NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
555448 | 2m2b | 18905 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLN 1 H1 GLN 1 26.609 -17.936 21.447 2 HA GLN 1 HA GLN 1 24.750 -18.603 22.871 3 HB3 GLN 1 HB3 GLN 1 25.585 -19.110 25.342 4 HG3 GLN 1 HG3 GLN 1 24.177 -20.676 23.998 5 HE21 GLN 1 HE22 GLN 1 25.458 -23.503 24.044 6 HE22 GLN 1 HE21 GLN 1 26.183 -23.597 22.456 7 H ALA 2 H ALA 2 23.872 -16.987 24.394 8 HA ALA 2 HA ALA 2 25.713 -14.972 25.409 9 HB1 ALA 2 HB1 ALA 2 24.483 -13.088 24.412 10 HB2 ALA 2 HB2 ALA 2 25.278 -14.067 23.176 11 HB3 ALA 2 HB3 ALA 2 23.524 -14.208 23.411 12 H GLN 3 H GLN 3 22.170 -14.916 24.805 13 HA GLN 3 HA GLN 3 20.394 -14.908 26.187 14 HB3 GLN 3 HB3 GLN 3 21.903 -16.817 27.991 15 HG3 GLN 3 HG3 GLN 3 19.035 -16.812 26.946 16 HE21 GLN 3 HE22 GLN 3 19.391 -17.969 30.123 17 HE22 GLN 3 HE21 GLN 3 19.449 -19.678 29.711 18 H GLY 4 H GLY 4 22.280 -12.765 26.629 19 HA2 GLY 4 HA2 GLY 4 21.520 -11.824 29.282 20 HA3 GLY 4 HA3 GLY 4 23.244 -12.178 29.068 21 H VAL 5 H VAL 5 21.037 -10.994 26.510 22 HA VAL 5 HA VAL 5 22.313 -8.353 26.467 23 HB VAL 5 HB VAL 5 22.443 -8.634 23.919 24 HG11 VAL 5 HG11 VAL 5 24.732 -9.506 24.012 25 HG12 VAL 5 HG12 VAL 5 24.422 -8.431 25.381 26 HG13 VAL 5 HG13 VAL 5 24.439 -10.187 25.629 27 HG21 VAL 5 HG21 VAL 5 22.924 -10.857 23.014 28 HG22 VAL 5 HG22 VAL 5 22.625 -11.616 24.587 29 HG23 VAL 5 HG23 VAL 5 21.300 -10.850 23.690 30 H LEU 6 H LEU 6 20.630 -6.913 26.461 31 HA LEU 6 HA LEU 6 18.082 -7.612 25.197 32 HB3 LEU 6 HB3 LEU 6 16.809 -6.936 27.129 33 HG LEU 6 HG LEU 6 17.816 -9.454 26.999 34 HD11 LEU 6 HD11 LEU 6 18.809 -10.108 29.133 35 HD12 LEU 6 HD12 LEU 6 18.768 -8.428 29.710 36 HD13 LEU 6 HD13 LEU 6 19.831 -8.882 28.375 37 HD21 LEU 6 HD21 LEU 6 15.580 -8.850 27.826 38 HD22 LEU 6 HD22 LEU 6 16.276 -8.305 29.368 39 HD23 LEU 6 HD23 LEU 6 16.352 -10.020 28.906 40 H ALA 7 H ALA 7 16.799 -5.573 24.897 41 HA ALA 7 HA ALA 7 18.234 -3.047 25.407 42 HB1 ALA 7 HB1 ALA 7 17.145 -3.880 22.687 43 HB2 ALA 7 HB2 ALA 7 17.877 -2.322 23.079 44 HB3 ALA 7 HB3 ALA 7 18.883 -3.785 23.096 45 H SER 8 H SER 8 16.796 -1.170 24.909 46 HA SER 8 HA SER 8 14.036 -1.791 25.764 47 HB3 SER 8 HB3 SER 8 15.282 -0.442 27.263 48 HG SER 8 HG SER 8 15.607 1.740 25.632 49 H GLN 9 H GLN 9 12.382 -0.135 24.904 50 HA GLN 9 HA GLN 9 12.763 0.278 21.969 51 HB3 GLN 9 HB3 GLN 9 10.126 0.507 23.452 52 HG3 GLN 9 HG3 GLN 9 10.149 -0.895 20.878 53 HE21 GLN 9 HE22 GLN 9 9.494 2.412 20.296 54 HE22 GLN 9 HE21 GLN 9 7.763 2.252 20.423 55 H ALA 10 H ALA 10 11.974 2.482 21.167 56 HA ALA 10 HA ALA 10 11.169 4.388 23.210 57 HB1 ALA 10 HB1 ALA 10 12.770 6.140 22.477 58 HB2 ALA 10 HB2 ALA 10 13.573 4.759 23.229 59 HB3 ALA 10 HB3 ALA 10 13.607 4.950 21.460 60 H LEU 11 H LEU 11 10.625 6.543 22.000 61 HA LEU 11 HA LEU 11 9.424 6.025 19.338 62 HB3 LEU 11 HB3 LEU 11 7.572 7.614 20.474 63 HG LEU 11 HG LEU 11 7.752 4.779 19.970 64 HD11 LEU 11 HD11 LEU 11 6.207 3.890 21.638 65 HD12 LEU 11 HD12 LEU 11 6.192 5.452 22.492 66 HD13 LEU 11 HD13 LEU 11 7.686 4.480 22.419 67 HD21 LEU 11 HD21 LEU 11 5.325 6.574 20.377 68 HD22 LEU 11 HD22 LEU 11 5.419 5.061 19.450 69 HD23 LEU 11 HD23 LEU 11 6.291 6.481 18.883 70 H SER 12 H SER 12 8.767 8.028 18.297 71 HA SER 12 HA SER 12 9.478 10.522 19.519 72 HB3 SER 12 HB3 SER 12 10.343 11.281 17.181 73 HG SER 12 HG SER 12 12.213 9.677 18.568 74 H GLN 13 H GLN 13 8.435 12.292 18.218 75 HA GLN 13 HA GLN 13 6.377 11.609 16.323 76 HB3 GLN 13 HB3 GLN 13 4.608 12.793 17.587 77 HG3 GLN 13 HG3 GLN 13 5.626 10.630 19.454 78 HE21 GLN 13 HE22 GLN 13 2.504 9.886 18.542 79 HE22 GLN 13 HE21 GLN 13 1.666 10.859 19.725 80 H GLY 14 H GLY 14 5.231 14.039 16.057 81 HA2 GLY 14 HA2 GLY 14 5.615 16.379 16.650 82 HA3 GLY 14 HA3 GLY 14 7.344 16.155 16.376 83 H SER 15 H SER 15 4.444 17.167 14.991 84 HA SER 15 HA SER 15 5.746 17.681 12.487 85 HB3 SER 15 HB3 SER 15 4.870 15.817 11.533 86 HG SER 15 HG SER 15 3.869 14.577 12.787 87 H GLU 16 H GLU 16 4.816 19.291 11.465 88 HA GLU 16 HA GLU 16 2.818 21.051 12.784 89 HB3 GLU 16 HB3 GLU 16 5.032 22.039 12.821 90 HG3 GLU 16 HG3 GLU 16 6.149 22.698 10.641 91 HA PRO 17 HA PRO 17 0.466 20.338 9.175 92 HB3 PRO 17 HB3 PRO 17 -1.166 21.438 10.330 93 HG3 PRO 17 HG3 PRO 17 -0.801 23.614 11.328 94 HD3 PRO 17 HD3 PRO 17 0.793 22.173 12.284 95 H SER 18 H SER 18 0.252 20.618 6.875 96 HA SER 18 HA SER 18 1.297 22.940 5.546 97 HB3 SER 18 HB3 SER 18 2.763 20.535 4.595 98 HG SER 18 HG SER 18 4.482 22.217 5.143 99 H SER 19 H SER 19 0.946 22.734 3.247 100 HA SER 19 HA SER 19 -0.085 22.104 1.353 101 HB3 SER 19 HB3 SER 19 -0.183 19.267 2.436 102 HG SER 19 HG SER 19 0.503 18.931 0.210 103 H GLU 20 H GLU 20 -2.018 20.542 0.693 104 HA GLU 20 HA GLU 20 -4.437 20.998 2.415 105 HB3 GLU 20 HB3 GLU 20 -5.732 21.227 0.278 106 HG3 GLU 20 HG3 GLU 20 -3.561 23.308 0.774 107 H ASN 21 H ASN 21 -3.090 19.417 -0.427 108 HA ASN 21 HA ASN 21 -4.650 17.030 -0.274 109 HB3 ASN 21 HB3 ASN 21 -2.244 16.606 -1.792 110 HD21 ASN 21 HD22 ASN 21 -4.217 18.498 -3.761 111 HD22 ASN 21 HD21 ASN 21 -5.449 17.310 -4.121 112 H ALA 22 H ALA 22 -4.449 15.659 1.400 113 HA ALA 22 HA ALA 22 -1.939 14.220 1.581 114 HB1 ALA 22 HB1 ALA 22 -3.371 15.193 4.092 115 HB2 ALA 22 HB2 ALA 22 -1.896 14.210 4.026 116 HB3 ALA 22 HB3 ALA 22 -1.859 15.909 3.499 117 H ASN 23 H ASN 23 -2.386 12.058 2.582 118 HA ASN 23 HA ASN 23 -5.101 11.479 3.250 119 HB3 ASN 23 HB3 ASN 23 -3.874 10.018 0.876 120 HD21 ASN 23 HD22 ASN 23 -6.568 10.184 3.258 121 HD22 ASN 23 HD21 ASN 23 -7.364 8.785 2.642 122 H ASP 24 H ASP 24 -5.042 9.878 4.825 123 HA ASP 24 HA ASP 24 -2.507 9.269 5.976 124 HB3 ASP 24 HB3 ASP 24 -3.805 7.723 7.418 125 H THR 25 H THR 25 -1.116 8.160 4.810 126 HA THR 25 HA THR 25 -1.893 5.574 3.530 127 HB THR 25 HB THR 25 -0.004 7.786 2.596 128 HG1 THR 25 HG1 THR 25 -1.928 8.550 2.262 129 HG21 THR 25 HG21 THR 25 0.165 6.638 0.497 130 HG22 THR 25 HG22 THR 25 -1.008 5.403 0.992 131 HG23 THR 25 HG23 THR 25 0.584 5.477 1.773 132 H ILE 26 H ILE 26 -0.609 3.918 4.245 133 HA ILE 26 HA ILE 26 1.576 4.413 6.166 134 HB ILE 26 HB ILE 26 0.515 1.815 5.022 135 HG13 ILE 26 HG13 ILE 26 -0.673 1.503 7.182 136 HG21 ILE 26 HG21 ILE 26 2.732 1.475 5.956 137 HG22 ILE 26 HG22 ILE 26 2.242 2.258 7.474 138 HG23 ILE 26 HG23 ILE 26 1.518 0.722 6.979 139 HD11 ILE 26 HD11 ILE 26 -1.295 3.386 8.561 140 HD12 ILE 26 HD12 ILE 26 0.464 3.232 8.591 141 HD13 ILE 26 HD13 ILE 26 -0.307 4.495 7.597 142 H ILE 27 H ILE 27 3.674 3.482 5.676 143 HA ILE 27 HA ILE 27 4.422 3.360 2.832 144 HB ILE 27 HB ILE 27 4.689 5.732 3.669 145 HG13 ILE 27 HG13 ILE 27 6.967 4.185 2.431 146 HG21 ILE 27 HG21 ILE 27 7.049 4.668 5.227 147 HG22 ILE 27 HG22 ILE 27 6.536 6.363 5.068 148 HG23 ILE 27 HG23 ILE 27 5.506 5.226 5.934 149 HD11 ILE 27 HD11 ILE 27 6.546 5.846 0.619 150 HD12 ILE 27 HD12 ILE 27 5.064 4.966 1.046 151 HD13 ILE 27 HD13 ILE 27 5.330 6.628 1.624 152 H LEU 28 H LEU 28 6.135 1.995 2.507 153 HA LEU 28 HA LEU 28 6.961 0.350 4.858 154 HB3 LEU 28 HB3 LEU 28 7.611 -1.308 3.122 155 HG LEU 28 HG LEU 28 5.596 -2.253 2.570 156 HD11 LEU 28 HD11 LEU 28 4.848 -0.601 5.019 157 HD12 LEU 28 HD12 LEU 28 5.780 -2.106 5.029 158 HD13 LEU 28 HD13 LEU 28 4.103 -2.123 4.495 159 HD21 LEU 28 HD21 LEU 28 4.668 -0.236 1.338 160 HD22 LEU 28 HD22 LEU 28 4.008 0.304 2.892 161 HD23 LEU 28 HD23 LEU 28 3.529 -1.257 2.182 162 H ARG 29 H ARG 29 9.177 -0.154 5.040 163 HA ARG 29 HA ARG 29 11.196 1.275 3.447 164 HB3 ARG 29 HB3 ARG 29 12.437 1.853 5.566 165 HG3 ARG 29 HG3 ARG 29 9.674 3.080 5.358 166 HD3 ARG 29 HD3 ARG 29 12.190 3.998 6.774 167 HE ARG 29 HE ARG 29 10.475 5.652 5.278 168 HH11 ARG 29 HH11 ARG 29 11.644 5.571 8.689 169 HH12 ARG 29 HH12 ARG 29 11.559 7.303 8.796 170 HH21 ARG 29 HH22 ARG 29 10.419 7.818 5.496 171 HH22 ARG 29 HH21 ARG 29 11.074 8.613 6.910 172 H ASN 30 H ASN 30 13.445 0.333 4.393 173 HA ASN 30 HA ASN 30 14.881 -1.329 4.765 174 HB3 ASN 30 HB3 ASN 30 12.649 -3.144 5.710 175 HD21 ASN 30 HD22 ASN 30 13.602 -5.150 5.848 176 HD22 ASN 30 HD21 ASN 30 15.189 -5.473 6.498 177 H LEU 31 H LEU 31 12.567 -1.430 2.392 178 HA LEU 31 HA LEU 31 12.628 -4.213 1.670 179 HB3 LEU 31 HB3 LEU 31 11.318 -3.498 -0.235 180 HG LEU 31 HG LEU 31 10.494 -1.514 1.921 181 HD11 LEU 31 HD11 LEU 31 8.267 -1.871 0.975 182 HD12 LEU 31 HD12 LEU 31 8.906 -3.074 -0.152 183 HD13 LEU 31 HD13 LEU 31 9.398 -1.371 -0.299 184 HD21 LEU 31 HD21 LEU 31 9.798 -4.456 1.686 185 HD22 LEU 31 HD22 LEU 31 9.005 -3.292 2.773 186 HD23 LEU 31 HD23 LEU 31 10.705 -3.701 3.024 187 H ASN 32 H ASN 32 13.345 -4.934 -0.624 188 HA ASN 32 HA ASN 32 15.993 -3.596 -1.216 189 HB3 ASN 32 HB3 ASN 32 15.896 -5.931 -0.275 190 HD21 ASN 32 HD22 ASN 32 17.266 -7.494 -2.602 191 HD22 ASN 32 HD21 ASN 32 15.929 -8.525 -3.083 192 HA PRO 33 HA PRO 33 14.956 -2.634 -5.331 193 HB3 PRO 33 HB3 PRO 33 17.021 -2.275 -6.150 194 HG3 PRO 33 HG3 PRO 33 18.872 -3.364 -5.118 195 HD3 PRO 33 HD3 PRO 33 17.486 -2.642 -3.321 196 H HIS 34 H HIS 34 15.444 -6.078 -4.677 197 HA HIS 34 HA HIS 34 13.930 -6.860 -7.062 198 HB3 HIS 34 HB3 HIS 34 14.514 -9.142 -6.332 199 HD1 HIS 34 HD1 HIS 34 15.862 -9.057 -8.627 200 HD2 HIS 34 HD2 HIS 34 17.698 -7.183 -5.326 201 HE1 HIS 34 HE1 HIS 34 18.265 -8.619 -9.293 202 H SER 35 H SER 35 12.919 -6.029 -3.747 203 HA SER 35 HA SER 35 11.326 -8.136 -3.169 204 HB3 SER 35 HB3 SER 35 11.760 -6.610 -1.508 205 HG SER 35 HG SER 35 10.379 -4.426 -2.565 206 H THR 36 H THR 36 9.090 -8.408 -3.267 207 HA THR 36 HA THR 36 7.797 -7.365 -5.767 208 HB THR 36 HB THR 36 6.357 -9.470 -5.525 209 HG1 THR 36 HG1 THR 36 7.209 -11.123 -4.438 210 HG21 THR 36 HG21 THR 36 9.339 -9.552 -6.121 211 HG22 THR 36 HG22 THR 36 8.020 -9.213 -7.265 212 HG23 THR 36 HG23 THR 36 8.210 -10.832 -6.580 213 H MET 37 H MET 37 5.324 -7.303 -5.720 214 HA MET 37 HA MET 37 4.352 -5.585 -3.633 215 HB3 MET 37 HB3 MET 37 3.189 -7.217 -5.917 216 HG3 MET 37 HG3 MET 37 1.693 -5.555 -3.914 217 HE1 MET 37 HE1 MET 37 0.412 -3.484 -6.898 218 HE2 MET 37 HE2 MET 37 1.243 -3.508 -5.332 219 HE3 MET 37 HE3 MET 37 2.098 -4.050 -6.797 220 H ASP 38 H ASP 38 4.507 -9.047 -4.191 221 HA ASP 38 HA ASP 38 2.427 -10.012 -2.796 222 HB3 ASP 38 HB3 ASP 38 4.418 -11.911 -2.226 223 H SER 39 H SER 39 5.616 -9.241 -1.426 224 HA SER 39 HA SER 39 5.362 -10.295 1.132 225 HB3 SER 39 HB3 SER 39 6.719 -7.623 0.611 226 HG SER 39 HG SER 39 8.445 -8.815 1.689 227 H ILE 40 H ILE 40 4.187 -7.140 -0.097 228 HA ILE 40 HA ILE 40 3.326 -6.247 2.526 229 HB ILE 40 HB ILE 40 2.714 -5.139 -0.254 230 HG13 ILE 40 HG13 ILE 40 4.973 -4.615 1.706 231 HG21 ILE 40 HG21 ILE 40 2.351 -3.946 2.524 232 HG22 ILE 40 HG22 ILE 40 2.149 -3.050 1.001 233 HG23 ILE 40 HG23 ILE 40 1.062 -4.383 1.379 234 HD11 ILE 40 HD11 ILE 40 5.586 -5.827 -0.390 235 HD12 ILE 40 HD12 ILE 40 4.810 -4.549 -1.346 236 HD13 ILE 40 HD13 ILE 40 6.257 -4.196 -0.376 237 H LEU 41 H LEU 41 1.697 -7.514 -0.444 238 HA LEU 41 HA LEU 41 -0.936 -7.362 0.629 239 HB3 LEU 41 HB3 LEU 41 -1.375 -9.295 -1.059 240 HG LEU 41 HG LEU 41 -0.188 -6.680 -2.062 241 HD11 LEU 41 HD11 LEU 41 -1.981 -8.697 -3.463 242 HD12 LEU 41 HD12 LEU 41 -0.232 -8.514 -3.727 243 HD13 LEU 41 HD13 LEU 41 -1.338 -7.179 -4.148 244 HD21 LEU 41 HD21 LEU 41 -2.521 -5.949 -2.349 245 HD22 LEU 41 HD22 LEU 41 -2.240 -6.322 -0.650 246 HD23 LEU 41 HD23 LEU 41 -3.114 -7.475 -1.658 247 H GLY 42 H GLY 42 1.478 -9.985 0.843 248 HA2 GLY 42 HA2 GLY 42 -0.224 -11.872 2.137 249 HA3 GLY 42 HA3 GLY 42 1.546 -11.865 2.132 250 H ALA 43 H ALA 43 1.892 -9.227 3.400 251 HA ALA 43 HA ALA 43 1.788 -10.115 6.134 252 HB1 ALA 43 HB1 ALA 43 2.304 -7.358 4.935 253 HB2 ALA 43 HB2 ALA 43 2.494 -7.765 6.652 254 HB3 ALA 43 HB3 ALA 43 3.512 -8.538 5.429 255 H LEU 44 H LEU 44 -0.182 -7.825 4.223 256 HA LEU 44 HA LEU 44 -1.805 -7.166 6.592 257 HB3 LEU 44 HB3 LEU 44 -2.976 -5.642 4.898 258 HG LEU 44 HG LEU 44 -1.561 -3.907 4.981 259 HD11 LEU 44 HD11 LEU 44 -0.167 -5.642 7.064 260 HD12 LEU 44 HD12 LEU 44 -1.749 -4.856 7.286 261 HD13 LEU 44 HD13 LEU 44 -0.297 -3.876 6.991 262 HD21 LEU 44 HD21 LEU 44 0.876 -3.932 4.875 263 HD22 LEU 44 HD22 LEU 44 0.151 -4.745 3.474 264 HD23 LEU 44 HD23 LEU 44 0.872 -5.695 4.787 265 H ALA 45 H ALA 45 -1.968 -9.663 4.376 266 HA ALA 45 HA ALA 45 -4.441 -9.757 3.340 267 HB1 ALA 45 HB1 ALA 45 -2.922 -11.399 2.748 268 HB2 ALA 45 HB2 ALA 45 -2.713 -11.983 4.396 269 HB3 ALA 45 HB3 ALA 45 -4.258 -12.250 3.550 270 HA PRO 46 HA PRO 46 -6.903 -11.283 6.926 271 HB3 PRO 46 HB3 PRO 46 -5.788 -13.157 7.901 272 HG3 PRO 46 HG3 PRO 46 -3.484 -12.977 8.575 273 HD3 PRO 46 HD3 PRO 46 -3.610 -12.524 6.287 274 H TYR 47 H TYR 47 -5.058 -8.599 7.171 275 HA TYR 47 HA TYR 47 -6.445 -7.638 9.648 276 HB3 TYR 47 HB3 TYR 47 -4.480 -6.398 10.158 277 HD1 TYR 47 HD2 TYR 47 -5.409 -9.061 11.124 278 HD2 TYR 47 HD1 TYR 47 -1.820 -8.034 8.960 279 HE1 TYR 47 HE2 TYR 47 -4.222 -10.983 12.159 280 HE2 TYR 47 HE1 TYR 47 -0.612 -9.851 10.068 281 HH TYR 47 HH TYR 47 -0.827 -11.225 12.245 282 H ALA 48 H ALA 48 -6.795 -7.475 6.508 283 HA ALA 48 HA ALA 48 -7.664 -4.645 6.515 284 HB1 ALA 48 HB1 ALA 48 -6.300 -3.972 4.632 285 HB2 ALA 48 HB2 ALA 48 -5.239 -4.525 5.927 286 HB3 ALA 48 HB3 ALA 48 -5.558 -5.585 4.533 287 H VAL 49 H VAL 49 -8.740 -4.110 4.368 288 HA VAL 49 HA VAL 49 -9.621 -6.424 2.799 289 HB VAL 49 HB VAL 49 -11.304 -6.156 4.379 290 HG11 VAL 49 HG11 VAL 49 -11.741 -3.288 3.555 291 HG12 VAL 49 HG12 VAL 49 -12.696 -4.228 4.709 292 HG13 VAL 49 HG13 VAL 49 -11.014 -3.828 5.089 293 HG21 VAL 49 HG21 VAL 49 -12.269 -4.962 1.747 294 HG22 VAL 49 HG22 VAL 49 -11.888 -6.676 1.985 295 HG23 VAL 49 HG23 VAL 49 -13.219 -5.921 2.889 296 H LEU 50 H LEU 50 -7.933 -5.787 1.433 297 HA LEU 50 HA LEU 50 -8.445 -3.425 -0.234 298 HB3 LEU 50 HB3 LEU 50 -7.153 -2.421 1.465 299 HG LEU 50 HG LEU 50 -5.975 -4.425 2.455 300 HD11 LEU 50 HD11 LEU 50 -4.109 -4.066 0.072 301 HD12 LEU 50 HD12 LEU 50 -5.008 -5.537 0.549 302 HD13 LEU 50 HD13 LEU 50 -3.710 -4.955 1.571 303 HD21 LEU 50 HD21 LEU 50 -3.982 -3.116 3.081 304 HD22 LEU 50 HD22 LEU 50 -5.416 -2.088 3.041 305 HD23 LEU 50 HD23 LEU 50 -4.248 -2.020 1.703 306 H SER 51 H SER 51 -6.282 -3.403 -1.863 307 HA SER 51 HA SER 51 -5.423 -6.098 -2.497 308 HB3 SER 51 HB3 SER 51 -7.686 -4.843 -3.869 309 HG SER 51 HG SER 51 -7.389 -5.026 -5.788 310 H SER 52 H SER 52 -4.780 -5.458 -5.042 311 HA SER 52 HA SER 52 -2.230 -4.033 -4.766 312 HB3 SER 52 HB3 SER 52 -2.134 -6.013 -5.926 313 HG SER 52 HG SER 52 -4.260 -5.347 -7.698 314 H SER 53 H SER 53 -5.352 -2.868 -5.292 315 HA SER 53 HA SER 53 -4.541 -0.505 -6.854 316 HB3 SER 53 HB3 SER 53 -6.521 0.286 -5.005 317 HG SER 53 HG SER 53 -6.910 0.883 -6.963 318 H ASN 54 H ASN 54 -4.818 -1.374 -3.382 319 HA ASN 54 HA ASN 54 -3.985 1.192 -2.445 320 HB3 ASN 54 HB3 ASN 54 -3.892 0.049 -0.220 321 HD21 ASN 54 HD22 ASN 54 -5.751 0.954 0.615 322 HD22 ASN 54 HD21 ASN 54 -7.330 0.774 -0.082 323 H VAL 55 H VAL 55 -2.419 -2.000 -2.708 324 HA VAL 55 HA VAL 55 0.106 -1.121 -1.590 325 HB VAL 55 HB VAL 55 -0.751 -3.678 -3.024 326 HG11 VAL 55 HG11 VAL 55 1.679 -3.184 -1.276 327 HG12 VAL 55 HG12 VAL 55 1.216 -4.710 -2.013 328 HG13 VAL 55 HG13 VAL 55 1.736 -3.359 -3.038 329 HG21 VAL 55 HG21 VAL 55 -0.576 -2.918 -0.074 330 HG22 VAL 55 HG22 VAL 55 -2.021 -3.442 -0.967 331 HG23 VAL 55 HG23 VAL 55 -0.716 -4.585 -0.642 332 H ARG 56 H ARG 56 1.449 0.139 -2.731 333 HA ARG 56 HA ARG 56 1.691 -0.213 -5.690 334 HB3 ARG 56 HB3 ARG 56 1.565 2.428 -4.179 335 HG3 ARG 56 HG3 ARG 56 1.502 1.899 -7.174 336 HD3 ARG 56 HD3 ARG 56 -0.064 3.695 -6.527 337 HE ARG 56 HE ARG 56 1.738 4.417 -4.571 338 HH11 ARG 56 HH11 ARG 56 -0.094 6.098 -7.088 339 HH12 ARG 56 HH12 ARG 56 -0.090 7.640 -6.290 340 HH21 ARG 56 HH22 ARG 56 1.739 6.461 -3.456 341 HH22 ARG 56 HH21 ARG 56 0.902 7.788 -4.156 342 H VAL 57 H VAL 57 3.922 0.263 -6.455 343 HA VAL 57 HA VAL 57 5.930 0.883 -4.411 344 HB VAL 57 HB VAL 57 5.742 -1.400 -4.122 345 HG11 VAL 57 HG11 VAL 57 5.688 -1.741 -7.114 346 HG12 VAL 57 HG12 VAL 57 5.988 -3.085 -5.977 347 HG13 VAL 57 HG13 VAL 57 4.458 -2.197 -5.925 348 HG21 VAL 57 HG21 VAL 57 8.062 -0.598 -4.252 349 HG22 VAL 57 HG22 VAL 57 7.931 -2.279 -4.818 350 HG23 VAL 57 HG23 VAL 57 8.120 -0.975 -5.988 351 H ILE 58 H ILE 58 6.444 2.682 -5.319 352 HA ILE 58 HA ILE 58 7.118 3.246 -8.048 353 HB ILE 58 HB ILE 58 8.417 4.577 -5.635 354 HG13 ILE 58 HG13 ILE 58 6.564 6.409 -6.055 355 HG21 ILE 58 HG21 ILE 58 7.714 5.684 -8.363 356 HG22 ILE 58 HG22 ILE 58 8.565 6.546 -7.068 357 HG23 ILE 58 HG23 ILE 58 9.333 5.179 -7.851 358 HD11 ILE 58 HD11 ILE 58 5.315 4.954 -7.804 359 HD12 ILE 58 HD12 ILE 58 4.811 3.978 -6.395 360 HD13 ILE 58 HD13 ILE 58 4.375 5.681 -6.472 361 H LYS 59 H LYS 59 8.941 2.972 -9.227 362 HA LYS 59 HA LYS 59 11.045 1.149 -8.244 363 HB3 LYS 59 HB3 LYS 59 11.584 1.002 -10.689 364 HG3 LYS 59 HG3 LYS 59 8.636 0.613 -9.961 365 HD3 LYS 59 HD3 LYS 59 8.948 0.706 -12.396 366 HE3 LYS 59 HE3 LYS 59 11.313 -0.602 -11.915 367 HZ1 LYS 59 HZ1 LYS 59 9.892 -2.721 -11.762 368 HZ2 LYS 59 HZ2 LYS 59 11.185 -2.753 -12.769 369 HZ3 LYS 59 HZ3 LYS 59 9.650 -2.572 -13.356 370 H ASP 60 H ASP 60 13.349 1.772 -9.468 371 HA ASP 60 HA ASP 60 13.886 4.610 -8.813 372 HB3 ASP 60 HB3 ASP 60 15.741 2.345 -9.540 373 H LYS 61 H LYS 61 15.425 5.694 -10.344 374 HA LYS 61 HA LYS 61 14.228 5.859 -13.047 375 HB3 LYS 61 HB3 LYS 61 15.992 7.619 -11.367 376 HG3 LYS 61 HG3 LYS 61 15.003 7.990 -14.230 377 HD3 LYS 61 HD3 LYS 61 15.387 9.855 -12.002 378 HE3 LYS 61 HE3 LYS 61 17.558 10.206 -13.221 379 HZ1 LYS 61 HZ1 LYS 61 15.834 11.186 -15.424 380 HZ2 LYS 61 HZ2 LYS 61 16.742 9.803 -15.494 381 HZ3 LYS 61 HZ3 LYS 61 17.468 11.264 -15.367 382 H GLN 62 H GLN 62 17.369 5.152 -11.384 383 HA GLN 62 HA GLN 62 18.948 5.289 -13.819 384 HB3 GLN 62 HB3 GLN 62 20.788 4.839 -12.451 385 HG3 GLN 62 HG3 GLN 62 18.941 6.197 -10.447 386 HE21 GLN 62 HE22 GLN 62 21.121 8.387 -11.250 387 HE22 GLN 62 HE21 GLN 62 22.351 8.074 -10.033 388 H THR 63 H THR 63 17.146 2.920 -11.970 389 HA THR 63 HA THR 63 18.002 0.728 -13.786 390 HB THR 63 HB THR 63 17.841 -0.752 -11.939 391 HG1 THR 63 HG1 THR 63 17.088 0.369 -9.800 392 HG21 THR 63 HG21 THR 63 19.073 1.712 -10.626 393 HG22 THR 63 HG22 THR 63 19.910 0.672 -11.800 394 HG23 THR 63 HG23 THR 63 19.375 0.011 -10.242 395 H GLN 64 H GLN 64 16.060 -1.095 -13.122 396 HA GLN 64 HA GLN 64 13.426 0.219 -13.225 397 HB3 GLN 64 HB3 GLN 64 12.693 -1.554 -14.852 398 HG3 GLN 64 HG3 GLN 64 14.067 -0.738 -16.864 399 HE21 GLN 64 HE22 GLN 64 13.587 1.900 -14.467 400 HE22 GLN 64 HE21 GLN 64 12.034 2.443 -15.125 401 H LEU 65 H LEU 65 14.671 -0.443 -10.933 402 HA LEU 65 HA LEU 65 13.394 -2.929 -9.931 403 HB3 LEU 65 HB3 LEU 65 15.371 -2.984 -8.354 404 HG LEU 65 HG LEU 65 15.822 -3.352 -11.316 405 HD11 LEU 65 HD11 LEU 65 17.962 -3.583 -9.174 406 HD12 LEU 65 HD12 LEU 65 17.837 -2.304 -10.401 407 HD13 LEU 65 HD13 LEU 65 18.112 -3.994 -10.917 408 HD21 LEU 65 HD21 LEU 65 16.032 -5.245 -8.922 409 HD22 LEU 65 HD22 LEU 65 16.168 -5.679 -10.643 410 HD23 LEU 65 HD23 LEU 65 14.625 -5.077 -10.004 411 H ASN 66 H ASN 66 13.602 -2.515 -7.273 412 HA ASN 66 HA ASN 66 11.812 -0.231 -6.936 413 HB3 ASN 66 HB3 ASN 66 11.515 -1.024 -4.679 414 HD21 ASN 66 HD22 ASN 66 11.831 -4.052 -4.526 415 HD22 ASN 66 HD21 ASN 66 10.574 -4.645 -5.560 416 H ARG 67 H ARG 67 11.981 1.208 -5.037 417 HA ARG 67 HA ARG 67 14.732 2.247 -4.540 418 HB3 ARG 67 HB3 ARG 67 13.268 4.329 -3.775 419 HG3 ARG 67 HG3 ARG 67 13.536 3.645 -6.690 420 HD3 ARG 67 HD3 ARG 67 13.403 6.248 -5.110 421 HE ARG 67 HE ARG 67 15.026 5.831 -7.362 422 HH11 ARG 67 HH11 ARG 67 12.458 8.093 -6.439 423 HH12 ARG 67 HH12 ARG 67 13.051 9.366 -7.446 424 HH21 ARG 67 HH22 ARG 67 15.764 7.396 -8.694 425 HH22 ARG 67 HH21 ARG 67 14.903 8.886 -8.952 426 H GLY 68 H GLY 68 13.312 -0.076 -2.947 427 HA2 GLY 68 HA2 GLY 68 13.666 -0.725 -0.842 428 HA3 GLY 68 HA3 GLY 68 14.522 0.781 -0.529 429 H PHE 69 H PHE 69 11.374 1.439 -1.648 430 HA PHE 69 HA PHE 69 10.125 1.311 0.988 431 HB3 PHE 69 HB3 PHE 69 11.091 3.649 0.591 432 HD1 PHE 69 HD1 PHE 69 11.715 4.372 -1.760 433 HD2 PHE 69 HD2 PHE 69 7.632 4.226 -0.408 434 HE1 PHE 69 HE1 PHE 69 11.043 5.887 -3.611 435 HE2 PHE 69 HE2 PHE 69 6.982 5.818 -2.201 436 HZ PHE 69 HZ PHE 69 8.683 6.627 -3.824 437 H ALA 70 H ALA 70 7.654 1.795 0.632 438 HA ALA 70 HA ALA 70 6.606 1.560 -2.005 439 HB1 ALA 70 HB1 ALA 70 5.488 -0.526 -1.877 440 HB2 ALA 70 HB2 ALA 70 7.175 -0.845 -1.583 441 HB3 ALA 70 HB3 ALA 70 6.042 -0.838 -0.216 442 H PHE 71 H PHE 71 3.999 1.307 -1.651 443 HA PHE 71 HA PHE 71 3.227 3.242 0.523 444 HB3 PHE 71 HB3 PHE 71 1.457 3.644 -1.478 445 HD1 PHE 71 HD2 PHE 71 2.545 5.391 0.521 446 HD2 PHE 71 HD1 PHE 71 3.828 4.807 -3.576 447 HE1 PHE 71 HE2 PHE 71 3.390 7.665 0.461 448 HE2 PHE 71 HE1 PHE 71 4.720 7.124 -3.607 449 HZ PHE 71 HZ PHE 71 4.522 8.555 -1.600 450 H ILE 72 H ILE 72 1.103 2.933 1.500 451 HA ILE 72 HA ILE 72 -0.753 1.007 0.267 452 HB ILE 72 HB ILE 72 -0.302 1.031 3.266 453 HG13 ILE 72 HG13 ILE 72 1.725 0.111 2.296 454 HG21 ILE 72 HG21 ILE 72 -1.709 -1.013 1.452 455 HG22 ILE 72 HG22 ILE 72 -1.804 -0.918 3.222 456 HG23 ILE 72 HG23 ILE 72 -2.561 0.320 2.246 457 HD11 ILE 72 HD11 ILE 72 1.824 -1.913 3.577 458 HD12 ILE 72 HD12 ILE 72 0.808 -0.766 4.457 459 HD13 ILE 72 HD13 ILE 72 0.069 -2.103 3.540 460 H GLN 73 H GLN 73 -2.616 2.279 -0.046 461 HA GLN 73 HA GLN 73 -3.046 4.633 1.673 462 HB3 GLN 73 HB3 GLN 73 -3.362 4.476 -0.897 463 HG3 GLN 73 HG3 GLN 73 -6.081 3.493 -0.016 464 HE21 GLN 73 HE22 GLN 73 -6.750 5.633 -0.931 465 HE22 GLN 73 HE21 GLN 73 -6.939 5.805 -2.668 466 H LEU 74 H LEU 74 -4.777 4.877 3.173 467 HA LEU 74 HA LEU 74 -6.423 2.520 3.879 468 HB3 LEU 74 HB3 LEU 74 -5.657 3.500 6.318 469 HG LEU 74 HG LEU 74 -4.101 1.766 6.722 470 HD11 LEU 74 HD11 LEU 74 -6.426 0.666 5.086 471 HD12 LEU 74 HD12 LEU 74 -6.517 1.284 6.749 472 HD13 LEU 74 HD13 LEU 74 -5.547 -0.141 6.399 473 HD21 LEU 74 HD21 LEU 74 -3.243 0.215 5.179 474 HD22 LEU 74 HD22 LEU 74 -2.944 1.810 4.461 475 HD23 LEU 74 HD23 LEU 74 -4.283 0.785 3.873 476 H SER 75 H SER 75 -8.140 3.181 5.490 477 HA SER 75 HA SER 75 -9.217 5.864 5.106 478 HB3 SER 75 HB3 SER 75 -9.976 3.945 7.308 479 HG SER 75 HG SER 75 -12.047 4.906 6.818 480 H THR 76 H THR 76 -9.438 7.385 7.083 481 HA THR 76 HA THR 76 -6.902 8.082 8.007 482 HB THR 76 HB THR 76 -8.221 9.677 9.486 483 HG1 THR 76 HG1 THR 76 -10.537 9.652 8.880 484 HG21 THR 76 HG21 THR 76 -9.040 9.406 6.567 485 HG22 THR 76 HG22 THR 76 -7.607 10.264 7.169 486 HG23 THR 76 HG23 THR 76 -9.231 10.873 7.534 487 H ILE 77 H ILE 77 -9.566 6.926 9.991 488 HA ILE 77 HA ILE 77 -8.137 6.565 12.393 489 HB ILE 77 HB ILE 77 -10.606 5.093 11.414 490 HG13 ILE 77 HG13 ILE 77 -10.704 7.668 11.413 491 HG21 ILE 77 HG21 ILE 77 -9.409 5.469 14.195 492 HG22 ILE 77 HG22 ILE 77 -11.049 4.880 13.917 493 HG23 ILE 77 HG23 ILE 77 -9.682 3.943 13.320 494 HD11 ILE 77 HD11 ILE 77 -12.613 6.478 13.394 495 HD12 ILE 77 HD12 ILE 77 -12.879 7.763 12.201 496 HD13 ILE 77 HD13 ILE 77 -12.684 6.097 11.651 497 H GLU 78 H GLU 78 -8.795 4.345 9.708 498 HA GLU 78 HA GLU 78 -7.820 1.964 10.914 499 HB3 GLU 78 HB3 GLU 78 -7.711 1.098 8.593 500 HG3 GLU 78 HG3 GLU 78 -10.196 2.597 9.418 501 H ALA 79 H ALA 79 -6.252 4.554 9.078 502 HA ALA 79 HA ALA 79 -3.786 3.187 8.492 503 HB1 ALA 79 HB1 ALA 79 -2.928 5.395 7.998 504 HB2 ALA 79 HB2 ALA 79 -4.522 5.220 7.271 505 HB3 ALA 79 HB3 ALA 79 -4.357 6.144 8.758 506 H ALA 80 H ALA 80 -4.875 5.605 10.844 507 HA ALA 80 HA ALA 80 -2.653 5.429 12.587 508 HB1 ALA 80 HB1 ALA 80 -4.072 7.448 12.294 509 HB2 ALA 80 HB2 ALA 80 -5.439 6.591 13.034 510 HB3 ALA 80 HB3 ALA 80 -3.993 6.961 13.996 511 H GLN 81 H GLN 81 -4.722 2.876 12.228 512 HA GLN 81 HA GLN 81 -4.247 2.095 15.057 513 HB3 GLN 81 HB3 GLN 81 -6.728 2.456 14.399 514 HG3 GLN 81 HG3 GLN 81 -6.369 -0.342 13.279 515 HE21 GLN 81 HE22 GLN 81 -8.178 -0.777 11.702 516 HE22 GLN 81 HE21 GLN 81 -9.824 -0.511 12.272 517 H LEU 82 H LEU 82 -4.201 1.273 11.610 518 HA LEU 82 HA LEU 82 -3.339 -1.409 11.884 519 HB3 LEU 82 HB3 LEU 82 -2.813 0.579 9.635 520 HG LEU 82 HG LEU 82 -1.510 -1.559 9.420 521 HD11 LEU 82 HD11 LEU 82 -4.303 -2.816 9.495 522 HD12 LEU 82 HD12 LEU 82 -2.938 -3.169 10.578 523 HD13 LEU 82 HD13 LEU 82 -2.878 -3.651 8.890 524 HD21 LEU 82 HD21 LEU 82 -2.312 -0.319 7.437 525 HD22 LEU 82 HD22 LEU 82 -3.803 -1.290 7.449 526 HD23 LEU 82 HD23 LEU 82 -2.237 -2.065 7.145 527 H LEU 83 H LEU 83 -1.589 1.724 11.734 528 HA LEU 83 HA LEU 83 0.990 0.881 11.322 529 HB3 LEU 83 HB3 LEU 83 0.129 2.980 13.352 530 HG LEU 83 HG LEU 83 2.680 2.389 12.846 531 HD11 LEU 83 HD11 LEU 83 1.884 4.142 10.478 532 HD12 LEU 83 HD12 LEU 83 2.369 2.462 10.373 533 HD13 LEU 83 HD13 LEU 83 3.552 3.664 10.936 534 HD21 LEU 83 HD21 LEU 83 3.209 4.835 13.088 535 HD22 LEU 83 HD22 LEU 83 2.006 4.228 14.242 536 HD23 LEU 83 HD23 LEU 83 1.465 5.163 12.850 537 H GLN 84 H GLN 84 -0.783 0.898 14.436 538 HA GLN 84 HA GLN 84 1.533 0.175 16.011 539 HB3 GLN 84 HB3 GLN 84 -0.662 -0.546 17.527 540 HG3 GLN 84 HG3 GLN 84 1.017 1.012 18.268 541 HE21 GLN 84 HE22 GLN 84 -0.872 3.829 17.872 542 HE22 GLN 84 HE21 GLN 84 0.273 4.637 16.820 543 H ILE 85 H ILE 85 -1.000 -1.656 14.365 544 HA ILE 85 HA ILE 85 -0.424 -4.212 15.541 545 HB ILE 85 HB ILE 85 -1.671 -3.455 12.882 546 HG13 ILE 85 HG13 ILE 85 -2.845 -2.617 14.963 547 HG21 ILE 85 HG21 ILE 85 -1.740 -6.119 14.376 548 HG22 ILE 85 HG22 ILE 85 -2.586 -5.742 12.858 549 HG23 ILE 85 HG23 ILE 85 -0.829 -5.800 12.888 550 HD11 ILE 85 HD11 ILE 85 -4.118 -3.210 12.877 551 HD12 ILE 85 HD12 ILE 85 -4.474 -4.780 13.638 552 HD13 ILE 85 HD13 ILE 85 -5.026 -3.275 14.401 553 H LEU 86 H LEU 86 0.735 -2.486 12.601 554 HA LEU 86 HA LEU 86 2.233 -4.685 11.612 555 HB3 LEU 86 HB3 LEU 86 3.301 -3.204 10.084 556 HG LEU 86 HG LEU 86 0.697 -1.749 10.352 557 HD11 LEU 86 HD11 LEU 86 0.830 -1.677 7.925 558 HD12 LEU 86 HD12 LEU 86 2.321 -2.657 7.959 559 HD13 LEU 86 HD13 LEU 86 2.308 -1.026 8.665 560 HD21 LEU 86 HD21 LEU 86 1.053 -4.538 9.179 561 HD22 LEU 86 HD22 LEU 86 -0.422 -3.530 9.112 562 HD23 LEU 86 HD23 LEU 86 0.129 -4.114 10.654 563 H GLN 87 H GLN 87 3.101 -2.470 14.132 564 HA GLN 87 HA GLN 87 5.950 -2.614 13.900 565 HB3 GLN 87 HB3 GLN 87 5.867 -2.027 16.371 566 HG3 GLN 87 HG3 GLN 87 4.612 0.130 16.065 567 HE21 GLN 87 HE22 GLN 87 5.515 2.009 14.553 568 HE22 GLN 87 HE21 GLN 87 7.180 1.767 14.041 569 H ALA 88 H ALA 88 3.739 -5.136 14.541 570 HA ALA 88 HA ALA 88 5.763 -6.672 16.109 571 HB1 ALA 88 HB1 ALA 88 3.821 -7.908 16.939 572 HB2 ALA 88 HB2 ALA 88 3.705 -6.183 17.312 573 HB3 ALA 88 HB3 ALA 88 2.738 -6.883 15.983 574 H LEU 89 H LEU 89 4.813 -6.569 12.850 575 HA LEU 89 HA LEU 89 4.937 -9.548 12.663 576 HB3 LEU 89 HB3 LEU 89 2.611 -8.826 12.714 577 HG LEU 89 HG LEU 89 3.218 -6.646 11.157 578 HD11 LEU 89 HD11 LEU 89 3.614 -8.003 9.095 579 HD12 LEU 89 HD12 LEU 89 2.222 -6.922 8.930 580 HD13 LEU 89 HD13 LEU 89 1.972 -8.656 9.226 581 HD21 LEU 89 HD21 LEU 89 1.168 -6.979 12.448 582 HD22 LEU 89 HD22 LEU 89 0.567 -8.136 11.247 583 HD23 LEU 89 HD23 LEU 89 0.791 -6.428 10.804 584 H HIS 90 H HIS 90 5.391 -10.404 10.559 585 HA HIS 90 HA HIS 90 6.296 -8.649 8.478 586 HB3 HIS 90 HB3 HIS 90 8.368 -8.631 9.581 587 HD1 HIS 90 HD1 HIS 90 8.782 -9.508 12.095 588 HD2 HIS 90 HD2 HIS 90 8.474 -12.478 9.096 589 HE1 HIS 90 HE1 HIS 90 9.412 -11.695 13.178 590 HA PRO 91 HA PRO 91 4.515 -12.094 6.398 591 HB3 PRO 91 HB3 PRO 91 4.120 -10.554 4.683 592 HG3 PRO 91 HG3 PRO 91 5.848 -8.996 4.018 593 HD3 PRO 91 HD3 PRO 91 5.570 -8.641 6.318 594 HA PRO 92 HA PRO 92 7.651 -15.239 5.694 595 HB3 PRO 92 HB3 PRO 92 5.898 -16.755 5.647 596 HG3 PRO 92 HG3 PRO 92 3.874 -16.289 4.462 597 HD3 PRO 92 HD3 PRO 92 4.186 -14.519 5.992 598 H LEU 93 H LEU 93 6.705 -13.125 3.159 599 HA LEU 93 HA LEU 93 8.291 -14.322 1.071 600 HB3 LEU 93 HB3 LEU 93 7.348 -11.498 0.785 601 HG LEU 93 HG LEU 93 6.518 -12.151 -1.287 602 HD11 LEU 93 HD11 LEU 93 9.017 -12.243 -1.298 603 HD12 LEU 93 HD12 LEU 93 8.265 -13.246 -2.526 604 HD13 LEU 93 HD13 LEU 93 8.928 -14.002 -1.068 605 HD21 LEU 93 HD21 LEU 93 6.676 -15.062 -0.393 606 HD22 LEU 93 HD22 LEU 93 6.094 -14.480 -1.976 607 HD23 LEU 93 HD23 LEU 93 5.217 -14.067 -0.508 608 H THR 94 H THR 94 10.029 -14.006 3.157 609 HA THR 94 HA THR 94 11.477 -11.512 3.146 610 HB THR 94 HB THR 94 12.232 -14.186 4.240 611 HG1 THR 94 HG1 THR 94 10.576 -12.181 5.416 612 HG21 THR 94 HG21 THR 94 13.941 -12.375 4.372 613 HG22 THR 94 HG22 THR 94 13.428 -12.952 5.962 614 HG23 THR 94 HG23 THR 94 12.810 -11.406 5.339 615 H ILE 95 H ILE 95 11.795 -11.548 0.907 616 HA ILE 95 HA ILE 95 13.738 -13.198 -0.527 617 HB ILE 95 HB ILE 95 12.028 -11.587 -1.675 618 HG13 ILE 95 HG13 ILE 95 14.950 -11.262 -2.478 619 HG21 ILE 95 HG21 ILE 95 12.441 -9.620 -0.203 620 HG22 ILE 95 HG22 ILE 95 14.015 -9.416 -0.987 621 HG23 ILE 95 HG23 ILE 95 12.545 -9.287 -1.939 622 HD11 ILE 95 HD11 ILE 95 14.353 -12.988 -4.205 623 HD12 ILE 95 HD12 ILE 95 14.384 -13.642 -2.563 624 HD13 ILE 95 HD13 ILE 95 12.825 -13.276 -3.351 625 H ASP 96 H ASP 96 16.082 -12.888 -0.485 626 HA ASP 96 HA ASP 96 18.067 -12.191 0.335 627 HB3 ASP 96 HB3 ASP 96 16.890 -9.431 -0.180 628 H GLY 97 H GLY 97 16.332 -12.696 2.522 629 HA2 GLY 97 HA2 GLY 97 16.235 -12.414 4.815 630 HA3 GLY 97 HA3 GLY 97 17.705 -11.451 4.696 631 H LYS 98 H LYS 98 14.842 -10.372 2.920 632 HA LYS 98 HA LYS 98 14.912 -7.896 4.480 633 HB3 LYS 98 HB3 LYS 98 13.428 -7.019 2.678 634 HG3 LYS 98 HG3 LYS 98 15.101 -7.441 0.800 635 HD3 LYS 98 HD3 LYS 98 15.669 -6.205 3.522 636 HE3 LYS 98 HE3 LYS 98 17.761 -5.320 2.853 637 HZ1 LYS 98 HZ1 LYS 98 19.160 -7.268 3.002 638 HZ2 LYS 98 HZ2 LYS 98 17.918 -8.276 2.760 639 HZ3 LYS 98 HZ3 LYS 98 18.008 -7.295 4.123 640 H THR 99 H THR 99 13.940 -7.982 6.202 641 HA THR 99 HA THR 99 11.043 -8.705 6.329 642 HB THR 99 HB THR 99 11.214 -7.976 8.732 643 HG1 THR 99 HG1 THR 99 13.223 -6.851 8.705 644 HG21 THR 99 HG21 THR 99 12.192 -10.086 9.452 645 HG22 THR 99 HG22 THR 99 12.975 -10.316 7.881 646 HG23 THR 99 HG23 THR 99 11.206 -10.348 8.009 647 H ILE 100 H ILE 100 9.932 -6.670 7.722 648 HA ILE 100 HA ILE 100 10.103 -4.480 5.715 649 HB ILE 100 HB ILE 100 7.715 -5.966 6.752 650 HG13 ILE 100 HG13 ILE 100 7.440 -7.142 4.638 651 HG21 ILE 100 HG21 ILE 100 6.995 -3.850 6.024 652 HG22 ILE 100 HG22 ILE 100 7.888 -3.995 4.472 653 HG23 ILE 100 HG23 ILE 100 6.472 -5.008 4.819 654 HD11 ILE 100 HD11 ILE 100 8.513 -5.785 2.969 655 HD12 ILE 100 HD12 ILE 100 10.108 -5.936 3.741 656 HD13 ILE 100 HD13 ILE 100 9.323 -7.325 3.015 657 H ASN 101 H ASN 101 10.082 -2.583 6.732 658 HA ASN 101 HA ASN 101 9.753 -2.268 9.625 659 HB3 ASN 101 HB3 ASN 101 9.775 0.156 7.874 660 HD21 ASN 101 HD22 ASN 101 12.611 0.706 9.049 661 HD22 ASN 101 HD21 ASN 101 12.220 1.066 10.720 662 H VAL 102 H VAL 102 8.319 -0.031 10.056 663 HA VAL 102 HA VAL 102 6.034 0.232 8.303 664 HB VAL 102 HB VAL 102 5.102 -1.274 9.807 665 HG11 VAL 102 HG11 VAL 102 5.237 -1.015 12.309 666 HG12 VAL 102 HG12 VAL 102 6.727 -1.531 11.520 667 HG13 VAL 102 HG13 VAL 102 6.552 0.149 12.036 668 HG21 VAL 102 HG21 VAL 102 3.494 0.146 11.174 669 HG22 VAL 102 HG22 VAL 102 4.541 1.507 10.953 670 HG23 VAL 102 HG23 VAL 102 3.732 0.781 9.536 671 H GLU 103 H GLU 103 5.406 2.407 8.157 672 HA GLU 103 HA GLU 103 6.049 4.307 10.144 673 HB3 GLU 103 HB3 GLU 103 7.481 4.458 7.433 674 HG3 GLU 103 HG3 GLU 103 6.960 6.732 7.962 675 H PHE 104 H PHE 104 5.146 6.565 9.185 676 HA PHE 104 HA PHE 104 2.632 5.865 7.748 677 HB3 PHE 104 HB3 PHE 104 2.927 7.815 10.056 678 HD1 PHE 104 HD1 PHE 104 0.764 7.206 7.452 679 HD2 PHE 104 HD2 PHE 104 0.829 6.881 11.777 680 HE1 PHE 104 HE1 PHE 104 -1.649 7.425 7.535 681 HE2 PHE 104 HE2 PHE 104 -1.582 7.158 11.825 682 HZ PHE 104 HZ PHE 104 -2.852 7.443 9.723 683 H ALA 105 H ALA 105 2.625 6.958 5.902 684 HA ALA 105 HA ALA 105 4.019 9.607 5.614 685 HB1 ALA 105 HB1 ALA 105 4.871 7.956 4.065 686 HB2 ALA 105 HB2 ALA 105 3.213 7.582 3.496 687 HB3 ALA 105 HB3 ALA 105 3.938 9.171 3.184 688 H LYS 106 H LYS 106 1.928 10.106 6.973 689 HA LYS 106 HA LYS 106 -0.384 10.741 5.292 690 HB3 LYS 106 HB3 LYS 106 -0.817 9.859 7.549 691 HG3 LYS 106 HG3 LYS 106 -0.567 11.764 9.384 692 HD3 LYS 106 HD3 LYS 106 1.667 9.838 8.732 693 HE3 LYS 106 HE3 LYS 106 2.150 11.616 10.568 694 HZ1 LYS 106 HZ1 LYS 106 1.183 10.468 12.682 695 HZ2 LYS 106 HZ2 LYS 106 -0.104 10.131 11.694 696 HZ3 LYS 106 HZ3 LYS 106 0.316 11.675 11.965 697 H GLY 107 H GLY 107 -0.994 13.223 6.477 698 HA2 GLY 107 HA2 GLY 107 1.211 14.983 6.696 699 HA3 GLY 107 HA3 GLY 107 0.367 15.258 5.156 700 H SER 108 H SER 108 -1.497 16.527 5.269 701 HA SER 108 HA SER 108 -2.823 17.313 7.639 702 HB3 SER 108 HB3 SER 108 -4.336 18.350 6.174 703 HG SER 108 HG SER 108 -2.171 19.105 5.856 704 H LYS 109 H LYS 109 -5.167 16.927 7.980 705 HA LYS 109 HA LYS 109 -5.905 14.095 8.195 706 HB3 LYS 109 HB3 LYS 109 -6.256 15.779 9.990 707 HG3 LYS 109 HG3 LYS 109 -8.490 16.881 8.190 708 HD3 LYS 109 HD3 LYS 109 -9.058 16.726 10.609 709 HE3 LYS 109 HE3 LYS 109 -7.119 18.993 11.111 710 HZ1 LYS 109 HZ1 LYS 109 -8.114 16.775 12.804 711 HZ2 LYS 109 HZ2 LYS 109 -8.723 18.317 12.795 712 HZ3 LYS 109 HZ3 LYS 109 -7.185 18.047 13.306 713 H ARG 110 H ARG 110 -8.685 14.172 7.766 714 HA ARG 110 HA ARG 110 -9.099 15.814 5.400 715 HB3 ARG 110 HB3 ARG 110 -10.930 13.635 5.010 716 HG3 ARG 110 HG3 ARG 110 -8.452 14.004 3.330 717 HD3 ARG 110 HD3 ARG 110 -10.018 14.081 1.488 718 HE ARG 110 HE ARG 110 -10.032 11.671 3.082 719 HH11 ARG 110 HH11 ARG 110 -11.462 13.213 0.191 720 HH12 ARG 110 HH12 ARG 110 -11.748 11.693 -0.602 721 HH21 ARG 110 HH22 ARG 110 -10.362 9.656 1.934 722 HH22 ARG 110 HH21 ARG 110 -11.130 9.702 0.390 723 H ASP 111 H ASP 111 -11.525 15.962 4.955 724 HA ASP 111 HA ASP 111 -13.226 15.510 7.248 725 HB3 ASP 111 HB3 ASP 111 -13.650 18.170 5.903 726 H MET 112 H MET 112 -15.585 15.888 6.385 727 HA MET 112 HA MET 112 -15.947 14.416 3.867 728 HB3 MET 112 HB3 MET 112 -18.410 15.096 4.441 729 HG3 MET 112 HG3 MET 112 -18.429 13.368 6.338 730 HE1 MET 112 HE1 MET 112 -17.038 10.108 4.043 731 HE2 MET 112 HE2 MET 112 -15.985 11.138 5.028 732 HE3 MET 112 HE3 MET 112 -17.485 10.482 5.719 733 H ALA 113 H ALA 113 -16.729 15.318 1.928 734 HA ALA 113 HA ALA 113 -17.630 17.988 1.715 735 HB1 ALA 113 HB1 ALA 113 -15.220 18.545 1.908 736 HB2 ALA 113 HB2 ALA 113 -14.830 17.391 0.627 737 HB3 ALA 113 HB3 ALA 113 -15.777 18.840 0.247 738 H SER 114 H SER 114 -17.462 18.445 -0.973 739 HA SER 114 HA SER 114 -17.508 16.036 -2.538 740 HB3 SER 114 HB3 SER 114 -19.654 16.858 -3.566 741 HG SER 114 HG SER 114 -19.267 15.651 -1.190 742 H ASN 115 H ASN 115 -17.778 16.972 -4.935 743 HA ASN 115 HA ASN 115 -16.753 19.710 -5.221 744 HB3 ASN 115 HB3 ASN 115 -14.742 18.115 -5.199 745 HD21 ASN 115 HD22 ASN 115 -14.782 18.086 -8.692 746 HD22 ASN 115 HD21 ASN 115 -15.085 16.367 -8.814 747 H GLU 116 H GLU 116 -16.719 20.257 -7.625 748 HA GLU 116 HA GLU 116 -18.035 18.562 -9.458 749 HB3 GLU 116 HB3 GLU 116 -19.511 21.112 -9.465 750 HG3 GLU 116 HG3 GLU 116 -21.492 19.679 -9.619 751 H GLY 117 H GLY 117 -17.579 19.395 -11.628 752 HA2 GLY 117 HA2 GLY 117 -16.795 21.883 -12.428 753 HA3 GLY 117 HA3 GLY 117 -15.301 21.133 -11.816 754 H SER 118 H SER 118 -15.530 21.722 -14.533 755 HA SER 118 HA SER 118 -16.335 19.242 -15.919 756 HB3 SER 118 HB3 SER 118 -15.000 21.754 -17.017 757 HG SER 118 HG SER 118 -16.302 19.501 -18.189 758 H ARG 119 H ARG 119 -14.788 18.093 -17.274 759 HA ARG 119 HA ARG 119 -11.922 18.335 -16.628 760 HB3 ARG 119 HB3 ARG 119 -13.465 15.707 -16.481 761 HG3 ARG 119 HG3 ARG 119 -11.388 14.862 -15.397 762 HD3 ARG 119 HD3 ARG 119 -10.631 15.909 -18.150 763 HE ARG 119 HE ARG 119 -10.193 13.180 -17.772 764 HH11 ARG 119 HH11 ARG 119 -8.687 16.280 -16.683 765 HH12 ARG 119 HH12 ARG 119 -7.097 15.699 -17.006 766 HH21 ARG 119 HH22 ARG 119 -8.010 12.393 -17.863 767 HH22 ARG 119 HH21 ARG 119 -6.710 13.457 -17.509 768 H ILE 120 H ILE 120 -11.779 19.274 -18.685 769 HA ILE 120 HA ILE 120 -11.892 17.314 -20.919 770 HB ILE 120 HB ILE 120 -12.878 20.195 -20.995 771 HG13 ILE 120 HG13 ILE 120 -15.042 19.392 -21.600 772 HG21 ILE 120 HG21 ILE 120 -11.711 19.856 -23.066 773 HG22 ILE 120 HG22 ILE 120 -12.468 18.265 -23.313 774 HG23 ILE 120 HG23 ILE 120 -13.437 19.753 -23.404 775 HD11 ILE 120 HD11 ILE 120 -14.637 17.350 -22.883 776 HD12 ILE 120 HD12 ILE 120 -13.968 16.533 -21.454 777 HD13 ILE 120 HD13 ILE 120 -15.679 16.990 -21.502 778 H SER 121 H SER 121 -10.106 17.490 -22.311 779 HA SER 121 HA SER 121 -8.390 19.857 -22.216 780 HB3 SER 121 HB3 SER 121 -7.345 17.035 -21.710 781 HG SER 121 HG SER 121 -5.991 19.545 -21.954 782 H ALA 122 H ALA 122 -8.419 20.406 -24.419 783 HA ALA 122 HA ALA 122 -7.729 18.441 -26.387 784 HB1 ALA 122 HB1 ALA 122 -9.717 18.824 -27.823 785 HB2 ALA 122 HB2 ALA 122 -10.195 18.073 -26.293 786 HB3 ALA 122 HB3 ALA 122 -10.462 19.814 -26.550 787 H ALA 123 H ALA 123 -7.787 19.741 -28.601 788 HA ALA 123 HA ALA 123 -7.558 22.629 -28.331 789 HB1 ALA 123 HB1 ALA 123 -5.324 22.741 -29.418 790 HB2 ALA 123 HB2 ALA 123 -5.250 22.015 -27.803 791 HB3 ALA 123 HB3 ALA 123 -5.148 20.979 -29.243 792 H SER 124 H SER 124 -6.435 20.176 -30.768 793 HA SER 124 HA SER 124 -8.803 20.459 -32.349 794 HB3 SER 124 HB3 SER 124 -6.151 21.399 -33.542 795 HG SER 124 HG SER 124 -7.706 22.122 -35.180 796 H VAL 125 H VAL 125 -8.288 19.047 -34.450 797 HA VAL 125 HA VAL 125 -6.515 16.773 -33.814 798 HB VAL 125 HB VAL 125 -9.503 16.498 -34.376 799 HG11 VAL 125 HG11 VAL 125 -8.174 14.677 -35.409 800 HG12 VAL 125 HG12 VAL 125 -7.367 14.370 -33.853 801 HG13 VAL 125 HG13 VAL 125 -9.110 14.072 -34.042 802 HG21 VAL 125 HG21 VAL 125 -9.609 15.417 -32.128 803 HG22 VAL 125 HG22 VAL 125 -7.929 15.917 -31.831 804 HG23 VAL 125 HG23 VAL 125 -9.211 17.129 -32.041 805 H ALA 126 H ALA 126 -5.208 16.918 -35.603 806 HA ALA 126 HA ALA 126 -6.448 16.539 -38.207 807 HB1 ALA 126 HB1 ALA 126 -4.947 18.203 -39.278 808 HB2 ALA 126 HB2 ALA 126 -6.093 18.992 -38.176 809 HB3 ALA 126 HB3 ALA 126 -4.400 18.751 -37.680 810 H SER 127 H SER 127 -5.291 14.916 -39.182 811 HA SER 127 HA SER 127 -2.581 14.216 -38.201 812 HB3 SER 127 HB3 SER 127 -4.108 13.215 -36.646 813 HG SER 127 HG SER 127 -5.414 11.712 -38.583 814 H THR 128 H THR 128 -3.749 15.112 -40.940 815 HA THR 128 HA THR 128 -2.394 13.043 -42.432 816 HB THR 128 HB THR 128 -4.741 12.252 -42.386 817 HG1 THR 128 HG1 THR 128 -4.228 13.056 -45.034 818 HG21 THR 128 HG21 THR 128 -6.499 13.376 -43.652 819 HG22 THR 128 HG22 THR 128 -5.439 14.768 -43.959 820 HG23 THR 128 HG23 THR 128 -5.968 14.392 -42.305 821 H ALA 129 H ALA 129 -2.235 13.829 -44.751 822 HA ALA 129 HA ALA 129 -2.468 16.692 -45.203 823 HB1 ALA 129 HB1 ALA 129 -0.181 16.845 -46.134 824 HB2 ALA 129 HB2 ALA 129 -0.106 16.390 -44.426 825 HB3 ALA 129 HB3 ALA 129 0.137 15.156 -45.685 826 H ILE 130 H ILE 130 -1.342 16.562 -47.806 827 HA ILE 130 HA ILE 130 -2.191 14.194 -49.163 828 HB ILE 130 HB ILE 130 -4.216 15.573 -49.311 829 HG13 ILE 130 HG13 ILE 130 -3.389 14.116 -51.228 830 HG21 ILE 130 HG21 ILE 130 -4.270 17.747 -50.464 831 HG22 ILE 130 HG22 ILE 130 -3.216 17.836 -49.054 832 HG23 ILE 130 HG23 ILE 130 -2.511 17.702 -50.679 833 HD11 ILE 130 HD11 ILE 130 -5.178 16.428 -52.082 834 HD12 ILE 130 HD12 ILE 130 -5.072 14.819 -52.810 835 HD13 ILE 130 HD13 ILE 130 -5.722 14.999 -51.168 836 H ALA 131 H ALA 131 -1.101 14.325 -51.461 837 HA ALA 131 HA ALA 131 0.863 16.299 -51.919 838 HB1 ALA 131 HB1 ALA 131 2.234 14.701 -50.571 839 HB2 ALA 131 HB2 ALA 131 1.647 13.358 -51.594 840 HB3 ALA 131 HB3 ALA 131 2.659 14.633 -52.299 Start of MODEL 2 1 H1 GLN 1 H1 GLN 1 -4.040 13.118 -7.229 2 HA GLN 1 HA GLN 1 -4.309 15.446 -7.803 3 HB3 GLN 1 HB3 GLN 1 -6.681 16.144 -8.547 4 HG3 GLN 1 HG3 GLN 1 -4.757 14.674 -10.377 5 HE21 GLN 1 HE22 GLN 1 -6.069 17.309 -11.959 6 HE22 GLN 1 HE21 GLN 1 -7.403 16.547 -12.761 7 H ALA 2 H ALA 2 -5.274 16.960 -6.353 8 HA ALA 2 HA ALA 2 -7.268 15.987 -4.443 9 HB1 ALA 2 HB1 ALA 2 -5.960 16.929 -2.552 10 HB2 ALA 2 HB2 ALA 2 -5.184 15.501 -3.268 11 HB3 ALA 2 HB3 ALA 2 -4.563 17.124 -3.647 12 H GLN 3 H GLN 3 -8.531 17.271 -5.797 13 HA GLN 3 HA GLN 3 -8.373 20.199 -5.284 14 HB3 GLN 3 HB3 GLN 3 -9.379 20.424 -7.640 15 HG3 GLN 3 HG3 GLN 3 -6.519 19.446 -7.259 16 HE21 GLN 3 HE22 GLN 3 -7.337 22.093 -9.433 17 HE22 GLN 3 HE21 GLN 3 -6.956 21.202 -10.894 18 H GLY 4 H GLY 4 -10.544 21.180 -5.675 19 HA2 GLY 4 HA2 GLY 4 -12.996 20.854 -5.562 20 HA3 GLY 4 HA3 GLY 4 -12.704 19.506 -4.450 21 H VAL 5 H VAL 5 -11.849 19.966 -2.310 22 HA VAL 5 HA VAL 5 -12.448 22.709 -1.465 23 HB VAL 5 HB VAL 5 -13.488 20.814 -0.356 24 HG11 VAL 5 HG11 VAL 5 -12.450 19.446 1.259 25 HG12 VAL 5 HG12 VAL 5 -11.517 19.257 -0.237 26 HG13 VAL 5 HG13 VAL 5 -10.891 20.263 1.083 27 HG21 VAL 5 HG21 VAL 5 -13.317 23.016 0.691 28 HG22 VAL 5 HG22 VAL 5 -13.253 21.706 1.896 29 HG23 VAL 5 HG23 VAL 5 -11.770 22.556 1.431 30 H LEU 6 H LEU 6 -10.914 24.096 -1.808 31 HA LEU 6 HA LEU 6 -8.865 24.292 0.071 32 HB3 LEU 6 HB3 LEU 6 -7.663 22.979 -1.658 33 HG LEU 6 HG LEU 6 -8.824 24.495 -3.593 34 HD11 LEU 6 HD11 LEU 6 -6.125 25.784 -3.058 35 HD12 LEU 6 HD12 LEU 6 -7.706 26.548 -2.864 36 HD13 LEU 6 HD13 LEU 6 -7.156 26.079 -4.473 37 HD21 LEU 6 HD21 LEU 6 -7.151 23.646 -5.134 38 HD22 LEU 6 HD22 LEU 6 -7.490 22.407 -3.907 39 HD23 LEU 6 HD23 LEU 6 -6.014 23.396 -3.800 40 H ALA 7 H ALA 7 -8.219 26.560 0.168 41 HA ALA 7 HA ALA 7 -9.717 28.400 -1.622 42 HB1 ALA 7 HB1 ALA 7 -9.163 28.746 1.361 43 HB2 ALA 7 HB2 ALA 7 -9.982 29.914 0.297 44 HB3 ALA 7 HB3 ALA 7 -10.745 28.354 0.642 45 H SER 8 H SER 8 -8.549 30.720 -1.115 46 HA SER 8 HA SER 8 -5.688 30.475 -0.675 47 HB3 SER 8 HB3 SER 8 -6.696 31.906 -3.167 48 HG SER 8 HG SER 8 -4.170 30.746 -2.727 49 H GLN 9 H GLN 9 -4.853 32.639 -0.064 50 HA GLN 9 HA GLN 9 -6.684 34.889 -0.146 51 HB3 GLN 9 HB3 GLN 9 -5.617 33.834 2.510 52 HG3 GLN 9 HG3 GLN 9 -6.909 36.485 1.765 53 HE21 GLN 9 HE22 GLN 9 -6.740 37.940 4.002 54 HE22 GLN 9 HE21 GLN 9 -7.668 37.213 5.296 55 H ALA 10 H ALA 10 -5.494 36.808 -0.286 56 HA ALA 10 HA ALA 10 -2.783 36.668 -1.210 57 HB1 ALA 10 HB1 ALA 10 -4.185 38.526 -1.918 58 HB2 ALA 10 HB2 ALA 10 -4.533 38.970 -0.234 59 HB3 ALA 10 HB3 ALA 10 -2.907 39.192 -0.894 60 H LEU 11 H LEU 11 -0.927 36.659 -0.061 61 HA LEU 11 HA LEU 11 -1.068 37.199 2.851 62 HB3 LEU 11 HB3 LEU 11 -0.989 34.856 2.496 63 HG LEU 11 HG LEU 11 0.717 35.181 0.311 64 HD11 LEU 11 HD11 LEU 11 2.637 35.638 1.854 65 HD12 LEU 11 HD12 LEU 11 2.848 34.154 0.899 66 HD13 LEU 11 HD13 LEU 11 2.361 34.049 2.617 67 HD21 LEU 11 HD21 LEU 11 -0.714 33.248 0.702 68 HD22 LEU 11 HD22 LEU 11 0.314 32.706 2.052 69 HD23 LEU 11 HD23 LEU 11 0.942 32.718 0.381 70 H SER 12 H SER 12 -0.074 39.019 3.315 71 HA SER 12 HA SER 12 1.928 40.125 1.483 72 HB3 SER 12 HB3 SER 12 0.438 41.767 2.060 73 HG SER 12 HG SER 12 -0.898 40.989 3.492 74 H GLN 13 H GLN 13 2.058 38.180 4.254 75 HA GLN 13 HA GLN 13 4.492 39.506 5.346 76 HB3 GLN 13 HB3 GLN 13 2.232 40.086 6.319 77 HG3 GLN 13 HG3 GLN 13 2.341 37.402 7.724 78 HE21 GLN 13 HE22 GLN 13 1.216 40.435 8.340 79 HE22 GLN 13 HE21 GLN 13 -0.447 40.035 8.651 80 H GLY 14 H GLY 14 4.990 37.805 7.474 81 HA2 GLY 14 HA2 GLY 14 5.963 35.338 6.217 82 HA3 GLY 14 HA3 GLY 14 6.243 35.893 7.884 83 H SER 15 H SER 15 3.553 34.743 5.716 84 HA SER 15 HA SER 15 2.545 32.998 7.788 85 HB3 SER 15 HB3 SER 15 0.786 34.556 7.714 86 HG SER 15 HG SER 15 -0.027 35.349 5.678 87 H GLU 16 H GLU 16 1.807 31.126 6.755 88 HA GLU 16 HA GLU 16 2.865 30.530 4.040 89 HB3 GLU 16 HB3 GLU 16 4.534 29.767 5.635 90 HG3 GLU 16 HG3 GLU 16 2.296 28.067 6.829 91 HA PRO 17 HA PRO 17 -1.050 28.385 3.553 92 HB3 PRO 17 HB3 PRO 17 -0.582 28.421 1.278 93 HG3 PRO 17 HG3 PRO 17 1.602 27.889 0.445 94 HD3 PRO 17 HD3 PRO 17 1.917 29.667 1.959 95 H SER 18 H SER 18 -2.055 26.181 3.834 96 HA SER 18 HA SER 18 -0.391 23.981 4.718 97 HB3 SER 18 HB3 SER 18 -0.366 25.271 6.764 98 HG SER 18 HG SER 18 -2.196 26.614 6.388 99 H SER 19 H SER 19 -2.088 22.232 5.673 100 HA SER 19 HA SER 19 -4.805 22.586 4.787 101 HB3 SER 19 HB3 SER 19 -3.947 21.690 2.719 102 HG SER 19 HG SER 19 -3.207 19.236 3.582 103 H GLU 20 H GLU 20 -6.205 20.903 5.828 104 HA GLU 20 HA GLU 20 -4.906 18.895 7.421 105 HB3 GLU 20 HB3 GLU 20 -7.099 20.315 8.902 106 HG3 GLU 20 HG3 GLU 20 -4.406 19.219 9.821 107 H ASN 21 H ASN 21 -7.327 17.874 8.546 108 HA ASN 21 HA ASN 21 -9.155 16.665 8.154 109 HB3 ASN 21 HB3 ASN 21 -10.885 17.416 6.602 110 HD21 ASN 21 HD22 ASN 21 -10.518 17.945 9.360 111 HD22 ASN 21 HD21 ASN 21 -10.970 19.608 9.618 112 H ALA 22 H ALA 22 -6.626 16.508 5.977 113 HA ALA 22 HA ALA 22 -7.769 14.098 4.706 114 HB1 ALA 22 HB1 ALA 22 -6.562 16.395 3.112 115 HB2 ALA 22 HB2 ALA 22 -7.096 14.814 2.486 116 HB3 ALA 22 HB3 ALA 22 -8.294 15.954 3.134 117 H ASN 23 H ASN 23 -6.394 12.837 5.892 118 HA ASN 23 HA ASN 23 -3.790 12.597 4.815 119 HB3 ASN 23 HB3 ASN 23 -3.384 14.422 6.348 120 HD21 ASN 23 HD22 ASN 23 -5.756 13.533 8.028 121 HD22 ASN 23 HD21 ASN 23 -5.113 13.723 9.641 122 H ASP 24 H ASP 24 -3.894 10.561 4.421 123 HA ASP 24 HA ASP 24 -3.414 8.711 6.492 124 HB3 ASP 24 HB3 ASP 24 -5.651 8.360 6.899 125 H THR 25 H THR 25 -1.786 7.641 5.559 126 HA THR 25 HA THR 25 -2.048 6.181 3.089 127 HB THR 25 HB THR 25 -0.240 8.628 3.109 128 HG1 THR 25 HG1 THR 25 -2.554 8.468 2.231 129 HG21 THR 25 HG21 THR 25 -0.206 6.299 1.154 130 HG22 THR 25 HG22 THR 25 1.123 6.840 2.209 131 HG23 THR 25 HG23 THR 25 0.577 7.873 0.877 132 H ILE 26 H ILE 26 -0.696 4.383 3.310 133 HA ILE 26 HA ILE 26 1.327 4.475 5.510 134 HB ILE 26 HB ILE 26 0.182 2.132 4.024 135 HG13 ILE 26 HG13 ILE 26 -0.888 1.434 6.036 136 HG21 ILE 26 HG21 ILE 26 2.410 1.497 4.562 137 HG22 ILE 26 HG22 ILE 26 2.280 2.173 6.207 138 HG23 ILE 26 HG23 ILE 26 1.370 0.733 5.751 139 HD11 ILE 26 HD11 ILE 26 -1.104 2.619 8.035 140 HD12 ILE 26 HD12 ILE 26 0.628 2.548 7.750 141 HD13 ILE 26 HD13 ILE 26 -0.268 4.050 7.384 142 H ILE 27 H ILE 27 3.389 3.569 4.910 143 HA ILE 27 HA ILE 27 4.235 3.717 2.139 144 HB ILE 27 HB ILE 27 4.594 5.984 3.199 145 HG13 ILE 27 HG13 ILE 27 6.921 4.443 2.066 146 HG21 ILE 27 HG21 ILE 27 6.267 6.347 4.888 147 HG22 ILE 27 HG22 ILE 27 5.133 5.133 5.489 148 HG23 ILE 27 HG23 ILE 27 6.715 4.626 4.884 149 HD11 ILE 27 HD11 ILE 27 6.807 6.378 0.442 150 HD12 ILE 27 HD12 ILE 27 5.286 5.459 0.510 151 HD13 ILE 27 HD13 ILE 27 5.440 7.018 1.341 152 H LEU 28 H LEU 28 6.096 2.259 1.937 153 HA LEU 28 HA LEU 28 6.547 0.538 4.348 154 HB3 LEU 28 HB3 LEU 28 7.418 -1.166 2.798 155 HG LEU 28 HG LEU 28 5.474 -2.063 1.848 156 HD11 LEU 28 HD11 LEU 28 4.587 -0.697 4.419 157 HD12 LEU 28 HD12 LEU 28 5.628 -2.125 4.337 158 HD13 LEU 28 HD13 LEU 28 3.960 -2.205 3.744 159 HD21 LEU 28 HD21 LEU 28 4.640 0.171 0.852 160 HD22 LEU 28 HD22 LEU 28 3.811 0.390 2.399 161 HD23 LEU 28 HD23 LEU 28 3.451 -1.013 1.373 162 H ARG 29 H ARG 29 8.744 -0.058 4.747 163 HA ARG 29 HA ARG 29 10.849 1.342 3.174 164 HB3 ARG 29 HB3 ARG 29 12.045 1.653 5.423 165 HG3 ARG 29 HG3 ARG 29 9.540 3.348 5.203 166 HD3 ARG 29 HD3 ARG 29 12.221 3.547 6.503 167 HE ARG 29 HE ARG 29 11.680 5.427 4.514 168 HH11 ARG 29 HH11 ARG 29 12.694 5.322 7.962 169 HH12 ARG 29 HH12 ARG 29 13.433 6.869 7.878 170 HH21 ARG 29 HH22 ARG 29 12.504 7.535 4.556 171 HH22 ARG 29 HH21 ARG 29 13.585 8.035 5.819 172 H ASN 30 H ASN 30 12.973 0.413 3.709 173 HA ASN 30 HA ASN 30 14.489 -1.240 3.935 174 HB3 ASN 30 HB3 ASN 30 12.579 -2.672 5.823 175 HD21 ASN 30 HD22 ASN 30 13.960 -4.519 5.192 176 HD22 ASN 30 HD21 ASN 30 15.485 -4.729 5.984 177 H LEU 31 H LEU 31 13.734 -1.564 1.633 178 HA LEU 31 HA LEU 31 12.752 -4.330 1.204 179 HB3 LEU 31 HB3 LEU 31 11.610 -3.433 -0.841 180 HG LEU 31 HG LEU 31 10.761 -2.031 1.740 181 HD11 LEU 31 HD11 LEU 31 8.608 -1.703 0.708 182 HD12 LEU 31 HD12 LEU 31 9.185 -2.399 -0.823 183 HD13 LEU 31 HD13 LEU 31 9.862 -0.871 -0.221 184 HD21 LEU 31 HD21 LEU 31 9.010 -3.787 1.752 185 HD22 LEU 31 HD22 LEU 31 10.638 -4.453 1.913 186 HD23 LEU 31 HD23 LEU 31 9.796 -4.584 0.357 187 H ASN 32 H ASN 32 14.157 -5.605 -0.167 188 HA ASN 32 HA ASN 32 16.548 -4.284 -1.078 189 HB3 ASN 32 HB3 ASN 32 15.961 -6.866 -2.318 190 HD21 ASN 32 HD22 ASN 32 17.908 -8.222 -2.173 191 HD22 ASN 32 HD21 ASN 32 19.115 -7.731 -1.008 192 HA PRO 33 HA PRO 33 15.333 -2.723 -4.880 193 HB3 PRO 33 HB3 PRO 33 17.326 -2.291 -5.790 194 HG3 PRO 33 HG3 PRO 33 19.175 -3.427 -4.921 195 HD3 PRO 33 HD3 PRO 33 17.909 -3.260 -2.948 196 H HIS 34 H HIS 34 15.601 -6.272 -4.984 197 HA HIS 34 HA HIS 34 13.737 -6.428 -7.273 198 HB3 HIS 34 HB3 HIS 34 14.158 -8.904 -6.911 199 HD1 HIS 34 HD1 HIS 34 15.481 -9.493 -9.090 200 HD2 HIS 34 HD2 HIS 34 17.075 -6.236 -6.928 201 HE1 HIS 34 HE1 HIS 34 17.474 -8.598 -10.412 202 H SER 35 H SER 35 13.014 -5.710 -4.144 203 HA SER 35 HA SER 35 11.534 -7.804 -3.203 204 HB3 SER 35 HB3 SER 35 10.353 -6.083 -1.830 205 HG SER 35 HG SER 35 13.097 -5.525 -2.075 206 H THR 36 H THR 36 9.182 -7.803 -2.950 207 HA THR 36 HA THR 36 7.573 -6.685 -5.219 208 HB THR 36 HB THR 36 6.228 -8.823 -5.158 209 HG1 THR 36 HG1 THR 36 8.359 -9.607 -3.496 210 HG21 THR 36 HG21 THR 36 7.762 -8.312 -6.944 211 HG22 THR 36 HG22 THR 36 7.757 -10.051 -6.588 212 HG23 THR 36 HG23 THR 36 9.119 -9.046 -6.044 213 H MET 37 H MET 37 5.322 -6.655 -4.922 214 HA MET 37 HA MET 37 4.581 -5.265 -2.541 215 HB3 MET 37 HB3 MET 37 3.882 -5.098 -5.058 216 HG3 MET 37 HG3 MET 37 1.456 -6.628 -4.153 217 HE1 MET 37 HE1 MET 37 0.322 -4.501 -5.454 218 HE2 MET 37 HE2 MET 37 1.901 -3.815 -5.913 219 HE3 MET 37 HE3 MET 37 0.643 -4.110 -7.134 220 H ASP 38 H ASP 38 4.509 -8.576 -3.534 221 HA ASP 38 HA ASP 38 2.283 -9.637 -2.339 222 HB3 ASP 38 HB3 ASP 38 5.022 -10.970 -2.510 223 H SER 39 H SER 39 5.502 -9.073 -0.924 224 HA SER 39 HA SER 39 5.511 -9.986 1.532 225 HB3 SER 39 HB3 SER 39 7.122 -8.219 1.916 226 HG SER 39 HG SER 39 7.226 -7.898 -0.845 227 H ILE 40 H ILE 40 3.527 -7.236 0.453 228 HA ILE 40 HA ILE 40 3.002 -6.445 3.208 229 HB ILE 40 HB ILE 40 1.942 -5.386 0.539 230 HG13 ILE 40 HG13 ILE 40 4.073 -4.396 2.482 231 HG21 ILE 40 HG21 ILE 40 0.263 -5.034 2.348 232 HG22 ILE 40 HG22 ILE 40 1.508 -4.185 3.297 233 HG23 ILE 40 HG23 ILE 40 0.942 -3.543 1.731 234 HD11 ILE 40 HD11 ILE 40 5.256 -3.773 0.368 235 HD12 ILE 40 HD12 ILE 40 5.004 -5.511 0.481 236 HD13 ILE 40 HD13 ILE 40 3.962 -4.541 -0.562 237 H LEU 41 H LEU 41 1.397 -7.871 0.406 238 HA LEU 41 HA LEU 41 -1.245 -8.049 1.405 239 HB3 LEU 41 HB3 LEU 41 -1.460 -9.785 -0.445 240 HG LEU 41 HG LEU 41 -0.034 -7.214 -1.239 241 HD11 LEU 41 HD11 LEU 41 -1.124 -7.469 -3.377 242 HD12 LEU 41 HD12 LEU 41 -1.942 -8.946 -2.832 243 HD13 LEU 41 HD13 LEU 41 -0.175 -8.931 -3.026 244 HD21 LEU 41 HD21 LEU 41 -3.015 -7.743 -0.888 245 HD22 LEU 41 HD22 LEU 41 -2.321 -6.294 -1.650 246 HD23 LEU 41 HD23 LEU 41 -2.027 -6.620 0.064 247 H GLY 42 H GLY 42 1.425 -10.454 1.502 248 HA2 GLY 42 HA2 GLY 42 -0.064 -12.456 2.824 249 HA3 GLY 42 HA3 GLY 42 1.696 -12.314 2.814 250 H ALA 43 H ALA 43 1.577 -9.590 4.202 251 HA ALA 43 HA ALA 43 1.401 -10.633 6.955 252 HB1 ALA 43 HB1 ALA 43 2.142 -7.937 5.759 253 HB2 ALA 43 HB2 ALA 43 1.781 -8.121 7.493 254 HB3 ALA 43 HB3 ALA 43 3.096 -9.015 6.798 255 H LEU 44 H LEU 44 -0.496 -8.471 4.809 256 HA LEU 44 HA LEU 44 -2.051 -7.720 7.214 257 HB3 LEU 44 HB3 LEU 44 -2.400 -5.597 6.142 258 HG LEU 44 HG LEU 44 0.531 -6.323 5.773 259 HD11 LEU 44 HD11 LEU 44 0.973 -4.000 6.151 260 HD12 LEU 44 HD12 LEU 44 -0.725 -3.660 6.529 261 HD13 LEU 44 HD13 LEU 44 -0.245 -4.112 4.876 262 HD21 LEU 44 HD21 LEU 44 -0.168 -6.988 8.070 263 HD22 LEU 44 HD22 LEU 44 -0.891 -5.397 8.310 264 HD23 LEU 44 HD23 LEU 44 0.872 -5.579 8.101 265 H ALA 45 H ALA 45 -2.702 -9.699 4.670 266 HA ALA 45 HA ALA 45 -5.039 -9.008 3.543 267 HB1 ALA 45 HB1 ALA 45 -3.827 -11.089 3.083 268 HB2 ALA 45 HB2 ALA 45 -4.370 -11.781 4.610 269 HB3 ALA 45 HB3 ALA 45 -5.555 -11.396 3.342 270 HA PRO 46 HA PRO 46 -8.039 -10.348 6.896 271 HB3 PRO 46 HB3 PRO 46 -7.271 -12.000 8.358 272 HG3 PRO 46 HG3 PRO 46 -4.998 -12.024 9.079 273 HD3 PRO 46 HD3 PRO 46 -4.876 -11.880 6.729 274 H TYR 47 H TYR 47 -5.448 -8.232 8.103 275 HA TYR 47 HA TYR 47 -7.270 -6.678 9.735 276 HB3 TYR 47 HB3 TYR 47 -5.326 -5.560 10.478 277 HD1 TYR 47 HD2 TYR 47 -6.194 -7.993 11.602 278 HD2 TYR 47 HD1 TYR 47 -2.688 -7.393 9.180 279 HE1 TYR 47 HE2 TYR 47 -5.206 -10.068 12.534 280 HE2 TYR 47 HE1 TYR 47 -1.675 -9.440 10.107 281 HH TYR 47 HH TYR 47 -3.252 -11.429 12.635 282 H ALA 48 H ALA 48 -6.981 -6.708 6.428 283 HA ALA 48 HA ALA 48 -7.820 -3.963 6.075 284 HB1 ALA 48 HB1 ALA 48 -5.144 -4.875 4.924 285 HB2 ALA 48 HB2 ALA 48 -5.970 -3.335 4.581 286 HB3 ALA 48 HB3 ALA 48 -5.365 -3.666 6.218 287 H VAL 49 H VAL 49 -9.384 -4.167 4.691 288 HA VAL 49 HA VAL 49 -9.428 -6.391 2.721 289 HB VAL 49 HB VAL 49 -11.529 -4.630 3.966 290 HG11 VAL 49 HG11 VAL 49 -13.145 -6.027 2.584 291 HG12 VAL 49 HG12 VAL 49 -12.265 -4.798 1.666 292 HG13 VAL 49 HG13 VAL 49 -11.765 -6.504 1.576 293 HG21 VAL 49 HG21 VAL 49 -11.049 -7.645 3.883 294 HG22 VAL 49 HG22 VAL 49 -10.795 -6.583 5.281 295 HG23 VAL 49 HG23 VAL 49 -12.427 -6.867 4.658 296 H LEU 50 H LEU 50 -8.071 -5.761 1.209 297 HA LEU 50 HA LEU 50 -8.488 -3.362 -0.421 298 HB3 LEU 50 HB3 LEU 50 -7.030 -2.475 1.203 299 HG LEU 50 HG LEU 50 -6.061 -4.399 2.350 300 HD11 LEU 50 HD11 LEU 50 -5.548 -5.986 0.583 301 HD12 LEU 50 HD12 LEU 50 -4.070 -5.576 1.421 302 HD13 LEU 50 HD13 LEU 50 -4.412 -4.846 -0.175 303 HD21 LEU 50 HD21 LEU 50 -3.779 -3.473 2.564 304 HD22 LEU 50 HD22 LEU 50 -5.005 -2.205 2.511 305 HD23 LEU 50 HD23 LEU 50 -4.027 -2.527 1.071 306 H SER 51 H SER 51 -6.291 -3.582 -2.136 307 HA SER 51 HA SER 51 -5.658 -6.403 -2.538 308 HB3 SER 51 HB3 SER 51 -7.657 -6.082 -4.017 309 HG SER 51 HG SER 51 -6.894 -4.847 -6.020 310 H SER 52 H SER 52 -4.151 -6.349 -4.736 311 HA SER 52 HA SER 52 -1.813 -4.815 -4.258 312 HB3 SER 52 HB3 SER 52 -1.683 -6.915 -5.391 313 HG SER 52 HG SER 52 -3.297 -6.045 -7.506 314 H SER 53 H SER 53 -4.859 -3.711 -5.571 315 HA SER 53 HA SER 53 -3.794 -1.709 -7.374 316 HB3 SER 53 HB3 SER 53 -5.928 -0.567 -6.894 317 HG SER 53 HG SER 53 -7.232 -2.088 -7.750 318 H ASN 54 H ASN 54 -4.541 -1.862 -3.899 319 HA ASN 54 HA ASN 54 -4.041 0.834 -3.277 320 HB3 ASN 54 HB3 ASN 54 -3.906 0.036 -0.920 321 HD21 ASN 54 HD22 ASN 54 -5.862 0.937 -0.491 322 HD22 ASN 54 HD21 ASN 54 -7.395 0.320 -1.102 323 H VAL 55 H VAL 55 -1.905 -2.021 -3.055 324 HA VAL 55 HA VAL 55 0.249 -0.381 -1.949 325 HB VAL 55 HB VAL 55 -0.162 -2.426 -0.873 326 HG11 VAL 55 HG11 VAL 55 0.231 -4.648 -1.852 327 HG12 VAL 55 HG12 VAL 55 -1.188 -3.819 -2.490 328 HG13 VAL 55 HG13 VAL 55 0.314 -3.891 -3.454 329 HG21 VAL 55 HG21 VAL 55 2.200 -1.634 -1.051 330 HG22 VAL 55 HG22 VAL 55 2.034 -3.386 -0.817 331 HG23 VAL 55 HG23 VAL 55 2.422 -2.740 -2.424 332 H ARG 56 H ARG 56 2.073 0.287 -3.035 333 HA ARG 56 HA ARG 56 2.250 -0.450 -5.908 334 HB3 ARG 56 HB3 ARG 56 2.232 2.415 -4.878 335 HG3 ARG 56 HG3 ARG 56 3.069 2.077 -7.229 336 HD3 ARG 56 HD3 ARG 56 0.901 1.631 -8.813 337 HE ARG 56 HE ARG 56 1.992 -0.939 -8.097 338 HH11 ARG 56 HH11 ARG 56 2.558 1.978 -9.994 339 HH12 ARG 56 HH12 ARG 56 3.814 1.268 -10.942 340 HH21 ARG 56 HH22 ARG 56 3.816 -1.757 -9.097 341 HH22 ARG 56 HH21 ARG 56 4.709 -0.847 -10.276 342 H VAL 57 H VAL 57 4.262 -1.257 -6.197 343 HA VAL 57 HA VAL 57 6.584 -0.337 -4.741 344 HB VAL 57 HB VAL 57 6.299 -2.030 -7.253 345 HG11 VAL 57 HG11 VAL 57 8.570 -1.085 -7.120 346 HG12 VAL 57 HG12 VAL 57 8.716 -1.637 -5.443 347 HG13 VAL 57 HG13 VAL 57 8.594 -2.807 -6.753 348 HG21 VAL 57 HG21 VAL 57 5.226 -3.085 -5.262 349 HG22 VAL 57 HG22 VAL 57 6.706 -3.943 -5.714 350 HG23 VAL 57 HG23 VAL 57 6.723 -2.825 -4.345 351 H ILE 58 H ILE 58 6.817 1.866 -5.031 352 HA ILE 58 HA ILE 58 6.963 3.109 -7.639 353 HB ILE 58 HB ILE 58 8.326 4.069 -5.098 354 HG13 ILE 58 HG13 ILE 58 6.286 5.333 -4.539 355 HG21 ILE 58 HG21 ILE 58 8.919 5.392 -7.027 356 HG22 ILE 58 HG22 ILE 58 7.237 5.484 -7.574 357 HG23 ILE 58 HG23 ILE 58 7.748 6.336 -6.110 358 HD11 ILE 58 HD11 ILE 58 4.915 3.610 -6.649 359 HD12 ILE 58 HD12 ILE 58 4.070 4.462 -5.354 360 HD13 ILE 58 HD13 ILE 58 4.976 5.386 -6.555 361 H LYS 59 H LYS 59 8.778 3.566 -8.917 362 HA LYS 59 HA LYS 59 11.222 1.981 -8.235 363 HB3 LYS 59 HB3 LYS 59 11.578 1.772 -10.704 364 HG3 LYS 59 HG3 LYS 59 8.876 0.699 -9.765 365 HD3 LYS 59 HD3 LYS 59 9.655 -1.240 -11.241 366 HE3 LYS 59 HE3 LYS 59 9.021 1.474 -12.466 367 HZ1 LYS 59 HZ1 LYS 59 9.428 -1.080 -13.851 368 HZ2 LYS 59 HZ2 LYS 59 9.993 0.425 -14.173 369 HZ3 LYS 59 HZ3 LYS 59 8.437 0.116 -14.469 370 H ASP 60 H ASP 60 13.213 2.660 -9.366 371 HA ASP 60 HA ASP 60 13.682 5.549 -8.974 372 HB3 ASP 60 HB3 ASP 60 15.406 3.139 -9.574 373 H LYS 61 H LYS 61 14.979 6.652 -10.629 374 HA LYS 61 HA LYS 61 13.888 6.346 -13.377 375 HB3 LYS 61 HB3 LYS 61 15.436 8.487 -11.901 376 HG3 LYS 61 HG3 LYS 61 16.316 8.469 -14.222 377 HD3 LYS 61 HD3 LYS 61 13.673 9.484 -15.220 378 HE3 LYS 61 HE3 LYS 61 16.013 9.378 -16.448 379 HZ1 LYS 61 HZ1 LYS 61 16.344 7.413 -17.682 380 HZ2 LYS 61 HZ2 LYS 61 14.941 6.753 -17.200 381 HZ3 LYS 61 HZ3 LYS 61 16.158 6.892 -16.111 382 H GLN 62 H GLN 62 16.964 6.065 -11.472 383 HA GLN 62 HA GLN 62 18.601 6.073 -13.856 384 HB3 GLN 62 HB3 GLN 62 20.439 5.697 -12.474 385 HG3 GLN 62 HG3 GLN 62 18.544 7.113 -10.575 386 HE21 GLN 62 HE22 GLN 62 21.060 8.916 -12.148 387 HE22 GLN 62 HE21 GLN 62 22.165 8.936 -10.802 388 H THR 63 H THR 63 17.128 3.602 -11.786 389 HA THR 63 HA THR 63 17.953 1.459 -13.680 390 HB THR 63 HB THR 63 17.798 -0.005 -11.790 391 HG1 THR 63 HG1 THR 63 17.315 1.399 -9.697 392 HG21 THR 63 HG21 THR 63 19.498 0.886 -10.295 393 HG22 THR 63 HG22 THR 63 19.184 2.546 -10.813 394 HG23 THR 63 HG23 THR 63 19.879 1.372 -11.951 395 H GLN 64 H GLN 64 16.065 -0.427 -12.912 396 HA GLN 64 HA GLN 64 13.381 0.762 -13.342 397 HB3 GLN 64 HB3 GLN 64 12.821 -1.211 -14.763 398 HG3 GLN 64 HG3 GLN 64 14.348 -0.677 -16.754 399 HE21 GLN 64 HE22 GLN 64 13.945 2.461 -15.173 400 HE22 GLN 64 HE21 GLN 64 12.512 2.931 -16.058 401 H LEU 65 H LEU 65 14.663 0.310 -10.886 402 HA LEU 65 HA LEU 65 13.648 -2.304 -9.840 403 HB3 LEU 65 HB3 LEU 65 15.437 -2.033 -8.113 404 HG LEU 65 HG LEU 65 16.413 -2.080 -10.986 405 HD11 LEU 65 HD11 LEU 65 18.609 -2.655 -10.099 406 HD12 LEU 65 HD12 LEU 65 18.022 -2.408 -8.440 407 HD13 LEU 65 HD13 LEU 65 18.093 -1.035 -9.554 408 HD21 LEU 65 HD21 LEU 65 15.145 -4.080 -10.268 409 HD22 LEU 65 HD22 LEU 65 16.186 -4.246 -8.846 410 HD23 LEU 65 HD23 LEU 65 16.857 -4.465 -10.462 411 H ASN 66 H ASN 66 13.266 -2.042 -7.298 412 HA ASN 66 HA ASN 66 11.358 0.076 -6.860 413 HB3 ASN 66 HB3 ASN 66 12.570 -2.399 -5.738 414 HD21 ASN 66 HD22 ASN 66 13.065 -2.992 -3.822 415 HD22 ASN 66 HD21 ASN 66 12.739 -1.961 -2.496 416 H ARG 67 H ARG 67 11.692 1.562 -5.271 417 HA ARG 67 HA ARG 67 14.483 2.425 -5.082 418 HB3 ARG 67 HB3 ARG 67 13.209 4.463 -3.776 419 HG3 ARG 67 HG3 ARG 67 13.059 3.979 -6.749 420 HD3 ARG 67 HD3 ARG 67 11.732 5.956 -6.182 421 HE ARG 67 HE ARG 67 13.724 6.458 -4.184 422 HH11 ARG 67 HH11 ARG 67 11.843 8.367 -6.505 423 HH12 ARG 67 HH12 ARG 67 11.620 9.700 -5.441 424 HH21 ARG 67 HH22 ARG 67 13.320 8.128 -2.718 425 HH22 ARG 67 HH21 ARG 67 12.581 9.611 -3.222 426 H GLY 68 H GLY 68 12.783 0.432 -3.126 427 HA2 GLY 68 HA2 GLY 68 13.762 -0.456 -1.139 428 HA3 GLY 68 HA3 GLY 68 14.462 1.115 -0.753 429 H PHE 69 H PHE 69 11.306 1.618 -1.932 430 HA PHE 69 HA PHE 69 10.000 1.406 0.665 431 HB3 PHE 69 HB3 PHE 69 11.251 3.708 0.318 432 HD1 PHE 69 HD2 PHE 69 7.706 4.391 -0.313 433 HD2 PHE 69 HD1 PHE 69 11.658 4.600 -1.993 434 HE1 PHE 69 HE2 PHE 69 6.835 5.814 -2.131 435 HE2 PHE 69 HE1 PHE 69 10.771 6.006 -3.856 436 HZ PHE 69 HZ PHE 69 8.356 6.593 -3.933 437 H ALA 70 H ALA 70 7.609 1.828 0.329 438 HA ALA 70 HA ALA 70 6.641 1.918 -2.437 439 HB1 ALA 70 HB1 ALA 70 6.532 -0.422 -2.386 440 HB2 ALA 70 HB2 ALA 70 6.195 -0.499 -0.657 441 HB3 ALA 70 HB3 ALA 70 4.945 0.005 -1.804 442 H PHE 71 H PHE 71 4.082 1.937 -2.238 443 HA PHE 71 HA PHE 71 3.285 3.748 0.005 444 HB3 PHE 71 HB3 PHE 71 1.659 4.389 -2.099 445 HD1 PHE 71 HD1 PHE 71 2.239 5.860 0.176 446 HD2 PHE 71 HD2 PHE 71 4.373 5.850 -3.562 447 HE1 PHE 71 HE1 PHE 71 3.069 8.124 0.642 448 HE2 PHE 71 HE2 PHE 71 5.248 8.124 -3.071 449 HZ PHE 71 HZ PHE 71 4.596 9.271 -0.974 450 H ILE 72 H ILE 72 1.054 3.480 0.719 451 HA ILE 72 HA ILE 72 -0.551 1.513 -0.699 452 HB ILE 72 HB ILE 72 -0.601 1.410 2.287 453 HG13 ILE 72 HG13 ILE 72 1.682 0.713 1.617 454 HG21 ILE 72 HG21 ILE 72 -2.555 0.592 0.950 455 HG22 ILE 72 HG22 ILE 72 -1.489 -0.571 0.134 456 HG23 ILE 72 HG23 ILE 72 -1.819 -0.704 1.870 457 HD11 ILE 72 HD11 ILE 72 0.013 -1.603 2.648 458 HD12 ILE 72 HD12 ILE 72 1.751 -1.396 2.817 459 HD13 ILE 72 HD13 ILE 72 0.659 -0.267 3.620 460 H GLN 73 H GLN 73 -2.351 2.579 -1.253 461 HA GLN 73 HA GLN 73 -3.461 4.901 0.118 462 HB3 GLN 73 HB3 GLN 73 -5.521 3.918 -1.363 463 HG3 GLN 73 HG3 GLN 73 -4.101 4.960 -3.435 464 HE21 GLN 73 HE22 GLN 73 -3.745 7.797 -1.883 465 HE22 GLN 73 HE21 GLN 73 -5.430 8.249 -1.656 466 H LEU 74 H LEU 74 -4.635 4.862 1.866 467 HA LEU 74 HA LEU 74 -5.750 2.341 2.931 468 HB3 LEU 74 HB3 LEU 74 -4.324 3.883 5.014 469 HG LEU 74 HG LEU 74 -3.463 1.739 5.670 470 HD11 LEU 74 HD11 LEU 74 -5.514 0.420 6.014 471 HD12 LEU 74 HD12 LEU 74 -6.379 1.405 4.845 472 HD13 LEU 74 HD13 LEU 74 -5.716 2.142 6.331 473 HD21 LEU 74 HD21 LEU 74 -3.809 -0.343 4.421 474 HD22 LEU 74 HD22 LEU 74 -2.841 0.823 3.502 475 HD23 LEU 74 HD23 LEU 74 -4.540 0.546 3.081 476 H SER 75 H SER 75 -6.335 3.869 5.632 477 HA SER 75 HA SER 75 -8.123 5.918 4.659 478 HB3 SER 75 HB3 SER 75 -9.425 3.679 6.212 479 HG SER 75 HG SER 75 -11.247 4.617 5.478 480 H THR 76 H THR 76 -9.432 6.713 6.687 481 HA THR 76 HA THR 76 -7.545 8.179 7.860 482 HB THR 76 HB THR 76 -10.235 7.956 9.187 483 HG1 THR 76 HG1 THR 76 -11.285 8.338 7.468 484 HG21 THR 76 HG21 THR 76 -10.081 10.385 9.137 485 HG22 THR 76 HG22 THR 76 -8.637 10.308 8.093 486 HG23 THR 76 HG23 THR 76 -8.561 9.749 9.778 487 H ILE 77 H ILE 77 -9.629 6.149 10.037 488 HA ILE 77 HA ILE 77 -7.581 6.104 12.099 489 HB ILE 77 HB ILE 77 -10.268 4.775 11.682 490 HG13 ILE 77 HG13 ILE 77 -10.022 7.177 12.344 491 HG21 ILE 77 HG21 ILE 77 -8.980 3.036 12.843 492 HG22 ILE 77 HG22 ILE 77 -8.398 4.234 14.025 493 HG23 ILE 77 HG23 ILE 77 -10.118 3.788 13.945 494 HD11 ILE 77 HD11 ILE 77 -11.017 5.697 14.790 495 HD12 ILE 77 HD12 ILE 77 -11.523 7.272 14.153 496 HD13 ILE 77 HD13 ILE 77 -11.960 5.787 13.284 497 H GLU 78 H GLU 78 -8.481 4.005 9.473 498 HA GLU 78 HA GLU 78 -7.350 1.575 10.301 499 HB3 GLU 78 HB3 GLU 78 -7.053 1.071 7.850 500 HG3 GLU 78 HG3 GLU 78 -9.492 1.614 7.236 501 H ALA 79 H ALA 79 -5.732 4.344 8.779 502 HA ALA 79 HA ALA 79 -3.267 2.919 8.274 503 HB1 ALA 79 HB1 ALA 79 -3.998 4.935 6.978 504 HB2 ALA 79 HB2 ALA 79 -3.797 5.932 8.434 505 HB3 ALA 79 HB3 ALA 79 -2.393 5.130 7.695 506 H ALA 80 H ALA 80 -4.622 4.786 10.968 507 HA ALA 80 HA ALA 80 -2.064 5.052 12.263 508 HB1 ALA 80 HB1 ALA 80 -3.383 5.872 14.221 509 HB2 ALA 80 HB2 ALA 80 -3.762 6.738 12.724 510 HB3 ALA 80 HB3 ALA 80 -4.882 5.499 13.346 511 H GLN 81 H GLN 81 -5.025 3.089 12.778 512 HA GLN 81 HA GLN 81 -3.933 1.664 14.983 513 HB3 GLN 81 HB3 GLN 81 -6.306 2.024 14.413 514 HG3 GLN 81 HG3 GLN 81 -6.065 -0.502 12.791 515 HE21 GLN 81 HE22 GLN 81 -8.487 -0.263 11.318 516 HE22 GLN 81 HE21 GLN 81 -9.768 -0.300 12.517 517 H LEU 82 H LEU 82 -3.878 0.937 11.478 518 HA LEU 82 HA LEU 82 -2.796 -1.688 11.715 519 HB3 LEU 82 HB3 LEU 82 -1.724 -1.048 9.453 520 HG LEU 82 HG LEU 82 -4.747 -0.934 9.706 521 HD11 LEU 82 HD11 LEU 82 -2.938 -1.338 7.293 522 HD12 LEU 82 HD12 LEU 82 -3.899 0.116 7.638 523 HD13 LEU 82 HD13 LEU 82 -4.715 -1.423 7.288 524 HD21 LEU 82 HD21 LEU 82 -2.823 -3.202 9.060 525 HD22 LEU 82 HD22 LEU 82 -4.585 -3.277 8.845 526 HD23 LEU 82 HD23 LEU 82 -3.912 -3.090 10.462 527 H LEU 83 H LEU 83 -1.151 1.535 11.505 528 HA LEU 83 HA LEU 83 1.451 0.580 11.414 529 HB3 LEU 83 HB3 LEU 83 0.418 3.017 12.915 530 HG LEU 83 HG LEU 83 2.852 2.492 13.408 531 HD11 LEU 83 HD11 LEU 83 3.119 2.943 10.410 532 HD12 LEU 83 HD12 LEU 83 3.455 1.429 11.256 533 HD13 LEU 83 HD13 LEU 83 4.471 2.841 11.568 534 HD21 LEU 83 HD21 LEU 83 3.617 4.802 12.579 535 HD22 LEU 83 HD22 LEU 83 2.183 4.729 13.618 536 HD23 LEU 83 HD23 LEU 83 2.001 4.947 11.871 537 H GLN 84 H GLN 84 -0.636 0.955 14.263 538 HA GLN 84 HA GLN 84 1.424 0.361 16.186 539 HB3 GLN 84 HB3 GLN 84 -1.372 -0.288 16.982 540 HG3 GLN 84 HG3 GLN 84 0.794 1.671 17.865 541 HE21 GLN 84 HE22 GLN 84 -0.905 3.425 17.505 542 HE22 GLN 84 HE21 GLN 84 -1.864 3.797 18.915 543 H ILE 85 H ILE 85 -1.096 -1.595 14.577 544 HA ILE 85 HA ILE 85 -0.596 -4.074 15.847 545 HB ILE 85 HB ILE 85 -1.740 -3.396 13.118 546 HG13 ILE 85 HG13 ILE 85 -2.891 -2.551 15.346 547 HG21 ILE 85 HG21 ILE 85 -2.830 -5.656 13.220 548 HG22 ILE 85 HG22 ILE 85 -1.070 -5.768 13.167 549 HG23 ILE 85 HG23 ILE 85 -1.927 -5.999 14.701 550 HD11 ILE 85 HD11 ILE 85 -4.177 -2.785 13.209 551 HD12 ILE 85 HD12 ILE 85 -4.617 -4.435 13.714 552 HD13 ILE 85 HD13 ILE 85 -5.123 -3.046 14.686 553 H LEU 86 H LEU 86 0.840 -2.579 12.955 554 HA LEU 86 HA LEU 86 2.258 -4.832 11.976 555 HB3 LEU 86 HB3 LEU 86 3.812 -2.793 11.132 556 HG LEU 86 HG LEU 86 2.469 -4.259 9.652 557 HD11 LEU 86 HD11 LEU 86 0.253 -3.493 8.892 558 HD12 LEU 86 HD12 LEU 86 0.293 -2.156 10.025 559 HD13 LEU 86 HD13 LEU 86 0.191 -3.824 10.628 560 HD21 LEU 86 HD21 LEU 86 2.268 -2.548 7.877 561 HD22 LEU 86 HD22 LEU 86 3.746 -2.306 8.819 562 HD23 LEU 86 HD23 LEU 86 2.335 -1.262 9.114 563 H GLN 87 H GLN 87 2.992 -2.807 14.719 564 HA GLN 87 HA GLN 87 5.843 -3.056 14.735 565 HB3 GLN 87 HB3 GLN 87 5.591 -2.504 17.162 566 HG3 GLN 87 HG3 GLN 87 4.157 -0.359 16.721 567 HE21 GLN 87 HE22 GLN 87 5.567 0.862 14.163 568 HE22 GLN 87 HE21 GLN 87 7.157 1.147 14.802 569 H ALA 88 H ALA 88 3.319 -5.377 15.380 570 HA ALA 88 HA ALA 88 5.152 -7.135 16.945 571 HB1 ALA 88 HB1 ALA 88 3.330 -7.609 18.380 572 HB2 ALA 88 HB2 ALA 88 3.300 -5.852 18.178 573 HB3 ALA 88 HB3 ALA 88 2.165 -6.888 17.268 574 H LEU 89 H LEU 89 4.372 -7.142 13.926 575 HA LEU 89 HA LEU 89 4.065 -10.026 13.862 576 HB3 LEU 89 HB3 LEU 89 1.740 -9.194 13.660 577 HG LEU 89 HG LEU 89 2.429 -7.105 12.129 578 HD11 LEU 89 HD11 LEU 89 1.890 -9.269 10.058 579 HD12 LEU 89 HD12 LEU 89 3.371 -8.291 10.202 580 HD13 LEU 89 HD13 LEU 89 1.860 -7.514 9.754 581 HD21 LEU 89 HD21 LEU 89 0.106 -7.090 11.270 582 HD22 LEU 89 HD22 LEU 89 0.211 -7.581 12.970 583 HD23 LEU 89 HD23 LEU 89 -0.041 -8.814 11.707 584 H HIS 90 H HIS 90 4.798 -10.872 11.769 585 HA HIS 90 HA HIS 90 6.090 -8.937 9.931 586 HB3 HIS 90 HB3 HIS 90 7.935 -10.745 9.733 587 HD1 HIS 90 HD1 HIS 90 7.358 -8.788 13.141 588 HD2 HIS 90 HD2 HIS 90 10.155 -9.580 10.071 589 HE1 HIS 90 HE1 HIS 90 9.404 -7.465 13.690 590 HA PRO 91 HA PRO 91 4.026 -11.712 7.038 591 HB3 PRO 91 HB3 PRO 91 4.186 -10.119 5.372 592 HG3 PRO 91 HG3 PRO 91 6.005 -8.569 5.384 593 HD3 PRO 91 HD3 PRO 91 5.265 -8.525 7.626 594 HA PRO 92 HA PRO 92 6.482 -15.350 6.644 595 HB3 PRO 92 HB3 PRO 92 4.427 -16.317 6.145 596 HG3 PRO 92 HG3 PRO 92 2.944 -15.387 4.537 597 HD3 PRO 92 HD3 PRO 92 3.319 -13.674 6.089 598 H LEU 93 H LEU 93 6.649 -13.145 4.043 599 HA LEU 93 HA LEU 93 8.370 -14.659 2.237 600 HB3 LEU 93 HB3 LEU 93 6.597 -12.716 1.826 601 HG LEU 93 HG LEU 93 7.548 -10.761 1.023 602 HD11 LEU 93 HD11 LEU 93 8.186 -11.060 3.971 603 HD12 LEU 93 HD12 LEU 93 6.766 -10.362 3.210 604 HD13 LEU 93 HD13 LEU 93 8.323 -9.529 3.123 605 HD21 LEU 93 HD21 LEU 93 9.865 -11.817 0.680 606 HD22 LEU 93 HD22 LEU 93 10.222 -11.057 2.259 607 HD23 LEU 93 HD23 LEU 93 9.694 -10.058 0.902 608 H THR 94 H THR 94 10.679 -14.154 1.858 609 HA THR 94 HA THR 94 11.840 -12.032 3.430 610 HB THR 94 HB THR 94 13.209 -14.639 3.746 611 HG1 THR 94 HG1 THR 94 11.002 -13.739 5.118 612 HG21 THR 94 HG21 THR 94 14.436 -12.548 4.135 613 HG22 THR 94 HG22 THR 94 14.410 -13.647 5.530 614 HG23 THR 94 HG23 THR 94 13.362 -12.212 5.510 615 H ILE 95 H ILE 95 12.065 -11.248 1.417 616 HA ILE 95 HA ILE 95 13.372 -12.675 -0.783 617 HB ILE 95 HB ILE 95 11.573 -11.060 -1.229 618 HG13 ILE 95 HG13 ILE 95 12.340 -10.286 -3.214 619 HG21 ILE 95 HG21 ILE 95 11.995 -9.416 0.498 620 HG22 ILE 95 HG22 ILE 95 13.488 -8.926 -0.314 621 HG23 ILE 95 HG23 ILE 95 11.912 -8.655 -1.095 622 HD11 ILE 95 HD11 ILE 95 13.888 -8.555 -2.750 623 HD12 ILE 95 HD12 ILE 95 15.045 -9.681 -2.017 624 HD13 ILE 95 HD13 ILE 95 14.724 -9.743 -3.764 625 H ASP 96 H ASP 96 15.469 -12.596 -1.153 626 HA ASP 96 HA ASP 96 17.708 -12.606 -0.608 627 HB3 ASP 96 HB3 ASP 96 18.676 -10.352 -0.951 628 H GLY 97 H GLY 97 16.140 -12.805 1.808 629 HA2 GLY 97 HA2 GLY 97 16.736 -13.138 4.001 630 HA3 GLY 97 HA3 GLY 97 18.243 -12.257 3.748 631 H LYS 98 H LYS 98 15.570 -10.370 2.711 632 HA LYS 98 HA LYS 98 16.039 -8.514 4.968 633 HB3 LYS 98 HB3 LYS 98 14.493 -7.072 3.426 634 HG3 LYS 98 HG3 LYS 98 16.453 -7.244 1.593 635 HD3 LYS 98 HD3 LYS 98 16.595 -5.938 4.314 636 HE3 LYS 98 HE3 LYS 98 17.831 -4.183 2.761 637 HZ1 LYS 98 HZ1 LYS 98 19.308 -6.582 3.699 638 HZ2 LYS 98 HZ2 LYS 98 18.852 -5.338 4.659 639 HZ3 LYS 98 HZ3 LYS 98 19.925 -5.084 3.442 640 H THR 99 H THR 99 14.350 -7.394 5.907 641 HA THR 99 HA THR 99 11.652 -8.613 5.827 642 HB THR 99 HB THR 99 11.620 -8.347 8.363 643 HG1 THR 99 HG1 THR 99 13.638 -8.629 9.344 644 HG21 THR 99 HG21 THR 99 12.477 -10.603 8.710 645 HG22 THR 99 HG22 THR 99 13.476 -10.505 7.247 646 HG23 THR 99 HG23 THR 99 11.711 -10.553 7.114 647 H ILE 100 H ILE 100 10.011 -7.227 6.187 648 HA ILE 100 HA ILE 100 10.482 -4.562 5.180 649 HB ILE 100 HB ILE 100 7.886 -5.569 6.388 650 HG13 ILE 100 HG13 ILE 100 7.250 -6.600 4.244 651 HG21 ILE 100 HG21 ILE 100 6.903 -4.252 4.505 652 HG22 ILE 100 HG22 ILE 100 7.852 -3.275 5.626 653 HG23 ILE 100 HG23 ILE 100 8.544 -3.719 4.058 654 HD11 ILE 100 HD11 ILE 100 9.196 -7.443 2.777 655 HD12 ILE 100 HD12 ILE 100 8.638 -5.794 2.530 656 HD13 ILE 100 HD13 ILE 100 10.152 -6.115 3.422 657 H ASN 101 H ASN 101 10.132 -2.577 6.301 658 HA ASN 101 HA ASN 101 10.625 -2.673 9.234 659 HB3 ASN 101 HB3 ASN 101 10.469 0.037 8.361 660 HD21 ASN 101 HD22 ASN 101 11.912 0.886 9.852 661 HD22 ASN 101 HD21 ASN 101 13.351 0.049 10.376 662 H VAL 102 H VAL 102 9.343 -0.501 10.266 663 HA VAL 102 HA VAL 102 6.506 -0.670 9.433 664 HB VAL 102 HB VAL 102 7.536 -0.615 12.304 665 HG11 VAL 102 HG11 VAL 102 4.739 -0.663 11.091 666 HG12 VAL 102 HG12 VAL 102 5.074 -0.992 12.800 667 HG13 VAL 102 HG13 VAL 102 5.457 0.596 12.116 668 HG21 VAL 102 HG21 VAL 102 6.200 -2.870 10.740 669 HG22 VAL 102 HG22 VAL 102 7.857 -2.870 11.385 670 HG23 VAL 102 HG23 VAL 102 6.499 -2.863 12.496 671 H GLU 103 H GLU 103 5.738 1.332 8.955 672 HA GLU 103 HA GLU 103 6.554 3.768 10.203 673 HB3 GLU 103 HB3 GLU 103 7.512 2.956 7.397 674 HG3 GLU 103 HG3 GLU 103 6.740 5.312 7.212 675 H PHE 104 H PHE 104 5.141 5.648 9.042 676 HA PHE 104 HA PHE 104 3.433 4.720 6.939 677 HB3 PHE 104 HB3 PHE 104 2.049 4.298 8.915 678 HD1 PHE 104 HD2 PHE 104 3.850 6.999 10.041 679 HD2 PHE 104 HD1 PHE 104 -0.253 5.729 9.589 680 HE1 PHE 104 HE2 PHE 104 3.193 8.466 11.889 681 HE2 PHE 104 HE1 PHE 104 -0.919 7.277 11.404 682 HZ PHE 104 HZ PHE 104 0.803 8.663 12.562 683 H ALA 105 H ALA 105 2.155 6.769 6.072 684 HA ALA 105 HA ALA 105 3.893 9.172 6.206 685 HB1 ALA 105 HB1 ALA 105 4.570 7.947 4.260 686 HB2 ALA 105 HB2 ALA 105 2.872 7.758 3.709 687 HB3 ALA 105 HB3 ALA 105 3.639 9.362 3.750 688 H LYS 106 H LYS 106 1.813 9.212 7.795 689 HA LYS 106 HA LYS 106 -0.667 10.045 6.619 690 HB3 LYS 106 HB3 LYS 106 0.107 10.889 9.368 691 HG3 LYS 106 HG3 LYS 106 -2.242 9.320 8.280 692 HD3 LYS 106 HD3 LYS 106 -1.936 11.292 10.540 693 HE3 LYS 106 HE3 LYS 106 -4.284 9.445 9.871 694 HZ1 LYS 106 HZ1 LYS 106 -4.096 11.726 11.755 695 HZ2 LYS 106 HZ2 LYS 106 -4.181 10.129 12.195 696 HZ3 LYS 106 HZ3 LYS 106 -5.434 10.841 11.466 697 H GLY 107 H GLY 107 -0.448 11.705 5.180 698 HA2 GLY 107 HA2 GLY 107 -0.961 14.140 5.239 699 HA3 GLY 107 HA3 GLY 107 0.469 14.357 6.246 700 H SER 108 H SER 108 -0.464 15.178 3.339 701 HA SER 108 HA SER 108 2.185 15.079 2.182 702 HB3 SER 108 HB3 SER 108 1.684 13.212 0.980 703 HG SER 108 HG SER 108 -0.089 12.429 1.780 704 H LYS 109 H LYS 109 2.395 16.677 0.537 705 HA LYS 109 HA LYS 109 0.850 19.013 0.941 706 HB3 LYS 109 HB3 LYS 109 2.008 19.699 -1.332 707 HG3 LYS 109 HG3 LYS 109 3.659 18.928 1.105 708 HD3 LYS 109 HD3 LYS 109 4.243 20.677 -1.314 709 HE3 LYS 109 HE3 LYS 109 5.478 20.752 1.462 710 HZ1 LYS 109 HZ1 LYS 109 6.927 22.381 0.610 711 HZ2 LYS 109 HZ2 LYS 109 6.358 22.246 -0.927 712 HZ3 LYS 109 HZ3 LYS 109 7.179 20.984 -0.218 713 H ARG 110 H ARG 110 -0.273 20.244 -0.614 714 HA ARG 110 HA ARG 110 -1.589 18.967 -2.894 715 HB3 ARG 110 HB3 ARG 110 -3.601 20.482 -2.241 716 HG3 ARG 110 HG3 ARG 110 -3.308 17.828 -1.926 717 HD3 ARG 110 HD3 ARG 110 -4.247 18.822 0.802 718 HE ARG 110 HE ARG 110 -3.790 16.002 0.242 719 HH11 ARG 110 HH11 ARG 110 -6.374 18.555 0.259 720 HH12 ARG 110 HH12 ARG 110 -7.625 17.406 0.355 721 HH21 ARG 110 HH22 ARG 110 -5.566 14.531 0.042 722 HH22 ARG 110 HH21 ARG 110 -7.188 15.114 0.069 723 H ASP 111 H ASP 111 -1.915 20.656 -4.579 724 HA ASP 111 HA ASP 111 -1.384 23.420 -4.030 725 HB3 ASP 111 HB3 ASP 111 0.769 22.129 -5.767 726 H MET 112 H MET 112 -3.284 23.916 -5.292 727 HA MET 112 HA MET 112 -3.072 24.151 -8.031 728 HB3 MET 112 HB3 MET 112 -5.290 22.317 -8.033 729 HG3 MET 112 HG3 MET 112 -2.607 22.541 -9.300 730 HE1 MET 112 HE1 MET 112 -1.109 19.458 -10.368 731 HE2 MET 112 HE2 MET 112 -1.380 21.176 -10.756 732 HE3 MET 112 HE3 MET 112 -0.895 20.706 -9.117 733 H ALA 113 H ALA 113 -5.579 24.471 -8.866 734 HA ALA 113 HA ALA 113 -7.122 25.826 -6.723 735 HB1 ALA 113 HB1 ALA 113 -6.467 26.935 -9.480 736 HB2 ALA 113 HB2 ALA 113 -7.634 27.643 -8.344 737 HB3 ALA 113 HB3 ALA 113 -5.914 27.563 -7.919 738 H SER 114 H SER 114 -9.394 26.417 -7.776 739 HA SER 114 HA SER 114 -10.374 24.608 -9.788 740 HB3 SER 114 HB3 SER 114 -11.423 24.389 -6.930 741 HG SER 114 HG SER 114 -13.108 23.957 -8.180 742 H ASN 115 H ASN 115 -12.291 25.387 -10.645 743 HA ASN 115 HA ASN 115 -13.351 28.027 -9.765 744 HB3 ASN 115 HB3 ASN 115 -13.013 28.722 -12.227 745 HD21 ASN 115 HD22 ASN 115 -12.058 30.663 -11.904 746 HD22 ASN 115 HD21 ASN 115 -10.490 30.883 -11.187 747 H GLU 116 H GLU 116 -14.833 25.693 -9.449 748 HA GLU 116 HA GLU 116 -16.763 25.780 -11.667 749 HB3 GLU 116 HB3 GLU 116 -15.257 24.050 -12.408 750 HG3 GLU 116 HG3 GLU 116 -15.664 22.787 -9.670 751 H GLY 117 H GLY 117 -18.725 24.357 -11.107 752 HA2 GLY 117 HA2 GLY 117 -19.999 23.136 -9.619 753 HA3 GLY 117 HA3 GLY 117 -18.852 23.471 -8.341 754 H SER 118 H SER 118 -20.312 26.201 -10.075 755 HA SER 118 HA SER 118 -21.434 27.397 -7.788 756 HB3 SER 118 HB3 SER 118 -22.269 29.029 -9.337 757 HG SER 118 HG SER 118 -20.446 28.987 -10.977 758 H ARG 119 H ARG 119 -23.066 26.058 -6.624 759 HA ARG 119 HA ARG 119 -25.613 26.072 -7.654 760 HB3 ARG 119 HB3 ARG 119 -24.457 23.982 -8.833 761 HG3 ARG 119 HG3 ARG 119 -24.007 22.972 -6.496 762 HD3 ARG 119 HD3 ARG 119 -26.928 22.968 -6.623 763 HE ARG 119 HE ARG 119 -27.070 20.785 -7.216 764 HH11 ARG 119 HH11 ARG 119 -24.581 21.043 -4.608 765 HH12 ARG 119 HH12 ARG 119 -24.840 19.417 -4.108 766 HH21 ARG 119 HH22 ARG 119 -27.290 18.615 -6.479 767 HH22 ARG 119 HH21 ARG 119 -26.183 17.988 -5.279 768 H ILE 120 H ILE 120 -26.546 26.383 -5.976 769 HA ILE 120 HA ILE 120 -25.823 25.751 -3.188 770 HB ILE 120 HB ILE 120 -26.620 27.993 -3.473 771 HG13 ILE 120 HG13 ILE 120 -27.460 26.362 -1.722 772 HG21 ILE 120 HG21 ILE 120 -29.069 26.906 -4.970 773 HG22 ILE 120 HG22 ILE 120 -28.872 28.573 -4.399 774 HG23 ILE 120 HG23 ILE 120 -27.791 27.949 -5.628 775 HD11 ILE 120 HD11 ILE 120 -29.085 28.916 -2.092 776 HD12 ILE 120 HD12 ILE 120 -28.881 28.028 -0.571 777 HD13 ILE 120 HD13 ILE 120 -27.478 28.828 -1.328 778 H SER 121 H SER 121 -27.119 24.162 -2.036 779 HA SER 121 HA SER 121 -29.428 22.964 -3.376 780 HB3 SER 121 HB3 SER 121 -27.650 21.615 -4.192 781 HG SER 121 HG SER 121 -26.236 22.186 -2.150 782 H ALA 122 H ALA 122 -30.627 21.593 -1.891 783 HA ALA 122 HA ALA 122 -30.393 22.200 0.987 784 HB1 ALA 122 HB1 ALA 122 -32.411 20.774 1.171 785 HB2 ALA 122 HB2 ALA 122 -32.679 22.055 -0.023 786 HB3 ALA 122 HB3 ALA 122 -32.327 20.392 -0.562 787 H ALA 123 H ALA 123 -30.538 20.008 2.313 788 HA ALA 123 HA ALA 123 -28.668 17.978 1.160 789 HB1 ALA 123 HB1 ALA 123 -27.507 18.007 3.367 790 HB2 ALA 123 HB2 ALA 123 -27.360 19.517 2.453 791 HB3 ALA 123 HB3 ALA 123 -28.458 19.426 3.840 792 H SER 124 H SER 124 -29.921 18.191 4.485 793 HA SER 124 HA SER 124 -31.607 15.802 3.985 794 HB3 SER 124 HB3 SER 124 -30.567 17.099 6.547 795 HG SER 124 HG SER 124 -32.167 14.793 6.061 796 H VAL 125 H VAL 125 -33.767 15.813 4.639 797 HA VAL 125 HA VAL 125 -35.018 18.294 5.523 798 HB VAL 125 HB VAL 125 -35.912 16.765 3.037 799 HG11 VAL 125 HG11 VAL 125 -37.735 18.466 2.914 800 HG12 VAL 125 HG12 VAL 125 -37.851 17.525 4.403 801 HG13 VAL 125 HG13 VAL 125 -37.183 19.174 4.448 802 HG21 VAL 125 HG21 VAL 125 -35.649 18.948 1.852 803 HG22 VAL 125 HG22 VAL 125 -34.888 19.623 3.311 804 HG23 VAL 125 HG23 VAL 125 -34.119 18.289 2.421 805 H ALA 126 H ALA 126 -36.177 17.618 7.277 806 HA ALA 126 HA ALA 126 -37.488 14.993 7.281 807 HB1 ALA 126 HB1 ALA 126 -35.990 16.210 9.655 808 HB2 ALA 126 HB2 ALA 126 -37.006 14.754 9.694 809 HB3 ALA 126 HB3 ALA 126 -35.495 14.749 8.777 810 H SER 127 H SER 127 -39.558 15.178 8.295 811 HA SER 127 HA SER 127 -40.281 17.795 9.505 812 HB3 SER 127 HB3 SER 127 -42.164 18.164 8.035 813 HG SER 127 HG SER 127 -39.693 18.458 7.374 814 H THR 128 H THR 128 -39.983 15.001 10.549 815 HA THR 128 HA THR 128 -42.598 14.923 11.844 816 HB THR 128 HB THR 128 -42.725 13.355 9.899 817 HG1 THR 128 HG1 THR 128 -43.364 11.558 11.264 818 HG21 THR 128 HG21 THR 128 -40.695 11.685 11.434 819 HG22 THR 128 HG22 THR 128 -40.355 12.532 9.918 820 HG23 THR 128 HG23 THR 128 -41.546 11.225 9.946 821 H ALA 129 H ALA 129 -42.397 13.191 13.644 822 HA ALA 129 HA ALA 129 -40.139 14.033 15.326 823 HB1 ALA 129 HB1 ALA 129 -42.481 14.006 16.199 824 HB2 ALA 129 HB2 ALA 129 -42.540 12.244 15.937 825 HB3 ALA 129 HB3 ALA 129 -41.422 12.936 17.129 826 H ILE 130 H ILE 130 -39.540 12.033 16.907 827 HA ILE 130 HA ILE 130 -38.836 9.655 15.299 828 HB ILE 130 HB ILE 130 -37.003 9.244 16.851 829 HG13 ILE 130 HG13 ILE 130 -37.955 10.728 18.751 830 HG21 ILE 130 HG21 ILE 130 -35.409 10.791 15.874 831 HG22 ILE 130 HG22 ILE 130 -36.630 10.375 14.669 832 HG23 ILE 130 HG23 ILE 130 -36.699 11.951 15.492 833 HD11 ILE 130 HD11 ILE 130 -35.762 11.156 19.711 834 HD12 ILE 130 HD12 ILE 130 -35.810 9.551 18.957 835 HD13 ILE 130 HD13 ILE 130 -34.980 10.894 18.142 836 H ALA 131 H ALA 131 -38.751 7.735 16.667 837 HA ALA 131 HA ALA 131 -39.708 7.780 19.326 838 HB1 ALA 131 HB1 ALA 131 -40.939 5.844 17.295 839 HB2 ALA 131 HB2 ALA 131 -41.084 5.737 19.059 840 HB3 ALA 131 HB3 ALA 131 -41.826 7.106 18.201 Start of MODEL 3 1 H1 GLN 1 H1 GLN 1 -6.789 1.805 50.233 2 HA GLN 1 HA GLN 1 -6.926 2.330 53.144 3 HB3 GLN 1 HB3 GLN 1 -8.957 0.555 52.802 4 HG3 GLN 1 HG3 GLN 1 -9.120 2.596 54.142 5 HE21 GLN 1 HE22 GLN 1 -10.808 4.761 53.782 6 HE22 GLN 1 HE21 GLN 1 -10.061 5.880 52.666 7 H ALA 2 H ALA 2 -7.580 -0.607 51.102 8 HA ALA 2 HA ALA 2 -5.277 -2.003 52.237 9 HB1 ALA 2 HB1 ALA 2 -7.195 -3.282 51.339 10 HB2 ALA 2 HB2 ALA 2 -7.008 -2.484 49.757 11 HB3 ALA 2 HB3 ALA 2 -5.745 -3.573 50.364 12 H GLN 3 H GLN 3 -3.452 -2.500 50.720 13 HA GLN 3 HA GLN 3 -2.915 -0.945 48.408 14 HB3 GLN 3 HB3 GLN 3 -0.799 -0.615 50.539 15 HG3 GLN 3 HG3 GLN 3 -0.629 1.691 49.570 16 HE21 GLN 3 HE22 GLN 3 1.472 0.517 49.274 17 HE22 GLN 3 HE21 GLN 3 1.695 -0.473 47.846 18 H GLY 4 H GLY 4 -0.625 -1.910 47.612 19 HA2 GLY 4 HA2 GLY 4 0.039 -4.517 48.800 20 HA3 GLY 4 HA3 GLY 4 -0.605 -4.498 47.145 21 H VAL 5 H VAL 5 1.435 -5.280 46.326 22 HA VAL 5 HA VAL 5 3.541 -3.205 46.152 23 HB VAL 5 HB VAL 5 3.941 -6.232 46.154 24 HG11 VAL 5 HG11 VAL 5 5.951 -3.934 46.002 25 HG12 VAL 5 HG12 VAL 5 6.357 -5.658 46.138 26 HG13 VAL 5 HG13 VAL 5 5.547 -5.063 44.689 27 HG21 VAL 5 HG21 VAL 5 4.678 -4.158 48.270 28 HG22 VAL 5 HG22 VAL 5 3.519 -5.490 48.453 29 HG23 VAL 5 HG23 VAL 5 5.234 -5.847 48.258 30 H LEU 6 H LEU 6 4.084 -2.750 44.014 31 HA LEU 6 HA LEU 6 2.980 -4.330 41.809 32 HB3 LEU 6 HB3 LEU 6 2.224 -2.186 40.724 33 HG LEU 6 HG LEU 6 0.776 -2.702 43.364 34 HD11 LEU 6 HD11 LEU 6 0.323 -0.446 42.515 35 HD12 LEU 6 HD12 LEU 6 -1.099 -1.479 42.346 36 HD13 LEU 6 HD13 LEU 6 -0.100 -1.106 40.920 37 HD21 LEU 6 HD21 LEU 6 0.152 -3.639 40.522 38 HD22 LEU 6 HD22 LEU 6 -0.865 -3.897 41.960 39 HD23 LEU 6 HD23 LEU 6 0.718 -4.664 41.860 40 H ALA 7 H ALA 7 4.332 -3.939 39.885 41 HA ALA 7 HA ALA 7 6.298 -1.850 39.924 42 HB1 ALA 7 HB1 ALA 7 8.251 -3.363 39.596 43 HB2 ALA 7 HB2 ALA 7 7.562 -3.563 41.216 44 HB3 ALA 7 HB3 ALA 7 7.229 -4.770 39.950 45 H SER 8 H SER 8 7.006 -1.430 37.820 46 HA SER 8 HA SER 8 6.589 -3.284 35.660 47 HB3 SER 8 HB3 SER 8 5.518 -1.311 34.335 48 HG SER 8 HG SER 8 4.323 -3.069 34.689 49 H GLN 9 H GLN 9 7.955 -2.722 33.950 50 HA GLN 9 HA GLN 9 9.956 -0.595 34.342 51 HB3 GLN 9 HB3 GLN 9 10.612 -2.706 33.292 52 HG3 GLN 9 HG3 GLN 9 8.795 -1.949 30.951 53 HE21 GLN 9 HE22 GLN 9 10.523 -4.779 32.450 54 HE22 GLN 9 HE21 GLN 9 11.198 -5.356 30.947 55 H ALA 10 H ALA 10 10.202 0.687 32.077 56 HA ALA 10 HA ALA 10 7.671 1.233 30.774 57 HB1 ALA 10 HB1 ALA 10 7.958 3.270 32.143 58 HB2 ALA 10 HB2 ALA 10 9.628 3.447 31.546 59 HB3 ALA 10 HB3 ALA 10 8.266 3.619 30.427 60 H LEU 11 H LEU 11 8.323 2.254 28.578 61 HA LEU 11 HA LEU 11 10.798 0.963 27.559 62 HB3 LEU 11 HB3 LEU 11 8.635 1.159 25.591 63 HG LEU 11 HG LEU 11 8.926 -1.179 25.244 64 HD11 LEU 11 HD11 LEU 11 10.659 0.306 24.293 65 HD12 LEU 11 HD12 LEU 11 11.263 -1.312 24.653 66 HD13 LEU 11 HD13 LEU 11 11.674 0.038 25.729 67 HD21 LEU 11 HD21 LEU 11 10.367 -2.592 26.623 68 HD22 LEU 11 HD22 LEU 11 9.042 -1.904 27.586 69 HD23 LEU 11 HD23 LEU 11 10.679 -1.244 27.735 70 H SER 12 H SER 12 10.521 2.017 24.927 71 HA SER 12 HA SER 12 10.101 4.876 25.146 72 HB3 SER 12 HB3 SER 12 12.740 3.994 23.937 73 HG SER 12 HG SER 12 12.077 6.245 25.476 74 H GLN 13 H GLN 13 9.431 5.685 23.125 75 HA GLN 13 HA GLN 13 9.353 3.822 20.791 76 HB3 GLN 13 HB3 GLN 13 7.789 5.645 19.857 77 HG3 GLN 13 HG3 GLN 13 6.898 4.106 22.319 78 HE21 GLN 13 HE22 GLN 13 5.716 4.875 18.947 79 HE22 GLN 13 HE21 GLN 13 4.130 5.382 19.511 80 H GLY 14 H GLY 14 9.365 5.855 18.800 81 HA2 GLY 14 HA2 GLY 14 11.229 7.895 19.036 82 HA3 GLY 14 HA3 GLY 14 12.157 6.473 18.524 83 H SER 15 H SER 15 9.460 8.720 17.550 84 HA SER 15 HA SER 15 10.017 8.099 14.781 85 HB3 SER 15 HB3 SER 15 8.255 6.570 15.059 86 HG SER 15 HG SER 15 6.254 7.572 16.225 87 H GLU 16 H GLU 16 9.449 9.720 13.523 88 HA GLU 16 HA GLU 16 8.143 12.201 14.461 89 HB3 GLU 16 HB3 GLU 16 9.886 13.480 13.070 90 HG3 GLU 16 HG3 GLU 16 11.259 12.256 15.462 91 HA PRO 17 HA PRO 17 6.173 11.830 10.483 92 HB3 PRO 17 HB3 PRO 17 4.927 13.674 10.893 93 HG3 PRO 17 HG3 PRO 17 5.754 15.505 12.136 94 HD3 PRO 17 HD3 PRO 17 6.281 13.569 13.383 95 H SER 18 H SER 18 8.790 14.249 10.277 96 HA SER 18 HA SER 18 10.351 14.779 8.836 97 HB3 SER 18 HB3 SER 18 11.591 13.166 7.701 98 HG SER 18 HG SER 18 11.419 12.967 10.101 99 H SER 19 H SER 19 8.174 12.802 6.672 100 HA SER 19 HA SER 19 8.023 15.188 4.880 101 HB3 SER 19 HB3 SER 19 8.757 12.430 3.872 102 HG SER 19 HG SER 19 7.742 13.778 2.348 103 H GLU 20 H GLU 20 5.868 15.594 5.021 104 HA GLU 20 HA GLU 20 4.002 13.830 3.685 105 HB3 GLU 20 HB3 GLU 20 3.682 12.658 5.629 106 HG3 GLU 20 HG3 GLU 20 4.314 15.165 7.208 107 H ASN 21 H ASN 21 1.628 15.133 4.024 108 HA ASN 21 HA ASN 21 2.182 18.062 3.843 109 HB3 ASN 21 HB3 ASN 21 0.519 18.246 2.000 110 HD21 ASN 21 HD22 ASN 21 2.910 15.658 1.460 111 HD22 ASN 21 HD21 ASN 21 3.985 16.605 0.430 112 H ALA 22 H ALA 22 -0.832 16.112 3.360 113 HA ALA 22 HA ALA 22 -1.879 16.775 5.915 114 HB1 ALA 22 HB1 ALA 22 -3.742 18.256 5.240 115 HB2 ALA 22 HB2 ALA 22 -2.188 19.035 4.903 116 HB3 ALA 22 HB3 ALA 22 -3.110 18.295 3.579 117 H ASN 23 H ASN 23 -1.622 14.321 5.052 118 HA ASN 23 HA ASN 23 -4.408 13.424 4.942 119 HB3 ASN 23 HB3 ASN 23 -2.413 12.880 2.693 120 HD21 ASN 23 HD22 ASN 23 -5.761 12.342 3.906 121 HD22 ASN 23 HD21 ASN 23 -6.050 10.916 2.918 122 H ASP 24 H ASP 24 -4.633 11.241 5.593 123 HA ASP 24 HA ASP 24 -2.591 9.687 6.986 124 HB3 ASP 24 HB3 ASP 24 -4.770 9.489 7.702 125 H THR 25 H THR 25 -1.110 8.497 5.973 126 HA THR 25 HA THR 25 -2.032 6.701 3.933 127 HB THR 25 HB THR 25 0.672 7.917 3.321 128 HG1 THR 25 HG1 THR 25 -0.414 9.104 1.660 129 HG21 THR 25 HG21 THR 25 0.069 7.161 1.015 130 HG22 THR 25 HG22 THR 25 -1.500 6.608 1.624 131 HG23 THR 25 HG23 THR 25 0.016 5.850 2.169 132 H ILE 26 H ILE 26 -0.540 4.814 3.841 133 HA ILE 26 HA ILE 26 1.313 4.581 6.166 134 HB ILE 26 HB ILE 26 -0.237 2.582 4.514 135 HG13 ILE 26 HG13 ILE 26 -1.121 1.796 6.661 136 HG21 ILE 26 HG21 ILE 26 2.019 1.977 6.441 137 HG22 ILE 26 HG22 ILE 26 0.833 0.778 5.889 138 HG23 ILE 26 HG23 ILE 26 1.914 1.537 4.722 139 HD11 ILE 26 HD11 ILE 26 -0.178 4.357 7.958 140 HD12 ILE 26 HD12 ILE 26 -0.892 2.908 8.690 141 HD13 ILE 26 HD13 ILE 26 0.772 2.864 8.124 142 H ILE 27 H ILE 27 3.387 3.647 5.671 143 HA ILE 27 HA ILE 27 4.318 3.822 2.888 144 HB ILE 27 HB ILE 27 4.690 6.045 4.103 145 HG13 ILE 27 HG13 ILE 27 6.970 4.568 2.757 146 HG21 ILE 27 HG21 ILE 27 6.955 4.659 5.516 147 HG22 ILE 27 HG22 ILE 27 6.359 6.314 5.722 148 HG23 ILE 27 HG23 ILE 27 5.368 4.956 6.279 149 HD11 ILE 27 HD11 ILE 27 5.258 5.705 1.377 150 HD12 ILE 27 HD12 ILE 27 5.531 7.209 2.300 151 HD13 ILE 27 HD13 ILE 27 6.809 6.575 1.268 152 H LEU 28 H LEU 28 6.481 2.688 2.754 153 HA LEU 28 HA LEU 28 6.953 0.661 4.909 154 HB3 LEU 28 HB3 LEU 28 7.797 -0.828 3.104 155 HG LEU 28 HG LEU 28 5.871 -1.673 2.021 156 HD11 LEU 28 HD11 LEU 28 6.142 -2.146 4.449 157 HD12 LEU 28 HD12 LEU 28 4.464 -2.227 3.905 158 HD13 LEU 28 HD13 LEU 28 5.042 -0.809 4.803 159 HD21 LEU 28 HD21 LEU 28 3.727 -0.755 1.892 160 HD22 LEU 28 HD22 LEU 28 4.785 0.590 1.452 161 HD23 LEU 28 HD23 LEU 28 4.067 0.516 3.069 162 H ARG 29 H ARG 29 9.230 0.431 5.331 163 HA ARG 29 HA ARG 29 11.090 1.803 3.492 164 HB3 ARG 29 HB3 ARG 29 12.534 2.570 5.210 165 HG3 ARG 29 HG3 ARG 29 10.048 3.559 6.528 166 HD3 ARG 29 HD3 ARG 29 12.633 4.345 6.629 167 HE ARG 29 HE ARG 29 13.174 5.328 4.569 168 HH11 ARG 29 HH11 ARG 29 10.087 6.684 5.789 169 HH12 ARG 29 HH12 ARG 29 9.809 7.601 4.343 170 HH21 ARG 29 HH22 ARG 29 12.716 6.478 2.642 171 HH22 ARG 29 HH21 ARG 29 11.458 7.658 2.641 172 H ASN 30 H ASN 30 13.402 0.972 4.300 173 HA ASN 30 HA ASN 30 14.840 -0.699 4.075 174 HB3 ASN 30 HB3 ASN 30 13.190 -2.286 6.079 175 HD21 ASN 30 HD22 ASN 30 14.169 -4.311 5.998 176 HD22 ASN 30 HD21 ASN 30 15.884 -4.523 6.202 177 H LEU 31 H LEU 31 13.867 -0.813 1.842 178 HA LEU 31 HA LEU 31 12.910 -3.582 1.398 179 HB3 LEU 31 HB3 LEU 31 11.799 -2.744 -0.675 180 HG LEU 31 HG LEU 31 10.632 -1.581 1.891 181 HD11 LEU 31 HD11 LEU 31 8.508 -1.736 0.710 182 HD12 LEU 31 HD12 LEU 31 9.339 -2.360 -0.736 183 HD13 LEU 31 HD13 LEU 31 9.635 -0.699 -0.203 184 HD21 LEU 31 HD21 LEU 31 10.458 -4.329 0.573 185 HD22 LEU 31 HD22 LEU 31 9.234 -3.748 1.706 186 HD23 LEU 31 HD23 LEU 31 10.909 -3.897 2.245 187 H ASN 32 H ASN 32 13.829 -4.689 -0.373 188 HA ASN 32 HA ASN 32 16.474 -3.619 -1.143 189 HB3 ASN 32 HB3 ASN 32 16.501 -6.120 -2.067 190 HD21 ASN 32 HD22 ASN 32 18.349 -7.035 -1.097 191 HD22 ASN 32 HD21 ASN 32 18.839 -6.594 0.537 192 HA PRO 33 HA PRO 33 14.895 -2.790 -5.162 193 HB3 PRO 33 HB3 PRO 33 16.863 -2.189 -6.055 194 HG3 PRO 33 HG3 PRO 33 18.832 -2.973 -5.113 195 HD3 PRO 33 HD3 PRO 33 17.690 -2.791 -3.107 196 H HIS 34 H HIS 34 15.734 -6.077 -4.326 197 HA HIS 34 HA HIS 34 14.136 -7.307 -6.446 198 HB3 HIS 34 HB3 HIS 34 14.971 -9.399 -5.321 199 HD1 HIS 34 HD1 HIS 34 16.055 -9.699 -7.718 200 HD2 HIS 34 HD2 HIS 34 17.872 -6.833 -5.217 201 HE1 HIS 34 HE1 HIS 34 18.208 -8.982 -8.890 202 H SER 35 H SER 35 13.189 -5.930 -3.404 203 HA SER 35 HA SER 35 11.574 -8.054 -2.447 204 HB3 SER 35 HB3 SER 35 10.524 -6.254 -1.113 205 HG SER 35 HG SER 35 12.516 -7.107 -0.434 206 H THR 36 H THR 36 9.199 -7.811 -2.388 207 HA THR 36 HA THR 36 8.002 -6.922 -4.973 208 HB THR 36 HB THR 36 6.711 -9.223 -4.581 209 HG1 THR 36 HG1 THR 36 7.628 -10.564 -3.255 210 HG21 THR 36 HG21 THR 36 8.376 -10.326 -6.032 211 HG22 THR 36 HG22 THR 36 9.559 -9.054 -5.668 212 HG23 THR 36 HG23 THR 36 8.051 -8.667 -6.538 213 H MET 37 H MET 37 5.673 -6.724 -5.018 214 HA MET 37 HA MET 37 4.646 -5.200 -2.895 215 HB3 MET 37 HB3 MET 37 3.234 -6.787 -5.092 216 HG3 MET 37 HG3 MET 37 2.243 -4.592 -3.254 217 HE1 MET 37 HE1 MET 37 1.784 -2.803 -5.182 218 HE2 MET 37 HE2 MET 37 2.386 -3.857 -6.491 219 HE3 MET 37 HE3 MET 37 0.775 -3.117 -6.611 220 H ASP 38 H ASP 38 4.248 -8.671 -3.623 221 HA ASP 38 HA ASP 38 2.124 -9.020 -1.807 222 HB3 ASP 38 HB3 ASP 38 2.426 -11.441 -2.193 223 H SER 39 H SER 39 5.473 -8.728 -1.046 224 HA SER 39 HA SER 39 5.514 -10.115 1.442 225 HB3 SER 39 HB3 SER 39 7.547 -9.218 0.408 226 HG SER 39 HG SER 39 6.857 -7.227 -0.403 227 H ILE 40 H ILE 40 3.871 -7.200 0.476 228 HA ILE 40 HA ILE 40 3.134 -6.435 3.231 229 HB ILE 40 HB ILE 40 2.394 -5.293 0.486 230 HG13 ILE 40 HG13 ILE 40 4.477 -4.551 2.542 231 HG21 ILE 40 HG21 ILE 40 1.707 -4.120 3.197 232 HG22 ILE 40 HG22 ILE 40 1.301 -3.487 1.574 233 HG23 ILE 40 HG23 ILE 40 0.568 -4.974 2.136 234 HD11 ILE 40 HD11 ILE 40 5.723 -3.766 0.574 235 HD12 ILE 40 HD12 ILE 40 5.201 -5.429 0.289 236 HD13 ILE 40 HD13 ILE 40 4.327 -4.091 -0.476 237 H LEU 41 H LEU 41 1.455 -7.252 0.161 238 HA LEU 41 HA LEU 41 -1.077 -7.435 1.253 239 HB3 LEU 41 HB3 LEU 41 -1.706 -8.853 -0.698 240 HG LEU 41 HG LEU 41 0.062 -6.485 -1.454 241 HD11 LEU 41 HD11 LEU 41 -2.179 -7.919 -2.938 242 HD12 LEU 41 HD12 LEU 41 -0.450 -8.005 -3.316 243 HD13 LEU 41 HD13 LEU 41 -1.311 -6.470 -3.507 244 HD21 LEU 41 HD21 LEU 41 -2.924 -6.640 -0.822 245 HD22 LEU 41 HD22 LEU 41 -2.131 -5.253 -1.603 246 HD23 LEU 41 HD23 LEU 41 -1.695 -5.696 0.046 247 H GLY 42 H GLY 42 1.253 -10.163 0.885 248 HA2 GLY 42 HA2 GLY 42 -0.568 -12.179 1.670 249 HA3 GLY 42 HA3 GLY 42 1.199 -12.288 1.695 250 H ALA 43 H ALA 43 1.064 -9.795 3.684 251 HA ALA 43 HA ALA 43 0.735 -11.441 6.119 252 HB1 ALA 43 HB1 ALA 43 1.664 -8.574 5.762 253 HB2 ALA 43 HB2 ALA 43 1.550 -9.448 7.306 254 HB3 ALA 43 HB3 ALA 43 2.671 -9.982 6.052 255 H LEU 44 H LEU 44 -0.650 -8.481 4.582 256 HA LEU 44 HA LEU 44 -2.480 -8.283 6.908 257 HB3 LEU 44 HB3 LEU 44 -2.842 -5.964 6.200 258 HG LEU 44 HG LEU 44 -1.073 -5.049 7.133 259 HD11 LEU 44 HD11 LEU 44 -1.372 -6.898 8.641 260 HD12 LEU 44 HD12 LEU 44 0.359 -6.613 8.508 261 HD13 LEU 44 HD13 LEU 44 -0.317 -7.953 7.678 262 HD21 LEU 44 HD21 LEU 44 0.771 -6.681 5.406 263 HD22 LEU 44 HD22 LEU 44 1.293 -5.450 6.570 264 HD23 LEU 44 HD23 LEU 44 0.287 -5.005 5.181 265 H ALA 45 H ALA 45 -2.802 -9.751 4.068 266 HA ALA 45 HA ALA 45 -5.064 -8.919 2.810 267 HB1 ALA 45 HB1 ALA 45 -3.775 -10.829 2.088 268 HB2 ALA 45 HB2 ALA 45 -4.301 -11.785 3.479 269 HB3 ALA 45 HB3 ALA 45 -5.479 -11.291 2.239 270 HA PRO 46 HA PRO 46 -8.211 -10.436 5.921 271 HB3 PRO 46 HB3 PRO 46 -7.532 -12.470 6.922 272 HG3 PRO 46 HG3 PRO 46 -5.329 -12.708 7.831 273 HD3 PRO 46 HD3 PRO 46 -4.986 -12.128 5.585 274 H TYR 47 H TYR 47 -5.627 -8.385 6.879 275 HA TYR 47 HA TYR 47 -7.256 -7.126 9.023 276 HB3 TYR 47 HB3 TYR 47 -5.162 -6.297 9.887 277 HD1 TYR 47 HD1 TYR 47 -6.960 -8.675 10.467 278 HD2 TYR 47 HD2 TYR 47 -2.774 -8.527 9.390 279 HE1 TYR 47 HE1 TYR 47 -6.609 -10.839 11.560 280 HE2 TYR 47 HE2 TYR 47 -2.398 -10.627 10.583 281 HH TYR 47 HH TYR 47 -3.456 -12.181 12.245 282 H ALA 48 H ALA 48 -7.024 -6.803 5.870 283 HA ALA 48 HA ALA 48 -7.732 -3.954 5.944 284 HB1 ALA 48 HB1 ALA 48 -6.257 -3.387 4.084 285 HB2 ALA 48 HB2 ALA 48 -5.285 -3.961 5.446 286 HB3 ALA 48 HB3 ALA 48 -5.588 -5.040 4.063 287 H VAL 49 H VAL 49 -8.739 -3.380 3.765 288 HA VAL 49 HA VAL 49 -9.914 -5.704 2.351 289 HB VAL 49 HB VAL 49 -11.472 -5.181 3.988 290 HG11 VAL 49 HG11 VAL 49 -12.557 -2.945 4.236 291 HG12 VAL 49 HG12 VAL 49 -10.884 -3.029 4.796 292 HG13 VAL 49 HG13 VAL 49 -11.261 -2.261 3.244 293 HG21 VAL 49 HG21 VAL 49 -12.264 -5.582 1.630 294 HG22 VAL 49 HG22 VAL 49 -13.428 -4.733 2.672 295 HG23 VAL 49 HG23 VAL 49 -12.491 -3.833 1.464 296 H LEU 50 H LEU 50 -8.261 -5.290 0.883 297 HA LEU 50 HA LEU 50 -8.556 -2.906 -0.867 298 HB3 LEU 50 HB3 LEU 50 -7.159 -2.102 0.867 299 HG LEU 50 HG LEU 50 -6.251 -4.163 1.902 300 HD11 LEU 50 HD11 LEU 50 -4.120 -5.123 0.966 301 HD12 LEU 50 HD12 LEU 50 -4.467 -4.298 -0.568 302 HD13 LEU 50 HD13 LEU 50 -5.559 -5.563 0.071 303 HD21 LEU 50 HD21 LEU 50 -5.285 -1.893 2.239 304 HD22 LEU 50 HD22 LEU 50 -4.121 -2.199 0.929 305 HD23 LEU 50 HD23 LEU 50 -4.079 -3.166 2.417 306 H SER 51 H SER 51 -6.534 -2.992 -2.512 307 HA SER 51 HA SER 51 -5.837 -5.755 -3.209 308 HB3 SER 51 HB3 SER 51 -6.766 -3.979 -5.464 309 HG SER 51 HG SER 51 -7.278 -6.694 -4.934 310 H SER 52 H SER 52 -4.418 -5.435 -5.451 311 HA SER 52 HA SER 52 -1.981 -4.209 -4.674 312 HB3 SER 52 HB3 SER 52 -2.111 -6.066 -6.267 313 HG SER 52 HG SER 52 -2.778 -5.497 -8.442 314 H SER 53 H SER 53 -4.806 -2.894 -6.164 315 HA SER 53 HA SER 53 -3.816 -0.585 -7.462 316 HB3 SER 53 HB3 SER 53 -6.202 0.143 -7.068 317 HG SER 53 HG SER 53 -6.865 -2.263 -7.928 318 H ASN 54 H ASN 54 -4.786 -1.132 -4.065 319 HA ASN 54 HA ASN 54 -4.405 1.530 -3.163 320 HB3 ASN 54 HB3 ASN 54 -4.399 0.520 -0.905 321 HD21 ASN 54 HD22 ASN 54 -6.538 1.362 -0.708 322 HD22 ASN 54 HD21 ASN 54 -7.918 0.460 -1.337 323 H VAL 55 H VAL 55 -2.251 -1.346 -2.936 324 HA VAL 55 HA VAL 55 -0.092 0.053 -1.643 325 HB VAL 55 HB VAL 55 -0.160 -2.660 -3.042 326 HG11 VAL 55 HG11 VAL 55 1.805 -3.152 -1.544 327 HG12 VAL 55 HG12 VAL 55 2.155 -1.916 -2.760 328 HG13 VAL 55 HG13 VAL 55 1.846 -1.441 -1.078 329 HG21 VAL 55 HG21 VAL 55 -0.391 -3.571 -0.741 330 HG22 VAL 55 HG22 VAL 55 -0.538 -1.924 -0.112 331 HG23 VAL 55 HG23 VAL 55 -1.783 -2.587 -1.189 332 H ARG 56 H ARG 56 0.945 1.619 -2.726 333 HA ARG 56 HA ARG 56 1.387 1.313 -5.677 334 HB3 ARG 56 HB3 ARG 56 2.124 3.792 -4.104 335 HG3 ARG 56 HG3 ARG 56 2.966 3.370 -6.499 336 HD3 ARG 56 HD3 ARG 56 0.430 4.360 -7.623 337 HE ARG 56 HE ARG 56 2.522 3.446 -8.877 338 HH11 ARG 56 HH11 ARG 56 -0.419 1.419 -8.330 339 HH12 ARG 56 HH12 ARG 56 -0.099 0.510 -9.774 340 HH21 ARG 56 HH22 ARG 56 2.902 2.103 -10.582 341 HH22 ARG 56 HH21 ARG 56 1.803 0.789 -10.956 342 H VAL 57 H VAL 57 3.430 1.115 -6.475 343 HA VAL 57 HA VAL 57 5.680 1.144 -4.551 344 HB VAL 57 HB VAL 57 5.285 -0.914 -6.757 345 HG11 VAL 57 HG11 VAL 57 7.128 -2.046 -5.572 346 HG12 VAL 57 HG12 VAL 57 7.635 -0.415 -6.038 347 HG13 VAL 57 HG13 VAL 57 7.173 -0.736 -4.367 348 HG21 VAL 57 HG21 VAL 57 4.741 -1.203 -3.773 349 HG22 VAL 57 HG22 VAL 57 3.574 -1.411 -5.096 350 HG23 VAL 57 HG23 VAL 57 4.892 -2.565 -4.911 351 H ILE 58 H ILE 58 6.496 3.035 -5.127 352 HA ILE 58 HA ILE 58 6.835 3.826 -7.905 353 HB ILE 58 HB ILE 58 8.445 5.008 -5.626 354 HG13 ILE 58 HG13 ILE 58 6.754 6.917 -5.582 355 HG21 ILE 58 HG21 ILE 58 9.014 5.588 -8.011 356 HG22 ILE 58 HG22 ILE 58 7.392 6.242 -8.213 357 HG23 ILE 58 HG23 ILE 58 8.492 6.999 -7.066 358 HD11 ILE 58 HD11 ILE 58 4.770 4.733 -6.279 359 HD12 ILE 58 HD12 ILE 58 4.436 6.430 -5.914 360 HD13 ILE 58 HD13 ILE 58 5.248 5.986 -7.443 361 H LYS 59 H LYS 59 8.252 3.043 -9.132 362 HA LYS 59 HA LYS 59 10.583 1.475 -8.035 363 HB3 LYS 59 HB3 LYS 59 10.304 -0.023 -10.027 364 HG3 LYS 59 HG3 LYS 59 7.892 0.249 -8.184 365 HD3 LYS 59 HD3 LYS 59 7.579 -2.154 -8.419 366 HE3 LYS 59 HE3 LYS 59 6.745 -2.265 -10.738 367 HZ1 LYS 59 HZ1 LYS 59 5.317 -0.986 -9.382 368 HZ2 LYS 59 HZ2 LYS 59 5.466 -0.124 -10.750 369 HZ3 LYS 59 HZ3 LYS 59 6.264 0.332 -9.383 370 H ASP 60 H ASP 60 12.391 1.291 -9.661 371 HA ASP 60 HA ASP 60 13.129 3.947 -10.515 372 HB3 ASP 60 HB3 ASP 60 14.333 1.186 -10.934 373 H LYS 61 H LYS 61 13.627 4.577 -12.734 374 HA LYS 61 HA LYS 61 11.674 3.542 -14.708 375 HB3 LYS 61 HB3 LYS 61 13.560 5.892 -14.558 376 HG3 LYS 61 HG3 LYS 61 13.667 5.261 -16.922 377 HD3 LYS 61 HD3 LYS 61 10.622 5.477 -16.852 378 HE3 LYS 61 HE3 LYS 61 10.914 4.953 -19.362 379 HZ1 LYS 61 HZ1 LYS 61 11.716 7.646 -18.458 380 HZ2 LYS 61 HZ2 LYS 61 10.189 7.131 -18.706 381 HZ3 LYS 61 HZ3 LYS 61 11.216 7.268 -19.980 382 H GLN 62 H GLN 62 15.249 3.766 -14.236 383 HA GLN 62 HA GLN 62 15.931 2.986 -16.873 384 HB3 GLN 62 HB3 GLN 62 18.108 2.700 -16.085 385 HG3 GLN 62 HG3 GLN 62 17.125 4.685 -14.000 386 HE21 GLN 62 HE22 GLN 62 19.099 4.583 -12.686 387 HE22 GLN 62 HE21 GLN 62 20.682 4.666 -13.451 388 H THR 63 H THR 63 15.250 1.193 -13.921 389 HA THR 63 HA THR 63 15.493 -1.462 -15.286 390 HB THR 63 HB THR 63 16.291 -2.235 -13.078 391 HG1 THR 63 HG1 THR 63 16.185 0.531 -12.340 392 HG21 THR 63 HG21 THR 63 17.970 -1.409 -14.714 393 HG22 THR 63 HG22 THR 63 18.474 -1.246 -13.015 394 HG23 THR 63 HG23 THR 63 17.927 0.181 -13.914 395 H GLN 64 H GLN 64 14.450 -3.045 -13.407 396 HA GLN 64 HA GLN 64 11.709 -2.052 -12.796 397 HB3 GLN 64 HB3 GLN 64 10.930 -4.389 -13.224 398 HG3 GLN 64 HG3 GLN 64 11.200 -4.384 -15.718 399 HE21 GLN 64 HE22 GLN 64 11.432 -0.969 -14.827 400 HE22 GLN 64 HE21 GLN 64 9.736 -0.598 -14.929 401 H LEU 65 H LEU 65 13.254 -1.359 -11.046 402 HA LEU 65 HA LEU 65 13.429 -3.465 -8.964 403 HB3 LEU 65 HB3 LEU 65 15.533 -2.425 -8.207 404 HG LEU 65 HG LEU 65 15.722 -3.250 -11.134 405 HD11 LEU 65 HD11 LEU 65 17.607 -1.862 -10.396 406 HD12 LEU 65 HD12 LEU 65 18.113 -3.537 -10.675 407 HD13 LEU 65 HD13 LEU 65 17.877 -2.936 -9.012 408 HD21 LEU 65 HD21 LEU 65 16.478 -5.409 -10.326 409 HD22 LEU 65 HD22 LEU 65 14.881 -5.078 -9.658 410 HD23 LEU 65 HD23 LEU 65 16.315 -4.908 -8.639 411 H ASN 66 H ASN 66 13.450 -2.550 -6.885 412 HA ASN 66 HA ASN 66 11.405 -0.427 -6.713 413 HB3 ASN 66 HB3 ASN 66 11.278 -1.168 -4.334 414 HD21 ASN 66 HD22 ASN 66 12.290 -4.253 -5.578 415 HD22 ASN 66 HD21 ASN 66 10.711 -4.869 -5.868 416 H ARG 67 H ARG 67 11.617 1.259 -4.975 417 HA ARG 67 HA ARG 67 14.326 2.478 -5.167 418 HB3 ARG 67 HB3 ARG 67 13.071 4.611 -4.732 419 HG3 ARG 67 HG3 ARG 67 12.005 2.994 -7.065 420 HD3 ARG 67 HD3 ARG 67 11.088 5.429 -6.187 421 HE ARG 67 HE ARG 67 13.399 5.967 -7.974 422 HH11 ARG 67 HH11 ARG 67 10.421 7.310 -6.578 423 HH12 ARG 67 HH12 ARG 67 10.914 8.952 -6.751 424 HH21 ARG 67 HH22 ARG 67 14.104 8.164 -8.096 425 HH22 ARG 67 HH21 ARG 67 13.105 9.406 -7.426 426 H GLY 68 H GLY 68 13.202 0.540 -2.858 427 HA2 GLY 68 HA2 GLY 68 14.237 0.317 -0.824 428 HA3 GLY 68 HA3 GLY 68 14.612 2.031 -0.774 429 H PHE 69 H PHE 69 11.438 1.997 -1.607 430 HA PHE 69 HA PHE 69 10.281 1.762 1.069 431 HB3 PHE 69 HB3 PHE 69 11.331 4.121 0.664 432 HD1 PHE 69 HD2 PHE 69 11.598 4.297 -2.048 433 HD2 PHE 69 HD1 PHE 69 8.018 5.191 0.164 434 HE1 PHE 69 HE2 PHE 69 10.768 5.687 -3.950 435 HE2 PHE 69 HE1 PHE 69 7.242 6.640 -1.654 436 HZ PHE 69 HZ PHE 69 8.600 6.893 -3.734 437 H ALA 70 H ALA 70 7.791 2.297 0.782 438 HA ALA 70 HA ALA 70 6.711 2.282 -1.881 439 HB1 ALA 70 HB1 ALA 70 5.263 0.277 -1.582 440 HB2 ALA 70 HB2 ALA 70 6.988 -0.112 -1.723 441 HB3 ALA 70 HB3 ALA 70 6.198 -0.160 -0.139 442 H PHE 71 H PHE 71 4.064 2.148 -1.528 443 HA PHE 71 HA PHE 71 3.357 3.906 0.792 444 HB3 PHE 71 HB3 PHE 71 1.769 4.790 -1.236 445 HD1 PHE 71 HD1 PHE 71 2.167 6.074 1.074 446 HD2 PHE 71 HD2 PHE 71 4.793 6.237 -2.351 447 HE1 PHE 71 HE1 PHE 71 2.949 8.252 1.797 448 HE2 PHE 71 HE2 PHE 71 5.661 8.424 -1.555 449 HZ PHE 71 HZ PHE 71 4.729 9.461 0.512 450 H ILE 72 H ILE 72 1.061 3.611 1.404 451 HA ILE 72 HA ILE 72 -0.528 1.759 -0.267 452 HB ILE 72 HB ILE 72 -0.413 1.505 2.755 453 HG13 ILE 72 HG13 ILE 72 1.688 0.679 1.907 454 HG21 ILE 72 HG21 ILE 72 -2.605 0.979 1.700 455 HG22 ILE 72 HG22 ILE 72 -1.815 -0.140 0.581 456 HG23 ILE 72 HG23 ILE 72 -1.879 -0.484 2.321 457 HD11 ILE 72 HD11 ILE 72 1.695 -1.504 2.795 458 HD12 ILE 72 HD12 ILE 72 0.484 -0.598 3.722 459 HD13 ILE 72 HD13 ILE 72 -0.024 -1.747 2.460 460 H GLN 73 H GLN 73 -2.235 2.927 -0.865 461 HA GLN 73 HA GLN 73 -3.191 5.209 0.687 462 HB3 GLN 73 HB3 GLN 73 -4.940 4.025 -1.422 463 HG3 GLN 73 HG3 GLN 73 -3.704 6.802 -1.341 464 HE21 GLN 73 HE22 GLN 73 -4.587 5.816 -3.824 465 HE22 GLN 73 HE21 GLN 73 -6.212 6.435 -4.118 466 H LEU 74 H LEU 74 -4.781 5.099 2.238 467 HA LEU 74 HA LEU 74 -6.316 2.603 2.584 468 HB3 LEU 74 HB3 LEU 74 -5.054 3.627 5.088 469 HG LEU 74 HG LEU 74 -6.506 1.425 4.536 470 HD11 LEU 74 HD11 LEU 74 -5.084 -0.535 4.150 471 HD12 LEU 74 HD12 LEU 74 -3.630 0.493 4.055 472 HD13 LEU 74 HD13 LEU 74 -4.889 0.603 2.807 473 HD21 LEU 74 HD21 LEU 74 -5.739 2.025 6.726 474 HD22 LEU 74 HD22 LEU 74 -4.096 1.423 6.391 475 HD23 LEU 74 HD23 LEU 74 -5.476 0.301 6.461 476 H SER 75 H SER 75 -7.113 3.596 5.324 477 HA SER 75 HA SER 75 -8.552 6.084 4.679 478 HB3 SER 75 HB3 SER 75 -10.562 5.284 5.824 479 HG SER 75 HG SER 75 -9.662 3.450 3.847 480 H THR 76 H THR 76 -9.116 7.228 6.704 481 HA THR 76 HA THR 76 -6.841 7.910 7.915 482 HB THR 76 HB THR 76 -8.380 8.984 9.722 483 HG1 THR 76 HG1 THR 76 -10.382 8.253 7.853 484 HG21 THR 76 HG21 THR 76 -7.592 10.330 7.944 485 HG22 THR 76 HG22 THR 76 -9.352 10.591 8.040 486 HG23 THR 76 HG23 THR 76 -8.677 9.562 6.780 487 H ILE 77 H ILE 77 -9.341 6.365 9.901 488 HA ILE 77 HA ILE 77 -7.532 6.004 12.092 489 HB ILE 77 HB ILE 77 -10.327 4.982 11.477 490 HG13 ILE 77 HG13 ILE 77 -9.992 7.408 11.793 491 HG21 ILE 77 HG21 ILE 77 -10.537 4.238 13.798 492 HG22 ILE 77 HG22 ILE 77 -9.225 3.369 13.014 493 HG23 ILE 77 HG23 ILE 77 -8.853 4.698 14.129 494 HD11 ILE 77 HD11 ILE 77 -11.245 6.355 14.343 495 HD12 ILE 77 HD12 ILE 77 -11.441 7.953 13.600 496 HD13 ILE 77 HD13 ILE 77 -12.083 6.519 12.777 497 H GLU 78 H GLU 78 -8.456 4.006 9.394 498 HA GLU 78 HA GLU 78 -7.530 1.475 10.296 499 HB3 GLU 78 HB3 GLU 78 -7.574 0.896 7.854 500 HG3 GLU 78 HG3 GLU 78 -9.886 2.215 9.285 501 H ALA 79 H ALA 79 -5.974 4.187 8.684 502 HA ALA 79 HA ALA 79 -3.375 2.903 8.284 503 HB1 ALA 79 HB1 ALA 79 -3.715 4.813 6.908 504 HB2 ALA 79 HB2 ALA 79 -4.302 5.820 8.212 505 HB3 ALA 79 HB3 ALA 79 -2.586 5.400 8.131 506 H ALA 80 H ALA 80 -4.850 5.048 10.712 507 HA ALA 80 HA ALA 80 -2.546 5.067 12.355 508 HB1 ALA 80 HB1 ALA 80 -4.121 6.903 12.337 509 HB2 ALA 80 HB2 ALA 80 -5.403 5.869 12.978 510 HB3 ALA 80 HB3 ALA 80 -3.992 6.265 13.986 511 H GLN 81 H GLN 81 -4.349 2.362 11.901 512 HA GLN 81 HA GLN 81 -3.951 1.383 14.691 513 HB3 GLN 81 HB3 GLN 81 -6.340 1.679 14.238 514 HG3 GLN 81 HG3 GLN 81 -5.977 -0.516 12.184 515 HE21 GLN 81 HE22 GLN 81 -7.875 -1.521 11.423 516 HE22 GLN 81 HE21 GLN 81 -9.462 -1.085 12.030 517 H LEU 82 H LEU 82 -4.053 0.564 11.210 518 HA LEU 82 HA LEU 82 -3.127 -2.056 11.460 519 HB3 LEU 82 HB3 LEU 82 -2.516 -0.096 9.214 520 HG LEU 82 HG LEU 82 -1.326 -2.313 9.011 521 HD11 LEU 82 HD11 LEU 82 -2.751 -4.336 8.500 522 HD12 LEU 82 HD12 LEU 82 -4.176 -3.427 9.033 523 HD13 LEU 82 HD13 LEU 82 -2.873 -3.820 10.177 524 HD21 LEU 82 HD21 LEU 82 -2.117 -2.797 6.752 525 HD22 LEU 82 HD22 LEU 82 -2.016 -1.042 7.032 526 HD23 LEU 82 HD23 LEU 82 -3.603 -1.850 7.049 527 H LEU 83 H LEU 83 -1.247 0.981 11.465 528 HA LEU 83 HA LEU 83 1.329 -0.032 11.270 529 HB3 LEU 83 HB3 LEU 83 0.404 2.134 13.187 530 HG LEU 83 HG LEU 83 2.899 1.563 13.171 531 HD11 LEU 83 HD11 LEU 83 3.163 1.016 10.772 532 HD12 LEU 83 HD12 LEU 83 4.193 2.384 11.205 533 HD13 LEU 83 HD13 LEU 83 2.671 2.649 10.323 534 HD21 LEU 83 HD21 LEU 83 2.114 3.776 13.856 535 HD22 LEU 83 HD22 LEU 83 2.072 4.297 12.161 536 HD23 LEU 83 HD23 LEU 83 3.621 3.924 12.949 537 H GLN 84 H GLN 84 -0.882 -0.214 14.069 538 HA GLN 84 HA GLN 84 1.244 -0.896 15.975 539 HB3 GLN 84 HB3 GLN 84 -0.727 -1.458 17.449 540 HG3 GLN 84 HG3 GLN 84 -0.451 1.322 16.270 541 HE21 GLN 84 HE22 GLN 84 -2.610 1.911 16.130 542 HE22 GLN 84 HE21 GLN 84 -3.803 1.532 17.342 543 H ILE 85 H ILE 85 -1.316 -2.595 14.126 544 HA ILE 85 HA ILE 85 -0.739 -5.222 14.985 545 HB ILE 85 HB ILE 85 -1.732 -4.193 12.297 546 HG13 ILE 85 HG13 ILE 85 -3.140 -3.762 14.353 547 HG21 ILE 85 HG21 ILE 85 -0.714 -6.466 12.005 548 HG22 ILE 85 HG22 ILE 85 -1.792 -7.081 13.272 549 HG23 ILE 85 HG23 ILE 85 -2.439 -6.463 11.743 550 HD11 ILE 85 HD11 ILE 85 -4.380 -5.736 12.397 551 HD12 ILE 85 HD12 ILE 85 -5.233 -4.750 13.574 552 HD13 ILE 85 HD13 ILE 85 -4.338 -3.954 12.265 553 H LEU 86 H LEU 86 0.786 -3.257 12.382 554 HA LEU 86 HA LEU 86 2.396 -5.356 11.377 555 HB3 LEU 86 HB3 LEU 86 3.831 -3.612 10.411 556 HG LEU 86 HG LEU 86 1.215 -2.232 10.063 557 HD11 LEU 86 HD11 LEU 86 3.181 -3.412 8.087 558 HD12 LEU 86 HD12 LEU 86 3.245 -1.760 8.739 559 HD13 LEU 86 HD13 LEU 86 1.844 -2.285 7.768 560 HD21 LEU 86 HD21 LEU 86 0.389 -4.003 8.517 561 HD22 LEU 86 HD22 LEU 86 0.348 -4.531 10.189 562 HD23 LEU 86 HD23 LEU 86 1.674 -5.080 9.128 563 H GLN 87 H GLN 87 3.012 -3.365 14.247 564 HA GLN 87 HA GLN 87 5.852 -3.973 14.328 565 HB3 GLN 87 HB3 GLN 87 5.792 -3.069 16.565 566 HG3 GLN 87 HG3 GLN 87 4.741 -0.873 16.126 567 HE21 GLN 87 HE22 GLN 87 5.654 0.850 14.430 568 HE22 GLN 87 HE21 GLN 87 7.360 0.655 14.209 569 H ALA 88 H ALA 88 3.157 -6.011 14.698 570 HA ALA 88 HA ALA 88 4.048 -7.443 17.082 571 HB1 ALA 88 HB1 ALA 88 2.050 -8.795 16.689 572 HB2 ALA 88 HB2 ALA 88 1.638 -7.075 16.525 573 HB3 ALA 88 HB3 ALA 88 1.842 -8.105 15.084 574 H LEU 89 H LEU 89 4.888 -7.638 13.701 575 HA LEU 89 HA LEU 89 5.615 -10.506 13.964 576 HB3 LEU 89 HB3 LEU 89 3.369 -10.521 13.091 577 HG LEU 89 HG LEU 89 4.336 -8.367 11.174 578 HD11 LEU 89 HD11 LEU 89 4.004 -10.239 9.688 579 HD12 LEU 89 HD12 LEU 89 2.671 -9.068 9.505 580 HD13 LEU 89 HD13 LEU 89 2.424 -10.586 10.416 581 HD21 LEU 89 HD21 LEU 89 2.734 -7.758 12.889 582 HD22 LEU 89 HD22 LEU 89 1.637 -9.057 12.401 583 HD23 LEU 89 HD23 LEU 89 1.957 -7.689 11.309 584 H HIS 90 H HIS 90 6.872 -11.329 12.271 585 HA HIS 90 HA HIS 90 8.668 -9.457 10.826 586 HB3 HIS 90 HB3 HIS 90 9.594 -11.735 10.000 587 HD1 HIS 90 HD1 HIS 90 9.804 -9.599 13.111 588 HD2 HIS 90 HD2 HIS 90 11.685 -12.963 11.387 589 HE1 HIS 90 HE1 HIS 90 12.102 -9.751 14.153 590 HA PRO 91 HA PRO 91 5.709 -10.117 7.521 591 HB3 PRO 91 HB3 PRO 91 6.623 -8.189 6.570 592 HG3 PRO 91 HG3 PRO 91 8.975 -7.853 6.522 593 HD3 PRO 91 HD3 PRO 91 8.475 -8.184 8.792 594 HA PRO 92 HA PRO 92 6.429 -14.159 6.099 595 HB3 PRO 92 HB3 PRO 92 4.161 -14.182 5.671 596 HG3 PRO 92 HG3 PRO 92 3.094 -12.380 4.519 597 HD3 PRO 92 HD3 PRO 92 4.220 -11.477 6.388 598 H LEU 93 H LEU 93 7.942 -11.814 4.368 599 HA LEU 93 HA LEU 93 8.984 -13.593 2.219 600 HB3 LEU 93 HB3 LEU 93 9.174 -10.983 1.261 601 HG LEU 93 HG LEU 93 7.191 -11.346 -0.138 602 HD11 LEU 93 HD11 LEU 93 9.420 -12.070 -0.856 603 HD12 LEU 93 HD12 LEU 93 8.149 -13.105 -1.492 604 HD13 LEU 93 HD13 LEU 93 9.145 -13.677 -0.136 605 HD21 LEU 93 HD21 LEU 93 6.937 -14.108 1.078 606 HD22 LEU 93 HD22 LEU 93 5.932 -13.352 -0.180 607 HD23 LEU 93 HD23 LEU 93 5.870 -12.734 1.473 608 H THR 94 H THR 94 11.260 -13.549 2.172 609 HA THR 94 HA THR 94 12.677 -11.379 3.591 610 HB THR 94 HB THR 94 13.105 -14.249 4.271 611 HG1 THR 94 HG1 THR 94 11.379 -12.386 5.412 612 HG21 THR 94 HG21 THR 94 14.445 -13.521 6.131 613 HG22 THR 94 HG22 THR 94 13.946 -11.838 5.912 614 HG23 THR 94 HG23 THR 94 14.997 -12.607 4.712 615 H ILE 95 H ILE 95 13.055 -11.069 1.421 616 HA ILE 95 HA ILE 95 14.843 -12.772 -0.208 617 HB ILE 95 HB ILE 95 13.277 -11.200 -1.298 618 HG13 ILE 95 HG13 ILE 95 16.179 -10.453 -1.832 619 HG21 ILE 95 HG21 ILE 95 13.624 -8.789 -1.312 620 HG22 ILE 95 HG22 ILE 95 13.332 -9.335 0.352 621 HG23 ILE 95 HG23 ILE 95 14.979 -8.944 -0.176 622 HD11 ILE 95 HD11 ILE 95 14.355 -12.468 -3.190 623 HD12 ILE 95 HD12 ILE 95 15.964 -11.985 -3.760 624 HD13 ILE 95 HD13 ILE 95 15.809 -12.852 -2.226 625 H ASP 96 H ASP 96 17.176 -12.514 -0.283 626 HA ASP 96 HA ASP 96 19.266 -11.879 0.406 627 HB3 ASP 96 HB3 ASP 96 18.393 -9.070 0.934 628 H GLY 97 H GLY 97 17.262 -12.545 2.700 629 HA2 GLY 97 HA2 GLY 97 17.364 -12.719 5.001 630 HA3 GLY 97 HA3 GLY 97 18.977 -12.020 4.962 631 H LYS 98 H LYS 98 16.078 -10.320 3.644 632 HA LYS 98 HA LYS 98 16.375 -8.283 5.817 633 HB3 LYS 98 HB3 LYS 98 17.039 -7.644 3.492 634 HG3 LYS 98 HG3 LYS 98 14.742 -8.747 2.507 635 HD3 LYS 98 HD3 LYS 98 13.555 -6.917 3.875 636 HE3 LYS 98 HE3 LYS 98 13.088 -4.965 2.553 637 HZ1 LYS 98 HZ1 LYS 98 15.208 -3.794 2.678 638 HZ2 LYS 98 HZ2 LYS 98 16.031 -5.167 2.721 639 HZ3 LYS 98 HZ3 LYS 98 15.048 -4.743 4.004 640 H THR 99 H THR 99 14.525 -7.309 6.745 641 HA THR 99 HA THR 99 11.909 -8.424 5.897 642 HB THR 99 HB THR 99 11.164 -7.995 8.209 643 HG1 THR 99 HG1 THR 99 12.522 -7.496 9.745 644 HG21 THR 99 HG21 THR 99 11.837 -10.290 7.445 645 HG22 THR 99 HG22 THR 99 12.095 -10.027 9.182 646 HG23 THR 99 HG23 THR 99 13.472 -9.988 8.067 647 H ILE 100 H ILE 100 10.158 -6.612 6.845 648 HA ILE 100 HA ILE 100 10.925 -4.239 5.186 649 HB ILE 100 HB ILE 100 8.147 -5.286 5.770 650 HG13 ILE 100 HG13 ILE 100 8.310 -5.814 3.139 651 HG21 ILE 100 HG21 ILE 100 9.281 -3.188 3.903 652 HG22 ILE 100 HG22 ILE 100 7.614 -3.807 