 HIS 90 25.916 9.638 -4.475 614 HD1 HIS 90 HD1 HIS 90 26.057 11.601 -1.290 615 HD2 HIS 90 HD2 HIS 90 23.672 8.640 -3.002 616 HE1 HIS 90 HE1 HIS 90 23.974 11.444 0.140 617 H SER 91 H SER 91 29.710 9.717 -3.090 618 HA SER 91 HA SER 91 30.499 9.721 -5.730 619 HB2 SER 91 HB2 SER 91 31.955 10.430 -3.876 620 HB3 SER 91 HB3 SER 91 32.145 8.751 -3.374 621 HG SER 91 HG SER 91 33.634 8.558 -4.816 622 H GLY 92 H GLY 92 30.927 8.194 -7.285 623 HA2 GLY 92 HA2 GLY 92 31.657 5.992 -8.011 624 HA3 GLY 92 HA3 GLY 92 31.160 5.348 -6.447 625 H ARG 93 H ARG 93 28.773 7.446 -7.359 626 HA ARG 93 HA ARG 93 27.212 5.234 -8.632 627 HB2 ARG 93 HB2 ARG 93 26.300 7.503 -6.839 628 HB3 ARG 93 HB3 ARG 93 25.204 6.395 -7.666 629 HG2 ARG 93 HG2 ARG 93 26.346 4.486 -6.524 630 HG3 ARG 93 HG3 ARG 93 27.324 5.649 -5.629 631 HD2 ARG 93 HD2 ARG 93 25.174 6.680 -4.794 632 HD3 ARG 93 HD3 ARG 93 24.312 5.329 -5.530 633 HE ARG 93 HE ARG 93 25.644 5.225 -3.013 634 HH11 ARG 93 HH11 ARG 93 27.658 3.533 -3.949 635 HH12 ARG 93 HH12 ARG 93 26.931 1.971 -4.127 636 HH21 ARG 93 HH21 ARG 93 23.684 3.186 -4.113 637 HH22 ARG 93 HH22 ARG 93 24.682 1.775 -4.219 638 H GLU 94 H GLU 94 25.862 5.784 -10.407 639 HA GLU 94 HA GLU 94 26.259 8.538 -11.505 640 HB2 GLU 94 HB2 GLU 94 26.247 5.933 -13.062 641 HB3 GLU 94 HB3 GLU 94 26.377 7.547 -13.763 642 HG2 GLU 94 HG2 GLU 94 28.464 7.921 -12.475 643 HG3 GLU 94 HG3 GLU 94 28.340 6.287 -11.822 644 H GLY 95 H GLY 95 24.478 9.287 -12.856 645 HA2 GLY 95 HA2 GLY 95 22.062 7.670 -13.094 646 HA3 GLY 95 HA3 GLY 95 21.918 8.942 -11.882 647 H GLU 96 H GLU 96 20.176 9.401 -13.728 648 HA GLU 96 HA GLU 96 21.430 11.121 -15.825 649 HB2 GLU 96 HB2 GLU 96 19.876 9.302 -16.581 650 HB3 GLU 96 HB3 GLU 96 18.582 10.084 -15.673 651 HG2 GLU 96 HG2 GLU 96 18.941 12.156 -17.009 652 HG3 GLU 96 HG3 GLU 96 20.163 11.306 -17.956 653 H ILE 97 H ILE 97 20.971 13.306 -15.857 654 HA ILE 97 HA ILE 97 19.786 14.471 -13.462 655 HB ILE 97 HB ILE 97 20.775 15.740 -16.032 656 HG12 ILE 97 HG12 ILE 97 22.018 15.588 -13.270 657 HG13 ILE 97 HG13 ILE 97 22.494 14.585 -14.641 658 HG21 ILE 97 HG21 ILE 97 20.815 17.572 -13.888 659 HG22 ILE 97 HG22 ILE 97 19.227 16.809 -13.835 660 HG23 ILE 97 HG23 ILE 97 19.768 17.619 -15.305 661 HD11 ILE 97 HD11 ILE 97 22.443 17.322 -15.494 662 HD12 ILE 97 HD12 ILE 97 23.828 16.232 -15.400 663 HD13 ILE 97 HD13 ILE 97 23.385 17.218 -14.005 664 H ARG 98 H ARG 98 17.596 14.375 -13.276 665 HA ARG 98 HA ARG 98 15.942 14.848 -15.712 666 HB2 ARG 98 HB2 ARG 98 15.309 13.645 -13.005 667 HB3 ARG 98 HB3 ARG 98 14.064 14.044 -14.188 668 HG2 ARG 98 HG2 ARG 98 15.379 12.623 -15.852 669 HG3 ARG 98 HG3 ARG 98 16.327 12.057 -14.478 670 HD2 ARG 98 HD2 ARG 98 14.616 10.443 -14.666 671 HD3 ARG 98 HD3 ARG 98 14.032 11.513 -13.392 672 HE ARG 98 HE ARG 98 12.255 12.103 -14.818 673 HH11 ARG 98 HH11 ARG 98 13.343 13.435 -17.025 674 HH12 ARG 98 HH12 ARG 98 13.219 12.334 -18.356 675 HH21 ARG 98 HH21 ARG 98 12.767 9.543 -16.348 676 HH22 ARG 98 HH22 ARG 98 12.892 10.130 -17.973 677 H HIS 99 H HIS 99 16.070 15.773 -12.256 678 HA HIS 99 HA HIS 99 14.870 18.399 -13.054 679 HB2 HIS 99 HB2 HIS 99 14.655 17.584 -10.214 680 HB3 HIS 99 HB3 HIS 99 13.462 18.358 -11.252 681 HD1 HIS 99 HD1 HIS 99 13.008 16.368 -13.442 682 HD2 HIS 99 HD2 HIS 99 13.514 15.182 -9.478 683 HE1 HIS 99 HE1 HIS 99 11.964 14.068 -13.242 684 H LEU 100 H LEU 100 16.217 20.114 -12.686 685 HA LEU 100 HA LEU 100 18.544 19.641 -10.869 686 HB2 LEU 100 HB3 LEU 100 19.117 20.108 -13.241 687 HB3 LEU 100 HB2 LEU 100 18.272 21.651 -13.124 688 HG LEU 100 HG LEU 100 19.814 22.179 -11.149 689 HD11 LEU 100 HD11 LEU 100 20.480 19.571 -11.251 690 HD12 LEU 100 HD12 LEU 100 21.580 20.802 -10.632 691 HD13 LEU 100 HD13 LEU 100 21.749 20.223 -12.289 692 HD21 LEU 100 HD21 LEU 100 20.335 22.198 -14.015 693 HD22 LEU 100 HD22 LEU 100 21.832 22.150 -13.085 694 HD23 LEU 100 HD23 LEU 100 20.665 23.446 -12.813 695 H PHE 101 H PHE 101 18.818 20.976 -9.133 696 HA PHE 101 HA PHE 101 16.883 23.238 -8.851 697 HB2 PHE 101 HB2 PHE 101 16.634 21.316 -7.229 698 HB3 PHE 101 HB3 PHE 101 18.242 21.703 -6.618 699 HD1 PHE 101 HD1 PHE 101 18.499 23.329 -4.947 700 HD2 PHE 101 HD2 PHE 101 14.906 23.263 -7.297 701 HE1 PHE 101 HE1 PHE 101 17.525 25.096 -3.505 702 HE2 PHE 101 HE2 PHE 101 13.930 25.031 -5.857 703 HZ PHE 101 HZ PHE 101 15.241 25.948 -3.960 704 H ARG 102 H ARG 102 17.708 25.228 -8.135 705 HA ARG 102 HA ARG 102 20.148 26.151 -8.968 706 HB2 ARG 102 HB2 ARG 102 18.659 26.962 -6.459 707 HB3 ARG 102 HB3 ARG 102 20.000 27.878 -7.145 708 HG2 ARG 102 HG2 ARG 102 18.703 27.967 -9.318 709 HG3 ARG 102 HG3 ARG 102 17.331 27.278 -8.449 710 HD2 ARG 102 HD3 ARG 102 17.467 29.184 -6.829 711 HD3 ARG 102 HD2 ARG 102 18.737 29.894 -7.828 712 HE ARG 102 HE ARG 102 16.809 29.654 -9.675 713 HH11 ARG 102 HH11 ARG 102 17.121 32.295 -8.345 714 HH12 ARG 102 HH12 ARG 102 15.541 32.577 -7.695 715 HH21 ARG 102 HH21 ARG 102 14.541 29.270 -7.982 716 HH22 ARG 102 HH22 ARG 102 14.081 30.865 -7.489 717 H SER 103 H SER 103 19.563 24.595 -5.805 718 HA SER 103 HA SER 103 22.536 24.452 -5.490 719 HB2 SER 103 HB2 SER 103 20.318 24.866 -3.515 720 HB3 SER 103 HB3 SER 103 21.797 24.064 -2.988 721 HG SER 103 HG SER 103 21.348 26.679 -3.539 722 H PHE 104 H PHE 104 19.782 22.610 -6.104 723 HA PHE 104 HA PHE 104 21.242 20.150 -5.240 724 HB2 PHE 104 HB3 PHE 104 18.283 20.738 -4.953 725 HB3 PHE 104 HB2 PHE 104 18.991 19.136 -4.741 726 HD1 PHE 104 HD1 PHE 104 20.580 18.699 -2.886 727 HD2 PHE 104 HD2 PHE 104 18.581 22.475 -3.308 728 HE1 PHE 104 HE1 PHE 104 21.182 19.278 -0.550 729 HE2 PHE 104 HE2 PHE 104 19.181 23.056 -0.974 730 HZ PHE 104 HZ PHE 104 20.482 21.457 0.406 731 H ALA 105 H ALA 105 20.051 18.169 -6.374 732 HA ALA 105 HA ALA 105 18.941 18.802 -9.012 733 HB1 ALA 105 HB1 ALA 105 21.501 19.004 -9.183 734 HB2 ALA 105 HB2 ALA 105 20.710 17.932 -10.340 735 HB3 ALA 105 HB3 ALA 105 21.538 17.258 -8.935 736 H PHE 106 H PHE 106 17.478 17.221 -9.440 737 HA PHE 106 HA PHE 106 17.579 14.727 -7.852 738 HB2 PHE 106 HB2 PHE 106 15.494 15.999 -9.635 739 HB3 PHE 106 HB3 PHE 106 15.320 14.349 -9.034 740 HD1 PHE 106 HD1 PHE 106 15.955 17.857 -7.888 741 HD2 PHE 106 HD2 PHE 106 14.464 13.956 -6.879 742 HE1 PHE 106 HE1 PHE 106 15.128 18.733 -5.720 743 HE2 PHE 106 HE2 PHE 106 13.638 14.833 -4.711 744 HZ PHE 106 HZ PHE 106 13.970 17.222 -4.132 745 H LEU 107 H LEU 107 18.189 12.780 -8.729 746 HA LEU 107 HA LEU 107 18.665 12.727 -11.685 747 HB2 LEU 107 HB3 LEU 107 20.080 11.150 -9.512 748 HB3 LEU 107 HB2 LEU 107 20.443 11.091 -11.236 749 HG LEU 107 HG LEU 107 22.038 12.595 -10.274 750 HD11 LEU 107 HD21 LEU 107 21.540 14.666 -11.419 751 HD12 LEU 107 HD22 LEU 107 19.809 14.333 -11.366 752 HD13 LEU 107 HD23 LEU 107 20.865 13.349 -12.378 753 HD21 LEU 107 HD11 LEU 107 20.188 14.571 -9.170 754 HD22 LEU 107 HD12 LEU 107 21.622 13.850 -8.440 755 HD23 LEU 107 HD13 LEU 107 20.072 13.014 -8.349 756 H HIS 108 H HIS 108 18.579 10.402 -12.563 757 HA HIS 108 HA HIS 108 16.483 8.812 -11.148 758 HB2 HIS 108 HB2 HIS 108 15.325 9.979 -12.919 759 HB3 HIS 108 HB3 HIS 108 16.580 9.558 -14.085 760 HD1 HIS 108 HD1 HIS 108 15.522 7.896 -15.628 761 HD2 HIS 108 HD2 HIS 108 14.622 7.089 -11.638 762 HE1 HIS 108 HE1 HIS 108 14.239 5.712 -15.610 763 H CYS 109 H CYS 109 17.064 6.692 -10.952 764 HA CYS 109 HA CYS 109 19.247 5.699 -12.743 765 HB2 CYS 109 HB3 CYS 109 19.912 6.010 -10.338 766 HB3 CYS 109 HB2 CYS 109 18.687 4.821 -9.896 767 HG CYS 109 HG CYS 109 20.345 3.501 -11.944 768 H LYS 110 H LYS 110 18.202 4.415 -14.215 769 HA LYS 110 HA LYS 110 15.754 3.031 -13.758 770 HB2 LYS 110 HB2 LYS 110 17.988 2.432 -15.723 771 HB3 LYS 110 HB3 LYS 110 16.379 1.712 -15.783 772 HG2 LYS 110 HG3 LYS 110 15.398 3.995 -15.964 773 HG3 LYS 110 HG2 LYS 110 17.028 4.668 -15.997 774 HD2 LYS 110 HD2 LYS 110 17.518 3.303 -18.022 775 HD3 LYS 110 HD3 LYS 110 15.852 2.724 -18.007 776 HE2 LYS 110 HE2 LYS 110 15.543 5.467 -17.832 777 HE3 LYS 110 HE3 LYS 110 16.925 5.300 -18.914 778 HZ1 LYS 110 HZ1 LYS 110 15.056 5.202 -20.288 779 HZ2 LYS 110 HZ2 LYS 110 14.204 4.184 -19.228 780 HZ3 LYS 110 HZ3 LYS 110 15.526 3.582 -20.111 781 H LYS 111 H LYS 111 19.087 2.175 -13.078 782 HA LYS 111 HA LYS 111 18.793 -0.631 -12.752 783 HB2 LYS 111 HB3 LYS 111 20.972 0.599 -12.714 784 HB3 LYS 111 HB2 LYS 111 20.553 1.221 -11.117 785 HG2 LYS 111 HG2 LYS 111 20.349 -1.123 -10.296 786 HG3 LYS 111 HG3 LYS 111 20.867 -1.698 -11.880 787 HD2 LYS 111 HD3 LYS 111 22.972 -0.351 -11.605 788 HD3 LYS 111 HD2 LYS 111 22.463 0.020 -9.958 789 HE2 LYS 111 HE3 LYS 111 22.318 -2.464 -9.534 790 HE3 LYS 111 HE2 LYS 111 23.050 -2.717 -11.117 791 HZ1 LYS 111 HZ1 LYS 111 24.526 -0.803 -9.655 792 HZ2 LYS 111 HZ2 LYS 111 25.039 -2.297 -10.278 793 HZ3 LYS 111 HZ3 LYS 111 24.349 -2.211 -8.727 794 H LEU 112 H LEU 112 17.905 2.053 -10.661 795 HA LEU 112 HA LEU 112 17.080 0.128 -8.542 796 HB2 LEU 112 HB3 LEU 112 18.472 2.226 -8.027 797 HB3 LEU 112 HB2 LEU 112 17.004 3.144 -8.362 798 HG LEU 112 HG LEU 112 16.840 0.816 -6.483 799 HD11 LEU 112 HD11 LEU 112 17.630 2.076 -4.624 800 HD12 LEU 112 HD12 LEU 112 17.667 3.572 -5.557 801 HD13 LEU 112 HD13 LEU 112 18.848 2.303 -5.878 802 HD21 LEU 112 HD21 LEU 112 14.855 1.774 -5.921 803 HD22 LEU 112 HD22 LEU 112 15.050 2.672 -7.427 804 HD23 LEU 112 HD23 LEU 112 15.543 3.397 -5.897 805 H VAL 113 H VAL 113 14.969 -0.466 -8.499 806 HA VAL 113 HA VAL 113 12.970 1.420 -9.686 807 HB VAL 113 HB VAL 113 12.831 -1.609 -9.679 808 HG11 VAL 113 HG21 VAL 113 11.113 0.589 -10.848 809 HG12 VAL 113 HG22 VAL 113 10.626 -0.695 -9.741 810 HG13 VAL 113 HG23 VAL 113 11.027 -1.079 -11.415 811 HG21 VAL 113 HG11 VAL 113 14.620 -0.894 -11.162 812 HG22 VAL 113 HG12 VAL 113 13.589 0.353 -11.863 813 HG23 VAL 113 HG13 VAL 113 13.228 -1.349 -12.144 814 H GLU 114 H GLU 114 14.042 0.249 -6.834 815 HA GLU 114 HA GLU 114 11.616 -0.640 -5.558 816 HB2 GLU 114 HB2 GLU 114 13.909 -1.053 -4.649 817 HB3 GLU 114 HB3 GLU 114 14.040 0.668 -4.287 818 HG2 GLU 114 HG3 GLU 114 11.972 0.469 -2.879 819 HG3 GLU 114 HG2 GLU 114 12.008 -1.274 -3.149 820 H ASN 115 H ASN 115 13.104 2.524 -6.056 821 HA ASN 115 HA ASN 115 10.584 3.752 -5.030 822 HB2 ASN 115 HB2 ASN 115 13.416 4.689 -4.475 823 HB3 ASN 115 HB3 ASN 115 11.961 5.599 -4.067 824 HD21 ASN 115 HD21 ASN 115 13.660 4.833 -1.971 825 HD22 ASN 115 HD22 ASN 115 12.958 3.574 -1.074 826 H GLY 116 H GLY 116 11.633 3.132 -7.761 827 HA2 GLY 116 HA2 GLY 116 11.347 4.264 -9.824 828 HA3 GLY 116 HA3 GLY 116 11.101 5.764 -8.930 829 H GLY 117 H GLY 117 13.861 4.158 -7.835 830 HA2 GLY 117 HA2 GLY 117 16.130 4.754 -7.984 831 HA3 GLY 117 HA3 GLY 117 15.853 4.716 -9.726 832 H MET 118 H MET 118 14.143 6.921 -7.589 833 HA MET 118 HA MET 118 15.474 9.178 -9.007 834 HB2 MET 118 HB2 MET 118 12.928 9.120 -7.355 835 HB3 MET 118 HB3 MET 118 13.556 10.523 -8.221 836 HG2 MET 118 HG2 MET 118 12.694 7.890 -9.459 837 HG3 MET 118 HG3 MET 118 11.834 9.425 -9.573 838 HE1 MET 118 HE1 MET 118 13.094 11.484 -9.947 839 HE2 MET 118 HE2 MET 118 12.611 11.369 -11.638 840 HE3 MET 118 HE3 MET 118 14.282 11.748 -11.231 841 H PHE 119 H PHE 119 17.133 10.083 -7.893 842 HA PHE 119 HA PHE 119 16.780 10.508 -4.965 843 HB2 PHE 119 HB3 PHE 119 19.085 9.823 -4.535 844 HB3 PHE 119 HB2 PHE 119 18.223 8.501 -5.321 845 HD1 PHE 119 HD1 PHE 119 20.864 11.012 -5.656 846 HD2 PHE 119 HD2 PHE 119 18.605 7.994 -7.716 847 HE1 PHE 119 HE1 PHE 119 22.531 11.017 -7.493 848 HE2 PHE 119 HE2 PHE 119 20.272 7.999 -9.551 849 HZ PHE 119 HZ PHE 119 22.236 9.510 -9.440 850 H VAL 120 H VAL 120 17.820 12.409 -4.195 851 HA VAL 120 HA VAL 120 18.913 14.170 -6.353 852 HB VAL 120 HB VAL 120 16.734 14.988 -5.654 853 HG11 VAL 120 HG11 VAL 120 17.524 13.929 -3.149 854 HG12 VAL 120 HG12 VAL 120 15.985 14.692 -3.551 855 HG13 VAL 120 HG13 VAL 120 17.311 15.663 -2.910 856 HG21 VAL 120 HG21 VAL 120 17.492 17.181 -4.526 857 HG22 VAL 120 HG22 VAL 120 18.221 16.787 -6.083 858 HG23 VAL 120 HG23 VAL 120 19.120 16.506 -4.592 859 H CYS 121 H CYS 121 20.666 15.529 -5.763 860 HA CYS 121 HA CYS 121 21.782 15.241 -3.035 861 HB2 CYS 121 HB3 CYS 121 22.693 13.483 -4.814 862 HB3 CYS 121 HB2 CYS 121 23.677 14.857 -5.320 863 HG CYS 121 HG CYS 121 23.750 14.348 -2.295 864 H LYS 122 H LYS 122 23.837 16.723 -2.914 865 HA LYS 122 HA LYS 122 23.038 19.341 -3.916 866 HB2 LYS 122 HB2 LYS 122 25.428 18.375 -2.326 867 HB3 LYS 122 HB3 LYS 122 25.199 20.062 -2.787 868 HG2 LYS 122 HG2 LYS 122 22.913 19.933 -1.682 869 HG3 LYS 122 HG3 LYS 122 23.400 18.366 -1.036 870 HD2 LYS 122 HD2 LYS 122 25.415 19.490 -0.027 871 HD3 LYS 122 HD3 LYS 122 24.746 21.038 -0.543 872 HE2 LYS 122 HE2 LYS 122 22.601 20.267 0.721 873 HE3 LYS 122 HE3 LYS 122 23.673 19.110 1.510 874 HZ1 LYS 122 HZ1 LYS 122 25.144 21.151 1.923 875 HZ2 LYS 122 HZ2 LYS 122 23.760 20.949 2.886 876 HZ3 LYS 122 HZ3 LYS 122 23.748 22.057 1.598 877 H THR 123 H THR 123 23.560 20.055 -5.916 878 HA THR 123 HA THR 123 25.026 18.774 -7.868 879 HB THR 123 HB THR 123 25.329 20.938 -8.957 880 HG1 THR 123 HG1 THR 123 24.437 22.176 -6.591 881 HG21 THR 123 HG21 THR 123 22.847 21.790 -7.912 882 HG22 THR 123 HG22 THR 123 22.852 20.030 -7.788 883 HG23 THR 123 HG23 THR 123 23.120 20.806 -9.350 884 H ARG 124 H ARG 124 26.291 20.533 -5.118 885 HA ARG 124 HA ARG 124 28.954 20.966 -5.997 886 HB2 ARG 124 HB3 ARG 124 28.038 21.854 -3.865 887 HB3 ARG 124 HB2 ARG 124 28.026 20.218 -3.206 888 HG2 ARG 124 HG2 ARG 124 30.484 20.078 -3.587 889 HG3 ARG 124 HG3 ARG 124 30.468 21.747 -4.156 890 HD2 ARG 124 HD2 ARG 124 29.544 22.460 -1.957 891 HD3 ARG 124 HD3 ARG 124 29.654 20.792 -1.394 892 HE ARG 124 HE ARG 124 31.847 21.464 -0.819 893 HH11 ARG 124 HH11 ARG 124 32.063 24.153 -1.814 894 HH12 ARG 124 HH12 ARG 124 33.147 24.030 -3.159 895 HH21 ARG 124 HH21 ARG 124 32.777 20.598 -3.486 896 HH22 ARG 124 HH22 ARG 124 33.551 22.018 -4.106 897 H HIS 125 H HIS 125 27.413 18.077 -4.628 898 HA HIS 125 HA HIS 125 29.957 16.583 -4.796 899 HB2 HIS 125 HB2 HIS 125 27.174 15.714 -3.954 900 HB3 HIS 125 HB3 HIS 125 28.620 14.710 -3.857 901 HD1 HIS 125 HD1 HIS 125 27.151 15.385 -1.261 902 HD2 HIS 125 HD2 HIS 125 30.247 17.719 -2.792 903 HE1 HIS 125 HE1 HIS 125 28.101 16.686 0.694 904 H LEU 126 H LEU 126 27.535 17.438 -6.921 905 HA LEU 126 HA LEU 126 27.578 14.871 -8.404 906 HB2 LEU 126 HB2 LEU 126 26.110 17.451 -9.030 907 HB3 LEU 126 HB3 LEU 126 25.867 15.892 -9.820 908 HG LEU 126 HG LEU 126 25.328 16.561 -6.911 909 HD11 LEU 126 HD11 LEU 126 23.021 15.601 -7.787 910 HD12 LEU 126 HD12 LEU 126 23.655 16.099 -9.356 911 HD13 LEU 126 HD13 LEU 126 23.448 17.288 -8.070 912 HD21 LEU 126 HD21 LEU 126 25.741 14.374 -6.521 913 HD22 LEU 126 HD22 LEU 126 25.905 14.030 -8.243 914 HD23 LEU 126 HD23 LEU 126 24.310 14.027 -7.491 915 H VAL 127 H VAL 127 28.435 14.721 -10.523 916 HA VAL 127 HA VAL 127 30.056 17.065 -11.425 917 HB VAL 127 HB VAL 127 31.852 15.545 -12.083 918 HG11 VAL 127 HG11 VAL 127 31.819 14.400 -9.508 919 HG12 VAL 127 HG12 VAL 127 30.940 15.922 -9.359 920 HG13 VAL 127 HG13 VAL 127 32.590 15.914 -9.985 921 HG21 VAL 127 HG21 VAL 127 31.451 13.355 -12.420 922 HG22 VAL 127 HG22 VAL 127 29.781 13.608 -11.916 923 HG23 VAL 127 HG23 VAL 127 31.002 13.155 -10.727 924 H LEU 128 H LEU 128 30.358 17.164 -13.750 925 HA LEU 128 HA LEU 128 28.079 16.009 -15.211 926 HB2 LEU 128 HB2 LEU 128 29.000 18.417 -15.454 927 HB3 LEU 128 HB3 LEU 128 30.281 17.683 -16.418 928 HG LEU 128 HG LEU 128 28.368 18.473 -17.815 929 HD11 LEU 128 HD21 LEU 128 28.539 16.679 -19.247 930 HD12 LEU 128 HD22 LEU 128 28.223 15.499 -17.975 931 HD13 LEU 128 HD23 LEU 128 29.820 16.234 -18.120 932 HD21 LEU 128 HD11 LEU 128 26.846 17.369 -15.740 933 HD22 LEU 128 HD12 LEU 128 26.587 16.281 -17.104 934 HD23 LEU 128 HD13 LEU 128 26.230 18.001 -17.267 935 H ALA 129 H ALA 129 28.226 14.184 -16.420 936 HA ALA 129 HA ALA 129 30.609 12.606 -16.510 937 HB1 ALA 129 HB1 ALA 129 28.303 12.395 -18.456 938 HB2 ALA 129 HB2 ALA 129 28.198 11.806 -16.798 939 HB3 ALA 129 HB3 ALA 129 29.377 11.108 -17.909 940 H GLY 130 H GLY 130 32.224 12.467 -18.049 941 HA2 GLY 130 HA2 GLY 130 32.513 12.895 -20.635 942 HA3 GLY 130 HA3 GLY 130 32.194 14.564 -20.161 Start of MODEL 13 1 H GLN 16 H GLN 16 -3.432 10.557 -12.700 2 HA GLN 16 HA GLN 16 -4.770 12.654 -14.334 3 HB2 GLN 16 HB2 GLN 16 -5.814 11.825 -12.176 4 HB3 GLN 16 HB3 GLN 16 -4.456 12.559 -11.323 5 HG2 GLN 16 HG2 GLN 16 -5.029 14.754 -12.221 6 HG3 GLN 16 HG3 GLN 16 -6.316 14.050 -13.200 7 HE21 GLN 16 HE21 GLN 16 -7.180 15.995 -11.490 8 HE22 GLN 16 HE22 GLN 16 -7.936 15.344 -10.117 9 H HIS 17 H HIS 17 -1.981 12.101 -12.224 10 HA HIS 17 HA HIS 17 -1.024 14.857 -12.827 11 HB2 HIS 17 HB2 HIS 17 -0.168 12.803 -10.772 12 HB3 HIS 17 HB3 HIS 17 0.705 14.306 -11.051 13 HD1 HIS 17 HD1 HIS 17 -3.073 13.893 -11.028 14 HD2 HIS 17 HD2 HIS 17 -0.077 15.740 -8.794 15 HE1 HIS 17 HE1 HIS 17 -4.246 15.330 -9.305 16 H GLU 18 H GLU 18 1.743 14.357 -12.546 17 HA GLU 18 HA GLU 18 2.283 12.500 -14.826 18 HB2 GLU 18 HB2 GLU 18 3.556 15.209 -14.325 19 HB3 GLU 18 HB3 GLU 18 3.985 14.099 -15.629 20 HG2 GLU 18 HG2 GLU 18 1.662 14.234 -16.488 21 HG3 GLU 18 HG3 GLU 18 1.264 15.376 -15.203 22 H TRP 19 H TRP 19 4.749 12.009 -14.902 23 HA TRP 19 HA TRP 19 5.618 11.436 -12.105 24 HB2 TRP 19 HB3 TRP 19 5.262 9.574 -13.867 25 HB3 TRP 19 HB2 TRP 19 6.751 10.169 -14.598 26 HD1 TRP 19 HD1 TRP 19 5.450 8.777 -11.250 27 HE1 TRP 19 HE1 TRP 19 7.419 7.656 -10.021 28 HE3 TRP 19 HE3 TRP 19 9.265 9.955 -14.433 29 HZ2 TRP 19 HZ2 TRP 19 10.239 7.302 -10.343 30 HZ3 TRP 19 HZ3 TRP 19 11.580 9.214 -13.949 31 HH2 TRP 19 HH2 TRP 19 12.071 7.892 -11.910 32 H GLY 20 H GLY 20 7.563 12.248 -11.369 33 HA2 GLY 20 HA3 GLY 20 9.768 13.161 -11.570 34 HA3 GLY 20 HA2 GLY 20 9.500 13.364 -13.301 35 H GLU 21 H GLU 21 6.818 14.464 -11.597 36 HA GLU 21 HA GLU 21 7.285 17.205 -12.348 37 HB2 GLU 21 HB3 GLU 21 5.020 16.164 -12.091 38 HB3 GLU 21 HB2 GLU 21 5.272 16.139 -10.346 39 HG2 GLU 21 HG2 GLU 21 5.577 18.601 -10.371 40 HG3 GLU 21 HG3 GLU 21 5.277 18.610 -12.109 41 H LEU 22 H LEU 22 9.108 18.081 -11.363 42 HA LEU 22 HA LEU 22 9.800 17.710 -8.596 43 HB2 LEU 22 HB2 LEU 22 11.414 18.470 -10.327 44 HB3 LEU 22 HB3 LEU 22 10.523 19.982 -10.481 45 HG LEU 22 HG LEU 22 12.594 20.016 -8.964 46 HD11 LEU 22 HD11 LEU 22 11.662 21.791 -7.887 47 HD12 LEU 22 HD12 LEU 22 10.326 20.829 -7.256 48 HD13 LEU 22 HD13 LEU 22 10.268 21.442 -8.909 49 HD21 LEU 22 HD21 LEU 22 12.648 18.810 -7.033 50 HD22 LEU 22 HD22 LEU 22 11.505 17.771 -7.881 51 HD23 LEU 22 HD23 LEU 22 10.916 18.992 -6.755 52 H VAL 23 H VAL 23 9.062 18.820 -6.791 53 HA VAL 23 HA VAL 23 7.424 21.270 -7.246 54 HB VAL 23 HB VAL 23 5.751 20.471 -5.631 55 HG11 VAL 23 HG21 VAL 23 6.332 19.192 -8.195 56 HG12 VAL 23 HG22 VAL 23 4.794 19.774 -7.557 57 HG13 VAL 23 HG23 VAL 23 5.371 18.162 -7.133 58 HG21 VAL 23 HG11 VAL 23 7.622 18.900 -4.588 59 HG22 VAL 23 HG12 VAL 23 6.938 17.723 -5.710 60 HG23 VAL 23 HG13 VAL 23 5.916 18.466 -4.479 61 H GLN 24 H GLN 24 7.136 22.522 -5.186 62 HA GLN 24 HA GLN 24 9.537 22.170 -3.438 63 HB2 GLN 24 HB2 GLN 24 9.562 24.272 -4.704 64 HB3 GLN 24 HB3 GLN 24 7.955 24.673 -4.097 65 HG2 GLN 24 HG2 GLN 24 8.794 24.767 -1.811 66 HG3 GLN 24 HG3 GLN 24 10.388 24.226 -2.341 67 HE21 GLN 24 HE21 GLN 24 10.859 26.474 -1.190 68 HE22 GLN 24 HE22 GLN 24 10.913 27.806 -2.238 69 H LEU 25 H LEU 25 8.905 21.201 -1.566 70 HA LEU 25 HA LEU 25 6.188 21.404 -0.556 71 HB2 LEU 25 HB2 LEU 25 8.689 20.366 0.812 72 HB3 LEU 25 HB3 LEU 25 7.028 20.081 1.332 73 HG LEU 25 HG LEU 25 8.114 19.269 -1.379 74 HD11 LEU 25 HD11 LEU 25 7.438 17.068 0.347 75 HD12 LEU 25 HD12 LEU 25 8.612 18.103 1.159 76 HD13 LEU 25 HD13 LEU 25 8.983 17.425 -0.426 77 HD21 LEU 25 HD21 LEU 25 5.799 17.859 -0.298 78 HD22 LEU 25 HD22 LEU 25 5.995 18.650 -1.862 79 HD23 LEU 25 HD23 LEU 25 5.502 19.590 -0.455 80 H ASP 26 H ASP 26 9.338 22.766 0.437 81 HA ASP 26 HA ASP 26 7.803 24.802 1.998 82 HB2 ASP 26 HB3 ASP 26 10.519 24.160 2.983 83 HB3 ASP 26 HB2 ASP 26 9.039 24.464 3.890 84 HA PRO 27 HA PRO 27 10.290 27.896 0.023 85 HB2 PRO 27 HB3 PRO 27 11.256 29.445 2.018 86 HB3 PRO 27 HB2 PRO 27 9.561 29.461 1.523 87 HG2 PRO 27 HG2 PRO 27 10.854 28.054 3.829 88 HG3 PRO 27 HG3 PRO 27 9.328 28.943 3.782 89 HD2 PRO 27 HD2 PRO 27 9.427 26.243 3.687 90 HD3 PRO 27 HD3 PRO 27 8.174 27.166 2.859 91 H GLN 28 H GLN 28 11.757 25.571 1.942 92 HA GLN 28 HA GLN 28 14.416 26.283 0.825 93 HB2 GLN 28 HB2 GLN 28 13.882 25.589 3.729 94 HB3 GLN 28 HB3 GLN 28 15.485 25.727 3.005 95 HG2 GLN 28 HG3 GLN 28 15.033 28.074 2.423 96 HG3 GLN 28 HG2 GLN 28 13.412 27.941 3.105 97 HE21 GLN 28 HE21 GLN 28 15.406 29.804 4.101 98 HE22 GLN 28 HE22 GLN 28 15.810 29.338 5.682 99 H THR 29 H THR 29 12.056 24.094 0.842 100 HA THR 29 HA THR 29 13.988 21.837 0.577 101 HB THR 29 HB THR 29 11.286 21.650 1.946 102 HG1 THR 29 HG1 THR 29 12.342 22.038 3.700 103 HG21 THR 29 HG21 THR 29 13.443 19.659 1.254 104 HG22 THR 29 HG22 THR 29 11.713 19.567 0.916 105 HG23 THR 29 HG23 THR 29 12.302 19.361 2.566 106 H VAL 30 H VAL 30 13.691 20.746 -1.313 107 HA VAL 30 HA VAL 30 11.163 21.288 -2.818 108 HB VAL 30 HB VAL 30 12.515 20.761 -4.855 109 HG11 VAL 30 HG21 VAL 30 13.454 22.955 -2.993 110 HG12 VAL 30 HG22 VAL 30 12.288 23.080 -4.311 111 HG13 VAL 30 HG23 VAL 30 13.997 22.831 -4.667 112 HG21 VAL 30 HG11 VAL 30 14.177 19.356 -3.491 113 HG22 VAL 30 HG12 VAL 30 14.918 20.886 -3.023 114 HG23 VAL 30 HG13 VAL 30 14.869 20.412 -4.722 115 H GLY 31 H GLY 31 10.383 19.457 -4.164 116 HA2 GLY 31 HA2 GLY 31 11.406 16.783 -3.482 117 HA3 GLY 31 HA3 GLY 31 9.778 17.136 -2.903 118 H VAL 32 H VAL 32 10.918 15.305 -5.114 119 HA VAL 32 HA VAL 32 9.285 16.405 -7.368 120 HB VAL 32 HB VAL 32 11.672 15.939 -7.895 121 HG11 VAL 32 HG21 VAL 32 10.914 13.068 -7.302 122 HG12 VAL 32 HG22 VAL 32 11.927 14.073 -6.267 123 HG13 VAL 32 HG23 VAL 32 12.477 13.638 -7.885 124 HG21 VAL 32 HG11 VAL 32 9.634 15.547 -9.494 125 HG22 VAL 32 HG12 VAL 32 10.028 13.841 -9.286 126 HG23 VAL 32 HG13 VAL 32 11.223 14.944 -9.967 127 H ILE 33 H ILE 33 7.677 15.101 -8.293 128 HA ILE 33 HA ILE 33 6.510 13.101 -6.539 129 HB ILE 33 HB ILE 33 5.825 14.102 -9.310 130 HG12 ILE 33 HG12 ILE 33 4.325 14.278 -6.684 131 HG13 ILE 33 HG13 ILE 33 5.402 15.539 -7.282 132 HG21 ILE 33 HG21 ILE 33 3.608 12.752 -8.575 133 HG22 ILE 33 HG22 ILE 33 4.828 11.731 -7.813 134 HG23 ILE 33 HG23 ILE 33 4.882 12.022 -9.552 135 HD11 ILE 33 HD11 ILE 33 3.511 14.674 -9.325 136 HD12 ILE 33 HD12 ILE 33 3.842 16.301 -8.728 137 HD13 ILE 33 HD13 ILE 33 2.688 15.269 -7.884 138 H VAL 34 H VAL 34 6.705 10.903 -6.665 139 HA VAL 34 HA VAL 34 8.066 9.763 -9.064 140 HB VAL 34 HB VAL 34 9.815 9.691 -7.510 141 HG11 VAL 34 HG11 VAL 34 8.333 10.528 -5.637 142 HG12 VAL 34 HG12 VAL 34 9.558 9.359 -5.145 143 HG13 VAL 34 HG13 VAL 34 7.882 8.848 -5.341 144 HG21 VAL 34 HG21 VAL 34 9.279 7.413 -8.378 145 HG22 VAL 34 HG22 VAL 34 8.304 7.126 -6.936 146 HG23 VAL 34 HG23 VAL 34 10.043 7.373 -6.789 147 H ARG 35 H ARG 35 5.306 9.835 -7.281 148 HA ARG 35 HA ARG 35 4.560 7.104 -8.197 149 HB2 ARG 35 HB2 ARG 35 5.094 7.065 -5.731 150 HB3 ARG 35 HB3 ARG 35 3.784 8.221 -5.489 151 HG2 ARG 35 HG2 ARG 35 2.865 6.034 -5.093 152 HG3 ARG 35 HG3 ARG 35 2.252 6.574 -6.656 153 HD2 ARG 35 HD2 ARG 35 4.148 5.320 -7.745 154 HD3 ARG 35 HD3 ARG 35 4.550 4.662 -6.159 155 HE ARG 35 HE ARG 35 1.763 4.249 -6.997 156 HH11 ARG 35 HH11 ARG 35 2.998 2.433 -5.056 157 HH12 ARG 35 HH12 ARG 35 3.435 1.059 -6.016 158 HH21 ARG 35 HH21 ARG 35 3.188 2.754 -9.031 159 HH22 ARG 35 HH22 ARG 35 3.543 1.240 -8.267 160 H LEU 36 H LEU 36 2.691 7.202 -9.354 161 HA LEU 36 HA LEU 36 1.052 9.683 -9.099 162 HB2 LEU 36 HB2 LEU 36 1.517 7.735 -11.355 163 HB3 LEU 36 HB3 LEU 36 0.125 8.816 -11.362 164 HG LEU 36 HG LEU 36 1.506 10.760 -11.359 165 HD11 LEU 36 HD21 LEU 36 3.163 10.295 -9.738 166 HD12 LEU 36 HD22 LEU 36 4.072 10.405 -11.246 167 HD13 LEU 36 HD23 LEU 36 3.682 8.826 -10.564 168 HD21 LEU 36 HD11 LEU 36 1.572 8.984 -13.418 169 HD22 LEU 36 HD12 LEU 36 3.297 9.142 -13.080 170 HD23 LEU 36 HD13 LEU 36 2.340 10.570 -13.478 171 H GLU 37 H GLU 37 -0.536 9.257 -7.613 172 HA GLU 37 HA GLU 37 -2.243 6.862 -8.131 173 HB2 GLU 37 HB2 GLU 37 -1.288 7.882 -5.439 174 HB3 GLU 37 HB3 GLU 37 -2.543 6.662 -5.648 175 HG2 GLU 37 HG2 GLU 37 -0.910 5.263 -6.920 176 HG3 GLU 37 HG3 GLU 37 0.339 6.459 -6.573 177 H ARG 38 H ARG 38 -4.340 7.239 -6.581 178 HA ARG 38 HA ARG 38 -5.310 9.955 -7.330 179 HB2 ARG 38 HB2 ARG 38 -6.747 7.365 -6.707 180 HB3 ARG 38 HB3 ARG 38 -7.587 8.906 -6.875 181 HG2 ARG 38 HG2 ARG 38 -6.464 9.138 -9.146 182 HG3 ARG 38 HG3 ARG 38 -5.941 7.464 -8.969 183 HD2 ARG 38 HD2 ARG 38 -8.421 6.922 -8.525 184 HD3 ARG 38 HD3 ARG 38 -8.760 8.532 -9.159 185 HE ARG 38 HE ARG 38 -7.193 7.467 -11.130 186 HH11 ARG 38 HH11 ARG 38 -10.127 6.660 -9.533 187 HH12 ARG 38 HH12 ARG 38 -10.634 5.528 -10.742 188 HH21 ARG 38 HH21 ARG 38 -7.748 5.852 -12.637 189 HH22 ARG 38 HH22 ARG 38 -9.288 5.071 -12.499 190 H GLU 39 H GLU 39 -4.961 7.741 -4.596 191 HA GLU 39 HA GLU 39 -6.398 9.370 -2.701 192 HB2 GLU 39 HB2 GLU 39 -5.781 6.933 -2.395 193 HB3 GLU 39 HB3 GLU 39 -4.122 7.457 -2.108 194 HG2 GLU 39 HG2 GLU 39 -4.869 8.836 -0.215 195 HG3 GLU 39 HG3 GLU 39 -6.541 8.364 -0.516 196 H THR 40 H THR 40 -2.952 9.112 -3.569 197 HA THR 40 HA THR 40 -2.506 11.896 -2.851 198 HB THR 40 HB THR 40 -0.541 10.851 -1.253 199 HG1 THR 40 HG1 THR 40 -1.572 8.787 -1.434 200 HG21 THR 40 HG21 THR 40 -3.239 11.420 -0.067 201 HG22 THR 40 HG22 THR 40 -2.392 12.696 -0.939 202 HG23 THR 40 HG23 THR 40 -1.647 11.952 0.476 203 H PHE 41 H PHE 41 0.055 12.254 -2.953 204 HA PHE 41 HA PHE 41 1.076 10.515 -5.163 205 HB2 PHE 41 HB2 PHE 41 1.446 13.502 -4.784 206 HB3 PHE 41 HB3 PHE 41 2.221 12.541 -6.043 207 HD1 PHE 41 HD1 PHE 41 -0.593 14.529 -5.268 208 HD2 PHE 41 HD2 PHE 41 0.562 11.017 -7.457 209 HE1 PHE 41 HE1 PHE 41 -2.622 14.740 -6.677 210 HE2 PHE 41 HE2 PHE 41 -1.467 11.228 -8.865 211 HZ PHE 41 HZ PHE 41 -3.060 13.089 -8.476 212 H GLN 42 H GLN 42 3.271 9.960 -5.070 213 HA GLN 42 HA GLN 42 4.537 10.365 -2.419 214 HB2 GLN 42 HB2 GLN 42 4.339 8.073 -3.538 215 HB3 GLN 42 HB3 GLN 42 5.547 8.640 -4.690 216 HG2 GLN 42 HG2 GLN 42 7.100 9.106 -2.821 217 HG3 GLN 42 HG3 GLN 42 5.894 8.510 -1.680 218 HE21 GLN 42 HE21 GLN 42 8.289 7.543 -4.060 219 HE22 GLN 42 HE22 GLN 42 8.162 5.874 -3.780 220 H VAL 43 H VAL 43 6.044 11.944 -2.198 221 HA VAL 43 HA VAL 43 7.490 12.826 -4.664 222 HB VAL 43 HB VAL 43 6.832 14.495 -2.220 223 HG11 VAL 43 HG11 VAL 43 8.089 16.134 -3.157 224 HG12 VAL 43 HG12 VAL 43 7.476 15.793 -4.775 225 