3.788 653 HG23 ILE 100 HG23 ILE 100 8.162 -2.974 5.247 654 HD11 ILE 100 HD11 ILE 100 10.187 -6.809 2.333 655 HD12 ILE 100 HD12 ILE 100 11.025 -5.662 3.400 656 HD13 ILE 100 HD13 ILE 100 10.747 -7.321 3.932 657 H ASN 101 H ASN 101 10.896 -2.273 6.226 658 HA ASN 101 HA ASN 101 10.534 -2.316 9.139 659 HB3 ASN 101 HB3 ASN 101 10.809 0.385 8.151 660 HD21 ASN 101 HD22 ASN 101 11.599 1.266 10.057 661 HD22 ASN 101 HD21 ASN 101 12.568 0.365 11.199 662 H VAL 102 H VAL 102 9.205 -0.582 10.214 663 HA VAL 102 HA VAL 102 6.505 -0.500 8.968 664 HB VAL 102 HB VAL 102 7.378 -0.824 11.871 665 HG11 VAL 102 HG11 VAL 102 4.952 -1.334 12.244 666 HG12 VAL 102 HG12 VAL 102 5.262 0.334 11.777 667 HG13 VAL 102 HG13 VAL 102 4.621 -0.820 10.576 668 HG21 VAL 102 HG21 VAL 102 7.805 -2.910 10.629 669 HG22 VAL 102 HG22 VAL 102 6.418 -3.109 11.691 670 HG23 VAL 102 HG23 VAL 102 6.161 -2.866 9.953 671 H GLU 103 H GLU 103 5.551 1.562 8.763 672 HA GLU 103 HA GLU 103 6.282 3.752 10.397 673 HB3 GLU 103 HB3 GLU 103 7.259 3.795 7.490 674 HG3 GLU 103 HG3 GLU 103 7.609 5.747 9.811 675 H PHE 104 H PHE 104 5.124 5.815 9.332 676 HA PHE 104 HA PHE 104 3.105 5.228 7.379 677 HB3 PHE 104 HB3 PHE 104 1.860 4.742 9.348 678 HD1 PHE 104 HD2 PHE 104 4.289 6.528 10.835 679 HD2 PHE 104 HD1 PHE 104 -0.016 6.569 10.613 680 HE1 PHE 104 HE2 PHE 104 4.186 7.263 13.155 681 HE2 PHE 104 HE1 PHE 104 -0.109 7.379 12.967 682 HZ PHE 104 HZ PHE 104 1.985 7.667 14.266 683 H ALA 105 H ALA 105 2.103 7.336 6.628 684 HA ALA 105 HA ALA 105 3.887 9.680 6.991 685 HB1 ALA 105 HB1 ALA 105 3.032 8.542 4.289 686 HB2 ALA 105 HB2 ALA 105 4.011 10.007 4.589 687 HB3 ALA 105 HB3 ALA 105 4.665 8.417 4.985 688 H LYS 106 H LYS 106 2.046 9.949 8.445 689 HA LYS 106 HA LYS 106 -0.648 10.106 7.510 690 HB3 LYS 106 HB3 LYS 106 0.520 10.894 10.191 691 HG3 LYS 106 HG3 LYS 106 -1.367 8.776 10.374 692 HD3 LYS 106 HD3 LYS 106 -2.178 11.596 11.049 693 HE3 LYS 106 HE3 LYS 106 -2.731 10.663 13.254 694 HZ1 LYS 106 HZ1 LYS 106 -3.826 8.853 11.197 695 HZ2 LYS 106 HZ2 LYS 106 -4.398 10.341 11.471 696 HZ3 LYS 106 HZ3 LYS 106 -4.507 9.197 12.650 697 H GLY 107 H GLY 107 -1.634 12.232 9.151 698 HA2 GLY 107 HA2 GLY 107 -0.244 14.530 9.384 699 HA3 GLY 107 HA3 GLY 107 -0.832 14.671 7.734 700 H SER 108 H SER 108 -3.265 14.204 7.470 701 HA SER 108 HA SER 108 -4.854 15.434 9.670 702 HB3 SER 108 HB3 SER 108 -6.151 16.384 7.531 703 HG SER 108 HG SER 108 -3.801 17.522 8.692 704 H LYS 109 H LYS 109 -7.337 15.178 8.893 705 HA LYS 109 HA LYS 109 -7.880 12.530 7.781 706 HB3 LYS 109 HB3 LYS 109 -7.690 11.994 10.004 707 HG3 LYS 109 HG3 LYS 109 -7.706 14.311 11.097 708 HD3 LYS 109 HD3 LYS 109 -10.664 13.600 11.240 709 HE3 LYS 109 HE3 LYS 109 -9.066 15.523 12.967 710 HZ1 LYS 109 HZ1 LYS 109 -11.126 15.773 14.116 711 HZ2 LYS 109 HZ2 LYS 109 -11.931 14.798 13.050 712 HZ3 LYS 109 HZ3 LYS 109 -11.321 16.241 12.549 713 H ARG 110 H ARG 110 -8.280 14.180 6.060 714 HA ARG 110 HA ARG 110 -10.897 15.579 6.408 715 HB3 ARG 110 HB3 ARG 110 -9.057 17.168 6.630 716 HG3 ARG 110 HG3 ARG 110 -8.189 16.129 3.897 717 HD3 ARG 110 HD3 ARG 110 -6.980 18.479 5.382 718 HE ARG 110 HE ARG 110 -5.547 17.133 3.826 719 HH11 ARG 110 HH11 ARG 110 -7.899 19.357 2.293 720 HH12 ARG 110 HH12 ARG 110 -6.945 19.603 0.885 721 HH21 ARG 110 HH22 ARG 110 -4.289 17.471 1.886 722 HH22 ARG 110 HH21 ARG 110 -4.796 18.743 0.801 723 H ASP 111 H ASP 111 -9.598 13.031 4.652 724 HA ASP 111 HA ASP 111 -10.718 13.804 2.036 725 HB3 ASP 111 HB3 ASP 111 -9.844 11.055 3.017 726 H MET 112 H MET 112 -12.552 12.689 1.188 727 HA MET 112 HA MET 112 -14.030 10.853 2.747 728 HB3 MET 112 HB3 MET 112 -15.982 12.971 1.959 729 HG3 MET 112 HG3 MET 112 -17.005 12.355 4.035 730 HE1 MET 112 HE1 MET 112 -17.494 11.193 1.116 731 HE2 MET 112 HE2 MET 112 -18.509 9.808 1.562 732 HE3 MET 112 HE3 MET 112 -18.699 11.346 2.422 733 H ALA 113 H ALA 113 -13.725 9.454 1.090 734 HA ALA 113 HA ALA 113 -15.039 9.909 -1.496 735 HB1 ALA 113 HB1 ALA 113 -12.692 10.850 -1.710 736 HB2 ALA 113 HB2 ALA 113 -12.067 9.263 -1.261 737 HB3 ALA 113 HB3 ALA 113 -12.986 9.455 -2.768 738 H SER 114 H SER 114 -14.229 7.676 -2.857 739 HA SER 114 HA SER 114 -14.009 5.342 -1.151 740 HB3 SER 114 HB3 SER 114 -15.673 4.236 -2.535 741 HG SER 114 HG SER 114 -17.512 5.183 -1.719 742 H ASN 115 H ASN 115 -13.430 3.489 -2.891 743 HA ASN 115 HA ASN 115 -12.950 4.201 -5.515 744 HB3 ASN 115 HB3 ASN 115 -10.632 4.904 -4.404 745 HD21 ASN 115 HD22 ASN 115 -10.633 3.293 -2.375 746 HD22 ASN 115 HD21 ASN 115 -9.853 1.725 -2.606 747 H GLU 116 H GLU 116 -12.167 2.046 -6.670 748 HA GLU 116 HA GLU 116 -12.104 -0.149 -7.006 749 HB3 GLU 116 HB3 GLU 116 -12.552 -0.764 -4.082 750 HG3 GLU 116 HG3 GLU 116 -10.758 -2.068 -6.164 751 H GLY 117 H GLY 117 -13.583 -1.892 -7.431 752 HA2 GLY 117 HA2 GLY 117 -15.866 -2.827 -6.642 753 HA3 GLY 117 HA3 GLY 117 -16.432 -1.195 -7.022 754 H SER 118 H SER 118 -15.000 -4.121 -8.444 755 HA SER 118 HA SER 118 -16.019 -3.263 -11.120 756 HB3 SER 118 HB3 SER 118 -14.677 -5.132 -11.998 757 HG SER 118 HG SER 118 -13.206 -3.426 -10.237 758 H ARG 119 H ARG 119 -17.479 -4.755 -12.219 759 HA ARG 119 HA ARG 119 -18.278 -7.160 -10.842 760 HB3 ARG 119 HB3 ARG 119 -20.343 -4.913 -11.084 761 HG3 ARG 119 HG3 ARG 119 -21.532 -6.965 -11.464 762 HD3 ARG 119 HD3 ARG 119 -19.886 -8.640 -10.847 763 HE ARG 119 HE ARG 119 -19.662 -7.272 -8.387 764 HH11 ARG 119 HH11 ARG 119 -19.612 -10.602 -9.594 765 HH12 ARG 119 HH12 ARG 119 -19.050 -11.276 -8.101 766 HH21 ARG 119 HH22 ARG 119 -18.664 -8.140 -6.498 767 HH22 ARG 119 HH21 ARG 119 -18.593 -9.851 -6.287 768 H ILE 120 H ILE 120 -17.690 -8.233 -12.722 769 HA ILE 120 HA ILE 120 -19.403 -7.943 -15.078 770 HB ILE 120 HB ILE 120 -17.373 -7.784 -16.537 771 HG13 ILE 120 HG13 ILE 120 -15.907 -7.615 -13.923 772 HG21 ILE 120 HG21 ILE 120 -17.262 -5.459 -16.518 773 HG22 ILE 120 HG22 ILE 120 -18.880 -5.888 -16.001 774 HG23 ILE 120 HG23 ILE 120 -17.682 -5.354 -14.800 775 HD11 ILE 120 HD11 ILE 120 -15.563 -9.551 -15.438 776 HD12 ILE 120 HD12 ILE 120 -15.129 -8.445 -16.761 777 HD13 ILE 120 HD13 ILE 120 -14.099 -8.569 -15.329 778 H SER 121 H SER 121 -18.355 -9.587 -16.817 779 HA SER 121 HA SER 121 -17.965 -12.186 -15.431 780 HB3 SER 121 HB3 SER 121 -19.813 -11.565 -17.770 781 HG SER 121 HG SER 121 -20.304 -13.622 -17.708 782 H ALA 122 H ALA 122 -15.685 -12.024 -15.935 783 HA ALA 122 HA ALA 122 -15.079 -12.594 -18.791 784 HB1 ALA 122 HB1 ALA 122 -12.903 -11.526 -18.489 785 HB2 ALA 122 HB2 ALA 122 -14.212 -10.358 -18.237 786 HB3 ALA 122 HB3 ALA 122 -13.343 -11.034 -16.838 787 H ALA 123 H ALA 123 -15.914 -14.604 -17.592 788 HA ALA 123 HA ALA 123 -14.220 -15.983 -15.700 789 HB1 ALA 123 HB1 ALA 123 -15.745 -17.894 -16.237 790 HB2 ALA 123 HB2 ALA 123 -16.604 -16.414 -15.751 791 HB3 ALA 123 HB3 ALA 123 -16.545 -16.884 -17.459 792 H SER 124 H SER 124 -15.162 -17.167 -18.966 793 HA SER 124 HA SER 124 -12.442 -17.134 -19.959 794 HB3 SER 124 HB3 SER 124 -12.350 -19.552 -20.444 795 HG SER 124 HG SER 124 -11.531 -18.851 -18.446 796 H VAL 125 H VAL 125 -12.353 -17.606 -22.227 797 HA VAL 125 HA VAL 125 -14.830 -18.190 -23.674 798 HB VAL 125 HB VAL 125 -12.993 -15.815 -24.244 799 HG11 VAL 125 HG11 VAL 125 -15.405 -16.860 -25.815 800 HG12 VAL 125 HG12 VAL 125 -14.514 -15.360 -26.161 801 HG13 VAL 125 HG13 VAL 125 -13.708 -16.917 -26.345 802 HG21 VAL 125 HG21 VAL 125 -15.061 -14.436 -24.031 803 HG22 VAL 125 HG22 VAL 125 -15.941 -15.875 -23.466 804 HG23 VAL 125 HG23 VAL 125 -14.597 -15.200 -22.517 805 H ALA 126 H ALA 126 -14.142 -20.170 -24.525 806 HA ALA 126 HA ALA 126 -11.798 -20.177 -26.236 807 HB1 ALA 126 HB1 ALA 126 -10.802 -20.920 -24.091 808 HB2 ALA 126 HB2 ALA 126 -12.081 -22.144 -23.908 809 HB3 ALA 126 HB3 ALA 126 -10.908 -22.274 -25.234 810 H SER 127 H SER 127 -12.538 -21.196 -28.086 811 HA SER 127 HA SER 127 -14.464 -23.411 -27.942 812 HB3 SER 127 HB3 SER 127 -15.917 -21.504 -27.685 813 HG SER 127 HG SER 127 -15.108 -20.424 -30.127 814 H THR 128 H THR 128 -11.626 -22.704 -29.147 815 HA THR 128 HA THR 128 -12.077 -22.702 -32.005 816 HB THR 128 HB THR 128 -9.530 -23.258 -30.420 817 HG1 THR 128 HG1 THR 128 -10.489 -20.731 -31.257 818 HG21 THR 128 HG21 THR 128 -8.406 -22.180 -32.352 819 HG22 THR 128 HG22 THR 128 -9.974 -22.015 -33.180 820 HG23 THR 128 HG23 THR 128 -9.299 -23.623 -32.849 821 H ALA 129 H ALA 129 -11.946 -24.457 -33.404 822 HA ALA 129 HA ALA 129 -10.736 -26.932 -32.570 823 HB1 ALA 129 HB1 ALA 129 -13.495 -26.871 -33.882 824 HB2 ALA 129 HB2 ALA 129 -12.525 -28.309 -33.525 825 HB3 ALA 129 HB3 ALA 129 -13.183 -27.343 -32.192 826 H ILE 130 H ILE 130 -10.509 -28.218 -34.794 827 HA ILE 130 HA ILE 130 -10.464 -26.626 -37.166 828 HB ILE 130 HB ILE 130 -7.811 -27.855 -36.239 829 HG13 ILE 130 HG13 ILE 130 -8.681 -24.951 -36.319 830 HG21 ILE 130 HG21 ILE 130 -8.555 -26.329 -38.775 831 HG22 ILE 130 HG22 ILE 130 -6.942 -26.960 -38.366 832 HG23 ILE 130 HG23 ILE 130 -8.269 -28.079 -38.659 833 HD11 ILE 130 HD11 ILE 130 -8.281 -26.042 -34.065 834 HD12 ILE 130 HD12 ILE 130 -6.637 -26.441 -34.596 835 HD13 ILE 130 HD13 ILE 130 -7.130 -24.746 -34.411 836 H ALA 131 H ALA 131 -11.677 -28.000 -38.152 837 HA ALA 131 HA ALA 131 -12.979 -29.705 -38.678 838 HB1 ALA 131 HB1 ALA 131 -12.398 -32.035 -38.500 839 HB2 ALA 131 HB2 ALA 131 -11.067 -31.190 -39.324 840 HB3 ALA 131 HB3 ALA 131 -10.924 -31.665 -37.607 Start of MODEL 4 1 H1 GLN 1 H1 GLN 1 36.458 2.746 -16.051 2 HA GLN 1 HA GLN 1 38.041 1.029 -15.615 3 HB3 GLN 1 HB3 GLN 1 40.410 1.392 -16.591 4 HG3 GLN 1 HG3 GLN 1 38.765 -0.520 -17.165 5 HE21 GLN 1 HE22 GLN 1 39.470 -0.712 -20.299 6 HE22 GLN 1 HE21 GLN 1 38.006 -0.058 -21.006 7 H ALA 2 H ALA 2 38.079 1.724 -13.603 8 HA ALA 2 HA ALA 2 39.920 3.371 -12.362 9 HB1 ALA 2 HB1 ALA 2 38.569 5.338 -11.800 10 HB2 ALA 2 HB2 ALA 2 38.653 5.266 -13.568 11 HB3 ALA 2 HB3 ALA 2 37.194 4.720 -12.719 12 H GLN 3 H GLN 3 39.076 3.775 -10.103 13 HA GLN 3 HA GLN 3 36.868 2.055 -9.158 14 HB3 GLN 3 HB3 GLN 3 39.772 2.093 -8.191 15 HG3 GLN 3 HG3 GLN 3 37.453 0.374 -7.224 16 HE21 GLN 3 HE22 GLN 3 38.663 -1.592 -7.810 17 HE22 GLN 3 HE21 GLN 3 40.110 -2.020 -6.878 18 H GLY 4 H GLY 4 36.368 2.773 -6.813 19 HA2 GLY 4 HA2 GLY 4 37.712 5.108 -5.794 20 HA3 GLY 4 HA3 GLY 4 36.109 5.523 -6.423 21 H VAL 5 H VAL 5 34.502 3.426 -5.682 22 HA VAL 5 HA VAL 5 34.801 3.198 -2.745 23 HB VAL 5 HB VAL 5 32.194 4.021 -4.055 24 HG11 VAL 5 HG11 VAL 5 33.201 4.057 -1.168 25 HG12 VAL 5 HG12 VAL 5 31.610 4.620 -1.696 26 HG13 VAL 5 HG13 VAL 5 32.029 2.909 -1.835 27 HG21 VAL 5 HG21 VAL 5 34.244 5.845 -2.720 28 HG22 VAL 5 HG22 VAL 5 33.673 5.930 -4.403 29 HG23 VAL 5 HG23 VAL 5 32.567 6.295 -3.087 30 H LEU 6 H LEU 6 34.365 1.211 -2.054 31 HA LEU 6 HA LEU 6 32.829 -0.749 -3.556 32 HB3 LEU 6 HB3 LEU 6 34.802 -0.883 -4.757 33 HG LEU 6 HG LEU 6 36.977 -1.706 -3.689 34 HD11 LEU 6 HD11 LEU 6 37.990 0.425 -3.809 35 HD12 LEU 6 HD12 LEU 6 36.497 1.278 -3.389 36 HD13 LEU 6 HD13 LEU 6 36.639 0.452 -4.951 37 HD21 LEU 6 HD21 LEU 6 35.999 -0.041 -1.338 38 HD22 LEU 6 HD22 LEU 6 37.639 -0.687 -1.564 39 HD23 LEU 6 HD23 LEU 6 36.284 -1.798 -1.335 40 H ALA 7 H ALA 7 32.538 0.489 -0.935 41 HA ALA 7 HA ALA 7 33.111 -1.760 0.936 42 HB1 ALA 7 HB1 ALA 7 32.739 1.193 1.574 43 HB2 ALA 7 HB2 ALA 7 33.102 -0.098 2.735 44 HB3 ALA 7 HB3 ALA 7 34.301 0.349 1.510 45 H SER 8 H SER 8 31.339 -1.331 2.918 46 HA SER 8 HA SER 8 28.651 -0.884 1.815 47 HB3 SER 8 HB3 SER 8 29.470 -3.444 3.255 48 HG SER 8 HG SER 8 27.409 -4.074 2.310 49 H GLN 9 H GLN 9 28.087 0.755 3.167 50 HA GLN 9 HA GLN 9 28.568 0.460 6.090 51 HB3 GLN 9 HB3 GLN 9 28.912 3.009 4.460 52 HG3 GLN 9 HG3 GLN 9 29.761 2.297 7.307 53 HE21 GLN 9 HE22 GLN 9 29.431 5.099 8.158 54 HE22 GLN 9 HE21 GLN 9 30.652 6.030 7.333 55 H ALA 10 H ALA 10 26.660 0.616 7.173 56 HA ALA 10 HA ALA 10 24.250 1.487 5.676 57 HB1 ALA 10 HB1 ALA 10 24.345 -0.794 6.649 58 HB2 ALA 10 HB2 ALA 10 24.548 -0.098 8.270 59 HB3 ALA 10 HB3 ALA 10 23.045 0.171 7.358 60 H LEU 11 H LEU 11 22.546 2.620 6.896 61 HA LEU 11 HA LEU 11 23.492 4.293 9.144 62 HB3 LEU 11 HB3 LEU 11 21.603 5.709 7.399 63 HG LEU 11 HG LEU 11 23.230 7.465 7.350 64 HD11 LEU 11 HD11 LEU 11 21.973 7.260 9.461 65 HD12 LEU 11 HD12 LEU 11 23.573 7.934 9.707 66 HD13 LEU 11 HD13 LEU 11 23.296 6.263 10.159 67 HD21 LEU 11 HD21 LEU 11 25.247 6.172 6.921 68 HD22 LEU 11 HD22 LEU 11 25.229 5.520 8.560 69 HD23 LEU 11 HD23 LEU 11 25.490 7.249 8.310 70 H SER 12 H SER 12 21.631 5.391 10.222 71 HA SER 12 HA SER 12 19.043 3.990 10.170 72 HB3 SER 12 HB3 SER 12 19.172 3.758 12.678 73 HG SER 12 HG SER 12 19.449 1.936 11.706 74 H GLN 13 H GLN 13 19.320 6.450 9.083 75 HA GLN 13 HA GLN 13 17.726 8.016 10.869 76 HB3 GLN 13 HB3 GLN 13 20.116 9.484 9.699 77 HG3 GLN 13 HG3 GLN 13 18.136 10.729 10.736 78 HE21 GLN 13 HE22 GLN 13 18.855 8.056 12.773 79 HE22 GLN 13 HE21 GLN 13 18.185 8.739 14.230 80 H GLY 14 H GLY 14 16.359 9.392 9.595 81 HA2 GLY 14 HA2 GLY 14 16.578 9.078 6.643 82 HA3 GLY 14 HA3 GLY 14 15.063 9.210 7.575 83 H SER 15 H SER 15 14.257 11.212 6.992 84 HA SER 15 HA SER 15 15.580 13.551 7.993 85 HB3 SER 15 HB3 SER 15 14.574 13.715 5.173 86 HG SER 15 HG SER 15 15.360 15.602 5.327 87 H GLU 16 H GLU 16 13.884 15.229 7.906 88 HA GLU 16 HA GLU 16 11.252 14.026 8.722 89 HB3 GLU 16 HB3 GLU 16 10.897 16.259 9.823 90 HG3 GLU 16 HG3 GLU 16 13.425 14.807 10.697 91 HA PRO 17 HA PRO 17 9.361 15.928 5.258 92 HB3 PRO 17 HB3 PRO 17 7.565 14.540 5.820 93 HG3 PRO 17 HG3 PRO 17 6.696 14.483 8.065 94 HD3 PRO 17 HD3 PRO 17 8.966 13.894 8.266 95 H SER 18 H SER 18 8.442 17.848 4.337 96 HA SER 18 HA SER 18 9.010 20.296 5.878 97 HB3 SER 18 HB3 SER 18 10.143 20.313 3.877 98 HG SER 18 HG SER 18 9.206 19.726 1.886 99 H SER 19 H SER 19 6.622 18.983 6.679 100 HA SER 19 HA SER 19 4.397 19.176 6.993 101 HB3 SER 19 HB3 SER 19 3.273 21.345 6.736 102 HG SER 19 HG SER 19 5.877 21.706 7.811 103 H GLU 20 H GLU 20 5.591 19.248 3.783 104 HA GLU 20 HA GLU 20 3.164 19.706 2.430 105 HB3 GLU 20 HB3 GLU 20 5.427 17.998 1.327 106 HG3 GLU 20 HG3 GLU 20 3.531 20.123 0.216 107 H ASN 21 H ASN 21 1.983 18.117 1.106 108 HA ASN 21 HA ASN 21 0.565 16.403 0.860 109 HB3 ASN 21 HB3 ASN 21 1.631 14.250 0.538 110 HD21 ASN 21 HD22 ASN 21 4.734 15.670 0.121 111 HD22 ASN 21 HD21 ASN 21 4.454 16.429 -1.420 112 H ALA 22 H ALA 22 -0.296 17.331 2.982 113 HA ALA 22 HA ALA 22 -0.345 15.543 5.296 114 HB1 ALA 22 HB1 ALA 22 -2.342 16.924 5.941 115 HB2 ALA 22 HB2 ALA 22 -0.856 17.878 5.763 116 HB3 ALA 22 HB3 ALA 22 -2.100 17.901 4.482 117 H ASN 23 H ASN 23 -1.046 13.555 4.870 118 HA ASN 23 HA ASN 23 -3.795 13.169 4.322 119 HB3 ASN 23 HB3 ASN 23 -1.788 12.010 2.337 120 HD21 ASN 23 HD22 ASN 23 -5.221 11.958 3.576 121 HD22 ASN 23 HD21 ASN 23 -5.680 10.734 2.417 122 H ASP 24 H ASP 24 -3.695 10.424 3.965 123 HA ASP 24 HA ASP 24 -2.400 9.335 6.392 124 HB3 ASP 24 HB3 ASP 24 -4.390 9.551 7.313 125 H THR 25 H THR 25 -0.951 8.152 5.430 126 HA THR 25 HA THR 25 -1.665 5.986 3.601 127 HB THR 25 HB THR 25 0.381 8.134 2.862 128 HG1 THR 25 HG1 THR 25 -2.321 7.987 2.410 129 HG21 THR 25 HG21 THR 25 0.538 7.065 0.725 130 HG22 THR 25 HG22 THR 25 -0.819 5.998 1.080 131 HG23 THR 25 HG23 THR 25 0.715 5.787 1.924 132 H ILE 26 H ILE 26 -0.043 4.320 3.816 133 HA ILE 26 HA ILE 26 1.838 4.733 6.111 134 HB ILE 26 HB ILE 26 0.284 2.421 4.975 135 HG13 ILE 26 HG13 ILE 26 -0.528 4.097 6.823 136 HG21 ILE 26 HG21 ILE 26 2.619 2.197 6.871 137 HG22 ILE 26 HG22 ILE 26 1.453 0.896 6.583 138 HG23 ILE 26 HG23 ILE 26 2.487 1.448 5.274 139 HD11 ILE 26 HD11 ILE 26 -0.699 1.094 7.195 140 HD12 ILE 26 HD12 ILE 26 -1.734 2.300 7.959 141 HD13 ILE 26 HD13 ILE 26 -1.757 2.119 6.189 142 H ILE 27 H ILE 27 4.059 3.793 5.926 143 HA ILE 27 HA ILE 27 4.940 3.512 3.104 144 HB ILE 27 HB ILE 27 5.549 5.694 4.295 145 HG13 ILE 27 HG13 ILE 27 7.594 3.944 2.929 146 HG21 ILE 27 HG21 ILE 27 6.078 4.834 6.494 147 HG22 ILE 27 HG22 ILE 27 7.480 3.953 5.843 148 HG23 ILE 27 HG23 ILE 27 7.432 5.728 5.818 149 HD11 ILE 27 HD11 ILE 27 5.923 5.118 1.533 150 HD12 ILE 27 HD12 ILE 27 6.288 6.652 2.365 151 HD13 ILE 27 HD13 ILE 27 7.504 5.907 1.340 152 H LEU 28 H LEU 28 6.827 2.018 2.954 153 HA LEU 28 HA LEU 28 7.156 0.158 5.273 154 HB3 LEU 28 HB3 LEU 28 7.749 -1.596 3.647 155 HG LEU 28 HG LEU 28 5.739 -2.389 2.880 156 HD11 LEU 28 HD11 LEU 28 4.869 -0.744 5.276 157 HD12 LEU 28 HD12 LEU 28 5.848 -2.209 5.378 158 HD13 LEU 28 HD13 LEU 28 4.210 -2.292 4.725 159 HD21 LEU 28 HD21 LEU 28 3.811 -1.227 2.308 160 HD22 LEU 28 HD22 LEU 28 5.109 -0.239 1.644 161 HD23 LEU 28 HD23 LEU 28 4.304 0.260 3.139 162 H ARG 29 H ARG 29 9.350 -0.419 5.626 163 HA ARG 29 HA ARG 29 11.363 1.054 3.969 164 HB3 ARG 29 HB3 ARG 29 12.538 1.752 5.916 165 HG3 ARG 29 HG3 ARG 29 9.577 2.175 6.576 166 HD3 ARG 29 HD3 ARG 29 10.571 4.375 7.506 167 HE ARG 29 HE ARG 29 9.858 2.151 8.880 168 HH11 ARG 29 HH11 ARG 29 12.335 4.649 9.423 169 HH12 ARG 29 HH12 ARG 29 12.371 4.407 11.123 170 HH21 ARG 29 HH22 ARG 29 9.833 1.933 11.104 171 HH22 ARG 29 HH21 ARG 29 10.976 2.784 12.113 172 H ASN 30 H ASN 30 13.479 0.133 4.086 173 HA ASN 30 HA ASN 30 15.040 -1.488 3.951 174 HB3 ASN 30 HB3 ASN 30 13.555 -3.154 5.955 175 HD21 ASN 30 HD22 ASN 30 14.726 -5.077 6.116 176 HD22 ASN 30 HD21 ASN 30 16.485 -5.179 6.102 177 H LEU 31 H LEU 31 13.670 -1.487 1.890 178 HA LEU 31 HA LEU 31 13.069 -4.338 1.267 179 HB3 LEU 31 HB3 LEU 31 11.865 -3.638 -0.703 180 HG LEU 31 HG LEU 31 10.668 -3.766 1.515 181 HD11 LEU 31 HD11 LEU 31 9.701 -1.233 1.928 182 HD12 LEU 31 HD12 LEU 31 11.448 -1.009 1.602 183 HD13 LEU 31 HD13 LEU 31 10.909 -2.150 2.839 184 HD21 LEU 31 HD21 LEU 31 9.536 -1.849 -0.585 185 HD22 LEU 31 HD22 LEU 31 8.571 -2.739 0.617 186 HD23 LEU 31 HD23 LEU 31 9.428 -3.626 -0.648 187 H ASN 32 H ASN 32 13.552 -4.689 -1.003 188 HA ASN 32 HA ASN 32 16.235 -3.565 -1.782 189 HB3 ASN 32 HB3 ASN 32 16.755 -5.699 -1.162 190 HD21 ASN 32 HD22 ASN 32 16.590 -7.963 -0.938 191 HD22 ASN 32 HD21 ASN 32 15.010 -8.681 -0.909 192 HA PRO 33 HA PRO 33 14.706 -2.552 -5.768 193 HB3 PRO 33 HB3 PRO 33 16.697 -2.048 -6.699 194 HG3 PRO 33 HG3 PRO 33 18.660 -2.985 -5.779 195 HD3 PRO 33 HD3 PRO 33 17.356 -2.402 -3.877 196 H HIS 34 H HIS 34 15.563 -5.918 -5.153 197 HA HIS 34 HA HIS 34 13.909 -6.905 -7.339 198 HB3 HIS 34 HB3 HIS 34 14.749 -9.153 -6.254 199 HD1 HIS 34 HD1 HIS 34 14.795 -8.816 -9.002 200 HD2 HIS 34 HD2 HIS 34 18.011 -7.305 -6.733 201 HE1 HIS 34 HE1 HIS 34 16.691 -8.302 -10.664 202 H SER 35 H SER 35 13.157 -6.161 -3.970 203 HA SER 35 HA SER 35 11.476 -8.049 -3.280 204 HB3 SER 35 HB3 SER 35 11.461 -5.089 -2.930 205 HG SER 35 HG SER 35 9.625 -6.496 -1.409 206 H THR 36 H THR 36 9.314 -8.453 -3.279 207 HA THR 36 HA THR 36 7.713 -7.749 -5.697 208 HB THR 36 HB THR 36 6.349 -9.835 -4.549 209 HG1 THR 36 HG1 THR 36 8.281 -10.196 -3.147 210 HG21 THR 36 HG21 THR 36 8.560 -10.043 -6.616 211 HG22 THR 36 HG22 THR 36 6.876 -9.602 -6.929 212 HG23 THR 36 HG23 THR 36 7.262 -11.235 -6.361 213 H MET 37 H MET 37 5.464 -7.287 -5.317 214 HA MET 37 HA MET 37 5.074 -5.605 -3.013 215 HB3 MET 37 HB3 MET 37 4.103 -5.524 -5.451 216 HG3 MET 37 HG3 MET 37 1.679 -6.714 -4.082 217 HE1 MET 37 HE1 MET 37 0.859 -4.206 -5.165 218 HE2 MET 37 HE2 MET 37 2.344 -3.874 -6.070 219 HE3 MET 37 HE3 MET 37 0.787 -3.893 -6.910 220 H ASP 38 H ASP 38 4.543 -8.945 -3.665 221 HA ASP 38 HA ASP 38 2.207 -9.474 -2.282 222 HB3 ASP 38 HB3 ASP 38 4.650 -11.292 -2.550 223 H SER 39 H SER 39 5.455 -9.226 -1.139 224 HA SER 39 HA SER 39 5.344 -10.150 1.522 225 HB3 SER 39 HB3 SER 39 6.707 -7.590 0.579 226 HG SER 39 HG SER 39 7.816 -9.538 2.323 227 H ILE 40 H ILE 40 4.291 -6.951 0.226 228 HA ILE 40 HA ILE 40 3.628 -5.962 2.847 229 HB ILE 40 HB ILE 40 2.847 -4.966 0.078 230 HG13 ILE 40 HG13 ILE 40 5.310 -4.553 1.776 231 HG21 ILE 40 HG21 ILE 40 1.369 -4.038 1.835 232 HG22 ILE 40 HG22 ILE 40 2.798 -3.516 2.750 233 HG23 ILE 40 HG23 ILE 40 2.413 -2.803 1.171 234 HD11 ILE 40 HD11 ILE 40 5.540 -5.712 -0.446 235 HD12 ILE 40 HD12 ILE 40 4.844 -4.271 -1.226 236 HD13 ILE 40 HD13 ILE 40 6.408 -4.172 -0.399 237 H LEU 41 H LEU 41 1.863 -7.564 0.224 238 HA LEU 41 HA LEU 41 -0.800 -7.269 1.282 239 HB3 LEU 41 HB3 LEU 41 -1.302 -9.307 -0.129 240 HG LEU 41 HG LEU 41 0.015 -6.940 -1.501 241 HD11 LEU 41 HD11 LEU 41 -1.231 -7.623 -3.485 242 HD12 LEU 41 HD12 LEU 41 -1.883 -9.026 -2.603 243 HD13 LEU 41 HD13 LEU 41 -0.146 -8.924 -2.955 244 HD21 LEU 41 HD21 LEU 41 -1.953 -6.227 -0.150 245 HD22 LEU 41 HD22 LEU 41 -2.926 -7.517 -0.883 246 HD23 LEU 41 HD23 LEU 41 -2.322 -6.163 -1.861 247 H GLY 42 H GLY 42 1.421 -10.099 1.358 248 HA2 GLY 42 HA2 GLY 42 -0.348 -11.680 2.787 249 HA3 GLY 42 HA3 GLY 42 1.387 -11.983 2.631 250 H ALA 43 H ALA 43 1.808 -9.265 4.119 251 HA ALA 43 HA ALA 43 1.775 -10.275 6.847 252 HB1 ALA 43 HB1 ALA 43 2.282 -7.549 5.605 253 HB2 ALA 43 HB2 ALA 43 2.202 -7.773 7.362 254 HB3 ALA 43 HB3 ALA 43 3.432 -8.614 6.439 255 H LEU 44 H LEU 44 -0.494 -8.385 4.881 256 HA LEU 44 HA LEU 44 -1.920 -7.564 7.379 257 HB3 LEU 44 HB3 LEU 44 -2.452 -5.506 6.233 258 HG LEU 44 HG LEU 44 0.483 -6.055 5.661 259 HD11 LEU 44 HD11 LEU 44 -0.264 -4.016 4.613 260 HD12 LEU 44 HD12 LEU 44 0.666 -3.565 6.051 261 HD13 LEU 44 HD13 LEU 44 -1.096 -3.499 6.089 262 HD21 LEU 44 HD21 LEU 44 0.932 -5.100 7.891 263 HD22 LEU 44 HD22 LEU 44 0.059 -6.611 7.997 264 HD23 LEU 44 HD23 LEU 44 -0.824 -5.115 8.235 265 H ALA 45 H ALA 45 -2.328 -9.300 4.487 266 HA ALA 45 HA ALA 45 -4.682 -8.587 3.430 267 HB1 ALA 45 HB1 ALA 45 -4.963 -10.893 2.643 268 HB2 ALA 45 HB2 ALA 45 -3.296 -10.323 2.500 269 HB3 ALA 45 HB3 ALA 45 -3.735 -11.448 3.795 270 HA PRO 46 HA PRO 46 -7.578 -11.029 6.245 271 HB3 PRO 46 HB3 PRO 46 -6.636 -12.876 7.270 272 HG3 PRO 46 HG3 PRO 46 -4.384 -12.773 8.123 273 HD3 PRO 46 HD3 PRO 46 -4.389 -12.195 5.807 274 H TYR 47 H TYR 47 -5.467 -8.521 7.432 275 HA TYR 47 HA TYR 47 -7.386 -7.636 9.510 276 HB3 TYR 47 HB3 TYR 47 -5.597 -6.390 10.429 277 HD1 TYR 47 HD1 TYR 47 -6.199 -9.370 10.820 278 HD2 TYR 47 HD2 TYR 47 -2.640 -7.352 9.435 279 HE1 TYR 47 HE1 TYR 47 -4.820 -11.280 11.568 280 HE2 TYR 47 HE2 TYR 47 -1.274 -9.234 10.166 281 HH TYR 47 HH TYR 47 -2.609 -12.188 11.681 282 H ALA 48 H ALA 48 -7.170 -7.267 6.303 283 HA ALA 48 HA ALA 48 -8.225 -4.505 6.266 284 HB1 ALA 48 HB1 ALA 48 -5.766 -4.362 5.802 285 HB2 ALA 48 HB2 ALA 48 -5.988 -5.486 4.442 286 HB3 ALA 48 HB3 ALA 48 -6.765 -3.877 4.428 287 H VAL 49 H VAL 49 -8.919 -4.201 3.722 288 HA VAL 49 HA VAL 49 -9.503 -6.729 2.442 289 HB VAL 49 HB VAL 49 -11.414 -6.340 3.825 290 HG11 VAL 49 HG11 VAL 49 -12.190 -3.938 2.185 291 HG12 VAL 49 HG12 VAL 49 -12.959 -4.658 3.604 292 HG13 VAL 49 HG13 VAL 49 -11.411 -3.827 3.780 293 HG21 VAL 49 HG21 VAL 49 -11.621 -7.604 1.762 294 HG22 VAL 49 HG22 VAL 49 -13.091 -6.662 2.060 295 HG23 VAL 49 HG23 VAL 49 -11.921 -6.115 0.846 296 H LEU 50 H LEU 50 -7.771 -6.083 1.261 297 HA LEU 50 HA LEU 50 -8.318 -4.102 -0.851 298 HB3 LEU 50 HB3 LEU 50 -7.342 -2.669 0.722 299 HG LEU 50 HG LEU 50 -6.219 -4.352 2.238 300 HD11 LEU 50 HD11 LEU 50 -3.982 -4.221 0.172 301 HD12 LEU 50 HD12 LEU 50 -4.872 -5.675 0.697 302 HD13 LEU 50 HD13 LEU 50 -3.826 -4.839 1.826 303 HD21 LEU 50 HD21 LEU 50 -4.489 -2.777 2.931 304 HD22 LEU 50 HD22 LEU 50 -5.955 -1.913 2.449 305 HD23 LEU 50 HD23 LEU 50 -4.562 -1.967 1.349 306 H SER 51 H SER 51 -6.034 -4.045 -2.227 307 HA SER 51 HA SER 51 -4.820 -6.646 -2.489 308 HB3 SER 51 HB3 SER 51 -5.628 -6.367 -5.112 309 HG SER 51 HG SER 51 -7.333 -7.654 -3.311 310 H SER 52 H SER 52 -3.669 -6.326 -4.913 311 HA SER 52 HA SER 52 -1.417 -4.905 -4.393 312 HB3 SER 52 HB3 SER 52 -1.525 -6.671 -6.000 313 HG SER 52 HG SER 52 -2.939 -5.027 -7.786 314 H SER 53 H SER 53 -4.396 -3.438 -5.748 315 HA SER 53 HA SER 53 -3.026 -1.257 -6.988 316 HB3 SER 53 HB3 SER 53 -5.741 -0.680 -5.954 317 HG SER 53 HG SER 53 -5.209 0.479 -7.706 318 H ASN 54 H ASN 54 -4.092 -1.870 -3.640 319 HA ASN 54 HA ASN 54 -3.642 0.842 -2.707 320 HB3 ASN 54 HB3 ASN 54 -3.635 -0.320 -0.437 321 HD21 ASN 54 HD22 ASN 54 -5.374 0.935 0.128 322 HD22 ASN 54 HD21 ASN 54 -6.980 0.754 -0.559 323 H VAL 55 H VAL 55 -1.794 -2.142 -2.807 324 HA VAL 55 HA VAL 55 0.500 -1.236 -1.308 325 HB VAL 55 HB VAL 55 -0.034 -3.663 -3.082 326 HG11 VAL 55 HG11 VAL 55 2.246 -3.205 -1.127 327 HG12 VAL 55 HG12 VAL 55 1.925 -4.690 -2.055 328 HG13 VAL 55 HG13 VAL 55 2.433 -3.202 -2.873 329 HG21 VAL 55 HG21 VAL 55 -0.058 -3.197 -0.074 330 HG22 VAL 55 HG22 VAL 55 -1.444 -3.650 -1.086 331 HG23 VAL 55 HG23 VAL 55 -0.121 -4.797 -0.813 332 H ARG 56 H ARG 56 1.158 0.673 -2.277 333 HA ARG 56 HA ARG 56 1.660 0.610 -5.166 334 HB3 ARG 56 HB3 ARG 56 2.235 3.073 -3.530 335 HG3 ARG 56 HG3 ARG 56 0.879 2.545 -6.172 336 HD3 ARG 56 HD3 ARG 56 2.628 4.850 -5.407 337 HE ARG 56 HE ARG 56 1.164 4.233 -7.782 338 HH11 ARG 56 HH11 ARG 56 1.497 6.883 -5.471 339 HH12 ARG 56 HH12 ARG 56 1.346 8.167 -6.645 340 HH21 ARG 56 HH22 ARG 56 0.681 6.027 -9.380 341 HH22 ARG 56 HH21 ARG 56 0.477 7.605 -8.715 342 H VAL 57 H VAL 57 3.398 -0.297 -5.754 343 HA VAL 57 HA VAL 57 5.896 -0.220 -4.152 344 HB VAL 57 HB VAL 57 5.179 -1.771 -6.675 345 HG11 VAL 57 HG11 VAL 57 7.681 -1.816 -4.925 346 HG12 VAL 57 HG12 VAL 57 7.303 -2.993 -6.198 347 HG13 VAL 57 HG13 VAL 57 7.590 -1.306 -6.622 348 HG21 VAL 57 HG21 VAL 57 3.992 -2.647 -4.732 349 HG22 VAL 57 HG22 VAL 57 5.364 -3.715 -5.095 350 HG23 VAL 57 HG23 VAL 57 5.467 -2.579 -3.741 351 H ILE 58 H ILE 58 6.888 1.702 -4.380 352 HA ILE 58 HA ILE 58 6.851 3.117 -6.950 353 HB ILE 58 HB ILE 58 8.640 3.768 -4.583 354 HG13 ILE 58 HG13 ILE 58 6.831 5.391 -3.851 355 HG21 ILE 58 HG21 ILE 58 7.495 5.398 -6.877 356 HG22 ILE 58 HG22 ILE 58 8.311 6.116 -5.487 357 HG23 ILE 58 HG23 ILE 58 9.198 5.011 -6.543 358 HD11 ILE 58 HD11 ILE 58 4.833 3.537 -5.186 359 HD12 ILE 58 HD12 ILE 58 4.558 5.080 -4.378 360 HD13 ILE 58 HD13 ILE 58 5.358 5.034 -5.963 361 H LYS 59 H LYS 59 8.614 3.364 -8.322 362 HA LYS 59 HA LYS 59 10.990 1.649 -7.858 363 HB3 LYS 59 HB3 LYS 59 10.866 1.023 -10.288 364 HG3 LYS 59 HG3 LYS 59 8.420 0.251 -8.612 365 HD3 LYS 59 HD3 LYS 59 8.529 -1.858 -9.893 366 HE3 LYS 59 HE3 LYS 59 8.053 0.610 -11.609 367 HZ1 LYS 59 HZ1 LYS 59 6.722 -2.025 -11.665 368 HZ2 LYS 59 HZ2 LYS 59 7.838 -1.507 -12.770 369 HZ3 LYS 59 HZ3 LYS 59 6.390 -0.729 -12.595 370 H ASP 60 H ASP 60 12.614 2.230 -9.687 371 HA ASP 60 HA ASP 60 13.227 5.057 -9.323 372 HB3 ASP 60 HB3 ASP 60 14.541 2.697 -10.682 373 H LYS 61 H LYS 61 14.357 6.115 -11.284 374 HA LYS 61 HA LYS 61 12.706 6.080 -13.744 375 HB3 LYS 61 HB3 LYS 61 14.266 8.246 -12.324 376 HG3 LYS 61 HG3 LYS 61 12.919 8.256 -15.037 377 HD3 LYS 61 HD3 LYS 61 12.503 10.283 -13.068 378 HE3 LYS 61 HE3 LYS 61 14.407 11.140 -15.298 379 HZ1 LYS 61 HZ1 LYS 61 14.037 13.350 -14.049 380 HZ2 LYS 61 HZ2 LYS 61 12.614 12.684 -13.549 381 HZ3 LYS 61 HZ3 LYS 61 12.918 12.896 -15.132 382 H GLN 62 H GLN 62 15.975 5.564 -12.367 383 HA GLN 62 HA GLN 62 17.239 5.705 -15.033 384 HB3 GLN 62 HB3 GLN 62 19.259 5.420 -13.974 385 HG3 GLN 62 HG3 GLN 62 17.721 6.665 -11.657 386 HE21 GLN 62 HE22 GLN 62 20.564 7.471 -13.769 387 HE22 GLN 62 HE21 GLN 62 21.725 7.364 -12.469 388 H THR 63 H THR 63 15.522 3.486 -13.150 389 HA THR 63 HA THR 63 16.272 1.165 -14.733 390 HB THR 63 HB THR 63 16.660 -0.218 -12.742 391 HG1 THR 63 HG1 THR 63 16.659 2.247 -11.314 392 HG21 THR 63 HG21 THR 63 18.855 0.507 -12.058 393 HG22 THR 63 HG22 THR 63 18.547 2.166 -12.609 394 HG23 THR 63 HG23 THR 63 18.656 0.836 -13.794 395 H GLN 64 H GLN 64 14.753 -0.734 -13.755 396 HA GLN 64 HA GLN 64 12.086 0.489 -13.264 397 HB3 GLN 64 HB3 GLN 64 11.183 -1.387 -14.639 398 HG3 GLN 64 HG3 GLN 64 12.070 -0.723 -16.880 399 HE21 GLN 64 HE22 GLN 64 12.245 2.252 -14.808 400 HE22 GLN 64 HE21 GLN 64 10.592 2.727 -15.188 401 H LEU 65 H LEU 65 13.902 -0.183 -11.253 402 HA LEU 65 HA LEU 65 12.816 -2.674 -10.005 403 HB3 LEU 65 HB3 LEU 65 14.958 -2.671 -8.737 404 HG LEU 65 HG LEU 65 15.120 -2.909 -11.751 405 HD11 LEU 65 HD11 LEU 65 17.113 -1.694 -11.047 406 HD12 LEU 65 HD12 LEU 65 17.533 -3.366 -11.519 407 HD13 LEU 65 HD13 LEU 65 17.432 -2.905 -9.794 408 HD21 LEU 65 HD21 LEU 65 15.798 -5.211 -11.173 409 HD22 LEU 65 HD22 LEU 65 14.257 -4.814 -10.396 410 HD23 LEU 65 HD23 LEU 65 15.757 -4.824 -9.444 411 H ASN 66 H ASN 66 12.952 -2.506 -7.649 412 HA ASN 66 HA ASN 66 11.527 -0.147 -6.724 413 HB3 ASN 66 HB3 ASN 66 11.340 -1.227 -4.606 414 HD21 ASN 66 HD22 ASN 66 11.865 -4.284 -4.893 415 HD22 ASN 66 HD21 ASN 66 10.548 -4.850 -5.893 416 H ARG 67 H ARG 67 12.284 1.047 -4.714 417 HA ARG 67 HA ARG 67 15.223 1.591 -4.673 418 HB3 ARG 67 HB3 ARG 67 14.444 3.969 -4.136 419 HG3 ARG 67 HG3 ARG 67 13.843 2.980 -6.925 420 HD3 ARG 67 HD3 ARG 67 14.130 5.645 -5.535 421 HE ARG 67 HE ARG 67 14.858 5.712 -8.362 422 HH11 ARG 67 HH11 ARG 67 16.230 5.889 -5.057 423 HH12 ARG 67 HH12 ARG 67 17.620 6.765 -5.616 424 HH21 ARG 67 HH22 ARG 67 16.657 6.595 -9.020 425 HH22 ARG 67 HH21 ARG 67 17.834 7.302 -7.964 426 H GLY 68 H GLY 68 13.857 -0.276 -2.979 427 HA2 GLY 68 HA2 GLY 68 14.160 -0.884 -0.802 428 HA3 GLY 68 HA3 GLY 68 15.057 0.608 -0.567 429 H PHE 69 H PHE 69 11.649 0.922 -1.568 430 HA PHE 69 HA PHE 69 10.601 0.834 1.122 431 HB3 PHE 69 HB3 PHE 69 11.612 3.174 0.891 432 HD1 PHE 69 HD1 PHE 69 12.039 3.539 -1.723 433 HD2 PHE 69 HD2 PHE 69 8.273 4.235 0.211 434 HE1 PHE 69 HE1 PHE 69 11.406 5.141 -3.536 435 HE2 PHE 69 HE2 PHE 69 7.649 5.851 -1.556 436 HZ PHE 69 HZ PHE 69 9.240 6.326 -3.421 437 H ALA 70 H ALA 70 8.129 1.548 0.942 438 HA ALA 70 HA ALA 70 7.131 1.790 -1.732 439 HB1 ALA 70 HB1 ALA 70 5.545 -0.102 -1.716 440 HB2 ALA 70 HB2 ALA 70 7.210 -0.674 -1.690 441 HB3 ALA 70 HB3 ALA 70 6.262 -0.705 -0.198 442 H PHE 71 H PHE 71 4.567 1.985 -1.561 443 HA PHE 71 HA PHE 71 3.882 3.562 0.885 444 HB3 PHE 71 HB3 PHE 71 2.205 4.481 -1.080 445 HD1 PHE 71 HD1 PHE 71 2.958 5.615 1.380 446 HD2 PHE 71 HD2 PHE 71 4.791 6.197 -2.481 447 HE1 PHE 71 HE1 PHE 71 3.767 7.812 2.100 448 HE2 PHE 71 HE2 PHE 71 5.592 8.416 -1.749 449 HZ PHE 71 HZ PHE 71 5.103 9.234 0.550 450 H ILE 72 H ILE 72 1.576 3.399 1.508 451 HA ILE 72 HA ILE 72 -0.036 1.352 0.084 452 HB ILE 72 HB ILE 72 0.270 1.593 3.080 453 HG13 ILE 72 HG13 ILE 72 2.103 0.316 2.068 454 HG21 ILE 72 HG21 ILE 72 -1.617 -0.088 1.378 455 HG22 ILE 72 HG22 ILE 72 -1.413 -0.287 3.134 456 HG23 ILE 72 HG23 ILE 72 -2.053 1.212 2.505 457 HD11 ILE 72 HD11 ILE 72 2.037 -1.524 3.574 458 HD12 ILE 72 HD12 ILE 72 1.027 -0.300 4.340 459 HD13 ILE 72 HD13 ILE 72 0.286 -1.666 3.475 460 H GLN 73 H GLN 73 -1.755 2.409 -0.659 461 HA GLN 73 HA GLN 73 -2.917 4.846 0.507 462 HB3 GLN 73 HB3 GLN 73 -4.853 4.138 -0.998 463 HG3 GLN 73 HG3 GLN 73 -2.175 4.467 -2.400 464 HE21 GLN 73 HE22 GLN 73 -2.435 4.334 -4.651 465 HE22 GLN 73 HE21 GLN 73 -4.001 4.384 -5.449 466 H LEU 74 H LEU 74 -4.402 4.886 2.142 467 HA LEU 74 HA LEU 74 -6.001 2.578 2.875 468 HB3 LEU 74 HB3 LEU 74 -4.574 3.676 5.217 469 HG LEU 74 HG LEU 74 -4.173 1.429 5.901 470 HD11 LEU 74 HD11 LEU 74 -6.412 0.584 6.145 471 HD12 LEU 74 HD12 LEU 74 -6.986 1.523 4.772 472 HD13 LEU 74 HD13 LEU 74 -6.406 2.351 6.242 473 HD21 LEU 74 HD21 LEU 74 -5.226 0.482 3.213 474 HD22 LEU 74 HD22 LEU 74 -4.843 -0.549 4.604 475 HD23 LEU 74 HD23 LEU 74 -3.567 0.380 3.814 476 H SER 75 H SER 75 -7.461 3.361 4.844 477 HA SER 75 HA SER 75 -8.362 6.136 4.324 478 HB3 SER 75 HB3 SER 75 -10.011 5.035 6.298 479 HG SER 75 HG SER 75 -10.798 4.277 3.853 480 H THR 76 H THR 76 -9.018 7.434 6.335 481 HA THR 76 HA THR 76 -6.671 8.119 7.525 482 HB THR 76 HB THR 76 -9.400 8.971 8.513 483 HG1 THR 76 HG1 THR 76 -8.109 9.456 6.048 484 HG21 THR 76 HG21 THR 76 -7.480 10.067 9.605 485 HG22 THR 76 HG22 THR 76 -8.366 11.217 8.587 486 HG23 THR 76 HG23 THR 76 -6.825 10.539 8.031 487 H ILE 77 H ILE 77 -9.485 6.712 9.346 488 HA ILE 77 HA ILE 77 -7.796 6.422 11.744 489 HB ILE 77 HB ILE 77 -10.633 5.530 11.076 490 HG13 ILE 77 HG13 ILE 77 -10.328 7.945 11.419 491 HG21 ILE 77 HG21 ILE 77 -9.111 5.182 13.704 492 HG22 ILE 77 HG22 ILE 77 -10.842 4.817 13.430 493 HG23 ILE 77 HG23 ILE 77 -9.627 3.874 12.606 494 HD11 ILE 77 HD11 ILE 77 -11.408 6.900 14.063 495 HD12 ILE 77 HD12 ILE 77 -11.766 8.429 13.267 496 HD13 ILE 77 HD13 ILE 77 -12.345 6.909 12.549 497 H GLU 78 H GLU 78 -8.926 4.455 9.035 498 HA GLU 78 HA GLU 78 -8.197 1.926 9.973 499 HB3 GLU 78 HB3 GLU 78 -8.186 1.314 7.541 500 HG3 GLU 78 HG3 GLU 78 -10.478 2.527 7.004 501 H ALA 79 H ALA 79 -6.208 4.409 8.395 502 HA ALA 79 HA ALA 79 -3.843 2.823 8.046 503 HB1 ALA 79 HB1 ALA 79 -2.706 4.938 7.723 504 HB2 ALA 79 HB2 ALA 79 -4.218 4.992 6.832 505 HB3 ALA 79 HB3 ALA 79 -4.095 5.854 8.359 506 H ALA 80 H ALA 80 -5.068 5.072 10.478 507 HA ALA 80 HA ALA 80 -2.762 5.146 12.076 508 HB1 ALA 80 HB1 ALA 80 -4.492 6.896 12.083 509 HB2 ALA 80 HB2 ALA 80 -5.654 5.768 12.830 510 HB3 ALA 80 HB3 ALA 80 -4.215 6.277 13.718 511 H GLN 81 H GLN 81 -5.792 3.248 12.512 512 HA GLN 81 HA GLN 81 -4.916 1.875 14.874 513 HB3 GLN 81 HB3 GLN 81 -7.267 2.137 14.016 514 HG3 GLN 81 HG3 GLN 81 -6.683 -0.392 12.467 515 HE21 GLN 81 HE22 GLN 81 -8.433 -0.808 10.714 516 HE22 GLN 81 HE21 GLN 81 -9.991 -0.062 10.911 517 H LEU 82 H LEU 82 -4.539 1.086 11.383 518 HA LEU 82 HA LEU 82 -3.540 -1.519 11.844 519 HB3 LEU 82 HB3 LEU 82 -2.380 -1.023 9.509 520 HG LEU 82 HG LEU 82 -5.398 -1.080 9.894 521 HD11 LEU 82 HD11 LEU 82 -5.580 -1.661 7.545 522 HD12 LEU 82 HD12 LEU 82 -3.815 -1.615 7.341 523 HD13 LEU 82 HD13 LEU 82 -4.725 -0.118 7.675 524 HD21 LEU 82 HD21 LEU 82 -5.158 -3.445 9.187 525 HD22 LEU 82 HD22 LEU 82 -4.259 -3.129 10.670 526 HD23 LEU 82 HD23 LEU 82 -3.391 -3.239 9.114 527 H LEU 83 H LEU 83 -1.771 1.636 11.803 528 HA LEU 83 HA LEU 83 0.824 0.690 11.816 529 HB3 LEU 83 HB3 LEU 83 -0.473 2.947 13.367 530 HG LEU 83 HG LEU 83 1.656 2.439 14.484 531 HD11 LEU 83 HD11 LEU 83 3.794 2.680 13.331 532 HD12 LEU 83 HD12 LEU 83 2.957 2.929 11.779 533 HD13 LEU 83 HD13 LEU 83 2.857 1.368 12.604 534 HD21 LEU 83 HD21 LEU 83 1.763 4.915 12.750 535 HD22 LEU 83 HD22 LEU 83 2.642 4.680 14.256 536 HD23 LEU 83 HD23 LEU 83 0.869 4.765 14.276 537 H GLN 84 H GLN 84 -1.458 0.695 14.580 538 HA GLN 84 HA GLN 84 0.633 -0.042 16.484 539 HB3 GLN 84 HB3 GLN 84 -1.465 -0.493 17.967 540 HG3 GLN 84 HG3 GLN 84 -0.051 1.616 17.996 541 HE21 GLN 84 HE22 GLN 84 -3.405 2.380 16.904 542 HE22 GLN 84 HE21 GLN 84 -2.893 3.406 15.589 543 H ILE 85 H ILE 85 -1.060 -1.761 14.180 544 HA ILE 85 HA ILE 85 -0.817 -4.382 15.551 545 HB ILE 85 HB ILE 85 -2.073 -3.647 12.893 546 HG13 ILE 85 HG13 ILE 85 -3.297 -2.578 14.757 547 HG21 ILE 85 HG21 ILE 85 -1.325 -6.025 13.082 548 HG22 ILE 85 HG22 ILE 85 -2.219 -6.185 14.594 549 HG23 ILE 85 HG23 ILE 85 -3.084 -5.955 13.076 550 HD11 ILE 85 HD11 ILE 85 -4.916 -5.003 13.967 551 HD12 ILE 85 HD12 ILE 85 -5.477 -3.405 14.478 552 HD13 ILE 85 HD13 ILE 85 -4.666 -3.587 12.915 553 H LEU 86 H LEU 86 0.362 -2.441 12.781 554 HA LEU 86 HA LEU 86 2.084 -4.462 11.627 555 HB3 LEU 86 HB3 LEU 86 3.285 -2.305 10.775 556 HG LEU 86 HG LEU 86 1.898 -3.771 9.367 557 HD11 LEU 86 HD11 LEU 86 -0.330 -3.501 10.465 558 HD12 LEU 86 HD12 LEU 86 -0.409 -3.025 8.766 559 HD13 LEU 86 HD13 LEU 86 -0.313 -1.782 10.002 560 HD21 LEU 86 HD21 LEU 86 1.474 -2.021 7.648 561 HD22 LEU 86 HD22 LEU 86 3.025 -1.798 8.465 562 HD23 LEU 86 HD23 LEU 86 1.645 -0.774 8.904 563 H GLN 87 H GLN 87 2.536 -2.170 14.278 564 HA GLN 87 HA GLN 87 5.357 -2.417 14.532 565 HB3 GLN 87 HB3 GLN 87 4.838 -1.857 16.987 566 HG3 GLN 87 HG3 GLN 87 3.813 0.394 16.446 567 HE21 GLN 87 HE22 GLN 87 5.238 2.247 15.451 568 HE22 GLN 87 HE21 GLN 87 6.929 1.827 15.329 569 H ALA 88 H ALA 88 2.958 -4.856 15.012 570 HA ALA 88 HA ALA 88 4.747 -6.426 16.787 571 HB1 ALA 88 HB1 ALA 88 2.689 -7.434 17.616 572 HB2 ALA 88 HB2 ALA 88 2.572 -5.667 17.731 573 HB3 ALA 88 HB3 ALA 88 1.725 -6.530 16.426 574 H LEU 89 H LEU 89 4.346 -6.353 13.504 575 HA LEU 89 HA LEU 89 4.705 -9.235 13.329 576 HB3 LEU 89 HB3 LEU 89 2.264 -9.056 13.356 577 HG LEU 89 HG LEU 89 2.313 -6.745 11.944 578 HD11 LEU 89 HD11 LEU 89 3.187 -7.685 9.836 579 HD12 LEU 89 HD12 LEU 89 1.526 -7.157 9.642 580 HD13 LEU 89 HD13 LEU 89 1.880 -8.891 9.813 581 HD21 LEU 89 HD21 LEU 89 -0.077 -7.224 11.382 582 HD22 LEU 89 HD22 LEU 89 0.384 -7.630 13.048 583 HD23 LEU 89 HD23 LEU 89 0.205 -8.926 11.840 584 H HIS 90 H HIS 90 5.072 -9.953 11.034 585 HA HIS 90 HA HIS 90 6.053 -7.959 9.163 586 HB3 HIS 90 HB3 HIS 90 8.277 -9.287 9.063 587 HD1 HIS 90 HD1 HIS 90 8.098 -8.124 12.753 588 HD2 HIS 90 HD2 HIS 90 8.741 -6.629 8.845 589 HE1 HIS 90 HE1 HIS 90 9.017 -5.790 13.006 590 HA PRO 91 HA PRO 91 4.444 -11.230 6.694 591 HB3 PRO 91 HB3 PRO 91 4.400 -9.783 4.922 592 HG3 PRO 91 HG3 PRO 91 6.163 -8.229 4.556 593 HD3 PRO 91 HD3 PRO 91 5.723 -7.889 6.826 594 HA PRO 92 HA PRO 92 7.272 -14.728 6.338 595 HB3 PRO 92 HB3 PRO 92 5.392 -16.058 6.100 596 HG3 PRO 92 HG3 PRO 92 3.519 -15.355 4.807 597 HD3 PRO 92 HD3 PRO 92 3.907 -13.671 6.409 598 H LEU 93 H LEU 93 6.417 -12.787 3.523 599 HA LEU 93 HA LEU 93 8.412 -13.963 1.811 600 HB3 LEU 93 HB3 LEU 93 7.363 -11.226 1.213 601 HG LEU 93 HG LEU 93 6.991 -12.010 -0.955 602 HD11 LEU 93 HD11 LEU 93 9.084 -12.831 -1.736 603 HD12 LEU 93 HD12 LEU 93 9.473 -13.598 -0.192 604 HD13 LEU 93 HD13 LEU 93 9.453 -11.825 -0.324 605 HD21 LEU 93 HD21 LEU 93 7.101 -14.791 0.263 606 HD22 LEU 93 HD22 LEU 93 7.105 -14.491 -1.498 607 HD23 LEU 93 HD23 LEU 93 5.736 -13.974 -0.499 608 H THR 94 H THR 94 10.520 -13.753 2.279 609 HA THR 94 HA THR 94 11.659 -11.114 3.039 610 HB THR 94 HB THR 94 12.653 -13.722 4.050 611 HG1 THR 94 HG1 THR 94 10.566 -13.458 4.888 612 HG21 THR 94 HG21 THR 94 14.160 -11.784 4.105 613 HG22 THR 94 HG22 THR 94 13.772 -12.326 5.743 614 HG23 THR 94 HG23 THR 94 12.975 -10.882 5.082 615 H ILE 95 H ILE 95 11.840 -11.087 0.789 616 HA ILE 95 HA ILE 95 13.373 -13.032 -0.756 617 HB ILE 95 HB ILE 95 11.584 -11.591 -1.836 618 HG13 ILE 95 HG13 ILE 95 14.350 -11.107 -3.018 619 HG21 ILE 95 HG21 ILE 95 13.313 -9.228 -1.966 620 HG22 ILE 95 HG22 ILE 95 11.540 -9.400 -1.850 621 HG23 ILE 95 HG23 ILE 95 12.529 -9.498 -0.408 622 HD11 ILE 95 HD11 ILE 95 12.364 -13.371 -3.487 623 HD12 ILE 95 HD12 ILE 95 13.779 -13.021 -4.502 624 HD13 ILE 95 HD13 ILE 95 14.009 -13.525 -2.824 625 H ASP 96 H ASP 96 15.510 -12.954 -1.172 626 HA ASP 96 HA ASP 96 17.755 -12.626 -0.626 627 HB3 ASP 96 HB3 ASP 96 17.118 -9.778 -1.286 628 H GLY 97 H GLY 97 16.325 -12.755 1.735 629 HA2 GLY 97 HA2 GLY 97 16.543 -12.367 3.971 630 HA3 GLY 97 HA3 GLY 97 18.057 -11.552 3.601 631 H LYS 98 H LYS 98 15.285 -9.975 2.082 632 HA LYS 98 HA LYS 98 15.789 -7.796 4.021 633 HB3 LYS 98 HB3 LYS 98 14.318 -6.436 2.417 634 HG3 LYS 98 HG3 LYS 98 16.153 -5.960 0.908 635 HD3 LYS 98 HD3 LYS 98 17.034 -6.189 3.825 636 HE3 LYS 98 HE3 LYS 98 18.033 -3.933 3.130 637 HZ1 LYS 98 HZ1 LYS 98 20.087 -4.987 2.388 638 HZ2 LYS 98 HZ2 LYS 98 19.378 -6.430 2.237 639 HZ3 LYS 98 HZ3 LYS 98 19.488 -5.736 3.718 640 H THR 99 H THR 99 14.829 -7.993 5.733 641 HA THR 99 HA THR 99 12.033 -8.750 6.155 642 HB THR 99 HB THR 99 12.808 -7.767 8.487 643 HG1 THR 99 HG1 THR 99 15.084 -7.825 8.719 644 HG21 THR 99 HG21 THR 99 13.846 -9.912 9.069 645 HG22 THR 99 HG22 THR 99 14.125 -10.273 7.348 646 HG23 THR 99 HG23 THR 99 12.465 -10.166 7.985 647 H ILE 100 H ILE 100 10.379 -7.280 6.255 648 HA ILE 100 HA ILE 100 10.849 -4.570 5.302 649 HB ILE 100 HB ILE 100 8.285 -5.743 6.480 650 HG13 ILE 100 HG13 ILE 100 7.565 -6.395 4.287 651 HG21 ILE 100 HG21 ILE 100 7.246 -4.099 4.766 652 HG22 ILE 100 HG22 ILE 100 7.903 -3.424 6.235 653 HG23 ILE 100 HG23 ILE 100 8.851 -3.332 4.721 654 HD11 ILE 100 HD11 ILE 100 9.232 -6.404 2.362 655 HD12 ILE 100 HD12 ILE 100 8.495 -4.843 2.737 656 HD13 ILE 100 HD13 ILE 100 10.144 -5.181 3.274 657 H ASN 101 H ASN 101 9.918 -2.635 6.549 658 HA ASN 101 HA ASN 101 9.863 -2.928 9.485 659 HB3 ASN 101 HB3 ASN 101 10.686 -0.288 8.394 660 HD21 ASN 101 HD22 ASN 101 13.106 -0.136 9.919 661 HD22 ASN 101 HD21 ASN 101 12.594 -0.072 11.596 662 H VAL 102 H VAL 102 8.487 -1.368 10.405 663 HA VAL 102 HA VAL 102 6.231 -0.506 8.741 664 HB VAL 102 HB VAL 102 5.576 -1.868 10.531 665 HG11 VAL 102 HG11 VAL 102 7.548 -2.008 11.914 666 HG12 VAL 102 HG12 VAL 102 7.351 -0.307 12.437 667 HG13 VAL 102 HG13 VAL 102 6.169 -1.560 12.883 668 HG21 VAL 102 HG21 VAL 102 5.173 0.928 11.646 669 HG22 VAL 102 HG22 VAL 102 4.149 0.124 10.430 670 HG23 VAL 102 HG23 VAL 102 4.254 -0.522 12.072 671 H GLU 103 H GLU 103 5.434 1.724 8.901 672 HA GLU 103 HA GLU 103 6.117 3.594 10.722 673 HB3 GLU 103 HB3 GLU 103 7.836 3.893 8.226 674 HG3 GLU 103 HG3 GLU 103 6.891 6.027 10.140 675 H PHE 104 H PHE 104 4.907 5.625 10.270 676 HA PHE 104 HA PHE 104 2.784 5.175 8.232 677 HB3 PHE 104 HB3 PHE 104 2.658 6.293 11.043 678 HD1 PHE 104 HD1 PHE 104 0.777 6.047 7.824 679 HD2 PHE 104 HD2 PHE 104 0.474 6.702 12.080 680 HE1 PHE 104 HE1 PHE 104 -1.507 6.869 7.535 681 HE2 PHE 104 HE2 PHE 104 -1.863 7.444 11.789 682 HZ PHE 104 HZ PHE 104 -2.878 7.519 9.516 683 H ALA 105 H ALA 105 3.170 6.587 6.590 684 HA ALA 105 HA ALA 105 4.480 9.149 6.960 685 HB1 ALA 105 HB1 ALA 105 4.936 7.757 5.001 686 HB2 ALA 105 HB2 ALA 105 3.220 7.846 4.514 687 HB3 ALA 105 HB3 ALA 105 4.235 9.303 4.518 688 H LYS 106 H LYS 106 1.993 8.985 8.468 689 HA LYS 106 HA LYS 106 0.092 10.709 7.061 690 HB3 LYS 106 HB3 LYS 106 0.200 9.450 9.778 691 HG3 LYS 106 HG3 LYS 106 -1.132 12.111 9.225 692 HD3 LYS 106 HD3 LYS 106 -2.373 9.782 10.653 693 HE3 LYS 106 HE3 LYS 106 -2.451 12.694 11.484 694 HZ1 LYS 106 HZ1 LYS 106 -4.283 11.800 12.967 695 HZ2 LYS 106 HZ2 LYS 106 -4.509 10.615 11.863 696 HZ3 LYS 106 HZ3 LYS 106 -4.680 12.199 11.417 697 H GLY 107 H GLY 107 0.255 12.778 6.939 698 HA2 GLY 107 HA2 GLY 107 2.531 14.243 7.595 699 HA3 GLY 107 HA3 GLY 107 0.949 14.934 7.183 700 H SER 108 H SER 108 -0.719 14.856 9.072 701 HA SER 108 HA SER 108 0.347 15.155 11.736 702 HB3 SER 108 HB3 SER 108 -0.642 17.658 10.292 703 HG SER 108 HG SER 108 0.895 18.360 12.114 704 H LYS 109 H LYS 109 -1.478 16.390 13.003 705 HA LYS 109 HA LYS 109 -4.064 15.043 12.665 706 HB3 LYS 109 HB3 LYS 109 -3.029 17.200 14.569 707 HG3 LYS 109 HG3 LYS 109 -5.598 15.570 14.795 708 HD3 LYS 109 HD3 LYS 109 -6.019 17.168 16.705 709 HE3 LYS 109 HE3 LYS 109 -3.567 15.407 17.104 710 HZ1 LYS 109 HZ1 LYS 109 -4.112 16.783 19.033 711 HZ2 LYS 109 HZ2 LYS 109 -4.380 15.211 19.339 712 HZ3 LYS 109 HZ3 LYS 109 -5.664 16.203 19.031 713 H ARG 110 H ARG 110 -5.730 15.858 11.413 714 HA ARG 110 HA ARG 110 -6.289 18.649 11.620 715 HB3 ARG 110 HB3 ARG 110 -6.134 17.490 8.794 716 HG3 ARG 110 HG3 ARG 110 -6.731 20.311 9.833 717 HD3 ARG 110 HD3 ARG 110 -7.144 20.749 7.342 718 HE ARG 110 HE ARG 110 -4.893 21.326 8.739 719 HH11 ARG 110 HH11 ARG 110 -5.669 20.595 5.329 720 HH12 ARG 110 HH12 ARG 110 -4.375 21.594 4.734 721 HH21 ARG 110 HH22 ARG 110 -3.070 22.566 7.832 722 HH22 ARG 110 HH21 ARG 110 -2.788 22.411 6.131 723 H ASP 111 H ASP 111 -8.560 18.981 10.756 724 HA ASP 111 HA ASP 111 -10.321 16.714 11.442 725 HB3 ASP 111 HB3 ASP 111 -10.117 18.202 13.286 726 H MET 112 H MET 112 -10.619 16.222 9.159 727 HA MET 112 HA MET 112 -12.828 17.773 8.040 728 HB3 MET 112 HB3 MET 112 -10.448 17.140 6.255 729 HG3 MET 112 HG3 MET 112 -12.855 18.994 6.026 730 HE1 MET 112 HE1 MET 112 -13.282 20.538 4.192 731 HE2 MET 112 HE2 MET 112 -12.521 20.460 2.580 732 HE3 MET 112 HE3 MET 112 -13.492 19.098 3.194 733 H ALA 113 H ALA 113 -14.050 16.488 6.551 734 HA ALA 113 HA ALA 113 -13.202 13.993 5.489 735 HB1 ALA 113 HB1 ALA 113 -15.071 12.652 6.423 736 HB2 ALA 113 HB2 ALA 113 -14.003 13.189 7.725 737 HB3 ALA 113 HB3 ALA 113 -15.562 14.014 7.446 738 H SER 114 H SER 114 -15.342 13.205 4.115 739 HA SER 114 HA SER 114 -17.650 14.767 3.964 740 HB3 SER 114 HB3 SER 114 -17.238 15.023 1.433 741 HG SER 114 HG SER 114 -16.122 16.616 3.484 742 H ASN 115 H ASN 115 -18.856 13.572 1.836 743 HA ASN 115 HA ASN 115 -17.619 10.972 1.289 744 HB3 ASN 115 HB3 ASN 115 -19.997 9.861 1.587 745 HD21 ASN 115 HD22 ASN 115 -17.895 8.544 1.751 746 HD22 ASN 115 HD21 ASN 115 -17.254 8.233 3.342 747 H GLU 116 H GLU 116 -20.551 12.918 0.784 748 HA GLU 116 HA GLU 116 -21.986 13.142 -0.873 749 HB3 GLU 116 HB3 GLU 116 -20.295 14.661 -1.753 750 HG3 GLU 116 HG3 GLU 116 -19.344 12.175 -3.163 751 H GLY 117 H GLY 117 -22.188 12.172 -3.558 752 HA2 GLY 117 HA2 GLY 117 -21.812 9.405 -3.848 753 HA3 GLY 117 HA3 GLY 117 -23.305 9.631 -2.926 754 H SER 118 H SER 118 -21.660 10.154 -5.995 755 HA SER 118 HA SER 118 -24.148 10.768 -7.379 756 HB3 SER 118 HB3 SER 118 -23.815 12.956 -6.804 757 HG SER 118 HG SER 118 -21.023 12.995 -7.020 758 H ARG 119 H ARG 119 -24.027 9.681 -9.273 759 HA ARG 119 HA ARG 119 -21.395 9.210 -10.558 760 HB3 ARG 119 HB3 ARG 119 -23.290 6.945 -9.794 761 HG3 ARG 119 HG3 ARG 119 -21.248 5.555 -10.267 762 HD3 ARG 119 HD3 ARG 119 -22.048 6.801 -12.903 763 HE ARG 119 HE ARG 119 -20.875 4.328 -12.035 764 HH11 ARG 119 HH11 ARG 119 -22.884 5.681 -14.730 765 HH12 ARG 119 HH12 ARG 119 -22.677 4.237 -15.663 766 HH21 ARG 119 HH22 ARG 119 -20.780 2.422 -13.365 767 HH22 ARG 119 HH21 ARG 119 -21.518 2.486 -14.942 768 H ILE 120 H ILE 120 -22.179 10.718 -12.071 769 HA ILE 120 HA ILE 120 -23.937 9.404 -14.075 770 HB ILE 120 HB ILE 120 -23.910 12.358 -13.359 771 HG13 ILE 120 HG13 ILE 120 -26.211 12.171 -12.739 772 HG21 ILE 120 HG21 ILE 120 -25.687 12.617 -15.103 773 HG22 ILE 120 HG22 ILE 120 -24.084 12.269 -15.745 774 HG23 ILE 120 HG23 ILE 120 -25.305 10.979 -15.680 775 HD11 ILE 120 HD11 ILE 120 -27.399 10.008 -12.536 776 HD12 ILE 120 HD12 ILE 120 -27.126 10.449 -14.226 777 HD13 ILE 120 HD13 ILE 120 -26.117 9.205 -13.452 778 H SER 121 H SER 121 -23.135 9.481 -16.118 779 HA SER 121 HA SER 121 -21.196 11.346 -17.045 780 HB3 SER 121 HB3 SER 121 -19.683 9.695 -16.303 781 HG SER 121 HG SER 121 -20.318 7.427 -17.438 782 H ALA 122 H ALA 122 -21.326 11.237 -19.498 783 HA ALA 122 HA ALA 122 -23.555 9.656 -20.586 784 HB1 ALA 122 HB1 ALA 122 -24.575 11.659 -21.634 785 HB2 ALA 122 HB2 ALA 122 -24.618 11.787 -19.866 786 HB3 ALA 122 HB3 ALA 122 -23.409 12.702 -20.798 787 H ALA 123 H ALA 123 -23.545 9.754 -22.981 788 HA ALA 123 HA ALA 123 -21.001 10.607 -24.220 789 HB1 ALA 123 HB1 ALA 123 -20.534 8.315 -23.541 790 HB2 ALA 123 HB2 ALA 123 -22.043 7.734 -24.268 791 HB3 ALA 123 HB3 ALA 123 -20.744 8.378 -25.300 792 H SER 124 H SER 124 -23.610 8.434 -25.446 793 HA SER 124 HA SER 124 -24.712 10.587 -27.122 794 HB3 SER 124 HB3 SER 124 -22.878 9.881 -28.491 795 HG SER 124 HG SER 124 -23.609 7.216 -27.810 796 H VAL 125 H VAL 125 -26.771 9.958 -28.057 797 HA VAL 125 HA VAL 125 -27.905 7.375 -27.210 798 HB VAL 125 HB VAL 125 -29.181 10.120 -26.795 799 HG11 VAL 125 HG11 VAL 125 -30.278 7.325 -26.216 800 HG12 VAL 125 HG12 VAL 125 -31.061 8.860 -25.781 801 HG13 VAL 125 HG13 VAL 125 -30.858 8.434 -27.480 802 HG21 VAL 125 HG21 VAL 125 -28.239 8.053 -24.759 803 HG22 VAL 125 HG22 VAL 125 -27.583 9.687 -24.998 804 HG23 VAL 125 HG23 VAL 125 -29.220 9.487 -24.379 805 H ALA 126 H ALA 126 -28.516 6.436 -29.126 806 HA ALA 126 HA ALA 126 -29.956 7.969 -31.132 807 HB1 ALA 126 HB1 ALA 126 -28.568 7.076 -32.976 808 HB2 ALA 126 HB2 ALA 126 -27.625 8.173 -31.950 809 HB3 ALA 126 HB3 ALA 126 -27.415 6.411 -31.801 810 H SER 127 H SER 127 -31.505 6.660 -31.989 811 HA SER 127 HA SER 127 -31.367 3.726 -31.654 812 HB3 SER 127 HB3 SER 127 -32.429 4.524 -29.631 813 HG SER 127 HG SER 127 -34.420 5.766 -31.184 814 H THR 128 H THR 128 -30.885 5.169 -34.012 815 HA THR 128 HA THR 128 -33.179 4.364 -35.631 816 HB THR 128 HB THR 128 -33.520 6.773 -35.031 817 HG1 THR 128 HG1 THR 128 -34.432 6.178 -36.900 818 HG21 THR 128 HG21 THR 128 -32.136 8.512 -36.038 819 HG22 THR 128 HG22 THR 128 -31.020 7.301 -36.693 820 HG23 THR 128 HG23 THR 128 -31.155 7.533 -34.935 821 H ALA 129 H ALA 129 -32.446 4.542 -38.058 822 HA ALA 129 HA ALA 129 -29.662 4.214 -38.615 823 HB1 ALA 129 HB1 ALA 129 -31.536 1.796 -38.823 824 HB2 ALA 129 HB2 ALA 129 -29.872 1.870 -39.426 825 HB3 ALA 129 HB3 ALA 129 -30.175 1.945 -37.682 826 H ILE 130 H ILE 130 -29.702 3.354 -41.069 827 HA ILE 130 HA ILE 130 -31.830 4.723 -42.590 828 HB ILE 130 HB ILE 130 -29.510 5.164 -43.258 829 HG13 ILE 130 HG13 ILE 130 -31.445 5.022 -44.911 830 HG21 ILE 130 HG21 ILE 130 -29.256 2.187 -43.867 831 HG22 ILE 130 HG22 ILE 130 -28.049 3.435 -44.224 832 HG23 ILE 130 HG23 ILE 130 -28.425 3.040 -42.550 833 HD11 ILE 130 HD11 ILE 130 -28.691 4.533 -46.113 834 HD12 ILE 130 HD12 ILE 130 -30.080 5.317 -46.880 835 HD13 ILE 130 HD13 ILE 130 -29.278 6.102 -45.504 836 H ALA 131 H ALA 131 -32.872 3.311 -44.332 837 HA ALA 131 HA ALA 131 -32.619 0.502 -44.201 838 HB1 ALA 131 HB1 ALA 131 -35.072 0.148 -44.143 839 HB2 ALA 131 HB2 ALA 131 -34.501 0.798 -42.588 840 HB3 ALA 131 HB3 ALA 131 -35.326 1.861 -43.763 Start of MODEL 5 1 H1 GLN 1 H1 GLN 1 -40.390 66.237 16.170 2 HA GLN 1 HA GLN 1 -41.839 66.715 18.069 3 HB3 GLN 1 HB3 GLN 1 -43.905 66.981 15.856 4 HG3 GLN 1 HG3 GLN 1 -44.579 68.158 18.450 5 HE21 GLN 1 HE22 GLN 1 -45.550 65.092 16.805 6 HE22 GLN 1 HE21 GLN 1 -47.162 65.691 16.377 7 H ALA 2 H ALA 2 -40.673 64.344 17.857 8 HA ALA 2 HA ALA 2 -42.879 62.617 18.453 9 HB1 ALA 2 HB1 ALA 2 -42.557 62.035 16.051 10 HB2 ALA 2 HB2 ALA 2 -40.827 61.726 16.371 11 HB3 ALA 2 HB3 ALA 2 -42.075 60.707 17.122 12 H GLN 3 H GLN 3 -42.072 60.723 19.661 13 HA GLN 3 HA GLN 3 -39.362 60.263 20.197 14 HB3 GLN 3 HB3 GLN 3 -41.016 61.242 22.586 15 HG3 GLN 3 HG3 GLN 3 -38.089 60.446 22.246 16 HE21 GLN 3 HE22 GLN 3 -37.162 62.615 22.681 17 HE22 GLN 3 HE21 GLN 3 -37.340 63.265 24.303 18 H GLY 4 H GLY 4 -39.421 58.242 21.924 19 HA2 GLY 4 HA2 GLY 4 -41.817 56.892 22.429 20 HA3 GLY 4 HA3 GLY 4 -41.153 56.307 20.885 21 H VAL 5 H VAL 5 -40.965 54.257 22.304 22 HA VAL 5 HA VAL 5 -38.602 54.035 23.956 23 HB VAL 5 HB VAL 5 -39.088 51.587 23.629 24 HG11 VAL 5 HG11 VAL 5 -40.995 51.503 25.163 25 HG12 VAL 5 HG12 VAL 5 -39.881 52.799 25.626 26 HG13 VAL 5 HG13 VAL 5 -41.404 53.193 24.798 27 HG21 VAL 5 HG21 VAL 5 -40.395 51.719 21.494 28 HG22 VAL 5 HG22 VAL 5 -41.227 50.821 22.767 29 HG23 VAL 5 HG23 VAL 5 -41.739 52.473 22.384 30 H LEU 6 H LEU 6 -36.897 52.813 23.096 31 HA LEU 6 HA LEU 6 -36.416 52.932 20.161 32 HB3 LEU 6 HB3 LEU 6 -34.173 53.924 20.581 33 HG LEU 6 HG LEU 6 -36.294 55.744 21.797 34 HD11 LEU 6 HD11 LEU 6 -34.697 57.521 21.136 35 HD12 LEU 6 HD12 LEU 6 -33.548 56.286 20.593 36 HD13 LEU 6 HD13 LEU 6 -33.990 56.420 22.316 37 HD21 LEU 6 HD21 LEU 6 -36.406 56.735 19.518 38 HD22 LEU 6 HD22 LEU 6 -36.957 55.068 19.510 39 HD23 LEU 6 HD23 LEU 6 -35.335 55.460 18.904 40 H ALA 7 H ALA 7 -34.437 51.688 19.571 41 HA ALA 7 HA ALA 7 -32.994 50.278 21.596 42 HB1 ALA 7 HB1 ALA 7 -33.258 48.032 20.549 43 HB2 ALA 7 HB2 ALA 7 -34.812 48.612 21.177 44 HB3 ALA 7 HB3 ALA 7 -34.473 48.687 19.430 45 H SER 8 H SER 8 -31.035 49.310 20.558 46 HA SER 8 HA SER 8 -30.453 49.474 17.797 47 HB3 SER 8 HB3 SER 8 -28.418 51.049 18.238 48 HG SER 8 HG SER 8 -31.119 51.864 18.071 49 H GLN 9 H GLN 9 -28.086 48.578 17.562 50 HA GLN 9 HA GLN 9 -27.032 47.231 19.893 51 HB3 GLN 9 HB3 GLN 9 -28.904 45.738 19.277 52 HG3 GLN 9 HG3 GLN 9 -27.445 45.279 16.636 53 HE21 GLN 9 HE22 GLN 9 -30.061 44.572 15.389 54 HE22 GLN 9 HE21 GLN 9 -30.434 42.998 16.090 55 H ALA 10 H ALA 10 -25.290 45.515 18.775 56 HA ALA 10 HA ALA 10 -23.932 46.725 16.503 57 HB1 ALA 10 HB1 ALA 10 -21.756 46.758 17.672 58 HB2 ALA 10 HB2 ALA 10 -22.898 47.847 18.478 59 HB3 ALA 10 HB3 ALA 10 -22.537 46.251 19.184 60 H LEU 11 H LEU 11 -21.760 45.048 16.374 61 HA LEU 11 HA LEU 11 -22.651 42.302 16.818 62 HB3 LEU 11 HB3 LEU 11 -23.477 42.880 14.547 63 HG LEU 11 HG LEU 11 -20.591 43.682 14.062 64 HD11 LEU 11 HD11 LEU 11 -20.808 41.661 12.704 65 HD12 LEU 11 HD12 LEU 11 -20.759 43.104 11.684 66 HD13 LEU 11 HD13 LEU 11 -22.309 42.282 11.981 67 HD21 LEU 11 HD21 LEU 11 -21.621 45.259 12.486 68 HD22 LEU 11 HD22 LEU 11 -22.378 45.414 14.073 69 HD23 LEU 11 HD23 LEU 11 -23.220 44.544 12.777 70 H SER 12 H SER 12 -20.716 40.797 16.037 71 HA SER 12 HA SER 12 -18.089 42.081 16.333 72 HB3 SER 12 HB3 SER 12 -18.535 41.425 18.575 73 HG SER 12 HG SER 12 -19.186 38.767 17.832 74 H GLN 13 H GLN 13 -16.348 40.646 15.573 75 HA GLN 13 HA GLN 13 -16.778 38.048 14.633 76 HB3 GLN 13 HB3 GLN 13 -17.618 39.005 12.562 77 HG3 GLN 13 HG3 GLN 13 -15.253 40.891 12.744 78 HE21 GLN 13 HE22 GLN 13 -17.059 38.938 10.344 79 HE22 GLN 13 HE21 GLN 13 -16.134 39.592 9.011 80 H GLY 14 H GLY 14 -14.451 37.411 13.579 81 HA2 GLY 14 HA2 GLY 14 -12.226 38.428 13.238 82 HA3 GLY 14 HA3 GLY 14 -12.283 38.996 14.914 83 H SER 15 H SER 15 -12.213 36.057 12.843 84 HA SER 15 HA SER 15 -10.585 34.662 14.717 85 HB3 SER 15 HB3 SER 15 -12.316 34.001 16.054 86 HG SER 15 HG SER 15 -13.932 34.635 13.862 87 H GLU 16 H GLU 16 -9.475 33.111 13.632 88 HA GLU 16 HA GLU 16 -10.429 32.140 10.978 89 HB3 GLU 16 HB3 GLU 16 -8.266 32.756 9.925 90 HG3 GLU 16 HG3 GLU 16 -9.714 35.243 10.951 91 HA PRO 17 HA PRO 17 -8.169 28.860 13.361 92 HB3 PRO 17 HB3 PRO 17 -10.179 28.010 14.134 93 HG3 PRO 17 HG3 PRO 17 -12.190 28.172 12.856 94 HD3 PRO 17 HD3 PRO 17 -11.381 30.379 13.117 95 H SER 18 H SER 18 -7.077 26.918 12.526 96 HA SER 18 HA SER 18 -7.422 26.012 9.836 97 HB3 SER 18 HB3 SER 18 -4.818 27.487 10.440 98 HG SER 18 HG SER 18 -4.413 26.957 8.241 99 H SER 19 H SER 19 -7.772 24.094 11.020 100 HA SER 19 HA SER 19 -5.366 22.652 11.958 101 HB3 SER 19 HB3 SER 19 -5.787 23.486 14.033 102 HG SER 19 HG SER 19 -7.363 24.849 13.901 103 H GLU 20 H GLU 20 -6.413 21.958 9.613 104 HA GLU 20 HA GLU 20 -7.910 19.512 10.076 105 HB3 GLU 20 HB3 GLU 20 -9.157 21.562 8.237 106 HG3 GLU 20 HG3 GLU 20 -10.223 19.348 10.017 107 H ASN 21 H ASN 21 -8.412 18.647 7.713 108 HA ASN 21 HA ASN 21 -8.070 18.273 5.520 109 HB3 ASN 21 HB3 ASN 21 -6.383 20.796 5.379 110 HD21 ASN 21 HD22 ASN 21 -5.181 19.708 3.558 111 HD22 ASN 21 HD21 ASN 21 -5.992 19.760 2.007 112 H ALA 22 H ALA 22 -6.902 16.300 5.898 113 HA ALA 22 HA ALA 22 -4.214 16.475 4.838 114 HB1 ALA 22 HB1 ALA 22 -3.505 16.629 7.064 115 HB2 ALA 22 HB2 ALA 22 -4.715 15.447 7.644 116 HB3 ALA 22 HB3 ALA 22 -3.319 14.915 6.702 117 H ASN 23 H ASN 23 -3.322 14.070 4.911 118 HA ASN 23 HA ASN 23 -5.366 12.099 4.197 119 HB3 ASN 23 HB3 ASN 23 -3.108 13.154 2.471 120 HD21 ASN 23 HD22 ASN 23 -4.789 10.085 3.217 121 HD22 ASN 23 HD21 ASN 23 -4.045 9.228 1.909 122 H ASP 24 H ASP 24 -4.848 10.330 5.272 123 HA ASP 24 HA ASP 24 -2.239 9.941 6.640 124 HB3 ASP 24 HB3 ASP 24 -3.433 8.316 7.891 125 H THR 25 H THR 25 -0.793 8.951 5.270 126 HA THR 25 