HG13 VAL 43 HG13 VAL 43 8.809 14.842 -4.119 226 HG21 VAL 43 HG21 VAL 43 4.841 13.799 -3.617 227 HG22 VAL 43 HG22 VAL 43 5.594 14.622 -4.983 228 HG23 VAL 43 HG23 VAL 43 5.115 15.541 -3.556 229 H LEU 44 H LEU 44 9.724 13.056 -4.510 230 HA LEU 44 HA LEU 44 10.977 11.801 -2.147 231 HB2 LEU 44 HB2 LEU 44 11.655 11.230 -4.520 232 HB3 LEU 44 HB3 LEU 44 12.318 12.859 -4.651 233 HG LEU 44 HG LEU 44 13.676 12.329 -2.554 234 HD11 LEU 44 HD11 LEU 44 12.702 9.546 -3.268 235 HD12 LEU 44 HD12 LEU 44 12.405 10.412 -1.760 236 HD13 LEU 44 HD13 LEU 44 14.036 9.878 -2.163 237 HD21 LEU 44 HD21 LEU 44 14.027 11.237 -5.290 238 HD22 LEU 44 HD22 LEU 44 15.079 10.549 -4.051 239 HD23 LEU 44 HD23 LEU 44 15.090 12.288 -4.352 240 H ASN 45 H ASN 45 11.456 13.122 -0.465 241 HA ASN 45 HA ASN 45 11.579 15.987 -0.681 242 HB2 ASN 45 HB2 ASN 45 12.482 14.090 1.503 243 HB3 ASN 45 HB3 ASN 45 12.485 15.847 1.668 244 HD21 ASN 45 HD21 ASN 45 10.844 14.414 3.413 245 HD22 ASN 45 HD22 ASN 45 9.214 14.582 2.972 246 H MET 46 H MET 46 13.337 17.346 -0.863 247 HA MET 46 HA MET 46 15.614 16.651 -2.274 248 HB2 MET 46 HB2 MET 46 15.136 18.970 -1.943 249 HB3 MET 46 HB3 MET 46 15.223 18.808 -0.190 250 HG2 MET 46 HG2 MET 46 17.631 18.257 -0.371 251 HG3 MET 46 HG3 MET 46 17.537 18.451 -2.121 252 HE1 MET 46 HE1 MET 46 16.143 20.984 1.014 253 HE2 MET 46 HE2 MET 46 17.857 21.326 1.229 254 HE3 MET 46 HE3 MET 46 17.293 19.657 1.227 255 H TYR 47 H TYR 47 15.181 16.499 1.252 256 HA TYR 47 HA TYR 47 17.872 15.945 1.958 257 HB2 TYR 47 HB2 TYR 47 15.322 14.897 3.226 258 HB3 TYR 47 HB3 TYR 47 16.918 14.850 3.972 259 HD1 TYR 47 HD1 TYR 47 17.413 17.700 2.360 260 HD2 TYR 47 HD2 TYR 47 14.710 16.213 5.351 261 HE1 TYR 47 HE1 TYR 47 17.084 20.005 3.208 262 HE2 TYR 47 HE2 TYR 47 14.382 18.520 6.198 263 HH TYR 47 HH TYR 47 14.952 20.650 5.996 264 H GLY 48 H GLY 48 15.668 14.071 0.139 265 HA2 GLY 48 HA2 GLY 48 16.412 12.106 -1.073 266 HA3 GLY 48 HA3 GLY 48 17.581 11.798 0.212 267 H LYS 49 H LYS 49 14.195 12.640 0.742 268 HA LYS 49 HA LYS 49 13.771 9.858 1.775 269 HB2 LYS 49 HB2 LYS 49 12.690 12.459 2.903 270 HB3 LYS 49 HB3 LYS 49 12.304 10.848 3.508 271 HG2 LYS 49 HG2 LYS 49 14.712 10.465 3.976 272 HG3 LYS 49 HG3 LYS 49 15.067 12.099 3.414 273 HD2 LYS 49 HD2 LYS 49 13.506 12.979 5.171 274 HD3 LYS 49 HD3 LYS 49 13.334 11.333 5.782 275 HE2 LYS 49 HE2 LYS 49 16.131 12.136 5.410 276 HE3 LYS 49 HE3 LYS 49 15.274 13.138 6.580 277 HZ1 LYS 49 HZ1 LYS 49 14.586 11.158 7.749 278 HZ2 LYS 49 HZ2 LYS 49 16.279 11.179 7.604 279 HZ3 LYS 49 HZ3 LYS 49 15.350 10.169 6.603 280 H VAL 50 H VAL 50 11.568 9.069 1.605 281 HA VAL 50 HA VAL 50 9.990 10.495 -0.501 282 HB VAL 50 HB VAL 50 10.179 7.516 0.045 283 HG11 VAL 50 HG11 VAL 50 9.020 8.264 -2.487 284 HG12 VAL 50 HG12 VAL 50 8.136 9.048 -1.179 285 HG13 VAL 50 HG13 VAL 50 8.314 7.293 -1.194 286 HG21 VAL 50 HG21 VAL 50 11.445 7.366 -1.970 287 HG22 VAL 50 HG22 VAL 50 12.168 8.692 -1.060 288 HG23 VAL 50 HG23 VAL 50 11.084 9.035 -2.408 289 H VAL 51 H VAL 51 7.988 11.139 0.159 290 HA VAL 51 HA VAL 51 6.632 9.588 2.304 291 HB VAL 51 HB VAL 51 6.095 11.599 3.563 292 HG11 VAL 51 HG11 VAL 51 9.034 11.352 2.865 293 HG12 VAL 51 HG12 VAL 51 8.186 10.545 4.183 294 HG13 VAL 51 HG13 VAL 51 8.425 12.292 4.226 295 HG21 VAL 51 HG21 VAL 51 7.912 13.407 2.152 296 HG22 VAL 51 HG22 VAL 51 6.258 13.685 2.701 297 HG23 VAL 51 HG23 VAL 51 6.553 12.900 1.149 298 H THR 52 H THR 52 4.344 9.747 2.216 299 HA THR 52 HA THR 52 3.285 10.425 -0.413 300 HB THR 52 HB THR 52 1.745 9.669 2.084 301 HG1 THR 52 HG1 THR 52 3.162 8.039 1.757 302 HG21 THR 52 HG21 THR 52 0.308 8.626 0.151 303 HG22 THR 52 HG22 THR 52 1.155 9.799 -0.856 304 HG23 THR 52 HG23 THR 52 0.173 10.350 0.500 305 H VAL 53 H VAL 53 2.325 12.322 -0.989 306 HA VAL 53 HA VAL 53 1.425 14.160 1.183 307 HB VAL 53 HB VAL 53 2.412 16.063 -0.019 308 HG11 VAL 53 HG11 VAL 53 3.762 14.856 1.688 309 HG12 VAL 53 HG12 VAL 53 4.771 15.566 0.428 310 HG13 VAL 53 HG13 VAL 53 4.428 13.836 0.413 311 HG21 VAL 53 HG21 VAL 53 3.305 13.891 -1.929 312 HG22 VAL 53 HG22 VAL 53 4.044 15.491 -1.895 313 HG23 VAL 53 HG23 VAL 53 2.336 15.318 -2.295 314 H ARG 54 H ARG 54 -0.218 15.702 0.443 315 HA ARG 54 HA ARG 54 -1.887 14.529 -1.694 316 HB2 ARG 54 HB2 ARG 54 -2.429 16.813 0.229 317 HB3 ARG 54 HB3 ARG 54 -3.605 16.120 -0.888 318 HG2 ARG 54 HG2 ARG 54 -3.338 13.918 0.212 319 HG3 ARG 54 HG3 ARG 54 -2.188 14.630 1.343 320 HD2 ARG 54 HD2 ARG 54 -5.095 15.430 1.014 321 HD3 ARG 54 HD3 ARG 54 -4.413 14.531 2.369 322 HE ARG 54 HE ARG 54 -3.044 17.050 2.006 323 HH11 ARG 54 HH11 ARG 54 -6.154 15.853 2.818 324 HH12 ARG 54 HH12 ARG 54 -6.380 16.938 4.149 325 HH21 ARG 54 HH21 ARG 54 -3.217 18.335 3.889 326 HH22 ARG 54 HH22 ARG 54 -4.717 18.344 4.756 327 H HIS 55 H HIS 55 -2.853 15.987 -3.342 328 HA HIS 55 HA HIS 55 -0.950 17.388 -4.858 329 HB2 HIS 55 HB2 HIS 55 -3.191 16.634 -5.681 330 HB3 HIS 55 HB3 HIS 55 -3.928 17.958 -4.780 331 HD1 HIS 55 HD1 HIS 55 -1.087 17.591 -7.316 332 HD2 HIS 55 HD2 HIS 55 -4.191 20.201 -6.354 333 HE1 HIS 55 HE1 HIS 55 -1.021 19.447 -9.038 334 H GLN 56 H GLN 56 -3.191 18.634 -2.392 335 HA GLN 56 HA GLN 56 -2.411 21.398 -2.774 336 HB2 GLN 56 HB2 GLN 56 -3.748 20.013 -0.430 337 HB3 GLN 56 HB3 GLN 56 -3.583 21.760 -0.604 338 HG2 GLN 56 HG2 GLN 56 -4.893 21.718 -2.663 339 HG3 GLN 56 HG3 GLN 56 -4.979 19.958 -2.605 340 HE21 GLN 56 HE21 GLN 56 -7.374 21.478 -2.608 341 HE22 GLN 56 HE22 GLN 56 -8.106 21.390 -1.080 342 H ALA 57 H ALA 57 -1.089 18.705 -1.020 343 HA ALA 57 HA ALA 57 0.498 20.327 0.812 344 HB1 ALA 57 HB1 ALA 57 0.051 18.141 1.598 345 HB2 ALA 57 HB2 ALA 57 1.739 18.071 1.089 346 HB3 ALA 57 HB3 ALA 57 0.475 17.406 0.052 347 H VAL 58 H VAL 58 0.713 19.581 -2.484 348 HA VAL 58 HA VAL 58 3.649 20.164 -2.464 349 HB VAL 58 HB VAL 58 3.859 18.914 -4.509 350 HG11 VAL 58 HG21 VAL 58 2.096 16.919 -3.401 351 HG12 VAL 58 HG22 VAL 58 2.912 17.775 -2.093 352 HG13 VAL 58 HG23 VAL 58 3.858 16.983 -3.352 353 HG21 VAL 58 HG11 VAL 58 0.845 18.580 -4.436 354 HG22 VAL 58 HG12 VAL 58 1.939 17.972 -5.679 355 HG23 VAL 58 HG13 VAL 58 1.700 19.709 -5.487 356 H THR 59 H THR 59 4.309 21.279 -4.617 357 HA THR 59 HA THR 59 2.177 23.066 -5.653 358 HB THR 59 HB THR 59 3.346 25.073 -5.154 359 HG1 THR 59 HG1 THR 59 5.496 23.632 -4.056 360 HG21 THR 59 HG21 THR 59 3.494 23.137 -2.836 361 HG22 THR 59 HG22 THR 59 2.223 24.309 -3.185 362 HG23 THR 59 HG23 THR 59 3.814 24.863 -2.662 363 H ARG 60 H ARG 60 2.772 24.058 -7.701 364 HA ARG 60 HA ARG 60 4.996 22.589 -9.057 365 HB2 ARG 60 HB2 ARG 60 2.565 23.900 -10.311 366 HB3 ARG 60 HB3 ARG 60 3.763 22.902 -11.136 367 HG2 ARG 60 HG2 ARG 60 3.142 21.006 -9.614 368 HG3 ARG 60 HG3 ARG 60 1.853 22.012 -8.955 369 HD2 ARG 60 HD2 ARG 60 1.045 22.289 -11.376 370 HD3 ARG 60 HD3 ARG 60 2.143 20.968 -11.778 371 HE ARG 60 HE ARG 60 0.672 19.957 -9.668 372 HH11 ARG 60 HH11 ARG 60 0.044 18.342 -11.750 373 HH12 ARG 60 HH12 ARG 60 -1.483 18.856 -12.383 374 HH21 ARG 60 HH21 ARG 60 -1.351 21.980 -10.882 375 HH22 ARG 60 HH22 ARG 60 -2.274 20.917 -11.892 376 H LYS 61 H LYS 61 5.585 24.903 -7.539 377 HA LYS 61 HA LYS 61 5.952 27.013 -9.617 378 HB2 LYS 61 HB2 LYS 61 4.872 27.604 -7.398 379 HB3 LYS 61 HB3 LYS 61 6.422 27.252 -6.633 380 HG2 LYS 61 HG3 LYS 61 7.507 28.942 -8.084 381 HG3 LYS 61 HG2 LYS 61 5.945 29.308 -8.814 382 HD2 LYS 61 HD2 LYS 61 5.071 29.956 -6.585 383 HD3 LYS 61 HD3 LYS 61 6.654 29.627 -5.881 384 HE2 LYS 61 HE2 LYS 61 7.614 31.500 -6.824 385 HE3 LYS 61 HE3 LYS 61 6.555 31.462 -8.233 386 HZ1 LYS 61 HZ1 LYS 61 6.280 33.011 -5.945 387 HZ2 LYS 61 HZ2 LYS 61 5.016 31.877 -5.913 388 HZ3 LYS 61 HZ3 LYS 61 5.211 32.899 -7.255 389 H LYS 62 H LYS 62 8.092 27.978 -9.826 390 HA LYS 62 HA LYS 62 10.422 27.818 -10.063 391 HB2 LYS 62 HB2 LYS 62 10.176 26.315 -7.438 392 HB3 LYS 62 HB3 LYS 62 11.662 26.997 -8.100 393 HG2 LYS 62 HG2 LYS 62 10.544 29.254 -8.083 394 HG3 LYS 62 HG3 LYS 62 9.186 28.518 -7.236 395 HD2 LYS 62 HD2 LYS 62 10.700 27.816 -5.415 396 HD3 LYS 62 HD3 LYS 62 12.060 28.550 -6.265 397 HE2 LYS 62 HE2 LYS 62 10.536 30.700 -6.239 398 HE3 LYS 62 HE3 LYS 62 9.742 29.878 -4.894 399 HZ1 LYS 62 HZ1 LYS 62 12.198 31.253 -4.911 400 HZ2 LYS 62 HZ2 LYS 62 12.482 29.626 -4.511 401 HZ3 LYS 62 HZ3 LYS 62 11.385 30.550 -3.599 402 H ASP 63 H ASP 63 8.882 25.880 -11.434 403 HA ASP 63 HA ASP 63 9.586 23.185 -11.055 404 HB2 ASP 63 HB2 ASP 63 9.097 24.759 -13.593 405 HB3 ASP 63 HB3 ASP 63 9.331 23.011 -13.586 406 H ASN 64 H ASN 64 11.415 25.773 -12.657 407 HA ASN 64 HA ASN 64 13.667 25.857 -13.310 408 HB2 ASN 64 HB2 ASN 64 13.853 23.573 -11.320 409 HB3 ASN 64 HB3 ASN 64 15.235 24.428 -12.007 410 HD21 ASN 64 HD21 ASN 64 14.455 24.371 -9.146 411 HD22 ASN 64 HD22 ASN 64 14.107 25.971 -8.701 412 H ARG 65 H ARG 65 11.914 24.401 -14.992 413 HA ARG 65 HA ARG 65 12.943 21.798 -15.657 414 HB2 ARG 65 HB2 ARG 65 11.348 23.818 -17.255 415 HB3 ARG 65 HB3 ARG 65 11.741 22.204 -17.850 416 HG2 ARG 65 HG2 ARG 65 10.671 21.274 -15.755 417 HG3 ARG 65 HG3 ARG 65 10.118 22.908 -15.388 418 HD2 ARG 65 HD2 ARG 65 9.020 22.942 -17.670 419 HD3 ARG 65 HD3 ARG 65 9.404 21.226 -17.805 420 HE ARG 65 HE ARG 65 8.062 21.561 -15.346 421 HH11 ARG 65 HH11 ARG 65 7.018 19.614 -17.231 422 HH12 ARG 65 HH12 ARG 65 5.541 20.327 -17.788 423 HH21 ARG 65 HH21 ARG 65 6.360 23.516 -16.701 424 HH22 ARG 65 HH22 ARG 65 5.169 22.537 -17.488 425 H PHE 66 H PHE 66 13.774 25.074 -16.680 426 HA PHE 66 HA PHE 66 15.898 23.928 -18.440 427 HB2 PHE 66 HB2 PHE 66 14.765 26.742 -18.339 428 HB3 PHE 66 HB3 PHE 66 15.998 26.173 -19.464 429 HD1 PHE 66 HD1 PHE 66 12.439 26.049 -18.554 430 HD2 PHE 66 HD2 PHE 66 15.442 24.588 -21.256 431 HE1 PHE 66 HE1 PHE 66 10.666 25.209 -20.071 432 HE2 PHE 66 HE2 PHE 66 13.669 23.749 -22.772 433 HZ PHE 66 HZ PHE 66 11.282 24.059 -22.180 434 H ALA 67 H ALA 67 15.684 24.589 -15.361 435 HA ALA 67 HA ALA 67 17.460 26.638 -14.661 436 HB1 ALA 67 HB1 ALA 67 16.784 25.740 -12.695 437 HB2 ALA 67 HB2 ALA 67 18.117 24.603 -12.895 438 HB3 ALA 67 HB3 ALA 67 16.494 24.161 -13.427 439 H VAL 68 H VAL 68 19.675 26.881 -14.724 440 HA VAL 68 HA VAL 68 21.277 24.551 -15.692 441 HB VAL 68 HB VAL 68 22.552 26.031 -17.142 442 HG11 VAL 68 HG21 VAL 68 19.769 26.906 -17.767 443 HG12 VAL 68 HG22 VAL 68 20.072 25.171 -17.683 444 HG13 VAL 68 HG23 VAL 68 20.978 26.170 -18.819 445 HG21 VAL 68 HG11 VAL 68 21.612 28.436 -17.384 446 HG22 VAL 68 HG12 VAL 68 22.626 28.088 -15.984 447 HG23 VAL 68 HG13 VAL 68 20.872 28.152 -15.809 448 H ALA 69 H ALA 69 23.326 24.363 -14.741 449 HA ALA 69 HA ALA 69 24.209 26.525 -12.905 450 HB1 ALA 69 HB1 ALA 69 23.536 25.379 -11.085 451 HB2 ALA 69 HB2 ALA 69 24.714 24.136 -11.508 452 HB3 ALA 69 HB3 ALA 69 23.048 24.000 -12.072 453 H LEU 70 H LEU 70 26.491 26.369 -12.389 454 HA LEU 70 HA LEU 70 27.994 24.847 -14.450 455 HB2 LEU 70 HB2 LEU 70 28.388 27.313 -14.158 456 HB3 LEU 70 HB3 LEU 70 29.005 26.973 -12.541 457 HG LEU 70 HG LEU 70 30.626 25.339 -13.666 458 HD11 LEU 70 HD11 LEU 70 29.708 25.021 -15.818 459 HD12 LEU 70 HD12 LEU 70 31.074 26.099 -16.107 460 HD13 LEU 70 HD13 LEU 70 29.434 26.748 -16.052 461 HD21 LEU 70 HD21 LEU 70 31.387 27.926 -14.800 462 HD22 LEU 70 HD22 LEU 70 32.149 27.003 -13.505 463 HD23 LEU 70 HD23 LEU 70 30.787 28.066 -13.147 464 H ASP 71 H ASP 71 29.334 23.164 -13.899 465 HA ASP 71 HA ASP 71 29.189 22.123 -11.178 466 HB2 ASP 71 HB3 ASP 71 29.379 20.840 -13.479 467 HB3 ASP 71 HB2 ASP 71 31.110 21.064 -13.224 468 H SER 72 H SER 72 30.743 22.286 -9.603 469 HA SER 72 HA SER 72 32.616 24.345 -9.526 470 HB2 SER 72 HB3 SER 72 32.916 21.647 -8.175 471 HB3 SER 72 HB2 SER 72 33.676 23.157 -7.671 472 HG SER 72 HG SER 72 31.767 23.934 -7.027 473 H GLU 73 H GLU 73 32.881 21.302 -11.186 474 HA GLU 73 HA GLU 73 35.805 21.522 -11.477 475 HB2 GLU 73 HB2 GLU 73 34.407 19.332 -11.333 476 HB3 GLU 73 HB3 GLU 73 34.042 19.635 -13.032 477 HG2 GLU 73 HG3 GLU 73 36.489 19.768 -13.496 478 HG3 GLU 73 HG2 GLU 73 36.806 19.362 -11.810 479 H GLN 74 H GLN 74 33.909 23.615 -12.581 480 HA GLN 74 HA GLN 74 33.804 24.943 -14.513 481 HB2 GLN 74 HB2 GLN 74 36.133 23.253 -15.465 482 HB3 GLN 74 HB3 GLN 74 35.696 24.869 -16.018 483 HG2 GLN 74 HG3 GLN 74 36.080 25.713 -13.693 484 HG3 GLN 74 HG2 GLN 74 36.643 24.104 -13.240 485 HE21 GLN 74 HE21 GLN 74 38.269 26.589 -13.267 486 HE22 GLN 74 HE22 GLN 74 39.547 26.292 -14.344 487 H ASN 75 H ASN 75 32.075 22.727 -14.394 488 HA ASN 75 HA ASN 75 32.037 21.876 -17.265 489 HB2 ASN 75 HB3 ASN 75 30.885 20.322 -14.933 490 HB3 ASN 75 HB2 ASN 75 31.051 19.776 -16.601 491 HD21 ASN 75 HD21 ASN 75 32.256 18.180 -14.690 492 HD22 ASN 75 HD22 ASN 75 33.943 18.356 -14.760 493 H ASN 76 H ASN 76 29.972 21.878 -18.282 494 HA ASN 76 HA ASN 76 28.035 23.714 -17.016 495 HB2 ASN 76 HB2 ASN 76 28.104 22.456 -19.776 496 HB3 ASN 76 HB3 ASN 76 26.916 23.642 -19.237 497 HD21 ASN 76 HD21 ASN 76 28.667 24.210 -21.430 498 HD22 ASN 76 HD22 ASN 76 29.737 25.441 -20.957 499 H ILE 77 H ILE 77 26.086 23.052 -16.192 500 HA ILE 77 HA ILE 77 25.331 20.187 -16.616 501 HB ILE 77 HB ILE 77 24.954 21.848 -14.104 502 HG12 ILE 77 HG12 ILE 77 26.778 19.484 -14.642 503 HG13 ILE 77 HG13 ILE 77 27.312 21.162 -14.546 504 HG21 ILE 77 HG21 ILE 77 23.450 19.712 -15.003 505 HG22 ILE 77 HG22 ILE 77 23.624 20.189 -13.315 506 HG23 ILE 77 HG23 ILE 77 24.658 18.928 -13.987 507 HD11 ILE 77 HD11 ILE 77 27.164 19.418 -12.408 508 HD12 ILE 77 HD12 ILE 77 25.662 20.333 -12.261 509 HD13 ILE 77 HD13 ILE 77 27.211 21.176 -12.280 510 H HIS 78 H HIS 78 23.220 19.854 -17.242 511 HA HIS 78 HA HIS 78 21.396 22.223 -17.164 512 HB2 HIS 78 HB3 HIS 78 21.557 20.137 -19.360 513 HB3 HIS 78 HB2 HIS 78 20.498 21.548 -19.332 514 HD1 HIS 78 HD1 HIS 78 21.746 23.933 -19.368 515 HD2 HIS 78 HD2 HIS 78 24.122 20.647 -20.332 516 HE1 HIS 78 HE1 HIS 78 23.826 24.855 -20.481 517 H VAL 79 H VAL 79 19.074 21.610 -17.171 518 HA VAL 79 HA VAL 79 18.453 19.662 -15.203 519 HB VAL 79 HB VAL 79 16.711 20.907 -17.350 520 HG11 VAL 79 HG11 VAL 79 14.803 20.104 -16.141 521 HG12 VAL 79 HG12 VAL 79 15.809 19.528 -14.810 522 HG13 VAL 79 HG13 VAL 79 15.862 18.713 -16.373 523 HG21 VAL 79 HG21 VAL 79 16.653 22.709 -16.000 524 HG22 VAL 79 HG22 VAL 79 17.908 21.955 -15.017 525 HG23 VAL 79 HG23 VAL 79 16.208 21.708 -14.618 526 H LYS 80 H LYS 80 18.901 19.372 -18.649 527 HA LYS 80 HA LYS 80 18.016 16.519 -18.473 528 HB2 LYS 80 HB3 LYS 80 18.055 18.430 -20.823 529 HB3 LYS 80 HB2 LYS 80 17.773 16.697 -20.985 530 HG2 LYS 80 HG3 LYS 80 15.851 16.897 -19.408 531 HG3 LYS 80 HG2 LYS 80 16.107 18.641 -19.360 532 HD2 LYS 80 HD2 LYS 80 14.403 18.283 -20.997 533 HD3 LYS 80 HD3 LYS 80 15.879 18.604 -21.906 534 HE2 LYS 80 HE2 LYS 80 16.198 16.285 -22.390 535 HE3 LYS 80 HE3 LYS 80 14.982 15.800 -21.208 536 HZ1 LYS 80 HZ1 LYS 80 13.289 16.331 -22.587 537 HZ2 LYS 80 HZ2 LYS 80 14.455 16.000 -23.778 538 HZ3 LYS 80 HZ3 LYS 80 14.126 17.606 -23.331 539 H ASP 81 H ASP 81 20.062 15.707 -17.820 540 HA ASP 81 HA ASP 81 21.946 15.266 -19.981 541 HB2 ASP 81 HB3 ASP 81 22.460 17.633 -19.029 542 HB3 ASP 81 HB2 ASP 81 23.099 16.765 -17.633 543 H ILE 82 H ILE 82 23.999 14.118 -18.961 544 HA ILE 82 HA ILE 82 22.965 12.299 -16.825 545 HB ILE 82 HB ILE 82 25.122 11.776 -18.894 546 HG12 ILE 82 HG13 ILE 82 22.290 10.701 -18.755 547 HG13 ILE 82 HG12 ILE 82 22.794 12.014 -19.820 548 HG21 ILE 82 HG21 ILE 82 25.660 10.172 -17.373 549 HG22 ILE 82 HG22 ILE 82 24.211 9.358 -17.965 550 HG23 ILE 82 HG23 ILE 82 24.133 10.350 -16.509 551 HD11 ILE 82 HD11 ILE 82 22.966 10.092 -21.184 552 HD12 ILE 82 HD12 ILE 82 23.639 9.118 -19.877 553 HD13 ILE 82 HD13 ILE 82 24.622 10.368 -20.641 554 H VAL 83 H VAL 83 24.108 12.176 -14.930 555 HA VAL 83 HA VAL 83 26.812 13.454 -14.870 556 HB VAL 83 HB VAL 83 24.954 14.866 -13.845 557 HG11 VAL 83 HG11 VAL 83 25.076 12.957 -11.528 558 HG12 VAL 83 HG12 VAL 83 23.937 12.656 -12.841 559 HG13 VAL 83 HG13 VAL 83 23.842 14.155 -11.917 560 HG21 VAL 83 HG21 VAL 83 26.289 15.346 -11.783 561 HG22 VAL 83 HG22 VAL 83 27.287 15.225 -13.231 562 HG23 VAL 83 HG23 VAL 83 27.224 13.882 -12.089 563 H LYS 84 H LYS 84 28.315 12.454 -13.455 564 HA LYS 84 HA LYS 84 27.561 9.689 -12.676 565 HB2 LYS 84 HB2 LYS 84 29.618 10.022 -14.029 566 HB3 LYS 84 HB3 LYS 84 30.287 11.020 -12.738 567 HG2 LYS 84 HG2 LYS 84 30.224 9.144 -11.189 568 HG3 LYS 84 HG3 LYS 84 29.404 8.141 -12.386 569 HD2 LYS 84 HD2 LYS 84 31.421 8.517 -13.898 570 HD3 LYS 84 HD3 LYS 84 32.233 9.210 -12.493 571 HE2 LYS 84 HE3 LYS 84 31.225 6.877 -11.456 572 HE3 LYS 84 HE2 LYS 84 31.610 6.394 -13.108 573 HZ1 LYS 84 HZ1 LYS 84 33.818 6.784 -12.810 574 HZ2 LYS 84 HZ2 LYS 84 33.407 6.341 -11.222 575 HZ3 LYS 84 HZ3 LYS 84 33.579 7.980 -11.633 576 H VAL 85 H VAL 85 27.801 8.945 -10.536 577 HA VAL 85 HA VAL 85 27.853 11.108 -8.494 578 HB VAL 85 HB VAL 85 27.122 8.202 -8.065 579 HG11 VAL 85 HG21 VAL 85 26.384 10.762 -6.613 580 HG12 VAL 85 HG22 VAL 85 27.582 9.590 -6.065 581 HG13 VAL 85 HG23 VAL 85 25.879 9.136 -6.156 582 HG21 VAL 85 HG11 VAL 85 24.822 8.767 -8.507 583 HG22 VAL 85 HG12 VAL 85 25.762 9.297 -9.900 584 HG23 VAL 85 HG13 VAL 85 25.221 10.473 -8.703 585 H ILE 86 H ILE 86 29.874 11.463 -7.704 586 HA ILE 86 HA ILE 86 31.513 9.068 -6.982 587 HB ILE 86 HB ILE 86 32.553 11.694 -8.089 588 HG12 ILE 86 HG12 ILE 86 32.597 8.956 -9.379 589 HG13 ILE 86 HG13 ILE 86 31.354 10.159 -9.723 590 HG21 ILE 86 HG21 ILE 86 34.213 10.822 -6.645 591 HG22 ILE 86 HG22 ILE 86 34.676 10.222 -8.238 592 HG23 ILE 86 HG23 ILE 86 33.853 9.157 -7.099 593 HD11 ILE 86 HD11 ILE 86 33.358 11.757 -10.187 594 HD12 ILE 86 HD12 ILE 86 32.951 10.550 -11.408 595 HD13 ILE 86 HD13 ILE 86 34.307 10.275 -10.314 596 H ASP 87 H ASP 87 29.694 11.262 -5.622 597 HA ASP 87 HA ASP 87 31.667 11.881 -3.457 598 HB2 ASP 87 HB2 ASP 87 29.466 13.547 -4.657 599 HB3 ASP 87 HB3 ASP 87 29.973 13.820 -2.990 600 H GLY 88 H GLY 88 30.975 11.472 -1.343 601 HA2 GLY 88 HA2 GLY 88 29.539 10.726 0.380 602 HA3 GLY 88 HA3 GLY 88 28.192 10.823 -0.754 603 HA PRO 89 HA PRO 89 29.267 6.301 -0.017 604 HB2 PRO 89 HB2 PRO 89 26.750 5.530 0.592 605 HB3 PRO 89 HB3 PRO 89 27.887 6.132 1.801 606 HG2 PRO 89 HG2 PRO 89 25.655 7.565 0.413 607 HG3 PRO 89 HG3 PRO 89 26.125 7.623 2.114 608 HD2 PRO 89 HD3 PRO 89 26.802 9.571 0.357 609 HD3 PRO 89 HD2 PRO 89 27.828 9.134 1.724 610 H HIS 90 H HIS 90 27.233 8.154 -2.050 611 HA HIS 90 HA HIS 90 26.297 5.848 -3.630 612 HB2 HIS 90 HB2 HIS 90 26.032 8.834 -4.105 613 HB3 HIS 90 HB3 HIS 90 25.247 7.578 -5.061 614 HD1 HIS 90 HD1 HIS 90 23.604 9.670 -3.405 615 HD2 HIS 90 HD2 HIS 90 24.600 5.850 -2.064 616 HE1 HIS 90 HE1 HIS 90 21.917 9.076 -1.612 617 H SER 91 H SER 91 29.018 7.888 -3.469 618 HA SER 91 HA SER 91 29.923 8.358 -6.012 619 HB2 SER 91 HB2 SER 91 31.964 8.588 -5.037 620 HB3 SER 91 HB3 SER 91 31.105 8.245 -3.536 621 HG SER 91 HG SER 91 32.718 6.782 -3.609 622 H GLY 92 H GLY 92 30.607 7.157 -7.770 623 HA2 GLY 92 HA2 GLY 92 31.476 5.145 -8.814 624 HA3 GLY 92 HA3 GLY 92 30.900 4.216 -7.429 625 H ARG 93 H ARG 93 28.488 6.366 -8.162 626 HA ARG 93 HA ARG 93 27.164 4.387 -9.984 627 HB2 ARG 93 HB3 ARG 93 25.929 6.093 -7.800 628 HB3 ARG 93 HB2 ARG 93 25.022 5.064 -8.910 629 HG2 ARG 93 HG2 ARG 93 26.345 3.102 -8.095 630 HG3 ARG 93 HG3 ARG 93 27.113 4.157 -6.909 631 HD2 ARG 93 HD2 ARG 93 24.792 4.739 -6.073 632 HD3 ARG 93 HD3 ARG 93 24.172 3.459 -7.116 633 HE ARG 93 HE ARG 93 26.017 2.079 -5.710 634 HH11 ARG 93 HH11 ARG 93 26.506 3.280 -3.372 635 HH12 ARG 93 HH12 ARG 93 25.093 3.160 -2.378 636 HH21 ARG 93 HH21 ARG 93 22.973 2.423 -5.023 637 HH22 ARG 93 HH22 ARG 93 23.092 2.675 -3.313 638 H GLU 94 H GLU 94 25.974 5.245 -11.722 639 HA GLU 94 HA GLU 94 26.426 8.152 -12.217 640 HB2 GLU 94 HB3 GLU 94 25.675 5.978 -14.194 641 HB3 GLU 94 HB2 GLU 94 26.135 7.637 -14.581 642 HG2 GLU 94 HG2 GLU 94 28.372 7.274 -13.700 643 HG3 GLU 94 HG3 GLU 94 27.927 5.665 -13.131 644 H GLY 95 H GLY 95 24.674 9.507 -12.555 645 HA2 GLY 95 HA3 GLY 95 21.966 8.235 -12.544 646 HA3 GLY 95 HA2 GLY 95 22.321 9.639 -11.538 647 H GLU 96 H GLU 96 20.275 9.711 -13.465 648 HA GLU 96 HA GLU 96 21.454 11.315 -15.689 649 HB2 GLU 96 HB2 GLU 96 18.696 10.090 -15.374 650 HB3 GLU 96 HB3 GLU 96 19.227 11.035 -16.765 651 HG2 GLU 96 HG3 GLU 96 21.071 9.391 -17.129 652 HG3 GLU 96 HG2 GLU 96 20.427 8.421 -15.804 653 H ILE 97 H ILE 97 21.166 13.497 -15.678 654 HA ILE 97 HA ILE 97 19.826 14.770 -13.439 655 HB ILE 97 HB ILE 97 21.009 15.888 -15.997 656 HG12 ILE 97 HG13 ILE 97 22.027 16.008 -13.147 657 HG13 ILE 97 HG12 ILE 97 22.541 14.786 -14.311 658 HG21 ILE 97 HG21 ILE 97 19.642 17.648 -15.428 659 HG22 ILE 97 HG22 ILE 97 20.967 17.987 -14.314 660 HG23 ILE 97 HG23 ILE 97 19.526 17.148 -13.741 661 HD11 ILE 97 HD11 ILE 97 23.982 16.232 -15.262 662 HD12 ILE 97 HD12 ILE 97 23.592 17.389 -13.990 663 HD13 ILE 97 HD13 ILE 97 22.694 17.412 -15.508 664 H ARG 98 H ARG 98 17.622 14.714 -13.377 665 HA ARG 98 HA ARG 98 16.145 15.195 -15.930 666 HB2 ARG 98 HB2 ARG 98 15.413 13.734 -13.392 667 HB3 ARG 98 HB3 ARG 98 14.179 14.262 -14.537 668 HG2 ARG 98 HG2 ARG 98 15.552 13.071 -16.340 669 HG3 ARG 98 HG3 ARG 98 16.464 12.338 -15.020 670 HD2 ARG 98 HD3 ARG 98 14.324 11.465 -14.079 671 HD3 ARG 98 HD2 ARG 98 13.473 12.119 -15.479 672 HE ARG 98 HE ARG 98 15.064 9.690 -15.441 673 HH11 ARG 98 HH11 ARG 98 12.760 11.163 -17.200 674 HH12 ARG 98 HH12 ARG 98 13.450 10.879 -18.763 675 HH21 ARG 98 HH21 ARG 98 16.513 9.838 -17.516 676 HH22 ARG 98 HH22 ARG 98 15.575 10.130 -18.942 677 H HIS 99 H HIS 99 16.033 15.968 -12.433 678 HA HIS 99 HA HIS 99 14.707 18.542 -13.199 679 HB2 HIS 99 HB2 HIS 99 14.462 17.453 -10.423 680 HB3 HIS 99 HB3 HIS 99 13.324 18.434 -11.344 681 HD1 HIS 99 HD1 HIS 99 12.185 17.101 -13.463 682 HD2 HIS 99 HD2 HIS 99 13.830 14.757 -10.433 683 HE1 HIS 99 HE1 HIS 99 11.181 14.790 -13.719 684 H LEU 100 H LEU 100 15.639 20.417 -12.384 685 HA LEU 100 HA LEU 100 17.975 20.056 -10.553 686 HB2 LEU 100 HB2 LEU 100 18.599 20.536 -12.973 687 HB3 LEU 100 HB3 LEU 100 17.829 22.110 -12.774 688 HG LEU 100 HG LEU 100 19.480 21.828 -10.523 689 HD11 LEU 100 HD21 LEU 100 21.617 21.154 -11.309 690 HD12 LEU 100 HD22 LEU 100 21.097 21.190 -12.993 691 HD13 LEU 100 HD23 LEU 100 20.510 19.922 -11.917 692 HD21 LEU 100 HD11 LEU 100 20.893 23.532 -11.891 693 HD22 LEU 100 HD12 LEU 100 19.223 23.953 -11.505 694 HD23 LEU 100 HD13 LEU 100 19.633 23.358 -13.114 695 H PHE 101 H PHE 101 18.103 21.543 -8.885 696 HA PHE 101 HA PHE 101 16.265 23.878 -8.936 697 HB2 PHE 101 HB2 PHE 101 15.060 22.052 -7.775 698 HB3 PHE 101 HB3 PHE 101 16.418 21.871 -6.665 699 HD1 PHE 101 HD1 PHE 101 13.524 23.912 -7.596 700 HD2 PHE 101 HD2 PHE 101 16.972 23.663 -5.046 701 HE1 PHE 101 HE1 PHE 101 12.600 25.718 -6.171 702 HE2 PHE 101 HE2 PHE 101 16.047 25.469 -3.619 703 HZ PHE 101 HZ PHE 101 13.861 26.497 -4.182 704 H ARG 102 H ARG 102 17.724 25.523 -8.715 705 HA ARG 102 HA ARG 102 19.560 26.747 -7.905 706 HB2 ARG 102 HB2 ARG 102 18.889 25.240 -5.357 707 HB3 ARG 102 HB3 ARG 102 19.783 26.756 -5.470 708 HG2 ARG 102 HG2 ARG 102 17.750 27.773 -6.570 709 HG3 ARG 102 HG3 ARG 102 16.876 26.289 -6.190 710 HD2 ARG 102 HD2 ARG 102 16.435 27.876 -4.418 711 HD3 ARG 102 HD3 ARG 102 17.508 26.635 -3.771 712 HE ARG 102 HE ARG 102 18.831 29.044 -4.841 713 HH11 ARG 102 HH11 ARG 102 18.551 30.672 -2.962 714 HH12 ARG 102 HH12 ARG 102 19.076 30.034 -1.439 715 HH21 ARG 102 HH21 ARG 102 19.105 26.742 -2.527 716 HH22 ARG 102 HH22 ARG 102 19.389 27.810 -1.193 717 H SER 103 H SER 103 21.236 25.600 -5.614 718 HA SER 103 HA SER 103 23.219 24.324 -7.273 719 HB2 SER 103 HB3 SER 103 24.555 24.216 -5.315 720 HB3 SER 103 HB2 SER 103 23.588 25.677 -5.112 721 HG SER 103 HG SER 103 22.457 24.749 -3.575 722 H PHE 104 H PHE 104 20.372 23.125 -5.981 723 HA PHE 104 HA PHE 104 21.492 20.367 -5.742 724 HB2 PHE 104 HB3 PHE 104 18.834 21.476 -4.785 725 HB3 PHE 104 HB2 PHE 104 19.398 19.821 -4.549 726 HD1 PHE 104 HD1 PHE 104 21.430 19.381 -3.149 727 HD2 PHE 104 HD2 PHE 104 19.634 23.274 -3.420 728 HE1 PHE 104 HE1 PHE 104 22.656 20.089 -1.113 729 HE2 PHE 104 HE2 PHE 104 20.861 23.982 -1.385 730 HZ PHE 104 HZ PHE 104 22.373 22.389 -0.231 731 H ALA 105 H ALA 105 20.343 18.640 -6.837 732 HA ALA 105 HA ALA 105 18.269 19.383 -8.792 733 HB1 ALA 105 HB1 ALA 105 19.489 18.739 -10.743 734 HB2 ALA 105 HB2 ALA 105 20.818 18.090 -9.782 735 HB3 ALA 105 HB3 ALA 105 20.552 19.833 -9.856 736 H PHE 106 H PHE 106 17.104 17.535 -9.529 737 HA PHE 106 HA PHE 106 17.516 15.134 -7.851 738 HB2 PHE 106 HB3 PHE 106 15.299 15.929 -9.759 739 HB3 PHE 106 HB2 PHE 106 15.325 14.419 -8.852 740 HD1 PHE 106 HD1 PHE 106 14.052 14.411 -6.916 741 HD2 PHE 106 HD2 PHE 106 15.957 18.061 -8.143 742 HE1 PHE 106 HE1 PHE 106 13.093 15.573 -4.947 743 HE2 PHE 106 HE2 PHE 106 14.999 19.222 -6.173 744 HZ PHE 106 HZ PHE 106 13.565 17.978 -4.575 745 H LEU 107 H LEU 107 18.474 13.317 -8.641 746 HA LEU 107 HA LEU 107 18.962 13.190 -11.586 747 HB2 LEU 107 HB3 LEU 107 20.389 11.739 -9.335 748 HB3 LEU 107 HB2 LEU 107 20.828 11.690 -11.042 749 HG LEU 107 HG LEU 107 22.276 13.309 -10.040 750 HD11 LEU 107 HD21 LEU 107 21.589 15.398 -11.146 751 HD12 LEU 107 HD22 LEU 107 19.941 14.787 -11.292 752 HD13 LEU 107 HD23 LEU 107 21.250 14.010 -12.183 753 HD21 LEU 107 HD11 LEU 107 20.288 13.569 -8.151 754 HD22 LEU 107 HD12 LEU 107 20.188 15.108 -9.008 755 HD23 LEU 107 HD13 LEU 107 21.708 14.609 -8.265 756 H HIS 108 H HIS 108 18.827 11.001 -12.570 757 HA HIS 108 HA HIS 108 16.898 9.242 -11.114 758 HB2 HIS 108 HB2 HIS 108 15.677 10.363 -12.876 759 HB3 HIS 108 HB3 HIS 108 16.941 9.990 -14.049 760 HD1 HIS 108 HD1 HIS 108 16.335 8.062 -15.490 761 HD2 HIS 108 HD2 HIS 108 14.721 7.659 -11.666 762 HE1 HIS 108 HE1 HIS 108 15.048 5.881 -15.481 763 H CYS 109 H CYS 109 17.515 7.121 -10.997 764 HA CYS 109 HA CYS 109 19.853 6.297 -12.673 765 HB2 CYS 109 HB3 CYS 109 19.617 6.322 -9.896 766 HB3 CYS 109 HB2 CYS 109 19.331 4.636 -10.327 767 HG CYS 109 HG CYS 109 21.999 6.099 -10.570 768 H LYS 110 H LYS 110 19.614 4.467 -13.919 769 HA LYS 110 HA LYS 110 16.995 3.422 -14.417 770 HB2 LYS 110 HB2 LYS 110 19.725 2.298 -15.110 771 HB3 LYS 110 HB3 LYS 110 18.200 1.694 -15.760 772 HG2 LYS 110 HG2 LYS 110 17.726 3.975 -16.655 773 HG3 LYS 110 HG3 LYS 110 19.310 4.498 -16.087 774 HD2 LYS 110 HD2 LYS 110 20.357 2.723 -17.496 775 HD3 LYS 110 HD3 LYS 110 18.759 2.317 -18.122 776 HE2 LYS 110 HE2 LYS 110 18.574 4.796 -18.781 777 HE3 LYS 110 HE3 LYS 110 20.308 4.888 -18.479 778 HZ1 LYS 110 HZ1 LYS 110 19.897 2.623 -20.009 779 HZ2 LYS 110 HZ2 LYS 110 20.617 4.081 -20.500 780 HZ3 LYS 110 HZ3 LYS 110 18.950 