HA THR 25 -1.751 6.661 3.642 127 HB THR 25 HB THR 25 0.537 8.536 2.950 128 HG1 THR 25 HG1 THR 25 -1.033 9.850 2.406 129 HG21 THR 25 HG21 THR 25 0.394 7.517 0.747 130 HG22 THR 25 HG22 THR 25 -0.999 6.528 1.259 131 HG23 THR 25 HG23 THR 25 0.600 6.254 1.973 132 H ILE 26 H ILE 26 -0.407 4.814 3.840 133 HA ILE 26 HA ILE 26 1.578 4.867 6.071 134 HB ILE 26 HB ILE 26 0.109 2.648 4.631 135 HG13 ILE 26 HG13 ILE 26 -0.929 2.148 6.791 136 HG21 ILE 26 HG21 ILE 26 2.301 1.758 5.164 137 HG22 ILE 26 HG22 ILE 26 2.176 2.324 6.840 138 HG23 ILE 26 HG23 ILE 26 1.107 1.039 6.213 139 HD11 ILE 26 HD11 ILE 26 -0.976 3.628 8.645 140 HD12 ILE 26 HD12 ILE 26 0.739 3.364 8.317 141 HD13 ILE 26 HD13 ILE 26 -0.035 4.872 7.782 142 H ILE 27 H ILE 27 3.676 3.873 5.629 143 HA ILE 27 HA ILE 27 4.448 3.669 2.816 144 HB ILE 27 HB ILE 27 4.843 6.033 3.603 145 HG13 ILE 27 HG13 ILE 27 7.100 4.361 2.510 146 HG21 ILE 27 HG21 ILE 27 6.710 6.553 5.069 147 HG22 ILE 27 HG22 ILE 27 5.512 5.579 5.919 148 HG23 ILE 27 HG23 ILE 27 7.019 4.827 5.325 149 HD11 ILE 27 HD11 ILE 27 5.045 5.246 1.189 150 HD12 ILE 27 HD12 ILE 27 5.750 6.855 1.432 151 HD13 ILE 27 HD13 ILE 27 6.639 5.617 0.523 152 H LEU 28 H LEU 28 6.374 2.394 2.593 153 HA LEU 28 HA LEU 28 7.058 0.746 4.996 154 HB3 LEU 28 HB3 LEU 28 7.710 -1.030 3.444 155 HG LEU 28 HG LEU 28 5.698 -1.949 2.806 156 HD11 LEU 28 HD11 LEU 28 4.171 -1.671 4.635 157 HD12 LEU 28 HD12 LEU 28 4.841 -0.091 5.067 158 HD13 LEU 28 HD13 LEU 28 5.803 -1.560 5.274 159 HD21 LEU 28 HD21 LEU 28 4.969 0.067 1.401 160 HD22 LEU 28 HD22 LEU 28 4.156 0.653 2.861 161 HD23 LEU 28 HD23 LEU 28 3.731 -0.923 2.161 162 H ARG 29 H ARG 29 9.276 0.003 5.014 163 HA ARG 29 HA ARG 29 11.239 1.592 3.467 164 HB3 ARG 29 HB3 ARG 29 12.528 1.936 5.692 165 HG3 ARG 29 HG3 ARG 29 9.934 3.493 5.291 166 HD3 ARG 29 HD3 ARG 29 12.350 3.944 7.070 167 HE ARG 29 HE ARG 29 11.323 5.919 5.416 168 HH11 ARG 29 HH11 ARG 29 11.570 5.616 8.997 169 HH12 ARG 29 HH12 ARG 29 11.841 7.294 9.207 170 HH21 ARG 29 HH22 ARG 29 11.816 8.103 5.753 171 HH22 ARG 29 HH21 ARG 29 11.624 8.774 7.336 172 H ASN 30 H ASN 30 13.530 0.630 4.192 173 HA ASN 30 HA ASN 30 15.000 -1.008 4.447 174 HB3 ASN 30 HB3 ASN 30 12.877 -2.829 5.594 175 HD21 ASN 30 HD22 ASN 30 13.796 -4.684 6.382 176 HD22 ASN 30 HD21 ASN 30 15.490 -4.946 6.723 177 H LEU 31 H LEU 31 12.788 -1.115 2.101 178 HA LEU 31 HA LEU 31 12.716 -3.916 1.477 179 HB3 LEU 31 HB3 LEU 31 11.675 -3.278 -0.616 180 HG LEU 31 HG LEU 31 10.895 -1.065 1.342 181 HD11 LEU 31 HD11 LEU 31 8.803 -1.055 0.170 182 HD12 LEU 31 HD12 LEU 31 9.295 -2.390 -0.875 183 HD13 LEU 31 HD13 LEU 31 10.094 -0.799 -1.020 184 HD21 LEU 31 HD21 LEU 31 9.855 -3.898 1.017 185 HD22 LEU 31 HD22 LEU 31 9.055 -2.626 1.971 186 HD23 LEU 31 HD23 LEU 31 10.642 -3.228 2.463 187 H ASN 32 H ASN 32 13.798 -5.116 -0.153 188 HA ASN 32 HA ASN 32 16.397 -3.978 -1.011 189 HB3 ASN 32 HB3 ASN 32 15.744 -6.608 -2.145 190 HD21 ASN 32 HD22 ASN 32 17.635 -8.100 -1.851 191 HD22 ASN 32 HD21 ASN 32 19.042 -7.498 -1.016 192 HA PRO 33 HA PRO 33 15.102 -2.762 -5.083 193 HB3 PRO 33 HB3 PRO 33 17.143 -2.622 -6.072 194 HG3 PRO 33 HG3 PRO 33 18.948 -3.699 -4.993 195 HD3 PRO 33 HD3 PRO 33 17.647 -2.856 -3.203 196 H HIS 34 H HIS 34 15.831 -6.199 -4.779 197 HA HIS 34 HA HIS 34 13.886 -7.067 -6.776 198 HB3 HIS 34 HB3 HIS 34 14.803 -9.302 -6.109 199 HD1 HIS 34 HD1 HIS 34 15.292 -8.238 -8.781 200 HD2 HIS 34 HD2 HIS 34 18.149 -7.597 -5.733 201 HE1 HIS 34 HE1 HIS 34 17.455 -7.529 -9.926 202 H SER 35 H SER 35 13.109 -5.894 -3.830 203 HA SER 35 HA SER 35 11.712 -8.191 -2.781 204 HB3 SER 35 HB3 SER 35 11.350 -5.222 -2.130 205 HG SER 35 HG SER 35 11.049 -6.791 -0.055 206 H THR 36 H THR 36 9.278 -7.959 -2.610 207 HA THR 36 HA THR 36 8.103 -6.924 -5.149 208 HB THR 36 HB THR 36 6.887 -9.201 -5.260 209 HG1 THR 36 HG1 THR 36 9.246 -10.104 -3.963 210 HG21 THR 36 HG21 THR 36 8.614 -10.179 -6.646 211 HG22 THR 36 HG22 THR 36 9.842 -9.079 -5.970 212 HG23 THR 36 HG23 THR 36 8.492 -8.439 -6.931 213 H MET 37 H MET 37 5.812 -6.981 -5.244 214 HA MET 37 HA MET 37 4.347 -5.765 -3.284 215 HB3 MET 37 HB3 MET 37 3.574 -7.661 -5.553 216 HG3 MET 37 HG3 MET 37 1.645 -7.409 -4.062 217 HE1 MET 37 HE1 MET 37 2.434 -3.845 -5.726 218 HE2 MET 37 HE2 MET 37 0.707 -4.216 -5.992 219 HE3 MET 37 HE3 MET 37 1.157 -2.899 -4.902 220 H ASP 38 H ASP 38 4.706 -9.273 -3.806 221 HA ASP 38 HA ASP 38 2.518 -10.011 -2.224 222 HB3 ASP 38 HB3 ASP 38 3.657 -12.317 -2.129 223 H SER 39 H SER 39 5.976 -9.725 -0.991 224 HA SER 39 HA SER 39 5.820 -10.223 1.531 225 HB3 SER 39 HB3 SER 39 7.620 -8.921 1.761 226 HG SER 39 HG SER 39 7.385 -8.069 -0.948 227 H ILE 40 H ILE 40 3.803 -7.787 0.009 228 HA ILE 40 HA ILE 40 3.118 -6.706 2.623 229 HB ILE 40 HB ILE 40 2.752 -5.519 -0.163 230 HG13 ILE 40 HG13 ILE 40 4.966 -5.319 1.868 231 HG21 ILE 40 HG21 ILE 40 2.331 -4.320 2.626 232 HG22 ILE 40 HG22 ILE 40 2.259 -3.408 1.092 233 HG23 ILE 40 HG23 ILE 40 1.054 -4.667 1.426 234 HD11 ILE 40 HD11 ILE 40 4.957 -4.762 -1.129 235 HD12 ILE 40 HD12 ILE 40 6.362 -5.112 -0.080 236 HD13 ILE 40 HD13 ILE 40 5.230 -6.368 -0.480 237 H LEU 41 H LEU 41 1.657 -7.647 -0.552 238 HA LEU 41 HA LEU 41 -1.037 -7.524 0.332 239 HB3 LEU 41 HB3 LEU 41 -1.489 -9.284 -1.478 240 HG LEU 41 HG LEU 41 -0.048 -6.732 -2.256 241 HD11 LEU 41 HD11 LEU 41 -2.115 -8.280 -3.880 242 HD12 LEU 41 HD12 LEU 41 -0.368 -8.553 -4.045 243 HD13 LEU 41 HD13 LEU 41 -1.034 -6.958 -4.397 244 HD21 LEU 41 HD21 LEU 41 -2.337 -5.781 -2.580 245 HD22 LEU 41 HD22 LEU 41 -2.010 -6.141 -0.891 246 HD23 LEU 41 HD23 LEU 41 -3.033 -7.242 -1.833 247 H GLY 42 H GLY 42 1.203 -10.340 0.360 248 HA2 GLY 42 HA2 GLY 42 -0.770 -11.986 1.737 249 HA3 GLY 42 HA3 GLY 42 0.866 -12.421 1.240 250 H ALA 43 H ALA 43 1.157 -9.479 2.988 251 HA ALA 43 HA ALA 43 1.775 -10.958 5.514 252 HB1 ALA 43 HB1 ALA 43 2.576 -8.742 6.322 253 HB2 ALA 43 HB2 ALA 43 3.444 -9.323 4.893 254 HB3 ALA 43 HB3 ALA 43 2.251 -8.056 4.711 255 H LEU 44 H LEU 44 -0.192 -8.220 4.276 256 HA LEU 44 HA LEU 44 -1.728 -8.314 6.804 257 HB3 LEU 44 HB3 LEU 44 -2.567 -6.156 6.290 258 HG LEU 44 HG LEU 44 -0.802 -4.778 6.589 259 HD11 LEU 44 HD11 LEU 44 -0.631 -6.587 8.246 260 HD12 LEU 44 HD12 LEU 44 0.946 -5.855 7.875 261 HD13 LEU 44 HD13 LEU 44 0.530 -7.435 7.222 262 HD21 LEU 44 HD21 LEU 44 1.513 -5.195 5.675 263 HD22 LEU 44 HD22 LEU 44 0.261 -4.863 4.454 264 HD23 LEU 44 HD23 LEU 44 0.832 -6.498 4.718 265 H ALA 45 H ALA 45 -2.044 -9.832 3.940 266 HA ALA 45 HA ALA 45 -4.407 -9.608 2.799 267 HB1 ALA 45 HB1 ALA 45 -4.427 -12.249 2.872 268 HB2 ALA 45 HB2 ALA 45 -3.164 -11.377 2.015 269 HB3 ALA 45 HB3 ALA 45 -2.847 -12.038 3.628 270 HA PRO 46 HA PRO 46 -7.268 -11.485 5.924 271 HB3 PRO 46 HB3 PRO 46 -6.431 -13.421 7.012 272 HG3 PRO 46 HG3 PRO 46 -4.132 -13.527 7.646 273 HD3 PRO 46 HD3 PRO 46 -4.048 -12.859 5.396 274 H TYR 47 H TYR 47 -4.838 -9.314 7.159 275 HA TYR 47 HA TYR 47 -6.590 -8.378 9.320 276 HB3 TYR 47 HB3 TYR 47 -4.633 -7.240 10.091 277 HD1 TYR 47 HD2 TYR 47 -5.612 -9.955 10.621 278 HD2 TYR 47 HD1 TYR 47 -1.899 -8.676 8.909 279 HE1 TYR 47 HE2 TYR 47 -4.555 -12.057 11.407 280 HE2 TYR 47 HE1 TYR 47 -0.827 -10.798 9.594 281 HH TYR 47 HH TYR 47 -1.605 -12.701 11.771 282 H ALA 48 H ALA 48 -6.562 -7.723 6.110 283 HA ALA 48 HA ALA 48 -7.220 -4.874 6.334 284 HB1 ALA 48 HB1 ALA 48 -5.434 -4.099 4.851 285 HB2 ALA 48 HB2 ALA 48 -4.737 -4.796 6.328 286 HB3 ALA 48 HB3 ALA 48 -4.715 -5.725 4.809 287 H VAL 49 H VAL 49 -9.015 -4.951 5.223 288 HA VAL 49 HA VAL 49 -9.480 -6.860 3.045 289 HB VAL 49 HB VAL 49 -11.088 -4.822 4.592 290 HG11 VAL 49 HG11 VAL 49 -12.152 -6.751 2.460 291 HG12 VAL 49 HG12 VAL 49 -13.121 -5.676 3.489 292 HG13 VAL 49 HG13 VAL 49 -12.058 -4.988 2.271 293 HG21 VAL 49 HG21 VAL 49 -11.251 -7.850 4.537 294 HG22 VAL 49 HG22 VAL 49 -10.580 -6.850 5.849 295 HG23 VAL 49 HG23 VAL 49 -12.299 -6.768 5.479 296 H LEU 50 H LEU 50 -8.075 -6.125 1.431 297 HA LEU 50 HA LEU 50 -8.944 -3.825 -0.111 298 HB3 LEU 50 HB3 LEU 50 -7.589 -2.568 1.273 299 HG LEU 50 HG LEU 50 -6.223 -4.270 2.458 300 HD11 LEU 50 HD11 LEU 50 -4.030 -4.944 1.468 301 HD12 LEU 50 HD12 LEU 50 -4.548 -4.290 -0.099 302 HD13 LEU 50 HD13 LEU 50 -5.395 -5.675 0.635 303 HD21 LEU 50 HD21 LEU 50 -4.539 -2.079 1.191 304 HD22 LEU 50 HD22 LEU 50 -4.346 -2.814 2.788 305 HD23 LEU 50 HD23 LEU 50 -5.751 -1.807 2.465 306 H SER 51 H SER 51 -6.612 -3.742 -1.812 307 HA SER 51 HA SER 51 -5.717 -6.343 -2.470 308 HB3 SER 51 HB3 SER 51 -7.259 -5.006 -4.728 309 HG SER 51 HG SER 51 -7.292 -7.621 -4.803 310 H SER 52 H SER 52 -4.685 -5.804 -4.943 311 HA SER 52 HA SER 52 -2.405 -4.249 -4.363 312 HB3 SER 52 HB3 SER 52 -2.415 -6.216 -5.758 313 HG SER 52 HG SER 52 -3.493 -6.402 -7.562 314 H SER 53 H SER 53 -5.458 -3.047 -5.436 315 HA SER 53 HA SER 53 -4.432 -0.729 -6.852 316 HB3 SER 53 HB3 SER 53 -6.665 0.225 -6.195 317 HG SER 53 HG SER 53 -7.289 -0.736 -7.900 318 H ASN 54 H ASN 54 -5.176 -1.476 -3.452 319 HA ASN 54 HA ASN 54 -4.796 1.231 -2.481 320 HB3 ASN 54 HB3 ASN 54 -4.782 0.078 -0.229 321 HD21 ASN 54 HD22 ASN 54 -6.612 1.225 0.152 322 HD22 ASN 54 HD21 ASN 54 -8.213 0.593 -0.228 323 H VAL 55 H VAL 55 -2.776 -1.692 -2.655 324 HA VAL 55 HA VAL 55 -0.535 -0.463 -1.189 325 HB VAL 55 HB VAL 55 -0.918 -3.206 -2.500 326 HG11 VAL 55 HG11 VAL 55 1.480 -2.584 -2.275 327 HG12 VAL 55 HG12 VAL 55 1.225 -2.246 -0.553 328 HG13 VAL 55 HG13 VAL 55 1.039 -3.894 -1.175 329 HG21 VAL 55 HG21 VAL 55 -2.459 -2.960 -0.590 330 HG22 VAL 55 HG22 VAL 55 -1.145 -4.055 -0.168 331 HG23 VAL 55 HG23 VAL 55 -1.123 -2.393 0.437 332 H ARG 56 H ARG 56 1.242 0.448 -2.337 333 HA ARG 56 HA ARG 56 1.381 -0.107 -5.234 334 HB3 ARG 56 HB3 ARG 56 1.790 2.699 -4.126 335 HG3 ARG 56 HG3 ARG 56 2.394 2.313 -6.477 336 HD3 ARG 56 HD3 ARG 56 -0.421 1.204 -6.547 337 HE ARG 56 HE ARG 56 0.090 3.107 -8.407 338 HH11 ARG 56 HH11 ARG 56 -0.314 -0.440 -8.464 339 HH12 ARG 56 HH12 ARG 56 -1.195 -0.471 -9.927 340 HH21 ARG 56 HH22 ARG 56 -1.154 3.062 -10.433 341 HH22 ARG 56 HH21 ARG 56 -1.631 1.527 -11.065 342 H VAL 57 H VAL 57 3.543 -0.086 -6.043 343 HA VAL 57 HA VAL 57 5.661 0.565 -4.076 344 HB VAL 57 HB VAL 57 5.488 -1.788 -4.052 345 HG11 VAL 57 HG11 VAL 57 5.799 -1.858 -7.077 346 HG12 VAL 57 HG12 VAL 57 5.771 -3.245 -5.975 347 HG13 VAL 57 HG13 VAL 57 4.318 -2.263 -6.168 348 HG21 VAL 57 HG21 VAL 57 7.871 -1.045 -5.801 349 HG22 VAL 57 HG22 VAL 57 7.763 -0.768 -4.051 350 HG23 VAL 57 HG23 VAL 57 7.741 -2.415 -4.686 351 H ILE 58 H ILE 58 6.734 2.231 -4.756 352 HA ILE 58 HA ILE 58 6.801 2.979 -7.601 353 HB ILE 58 HB ILE 58 8.426 4.258 -5.392 354 HG13 ILE 58 HG13 ILE 58 6.661 5.899 -4.961 355 HG21 ILE 58 HG21 ILE 58 8.902 5.009 -7.739 356 HG22 ILE 58 HG22 ILE 58 7.199 5.400 -7.958 357 HG23 ILE 58 HG23 ILE 58 8.200 6.281 -6.771 358 HD11 ILE 58 HD11 ILE 58 4.300 5.323 -5.507 359 HD12 ILE 58 HD12 ILE 58 5.235 5.769 -6.933 360 HD13 ILE 58 HD13 ILE 58 4.867 4.061 -6.613 361 H LYS 59 H LYS 59 8.690 3.025 -8.812 362 HA LYS 59 HA LYS 59 10.824 1.157 -7.927 363 HB3 LYS 59 HB3 LYS 59 10.928 0.409 -10.321 364 HG3 LYS 59 HG3 LYS 59 8.285 -0.001 -8.853 365 HD3 LYS 59 HD3 LYS 59 7.792 -0.547 -11.073 366 HE3 LYS 59 HE3 LYS 59 10.152 -2.459 -11.123 367 HZ1 LYS 59 HZ1 LYS 59 9.591 -2.571 -13.438 368 HZ2 LYS 59 HZ2 LYS 59 8.520 -1.335 -13.323 369 HZ3 LYS 59 HZ3 LYS 59 8.173 -2.778 -12.628 370 H ASP 60 H ASP 60 12.744 1.411 -9.437 371 HA ASP 60 HA ASP 60 13.688 4.095 -9.304 372 HB3 ASP 60 HB3 ASP 60 14.812 1.571 -10.576 373 H LYS 61 H LYS 61 14.984 4.906 -11.315 374 HA LYS 61 HA LYS 61 13.301 4.855 -13.746 375 HB3 LYS 61 HB3 LYS 61 15.002 7.008 -12.472 376 HG3 LYS 61 HG3 LYS 61 15.260 7.258 -14.858 377 HD3 LYS 61 HD3 LYS 61 12.213 7.102 -14.914 378 HE3 LYS 61 HE3 LYS 61 14.273 8.010 -16.979 379 HZ1 LYS 61 HZ1 LYS 61 12.550 6.558 -17.968 380 HZ2 LYS 61 HZ2 LYS 61 12.498 8.123 -18.539 381 HZ3 LYS 61 HZ3 LYS 61 11.391 7.584 -17.474 382 H GLN 62 H GLN 62 16.594 4.502 -12.339 383 HA GLN 62 HA GLN 62 17.907 4.412 -14.929 384 HB3 GLN 62 HB3 GLN 62 19.833 3.791 -13.785 385 HG3 GLN 62 HG3 GLN 62 18.494 5.541 -11.686 386 HE21 GLN 62 HE22 GLN 62 20.079 6.502 -10.349 387 HE22 GLN 62 HE21 GLN 62 21.765 6.693 -10.858 388 H THR 63 H THR 63 16.771 2.118 -12.492 389 HA THR 63 HA THR 63 16.932 -0.149 -14.401 390 HB THR 63 HB THR 63 17.305 -1.521 -12.409 391 HG1 THR 63 HG1 THR 63 17.183 0.945 -10.980 392 HG21 THR 63 HG21 THR 63 19.184 0.880 -12.323 393 HG22 THR 63 HG22 THR 63 19.300 -0.487 -13.455 394 HG23 THR 63 HG23 THR 63 19.499 -0.748 -11.706 395 H GLN 64 H GLN 64 15.366 -1.967 -13.312 396 HA GLN 64 HA GLN 64 12.714 -0.694 -12.870 397 HB3 GLN 64 HB3 GLN 64 11.811 -2.776 -14.010 398 HG3 GLN 64 HG3 GLN 64 12.554 -2.136 -16.312 399 HE21 GLN 64 HE22 GLN 64 12.927 0.931 -14.439 400 HE22 GLN 64 HE21 GLN 64 11.312 1.482 -14.762 401 H LEU 65 H LEU 65 14.096 -0.801 -10.731 402 HA LEU 65 HA LEU 65 13.410 -3.249 -9.169 403 HB3 LEU 65 HB3 LEU 65 15.439 -2.714 -7.863 404 HG LEU 65 HG LEU 65 16.054 -2.903 -10.848 405 HD11 LEU 65 HD11 LEU 65 18.296 -3.564 -10.157 406 HD12 LEU 65 HD12 LEU 65 17.900 -3.275 -8.459 407 HD13 LEU 65 HD13 LEU 65 17.911 -1.919 -9.595 408 HD21 LEU 65 HD21 LEU 65 15.995 -5.054 -8.683 409 HD22 LEU 65 HD22 LEU 65 16.499 -5.273 -10.372 410 HD23 LEU 65 HD23 LEU 65 14.818 -4.863 -9.992 411 H ASN 66 H ASN 66 13.369 -2.577 -6.731 412 HA ASN 66 HA ASN 66 11.532 -0.343 -6.424 413 HB3 ASN 66 HB3 ASN 66 11.601 -0.867 -4.023 414 HD21 ASN 66 HD22 ASN 66 12.109 -3.869 -3.644 415 HD22 ASN 66 HD21 ASN 66 10.779 -4.611 -4.542 416 H ARG 67 H ARG 67 12.004 1.331 -4.619 417 HA ARG 67 HA ARG 67 14.890 2.109 -4.465 418 HB3 ARG 67 HB3 ARG 67 14.025 4.500 -4.215 419 HG3 ARG 67 HG3 ARG 67 13.664 3.196 -6.939 420 HD3 ARG 67 HD3 ARG 67 14.014 6.042 -5.959 421 HE ARG 67 HE ARG 67 15.414 4.984 -8.240 422 HH11 ARG 67 HH11 ARG 67 13.459 7.811 -7.351 423 HH12 ARG 67 HH12 ARG 67 14.402 8.901 -8.314 424 HH21 ARG 67 HH22 ARG 67 16.456 6.248 -9.586 425 HH22 ARG 67 HH21 ARG 67 16.196 7.961 -9.741 426 H GLY 68 H GLY 68 13.920 0.280 -2.749 427 HA2 GLY 68 HA2 GLY 68 13.979 -0.201 -0.563 428 HA3 GLY 68 HA3 GLY 68 14.610 1.417 -0.339 429 H PHE 69 H PHE 69 11.472 1.797 -1.588 430 HA PHE 69 HA PHE 69 10.134 1.737 0.991 431 HB3 PHE 69 HB3 PHE 69 11.451 3.989 0.659 432 HD1 PHE 69 HD1 PHE 69 11.079 3.792 -2.360 433 HD2 PHE 69 HD2 PHE 69 8.868 5.987 0.626 434 HE1 PHE 69 HE1 PHE 69 10.356 5.393 -4.073 435 HE2 PHE 69 HE2 PHE 69 8.061 7.537 -1.112 436 HZ PHE 69 HZ PHE 69 8.786 7.237 -3.497 437 H ALA 70 H ALA 70 7.763 2.316 0.643 438 HA ALA 70 HA ALA 70 6.706 2.350 -2.030 439 HB1 ALA 70 HB1 ALA 70 7.318 -0.085 -1.802 440 HB2 ALA 70 HB2 ALA 70 6.331 -0.146 -0.334 441 HB3 ALA 70 HB3 ALA 70 5.580 0.157 -1.903 442 H PHE 71 H PHE 71 4.116 1.993 -1.711 443 HA PHE 71 HA PHE 71 3.364 3.800 0.560 444 HB3 PHE 71 HB3 PHE 71 1.652 4.379 -1.447 445 HD1 PHE 71 HD1 PHE 71 2.450 5.978 0.639 446 HD2 PHE 71 HD2 PHE 71 4.389 5.591 -3.194 447 HE1 PHE 71 HE1 PHE 71 3.356 8.234 0.879 448 HE2 PHE 71 HE2 PHE 71 5.310 7.884 -2.946 449 HZ PHE 71 HZ PHE 71 4.800 9.221 -0.913 450 H ILE 72 H ILE 72 1.161 3.519 1.391 451 HA ILE 72 HA ILE 72 -0.575 1.628 -0.009 452 HB ILE 72 HB ILE 72 -0.095 1.366 2.986 453 HG13 ILE 72 HG13 ILE 72 1.807 0.409 1.799 454 HG21 ILE 72 HG21 ILE 72 -1.674 -0.555 2.818 455 HG22 ILE 72 HG22 ILE 72 -2.431 0.906 2.248 456 HG23 ILE 72 HG23 ILE 72 -1.840 -0.272 1.069 457 HD11 ILE 72 HD11 ILE 72 0.901 -0.775 3.799 458 HD12 ILE 72 HD12 ILE 72 0.072 -1.905 2.678 459 HD13 ILE 72 HD13 ILE 72 1.819 -1.786 2.677 460 H GLN 73 H GLN 73 -2.700 2.295 0.088 461 HA GLN 73 HA GLN 73 -3.324 4.796 1.594 462 HB3 GLN 73 HB3 GLN 73 -5.106 5.013 -0.210 463 HG3 GLN 73 HG3 GLN 73 -2.180 5.077 -1.043 464 HE21 GLN 73 HE22 GLN 73 -4.663 7.579 -1.538 465 HE22 GLN 73 HE21 GLN 73 -4.732 7.372 -3.283 466 H LEU 74 H LEU 74 -4.396 4.347 3.360 467 HA LEU 74 HA LEU 74 -7.037 2.992 3.170 468 HB3 LEU 74 HB3 LEU 74 -6.809 2.668 5.646 469 HG LEU 74 HG LEU 74 -6.567 0.657 4.234 470 HD11 LEU 74 HD11 LEU 74 -3.591 1.313 4.434 471 HD12 LEU 74 HD12 LEU 74 -4.563 0.965 2.980 472 HD13 LEU 74 HD13 LEU 74 -4.221 -0.320 4.097 473 HD21 LEU 74 HD21 LEU 74 -6.646 0.397 6.588 474 HD22 LEU 74 HD22 LEU 74 -4.995 1.045 6.809 475 HD23 LEU 74 HD23 LEU 74 -5.296 -0.586 6.093 476 H SER 75 H SER 75 -8.349 4.041 5.202 477 HA SER 75 HA SER 75 -8.307 6.939 4.892 478 HB3 SER 75 HB3 SER 75 -9.964 5.249 6.760 479 HG SER 75 HG SER 75 -11.418 7.040 5.619 480 H THR 76 H THR 76 -9.014 7.871 7.344 481 HA THR 76 HA THR 76 -6.404 8.283 8.331 482 HB THR 76 HB THR 76 -7.270 10.027 9.646 483 HG1 THR 76 HG1 THR 76 -9.203 10.276 10.225 484 HG21 THR 76 HG21 THR 76 -7.273 10.342 7.141 485 HG22 THR 76 HG22 THR 76 -8.413 11.375 8.018 486 HG23 THR 76 HG23 THR 76 -9.003 9.953 7.139 487 H ILE 77 H ILE 77 -9.206 7.062 10.265 488 HA ILE 77 HA ILE 77 -7.635 6.253 12.487 489 HB ILE 77 HB ILE 77 -10.235 5.050 11.429 490 HG13 ILE 77 HG13 ILE 77 -10.404 7.462 11.884 491 HG21 ILE 77 HG21 ILE 77 -9.131 3.500 13.007 492 HG22 ILE 77 HG22 ILE 77 -8.977 4.801 14.204 493 HG23 ILE 77 HG23 ILE 77 -10.575 4.174 13.723 494 HD11 ILE 77 HD11 ILE 77 -11.710 6.108 14.244 495 HD12 ILE 77 HD12 ILE 77 -12.270 7.497 13.301 496 HD13 ILE 77 HD13 ILE 77 -12.284 5.871 12.575 497 H GLU 78 H GLU 78 -8.551 4.575 9.508 498 HA GLU 78 HA GLU 78 -7.554 2.004 10.050 499 HB3 GLU 78 HB3 GLU 78 -7.606 1.842 7.572 500 HG3 GLU 78 HG3 GLU 78 -9.903 3.144 8.910 501 H ALA 79 H ALA 79 -5.864 4.945 9.189 502 HA ALA 79 HA ALA 79 -3.322 3.511 8.642 503 HB1 ALA 79 HB1 ALA 79 -3.922 6.486 8.830 504 HB2 ALA 79 HB2 ALA 79 -2.401 5.758 8.281 505 HB3 ALA 79 HB3 ALA 79 -3.876 5.478 7.357 506 H ALA 80 H ALA 80 -4.596 5.824 11.011 507 HA ALA 80 HA ALA 80 -2.466 5.642 12.900 508 HB1 ALA 80 HB1 ALA 80 -4.030 7.053 14.263 509 HB2 ALA 80 HB2 ALA 80 -3.829 7.648 12.610 510 HB3 ALA 80 HB3 ALA 80 -5.309 6.752 13.088 511 H GLN 81 H GLN 81 -4.314 3.089 12.345 512 HA GLN 81 HA GLN 81 -3.755 2.218 15.106 513 HB3 GLN 81 HB3 GLN 81 -6.204 2.546 14.725 514 HG3 GLN 81 HG3 GLN 81 -5.988 1.126 12.348 515 HE21 GLN 81 HE22 GLN 81 -8.750 -0.228 13.508 516 HE22 GLN 81 HE21 GLN 81 -8.219 -1.874 13.782 517 H LEU 82 H LEU 82 -3.931 1.502 11.646 518 HA LEU 82 HA LEU 82 -3.354 -1.284 11.900 519 HB3 LEU 82 HB3 LEU 82 -2.268 -0.757 9.478 520 HG LEU 82 HG LEU 82 -4.557 -0.812 8.444 521 HD11 LEU 82 HD11 LEU 82 -3.177 -2.829 8.891 522 HD12 LEU 82 HD12 LEU 82 -4.907 -3.146 8.936 523 HD13 LEU 82 HD13 LEU 82 -3.991 -3.006 10.457 524 HD21 LEU 82 HD21 LEU 82 -5.644 -1.483 11.200 525 HD22 LEU 82 HD22 LEU 82 -6.519 -1.291 9.652 526 HD23 LEU 82 HD23 LEU 82 -5.852 0.101 10.456 527 H LEU 83 H LEU 83 -1.223 1.593 11.719 528 HA LEU 83 HA LEU 83 1.216 0.356 11.306 529 HB3 LEU 83 HB3 LEU 83 0.910 2.477 13.411 530 HG LEU 83 HG LEU 83 3.185 1.691 12.304 531 HD11 LEU 83 HD11 LEU 83 3.761 3.001 10.318 532 HD12 LEU 83 HD12 LEU 83 2.155 3.760 10.292 533 HD13 LEU 83 HD13 LEU 83 2.323 2.032 9.950 534 HD21 LEU 83 HD21 LEU 83 4.013 4.048 12.577 535 HD22 LEU 83 HD22 LEU 83 2.959 3.526 13.904 536 HD23 LEU 83 HD23 LEU 83 2.306 4.587 12.651 537 H GLN 84 H GLN 84 -0.792 0.392 14.242 538 HA GLN 84 HA GLN 84 1.349 -0.493 16.020 539 HB3 GLN 84 HB3 GLN 84 -0.464 -0.518 17.706 540 HG3 GLN 84 HG3 GLN 84 -1.115 1.830 17.681 541 HE21 GLN 84 HE22 GLN 84 1.011 3.445 15.979 542 HE22 GLN 84 HE21 GLN 84 2.490 3.113 16.870 543 H ILE 85 H ILE 85 -1.143 -1.990 14.033 544 HA ILE 85 HA ILE 85 -0.837 -4.651 15.252 545 HB ILE 85 HB ILE 85 -2.021 -3.827 12.590 546 HG13 ILE 85 HG13 ILE 85 -3.205 -2.835 14.612 547 HG21 ILE 85 HG21 ILE 85 -3.028 -6.128 12.681 548 HG22 ILE 85 HG22 ILE 85 -1.277 -6.231 12.742 549 HG23 ILE 85 HG23 ILE 85 -2.215 -6.413 14.221 550 HD11 ILE 85 HD11 ILE 85 -4.515 -3.253 12.649 551 HD12 ILE 85 HD12 ILE 85 -4.772 -4.962 13.120 552 HD13 ILE 85 HD13 ILE 85 -5.436 -3.661 14.102 553 H LEU 86 H LEU 86 0.327 -2.785 12.445 554 HA LEU 86 HA LEU 86 1.643 -4.856 11.120 555 HB3 LEU 86 HB3 LEU 86 2.901 -2.996 9.978 556 HG LEU 86 HG LEU 86 0.347 -1.655 9.856 557 HD11 LEU 86 HD11 LEU 86 1.696 -3.469 7.857 558 HD12 LEU 86 HD12 LEU 86 2.080 -1.752 8.076 559 HD13 LEU 86 HD13 LEU 86 0.471 -2.230 7.527 560 HD21 LEU 86 HD21 LEU 86 -0.838 -3.614 10.576 561 HD22 LEU 86 HD22 LEU 86 0.162 -4.660 9.548 562 HD23 LEU 86 HD23 LEU 86 -0.987 -3.519 8.830 563 H GLN 87 H GLN 87 2.941 -2.727 13.661 564 HA GLN 87 HA GLN 87 5.664 -3.529 13.269 565 HB3 GLN 87 HB3 GLN 87 6.187 -2.520 15.325 566 HG3 GLN 87 HG3 GLN 87 3.862 -0.757 14.981 567 HE21 GLN 87 HE22 GLN 87 5.952 0.706 13.036 568 HE22 GLN 87 HE21 GLN 87 6.885 1.617 14.175 569 H ALA 88 H ALA 88 3.130 -5.515 14.204 570 HA ALA 88 HA ALA 88 4.737 -7.113 16.128 571 HB1 ALA 88 HB1 ALA 88 2.491 -6.211 16.810 572 HB2 ALA 88 HB2 ALA 88 1.756 -7.249 15.571 573 HB3 ALA 88 HB3 ALA 88 2.651 -7.972 16.920 574 H LEU 89 H LEU 89 4.220 -7.173 12.799 575 HA LEU 89 HA LEU 89 4.274 -10.149 12.746 576 HB3 LEU 89 HB3 LEU 89 1.976 -9.390 12.367 577 HG LEU 89 HG LEU 89 2.992 -7.302 10.820 578 HD11 LEU 89 HD11 LEU 89 3.598 -8.846 8.994 579 HD12 LEU 89 HD12 LEU 89 2.418 -7.622 8.549 580 HD13 LEU 89 HD13 LEU 89 1.879 -9.300 8.840 581 HD21 LEU 89 HD21 LEU 89 0.762 -7.422 11.880 582 HD22 LEU 89 HD22 LEU 89 0.220 -8.536 10.608 583 HD23 LEU 89 HD23 LEU 89 0.676 -6.868 10.199 584 H HIS 90 H HIS 90 4.880 -10.954 10.516 585 HA HIS 90 HA HIS 90 7.045 -9.316 9.343 586 HB3 HIS 90 HB3 HIS 90 7.923 -10.995 10.929 587 HD1 HIS 90 HD1 HIS 90 6.706 -13.370 8.031 588 HD2 HIS 90 HD2 HIS 90 7.223 -13.091 12.227 589 HE1 HIS 90 HE1 HIS 90 6.110 -15.642 9.012 590 HA PRO 91 HA PRO 91 5.050 -10.332 5.609 591 HB3 PRO 91 HB3 PRO 91 6.685 -9.029 4.590 592 HG3 PRO 91 HG3 PRO 91 9.036 -9.445 4.989 593 HD3 PRO 91 HD3 PRO 91 7.945 -8.899 7.041 594 HA PRO 92 HA PRO 92 5.042 -14.786 4.382 595 HB3 PRO 92 HB3 PRO 92 3.318 -14.467 2.939 596 HG3 PRO 92 HG3 PRO 92 3.067 -12.429 1.768 597 HD3 PRO 92 HD3 PRO 92 3.340 -11.810 4.038 598 H LEU 93 H LEU 93 6.689 -12.471 2.234 599 HA LEU 93 HA LEU 93 8.885 -14.397 1.750 600 HB3 LEU 93 HB3 LEU 93 7.131 -13.790 0.065 601 HG LEU 93 HG LEU 93 7.725 -11.159 0.381 602 HD11 LEU 93 HD11 LEU 93 9.595 -12.164 -1.814 603 HD12 LEU 93 HD12 LEU 93 10.154 -11.763 -0.201 604 HD13 LEU 93 HD13 LEU 93 9.458 -10.495 -1.251 605 HD21 LEU 93 HD21 LEU 93 5.994 -12.121 -0.977 606 HD22 LEU 93 HD22 LEU 93 7.160 -12.723 -2.144 607 HD23 LEU 93 HD23 LEU 93 6.920 -10.958 -1.996 608 H THR 94 H THR 94 10.925 -13.859 2.121 609 HA THR 94 HA THR 94 11.500 -11.045 2.711 610 HB THR 94 HB THR 94 12.737 -13.227 4.361 611 HG1 THR 94 HG1 THR 94 11.062 -12.897 5.942 612 HG21 THR 94 HG21 THR 94 12.941 -11.455 6.041 613 HG22 THR 94 HG22 THR 94 11.971 -10.363 5.012 614 HG23 THR 94 HG23 THR 94 13.572 -10.904 4.464 615 H ILE 95 H ILE 95 12.616 -10.679 0.943 616 HA ILE 95 HA ILE 95 14.494 -12.654 -0.185 617 HB ILE 95 HB ILE 95 13.075 -11.268 -1.717 618 HG13 ILE 95 HG13 ILE 95 16.084 -10.838 -1.999 619 HG21 ILE 95 HG21 ILE 95 13.002 -9.142 -0.493 620 HG22 ILE 95 HG22 ILE 95 14.745 -8.913 -0.764 621 HG23 ILE 95 HG23 ILE 95 13.631 -8.914 -2.132 622 HD11 ILE 95 HD11 ILE 95 15.864 -12.643 -3.701 623 HD12 ILE 95 HD12 ILE 95 15.456 -13.234 -2.082 624 HD13 ILE 95 HD13 ILE 95 14.162 -12.856 -3.251 625 H ASP 96 H ASP 96 16.730 -12.486 0.160 626 HA ASP 96 HA ASP 96 18.687 -11.882 1.200 627 HB3 ASP 96 HB3 ASP 96 17.670 -9.130 0.466 628 H GLY 97 H GLY 97 16.358 -12.103 3.032 629 HA2 GLY 97 HA2 GLY 97 15.949 -11.848 5.289 630 HA3 GLY 97 HA3 GLY 97 17.555 -11.143 5.454 631 H LYS 98 H LYS 98 15.506 -9.463 3.161 632 HA LYS 98 HA LYS 98 15.521 -7.121 4.921 633 HB3 LYS 98 HB3 LYS 98 14.672 -5.934 2.891 634 HG3 LYS 98 HG3 LYS 98 16.766 -6.460 1.487 635 HD3 LYS 98 HD3 LYS 98 18.419 -6.152 3.527 636 HE3 LYS 98 HE3 LYS 98 16.666 -3.765 3.125 637 HZ1 LYS 98 HZ1 LYS 98 18.918 -3.781 4.260 638 HZ2 LYS 98 HZ2 LYS 98 18.729 -2.673 3.060 639 HZ3 LYS 98 HZ3 LYS 98 19.562 -4.040 2.751 640 H THR 99 H THR 99 14.169 -7.529 6.458 641 HA THR 99 HA THR 99 11.398 -8.387 6.080 642 HB THR 99 HB THR 99 11.247 -7.546 8.498 643 HG1 THR 99 HG1 THR 99 13.663 -7.546 9.261 644 HG21 THR 99 HG21 THR 99 11.600 -9.901 7.868 645 HG22 THR 99 HG22 THR 99 12.427 -9.481 9.375 646 HG23 THR 99 HG23 THR 99 13.362 -9.642 7.873 647 H ILE 100 H ILE 100 9.572 -7.057 6.000 648 HA ILE 100 HA ILE 100 9.999 -4.436 4.753 649 HB ILE 100 HB ILE 100 7.425 -5.662 5.733 650 HG13 ILE 100 HG13 ILE 100 7.079 -6.576 3.445 651 HG21 ILE 100 HG21 ILE 100 6.446 -4.283 3.859 652 HG22 ILE 100 HG22 ILE 100 7.135 -3.374 5.205 653 HG23 ILE 100 HG23 ILE 100 8.039 -3.513 3.690 654 HD11 ILE 100 HD11 ILE 100 9.992 -5.724 3.000 655 HD12 ILE 100 HD12 ILE 100 9.151 -6.953 2.034 656 HD13 ILE 100 HD13 ILE 100 8.541 -5.298 2.048 657 H ASN 101 H ASN 101 10.284 -2.692 5.872 658 HA ASN 101 HA ASN 101 9.573 -2.459 8.776 659 HB3 ASN 101 HB3 ASN 101 10.388 0.027 8.109 660 HD21 ASN 101 HD22 ASN 101 11.518 0.505 9.832 661 HD22 ASN 101 HD21 ASN 101 12.634 -0.555 10.655 662 H VAL 102 H VAL 102 8.097 -0.866 9.373 663 HA VAL 102 HA VAL 102 6.242 0.155 7.282 664 HB VAL 102 HB VAL 102 5.111 -1.615 8.358 665 HG11 VAL 102 HG11 VAL 102 4.873 -1.835 10.846 666 HG12 VAL 102 HG12 VAL 102 6.507 -2.136 10.282 667 HG13 VAL 102 HG13 VAL 102 6.107 -0.580 11.051 668 HG21 VAL 102 HG21 VAL 102 3.286 -0.536 9.534 669 HG22 VAL 102 HG22 VAL 102 4.306 0.846 9.899 670 HG23 VAL 102 HG23 VAL 102 3.829 0.509 8.210 671 H GLU 103 H GLU 103 5.582 2.358 7.554 672 HA GLU 103 HA GLU 103 6.190 3.760 9.994 673 HB3 GLU 103 HB3 GLU 103 7.631 4.477 7.389 674 HG3 GLU 103 HG3 GLU 103 7.334 6.551 8.524 675 H PHE 104 H PHE 104 5.376 6.202 9.629 676 HA PHE 104 HA PHE 104 2.815 5.953 8.121 677 HB3 PHE 104 HB3 PHE 104 3.413 7.773 10.467 678 HD1 PHE 104 HD2 PHE 104 1.155 7.837 7.964 679 HD2 PHE 104 HD1 PHE 104 1.136 6.768 12.167 680 HE1 PHE 104 HE2 PHE 104 -1.201 8.353 8.098 681 HE2 PHE 104 HE1 PHE 104 -1.201 7.364 12.289 682 HZ PHE 104 HZ PHE 104 -2.435 8.124 10.261 683 H ALA 105 H ALA 105 2.631 7.251 6.374 684 HA ALA 105 HA ALA 105 4.307 9.709 6.114 685 HB1 ALA 105 HB1 ALA 105 3.389 7.815 3.937 686 HB2 ALA 105 HB2 ALA 105 4.175 9.386 3.679 687 HB3 ALA 105 HB3 ALA 105 5.069 8.111 4.492 688 H LYS 106 H LYS 106 2.236 10.195 7.575 689 HA LYS 106 HA LYS 106 -0.148 10.943 6.264 690 HB3 LYS 106 HB3 LYS 106 1.216 12.356 8.599 691 HG3 LYS 106 HG3 LYS 106 -1.606 11.595 7.823 692 HD3 LYS 106 HD3 LYS 106 -0.594 12.769 10.421 693 HE3 LYS 106 HE3 LYS 106 -3.473 12.295 9.514 694 HZ1 LYS 106 HZ1 LYS 106 -3.175 12.261 11.866 695 HZ2 LYS 106 HZ2 LYS 106 -3.973 13.637 11.404 696 HZ3 LYS 106 HZ3 LYS 106 -2.378 13.712 11.867 697 H GLY 107 H GLY 107 -0.751 13.200 5.709 698 HA2 GLY 107 HA2 GLY 107 0.511 15.504 5.967 699 HA3 GLY 107 HA3 GLY 107 1.431 14.862 4.598 700 H SER 108 H SER 108 -0.624 17.039 5.044 701 HA SER 108 HA SER 108 -0.999 17.710 2.622 702 HB3 SER 108 HB3 SER 108 -3.732 17.285 2.370 703 HG SER 108 HG SER 108 -2.505 15.358 1.094 704 H LYS 109 H LYS 109 -0.931 18.683 5.513 705 HA LYS 109 HA LYS 109 -3.182 20.595 5.503 706 HB3 LYS 109 HB3 LYS 109 -0.797 20.680 7.386 707 HG3 LYS 109 HG3 LYS 109 -3.717 21.553 7.435 708 HD3 LYS 109 HD3 LYS 109 -2.793 20.481 9.708 709 HE3 LYS 109 HE3 LYS 109 -2.035 22.306 11.197 710 HZ1 LYS 109 HZ1 LYS 109 -0.364 20.893 9.994 711 HZ2 LYS 109 HZ2 LYS 109 0.159 22.285 10.658 712 HZ3 LYS 109 HZ3 LYS 109 -0.057 22.197 9.021 713 H ARG 110 H ARG 110 -2.472 23.014 5.722 714 HA ARG 110 HA ARG 110 -0.048 23.633 4.210 715 HB3 ARG 110 HB3 ARG 110 -2.732 24.923 3.513 716 HG3 ARG 110 HG3 ARG 110 -1.245 24.914 1.230 717 HD3 ARG 110 HD3 ARG 110 -1.695 26.954 3.305 718 HE ARG 110 HE ARG 110 0.936 26.951 2.567 719 HH11 ARG 110 HH11 ARG 110 -1.592 28.862 1.057 720 HH12 ARG 110 HH12 ARG 110 -0.699 30.342 1.057 721 HH21 ARG 110 HH22 ARG 110 2.129 28.970 2.732 722 HH22 ARG 110 HH21 ARG 110 1.495 30.366 1.940 723 H ASP 111 H ASP 111 0.263 26.115 4.379 724 HA ASP 111 HA ASP 111 0.397 26.666 7.223 725 HB3 ASP 111 HB3 ASP 111 1.279 28.804 5.373 726 H MET 112 H MET 112 -0.831 28.158 8.346 727 HA MET 112 HA MET 112 -1.784 30.599 7.336 728 HB3 MET 112 HB3 MET 112 -4.098 28.824 8.133 729 HG3 MET 112 HG3 MET 112 -3.912 31.277 6.372 730 HE1 MET 112 HE1 MET 112 -6.380 32.849 7.708 731 HE2 MET 112 HE2 MET 112 -5.770 32.789 6.046 732 HE3 MET 112 HE3 MET 112 -7.497 32.488 6.372 733 H ALA 113 H ALA 113 -2.099 31.948 9.245 734 HA ALA 113 HA ALA 113 -3.473 30.801 11.466 735 HB1 ALA 113 HB1 ALA 113 -0.639 31.780 11.991 736 HB2 ALA 113 HB2 ALA 113 -1.849 31.426 13.236 737 HB3 ALA 113 HB3 ALA 113 -1.229 30.117 12.214 738 H SER 114 H SER 114 -4.604 32.401 12.578 739 HA SER 114 HA SER 114 -3.512 34.868 13.319 740 HB3 SER 114 HB3 SER 114 -5.744 35.970 12.586 741 HG SER 114 HG SER 114 -4.803 36.625 10.598 742 H ASN 115 H ASN 115 -5.232 35.725 15.001 743 HA ASN 115 HA ASN 115 -7.692 34.912 15.318 744 HB3 ASN 115 HB3 ASN 115 -7.357 33.548 17.662 745 HD21 ASN 115 HD22 ASN 115 -6.997 30.810 16.021 746 HD22 ASN 115 HD21 ASN 115 -8.696 30.603 15.631 747 H GLU 116 H GLU 116 -8.131 36.958 16.103 748 HA GLU 116 HA GLU 116 -7.551 37.507 18.889 749 HB3 GLU 116 HB3 GLU 116 -5.454 38.308 18.098 750 HG3 GLU 116 HG3 GLU 116 -5.771 40.343 16.305 751 H GLY 117 H GLY 117 -8.377 39.828 19.393 752 HA2 GLY 117 HA2 GLY 117 -9.834 41.600 19.106 753 HA3 GLY 117 HA3 GLY 117 -10.290 40.973 17.520 754 H SER 118 H SER 118 -10.589 39.916 20.987 755 HA SER 118 HA SER 118 -13.507 39.737 20.614 756 HB3 SER 118 HB3 SER 118 -12.055 37.327 21.723 757 HG SER 118 HG SER 118 -14.419 37.586 20.171 758 H ARG 119 H ARG 119 -12.479 41.749 22.030 759 HA ARG 119 HA ARG 119 -13.824 41.047 24.481 760 HB3 ARG 119 HB3 ARG 119 -11.205 42.471 25.040 761 HG3 ARG 119 HG3 ARG 119 -11.528 41.249 27.212 762 HD3 ARG 119 HD3 ARG 119 -13.525 42.353 28.114 763 HE ARG 119 HE ARG 119 -11.425 43.710 26.981 764 HH11 ARG 119 HH11 ARG 119 -14.861 44.558 27.161 765 HH12 ARG 119 HH12 ARG 119 -14.612 46.181 27.676 766 HH21 ARG 119 HH22 ARG 119 -11.049 45.939 27.374 767 HH22 ARG 119 HH21 ARG 119 -12.355 47.038 27.616 768 H ILE 120 H ILE 120 -15.392 42.295 23.527 769 HA ILE 120 HA ILE 120 -14.938 45.236 23.423 770 HB ILE 120 HB ILE 120 -17.087 45.331 22.187 771 HG13 ILE 120 HG13 ILE 120 -17.905 43.035 23.054 772 HG21 ILE 120 HG21 ILE 120 -14.946 43.620 20.872 773 HG22 ILE 120 HG22 ILE 120 -16.116 44.688 20.069 774 HG23 ILE 120 HG23 ILE 120 -14.878 45.381 21.114 775 HD11 ILE 120 HD11 ILE 120 -19.133 44.314 21.313 776 HD12 ILE 120 HD12 ILE 120 -18.137 43.546 20.055 777 HD13 ILE 120 HD13 ILE 120 -19.217 42.559 21.052 778 H SER 121 H SER 121 -17.699 45.964 23.866 779 HA SER 121 HA SER 121 -18.472 44.958 26.453 780 HB3 SER 121 HB3 SER 121 -18.017 47.931 26.187 781 HG SER 121 HG SER 121 -18.448 47.788 28.274 782 H ALA 122 H ALA 122 -20.740 45.919 26.893 783 HA ALA 122 HA ALA 122 -21.981 47.590 24.930 784 HB1 ALA 122 HB1 ALA 122 -22.223 45.397 23.765 785 HB2 ALA 122 HB2 ALA 122 -22.953 44.700 25.232 786 HB3 ALA 122 HB3 ALA 122 -23.789 45.987 24.339 787 H ALA 123 H ALA 123 -24.390 47.827 25.689 788 HA ALA 123 HA ALA 123 -25.121 46.846 28.271 789 HB1 ALA 123 HB1 ALA 123 -24.574 49.851 28.045 790 HB2 ALA 123 HB2 ALA 123 -25.509 49.073 29.343 791 HB3 ALA 123 HB3 ALA 123 -23.791 48.695 29.143 792 H SER 124 H SER 124 -26.057 49.915 26.597 793 HA SER 124 HA SER 124 -28.081 48.698 24.989 794 HB3 SER 124 HB3 SER 124 -29.796 50.410 26.177 795 HG SER 124 HG SER 124 -29.098 47.755 26.934 796 H VAL 125 H VAL 125 -29.100 50.449 23.627 797 HA VAL 125 HA VAL 125 -27.529 52.941 23.492 798 HB VAL 125 HB VAL 125 -27.877 50.978 21.182 799 HG11 VAL 125 HG11 VAL 125 -26.473 52.566 19.912 800 HG12 VAL 125 HG12 VAL 125 -27.944 53.366 20.466 801 HG13 VAL 125 HG13 VAL 125 -26.407 53.655 21.312 802 HG21 VAL 125 HG21 VAL 125 -25.358 51.733 22.708 803 HG22 VAL 125 HG22 VAL 125 -26.115 50.126 22.613 804 HG23 VAL 125 HG23 VAL 125 -25.393 50.837 21.172 805 H ALA 126 H ALA 126 -29.116 54.442 23.639 806 HA ALA 126 HA ALA 126 -31.476 54.294 21.891 807 HB1 ALA 126 HB1 ALA 126 -32.309 53.336 23.988 808 HB2 ALA 126 HB2 ALA 126 -31.575 54.659 24.926 809 HB3 ALA 126 HB3 ALA 126 -32.918 54.996 23.827 810 H SER 127 H SER 127 -30.585 55.998 20.676 811 HA SER 127 HA SER 127 -30.059 58.566 22.073 812 HB3 SER 127 HB3 SER 127 -28.025 57.153 20.303 813 HG SER 127 HG SER 127 -27.963 59.478 20.521 814 H THR 128 H THR 128 -32.096 57.520 19.916 815 HA THR 128 HA THR 128 -31.659 59.715 18.035 816 HB THR 128 HB THR 128 -30.424 57.941 16.996 817 HG1 THR 128 HG1 THR 128 -31.649 57.842 15.057 818 HG21 THR 128 HG21 THR 128 -31.509 55.920 17.987 819 HG22 THR 128 HG22 THR 128 -31.315 55.839 16.234 820 HG23 THR 128 HG23 THR 128 -32.905 56.184 16.922 821 H ALA 129 H ALA 129 -33.483 60.811 18.561 822 HA ALA 129 HA ALA 129 -36.052 59.553 17.995 823 HB1 ALA 129 HB1 ALA 129 -35.409 60.778 20.724 824 HB2 ALA 129 HB2 ALA 129 -37.053 60.551 20.088 825 HB3 ALA 129 HB3 ALA 129 -36.027 59.132 20.383 826 H ILE 130 H ILE 130 -36.419 60.970 16.250 827 HA ILE 130 HA ILE 130 -36.910 63.694 16.960 828 HB ILE 130 HB ILE 130 -34.499 63.740 16.329 829 HG13 ILE 130 HG13 ILE 130 -36.234 65.129 14.251 830 HG21 ILE 130 HG21 ILE 130 -34.433 61.819 14.771 831 HG22 ILE 130 HG22 ILE 130 -35.362 62.760 13.582 832 HG23 ILE 130 HG23 ILE 130 -33.734 63.278 14.060 833 HD11 ILE 130 HD11 ILE 130 -35.143 66.081 16.951 834 HD12 ILE 130 HD12 ILE 130 -35.909 67.114 15.725 835 HD13 ILE 130 HD13 ILE 130 -36.862 65.864 16.535 836 H ALA 131 H ALA 131 -38.253 64.653 15.387 837 HA ALA 131 HA ALA 131 -38.755 63.906 12.866 838 HB1 ALA 131 HB1 ALA 131 -41.164 63.350 14.669 839 HB2 ALA 131 HB2 ALA 131 -41.136 63.303 12.881 840 HB3 ALA 131 HB3 ALA 131 -40.257 62.077 13.798 Start of MODEL 6 1 H1 GLN 1 H1 GLN 1 -28.544 12.427 20.786 2 HA GLN 1 HA GLN 1 -29.249 13.131 18.527 3 HB3 GLN 1 HB3 GLN 1 -31.143 14.524 19.291 4 HG3 GLN 1 HG3 GLN 1 -28.968 16.479 20.149 5 HE21 GLN 1 HE22 GLN 1 -31.958 17.662 21.094 6 HE22 GLN 1 HE21 GLN 1 -31.993 18.901 19.896 7 H ALA 2 H ALA 2 -27.952 15.420 17.541 8 HA ALA 2 HA ALA 2 -25.890 15.714 16.802 9 HB1 ALA 2 HB1 ALA 2 -24.762 15.160 19.581 10 HB2 ALA 2 HB2 ALA 2 -23.983 16.000 18.243 11 HB3 ALA 2 HB3 ALA 2 -25.374 16.736 19.041 12 H GLN 3 H GLN 3 -23.605 14.258 17.103 13 HA GLN 3 HA GLN 3 -22.545 12.315 16.624 14 HB3 GLN 3 HB3 GLN 3 -25.187 10.796 16.863 15 HG3 GLN 3 HG3 GLN 3 -23.316 8.994 17.435 16 HE21 GLN 3 HE22 GLN 3 -25.206 7.823 16.639 17 HE22 GLN 3 HE21 GLN 3 -25.358 7.515 14.912 18 H GLY 4 H GLY 4 -21.860 12.058 14.522 19 HA2 GLY 4 HA2 GLY 4 -23.698 12.052 12.284 20 HA3 GLY 4 HA3 GLY 4 -22.911 13.619 12.543 21 H VAL 5 H VAL 5 -22.341 12.678 10.194 22 HA VAL 5 HA VAL 5 -20.146 10.820 10.127 23 HB VAL 5 HB VAL 5 -21.837 12.314 8.097 24 HG11 VAL 5 HG11 VAL 5 -20.843 10.913 6.313 25 HG12 VAL 5 HG12 VAL 5 -19.683 12.048 6.983 26 HG13 VAL 5 HG13 VAL 5 -19.610 10.332 7.457 27 HG21 VAL 5 HG21 VAL 5 -21.602 9.352 8.816 28 HG22 VAL 5 HG22 VAL 5 -22.937 10.448 9.252 29 HG23 VAL 5 HG23 VAL 5 -22.662 10.027 7.557 30 H LEU 6 H LEU 6 -18.294 11.333 9.163 31 HA LEU 6 HA LEU 6 -17.326 14.098 8.767 32 HB3 LEU 6 HB3 LEU 6 -15.427 13.866 10.157 33 HG LEU 6 HG LEU 6 -17.842 13.804 11.502 34 HD11 LEU 6 HD11 LEU 6 -17.752 11.341 11.808 35 HD12 LEU 6 HD12 LEU 6 -17.677 12.204 13.347 36 HD13 LEU 6 HD13 LEU 6 -16.200 11.514 12.643 37 HD21 LEU 6 HD21 LEU 6 -16.119 15.263 12.120 38 HD22 LEU 6 HD22 LEU 6 -15.074 13.925 12.643 39 HD23 LEU 6 HD23 LEU 6 -16.561 14.313 13.549 40 H ALA 7 H ALA 7 -15.492 14.084 7.212 41 HA ALA 7 HA ALA 7 -14.327 11.619 6.371 42 HB1 ALA 7 HB1 ALA 7 -15.808 13.014 4.124 43 HB2 ALA 7 HB2 ALA 7 -15.218 11.356 4.209 44 HB3 ALA 7 HB3 ALA 7 -16.687 11.818 5.099 45 H SER 8 H SER 8 -12.941 12.172 4.278 46 HA SER 8 HA SER 8 -12.389 14.870 3.746 47 HB3 SER 8 HB3 SER 8 -11.260 14.670 5.947 48 HG SER 8 HG SER 8 -10.425 12.414 5.422 49 H GLN 9 H GLN 9 -11.799 14.867 1.657 50 HA GLN 9 HA GLN 9 -11.247 12.581 0.037 51 HB3 GLN 9 HB3 GLN 9 -10.674 15.554 -0.275 52 HG3 GLN 9 HG3 GLN 9 -9.625 14.097 -2.157 53 HE21 GLN 9 HE22 GLN 9 -11.204 14.962 -4.526 54 HE22 GLN 9 HE21 GLN 9 -12.391 13.741 -4.921 55 H ALA 10 H ALA 10 -9.066 12.178 -1.132 56 HA ALA 10 HA ALA 10 -6.724 12.871 0.564 57 HB1 ALA 10 HB1 ALA 10 -7.243 10.583 1.052 58 HB2 ALA 10 HB2 ALA 10 -7.471 10.191 -0.675 59 HB3 ALA 10 HB3 ALA 10 -5.868 10.570 -0.030 60 H LEU 11 H LEU 11 -4.681 12.233 -0.684 61 HA LEU 11 HA LEU 11 -4.742 12.964 -3.523 62 HB3 LEU 11 HB3 LEU 11 -4.590 15.074 -2.368 63 HG LEU 11 HG LEU 11 -3.200 13.863 -0.330 64 HD11 LEU 11 HD11 LEU 11 -1.132 13.603 -1.694 65 HD12 LEU 11 HD12 LEU 11 -0.908 14.629 -0.292 66 HD13 LEU 11 HD13 LEU 11 -1.074 15.369 -1.899 67 HD21 LEU 11 HD21 LEU 11 -2.879 16.035 0.592 68 HD22 LEU 11 HD22 LEU 11 -4.391 16.043 -0.299 69 HD23 LEU 11 HD23 LEU 11 -2.945 16.803 -1.015 70 H SER 12 H SER 12 -2.509 12.706 -4.458 71 HA SER 12 HA SER 12 -0.963 10.512 -3.158 72 HB3 SER 12 HB3 SER 12 -0.581 9.635 -5.348 73 HG SER 12 HG SER 12 -2.741 9.208 -4.702 74 H GLN 13 H GLN 13 1.303 10.978 -2.976 75 HA GLN 13 HA GLN 13 2.312 13.414 -4.359 76 HB3 GLN 13 HB3 GLN 13 3.871 13.619 -2.351 77 HG3 GLN 13 HG3 GLN 13 1.464 14.377 -0.991 78 HE21 GLN 13 HE22 GLN 13 2.810 16.228 -3.748 79 HE22 GLN 13 HE21 GLN 13 3.926 17.168 -2.765 80 H GLY 14 H GLY 14 4.765 13.349 -4.393 81 HA2 GLY 14 HA2 GLY 14 5.683 10.713 -5.384 82 HA3 GLY 14 HA3 GLY 14 6.421 12.282 -5.686 83 H SER 15 H SER 15 7.490 13.402 -3.912 84 HA SER 15 HA SER 15 7.757 12.772 -1.340 85 HB3 SER 15 HB3 SER 15 8.972 10.855 -1.446 86 HG SER 15 HG SER 15 9.641 11.620 -3.998 87 H GLU 16 H GLU 16 8.797 14.543 -0.424 88 HA GLU 16 HA GLU 16 10.639 16.231 -1.899 89 HB3 GLU 16 HB3 GLU 16 8.768 17.330 -2.631 90 HG3 GLU 16 HG3 GLU 16 6.905 17.970 -0.732 91 HA PRO 17 HA PRO 17 12.091 16.971 2.280 92 HB3 PRO 17 HB3 PRO 17 13.931 17.942 1.302 93 HG3 PRO 17 HG3 PRO 17 13.732 19.407 -0.570 94 HD3 PRO 17 HD3 PRO 17 12.654 17.397 -1.180 95 H SER 18 H SER 18 9.408 18.666 1.114 96 HA SER 18 HA SER 18 8.990 20.273 3.568 97 HB3 SER 18 HB3 SER 18 6.814 20.764 2.565 98 HG SER 18 HG SER 18 8.795 21.871 1.872 99 H SER 19 H SER 19 7.440 19.581 5.185 100 HA SER 19 HA SER 19 6.975 16.739 5.430 101 HB3 SER 19 HB3 SER 19 7.412 17.731 7.441 102 HG SER 19 HG SER 19 6.653 19.703 8.121 103 H GLU 20 H GLU 20 6.005 16.831 3.260 104 HA GLU 20 HA GLU 20 4.308 16.614 1.822 105 HB3 GLU 20 HB3 GLU 20 4.751 14.628 3.197 106 HG3 GLU 20 HG3 GLU 20 2.960 13.590 4.454 107 H ASN 21 H ASN 21 1.545 15.981 2.227 108 HA ASN 21 HA ASN 21 0.378 18.681 2.802 109 HB3 ASN 21 HB3 ASN 21 -1.520 17.976 1.359 110 HD21 ASN 21 HD22 ASN 21 0.205 20.062 0.881 111 HD22 ASN 21 HD21 ASN 21 1.017 19.856 -0.657 112 H ALA 22 H ALA 22 -1.956 18.379 3.713 113 HA ALA 22 HA ALA 22 -1.664 16.630 6.018 114 HB1 ALA 22 HB1 ALA 22 -3.805 17.543 6.732 115 HB2 ALA 22 HB2 ALA 22 -2.655 18.847 6.329 116 HB3 ALA 22 HB3 ALA 22 -3.986 18.403 5.211 117 H ASN 23 H ASN 23 -1.778 14.481 5.272 118 HA ASN 23 HA ASN 23 -4.469 13.576 4.652 119 HB3 ASN 23 HB3 ASN 23 -2.122 12.874 2.840 120 HD21 ASN 23 HD22 ASN 23 -5.391 12.080 3.925 121 HD22 ASN 23 HD21 ASN 23 -5.764 11.100 2.525 122 H ASP 24 H ASP 24 -3.457 10.879 4.054 123 HA ASP 24 HA ASP 24 -2.390 9.890 6.573 124 HB3 ASP 24 HB3 ASP 24 -4.415 10.129 7.497 125 H THR 25 H THR 25 -1.003 8.640 5.622 126 HA THR 25 HA THR 25 -1.781 6.695 3.574 127 HB THR 25 HB THR 25 0.634 8.439 3.007 128 HG1 THR 25 HG1 THR 25 -0.771 9.964 2.901 129 HG21 THR 25 HG21 THR 25 -1.205 6.855 1.169 130 HG22 THR 25 HG22 THR 25 0.385 6.327 1.752 131 HG23 THR 25 HG23 THR 25 0.260 7.741 0.684 132 H ILE 26 H ILE 26 -0.198 4.948 3.603 133 HA ILE 26 HA ILE 26 1.726 5.034 5.872 134 HB ILE 26 HB ILE 26 0.132 2.889 4.520 135 HG13 ILE 26 HG13 ILE 26 -0.590 4.269 6.648 136 HG21 ILE 26 HG21 ILE 26 1.371 1.166 5.814 137 HG22 ILE 26 HG22 ILE 26 2.411 1.928 4.623 138 HG23 ILE 26 HG23 ILE 26 2.545 2.398 6.326 139 HD11 ILE 26 HD11 ILE 26 -0.758 1.250 6.372 140 HD12 ILE 26 HD12 ILE 26 -1.608 2.162 7.620 141 HD13 ILE 26 HD13 ILE 26 -1.949 2.479 5.892 142 H ILE 27 H ILE 27 3.886 4.070 5.391 143 HA ILE 27 HA ILE 27 4.656 4.122 2.562 144 HB ILE 27 HB ILE 27 5.053 6.370 3.748 145 HG13 ILE 27 HG13 ILE 27 7.280 4.880 2.335 146 HG21 ILE 27 HG21 ILE 27 6.783 6.630 5.288 147 HG22 ILE 27 HG22 ILE 27 5.814 5.300 5.917 148 HG23 ILE 27 HG23 ILE 27 7.364 4.959 5.088 149 HD11 ILE 27 HD11 ILE 27 6.988 6.793 0.759 150 HD12 ILE 27 HD12 ILE 27 5.472 5.887 0.970 151 HD13 ILE 27 HD13 ILE 27 5.723 7.449 1.794 152 H LEU 28 H LEU 28 6.867 2.981 2.439 153 HA LEU 28 HA LEU 28 7.278 1.048 4.679 154 HB3 LEU 28 HB3 LEU 28 7.873 -0.670 2.994 155 HG LEU 28 HG LEU 28 5.801 -1.422 2.181 156 HD11 LEU 28 HD11 LEU 28 6.191 -1.575 4.638 157 HD12 LEU 28 HD12 LEU 28 4.483 -1.599 4.182 158 HD13 LEU 28 HD13 LEU 28 5.195 -0.121 4.851 159 HD21 LEU 28 HD21 LEU 28 3.844 -0.310 1.894 160 HD22 LEU 28 HD22 LEU 28 4.966 0.974 1.455 161 HD23 LEU 28 HD23 LEU 28 4.196 0.973 3.047 162 H ARG 29 H ARG 29 9.516 0.241 4.703 163 HA ARG 29 HA ARG 29 11.523 1.719 3.161 164 HB3 ARG 29 HB3 ARG 29 12.763 2.082 5.422 165 HG3 ARG 29 HG3 ARG 29 10.308 3.827 4.900 166 HD3 ARG 29 HD3 ARG 29 12.633 3.998 6.838 167 HE ARG 29 HE ARG 29 11.933 6.176 5.220 168 HH11 ARG 29 HH11 ARG 29 11.302 5.957 8.736 169 HH12 ARG 29 HH12 ARG 29 12.446 7.176 9.098 170 HH21 ARG 29 HH22 ARG 29 12.808 8.196 5.772 171 HH22 ARG 29 HH21 ARG 29 12.748 8.732 7.413 172 H ASN 30 H ASN 30 13.654 0.628 3.507 173 HA ASN 30 HA ASN 30 15.117 -0.996 3.878 174 HB3 ASN 30 HB3 ASN 30 13.210 -2.232 5.911 175 HD21 ASN 30 HD22 ASN 30 14.094 -4.041 6.833 176 HD22 ASN 30 HD21 ASN 30 15.776 -4.520 6.871 177 H LEU 31 H LEU 31 13.210 -1.158 1.728 178 HA LEU 31 HA LEU 31 12.738 -4.078 1.436 179 HB3 LEU 31 HB3 LEU 31 11.618 -3.363 -0.721 180 HG LEU 31 HG LEU 31 10.726 -1.892 1.814 181 HD11 LEU 31 HD11 LEU 31 9.832 -0.695 -0.059 182 HD12 LEU 31 HD12 LEU 31 8.557 -1.614 0.759 183 HD13 LEU 31 HD13 LEU 31 9.212 -2.192 -0.792 184 HD21 LEU 31 HD21 LEU 31 10.662 -4.337 1.935 185 HD22 LEU 31 HD22 LEU 31 9.686 -4.405 0.442 186 HD23 LEU 31 HD23 LEU 31 9.034 -3.642 1.915 187 H ASN 32 H ASN 32 13.538 -5.125 -0.646 188 HA ASN 32 HA ASN 32 16.236 -4.087 -1.340 189 HB3 ASN 32 HB3 ASN 32 15.418 -6.586 -2.650 190 HD21 ASN 32 HD22 ASN 32 17.346 -7.959 -2.891 191 HD22 ASN 32 HD21 ASN 32 18.810 -7.528 -2.129 192 HA PRO 33 HA PRO 33 14.900 -2.711 -5.388 193 HB3 PRO 33 HB3 PRO 33 17.006 -2.376 -6.168 194 HG3 PRO 33 HG3 PRO 33 18.811 -3.707 -5.371 195 HD3 PRO 33 HD3 PRO 33 17.615 -2.984 -3.456 196 H HIS 34 H HIS 34 15.517 -6.115 -4.811 197 HA HIS 34 HA HIS 34 13.836 -7.078 -7.002 198 HB3 HIS 34 HB3 HIS 34 14.765 -9.298 -5.710 199 HD1 HIS 34 HD1 HIS 34 14.440 -9.384 -8.475 200 HD2 HIS 34 HD2 HIS 34 17.896 -7.579 -6.845 201 HE1 HIS 34 HE1 HIS 34 16.174 -9.278 -10.368 202 H SER 35 H SER 35 12.884 -6.045 -3.880 203 HA SER 35 HA SER 35 11.408 -8.349 -3.070 204 HB3 SER 35 HB3 SER 35 10.339 -6.916 -1.521 205 HG SER 35 HG SER 35 12.385 -7.412 -0.916 206 H THR 36 H THR 36 9.049 -8.247 -2.911 207 HA THR 36 HA THR 36 7.716 -6.930 -5.225 208 HB THR 36 HB THR 36 6.178 -8.896 -5.314 209 HG1 THR 36 HG1 THR 36 7.442 -9.686 -3.105 210 HG21 THR 36 HG21 THR 36 9.109 -9.449 -5.861 211 HG22 THR 36 HG22 THR 36 7.945 -8.598 -6.908 212 HG23 THR 36 HG23 THR 36 7.715 -10.313 -6.551 213 H MET 37 H MET 37 5.228 -7.126 -4.967 214 HA MET 37 HA MET 37 4.508 -5.600 -2.630 215 HB3 MET 37 HB3 MET 37 3.835 -5.494 -5.182 216 HG3 MET 37 HG3 MET 37 1.459 -7.039 -4.108 217 HE1 MET 37 HE1 MET 37 0.319 -4.714 -4.961 218 HE2 MET 37 HE2 MET 37 1.707 -4.035 -5.845 219 HE3 MET 37 HE3 MET 37 0.162 -4.294 -6.688 220 H ASP 38 H ASP 38 4.509 -9.024 -3.441 221 HA ASP 38 HA ASP 38 2.057 -9.561 -2.099 222 HB3 ASP 38 HB3 ASP 38 3.479 -12.022 -2.414 223 H SER 39 H SER 39 5.311 -9.418 -0.796 224 HA SER 39 HA SER 39 4.839 -10.704 1.688 225 HB3 SER 39 HB3 SER 39 7.006 -9.941 1.392 226 HG SER 39 HG SER 39 6.649 -7.282 1.010 227 H ILE 40 H ILE 40 3.337 -7.794 0.381 228 HA ILE 40 HA ILE 40 2.307 -7.038 3.060 229 HB ILE 40 HB ILE 40 1.921 -5.723 0.343 230 HG13 ILE 40 HG13 ILE 40 4.029 -5.432 2.484 231 HG21 ILE 40 HG21 ILE 40 0.114 -5.207 1.939 232 HG22 ILE 40 HG22 ILE 40 1.326 -4.719 3.140 233 HG23 ILE 40 HG23 ILE 40 1.124 -3.799 1.645 234 HD11 ILE 40 HD11 ILE 40 4.714 -6.246 0.206 235 HD12 ILE 40 HD12 ILE 40 4.076 -4.746 -0.487 236 HD13 ILE 40 HD13 ILE 40 5.454 -4.700 0.632 237 H LEU 41 H LEU 41 1.112 -7.960 -0.209 238 HA LEU 41 HA LEU 41 -1.581 -8.374 0.648 239 HB3 LEU 41 HB3 LEU 41 -1.923 -9.429 -1.534 240 HG LEU 41 HG LEU 41 -0.121 -6.977 -1.763 241 HD11 LEU 41 HD11 LEU 41 -2.226 -8.051 -3.662 242 HD12 LEU 41 HD12 LEU 41 -0.482 -8.300 -3.852 243 HD13 LEU 41 HD13 LEU 41 -1.146 -6.657 -3.918 244 HD21 LEU 41 HD21 LEU 41 -2.053 -6.439 -0.331 245 HD22 LEU 41 HD22 LEU 41 -3.159 -7.180 -1.505 246 HD23 LEU 41 HD23 LEU 41 -2.259 -5.700 -1.918 247 H GLY 42 H GLY 42 1.047 -10.282 1.440 248 HA2 GLY 42 HA2 GLY 42 -0.753 -12.504 2.258 249 HA3 GLY 42 HA3 GLY 42 0.820 -12.811 1.523 250 H ALA 43 H ALA 43 0.346 -10.079 3.741 251 HA ALA 43 HA ALA 43 1.005 -11.848 6.032 252 HB1 ALA 43 HB1 ALA 43 2.401 -10.169 7.126 253 HB2 ALA 43 HB2 ALA 43 3.064 -10.629 5.535 254 HB3 ALA 43 HB3 ALA 43 2.234 -9.078 5.743 255 H LEU 44 H LEU 44 -0.877 -9.180 4.695 256 HA LEU 44 HA LEU 44 -2.057 -8.739 7.408 257 HB3 LEU 44 HB3 LEU 44 -2.618 -6.536 6.780 258 HG LEU 44 HG LEU 44 -0.714 -5.313 6.635 259 HD11 LEU 44 HD11 LEU 44 0.352 -7.972 7.657 260 HD12 LEU 44 HD12 LEU 44 -0.553 -6.782 8.600 261 HD13 LEU 44 HD13 LEU 44 1.051 -6.393 7.925 262 HD21 LEU 44 HD21 LEU 44 0.032 -6.066 4.437 263 HD22 LEU 44 HD22 LEU 44 0.788 -7.491 5.164 264 HD23 LEU 44 HD23 LEU 44 1.368 -5.869 5.575 265 H ALA 45 H ALA 45 -2.796 -10.526 4.776 266 HA ALA 45 HA ALA 45 -5.138 -9.375 3.711 267 HB1 ALA 45 HB1 ALA 45 -3.895 -11.205 2.612 268 HB2 ALA 45 HB2 ALA 45 -4.459 -12.334 3.858 269 HB3 ALA 45 HB3 ALA 45 -5.626 -11.557 2.774 270 HA PRO 46 HA PRO 46 -7.899 -11.660 6.729 271 HB3 PRO 46 HB3 PRO 46 -6.988 -13.627 7.622 272 HG3 PRO 46 HG3 PRO 46 -4.673 -13.733 8.222 273 HD3 PRO 46 HD3 PRO 46 -4.714 -13.001 5.983 274 H TYR 47 H TYR 47 -5.631 -9.256 7.503 275 HA TYR 47 HA TYR 47 -7.195 -8.247 9.829 276 HB3 TYR 47 HB3 TYR 47 -5.173 -7.157 10.522 277 HD1 TYR 47 HD1 TYR 47 -6.390 -9.700 11.293 278 HD2 TYR 47 HD2 TYR 47 -2.516 -8.938 9.572 279 HE1 TYR 47 HE1 TYR 47 -5.608 -11.864 12.124 280 HE2 TYR 47 HE2 TYR 47 -1.691 -11.098 10.476 281 HH TYR 47 HH TYR 47 -3.813 -13.290 12.375 282 H ALA 48 H ALA 48 -7.167 -7.914 6.616 283 HA ALA 48 HA ALA 48 -7.705 -5.005 6.686 284 HB1 ALA 48 HB1 ALA 48 -5.863 -6.299 4.632 285 HB2 ALA 48 HB2 ALA 48 -6.263 -4.569 4.799 286 HB3 ALA 48 HB3 ALA 48 -5.299 -5.370 6.041 287 H VAL 49 H VAL 49 -8.674 -4.291 4.420 288 HA VAL 49 HA VAL 49 -9.772 -6.492 2.863 289 HB VAL 49 HB VAL 49 -11.427 -6.088 4.518 290 HG11 VAL 49 HG11 VAL 49 -11.796 -3.290 3.440 291 HG12 VAL 49 HG12 VAL 49 -12.786 -4.095 4.650 292 HG13 VAL 49 HG13 VAL 49 -11.089 -3.709 5.007 293 HG21 VAL 49 HG21 VAL 49 -12.260 -5.212 1.739 294 HG22 VAL 49 HG22 VAL 49 -12.002 -6.884 2.269 295 HG23 VAL 49 HG23 VAL 49 -13.327 -5.924 2.969 296 H LEU 50 H LEU 50 -7.986 -5.770 1.586 297 HA LEU 50 HA LEU 50 -8.570 -3.473 -0.183 298 HB3 LEU 50 HB3 LEU 50 -7.485 -2.387 1.600 299 HG LEU 50 HG LEU 50 -6.144 -4.305 2.599 300 HD11 LEU 50 HD11 LEU 50 -4.944 -5.229 0.716 301 HD12 LEU 50 HD12 LEU 50 -3.772 -4.492 1.785 302 HD13 LEU 50 HD13 LEU 50 -4.247 -3.638 0.305 303 HD21 LEU 50 HD21 LEU 50 -4.706 -1.686 2.011 304 HD22 LEU 50 HD22 LEU 50 -4.427 -2.779 3.412 305 HD23 LEU 50 HD23 LEU 50 -5.954 -1.922 3.251 306 H SER 51 H SER 51 -6.219 -3.393 -1.720 307 HA SER 51 HA SER 51 -5.289 -6.081 -2.174 308 HB3 SER 51 HB3 SER 51 -6.860 -4.956 -4.514 309 HG SER 51 HG SER 51 -6.379 -7.665 -3.774 310 H SER 52 H SER 52 -4.464 -5.800 -4.812 311 HA SER 52 HA SER 52 -2.016 -4.481 -4.616 312 HB3 SER 52 HB3 SER 52 -2.243 -6.341 -6.035 313 HG SER 52 HG SER 52 -3.736 -6.541 -7.603 314 H SER 53 H SER 53 -5.049 -2.953 -5.228 315 HA SER 53 HA SER 53 -4.076 -0.676 -6.737 316 HB3 SER 53 HB3 SER 53 -5.958 0.473 -5.336 317 HG SER 53 HG SER 53 -6.199 -1.540 -7.325 318 H ASN 54 H ASN 54 -4.557 -1.206 -3.222 319 HA ASN 54 HA ASN 54 -3.681 1.265 -2.373 320 HB3 ASN 54 HB3 ASN 54 -3.639 0.273 -0.150 321 HD21 ASN 54 HD22 ASN 54 -5.692 1.157 0.297 322 HD22 ASN 54 HD21 ASN 54 -7.159 0.364 -0.263 323 H VAL 55 H VAL 55 -1.996 -1.844 -2.491 324 HA VAL 55 HA VAL 55 0.448 -0.968 -1.234 325 HB VAL 55 HB VAL 55 -0.307 -3.543 -2.705 326 HG11 VAL 55 HG11 VAL 55 2.193 -3.216 -2.413 327 HG12 VAL 55 HG12 VAL 55 1.915 -3.120 -0.663 328 HG13 VAL 55 HG13 VAL 55 1.526 -4.603 -1.561 329 HG21 VAL 55 HG21 VAL 55 -1.800 -3.214 -0.824 330 HG22 VAL 55 HG22 VAL 55 -0.586 -4.392 -0.326 331 HG23 VAL 55 HG23 VAL 55 -0.459 -2.699 0.214 332 H ARG 56 H ARG 56 1.289 0.689 -2.434 333 HA ARG 56 HA ARG 56 1.779 0.160 -5.327 334 HB3 ARG 56 HB3 ARG 56 1.619 2.961 -4.197 335 HG3 ARG 56 HG3 ARG 56 2.129 2.482 -6.651 336 HD3 ARG 56 HD3 ARG 56 -0.502 1.061 -6.294 337 HE ARG 56 HE ARG 56 0.190 2.563 -8.768 338 HH11 ARG 56 HH11 ARG 56 -2.005 0.276 -7.109 339 HH12 ARG 56 HH12 ARG 56 -2.960 -0.036 -8.519 340 HH21 ARG 56 HH22 ARG 56 -1.386 2.492 -10.474 341 HH22 ARG 56 HH21 ARG 56 -2.696 1.355 -10.386 342 H VAL 57 H VAL 57 3.812 -0.328 -5.775 343 HA VAL 57 HA VAL 57 5.950 1.077 -4.274 344 HB VAL 57 HB VAL 57 5.899 -1.170 -3.722 345 HG11 VAL 57 HG11 VAL 57 6.138 -3.031 -5.259 346 HG12 VAL 57 HG12 VAL 57 4.640 -2.165 -5.572 347 HG13 VAL 57 HG13 VAL 57 6.039 -1.920 -6.642 348 HG21 VAL 57 HG21 VAL 57 8.172 -1.805 -4.292 349 HG22 VAL 57 HG22 VAL 57 8.149 -0.803 -5.750 350 HG23 VAL 57 HG23 VAL 57 8.110 -0.045 -4.145 351 H ILE 58 H ILE 58 6.486 2.745 -5.329 352 HA ILE 58 HA ILE 58 6.713 3.025 -8.218 353 HB ILE 58 HB ILE 58 7.890 4.588 -5.879 354 HG13 ILE 58 HG13 ILE 58 6.090 6.338 -7.055 355 HG21 ILE 58 HG21 ILE 58 7.773 5.487 -8.766 356 HG22 ILE 58 HG22 ILE 58 8.323 6.456 -7.388 357 HG23 ILE 58 HG23 ILE 58 9.241 5.034 -7.860 358 HD11 ILE 58 HD11 ILE 58 3.920 5.432 -7.056 359 HD12 ILE 58 HD12 ILE 58 4.844 4.447 -8.205 360 HD13 ILE 58 HD13 ILE 58 4.463 3.828 -6.579 361 H LYS 59 H LYS 59 8.664 3.008 -9.395 362 HA LYS 59 HA LYS 59 10.874 1.316 -8.305 363 HB3 LYS 59 HB3 LYS 59 11.163 0.586 -10.710 364 HG3 LYS 59 HG3 LYS 59 8.382 0.038 -9.545 365 HD3 LYS 59 HD3 LYS 59 8.560 -2.111 -10.711 366 HE3 LYS 59 HE3 LYS 59 8.860 0.216 -12.655 367 HZ1 LYS 59 HZ1 LYS 59 7.350 -2.308 -12.854 368 HZ2 LYS 59 HZ2 LYS 59 8.752 -1.974 -13.672 369 HZ3 LYS 59 HZ3 LYS 59 7.382 -1.130 -13.983 370 H ASP 60 H ASP 60 12.992 1.752 -9.559 371 HA ASP 60 HA ASP 60 13.503 4.606 -9.410 372 HB3 ASP 60 HB3 ASP 60 15.304 2.352 -10.351 373 H LYS 61 H LYS 61 14.828 5.653 -11.068 374 HA LYS 61 HA LYS 61 13.547 5.622 -13.716 375 HB3 LYS 61 HB3 LYS 61 15.413 7.522 -12.295 376 HG3 LYS 61 HG3 LYS 61 13.769 7.761 -14.863 377 HD3 LYS 61 HD3 LYS 61 15.515 9.843 -13.513 378 HE3 LYS 61 HE3 LYS 61 13.676 10.130 -15.927 379 HZ1 LYS 61 HZ1 LYS 61 14.407 12.208 -14.871 380 HZ2 LYS 61 HZ2 LYS 61 15.117 12.025 -16.321 381 HZ3 LYS 61 HZ3 LYS 61 15.977 11.716 -14.959 382 H GLN 62 H GLN 62 16.788 5.111 -12.008 383 HA GLN 62 HA GLN 62 18.250 5.244 -14.498 384 HB3 GLN 62 HB3 GLN 62 20.132 4.659 -13.235 385 HG3 GLN 62 HG3 GLN 62 18.384 6.261 -11.316 386 HE21 GLN 62 HE22 GLN 62 21.768 5.141 -12.081 387 HE22 GLN 62 HE21 GLN 62 22.340 5.599 -10.520 388 H THR 63 H THR 63 17.224 2.817 -12.086 389 HA THR 63 HA THR 63 17.489 0.645 -14.087 390 HB THR 63 HB THR 63 17.685 -0.712 -11.932 391 HG1 THR 63 HG1 THR 63 16.833 0.778 -10.379 392 HG21 THR 63 HG21 THR 63 19.618 0.128 -13.279 393 HG22 THR 63 HG22 THR 63 19.985 0.005 -11.547 394 HG23 THR 63 HG23 THR 63 19.641 1.601 -12.269 395 H GLN 64 H GLN 64 16.031 -1.179 -13.725 396 HA GLN 64 HA GLN 64 13.234 -0.228 -13.269 397 HB3 GLN 64 HB3 GLN 64 12.645 -2.155 -14.744 398 HG3 GLN 64 HG3 GLN 64 13.464 -1.157 -16.852 399 HE21 GLN 64 HE22 GLN 64 14.131 1.842 -15.249 400 HE22 GLN 64 HE21 GLN 64 12.499 2.438 -15.222 401 H LEU 65 H LEU 65 14.312 -0.362 -11.049 402 HA LEU 65 HA LEU 65 13.650 -2.994 -9.778 403 HB3 LEU 65 HB3 LEU 65 15.580 -2.503 -8.274 404 HG LEU 65 HG LEU 65 16.390 -2.644 -11.208 405 HD11 LEU 65 HD11 LEU 65 18.088 -3.030 -8.722 406 HD12 LEU 65 HD12 LEU 65 18.108 -1.625 -9.796 407 HD13 LEU 65 HD13 LEU 65 18.612 -3.210 -10.415 408 HD21 LEU 65 HD21 LEU 65 15.133 -4.633 -10.416 409 HD22 LEU 65 HD22 LEU 65 16.283 -4.843 -9.082 410 HD23 LEU 65 HD23 LEU 65 16.837 -5.012 -10.756 411 H ASN 66 H ASN 66 13.362 -2.632 -7.348 412 HA ASN 66 HA ASN 66 11.646 -0.325 -6.859 413 HB3 ASN 66 HB3 ASN 66 11.586 -1.034 -4.519 414 HD21 ASN 66 HD22 ASN 66 12.079 -4.065 -4.333 415 HD22 ASN 66 HD21 ASN 66 10.752 -4.780 -5.241 416 H ARG 67 H ARG 67 12.082 1.393 -5.353 417 HA ARG 67 HA ARG 67 14.910 2.287 -5.072 418 HB3 ARG 67 HB3 ARG 67 13.604 4.460 -4.363 419 HG3 ARG 67 HG3 ARG 67 13.403 3.527 -7.225 420 HD3 ARG 67 HD3 ARG 67 12.910 6.082 -5.902 421 HE ARG 67 HE ARG 67 15.117 6.037 -7.937 422 HH11 ARG 67 HH11 ARG 67 13.144 8.051 -5.704 423 HH12 ARG 67 HH12 ARG 67 14.389 9.247 -5.558 424 HH21 ARG 67 HH22 ARG 67 16.777 7.567 -7.534 425 HH22 ARG 67 HH21 ARG 67 16.496 8.893 -6.480 426 H GLY 68 H GLY 68 13.355 0.160 -3.434 427 HA2 GLY 68 HA2 GLY 68 13.753 -0.624 -1.320 428 HA3 GLY 68 HA3 GLY 68 14.621 0.852 -0.944 429 H PHE 69 H PHE 69 11.479 1.646 -2.022 430 HA PHE 69 HA PHE 69 10.349 1.671 0.708 431 HB3 PHE 69 HB3 PHE 69 11.488 3.925 0.073 432 HD1 PHE 69 HD1 PHE 69 11.304 3.628 -2.793 433 HD2 PHE 69 HD2 PHE 69 8.454 5.469 -0.138 434 HE1 PHE 69 HE1 PHE 69 10.343 4.901 -4.692 435 HE2 PHE 69 HE2 PHE 69 7.512 6.755 -2.034 436 HZ PHE 69 HZ PHE 69 8.448 6.456 -4.320 437 H ALA 70 H ALA 70 7.904 2.471 0.421 438 HA ALA 70 HA ALA 70 6.794 2.169 -2.169 439 HB1 ALA 70 HB1 ALA 70 6.856 -0.222 -1.741 440 HB2 ALA 70 HB2 ALA 70 6.121 -0.019 -0.156 441 HB3 ALA 70 HB3 ALA 70 5.177 0.323 -1.618 442 H PHE 71 H PHE 71 4.217 2.330 -1.811 443 HA PHE 71 HA PHE 71 3.561 4.155 0.444 444 HB3 PHE 71 HB3 PHE 71 1.749 4.771 -1.484 445 HD1 PHE 71 HD2 PHE 71 2.600 6.232 0.755 446 HD2 PHE 71 HD1 PHE 71 4.204 6.364 -3.266 447 HE1 PHE 71 HE2 PHE 71 3.321 8.528 1.119 448 HE2 PHE 71 HE1 PHE 71 4.965 8.683 -2.849 449 HZ PHE 71 HZ PHE 71 4.523 9.788 -0.683 450 H ILE 72 H ILE 72 