3.836 -20.723 781 H LYS 111 H LYS 111 19.797 2.011 -12.695 782 HA LYS 111 HA LYS 111 18.792 -0.466 -11.974 783 HB2 LYS 111 HB2 LYS 111 21.015 0.367 -11.277 784 HB3 LYS 111 HB3 LYS 111 20.242 1.459 -10.128 785 HG2 LYS 111 HG2 LYS 111 19.183 -0.555 -9.046 786 HG3 LYS 111 HG3 LYS 111 20.163 -1.571 -10.102 787 HD2 LYS 111 HD2 LYS 111 22.201 -0.356 -9.204 788 HD3 LYS 111 HD3 LYS 111 21.140 0.386 -8.007 789 HE2 LYS 111 HE2 LYS 111 20.401 -2.114 -7.569 790 HE3 LYS 111 HE3 LYS 111 21.970 -2.482 -8.286 791 HZ1 LYS 111 HZ1 LYS 111 21.375 -1.461 -5.703 792 HZ2 LYS 111 HZ2 LYS 111 22.431 -0.419 -6.531 793 HZ3 LYS 111 HZ3 LYS 111 22.844 -2.052 -6.310 794 H LEU 112 H LEU 112 17.917 2.679 -10.607 795 HA LEU 112 HA LEU 112 16.274 3.238 -9.007 796 HB2 LEU 112 HB2 LEU 112 14.909 2.845 -10.995 797 HB3 LEU 112 HB3 LEU 112 14.866 1.115 -10.652 798 HG LEU 112 HG LEU 112 13.994 2.904 -8.447 799 HD11 LEU 112 HD11 LEU 112 12.291 2.436 -10.915 800 HD12 LEU 112 HD12 LEU 112 12.988 3.985 -10.440 801 HD13 LEU 112 HD13 LEU 112 11.764 3.222 -9.427 802 HD21 LEU 112 HD21 LEU 112 13.469 0.189 -9.531 803 HD22 LEU 112 HD22 LEU 112 12.097 0.992 -8.764 804 HD23 LEU 112 HD23 LEU 112 13.586 0.731 -7.856 805 H VAL 113 H VAL 113 17.239 2.440 -7.071 806 HA VAL 113 HA VAL 113 16.001 -0.093 -6.100 807 HB VAL 113 HB VAL 113 18.469 -0.314 -6.808 808 HG11 VAL 113 HG11 VAL 113 20.132 0.553 -5.294 809 HG12 VAL 113 HG12 VAL 113 18.892 1.146 -4.189 810 HG13 VAL 113 HG13 VAL 113 19.101 1.903 -5.768 811 HG21 VAL 113 HG21 VAL 113 17.054 -1.230 -4.427 812 HG22 VAL 113 HG22 VAL 113 18.802 -1.228 -4.193 813 HG23 VAL 113 HG23 VAL 113 18.092 -2.136 -5.528 814 H GLU 114 H GLU 114 16.262 3.160 -5.682 815 HA GLU 114 HA GLU 114 16.226 3.019 -2.706 816 HB2 GLU 114 HB2 GLU 114 16.364 5.429 -4.545 817 HB3 GLU 114 HB3 GLU 114 16.478 5.466 -2.785 818 HG2 GLU 114 HG2 GLU 114 18.505 4.056 -2.889 819 HG3 GLU 114 HG3 GLU 114 18.389 4.020 -4.648 820 H ASN 115 H ASN 115 14.422 4.649 -5.337 821 HA ASN 115 HA ASN 115 11.849 3.803 -4.519 822 HB2 ASN 115 HB2 ASN 115 12.984 6.011 -2.946 823 HB3 ASN 115 HB3 ASN 115 11.421 6.397 -3.664 824 HD21 ASN 115 HD21 ASN 115 11.895 5.948 -0.800 825 HD22 ASN 115 HD22 ASN 115 10.886 4.654 -0.372 826 H GLY 116 H GLY 116 11.992 3.796 -6.902 827 HA2 GLY 116 HA3 GLY 116 10.966 4.800 -8.828 828 HA3 GLY 116 HA2 GLY 116 11.028 6.363 -8.014 829 H GLY 117 H GLY 117 13.957 4.748 -7.644 830 HA2 GLY 117 HA2 GLY 117 16.083 5.138 -8.547 831 HA3 GLY 117 HA3 GLY 117 15.276 5.181 -10.115 832 H MET 118 H MET 118 14.475 7.387 -7.495 833 HA MET 118 HA MET 118 15.739 9.590 -9.077 834 HB2 MET 118 HB2 MET 118 13.121 9.604 -7.544 835 HB3 MET 118 HB3 MET 118 13.866 11.033 -8.263 836 HG2 MET 118 HG2 MET 118 13.849 9.787 -10.479 837 HG3 MET 118 HG3 MET 118 12.843 8.569 -9.695 838 HE1 MET 118 HE1 MET 118 13.474 12.217 -9.880 839 HE2 MET 118 HE2 MET 118 11.934 13.012 -10.197 840 HE3 MET 118 HE3 MET 118 12.750 12.141 -11.493 841 H PHE 119 H PHE 119 17.275 10.656 -7.941 842 HA PHE 119 HA PHE 119 16.931 10.969 -5.007 843 HB2 PHE 119 HB3 PHE 119 19.311 10.355 -4.635 844 HB3 PHE 119 HB2 PHE 119 18.376 9.001 -5.269 845 HD1 PHE 119 HD1 PHE 119 21.064 11.385 -5.924 846 HD2 PHE 119 HD2 PHE 119 18.570 8.351 -7.663 847 HE1 PHE 119 HE1 PHE 119 22.616 11.214 -7.851 848 HE2 PHE 119 HE2 PHE 119 20.121 8.181 -9.591 849 HZ PHE 119 HZ PHE 119 22.144 9.613 -9.684 850 H VAL 120 H VAL 120 17.626 12.969 -4.299 851 HA VAL 120 HA VAL 120 18.776 14.765 -6.390 852 HB VAL 120 HB VAL 120 16.636 15.530 -5.529 853 HG11 VAL 120 HG11 VAL 120 17.631 14.404 -3.108 854 HG12 VAL 120 HG12 VAL 120 16.028 15.071 -3.412 855 HG13 VAL 120 HG13 VAL 120 17.316 16.112 -2.807 856 HG21 VAL 120 HG21 VAL 120 18.530 17.186 -5.899 857 HG22 VAL 120 HG22 VAL 120 18.789 17.155 -4.156 858 HG23 VAL 120 HG23 VAL 120 17.256 17.735 -4.810 859 H CYS 121 H CYS 121 20.525 16.163 -5.810 860 HA CYS 121 HA CYS 121 21.756 16.014 -3.175 861 HB2 CYS 121 HB3 CYS 121 22.759 14.347 -5.439 862 HB3 CYS 121 HB2 CYS 121 23.963 15.171 -4.447 863 HG CYS 121 HG CYS 121 22.764 13.982 -2.332 864 H LYS 122 H LYS 122 23.929 17.267 -3.261 865 HA LYS 122 HA LYS 122 23.464 19.756 -4.650 866 HB2 LYS 122 HB2 LYS 122 24.736 19.424 -2.446 867 HB3 LYS 122 HB3 LYS 122 26.093 18.884 -3.436 868 HG2 LYS 122 HG3 LYS 122 25.991 21.034 -4.693 869 HG3 LYS 122 HG2 LYS 122 24.699 21.573 -3.621 870 HD2 LYS 122 HD2 LYS 122 26.209 21.340 -1.681 871 HD3 LYS 122 HD3 LYS 122 27.501 20.798 -2.752 872 HE2 LYS 122 HE2 LYS 122 28.071 22.985 -2.908 873 HE3 LYS 122 HE3 LYS 122 26.655 23.149 -3.946 874 HZ1 LYS 122 HZ1 LYS 122 27.087 24.159 -1.324 875 HZ2 LYS 122 HZ2 LYS 122 25.681 23.208 -1.380 876 HZ3 LYS 122 HZ3 LYS 122 25.855 24.533 -2.429 877 H THR 123 H THR 123 24.020 20.241 -6.713 878 HA THR 123 HA THR 123 24.975 18.511 -8.633 879 HB THR 123 HB THR 123 25.607 20.434 -9.958 880 HG1 THR 123 HG1 THR 123 26.872 21.448 -8.345 881 HG21 THR 123 HG21 THR 123 23.485 21.199 -10.078 882 HG22 THR 123 HG22 THR 123 23.545 21.841 -8.436 883 HG23 THR 123 HG23 THR 123 23.148 20.144 -8.705 884 H ARG 124 H ARG 124 26.854 20.141 -6.167 885 HA ARG 124 HA ARG 124 29.448 19.740 -7.332 886 HB2 ARG 124 HB2 ARG 124 29.055 21.270 -5.428 887 HB3 ARG 124 HB3 ARG 124 28.670 19.888 -4.403 888 HG2 ARG 124 HG3 ARG 124 30.953 18.966 -4.887 889 HG3 ARG 124 HG2 ARG 124 31.322 20.452 -5.762 890 HD2 ARG 124 HD3 ARG 124 30.789 21.742 -3.676 891 HD3 ARG 124 HD2 ARG 124 30.599 20.209 -2.827 892 HE ARG 124 HE ARG 124 33.183 20.908 -4.154 893 HH11 ARG 124 HH11 ARG 124 33.794 18.526 -3.046 894 HH12 ARG 124 HH12 ARG 124 34.049 18.767 -1.350 895 HH21 ARG 124 HH21 ARG 124 32.429 21.833 -1.273 896 HH22 ARG 124 HH22 ARG 124 33.276 20.639 -0.346 897 H HIS 125 H HIS 125 27.407 17.719 -5.242 898 HA HIS 125 HA HIS 125 29.349 15.675 -4.754 899 HB2 HIS 125 HB2 HIS 125 26.322 15.539 -4.886 900 HB3 HIS 125 HB3 HIS 125 27.348 14.228 -4.302 901 HD1 HIS 125 HD1 HIS 125 25.358 15.563 -2.364 902 HD2 HIS 125 HD2 HIS 125 29.318 16.791 -2.800 903 HE1 HIS 125 HE1 HIS 125 25.971 16.777 -0.228 904 H LEU 126 H LEU 126 27.045 16.194 -7.398 905 HA LEU 126 HA LEU 126 27.876 13.676 -8.697 906 HB2 LEU 126 HB2 LEU 126 26.072 15.836 -9.816 907 HB3 LEU 126 HB3 LEU 126 26.169 14.148 -10.320 908 HG LEU 126 HG LEU 126 25.631 14.440 -7.456 909 HD11 LEU 126 HD21 LEU 126 23.421 15.353 -7.602 910 HD12 LEU 126 HD22 LEU 126 23.464 15.348 -9.364 911 HD13 LEU 126 HD23 LEU 126 24.472 16.478 -8.460 912 HD21 LEU 126 HD11 LEU 126 24.168 13.078 -9.740 913 HD22 LEU 126 HD12 LEU 126 23.865 12.807 -8.024 914 HD23 LEU 126 HD13 LEU 126 25.411 12.338 -8.733 915 H VAL 127 H VAL 127 28.925 13.648 -10.775 916 HA VAL 127 HA VAL 127 30.323 16.205 -11.456 917 HB VAL 127 HB VAL 127 31.840 14.531 -10.400 918 HG11 VAL 127 HG21 VAL 127 31.722 12.353 -10.959 919 HG12 VAL 127 HG22 VAL 127 32.003 12.736 -12.658 920 HG13 VAL 127 HG23 VAL 127 30.361 12.742 -12.012 921 HG21 VAL 127 HG11 VAL 127 32.322 14.959 -13.366 922 HG22 VAL 127 HG12 VAL 127 33.556 14.596 -12.161 923 HG23 VAL 127 HG13 VAL 127 32.687 16.129 -12.097 924 H LEU 128 H LEU 128 30.281 16.769 -13.614 925 HA LEU 128 HA LEU 128 28.502 15.252 -15.368 926 HB2 LEU 128 HB3 LEU 128 28.593 17.753 -15.358 927 HB3 LEU 128 HB2 LEU 128 30.231 17.662 -16.007 928 HG LEU 128 HG LEU 128 29.253 16.260 -17.906 929 HD11 LEU 128 HD11 LEU 128 27.084 15.945 -16.466 930 HD12 LEU 128 HD12 LEU 128 26.935 16.140 -18.212 931 HD13 LEU 128 HD13 LEU 128 26.626 17.509 -17.142 932 HD21 LEU 128 HD21 LEU 128 29.254 19.095 -17.450 933 HD22 LEU 128 HD22 LEU 128 27.857 18.679 -18.444 934 HD23 LEU 128 HD23 LEU 128 29.479 18.230 -18.971 935 H ALA 129 H ALA 129 29.182 13.608 -16.648 936 HA ALA 129 HA ALA 129 31.945 12.857 -16.862 937 HB1 ALA 129 HB1 ALA 129 31.189 11.033 -18.095 938 HB2 ALA 129 HB2 ALA 129 29.918 11.967 -18.888 939 HB3 ALA 129 HB3 ALA 129 29.725 11.463 -17.209 940 H GLY 130 H GLY 130 29.798 14.768 -18.907 941 HA2 GLY 130 HA2 GLY 130 30.813 16.527 -20.309 942 HA3 GLY 130 HA3 GLY 130 32.174 15.440 -20.590 Start of MODEL 14 1 H GLN 16 H GLN 16 -4.009 11.728 -12.628 2 HA GLN 16 HA GLN 16 -5.271 13.882 -12.302 3 HB2 GLN 16 HB3 GLN 16 -4.134 13.550 -9.508 4 HB3 GLN 16 HB2 GLN 16 -5.018 14.965 -10.078 5 HG2 GLN 16 HG2 GLN 16 -6.997 13.586 -10.512 6 HG3 GLN 16 HG3 GLN 16 -6.116 12.137 -10.025 7 HE21 GLN 16 HE21 GLN 16 -8.491 12.924 -8.646 8 HE22 GLN 16 HE22 GLN 16 -8.076 13.442 -7.084 9 H HIS 17 H HIS 17 -2.069 12.907 -11.151 10 HA HIS 17 HA HIS 17 -0.975 15.410 -12.377 11 HB2 HIS 17 HB3 HIS 17 0.092 13.711 -10.104 12 HB3 HIS 17 HB2 HIS 17 0.997 15.022 -10.856 13 HD1 HIS 17 HD1 HIS 17 -2.249 16.264 -11.067 14 HD2 HIS 17 HD2 HIS 17 0.335 15.738 -7.838 15 HE1 HIS 17 HE1 HIS 17 -3.067 17.810 -9.236 16 H GLU 18 H GLU 18 1.709 14.584 -12.504 17 HA GLU 18 HA GLU 18 1.575 12.207 -14.311 18 HB2 GLU 18 HB3 GLU 18 3.137 14.770 -14.758 19 HB3 GLU 18 HB2 GLU 18 3.220 13.338 -15.783 20 HG2 GLU 18 HG2 GLU 18 0.790 13.540 -16.236 21 HG3 GLU 18 HG3 GLU 18 0.738 14.998 -15.246 22 H TRP 19 H TRP 19 3.872 11.331 -14.708 23 HA TRP 19 HA TRP 19 5.231 11.174 -12.076 24 HB2 TRP 19 HB2 TRP 19 4.558 9.121 -13.454 25 HB3 TRP 19 HB3 TRP 19 5.854 9.566 -14.560 26 HD1 TRP 19 HD1 TRP 19 5.206 8.187 -11.087 27 HE1 TRP 19 HE1 TRP 19 7.423 7.326 -10.093 28 HE3 TRP 19 HE3 TRP 19 8.483 9.927 -14.597 29 HZ2 TRP 19 HZ2 TRP 19 10.216 7.366 -10.705 30 HZ3 TRP 19 HZ3 TRP 19 10.913 9.502 -14.367 31 HH2 TRP 19 HH2 TRP 19 11.784 8.226 -12.427 32 H GLY 20 H GLY 20 7.151 12.201 -11.726 33 HA2 GLY 20 HA3 GLY 20 9.417 12.778 -12.505 34 HA3 GLY 20 HA2 GLY 20 8.736 13.054 -14.109 35 H GLU 21 H GLU 21 6.592 14.240 -11.835 36 HA GLU 21 HA GLU 21 7.274 17.003 -12.512 37 HB2 GLU 21 HB3 GLU 21 4.914 16.227 -12.315 38 HB3 GLU 21 HB2 GLU 21 5.177 15.937 -10.594 39 HG2 GLU 21 HG3 GLU 21 5.797 18.344 -10.329 40 HG3 GLU 21 HG2 GLU 21 5.395 18.602 -12.026 41 H LEU 22 H LEU 22 8.443 18.390 -11.252 42 HA LEU 22 HA LEU 22 9.461 17.354 -8.663 43 HB2 LEU 22 HB2 LEU 22 11.073 18.242 -10.345 44 HB3 LEU 22 HB3 LEU 22 10.287 19.818 -10.229 45 HG LEU 22 HG LEU 22 10.757 19.740 -7.733 46 HD11 LEU 22 HD11 LEU 22 12.791 17.631 -8.443 47 HD12 LEU 22 HD12 LEU 22 11.174 17.177 -7.905 48 HD13 LEU 22 HD13 LEU 22 12.223 18.121 -6.846 49 HD21 LEU 22 HD21 LEU 22 13.177 20.314 -8.032 50 HD22 LEU 22 HD22 LEU 22 12.132 21.104 -9.212 51 HD23 LEU 22 HD23 LEU 22 13.083 19.694 -9.679 52 H VAL 23 H VAL 23 9.204 18.550 -6.715 53 HA VAL 23 HA VAL 23 7.447 20.946 -6.834 54 HB VAL 23 HB VAL 23 5.997 20.046 -5.064 55 HG11 VAL 23 HG21 VAL 23 5.115 19.638 -7.217 56 HG12 VAL 23 HG22 VAL 23 5.060 18.057 -6.438 57 HG13 VAL 23 HG23 VAL 23 6.344 18.428 -7.586 58 HG21 VAL 23 HG11 VAL 23 7.700 17.556 -5.395 59 HG22 VAL 23 HG12 VAL 23 6.208 17.634 -4.458 60 HG23 VAL 23 HG13 VAL 23 7.611 18.579 -3.961 61 H GLN 24 H GLN 24 7.833 22.405 -5.144 62 HA GLN 24 HA GLN 24 10.230 21.792 -3.494 63 HB2 GLN 24 HB3 GLN 24 10.338 23.866 -4.780 64 HB3 GLN 24 HB2 GLN 24 8.814 24.410 -4.080 65 HG2 GLN 24 HG2 GLN 24 9.794 24.539 -1.876 66 HG3 GLN 24 HG3 GLN 24 11.275 23.761 -2.433 67 HE21 GLN 24 HE21 GLN 24 12.084 25.986 -1.418 68 HE22 GLN 24 HE22 GLN 24 12.264 27.250 -2.537 69 H LEU 25 H LEU 25 9.722 20.930 -1.537 70 HA LEU 25 HA LEU 25 7.135 21.367 -0.284 71 HB2 LEU 25 HB2 LEU 25 9.688 20.037 0.653 72 HB3 LEU 25 HB3 LEU 25 8.235 20.133 1.650 73 HG LEU 25 HG LEU 25 7.002 19.103 -0.367 74 HD11 LEU 25 HD21 LEU 25 8.420 19.177 -2.190 75 HD12 LEU 25 HD22 LEU 25 8.821 17.570 -1.584 76 HD13 LEU 25 HD23 LEU 25 9.865 18.940 -1.207 77 HD21 LEU 25 HD11 LEU 25 7.976 16.779 0.225 78 HD22 LEU 25 HD12 LEU 25 7.279 17.728 1.538 79 HD23 LEU 25 HD13 LEU 25 9.029 17.654 1.336 80 H ASP 26 H ASP 26 10.399 22.678 0.124 81 HA ASP 26 HA ASP 26 9.223 24.828 1.804 82 HB2 ASP 26 HB3 ASP 26 10.983 22.730 2.759 83 HB3 ASP 26 HB2 ASP 26 11.746 24.309 2.938 84 HA PRO 27 HA PRO 27 11.992 27.570 -0.313 85 HB2 PRO 27 HB3 PRO 27 13.302 28.943 1.616 86 HB3 PRO 27 HB2 PRO 27 11.598 29.207 1.237 87 HG2 PRO 27 HG2 PRO 27 12.823 27.579 3.436 88 HG3 PRO 27 HG3 PRO 27 11.460 28.700 3.512 89 HD2 PRO 27 HD2 PRO 27 11.092 26.034 3.394 90 HD3 PRO 27 HD3 PRO 27 9.975 27.158 2.619 91 H GLN 28 H GLN 28 13.268 25.086 1.584 92 HA GLN 28 HA GLN 28 15.890 25.374 0.215 93 HB2 GLN 28 HB2 GLN 28 15.535 24.872 3.187 94 HB3 GLN 28 HB3 GLN 28 17.067 24.752 2.322 95 HG2 GLN 28 HG3 GLN 28 16.895 27.119 1.665 96 HG3 GLN 28 HG2 GLN 28 15.343 27.243 2.495 97 HE21 GLN 28 HE21 GLN 28 17.597 28.867 3.247 98 HE22 GLN 28 HE22 GLN 28 18.118 28.387 4.789 99 H THR 29 H THR 29 13.271 23.563 0.502 100 HA THR 29 HA THR 29 14.824 21.019 0.297 101 HB THR 29 HB THR 29 12.134 21.354 1.661 102 HG1 THR 29 HG1 THR 29 13.320 21.780 3.319 103 HG21 THR 29 HG21 THR 29 12.577 18.965 2.329 104 HG22 THR 29 HG22 THR 29 13.936 18.963 1.205 105 HG23 THR 29 HG23 THR 29 12.293 19.189 0.603 106 H VAL 30 H VAL 30 14.312 19.849 -1.512 107 HA VAL 30 HA VAL 30 11.819 20.616 -2.978 108 HB VAL 30 HB VAL 30 13.051 20.216 -5.085 109 HG11 VAL 30 HG21 VAL 30 14.046 22.234 -3.092 110 HG12 VAL 30 HG22 VAL 30 13.074 22.490 -4.542 111 HG13 VAL 30 HG23 VAL 30 14.797 22.139 -4.686 112 HG21 VAL 30 HG11 VAL 30 15.153 19.339 -5.158 113 HG22 VAL 30 HG12 VAL 30 14.782 18.771 -3.531 114 HG23 VAL 30 HG13 VAL 30 15.690 20.266 -3.757 115 H GLY 31 H GLY 31 10.853 18.870 -4.224 116 HA2 GLY 31 HA2 GLY 31 11.879 16.142 -3.633 117 HA3 GLY 31 HA3 GLY 31 10.227 16.532 -3.152 118 H VAL 32 H VAL 32 10.765 14.496 -5.028 119 HA VAL 32 HA VAL 32 9.629 15.729 -7.505 120 HB VAL 32 HB VAL 32 11.251 13.220 -7.688 121 HG11 VAL 32 HG11 VAL 32 9.902 14.549 -9.534 122 HG12 VAL 32 HG12 VAL 32 11.473 13.846 -9.916 123 HG13 VAL 32 HG13 VAL 32 11.343 15.567 -9.552 124 HG21 VAL 32 HG21 VAL 32 13.110 15.154 -8.242 125 HG22 VAL 32 HG22 VAL 32 13.019 14.274 -6.717 126 HG23 VAL 32 HG23 VAL 32 12.272 15.864 -6.861 127 H ILE 33 H ILE 33 7.800 14.714 -8.276 128 HA ILE 33 HA ILE 33 6.427 12.828 -6.603 129 HB ILE 33 HB ILE 33 5.937 13.605 -9.495 130 HG12 ILE 33 HG12 ILE 33 4.694 14.567 -6.898 131 HG13 ILE 33 HG13 ILE 33 5.819 15.486 -7.898 132 HG21 ILE 33 HG21 ILE 33 4.492 11.861 -9.445 133 HG22 ILE 33 HG22 ILE 33 3.532 12.851 -8.346 134 HG23 ILE 33 HG23 ILE 33 4.666 11.664 -7.702 135 HD11 ILE 33 HD11 ILE 33 3.781 14.590 -9.639 136 HD12 ILE 33 HD12 ILE 33 4.063 16.241 -9.088 137 HD13 ILE 33 HD13 ILE 33 2.962 15.190 -8.198 138 H VAL 34 H VAL 34 6.236 10.593 -6.782 139 HA VAL 34 HA VAL 34 7.741 9.274 -8.999 140 HB VAL 34 HB VAL 34 7.854 7.858 -6.416 141 HG11 VAL 34 HG21 VAL 34 9.083 7.039 -8.315 142 HG12 VAL 34 HG22 VAL 34 10.266 7.676 -7.173 143 HG13 VAL 34 HG23 VAL 34 9.816 8.619 -8.594 144 HG21 VAL 34 HG11 VAL 34 9.522 10.364 -6.774 145 HG22 VAL 34 HG12 VAL 34 9.520 9.272 -5.389 146 HG23 VAL 34 HG13 VAL 34 8.108 10.275 -5.722 147 H ARG 35 H ARG 35 5.242 9.052 -6.504 148 HA ARG 35 HA ARG 35 3.950 6.927 -8.156 149 HB2 ARG 35 HB2 ARG 35 4.158 7.038 -5.132 150 HB3 ARG 35 HB3 ARG 35 3.125 5.915 -6.017 151 HG2 ARG 35 HG2 ARG 35 5.148 5.063 -7.211 152 HG3 ARG 35 HG3 ARG 35 6.145 6.118 -6.211 153 HD2 ARG 35 HD3 ARG 35 5.150 4.983 -4.181 154 HD3 ARG 35 HD2 ARG 35 4.393 3.829 -5.278 155 HE ARG 35 HE ARG 35 7.346 4.172 -5.391 156 HH11 ARG 35 HH11 ARG 35 4.734 2.455 -4.014 157 HH12 ARG 35 HH12 ARG 35 5.474 0.898 -4.185 158 HH21 ARG 35 HH21 ARG 35 8.229 2.103 -5.912 159 HH22 ARG 35 HH22 ARG 35 7.453 0.699 -5.258 160 H LEU 36 H LEU 36 2.024 7.684 -8.863 161 HA LEU 36 HA LEU 36 0.758 9.948 -7.439 162 HB2 LEU 36 HB2 LEU 36 -0.154 8.598 -9.995 163 HB3 LEU 36 HB3 LEU 36 -0.637 10.182 -9.394 164 HG LEU 36 HG LEU 36 0.983 10.715 -11.007 165 HD11 LEU 36 HD21 LEU 36 2.960 10.430 -8.798 166 HD12 LEU 36 HD22 LEU 36 1.510 11.374 -8.463 167 HD13 LEU 36 HD23 LEU 36 2.575 11.837 -9.789 168 HD21 LEU 36 HD11 LEU 36 2.753 9.374 -11.652 169 HD22 LEU 36 HD12 LEU 36 1.682 8.142 -10.981 170 HD23 LEU 36 HD13 LEU 36 3.021 8.767 -10.018 171 H GLU 37 H GLU 37 -0.926 9.637 -6.065 172 HA GLU 37 HA GLU 37 -2.141 6.925 -5.951 173 HB2 GLU 37 HB2 GLU 37 -2.330 9.235 -3.990 174 HB3 GLU 37 HB3 GLU 37 -2.956 7.606 -3.734 175 HG2 GLU 37 HG2 GLU 37 -0.537 6.812 -4.174 176 HG3 GLU 37 HG3 GLU 37 -0.079 8.498 -3.935 177 H ARG 38 H ARG 38 -4.602 7.358 -4.940 178 HA ARG 38 HA ARG 38 -6.060 8.388 -7.226 179 HB2 ARG 38 HB2 ARG 38 -6.926 6.503 -5.910 180 HB3 ARG 38 HB3 ARG 38 -7.036 7.535 -4.485 181 HG2 ARG 38 HG3 ARG 38 -9.233 7.511 -5.405 182 HG3 ARG 38 HG2 ARG 38 -8.543 9.057 -5.899 183 HD2 ARG 38 HD2 ARG 38 -7.920 8.066 -8.083 184 HD3 ARG 38 HD3 ARG 38 -8.648 6.538 -7.588 185 HE ARG 38 HE ARG 38 -10.840 7.649 -7.625 186 HH11 ARG 38 HH11 ARG 38 -10.353 8.046 -10.372 187 HH12 ARG 38 HH12 ARG 38 -10.349 9.764 -10.599 188 HH21 ARG 38 HH21 ARG 38 -9.884 10.474 -7.238 189 HH22 ARG 38 HH22 ARG 38 -10.084 11.139 -8.824 190 H GLU 39 H GLU 39 -5.216 9.629 -4.038 191 HA GLU 39 HA GLU 39 -6.366 12.253 -4.874 192 HB2 GLU 39 HB2 GLU 39 -6.617 10.988 -2.129 193 HB3 GLU 39 HB3 GLU 39 -7.124 12.626 -2.541 194 HG2 GLU 39 HG2 GLU 39 -8.690 11.707 -4.226 195 HG3 GLU 39 HG3 GLU 39 -8.195 10.072 -3.782 196 H THR 40 H THR 40 -4.037 10.483 -2.879 197 HA THR 40 HA THR 40 -2.606 13.011 -2.282 198 HB THR 40 HB THR 40 -1.102 10.945 -1.217 199 HG1 THR 40 HG1 THR 40 -2.743 9.646 -0.216 200 HG21 THR 40 HG21 THR 40 -1.621 12.902 0.043 201 HG22 THR 40 HG22 THR 40 -2.360 11.563 0.921 202 HG23 THR 40 HG23 THR 40 -3.356 12.612 -0.089 203 H PHE 41 H PHE 41 -0.059 12.646 -2.422 204 HA PHE 41 HA PHE 41 0.606 11.206 -4.945 205 HB2 PHE 41 HB2 PHE 41 1.272 14.097 -4.306 206 HB3 PHE 41 HB3 PHE 41 1.986 13.188 -5.638 207 HD1 PHE 41 HD1 PHE 41 0.268 11.995 -7.250 208 HD2 PHE 41 HD2 PHE 41 -0.699 15.295 -4.677 209 HE1 PHE 41 HE1 PHE 41 -1.693 12.526 -8.669 210 HE2 PHE 41 HE2 PHE 41 -2.664 15.824 -6.095 211 HZ PHE 41 HZ PHE 41 -3.158 14.440 -8.093 212 H GLN 42 H GLN 42 2.819 10.537 -5.050 213 HA GLN 42 HA GLN 42 4.207 10.629 -2.409 214 HB2 GLN 42 HB2 GLN 42 3.602 8.386 -3.451 215 HB3 GLN 42 HB3 GLN 42 4.775 8.753 -4.717 216 HG2 GLN 42 HG2 GLN 42 6.512 9.063 -2.935 217 HG3 GLN 42 HG3 GLN 42 5.328 8.526 -1.744 218 HE21 GLN 42 HE21 GLN 42 5.350 6.311 -1.343 219 HE22 GLN 42 HE22 GLN 42 5.977 5.136 -2.397 220 H VAL 43 H VAL 43 6.003 11.888 -2.287 221 HA VAL 43 HA VAL 43 7.411 12.536 -4.848 222 HB VAL 43 HB VAL 43 7.056 14.346 -2.440 223 HG11 VAL 43 HG11 VAL 43 8.329 15.917 -3.565 224 HG12 VAL 43 HG12 VAL 43 7.931 15.257 -5.152 225 HG13 VAL 43 HG13 VAL 43 9.111 14.438 -4.128 226 HG21 VAL 43 HG21 VAL 43 5.782 15.613 -4.443 227 HG22 VAL 43 HG22 VAL 43 4.955 14.486 -3.368 228 HG23 VAL 43 HG23 VAL 43 5.506 13.948 -4.954 229 H LEU 44 H LEU 44 9.688 12.599 -4.750 230 HA LEU 44 HA LEU 44 10.863 11.120 -2.485 231 HB2 LEU 44 HB2 LEU 44 11.491 10.584 -4.842 232 HB3 LEU 44 HB3 LEU 44 12.183 12.200 -4.996 233 HG LEU 44 HG LEU 44 13.623 11.626 -2.962 234 HD11 LEU 44 HD11 LEU 44 13.072 8.760 -3.681 235 HD12 LEU 44 HD12 LEU 44 12.034 9.580 -2.515 236 HD13 LEU 44 HD13 LEU 44 13.762 9.421 -2.199 237 HD21 LEU 44 HD21 LEU 44 14.509 11.643 -5.262 238 HD22 LEU 44 HD22 LEU 44 13.962 9.982 -5.490 239 HD23 LEU 44 HD23 LEU 44 15.237 10.340 -4.325 240 H ASN 45 H ASN 45 11.523 12.268 -0.734 241 HA ASN 45 HA ASN 45 11.885 15.125 -0.779 242 HB2 ASN 45 HB2 ASN 45 12.745 13.069 1.280 243 HB3 ASN 45 HB3 ASN 45 12.724 14.813 1.539 244 HD21 ASN 45 HD21 ASN 45 11.104 13.037 3.119 245 HD22 ASN 45 HD22 ASN 45 9.476 13.358 2.762 246 H MET 46 H MET 46 13.744 16.330 -0.959 247 HA MET 46 HA MET 46 15.945 15.486 -2.433 248 HB2 MET 46 HB2 MET 46 15.639 17.830 -2.041 249 HB3 MET 46 HB3 MET 46 15.755 17.619 -0.294 250 HG2 MET 46 HG2 MET 46 18.106 16.884 -0.548 251 HG3 MET 46 HG3 MET 46 17.988 17.129 -2.291 252 HE1 MET 46 HE1 MET 46 17.676 18.272 1.069 253 HE2 MET 46 HE2 MET 46 16.905 19.849 0.914 254 HE3 MET 46 HE3 MET 46 18.649 19.747 1.145 255 H TYR 47 H TYR 47 15.468 15.211 1.067 256 HA TYR 47 HA TYR 47 18.125 14.462 1.762 257 HB2 TYR 47 HB2 TYR 47 15.477 13.623 2.982 258 HB3 TYR 47 HB3 TYR 47 17.049 13.324 3.721 259 HD1 TYR 47 HD1 TYR 47 17.685 16.251 2.112 260 HD2 TYR 47 HD2 TYR 47 15.264 14.806 5.355 261 HE1 TYR 47 HE1 TYR 47 17.653 18.523 3.101 262 HE2 TYR 47 HE2 TYR 47 15.234 17.079 6.343 263 HH TYR 47 HH TYR 47 17.252 19.344 5.806 264 H GLY 48 H GLY 48 15.817 12.854 -0.154 265 HA2 GLY 48 HA2 GLY 48 16.337 10.874 -1.422 266 HA3 GLY 48 HA3 GLY 48 17.537 10.442 -0.204 267 H LYS 49 H LYS 49 14.203 11.470 0.382 268 HA LYS 49 HA LYS 49 13.572 8.699 1.313 269 HB2 LYS 49 HB2 LYS 49 14.146 10.162 3.253 270 HB3 LYS 49 HB3 LYS 49 12.849 11.258 2.774 271 HG2 LYS 49 HG2 LYS 49 11.235 9.354 2.982 272 HG3 LYS 49 HG3 LYS 49 12.552 8.353 3.595 273 HD2 LYS 49 HD2 LYS 49 12.908 10.073 5.406 274 HD3 LYS 49 HD3 LYS 49 11.445 10.883 4.847 275 HE2 LYS 49 HE2 LYS 49 10.645 8.239 5.082 276 HE3 LYS 49 HE3 LYS 49 11.728 8.451 6.457 277 HZ1 LYS 49 HZ1 LYS 49 9.173 9.148 6.504 278 HZ2 LYS 49 HZ2 LYS 49 9.846 10.609 5.958 279 HZ3 LYS 49 HZ3 LYS 49 10.360 9.932 7.429 280 H VAL 50 H VAL 50 11.584 7.992 0.629 281 HA VAL 50 HA VAL 50 9.945 9.899 -0.943 282 HB VAL 50 HB VAL 50 9.507 6.921 -0.642 283 HG11 VAL 50 HG11 VAL 50 7.645 8.107 -1.630 284 HG12 VAL 50 HG12 VAL 50 8.496 7.264 -2.924 285 HG13 VAL 50 HG13 VAL 50 8.723 9.000 -2.704 286 HG21 VAL 50 HG21 VAL 50 11.849 7.953 -1.557 287 HG22 VAL 50 HG22 VAL 50 10.898 7.970 -3.041 288 HG23 VAL 50 HG23 VAL 50 11.143 6.457 -2.169 289 H VAL 51 H VAL 51 7.931 10.563 -0.273 290 HA VAL 51 HA VAL 51 6.556 9.118 1.902 291 HB VAL 51 HB VAL 51 8.102 10.724 3.040 292 HG11 VAL 51 HG11 VAL 51 7.602 13.145 2.815 293 HG12 VAL 51 HG12 VAL 51 6.435 12.774 1.546 294 HG13 VAL 51 HG13 VAL 51 8.150 12.448 1.290 295 HG21 VAL 51 HG21 VAL 51 5.290 10.395 3.390 296 HG22 VAL 51 HG22 VAL 51 5.680 12.077 3.751 297 HG23 VAL 51 HG23 VAL 51 6.498 10.777 4.616 298 H THR 52 H THR 52 4.333 9.381 1.757 299 HA THR 52 HA THR 52 3.307 10.697 -0.635 300 HB THR 52 HB THR 52 1.735 9.518 1.674 301 HG1 THR 52 HG1 THR 52 1.760 7.630 0.369 302 HG21 THR 52 HG21 THR 52 -0.022 9.258 0.012 303 HG22 THR 52 HG22 THR 52 1.044 9.862 -1.257 304 HG23 THR 52 HG23 THR 52 0.503 10.942 0.029 305 H VAL 53 H VAL 53 2.344 12.694 -0.754 306 HA VAL 53 HA VAL 53 1.685 14.086 1.797 307 HB VAL 53 HB VAL 53 2.780 16.126 1.027 308 HG11 VAL 53 HG21 VAL 53 4.998 14.288 0.456 309 HG12 VAL 53 HG22 VAL 53 4.072 13.840 1.888 310 HG13 VAL 53 HG23 VAL 53 4.808 15.440 1.777 311 HG21 VAL 53 HG11 VAL 53 2.401 15.786 -1.392 312 HG22 VAL 53 HG12 VAL 53 3.583 14.476 -1.390 313 HG23 VAL 53 HG13 VAL 53 4.098 16.130 -1.058 314 H ARG 54 H ARG 54 -0.089 15.492 1.625 315 HA ARG 54 HA ARG 54 -1.960 14.993 -0.484 316 HB2 ARG 54 HB2 ARG 54 -1.860 17.287 1.501 317 HB3 ARG 54 HB3 ARG 54 -3.257 16.849 0.520 318 HG2 ARG 54 HG2 ARG 54 -3.293 14.612 1.579 319 HG3 ARG 54 HG3 ARG 54 -1.906 15.066 2.571 320 HD2 ARG 54 HD2 ARG 54 -3.881 15.406 3.912 321 HD3 ARG 54 HD3 ARG 54 -3.290 17.001 3.444 322 HE ARG 54 HE ARG 54 -5.146 17.193 1.903 323 HH11 ARG 54 HH11 ARG 54 -6.551 16.227 4.380 324 HH12 ARG 54 HH12 ARG 54 -7.525 14.937 3.757 325 HH21 ARG 54 HH21 ARG 54 -5.751 14.674 0.790 326 HH22 ARG 54 HH22 ARG 54 -7.072 14.058 1.724 327 H HIS 55 H HIS 55 -2.691 16.475 -2.146 328 HA HIS 55 HA HIS 55 -0.671 17.672 -3.692 329 HB2 HIS 55 HB3 HIS 55 -2.938 17.144 -4.548 330 HB3 HIS 55 HB2 HIS 55 -3.598 18.466 -3.585 331 HD1 HIS 55 HD1 HIS 55 -3.788 20.621 -4.814 332 HD2 HIS 55 HD2 HIS 55 -0.751 18.234 -6.383 333 HE1 HIS 55 HE1 HIS 55 -2.837 21.882 -6.794 334 H GLN 56 H GLN 56 -2.762 19.132 -1.217 335 HA GLN 56 HA GLN 56 -1.830 21.825 -1.607 336 HB2 GLN 56 HB2 GLN 56 -2.987 20.500 0.865 337 HB3 GLN 56 HB3 GLN 56 -2.795 22.239 0.641 338 HG2 GLN 56 HG3 GLN 56 -4.309 22.197 -1.274 339 HG3 GLN 56 HG2 GLN 56 -4.436 20.440 -1.169 340 HE21 GLN 56 HE21 GLN 56 -6.765 22.081 -0.942 341 HE22 GLN 56 HE22 GLN 56 -7.342 21.999 0.651 342 H ALA 57 H ALA 57 -0.434 19.051 -0.097 343 HA ALA 57 HA ALA 57 1.401 20.620 1.584 344 HB1 ALA 57 HB1 ALA 57 1.025 17.682 1.020 345 HB2 ALA 57 HB2 ALA 57 0.853 18.541 2.552 346 HB3 ALA 57 HB3 ALA 57 2.456 18.264 1.871 347 H VAL 58 H VAL 58 1.236 20.286 -1.623 348 HA VAL 58 HA VAL 58 4.210 20.178 -1.921 349 HB VAL 58 HB VAL 58 3.981 19.055 -4.013 350 HG11 VAL 58 HG21 VAL 58 1.808 17.762 -2.370 351 HG12 VAL 58 HG22 VAL 58 3.484 17.758 -1.822 352 HG13 VAL 58 HG23 VAL 58 3.053 16.989 -3.349 353 HG21 VAL 58 HG11 VAL 58 2.244 19.565 -5.347 354 HG22 VAL 58 HG12 VAL 58 1.407 20.342 -4.004 355 HG23 VAL 58 HG13 VAL 58 1.191 18.617 -4.295 356 H THR 59 H THR 59 4.844 21.324 -4.077 357 HA THR 59 HA THR 59 3.076 23.688 -4.523 358 HB THR 59 HB THR 59 4.952 25.185 -4.429 359 HG1 THR 59 HG1 THR 59 6.967 24.508 -4.551 360 HG21 THR 59 HG21 THR 59 3.996 24.438 -2.244 361 HG22 THR 59 HG22 THR 59 5.688 24.921 -2.128 362 HG23 THR 59 HG23 THR 59 5.260 23.211 -2.153 363 H ARG 60 H ARG 60 3.766 24.874 -6.585 364 HA ARG 60 HA ARG 60 4.734 22.886 -8.603 365 HB2 ARG 60 HB2 ARG 60 2.288 23.446 -8.779 366 HB3 ARG 60 HB3 ARG 60 2.741 25.126 -9.064 367 HG2 ARG 60 HG2 ARG 60 4.094 24.387 -11.028 368 HG3 ARG 60 HG3 ARG 60 3.521 22.740 -10.768 369 HD2 ARG 60 HD2 ARG 60 1.766 25.152 -11.327 370 HD3 ARG 60 HD3 ARG 60 2.165 23.883 -12.486 371 HE ARG 60 HE ARG 60 0.067 23.709 -10.592 372 HH11 ARG 60 HH11 ARG 60 -0.516 21.724 -9.602 373 HH12 ARG 60 HH12 ARG 60 0.256 20.271 -10.146 374 HH21 ARG 60 HH21 ARG 60 2.507 21.924 -12.202 375 HH22 ARG 60 HH22 ARG 60 1.968 20.385 -11.618 376 H LYS 61 H LYS 61 6.244 23.642 -10.102 377 HA LYS 61 HA LYS 61 7.141 26.472 -9.725 378 HB2 LYS 61 HB2 LYS 61 8.725 24.749 -8.805 379 HB3 LYS 61 HB3 LYS 61 8.887 24.096 -10.435 380 HG2 LYS 61 HG2 LYS 61 9.668 26.319 -11.223 381 HG3 LYS 61 HG3 LYS 61 9.559 26.926 -9.570 382 HD2 LYS 61 HD2 LYS 61 11.171 25.155 -8.857 383 HD3 LYS 61 HD3 LYS 61 11.335 24.668 -10.544 384 HE2 LYS 61 HE2 LYS 61 13.154 26.207 -9.869 385 HE3 LYS 61 HE3 LYS 61 12.144 26.918 -11.128 386 HZ1 LYS 61 HZ1 LYS 61 11.380 28.487 -9.748 387 HZ2 LYS 61 HZ2 LYS 61 12.758 28.129 -8.821 388 HZ3 LYS 61 HZ3 LYS 61 11.260 27.433 -8.425 389 H LYS 62 H LYS 62 7.255 27.670 -11.583 390 HA LYS 62 HA LYS 62 7.663 26.403 -14.188 391 HB2 LYS 62 HB2 LYS 62 5.204 26.079 -13.723 392 HB3 LYS 62 HB3 LYS 62 5.040 27.836 -13.679 393 HG2 LYS 62 HG2 LYS 62 5.951 27.961 -15.984 394 HG3 LYS 62 HG3 LYS 62 6.057 26.201 -16.025 395 HD2 LYS 62 HD2 LYS 62 3.595 26.087 -15.607 396 HD3 LYS 62 HD3 LYS 62 3.529 27.847 -15.707 397 HE2 LYS 62 HE2 LYS 62 4.767 26.243 -17.935 398 HE3 LYS 62 HE3 LYS 62 3.017 26.451 -17.854 