1.442 3.775 1.266 451 HA ILE 72 HA ILE 72 -0.228 1.673 0.085 452 HB ILE 72 HB ILE 72 0.808 1.799 2.885 453 HG13 ILE 72 HG13 ILE 72 1.896 0.376 1.218 454 HG21 ILE 72 HG21 ILE 72 -1.657 1.810 3.168 455 HG22 ILE 72 HG22 ILE 72 -1.793 0.444 2.044 456 HG23 ILE 72 HG23 ILE 72 -0.998 0.261 3.633 457 HD11 ILE 72 HD11 ILE 72 1.835 -0.370 3.612 458 HD12 ILE 72 HD12 ILE 72 0.448 -1.394 3.173 459 HD13 ILE 72 HD13 ILE 72 2.012 -1.672 2.416 460 H GLN 73 H GLN 73 -1.906 2.781 -0.600 461 HA GLN 73 HA GLN 73 -2.800 5.252 0.677 462 HB3 GLN 73 HB3 GLN 73 -4.059 3.572 -1.537 463 HG3 GLN 73 HG3 GLN 73 -4.440 6.413 -1.837 464 HE21 GLN 73 HE22 GLN 73 -6.966 4.955 0.067 465 HE22 GLN 73 HE21 GLN 73 -7.877 4.312 -1.277 466 H LEU 74 H LEU 74 -4.532 5.449 2.105 467 HA LEU 74 HA LEU 74 -6.396 3.320 2.586 468 HB3 LEU 74 HB3 LEU 74 -4.957 3.654 5.151 469 HG LEU 74 HG LEU 74 -5.880 1.387 3.320 470 HD11 LEU 74 HD11 LEU 74 -3.946 1.048 5.635 471 HD12 LEU 74 HD12 LEU 74 -3.660 0.706 3.912 472 HD13 LEU 74 HD13 LEU 74 -4.832 -0.259 4.814 473 HD21 LEU 74 HD21 LEU 74 -6.286 2.005 6.266 474 HD22 LEU 74 HD22 LEU 74 -6.999 0.631 5.398 475 HD23 LEU 74 HD23 LEU 74 -7.487 2.270 4.967 476 H SER 75 H SER 75 -6.899 4.255 5.428 477 HA SER 75 HA SER 75 -8.125 6.886 4.803 478 HB3 SER 75 HB3 SER 75 -9.507 4.468 6.039 479 HG SER 75 HG SER 75 -11.384 5.854 5.599 480 H THR 76 H THR 76 -9.035 7.888 6.869 481 HA THR 76 HA THR 76 -6.807 8.681 8.129 482 HB THR 76 HB THR 76 -8.438 9.813 9.809 483 HG1 THR 76 HG1 THR 76 -10.566 9.786 8.411 484 HG21 THR 76 HG21 THR 76 -8.730 10.221 6.810 485 HG22 THR 76 HG22 THR 76 -7.457 10.888 7.854 486 HG23 THR 76 HG23 THR 76 -9.123 11.415 8.082 487 H ILE 77 H ILE 77 -9.285 6.770 9.938 488 HA ILE 77 HA ILE 77 -7.420 6.502 12.191 489 HB ILE 77 HB ILE 77 -10.147 5.268 11.644 490 HG13 ILE 77 HG13 ILE 77 -10.174 7.689 12.013 491 HG21 ILE 77 HG21 ILE 77 -8.434 5.105 14.169 492 HG22 ILE 77 HG22 ILE 77 -10.104 4.503 14.002 493 HG23 ILE 77 HG23 ILE 77 -8.817 3.747 13.084 494 HD11 ILE 77 HD11 ILE 77 -10.902 6.517 14.717 495 HD12 ILE 77 HD12 ILE 77 -11.553 7.954 13.927 496 HD13 ILE 77 HD13 ILE 77 -11.914 6.342 13.261 497 H GLU 78 H GLU 78 -8.463 4.543 9.424 498 HA GLU 78 HA GLU 78 -7.492 2.090 10.381 499 HB3 GLU 78 HB3 GLU 78 -7.647 1.387 7.975 500 HG3 GLU 78 HG3 GLU 78 -9.826 2.841 9.449 501 H ALA 79 H ALA 79 -5.876 4.668 8.609 502 HA ALA 79 HA ALA 79 -3.534 3.206 7.798 503 HB1 ALA 79 HB1 ALA 79 -3.974 6.212 8.235 504 HB2 ALA 79 HB2 ALA 79 -2.576 5.487 7.424 505 HB3 ALA 79 HB3 ALA 79 -4.190 5.337 6.702 506 H ALA 80 H ALA 80 -4.626 4.668 10.774 507 HA ALA 80 HA ALA 80 -1.910 4.734 11.830 508 HB1 ALA 80 HB1 ALA 80 -3.349 6.728 12.113 509 HB2 ALA 80 HB2 ALA 80 -4.518 5.750 13.030 510 HB3 ALA 80 HB3 ALA 80 -2.887 6.035 13.680 511 H GLN 81 H GLN 81 -5.089 3.175 12.442 512 HA GLN 81 HA GLN 81 -4.249 1.832 14.818 513 HB3 GLN 81 HB3 GLN 81 -6.640 2.355 14.023 514 HG3 GLN 81 HG3 GLN 81 -6.419 -0.423 12.813 515 HE21 GLN 81 HE22 GLN 81 -8.422 -0.563 11.086 516 HE22 GLN 81 HE21 GLN 81 -9.947 -0.169 11.816 517 H LEU 82 H LEU 82 -4.245 0.878 11.335 518 HA LEU 82 HA LEU 82 -3.644 -1.883 11.791 519 HB3 LEU 82 HB3 LEU 82 -2.927 -1.762 9.358 520 HG LEU 82 HG LEU 82 -5.678 -0.689 10.096 521 HD11 LEU 82 HD11 LEU 82 -4.769 -1.710 7.370 522 HD12 LEU 82 HD12 LEU 82 -4.986 -0.002 7.785 523 HD13 LEU 82 HD13 LEU 82 -6.379 -1.076 7.826 524 HD21 LEU 82 HD21 LEU 82 -6.427 -2.975 9.523 525 HD22 LEU 82 HD22 LEU 82 -5.261 -3.006 10.846 526 HD23 LEU 82 HD23 LEU 82 -4.749 -3.456 9.206 527 H LEU 83 H LEU 83 -1.534 1.055 11.188 528 HA LEU 83 HA LEU 83 0.680 -0.512 10.692 529 HB3 LEU 83 HB3 LEU 83 0.614 2.278 11.874 530 HG LEU 83 HG LEU 83 2.597 0.508 10.767 531 HD11 LEU 83 HD11 LEU 83 2.229 2.883 8.989 532 HD12 LEU 83 HD12 LEU 83 1.767 1.222 8.557 533 HD13 LEU 83 HD13 LEU 83 3.473 1.612 8.873 534 HD21 LEU 83 HD21 LEU 83 4.137 2.298 11.254 535 HD22 LEU 83 HD22 LEU 83 2.891 2.174 12.526 536 HD23 LEU 83 HD23 LEU 83 2.784 3.468 11.309 537 H GLN 84 H GLN 84 -0.772 0.453 13.759 538 HA GLN 84 HA GLN 84 1.549 -0.199 15.372 539 HB3 GLN 84 HB3 GLN 84 -0.615 -0.476 17.046 540 HG3 GLN 84 HG3 GLN 84 1.410 0.979 17.308 541 HE21 GLN 84 HE22 GLN 84 -0.277 3.802 17.417 542 HE22 GLN 84 HE21 GLN 84 0.407 4.601 16.008 543 H ILE 85 H ILE 85 -1.355 -2.001 14.259 544 HA ILE 85 HA ILE 85 -0.856 -4.434 15.646 545 HB ILE 85 HB ILE 85 -2.197 -3.945 12.965 546 HG13 ILE 85 HG13 ILE 85 -3.180 -2.917 15.144 547 HG21 ILE 85 HG21 ILE 85 -1.441 -6.281 13.064 548 HG22 ILE 85 HG22 ILE 85 -2.124 -6.461 14.690 549 HG23 ILE 85 HG23 ILE 85 -3.178 -6.232 13.278 550 HD11 ILE 85 HD11 ILE 85 -5.477 -3.703 14.720 551 HD12 ILE 85 HD12 ILE 85 -4.651 -3.148 13.258 552 HD13 ILE 85 HD13 ILE 85 -4.871 -4.880 13.560 553 H LEU 86 H LEU 86 0.309 -3.149 12.548 554 HA LEU 86 HA LEU 86 1.714 -5.417 11.664 555 HB3 LEU 86 HB3 LEU 86 3.130 -3.396 10.505 556 HG LEU 86 HG LEU 86 1.634 -5.115 9.472 557 HD11 LEU 86 HD11 LEU 86 -0.663 -4.421 8.810 558 HD12 LEU 86 HD12 LEU 86 -0.478 -2.923 9.734 559 HD13 LEU 86 HD13 LEU 86 -0.526 -4.488 10.572 560 HD21 LEU 86 HD21 LEU 86 1.231 -3.715 7.463 561 HD22 LEU 86 HD22 LEU 86 2.846 -3.477 8.151 562 HD23 LEU 86 HD23 LEU 86 1.582 -2.271 8.447 563 H GLN 87 H GLN 87 2.723 -3.250 14.214 564 HA GLN 87 HA GLN 87 5.562 -3.653 13.769 565 HB3 GLN 87 HB3 GLN 87 5.878 -2.579 15.868 566 HG3 GLN 87 HG3 GLN 87 3.359 -1.279 14.821 567 HE21 GLN 87 HE22 GLN 87 4.403 1.107 13.997 568 HE22 GLN 87 HE21 GLN 87 5.255 1.899 15.312 569 H ALA 88 H ALA 88 3.202 -5.853 14.623 570 HA ALA 88 HA ALA 88 4.975 -7.419 16.435 571 HB1 ALA 88 HB1 ALA 88 2.961 -8.013 17.638 572 HB2 ALA 88 HB2 ALA 88 3.076 -6.255 17.560 573 HB3 ALA 88 HB3 ALA 88 1.950 -7.118 16.481 574 H LEU 89 H LEU 89 4.645 -7.540 13.403 575 HA LEU 89 HA LEU 89 4.424 -10.401 13.318 576 HB3 LEU 89 HB3 LEU 89 2.071 -9.779 12.929 577 HG LEU 89 HG LEU 89 3.008 -7.693 11.238 578 HD11 LEU 89 HD11 LEU 89 3.512 -9.294 9.493 579 HD12 LEU 89 HD12 LEU 89 2.194 -8.208 9.056 580 HD13 LEU 89 HD13 LEU 89 1.832 -9.884 9.536 581 HD21 LEU 89 HD21 LEU 89 0.850 -7.734 12.447 582 HD22 LEU 89 HD22 LEU 89 0.245 -8.977 11.316 583 HD23 LEU 89 HD23 LEU 89 0.621 -7.344 10.735 584 H HIS 90 H HIS 90 5.097 -11.183 11.070 585 HA HIS 90 HA HIS 90 6.715 -9.223 9.561 586 HB3 HIS 90 HB3 HIS 90 8.423 -11.065 9.264 587 HD1 HIS 90 HD1 HIS 90 10.215 -9.340 9.975 588 HD2 HIS 90 HD2 HIS 90 7.758 -10.740 13.096 589 HE1 HIS 90 HE1 HIS 90 11.228 -8.443 12.142 590 HA PRO 91 HA PRO 91 4.681 -11.664 6.379 591 HB3 PRO 91 HB3 PRO 91 5.041 -9.835 4.984 592 HG3 PRO 91 HG3 PRO 91 7.035 -8.620 4.964 593 HD3 PRO 91 HD3 PRO 91 6.254 -8.559 7.184 594 HA PRO 92 HA PRO 92 7.322 -15.243 5.612 595 HB3 PRO 92 HB3 PRO 92 5.473 -16.431 5.028 596 HG3 PRO 92 HG3 PRO 92 3.623 -15.438 3.941 597 HD3 PRO 92 HD3 PRO 92 4.003 -13.920 5.672 598 H LEU 93 H LEU 93 6.381 -13.461 2.649 599 HA LEU 93 HA LEU 93 8.655 -14.066 1.059 600 HB3 LEU 93 HB3 LEU 93 7.796 -11.590 0.149 601 HG LEU 93 HG LEU 93 6.214 -12.541 -1.347 602 HD11 LEU 93 HD11 LEU 93 8.759 -14.187 -1.161 603 HD12 LEU 93 HD12 LEU 93 8.580 -12.576 -1.905 604 HD13 LEU 93 HD13 LEU 93 7.745 -13.981 -2.593 605 HD21 LEU 93 HD21 LEU 93 6.621 -15.179 0.103 606 HD22 LEU 93 HD22 LEU 93 5.709 -14.921 -1.398 607 HD23 LEU 93 HD23 LEU 93 5.153 -14.162 0.097 608 H THR 94 H THR 94 10.721 -13.668 1.963 609 HA THR 94 HA THR 94 11.349 -10.820 2.292 610 HB THR 94 HB THR 94 12.304 -12.840 4.300 611 HG1 THR 94 HG1 THR 94 10.340 -12.631 5.009 612 HG21 THR 94 HG21 THR 94 12.255 -9.798 4.340 613 HG22 THR 94 HG22 THR 94 13.674 -10.785 3.920 614 HG23 THR 94 HG23 THR 94 13.001 -10.859 5.556 615 H ILE 95 H ILE 95 12.542 -10.623 0.669 616 HA ILE 95 HA ILE 95 14.575 -12.579 -0.226 617 HB ILE 95 HB ILE 95 12.956 -11.587 -1.821 618 HG13 ILE 95 HG13 ILE 95 14.261 -11.478 -3.615 619 HG21 ILE 95 HG21 ILE 95 12.514 -9.429 -1.042 620 HG22 ILE 95 HG22 ILE 95 14.229 -8.929 -1.198 621 HG23 ILE 95 HG23 ILE 95 13.257 -9.290 -2.637 622 HD11 ILE 95 HD11 ILE 95 16.564 -10.269 -2.054 623 HD12 ILE 95 HD12 ILE 95 16.549 -10.766 -3.761 624 HD13 ILE 95 HD13 ILE 95 15.543 -9.420 -3.223 625 H ASP 96 H ASP 96 16.781 -12.080 -0.124 626 HA ASP 96 HA ASP 96 18.649 -11.440 0.909 627 HB3 ASP 96 HB3 ASP 96 19.011 -8.829 0.923 628 H GLY 97 H GLY 97 16.276 -11.863 2.729 629 HA2 GLY 97 HA2 GLY 97 15.686 -11.546 4.940 630 HA3 GLY 97 HA3 GLY 97 17.361 -11.051 5.209 631 H LYS 98 H LYS 98 15.318 -9.247 2.940 632 HA LYS 98 HA LYS 98 15.708 -6.825 4.564 633 HB3 LYS 98 HB3 LYS 98 14.698 -5.676 2.581 634 HG3 LYS 98 HG3 LYS 98 16.495 -6.373 0.965 635 HD3 LYS 98 HD3 LYS 98 18.479 -5.768 2.419 636 HE3 LYS 98 HE3 LYS 98 16.076 -3.907 2.615 637 HZ1 LYS 98 HZ1 LYS 98 18.898 -3.189 2.243 638 HZ2 LYS 98 HZ2 LYS 98 18.250 -3.320 3.753 639 HZ3 LYS 98 HZ3 LYS 98 17.673 -2.200 2.742 640 H THR 99 H THR 99 14.581 -7.295 6.243 641 HA THR 99 HA THR 99 11.799 -7.977 6.463 642 HB THR 99 HB THR 99 12.399 -7.018 8.904 643 HG1 THR 99 HG1 THR 99 14.413 -6.285 8.946 644 HG21 THR 99 HG21 THR 99 13.662 -9.515 7.667 645 HG22 THR 99 HG22 THR 99 12.087 -9.401 8.477 646 HG23 THR 99 HG23 THR 99 13.560 -9.184 9.403 647 H ILE 100 H ILE 100 9.998 -6.659 6.728 648 HA ILE 100 HA ILE 100 10.308 -4.052 5.498 649 HB ILE 100 HB ILE 100 7.728 -5.173 6.611 650 HG13 ILE 100 HG13 ILE 100 7.384 -6.315 4.412 651 HG21 ILE 100 HG21 ILE 100 6.774 -3.992 4.654 652 HG22 ILE 100 HG22 ILE 100 7.682 -2.902 5.713 653 HG23 ILE 100 HG23 ILE 100 8.402 -3.444 4.187 654 HD11 ILE 100 HD11 ILE 100 9.798 -7.117 3.521 655 HD12 ILE 100 HD12 ILE 100 8.892 -5.798 2.774 656 HD13 ILE 100 HD13 ILE 100 10.239 -5.446 3.885 657 H ASN 101 H ASN 101 10.485 -2.159 6.446 658 HA ASN 101 HA ASN 101 10.291 -1.872 9.370 659 HB3 ASN 101 HB3 ASN 101 10.629 0.682 8.409 660 HD21 ASN 101 HD22 ASN 101 11.660 0.736 10.382 661 HD22 ASN 101 HD21 ASN 101 13.214 -0.028 10.718 662 H VAL 102 H VAL 102 8.995 0.117 10.194 663 HA VAL 102 HA VAL 102 6.275 0.010 8.992 664 HB VAL 102 HB VAL 102 6.941 -0.445 11.931 665 HG11 VAL 102 HG11 VAL 102 4.465 -1.379 11.727 666 HG12 VAL 102 HG12 VAL 102 4.746 0.349 11.833 667 HG13 VAL 102 HG13 VAL 102 4.427 -0.441 10.247 668 HG21 VAL 102 HG21 VAL 102 7.646 -2.434 10.602 669 HG22 VAL 102 HG22 VAL 102 6.220 -2.737 11.612 670 HG23 VAL 102 HG23 VAL 102 6.013 -2.468 9.868 671 H GLU 103 H GLU 103 5.780 2.094 8.446 672 HA GLU 103 HA GLU 103 5.752 4.096 10.502 673 HB3 GLU 103 HB3 GLU 103 7.395 4.666 7.990 674 HG3 GLU 103 HG3 GLU 103 7.256 5.998 10.737 675 H PHE 104 H PHE 104 4.408 5.898 9.835 676 HA PHE 104 HA PHE 104 3.166 5.600 7.154 677 HB3 PHE 104 HB3 PHE 104 1.503 4.851 8.486 678 HD1 PHE 104 HD1 PHE 104 2.117 8.237 9.963 679 HD2 PHE 104 HD2 PHE 104 0.637 4.266 10.471 680 HE1 PHE 104 HE1 PHE 104 1.900 8.639 12.423 681 HE2 PHE 104 HE2 PHE 104 0.457 4.590 12.915 682 HZ PHE 104 HZ PHE 104 1.144 6.774 13.918 683 H ALA 105 H ALA 105 2.304 7.654 6.309 684 HA ALA 105 HA ALA 105 4.171 9.894 6.929 685 HB1 ALA 105 HB1 ALA 105 4.111 10.331 4.501 686 HB2 ALA 105 HB2 ALA 105 4.679 8.681 4.828 687 HB3 ALA 105 HB3 ALA 105 3.008 8.958 4.265 688 H LYS 106 H LYS 106 1.380 9.320 7.945 689 HA LYS 106 HA LYS 106 -0.413 11.214 6.739 690 HB3 LYS 106 HB3 LYS 106 -1.026 9.312 8.264 691 HG3 LYS 106 HG3 LYS 106 0.481 9.813 10.261 692 HD3 LYS 106 HD3 LYS 106 -1.420 12.112 10.345 693 HE3 LYS 106 HE3 LYS 106 -2.022 10.935 12.414 694 HZ1 LYS 106 HZ1 LYS 106 -0.035 9.940 13.077 695 HZ2 LYS 106 HZ2 LYS 106 -0.394 11.063 14.202 696 HZ3 LYS 106 HZ3 LYS 106 0.815 11.384 13.121 697 H GLY 107 H GLY 107 -1.160 13.204 7.751 698 HA2 GLY 107 HA2 GLY 107 1.022 14.665 9.155 699 HA3 GLY 107 HA3 GLY 107 -0.139 15.420 8.053 700 H SER 108 H SER 108 -2.261 16.003 8.917 701 HA SER 108 HA SER 108 -3.194 14.781 11.335 702 HB3 SER 108 HB3 SER 108 -2.597 17.759 11.401 703 HG SER 108 HG SER 108 -3.138 17.516 13.584 704 H LYS 109 H LYS 109 -5.387 14.929 11.345 705 HA LYS 109 HA LYS 109 -6.860 17.175 10.613 706 HB3 LYS 109 HB3 LYS 109 -8.326 15.540 8.908 707 HG3 LYS 109 HG3 LYS 109 -6.499 17.864 8.557 708 HD3 LYS 109 HD3 LYS 109 -5.904 16.251 6.659 709 HE3 LYS 109 HE3 LYS 109 -8.606 17.230 5.630 710 HZ1 LYS 109 HZ1 LYS 109 -6.650 16.824 4.094 711 HZ2 LYS 109 HZ2 LYS 109 -8.013 16.002 3.712 712 HZ3 LYS 109 HZ3 LYS 109 -6.785 15.222 4.496 713 H ARG 110 H ARG 110 -8.544 17.133 11.984 714 HA ARG 110 HA ARG 110 -10.003 14.690 12.452 715 HB3 ARG 110 HB3 ARG 110 -8.426 14.422 14.252 716 HG3 ARG 110 HG3 ARG 110 -8.422 17.319 14.547 717 HD3 ARG 110 HD3 ARG 110 -8.484 17.314 17.071 718 HE ARG 110 HE ARG 110 -11.175 16.511 16.501 719 HH11 ARG 110 HH11 ARG 110 -8.804 19.181 16.162 720 HH12 ARG 110 HH12 ARG 110 -9.973 20.373 15.689 721 HH21 ARG 110 HH22 ARG 110 -12.754 18.228 16.006 722 HH22 ARG 110 HH21 ARG 110 -12.186 19.683 15.260 723 H ASP 111 H ASP 111 -12.082 15.196 13.524 724 HA ASP 111 HA ASP 111 -12.927 17.987 13.716 725 HB3 ASP 111 HB3 ASP 111 -14.978 17.308 12.281 726 H MET 112 H MET 112 -15.111 18.039 14.812 727 HA MET 112 HA MET 112 -16.369 15.592 15.642 728 HB3 MET 112 HB3 MET 112 -15.166 17.370 17.817 729 HG3 MET 112 HG3 MET 112 -16.464 14.613 17.985 730 HE1 MET 112 HE1 MET 112 -14.928 13.363 19.522 731 HE2 MET 112 HE2 MET 112 -13.683 14.607 19.244 732 HE3 MET 112 HE3 MET 112 -14.055 14.072 20.897 733 H ALA 113 H ALA 113 -18.555 16.150 16.527 734 HA ALA 113 HA ALA 113 -19.340 19.010 16.258 735 HB1 ALA 113 HB1 ALA 113 -21.396 18.165 15.118 736 HB2 ALA 113 HB2 ALA 113 -19.926 17.867 14.179 737 HB3 ALA 113 HB3 ALA 113 -20.689 16.538 15.080 738 H SER 114 H SER 114 -21.422 19.489 17.436 739 HA SER 114 HA SER 114 -22.230 17.544 19.485 740 HB3 SER 114 HB3 SER 114 -21.455 20.362 20.319 741 HG SER 114 HG SER 114 -21.951 19.535 22.165 742 H ASN 115 H ASN 115 -24.205 18.463 20.695 743 HA ASN 115 HA ASN 115 -25.319 20.946 20.001 744 HB3 ASN 115 HB3 ASN 115 -26.975 18.600 19.001 745 HD21 ASN 115 HD22 ASN 115 -29.162 19.183 18.668 746 HD22 ASN 115 HD21 ASN 115 -29.756 20.775 19.005 747 H GLU 116 H GLU 116 -28.065 20.112 20.848 748 HA GLU 116 HA GLU 116 -27.915 20.322 23.604 749 HB3 GLU 116 HB3 GLU 116 -30.293 19.583 23.535 750 HG3 GLU 116 HG3 GLU 116 -29.489 21.480 21.323 751 H GLY 117 H GLY 117 -28.504 18.814 25.272 752 HA2 GLY 117 HA2 GLY 117 -27.789 15.974 24.828 753 HA3 GLY 117 HA3 GLY 117 -27.993 16.790 26.375 754 H SER 118 H SER 118 -30.672 17.779 24.583 755 HA SER 118 HA SER 118 -32.308 15.469 25.480 756 HB3 SER 118 HB3 SER 118 -33.098 18.393 25.785 757 HG SER 118 HG SER 118 -34.809 17.474 26.976 758 H ARG 119 H ARG 119 -34.559 15.882 24.534 759 HA ARG 119 HA ARG 119 -34.897 17.498 22.234 760 HB3 ARG 119 HB3 ARG 119 -33.825 15.556 21.169 761 HG3 ARG 119 HG3 ARG 119 -35.604 13.943 22.740 762 HD3 ARG 119 HD3 ARG 119 -36.750 14.213 20.160 763 HE ARG 119 HE ARG 119 -35.990 11.432 20.146 764 HH11 ARG 119 HH11 ARG 119 -35.029 14.584 18.886 765 HH12 ARG 119 HH12 ARG 119 -33.929 14.003 17.706 766 HH21 ARG 119 HH22 ARG 119 -34.533 10.524 18.454 767 HH22 ARG 119 HH21 ARG 119 -33.814 11.636 17.374 768 H ILE 120 H ILE 120 -36.004 16.874 25.067 769 HA ILE 120 HA ILE 120 -38.826 16.745 24.396 770 HB ILE 120 HB ILE 120 -39.245 15.085 26.212 771 HG13 ILE 120 HG13 ILE 120 -36.994 15.315 27.342 772 HG21 ILE 120 HG21 ILE 120 -39.293 14.500 23.795 773 HG22 ILE 120 HG22 ILE 120 -37.626 13.895 23.937 774 HG23 ILE 120 HG23 ILE 120 -38.946 13.132 24.851 775 HD11 ILE 120 HD11 ILE 120 -36.791 13.027 28.066 776 HD12 ILE 120 HD12 ILE 120 -38.512 13.435 27.911 777 HD13 ILE 120 HD13 ILE 120 -37.707 12.437 26.673 778 H SER 121 H SER 121 -40.092 17.219 26.363 779 HA SER 121 HA SER 121 -38.847 19.177 28.172 780 HB3 SER 121 HB3 SER 121 -41.757 18.345 27.926 781 HG SER 121 HG SER 121 -42.076 20.357 28.878 782 H ALA 122 H ALA 122 -40.298 18.792 30.421 783 HA ALA 122 HA ALA 122 -40.206 15.994 31.289 784 HB1 ALA 122 HB1 ALA 122 -37.979 16.918 31.935 785 HB2 ALA 122 HB2 ALA 122 -38.807 18.260 32.796 786 HB3 ALA 122 HB3 ALA 122 -38.981 16.588 33.360 787 H ALA 123 H ALA 123 -41.147 16.119 33.728 788 HA ALA 123 HA ALA 123 -43.008 18.335 34.131 789 HB1 ALA 123 HB1 ALA 123 -44.445 16.863 32.839 790 HB2 ALA 123 HB2 ALA 123 -44.034 15.461 33.856 791 HB3 ALA 123 HB3 ALA 123 -44.957 16.830 34.534 792 H SER 124 H SER 124 -43.110 15.059 35.676 793 HA SER 124 HA SER 124 -41.416 15.880 37.898 794 HB3 SER 124 HB3 SER 124 -43.401 17.048 38.561 795 HG SER 124 HG SER 124 -45.437 16.123 38.535 796 H VAL 125 H VAL 125 -41.639 13.991 39.644 797 HA VAL 125 HA VAL 125 -42.373 11.415 38.582 798 HB VAL 125 HB VAL 125 -39.560 12.169 39.515 799 HG11 VAL 125 HG21 VAL 125 -38.995 9.761 39.279 800 HG12 VAL 125 HG22 VAL 125 -40.118 10.043 40.574 801 HG13 VAL 125 HG23 VAL 125 -40.665 9.388 39.055 802 HG21 VAL 125 HG11 VAL 125 -39.858 12.552 37.110 803 HG22 VAL 125 HG12 VAL 125 -38.828 11.128 37.358 804 HG23 VAL 125 HG13 VAL 125 -40.549 10.914 36.906 805 H ALA 126 H ALA 126 -42.966 10.123 40.404 806 HA ALA 126 HA ALA 126 -42.503 11.055 43.126 807 HB1 ALA 126 HB1 ALA 126 -44.605 12.206 42.532 808 HB2 ALA 126 HB2 ALA 126 -45.296 10.692 42.016 809 HB3 ALA 126 HB3 ALA 126 -44.910 10.912 43.719 810 H SER 127 H SER 127 -41.073 9.113 42.604 811 HA SER 127 HA SER 127 -42.485 6.658 43.430 812 HB3 SER 127 HB3 SER 127 -42.536 6.546 41.024 813 HG SER 127 HG SER 127 -39.734 6.837 41.073 814 H THR 128 H THR 128 -41.264 7.850 45.344 815 HA THR 128 HA THR 128 -39.167 6.022 45.930 816 HB THR 128 HB THR 128 -37.853 7.843 44.816 817 HG1 THR 128 HG1 THR 128 -36.375 7.979 46.608 818 HG21 THR 128 HG21 THR 128 -37.469 9.968 45.931 819 HG22 THR 128 HG22 THR 128 -38.622 9.561 47.212 820 HG23 THR 128 HG23 THR 128 -39.189 9.819 45.549 821 H ALA 129 H ALA 129 -38.431 6.859 48.375 822 HA ALA 129 HA ALA 129 -40.660 7.925 49.892 823 HB1 ALA 129 HB1 ALA 129 -39.502 5.155 50.497 824 HB2 ALA 129 HB2 ALA 129 -40.687 6.026 51.485 825 HB3 ALA 129 HB3 ALA 129 -41.140 5.467 49.866 826 H ILE 130 H ILE 130 -39.660 7.627 52.365 827 HA ILE 130 HA ILE 130 -36.832 8.491 52.368 828 HB ILE 130 HB ILE 130 -38.799 8.424 54.707 829 HG13 ILE 130 HG13 ILE 130 -38.116 10.676 52.799 830 HG21 ILE 130 HG21 ILE 130 -36.007 9.620 54.435 831 HG22 ILE 130 HG22 ILE 130 -37.043 9.721 55.873 832 HG23 ILE 130 HG23 ILE 130 -36.428 8.164 55.344 833 HD11 ILE 130 HD11 ILE 130 -40.403 11.450 53.397 834 HD12 ILE 130 HD12 ILE 130 -40.461 9.798 52.765 835 HD13 ILE 130 HD13 ILE 130 -40.583 10.085 54.519 836 H ALA 131 H ALA 131 -35.366 6.951 53.312 837 HA ALA 131 HA ALA 131 -36.253 4.677 54.729 838 HB1 ALA 131 HB1 ALA 131 -34.703 4.350 52.111 839 HB2 ALA 131 HB2 ALA 131 -34.944 3.094 53.338 840 HB3 ALA 131 HB3 ALA 131 -36.341 3.717 52.431 Start of MODEL 7 1 H1 GLN 1 H1 GLN 1 5.006 -26.039 15.131 2 HA GLN 1 HA GLN 1 7.031 -24.798 15.749 3 HB3 GLN 1 HB3 GLN 1 7.373 -23.582 13.501 4 HG3 GLN 1 HG3 GLN 1 6.545 -26.494 13.632 5 HE21 GLN 1 HE22 GLN 1 8.575 -24.225 11.517 6 HE22 GLN 1 HE21 GLN 1 8.359 -25.291 10.135 7 H ALA 2 H ALA 2 7.888 -22.884 16.537 8 HA ALA 2 HA ALA 2 6.058 -20.905 17.473 9 HB1 ALA 2 HB1 ALA 2 8.083 -19.641 18.074 10 HB2 ALA 2 HB2 ALA 2 8.227 -21.338 18.548 11 HB3 ALA 2 HB3 ALA 2 9.084 -20.741 17.104 12 H GLN 3 H GLN 3 5.166 -19.170 16.453 13 HA GLN 3 HA GLN 3 6.883 -17.657 14.699 14 HB3 GLN 3 HB3 GLN 3 5.506 -18.706 13.006 15 HG3 GLN 3 HG3 GLN 3 3.069 -17.720 12.860 16 HE21 GLN 3 HE22 GLN 3 3.050 -19.721 11.603 17 HE22 GLN 3 HE21 GLN 3 2.568 -21.192 12.398 18 H GLY 4 H GLY 4 6.819 -15.514 15.330 19 HA2 GLY 4 HA2 GLY 4 5.061 -13.954 16.662 20 HA3 GLY 4 HA3 GLY 4 5.526 -15.111 17.923 21 H VAL 5 H VAL 5 7.376 -14.690 19.009 22 HA VAL 5 HA VAL 5 9.074 -12.550 18.713 23 HB VAL 5 HB VAL 5 9.915 -15.262 19.830 24 HG11 VAL 5 HG11 VAL 5 11.222 -13.898 21.409 25 HG12 VAL 5 HG12 VAL 5 11.668 -13.498 19.745 26 HG13 VAL 5 HG13 VAL 5 10.608 -12.409 20.662 27 HG21 VAL 5 HG21 VAL 5 8.973 -14.425 22.025 28 HG22 VAL 5 HG22 VAL 5 8.122 -13.174 21.101 29 HG23 VAL 5 HG23 VAL 5 7.762 -14.896 20.838 30 H LEU 6 H LEU 6 10.151 -12.050 16.914 31 HA LEU 6 HA LEU 6 11.999 -13.951 15.666 32 HB3 LEU 6 HB3 LEU 6 10.585 -12.435 13.572 33 HG LEU 6 HG LEU 6 10.257 -14.508 12.468 34 HD11 LEU 6 HD11 LEU 6 12.514 -15.512 12.382 35 HD12 LEU 6 HD12 LEU 6 12.989 -14.590 13.829 36 HD13 LEU 6 HD13 LEU 6 12.557 -13.752 12.323 37 HD21 LEU 6 HD21 LEU 6 9.433 -15.837 14.361 38 HD22 LEU 6 HD22 LEU 6 11.082 -15.951 15.007 39 HD23 LEU 6 HD23 LEU 6 10.699 -16.700 13.454 40 H ALA 7 H ALA 7 13.583 -12.702 16.677 41 HA ALA 7 HA ALA 7 13.746 -9.887 16.637 42 HB1 ALA 7 HB1 ALA 7 16.071 -10.248 17.302 43 HB2 ALA 7 HB2 ALA 7 15.044 -11.437 18.116 44 HB3 ALA 7 HB3 ALA 7 16.024 -11.924 16.706 45 H SER 8 H SER 8 15.167 -8.468 15.447 46 HA SER 8 HA SER 8 16.513 -9.317 13.092 47 HB3 SER 8 HB3 SER 8 14.280 -7.324 12.555 48 HG SER 8 HG SER 8 14.746 -7.922 10.435 49 H GLN 9 H GLN 9 17.369 -7.193 11.982 50 HA GLN 9 HA GLN 9 17.890 -5.042 13.955 51 HB3 GLN 9 HB3 GLN 9 20.224 -5.063 13.335 52 HG3 GLN 9 HG3 GLN 9 19.724 -8.007 13.866 53 HE21 GLN 9 HE22 GLN 9 22.120 -7.916 12.958 54 HE22 GLN 9 HE21 GLN 9 23.299 -7.488 14.173 55 H ALA 10 H ALA 10 18.840 -3.107 12.792 56 HA ALA 10 HA ALA 10 17.979 -2.891 9.954 57 HB1 ALA 10 HB1 ALA 10 17.191 -0.586 10.520 58 HB2 ALA 10 HB2 ALA 10 16.238 -1.849 11.324 59 HB3 ALA 10 HB3 ALA 10 17.451 -0.934 12.233 60 H LEU 11 H LEU 11 19.129 -1.209 8.821 61 HA LEU 11 HA LEU 11 21.797 -0.495 9.978 62 HB3 LEU 11 HB3 LEU 11 22.128 -0.148 7.312 63 HG LEU 11 HG LEU 11 23.017 -2.489 7.110 64 HD11 LEU 11 HD11 LEU 11 24.409 -0.587 7.817 65 HD12 LEU 11 HD12 LEU 11 24.913 -2.081 8.607 66 HD13 LEU 11 HD13 LEU 11 23.963 -0.892 9.517 67 HD21 LEU 11 HD21 LEU 11 23.197 -3.935 9.030 68 HD22 LEU 11 HD22 LEU 11 21.480 -3.554 8.814 69 HD23 LEU 11 HD23 LEU 11 22.421 -2.756 10.086 70 H SER 12 H SER 12 22.026 1.612 10.372 71 HA SER 12 HA SER 12 20.138 3.586 9.653 72 HB3 SER 12 HB3 SER 12 23.100 3.961 10.257 73 HG SER 12 HG SER 12 21.618 5.840 11.288 74 H GLN 13 H GLN 13 20.504 5.399 8.304 75 HA GLN 13 HA GLN 13 22.361 5.464 6.130 76 HB3 GLN 13 HB3 GLN 13 19.891 6.247 4.903 77 HG3 GLN 13 HG3 GLN 13 20.817 3.567 4.086 78 HE21 GLN 13 HE22 GLN 13 21.997 6.546 2.656 79 HE22 GLN 13 HE21 GLN 13 20.887 6.535 1.272 80 H GLY 14 H GLY 14 22.225 7.740 5.211 81 HA2 GLY 14 HA2 GLY 14 22.104 9.698 7.228 82 HA3 GLY 14 HA3 GLY 14 22.139 10.005 5.476 83 H SER 15 H SER 15 19.997 9.763 4.281 84 HA SER 15 HA SER 15 17.585 10.330 5.664 85 HB3 SER 15 HB3 SER 15 18.746 12.570 4.049 86 HG SER 15 HG SER 15 17.416 13.803 5.246 87 H GLU 16 H GLU 16 16.024 10.886 4.093 88 HA GLU 16 HA GLU 16 16.506 10.573 1.253 89 HB3 GLU 16 HB3 GLU 16 14.414 9.081 1.059 90 HG3 GLU 16 HG3 GLU 16 16.841 7.791 2.376 91 HA PRO 17 HA PRO 17 13.748 13.965 1.505 92 HB3 PRO 17 HB3 PRO 17 13.881 14.284 -0.808 93 HG3 PRO 17 HG3 PRO 17 13.874 12.410 -2.295 94 HD3 PRO 17 HD3 PRO 17 15.578 12.012 -0.682 95 H SER 18 H SER 18 11.974 14.278 2.837 96 HA SER 18 HA SER 18 9.868 12.297 3.073 97 HB3 SER 18 HB3 SER 18 8.760 13.935 4.466 98 HG SER 18 HG SER 18 10.173 13.709 5.980 99 H SER 19 H SER 19 9.924 15.600 1.741 100 HA SER 19 HA SER 19 8.563 16.830 0.498 101 HB3 SER 19 HB3 SER 19 6.606 15.996 -0.723 102 HG SER 19 HG SER 19 7.754 15.177 -2.377 103 H GLU 20 H GLU 20 7.456 18.118 1.827 104 HA GLU 20 HA GLU 20 6.076 17.152 4.155 105 HB3 GLU 20 HB3 GLU 20 5.806 19.797 2.699 106 HG3 GLU 20 HG3 GLU 20 5.419 19.393 5.679 107 H ASN 21 H ASN 21 4.262 15.953 3.950 108 HA ASN 21 HA ASN 21 2.133 16.817 2.052 109 HB3 ASN 21 HB3 ASN 21 1.416 14.359 2.068 110 HD21 ASN 21 HD22 ASN 21 3.654 16.528 0.607 111 HD22 ASN 21 HD21 ASN 21 3.888 15.632 -0.873 112 H ALA 22 H ALA 22 -0.062 15.936 2.995 113 HA ALA 22 HA ALA 22 -0.125 15.861 5.901 114 HB1 ALA 22 HB1 ALA 22 -0.062 18.339 5.412 115 HB2 ALA 22 HB2 ALA 22 -1.515 18.140 4.419 116 HB3 ALA 22 HB3 ALA 22 -1.590 17.815 6.153 117 H ASN 23 H ASN 23 -0.724 13.723 5.177 118 HA ASN 23 HA ASN 23 -3.565 13.666 5.363 119 HB3 ASN 23 HB3 ASN 23 -2.435 12.228 2.961 120 HD21 ASN 23 HD22 ASN 23 -5.288 13.023 5.035 121 HD22 ASN 23 HD21 ASN 23 -6.405 12.127 4.082 122 H ASP 24 H ASP 24 -3.692 10.740 4.570 123 HA ASP 24 HA ASP 24 -2.017 9.549 6.710 124 HB3 ASP 24 HB3 ASP 24 -3.836 8.814 7.668 125 H THR 25 H THR 25 -0.331 8.663 5.488 126 HA THR 25 HA THR 25 -1.204 6.502 3.718 127 HB THR 25 HB THR 25 1.255 8.061 2.893 128 HG1 THR 25 HG1 THR 25 0.172 9.349 1.614 129 HG21 THR 25 HG21 THR 25 -0.810 6.373 1.399 130 HG22 THR 25 HG22 THR 25 0.743 5.785 2.001 131 HG23 THR 25 HG23 THR 25 0.703 7.022 0.717 132 H ILE 26 H ILE 26 0.021 4.655 4.009 133 HA ILE 26 HA ILE 26 2.101 4.766 6.148 134 HB ILE 26 HB ILE 26 0.498 2.479 4.958 135 HG13 ILE 26 HG13 ILE 26 -0.538 4.121 6.630 136 HG21 ILE 26 HG21 ILE 26 2.706 2.343 7.069 137 HG22 ILE 26 HG22 ILE 26 1.591 1.022 6.697 138 HG23 ILE 26 HG23 ILE 26 2.718 1.560 5.469 139 HD11 ILE 26 HD11 ILE 26 -0.442 1.289 7.637 140 HD12 ILE 26 HD12 ILE 26 -1.702 2.517 7.895 141 HD13 ILE 26 HD13 ILE 26 -1.408 1.900 6.258 142 H ILE 27 H ILE 27 4.109 3.581 5.710 143 HA ILE 27 HA ILE 27 4.902 3.533 2.879 144 HB ILE 27 HB ILE 27 5.327 5.767 3.952 145 HG13 ILE 27 HG13 ILE 27 7.473 4.163 2.608 146 HG21 ILE 27 HG21 ILE 27 7.463 4.372 5.567 147 HG22 ILE 27 HG22 ILE 27 7.110 6.111 5.498 148 HG23 ILE 27 HG23 ILE 27 5.931 5.005 6.217 149 HD11 ILE 27 HD11 ILE 27 5.810 5.381 1.251 150 HD12 ILE 27 HD12 ILE 27 6.143 6.882 2.150 151 HD13 ILE 27 HD13 ILE 27 7.383 6.206 1.114 152 H LEU 28 H LEU 28 6.253 1.847 2.485 153 HA LEU 28 HA LEU 28 6.845 -0.075 4.705 154 HB3 LEU 28 HB3 LEU 28 7.644 -1.551 2.919 155 HG LEU 28 HG LEU 28 5.731 -2.209 1.748 156 HD11 LEU 28 HD11 LEU 28 4.671 -1.111 4.392 157 HD12 LEU 28 HD12 LEU 28 5.667 -2.566 4.237 158 HD13 LEU 28 HD13 LEU 28 4.080 -2.523 3.487 159 HD21 LEU 28 HD21 LEU 28 5.138 0.204 1.019 160 HD22 LEU 28 HD22 LEU 28 4.181 0.273 2.498 161 HD23 LEU 28 HD23 LEU 28 3.833 -0.938 1.243 162 H ARG 29 H ARG 29 9.004 -0.257 5.398 163 HA ARG 29 HA ARG 29 11.005 1.396 3.905 164 HB3 ARG 29 HB3 ARG 29 12.111 1.673 6.139 165 HG3 ARG 29 HG3 ARG 29 9.292 2.743 6.360 166 HD3 ARG 29 HD3 ARG 29 11.034 3.572 7.936 167 HE ARG 29 HE ARG 29 12.725 3.615 5.733 168 HH11 ARG 29 HH11 ARG 29 11.683 6.179 7.976 169 HH12 ARG 29 HH12 ARG 29 13.238 6.890 8.107 170 HH21 ARG 29 HH22 ARG 29 14.858 4.491 6.009 171 HH22 ARG 29 HH21 ARG 29 15.069 5.907 6.987 172 H ASN 30 H ASN 30 13.135 0.711 4.012 173 HA ASN 30 HA ASN 30 14.887 -0.695 3.918 174 HB3 ASN 30 HB3 ASN 30 13.434 -2.547 5.790 175 HD21 ASN 30 HD22 ASN 30 14.741 -4.328 5.700 176 HD22 ASN 30 HD21 ASN 30 16.521 -4.260 5.463 177 H LEU 31 H LEU 31 13.459 -0.895 1.746 178 HA LEU 31 HA LEU 31 12.727 -3.741 1.319 179 HB3 LEU 31 HB3 LEU 31 11.790 -2.943 -0.874 180 HG LEU 31 HG LEU 31 10.602 -3.326 1.335 181 HD11 LEU 31 HD11 LEU 31 11.293 -0.739 1.918 182 HD12 LEU 31 HD12 LEU 31 10.127 -1.792 2.753 183 HD13 LEU 31 HD13 LEU 31 9.595 -0.610 1.529 184 HD21 LEU 31 HD21 LEU 31 9.223 -1.370 -0.552 185 HD22 LEU 31 HD22 LEU 31 8.472 -2.597 0.512 186 HD23 LEU 31 HD23 LEU 31 9.451 -3.101 -0.892 187 H ASN 32 H ASN 32 13.175 -4.566 -0.691 188 HA ASN 32 HA ASN 32 16.014 -4.008 -1.509 189 HB3 ASN 32 HB3 ASN 32 15.693 -6.626 -2.275 190 HD21 ASN 32 HD22 ASN 32 17.189 -8.167 -0.962 191 HD22 ASN 32 HD21 ASN 32 18.334 -7.315 0.048 192 HA PRO 33 HA PRO 33 14.639 -3.329 -5.539 193 HB3 PRO 33 HB3 PRO 33 16.748 -2.930 -6.291 194 HG3 PRO 33 HG3 PRO 33 18.574 -3.972 -5.281 195 HD3 PRO 33 HD3 PRO 33 17.361 -3.541 -3.304 196 H HIS 34 H HIS 34 15.316 -6.580 -4.558 197 HA HIS 34 HA HIS 34 13.566 -7.836 -6.569 198 HB3 HIS 34 HB3 HIS 34 14.490 -9.905 -5.250 199 HD1 HIS 34 HD1 HIS 34 14.332 -9.996 -8.058 200 HD2 HIS 34 HD2 HIS 34 17.662 -8.106 -6.276 201 HE1 HIS 34 HE1 HIS 34 16.069 -9.699 -9.894 202 H SER 35 H SER 35 12.710 -6.181 -3.856 203 HA SER 35 HA SER 35 11.100 -8.163 -2.565 204 HB3 SER 35 HB3 SER 35 9.964 -6.040 -1.718 205 HG SER 35 HG SER 35 11.461 -7.031 -0.523 206 H THR 36 H THR 36 8.771 -8.082 -2.694 207 HA THR 36 HA THR 36 7.684 -7.571 -5.422 208 HB THR 36 HB THR 36 6.167 -9.519 -4.686 209 HG1 THR 36 HG1 THR 36 7.180 -10.857 -3.109 210 HG21 THR 36 HG21 THR 36 9.156 -10.050 -5.011 211 HG22 THR 36 HG22 THR 36 7.998 -9.713 -6.323 212 HG23 THR 36 HG23 THR 36 7.818 -11.185 -5.367 213 H MET 37 H MET 37 5.411 -6.913 -5.609 214 HA MET 37 HA MET 37 4.200 -5.291 -3.664 215 HB3 MET 37 HB3 MET 37 3.268 -7.013 -5.968 216 HG3 MET 37 HG3 MET 37 1.603 -5.173 -4.206 217 HE1 MET 37 HE1 MET 37 0.922 -3.176 -5.474 218 HE2 MET 37 HE2 MET 37 2.307 -3.559 -6.520 219 HE3 MET 37 HE3 MET 37 0.729 -3.092 -7.236 220 H ASP 38 H ASP 38 3.788 -8.835 -4.282 221 HA ASP 38 HA ASP 38 1.838 -9.240 -2.377 222 HB3 ASP 38 HB3 ASP 38 2.973 -11.687 -2.366 223 H SER 39 H SER 39 5.195 -8.635 -1.688 224 HA SER 39 HA SER 39 5.316 -9.935 0.840 225 HB3 SER 39 HB3 SER 39 7.282 -8.987 -0.249 226 HG SER 39 HG SER 39 6.478 -7.026 -0.986 227 H ILE 40 H ILE 40 3.695 -6.939 -0.160 228 HA ILE 40 HA ILE 40 3.054 -6.153 2.591 229 HB ILE 40 HB ILE 40 2.059 -5.145 -0.112 230 HG13 ILE 40 HG13 ILE 40 4.350 -4.331 1.681 231 HG21 ILE 40 HG21 ILE 40 0.413 -4.705 1.661 232 HG22 ILE 40 HG22 ILE 40 1.689 -3.993 2.679 233 HG23 ILE 40 HG23 ILE 40 1.194 -3.209 1.165 234 HD11 ILE 40 HD11 ILE 40 3.946 -4.014 -1.334 235 HD12 ILE 40 HD12 ILE 40 5.420 -3.638 -0.415 236 HD13 ILE 40 HD13 ILE 40 4.881 -5.315 -0.577 237 H LEU 41 H LEU 41 1.204 -7.299 -0.280 238 HA LEU 41 HA LEU 41 -1.258 -7.442 1.061 239 HB3 LEU 41 HB3 LEU 41 -1.919 -9.070 -0.701 240 HG LEU 41 HG LEU 41 -2.056 -6.543 -1.088 241 HD11 LEU 41 HD11 LEU 41 0.379 -7.127 -2.756 242 HD12 LEU 41 HD12 LEU 41 0.249 -5.948 -1.447 243 HD13 LEU 41 HD13 LEU 41 -0.649 -5.675 -2.943 244 HD21 LEU 41 HD21 LEU 41 -2.627 -6.799 -3.473 245 HD22 LEU 41 HD22 LEU 41 -3.230 -8.157 -2.533 246 HD23 LEU 41 HD23 LEU 41 -1.769 -8.353 -3.519 247 H GLY 42 H GLY 42 1.140 -10.082 0.570 248 HA2 GLY 42 HA2 GLY 42 -0.418 -12.091 1.827 249 HA3 GLY 42 HA3 GLY 42 1.281 -12.181 1.375 250 H ALA 43 H ALA 43 0.651 -9.608 3.607 251 HA ALA 43 HA ALA 43 0.764 -11.459 5.947 252 HB1 ALA 43 HB1 ALA 43 2.313 -8.845 5.737 253 HB2 ALA 43 HB2 ALA 43 1.934 -9.637 7.275 254 HB3 ALA 43 HB3 ALA 43 2.918 -10.481 6.062 255 H LEU 44 H LEU 44 -0.319 -8.323 4.569 256 HA LEU 44 HA LEU 44 -1.896 -7.919 7.029 257 HB3 LEU 44 HB3 LEU 44 -2.244 -5.670 6.173 258 HG LEU 44 HG LEU 44 -0.237 -4.732 6.590 259 HD11 LEU 44 HD11 LEU 44 0.418 -7.547 7.568 260 HD12 LEU 44 HD12 LEU 44 -0.622 -6.379 8.387 261 HD13 LEU 44 HD13 LEU 44 1.096 -6.031 8.159 262 HD21 LEU 44 HD21 LEU 44 1.958 -5.439 5.925 263 HD22 LEU 44 HD22 LEU 44 0.901 -5.444 4.513 264 HD23 LEU 44 HD23 LEU 44 1.330 -6.972 5.296 265 H ALA 45 H ALA 45 -2.531 -9.214 3.926 266 HA ALA 45 HA ALA 45 -4.912 -8.197 3.137 267 HB1 ALA 45 HB1 ALA 45 -3.808 -9.839 1.803 268 HB2 ALA 45 HB2 ALA 45 -4.000 -11.088 3.031 269 HB3 ALA 45 HB3 ALA 45 -5.416 -10.464 2.171 270 HA PRO 46 HA PRO 46 -7.655 -10.816 5.826 271 HB3 PRO 46 HB3 PRO 46 -6.799 -12.888 6.492 272 HG3 PRO 46 HG3 PRO 46 -4.477 -13.086 7.050 273 HD3 PRO 46 HD3 PRO 46 -4.546 -12.046 4.937 274 H TYR 47 H TYR 47 -5.547 -8.512 6.979 275 HA TYR 47 HA TYR 47 -7.423 -7.711 9.139 276 HB3 TYR 47 HB3 TYR 47 -5.524 -6.863 10.340 277 HD1 TYR 47 HD1 TYR 47 -6.933 -9.328 10.743 278 HD2 TYR 47 HD2 TYR 47 -2.899 -8.819 9.325 279 HE1 TYR 47 HE1 TYR 47 -6.427 -11.638 11.433 280 HE2 TYR 47 HE2 TYR 47 -2.349 -11.104 10.043 281 HH TYR 47 HH TYR 47 -4.628 -13.186 11.817 282 H ALA 48 H ALA 48 -6.744 -7.103 6.026 283 HA ALA 48 HA ALA 48 -7.263 -4.188 6.245 284 HB1 ALA 48 HB1 ALA 48 -4.782 -4.380 6.278 285 HB2 ALA 48 HB2 ALA 48 -4.839 -5.264 4.735 286 HB3 ALA 48 HB3 ALA 48 -5.379 -3.577 4.818 287 H VAL 49 H VAL 49 -9.008 -3.950 5.076 288 HA VAL 49 HA VAL 49 -9.654 -5.725 2.892 289 HB VAL 49 HB VAL 49 -11.264 -5.176 4.511 290 HG11 VAL 49 HG11 VAL 49 -11.365 -2.317 3.551 291 HG12 VAL 49 HG12 VAL 49 -12.304 -3.072 4.853 292 HG13 VAL 49 HG13 VAL 49 -10.563 -2.825 5.047 293 HG21 VAL 49 HG21 VAL 49 -13.119 -4.713 3.047 294 HG22 VAL 49 HG22 VAL 49 -12.049 -3.970 1.831 295 HG23 VAL 49 HG23 VAL 49 -11.930 -5.707 2.192 296 H LEU 50 H LEU 50 -7.886 -5.314 1.509 297 HA LEU 50 HA LEU 50 -8.215 -2.960 -0.237 298 HB3 LEU 50 HB3 LEU 50 -6.650 -2.131 1.303 299 HG LEU 50 HG LEU 50 -5.653 -4.171 2.334 300 HD11 LEU 50 HD11 LEU 50 -4.052 -4.347 -0.263 301 HD12 LEU 50 HD12 LEU 50 -5.144 -5.590 0.402 302 HD13 LEU 50 HD13 LEU 50 -3.655 -5.196 1.246 303 HD21 LEU 50 HD21 LEU 50 -3.413 -3.186 2.565 304 HD22 LEU 50 HD22 LEU 50 -4.652 -1.931 2.589 305 HD23 LEU 50 HD23 LEU 50 -3.681 -2.186 1.122 306 H SER 51 H SER 51 -6.186 -3.261 -1.964 307 HA SER 51 HA SER 51 -5.622 -5.948 -2.742 308 HB3 SER 51 HB3 SER 51 -6.644 -5.508 -5.087 309 HG SER 51 HG SER 51 -7.953 -6.158 -2.710 310 H SER 52 H SER 52 -4.678 -5.439 -5.323 311 HA SER 52 HA SER 52 -2.194 -4.355 -4.652 312 HB3 SER 52 HB3 SER 52 -1.978 -5.999 -6.163 313 HG SER 52 HG SER 52 -3.461 -6.266 -7.964 314 H SER 53 H SER 53 -4.968 -2.617 -5.732 315 HA SER 53 HA SER 53 -3.581 -0.470 -7.122 316 HB3 SER 53 HB3 SER 53 -5.633 0.760 -6.820 317 HG SER 53 HG SER 53 -7.140 -0.960 -7.632 318 H ASN 54 H ASN 54 -4.746 -1.049 -3.876 319 HA ASN 54 HA ASN 54 -4.111 1.453 -2.678 320 HB3 ASN 54 HB3 ASN 54 -3.866 0.156 -0.490 321 HD21 ASN 54 HD22 ASN 54 -5.606 1.335 0.221 322 HD22 ASN 54 HD21 ASN 54 -7.276 0.992 -0.262 323 H VAL 55 H VAL 55 -2.104 -1.388 -3.127 324 HA VAL 55 HA VAL 55 0.113 -0.390 -1.523 325 HB VAL 55 HB VAL 55 -0.278 -2.943 -3.145 326 HG11 VAL 55 HG11 VAL 55 1.823 -2.310 -1.021 327 HG12 VAL 55 HG12 VAL 55 1.581 -3.858 -1.873 328 HG13 VAL 55 HG13 VAL 55 2.139 -2.452 -2.760 329 HG21 VAL 55 HG21 VAL 55 -0.638 -2.272 -0.188 330 HG22 VAL 55 HG22 VAL 55 -1.894 -2.807 -1.319 331 HG23 VAL 55 HG23 VAL 55 -0.629 -3.923 -0.831 332 H ARG 56 H ARG 56 0.869 1.425 -2.543 333 HA ARG 56 HA ARG 56 1.454 1.260 -5.422 334 HB3 ARG 56 HB3 ARG 56 2.030 3.746 -3.811 335 HG3 ARG 56 HG3 ARG 56 2.476 3.441 -6.322 336 HD3 ARG 56 HD3 ARG 56 -0.587 3.683 -6.374 337 HE ARG 56 HE ARG 56 1.146 4.448 -8.345 338 HH11 ARG 56 HH11 ARG 56 -1.160 1.646 -8.272 339 HH12 ARG 56 HH12 ARG 56 -1.642 1.981 -9.905 340 HH21 ARG 56 HH22 ARG 56 0.427 4.674 -10.539 341 HH22 ARG 56 HH21 ARG 56 -0.775 3.548 -11.138 342 H VAL 57 H VAL 57 3.053 -0.158 -5.567 343 HA VAL 57 HA VAL 57 5.563 0.179 -4.156 344 HB VAL 57 HB VAL 57 4.927 -1.538 -6.576 345 HG11 VAL 57 HG11 VAL 57 7.359 -1.161 -6.254 346 HG12 VAL 57 HG12 VAL 57 7.214 -1.586 -4.529 347 HG13 VAL 57 HG13 VAL 57 6.923 -2.797 -5.789 348 HG21 VAL 57 HG21 VAL 57 4.852 -2.177 -3.584 349 HG22 VAL 57 HG22 VAL 57 3.484 -2.212 -4.719 350 HG23 VAL 57 HG23 VAL 57 4.788 -3.384 -4.886 351 H ILE 58 H ILE 58 6.569 2.062 -4.510 352 HA ILE 58 HA ILE 58 6.999 3.223 -7.130 353 HB ILE 58 HB ILE 58 8.488 3.710 -4.503 354 HG13 ILE 58 HG13 ILE 58 7.008 5.701 -4.221 355 HG21 ILE 58 HG21 ILE 58 8.998 5.934 -5.503 356 HG22 ILE 58 HG22 ILE 58 9.709 4.602 -6.409 357 HG23 ILE 58 HG23 ILE 58 8.259 5.416 -7.028 358 HD11 ILE 58 HD11 ILE 58 6.011 5.829 -6.529 359 HD12 ILE 58 HD12 ILE 58 5.118 4.328 -6.185 360 HD13 ILE 58 HD13 ILE 58 4.807 5.783 -5.231 361 H LYS 59 H LYS 59 8.156 2.352 -8.609 362 HA LYS 59 HA LYS 59 10.508 0.688 -8.051 363 HB3 LYS 59 HB3 LYS 59 10.507 0.197 -10.393 364 HG3 LYS 59 HG3 LYS 59 7.544 0.503 -9.687 365 HD3 LYS 59 HD3 LYS 59 8.173 0.176 -12.127 366 HE3 LYS 59 HE3 LYS 59 10.012 -1.448 -11.380 367 HZ1 LYS 59 HZ1 LYS 59 9.252 -3.810 -11.562 368 HZ2 LYS 59 HZ2 LYS 59 7.703 -3.285 -11.375 369 HZ3 LYS 59 HZ3 LYS 59 8.826 -3.077 -10.182 370 H ASP 60 H ASP 60 12.502 1.402 -9.321 371 HA ASP 60 HA ASP 60 12.868 4.324 -9.377 372 HB3 ASP 60 HB3 ASP 60 14.799 2.405 -10.661 373 H LYS 61 H LYS 61 13.947 5.102 -11.512 374 HA LYS 61 HA LYS 61 12.274 4.415 -13.875 375 HB3 LYS 61 HB3 LYS 61 13.791 6.858 -12.972 376 HG3 LYS 61 HG3 LYS 61 12.063 6.554 -15.446 377 HD3 LYS 61 HD3 LYS 61 13.527 9.008 -14.419 378 HE3 LYS 61 HE3 LYS 61 11.099 8.745 -16.244 379 HZ1 LYS 61 HZ1 LYS 61 11.476 10.821 -14.971 380 HZ2 LYS 61 HZ2 LYS 61 11.399 11.012 -16.594 381 HZ3 LYS 61 HZ3 LYS 61 12.884 11.049 -15.835 382 H GLN 62 H GLN 62 15.567 4.590 -12.498 383 HA GLN 62 HA GLN 62 16.920 4.450 -15.051 384 HB3 GLN 62 HB3 GLN 62 18.924 3.997 -13.842 385 HG3 GLN 62 HG3 GLN 62 17.516 5.812 -11.899 386 HE21 GLN 62 HE22 GLN 62 19.173 6.558 -10.548 387 HE22 GLN 62 HE21 GLN 62 20.761 6.949 -11.157 388 H THR 63 H THR 63 16.162 2.186 -12.444 389 HA THR 63 HA THR 63 16.653 -0.175 -14.184 390 HB THR 63 HB THR 63 16.888 -1.370 -12.084 391 HG1 THR 63 HG1 THR 63 16.907 0.536 -10.247 392 HG21 THR 63 HG21 THR 63 18.484 1.237 -11.865 393 HG22 THR 63 HG22 THR 63 18.893 -0.119 -12.922 394 HG23 THR 63 HG23 THR 63 18.895 -0.333 -11.166 395 H GLN 64 H GLN 64 14.950 -1.969 -13.047 396 HA GLN 64 HA GLN 64 12.268 -0.678 -12.958 397 HB3 GLN 64 HB3 GLN 64 11.415 -2.658 -14.199 398 HG3 GLN 64 HG3 GLN 64 12.414 -2.170 -16.443 399 HE21 GLN 64 HE22 GLN 64 13.029 1.036 -15.260 400 HE22 GLN 64 HE21 GLN 64 11.455 1.661 -15.677 401 H LEU 65 H LEU 65 13.679 -0.893 -10.760 402 HA LEU 65 HA LEU 65 12.902 -3.368 -9.299 403 HB3 LEU 65 HB3 LEU 65 14.986 -3.050 -8.037 404 HG LEU 65 HG LEU 65 15.494 -3.038 -11.026 405 HD11 LEU 65 HD11 LEU 65 17.431 -2.143 -9.844 406 HD12 LEU 65 HD12 LEU 65 17.759 -3.727 -10.568 407 HD13 LEU 65 HD13 LEU 65 17.488 -3.573 -8.824 408 HD21 LEU 65 HD21 LEU 65 14.286 -5.038 -10.258 409 HD22 LEU 65 HD22 LEU 65 15.515 -5.322 -9.001 410 HD23 LEU 65 HD23 LEU 65 15.951 -5.453 -10.701 411 H ASN 66 H ASN 66 12.967 -2.815 -6.867 412 HA ASN 66 HA ASN 66 11.156 -0.526 -6.500 413 HB3 ASN 66 HB3 ASN 66 10.926 -1.238 -4.205 414 HD21 ASN 66 HD22 ASN 66 12.156 -4.311 -4.593 415 HD22 ASN 66 HD21 ASN 66 10.823 -5.108 -5.412 416 H ARG 67 H ARG 67 11.547 1.348 -5.189 417 HA ARG 67 HA ARG 67 14.358 2.201 -5.228 418 HB3 ARG 67 HB3 ARG 67 13.147 4.381 -4.251 419 HG3 ARG 67 HG3 ARG 67 12.628 3.460 -7.067 420 HD3 ARG 67 HD3 ARG 67 12.749 6.097 -5.665 421 HE ARG 67 HE ARG 67 14.741 5.608 -7.576 422 HH11 ARG 67 HH11 ARG 67 12.054 7.847 -7.552 423 HH12 ARG 67 HH12 ARG 67 13.012 9.273 -7.773 424 HH21 ARG 67 HH22 ARG 67 16.074 7.427 -7.942 425 HH22 ARG 67 HH21 ARG 67 15.398 9.007 -8.082 426 H GLY 68 H GLY 68 13.409 0.155 -3.084 427 HA2 GLY 68 HA2 GLY 68 14.333 -0.253 -1.005 428 HA3 GLY 68 HA3 GLY 68 14.902 1.410 -0.901 429 H PHE 69 H PHE 69 11.716 1.791 -1.744 430 HA PHE 69 HA PHE 69 10.507 1.252 0.855 431 HB3 PHE 69 HB3 PHE 69 11.480 3.566 0.909 432 HD1 PHE 69 HD2 PHE 69 12.267 4.404 -1.399 433 HD2 PHE 69 HD1 PHE 69 8.169 4.578 -0.128 434 HE1 PHE 69 HE2 PHE 69 11.770 6.076 -3.200 435 HE2 PHE 69 HE1 PHE 69 7.688 6.294 -1.829 436 HZ PHE 69 HZ PHE 69 9.492 7.039 -3.390 437 H ALA 70 H ALA 70 8.068 2.055 0.559 438 HA ALA 70 HA ALA 70 7.015 2.289 -2.070 439 HB1 ALA 70 HB1 ALA 70 5.415 0.285 -1.871 440 HB2 ALA 70 HB2 ALA 70 7.105 -0.105 -2.256 441 HB3 ALA 70 HB3 ALA 70 6.499 -0.345 -0.620 442 H PHE 71 H PHE 71 4.458 2.401 -1.838 443 HA PHE 71 HA PHE 71 3.782 3.914 0.663 444 HB3 PHE 71 HB3 PHE 71 2.060 4.791 -1.273 445 HD1 PHE 71 HD1 PHE 71 2.955 5.997 1.114 446 HD2 PHE 71 HD2 PHE 71 4.610 6.339 -2.863 447 HE1 PHE 71 HE1 PHE 71 3.768 8.236 1.648 448 HE2 PHE 71 HE2 PHE 71 5.430 8.602 -2.318 449 HZ PHE 71 HZ PHE 71 4.991 9.579 -0.079 450 H ILE 72 H ILE 72 1.485 3.723 1.343 451 HA ILE 72 HA ILE 72 -0.204 1.822 -0.145 452 HB ILE 72 HB ILE 72 0.158 1.618 2.869 453 HG13 ILE 72 HG13 ILE 72 2.156 0.755 1.672 454 HG21 ILE 72 HG21 ILE 72 -2.118 1.011 1.811 455 HG22 ILE 72 HG22 ILE 72 -1.295 -0.219 0.865 456 HG23 ILE 72 HG23 ILE 72 -1.364 -0.328 2.638 457 HD11 ILE 72 HD11 ILE 72 2.203 -1.483 2.641 458 HD12 ILE 72 HD12 ILE 72 1.565 -0.274 3.761 459 HD13 ILE 72 HD13 ILE 72 0.477 -1.421 2.924 460 H GLN 73 H GLN 73 -2.028 2.935 -0.604 461 HA GLN 73 HA GLN 73 -3.107 5.148 1.026 462 HB3 GLN 73 HB3 GLN 73 -5.172 4.622 -0.453 463 HG3 GLN 73 HG3 GLN 73 -2.667 5.458 -1.930 464 HE21 GLN 73 HE22 GLN 73 -5.773 7.207 -1.883 465 HE22 GLN 73 HE21 GLN 73 -6.352 6.604 -3.406 466 H LEU 74 H LEU 74 -4.825 4.949 2.439 467 HA LEU 74 HA LEU 74 -5.751 2.233 3.205 468 HB3 LEU 74 HB3 LEU 74 -5.595 3.745 5.577 469 HG LEU 74 HG LEU 74 -3.613 2.455 6.163 470 HD11 LEU 74 HD11 LEU 74 -5.678 1.465 6.640 471 HD12 LEU 74 HD12 LEU 74 -4.671 0.185 5.949 472 HD13 LEU 74 HD13 LEU 74 -5.944 0.908 4.962 473 HD21 LEU 74 HD21 LEU 74 -3.801 1.114 3.445 474 HD22 LEU 74 HD22 LEU 74 -2.657 0.782 4.726 475 HD23 LEU 74 HD23 LEU 74 -2.568 2.338 3.875 476 H SER 75 H SER 75 -7.489 2.946 5.228 477 HA SER 75 HA SER 75 -9.246 5.039 4.123 478 HB3 SER 75 HB3 SER 75 -10.288 2.747 5.781 479 HG SER 75 HG SER 75 -12.173 3.487 5.115 480 H THR 76 H THR 76 -10.342 6.222 5.932 481 HA THR 76 HA THR 76 -8.273 7.353 7.246 482 HB THR 76 HB THR 76 -10.711 8.281 8.465 483 HG1 THR 76 HG1 THR 76 -12.025 8.525 6.660 484 HG21 THR 76 HG21 THR 76 -10.270 10.229 6.997 485 HG22 THR 76 HG22 THR 76 -9.125 9.263 6.045 486 HG23 THR 76 HG23 THR 76 -8.775 9.630 7.745 487 H ILE 77 H ILE 77 -10.688 5.188 8.858 488 HA ILE 77 HA ILE 77 -9.613 5.702 11.530 489 HB ILE 77 HB ILE 77 -11.365 3.494 10.369 490 HG13 ILE 77 HG13 ILE 77 -12.384 5.780 10.501 491 HG21 ILE 77 HG21 ILE 77 -10.604 3.897 13.272 492 HG22 ILE 77 HG22 ILE 77 -11.811 2.743 12.653 493 HG23 ILE 77 HG23 ILE 77 -10.141 2.533 12.223 494 HD11 ILE 77 HD11 ILE 77 -13.645 3.986 12.596 495 HD12 ILE 77 HD12 ILE 77 -14.431 5.141 11.524 496 HD13 ILE 77 HD13 ILE 77 -13.745 3.656 10.851 497 H GLU 78 H GLU 78 -9.218 3.343 8.950 498 HA GLU 78 HA GLU 78 -7.697 1.428 10.344 499 HB3 GLU 78 HB3 GLU 78 -7.137 0.601 8.099 500 HG3 GLU 78 HG3 GLU 78 -10.013 1.589 8.143 501 H ALA 79 H ALA 79 -6.810 4.489 9.081 502 HA ALA 79 HA ALA 79 -3.995 3.965 8.650 503 HB1 ALA 79 HB1 ALA 79 -5.812 6.440 8.311 504 HB2 ALA 79 HB2 ALA 79 -4.104 6.400 7.880 505 HB3 ALA 79 HB3 ALA 79 -5.255 5.383 7.002 506 H ALA 80 H ALA 80 -4.928 3.519 11.182 507 HA ALA 80 HA ALA 80 -3.080 5.224 12.505 508 HB1 ALA 80 HB1 ALA 80 -4.504 5.798 14.454 509 HB2 ALA 80 HB2 ALA 80 -5.255 6.431 12.977 510 HB3 ALA 80 HB3 ALA 80 -5.898 4.974 13.729 511 H GLN 81 H GLN 81 -5.658 2.908 13.177 512 HA GLN 81 HA GLN 81 -4.492 1.450 15.233 513 HB3 GLN 81 HB3 GLN 81 -6.903 1.659 14.497 514 HG3 GLN 81 HG3 GLN 81 -6.246 -0.705 12.728 515 HE21 GLN 81 HE22 GLN 81 -8.208 -0.957 11.037 516 HE22 GLN 81 HE21 GLN 81 -9.786 -0.951 11.788 517 H LEU 82 H LEU 82 -4.248 0.882 11.686 518 HA LEU 82 HA LEU 82 -3.296 -1.757 11.970 519 HB3 LEU 82 HB3 LEU 82 -2.192 -1.048 9.583 520 HG LEU 82 HG LEU 82 -5.094 -1.568 10.284 521 HD11 LEU 82 HD11 LEU 82 -3.782 -1.411 7.551 522 HD12 LEU 82 HD12 LEU 82 -5.092 -0.400 8.175 523 HD13 LEU 82 HD13 LEU 82 -5.370 -2.128 7.826 524 HD21 LEU 82 HD21 LEU 82 -3.015 -3.405 9.008 525 HD22 LEU 82 HD22 LEU 82 -4.673 -3.829 9.457 526 HD23 LEU 82 HD23 LEU 82 -3.489 -3.465 10.708 527 H LEU 83 H LEU 83 -1.444 1.324 12.046 528 HA LEU 83 HA LEU 83 1.090 0.214 11.603 529 HB3 LEU 83 HB3 LEU 83 0.409 2.444 13.550 530 HG LEU 83 HG LEU 83 2.885 1.579 13.074 531 HD11 LEU 83 HD11 LEU 83 3.913 2.738 11.123 532 HD12 LEU 83 HD12 LEU 83 2.305 3.234 10.570 533 HD13 LEU 83 HD13 LEU 83 2.728 1.525 10.620 534 HD21 LEU 83 HD21 LEU 83 2.351 3.525 14.380 535 HD22 LEU 83 HD22 LEU 83 2.050 4.490 12.929 536 HD23 LEU 83 HD23 LEU 83 3.701 3.895 13.285 537 H GLN 84 H GLN 84 -0.950 0.248 14.530 538 HA GLN 84 HA GLN 84 1.272 -0.419 16.299 539 HB3 GLN 84 HB3 GLN 84 -0.681 -0.770 17.938 540 HG3 GLN 84 HG3 GLN 84 -0.325 1.890 16.476 541 HE21 GLN 84 HE22 GLN 84 -1.963 3.273 17.015 542 HE22 GLN 84 HE21 GLN 84 -2.854 3.205 18.545 543 H ILE 85 H ILE 85 -1.020 -2.237 14.367 544 HA ILE 85 HA ILE 85 -0.462 -4.820 15.599 545 HB ILE 85 HB ILE 85 -1.676 -4.104 12.907 546 HG13 ILE 85 HG13 ILE 85 -2.962 -3.347 14.980 547 HG21 ILE 85 HG21 ILE 85 -0.726 -6.415 12.936 548 HG22 ILE 85 HG22 ILE 85 -1.621 -6.776 14.416 549 HG23 ILE 85 HG23 ILE 85 -2.464 -6.475 12.885 550 HD11 ILE 85 HD11 ILE 85 -5.100 -4.314 14.395 551 HD12 ILE 85 HD12 ILE 85 -4.213 -3.787 12.946 552 HD13 ILE 85 HD13 ILE 85 -4.335 -5.520 13.367 553 H LEU 86 H LEU 86 0.629 -2.944 12.744 554 HA LEU 86 HA LEU 86 2.292 -4.985 11.689 555 HB3 LEU 86 HB3 LEU 86 3.462 -2.774 10.664 556 HG LEU 86 HG LEU 86 2.185 -4.530 9.463 557 HD11 LEU 86 HD11 LEU 86 -0.228 -2.736 9.999 558 HD12 LEU 86 HD12 LEU 86 0.003 -4.363 10.667 559 HD13 LEU 86 HD13 LEU 86 -0.204 -4.160 8.949 560 HD21 LEU 86 HD21 LEU 86 1.615 -1.661 8.619 561 HD22 LEU 86 HD22 LEU 86 1.600 -3.115 7.578 562 HD23 LEU 86 HD23 LEU 86 3.112 -2.567 8.314 563 H GLN 87 H GLN 87 2.974 -2.621 14.167 564 HA GLN 87 HA GLN 87 5.826 -2.771 14.231 565 HB3 GLN 87 HB3 GLN 87 5.355 -2.066 16.704 566 HG3 GLN 87 HG3 GLN 87 4.115 0.050 15.941 567 HE21 GLN 87 HE22 GLN 87 5.458 1.897 14.824 568 HE22 GLN 87 HE21 GLN 87 7.185 1.706 14.918 569 H ALA 88 H ALA 88 3.751 -5.349 14.587 570 HA ALA 88 HA ALA 88 5.546 -6.745 16.532 571 HB1 ALA 88 HB1 ALA 88 3.311 -6.220 17.462 572 HB2 ALA 88 HB2 ALA 88 2.560 -7.137 16.134 573 HB3 ALA 88 HB3 ALA 88 3.605 -7.963 17.309 574 H LEU 89 H LEU 89 5.000 -6.651 13.237 575 HA LEU 89 HA LEU 89 5.635 -9.522 13.018 576 HB3 LEU 89 HB3 LEU 89 3.155 -9.312 12.884 577 HG LEU 89 HG LEU 89 3.488 -7.116 11.147 578 HD11 LEU 89 HD11 LEU 89 2.652 -7.785 9.002 579 HD12 LEU 89 HD12 LEU 89 2.793 -9.501 9.458 580 HD13 LEU 89 HD13 LEU 89 4.245 -8.465 9.330 581 HD21 LEU 89 HD21 LEU 89 1.079 -8.959 11.337 582 HD22 LEU 89 HD22 LEU 89 1.081 -7.273 10.783 583 HD23 LEU 89 HD23 LEU 89 1.471 -7.648 12.467 584 H HIS 90 H HIS 90 6.463 -10.112 10.953 585 HA HIS 90 HA HIS 90 7.099 -7.918 9.064 586 HB3 HIS 90 HB3 HIS 90 9.123 -9.285 8.373 587 HD1 HIS 90 HD1 HIS 90 9.070 -6.295 9.384 588 HD2 HIS 90 HD2 HIS 90 10.881 -9.576 11.354 589 HE1 HIS 90 HE1 HIS 90 10.872 -5.346 10.805 590 HA PRO 91 HA PRO 91 4.952 -10.830 6.463 591 HB3 PRO 91 HB3 PRO 91 4.670 -9.005 5.029 592 HG3 PRO 91 HG3 PRO 91 6.486 -7.551 4.479 593 HD3 PRO 91 HD3 PRO 91 6.305 -7.486 6.829 594 HA PRO 92 HA PRO 92 7.732 -14.126 5.781 595 HB3 PRO 92 HB3 PRO 92 5.872 -15.479 5.653 596 HG3 PRO 92 HG3 PRO 92 3.944 -14.842 4.388 597 HD3 PRO 92 HD3 PRO 92 4.411 -13.134 5.951 598 H LEU 93 H LEU 93 7.272 -11.949 3.239 599 HA LEU 93 HA LEU 93 8.956 -13.304 1.270 600 HB3 LEU 93 HB3 LEU 93 8.649 -10.672 0.403 601 HG LEU 93 HG LEU 93 6.758 -11.398 -0.915 602 HD11 LEU 93 HD11 LEU 93 8.991 -13.478 -0.839 603 HD12 LEU 93 HD12 LEU 93 9.114 -11.873 -1.582 604 HD13 LEU 93 HD13 LEU 93 7.961 -13.071 -2.216 605 HD21 LEU 93 HD21 LEU 93 5.632 -12.846 0.768 606 HD22 LEU 93 HD22 LEU 93 6.895 -14.084 0.519 607 HD23 LEU 93 HD23 LEU 93 5.828 -13.613 -0.818 608 H THR 94 H THR 94 10.571 -13.560 3.095 609 HA THR 94 HA THR 94 12.347 -11.259 3.382 610 HB THR 94 HB THR 94 13.273 -13.920 4.290 611 HG1 THR 94 HG1 THR 94 11.408 -14.308 5.267 612 HG21 THR 94 HG21 THR 94 14.008 -12.785 6.195 613 HG22 THR 94 HG22 THR 94 13.128 -11.318 5.733 614 HG23 THR 94 HG23 THR 94 14.502 -11.893 4.736 615 H ILE 95 H ILE 95 13.133 -10.767 1.458 616 HA ILE 95 HA ILE 95 14.430 -12.817 -0.236 617 HB ILE 95 HB ILE 95 12.833 -11.262 -1.312 618 HG13 ILE 95 HG13 ILE 95 15.753 -11.064 -2.168 619 HG21 ILE 95 HG21 ILE 95 13.245 -9.257 0.136 620 HG22 ILE 95 HG22 ILE 95 14.797 -9.042 -0.729 621 HG23 ILE 95 HG23 ILE 95 13.254 -8.920 -1.603 622 HD11 ILE 95 HD11 ILE 95 14.550 -13.280 -2.461 623 HD12 ILE 95 HD12 ILE 95 13.348 -12.421 -3.446 624 HD13 ILE 95 HD13 ILE 95 15.027 -12.514 -3.986 625 H ASP 96 H ASP 96 16.562 -12.852 -0.388 626 HA ASP 96 HA ASP 96 18.763 -12.727 -0.060 627 HB3 ASP 96 HB3 ASP 96 18.246 -9.766 -0.066 628 H GLY 97 H GLY 97 16.928 -11.402 2.511 629 HA2 GLY 97 HA2 GLY 97 17.658 -12.306 4.736 630 HA3 GLY 97 HA3 GLY 97 19.250 -11.663 4.389 631 H LYS 98 H LYS 98 16.160 -9.903 3.627 632 HA LYS 98 HA LYS 98 16.722 -8.131 5.917 633 HB3 LYS 98 HB3 LYS 98 17.605 -6.812 4.420 634 HG3 LYS 98 HG3 LYS 98 17.223 -8.086 2.371 635 HD3 LYS 98 HD3 LYS 98 14.718 -8.314 2.819 636 HE3 LYS 98 HE3 LYS 98 14.638 -5.643 1.346 637 HZ1 LYS 98 HZ1 LYS 98 12.260 -5.876 1.988 638 HZ2 LYS 98 HZ2 LYS 98 12.530 -7.371 2.567 639 HZ3 LYS 98 HZ3 LYS 98 12.717 -7.078 0.966 640 H THR 99 H THR 99 14.902 -6.746 6.542 641 HA THR 99 HA THR 99 12.307 -8.136 6.180 642 HB THR 99 HB THR 99 12.020 -7.664 8.668 643 HG1 THR 99 HG1 THR 99 13.815 -6.307 9.104 644 HG21 THR 99 HG21 THR 99 12.619 -9.924 7.608 645 HG22 THR 99 HG22 THR 99 13.097 -9.713 9.299 646 HG23 THR 99 HG23 THR 99 14.301 -9.582 8.003 647 H ILE 100 H ILE 100 10.448 -6.810 6.551 648 HA ILE 100 HA ILE 100 10.806 -4.115 5.385 649 HB ILE 100 HB ILE 100 8.280 -5.658 6.065 650 HG13 ILE 100 HG13 ILE 100 8.266 -6.114 3.547 651 HG21 ILE 100 HG21 ILE 100 7.822 -3.301 5.774 652 HG22 ILE 100 HG22 ILE 100 8.790 -3.237 4.287 653 HG23 ILE 100 HG23 ILE 100 7.277 -4.168 4.337 654 HD11 ILE 100 HD11 ILE 100 10.344 -6.204 2.372 655 HD12 ILE 100 HD12 ILE 100 10.182 -4.552 2.989 656 HD13 ILE 100 HD13 ILE 100 11.288 -5.693 3.768 657 H ASN 101 H ASN 101 10.563 -2.280 6.539 658 HA ASN 101 HA ASN 101 9.919 -2.534 9.434 659 HB3 ASN 101 HB3 ASN 101 11.129 -0.085 9.205 660 HD21 ASN 101 HD22 ASN 101 13.597 -0.136 9.871 661 HD22 ASN 101 HD21 ASN 101 14.009 -1.426 10.968 662 H VAL 102 H VAL 102 9.032 -0.661 10.474 663 HA VAL 102 HA VAL 102 6.592 0.079 9.006 664 HB VAL 102 HB VAL 102 7.107 -0.609 11.922 665 HG11 VAL 102 HG11 VAL 102 5.188 0.869 11.776 666 HG12 VAL 102 HG12 VAL 102 4.518 -0.062 10.405 667 HG13 VAL 102 HG13 VAL 102 4.602 -0.778 12.027 668 HG21 VAL 102 HG21 VAL 102 5.771 -2.199 9.674 669 HG22 VAL 102 HG22 VAL 102 7.332 -2.589 10.437 670 HG23 VAL 102 HG23 VAL 102 5.866 -2.676 11.392 671 H GLU 103 H GLU 103 6.071 2.172 8.727 672 HA GLU 103 HA GLU 103 6.766 4.241 10.624 673 HB3 GLU 103 HB3 GLU 103 7.924 4.077 7.809 674 HG3 GLU 103 HG3 GLU 103 7.200 6.525 9.239 675 H PHE 104 H PHE 104 5.459 6.216 10.055 676 HA PHE 104 HA PHE 104 3.251 5.656 8.170 677 HB3 PHE 104 HB3 PHE 104 2.706 7.196 10.704 678 HD1 PHE 104 HD2 PHE 104 1.386 7.324 7.917 679 HD2 PHE 104 HD1 PHE 104 0.585 4.879 11.376 680 HE1 PHE 104 HE2 PHE 104 -0.900 6.852 7.086 681 HE2 PHE 104 HE1 PHE 104 -1.632 4.352 10.496 682 HZ PHE 104 HZ PHE 104 -2.344 5.310 8.301 683 H ALA 105 H ALA 105 3.600 6.998 6.620 684 HA ALA 105 HA ALA 105 5.233 9.398 6.744 685 HB1 ALA 105 HB1 ALA 105 3.549 8.239 4.475 686 HB2 ALA 105 HB2 ALA 105 4.796 9.475 4.308 687 HB3 ALA 105 HB3 ALA 105 5.248 7.851 4.818 688 H LYS 106 H LYS 106 2.631 9.439 8.275 689 HA LYS 106 HA LYS 106 0.770 11.033 6.664 690 HB3 LYS 106 HB3 LYS 106 -0.095 9.168 7.832 691 HG3 LYS 106 HG3 LYS 106 1.618 9.343 9.867 692 HD3 LYS 106 HD3 LYS 106 -0.894 10.397 11.155 693 HE3 LYS 106 HE3 LYS 106 2.068 10.389 11.917 694 HZ1 LYS 106 HZ1 LYS 106 0.712 12.065 13.025 695 HZ2 LYS 106 HZ2 LYS 106 1.343 10.964 14.050 696 HZ3 LYS 106 HZ3 LYS 106 -0.255 10.857 13.659 697 H GLY 107 H GLY 107 -0.414 12.816 7.740 698 HA2 GLY 107 HA2 GLY 107 1.112 14.494 9.619 699 HA3 GLY 107 HA3 GLY 107 0.614 15.171 8.064 700 H SER 108 H SER 108 -0.372 16.333 10.295 701 HA SER 108 HA SER 108 -3.052 15.355 10.993 702 HB3 SER 108 HB3 SER 108 -3.299 17.746 11.799 703 HG SER 108 HG SER 108 -1.029 16.266 12.706 704 H LYS 109 H LYS 109 -4.660 15.283 9.404 705 HA LYS 109 HA LYS 109 -5.262 17.920 8.397 706 HB3 LYS 109 HB3 LYS 109 -5.218 15.643 6.359 707 HG3 LYS 109 HG3 LYS 109 -6.854 17.462 5.848 708 HD3 LYS 109 HD3 LYS 109 -4.398 19.243 6.173 709 HE3 LYS 109 HE3 LYS 109 -7.078 19.827 4.839 710 HZ1 LYS 109 HZ1 LYS 109 -4.883 21.652 5.581 711 HZ2 LYS 109 HZ2 LYS 109 -6.439 21.625 6.229 712 HZ3 LYS 109 HZ3 LYS 109 -6.194 22.044 4.668 713 H ARG 110 H ARG 110 -7.078 18.029 9.665 714 HA ARG 110 HA ARG 110 -9.023 15.760 9.514 715 HB3 ARG 110 HB3 ARG 110 -9.569 16.251 11.861 716 HG3 ARG 110 HG3 ARG 110 -7.739 14.549 11.032 717 HD3 ARG 110 HD3 ARG 110 -5.857 16.343 11.447 718 HE ARG 110 HE ARG 110 -6.823 16.782 13.819 719 HH11 ARG 110 HH11 ARG 110 -4.038 14.615 13.225 720 HH12 ARG 110 HH12 ARG 110 -3.399 14.824 14.811 721 HH21 ARG 110 HH22 ARG 110 -6.120 16.835 15.899 722 HH22 ARG 110 HH21 ARG 110 -4.719 15.977 16.448 723 H ASP 111 H ASP 111 -8.766 18.737 8.304 724 HA ASP 111 HA ASP 111 -11.468 19.610 9.122 725 HB3 ASP 111 HB3 ASP 111 -9.388 20.960 9.740 726 H MET 112 H MET 112 -10.955 17.683 7.016 727 HA MET 112 HA MET 112 -11.974 18.918 4.564 728 HB3 MET 112 HB3 MET 112 -12.731 16.134 4.838 729 HG3 MET 112 HG3 MET 112 -12.183 17.332 2.738 730 HE1 MET 112 HE1 MET 112 -8.844 16.410 4.798 731 HE2 MET 112 HE2 MET 112 -8.857 15.524 3.258 732 HE3 MET 112 HE3 MET 112 -7.662 16.814 3.529 733 H ALA 113 H ALA 113 -14.273 17.955 3.884 734 HA ALA 113 HA ALA 113 -16.127 17.731 6.146 735 HB1 ALA 113 HB1 ALA 113 -16.507 19.792 3.924 736 HB2 ALA 113 HB2 ALA 113 -17.686 19.392 5.189 737 HB3 ALA 113 HB3 ALA 113 -16.148 20.154 5.628 738 H SER 114 H SER 114 -18.277 17.111 5.319 739 HA SER 114 HA SER 114 -18.063 14.647 4.086 740 HB3 SER 114 HB3 SER 114 -20.426 14.496 4.719 741 HG SER 114 HG SER 114 -20.007 16.014 6.800 742 H ASN 115 H ASN 115 -17.309 16.323 1.943 743 HA ASN 115 HA ASN 115 -19.657 16.178 0.072 744 HB3 ASN 115 HB3 ASN 115 -19.083 18.306 -0.850 745 HD21 ASN 115 HD22 ASN 115 -17.751 19.652 1.948 746 HD22 ASN 115 HD21 ASN 115 -19.268 20.070 2.740 747 H GLU 116 H GLU 116 -17.038 14.523 0.549 748 HA GLU 116 HA GLU 116 -16.428 14.262 -2.321 749 HB3 GLU 116 HB3 GLU 116 -14.319 13.721 -0.192 750 HG3 GLU 116 HG3 GLU 116 -12.854 14.581 -2.144 751 H GLY 117 H GLY 117 -16.054 11.867 -2.743 752 HA2 GLY 117 HA2 GLY 117 -17.955 10.333 -1.097 753 HA3 GLY 117 HA3 GLY 117 -17.241 9.855 -2.637 754 H SER 118 H SER 118 -14.517 10.601 -1.692 755 HA SER 118 HA SER 118 -12.663 9.741 -0.824 756 HB3 SER 118 HB3 SER 118 -12.615 9.230 1.528 757 HG SER 118 HG SER 118 -13.470 11.067 2.322 758 H ARG 119 H ARG 119 -14.661 7.581 -2.226 759 HA ARG 119 HA ARG 119 -13.423 5.140 -1.121 760 HB3 ARG 119 HB3 ARG 119 -16.387 5.836 -0.870 761 HG3 ARG 119 HG3 ARG 119 -16.276 4.006 0.886 762 HD3 ARG 119 HD3 ARG 119 -15.809 2.881 -1.889 763 HE ARG 119 HE ARG 119 -16.513 1.135 -0.611 764 HH11 ARG 119 HH11 ARG 119 -18.570 3.917 0.423 765 HH12 ARG 119 HH12 ARG 119 -19.865 2.940 0.930 766 HH21 ARG 119 HH22 ARG 119 -18.312 -0.110 -0.041 767 HH22 ARG 119 HH21 ARG 119 -19.777 0.627 0.535 768 H ILE 120 H ILE 120 -12.633 4.852 -3.206 769 HA ILE 120 HA ILE 120 -14.642 3.820 -5.172 770 HB ILE 120 HB ILE 120 -12.095 5.289 -5.953 771 HG13 ILE 120 HG13 ILE 120 -13.690 6.871 -4.921 772 HG21 ILE 120 HG21 ILE 120 -12.923 3.588 -7.596 773 HG22 ILE 120 HG22 ILE 120 -14.496 4.428 -7.643 774 HG23 ILE 120 HG23 ILE 120 -13.012 5.211 -8.233 775 HD11 ILE 120 HD11 ILE 120 -13.829 8.516 -6.612 776 HD12 ILE 120 HD12 ILE 120 -12.320 7.625 -6.882 777 HD13 ILE 120 HD13 ILE 120 -13.744 7.325 -7.918 778 H SER 121 H SER 121 -14.184 1.786 -5.972 779 HA SER 121 HA SER 121 -11.485 0.678 -5.942 780 HB3 SER 121 HB3 SER 121 -12.355 -0.005 -3.783 781 HG SER 121 HG SER 121 -14.287 -1.303 -3.785 782 H ALA 122 H ALA 122 -11.734 -1.677 -7.085 783 HA ALA 122 HA ALA 122 -14.097 -2.090 -8.609 784 HB1 ALA 122 HB1 ALA 122 -12.938 -0.506 -10.172 785 HB2 ALA 122 HB2 ALA 122 -11.526 -1.593 -10.184 786 HB3 ALA 122 HB3 ALA 122 -13.091 -2.135 -10.833 787 H ALA 123 H ALA 123 -13.717 -4.205 -9.954 788 HA ALA 123 HA ALA 123 -12.122 -6.111 -8.337 789 HB1 ALA 123 HB1 ALA 123 -14.191 -6.546 -10.536 790 HB2 ALA 123 HB2 ALA 123 -13.302 -7.830 -9.685 791 HB3 ALA 123 HB3 ALA 123 -14.400 -6.772 -8.790 792 H SER 124 H SER 124 -12.679 -6.248 -11.863 793 HA SER 124 HA SER 124 -9.796 -6.005 -12.476 794 HB3 SER 124 HB3 SER 124 -10.014 -8.026 -13.896 795 HG SER 124 HG SER 124 -9.431 -9.162 -12.343 796 H VAL 125 H VAL 125 -9.637 -6.053 -15.077 797 HA VAL 125 HA VAL 125 -12.065 -5.290 -16.432 798 HB VAL 125 HB VAL 125 -11.172 -3.133 -15.658 799 HG11 VAL 125 HG11 VAL 125 -8.773 -3.608 -15.479 800 HG12 VAL 125 HG12 VAL 125 -8.643 -3.748 -17.245 801 HG13 VAL 125 HG13 VAL 125 -9.064 -2.198 -16.494 802 HG21 VAL 125 HG21 VAL 125 -12.345 -3.282 -17.826 803 HG22 VAL 125 HG22 VAL 125 -11.178 -1.954 -17.760 804 HG23 VAL 125 HG23 VAL 125 -10.779 -3.430 -18.654 805 H ALA 126 H ALA 126 -11.885 -5.851 -18.665 806 HA ALA 126 HA ALA 126 -9.413 -7.018 -19.715 807 HB1 ALA 126 HB1 ALA 126 -10.268 -8.907 -18.444 808 HB2 ALA 126 HB2 ALA 126 -11.901 -8.695 -19.123 809 HB3 ALA 126 HB3 ALA 126 -10.562 -9.209 -20.163 810 H SER 127 H SER 127 -9.506 -5.641 -21.509 811 HA SER 127 HA SER 127 -11.329 -6.519 -23.540 812 HB3 SER 127 HB3 SER 127 -12.257 -4.421 -24.238 813 HG SER 127 HG SER 127 -12.937 -5.552 -22.025 814 H THR 128 H THR 128 -8.587 -6.924 -23.194 815 HA THR 128 HA THR 128 -7.304 -5.171 -25.181 816 HB THR 128 HB THR 128 -6.101 -5.662 -22.427 817 HG1 THR 128 HG1 THR 128 -6.737 -3.678 -21.821 818 HG21 THR 128 HG21 THR 128 -5.333 -3.749 -24.674 819 HG22 THR 128 HG22 THR 128 -4.402 -5.147 -24.086 820 HG23 THR 128 HG23 THR 128 -4.622 -3.748 -23.042 821 H ALA 129 H ALA 129 -5.302 -6.153 -25.995 822 HA ALA 129 HA ALA 129 -4.676 -8.857 -25.176 823 HB1 ALA 129 HB1 ALA 129 -5.163 -8.111 -28.104 824 HB2 ALA 129 HB2 ALA 129 -4.471 -9.643 -27.512 825 HB3 ALA 129 HB3 ALA 129 -6.158 -9.228 -27.139 826 H ILE 130 H ILE 130 -2.422 -9.364 -26.054 827 HA ILE 130 HA ILE 130 -0.776 -7.043 -26.681 828 HB ILE 130 HB ILE 130 -1.218 -6.986 -24.227 829 HG13 ILE 130 HG13 ILE 130 0.954 -6.192 -25.344 830 HG21 ILE 130 HG21 ILE 130 -0.289 -8.670 -22.710 831 HG22 ILE 130 HG22 ILE 130 -1.446 -9.416 -23.795 832 HG23 ILE 130 HG23 ILE 130 0.289 -9.640 -24.082 833 HD11 ILE 130 HD11 ILE 130 1.082 -6.878 -22.373 834 HD12 ILE 130 HD12 ILE 130 2.034 -5.660 -23.232 835 HD13 ILE 130 HD13 ILE 130 0.271 -5.462 -23.084 836 H ALA 131 H ALA 131 1.658 -7.890 -26.746 837 HA ALA 131 HA ALA 131 1.967 -10.730 -27.136 838 HB1 ALA 131 HB1 ALA 131 1.748 -9.888 -29.472 839 HB2 ALA 131 HB2 ALA 131 2.954 -8.613 -29.118 840 HB3 ALA 131 HB3 ALA 131 3.432 -10.325 -29.104 Start of MODEL 8 1 H1 GLN 1 H1 GLN 1 -28.276 13.623 -17.148 2 HA GLN 1 HA GLN 1 -27.275 10.902 -17.666 3 HB3 GLN 1 HB3 GLN 1 -26.507 13.513 -19.050 4 HG3 GLN 1 HG3 GLN 1 -25.759 10.585 -19.413 5 HE21 GLN 1 HE22 GLN 1 -24.821 13.569 -21.200 6 HE22 GLN 1 HE21 GLN 1 -25.241 12.903 -22.780 7 H ALA 2 H ALA 2 -26.203 10.405 -15.800 8 HA ALA 2 HA ALA 2 -23.707 11.875 -15.370 9 HB1 ALA 2 HB1 ALA 2 -23.987 11.973 -12.949 10 HB2 ALA 2 HB2 ALA 2 -25.210 12.945 -13.766 11 HB3 ALA 2 HB3 ALA 2 -25.648 11.351 -13.088 12 H GLN 3 H GLN 3 -23.475 9.772 -16.712 13 HA GLN 3 HA GLN 3 -22.667 7.601 -14.847 14 HB3 GLN 3 HB3 GLN 3 -22.927 6.211 -17.134 15 HG3 GLN 3 HG3 GLN 3 -23.794 5.602 -14.909 16 HE21 GLN 3 HE22 GLN 3 -24.965 6.316 -13.146 17 HE22 GLN 3 HE21 GLN 3 -26.462 7.187 -13.240 18 H GLY 4 H GLY 4 -20.580 7.764 -14.714 19 HA2 GLY 4 HA2 GLY 4 -18.654 6.894 -15.901 20 HA3 GLY 4 HA3 GLY 4 -18.903 8.118 -17.153 21 H VAL 5 H VAL 5 -19.628 10.186 -15.089 22 HA VAL 5 HA VAL 5 -16.986 10.770 -13.881 23 HB VAL 5 HB VAL 5 -17.208 13.078 -14.979 24 HG11 VAL 5 HG11 VAL 5 -15.521 11.320 -15.464 25 HG12 VAL 5 HG12 VAL 5 -16.567 10.716 -16.775 26 HG13 VAL 5 HG13 VAL 5 -15.877 12.344 -16.840 27 HG21 VAL 5 HG21 VAL 5 -18.284 13.138 -17.201 28 HG22 VAL 5 HG22 VAL 5 -18.972 11.542 -16.961 29 HG23 VAL 5 HG23 VAL 5 -19.484 12.911 -15.943 30 H LEU 6 H LEU 6 -17.395 11.038 -11.835 31 HA LEU 6 HA LEU 6 -19.552 12.866 -10.943 32 HB3 LEU 6 HB3 LEU 6 -19.983 11.284 -9.056 33 HG LEU 6 HG LEU 6 -20.404 10.004 -11.810 34 HD11 LEU 6 HD11 LEU 6 -21.641 9.287 -9.145 35 HD12 LEU 6 HD12 LEU 6 -20.405 8.334 -10.008 36 HD13 LEU 6 HD13 LEU 6 -21.997 8.540 -10.730 37 HD21 LEU 6 HD21 LEU 6 -21.637 12.095 -11.588 38 HD22 LEU 6 HD22 LEU 6 -22.248 11.614 -9.984 39 HD23 LEU 6 HD23 LEU 6 -22.764 10.732 -11.438 40 H ALA 7 H ALA 7 -18.897 14.075 -9.089 41 HA ALA 7 HA ALA 7 -16.563 13.435 -7.585 42 HB1 ALA 7 HB1 ALA 7 -15.288 15.507 -8.230 43 HB2 ALA 7 HB2 ALA 7 -15.379 14.354 -9.570 44 HB3 ALA 7 HB3 ALA 7 -16.446 15.775 -9.546 45 H SER 8 H SER 8 -16.405 14.809 -5.812 46 HA SER 8 HA SER 8 -18.704 16.420 -5.044 47 HB3 SER 8 HB3 SER 8 -15.933 16.364 -3.785 48 HG SER 8 HG SER 8 -18.077 16.097 -2.192 49 H GLN 9 H GLN 9 -18.264 18.726 -4.439 50 HA GLN 9 HA GLN 9 -16.347 20.125 -6.254 51 HB3 GLN 9 HB3 GLN 9 -17.580 22.194 -5.586 52 HG3 GLN 9 HG3 GLN 9 -19.588 21.840 -6.965 53 HE21 GLN 9 HE22 GLN 9 -18.700 19.387 -8.894 54 HE22 GLN 9 HE21 GLN 9 -17.551 20.221 -9.911 55 H ALA 10 H ALA 10 -14.453 20.040 -5.203 56 HA ALA 10 HA ALA 10 -14.235 21.613 -2.797 57 HB1 ALA 10 HB1 ALA 10 -14.346 19.264 -1.872 58 HB2 ALA 10 HB2 ALA 10 -12.937 18.855 -2.894 59 HB3 ALA 10 HB3 ALA 10 -12.782 20.052 -1.610 60 H LEU 11 H LEU 11 -12.077 22.595 -2.791 61 HA LEU 11 HA LEU 11 -10.804 22.399 -5.502 62 HB3 LEU 11 HB3 LEU 11 -10.506 25.043 -4.773 63 HG LEU 11 HG LEU 11 -12.297 25.588 -6.342 64 HD11 LEU 11 HD11 LEU 11 -11.271 24.715 -8.347 65 HD12 LEU 11 HD12 LEU 11 -10.509 23.391 -7.453 66 HD13 LEU 11 HD13 LEU 11 -10.008 25.069 -7.164 67 HD21 LEU 11 HD21 LEU 11 -13.800 23.646 -5.746 68 HD22 LEU 11 HD22 LEU 11 -12.783 22.639 -6.788 69 HD23 LEU 11 HD23 LEU 11 -13.650 24.023 -7.467 70 H SER 12 H SER 12 -8.844 21.625 -5.308 71 HA SER 12 HA SER 12 -7.031 22.655 -3.199 72 HB3 SER 12 HB3 SER 12 -6.783 19.837 -4.195 73 HG SER 12 HG SER 12 -5.542 20.924 -2.416 74 H GLN 13 H GLN 13 -7.090 24.003 -5.652 75 HA GLN 13 HA GLN 13 -4.521 23.219 -6.803 76 HB3 GLN 13 HB3 GLN 13 -6.049 23.963 -9.061 77 HG3 GLN 13 HG3 GLN 13 -5.804 21.614 -9.766 78 HE21 GLN 13 HE22 GLN 13 -3.256 20.370 -8.846 79 HE22 GLN 13 HE21 GLN 13 -2.002 21.494 -9.346 80 H GLY 14 H GLY 14 -3.688 24.868 -8.226 81 HA2 GLY 14 HA2 GLY 14 -2.925 26.971 -8.608 82 HA3 GLY 14 HA3 GLY 14 -4.620 27.459 -8.524 83 H SER 15 H SER 15 -2.244 26.260 -5.993 84 HA SER 15 HA SER 15 -2.258 28.779 -4.658 85 HB3 SER 15 HB3 SER 15 -4.327 28.194 -3.780 86 HG SER 15 HG SER 15 -5.074 26.288 -3.391 87 H GLU 16 H GLU 16 -0.641 28.953 -3.312 88 HA GLU 16 HA GLU 16 1.089 26.647 -2.571 89 HB3 GLU 16 HB3 GLU 16 2.483 28.035 -3.862 90 HG3 GLU 16 HG3 GLU 16 0.942 30.327 -2.714 91 HA PRO 17 HA PRO 17 -0.744 28.264 1.351 92 HB3 PRO 17 HB3 PRO 17 -2.534 26.773 1.289 93 HG3 PRO 17 HG3 PRO 17 -2.335 24.672 0.182 94 HD3 PRO 17 HD3 PRO 17 -1.703 26.146 -1.485 95 H SER 18 H SER 18 0.157 27.871 3.459 96 HA SER 18 HA SER 18 2.948 27.345 3.658 97 HB3 SER 18 HB3 SER 18 0.593 27.645 5.544 98 HG SER 18 HG SER 18 3.257 27.070 6.326 99 H SER 19 H SER 19 0.116 25.211 3.923 100 HA SER 19 HA SER 19 1.542 23.053 5.210 101 HB3 SER 19 HB3 SER 19 -0.622 23.036 5.927 102 HG SER 19 HG SER 19 -2.389 23.682 4.307 103 H GLU 20 H GLU 20 2.513 21.316 4.176 104 HA GLU 20 HA GLU 20 2.817 21.023 1.387 105 HB3 GLU 20 HB3 GLU 20 3.009 18.493 2.048 106 HG3 GLU 20 HG3 GLU 20 4.986 20.060 1.766 107 H ASN 21 H ASN 21 0.499 19.337 3.548 108 HA ASN 21 HA ASN 21 -1.414 18.773 1.391 109 HB3 ASN 21 HB3 ASN 21 0.431 17.013 1.258 110 HD21 ASN 21 HD22 ASN 21 2.047 17.027 2.868 111 HD22 ASN 21 HD21 ASN 21 1.923 16.152 4.369 112 H ALA 22 H ALA 22 -3.089 17.128 2.538 113 HA ALA 22 HA ALA 22 -2.816 16.765 5.284 114 HB1 ALA 22 HB1 ALA 22 -5.064 17.628 6.035 115 HB2 ALA 22 HB2 ALA 22 -3.916 18.915 5.665 116 HB3 ALA 22 HB3 ALA 22 -5.201 18.507 4.513 117 H ASN 23 H ASN 23 -2.679 14.667 4.288 118 HA ASN 23 HA ASN 23 -5.318 13.402 4.026 119 HB3 ASN 23 HB3 ASN 23 -3.893 11.994 2.148 120 HD21 ASN 23 HD22 ASN 23 -6.638 12.488 2.730 121 HD22 ASN 23 HD21 ASN 23 -7.362 13.194 1.335 122 H ASP 24 H ASP 24 -5.212 11.129 4.484 123 HA ASP 24 HA ASP 24 -2.864 10.195 6.028 124 HB3 ASP 24 HB3 ASP 24 -5.085 9.783 6.967 125 H THR 25 H THR 25 -1.870 8.163 5.472 126 HA THR 25 HA THR 25 -2.229 6.574 3.229 127 HB THR 25 HB THR 25 -0.208 8.809 2.919 128 HG1 THR 25 HG1 THR 25 -2.320 8.854 1.960 129 HG21 THR 25 HG21 THR 25 1.158 6.839 2.502 130 HG22 THR 25 HG22 THR 25 0.779 7.677 0.992 131 HG23 THR 25 HG23 THR 25 -0.085 6.178 1.405 132 H ILE 26 H ILE 26 -0.613 4.826 3.297 133 HA ILE 26 HA ILE 26 1.080 4.761 5.745 134 HB ILE 26 HB ILE 26 -0.592 2.661 4.380 135 HG13 ILE 26 HG13 ILE 26 -1.567 2.213 6.449 136 HG21 ILE 26 HG21 ILE 26 0.476 0.938 5.833 137 HG22 ILE 26 HG22 ILE 26 1.484 1.504 4.502 138 HG23 ILE 26 HG23 ILE 26 1.799 2.077 6.152 139 HD11 ILE 26 HD11 ILE 26 -1.012 3.243 8.572 140 HD12 ILE 26 HD12 ILE 26 0.394 2.358 7.993 141 HD13 ILE 26 HD13 ILE 26 0.342 4.134 7.825 142 H ILE 27 H ILE 27 3.237 3.884 5.417 143 HA ILE 27 HA ILE 27 4.089 3.541 2.626 144 HB ILE 27 HB ILE 27 4.481 5.913 3.472 145 HG13 ILE 27 HG13 ILE 27 6.659 4.185 2.307 146 HG21 ILE 27 HG21 ILE 27 6.169 6.431 5.017 147 HG22 ILE 27 HG22 ILE 27 5.159 5.209 5.794 148 HG23 ILE 27 HG23 ILE 27 6.735 4.750 5.095 149 HD11 ILE 27 HD11 ILE 27 6.592 6.088 0.641 150 HD12 ILE 27 HD12 ILE 27 5.029 5.255 0.826 151 HD13 ILE 27 HD13 ILE 27 5.319 6.833 1.601 152 H LEU 28 H LEU 28 5.882 2.065 2.501 153 HA LEU 28 HA LEU 28 6.605 0.600 5.022 154 HB3 LEU 28 HB3 LEU 28 6.979 -1.376 3.578 155 HG LEU 28 HG LEU 28 4.849 -2.268 3.355 156 HD11 LEU 28 HD11 LEU 28 4.517 -0.283 5.621 157 HD12 LEU 28 HD12 LEU 28 5.430 -1.807 5.696 158 HD13 LEU 28 HD13 LEU 28 3.693 -1.847 5.413 159 HD21 LEU 28 HD21 LEU 28 2.779 -1.097 3.171 160 HD22 LEU 28 HD22 LEU 28 3.885 -0.481 1.926 161 HD23 LEU 28 HD23 LEU 28 3.550 0.470 3.390 162 H ARG 29 H ARG 29 8.839 0.080 5.118 163 HA ARG 29 HA ARG 29 10.555 1.188 2.957 164 HB3 ARG 29 HB3 ARG 29 12.032 2.236 4.576 165 HG3 ARG 29 HG3 ARG 29 9.148 3.035 5.167 166 HD3 ARG 29 HD3 ARG 29 10.773 3.952 6.799 167 HE ARG 29 HE ARG 29 12.306 4.629 4.476 168 HH11 ARG 29 HH11 ARG 29 11.085 6.307 7.372 169 HH12 ARG 29 HH12 ARG 29 12.462 7.358 7.489 170 HH21 ARG 29 HH22 ARG 29 14.245 5.876 4.804 171 HH22 ARG 29 HH21 ARG 29 14.272 7.079 6.064 172 H ASN 30 H ASN 30 13.002 0.507 3.932 173 HA ASN 30 HA ASN 30 14.453 -1.221 3.774 174 HB3 ASN 30 HB3 ASN 30 12.739 -2.466 5.922 175 HD21 ASN 30 HD22 ASN 30 13.490 -4.448 6.611 176 HD22 ASN 30 HD21 ASN 30 15.110 -5.037 6.386 177 H LEU 31 H LEU 31 13.191 -1.393 1.627 178 HA LEU 31 HA LEU 31 12.358 -4.235 1.296 179 HB3 LEU 31 HB3 LEU 31 11.023 -3.493 -0.662 180 HG LEU 31 HG LEU 31 10.246 -1.650 1.640 181 HD11 LEU 31 HD11 LEU 31 8.033 -1.700 0.698 182 HD12 LEU 31 HD12 LEU 31 8.554 -2.857 -0.570 183 HD13 LEU 31 HD13 LEU 31 9.190 -1.210 -0.555 184 HD21 LEU 31 HD21 LEU 31 10.230 -3.814 2.580 185 HD22 LEU 31 HD22 LEU 31 9.632 -4.576 1.083 186 HD23 LEU 31 HD23 LEU 31 8.564 -3.548 2.050 187 H ASN 32 H ASN 32 12.911 -4.868 -1.210 188 HA ASN 32 HA ASN 32 15.719 -3.918 -1.570 189 HB3 ASN 32 HB3 ASN 32 15.316 -6.738 -2.227 190 HD21 ASN 32 HD22 ASN 32 17.364 -7.861 -1.782 191 HD22 ASN 32 HD21 ASN 32 18.683 -6.993 -1.046 192 HA PRO 33 HA PRO 33 14.891 -2.949 -5.493 193 HB3 PRO 33 HB3 PRO 33 16.807 -2.735 -6.477 194 HG3 PRO 33 HG3 PRO 33 18.600 -3.473 -5.293 195 HD3 PRO 33 HD3 PRO 33 17.282 -3.338 -3.340 196 H HIS 34 H HIS 34 15.258 -6.489 -5.427 197 HA HIS 34 HA HIS 34 13.361 -6.731 -7.675 198 HB3 HIS 34 HB3 HIS 34 13.994 -9.144 -7.530 199 HD1 HIS 34 HD1 HIS 34 14.677 -8.406 -10.053 200 HD2 HIS 34 HD2 HIS 34 17.328 -7.245 -6.983 201 HE1 HIS 34 HE1 HIS 34 16.753 -7.467 -11.198 202 H SER 35 H SER 35 12.842 -6.137 -4.479 203 HA SER 35 HA SER 35 11.519 -8.446 -3.632 204 HB3 SER 35 HB3 SER 35 12.193 -6.774 -2.028 205 HG SER 35 HG SER 35 10.119 -5.067 -2.966 206 H THR 36 H THR 36 9.268 -8.649 -3.255 207 HA THR 36 HA THR 36 7.538 -7.613 -5.476 208 HB THR 36 HB THR 36 6.126 -9.727 -4.755 209 HG1 THR 36 HG1 THR 36 8.794 -10.610 -4.292 210 HG21 THR 36 HG21 THR 36 8.562 -9.861 -6.579 211 HG22 THR 36 HG22 THR 36 6.934 -9.279 -7.008 212 HG23 THR 36 HG23 THR 36 7.167 -10.979 -6.583 213 H MET 37 H MET 37 5.439 -6.962 -5.096 214 HA MET 37 HA MET 37 5.008 -5.547 -2.688 215 HB3 MET 37 HB3 MET 37 4.077 -5.244 -5.111 216 HG3 MET 37 HG3 MET 37 1.624 -6.513 -3.889 217 HE1 MET 37 HE1 MET 37 0.593 -3.693 -6.490 218 HE2 MET 37 HE2 MET 37 0.625 -4.170 -4.789 219 HE3 MET 37 HE3 MET 37 2.117 -3.614 -5.586 220 H ASP 38 H ASP 38 4.335 -8.804 -3.671 221 HA ASP 38 HA ASP 38 2.155 -9.545 -2.299 222 HB3 ASP 38 HB3 ASP 38 3.133 -11.850 -2.505 223 H SER 39 H SER 39 5.519 -9.391 -1.020 224 HA SER 39 HA SER 39 5.358 -10.406 1.471 225 HB3 SER 39 HB3 SER 39 7.211 -9.053 1.941 226 HG SER 39 HG SER 39 7.226 -8.426 -0.833 227 H ILE 40 H ILE 40 3.976 -7.313 0.358 228 HA ILE 40 HA ILE 40 3.255 -6.495 3.056 229 HB ILE 40 HB ILE 40 2.845 -5.130 0.360 230 HG13 ILE 40 HG13 ILE 40 5.173 -5.150 2.283 231 HG21 ILE 40 HG21 ILE 40 2.611 -3.969 3.151 232 HG22 ILE 40 HG22 ILE 40 2.560 -3.060 1.627 233 HG23 ILE 40 HG23 ILE 40 1.293 -4.214 1.985 234 HD11 ILE 40 HD11 ILE 40 6.442 -4.598 0.222 235 HD12 ILE 40 HD12 ILE 40 5.492 -6.065 -0.029 236 HD13 ILE 40 HD13 ILE 40 4.907 -4.530 -0.675 237 H LEU 41 H LEU 41 1.849 -8.164 0.336 238 HA LEU 41 HA LEU 41 -0.914 -7.587 1.138 239 HB3 LEU 41 HB3 LEU 41 -1.474 -9.320 -0.594 240 HG LEU 41 HG LEU 41 0.277 -6.961 -1.446 241 HD11 LEU 41 HD11 LEU 41 -0.773 -7.176 -3.634 242 HD12 LEU 41 HD12 LEU 41 -1.660 -8.616 -3.091 243 HD13 LEU 41 HD13 LEU 41 0.107 -8.648 -3.225 244 HD21 LEU 41 HD21 LEU 41 -2.743 -7.269 -1.185 245 HD22 LEU 41 HD22 LEU 41 -1.928 -5.887 -1.956 246 HD23 LEU 41 HD23 LEU 41 -1.714 -6.189 -0.238 247 H GLY 42 H GLY 42 0.888 -10.715 0.899 248 HA2 GLY 42 HA2 GLY 42 -1.027 -12.071 2.435 249 HA3 GLY 42 HA3 GLY 42 0.628 -12.636 2.191 250 H ALA 43 H ALA 43 1.698 -10.122 3.606 251 HA ALA 43 HA ALA 43 1.754 -11.299 6.266 252 HB1 ALA 43 HB1 ALA 43 2.667 -8.531 5.360 253 HB2 ALA 43 HB2 ALA 43 3.080 -9.318 6.889 254 HB3 ALA 43 HB3 ALA 43 3.674 -9.992 5.358 255 H LEU 44 H LEU 44 -0.385 -9.045 4.672 256 HA LEU 44 HA LEU 44 -1.418 -8.013 7.274 257 HB3 LEU 44 HB3 LEU 44 -1.639 -5.851 6.212 258 HG LEU 44 HG LEU 44 1.145 -6.829 5.432 259 HD11 LEU 44 HD11 LEU 44 0.526 -4.656 4.449 260 HD12 LEU 44 HD12 LEU 44 1.769 -4.463 5.680 261 HD13 LEU 44 HD13 LEU 44 0.062 -4.064 6.050 262 HD21 LEU 44 HD21 LEU 44 0.139 -5.575 7.986 263 HD22 LEU 44 HD22 LEU 44 1.850 -5.891 7.623 264 HD23 LEU 44 HD23 LEU 44 0.721 -7.223 7.844 265 H ALA 45 H ALA 45 -2.227 -9.933 4.710 266 HA ALA 45 HA ALA 45 -4.461 -8.883 3.527 267 HB1 ALA 45 HB1 ALA 45 -3.819 -11.795 4.093 268 HB2 ALA 45 HB2 ALA 45 -5.077 -11.214 2.982 269 HB3 ALA 45 HB3 ALA 45 -3.381 -10.841 2.674 270 HA PRO 46 HA PRO 46 -7.518 -10.514 6.699 271 HB3 PRO 46 HB3 PRO 46 -6.823 -12.563 7.627 272 HG3 PRO 46 HG3 PRO 46 -4.556 -12.845 8.399 273 HD3 PRO 46 HD3 PRO 46 -4.561 -12.298 6.096 274 H TYR 47 H TYR 47 -5.052 -8.315 7.309 275 HA TYR 47 HA TYR 47 -6.612 -7.002 9.501 276 HB3 TYR 47 HB3 TYR 47 -4.503 -6.024 10.209 277 HD1 TYR 47 HD2 TYR 47 -6.147 -8.540 10.996 278 HD2 TYR 47 HD1 TYR 47 -2.008 -8.063 9.839 279 HE1 TYR 47 HE2 TYR 47 -5.612 -10.667 12.062 280 HE2 TYR 47 HE1 TYR 47 -1.463 -10.181 10.990 281 HH TYR 47 HH TYR 47 -3.985 -12.378 12.066 282 H ALA 48 H ALA 48 -6.235 -6.944 6.233 283 HA ALA 48 HA ALA 48 -7.006 -4.169 6.010 284 HB1 ALA 48 HB1 ALA 48 -4.242 -4.950 5.056 285 HB2 ALA 48 HB2 ALA 48 -5.148 -3.535 4.462 286 HB3 ALA 48 HB3 ALA 48 -4.691 -3.664 6.170 287 H VAL 49 H VAL 49 -8.744 -4.954 5.135 288 HA VAL 49 HA VAL 49 -8.927 -6.893 2.999 289 HB VAL 49 HB VAL 49 -10.941 -4.886 4.081 290 HG11 VAL 49 HG11 VAL 49 -11.358 -7.469 2.509 291 HG12 VAL 49 HG12 VAL 49 -12.626 -6.389 3.145 292 HG13 VAL 49 HG13 VAL 49 -11.553 -5.807 1.861 293 HG21 VAL 49 HG21 VAL 49 -11.850 -6.853 5.340 294 HG22 VAL 49 HG22 VAL 49 -10.384 -7.758 4.885 295 HG23 VAL 49 HG23 VAL 49 -10.279 -6.285 5.886 296 H LEU 50 H LEU 50 -7.417 -6.097 1.546 297 HA LEU 50 HA LEU 50 -8.346 -4.271 -0.472 298 HB3 LEU 50 HB3 LEU 50 -7.302 -2.671 0.995 299 HG LEU 50 HG LEU 50 -5.584 -4.111 2.169 300 HD11 LEU 50 HD11 LEU 50 -4.416 -5.286 0.421 301 HD12 LEU 50 HD12 LEU 50 -3.288 -4.121 1.083 302 HD13 LEU 50 HD13 LEU 50 -4.078 -3.766 -0.452 303 HD21 LEU 50 HD21 LEU 50 -3.967 -2.283 2.384 304 HD22 LEU 50 HD22 LEU 50 -5.611 -1.658 2.327 305 HD23 LEU 50 HD23 LEU 50 -4.578 -1.541 0.892 306 H SER 51 H SER 51 -6.281 -4.205 -2.138 307 HA SER 51 HA SER 51 -4.656 -6.587 -2.043 308 HB3 SER 51 HB3 SER 51 -6.400 -6.221 -4.504 309 HG SER 51 HG SER 51 -5.434 -8.727 -3.793 310 H SER 52 H SER 52 -3.773 -6.366 -4.764 311 HA SER 52 HA SER 52 -1.875 -4.250 -4.554 312 HB3 SER 52 HB3 SER 52 -1.242 -6.277 -5.551 313 HG SER 52 HG SER 52 -2.327 -7.326 -7.046 314 H SER 53 H SER 53 -5.102 -3.906 -5.397 315 HA SER 53 HA SER 53 -4.853 -1.710 -7.273 316 HB3 SER 53 HB3 SER 53 -7.039 -1.205 -5.594 317 HG SER 53 HG SER 53 -7.400 -3.040 -7.619 318 H ASN 54 H ASN 54 -4.480 -2.069 -3.731 319 HA ASN 54 HA ASN 54 -4.284 0.833 -3.322 320 HB3 ASN 54 HB3 ASN 54 -4.292 0.003 -0.929 321 HD21 ASN 54 HD22 ASN 54 -6.213 0.922 -0.183 322 HD22 ASN 54 HD21 ASN 54 -7.714 0.562 -0.983 323 H VAL 55 H VAL 55 -2.357 -2.160 -2.675 324 HA VAL 55 HA VAL 55 -0.054 -0.688 -1.745 325 HB VAL 55 HB VAL 55 -0.221 -3.529 -2.849 326 HG11 VAL 55 HG11 VAL 55 2.100 -2.639 -2.717 327 HG12 VAL 55 HG12 VAL 55 1.846 -2.221 -1.007 328 HG13 VAL 55 HG13 VAL 55 1.830 -3.920 -1.529 329 HG21 VAL 55 HG21 VAL 55 -0.290 -4.230 -0.445 330 HG22 VAL 55 HG22 VAL 55 -0.516 -2.538 0.013 331 HG23 VAL 55 HG23 VAL 55 -1.745 -3.367 -0.964 332 H ARG 56 H ARG 56 1.305 0.472 -2.982 333 HA ARG 56 HA ARG 56 1.730 -0.343 -5.805 334 HB3 ARG 56 HB3 ARG 56 2.001 2.514 -4.850 335 HG3 ARG 56 HG3 ARG 56 2.809 1.867 -7.181 336 HD3 ARG 56 HD3 ARG 56 0.808 1.937 -8.886 337 HE ARG 56 HE ARG 56 2.280 -0.028 -8.779 338 HH11 ARG 56 HH11 ARG 56 -1.157 -0.292 -7.819 339 HH12 ARG 56 HH12 ARG 56 -1.198 -1.984 -7.801 340 HH21 ARG 56 HH22 ARG 56 2.163 -2.377 -9.022 341 HH22 ARG 56 HH21 ARG 56 0.659 -3.166 -8.808 342 H VAL 57 H VAL 57 3.969 0.095 -6.555 343 HA VAL 57 HA VAL 57 5.930 0.809 -4.502 344 HB VAL 57 HB VAL 57 5.797 -1.465 -4.157 345 HG11 VAL 57 HG11 VAL 57 5.793 -1.981 -7.128 346 HG12 VAL 57 HG12 VAL 57 5.932 -3.237 -5.863 347 HG13 VAL 57 HG13 VAL 57 4.463 -2.288 -5.993 348 HG21 VAL 57 HG21 VAL 57 8.110 -0.604 -4.441 349 HG22 VAL 57 HG22 VAL 57 7.982 -2.325 -4.862 350 HG23 VAL 57 HG23 VAL 57 8.080 -1.121 -6.145 351 H ILE 58 H ILE 58 6.987 2.333 -5.331 352 HA ILE 58 HA ILE 58 7.112 2.814 -8.220 353 HB ILE 58 HB ILE 58 8.498 4.465 -6.087 354 HG13 ILE 58 HG13 ILE 58 6.475 5.829 -5.819 355 HG21 ILE 58 HG21 ILE 58 7.834 6.344 -7.648 356 HG22 ILE 58 HG22 ILE 58 8.988 5.203 -8.326 357 HG23 ILE 58 HG23 ILE 58 7.278 5.122 -8.804 358 HD11 ILE 58 HD11 ILE 58 4.986 3.559 -7.216 359 HD12 ILE 58 HD12 ILE 58 4.250 4.902 -6.322 360 HD13 ILE 58 HD13 ILE 58 5.156 5.222 -7.819 361 H LYS 59 H LYS 59 9.014 3.110 -9.445 362 HA LYS 59 HA LYS 59 11.413 1.647 -8.463 363 HB3 LYS 59 HB3 LYS 59 12.070 1.176 -10.777 364 HG3 LYS 59 HG3 LYS 59 9.132 0.419 -10.298 365 HD3 LYS 59 HD3 LYS 59 9.802 -1.508 -11.834 366 HE3 LYS 59 HE3 LYS 59 9.656 1.253 -13.070 367 HZ1 LYS 59 HZ1 LYS 59 8.941 -1.353 -14.266 368 HZ2 LYS 59 HZ2 LYS 59 10.303 -0.509 -14.626 369 HZ3 LYS 59 HZ3 LYS 59 8.875 0.124 -15.005 370 H ASP 60 H ASP 60 13.513 2.529 -9.461 371 HA ASP 60 HA ASP 60 13.434 5.462 -9.097 372 HB3 ASP 60 HB3 ASP 60 15.896 3.805 -9.630 373 H LYS 61 H LYS 61 15.059 6.674 -10.424 374 HA LYS 61 HA LYS 61 14.722 6.369 -13.359 375 HB3 LYS 61 HB3 LYS 61 15.686 8.546 -11.531 376 HG3 LYS 61 HG3 LYS 61 15.808 8.309 -14.570 377 HD3 LYS 61 HD3 LYS 61 16.227 10.989 -14.077 378 HE3 LYS 61 HE3 LYS 61 13.839 11.387 -14.855 379 HZ1 LYS 61 HZ1 LYS 61 14.227 10.662 -17.014 380 HZ2 LYS 61 HZ2 LYS 61 15.237 9.452 -16.595 381 HZ3 LYS 61 HZ3 LYS 61 15.724 11.011 -16.434 382 H GLN 62 H GLN 62 17.284 6.451 -10.746 383 HA GLN 62 HA GLN 62 19.423 6.027 -12.641 384 HB3 GLN 62 HB3 GLN 62 20.830 5.699 -10.815 385 HG3 GLN 62 HG3 GLN 62 18.800 7.517 -9.505 386 HE21 GLN 62 HE22 GLN 62 20.744 9.749 -9.776 387 HE22 GLN 62 HE21 GLN 62 21.961 9.340 -8.558 388 H THR 63 H THR 63 17.067 3.932 -11.238 389 HA THR 63 HA THR 63 18.478 1.539 -12.238 390 HB THR 63 HB THR 63 17.981 0.323 -10.327 391 HG1 THR 63 HG1 THR 63 16.442 1.344 -8.692 392 HG21 THR 63 HG21 THR 63 18.366 3.026 -8.996 393 HG22 THR 63 HG22 THR 63 19.675 2.034 -9.687 394 HG23 THR 63 HG23 THR 63 18.714 1.429 -8.328 395 H GLN 64 H GLN 64 16.674 -0.224 -12.172 396 HA GLN 64 HA GLN 64 14.109 0.778 -13.271 397 HB3 GLN 64 HB3 GLN 64 14.268 -1.185 -14.821 398 HG3 GLN 64 HG3 GLN 64 15.913 -0.379 -16.350 399 HE21 GLN 64 HE22 GLN 64 14.986 2.590 -14.622 400 HE22 GLN 64 HE21 GLN 64 13.520 2.892 -15.553 401 H LEU 65 H LEU 65 15.248 -0.086 -10.495 402 HA LEU 65 HA LEU 65 13.596 -2.429 -9.929 403 HB3 LEU 65 HB3 LEU 65 15.147 -2.706 -8.118 404 HG LEU 65 HG LEU 65 16.982 -3.375 -9.066 405 HD11 LEU 65 HD11 LEU 65 16.530 -4.708 -11.028 406 HD12 LEU 65 HD12 LEU 65 15.218 -3.602 -11.491 407 HD13 LEU 65 HD13 LEU 65 15.087 -4.612 -10.036 408 HD21 LEU 65 HD21 LEU 65 17.981 -1.588 -9.714 409 HD22 LEU 65 HD22 LEU 65 17.046 -1.544 -11.260 410 HD23 LEU 65 HD23 LEU 65 18.218 -2.851 -10.899 411 H ASN 66 H ASN 66 13.300 -2.310 -7.599 412 HA ASN 66 HA ASN 66 11.330 -0.194 -7.064 413 HB3 ASN 66 HB3 ASN 66 11.039 -1.298 -4.906 414 HD21 ASN 66 HD22 ASN 66 11.600 -4.221 -4.822 415 HD22 ASN 66 HD21 ASN 66 10.540 -4.957 -5.949 416 H ARG 67 H ARG 67 11.458 1.531 -5.588 417 HA ARG 67 HA ARG 67 14.146 2.491 -4.949 418 HB3 ARG 67 HB3 ARG 67 12.628 4.422 -3.921 419 HG3 ARG 67 HG3 ARG 67 12.629 3.877 -6.883 420 HD3 ARG 67 HD3 ARG 67 12.136 6.246 -5.092 421 HE ARG 67 HE ARG 67 14.013 6.471 -7.324 422 HH11 ARG 67 HH11 ARG 67 11.985 8.286 -5.007 423 HH12 ARG 67 HH12 ARG 67 12.626 9.797 -5.511 424 HH21 ARG 67 HH22 ARG 67 14.939 8.348 -7.764 425 HH22 ARG 67 HH21 ARG 67 14.396 9.851 -7.031 426 H GLY 68 H GLY 68 12.875 0.101 -3.195 427 HA2 GLY 68 HA2 GLY 68 13.511 -0.514 -1.062 428 HA3 GLY 68 HA3 GLY 68 14.205 1.078 -0.813 429 H PHE 69 H PHE 69 10.921 1.279 -1.923 430 HA PHE 69 HA PHE 69 9.742 1.129 0.722 431 HB3 PHE 69 HB3 PHE 69 10.768 3.506 0.350 432 HD1 PHE 69 HD2 PHE 69 11.172 4.185 -2.022 433 HD2 PHE 69 HD1 PHE 69 7.234 4.130 -0.328 434 HE1 PHE 69 HE2 PHE 69 10.340 5.639 -3.888 435 HE2 PHE 69 HE1 PHE 69 6.410 5.563 -2.153 436 HZ PHE 69 HZ PHE 69 7.962 6.332 -3.944 437 H ALA 70 H ALA 70 7.344 1.728 0.503 438 HA ALA 70 HA ALA 70 6.150 1.430 -2.150 439 HB1 ALA 70 HB1 ALA 70 5.689 -0.667 0.028 440 HB2 ALA 70 HB2 ALA 70 4.701 -0.503 -1.431 441 HB3 ALA 70 HB3 ALA 70 6.426 -0.914 -1.576 442 H PHE 71 H PHE 71 3.688 1.597 -1.915 443 HA PHE 71 HA PHE 71 3.010 3.634 0.129 444 HB3 PHE 71 HB3 PHE 71 1.674 4.258 -2.274 445 HD1 PHE 71 HD2 PHE 71 2.269 5.687 0.343 446 HD2 PHE 71 HD1 PHE 71 4.221 5.828 -3.512 447 HE1 PHE 71 HE2 PHE 71 3.118 7.961 0.831 448 HE2 PHE 71 HE1 PHE 71 5.074 8.096 -2.976 449 HZ PHE 71 HZ PHE 71 4.518 9.157 -0.812 450 H ILE 72 H ILE 72 0.772 3.651 0.797 451 HA ILE 72 HA ILE 72 -1.097 1.803 -0.532 452 HB ILE 72 HB ILE 72 -0.518 1.794 2.455 453 HG13 ILE 72 HG13 ILE 72 1.162 0.493 1.343 454 HG21 ILE 72 HG21 ILE 72 -2.315 0.110 2.643 455 HG22 ILE 72 HG22 ILE 72 -2.957 1.577 1.973 456 HG23 ILE 72 HG23 ILE 72 -2.615 0.206 0.891 457 HD11 ILE 72 HD11 ILE 72 -0.894 -1.555 2.204 458 HD12 ILE 72 HD12 ILE 72 0.854 -1.705 2.192 459 HD13 ILE 72 HD13 ILE 72 0.090 -0.588 3.342 460 H GLN 73 H GLN 73 -2.924 2.863 -0.906 461 HA GLN 73 HA GLN 73 -3.719 5.361 0.447 462 HB3 GLN 73 HB3 GLN 73 -5.800 4.904 -1.021 463 HG3 GLN 73 HG3 GLN 73 -3.253 5.248 -2.619 464 HE21 GLN 73 HE22 GLN 73 -4.651 4.396 -4.490 465 HE22 GLN 73 HE21 GLN 73 -6.061 5.294 -4.964 466 H LEU 74 H LEU 74 -5.310 5.470 2.048 467 HA LEU 74 HA LEU 74 -6.693 3.079 2.989 468 HB3 LEU 74 HB3 LEU 74 -5.106 4.441 5.104 469 HG LEU 74 HG LEU 74 -6.569 2.128 4.997 470 HD11 LEU 74 HD11 LEU 74 -5.134 0.167 4.802 471 HD12 LEU 74 HD12 LEU 74 -3.703 1.178 4.542 472 HD13 LEU 74 HD13 LEU 74 -4.966 1.102 3.306 473 HD21 LEU 74 HD21 LEU 74 -5.633 3.134 6.995 474 HD22 LEU 74 HD22 LEU 74 -4.024 2.454 6.622 475 HD23 LEU 74 HD23 LEU 74 -5.389 1.381 6.988 476 H SER 75 H SER 75 -7.161 4.463 5.699 477 HA SER 75 HA SER 75 -8.185 7.025 5.034 478 HB3 SER 75 HB3 SER 75 -10.170 5.059 6.202 479 HG SER 75 HG SER 75 -11.351 7.160 5.123 480 H THR 76 H THR 76 -8.800 8.187 6.985 481 HA THR 76 HA THR 76 -6.507 8.519 8.192 482 HB THR 76 HB THR 76 -7.503 10.008 9.884 483 HG1 THR 76 HG1 THR 76 -10.066 9.467 8.824 484 HG21 THR 76 HG21 THR 76 -8.567 11.580 8.319 485 HG22 THR 76 HG22 THR 76 -8.673 10.292 7.101 486 HG23 THR 76 HG23 THR 76 -7.098 10.864 7.646 487 H ILE 77 H ILE 77 -9.093 7.255 10.362 488 HA ILE 77 HA ILE 77 -7.280 6.842 12.499 489 HB ILE 77 HB ILE 77 -9.949 5.460 11.958 490 HG13 ILE 77 HG13 ILE 77 -10.135 7.906 11.966 491 HG21 ILE 77 HG21 ILE 77 -8.337 5.734 14.538 492 HG22 ILE 77 HG22 ILE 77 -9.985 5.073 14.418 493 HG23 ILE 77 HG23 ILE 77 -8.671 4.241 13.632 494 HD11 ILE 77 HD11 ILE 77 -11.131 6.978 14.661 495 HD12 ILE 77 HD12 ILE 77 -11.732 8.313 13.671 496 HD13 ILE 77 HD13 ILE 77 -11.944 6.635 13.123 497 H GLU 78 H GLU 78 -8.165 4.789 9.753 498 HA GLU 78 HA GLU 78 -7.153 2.324 10.894 499 HB3 GLU 78 HB3 GLU 78 -7.386 1.498 8.556 500 HG3 GLU 78 HG3 GLU 78 -9.855 2.293 8.177 501 H ALA 79 H ALA 79 -5.808 5.073 9.098 502 HA ALA 79 HA ALA 79 -3.327 3.771 8.398 503 HB1 ALA 79 HB1 ALA 79 -4.014 6.736 8.241 504 HB2 ALA 79 HB2 ALA 79 -2.880 5.815 7.238 505 HB3 ALA 79 HB3 ALA 79 -4.607 5.573 7.043 506 H ALA 80 H ALA 80 -4.526 4.946 11.276 507 HA ALA 80 HA ALA 80 -1.829 5.696 12.237 508 HB1 ALA 80 HB1 ALA 80 -3.422 7.448 12.718 509 HB2 ALA 80 HB2 ALA 80 -4.560 6.287 13.456 510 HB3 ALA 80 HB3 ALA 80 -3.002 6.640 14.235 511 H GLN 81 H GLN 81 -4.746 3.730 12.984 512 HA GLN 81 HA GLN 81 -3.528 2.486 15.265 513 HB3 GLN 81 HB3 GLN 81 -5.969 3.036 14.832 514 HG3 GLN 81 HG3 GLN 81 -6.091 0.221 13.763 515 HE21 GLN 81 HE22 GLN 81 -8.246 0.896 11.950 516 HE22 GLN 81 HE21 GLN 81 -9.562 1.720 12.789 517 H LEU 82 H LEU 82 -3.944 1.452 11.822 518 HA LEU 82 HA LEU 82 -3.439 -1.268 12.346 519 HB3 LEU 82 HB3 LEU 82 -2.353 -0.999 9.821 520 HG LEU 82 HG LEU 82 -5.201 -1.194 10.796 521 HD11 LEU 82 HD11 LEU 82 -5.853 -1.840 8.470 522 HD12 LEU 82 HD12 LEU 82 -4.268 -1.259 7.899 523 HD13 LEU 82 HD13 LEU 82 -5.422 -0.132 8.654 524 HD21 LEU 82 HD21 LEU 82 -3.552 -3.246 9.281 525 HD22 LEU 82 HD22 LEU 82 -4.990 -3.492 10.292 526 HD23 LEU 82 HD23 LEU 82 -3.441 -3.093 11.040 527 H LEU 83 H LEU 83 -1.161 1.380 11.863 528 HA LEU 83 HA LEU 83 1.199 -0.007 11.475 529 HB3 LEU 83 HB3 LEU 83 0.776 2.430 13.261 530 HG LEU 83 HG LEU 83 3.135 1.503 13.293 531 HD11 LEU 83 HD11 LEU 83 3.013 2.169 10.312 532 HD12 LEU 83 HD12 LEU 83 3.246 0.554 11.019 533 HD13 LEU 83 HD13 LEU 83 4.494 1.792 11.228 534 HD21 LEU 83 HD21 LEU 83 2.690 4.171 11.885 535 HD22 LEU 83 HD22 LEU 83 4.195 3.654 12.691 536 HD23 LEU 83 HD23 LEU 83 2.716 3.874 13.646 537 H GLN 84 H GLN 84 -0.600 0.381 14.533 538 HA GLN 84 HA GLN 84 1.615 -0.604 16.191 539 HB3 GLN 84 HB3 GLN 84 -0.215 -0.354 17.975 540 HG3 GLN 84 HG3 GLN 84 0.843 1.876 16.219 541 HE21 GLN 84 HE22 GLN 84 -1.189 3.043 15.744 542 HE22 GLN 84 HE21 GLN 84 -1.798 4.050 17.036 543 H ILE 85 H ILE 85 -0.941 -1.990 14.346 544 HA ILE 85 HA ILE 85 -0.971 -4.563 15.760 545 HB ILE 85 HB ILE 85 -2.127 -3.820 13.052 546 HG13 ILE 85 HG13 ILE 85 -3.116 -2.351 14.765 547 HG21 ILE 85 HG21 ILE 85 -3.494 -5.820 13.338 548 HG22 ILE 85 HG22 ILE 85 -1.794 -6.250 13.455 549 HG23 ILE 85 HG23 ILE 85 -2.771 -6.103 14.939 550 HD11 ILE 85 HD11 ILE 85 -5.147 -4.517 14.312 551 HD12 ILE 85 HD12 ILE 85 -5.382 -2.765 14.472 552 HD13 ILE 85 HD13 ILE 85 -4.619 -3.417 13.012 553 H LEU 86 H LEU 86 0.373 -2.975 12.841 554 HA LEU 86 HA LEU 86 1.499 -5.352 11.748 555 HB3 LEU 86 HB3 LEU 86 2.629 -4.013 10.169 556 HG LEU 86 HG LEU 86 0.374 -2.092 10.494 557 HD11 LEU 86 HD11 LEU 86 1.869 -1.885 8.634 558 HD12 LEU 86 HD12 LEU 86 0.239 -2.336 8.090 559 HD13 LEU 86 HD13 LEU 86 1.542 -3.559 8.134 560 HD21 LEU 86 HD21 LEU 86 -1.132 -3.836 9.290 561 HD22 LEU 86 HD22 LEU 86 -0.966 -3.948 11.034 562 HD23 LEU 86 HD23 LEU 86 -0.047 -5.050 10.026 563 H GLN 87 H GLN 87 2.809 -3.007 14.039 564 HA GLN 87 HA GLN 87 5.563 -3.709 13.884 565 HB3 GLN 87 HB3 GLN 87 5.600 -2.817 16.274 566 HG3 GLN 87 HG3 GLN 87 4.351 -0.580 15.526 567 HE21 GLN 87 HE22 GLN 87 5.594 1.046 14.171 568 HE22 GLN 87 HE21 GLN 87 7.344 0.864 14.021 569 H ALA 88 H ALA 88 3.001 -5.799 14.699 570 HA ALA 88 HA ALA 88 4.576 -7.359 16.668 571 HB1 ALA 88 HB1 ALA 88 2.465 -8.218 17.415 572 HB2 ALA 88 HB2 ALA 88 2.384 -6.440 17.414 573 HB3 ALA 88 HB3 ALA 88 1.589 -7.380 16.127 574 H LEU 89 H LEU 89 4.172 -7.404 13.350 575 HA LEU 89 HA LEU 89 4.238 -10.370 13.300 576 HB3 LEU 89 HB3 LEU 89 1.982 -9.607 12.657 577 HG LEU 89 HG LEU 89 2.950 -7.484 11.271 578 HD11 LEU 89 HD11 LEU 89 2.769 -9.668 9.189 579 HD12 LEU 89 HD12 LEU 89 4.190 -8.675 9.578 580 HD13 LEU 89 HD13 LEU 89 2.775 -7.927 8.852 581 HD21 LEU 89 HD21 LEU 89 0.805 -7.342 10.154 582 HD22 LEU 89 HD22 LEU 89 0.569 -7.999 11.776 583 HD23 LEU 89 HD23 LEU 89 0.544 -9.086 10.370 584 H HIS 90 H HIS 90 5.327 -11.184 11.379 585 HA HIS 90 HA HIS 90 7.110 -9.228 10.038 586 HB3 HIS 90 HB3 HIS 90 8.493 -10.319 11.651 587 HD1 HIS 90 HD1 HIS 90 6.127 -13.066 10.595 588 HD2 HIS 90 HD2 HIS 90 9.886 -12.561 12.442 589 HE1 HIS 90 HE1 HIS 90 6.689 -15.285 11.685 590 HA PRO 91 HA PRO 91 5.202 -10.914 6.577 591 HB3 PRO 91 HB3 PRO 91 6.131 -9.138 5.426 592 HG3 PRO 91 HG3 PRO 91 8.441 -8.562 5.670 593 HD3 PRO 91 HD3 PRO 91 7.460 -8.527 7.823 594 HA PRO 92 HA PRO 92 6.525 -15.061 5.609 595 HB3 PRO 92 HB3 PRO 92 4.338 -15.392 4.920 596 HG3 PRO 92 HG3 PRO 92 3.183 -13.779 3.608 597 HD3 PRO 92 HD3 PRO 92 3.931 -12.489 5.412 598 H LEU 93 H LEU 93 6.865 -12.558 3.149 599 HA LEU 93 HA LEU 93 8.966 -13.984 1.654 600 HB3 LEU 93 HB3 LEU 93 9.111 -11.441 0.740 601 HG LEU 93 HG LEU 93 7.812 -13.835 -0.160 602 HD11 LEU 93 HD11 LEU 93 5.702 -12.565 0.200 603 HD12 LEU 93 HD12 LEU 93 5.996 -13.125 -1.458 604 HD13 LEU 93 HD13 LEU 93 6.297 -11.432 -1.053 605 HD21 LEU 93 HD21 LEU 93 8.406 -13.006 -2.381 606 HD22 LEU 93 HD22 LEU 93 9.745 -12.820 -1.240 607 HD23 LEU 93 HD23 LEU 93 8.763 -11.407 -1.691 608 H THR 94 H THR 94 10.989 -13.879 2.190 609 HA THR 94 HA THR 94 12.067 -11.544 3.642 610 HB THR 94 HB THR 94 12.882 -14.349 4.207 611 HG1 THR 94 HG1 THR 94 11.410 -14.586 5.650 612 HG21 THR 94 HG21 THR 94 13.270 -11.673 5.594 613 HG22 THR 94 HG22 THR 94 14.490 -12.705 4.825 614 HG23 THR 94 HG23 THR 94 13.714 -13.218 6.347 615 H ILE 95 H ILE 95 12.343 -11.179 1.397 616 HA ILE 95 HA ILE 95 14.103 -12.778 -0.281 617 HB ILE 95 HB ILE 95 12.347 -11.210 -1.197 618 HG13 ILE 95 HG13 ILE 95 15.163 -10.732 -2.240 619 HG21 ILE 95 HG21 ILE 95 12.752 -8.859 -1.421 620 HG22 ILE 95 HG22 ILE 95 12.893 -9.241 0.301 621 HG23 ILE 95 HG23 ILE 95 14.356 -8.983 -0.670 622 HD11 ILE 95 HD11 ILE 95 14.637 -13.128 -2.368 623 HD12 ILE 95 HD12 ILE 95 13.060 -12.742 -3.118 624 HD13 ILE 95 HD13 ILE 95 14.574 -12.385 -3.973 625 H ASP 96 H ASP 96 16.340 -12.644 -0.453 626 HA ASP 96 HA ASP 96 18.470 -12.271 0.245 627 HB3 ASP 96 HB3 ASP 96 19.218 -9.936 0.292 628 H GLY 97 H GLY 97 16.366 -12.667 2.477 629 HA2 GLY 97 HA2 GLY 97 16.678 -13.024 4.756 630 HA3 GLY 97 HA3 GLY 97 18.190 -12.113 4.705 631 H LYS 98 H LYS 98 15.593 -10.297 3.246 632 HA LYS 98 HA LYS 98 15.676 -8.511 5.628 633 HB3 LYS 98 HB3 LYS 98 16.824 -7.805 3.699 634 HG3 LYS 98 HG3 LYS 98 14.383 -8.215 2.220 635 HD3 LYS 98 HD3 LYS 98 13.961 -6.031 3.483 636 HE3 LYS 98 HE3 LYS 98 14.844 -3.998 2.406 637 HZ1 LYS 98 HZ1 LYS 98 17.208 -5.697 2.775 638 HZ2 LYS 98 HZ2 LYS 98 16.541 -4.702 3.917 639 HZ3 LYS 98 HZ3 LYS 98 17.227 -4.122 2.574 640 H THR 99 H THR 99 14.057 -7.711 6.676 641 HA THR 99 HA THR 99 11.361 -8.732 5.978 642 HB THR 99 HB THR 99 10.959 -8.425 8.454 643 HG1 THR 99 HG1 THR 99 13.537 -8.861 9.116 644 HG21 THR 99 HG21 THR 99 11.280 -10.616 7.335 645 HG22 THR 99 HG22 THR 99 11.839 -10.580 9.012 646 HG23 THR 99 HG23 THR 99 13.025 -10.513 7.688 647 H ILE 100 H ILE 100 9.795 -7.348 5.700 648 HA ILE 100 HA ILE 100 10.464 -4.729 4.924 649 HB ILE 100 HB ILE 100 7.831 -6.158 5.418 650 HG13 ILE 100 HG13 ILE 100 8.200 -5.811 2.636 651 HG21 ILE 100 HG21 ILE 100 7.201 -3.923 5.510 652 HG22 ILE 100 HG22 ILE 100 8.281 -3.431 4.208 653 HG23 ILE 100 HG23 ILE 100 6.826 -4.421 3.867 654 HD11 ILE 100 HD11 ILE 100 10.507 -7.531 3.614 655 HD12 ILE 100 HD12 ILE 100 10.102 -7.038 1.973 656 HD13 ILE 100 HD13 ILE 100 10.811 -5.879 3.099 657 H ASN 101 H ASN 101 10.036 -2.726 5.819 658 HA ASN 101 HA ASN 101 9.635 -2.726 8.789 659 HB3 ASN 101 HB3 ASN 101 10.337 -0.266 8.421 660 HD21 ASN 101 HD22 ASN 101 12.575 0.340 8.806 661 HD22 ASN 101 HD21 ASN 101 13.649 -0.963 9.285 662 H VAL 102 H VAL 102 8.089 -1.226 9.698 663 HA VAL 102 HA VAL 102 5.868 -0.599 7.887 664 HB VAL 102 HB VAL 102 4.627 -0.846 9.895 665 HG11 VAL 102 HG11 VAL 102 6.353 -3.278 9.457 666 HG12 VAL 102 HG12 VAL 102 4.786 -3.275 10.243 667 HG13 VAL 102 HG13 VAL 102 4.903 -2.833 8.524 668 HG21 VAL 102 HG21 VAL 102 5.501 -1.818 11.984 669 HG22 VAL 102 HG22 VAL 102 7.139 -1.508 11.401 670 HG23 VAL 102 HG23 VAL 102 6.023 -0.154 11.661 671 H GLU 103 H GLU 103 4.955 1.529 8.007 672 HA GLU 103 HA GLU 103 5.823 3.505 9.845 673 HB3 GLU 103 HB3 GLU 103 6.918 3.700 7.002 674 HG3 GLU 103 HG3 GLU 103 6.796 5.592 9.304 675 H PHE 104 H PHE 104 5.020 5.811 8.483 676 HA PHE 104 HA PHE 104 2.621 5.321 7.027 677 HB3 PHE 104 HB3 PHE 104 2.050 4.979 9.474 678 HD1 PHE 104 HD1 PHE 104 4.485 6.596 10.251 679 HD2 PHE 104 HD2 PHE 104 0.298 7.593 10.163 680 HE1 PHE 104 HE1 PHE 104 4.913 8.448 11.806 681 HE2 PHE 104 HE2 PHE 104 0.729 9.477 11.740 682 HZ PHE 104 HZ PHE 104 3.048 9.943 12.488 683 H ALA 105 H ALA 105 1.696 7.517 6.306 684 HA ALA 105 HA ALA 105 3.816 9.614 6.172 685 HB1 ALA 105 HB1 ALA 105 2.419 8.255 3.828 686 HB2 ALA 105 HB2 ALA 105 3.563 9.597 3.711 687 HB3 ALA 105 HB3 ALA 105 4.117 8.036 4.310 688 H LYS 106 H LYS 106 1.074 9.562 7.470 689 HA LYS 106 HA LYS 106 -0.658 11.163 5.830 690 HB3 LYS 106 HB3 LYS 106 -1.452 9.631 7.543 691 HG3 LYS 106 HG3 LYS 106 0.450 10.738 9.277 692 HD3 LYS 106 HD3 LYS 106 -1.372 12.613 9.436 693 HE3 LYS 106 HE3 LYS 106 -3.206 10.878 9.754 694 HZ1 LYS 106 HZ1 LYS 106 -2.039 9.530 11.463 695 HZ2 LYS 106 HZ2 LYS 106 -3.525 10.060 11.907 696 HZ3 LYS 106 HZ3 LYS 106 -2.207 10.795 12.531 697 H GLY 107 H GLY 107 -1.608 13.287 6.435 698 HA2 GLY 107 HA2 GLY 107 -0.143 14.980 8.317 699 HA3 GLY 107 HA3 GLY 107 -0.298 15.569 6.648 700 H SER 108 H SER 108 -1.490 16.803 9.007 701 HA SER 108 HA SER 108 -4.212 17.230 8.198 702 HB3 SER 108 HB3 SER 108 -3.659 15.706 10.772 703 HG SER 108 HG SER 108 -5.686 15.848 11.241 704 H LYS 109 H LYS 109 -5.118 19.041 9.509 705 HA LYS 109 HA LYS 109 -3.371 20.289 11.544 706 HB3 LYS 109 HB3 LYS 109 -3.918 21.713 8.935 707 HG3 LYS 109 HG3 LYS 109 -1.454 22.554 9.915 708 HD3 LYS 109 HD3 LYS 109 -2.300 24.700 10.402 709 HE3 LYS 109 HE3 LYS 109 -4.230 23.609 8.321 710 HZ1 LYS 109 HZ1 LYS 109 -4.111 26.078 9.038 711 HZ2 LYS 109 HZ2 LYS 109 -4.216 25.667 7.438 712 HZ3 LYS 109 HZ3 LYS 109 -2.769 26.114 8.112 713 H ARG 110 H ARG 110 -5.703 19.467 12.315 714 HA ARG 110 HA ARG 110 -7.919 21.241 11.857 715 HB3 ARG 110 HB3 ARG 110 -7.361 19.593 14.360 716 HG3 ARG 110 HG3 ARG 110 -10.006 20.327 13.048 717 HD3 ARG 110 HD3 ARG 110 -11.073 19.444 14.973 718 HE ARG 110 HE ARG 110 -8.841 17.661 14.124 719 HH11 ARG 110 HH11 ARG 110 -12.109 17.731 15.559 720 HH12 ARG 110 HH12 ARG 110 -12.378 16.048 15.254 721 HH21 ARG 110 HH22 ARG 110 -9.236 15.625 13.634 722 HH22 ARG 110 HH21 ARG 110 -10.734 14.819 13.965 723 H ASP 111 H ASP 111 -8.334 23.256 12.676 724 HA ASP 111 HA ASP 111 -7.020 24.483 14.950 725 HB3 ASP 111 HB3 ASP 111 -6.284 25.055 12.047 726 H MET 112 H MET 112 -8.338 26.432 15.455 727 HA MET 112 HA MET 112 -10.631 27.064 13.719 728 HB3 MET 112 HB3 MET 112 -12.131 26.944 15.762 729 HG3 MET 112 HG3 MET 112 -11.958 24.368 16.163 730 HE1 MET 112 HE1 MET 112 -11.894 24.739 12.266 731 HE2 MET 112 HE2 MET 112 -13.542 25.312 11.919 732 HE3 MET 112 HE3 MET 112 -12.380 26.403 12.687 733 H ALA 113 H ALA 113 -11.620 29.132 14.373 734 HA ALA 113 HA ALA 113 -10.500 30.627 16.585 735 HB1 ALA 113 HB1 ALA 113 -9.827 32.582 15.261 736 HB2 ALA 113 HB2 ALA 113 -8.873 31.168 14.764 737 HB3 ALA 113 HB3 ALA 113 -10.218 31.729 13.751 738 H SER 114 H SER 114 -12.008 32.229 17.279 739 HA SER 114 HA SER 114 -13.928 33.376 15.503 740 HB3 SER 114 HB3 SER 114 -15.066 31.983 17.955 741 HG SER 114 HG SER 114 -16.962 32.206 16.672 742 H ASN 115 H ASN 115 -15.423 34.793 17.206 743 HA ASN 115 HA ASN 115 -13.978 35.819 19.509 744 HB3 ASN 115 HB3 ASN 115 -14.267 38.231 18.619 745 HD21 ASN 115 HD22 ASN 115 -12.330 36.696 16.107 746 HD22 ASN 115 HD21 ASN 115 -10.801 36.964 16.927 747 H GLU 116 H GLU 116 -15.701 36.016 20.963 748 HA GLU 116 HA GLU 116 -18.408 36.014 19.996 749 HB3 GLU 116 HB3 GLU 116 -18.936 36.096 22.447 750 HG3 GLU 116 HG3 GLU 116 -17.462 34.023 21.070 751 H GLY 117 H GLY 117 -16.287 38.618 21.054 752 HA2 GLY 117 HA2 GLY 117 -18.411 40.370 21.933 753 HA3 GLY 117 HA3 GLY 117 -16.694 40.756 21.828 754 H SER 118 H SER 118 -19.747 40.641 20.022 755 HA SER 118 HA SER 118 -18.519 41.752 17.631 756 HB3 SER 118 HB3 SER 118 -19.972 39.926 17.336 757 HG SER 118 HG SER 118 -21.456 39.647 18.762 758 H ARG 119 H ARG 119 -21.774 42.798 18.831 759 HA ARG 119 HA ARG 119 -20.854 45.458 19.287 760 HB3 ARG 119 HB3 ARG 119 -22.698 45.229 16.858 761 HG3 ARG 119 HG3 ARG 119 -22.777 47.451 17.835 762 HD3 ARG 119 HD3 ARG 119 -20.954 47.725 19.285 763 HE ARG 119 HE ARG 119 -19.523 46.080 17.730 764 HH11 ARG 119 HH11 ARG 119 -18.624 49.320 18.812 765 HH12 ARG 119 HH12 ARG 119 -16.986 48.887 19.159 766 HH21 ARG 119 HH22 ARG 119 -17.549 45.456 18.273 767 HH22 ARG 119 HH21 ARG 119 -16.303 46.550 18.769 768 H ILE 120 H ILE 120 -21.770 45.515 21.105 769 HA ILE 120 HA ILE 120 -24.675 46.013 21.141 770 HB ILE 120 HB ILE 120 -24.614 45.376 23.592 771 HG13 ILE 120 HG13 ILE 120 -22.066 45.423 23.740 772 HG21 ILE 120 HG21 ILE 120 -24.097 43.141 21.586 773 HG22 ILE 120 HG22 ILE 120 -25.002 43.015 23.111 774 HG23 ILE 120 HG23 ILE 120 -25.626 44.015 21.795 775 HD11 ILE 120 HD11 ILE 120 -21.861 43.610 25.331 776 HD12 ILE 120 HD12 ILE 120 -23.480 44.316 25.520 777 HD13 ILE 120 HD13 ILE 120 -23.273 42.774 24.659 778 H SER 121 H SER 121 -24.880 47.455 23.437 779 HA SER 121 HA SER 121 -22.838 49.568 23.362 780 HB3 SER 121 HB3 SER 121 -25.834 50.010 22.965 781 HG SER 121 HG SER 121 -25.069 51.833 23.837 782 H ALA 122 H ALA 122 -22.252 49.554 25.429 783 HA ALA 122 HA ALA 122 -22.113 49.052 27.593 784 HB1 ALA 122 HB1 ALA 122 -25.008 49.950 27.844 785 HB2 ALA 122 HB2 ALA 122 -23.822 49.809 29.156 786 HB3 ALA 122 HB3 ALA 122 -23.593 51.022 27.891 787 H ALA 123 H ALA 123 -23.854 47.800 29.410 788 HA ALA 123 HA ALA 123 -24.089 45.094 28.191 789 HB1 ALA 123 HB1 ALA 123 -24.039 44.286 30.504 790 HB2 ALA 123 HB2 ALA 123 -22.622 45.298 30.168 791 HB3 ALA 123 HB3 ALA 123 -23.985 45.952 31.115 792 H SER 124 H SER 124 -26.081 47.774 29.021 793 HA SER 124 HA SER 124 -28.434 46.301 28.454 794 HB3 SER 124 HB3 SER 124 -28.219 47.613 31.210 795 HG SER 124 HG SER 124 -30.275 46.483 31.414 796 H VAL 125 H VAL 125 -30.165 47.929 28.009 797 HA VAL 125 HA VAL 125 -29.565 50.730 28.182 798 HB VAL 125 HB VAL 125 -28.150 50.221 26.290 799 HG11 VAL 125 HG11 VAL 125 -28.935 49.252 24.179 800 HG12 VAL 125 HG12 VAL 125 -29.070 48.088 25.498 801 HG13 VAL 125 HG13 VAL 125 -30.523 48.916 24.901 802 HG21 VAL 125 HG21 VAL 125 -29.054 51.680 24.596 803 HG22 VAL 125 HG22 VAL 125 -30.698 51.471 25.227 804 HG23 VAL 125 HG23 VAL 125 -29.466 52.312 26.200 805 H ALA 126 H ALA 126 -31.530 51.860 28.117 806 HA ALA 126 HA ALA 126 -33.912 50.660 26.935 807 HB1 ALA 126 HB1 ALA 126 -34.029 49.799 29.242 808 HB2 ALA 126 HB2 ALA 126 -33.756 51.432 29.890 809 HB3 ALA 126 HB3 ALA 126 -35.245 51.069 28.996 810 H SER 127 H SER 127 -34.007 52.359 25.465 811 HA SER 127 HA SER 127 -34.080 55.145 26.496 812 HB3 SER 127 HB3 SER 127 -31.783 54.728 26.090 813 HG SER 127 HG SER 127 -31.131 53.877 24.011 814 H THR 128 H THR 128 -36.044 53.110 24.889 815 HA THR 128 HA THR 128 -36.976 55.216 23.121 816 HB THR 128 HB THR 128 -35.355 53.946 21.738 817 HG1 THR 128 HG1 THR 128 -36.792 53.651 20.045 818 HG21 THR 128 HG21 THR 128 -35.578 51.681 22.743 819 HG22 THR 128 HG22 THR 128 -35.832 51.662 20.992 820 HG23 THR 128 HG23 THR 128 -37.224 51.557 22.088 821 H ALA 129 H ALA 129 -39.140 54.730 22.359 822 HA ALA 129 HA ALA 129 -40.678 52.528 23.314 823 HB1 ALA 129 HB1 ALA 129 -41.216 55.280 24.540 824 HB2 ALA 129 HB2 ALA 129 -42.328 53.899 24.603 825 HB3 ALA 129 HB3 ALA 129 -40.751 53.805 25.419 826 H ILE 130 H ILE 130 -41.062 52.319 21.031 827 HA ILE 130 HA ILE 130 -42.977 54.113 19.886 828 HB ILE 130 HB ILE 130 -40.827 55.260 19.400 829 HG13 ILE 130 HG13 ILE 130 -42.843 55.271 17.833 830 HG21 ILE 130 HG21 ILE 130 -40.062 52.817 17.751 831 HG22 ILE 130 HG22 ILE 130 -39.136 54.320 17.925 832 HG23 ILE 130 HG23 ILE 130 -39.343 53.250 19.314 833 HD11 ILE 130 HD11 ILE 130 -41.726 56.510 16.079 834 HD12 ILE 130 HD12 ILE 130 -41.004 56.939 17.643 835 HD13 ILE 130 HD13 ILE 130 -40.149 55.840 16.530 836 H ALA 131 H ALA 131 -43.622 53.069 17.629 837 HA ALA 131 HA ALA 131 -42.820 50.411 17.112 838 HB1 ALA 131 HB1 ALA 131 -44.743 49.951 18.638 839 HB2 ALA 131 HB2 ALA 131 -45.745 51.091 17.692 840 HB3 ALA 131 HB3 ALA 131 -45.155 49.596 16.941 Start of MODEL 9 1 H1 GLN 1 H1 GLN 1 49.257 26.335 24.383 2 HA GLN 1 HA GLN 1 49.779 25.198 22.225 3 HB3 GLN 1 HB3 GLN 1 47.349 24.077 23.685 4 HG3 GLN 1 HG3 GLN 1 49.635 22.655 22.240 5 HE21 GLN 1 HE22 GLN 1 49.318 20.142 22.249 6 HE22 GLN 1 HE21 GLN 1 48.592 19.525 23.719 7 H ALA 2 H ALA 2 48.738 24.312 20.179 8 HA ALA 2 HA ALA 2 47.621 24.678 18.275 9 HB1 ALA 2 HB1 ALA 2 45.253 24.176 18.428 10 HB2 ALA 2 HB2 ALA 2 46.167 23.151 19.548 11 HB3 ALA 2 HB3 ALA 2 45.245 24.552 20.159 12 H GLN 3 H GLN 3 48.627 27.104 19.081 13 HA GLN 3 HA GLN 3 46.689 29.216 18.530 14 HB3 GLN 3 HB3 GLN 3 48.722 29.731 19.758 15 HG3 GLN 3 HG3 GLN 3 50.388 29.334 17.252 16 HE21 GLN 3 HE22 GLN 3 52.520 29.984 17.567 17 HE22 GLN 3 HE21 GLN 3 53.185 30.351 19.155 18 H GLY 4 H GLY 4 46.335 30.098 16.397 19 HA2 GLY 4 HA2 GLY 4 47.367 29.557 13.952 20 HA3 GLY 4 HA3 GLY 4 46.433 28.092 14.346 21 H VAL 5 H VAL 5 44.426 28.299 13.353 22 HA VAL 5 HA VAL 5 42.921 30.801 13.776 23 HB VAL 5 HB VAL 5 43.606 30.697 11.454 24 HG11 VAL 5 HG11 VAL 5 43.964 28.289 11.117 25 HG12 VAL 5 HG12 VAL 5 42.218 27.991 11.259 26 HG13 VAL 5 HG13 VAL 5 42.860 28.940 9.904 27 HG21 VAL 5 HG21 VAL 5 41.379 31.611 12.023 28 HG22 VAL 5 HG22 VAL 5 41.446 30.927 10.393 29 HG23 VAL 5 HG23 VAL 5 40.650 30.018 11.688 30 H LEU 6 H LEU 6 40.813 30.452 14.463 31 HA LEU 6 HA LEU 6 40.096 27.703 15.357 32 HB3 LEU 6 HB3 LEU 6 39.718 28.721 17.640 33 HG LEU 6 HG LEU 6 42.595 28.899 16.655 34 HD11 LEU 6 HD11 LEU 6 43.224 28.819 19.020 35 HD12 LEU 6 HD12 LEU 6 41.513 28.914 19.493 36 HD13 LEU 6 HD13 LEU 6 42.287 30.277 18.651 37 HD21 LEU 6 HD21 LEU 6 41.111 26.715 18.189 38 HD22 LEU 6 HD22 LEU 6 42.850 26.728 17.822 39 HD23 LEU 6 HD23 LEU 6 41.681 26.610 16.507 40 H ALA 7 H ALA 7 38.925 29.580 13.272 41 HA ALA 7 HA ALA 7 36.354 30.260 14.582 42 HB1 ALA 7 HB1 ALA 7 36.175 32.133 13.007 43 HB2 ALA 7 HB2 ALA 7 37.646 32.281 13.988 44 HB3 ALA 7 HB3 ALA 7 37.748 31.714 12.300 45 H SER 8 H SER 8 34.616 29.509 13.837 46 HA SER 8 HA SER 8 34.102 28.662 11.118 47 HB3 SER 8 HB3 SER 8 34.304 26.504 13.266 48 HG SER 8 HG SER 8 32.818 26.354 11.468 49 H GLN 9 H GLN 9 33.006 30.092 13.827 50 HA GLN 9 HA GLN 9 30.760 28.461 14.588 51 HB3 GLN 9 HB3 GLN 9 30.326 30.313 16.157 52 HG3 GLN 9 HG3 GLN 9 32.108 28.582 16.729 53 HE21 GLN 9 HE22 GLN 9 34.468 28.644 17.745 54 HE22 GLN 9 HE21 GLN 9 35.699 29.332 16.716 55 H ALA 10 H ALA 10 29.101 28.307 13.096 56 HA ALA 10 HA ALA 10 27.637 30.789 12.506 57 HB1 ALA 10 HB1 ALA 10 28.802 30.243 10.399 58 HB2 ALA 10 HB2 ALA 10 28.198 28.568 10.490 59 HB3 ALA 10 HB3 ALA 10 27.060 29.912 10.275 60 H LEU 11 H LEU 11 25.417 30.440 12.513 61 HA LEU 11 HA LEU 11 24.263 27.813 13.207 62 HB3 LEU 11 HB3 LEU 11 22.805 29.023 14.831 63 HG LEU 11 HG LEU 11 25.727 29.500 15.578 64 HD11 LEU 11 HD11 LEU 11 24.817 29.396 17.886 65 HD12 LEU 11 HD12 LEU 11 23.158 29.351 17.217 66 HD13 LEU 11 HD13 LEU 11 24.192 30.761 16.966 67 HD21 LEU 11 HD21 LEU 11 23.918 27.073 15.975 68 HD22 LEU 11 HD22 LEU 11 25.507 27.307 16.770 69 HD23 LEU 11 HD23 LEU 11 25.395 27.167 15.020 70 H SER 12 H SER 12 22.202 27.575 12.218 71 HA SER 12 HA SER 12 20.949 29.936 10.975 72 HB3 SER 12 HB3 SER 12 20.872 28.925 8.773 73 HG SER 12 HG SER 12 23.198 28.727 8.350 74 H GLN 13 H GLN 13 18.803 29.765 11.473 75 HA GLN 13 HA GLN 13 17.409 27.357 10.796 76 HB3 GLN 13 HB3 GLN 13 16.800 28.296 13.605 77 HG3 GLN 13 HG3 GLN 13 16.835 25.535 12.290 78 HE21 GLN 13 HE22 GLN 13 14.185 25.350 14.072 79 HE22 GLN 13 HE21 GLN 13 14.868 24.997 15.652 80 H GLY 14 H GLY 14 15.072 27.862 10.678 81 HA2 GLY 14 HA2 GLY 14 14.344 30.719 10.978 82 HA3 GLY 14 HA3 GLY 14 13.852 29.771 9.562 83 H SER 15 H SER 15 11.644 29.385 9.849 84 HA SER 15 HA SER 15 10.850 27.515 11.782 85 HB3 SER 15 HB3 SER 15 10.441 29.220 13.338 86 HG SER 15 HG SER 15 9.534 30.870 11.181 87 H GLU 16 H GLU 16 8.709 26.765 11.121 88 HA GLU 16 HA GLU 16 7.881 27.540 8.346 89 HB3 GLU 16 HB3 GLU 16 7.826 25.043 7.849 90 HG3 GLU 16 HG3 GLU 16 10.440 26.586 8.227 91 HA PRO 17 HA PRO 17 4.329 27.025 11.263 92 HB3 PRO 17 HB3 PRO 17 4.625 29.252 11.903 93 HG3 PRO 17 HG3 PRO 17 5.276 30.961 10.320 94 HD3 PRO 17 HD3 PRO 17 6.985 29.341 10.465 95 H SER 18 H SER 18 1.888 27.845 10.520 96 HA SER 18 HA SER 18 0.077 27.448 9.264 97 HB3 SER 18 HB3 SER 18 0.197 27.924 6.839 98 HG SER 18 HG SER 18 0.069 29.856 7.581 99 H SER 19 H SER 19 -0.241 25.400 9.977 100 HA SER 19 HA SER 19 0.174 23.319 7.964 101 HB3 SER 19 HB3 SER 19 0.772 21.731 9.914 102 HG SER 19 HG SER 19 2.606 23.742 9.034 103 H GLU 20 H GLU 20 -1.864 23.568 7.392 104 HA GLU 20 HA GLU 20 -3.943 22.598 9.326 105 HB3 GLU 20 HB3 GLU 20 -5.600 23.650 7.859 106 HG3 GLU 20 HG3 GLU 20 -3.575 25.732 8.757 107 H ASN 21 H ASN 21 -2.618 22.493 5.951 108 HA ASN 21 HA ASN 21 -4.587 20.497 5.099 109 HB3 ASN 21 HB3 ASN 21 -2.856 20.326 3.154 110 HD21 ASN 21 HD22 ASN 21 -5.341 22.379 4.526 111 HD22 ASN 21 HD21 ASN 21 -5.778 23.049 2.978 112 H ALA 22 H ALA 22 -4.396 18.265 5.228 113 HA ALA 22 HA ALA 22 -1.743 17.082 5.430 114 HB1 ALA 22 HB1 ALA 22 -2.217 17.477 7.803 115 HB2 ALA 22 HB2 ALA 22 -3.830 16.774 7.633 116 HB3 ALA 22 HB3 ALA 22 -2.393 15.740 7.475 117 H ASN 23 H ASN 23 -1.890 14.708 5.365 118 HA ASN 23 HA ASN 23 -4.381 13.489 4.583 119 HB3 ASN 23 HB3 ASN 23 -1.939 13.236 2.787 120 HD21 ASN 23 HD22 ASN 23 -5.496 12.468 3.124 121 HD22 ASN 23 HD21 ASN 23 -5.342 10.863 2.450 122 H ASP 24 H ASP 24 -3.624 10.955 4.234 123 HA ASP 24 HA ASP 24 -2.024 10.105 6.548 124 HB3 ASP 24 HB3 ASP 24 -3.961 10.171 7.758 125 H THR 25 H THR 25 -0.983 8.401 5.972 126 HA THR 25 HA THR 25 -1.629 6.584 3.770 127 HB THR 25 HB THR 25 0.742 8.477 3.501 128 HG1 THR 25 HG1 THR 25 -1.865 8.917 2.764 129 HG21 THR 25 HG21 THR 25 -0.653 6.804 1.396 130 HG22 THR 25 HG22 THR 25 0.783 6.271 2.291 131 HG23 THR 25 HG23 THR 25 0.888 7.701 1.236 132 H ILE 26 H ILE 26 0.042 4.852 3.716 133 HA ILE 26 HA ILE 26 1.933 4.896 6.043 134 HB ILE 26 HB ILE 26 0.407 2.711 4.701 135 HG13 ILE 26 HG13 ILE 26 -0.560 4.061 6.633 136 HG21 ILE 26 HG21 ILE 26 2.729 1.848 4.944 137 HG22 ILE 26 HG22 ILE 26 2.625 2.232 6.686 138 HG23 ILE 26 HG23 ILE 26 1.559 1.032 5.955 139 HD11 ILE 26 HD11 ILE 26 -1.149 1.706 5.886 140 HD12 ILE 26 HD12 ILE 26 -0.221 1.155 7.344 141 HD13 ILE 26 HD13 ILE 26 -1.636 2.207 7.519 142 H ILE 27 H ILE 27 4.025 3.981 5.653 143 HA ILE 27 HA ILE 27 4.928 4.007 2.832 144 HB ILE 27 HB ILE 27 5.302 6.242 4.015 145 HG13 ILE 27 HG13 ILE 27 7.486 4.739 2.567 146 HG21 ILE 27 HG21 ILE 27 7.528 4.834 5.449 147 HG22 ILE 27 HG22 ILE 27 7.083 6.559 5.513 148 HG23 ILE 27 HG23 ILE 27 5.981 5.340 6.192 149 HD11 ILE 27 HD11 ILE 27 5.897 7.299 2.096 150 HD12 ILE 27 HD12 ILE 27 7.143 6.701 1.022 151 HD13 ILE 27 HD13 ILE 27 5.667 5.743 1.257 152 H LEU 28 H LEU 28 6.252 2.334 2.415 153 HA LEU 28 HA LEU 28 6.892 0.405 4.611 154 HB3 LEU 28 HB3 LEU 28 7.641 -1.024 2.705 155 HG LEU 28 HG LEU 28 5.668 -1.768 1.742 156 HD11 LEU 28 HD11 LEU 28 4.863 -0.679 4.470 157 HD12 LEU 28 HD12 LEU 28 5.845 -2.137 4.189 158 HD13 LEU 28 HD13 LEU 28 4.164 -2.067 3.641 159 HD21 LEU 28 HD21 LEU 28 4.144 0.704 2.596 160 HD22 LEU 28 HD22 LEU 28 3.609 -0.644 1.557 161 HD23 LEU 28 HD23 LEU 28 4.810 0.493 0.969 162 H ARG 29 H ARG 29 9.085 -0.034 5.098 163 HA ARG 29 HA ARG 29 11.143 1.596 3.706 164 HB3 ARG 29 HB3 ARG 29 12.064 2.410 5.771 165 HG3 ARG 29 HG3 ARG 29 9.058 2.813 6.093 166 HD3 ARG 29 HD3 ARG 29 10.164 3.835 7.921 167 HE ARG 29 HE ARG 29 11.975 5.125 7.899 168 HH11 ARG 29 HH11 ARG 29 11.324 4.554 4.454 169 HH12 ARG 29 HH12 ARG 29 12.867 5.087 3.918 170 HH21 ARG 29 HH22 ARG 29 13.854 6.246 7.149 171 HH22 ARG 29 HH21 ARG 29 14.245 6.230 5.462 172 H ASN 30 H ASN 30 13.377 0.827 4.541 173 HA ASN 30 HA ASN 30 14.910 -0.793 4.355 174 HB3 ASN 30 HB3 ASN 30 13.153 -2.439 6.199 175 HD21 ASN 30 HD22 ASN 30 14.170 -4.358 6.628 176 HD22 ASN 30 HD21 ASN 30 15.925 -4.672 6.523 177 H LEU 31 H LEU 31 13.632 -0.831 2.049 178 HA LEU 31 HA LEU 31 12.738 -3.658 1.587 179 HB3 LEU 31 HB3 LEU 31 11.439 -2.897 -0.192 180 HG LEU 31 HG LEU 31 10.969 -0.764 1.908 181 HD11 LEU 31 HD11 LEU 31 8.994 -0.334 0.833 182 HD12 LEU 31 HD12 LEU 31 8.844 -1.961 0.133 183 HD13 LEU 31 HD13 LEU 31 9.957 -0.776 -0.568 184 HD21 LEU 31 HD21 LEU 31 9.634 -3.497 1.672 185 HD22 LEU 31 HD22 LEU 31 9.372 -2.259 2.933 186 HD23 LEU 31 HD23 LEU 31 10.896 -3.115 2.867 187 H ASN 32 H ASN 32 13.174 -4.374 -0.773 188 HA ASN 32 HA ASN 32 15.917 -3.467 -1.480 189 HB3 ASN 32 HB3 ASN 32 15.415 -6.272 -2.063 190 HD21 ASN 32 HD22 ASN 32 17.495 -7.346 -1.834 191 HD22 ASN 32 HD21 ASN 32 18.796 -6.483 -1.058 192 HA PRO 33 HA PRO 33 14.833 -2.849 -5.539 193 HB3 PRO 33 HB3 PRO 33 16.947 -2.495 -6.288 194 HG3 PRO 33 HG3 PRO 33 18.744 -3.534 -5.207 195 HD3 PRO 33 HD3 PRO 33 17.433 -3.033 -3.333 196 H HIS 34 H HIS 34 15.808 -6.290 -5.227 197 HA HIS 34 HA HIS 34 13.810 -7.199 -7.156 198 HB3 HIS 34 HB3 HIS 34 14.677 -9.471 -6.211 199 HD1 HIS 34 HD1 HIS 34 14.829 -9.730 -8.812 200 HD2 HIS 34 HD2 HIS 34 17.770 -7.279 -7.025 201 HE1 HIS 34 HE1 HIS 34 16.660 -9.373 -10.569 202 H SER 35 H SER 35 13.064 -5.871 -4.323 203 HA SER 35 HA SER 35 11.604 -7.997 -3.039 204 HB3 SER 35 HB3 SER 35 11.352 -5.013 -2.623 205 HG SER 35 HG SER 35 10.561 -7.266 -1.176 206 H THR 36 H THR 36 9.145 -7.266 -2.592 207 HA THR 36 HA THR 36 7.707 -6.818 -5.155 208 HB THR 36 HB THR 36 6.486 -9.046 -4.353 209 HG1 THR 36 HG1 THR 36 8.393 -10.452 -3.674 210 HG21 THR 36 HG21 THR 36 7.712 -8.733 -6.486 211 HG22 THR 36 HG22 THR 36 7.867 -10.354 -5.807 212 HG23 THR 36 HG23 THR 36 9.219 -9.214 -5.678 213 H MET 37 H MET 37 5.606 -6.056 -4.944 214 HA MET 37 HA MET 37 4.481 -4.955 -2.629 215 HB3 MET 37 HB3 MET 37 3.312 -6.092 -5.203 216 HG3 MET 37 HG3 MET 37 1.896 -4.646 -2.970 217 HE1 MET 37 HE1 MET 37 1.699 -2.621 -4.612 218 HE2 MET 37 HE2 MET 37 2.046 -3.305 -6.201 219 HE3 MET 37 HE3 MET 37 0.470 -2.543 -5.897 220 H ASP 38 H ASP 38 4.453 -8.296 -3.844 221 HA ASP 38 HA ASP 38 2.241 -9.168 -2.544 222 HB3 ASP 38 HB3 ASP 38 4.260 -11.298 -2.652 223 H SER 39 H SER 39 5.402 -8.807 -0.965 224 HA SER 39 HA SER 39 4.919 -10.106 1.474 225 HB3 SER 39 HB3 SER 39 7.030 -9.132 1.146 226 HG SER 39 HG SER 39 6.541 -7.411 -0.300 227 H ILE 40 H ILE 40 3.466 -7.123 0.290 228 HA ILE 40 HA ILE 40 2.300 -6.463 2.892 229 HB ILE 40 HB ILE 40 2.169 -4.976 0.249 230 HG13 ILE 40 HG13 ILE 40 4.256 -5.041 2.397 231 HG21 ILE 40 HG21 ILE 40 0.345 -4.265 1.671 232 HG22 ILE 40 HG22 ILE 40 1.438 -4.081 3.063 233 HG23 ILE 40 HG23 ILE 40 1.566 -3.006 1.652 234 HD11 ILE 40 HD11 ILE 40 4.253 -3.794 -0.391 235 HD12 ILE 40 HD12 ILE 40 5.660 -4.048 0.650 236 HD13 ILE 40 HD13 ILE 40 4.801 -5.437 -0.033 237 H LEU 41 H LEU 41 1.533 -8.475 0.250 238 HA LEU 41 HA LEU 41 -1.371 -8.395 0.921 239 HB3 LEU 41 HB3 LEU 41 -1.757 -9.498 -1.230 240 HG LEU 41 HG LEU 41 -0.070 -6.993 -1.651 241 HD11 LEU 41 HD11 LEU 41 -1.320 -6.755 -3.700 242 HD12 LEU 41 HD12 LEU 41 -2.356 -8.132 -3.286 243 HD13 LEU 41 HD13 LEU 41 -0.621 -8.392 -3.645 244 HD21 LEU 41 HD21 LEU 41 -2.227 -5.748 -1.643 245 HD22 LEU 41 HD22 LEU 41 -1.854 -6.427 -0.061 246 HD23 LEU 41 HD23 LEU 41 -3.063 -7.213 -1.094 247 H GLY 42 H GLY 42 1.352 -9.993 1.691 248 HA2 GLY 42 HA2 GLY 42 -0.052 -12.588 2.229 249 HA3 GLY 42 HA3 GLY 42 1.667 -12.404 1.968 250 H ALA 43 H ALA 43 0.450 -9.929 4.052 251 HA ALA 43 HA ALA 43 0.947 -11.629 6.485 252 HB1 ALA 43 HB1 ALA 43 2.065 -9.612 7.549 253 HB2 ALA 43 HB2 ALA 43 2.971 -10.449 6.300 254 HB3 ALA 43 HB3 ALA 43 2.183 -8.902 5.929 255 H LEU 44 H LEU 44 -0.944 -9.115 5.028 256 HA LEU 44 HA LEU 44 -2.270 -8.442 7.602 257 HB3 LEU 44 HB3 LEU 44 -2.765 -6.298 6.722 258 HG LEU 44 HG LEU 44 -0.836 -5.124 6.692 259 HD11 LEU 44 HD11 LEU 44 -0.789 -6.504 8.707 260 HD12 LEU 44 HD12 LEU 44 0.859 -6.220 8.096 261 HD13 LEU 44 HD13 LEU 44 0.117 -7.762 7.860 262 HD21 LEU 44 HD21 LEU 44 0.036 -5.853 4.562 263 HD22 LEU 44 HD22 LEU 44 0.632 -7.364 5.268 264 HD23 LEU 44 HD23 LEU 44 1.320 -5.809 5.776 265 H ALA 45 H ALA 45 -2.751 -10.266 4.832 266 HA ALA 45 HA ALA 45 -5.009 -9.171 3.679 267 HB1 ALA 45 HB1 ALA 45 -5.325 -11.237 2.544 268 HB2 ALA 45 HB2 ALA 45 -3.600 -10.908 2.676 269 HB3 ALA 45 HB3 ALA 45 -4.345 -12.129 3.724 270 HA PRO 46 HA PRO 46 -8.076 -11.505 6.406 271 HB3 PRO 46 HB3 PRO 46 -7.335 -13.510 7.235 272 HG3 PRO 46 HG3 PRO 46 -5.060 -13.807 7.894 273 HD3 PRO 46 HD3 PRO 46 -4.861 -12.912 5.734 274 H TYR 47 H TYR 47 -5.710 -9.224 7.352 275 HA TYR 47 HA TYR 47 -7.354 -8.089 9.541 276 HB3 TYR 47 HB3 TYR 47 -5.363 -7.248 10.468 277 HD1 TYR 47 HD2 TYR 47 -6.705 -9.868 10.893 278 HD2 TYR 47 HD1 TYR 47 -2.676 -9.000 9.632 279 HE1 TYR 47 HE2 TYR 47 -5.983 -12.092 11.690 280 HE2 TYR 47 HE1 TYR 47 -1.955 -11.239 10.373 281 HH TYR 47 HH TYR 47 -4.210 -13.557 11.953 282 H ALA 48 H ALA 48 -7.244 -7.795 6.370 283 HA ALA 48 HA ALA 48 -7.780 -4.878 6.438 284 HB1 ALA 48 HB1 ALA 48 -5.343 -5.248 5.871 285 HB2 ALA 48 HB2 ALA 48 -5.862 -6.203 4.459 286 HB3 ALA 48 HB3 ALA 48 -6.267 -4.474 4.582 287 H VAL 49 H VAL 49 -8.825 -4.094 4.403 288 HA VAL 49 HA VAL 49 -10.167 -6.181 2.819 289 HB VAL 49 HB VAL 49 -11.596 -5.827 4.631 290 HG11 VAL 49 HG11 VAL 49 -12.725 -3.721 5.144 291 HG12 VAL 49 HG12 VAL 49 -10.989 -3.643 5.441 292 HG13 VAL 49 HG13 VAL 49 -11.674 -2.858 4.004 293 HG21 VAL 49 HG21 VAL 49 -12.611 -6.287 2.496 294 HG22 VAL 49 HG22 VAL 49 -13.652 -5.180 3.417 295 HG23 VAL 49 HG23 VAL 49 -12.641 -4.558 2.092 296 H LEU 50 H LEU 50 -8.624 -5.639 1.309 297 HA LEU 50 HA LEU 50 -8.982 -3.170 -0.274 298 HB3 LEU 50 HB3 LEU 50 -7.570 -2.393 1.441 299 HG LEU 50 HG LEU 50 -6.810 -4.532 2.437 300 HD11 LEU 50 HD11 LEU 50 -5.008 -4.708 0.005 301 HD12 LEU 50 HD12 LEU 50 -6.152 -5.918 0.628 302 HD13 LEU 50 HD13 LEU 50 -4.699 -5.547 1.533 303 HD21 LEU 50 HD21 LEU 50 -5.812 -2.502 3.131 304 HD22 LEU 50 HD22 LEU 50 -4.726 -2.472 1.738 305 HD23 LEU 50 HD23 LEU 50 -4.533 -3.703 3.011 306 H SER 51 H SER 51 -6.363 -3.514 -1.667 307 HA SER 51 HA SER 51 -6.208 -6.140 -2.776 308 HB3 SER 51 HB3 SER 51 -7.331 -3.965 -4.617 309 HG SER 51 HG SER 51 -7.811 -6.712 -4.800 310 H SER 52 H SER 52 -5.071 -5.526 -5.164 311 HA SER 52 HA SER 52 -2.459 -4.534 -4.449 312 HB3 SER 52 HB3 SER 52 -2.867 -6.419 -5.994 313 HG SER 52 HG SER 52 -4.590 -4.909 -7.234 314 H SER 53 H SER 53 -5.015 -2.545 -4.800 315 HA SER 53 HA SER 53 -3.730 -0.612 -6.639 316 HB3 SER 53 HB3 SER 53 -5.724 0.674 -6.338 317 HG SER 53 HG SER 53 -7.293 -0.890 -7.111 318 H ASN 54 H ASN 54 -4.856 -0.929 -3.273 319 HA ASN 54 HA ASN 54 -4.184 1.519 -2.172 320 HB3 ASN 54 HB3 ASN 54 -3.647 0.108 -0.041 321 HD21 ASN 54 HD22 ASN 54 -5.201 0.696 1.271 322 HD22 ASN 54 HD21 ASN 54 -6.885 0.892 0.899 323 H VAL 55 H VAL 55 -1.965 -1.344 -2.084 324 HA VAL 55 HA VAL 55 0.338 0.160 -1.360 325 HB VAL 55 HB VAL 55 0.429 -2.398 -2.977 326 HG11 VAL 55 HG11 VAL 55 2.621 -1.353 -2.430 327 HG12 VAL 55 HG12 VAL 55 2.186 -1.331 -0.710 328 HG13 VAL 55 HG13 VAL 55 2.417 -2.870 -1.556 329 HG21 VAL 55 HG21 VAL 55 0.337 -3.652 -0.807 330 HG22 VAL 55 HG22 VAL 55 -0.350 -2.169 -0.084 331 HG23 VAL 55 HG23 VAL 55 -1.159 -3.002 -1.451 332 H ARG 56 H ARG 56 1.924 1.141 -2.591 333 HA ARG 56 HA ARG 56 1.840 0.915 -5.536 334 HB3 ARG 56 HB3 ARG 56 2.231 3.653 -4.352 335 HG3 ARG 56 HG3 ARG 56 2.276 3.112 -6.820 336 HD3 ARG 56 HD3 ARG 56 0.211 1.567 -6.643 337 HE ARG 56 HE ARG 56 -1.206 3.981 -6.184 338 HH11 ARG 56 HH11 ARG 56 -1.427 0.889 -7.943 339 HH12 ARG 56 HH12 ARG 56 -3.077 1.190 -8.447 340 HH21 ARG 56 HH22 ARG 56 -3.518 4.207 -6.801 341 HH22 ARG 56 HH21 ARG 56 -4.227 2.956 -7.751 342 H VAL 57 H VAL 57 3.861 0.344 -6.182 343 HA VAL 57 HA VAL 57 6.110 0.919 -4.320 344 HB VAL 57 HB VAL 57 5.542 -1.330 -4.011 345 HG11 VAL 57 HG11 VAL 57 5.512 -3.032 -5.776 346 HG12 VAL 57 HG12 VAL 57 4.233 -1.835 -6.013 347 HG13 VAL 57 HG13 VAL 57 5.702 -1.768 -7.008 348 HG21 VAL 57 HG21 VAL 57 7.957 -1.205 -5.851 349 HG22 VAL 57 HG22 VAL 57 7.955 -0.780 -4.129 350 HG23 VAL 57 HG23 VAL 57 7.627 -2.447 -4.633 351 H ILE 58 H ILE 58 6.625 2.713 -5.282 352 HA ILE 58 HA ILE 58 6.857 2.959 -8.148 353 HB ILE 58 HB ILE 58 8.045 4.883 -6.129 354 HG13 ILE 58 HG13 ILE 58 5.936 6.186 -6.234 355 HG21 ILE 58 HG21 ILE 58 7.661 6.552 -7.879 356 HG22 ILE 58 HG22 ILE 58 8.687 5.256 -8.506 357 HG23 ILE 58 HG23 ILE 58 6.967 5.313 -8.947 358 HD11 ILE 58 HD11 ILE 58 3.834 4.973 -6.564 359 HD12 ILE 58 HD12 ILE 58 4.724 5.089 -8.103 360 HD13 ILE 58 HD13 ILE 58 4.692 3.565 -7.175 361 H LYS 59 H LYS 59 8.409 2.315 -9.369 362 HA LYS 59 HA LYS 59 10.881 1.226 -8.184 363 HB3 LYS 59 HB3 LYS 59 11.080 0.219 -10.538 364 HG3 LYS 59 HG3 LYS 59 8.493 -0.318 -8.992 365 HD3 LYS 59 HD3 LYS 59 9.254 -2.733 -9.429 366 HE3 LYS 59 HE3 LYS 59 8.325 -2.854 -11.744 367 HZ1 LYS 59 HZ1 LYS 59 6.859 -2.792 -9.789 368 HZ2 LYS 59 HZ2 LYS 59 6.182 -2.266 -11.153 369 HZ3 LYS 59 HZ3 LYS 59 6.619 -1.156 -10.011 370 H ASP 60 H ASP 60 12.884 1.420 -9.874 371 HA ASP 60 HA ASP 60 13.458 4.312 -10.150 372 HB3 ASP 60 HB3 ASP 60 15.095 2.014 -11.209 373 H LYS 61 H LYS 61 14.218 4.999 -12.289 374 HA LYS 61 HA LYS 61 12.640 4.063 -14.659 375 HB3 LYS 61 HB3 LYS 61 14.345 6.473 -14.019 376 HG3 LYS 61 HG3 LYS 61 12.938 5.791 -16.619 377 HD3 LYS 61 HD3 LYS 61 12.689 8.182 -15.821 378 HE3 LYS 61 HE3 LYS 61 15.717 8.073 -16.251 379 HZ1 LYS 61 HZ1 LYS 61 14.604 10.140 -17.105 380 HZ2 LYS 61 HZ2 LYS 61 15.804 10.362 -15.997 381 HZ3 LYS 61 HZ3 LYS 61 14.235 10.526 -15.561 382 H GLN 62 H GLN 62 15.937 4.408 -13.250 383 HA GLN 62 HA GLN 62 17.363 3.877 -15.670 384 HB3 GLN 62 HB3 GLN 62 19.302 3.763 -14.286 385 HG3 GLN 62 HG3 GLN 62 17.404 5.720 -12.917 386 HE21 GLN 62 HE22 GLN 62 18.893 8.033 -13.153 387 HE22 GLN 62 HE21 GLN 62 20.358 7.788 -12.238 388 H THR 63 H THR 63 15.728 1.852 -13.574 389 HA THR 63 HA THR 63 16.775 -0.645 -14.772 390 HB THR 63 HB THR 63 17.050 -1.669 -12.545 391 HG1 THR 63 HG1 THR 63 16.916 -0.063 -10.699 392 HG21 THR 63 HG21 THR 63 19.055 -0.469 -13.422 393 HG22 THR 63 HG22 THR 63 18.998 -0.549 -11.660 394 HG23 THR 63 HG23 THR 63 18.581 0.964 -12.488 395 H GLN 64 H GLN 64 15.326 -2.443 -13.395 396 HA GLN 64 HA GLN 64 12.479 -1.520 -13.378 397 HB3 GLN 64 HB3 GLN 64 11.951 -3.831 -14.210 398 HG3 GLN 64 HG3 GLN 64 12.779 -3.442 -16.591 399 HE21 GLN 64 HE22 GLN 64 12.557 -0.090 -15.675 400 HE22 GLN 64 HE21 GLN 64 10.867 0.084 -16.051 401 H LEU 65 H LEU 65 14.031 -1.168 -11.242 402 HA LEU 65 HA LEU 65 13.439 -3.441 -9.396 403 HB3 LEU 65 HB3 LEU 65 15.519 -2.854 -8.287 404 HG LEU 65 HG LEU 65 16.031 -3.284 -11.257 405 HD11 LEU 65 HD11 LEU 65 17.934 -3.412 -8.898 406 HD12 LEU 65 HD12 LEU 65 17.872 -2.142 -10.120 407 HD13 LEU 65 HD13 LEU 65 18.327 -3.792 -10.595 408 HD21 LEU 65 HD21 LEU 65 14.858 -5.186 -10.202 409 HD22 LEU 65 HD22 LEU 65 16.084 -5.249 -8.915 410 HD23 LEU 65 HD23 LEU 65 16.530 -5.608 -10.590 411 H ASN 66 H ASN 66 13.319 -2.737 -7.202 412 HA ASN 66 HA ASN 66 11.649 -0.345 -7.035 413 HB3 ASN 66 HB3 ASN 66 11.232 -1.009 -4.758 414 HD21 ASN 66 HD22 ASN 66 11.718 -4.081 -4.603 415 HD22 ASN 66 HD21 ASN 66 10.386 -4.723 -5.545 416 H ARG 67 H ARG 67 12.014 1.498 -5.844 417 HA ARG 67 HA ARG 67 14.796 2.215 -5.396 418 HB3 ARG 67 HB3 ARG 67 13.473 4.443 -4.669 419 HG3 ARG 67 HG3 ARG 67 13.639 3.366 -7.526 420 HD3 ARG 67 HD3 ARG 67 13.214 6.100 -6.354 421 HE ARG 67 HE ARG 67 15.385 5.611 -8.084 422 HH11 ARG 67 HH11 ARG 67 12.541 7.824 -7.936 423 HH12 ARG 67 HH12 ARG 67 13.527 9.210 -8.253 424 HH21 ARG 67 HH22 ARG 67 16.577 7.526 -8.582 425 HH22 ARG 67 HH21 ARG 67 15.739 8.972 -9.027 426 H GLY 68 H GLY 68 13.108 0.323 -3.329 427 HA2 GLY 68 HA2 GLY 68 13.999 -0.296 -1.327 428 HA3 GLY 68 HA3 GLY 68 14.823 1.250 -1.166 429 H PHE 69 H PHE 69 11.571 1.805 -1.930 430 HA PHE 69 HA PHE 69 10.478 1.652 0.737 431 HB3 PHE 69 HB3 PHE 69 11.667 3.929 0.543 432 HD1 PHE 69 HD1 PHE 69 12.000 4.121 -2.241 433 HD2 PHE 69 HD2 PHE 69 8.659 5.530 0.084 434 HE1 PHE 69 HE1 PHE 69 11.385 5.705 -4.072 435 HE2 PHE 69 HE2 PHE 69 8.107 7.168 -1.672 436 HZ PHE 69 HZ PHE 69 9.456 7.230 -3.792 437 H ALA 70 H ALA 70 8.030 2.392 0.458 438 HA ALA 70 HA ALA 70 6.901 2.454 -2.192 439 HB1 ALA 70 HB1 ALA 70 5.428 0.456 -1.850 440 HB2 ALA 70 HB2 ALA 70 7.131 0.038 -2.090 441 HB3 ALA 70 HB3 ALA 70 6.433 -0.024 -0.478 442 H PHE 71 H PHE 71 4.459 2.646 -1.889 443 HA PHE 71 HA PHE 71 3.752 4.206 0.562 444 HB3 PHE 71 HB3 PHE 71 2.035 4.990 -1.392 445 HD1 PHE 71 HD2 PHE 71 2.933 6.317 0.931 446 HD2 PHE 71 HD1 PHE 71 4.671 6.424 -3.025 447 HE1 PHE 71 HE2 PHE 71 3.743 8.585 1.341 448 HE2 PHE 71 HE1 PHE 71 5.520 8.706 -2.575 449 HZ PHE 71 HZ PHE 71 5.051 9.804 -0.390 450 H ILE 72 H ILE 72 1.442 4.001 1.206 451 HA ILE 72 HA ILE 72 -0.225 2.022 -0.200 452 HB ILE 72 HB ILE 72 0.014 2.111 2.817 453 HG13 ILE 72 HG13 ILE 72 2.034 1.140 2.069 454 HG21 ILE 72 HG21 ILE 72 -1.391 0.063 1.023 455 HG22 ILE 72 HG22 ILE 72 -1.501 0.176 2.790 456 HG23 ILE 72 HG23 ILE 72 -2.222 1.424 1.800 457 HD11 ILE 72 HD11 ILE 72 0.309 -1.221 2.888 458 HD12 ILE 72 HD12 ILE 72 2.022 -0.954 3.218 459 HD13 ILE 72 HD13 ILE 72 0.803 0.056 4.020 460 H GLN 73 H GLN 73 -2.105 3.115 -0.686 461 HA GLN 73 HA GLN 73 -2.931 5.576 0.789 462 HB3 GLN 73 HB3 GLN 73 -5.000 5.135 -0.821 463 HG3 GLN 73 HG3 GLN 73 -2.346 6.134 -1.881 464 HE21 GLN 73 HE22 GLN 73 -2.325 6.685 -4.103 465 HE22 GLN 73 HE21 GLN 73 -3.760 6.644 -5.104 466 H LEU 74 H LEU 74 -4.786 5.623 2.049 467 HA LEU 74 HA LEU 74 -6.812 3.877 2.353 468 HB3 LEU 74 HB3 LEU 74 -5.173 2.199 3.231 469 HG LEU 74 HG LEU 74 -4.829 3.764 5.676 470 HD11 LEU 74 HD11 LEU 74 -5.010 1.117 5.518 471 HD12 LEU 74 HD12 LEU 74 -3.721 1.819 6.483 472 HD13 LEU 74 HD13 LEU 74 -3.376 1.238 4.865 473 HD21 LEU 74 HD21 LEU 74 -2.350 3.640 5.065 474 HD22 LEU 74 HD22 LEU 74 -3.293 4.737 4.025 475 HD23 LEU 74 HD23 LEU 74 -2.883 3.104 3.449 476 H SER 75 H SER 75 -7.851 4.445 4.761 477 HA SER 75 HA SER 75 -7.555 7.394 4.947 478 HB3 SER 75 HB3 SER 75 -9.953 5.705 5.702 479 HG SER 75 HG SER 75 -9.739 8.443 4.948 480 H THR 76 H THR 76 -7.892 8.346 7.049 481 HA THR 76 HA THR 76 -6.060 7.835 8.816 482 HB THR 76 HB THR 76 -7.390 9.013 10.593 483 HG1 THR 76 HG1 THR 76 -9.420 9.248 8.666 484 HG21 THR 76 HG21 THR 76 -7.610 10.346 7.881 485 HG22 THR 76 HG22 THR 76 -6.151 10.318 8.908 486 HG23 THR 76 HG23 THR 76 -7.621 11.129 9.469 487 H ILE 77 H ILE 77 -9.200 6.147 9.199 488 HA ILE 77 HA ILE 77 -8.694 4.923 11.713 489 HB ILE 77 HB ILE 77 -10.371 4.014 9.346 490 HG13 ILE 77 HG13 ILE 77 -10.998 5.387 11.988 491 HG21 ILE 77 HG21 ILE 77 -10.244 2.838 12.161 492 HG22 ILE 77 HG22 ILE 77 -11.470 2.449 10.942 493 HG23 ILE 77 HG23 ILE 77 -9.791 2.014 10.659 494 HD11 ILE 77 HD11 ILE 77 -11.512 6.159 9.100 495 HD12 ILE 77 HD12 ILE 77 -12.456 6.834 10.449 496 HD13 ILE 77 HD13 ILE 77 -10.711 7.107 10.366 497 H GLU 78 H GLU 78 -8.296 3.596 8.434 498 HA GLU 78 HA GLU 78 -6.918 1.243 9.352 499 HB3 GLU 78 HB3 GLU 78 -6.607 0.750 7.010 500 HG3 GLU 78 HG3 GLU 78 -8.790 1.094 5.961 501 H ALA 79 H ALA 79 -5.914 4.451 8.195 502 HA ALA 79 HA ALA 79 -3.319 3.644 7.403 503 HB1 ALA 79 HB1 ALA 79 -4.327 6.463 8.081 504 HB2 ALA 79 HB2 ALA 79 -2.908 6.086 7.090 505 HB3 ALA 79 HB3 ALA 79 -4.536 5.731 6.483 506 H ALA 80 H ALA 80 -4.810 4.346 10.438 507 HA ALA 80 HA ALA 80 -2.201 4.774 11.695 508 HB1 ALA 80 HB1 ALA 80 -3.890 6.676 11.687 509 HB2 ALA 80 HB2 ALA 80 -4.851 5.708 12.831 510 HB3 ALA 80 HB3 ALA 80 -3.208 6.243 13.261 511 H GLN 81 H GLN 81 -5.091 2.689 11.756 512 HA GLN 81 HA GLN 81 -4.274 1.554 14.336 513 HB3 GLN 81 HB3 GLN 81 -6.675 1.757 13.540 514 HG3 GLN 81 HG3 GLN 81 -6.040 -0.896 12.174 515 HE21 GLN 81 HE22 GLN 81 -7.880 -2.307 11.804 516 HE22 GLN 81 HE21 GLN 81 -9.487 -1.746 12.180 517 H LEU 82 H LEU 82 -3.957 0.701 10.892 518 HA LEU 82 HA LEU 82 -3.208 -1.991 11.149 519 HB3 LEU 82 HB3 LEU 82 -1.682 -1.241 9.012 520 HG LEU 82 HG LEU 82 -3.681 -1.406 7.527 521 HD11 LEU 82 HD11 LEU 82 -4.158 -3.787 8.024 522 HD12 LEU 82 HD12 LEU 82 -3.381 -3.599 9.604 523 HD13 LEU 82 HD13 LEU 82 -2.420 -3.410 8.124 524 HD21 LEU 82 HD21 LEU 82 -5.850 -2.040 8.393 525 HD22 LEU 82 HD22 LEU 82 -5.403 -0.478 9.061 526 HD23 LEU 82 HD23 LEU 82 -5.281 -1.939 10.061 527 H LEU 83 H LEU 83 -0.940 0.881 11.179 528 HA LEU 83 HA LEU 83 1.376 -0.488 11.362 529 HB3 LEU 83 HB3 LEU 83 1.224 1.932 13.048 530 HG LEU 83 HG LEU 83 3.193 0.656 11.758 531 HD11 LEU 83 HD11 LEU 83 3.541 1.550 9.463 532 HD12 LEU 83 HD12 LEU 83 2.049 2.495 9.592 533 HD13 LEU 83 HD13 LEU 83 1.967 0.732 9.534 534 HD21 LEU 83 HD21 LEU 83 2.904 3.634 11.550 535 HD22 LEU 83 HD22 LEU 83 4.422 2.679 11.636 536 HD23 LEU 83 HD23 LEU 83 3.325 2.756 13.023 537 H GLN 84 H GLN 84 -0.958 0.107 13.978 538 HA GLN 84 HA GLN 84 0.933 -0.606 16.108 539 HB3 GLN 84 HB3 GLN 84 -1.499 -0.428 17.354 540 HG3 GLN 84 HG3 GLN 84 0.665 1.490 16.733 541 HE21 GLN 84 HE22 GLN 84 0.057 3.279 15.536 542 HE22 GLN 84 HE21 GLN 84 -1.271 4.342 15.983 543 H ILE 85 H ILE 85 -0.973 -2.383 13.939 544 HA ILE 85 HA ILE 85 -1.046 -4.752 15.724 545 HB ILE 85 HB ILE 85 -1.987 -4.332 12.862 546 HG13 ILE 85 HG13 ILE 85 -3.303 -3.165 14.717 547 HG21 ILE 85 HG21 ILE 85 -2.191 -6.753 14.721 548 HG22 ILE 85 HG22 ILE 85 -3.045 -6.598 13.178 549 HG23 ILE 85 HG23 ILE 85 -1.288 -6.663 13.197 550 HD11 ILE 85 HD11 ILE 85 -4.410 -3.878 12.613 551 HD12 ILE 85 HD12 ILE 85 -4.890 -5.393 13.423 552 HD13 ILE 85 HD13 ILE 85 -5.473 -3.839 14.035 553 H LEU 86 H LEU 86 0.520 -3.451 12.748 554 HA LEU 86 HA LEU 86 2.035 -5.799 12.211 555 HB3 LEU 86 HB3 LEU 86 3.553 -4.197 10.934 556 HG LEU 86 HG LEU 86 1.704 -5.551 9.948 557 HD11 LEU 86 HD11 LEU 86 0.276 -2.852 9.972 558 HD12 LEU 86 HD12 LEU 86 -0.301 -4.356 10.752 559 HD13 LEU 86 HD13 LEU 86 -0.224 -4.232 9.004 560 HD21 LEU 86 HD21 LEU 86 1.854 -4.195 7.820 561 HD22 LEU 86 HD22 LEU 86 3.409 -4.418 8.630 562 HD23 LEU 86 HD23 LEU 86 2.559 -2.875 8.786 563 H GLN 87 H GLN 87 2.620 -3.458 14.648 564 HA GLN 87 HA GLN 87 5.489 -3.867 14.897 565 HB3 GLN 87 HB3 GLN 87 5.076 -2.826 17.168 566 HG3 GLN 87 HG3 GLN 87 3.935 -0.704 16.037 567 HE21 GLN 87 HE22 GLN 87 5.463 0.754 14.438 568 HE22 GLN 87 HE21 GLN 87 7.146 0.676 14.865 569 H ALA 88 H ALA 88 3.073 -6.127 15.138 570 HA ALA 88 HA ALA 88 4.663 -7.758 17.048 571 HB1 ALA 88 HB1 ALA 88 2.567 -8.930 17.568 572 HB2 ALA 88 HB2 ALA 88 2.433 -7.201 17.928 573 HB3 ALA 88 HB3 ALA 88 1.674 -7.861 16.467 574 H LEU 89 H LEU 89 3.967 -7.486 13.662 575 HA LEU 89 HA LEU 89 4.523 -10.355 13.305 576 HB3 LEU 89 HB3 LEU 89 2.060 -10.156 13.504 577 HG LEU 89 HG LEU 89 1.964 -7.949 11.983 578 HD11 LEU 89 HD11 LEU 89 1.130 -8.550 9.701 579 HD12 LEU 89 HD12 LEU 89 1.734 -10.197 9.937 580 HD13 LEU 89 HD13 LEU 89 2.845 -8.800 9.891 581 HD21 LEU 89 HD21 LEU 89 -0.396 -8.484 11.484 582 HD22 LEU 89 HD22 LEU 89 0.048 -8.988 13.119 583 HD23 LEU 89 HD23 LEU 89 -0.080 -10.198 11.820 584 H HIS 90 H HIS 90 4.714 -10.902 10.856 585 HA HIS 90 HA HIS 90 5.602 -8.768 9.134 586 HB3 HIS 90 HB3 HIS 90 7.632 -9.040 10.509 587 HD1 HIS 90 HD1 HIS 90 7.037 -11.029 12.483 588 HD2 HIS 90 HD2 HIS 90 8.794 -12.184 8.827 589 HE1 HIS 90 HE1 HIS 90 7.806 -13.428 12.772 590 HA PRO 91 HA PRO 91 4.473 -12.121 6.343 591 HB3 PRO 91 HB3 PRO 91 4.308 -10.538 4.624 592 HG3 PRO 91 HG3 PRO 91 5.844 -8.735 4.496 593 HD3 PRO 91 HD3 PRO 91 5.164 -8.609 6.708 594 HA PRO 92 HA PRO 92 8.046 -14.788 6.379 595 HB3 PRO 92 HB3 PRO 92 6.392 -16.501 6.483 596 HG3 PRO 92 HG3 PRO 92 4.509 -16.469 4.998 597 HD3 PRO 92 HD3 PRO 92 4.424 -14.436 6.172 598 H LEU 93 H LEU 93 7.008 -13.280 3.563 599 HA LEU 93 HA LEU 93 9.089 -13.998 1.738 600 HB3 LEU 93 HB3 LEU 93 7.352 -11.573 2.308 601 HG LEU 93 HG LEU 93 7.966 -10.672 0.123 602 HD11 LEU 93 HD11 LEU 93 8.948 -9.993 2.557 603 HD12 LEU 93 HD12 LEU 93 9.377 -9.173 1.071 604 HD13 LEU 93 HD13 LEU 93 10.423 -10.435 1.716 605 HD21 LEU 93 HD21 LEU 93 10.549 -12.231 0.162 606 HD22 LEU 93 HD22 LEU 93 9.818 -11.232 -1.127 607 HD23 LEU 93 HD23 LEU 93 9.096 -12.778 -0.686 608 H THR 94 H THR 94 11.285 -13.627 1.945 609 HA THR 94 HA THR 94 12.129 -11.082 3.002 610 HB THR 94 HB THR 94 13.255 -13.587 4.217 611 HG1 THR 94 HG1 THR 94 11.304 -12.318 5.031 612 HG21 THR 94 HG21 THR 94 15.147 -12.215 3.796 613 HG22 THR 94 HG22 THR 94 14.761 -12.137 5.517 614 HG23 THR 94 HG23 THR 94 14.313 -10.792 4.459 615 H ILE 95 H ILE 95 13.454 -10.336 1.471 616 HA ILE 95 HA ILE 95 15.026 -12.202 -0.235 617 HB ILE 95 HB ILE 95 13.228 -11.061 -1.470 618 HG13 ILE 95 HG13 ILE 95 14.390 -10.708 -3.375 619 HG21 ILE 95 HG21 ILE 95 13.454 -8.632 -2.000 620 HG22 ILE 95 HG22 ILE 95 12.878 -9.012 -0.382 621 HG23 ILE 95 HG23 ILE 95 14.568 -8.504 -0.616 622 HD11 ILE 95 HD11 ILE 95 16.732 -9.867 -3.561 623 HD12 ILE 95 HD12 ILE 95 15.593 -8.645 -2.994 624 HD13 ILE 95 HD13 ILE 95 16.686 -9.438 -1.847 625 H ASP 96 H ASP 96 17.166 -11.821 -0.320 626 HA ASP 96 HA ASP 96 19.217 -11.424 0.595 627 HB3 ASP 96 HB3 ASP 96 19.677 -8.800 0.454 628 H GLY 97 H GLY 97 17.033 -11.451 2.684 629 HA2 GLY 97 HA2 GLY 97 17.107 -11.413 5.006 630 HA3 GLY 97 HA3 GLY 97 18.699 -10.666 4.943 631 H LYS 98 H LYS 98 15.784 -9.378 3.321 632 HA LYS 98 HA LYS 98 16.026 -6.950 5.032 633 HB3 LYS 98 HB3 LYS 98 14.642 -5.857 3.235 634 HG3 LYS 98 HG3 LYS 98 16.445 -6.042 1.542 635 HD3 LYS 98 HD3 LYS 98 18.284 -4.961 3.034 636 HE3 LYS 98 HE3 LYS 98 16.173 -3.159 3.562 637 HZ1 LYS 98 HZ1 LYS 98 17.647 -3.331 1.025 638 HZ2 LYS 98 HZ2 LYS 98 18.305 -2.696 2.386 639 HZ3 LYS 98 HZ3 LYS 98 16.976 -1.985 1.716 640 H THR 99 H THR 99 14.427 -6.098 5.904 641 HA THR 99 HA THR 99 12.080 -7.870 6.534 642 HB THR 99 HB THR 99 12.725 -7.348 9.001 643 HG1 THR 99 HG1 THR 99 15.261 -7.509 8.767 644 HG21 THR 99 HG21 THR 99 14.519 -9.198 7.353 645 HG22 THR 99 HG22 THR 99 12.826 -9.544 7.725 646 HG23 THR 99 HG23 THR 99 13.988 -9.408 9.044 647 H ILE 100 H ILE 100 10.324 -6.846 6.311 648 HA ILE 100 HA ILE 100 10.383 -4.214 5.239 649 HB ILE 100 HB ILE 100 7.935 -5.731 6.052 650 HG13 ILE 100 HG13 ILE 100 7.918 -6.846 3.794 651 HG21 ILE 100 HG21 ILE 100 6.749 -4.660 4.331 652 HG22 ILE 100 HG22 ILE 100 7.688 -3.390 5.122 653 HG23 ILE 100 HG23 ILE 100 8.210 -4.041 3.561 654 HD11 ILE 100 HD11 ILE 100 10.831 -5.869 3.682 655 HD12 ILE 100 HD12 ILE 100 10.167 -7.223 2.726 656 HD13 ILE 100 HD13 ILE 100 9.540 -5.594 2.493 657 H ASN 101 H ASN 101 10.484 -2.500 6.403 658 HA ASN 101 HA ASN 101 9.795 -2.451 9.273 659 HB3 ASN 101 HB3 ASN 101 10.322 0.194 8.577 660 HD21 ASN 101 HD22 ASN 101 11.424 0.780 10.369 661 HD22 ASN 101 HD21 ASN 101 12.753 -0.131 11.038 662 H VAL 102 H VAL 102 8.347 -0.766 10.174 663 HA VAL 102 HA VAL 102 6.138 -0.074 8.426 664 HB VAL 102 HB VAL 102 4.949 -0.054 10.513 665 HG11 VAL 102 HG11 VAL 102 6.283 -2.735 9.994 666 HG12 VAL 102 HG12 VAL 102 4.802 -2.468 10.920 667 HG13 VAL 102 HG13 VAL 102 4.829 -2.083 9.193 668 HG21 VAL 102 HG21 VAL 102 6.701 0.365 12.144 669 HG22 VAL 102 HG22 VAL 102 5.675 -1.024 12.561 670 HG23 VAL 102 HG23 VAL 102 7.300 -1.301 11.903 671 H GLU 103 H GLU 103 5.357 2.045 8.565 672 HA GLU 103 HA GLU 103 5.913 3.886 10.555 673 HB3 GLU 103 HB3 GLU 103 7.544 4.183 7.961 674 HG3 GLU 103 HG3 GLU 103 6.694 6.312 9.922 675 H PHE 104 H PHE 104 4.672 6.026 9.855 676 HA PHE 104 HA PHE 104 3.235 5.732 7.317 677 HB3 PHE 104 HB3 PHE 104 1.658 4.977 8.721 678 HD1 PHE 104 HD1 PHE 104 2.176 8.423 10.124 679 HD2 PHE 104 HD2 PHE 104 0.845 4.408 10.715 680 HE1 PHE 104 HE1 PHE 104 1.663 8.959 12.524 681 HE2 PHE 104 HE2 PHE 104 0.345 4.894 13.106 682 HZ PHE 104 HZ PHE 104 0.734 7.194 14.000 683 H ALA 105 H ALA 105 2.979 7.625 6.117 684 HA ALA 105 HA ALA 105 4.461 9.974 7.193 685 HB1 ALA 105 HB1 ALA 105 4.784 10.693 4.972 686 HB2 ALA 105 HB2 ALA 105 5.194 8.969 4.986 687 HB3 ALA 105 HB3 ALA 105 3.635 9.527 4.306 688 H LYS 106 H LYS 106 2.571 10.416 8.657 689 HA LYS 106 HA LYS 106 0.070 11.293 7.437 690 HB3 LYS 106 HB3 LYS 106 1.417 11.176 10.166 691 HG3 LYS 106 HG3 LYS 106 -0.526 13.041 9.762 692 HD3 LYS 106 HD3 LYS 106 -1.901 10.440 10.564 693 HE3 LYS 106 HE3 LYS 106 -2.667 13.362 10.967 694 HZ1 LYS 106 HZ1 LYS 106 -4.435 11.017 11.267 695 HZ2 LYS 106 HZ2 LYS 106 -4.594 12.206 10.129 696 HZ3 LYS 106 HZ3 LYS 106 -4.775 12.545 11.739 697 H GLY 107 H GLY 107 -0.260 13.367 6.813 698 HA2 GLY 107 HA2 GLY 107 -0.122 15.635 6.766 699 HA3 GLY 107 HA3 GLY 107 1.122 15.605 8.016 700 H SER 108 H SER 108 1.339 17.360 6.036 701 HA SER 108 HA SER 108 4.002 16.702 5.273 702 HB3 SER 108 HB3 SER 108 2.926 16.143 3.164 703 HG SER 108 HG SER 108 1.963 17.820 1.952 704 H LYS 109 H LYS 109 4.734 19.149 4.171 705 HA LYS 109 HA LYS 109 3.566 21.231 5.957 706 HB3 LYS 109 HB3 LYS 109 5.650 22.535 5.215 707 HG3 LYS 109 HG3 LYS 109 5.167 21.709 7.559 708 HD3 LYS 109 HD3 LYS 109 7.316 19.655 6.847 709 HE3 LYS 109 HE3 LYS 109 7.110 18.860 9.110 710 HZ1 LYS 109 HZ1 LYS 109 7.174 21.756 9.525 711 HZ2 LYS 109 HZ2 LYS 109 8.416 21.026 8.711 712 HZ3 LYS 109 HZ3 LYS 109 8.090 20.600 10.257 713 H ARG 110 H ARG 110 2.474 22.818 4.793 714 HA ARG 110 HA ARG 110 2.863 22.982 1.900 715 HB3 ARG 110 HB3 ARG 110 0.019 22.566 2.914 716 HG3 ARG 110 HG3 ARG 110 -0.100 21.415 0.649 717 HD3 ARG 110 HD3 ARG 110 0.296 23.521 -0.772 718 HE ARG 110 HE ARG 110 -1.778 23.080 1.199 719 HH11 ARG 110 HH11 ARG 110 -0.599 25.395 -1.203 720 HH12 ARG 110 HH12 ARG 110 -2.159 25.737 -1.865 721 HH21 ARG 110 HH22 ARG 110 -3.822 23.747 0.591 722 HH22 ARG 110 HH21 ARG 110 -4.094 24.835 -0.749 723 H ASP 111 H ASP 111 3.145 25.117 1.609 724 HA ASP 111 HA ASP 111 2.329 27.119 3.505 725 HB3 ASP 111 HB3 ASP 111 2.890 28.679 1.507 726 H MET 112 H MET 112 0.333 28.014 3.748 727 HA MET 112 HA MET 112 -1.368 28.750 1.558 728 HB3 MET 112 HB3 MET 112 -2.080 26.523 1.527 729 HG3 MET 112 HG3 MET 112 -1.121 25.809 3.789 730 HE1 MET 112 HE1 MET 112 -4.868 26.907 3.804 731 HE2 MET 112 HE2 MET 112 -4.831 25.201 4.297 732 HE3 MET 112 HE3 MET 112 -5.348 26.450 5.448 733 H ALA 113 H ALA 113 -3.210 30.079 2.400 734 HA ALA 113 HA ALA 113 -3.413 30.730 5.188 735 HB1 ALA 113 HB1 ALA 113 -2.216 32.829 3.302 736 HB2 ALA 113 HB2 ALA 113 -2.691 33.087 4.990 737 HB3 ALA 113 HB3 ALA 113 -1.325 32.030 4.614 738 H SER 114 H SER 114 -5.003 32.638 5.393 739 HA SER 114 HA SER 114 -6.440 33.509 3.066 740 HB3 SER 114 HB3 SER 114 -8.488 32.673 4.958 741 HG SER 114 HG SER 114 -8.680 33.145 2.684 742 H ASN 115 H ASN 115 -8.492 34.904 4.191 743 HA ASN 115 HA ASN 115 -7.694 36.265 6.621 744 HB3 ASN 115 HB3 ASN 115 -6.531 37.503 4.655 745 HD21 ASN 115 HD22 ASN 115 -9.189 39.702 4.742 746 HD22 ASN 115 HD21 ASN 115 -9.680 39.475 3.073 747 H GLU 116 H GLU 116 -9.501 38.051 7.014 748 HA GLU 116 HA GLU 116 -11.896 37.901 5.534 749 HB3 GLU 116 HB3 GLU 116 -12.016 37.057 8.476 750 HG3 GLU 116 HG3 GLU 116 -14.174 37.997 7.585 751 H GLY 117 H GLY 117 -13.477 39.576 6.920 752 HA2 GLY 117 HA2 GLY 117 -13.082 40.815 9.130 753 HA3 GLY 117 HA3 GLY 117 -11.775 41.621 8.304 754 H SER 118 H SER 118 -14.431 41.229 6.101 755 HA SER 118 HA SER 118 -14.749 44.002 5.826 756 HB3 SER 118 HB3 SER 118 -15.164 43.017 3.872 757 HG SER 118 HG SER 118 -15.878 40.876 3.631 758 H ARG 119 H ARG 119 -15.331 44.739 7.957 759 HA ARG 119 HA ARG 119 -18.264 44.668 8.443 760 HB3 ARG 119 HB3 ARG 119 -17.161 43.016 9.870 761 HG3 ARG 119 HG3 ARG 119 -15.166 45.052 10.317 762 HD3 ARG 119 HD3 ARG 119 -16.590 45.750 12.240 763 HE ARG 119 HE ARG 119 -16.343 42.889 12.955 764 HH11 ARG 119 HH11 ARG 119 -17.480 46.088 13.913 765 HH12 ARG 119 HH12 ARG 119 -18.392 45.556 15.280 766 HH21 ARG 119 HH22 ARG 119 -17.552 42.103 14.751 767 HH22 ARG 119 HH21 ARG 119 -18.458 43.181 15.738 768 H ILE 120 H ILE 120 -16.704 46.859 7.180 769 HA ILE 120 HA ILE 120 -17.152 48.999 9.195 770 HB ILE 120 HB ILE 120 -15.050 48.984 6.981 771 HG13 ILE 120 HG13 ILE 120 -14.854 48.116 9.861 772 HG21 ILE 120 HG21 ILE 120 -15.796 51.246 7.532 773 HG22 ILE 120 HG22 ILE 120 -15.546 50.939 9.269 774 HG23 ILE 120 HG23 ILE 120 -14.174 50.994 8.142 775 HD11 ILE 120 HD11 ILE 120 -12.960 46.786 9.006 776 HD12 ILE 120 HD12 ILE 120 -14.376 46.481 7.988 777 HD13 ILE 120 HD13 ILE 120 -13.092 47.566 7.421 778 H SER 121 H SER 121 -18.151 50.920 8.296 779 HA SER 121 HA SER 121 -18.659 51.028 5.447 780 HB3 SER 121 HB3 SER 121 -20.983 51.437 7.363 781 HG SER 121 HG SER 121 -21.078 50.679 4.648 782 H ALA 122 H ALA 122 -17.730 52.998 5.037 783 HA ALA 122 HA ALA 122 -18.559 55.392 6.251 784 HB1 ALA 122 HB1 ALA 122 -16.907 54.775 8.022 785 HB2 ALA 122 HB2 ALA 122 -15.663 54.522 6.775 786 HB3 ALA 122 HB3 ALA 122 -16.321 56.146 7.070 787 H ALA 123 H ALA 123 -17.082 57.189 5.122 788 HA ALA 123 HA ALA 123 -15.447 56.246 2.939 789 HB1 ALA 123 HB1 ALA 123 -17.547 56.291 1.707 790 HB2 ALA 123 HB2 ALA 123 -17.911 57.933 2.272 791 HB3 ALA 123 HB3 ALA 123 -16.532 57.645 1.182 792 H SER 124 H SER 124 -16.974 59.483 3.201 793 HA SER 124 HA SER 124 -15.120 60.699 4.967 794 HB3 SER 124 HB3 SER 124 -14.181 62.259 3.150 795 HG SER 124 HG SER 124 -13.445 59.567 3.482 796 H VAL 125 H VAL 125 -15.589 63.278 4.689 797 HA VAL 125 HA VAL 125 -17.971 63.933 3.272 798 HB VAL 125 HB VAL 125 -18.914 63.036 5.377 799 HG11 VAL 125 HG11 VAL 125 -18.582 64.138 7.536 800 HG12 VAL 125 HG12 VAL 125 -17.062 63.460 6.944 801 HG13 VAL 125 HG13 VAL 125 -17.354 65.207 6.833 802 HG21 VAL 125 HG21 VAL 125 -20.376 64.845 5.934 803 HG22 VAL 125 HG22 VAL 125 -19.245 66.055 5.308 804 HG23 VAL 125 HG23 VAL 125 -20.044 64.910 4.199 805 H ALA 126 H ALA 126 -18.139 66.377 3.331 806 HA ALA 126 HA ALA 126 -15.986 67.901 4.478 807 HB1 ALA 126 HB1 ALA 126 -14.936 67.225 2.318 808 HB2 ALA 126 HB2 ALA 126 -16.348 67.855 1.439 809 HB3 ALA 126 HB3 ALA 126 -15.290 68.958 2.351 810 H SER 127 H SER 127 -16.504 70.299 3.973 811 HA SER 127 HA SER 127 -19.265 70.836 3.088 812 HB3 SER 127 HB3 SER 127 -19.879 72.033 5.086 813 HG SER 127 HG SER 127 -19.680 69.506 5.006 814 H THR 128 H THR 128 -16.372 71.325 2.238 815 HA THR 128 HA THR 128 -16.192 74.280 2.389 816 HB THR 128 HB THR 128 -13.690 73.668 2.578 817 HG1 THR 128 HG1 THR 128 -13.862 71.511 2.035 818 HG21 THR 128 HG21 THR 128 -15.009 74.502 4.515 819 HG22 THR 128 HG22 THR 128 -13.788 73.311 4.998 820 HG23 THR 128 HG23 THR 128 -15.495 72.837 4.900 821 H ALA 129 H ALA 129 -16.567 74.968 0.307 822 HA ALA 129 HA ALA 129 -14.914 73.822 -1.843 823 HB1 ALA 129 HB1 ALA 129 -17.891 74.479 -2.052 824 HB2 ALA 129 HB2 ALA 129 -16.814 74.097 -3.410 825 HB3 ALA 129 HB3 ALA 129 -17.160 72.860 -2.181 826 H ILE 130 H ILE 130 -13.538 75.522 -2.194 827 HA ILE 130 HA ILE 130 -14.501 78.101 -2.861 828 HB ILE 130 HB ILE 130 -14.497 78.293 -0.394 829 HG13 ILE 130 HG13 ILE 130 -12.143 79.884 -1.467 830 HG21 ILE 130 HG21 ILE 130 -12.454 78.115 0.949 831 HG22 ILE 130 HG22 ILE 130 -12.840 76.565 0.190 832 HG23 ILE 130 HG23 ILE 130 -11.542 77.580 -0.475 833 HD11 ILE 130 HD11 ILE 130 -14.110 80.331 -2.903 834 HD12 ILE 130 HD12 ILE 130 -15.131 80.529 -1.455 835 HD13 ILE 130 HD13 ILE 130 -13.828 81.685 -1.804 836 H ALA 131 H ALA 131 -12.377 79.420 -3.553 837 HA ALA 131 HA ALA 131 -9.980 77.960 -3.893 838 HB1 ALA 131 HB1 ALA 131 -11.491 79.074 -6.308 839 HB2 ALA 131 HB2 ALA 131 -9.804 78.531 -6.297 840 HB3 ALA 131 HB3 ALA 131 -11.112 77.350 -6.033 Start of MODEL 10 1 H1 GLN 1 H1 GLN 1 -4.288 67.302 36.849 2 HA GLN 1 HA GLN 1 -6.550 67.085 36.009 3 HB3 GLN 1 HB3 GLN 1 -7.659 67.467 38.204 4 HG3 GLN 1 HG3 GLN 1 -8.667 69.740 38.538 5 HE21 GLN 1 HE22 GLN 1 -8.126 70.621 40.601 6 HE22 GLN 1 HE21 GLN 1 -6.555 70.359 41.316 7 H ALA 2 H ALA 2 -4.128 69.641 36.418 8 HA ALA 2 HA ALA 2 -5.252 71.173 34.179 9 HB1 ALA 2 HB1 ALA 2 -3.158 72.449 34.447 10 HB2 ALA 2 HB2 ALA 2 -4.040 72.354 35.984 11 HB3 ALA 2 HB3 ALA 2 -2.607 71.334 35.708 12 H GLN 3 H GLN 3 -5.438 69.205 32.859 13 HA GLN 3 HA GLN 3 -4.789 67.421 31.629 14 HB3 GLN 3 HB3 GLN 3 -2.877 67.647 30.096 15 HG3 GLN 3 HG3 GLN 3 -4.380 70.281 30.288 16 HE21 GLN 3 HE22 GLN 3 -4.884 68.972 27.265 17 HE22 GLN 3 HE21 GLN 3 -3.485 69.701 26.488 18 H GLY 4 H GLY 4 -1.991 66.430 31.247 19 HA2 GLY 4 HA2 GLY 4 -0.574 66.012 33.569 20 HA3 GLY 4 HA3 GLY 4 -1.635 64.595 33.313 21 H VAL 5 H VAL 5 0.817 63.740 32.938 22 HA VAL 5 HA VAL 5 1.419 63.830 30.056 23 HB VAL 5 HB VAL 5 3.203 62.175 30.709 24 HG11 VAL 5 HG11 VAL 5 3.454 64.970 31.901 25 HG12 VAL 5 HG12 VAL 5 4.792 63.898 31.433 26 HG13 VAL 5 HG13 VAL 5 3.697 64.531 30.198 27 HG21 VAL 5 HG21 VAL 5 2.762 63.166 33.568 28 HG22 VAL 5 HG22 VAL 5 2.392 61.526 32.982 29 HG23 VAL 5 HG23 VAL 5 4.058 62.107 32.987 30 H LEU 6 H LEU 6 0.670 62.174 28.853 31 HA LEU 6 HA LEU 6 -0.544 59.787 30.125 32 HB3 LEU 6 HB3 LEU 6 -2.361 59.853 28.438 33 HG LEU 6 HG LEU 6 -2.536 60.915 30.906 34 HD11 LEU 6 HD11 LEU 6 -3.516 63.160 30.852 35 HD12 LEU 6 HD12 LEU 6 -3.296 63.250 29.088 36 HD13 LEU 6 HD13 LEU 6 -1.893 63.218 30.158 37 HD21 LEU 6 HD21 LEU 6 -4.338 59.729 29.734 38 HD22 LEU 6 HD22 LEU 6 -4.681 61.172 28.756 39 HD23 LEU 6 HD23 LEU 6 -4.958 61.188 30.514 40 H ALA 7 H ALA 7 1.183 58.480 29.449 41 HA ALA 7 HA ALA 7 1.199 57.790 26.653 42 HB1 ALA 7 HB1 ALA 7 3.670 57.957 26.417 43 HB2 ALA 7 HB2 ALA 7 2.962 59.561 26.673 44 HB3 ALA 7 HB3 ALA 7 3.782 58.725 28.015 45 H SER 8 H SER 8 2.522 55.753 26.382 46 HA SER 8 HA SER 8 3.379 54.186 28.552 47 HB3 SER 8 HB3 SER 8 0.624 53.543 27.393 48 HG SER 8 HG SER 8 0.720 51.940 29.113 49 H GLN 9 H GLN 9 3.294 51.732 27.451 50 HA GLN 9 HA GLN 9 3.618 51.821 24.550 51 HB3 GLN 9 HB3 GLN 9 5.743 50.726 26.456 52 HG3 GLN 9 HG3 GLN 9 5.606 49.259 24.487 53 HE21 GLN 9 HE22 GLN 9 4.703 49.103 22.345 54 HE22 GLN 9 HE21 GLN 9 4.839 50.454 21.228 55 H ALA 10 H ALA 10 3.146 49.682 23.683 56 HA ALA 10 HA ALA 10 2.397 47.554 25.556 57 HB1 ALA 10 HB1 ALA 10 0.464 48.671 23.469 58 HB2 ALA 10 HB2 ALA 10 0.191 47.239 24.484 59 HB3 ALA 10 HB3 ALA 10 0.296 48.843 25.234 60 H LEU 11 H LEU 11 1.695 45.570 24.085 61 HA LEU 11 HA LEU 11 2.915 45.454 21.480 62 HB3 LEU 11 HB3 LEU 11 4.771 44.922 23.034 63 HG LEU 11 HG LEU 11 5.085 42.905 24.140 64 HD11 LEU 11 HD11 LEU 11 3.691 42.968 26.081 65 HD12 LEU 11 HD12 LEU 11 2.405 43.825 25.218 66 HD13 LEU 11 HD13 LEU 11 3.971 44.624 25.522 67 HD21 LEU 11 HD21 LEU 11 2.268 41.890 23.666 68 HD22 LEU 11 HD22 LEU 11 3.654 41.053 24.367 69 HD23 LEU 11 HD23 LEU 11 3.669 41.449 22.648 70 H SER 12 H SER 12 2.358 43.128 20.564 71 HA SER 12 HA SER 12 0.441 41.613 22.037 72 HB3 SER 12 HB3 SER 12 -1.282 42.928 21.147 73 HG SER 12 HG SER 12 -0.099 44.148 19.688 74 H GLN 13 H GLN 13 0.355 39.438 21.135 75 HA GLN 13 HA GLN 13 1.928 38.822 18.776 76 HB3 GLN 13 HB3 GLN 13 3.761 39.090 20.280 77 HG3 GLN 13 HG3 GLN 13 2.137 38.226 22.432 78 HE21 GLN 13 HE22 GLN 13 1.724 36.141 23.245 79 HE22 GLN 13 HE21 GLN 13 2.861 34.805 23.159 80 H GLY 14 H GLY 14 0.411 37.488 17.811 81 HA2 GLY 14 HA2 GLY 14 -0.396 35.029 19.135 82 HA3 GLY 14 HA3 GLY 14 -1.668 36.256 19.097 83 H SER 15 H SER 15 0.458 34.201 17.099 84 HA SER 15 HA SER 15 -1.715 33.881 15.246 85 HB3 SER 15 HB3 SER 15 -0.935 35.694 14.037 86 HG SER 15 HG SER 15 1.695 34.881 14.718 87 H GLU 16 H GLU 16 -1.687 31.817 14.574 88 HA GLU 16 HA GLU 16 0.678 30.270 14.168 89 HB3 GLU 16 HB3 GLU 16 -0.387 28.381 15.731 90 HG3 GLU 16 HG3 GLU 16 1.166 30.577 17.121 91 HA PRO 17 HA PRO 17 -2.199 28.496 11.305 92 HB3 PRO 17 HB3 PRO 17 -0.323 27.505 10.372 93 HG3 PRO 17 HG3 PRO 17 1.302 26.355 11.729 94 HD3 PRO 17 HD3 PRO 17 1.144 28.604 12.449 95 H SER 18 H SER 18 -3.634 26.476 10.837 96 HA SER 18 HA SER 18 -3.956 24.612 12.953 97 HB3 SER 18 HB3 SER 18 -5.299 26.235 14.074 98 HG SER 18 HG SER 18 -7.452 26.531 12.988 99 H SER 19 H SER 19 -4.487 25.418 9.636 100 HA SER 19 HA SER 19 -5.776 22.778 9.255 101 HB3 SER 19 HB3 SER 19 -6.761 25.245 7.781 102 HG SER 19 HG SER 19 -8.643 23.745 7.726 103 H GLU 20 H GLU 20 -4.990 21.642 7.641 104 HA GLU 20 HA GLU 20 -3.121 22.704 5.636 105 HB3 GLU 20 HB3 GLU 20 -1.528 22.280 7.289 106 HG3 GLU 20 HG3 GLU 20 -3.443 20.280 8.374 107 H ASN 21 H ASN 21 -3.223 21.384 3.754 108 HA ASN 21 HA ASN 21 -5.267 19.240 3.765 109 HB3 ASN 21 HB3 ASN 21 -3.375 19.717 1.450 110 HD21 ASN 21 HD22 ASN 21 -3.814 17.278 1.183 111 HD22 ASN 21 HD21 ASN 21 -5.418 16.783 0.711 112 H ALA 22 H ALA 22 -4.736 17.130 4.350 113 HA ALA 22 HA ALA 22 -2.065 16.122 3.741 114 HB1 ALA 22 HB1 ALA 22 -1.740 15.275 6.021 115 HB2 ALA 22 HB2 ALA 22 -1.853 17.044 6.060 116 HB3 ALA 22 HB3 ALA 22 -3.235 16.036 6.552 117 H ASN 23 H ASN 23 -2.104 13.682 4.412 118 HA ASN 23 HA ASN 23 -4.750 12.499 4.436 119 HB3 ASN 23 HB3 ASN 23 -2.604 11.675 2.427 120 HD21 ASN 23 HD22 ASN 23 -5.892 10.986 3.873 121 HD22 ASN 23 HD21 ASN 23 -5.983 9.446 3.086 122 H ASP 24 H ASP 24 -4.418 10.065 5.105 123 HA ASP 24 HA ASP 24 -2.200 9.957 7.110 124 HB3 ASP 24 HB3 ASP 24 -3.662 8.321 8.216 125 H THR 25 H THR 25 -0.617 8.797 6.169 126 HA THR 25 HA THR 25 -1.340 6.616 4.264 127 HB THR 25 HB THR 25 0.955 8.567 3.959 128 HG1 THR 25 HG1 THR 25 -0.229 10.015 3.114 129 HG21 THR 25 HG21 THR 25 0.745 7.974 1.574 130 HG22 THR 25 HG22 THR 25 -0.669 6.957 1.943 131 HG23 THR 25 HG23 THR 25 0.942 6.515 2.554 132 H ILE 26 H ILE 26 0.258 4.925 4.089 133 HA ILE 26 HA ILE 26 2.214 4.836 6.338 134 HB ILE 26 HB ILE 26 0.443 2.692 5.170 135 HG13 ILE 26 HG13 ILE 26 -0.354 4.368 7.055 136 HG21 ILE 26 HG21 ILE 26 2.695 2.333 7.207 137 HG22 ILE 26 HG22 ILE 26 1.520 1.092 6.740 138 HG23 ILE 26 HG23 ILE 26 2.666 1.682 5.557 139 HD11 ILE 26 HD11 ILE 26 -0.615 1.362 7.397 140 HD12 ILE 26 HD12 ILE 26 -1.667 2.604 8.098 141 HD13 ILE 26 HD13 ILE 26 -1.610 2.390 6.340 142 H ILE 27 H ILE 27 4.164 4.052 5.865 143 HA ILE 27 HA ILE 27 4.957 3.581 3.027 144 HB ILE 27 HB ILE 27 5.474 5.913 4.146 145 HG13 ILE 27 HG13 ILE 27 7.499 4.272 2.576 146 HG21 ILE 27 HG21 ILE 27 7.311 6.195 5.495 147 HG22 ILE 27 HG22 ILE 27 6.611 4.724 6.201 148 HG23 ILE 27 HG23 ILE 27 7.999 4.586 5.136 149 HD11 ILE 27 HD11 ILE 27 5.828 6.768 2.050 150 HD12 ILE 27 HD12 ILE 27 6.943 6.047 0.881 151 HD13 ILE 27 HD13 ILE 27 5.511 5.138 1.401 152 H LEU 28 H LEU 28 6.800 2.222 2.792 153 HA LEU 28 HA LEU 28 7.291 0.340 5.087 154 HB3 LEU 28 HB3 LEU 28 7.619 -1.332 3.254 155 HG LEU 28 HG LEU 28 4.973 -0.024 3.783 156 HD11 LEU 28 HD11 LEU 28 4.857 0.005 1.370 157 HD12 LEU 28 HD12 LEU 28 3.828 -1.285 1.986 158 HD13 LEU 28 HD13 LEU 28 5.391 -1.700 1.288 159 HD21 LEU 28 HD21 LEU 28 4.288 -2.294 4.244 160 HD22 LEU 28 HD22 LEU 28 5.849 -2.010 5.016 161 HD23 LEU 28 HD23 LEU 28 5.775 -2.937 3.507 162 H ARG 29 H ARG 29 9.480 0.056 5.575 163 HA ARG 29 HA ARG 29 11.477 1.270 3.706 164 HB3 ARG 29 HB3 ARG 29 12.804 1.894 5.723 165 HG3 ARG 29 HG3 ARG 29 10.023 3.066 5.955 166 HD3 ARG 29 HD3 ARG 29 12.718 4.464 6.125 167 HE ARG 29 HE ARG 29 10.631 5.372 7.806 168 HH11 ARG 29 HH11 ARG 29 11.923 5.961 4.521 169 HH12 ARG 29 HH12 ARG 29 10.961 7.348 4.250 170 HH21 ARG 29 HH22 ARG 29 9.599 7.320 7.536 171 HH22 ARG 29 HH21 ARG 29 9.705 8.224 6.060 172 H ASN 30 H ASN 30 13.562 0.425 3.861 173 HA ASN 30 HA ASN 30 15.268 -1.056 4.005 174 HB3 ASN 30 HB3 ASN 30 13.638 -2.732 5.874 175 HD21 ASN 30 HD22 ASN 30 14.807 -4.454 6.736 176 HD22 ASN 30 HD21 ASN 30 16.539 -4.716 6.508 177 H LEU 31 H LEU 31 12.874 -1.322 2.210 178 HA LEU 31 HA LEU 31 12.695 -4.165 1.596 179 HB3 LEU 31 HB3 LEU 31 11.509 -3.444 -0.472 180 HG LEU 31 HG LEU 31 10.289 -3.417 1.789 181 HD11 LEU 31 HD11 LEU 31 9.513 -0.748 1.858 182 HD12 LEU 31 HD12 LEU 31 11.275 -0.736 1.666 183 HD13 LEU 31 HD13 LEU 31 10.520 -1.665 2.983 184 HD21 LEU 31 HD21 LEU 31 9.218 -1.574 -0.376 185 HD22 LEU 31 HD22 LEU 31 8.258 -2.433 0.842 186 HD23 LEU 31 HD23 LEU 31 9.101 -3.359 -0.416 187 H ASN 32 H ASN 32 13.099 -4.523 -0.892 188 HA ASN 32 HA ASN 32 15.713 -3.306 -1.656 189 HB3 ASN 32 HB3 ASN 32 15.831 -6.135 -2.283 190 HD21 ASN 32 HD22 ASN 32 17.862 -7.073 -1.419 191 HD22 ASN 32 HD21 ASN 32 19.159 -5.999 -1.037 192 HA PRO 33 HA PRO 33 14.300 -2.746 -5.470 193 HB3 PRO 33 HB3 PRO 33 16.281 -2.035 -6.400 194 HG3 PRO 33 HG3 PRO 33 18.307 -3.072 -5.643 195 HD3 PRO 33 HD3 PRO 33 17.158 -2.800 -3.579 196 H HIS 34 H HIS 34 15.437 -6.078 -5.148 197 HA HIS 34 HA HIS 34 13.735 -6.939 -7.365 198 HB3 HIS 34 HB3 HIS 34 14.655 -9.203 -6.654 199 HD1 HIS 34 HD1 HIS 34 15.221 -8.545 -9.321 200 HD2 HIS 34 HD2 HIS 34 17.839 -7.090 -6.348 201 HE1 HIS 34 HE1 HIS 34 17.306 -7.706 -10.520 202 H SER 35 H SER 35 12.878 -5.902 -4.325 203 HA SER 35 HA SER 35 11.630 -8.153 -3.257 204 HB3 SER 35 HB3 SER 35 10.888 -5.320 -2.646 205 HG SER 35 HG SER 35 10.695 -7.837 -1.305 206 H THR 36 H THR 36 9.169 -8.152 -3.028 207 HA THR 36 HA THR 36 7.657 -7.156 -5.398 208 HB THR 36 HB THR 36 6.458 -9.542 -5.034 209 HG1 THR 36 HG1 THR 36 8.009 -11.132 -4.595 210 HG21 THR 36 HG21 THR 36 9.055 -9.216 -6.603 211 HG22 THR 36 HG22 THR 36 7.445 -8.666 -7.134 212 HG23 THR 36 HG23 THR 36 7.763 -10.398 -6.908 213 H MET 37 H MET 37 5.423 -6.783 -5.064 214 HA MET 37 HA MET 37 4.880 -5.563 -2.624 215 HB3 MET 37 HB3 MET 37 3.979 -5.246 -5.009 216 HG3 MET 37 HG3 MET 37 1.703 -6.990 -4.063 217 HE1 MET 37 HE1 MET 37 0.198 -4.913 -4.753 218 HE2 MET 37 HE2 MET 37 1.609 -3.941 -5.215 219 HE3 MET 37 HE3 MET 37 0.245 -4.124 -6.343 220 H ASP 38 H ASP 38 4.349 -8.877 -3.551 221 HA ASP 38 HA ASP 38 2.096 -9.424 -1.968 222 HB3 ASP 38 HB3 ASP 38 2.579 -11.767 -2.503 223 H SER 39 H SER 39 5.392 -8.986 -1.000 224 HA SER 39 HA SER 39 5.469 -10.455 1.431 225 HB3 SER 39 HB3 SER 39 7.455 -9.343 0.609 226 HG SER 39 HG SER 39 7.553 -7.034 0.758 227 H ILE 40 H ILE 40 4.406 -7.138 0.771 228 HA ILE 40 HA ILE 40 3.339 -6.562 3.330 229 HB ILE 40 HB ILE 40 2.608 -5.417 0.613 230 HG13 ILE 40 HG13 ILE 40 5.057 -5.135 2.260 231 HG21 ILE 40 HG21 ILE 40 0.997 -4.765 2.383 232 HG22 ILE 40 HG22 ILE 40 2.347 -4.153 3.367 233 HG23 ILE 40 HG23 ILE 40 1.942 -3.392 1.811 234 HD11 ILE 40 HD11 ILE 40 5.990 -4.158 0.226 235 HD12 ILE 40 HD12 ILE 40 5.071 -5.606 -0.227 236 HD13 ILE 40 HD13 ILE 40 4.376 -3.996 -0.494 237 H LEU 41 H LEU 41 1.665 -7.522 0.273 238 HA LEU 41 HA LEU 41 -0.925 -7.442 1.387 239 HB3 LEU 41 HB3 LEU 41 -1.564 -9.048 -0.474 240 HG LEU 41 HG LEU 41 0.084 -6.601 -1.243 241 HD11 LEU 41 HD11 LEU 41 -1.166 -6.673 -3.355 242 HD12 LEU 41 HD12 LEU 41 -2.017 -8.132 -2.803 243 HD13 LEU 41 HD13 LEU 41 -0.268 -8.185 -3.110 244 HD21 LEU 41 HD21 LEU 41 -1.761 -5.876 0.158 245 HD22 LEU 41 HD22 LEU 41 -2.897 -6.981 -0.655 246 HD23 LEU 41 HD23 LEU 41 -2.250 -5.568 -1.507 247 H GLY 42 H GLY 42 1.098 -10.426 0.953 248 HA2 GLY 42 HA2 GLY 42 -0.772 -12.066 2.314 249 HA3 GLY 42 HA3 GLY 42 0.930 -12.429 2.037 250 H ALA 43 H ALA 43 1.606 -9.819 3.658 251 HA ALA 43 HA ALA 43 1.788 -11.135 6.248 252 HB1 ALA 43 HB1 ALA 43 2.822 -9.048 6.999 253 HB2 ALA 43 HB2 ALA 43 3.524 -9.559 5.463 254 HB3 ALA 43 HB3 ALA 43 2.362 -8.231 5.488 255 H LEU 44 H LEU 44 -0.095 -8.436 4.838 256 HA LEU 44 HA LEU 44 -1.430 -7.978 7.452 257 HB3 LEU 44 HB3 LEU 44 -2.220 -5.886 6.243 258 HG LEU 44 HG LEU 44 -0.628 -4.758 7.147 259 HD11 LEU 44 HD11 LEU 44 -0.058 -6.694 8.545 260 HD12 LEU 44 HD12 LEU 44 1.350 -5.693 8.226 261 HD13 LEU 44 HD13 LEU 44 1.159 -7.207 7.351 262 HD21 LEU 44 HD21 LEU 44 1.545 -4.386 6.143 263 HD22 LEU 44 HD22 LEU 44 0.309 -4.509 4.879 264 HD23 LEU 44 HD23 LEU 44 1.397 -5.876 5.199 265 H ALA 45 H ALA 45 -2.163 -9.481 4.482 266 HA ALA 45 HA ALA 45 -4.525 -8.967 3.627 267 HB1 ALA 45 HB1 ALA 45 -3.449 -11.732 4.235 268 HB2 ALA 45 HB2 ALA 45 -4.920 -11.440 3.293 269 HB3 ALA 45 HB3 ALA 45 -3.374 -10.810 2.728 270 HA PRO 46 HA PRO 46 -7.403 -11.036 6.674 271 HB3 PRO 46 HB3 PRO 46 -6.528 -12.950 7.742 272 HG3 PRO 46 HG3 PRO 46 -4.249 -12.993 8.436 273 HD3 PRO 46 HD3 PRO 46 -4.301 -12.386 6.147 274 H TYR 47 H TYR 47 -5.160 -8.699 7.725 275 HA TYR 47 HA TYR 47 -6.917 -7.703 9.906 276 HB3 TYR 47 HB3 TYR 47 -4.944 -6.666 10.741 277 HD1 TYR 47 HD1 TYR 47 -6.104 -9.302 11.395 278 HD2 TYR 47 HD2 TYR 47 -2.233 -8.330 9.752 279 HE1 TYR 47 HE1 TYR 47 -5.196 -11.393 12.322 280 HE2 TYR 47 HE2 TYR 47 -1.280 -10.383 10.774 281 HH TYR 47 HH TYR 47 -2.954 -12.225 13.146 282 H ALA 48 H ALA 48 -6.683 -7.283 6.727 283 HA ALA 48 HA ALA 48 -7.128 -4.326 6.845 284 HB1 ALA 48 HB1 ALA 48 -4.788 -4.848 6.065 285 HB2 ALA 48 HB2 ALA 48 -5.500 -5.715 4.683 286 HB3 ALA 48 HB3 ALA 48 -5.782 -3.962 4.911 287 H VAL 49 H VAL 49 -8.177 -3.664 4.576 288 HA VAL 49 HA VAL 49 -9.473 -5.851 3.200 289 HB VAL 49 HB VAL 49 -11.004 -5.324 4.901 290 HG11 VAL 49 HG11 VAL 49 -11.281 -2.505 3.897 291 HG12 VAL 49 HG12 VAL 49 -12.208 -3.302 5.178 292 HG13 VAL 49 HG13 VAL 49 -10.477 -3.005 5.389 293 HG21 VAL 49 HG21 VAL 49 -12.006 -4.344 2.201 294 HG22 VAL 49 HG22 VAL 49 -11.755 -6.045 2.648 295 HG23 VAL 49 HG23 VAL 49 -12.983 -5.090 3.492 296 H LEU 50 H LEU 50 -7.752 -5.373 1.822 297 HA LEU 50 HA LEU 50 -8.101 -3.004 0.137 298 HB3 LEU 50 HB3 LEU 50 -6.708 -2.113 1.844 299 HG LEU 50 HG LEU 50 -5.578 -4.163 2.732 300 HD11 LEU 50 HD11 LEU 50 -4.780 -5.369 0.820 301 HD12 LEU 50 HD12 LEU 50 -3.394 -4.810 1.724 302 HD13 LEU 50 HD13 LEU 50 -3.863 -3.952 0.231 303 HD21 LEU 50 HD21 LEU 50 -4.848 -1.890 3.272 304 HD22 LEU 50 HD22 LEU 50 -3.803 -1.854 1.834 305 HD23 LEU 50 HD23 LEU 50 -3.451 -2.966 3.182 306 H SER 51 H SER 51 -6.204 -3.017 -1.560 307 HA SER 51 HA SER 51 -5.789 -5.772 -2.546 308 HB3 SER 51 HB3 SER 51 -6.892 -3.654 -4.395 309 HG SER 51 HG SER 51 -7.429 -6.434 -4.077 310 H SER 52 H SER 52 -4.572 -5.442 -4.844 311 HA SER 52 HA SER 52 -2.010 -4.521 -4.158 312 HB3 SER 52 HB3 SER 52 -2.039 -6.254 -5.696 313 HG SER 52 HG SER 52 -3.525 -6.470 -7.328 314 H SER 53 H SER 53 -4.683 -2.757 -5.623 315 HA SER 53 HA SER 53 -3.344 -0.569 -6.773 316 HB3 SER 53 HB3 SER 53 -5.434 0.637 -6.149 317 HG SER 53 HG SER 53 -6.849 -0.787 -7.164 318 H ASN 54 H ASN 54 -4.156 -1.184 -3.372 319 HA ASN 54 HA ASN 54 -3.598 1.415 -2.360 320 HB3 ASN 54 HB3 ASN 54 -3.564 0.250 -0.157 321 HD21 ASN 54 HD22 ASN 54 -5.494 1.239 0.350 322 HD22 ASN 54 HD21 ASN 54 -7.025 0.605 -0.157 323 H VAL 55 H VAL 55 -1.702 -1.556 -2.565 324 HA VAL 55 HA VAL 55 0.597 -0.472 -1.154 325 HB VAL 55 HB VAL 55 -0.232 -2.616 -0.535 326 HG11 VAL 55 HG11 VAL 55 -1.399 -3.511 -2.238 327 HG12 VAL 55 HG12 VAL 55 -0.117 -3.269 -3.422 328 HG13 VAL 55 HG13 VAL 55 0.043 -4.550 -2.205 329 HG21 VAL 55 HG21 VAL 55 2.407 -2.931 -2.025 330 HG22 VAL 55 HG22 VAL 55 2.208 -2.167 -0.437 331 HG23 VAL 55 HG23 VAL 55 1.815 -3.895 -0.676 332 H ARG 56 H ARG 56 1.144 1.110 -2.622 333 HA ARG 56 HA ARG 56 1.848 0.342 -5.385 334 HB3 ARG 56 HB3 ARG 56 2.412 3.062 -4.205 335 HG3 ARG 56 HG3 ARG 56 3.292 2.307 -6.541 336 HD3 ARG 56 HD3 ARG 56 1.283 3.007 -8.202 337 HE ARG 56 HE ARG 56 2.545 0.587 -7.880 338 HH11 ARG 56 HH11 ARG 56 -0.834 1.528 -8.769 339 HH12 ARG 56 HH12 ARG 56 -1.085 -0.044 -9.493 340 HH21 ARG 56 HH22 ARG 56 2.102 -1.313 -9.083 341 HH22 ARG 56 HH21 ARG 56 0.482 -1.556 -9.683 342 H VAL 57 H VAL 57 3.616 -0.907 -5.524 343 HA VAL 57 HA VAL 57 6.112 -0.324 -4.154 344 HB VAL 57 HB VAL 57 5.482 -1.932 -6.661 345 HG11 VAL 57 HG11 VAL 57 7.823 -1.202 -6.721 346 HG12 VAL 57 HG12 VAL 57 8.061 -1.720 -5.043 347 HG13 VAL 57 HG13 VAL 57 7.744 -2.914 -6.324 348 HG21 VAL 57 HG21 VAL 57 4.493 -2.922 -4.635 349 HG22 VAL 57 HG22 VAL 57 5.881 -3.877 -5.163 350 HG23 VAL 57 HG23 VAL 57 6.045 -2.777 -3.776 351 H ILE 58 H ILE 58 7.162 1.543 -4.509 352 HA ILE 58 HA ILE 58 6.934 2.947 -7.097 353 HB ILE 58 HB ILE 58 8.689 3.639 -4.699 354 HG13 ILE 58 HG13 ILE 58 6.956 5.326 -4.067 355 HG21 ILE 58 HG21 ILE 58 9.385 4.765 -6.739 356 HG22 ILE 58 HG22 ILE 58 7.733 5.337 -7.040 357 HG23 ILE 58 HG23 ILE 58 8.653 5.924 -5.648 358 HD11 ILE 58 HD11 ILE 58 5.601 5.497 -6.121 359 HD12 ILE 58 HD12 ILE 58 5.089 3.807 -5.936 360 HD13 ILE 58 HD13 ILE 58 4.610 5.013 -4.736 361 H LYS 59 H LYS 59 8.699 3.153 -8.525 362 HA LYS 59 HA LYS 59 10.970 1.287 -8.150 363 HB3 LYS 59 HB3 LYS 59 10.704 0.538 -10.479 364 HG3 LYS 59 HG3 LYS 59 8.242 0.139 -8.716 365 HD3 LYS 59 HD3 LYS 59 7.186 -0.266 -10.653 366 HE3 LYS 59 HE3 LYS 59 9.566 -1.776 -11.776 367 HZ1 LYS 59 HZ1 LYS 59 7.581 -2.511 -12.800 368 HZ2 LYS 59 HZ2 LYS 59 8.235 -1.459 -13.863 369 HZ3 LYS 59 HZ3 LYS 59 6.964 -0.992 -12.952 370 H ASP 60 H ASP 60 12.704 1.817 -9.811 371 HA ASP 60 HA ASP 60 13.177 4.691 -9.936 372 HB3 ASP 60 HB3 ASP 60 14.667 2.665 -11.590 373 H LYS 61 H LYS 61 14.106 5.306 -12.396 374 HA LYS 61 HA LYS 61 11.864 5.013 -14.294 375 HB3 LYS 61 HB3 LYS 61 14.004 7.062 -13.702 376 HG3 LYS 61 HG3 LYS 61 13.993 6.925 -16.134 377 HD3 LYS 61 HD3 LYS 61 10.994 7.268 -15.862 378 HE3 LYS 61 HE3 LYS 61 12.991 7.487 -18.166 379 HZ1 LYS 61 HZ1 LYS 61 11.232 5.958 -18.835 380 HZ2 LYS 61 HZ2 LYS 61 11.223 7.354 -19.703 381 HZ3 LYS 61 HZ3 LYS 61 10.095 7.116 -18.529 382 H GLN 62 H GLN 62 15.463 4.803 -13.785 383 HA GLN 62 HA GLN 62 15.997 4.191 -16.556 384 HB3 GLN 62 HB3 GLN 62 18.204 3.663 -15.824 385 HG3 GLN 62 HG3 GLN 62 17.342 5.933 -14.031 386 HE21 GLN 62 HE22 GLN 62 19.880 4.556 -16.269 387 HE22 GLN 62 HE21 GLN 62 21.078 5.724 -15.842 388 H THR 63 H THR 63 15.076 2.344 -13.765 389 HA THR 63 HA THR 63 15.287 -0.233 -15.223 390 HB THR 63 HB THR 63 16.009 -1.171 -13.004 391 HG1 THR 63 HG1 THR 63 16.942 1.157 -12.013 392 HG21 THR 63 HG21 THR 63 17.758 -0.669 -14.628 393 HG22 THR 63 HG22 THR 63 18.330 -0.302 -12.994 394 HG23 THR 63 HG23 THR 63 17.840 1.018 -14.081 395 H GLN 64 H GLN 64 14.029 -1.846 -13.635 396 HA GLN 64 HA GLN 64 11.421 -0.585 -12.968 397 HB3 GLN 64 HB3 GLN 64 10.401 -2.655 -13.741 398 HG3 GLN 64 HG3 GLN 64 10.797 -2.722 -16.061 399 HE21 GLN 64 HE22 GLN 64 11.814 0.633 -15.753 400 HE22 GLN 64 HE21 GLN 64 10.210 1.308 -15.798 401 H LEU 65 H LEU 65 13.770 -0.714 -11.346 402 HA LEU 65 HA LEU 65 13.577 -2.946 -9.336 403 HB3 LEU 65 HB3 LEU 65 15.694 -2.103 -8.718 404 HG LEU 65 HG LEU 65 16.042 -2.910 -11.566 405 HD11 LEU 65 HD11 LEU 65 16.486 -4.373 -9.032 406 HD12 LEU 65 HD12 LEU 65 17.630 -3.096 -9.526 407 HD13 LEU 65 HD13 LEU 65 17.437 -4.581 -10.526 408 HD21 LEU 65 HD21 LEU 65 15.256 -5.256 -11.207 409 HD22 LEU 65 HD22 LEU 65 13.890 -4.127 -11.202 410 HD23 LEU 65 HD23 LEU 65 14.542 -4.749 -9.659 411 H ASN 66 H ASN 66 13.426 -2.455 -7.335 412 HA ASN 66 HA ASN 66 11.803 -0.066 -6.790 413 HB3 ASN 66 HB3 ASN 66 11.039 -0.973 -4.863 414 HD21 ASN 66 HD22 ASN 66 11.700 -4.000 -4.488 415 HD22 ASN 66 HD21 ASN 66 10.689 -4.760 -5.718 416 H ARG 67 H ARG 67 12.237 1.565 -5.297 417 HA ARG 67 HA ARG 67 15.054 2.233 -4.982 418 HB3 ARG 67 HB3 ARG 67 14.004 4.391 -4.116 419 HG3 ARG 67 HG3 ARG 67 13.135 3.339 -6.852 420 HD3 ARG 67 HD3 ARG 67 11.652 5.152 -6.067 421 HE ARG 67 HE ARG 67 13.815 6.363 -4.857 422 HH11 ARG 67 HH11 ARG 67 11.886 7.461 -7.669 423 HH12 ARG 67 HH12 ARG 67 11.578 9.009 -6.987 424 HH21 ARG 67 HH22 ARG 67 13.553 8.512 -4.082 425 HH22 ARG 67 HH21 ARG 67 12.726 9.674 -5.070 426 H GLY 68 H GLY 68 13.385 0.108 -3.131 427 HA2 GLY 68 HA2 GLY 68 14.067 -0.678 -1.077 428 HA3 GLY 68 HA3 GLY 68 14.961 0.814 -0.766 429 H PHE 69 H PHE 69 11.683 1.304 -1.805 430 HA PHE 69 HA PHE 69 10.540 1.101 0.859 431 HB3 PHE 69 HB3 PHE 69 11.554 3.429 0.689 432 HD1 PHE 69 HD2 PHE 69 12.145 4.001 -1.799 433 HD2 PHE 69 HD1 PHE 69 8.235 4.524 -0.096 434 HE1 PHE 69 HE2 PHE 69 11.566 5.642 -3.608 435 HE2 PHE 69 HE1 PHE 69 7.677 6.182 -1.844 436 HZ PHE 69 HZ PHE 69 9.343 6.741 -3.609 437 H ALA 70 H ALA 70 8.102 1.842 0.643 438 HA ALA 70 HA ALA 70 6.947 1.846 -1.960 439 HB1 ALA 70 HB1 ALA 70 6.567 -0.658 -0.270 440 HB2 ALA 70 HB2 ALA 70 5.436 -0.183 -1.561 441 HB3 ALA 70 HB3 ALA 70 7.122 -0.563 -1.938 442 H PHE 71 H PHE 71 4.419 1.879 -1.617 443 HA PHE 71 HA PHE 71 3.892 3.676 0.706 444 HB3 PHE 71 HB3 PHE 71 2.359 4.350 -1.620 445 HD1 PHE 71 HD2 PHE 71 2.927 5.639 1.148 446 HD2 PHE 71 HD1 PHE 71 4.739 6.213 -2.746 447 HE1 PHE 71 HE2 PHE 71 3.402 7.954 1.709 448 HE2 PHE 71 HE1 PHE 71 5.258 8.553 -2.132 449 HZ PHE 71 HZ PHE 71 4.589 9.439 0.090 450 H ILE 72 H ILE 72 1.708 3.622 1.529 451 HA ILE 72 HA ILE 72 -0.150 1.622 0.387 452 HB ILE 72 HB ILE 72 0.877 1.931 3.213 453 HG13 ILE 72 HG13 ILE 72 2.037 0.309 1.739 454 HG21 ILE 72 HG21 ILE 72 -1.526 1.988 3.416 455 HG22 ILE 72 HG22 ILE 72 -1.707 0.587 2.321 456 HG23 ILE 72 HG23 ILE 72 -0.996 0.415 3.945 457 HD11 ILE 72 HD11 ILE 72 2.037 -1.580 3.222 458 HD12 ILE 72 HD12 ILE 72 1.831 -0.133 4.213 459 HD13 ILE 72 HD13 ILE 72 0.448 -1.195 3.852 460 H GLN 73 H GLN 73 -2.007 2.653 -0.085 461 HA GLN 73 HA GLN 73 -2.847 5.153 1.329 462 HB3 GLN 73 HB3 GLN 73 -4.817 4.788 -0.431 463 HG3 GLN 73 HG3 GLN 73 -2.061 5.847 -1.129 464 HE21 GLN 73 HE22 GLN 73 -2.048 4.965 -3.311 465 HE22 GLN 73 HE21 GLN 73 -3.123 5.615 -4.535 466 H LEU 74 H LEU 74 -4.518 5.035 2.784 467 HA LEU 74 HA LEU 74 -6.249 2.680 3.105 468 HB3 LEU 74 HB3 LEU 74 -5.698 3.544 5.708 469 HG LEU 74 HG LEU 74 -4.098 1.593 5.989 470 HD11 LEU 74 HD11 LEU 74 -6.965 1.166 5.108 471 HD12 LEU 74 HD12 LEU 74 -6.310 1.401 6.743 472 HD13 LEU 74 HD13 LEU 74 -5.963 -0.089 5.873 473 HD21 LEU 74 HD21 LEU 74 -3.918 -0.092 4.376 474 HD22 LEU 74 HD22 LEU 74 -3.596 1.414 3.516 475 HD23 LEU 74 HD23 LEU 74 -5.168 0.631 3.322 476 H SER 75 H SER 75 -8.174 3.451 4.516 477 HA SER 75 HA SER 75 -8.849 6.270 4.057 478 HB3 SER 75 HB3 SER 75 -10.978 5.641 5.052 479 HG SER 75 HG SER 75 -10.153 4.852 2.853 480 H THR 76 H THR 76 -9.693 7.593 6.166 481 HA THR 76 HA THR 76 -7.197 8.133 7.215 482 HB THR 76 HB THR 76 -9.699 9.184 8.552 483 HG1 THR 76 HG1 THR 76 -10.011 10.535 6.864 484 HG21 THR 76 HG21 THR 76 -8.426 11.276 8.570 485 HG22 THR 76 HG22 THR 76 -7.144 10.547 7.577 486 HG23 THR 76 HG23 THR 76 -7.406 10.000 9.243 487 H ILE 77 H ILE 77 -9.997 6.877 9.132 488 HA ILE 77 HA ILE 77 -8.525 6.645 11.576 489 HB ILE 77 HB ILE 77 -11.033 5.225 10.581 490 HG13 ILE 77 HG13 ILE 77 -11.165 7.737 10.698 491 HG21 ILE 77 HG21 ILE 77 -9.932 5.444 13.418 492 HG22 ILE 77 HG22 ILE 77 -11.484 4.703 12.961 493 HG23 ILE 77 HG23 ILE 77 -9.979 3.967 12.434 494 HD11 ILE 77 HD11 ILE 77 -12.833 6.505 12.901 495 HD12 ILE 77 HD12 ILE 77 -13.170 7.957 11.938 496 HD13 ILE 77 HD13 ILE 77 -13.196 6.367 11.160 497 H GLU 78 H GLU 78 -9.174 4.479 8.849 498 HA GLU 78 HA GLU 78 -8.165 2.120 10.041 499 HB3 GLU 78 HB3 GLU 78 -8.217 1.243 7.716 500 HG3 GLU 78 HG3 GLU 78 -10.558 2.836 8.767 501 H ALA 79 H ALA 79 -6.589 4.701 8.223 502 HA ALA 79 HA ALA 79 -4.020 3.415 7.789 503 HB1 ALA 79 HB1 ALA 79 -4.633 5.483 6.535 504 HB2 ALA 79 HB2 ALA 79 -4.757 6.384 8.047 505 HB3 ALA 79 HB3 ALA 79 -3.190 5.798 7.515 506 H ALA 80 H ALA 80 -5.407 5.591 10.220 507 HA ALA 80 HA ALA 80 -3.085 5.767 11.765 508 HB1 ALA 80 HB1 ALA 80 -4.619 6.741 13.498 509 HB2 ALA 80 HB2 ALA 80 -4.953 7.393 11.880 510 HB3 ALA 80 HB3 ALA 80 -6.016 6.157 12.587 511 H GLN 81 H GLN 81 -5.725 3.348 11.909 512 HA GLN 81 HA GLN 81 -4.640 2.193 14.383 513 HB3 GLN 81 HB3 GLN 81 -7.101 2.298 13.798 514 HG3 GLN 81 HG3 GLN 81 -6.472 -0.256 12.258 515 HE21 GLN 81 HE22 GLN 81 -8.660 -0.436 10.596 516 HE22 GLN 81 HE21 GLN 81 -10.099 -0.505 11.530 517 H LEU 82 H LEU 82 -4.601 1.356 10.899 518 HA LEU 82 HA LEU 82 -3.750 -1.296 11.146 519 HB3 LEU 82 HB3 LEU 82 -2.434 -0.392 8.823 520 HG LEU 82 HG LEU 82 -4.416 -1.083 7.543 521 HD11 LEU 82 HD11 LEU 82 -3.635 -3.028 9.740 522 HD12 LEU 82 HD12 LEU 82 -2.718 -2.715 8.260 523 HD13 LEU 82 HD13 LEU 82 -4.339 -3.444 8.164 524 HD21 LEU 82 HD21 LEU 82 -6.244 -0.412 9.051 525 HD22 LEU 82 HD22 LEU 82 -5.757 -1.648 10.229 526 HD23 LEU 82 HD23 LEU 82 -6.354 -2.118 8.633 527 H LEU 83 H LEU 83 -1.782 1.627 11.142 528 HA LEU 83 HA LEU 83 0.802 0.675 10.995 529 HB3 LEU 83 HB3 LEU 83 -0.314 2.673 13.004 530 HG LEU 83 HG LEU 83 2.189 2.037 13.242 531 HD11 LEU 83 HD11 LEU 83 2.316 3.540 10.585 532 HD12 LEU 83 HD12 LEU 83 2.702 1.839 10.824 533 HD13 LEU 83 HD13 LEU 83 3.705 3.068 11.598 534 HD21 LEU 83 HD21 LEU 83 2.841 4.422 13.444 535 HD22 LEU 83 HD22 LEU 83 1.295 4.034 14.210 536 HD23 LEU 83 HD23 LEU 83 1.304 4.876 12.647 537 H GLN 84 H GLN 84 -1.444 0.317 13.727 538 HA GLN 84 HA GLN 84 0.645 -0.415 15.603 539 HB3 GLN 84 HB3 GLN 84 -2.360 -0.690 16.024 540 HG3 GLN 84 HG3 GLN 84 -0.072 0.365 17.735 541 HE21 GLN 84 HE22 GLN 84 -0.923 2.320 18.513 542 HE22 GLN 84 HE21 GLN 84 -2.433 2.425 19.415 543 H ILE 85 H ILE 85 -1.172 -2.062 13.237 544 HA ILE 85 HA ILE 85 -1.063 -4.690 14.575 545 HB ILE 85 HB ILE 85 -2.113 -3.936 11.835 546 HG13 ILE 85 HG13 ILE 85 -3.393 -2.711 13.531 547 HG21 ILE 85 HG21 ILE 85 -1.516 -6.366 12.171 548 HG22 ILE 85 HG22 ILE 85 -2.532 -6.397 13.621 549 HG23 ILE 85 HG23 ILE 85 -3.258 -6.165 12.032 550 HD11 ILE 85 HD11 ILE 85 -5.101 -5.095 12.817 551 HD12 ILE 85 HD12 ILE 85 -5.578 -3.413 13.081 552 HD13 ILE 85 HD13 ILE 85 -4.652 -3.838 11.635 553 H LEU 86 H LEU 86 0.365 -2.836 11.911 554 HA LEU 86 HA LEU 86 1.893 -4.851 10.523 555 HB3 LEU 86 HB3 LEU 86 3.352 -2.669 10.144 556 HG LEU 86 HG LEU 86 2.011 -3.613 8.350 557 HD11 LEU 86 HD11 LEU 86 -0.262 -3.540 9.421 558 HD12 LEU 86 HD12 LEU 86 -0.211 -2.710 7.850 559 HD13 LEU 86 HD13 LEU 86 -0.194 -1.757 9.320 560 HD21 LEU 86 HD21 LEU 86 1.827 -0.585 8.644 561 HD22 LEU 86 HD22 LEU 86 1.773 -1.496 7.113 562 HD23 LEU 86 HD23 LEU 86 3.245 -1.508 8.086 563 H GLN 87 H GLN 87 2.334 -3.761 13.702 564 HA GLN 87 HA GLN 87 5.226 -4.070 13.894 565 HB3 GLN 87 HB3 GLN 87 4.715 -3.602 16.290 566 HG3 GLN 87 HG3 GLN 87 3.600 -1.367 15.936 567 HE21 GLN 87 HE22 GLN 87 4.787 0.504 14.530 568 HE22 GLN 87 HE21 GLN 87 6.539 0.325 14.556 569 H ALA 88 H ALA 88 2.688 -6.313 13.685 570 HA ALA 88 HA ALA 88 3.867 -8.167 15.692 571 HB1 ALA 88 HB1 ALA 88 0.960 -7.709 14.936 572 HB2 ALA 88 HB2 ALA 88 1.566 -8.767 16.226 573 HB3 ALA 88 HB3 ALA 88 1.775 -7.013 16.354 574 H LEU 89 H LEU 89 4.050 -8.113 12.459 575 HA LEU 89 HA LEU 89 3.511 -11.030 12.161 576 HB3 LEU 89 HB3 LEU 89 