399 HZ1 LYS 62 HZ1 LYS 62 3.259 28.797 -17.928 400 HZ2 LYS 62 HZ2 LYS 62 4.204 28.161 -19.188 401 HZ3 LYS 62 HZ3 LYS 62 4.944 28.704 -17.757 402 H ASP 63 H ASP 63 6.705 29.329 -12.401 403 HA ASP 63 HA ASP 63 7.137 31.324 -14.267 404 HB2 ASP 63 HB2 ASP 63 8.012 31.245 -11.367 405 HB3 ASP 63 HB3 ASP 63 8.049 32.706 -12.354 406 H ASN 64 H ASN 64 9.648 29.563 -12.451 407 HA ASN 64 HA ASN 64 11.653 30.714 -14.352 408 HB2 ASN 64 HB2 ASN 64 12.059 29.730 -11.511 409 HB3 ASN 64 HB3 ASN 64 13.335 30.325 -12.573 410 HD21 ASN 64 HD21 ASN 64 12.110 32.559 -13.749 411 HD22 ASN 64 HD22 ASN 64 11.745 33.704 -12.550 412 H ARG 65 H ARG 65 12.431 29.227 -15.760 413 HA ARG 65 HA ARG 65 11.780 26.449 -15.621 414 HB2 ARG 65 HB2 ARG 65 13.956 27.884 -17.174 415 HB3 ARG 65 HB3 ARG 65 13.486 26.204 -17.436 416 HG2 ARG 65 HG2 ARG 65 11.153 26.970 -17.892 417 HG3 ARG 65 HG3 ARG 65 11.700 28.639 -17.735 418 HD2 ARG 65 HD2 ARG 65 12.642 26.608 -19.780 419 HD3 ARG 65 HD3 ARG 65 11.676 28.050 -20.095 420 HE ARG 65 HE ARG 65 14.502 28.176 -19.112 421 HH11 ARG 65 HH11 ARG 65 12.323 30.470 -19.368 422 HH12 ARG 65 HH12 ARG 65 12.954 31.284 -20.760 423 HH21 ARG 65 HH21 ARG 65 15.117 28.713 -21.614 424 HH22 ARG 65 HH22 ARG 65 14.535 30.289 -22.032 425 H PHE 66 H PHE 66 14.769 28.212 -14.794 426 HA PHE 66 HA PHE 66 16.672 27.484 -13.611 427 HB2 PHE 66 HB2 PHE 66 14.301 26.317 -12.192 428 HB3 PHE 66 HB3 PHE 66 15.919 25.850 -11.669 429 HD1 PHE 66 HD1 PHE 66 17.620 27.786 -11.259 430 HD2 PHE 66 HD2 PHE 66 13.363 28.328 -11.435 431 HE1 PHE 66 HE1 PHE 66 17.841 29.931 -10.033 432 HE2 PHE 66 HE2 PHE 66 13.584 30.472 -10.210 433 HZ PHE 66 HZ PHE 66 15.824 31.274 -9.509 434 H ALA 67 H ALA 67 15.751 25.852 -15.981 435 HA ALA 67 HA ALA 67 16.564 23.117 -15.207 436 HB1 ALA 67 HB1 ALA 67 16.252 22.836 -17.808 437 HB2 ALA 67 HB2 ALA 67 15.422 24.387 -17.676 438 HB3 ALA 67 HB3 ALA 67 14.836 22.993 -16.768 439 H VAL 68 H VAL 68 18.475 25.419 -15.125 440 HA VAL 68 HA VAL 68 20.645 24.086 -16.597 441 HB VAL 68 HB VAL 68 19.813 25.597 -18.318 442 HG11 VAL 68 HG11 VAL 68 18.587 27.152 -16.872 443 HG12 VAL 68 HG12 VAL 68 19.727 28.045 -17.878 444 HG13 VAL 68 HG13 VAL 68 20.102 27.734 -16.183 445 HG21 VAL 68 HG21 VAL 68 22.365 25.407 -17.625 446 HG22 VAL 68 HG22 VAL 68 22.150 27.107 -17.205 447 HG23 VAL 68 HG23 VAL 68 21.855 26.562 -18.857 448 H ALA 69 H ALA 69 22.752 24.810 -15.853 449 HA ALA 69 HA ALA 69 22.929 26.845 -13.767 450 HB1 ALA 69 HB1 ALA 69 22.022 25.024 -12.422 451 HB2 ALA 69 HB2 ALA 69 23.721 25.249 -12.011 452 HB3 ALA 69 HB3 ALA 69 23.236 23.912 -13.054 453 H LEU 70 H LEU 70 25.115 27.400 -13.346 454 HA LEU 70 HA LEU 70 27.049 26.179 -15.253 455 HB2 LEU 70 HB2 LEU 70 26.677 28.663 -15.308 456 HB3 LEU 70 HB3 LEU 70 27.312 28.750 -13.665 457 HG LEU 70 HG LEU 70 29.413 27.636 -14.501 458 HD11 LEU 70 HD11 LEU 70 28.384 26.609 -16.516 459 HD12 LEU 70 HD12 LEU 70 29.793 27.586 -16.926 460 HD13 LEU 70 HD13 LEU 70 28.170 28.216 -17.208 461 HD21 LEU 70 HD21 LEU 70 30.181 29.747 -14.619 462 HD22 LEU 70 HD22 LEU 70 28.526 30.324 -14.815 463 HD23 LEU 70 HD23 LEU 70 29.494 29.922 -16.233 464 H ASP 71 H ASP 71 28.634 24.879 -14.460 465 HA ASP 71 HA ASP 71 28.833 24.444 -11.576 466 HB2 ASP 71 HB3 ASP 71 29.114 22.720 -13.545 467 HB3 ASP 71 HB2 ASP 71 30.779 23.304 -13.559 468 H SER 72 H SER 72 30.378 25.277 -10.231 469 HA SER 72 HA SER 72 31.895 27.548 -10.887 470 HB2 SER 72 HB2 SER 72 31.412 26.719 -8.563 471 HB3 SER 72 HB3 SER 72 32.645 25.481 -8.799 472 HG SER 72 HG SER 72 34.186 27.038 -8.968 473 H GLU 73 H GLU 73 32.532 24.233 -11.625 474 HA GLU 73 HA GLU 73 35.411 24.660 -12.055 475 HB2 GLU 73 HB2 GLU 73 33.651 22.304 -12.801 476 HB3 GLU 73 HB3 GLU 73 35.414 22.329 -12.819 477 HG2 GLU 73 HG2 GLU 73 35.435 22.766 -10.389 478 HG3 GLU 73 HG3 GLU 73 33.671 22.747 -10.370 479 H GLN 74 H GLN 74 33.166 26.109 -13.612 480 HA GLN 74 HA GLN 74 32.975 26.939 -15.794 481 HB2 GLN 74 HB2 GLN 74 35.457 25.304 -16.385 482 HB3 GLN 74 HB3 GLN 74 34.851 26.686 -17.297 483 HG2 GLN 74 HG2 GLN 74 35.184 28.120 -15.290 484 HG3 GLN 74 HG3 GLN 74 35.864 26.734 -14.437 485 HE21 GLN 74 HE21 GLN 74 37.318 29.215 -15.089 486 HE22 GLN 74 HE22 GLN 74 38.578 28.794 -16.146 487 H ASN 75 H ASN 75 31.456 24.702 -15.086 488 HA ASN 75 HA ASN 75 31.428 23.198 -17.675 489 HB2 ASN 75 HB2 ASN 75 30.681 22.071 -14.960 490 HB3 ASN 75 HB3 ASN 75 30.732 21.193 -16.487 491 HD21 ASN 75 HD21 ASN 75 32.323 20.212 -14.424 492 HD22 ASN 75 HD22 ASN 75 33.957 20.514 -14.768 493 H ASN 76 H ASN 76 29.386 22.932 -18.598 494 HA ASN 76 HA ASN 76 27.232 24.569 -17.392 495 HB2 ASN 76 HB2 ASN 76 27.383 23.187 -20.090 496 HB3 ASN 76 HB3 ASN 76 26.118 24.302 -19.573 497 HD21 ASN 76 HD21 ASN 76 27.851 24.805 -21.850 498 HD22 ASN 76 HD22 ASN 76 28.744 26.203 -21.491 499 H ILE 77 H ILE 77 25.397 23.678 -16.520 500 HA ILE 77 HA ILE 77 25.167 20.698 -16.637 501 HB ILE 77 HB ILE 77 24.153 22.619 -14.519 502 HG12 ILE 77 HG12 ILE 77 26.400 20.586 -14.392 503 HG13 ILE 77 HG13 ILE 77 26.643 22.320 -14.603 504 HG21 ILE 77 HG21 ILE 77 24.005 19.623 -14.869 505 HG22 ILE 77 HG22 ILE 77 22.691 20.750 -14.534 506 HG23 ILE 77 HG23 ILE 77 23.872 20.374 -13.280 507 HD11 ILE 77 HD11 ILE 77 26.398 20.958 -12.166 508 HD12 ILE 77 HD12 ILE 77 24.847 21.769 -12.382 509 HD13 ILE 77 HD13 ILE 77 26.341 22.705 -12.400 510 H HIS 78 H HIS 78 23.283 19.858 -17.469 511 HA HIS 78 HA HIS 78 21.076 21.800 -18.029 512 HB2 HIS 78 HB2 HIS 78 21.899 19.410 -19.705 513 HB3 HIS 78 HB3 HIS 78 20.605 20.549 -20.080 514 HD1 HIS 78 HD1 HIS 78 21.461 23.155 -20.297 515 HD2 HIS 78 HD2 HIS 78 24.360 20.187 -20.706 516 HE1 HIS 78 HE1 HIS 78 23.449 24.247 -21.423 517 H VAL 79 H VAL 79 18.946 21.006 -17.756 518 HA VAL 79 HA VAL 79 18.534 19.116 -15.674 519 HB VAL 79 HB VAL 79 16.831 20.756 -16.128 520 HG11 VAL 79 HG21 VAL 79 17.223 21.151 -18.480 521 HG12 VAL 79 HG22 VAL 79 15.545 20.643 -18.295 522 HG13 VAL 79 HG23 VAL 79 16.752 19.500 -18.885 523 HG21 VAL 79 HG11 VAL 79 15.944 18.662 -15.281 524 HG22 VAL 79 HG12 VAL 79 15.928 17.968 -16.901 525 HG23 VAL 79 HG13 VAL 79 14.827 19.284 -16.495 526 H LYS 80 H LYS 80 18.865 18.707 -19.125 527 HA LYS 80 HA LYS 80 18.182 15.811 -18.802 528 HB2 LYS 80 HB2 LYS 80 18.015 17.652 -21.198 529 HB3 LYS 80 HB3 LYS 80 17.930 15.896 -21.343 530 HG2 LYS 80 HG2 LYS 80 16.041 15.952 -19.651 531 HG3 LYS 80 HG3 LYS 80 16.048 17.709 -19.811 532 HD2 LYS 80 HD2 LYS 80 15.792 17.345 -22.326 533 HD3 LYS 80 HD3 LYS 80 15.460 15.654 -21.953 534 HE2 LYS 80 HE2 LYS 80 13.582 16.334 -20.510 535 HE3 LYS 80 HE3 LYS 80 13.921 18.030 -20.860 536 HZ1 LYS 80 HZ1 LYS 80 12.530 17.771 -22.561 537 HZ2 LYS 80 HZ2 LYS 80 12.549 16.076 -22.448 538 HZ3 LYS 80 HZ3 LYS 80 13.764 16.886 -23.317 539 H ASP 81 H ASP 81 20.291 15.145 -18.168 540 HA ASP 81 HA ASP 81 22.140 14.700 -20.345 541 HB2 ASP 81 HB2 ASP 81 22.438 17.202 -19.480 542 HB3 ASP 81 HB3 ASP 81 23.387 16.403 -18.226 543 H ILE 82 H ILE 82 24.465 14.172 -19.026 544 HA ILE 82 HA ILE 82 23.618 12.266 -16.879 545 HB ILE 82 HB ILE 82 25.903 11.955 -18.852 546 HG12 ILE 82 HG12 ILE 82 23.236 10.515 -18.726 547 HG13 ILE 82 HG13 ILE 82 23.639 11.775 -19.891 548 HG21 ILE 82 HG21 ILE 82 24.714 10.058 -16.804 549 HG22 ILE 82 HG22 ILE 82 26.281 10.857 -16.676 550 HG23 ILE 82 HG23 ILE 82 26.002 9.660 -17.940 551 HD11 ILE 82 HD11 ILE 82 25.570 9.525 -19.658 552 HD12 ILE 82 HD12 ILE 82 25.038 10.408 -21.089 553 HD13 ILE 82 HD13 ILE 82 24.014 9.150 -20.398 554 H VAL 83 H VAL 83 24.795 12.325 -14.977 555 HA VAL 83 HA VAL 83 27.303 13.927 -14.926 556 HB VAL 83 HB VAL 83 25.317 15.369 -14.276 557 HG11 VAL 83 HG11 VAL 83 24.394 14.939 -11.995 558 HG12 VAL 83 HG12 VAL 83 25.274 13.411 -11.959 559 HG13 VAL 83 HG13 VAL 83 23.990 13.661 -13.141 560 HG21 VAL 83 HG21 VAL 83 27.725 15.672 -13.482 561 HG22 VAL 83 HG22 VAL 83 27.235 14.873 -11.988 562 HG23 VAL 83 HG23 VAL 83 26.486 16.399 -12.460 563 H LYS 84 H LYS 84 28.617 13.454 -13.001 564 HA LYS 84 HA LYS 84 28.080 10.705 -11.996 565 HB2 LYS 84 HB2 LYS 84 30.297 11.289 -13.099 566 HB3 LYS 84 HB3 LYS 84 30.631 12.306 -11.698 567 HG2 LYS 84 HG2 LYS 84 30.347 10.346 -10.215 568 HG3 LYS 84 HG3 LYS 84 30.030 9.332 -11.622 569 HD2 LYS 84 HD2 LYS 84 32.287 9.967 -12.516 570 HD3 LYS 84 HD3 LYS 84 32.597 10.825 -11.006 571 HE2 LYS 84 HE2 LYS 84 33.401 8.848 -10.241 572 HE3 LYS 84 HE3 LYS 84 31.712 8.350 -10.136 573 HZ1 LYS 84 HZ1 LYS 84 32.704 8.111 -12.791 574 HZ2 LYS 84 HZ2 LYS 84 31.989 6.931 -11.798 575 HZ3 LYS 84 HZ3 LYS 84 33.660 7.224 -11.707 576 H VAL 85 H VAL 85 27.925 10.291 -9.773 577 HA VAL 85 HA VAL 85 27.787 12.727 -8.043 578 HB VAL 85 HB VAL 85 26.394 10.092 -7.525 579 HG11 VAL 85 HG21 VAL 85 25.558 11.122 -5.687 580 HG12 VAL 85 HG22 VAL 85 25.236 12.614 -6.572 581 HG13 VAL 85 HG23 VAL 85 26.846 12.303 -5.922 582 HG21 VAL 85 HG11 VAL 85 24.596 12.164 -8.354 583 HG22 VAL 85 HG12 VAL 85 24.869 10.592 -9.103 584 HG23 VAL 85 HG13 VAL 85 25.842 11.981 -9.588 585 H ILE 86 H ILE 86 29.330 12.833 -6.502 586 HA ILE 86 HA ILE 86 30.603 10.275 -5.611 587 HB ILE 86 HB ILE 86 31.913 13.004 -5.780 588 HG12 ILE 86 HG12 ILE 86 31.502 12.262 -8.032 589 HG13 ILE 86 HG13 ILE 86 33.193 11.909 -7.677 590 HG21 ILE 86 HG21 ILE 86 33.966 11.774 -5.333 591 HG22 ILE 86 HG22 ILE 86 33.092 10.243 -5.356 592 HG23 ILE 86 HG23 ILE 86 32.796 11.408 -4.066 593 HD11 ILE 86 HD11 ILE 86 32.699 9.806 -8.379 594 HD12 ILE 86 HD12 ILE 86 30.963 10.062 -8.206 595 HD13 ILE 86 HD13 ILE 86 31.934 9.623 -6.800 596 H ASP 87 H ASP 87 28.997 13.190 -4.698 597 HA ASP 87 HA ASP 87 29.744 12.742 -1.841 598 HB2 ASP 87 HB2 ASP 87 30.081 15.039 -2.880 599 HB3 ASP 87 HB3 ASP 87 28.326 15.152 -3.003 600 H GLY 88 H GLY 88 28.144 12.229 -0.356 601 HA2 GLY 88 HA2 GLY 88 25.727 12.364 0.272 602 HA3 GLY 88 HA3 GLY 88 25.352 12.036 -1.419 603 HA PRO 89 HA PRO 89 25.618 8.029 1.178 604 HB2 PRO 89 HB2 PRO 89 22.999 7.367 1.059 605 HB3 PRO 89 HB3 PRO 89 23.684 8.346 2.358 606 HG2 PRO 89 HG2 PRO 89 22.183 9.213 -0.084 607 HG3 PRO 89 HG3 PRO 89 22.021 9.785 1.580 608 HD2 PRO 89 HD2 PRO 89 23.403 11.171 -0.284 609 HD3 PRO 89 HD3 PRO 89 23.865 11.172 1.418 610 H HIS 90 H HIS 90 23.514 8.775 -1.614 611 HA HIS 90 HA HIS 90 23.983 6.089 -2.733 612 HB2 HIS 90 HB2 HIS 90 22.454 8.481 -3.805 613 HB3 HIS 90 HB3 HIS 90 22.508 6.894 -4.573 614 HD1 HIS 90 HD1 HIS 90 21.069 8.718 -1.634 615 HD2 HIS 90 HD2 HIS 90 21.034 4.858 -3.207 616 HE1 HIS 90 HE1 HIS 90 19.259 7.455 -0.390 617 H SER 91 H SER 91 25.421 9.179 -2.842 618 HA SER 91 HA SER 91 26.395 9.417 -5.458 619 HB2 SER 91 HB2 SER 91 27.688 11.064 -4.581 620 HB3 SER 91 HB3 SER 91 26.844 10.715 -3.073 621 HG SER 91 HG SER 91 28.588 9.859 -2.299 622 H GLY 92 H GLY 92 29.070 9.172 -5.648 623 HA2 GLY 92 HA2 GLY 92 30.907 7.638 -5.574 624 HA3 GLY 92 HA3 GLY 92 29.868 6.471 -4.756 625 H ARG 93 H ARG 93 28.092 7.694 -7.269 626 HA ARG 93 HA ARG 93 29.194 5.838 -9.309 627 HB2 ARG 93 HB2 ARG 93 26.328 5.743 -8.315 628 HB3 ARG 93 HB3 ARG 93 26.979 4.806 -9.659 629 HG2 ARG 93 HG2 ARG 93 28.630 3.781 -8.081 630 HG3 ARG 93 HG3 ARG 93 27.842 4.638 -6.756 631 HD2 ARG 93 HD2 ARG 93 25.686 3.516 -7.406 632 HD3 ARG 93 HD3 ARG 93 26.595 2.560 -8.577 633 HE ARG 93 HE ARG 93 26.350 1.764 -5.959 634 HH11 ARG 93 HH11 ARG 93 28.704 3.266 -5.132 635 HH12 ARG 93 HH12 ARG 93 30.020 2.206 -5.509 636 HH21 ARG 93 HH21 ARG 93 28.156 0.220 -7.654 637 HH22 ARG 93 HH22 ARG 93 29.710 0.482 -6.936 638 H GLU 94 H GLU 94 27.859 6.112 -11.411 639 HA GLU 94 HA GLU 94 27.345 9.022 -11.756 640 HB2 GLU 94 HB2 GLU 94 29.017 7.924 -13.248 641 HB3 GLU 94 HB3 GLU 94 27.741 6.869 -13.856 642 HG2 GLU 94 HG2 GLU 94 26.463 8.923 -14.542 643 HG3 GLU 94 HG3 GLU 94 27.865 9.890 -14.083 644 H GLY 95 H GLY 95 25.370 9.760 -12.616 645 HA2 GLY 95 HA2 GLY 95 23.277 7.699 -13.125 646 HA3 GLY 95 HA3 GLY 95 22.948 9.004 -11.984 647 H GLU 96 H GLU 96 21.157 9.292 -13.720 648 HA GLU 96 HA GLU 96 22.196 10.934 -15.991 649 HB2 GLU 96 HB2 GLU 96 20.794 8.930 -16.567 650 HB3 GLU 96 HB3 GLU 96 19.456 9.672 -15.690 651 HG2 GLU 96 HG2 GLU 96 19.614 11.655 -17.187 652 HG3 GLU 96 HG3 GLU 96 20.890 10.843 -18.093 653 H ILE 97 H ILE 97 21.611 13.075 -16.096 654 HA ILE 97 HA ILE 97 20.334 14.267 -13.764 655 HB ILE 97 HB ILE 97 21.355 15.394 -16.381 656 HG12 ILE 97 HG13 ILE 97 22.282 15.836 -13.532 657 HG13 ILE 97 HG12 ILE 97 22.961 14.599 -14.590 658 HG21 ILE 97 HG21 ILE 97 19.963 17.144 -16.018 659 HG22 ILE 97 HG22 ILE 97 21.000 17.525 -14.642 660 HG23 ILE 97 HG23 ILE 97 19.536 16.569 -14.406 661 HD11 ILE 97 HD11 ILE 97 23.736 17.297 -14.448 662 HD12 ILE 97 HD12 ILE 97 22.825 17.159 -15.952 663 HD13 ILE 97 HD13 ILE 97 24.224 16.123 -15.669 664 H ARG 98 H ARG 98 18.150 14.020 -13.569 665 HA ARG 98 HA ARG 98 16.464 14.176 -16.015 666 HB2 ARG 98 HB3 ARG 98 16.242 12.312 -14.224 667 HB3 ARG 98 HB2 ARG 98 15.474 13.553 -13.233 668 HG2 ARG 98 HG3 ARG 98 13.778 13.931 -14.935 669 HG3 ARG 98 HG2 ARG 98 14.592 12.828 -16.043 670 HD2 ARG 98 HD2 ARG 98 14.285 11.029 -14.247 671 HD3 ARG 98 HD3 ARG 98 13.187 12.156 -13.449 672 HE ARG 98 HE ARG 98 12.310 10.498 -15.447 673 HH11 ARG 98 HH11 ARG 98 12.796 12.075 -17.697 674 HH12 ARG 98 HH12 ARG 98 11.554 13.283 -17.718 675 HH21 ARG 98 HH21 ARG 98 10.703 12.843 -14.385 676 HH22 ARG 98 HH22 ARG 98 10.369 13.717 -15.843 677 H HIS 99 H HIS 99 16.244 15.374 -12.639 678 HA HIS 99 HA HIS 99 15.063 17.885 -13.760 679 HB2 HIS 99 HB2 HIS 99 14.755 17.065 -10.884 680 HB3 HIS 99 HB3 HIS 99 13.709 18.092 -11.861 681 HD1 HIS 99 HD1 HIS 99 12.154 16.878 -13.621 682 HD2 HIS 99 HD2 HIS 99 14.170 14.317 -11.020 683 HE1 HIS 99 HE1 HIS 99 11.013 14.623 -13.807 684 H LEU 100 H LEU 100 15.876 19.874 -12.938 685 HA LEU 100 HA LEU 100 18.353 19.614 -11.280 686 HB2 LEU 100 HB2 LEU 100 18.859 20.147 -13.660 687 HB3 LEU 100 HB3 LEU 100 17.860 21.595 -13.524 688 HG LEU 100 HG LEU 100 19.354 22.248 -11.543 689 HD11 LEU 100 HD11 LEU 100 21.717 20.982 -12.351 690 HD12 LEU 100 HD12 LEU 100 20.513 19.693 -12.319 691 HD13 LEU 100 HD13 LEU 100 20.810 20.658 -10.874 692 HD21 LEU 100 HD21 LEU 100 20.507 23.560 -12.999 693 HD22 LEU 100 HD22 LEU 100 19.533 22.766 -14.236 694 HD23 LEU 100 HD23 LEU 100 21.154 22.175 -13.877 695 H PHE 101 H PHE 101 18.318 20.828 -9.449 696 HA PHE 101 HA PHE 101 16.195 22.920 -9.225 697 HB2 PHE 101 HB2 PHE 101 16.102 20.975 -7.622 698 HB3 PHE 101 HB3 PHE 101 17.656 21.502 -6.978 699 HD1 PHE 101 HD1 PHE 101 17.770 23.214 -5.354 700 HD2 PHE 101 HD2 PHE 101 14.164 22.665 -7.623 701 HE1 PHE 101 HE1 PHE 101 16.611 24.867 -3.913 702 HE2 PHE 101 HE2 PHE 101 13.005 24.318 -6.183 703 HZ PHE 101 HZ PHE 101 14.229 25.419 -4.327 704 H ARG 102 H ARG 102 16.866 24.759 -7.690 705 HA ARG 102 HA ARG 102 18.908 26.307 -8.679 706 HB2 ARG 102 HB2 ARG 102 17.365 27.157 -6.992 707 HB3 ARG 102 HB3 ARG 102 18.065 26.093 -5.773 708 HG2 ARG 102 HG2 ARG 102 20.204 27.249 -5.930 709 HG3 ARG 102 HG3 ARG 102 19.607 28.240 -7.262 710 HD2 ARG 102 HD2 ARG 102 17.811 29.095 -5.700 711 HD3 ARG 102 HD3 ARG 102 18.641 28.256 -4.389 712 HE ARG 102 HE ARG 102 19.464 30.762 -5.567 713 HH11 ARG 102 HH11 ARG 102 20.055 29.489 -2.795 714 HH12 ARG 102 HH12 ARG 102 21.783 29.385 -2.872 715 HH21 ARG 102 HH21 ARG 102 21.928 29.901 -6.298 716 HH22 ARG 102 HH22 ARG 102 22.844 29.619 -4.854 717 H SER 103 H SER 103 19.616 25.108 -5.431 718 HA SER 103 HA SER 103 22.379 24.522 -6.360 719 HB2 SER 103 HB2 SER 103 22.874 24.418 -3.894 720 HB3 SER 103 HB3 SER 103 22.256 25.980 -4.431 721 HG SER 103 HG SER 103 20.226 25.400 -3.676 722 H PHE 104 H PHE 104 20.115 22.710 -6.923 723 HA PHE 104 HA PHE 104 21.343 20.264 -5.828 724 HB2 PHE 104 HB3 PHE 104 18.425 20.954 -5.362 725 HB3 PHE 104 HB2 PHE 104 19.146 19.376 -5.052 726 HD1 PHE 104 HD1 PHE 104 20.473 18.973 -3.101 727 HD2 PHE 104 HD2 PHE 104 19.219 22.963 -4.078 728 HE1 PHE 104 HE1 PHE 104 21.237 19.759 -0.876 729 HE2 PHE 104 HE2 PHE 104 19.980 23.747 -1.852 730 HZ PHE 104 HZ PHE 104 20.991 22.146 -0.252 731 H ALA 105 H ALA 105 20.342 18.300 -6.913 732 HA ALA 105 HA ALA 105 18.833 18.857 -9.378 733 HB1 ALA 105 HB1 ALA 105 20.478 18.244 -10.920 734 HB2 ALA 105 HB2 ALA 105 21.441 17.402 -9.707 735 HB3 ALA 105 HB3 ALA 105 21.416 19.165 -9.745 736 H PHE 106 H PHE 106 17.509 17.150 -9.791 737 HA PHE 106 HA PHE 106 17.808 14.727 -8.134 738 HB2 PHE 106 HB3 PHE 106 15.657 15.674 -10.045 739 HB3 PHE 106 HB2 PHE 106 15.600 14.114 -9.225 740 HD1 PHE 106 HD1 PHE 106 15.478 14.004 -6.741 741 HD2 PHE 106 HD2 PHE 106 15.233 17.730 -8.864 742 HE1 PHE 106 HE1 PHE 106 14.569 15.100 -4.711 743 HE2 PHE 106 HE2 PHE 106 14.323 18.827 -6.833 744 HZ PHE 106 HZ PHE 106 13.992 17.512 -4.757 745 H LEU 107 H LEU 107 18.652 12.848 -8.912 746 HA LEU 107 HA LEU 107 19.237 12.727 -11.838 747 HB2 LEU 107 HB3 LEU 107 20.510 11.288 -9.495 748 HB3 LEU 107 HB2 LEU 107 20.949 11.029 -11.182 749 HG LEU 107 HG LEU 107 22.524 12.618 -10.327 750 HD11 LEU 107 HD21 LEU 107 21.165 13.132 -12.525 751 HD12 LEU 107 HD22 LEU 107 22.246 14.356 -11.860 752 HD13 LEU 107 HD23 LEU 107 20.509 14.464 -11.573 753 HD21 LEU 107 HD11 LEU 107 22.052 14.251 -8.788 754 HD22 LEU 107 HD12 LEU 107 20.676 13.202 -8.445 755 HD23 LEU 107 HD13 LEU 107 20.474 14.604 -9.495 756 H HIS 108 H HIS 108 18.842 10.711 -12.946 757 HA HIS 108 HA HIS 108 16.869 8.959 -11.538 758 HB2 HIS 108 HB2 HIS 108 15.784 10.281 -13.300 759 HB3 HIS 108 HB3 HIS 108 16.974 9.715 -14.474 760 HD1 HIS 108 HD1 HIS 108 15.961 7.948 -15.897 761 HD2 HIS 108 HD2 HIS 108 14.647 7.656 -11.951 762 HE1 HIS 108 HE1 HIS 108 14.435 5.929 -15.797 763 H CYS 109 H CYS 109 17.261 6.758 -11.636 764 HA CYS 109 HA CYS 109 19.593 5.899 -13.305 765 HB2 CYS 109 HB2 CYS 109 19.089 5.625 -10.453 766 HB3 CYS 109 HB3 CYS 109 19.327 4.054 -11.216 767 HG CYS 109 HG CYS 109 21.433 6.356 -11.212 768 H LYS 110 H LYS 110 19.233 4.156 -14.626 769 HA LYS 110 HA LYS 110 16.569 3.231 -15.101 770 HB2 LYS 110 HB2 LYS 110 18.492 3.182 -16.749 771 HB3 LYS 110 HB3 LYS 110 19.127 1.797 -15.860 772 HG2 LYS 110 HG2 LYS 110 17.053 0.552 -16.277 773 HG3 LYS 110 HG3 LYS 110 16.369 1.945 -17.116 774 HD2 LYS 110 HD2 LYS 110 18.250 1.822 -18.759 775 HD3 LYS 110 HD3 LYS 110 18.814 0.356 -17.955 776 HE2 LYS 110 HE2 LYS 110 16.169 0.771 -19.375 777 HE3 LYS 110 HE3 LYS 110 17.467 -0.330 -19.836 778 HZ1 LYS 110 HZ1 LYS 110 16.927 -1.029 -17.273 779 HZ2 LYS 110 HZ2 LYS 110 16.357 -1.835 -18.656 780 HZ3 LYS 110 HZ3 LYS 110 15.387 -0.670 -17.888 781 H LYS 111 H LYS 111 19.348 1.617 -13.529 782 HA LYS 111 HA LYS 111 18.253 -0.836 -12.876 783 HB2 LYS 111 HB2 LYS 111 19.833 0.928 -10.977 784 HB3 LYS 111 HB3 LYS 111 19.653 -0.822 -10.855 785 HG2 LYS 111 HG2 LYS 111 20.798 -1.131 -12.986 786 HG3 LYS 111 HG3 LYS 111 20.880 0.613 -13.229 787 HD2 LYS 111 HD2 LYS 111 23.026 -0.222 -12.377 788 HD3 LYS 111 HD3 LYS 111 22.260 0.818 -11.176 789 HE2 LYS 111 HE2 LYS 111 21.383 -1.172 -10.009 790 HE3 LYS 111 HE3 LYS 111 22.141 -2.215 -11.212 791 HZ1 LYS 111 HZ1 LYS 111 23.304 -1.463 -8.923 792 HZ2 LYS 111 HZ2 LYS 111 23.905 -0.279 -9.983 793 HZ3 LYS 111 HZ3 LYS 111 24.158 -1.926 -10.314 794 H LEU 112 H LEU 112 17.555 2.277 -11.337 795 HA LEU 112 HA LEU 112 15.985 2.826 -9.663 796 HB2 LEU 112 HB2 LEU 112 14.525 2.563 -11.600 797 HB3 LEU 112 HB3 LEU 112 14.447 0.821 -11.340 798 HG LEU 112 HG LEU 112 13.714 2.526 -9.019 799 HD11 LEU 112 HD11 LEU 112 11.886 2.191 -11.415 800 HD12 LEU 112 HD12 LEU 112 12.651 3.704 -10.932 801 HD13 LEU 112 HD13 LEU 112 11.459 2.942 -9.879 802 HD21 LEU 112 HD21 LEU 112 13.116 -0.134 -10.172 803 HD22 LEU 112 HD22 LEU 112 11.762 0.658 -9.366 804 HD23 LEU 112 HD23 LEU 112 13.258 0.356 -8.483 805 H VAL 113 H VAL 113 16.980 1.933 -7.794 806 HA VAL 113 HA VAL 113 15.762 -0.644 -6.902 807 HB VAL 113 HB VAL 113 18.212 -0.826 -7.623 808 HG11 VAL 113 HG11 VAL 113 18.889 1.375 -6.664 809 HG12 VAL 113 HG12 VAL 113 19.878 0.045 -6.062 810 HG13 VAL 113 HG13 VAL 113 18.607 0.728 -5.048 811 HG21 VAL 113 HG21 VAL 113 16.901 -2.292 -5.918 812 HG22 VAL 113 HG22 VAL 113 17.842 -1.439 -4.694 813 HG23 VAL 113 HG23 VAL 113 18.662 -2.399 -5.926 814 H GLU 114 H GLU 114 16.101 2.617 -6.333 815 HA GLU 114 HA GLU 114 15.987 2.319 -3.372 816 HB2 GLU 114 HB2 GLU 114 17.580 3.979 -4.425 817 HB3 GLU 114 HB3 GLU 114 16.168 4.873 -4.989 818 HG2 GLU 114 HG3 GLU 114 15.380 5.018 -2.613 819 HG3 GLU 114 HG2 GLU 114 16.889 4.259 -2.108 820 H ASN 115 H ASN 115 14.319 4.162 -5.946 821 HA ASN 115 HA ASN 115 11.688 3.401 -5.240 822 HB2 ASN 115 HB2 ASN 115 12.890 5.377 -3.462 823 HB3 ASN 115 HB3 ASN 115 11.446 6.009 -4.254 824 HD21 ASN 115 HD21 ASN 115 12.062 4.850 -1.392 825 HD22 ASN 115 HD22 ASN 115 10.702 3.873 -1.127 826 H GLY 116 H GLY 116 11.889 3.524 -7.609 827 HA2 GLY 116 HA2 GLY 116 10.977 4.698 -9.501 828 HA3 GLY 116 HA3 GLY 116 11.128 6.207 -8.599 829 H GLY 117 H GLY 117 13.938 4.483 -8.145 830 HA2 GLY 117 HA2 GLY 117 16.114 4.752 -8.965 831 HA3 GLY 117 HA3 GLY 117 15.378 4.861 -10.566 832 H MET 118 H MET 118 14.864 7.016 -7.778 833 HA MET 118 HA MET 118 16.137 9.197 -9.384 834 HB2 MET 118 HB2 MET 118 13.650 9.479 -7.676 835 HB3 MET 118 HB3 MET 118 14.378 10.719 -8.698 836 HG2 MET 118 HG3 MET 118 13.980 9.244 -10.682 837 HG3 MET 118 HG2 MET 118 13.135 8.113 -9.626 838 HE1 MET 118 HE1 MET 118 13.642 11.456 -10.877 839 HE2 MET 118 HE2 MET 118 12.747 12.341 -9.645 840 HE3 MET 118 HE3 MET 118 12.050 12.131 -11.249 841 H PHE 119 H PHE 119 17.795 10.080 -8.277 842 HA PHE 119 HA PHE 119 17.556 10.319 -5.314 843 HB2 PHE 119 HB2 PHE 119 19.933 9.715 -5.073 844 HB3 PHE 119 HB3 PHE 119 19.030 8.395 -5.816 845 HD1 PHE 119 HD1 PHE 119 21.572 10.986 -6.325 846 HD2 PHE 119 HD2 PHE 119 19.251 7.914 -8.227 847 HE1 PHE 119 HE1 PHE 119 23.096 11.046 -8.279 848 HE2 PHE 119 HE2 PHE 119 20.774 7.975 -10.184 849 HZ PHE 119 HZ PHE 119 22.698 9.541 -10.209 850 H VAL 120 H VAL 120 18.307 12.290 -4.525 851 HA VAL 120 HA VAL 120 19.168 14.234 -6.614 852 HB VAL 120 HB VAL 120 17.185 14.960 -5.497 853 HG11 VAL 120 HG11 VAL 120 17.762 15.252 -2.808 854 HG12 VAL 120 HG12 VAL 120 18.497 13.698 -3.198 855 HG13 VAL 120 HG13 VAL 120 16.780 13.964 -3.504 856 HG21 VAL 120 HG21 VAL 120 17.932 17.011 -4.369 857 HG22 VAL 120 HG22 VAL 120 18.927 16.701 -5.793 858 HG23 VAL 120 HG23 VAL 120 19.551 16.333 -4.185 859 H CYS 121 H CYS 121 20.791 15.858 -5.973 860 HA CYS 121 HA CYS 121 22.492 15.307 -3.657 861 HB2 CYS 121 HB3 CYS 121 23.245 14.457 -6.422 862 HB3 CYS 121 HB2 CYS 121 24.503 15.166 -5.411 863 HG CYS 121 HG CYS 121 24.655 12.922 -4.372 864 H LYS 122 H LYS 122 24.528 16.856 -3.873 865 HA LYS 122 HA LYS 122 23.440 19.478 -4.701 866 HB2 LYS 122 HB2 LYS 122 24.616 18.984 -2.444 867 HB3 LYS 122 HB3 LYS 122 26.112 19.019 -3.378 868 HG2 LYS 122 HG2 LYS 122 25.486 21.283 -4.221 869 HG3 LYS 122 HG3 LYS 122 24.062 21.247 -3.182 870 HD2 LYS 122 HD2 LYS 122 25.560 20.947 -1.208 871 HD3 LYS 122 HD3 LYS 122 26.954 21.108 -2.276 872 HE2 LYS 122 HE2 LYS 122 25.966 23.348 -3.005 873 HE3 LYS 122 HE3 LYS 122 24.845 23.187 -1.654 874 HZ1 LYS 122 HZ1 LYS 122 27.610 23.908 -1.642 875 HZ2 LYS 122 HZ2 LYS 122 27.282 22.629 -0.572 876 HZ3 LYS 122 HZ3 LYS 122 26.440 24.098 -0.429 877 H THR 123 H THR 123 23.880 20.149 -6.733 878 HA THR 123 HA THR 123 25.538 18.999 -8.622 879 HB THR 123 HB THR 123 25.578 21.159 -9.773 880 HG1 THR 123 HG1 THR 123 24.984 23.011 -8.691 881 HG21 THR 123 HG21 THR 123 23.449 20.505 -10.189 882 HG22 THR 123 HG22 THR 123 22.994 21.738 -9.012 883 HG23 THR 123 HG23 THR 123 23.167 20.058 -8.506 884 H ARG 124 H ARG 124 26.488 21.018 -5.925 885 HA ARG 124 HA ARG 124 29.042 21.868 -6.712 886 HB2 ARG 124 HB2 ARG 124 27.921 22.395 -4.521 887 HB3 ARG 124 HB3 ARG 124 28.345 20.774 -3.972 888 HG2 ARG 124 HG3 ARG 124 30.730 21.264 -4.325 889 HG3 ARG 124 HG2 ARG 124 30.322 22.874 -4.915 890 HD2 ARG 124 HD2 ARG 124 29.299 23.410 -2.727 891 HD3 ARG 124 HD3 ARG 124 29.731 21.805 -2.138 892 HE ARG 124 HE ARG 124 32.113 22.999 -3.076 893 HH11 ARG 124 HH11 ARG 124 30.492 25.304 -1.746 894 HH12 ARG 124 HH12 ARG 124 31.195 25.288 -0.164 895 HH21 ARG 124 HH21 ARG 124 32.686 22.184 -0.568 896 HH22 ARG 124 HH22 ARG 124 32.437 23.522 0.504 897 H HIS 125 H HIS 125 28.104 18.707 -5.342 898 HA HIS 125 HA HIS 125 30.853 17.717 -5.868 899 HB2 HIS 125 HB2 HIS 125 28.488 16.498 -4.418 900 HB3 HIS 125 HB3 HIS 125 30.018 15.659 -4.675 901 HD1 HIS 125 HD1 HIS 125 32.005 16.339 -3.218 902 HD2 HIS 125 HD2 HIS 125 28.684 18.797 -2.668 903 HE1 HIS 125 HE1 HIS 125 32.516 17.795 -1.210 904 H LEU 126 H LEU 126 28.419 18.226 -7.818 905 HA LEU 126 HA LEU 126 28.293 15.505 -9.013 906 HB2 LEU 126 HB2 LEU 126 26.775 18.052 -9.662 907 HB3 LEU 126 HB3 LEU 126 26.547 16.510 -10.486 908 HG LEU 126 HG LEU 126 26.018 17.142 -7.573 909 HD11 LEU 126 HD11 LEU 126 24.323 17.598 -9.486 910 HD12 LEU 126 HD12 LEU 126 23.760 16.685 -8.086 911 HD13 LEU 126 HD13 LEU 126 24.176 15.843 -9.577 912 HD21 LEU 126 HD21 LEU 126 26.654 14.588 -8.926 913 HD22 LEU 126 HD22 LEU 126 25.211 14.556 -7.912 914 HD23 LEU 126 HD23 LEU 126 26.767 15.015 -7.219 915 H VAL 127 H VAL 127 29.638 15.027 -10.680 916 HA VAL 127 HA VAL 127 30.888 17.311 -12.152 917 HB VAL 127 HB VAL 127 31.935 14.482 -11.818 918 HG11 VAL 127 HG11 VAL 127 33.598 15.056 -13.248 919 HG12 VAL 127 HG12 VAL 127 33.774 16.657 -12.529 920 HG13 VAL 127 HG13 VAL 127 32.534 16.371 -13.750 921 HG21 VAL 127 HG21 VAL 127 32.015 16.802 -10.074 922 HG22 VAL 127 HG22 VAL 127 33.641 16.337 -10.576 923 HG23 VAL 127 HG23 VAL 127 32.597 15.165 -9.772 924 H LEU 128 H LEU 128 30.729 17.338 -14.382 925 HA LEU 128 HA LEU 128 28.777 15.511 -15.593 926 HB2 LEU 128 HB2 LEU 128 30.382 17.831 -16.706 927 HB3 LEU 128 HB3 LEU 128 29.212 16.908 -17.648 928 HG LEU 128 HG LEU 128 27.564 17.445 -15.706 929 HD11 LEU 128 HD21 LEU 128 28.745 18.443 -14.002 930 HD12 LEU 128 HD22 LEU 128 28.346 19.896 -14.919 931 HD13 LEU 128 HD23 LEU 128 29.933 19.148 -15.099 932 HD21 LEU 128 HD11 LEU 128 26.899 19.501 -16.812 933 HD22 LEU 128 HD12 LEU 128 27.506 18.387 -18.037 934 HD23 LEU 128 HD13 LEU 128 28.519 19.717 -17.474 935 H ALA 129 H ALA 129 29.292 13.734 -16.806 936 HA ALA 129 HA ALA 129 32.169 13.127 -17.181 937 HB1 ALA 129 HB1 ALA 129 30.278 11.121 -18.148 938 HB2 ALA 129 HB2 ALA 129 29.975 11.568 -16.469 939 HB3 ALA 129 HB3 ALA 129 31.561 10.963 -16.947 940 H GLY 130 H GLY 130 33.089 12.807 -19.228 941 HA2 GLY 130 HA2 GLY 130 32.905 12.488 -21.647 942 HA3 GLY 130 HA3 GLY 130 31.324 13.269 -21.588
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