1.904 -10.044 10.807 577 HG LEU 89 HG LEU 89 2.503 -8.158 9.196 578 HD11 LEU 89 HD11 LEU 89 2.429 -6.852 11.782 579 HD12 LEU 89 HD12 LEU 89 1.212 -8.111 11.588 580 HD13 LEU 89 HD13 LEU 89 1.272 -6.806 10.434 581 HD21 LEU 89 HD21 LEU 89 4.694 -7.287 10.995 582 HD22 LEU 89 HD22 LEU 89 4.055 -6.552 9.519 583 HD23 LEU 89 HD23 LEU 89 4.896 -8.102 9.427 584 H HIS 90 H HIS 90 4.755 -11.966 10.291 585 HA HIS 90 HA HIS 90 6.844 -10.437 9.194 586 HB3 HIS 90 HB3 HIS 90 8.236 -10.801 11.049 587 HD1 HIS 90 HD1 HIS 90 7.406 -11.525 13.424 588 HD2 HIS 90 HD2 HIS 90 7.894 -14.671 10.665 589 HE1 HIS 90 HE1 HIS 90 7.204 -13.689 14.744 590 HA PRO 91 HA PRO 91 5.308 -13.947 6.532 591 HB3 PRO 91 HB3 PRO 91 4.275 -12.319 5.184 592 HG3 PRO 91 HG3 PRO 91 5.420 -10.203 4.744 593 HD3 PRO 91 HD3 PRO 91 4.869 -10.513 7.095 594 HA PRO 92 HA PRO 92 9.327 -15.521 5.349 595 HB3 PRO 92 HB3 PRO 92 8.178 -17.543 5.168 596 HG3 PRO 92 HG3 PRO 92 6.147 -17.707 3.892 597 HD3 PRO 92 HD3 PRO 92 5.724 -16.103 5.557 598 H LEU 93 H LEU 93 7.742 -13.437 3.336 599 HA LEU 93 HA LEU 93 9.050 -13.845 0.831 600 HB3 LEU 93 HB3 LEU 93 7.738 -11.239 1.479 601 HG LEU 93 HG LEU 93 6.291 -11.756 -0.436 602 HD11 LEU 93 HD11 LEU 93 9.185 -12.228 -1.247 603 HD12 LEU 93 HD12 LEU 93 8.379 -10.641 -1.032 604 HD13 LEU 93 HD13 LEU 93 7.847 -11.740 -2.293 605 HD21 LEU 93 HD21 LEU 93 6.196 -14.207 -0.049 606 HD22 LEU 93 HD22 LEU 93 7.788 -14.365 -0.821 607 HD23 LEU 93 HD23 LEU 93 6.414 -13.729 -1.745 608 H THR 94 H THR 94 10.919 -13.404 3.039 609 HA THR 94 HA THR 94 12.259 -10.860 2.676 610 HB THR 94 HB THR 94 13.026 -13.440 4.031 611 HG1 THR 94 HG1 THR 94 12.461 -12.238 5.905 612 HG21 THR 94 HG21 THR 94 14.524 -10.951 3.654 613 HG22 THR 94 HG22 THR 94 15.071 -12.626 3.778 614 HG23 THR 94 HG23 THR 94 14.607 -11.741 5.257 615 H ILE 95 H ILE 95 13.451 -10.392 1.087 616 HA ILE 95 HA ILE 95 14.993 -12.372 -0.510 617 HB ILE 95 HB ILE 95 13.520 -10.923 -1.893 618 HG13 ILE 95 HG13 ILE 95 16.460 -10.203 -2.203 619 HG21 ILE 95 HG21 ILE 95 13.359 -8.928 -0.432 620 HG22 ILE 95 HG22 ILE 95 15.052 -8.534 -0.782 621 HG23 ILE 95 HG23 ILE 95 13.842 -8.507 -2.075 622 HD11 ILE 95 HD11 ILE 95 14.758 -12.353 -3.542 623 HD12 ILE 95 HD12 ILE 95 16.407 -11.907 -4.011 624 HD13 ILE 95 HD13 ILE 95 16.120 -12.637 -2.422 625 H ASP 96 H ASP 96 17.362 -11.868 -0.485 626 HA ASP 96 HA ASP 96 19.338 -11.194 0.385 627 HB3 ASP 96 HB3 ASP 96 19.360 -8.634 1.036 628 H GLY 97 H GLY 97 16.912 -11.699 2.504 629 HA2 GLY 97 HA2 GLY 97 17.021 -12.163 4.831 630 HA3 GLY 97 HA3 GLY 97 18.613 -11.427 4.929 631 H LYS 98 H LYS 98 16.155 -9.645 3.170 632 HA LYS 98 HA LYS 98 16.500 -7.403 5.024 633 HB3 LYS 98 HB3 LYS 98 14.928 -6.275 3.282 634 HG3 LYS 98 HG3 LYS 98 16.685 -6.225 1.531 635 HD3 LYS 98 HD3 LYS 98 18.486 -5.595 3.680 636 HE3 LYS 98 HE3 LYS 98 17.328 -3.247 3.267 637 HZ1 LYS 98 HZ1 LYS 98 19.172 -4.742 1.666 638 HZ2 LYS 98 HZ2 LYS 98 19.263 -3.209 2.203 639 HZ3 LYS 98 HZ3 LYS 98 18.409 -3.583 0.823 640 H THR 99 H THR 99 14.824 -6.335 5.951 641 HA THR 99 HA THR 99 12.339 -7.939 6.382 642 HB THR 99 HB THR 99 12.668 -7.399 8.856 643 HG1 THR 99 HG1 THR 99 14.970 -7.457 9.383 644 HG21 THR 99 HG21 THR 99 14.501 -9.458 7.543 645 HG22 THR 99 HG22 THR 99 12.765 -9.652 7.818 646 HG23 THR 99 HG23 THR 99 13.866 -9.502 9.205 647 H ILE 100 H ILE 100 10.649 -6.793 6.125 648 HA ILE 100 HA ILE 100 10.746 -4.087 5.309 649 HB ILE 100 HB ILE 100 8.309 -5.639 6.246 650 HG13 ILE 100 HG13 ILE 100 7.987 -6.600 4.053 651 HG21 ILE 100 HG21 ILE 100 7.151 -4.425 4.411 652 HG22 ILE 100 HG22 ILE 100 7.699 -3.400 5.726 653 HG23 ILE 100 HG23 ILE 100 8.607 -3.423 4.194 654 HD11 ILE 100 HD11 ILE 100 9.070 -5.074 2.536 655 HD12 ILE 100 HD12 ILE 100 10.673 -5.423 3.251 656 HD13 ILE 100 HD13 ILE 100 9.777 -6.671 2.362 657 H ASN 101 H ASN 101 9.717 -2.216 6.341 658 HA ASN 101 HA ASN 101 9.361 -2.472 9.274 659 HB3 ASN 101 HB3 ASN 101 10.186 0.230 8.510 660 HD21 ASN 101 HD22 ASN 101 12.753 -1.580 9.726 661 HD22 ASN 101 HD21 ASN 101 12.353 -1.612 11.418 662 H VAL 102 H VAL 102 8.369 -0.437 10.172 663 HA VAL 102 HA VAL 102 5.800 0.129 8.858 664 HB VAL 102 HB VAL 102 5.383 -1.831 10.011 665 HG11 VAL 102 HG11 VAL 102 7.361 -2.216 11.332 666 HG12 VAL 102 HG12 VAL 102 6.968 -0.853 12.412 667 HG13 VAL 102 HG13 VAL 102 5.946 -2.320 12.356 668 HG21 VAL 102 HG21 VAL 102 3.937 -1.157 11.923 669 HG22 VAL 102 HG22 VAL 102 4.678 0.445 11.920 670 HG23 VAL 102 HG23 VAL 102 3.743 -0.104 10.503 671 H GLU 103 H GLU 103 5.382 2.257 8.956 672 HA GLU 103 HA GLU 103 6.113 3.939 11.166 673 HB3 GLU 103 HB3 GLU 103 7.450 4.411 8.445 674 HG3 GLU 103 HG3 GLU 103 7.894 5.671 11.192 675 H PHE 104 H PHE 104 5.213 6.298 10.500 676 HA PHE 104 HA PHE 104 2.924 6.009 8.582 677 HB3 PHE 104 HB3 PHE 104 3.114 7.339 11.290 678 HD1 PHE 104 HD1 PHE 104 0.244 5.445 9.816 679 HD2 PHE 104 HD2 PHE 104 1.817 9.345 10.869 680 HE1 PHE 104 HE1 PHE 104 -2.005 6.366 9.779 681 HE2 PHE 104 HE2 PHE 104 -0.513 10.232 10.911 682 HZ PHE 104 HZ PHE 104 -2.422 8.743 10.366 683 H ALA 105 H ALA 105 2.711 7.610 7.081 684 HA ALA 105 HA ALA 105 4.705 9.813 7.015 685 HB1 ALA 105 HB1 ALA 105 5.384 8.004 5.576 686 HB2 ALA 105 HB2 ALA 105 3.759 7.912 4.838 687 HB3 ALA 105 HB3 ALA 105 4.797 9.329 4.572 688 H LYS 106 H LYS 106 2.421 10.501 8.115 689 HA LYS 106 HA LYS 106 0.306 11.408 6.353 690 HB3 LYS 106 HB3 LYS 106 -0.062 10.860 8.613 691 HG3 LYS 106 HG3 LYS 106 1.857 13.137 9.114 692 HD3 LYS 106 HD3 LYS 106 -0.733 12.589 10.534 693 HE3 LYS 106 HE3 LYS 106 1.616 14.413 11.267 694 HZ1 LYS 106 HZ1 LYS 106 0.222 15.014 13.145 695 HZ2 LYS 106 HZ2 LYS 106 -1.085 14.263 12.514 696 HZ3 LYS 106 HZ3 LYS 106 -0.420 15.560 11.741 697 H GLY 107 H GLY 107 -0.243 13.916 6.610 698 HA2 GLY 107 HA2 GLY 107 0.386 16.163 6.509 699 HA3 GLY 107 HA3 GLY 107 2.079 15.700 6.367 700 H SER 108 H SER 108 0.999 17.645 4.711 701 HA SER 108 HA SER 108 2.099 16.666 2.322 702 HB3 SER 108 HB3 SER 108 -0.604 17.867 1.724 703 HG SER 108 HG SER 108 -0.168 17.049 -0.221 704 H LYS 109 H LYS 109 1.779 18.735 0.601 705 HA LYS 109 HA LYS 109 2.698 21.114 2.186 706 HB3 LYS 109 HB3 LYS 109 3.209 20.410 -0.731 707 HG3 LYS 109 HG3 LYS 109 4.612 22.437 1.069 708 HD3 LYS 109 HD3 LYS 109 5.577 23.280 -1.012 709 HE3 LYS 109 HE3 LYS 109 6.096 20.304 -0.715 710 HZ1 LYS 109 HZ1 LYS 109 8.196 20.837 -1.792 711 HZ2 LYS 109 HZ2 LYS 109 7.758 22.400 -1.988 712 HZ3 LYS 109 HZ3 LYS 109 6.963 21.200 -2.793 713 H ARG 110 H ARG 110 0.725 22.151 2.647 714 HA ARG 110 HA ARG 110 -0.458 23.677 0.550 715 HB3 ARG 110 HB3 ARG 110 -2.810 22.285 1.496 716 HG3 ARG 110 HG3 ARG 110 -3.191 21.673 -0.779 717 HD3 ARG 110 HD3 ARG 110 -3.081 24.277 0.074 718 HE ARG 110 HE ARG 110 -0.991 24.166 -1.851 719 HH11 ARG 110 HH11 ARG 110 -3.935 26.102 -1.165 720 HH12 ARG 110 HH12 ARG 110 -3.294 27.500 -1.971 721 HH21 ARG 110 HH22 ARG 110 -0.234 26.061 -2.919 722 HH22 ARG 110 HH21 ARG 110 -1.224 27.476 -2.921 723 H ASP 111 H ASP 111 0.270 25.267 2.056 724 HA ASP 111 HA ASP 111 -1.670 25.844 4.197 725 HB3 ASP 111 HB3 ASP 111 0.290 24.646 5.257 726 H MET 112 H MET 112 -1.893 28.079 4.569 727 HA MET 112 HA MET 112 -0.262 30.052 3.174 728 HB3 MET 112 HB3 MET 112 -3.230 30.287 2.713 729 HG3 MET 112 HG3 MET 112 -0.763 30.894 1.042 730 HE1 MET 112 HE1 MET 112 -0.939 32.189 -1.299 731 HE2 MET 112 HE2 MET 112 -2.319 33.288 -1.543 732 HE3 MET 112 HE3 MET 112 -1.334 33.404 -0.077 733 H ALA 113 H ALA 113 -1.348 32.391 3.930 734 HA ALA 113 HA ALA 113 -2.751 32.147 6.492 735 HB1 ALA 113 HB1 ALA 113 0.046 33.310 6.131 736 HB2 ALA 113 HB2 ALA 113 -0.973 33.661 7.527 737 HB3 ALA 113 HB3 ALA 113 -0.458 31.996 7.224 738 H SER 114 H SER 114 -3.502 34.288 7.268 739 HA SER 114 HA SER 114 -2.931 36.660 5.820 740 HB3 SER 114 HB3 SER 114 -5.894 36.258 5.833 741 HG SER 114 HG SER 114 -3.938 37.193 3.972 742 H ASN 115 H ASN 115 -4.153 38.545 6.845 743 HA ASN 115 HA ASN 115 -5.556 38.434 9.235 744 HB3 ASN 115 HB3 ASN 115 -2.583 39.050 9.627 745 HD21 ASN 115 HD22 ASN 115 -4.428 38.123 12.370 746 HD22 ASN 115 HD21 ASN 115 -4.410 39.669 13.151 747 H GLU 116 H GLU 116 -6.717 40.346 8.914 748 HA GLU 116 HA GLU 116 -5.320 42.822 8.350 749 HB3 GLU 116 HB3 GLU 116 -7.477 41.950 6.397 750 HG3 GLU 116 HG3 GLU 116 -5.277 43.590 5.371 751 H GLY 117 H GLY 117 -7.840 44.250 7.675 752 HA2 GLY 117 HA2 GLY 117 -9.739 45.045 8.596 753 HA3 GLY 117 HA3 GLY 117 -9.934 43.484 9.393 754 H SER 118 H SER 118 -7.839 46.372 9.735 755 HA SER 118 HA SER 118 -8.095 46.205 12.680 756 HB3 SER 118 HB3 SER 118 -5.896 46.175 12.707 757 HG SER 118 HG SER 118 -5.418 45.133 10.928 758 H ARG 119 H ARG 119 -10.149 47.616 11.180 759 HA ARG 119 HA ARG 119 -9.577 50.456 11.812 760 HB3 ARG 119 HB3 ARG 119 -10.997 49.478 9.299 761 HG3 ARG 119 HG3 ARG 119 -10.464 51.798 8.489 762 HD3 ARG 119 HD3 ARG 119 -12.194 51.827 10.968 763 HE ARG 119 HE ARG 119 -11.895 53.781 8.860 764 HH11 ARG 119 HH11 ARG 119 -14.091 52.346 11.204 765 HH12 ARG 119 HH12 ARG 119 -14.874 53.791 11.706 766 HH21 ARG 119 HH22 ARG 119 -13.130 55.771 9.244 767 HH22 ARG 119 HH21 ARG 119 -14.454 55.756 10.354 768 H ILE 120 H ILE 120 -10.599 50.047 13.721 769 HA ILE 120 HA ILE 120 -13.598 49.988 13.581 770 HB ILE 120 HB ILE 120 -11.759 49.339 15.918 771 HG13 ILE 120 HG13 ILE 120 -11.984 47.576 14.131 772 HG21 ILE 120 HG21 ILE 120 -13.836 48.755 17.180 773 HG22 ILE 120 HG22 ILE 120 -13.749 50.452 16.829 774 HG23 ILE 120 HG23 ILE 120 -14.817 49.405 15.853 775 HD11 ILE 120 HD11 ILE 120 -13.484 46.643 16.590 776 HD12 ILE 120 HD12 ILE 120 -12.508 45.700 15.461 777 HD13 ILE 120 HD13 ILE 120 -11.715 46.873 16.531 778 H SER 121 H SER 121 -14.678 51.713 15.048 779 HA SER 121 HA SER 121 -13.016 53.908 15.926 780 HB3 SER 121 HB3 SER 121 -13.396 54.543 13.633 781 HG SER 121 HG SER 121 -16.076 53.846 14.170 782 H ALA 122 H ALA 122 -13.905 54.567 17.835 783 HA ALA 122 HA ALA 122 -15.141 54.610 19.669 784 HB1 ALA 122 HB1 ALA 122 -17.638 54.441 17.943 785 HB2 ALA 122 HB2 ALA 122 -17.528 55.009 19.621 786 HB3 ALA 122 HB3 ALA 122 -16.764 55.942 18.328 787 H ALA 123 H ALA 123 -17.305 53.224 20.616 788 HA ALA 123 HA ALA 123 -16.812 50.354 20.068 789 HB1 ALA 123 HB1 ALA 123 -15.141 50.970 21.785 790 HB2 ALA 123 HB2 ALA 123 -16.434 51.622 22.823 791 HB3 ALA 123 HB3 ALA 123 -16.379 49.886 22.446 792 H SER 124 H SER 124 -18.927 52.933 21.336 793 HA SER 124 HA SER 124 -21.219 51.273 21.001 794 HB3 SER 124 HB3 SER 124 -22.089 51.689 23.326 795 HG SER 124 HG SER 124 -20.047 49.966 22.671 796 H VAL 125 H VAL 125 -23.221 52.841 21.614 797 HA VAL 125 HA VAL 125 -22.640 55.634 21.652 798 HB VAL 125 HB VAL 125 -22.428 55.113 19.241 799 HG11 VAL 125 HG11 VAL 125 -23.866 53.121 19.056 800 HG12 VAL 125 HG12 VAL 125 -25.305 54.118 19.348 801 HG13 VAL 125 HG13 VAL 125 -24.327 54.362 17.887 802 HG21 VAL 125 HG21 VAL 125 -25.009 56.644 19.701 803 HG22 VAL 125 HG22 VAL 125 -23.375 57.302 19.959 804 HG23 VAL 125 HG23 VAL 125 -23.881 56.781 18.348 805 H ALA 126 H ALA 126 -24.826 56.748 21.959 806 HA ALA 126 HA ALA 126 -27.122 55.052 22.472 807 HB1 ALA 126 HB1 ALA 126 -26.082 57.037 24.557 808 HB2 ALA 126 HB2 ALA 126 -27.652 56.210 24.605 809 HB3 ALA 126 HB3 ALA 126 -26.155 55.268 24.748 810 H SER 127 H SER 127 -29.017 56.261 22.003 811 HA SER 127 HA SER 127 -28.723 59.048 21.037 812 HB3 SER 127 HB3 SER 127 -28.040 57.697 19.183 813 HG SER 127 HG SER 127 -30.147 56.200 18.676 814 H THR 128 H THR 128 -30.412 57.387 23.201 815 HA THR 128 HA THR 128 -32.848 58.820 22.748 816 HB THR 128 HB THR 128 -33.179 56.785 21.339 817 HG1 THR 128 HG1 THR 128 -35.182 56.305 22.233 818 HG21 THR 128 HG21 THR 128 -33.507 54.583 22.352 819 HG22 THR 128 HG22 THR 128 -33.043 55.207 23.947 820 HG23 THR 128 HG23 THR 128 -31.848 55.130 22.635 821 H ALA 129 H ALA 129 -34.344 58.204 24.712 822 HA ALA 129 HA ALA 129 -33.041 57.083 27.025 823 HB1 ALA 129 HB1 ALA 129 -33.704 58.976 28.497 824 HB2 ALA 129 HB2 ALA 129 -32.470 59.484 27.324 825 HB3 ALA 129 HB3 ALA 129 -34.181 59.926 27.072 826 H ILE 130 H ILE 130 -34.715 56.262 28.432 827 HA ILE 130 HA ILE 130 -37.472 56.744 27.960 828 HB ILE 130 HB ILE 130 -38.139 54.459 27.625 829 HG13 ILE 130 HG13 ILE 130 -36.747 52.595 27.042 830 HG21 ILE 130 HG21 ILE 130 -37.866 55.810 25.616 831 HG22 ILE 130 HG22 ILE 130 -36.235 55.169 25.376 832 HG23 ILE 130 HG23 ILE 130 -37.638 54.082 25.299 833 HD11 ILE 130 HD11 ILE 130 -34.651 53.741 26.215 834 HD12 ILE 130 HD12 ILE 130 -34.271 54.133 27.913 835 HD13 ILE 130 HD13 ILE 130 -34.382 52.449 27.397 836 H ALA 131 H ALA 131 -38.637 55.609 29.656 837 HA ALA 131 HA ALA 131 -39.192 55.374 31.783 838 HB1 ALA 131 HB1 ALA 131 -37.701 54.819 33.584 839 HB2 ALA 131 HB2 ALA 131 -37.426 53.662 32.261 840 HB3 ALA 131 HB3 ALA 131 -36.278 55.000 32.557 Start of MODEL 11 1 H1 GLN 1 H1 GLN 1 33.808 53.988 -8.939 2 HA GLN 1 HA GLN 1 34.415 52.209 -10.529 3 HB3 GLN 1 HB3 GLN 1 35.974 50.515 -9.948 4 HG3 GLN 1 HG3 GLN 1 38.123 51.510 -9.717 5 HE21 GLN 1 HE22 GLN 1 38.655 51.987 -11.925 6 HE22 GLN 1 HE21 GLN 1 37.879 53.291 -12.798 7 H ALA 2 H ALA 2 33.094 50.238 -10.397 8 HA ALA 2 HA ALA 2 32.135 49.344 -7.836 9 HB1 ALA 2 HB1 ALA 2 29.701 49.731 -8.294 10 HB2 ALA 2 HB2 ALA 2 30.592 51.218 -7.960 11 HB3 ALA 2 HB3 ALA 2 30.139 50.824 -9.629 12 H GLN 3 H GLN 3 30.270 49.246 -10.842 13 HA GLN 3 HA GLN 3 29.996 47.717 -12.482 14 HB3 GLN 3 HB3 GLN 3 32.134 46.850 -13.452 15 HG3 GLN 3 HG3 GLN 3 31.659 49.727 -12.777 16 HE21 GLN 3 HE22 GLN 3 34.155 48.543 -15.008 17 HE22 GLN 3 HE21 GLN 3 35.471 49.427 -14.266 18 H GLY 4 H GLY 4 29.357 46.696 -9.859 19 HA2 GLY 4 HA2 GLY 4 29.697 43.772 -10.260 20 HA3 GLY 4 HA3 GLY 4 28.951 44.562 -8.855 21 H VAL 5 H VAL 5 27.396 42.656 -9.955 22 HA VAL 5 HA VAL 5 25.465 43.913 -11.779 23 HB VAL 5 HB VAL 5 25.663 41.054 -10.704 24 HG11 VAL 5 HG11 VAL 5 24.017 40.549 -12.500 25 HG12 VAL 5 HG12 VAL 5 23.350 41.631 -11.280 26 HG13 VAL 5 HG13 VAL 5 23.875 42.286 -12.854 27 HG21 VAL 5 HG21 VAL 5 27.529 41.457 -12.265 28 HG22 VAL 5 HG22 VAL 5 26.325 40.409 -13.009 29 HG23 VAL 5 HG23 VAL 5 26.406 42.129 -13.465 30 H LEU 6 H LEU 6 23.425 44.210 -10.970 31 HA LEU 6 HA LEU 6 22.895 43.932 -8.047 32 HB3 LEU 6 HB3 LEU 6 21.742 46.155 -8.171 33 HG LEU 6 HG LEU 6 24.702 46.308 -8.905 34 HD11 LEU 6 HD11 LEU 6 24.618 48.585 -7.983 35 HD12 LEU 6 HD12 LEU 6 22.863 48.435 -7.733 36 HD13 LEU 6 HD13 LEU 6 23.541 48.421 -9.376 37 HD21 LEU 6 HD21 LEU 6 24.353 45.096 -6.792 38 HD22 LEU 6 HD22 LEU 6 23.295 46.396 -6.194 39 HD23 LEU 6 HD23 LEU 6 25.025 46.693 -6.469 40 H ALA 7 H ALA 7 21.350 42.285 -8.148 41 HA ALA 7 HA ALA 7 18.800 43.025 -9.259 42 HB1 ALA 7 HB1 ALA 7 20.152 40.436 -10.180 43 HB2 ALA 7 HB2 ALA 7 18.463 40.881 -10.474 44 HB3 ALA 7 HB3 ALA 7 19.764 41.829 -11.223 45 H SER 8 H SER 8 17.119 41.885 -8.180 46 HA SER 8 HA SER 8 17.300 39.608 -6.556 47 HB3 SER 8 HB3 SER 8 16.761 40.894 -4.384 48 HG SER 8 HG SER 8 19.296 40.902 -5.622 49 H GLN 9 H GLN 9 15.020 39.194 -5.765 50 HA GLN 9 HA GLN 9 13.014 41.193 -5.903 51 HB3 GLN 9 HB3 GLN 9 13.015 40.826 -8.306 52 HG3 GLN 9 HG3 GLN 9 12.443 37.879 -7.814 53 HE21 GLN 9 HE22 GLN 9 13.488 36.827 -9.978 54 HE22 GLN 9 HE21 GLN 9 12.776 37.404 -11.486 55 H ALA 10 H ALA 10 11.121 40.430 -4.804 56 HA ALA 10 HA ALA 10 10.910 37.604 -3.970 57 HB1 ALA 10 HB1 ALA 10 11.379 39.918 -2.058 58 HB2 ALA 10 HB2 ALA 10 10.718 38.339 -1.579 59 HB3 ALA 10 HB3 ALA 10 12.354 38.437 -2.240 60 H LEU 11 H LEU 11 8.858 37.225 -4.551 61 HA LEU 11 HA LEU 11 6.684 39.130 -3.794 62 HB3 LEU 11 HB3 LEU 11 5.499 37.688 -5.700 63 HG LEU 11 HG LEU 11 6.133 39.182 -7.535 64 HD11 LEU 11 HD11 LEU 11 5.456 40.667 -4.969 65 HD12 LEU 11 HD12 LEU 11 4.309 39.777 -5.987 66 HD13 LEU 11 HD13 LEU 11 5.129 41.202 -6.622 67 HD21 LEU 11 HD21 LEU 11 7.579 41.069 -7.288 68 HD22 LEU 11 HD22 LEU 11 8.511 39.632 -6.857 69 HD23 LEU 11 HD23 LEU 11 7.889 40.712 -5.581 70 H SER 12 H SER 12 5.179 38.192 -2.455 71 HA SER 12 HA SER 12 5.048 35.263 -2.099 72 HB3 SER 12 HB3 SER 12 5.756 37.126 0.209 73 HG SER 12 HG SER 12 6.500 34.452 0.052 74 H GLN 13 H GLN 13 2.770 35.659 -2.950 75 HA GLN 13 HA GLN 13 0.966 36.331 -0.800 76 HB3 GLN 13 HB3 GLN 13 0.444 37.940 -3.292 77 HG3 GLN 13 HG3 GLN 13 0.152 39.696 -1.288 78 HE21 GLN 13 HE22 GLN 13 -2.130 37.228 -0.396 79 HE22 GLN 13 HE21 GLN 13 -3.384 37.683 -1.534 80 H GLY 14 H GLY 14 -1.405 36.092 -1.766 81 HA2 GLY 14 HA2 GLY 14 -2.970 35.102 -3.091 82 HA3 GLY 14 HA3 GLY 14 -1.700 34.589 -4.206 83 H SER 15 H SER 15 -3.658 33.604 -1.366 84 HA SER 15 HA SER 15 -3.019 30.854 -1.915 85 HB3 SER 15 HB3 SER 15 -1.548 30.646 -0.233 86 HG SER 15 HG SER 15 -1.403 32.273 1.489 87 H GLU 16 H GLU 16 -4.670 29.586 -1.473 88 HA GLU 16 HA GLU 16 -7.132 30.555 -0.193 89 HB3 GLU 16 HB3 GLU 16 -7.983 29.142 -2.451 90 HG3 GLU 16 HG3 GLU 16 -7.624 32.154 -2.211 91 HA PRO 17 HA PRO 17 -7.335 26.464 1.447 92 HB3 PRO 17 HB3 PRO 17 -9.290 27.194 2.471 93 HG3 PRO 17 HG3 PRO 17 -11.010 28.298 1.209 94 HD3 PRO 17 HD3 PRO 17 -9.047 29.562 0.907 95 H SER 18 H SER 18 -8.480 24.191 1.095 96 HA SER 18 HA SER 18 -8.913 23.411 -1.666 97 HB3 SER 18 HB3 SER 18 -7.122 21.790 -1.743 98 HG SER 18 HG SER 18 -6.643 24.266 -1.839 99 H SER 19 H SER 19 -9.542 21.049 -1.686 100 HA SER 19 HA SER 19 -10.309 19.880 0.914 101 HB3 SER 19 HB3 SER 19 -12.229 20.178 -1.439 102 HG SER 19 HG SER 19 -12.457 18.338 -0.119 103 H GLU 20 H GLU 20 -8.074 19.212 -0.311 104 HA GLU 20 HA GLU 20 -8.231 17.294 -2.453 105 HB3 GLU 20 HB3 GLU 20 -5.974 17.159 -0.495 106 HG3 GLU 20 HG3 GLU 20 -6.092 16.214 -2.948 107 H ASN 21 H ASN 21 -7.366 14.952 -2.038 108 HA ASN 21 HA ASN 21 -8.856 13.762 0.261 109 HB3 ASN 21 HB3 ASN 21 -9.767 12.114 -1.440 110 HD21 ASN 21 HD22 ASN 21 -10.722 14.766 -3.362 111 HD22 ASN 21 HD21 ASN 21 -11.923 15.425 -2.265 112 H ALA 22 H ALA 22 -6.261 13.859 0.700 113 HA ALA 22 HA ALA 22 -5.400 11.057 0.436 114 HB1 ALA 22 HB1 ALA 22 -3.699 13.347 -0.661 115 HB2 ALA 22 HB2 ALA 22 -3.154 11.652 -0.439 116 HB3 ALA 22 HB3 ALA 22 -4.429 12.046 -1.607 117 H ASN 23 H ASN 23 -5.734 11.060 2.736 118 HA ASN 23 HA ASN 23 -3.959 12.927 4.268 119 HB3 ASN 23 HB3 ASN 23 -6.299 13.676 4.202 120 HD21 ASN 23 HD22 ASN 23 -7.028 10.618 3.930 121 HD22 ASN 23 HD21 ASN 23 -8.404 10.550 4.939 122 H ASP 24 H ASP 24 -4.187 9.930 3.599 123 HA ASP 24 HA ASP 24 -3.319 8.676 6.119 124 HB3 ASP 24 HB3 ASP 24 -5.493 8.301 6.459 125 H THR 25 H THR 25 -1.543 7.519 5.533 126 HA THR 25 HA THR 25 -1.427 5.855 3.160 127 HB THR 25 HB THR 25 0.233 8.406 3.391 128 HG1 THR 25 HG1 THR 25 -1.973 7.979 2.160 129 HG21 THR 25 HG21 THR 25 0.625 6.022 1.553 130 HG22 THR 25 HG22 THR 25 1.788 6.689 2.714 131 HG23 THR 25 HG23 THR 25 1.336 7.633 1.279 132 H ILE 26 H ILE 26 -0.491 4.039 4.058 133 HA ILE 26 HA ILE 26 1.676 4.276 6.061 134 HB ILE 26 HB ILE 26 0.426 1.895 4.641 135 HG13 ILE 26 HG13 ILE 26 -0.410 1.225 6.837 136 HG21 ILE 26 HG21 ILE 26 2.696 1.233 5.039 137 HG22 ILE 26 HG22 ILE 26 2.659 1.848 6.702 138 HG23 ILE 26 HG23 ILE 26 1.687 0.446 6.241 139 HD11 ILE 26 HD11 ILE 26 1.201 2.639 8.263 140 HD12 ILE 26 HD12 ILE 26 0.139 4.019 7.853 141 HD13 ILE 26 HD13 ILE 26 -0.495 2.605 8.734 142 H ILE 27 H ILE 27 3.773 3.429 5.495 143 HA ILE 27 HA ILE 27 4.579 3.501 2.667 144 HB ILE 27 HB ILE 27 4.886 5.807 3.704 145 HG13 ILE 27 HG13 ILE 27 7.224 4.297 2.509 146 HG21 ILE 27 HG21 ILE 27 7.148 4.548 5.273 147 HG22 ILE 27 HG22 ILE 27 6.601 6.237 5.298 148 HG23 ILE 27 HG23 ILE 27 5.569 4.963 5.966 149 HD11 ILE 27 HD11 ILE 27 5.481 5.160 0.992 150 HD12 ILE 27 HD12 ILE 27 5.635 6.781 1.729 151 HD13 ILE 27 HD13 ILE 27 6.971 6.111 0.799 152 H LEU 28 H LEU 28 6.436 2.164 2.348 153 HA LEU 28 HA LEU 28 7.155 0.426 4.670 154 HB3 LEU 28 HB3 LEU 28 7.632 -1.327 3.155 155 HG LEU 28 HG LEU 28 5.637 -2.132 2.403 156 HD11 LEU 28 HD11 LEU 28 4.175 -1.961 4.312 157 HD12 LEU 28 HD12 LEU 28 4.889 -0.409 4.798 158 HD13 LEU 28 HD13 LEU 28 5.855 -1.887 4.881 159 HD21 LEU 28 HD21 LEU 28 4.905 -0.039 1.140 160 HD22 LEU 28 HD22 LEU 28 4.178 0.503 2.657 161 HD23 LEU 28 HD23 LEU 28 3.661 -1.021 1.895 162 H ARG 29 H ARG 29 9.370 -0.091 4.837 163 HA ARG 29 HA ARG 29 11.441 1.464 3.385 164 HB3 ARG 29 HB3 ARG 29 12.486 2.086 5.514 165 HG3 ARG 29 HG3 ARG 29 9.541 2.616 5.978 166 HD3 ARG 29 HD3 ARG 29 11.724 3.212 7.550 167 HE ARG 29 HE ARG 29 11.283 5.494 5.730 168 HH11 ARG 29 HH11 ARG 29 12.339 4.656 9.002 169 HH12 ARG 29 HH12 ARG 29 13.583 5.841 9.083 170 HH21 ARG 29 HH22 ARG 29 12.770 7.285 5.933 171 HH22 ARG 29 HH21 ARG 29 13.643 7.449 7.408 172 H ASN 30 H ASN 30 13.542 0.392 3.534 173 HA ASN 30 HA ASN 30 15.102 -1.207 3.799 174 HB3 ASN 30 HB3 ASN 30 13.216 -2.751 5.582 175 HD21 ASN 30 HD22 ASN 30 14.050 -4.541 6.522 176 HD22 ASN 30 HD21 ASN 30 15.721 -5.096 6.397 177 H LEU 31 H LEU 31 13.315 -1.184 1.559 178 HA LEU 31 HA LEU 31 12.498 -3.989 1.221 179 HB3 LEU 31 HB3 LEU 31 11.557 -3.142 -0.992 180 HG LEU 31 HG LEU 31 10.338 -3.492 1.163 181 HD11 LEU 31 HD11 LEU 31 11.036 -2.213 2.656 182 HD12 LEU 31 HD12 LEU 31 9.495 -1.474 2.315 183 HD13 LEU 31 HD13 LEU 31 10.975 -0.713 1.681 184 HD21 LEU 31 HD21 LEU 31 8.289 -2.482 0.572 185 HD22 LEU 31 HD22 LEU 31 9.100 -2.985 -0.923 186 HD23 LEU 31 HD23 LEU 31 9.120 -1.270 -0.452 187 H ASN 32 H ASN 32 13.050 -5.255 -0.587 188 HA ASN 32 HA ASN 32 15.840 -4.823 -1.409 189 HB3 ASN 32 HB3 ASN 32 14.436 -6.947 -2.879 190 HD21 ASN 32 HD22 ASN 32 16.852 -6.260 -0.117 191 HD22 ASN 32 HD21 ASN 32 17.975 -7.387 -0.808 192 HA PRO 33 HA PRO 33 14.845 -2.743 -5.145 193 HB3 PRO 33 HB3 PRO 33 17.016 -2.284 -5.561 194 HG3 PRO 33 HG3 PRO 33 18.684 -3.669 -4.699 195 HD3 PRO 33 HD3 PRO 33 17.285 -3.909 -2.781 196 H HIS 34 H HIS 34 15.079 -6.177 -5.008 197 HA HIS 34 HA HIS 34 13.460 -6.574 -7.444 198 HB3 HIS 34 HB3 HIS 34 14.278 -8.940 -7.165 199 HD1 HIS 34 HD1 HIS 34 14.869 -7.245 -9.499 200 HD2 HIS 34 HD2 HIS 34 17.692 -7.755 -6.407 201 HE1 HIS 34 HE1 HIS 34 17.150 -6.570 -10.459 202 H SER 35 H SER 35 12.570 -5.950 -4.332 203 HA SER 35 HA SER 35 11.422 -8.383 -3.511 204 HB3 SER 35 HB3 SER 35 11.995 -6.725 -1.986 205 HG SER 35 HG SER 35 9.741 -5.193 -2.492 206 H THR 36 H THR 36 9.010 -8.497 -3.182 207 HA THR 36 HA THR 36 7.412 -7.779 -5.585 208 HB THR 36 HB THR 36 6.090 -9.910 -4.577 209 HG1 THR 36 HG1 THR 36 7.967 -11.408 -3.994 210 HG21 THR 36 HG21 THR 36 6.949 -9.783 -6.781 211 HG22 THR 36 HG22 THR 36 7.387 -11.349 -6.101 212 HG23 THR 36 HG23 THR 36 8.630 -10.073 -6.244 213 H MET 37 H MET 37 5.177 -7.316 -5.397 214 HA MET 37 HA MET 37 4.599 -5.630 -3.155 215 HB3 MET 37 HB3 MET 37 3.728 -5.699 -5.679 216 HG3 MET 37 HG3 MET 37 1.303 -6.744 -4.175 217 HE1 MET 37 HE1 MET 37 0.918 -4.150 -5.524 218 HE2 MET 37 HE2 MET 37 2.067 -4.233 -6.861 219 HE3 MET 37 HE3 MET 37 0.320 -4.167 -7.192 220 H ASP 38 H ASP 38 4.039 -9.014 -3.827 221 HA ASP 38 HA ASP 38 1.723 -9.449 -2.318 222 HB3 ASP 38 HB3 ASP 38 3.884 -11.543 -2.692 223 H SER 39 H SER 39 4.983 -9.133 -1.348 224 HA SER 39 HA SER 39 4.990 -10.324 1.227 225 HB3 SER 39 HB3 SER 39 7.024 -9.472 0.433 226 HG SER 39 HG SER 39 6.428 -7.721 -0.842 227 H ILE 40 H ILE 40 3.684 -7.170 0.218 228 HA ILE 40 HA ILE 40 2.847 -6.363 2.847 229 HB ILE 40 HB ILE 40 1.945 -5.412 0.095 230 HG13 ILE 40 HG13 ILE 40 4.303 -4.653 1.824 231 HG21 ILE 40 HG21 ILE 40 0.352 -4.796 1.881 232 HG22 ILE 40 HG22 ILE 40 1.684 -4.060 2.794 233 HG23 ILE 40 HG23 ILE 40 1.180 -3.385 1.224 234 HD11 ILE 40 HD11 ILE 40 5.399 -4.119 -0.312 235 HD12 ILE 40 HD12 ILE 40 4.750 -5.752 -0.415 236 HD13 ILE 40 HD13 ILE 40 3.903 -4.423 -1.202 237 H LEU 41 H LEU 41 1.100 -7.637 -0.019 238 HA LEU 41 HA LEU 41 -1.467 -7.660 1.148 239 HB3 LEU 41 HB3 LEU 41 -2.052 -9.330 -0.614 240 HG LEU 41 HG LEU 41 -0.328 -7.030 -1.629 241 HD11 LEU 41 HD11 LEU 41 -0.822 -8.782 -3.317 242 HD12 LEU 41 HD12 LEU 41 -1.628 -7.238 -3.687 243 HD13 LEU 41 HD13 LEU 41 -2.551 -8.580 -2.974 244 HD21 LEU 41 HD21 LEU 41 -2.070 -6.088 -0.228 245 HD22 LEU 41 HD22 LEU 41 -3.293 -7.167 -0.937 246 HD23 LEU 41 HD23 LEU 41 -2.572 -5.875 -1.907 247 H GLY 42 H GLY 42 0.787 -10.415 0.804 248 HA2 GLY 42 HA2 GLY 42 -0.781 -12.226 2.359 249 HA3 GLY 42 HA3 GLY 42 0.863 -12.440 1.806 250 H ALA 43 H ALA 43 0.522 -9.567 3.696 251 HA ALA 43 HA ALA 43 1.108 -11.032 6.228 252 HB1 ALA 43 HB1 ALA 43 2.285 -8.970 6.995 253 HB2 ALA 43 HB2 ALA 43 3.104 -9.847 5.699 254 HB3 ALA 43 HB3 ALA 43 2.220 -8.361 5.326 255 H LEU 44 H LEU 44 -0.582 -8.243 4.670 256 HA LEU 44 HA LEU 44 -1.892 -7.767 7.305 257 HB3 LEU 44 HB3 LEU 44 -2.545 -5.616 6.420 258 HG LEU 44 HG LEU 44 -0.684 -4.410 6.661 259 HD11 LEU 44 HD11 LEU 44 0.907 -5.484 8.184 260 HD12 LEU 44 HD12 LEU 44 0.303 -7.078 7.740 261 HD13 LEU 44 HD13 LEU 44 -0.760 -5.932 8.580 262 HD21 LEU 44 HD21 LEU 44 1.077 -6.494 5.371 263 HD22 LEU 44 HD22 LEU 44 1.528 -4.855 5.864 264 HD23 LEU 44 HD23 LEU 44 0.375 -5.092 4.537 265 H ALA 45 H ALA 45 -2.761 -9.414 4.450 266 HA ALA 45 HA ALA 45 -5.204 -8.445 3.829 267 HB1 ALA 45 HB1 ALA 45 -4.176 -10.220 2.583 268 HB2 ALA 45 HB2 ALA 45 -4.523 -11.387 3.888 269 HB3 ALA 45 HB3 ALA 45 -5.844 -10.625 3.005 270 HA PRO 46 HA PRO 46 -7.730 -10.797 7.111 271 HB3 PRO 46 HB3 PRO 46 -6.758 -12.799 7.774 272 HG3 PRO 46 HG3 PRO 46 -4.396 -12.977 8.098 273 HD3 PRO 46 HD3 PRO 46 -4.760 -12.163 5.916 274 H TYR 47 H TYR 47 -5.448 -8.373 7.651 275 HA TYR 47 HA TYR 47 -6.756 -7.427 10.159 276 HB3 TYR 47 HB3 TYR 47 -4.711 -6.439 10.781 277 HD1 TYR 47 HD1 TYR 47 -5.829 -9.176 11.365 278 HD2 TYR 47 HD2 TYR 47 -2.067 -8.003 9.616 279 HE1 TYR 47 HE1 TYR 47 -4.838 -11.305 12.109 280 HE2 TYR 47 HE2 TYR 47 -1.054 -10.132 10.367 281 HH TYR 47 HH TYR 47 -2.994 -12.739 11.670 282 H ALA 48 H ALA 48 -7.042 -7.062 6.988 283 HA ALA 48 HA ALA 48 -7.724 -4.206 7.093 284 HB1 ALA 48 HB1 ALA 48 -6.292 -3.625 5.189 285 HB2 ALA 48 HB2 ALA 48 -5.310 -4.239 6.530 286 HB3 ALA 48 HB3 ALA 48 -5.656 -5.285 5.130 287 H VAL 49 H VAL 49 -8.464 -3.594 4.709 288 HA VAL 49 HA VAL 49 -9.651 -5.825 3.251 289 HB VAL 49 HB VAL 49 -11.321 -5.214 4.715 290 HG11 VAL 49 HG11 VAL 49 -11.130 -2.315 3.894 291 HG12 VAL 49 HG12 VAL 49 -12.355 -3.037 4.956 292 HG13 VAL 49 HG13 VAL 49 -10.662 -3.005 5.460 293 HG21 VAL 49 HG21 VAL 49 -11.838 -5.604 2.266 294 HG22 VAL 49 HG22 VAL 49 -13.108 -4.761 3.185 295 HG23 VAL 49 HG23 VAL 49 -12.030 -3.856 2.104 296 H LEU 50 H LEU 50 -7.776 -5.456 1.991 297 HA LEU 50 HA LEU 50 -8.096 -3.266 0.027 298 HB3 LEU 50 HB3 LEU 50 -6.615 -2.223 1.501 299 HG LEU 50 HG LEU 50 -5.578 -3.871 2.911 300 HD11 LEU 50 HD11 LEU 50 -3.740 -5.347 2.111 301 HD12 LEU 50 HD12 LEU 50 -4.155 -4.933 0.427 302 HD13 LEU 50 HD13 LEU 50 -5.296 -5.820 1.464 303 HD21 LEU 50 HD21 LEU 50 -4.395 -1.724 2.296 304 HD22 LEU 50 HD22 LEU 50 -3.462 -2.619 1.089 305 HD23 LEU 50 HD23 LEU 50 -3.296 -3.015 2.815 306 H SER 51 H SER 51 -6.334 -3.491 -1.779 307 HA SER 51 HA SER 51 -5.699 -6.285 -2.431 308 HB3 SER 51 HB3 SER 51 -8.020 -5.935 -3.220 309 HG SER 51 HG SER 51 -8.294 -3.886 -3.736 310 H SER 52 H SER 52 -4.733 -6.157 -4.829 311 HA SER 52 HA SER 52 -2.370 -4.726 -4.883 312 HB3 SER 52 HB3 SER 52 -2.612 -6.787 -6.001 313 HG SER 52 HG SER 52 -4.213 -7.304 -7.256 314 H SER 53 H SER 53 -5.327 -3.189 -5.353 315 HA SER 53 HA SER 53 -4.253 -1.103 -7.168 316 HB3 SER 53 HB3 SER 53 -6.421 0.040 -6.344 317 HG SER 53 HG SER 53 -6.117 -0.941 -8.383 318 H ASN 54 H ASN 54 -4.837 -1.746 -3.715 319 HA ASN 54 HA ASN 54 -4.325 0.924 -2.800 320 HB3 ASN 54 HB3 ASN 54 -4.065 -0.164 -0.569 321 HD21 ASN 54 HD22 ASN 54 -5.959 0.544 0.326 322 HD22 ASN 54 HD21 ASN 54 -7.548 0.164 -0.301 323 H VAL 55 H VAL 55 -2.349 -2.060 -2.978 324 HA VAL 55 HA VAL 55 -0.002 -0.760 -1.812 325 HB VAL 55 HB VAL 55 -0.426 -3.037 -1.246 326 HG11 VAL 55 HG11 VAL 55 -1.757 -3.939 -2.899 327 HG12 VAL 55 HG12 VAL 55 -0.580 -3.639 -4.182 328 HG13 VAL 55 HG13 VAL 55 -0.280 -4.894 -2.955 329 HG21 VAL 55 HG21 VAL 55 1.667 -4.133 -1.837 330 HG22 VAL 55 HG22 VAL 55 1.944 -2.993 -3.162 331 HG23 VAL 55 HG23 VAL 55 1.950 -2.423 -1.473 332 H ARG 56 H ARG 56 1.792 0.031 -2.902 333 HA ARG 56 HA ARG 56 2.038 -0.416 -5.796 334 HB3 ARG 56 HB3 ARG 56 2.247 2.396 -4.644 335 HG3 ARG 56 HG3 ARG 56 3.026 1.784 -7.037 336 HD3 ARG 56 HD3 ARG 56 0.980 0.375 -7.568 337 HE ARG 56 HE ARG 56 -0.440 2.843 -6.991 338 HH11 ARG 56 HH11 ARG 56 -0.673 -0.179 -8.800 339 HH12 ARG 56 HH12 ARG 56 -2.169 0.176 -9.551 340 HH21 ARG 56 HH22 ARG 56 -2.563 3.188 -7.641 341 HH22 ARG 56 HH21 ARG 56 -3.358 2.125 -8.759 342 H VAL 57 H VAL 57 4.258 -0.473 -6.398 343 HA VAL 57 HA VAL 57 6.185 0.326 -4.301 344 HB VAL 57 HB VAL 57 6.037 -2.011 -4.171 345 HG11 VAL 57 HG11 VAL 57 6.729 -2.242 -7.098 346 HG12 VAL 57 HG12 VAL 57 6.624 -3.567 -5.955 347 HG13 VAL 57 HG13 VAL 57 5.178 -2.658 -6.356 348 HG21 VAL 57 HG21 VAL 57 8.263 -0.929 -3.920 349 HG22 VAL 57 HG22 VAL 57 8.389 -2.592 -4.512 350 HG23 VAL 57 HG23 VAL 57 8.583 -1.236 -5.630 351 H ILE 58 H ILE 58 7.121 2.040 -4.927 352 HA ILE 58 HA ILE 58 7.101 2.895 -7.717 353 HB ILE 58 HB ILE 58 8.393 4.199 -5.291 354 HG13 ILE 58 HG13 ILE 58 6.379 5.584 -4.990 355 HG21 ILE 58 HG21 ILE 58 9.131 5.229 -7.342 356 HG22 ILE 58 HG22 ILE 58 7.476 5.365 -7.951 357 HG23 ILE 58 HG23 ILE 58 8.004 6.330 -6.562 358 HD11 ILE 58 HD11 ILE 58 5.234 5.378 -7.162 359 HD12 ILE 58 HD12 ILE 58 4.983 3.632 -6.878 360 HD13 ILE 58 HD13 ILE 58 4.192 4.830 -5.847 361 H LYS 59 H LYS 59 8.828 3.008 -9.056 362 HA LYS 59 HA LYS 59 11.204 1.442 -8.248 363 HB3 LYS 59 HB3 LYS 59 11.679 1.266 -10.669 364 HG3 LYS 59 HG3 LYS 59 8.820 0.442 -9.976 365 HD3 LYS 59 HD3 LYS 59 9.271 -1.463 -11.509 366 HE3 LYS 59 HE3 LYS 59 9.701 1.174 -12.977 367 HZ1 LYS 59 HZ1 LYS 59 9.720 -0.885 -14.338 368 HZ2 LYS 59 HZ2 LYS 59 8.459 0.083 -14.686 369 HZ3 LYS 59 HZ3 LYS 59 8.224 -1.265 -13.784 370 H ASP 60 H ASP 60 13.237 2.221 -9.224 371 HA ASP 60 HA ASP 60 13.706 5.040 -8.591 372 HB3 ASP 60 HB3 ASP 60 15.488 2.864 -9.747 373 H LYS 61 H LYS 61 15.067 6.324 -10.236 374 HA LYS 61 HA LYS 61 13.945 6.052 -12.965 375 HB3 LYS 61 HB3 LYS 61 14.771 8.436 -11.307 376 HG3 LYS 61 HG3 LYS 61 15.190 8.994 -13.568 377 HD3 LYS 61 HD3 LYS 61 12.456 7.807 -14.106 378 HE3 LYS 61 HE3 LYS 61 13.900 9.903 -15.764 379 HZ1 LYS 61 HZ1 LYS 61 12.987 8.232 -17.192 380 HZ2 LYS 61 HZ2 LYS 61 12.080 9.601 -17.299 381 HZ3 LYS 61 HZ3 LYS 61 11.507 8.322 -16.444 382 H GLN 62 H GLN 62 16.869 6.259 -10.918 383 HA GLN 62 HA GLN 62 18.647 6.748 -13.160 384 HB3 GLN 62 HB3 GLN 62 20.426 6.319 -11.724 385 HG3 GLN 62 HG3 GLN 62 18.362 7.374 -9.760 386 HE21 GLN 62 HE22 GLN 62 21.583 8.125 -11.400 387 HE22 GLN 62 HE21 GLN 62 22.320 8.728 -9.968 388 H THR 63 H THR 63 17.468 4.014 -11.297 389 HA THR 63 HA THR 63 18.156 2.103 -13.472 390 HB THR 63 HB THR 63 18.327 0.453 -11.650 391 HG1 THR 63 HG1 THR 63 17.810 2.695 -9.966 392 HG21 THR 63 HG21 THR 63 19.908 2.980 -10.982 393 HG22 THR 63 HG22 THR 63 20.274 1.889 -12.337 394 HG23 THR 63 HG23 THR 63 20.356 1.279 -10.676 395 H GLN 64 H GLN 64 16.519 0.040 -12.945 396 HA GLN 64 HA GLN 64 13.769 1.179 -12.909 397 HB3 GLN 64 HB3 GLN 64 13.198 -0.404 -14.688 398 HG3 GLN 64 HG3 GLN 64 14.708 0.353 -16.536 399 HE21 GLN 64 HE22 GLN 64 14.226 2.988 -14.013 400 HE22 GLN 64 HE21 GLN 64 12.946 3.760 -14.907 401 H LEU 65 H LEU 65 14.980 0.384 -10.634 402 HA LEU 65 HA LEU 65 14.077 -2.374 -9.902 403 HB3 LEU 65 HB3 LEU 65 15.804 -2.080 -8.082 404 HG LEU 65 HG LEU 65 16.850 -1.875 -10.936 405 HD11 LEU 65 HD11 LEU 65 19.041 -2.511 -10.000 406 HD12 LEU 65 HD12 LEU 65 18.375 -2.366 -8.351 407 HD13 LEU 65 HD13 LEU 65 18.501 -0.935 -9.396 408 HD21 LEU 65 HD21 LEU 65 17.342 -4.240 -10.672 409 HD22 LEU 65 HD22 LEU 65 15.626 -3.985 -10.281 410 HD23 LEU 65 HD23 LEU 65 16.802 -4.220 -8.985 411 H ASN 66 H ASN 66 13.537 -2.376 -7.455 412 HA ASN 66 HA ASN 66 11.680 -0.155 -6.849 413 HB3 ASN 66 HB3 ASN 66 11.348 -1.188 -4.670 414 HD21 ASN 66 HD22 ASN 66 11.595 -4.115 -4.431 415 HD22 ASN 66 HD21 ASN 66 10.503 -4.786 -5.620 416 H ARG 67 H ARG 67 12.007 1.464 -5.278 417 HA ARG 67 HA ARG 67 14.823 2.235 -5.074 418 HB3 ARG 67 HB3 ARG 67 13.554 4.204 -3.699 419 HG3 ARG 67 HG3 ARG 67 13.338 3.790 -6.674 420 HD3 ARG 67 HD3 ARG 67 13.363 6.174 -4.848 421 HE ARG 67 HE ARG 67 14.959 6.075 -7.354 422 HH11 ARG 67 HH11 ARG 67 13.721 8.169 -4.784 423 HH12 ARG 67 HH12 ARG 67 15.148 9.107 -4.663 424 HH21 ARG 67 HH22 ARG 67 16.658 7.320 -7.441 425 HH22 ARG 67 HH21 ARG 67 16.892 8.710 -6.425 426 H GLY 68 H GLY 68 13.067 0.247 -3.058 427 HA2 GLY 68 HA2 GLY 68 13.969 -0.586 -1.016 428 HA3 GLY 68 HA3 GLY 68 14.776 0.944 -0.725 429 H PHE 69 H PHE 69 11.524 1.382 -1.851 430 HA PHE 69 HA PHE 69 10.309 1.122 0.756 431 HB3 PHE 69 HB3 PHE 69 11.372 3.554 0.426 432 HD1 PHE 69 HD2 PHE 69 11.798 4.065 -2.078 433 HD2 PHE 69 HD1 PHE 69 7.921 4.375 -0.244 434 HE1 PHE 69 HE2 PHE 69 10.987 5.479 -3.985 435 HE2 PHE 69 HE1 PHE 69 7.145 5.835 -2.079 436 HZ PHE 69 HZ PHE 69 8.680 6.384 -3.967 437 H ALA 70 H ALA 70 7.892 1.820 0.462 438 HA ALA 70 HA ALA 70 6.796 1.609 -2.195 439 HB1 ALA 70 HB1 ALA 70 5.361 -0.437 -1.638 440 HB2 ALA 70 HB2 ALA 70 7.073 -0.770 -1.917 441 HB3 ALA 70 HB3 ALA 70 6.440 -0.743 -0.278 442 H PHE 71 H PHE 71 4.225 1.498 -1.875 443 HA PHE 71 HA PHE 71 3.456 3.400 0.292 444 HB3 PHE 71 HB3 PHE 71 1.853 4.039 -1.807 445 HD1 PHE 71 HD2 PHE 71 2.851 5.489 0.506 446 HD2 PHE 71 HD1 PHE 71 4.190 5.481 -3.599 447 HE1 PHE 71 HE2 PHE 71 3.622 7.789 0.753 448 HE2 PHE 71 HE1 PHE 71 4.979 7.803 -3.339 449 HZ PHE 71 HZ PHE 71 4.669 8.996 -1.152 450 H ILE 72 H ILE 72 1.251 3.188 1.002 451 HA ILE 72 HA ILE 72 -0.411 1.083 -0.258 452 HB ILE 72 HB ILE 72 -0.283 1.536 2.743 453 HG13 ILE 72 HG13 ILE 72 1.874 0.666 2.178 454 HG21 ILE 72 HG21 ILE 72 -1.494 -0.673 2.835 455 HG22 ILE 72 HG22 ILE 72 -2.401 0.464 1.920 456 HG23 ILE 72 HG23 ILE 72 -1.448 -0.767 1.059 457 HD11 ILE 72 HD11 ILE 72 0.690 -0.428 4.152 458 HD12 ILE 72 HD12 ILE 72 0.381 -1.807 3.082 459 HD13 ILE 72 HD13 ILE 72 2.036 -1.328 3.440 460 H GLN 73 H GLN 73 -2.791 1.509 0.643 461 HA GLN 73 HA GLN 73 -3.518 4.296 1.092 462 HB3 GLN 73 HB3 GLN 73 -5.356 4.042 -0.609 463 HG3 GLN 73 HG3 GLN 73 -2.525 3.914 -1.718 464 HE21 GLN 73 HE22 GLN 73 -5.954 3.618 -2.686 465 HE22 GLN 73 HE21 GLN 73 -5.603 3.816 -4.382 466 H LEU 74 H LEU 74 -5.464 4.318 2.316 467 HA LEU 74 HA LEU 74 -7.243 2.204 2.969 468 HB3 LEU 74 HB3 LEU 74 -6.174 2.507 5.519 469 HG LEU 74 HG LEU 74 -6.319 0.298 3.632 470 HD11 LEU 74 HD11 LEU 74 -4.430 -1.038 4.490 471 HD12 LEU 74 HD12 LEU 74 -3.791 0.387 5.349 472 HD13 LEU 74 HD13 LEU 74 -3.884 0.369 3.568 473 HD21 LEU 74 HD21 LEU 74 -7.536 0.406 5.747 474 HD22 LEU 74 HD22 LEU 74 -5.997 0.457 6.655 475 HD23 LEU 74 HD23 LEU 74 -6.471 -1.003 5.751 476 H SER 75 H SER 75 -8.689 3.007 4.780 477 HA SER 75 HA SER 75 -9.188 5.803 4.664 478 HB3 SER 75 HB3 SER 75 -11.065 5.280 6.086 479 HG SER 75 HG SER 75 -10.882 4.263 3.909 480 H THR 76 H THR 76 -9.779 6.991 6.784 481 HA THR 76 HA THR 76 -7.422 7.919 7.731 482 HB THR 76 HB THR 76 -8.861 9.235 9.348 483 HG1 THR 76 HG1 THR 76 -10.774 8.591 9.762 484 HG21 THR 76 HG21 THR 76 -9.970 9.067 6.527 485 HG22 THR 76 HG22 THR 76 -8.463 9.905 6.972 486 HG23 THR 76 HG23 THR 76 -10.037 10.465 7.612 487 H ILE 77 H ILE 77 -9.793 6.148 9.761 488 HA ILE 77 HA ILE 77 -8.056 5.972 12.044 489 HB ILE 77 HB ILE 77 -10.534 4.423 11.173 490 HG13 ILE 77 HG13 ILE 77 -10.748 6.805 11.899 491 HG21 ILE 77 HG21 ILE 77 -10.543 3.386 13.467 492 HG22 ILE 77 HG22 ILE 77 -9.249 2.825 12.449 493 HG23 ILE 77 HG23 ILE 77 -8.892 4.019 13.708 494 HD11 ILE 77 HD11 ILE 77 -11.963 4.990 14.009 495 HD12 ILE 77 HD12 ILE 77 -12.534 6.567 13.471 496 HD13 ILE 77 HD13 ILE 77 -12.619 5.186 12.362 497 H GLU 78 H GLU 78 -8.822 3.701 9.388 498 HA GLU 78 HA GLU 78 -7.489 1.541 10.445 499 HB3 GLU 78 HB3 GLU 78 -7.688 0.479 8.333 500 HG3 GLU 78 HG3 GLU 78 -9.927 1.027 7.506 501 H ALA 79 H ALA 79 -6.118 4.091 8.251 502 HA ALA 79 HA ALA 79 -3.579 2.722 8.053 503 HB1 ALA 79 HB1 ALA 79 -4.303 5.660 7.613 504 HB2 ALA 79 HB2 ALA 79 -2.786 4.878 7.120 505 HB3 ALA 79 HB3 ALA 79 -4.324 4.389 6.377 506 H ALA 80 H ALA 80 -5.052 5.221 10.161 507 HA ALA 80 HA ALA 80 -2.580 5.856 11.466 508 HB1 ALA 80 HB1 ALA 80 -5.444 6.588 12.232 509 HB2 ALA 80 HB2 ALA 80 -3.962 7.384 12.802 510 HB3 ALA 80 HB3 ALA 80 -4.413 7.505 11.102 511 H GLN 81 H GLN 81 -4.515 3.171 11.870 512 HA GLN 81 HA GLN 81 -3.618 2.773 14.700 513 HB3 GLN 81 HB3 GLN 81 -6.050 2.977 14.350 514 HG3 GLN 81 HG3 GLN 81 -5.982 1.481 12.138 515 HE21 GLN 81 HE22 GLN 81 -8.124 -0.139 14.403 516 HE22 GLN 81 HE21 GLN 81 -7.450 -1.753 14.107 517 H LEU 82 H LEU 82 -3.898 1.297 11.481 518 HA LEU 82 HA LEU 82 -2.944 -1.242 12.045 519 HB3 LEU 82 HB3 LEU 82 -1.746 -0.862 9.659 520 HG LEU 82 HG LEU 82 -4.772 -0.899 9.996 521 HD11 LEU 82 HD11 LEU 82 -2.987 -1.404 7.571 522 HD12 LEU 82 HD12 LEU 82 -4.091 -0.039 7.801 523 HD13 LEU 82 HD13 LEU 82 -4.759 -1.671 7.638 524 HD21 LEU 82 HD21 LEU 82 -2.702 -3.097 9.557 525 HD22 LEU 82 HD22 LEU 82 -4.463 -3.308 9.387 526 HD23 LEU 82 HD23 LEU 82 -3.794 -2.878 10.952 527 H LEU 83 H LEU 83 -1.069 1.753 11.650 528 HA LEU 83 HA LEU 83 1.508 0.746 11.522 529 HB3 LEU 83 HB3 LEU 83 0.475 3.158 13.070 530 HG LEU 83 HG LEU 83 2.985 2.568 13.429 531 HD11 LEU 83 HD11 LEU 83 3.108 3.499 10.537 532 HD12 LEU 83 HD12 LEU 83 3.379 1.831 11.046 533 HD13 LEU 83 HD13 LEU 83 4.482 3.102 11.598 534 HD21 LEU 83 HD21 LEU 83 2.189 4.761 13.920 535 HD22 LEU 83 HD22 LEU 83 2.137 5.197 12.207 536 HD23 LEU 83 HD23 LEU 83 3.699 4.920 13.019 537 H GLN 84 H GLN 84 -0.615 0.831 14.365 538 HA GLN 84 HA GLN 84 1.557 0.262 16.259 539 HB3 GLN 84 HB3 GLN 84 -0.794 -0.532 17.480 540 HG3 GLN 84 HG3 GLN 84 0.456 2.212 17.387 541 HE21 GLN 84 HE22 GLN 84 -0.629 3.949 18.425 542 HE22 GLN 84 HE21 GLN 84 -2.174 3.754 19.221 543 H ILE 85 H ILE 85 -1.023 -1.594 14.600 544 HA ILE 85 HA ILE 85 -0.525 -4.076 15.902 545 HB ILE 85 HB ILE 85 -1.688 -3.559 13.133 546 HG13 ILE 85 HG13 ILE 85 -2.848 -2.230 14.882 547 HG21 ILE 85 HG21 ILE 85 -2.843 -5.740 13.486 548 HG22 ILE 85 HG22 ILE 85 -1.108 -5.963 13.594 549 HG23 ILE 85 HG23 ILE 85 -2.077 -5.902 15.082 550 HD11 ILE 85 HD11 ILE 85 -4.247 -3.296 13.124 551 HD12 ILE 85 HD12 ILE 85 -4.605 -4.601 14.280 552 HD13 ILE 85 HD13 ILE 85 -5.067 -2.932 14.658 553 H LEU 86 H LEU 86 0.767 -2.581 12.964 554 HA LEU 86 HA LEU 86 2.138 -4.813 11.886 555 HB3 LEU 86 HB3 LEU 86 3.697 -2.757 11.081 556 HG LEU 86 HG LEU 86 2.349 -4.167 9.594 557 HD11 LEU 86 HD11 LEU 86 0.096 -3.854 10.628 558 HD12 LEU 86 HD12 LEU 86 0.090 -3.431 8.910 559 HD13 LEU 86 HD13 LEU 86 0.128 -2.152 10.119 560 HD21 LEU 86 HD21 LEU 86 2.162 -1.169 9.078 561 HD22 LEU 86 HD22 LEU 86 2.088 -2.453 7.845 562 HD23 LEU 86 HD23 LEU 86 3.580 -2.198 8.765 563 H GLN 87 H GLN 87 3.038 -2.834 14.635 564 HA GLN 87 HA GLN 87 5.858 -3.283 14.683 565 HB3 GLN 87 HB3 GLN 87 5.676 -2.565 17.035 566 HG3 GLN 87 HG3 GLN 87 4.330 -0.441 16.603 567 HE21 GLN 87 HE22 GLN 87 5.241 1.176 14.423 568 HE22 GLN 87 HE21 GLN 87 6.980 1.210 14.623 569 H ALA 88 H ALA 88 3.560 -5.650 14.769 570 HA ALA 88 HA ALA 88 5.175 -7.471 16.482 571 HB1 ALA 88 HB1 ALA 88 3.146 -8.334 17.536 572 HB2 ALA 88 HB2 ALA 88 3.264 -6.584 17.800 573 HB3 ALA 88 HB3 ALA 88 2.144 -7.227 16.570 574 H LEU 89 H LEU 89 4.618 -7.166 13.323 575 HA LEU 89 HA LEU 89 4.259 -10.071 13.070 576 HB3 LEU 89 HB3 LEU 89 1.980 -9.119 12.879 577 HG LEU 89 HG LEU 89 3.042 -7.087 11.287 578 HD11 LEU 89 HD11 LEU 89 3.410 -8.651 9.407 579 HD12 LEU 89 HD12 LEU 89 2.249 -7.376 9.043 580 HD13 LEU 89 HD13 LEU 89 1.673 -9.020 9.400 581 HD21 LEU 89 HD21 LEU 89 0.190 -8.150 11.273 582 HD22 LEU 89 HD22 LEU 89 0.698 -6.518 10.773 583 HD23 LEU 89 HD23 LEU 89 0.888 -7.027 12.466 584 H HIS 90 H HIS 90 4.852 -10.914 10.953 585 HA HIS 90 HA HIS 90 6.274 -9.028 9.220 586 HB3 HIS 90 HB3 HIS 90 7.960 -9.938 10.802 587 HD1 HIS 90 HD1 HIS 90 7.578 -13.013 8.392 588 HD2 HIS 90 HD2 HIS 90 8.305 -11.908 12.408 589 HE1 HIS 90 HE1 HIS 90 8.198 -15.128 9.611 590 HA PRO 91 HA PRO 91 4.415 -11.620 6.154 591 HB3 PRO 91 HB3 PRO 91 5.064 -9.994 4.605 592 HG3 PRO 91 HG3 PRO 91 7.262 -9.026 4.649 593 HD3 PRO 91 HD3 PRO 91 6.197 -8.642 6.743 594 HA PRO 92 HA PRO 92 6.789 -15.542 5.866 595 HB3 PRO 92 HB3 PRO 92 4.877 -16.677 5.213 596 HG3 PRO 92 HG3 PRO 92 3.139 -15.567 4.036 597 HD3 PRO 92 HD3 PRO 92 3.580 -14.128 5.848 598 H LEU 93 H LEU 93 6.157 -13.371 3.121 599 HA LEU 93 HA LEU 93 8.312 -14.072 1.429 600 HB3 LEU 93 HB3 LEU 93 7.929 -11.445 0.864 601 HG LEU 93 HG LEU 93 6.027 -11.949 -0.577 602 HD11 LEU 93 HD11 LEU 93 7.199 -13.505 -2.084 603 HD12 LEU 93 HD12 LEU 93 8.334 -13.916 -0.785 604 HD13 LEU 93 HD13 LEU 93 8.284 -12.264 -1.440 605 HD21 LEU 93 HD21 LEU 93 6.190 -14.788 0.480 606 HD22 LEU 93 HD22 LEU 93 5.169 -14.207 -0.849 607 HD23 LEU 93 HD23 LEU 93 4.879 -13.638 0.803 608 H THR 94 H THR 94 10.341 -14.236 2.371 609 HA THR 94 HA THR 94 11.525 -11.591 3.063 610 HB THR 94 HB THR 94 13.115 -14.106 3.422 611 HG1 THR 94 HG1 THR 94 12.516 -13.950 5.670 612 HG21 THR 94 HG21 THR 94 13.203 -11.491 4.917 613 HG22 THR 94 HG22 THR 94 14.241 -11.888 3.520 614 HG23 THR 94 HG23 THR 94 14.364 -12.827 5.000 615 H ILE 95 H ILE 95 13.630 -11.264 1.827 616 HA ILE 95 HA ILE 95 14.192 -12.930 -0.382 617 HB ILE 95 HB ILE 95 12.502 -11.488 -1.570 618 HG13 ILE 95 HG13 ILE 95 15.364 -10.794 -2.311 619 HG21 ILE 95 HG21 ILE 95 12.806 -9.104 -1.791 620 HG22 ILE 95 HG22 ILE 95 12.553 -9.542 -0.084 621 HG23 ILE 95 HG23 ILE 95 14.198 -9.185 -0.681 622 HD11 ILE 95 HD11 ILE 95 13.454 -12.956 -3.321 623 HD12 ILE 95 HD12 ILE 95 15.007 -12.523 -4.059 624 HD13 ILE 95 HD13 ILE 95 14.980 -13.233 -2.442 625 H ASP 96 H ASP 96 16.419 -12.738 -0.664 626 HA ASP 96 HA ASP 96 18.553 -12.273 -0.402 627 HB3 ASP 96 HB3 ASP 96 17.705 -9.453 0.314 628 H GLY 97 H GLY 97 16.749 -10.839 2.247 629 HA2 GLY 97 HA2 GLY 97 17.185 -12.096 4.496 630 HA3 GLY 97 HA3 GLY 97 18.815 -11.442 4.289 631 H LYS 98 H LYS 98 15.709 -9.849 3.363 632 HA LYS 98 HA LYS 98 15.966 -8.149 5.694 633 HB3 LYS 98 HB3 LYS 98 16.976 -6.683 4.316 634 HG3 LYS 98 HG3 LYS 98 16.816 -7.392 2.083 635 HD3 LYS 98 HD3 LYS 98 14.608 -8.393 2.305 636 HE3 LYS 98 HE3 LYS 98 13.515 -5.813 1.266 637 HZ1 LYS 98 HZ1 LYS 98 11.522 -6.785 2.216 638 HZ2 LYS 98 HZ2 LYS 98 12.370 -8.078 2.856 639 HZ3 LYS 98 HZ3 LYS 98 12.183 -7.880 1.249 640 H THR 99 H THR 99 14.176 -6.840 6.039 641 HA THR 99 HA THR 99 11.566 -8.145 5.524 642 HB THR 99 HB THR 99 11.195 -7.930 8.062 643 HG1 THR 99 HG1 THR 99 13.161 -6.859 8.499 644 HG21 THR 99 HG21 THR 99 12.119 -10.225 8.457 645 HG22 THR 99 HG22 THR 99 12.966 -10.125 6.896 646 HG23 THR 99 HG23 THR 99 11.192 -10.092 6.948 647 H ILE 100 H ILE 100 9.916 -6.686 7.129 648 HA ILE 100 HA ILE 100 10.070 -4.159 5.552 649 HB ILE 100 HB ILE 100 7.763 -5.891 6.286 650 HG13 ILE 100 HG13 ILE 100 7.763 -6.632 3.847 651 HG21 ILE 100 HG21 ILE 100 6.492 -4.777 4.514 652 HG22 ILE 100 HG22 ILE 100 7.044 -3.647 5.759 653 HG23 ILE 100 HG23 ILE 100 7.871 -3.709 4.195 654 HD11 ILE 100 HD11 ILE 100 9.282 -4.909 2.862 655 HD12 ILE 100 HD12 ILE 100 10.646 -5.581 3.778 656 HD13 ILE 100 HD13 ILE 100 9.813 -6.557 2.590 657 H ASN 101 H ASN 101 10.433 -2.784 6.858 658 HA ASN 101 HA ASN 101 10.130 -2.550 9.730 659 HB3 ASN 101 HB3 ASN 101 10.356 -0.006 8.157 660 HD21 ASN 101 HD22 ASN 101 13.288 -1.265 9.539 661 HD22 ASN 101 HD21 ASN 101 13.080 -0.583 11.140 662 H VAL 102 H VAL 102 8.982 -0.351 10.569 663 HA VAL 102 HA VAL 102 6.190 -0.364 9.535 664 HB VAL 102 HB VAL 102 7.085 -0.494 12.431 665 HG11 VAL 102 HG11 VAL 102 4.354 -0.463 11.066 666 HG12 VAL 102 HG12 VAL 102 4.604 -0.943 12.754 667 HG13 VAL 102 HG13 VAL 102 4.996 0.700 12.247 668 HG21 VAL 102 HG21 VAL 102 7.469 -2.662 11.328 669 HG22 VAL 102 HG22 VAL 102 6.089 -2.763 12.394 670 HG23 VAL 102 HG23 VAL 102 5.849 -2.625 10.635 671 H GLU 103 H GLU 103 5.614 1.674 8.876 672 HA GLU 103 HA GLU 103 6.266 3.983 10.405 673 HB3 GLU 103 HB3 GLU 103 7.548 3.437 7.675 674 HG3 GLU 103 HG3 GLU 103 6.880 5.799 7.637 675 H PHE 104 H PHE 104 5.136 5.911 9.254 676 HA PHE 104 HA PHE 104 3.424 5.173 7.013 677 HB3 PHE 104 HB3 PHE 104 2.033 4.824 8.951 678 HD1 PHE 104 HD2 PHE 104 4.134 7.235 10.195 679 HD2 PHE 104 HD1 PHE 104 -0.082 6.387 9.848 680 HE1 PHE 104 HE2 PHE 104 3.699 8.565 12.203 681 HE2 PHE 104 HE1 PHE 104 -0.521 7.801 11.843 682 HZ PHE 104 HZ PHE 104 1.361 8.912 13.005 683 H ALA 105 H ALA 105 2.455 7.157 6.011 684 HA ALA 105 HA ALA 105 4.201 9.550 6.149 685 HB1 ALA 105 HB1 ALA 105 3.533 7.937 3.671 686 HB2 ALA 105 HB2 ALA 105 4.362 9.503 3.695 687 HB3 ALA 105 HB3 ALA 105 5.135 8.089 4.433 688 H LYS 106 H LYS 106 1.481 8.913 7.058 689 HA LYS 106 HA LYS 106 -0.531 9.765 5.277 690 HB3 LYS 106 HB3 LYS 106 -1.004 8.327 7.118 691 HG3 LYS 106 HG3 LYS 106 0.530 9.230 8.899 692 HD3 LYS 106 HD3 LYS 106 -1.034 10.901 10.362 693 HE3 LYS 106 HE3 LYS 106 1.155 11.513 8.400 694 HZ1 LYS 106 HZ1 LYS 106 0.011 13.479 10.230 695 HZ2 LYS 106 HZ2 LYS 106 -0.397 13.462 8.609 696 HZ3 LYS 106 HZ3 LYS 106 1.171 13.696 9.085 697 H GLY 107 H GLY 107 -2.161 11.588 6.037 698 HA2 GLY 107 HA2 GLY 107 -0.580 14.091 5.964 699 HA3 GLY 107 HA3 GLY 107 -1.737 13.675 4.701 700 H SER 108 H SER 108 -3.010 15.535 5.106 701 HA SER 108 HA SER 108 -4.874 15.305 7.349 702 HB3 SER 108 HB3 SER 108 -4.651 17.739 7.812 703 HG SER 108 HG SER 108 -2.053 16.623 7.929 704 H LYS 109 H LYS 109 -6.622 17.129 6.890 705 HA LYS 109 HA LYS 109 -7.524 16.640 4.118 706 HB3 LYS 109 HB3 LYS 109 -9.010 16.015 5.963 707 HG3 LYS 109 HG3 LYS 109 -8.885 19.001 6.688 708 HD3 LYS 109 HD3 LYS 109 -10.767 16.780 7.493 709 HE3 LYS 109 HE3 LYS 109 -10.498 19.531 8.766 710 HZ1 LYS 109 HZ1 LYS 109 -11.857 17.065 9.641 711 HZ2 LYS 109 HZ2 LYS 109 -12.622 18.366 8.995 712 HZ3 LYS 109 HZ3 LYS 109 -11.890 18.504 10.450 713 H ARG 110 H ARG 110 -5.441 18.773 4.947 714 HA ARG 110 HA ARG 110 -6.809 21.071 3.732 715 HB3 ARG 110 HB3 ARG 110 -6.697 21.651 6.084 716 HG3 ARG 110 HG3 ARG 110 -3.962 20.517 6.022 717 HD3 ARG 110 HD3 ARG 110 -3.369 22.910 5.814 718 HE ARG 110 HE ARG 110 -5.497 23.338 7.603 719 HH11 ARG 110 HH11 ARG 110 -2.197 24.479 7.064 720 HH12 ARG 110 HH12 ARG 110 -2.307 25.853 8.087 721 HH21 ARG 110 HH22 ARG 110 -5.782 25.285 8.738 722 HH22 ARG 110 HH21 ARG 110 -4.463 26.355 9.087 723 H ASP 111 H ASP 111 -5.512 22.181 2.330 724 HA ASP 111 HA ASP 111 -2.719 21.663 1.989 725 HB3 ASP 111 HB3 ASP 111 -4.264 21.218 -0.556 726 H MET 112 H MET 112 -2.391 22.991 -0.436 727 HA MET 112 HA MET 112 -4.051 25.444 -0.270 728 HB3 MET 112 HB3 MET 112 -1.014 25.382 -0.220 729 HG3 MET 112 HG3 MET 112 -1.557 27.973 0.058 730 HE1 MET 112 HE1 MET 112 -2.629 28.770 -3.072 731 HE2 MET 112 HE2 MET 112 -1.276 29.711 -2.365 732 HE3 MET 112 HE3 MET 112 -1.090 28.934 -3.946 733 H ALA 113 H ALA 113 -4.638 26.248 -2.136 734 HA ALA 113 HA ALA 113 -3.458 25.825 -4.682 735 HB1 ALA 113 HB1 ALA 113 -5.376 24.661 -5.699 736 HB2 ALA 113 HB2 ALA 113 -4.674 23.641 -4.447 737 HB3 ALA 113 HB3 ALA 113 -6.176 24.531 -4.119 738 H SER 114 H SER 114 -5.702 26.662 -6.130 739 HA SER 114 HA SER 114 -7.178 28.593 -4.456 740 HB3 SER 114 HB3 SER 114 -7.716 29.790 -6.516 741 HG SER 114 HG SER 114 -4.951 29.732 -6.520 742 H ASN 115 H ASN 115 -9.388 28.893 -5.349 743 HA ASN 115 HA ASN 115 -10.592 26.525 -6.701 744 HB3 ASN 115 HB3 ASN 115 -11.502 26.334 -4.547 745 HD21 ASN 115 HD22 ASN 115 -12.627 29.759 -5.188 746 HD22 ASN 115 HD21 ASN 115 -12.058 30.345 -3.644 747 H GLU 116 H GLU 116 -12.585 27.222 -7.990 748 HA GLU 116 HA GLU 116 -12.375 30.047 -8.931 749 HB3 GLU 116 HB3 GLU 116 -12.996 29.048 -11.202 750 HG3 GLU 116 HG3 GLU 116 -10.199 28.287 -10.288 751 H GLY 117 H GLY 117 -14.329 31.055 -9.182 752 HA2 GLY 117 HA2 GLY 117 -16.575 29.627 -7.920 753 HA3 GLY 117 HA3 GLY 117 -16.320 31.358 -8.040 754 H SER 118 H SER 118 -15.811 31.425 -10.887 755 HA SER 118 HA SER 118 -18.431 32.009 -11.698 756 HB3 SER 118 HB3 SER 118 -17.337 32.647 -13.789 757 HG SER 118 HG SER 118 -16.932 33.980 -12.007 758 H ARG 119 H ARG 119 -20.020 30.731 -12.587 759 HA ARG 119 HA ARG 119 -19.411 28.173 -13.835 760 HB3 ARG 119 HB3 ARG 119 -20.531 28.394 -11.001 761 HG3 ARG 119 HG3 ARG 119 -21.979 26.793 -12.008 762 HD3 ARG 119 HD3 ARG 119 -20.965 26.358 -14.126 763 HE ARG 119 HE ARG 119 -18.608 25.740 -12.621 764 HH11 ARG 119 HH11 ARG 119 -20.322 24.429 -15.417 765 HH12 ARG 119 HH12 ARG 119 -18.886 24.226 -16.373 766 HH21 ARG 119 HH22 ARG 119 -16.757 25.486 -13.792 767 HH22 ARG 119 HH21 ARG 119 -16.678 24.446 -15.154 768 H ILE 120 H ILE 120 -20.637 28.831 -15.507 769 HA ILE 120 HA ILE 120 -23.546 28.743 -15.093 770 HB ILE 120 HB ILE 120 -22.377 31.019 -16.737 771 HG13 ILE 120 HG13 ILE 120 -22.051 31.411 -14.297 772 HG21 ILE 120 HG21 ILE 120 -25.264 30.396 -15.936 773 HG22 ILE 120 HG22 ILE 120 -24.729 31.774 -16.919 774 HG23 ILE 120 HG23 ILE 120 -24.570 30.147 -17.553 775 HD11 ILE 120 HD11 ILE 120 -23.019 33.570 -14.069 776 HD12 ILE 120 HD12 ILE 120 -22.548 33.374 -15.768 777 HD13 ILE 120 HD13 ILE 120 -24.260 33.244 -15.283 778 H SER 121 H SER 121 -24.387 27.426 -16.567 779 HA SER 121 HA SER 121 -23.351 27.356 -19.321 780 HB3 SER 121 HB3 SER 121 -23.663 24.929 -19.457 781 HG SER 121 HG SER 121 -21.623 25.344 -18.816 782 H ALA 122 H ALA 122 -25.117 26.444 -20.743 783 HA ALA 122 HA ALA 122 -27.182 26.585 -21.614 784 HB1 ALA 122 HB1 ALA 122 -27.985 25.336 -18.962 785 HB2 ALA 122 HB2 ALA 122 -28.934 25.319 -20.461 786 HB3 ALA 122 HB3 ALA 122 -27.380 24.468 -20.397 787 H ALA 123 H ALA 123 -26.555 28.964 -21.147 788 HA ALA 123 HA ALA 123 -29.017 30.302 -20.220 789 HB1 ALA 123 HB1 ALA 123 -27.495 30.538 -18.313 790 HB2 ALA 123 HB2 ALA 123 -26.202 31.146 -19.361 791 HB3 ALA 123 HB3 ALA 123 -27.690 32.100 -19.134 792 H SER 124 H SER 124 -25.785 31.444 -21.391 793 HA SER 124 HA SER 124 -26.633 31.458 -24.117 794 HB3 SER 124 HB3 SER 124 -26.051 34.162 -22.813 795 HG SER 124 HG SER 124 -26.980 34.768 -24.954 796 H VAL 125 H VAL 125 -24.640 32.678 -25.346 797 HA VAL 125 HA VAL 125 -22.131 32.598 -23.959 798 HB VAL 125 HB VAL 125 -22.313 30.221 -24.380 799 HG11 VAL 125 HG11 VAL 125 -22.690 30.812 -27.341 800 HG12 VAL 125 HG12 VAL 125 -22.466 29.212 -26.596 801 HG13 VAL 125 HG13 VAL 125 -23.915 30.152 -26.241 802 HG21 VAL 125 HG21 VAL 125 -20.267 29.830 -25.632 803 HG22 VAL 125 HG22 VAL 125 -20.354 31.438 -26.366 804 HG23 VAL 125 HG23 VAL 125 -20.093 31.264 -24.614 805 H ALA 126 H ALA 126 -20.692 33.966 -25.033 806 HA ALA 126 HA ALA 126 -21.089 34.709 -27.821 807 HB1 ALA 126 HB1 ALA 126 -21.271 36.795 -25.592 808 HB2 ALA 126 HB2 ALA 126 -21.080 37.145 -27.322 809 HB3 ALA 126 HB3 ALA 126 -22.560 36.358 -26.737 810 H SER 127 H SER 127 -19.127 33.432 -27.806 811 HA SER 127 HA SER 127 -16.727 34.774 -26.686 812 HB3 SER 127 HB3 SER 127 -16.121 32.848 -25.379 813 HG SER 127 HG SER 127 -17.921 34.336 -24.658 814 H THR 128 H THR 128 -17.933 33.728 -29.472 815 HA THR 128 HA THR 128 -15.913 31.919 -30.460 816 HB THR 128 HB THR 128 -16.983 32.862 -32.657 817 HG1 THR 128 HG1 THR 128 -17.877 34.729 -31.710 818 HG21 THR 128 HG21 THR 128 -17.621 30.672 -31.686 819 HG22 THR 128 HG22 THR 128 -19.019 31.510 -32.380 820 HG23 THR 128 HG23 THR 128 -18.794 31.479 -30.620 821 H ALA 129 H ALA 129 -14.201 32.544 -31.922 822 HA ALA 129 HA ALA 129 -13.687 35.353 -32.409 823 HB1 ALA 129 HB1 ALA 129 -12.288 34.887 -30.406 824 HB2 ALA 129 HB2 ALA 129 -11.577 33.480 -31.233 825 HB3 ALA 129 HB3 ALA 129 -11.283 35.117 -31.852 826 H ILE 130 H ILE 130 -11.737 35.299 -34.117 827 HA ILE 130 HA ILE 130 -11.693 32.944 -35.799 828 HB ILE 130 HB ILE 130 -12.205 34.208 -37.839 829 HG13 ILE 130 HG13 ILE 130 -11.644 36.500 -36.944 830 HG21 ILE 130 HG21 ILE 130 -14.569 34.405 -35.935 831 HG22 ILE 130 HG22 ILE 130 -14.598 34.163 -37.694 832 HG23 ILE 130 HG23 ILE 130 -13.972 32.889 -36.645 833 HD11 ILE 130 HD11 ILE 130 -13.246 37.745 -38.225 834 HD12 ILE 130 HD12 ILE 130 -12.861 36.248 -39.099 835 HD13 ILE 130 HD13 ILE 130 -14.401 36.405 -38.214 836 H ALA 131 H ALA 131 -10.171 33.835 -37.820 837 HA ALA 131 HA ALA 131 -8.370 35.892 -37.110 838 HB1 ALA 131 HB1 ALA 131 -7.395 33.165 -38.098 839 HB2 ALA 131 HB2 ALA 131 -6.430 34.655 -38.022 840 HB3 ALA 131 HB3 ALA 131 -6.993 33.892 -36.511 Start of MODEL 12 1 H1 GLN 1 H1 GLN 1 29.824 -33.046 -5.114 2 HA GLN 1 HA GLN 1 31.794 -31.647 -5.440 3 HB3 GLN 1 HB3 GLN 1 32.974 -32.723 -7.149 4 HG3 GLN 1 HG3 GLN 1 30.399 -32.885 -8.652 5 HE21 GLN 1 HE22 GLN 1 32.584 -34.106 -10.816 6 HE22 GLN 1 HE21 GLN 1 32.675 -32.679 -11.827 7 H ALA 2 H ALA 2 30.498 -29.990 -4.640 8 HA ALA 2 HA ALA 2 29.162 -28.320 -6.522 9 HB1 ALA 2 HB1 ALA 2 27.652 -29.554 -4.149 10 HB2 ALA 2 HB2 ALA 2 27.082 -28.226 -5.179 11 HB3 ALA 2 HB3 ALA 2 27.281 -29.842 -5.870 12 H GLN 3 H GLN 3 29.091 -26.176 -5.464 13 HA GLN 3 HA GLN 3 29.897 -25.690 -2.815 14 HB3 GLN 3 HB3 GLN 3 32.093 -26.475 -3.534 15 HG3 GLN 3 HG3 GLN 3 31.820 -25.798 -6.061 16 HE21 GLN 3 HE22 GLN 3 31.705 -23.977 -7.493 17 HE22 GLN 3 HE21 GLN 3 32.420 -22.435 -7.064 18 H GLY 4 H GLY 4 30.989 -23.070 -3.333 19 HA2 GLY 4 HA2 GLY 4 30.795 -21.094 -4.347 20 HA3 GLY 4 HA3 GLY 4 30.145 -22.004 -5.712 21 H VAL 5 H VAL 5 27.969 -22.385 -3.159 22 HA VAL 5 HA VAL 5 26.510 -19.859 -3.771 23 HB VAL 5 HB VAL 5 24.387 -21.205 -3.463 24 HG11 VAL 5 HG11 VAL 5 24.301 -21.829 -5.808 25 HG12 VAL 5 HG12 VAL 5 25.174 -20.306 -5.632 26 HG13 VAL 5 HG13 VAL 5 26.073 -21.828 -5.925 27 HG21 VAL 5 HG21 VAL 5 24.390 -23.569 -3.990 28 HG22 VAL 5 HG22 VAL 5 26.141 -23.577 -4.242 29 HG23 VAL 5 HG23 VAL 5 25.476 -23.339 -2.617 30 H LEU 6 H LEU 6 28.021 -19.326 -2.009 31 HA LEU 6 HA LEU 6 26.815 -19.719 0.671 32 HB3 LEU 6 HB3 LEU 6 28.594 -18.159 1.378 33 HG LEU 6 HG LEU 6 28.855 -20.781 1.238 34 HD11 LEU 6 HD11 LEU 6 29.671 -20.944 -1.092 35 HD12 LEU 6 HD12 LEU 6 30.929 -21.449 0.033 36 HD13 LEU 6 HD13 LEU 6 31.003 -19.838 -0.721 37 HD21 LEU 6 HD21 LEU 6 29.965 -19.322 2.869 38 HD22 LEU 6 HD22 LEU 6 31.216 -18.911 1.672 39 HD23 LEU 6 HD23 LEU 6 31.069 -20.573 2.287 40 H ALA 7 H ALA 7 26.740 -17.219 1.683 41 HA ALA 7 HA ALA 7 25.566 -15.344 -0.232 42 HB1 ALA 7 HB1 ALA 7 23.553 -15.055 1.227 43 HB2 ALA 7 HB2 ALA 7 23.620 -16.667 0.490 44 HB3 ALA 7 HB3 ALA 7 24.067 -16.432 2.205 45 H SER 8 H SER 8 25.571 -13.291 0.506 46 HA SER 8 HA SER 8 26.446 -12.427 3.088 47 HB3 SER 8 HB3 SER 8 28.453 -11.212 2.215 48 HG SER 8 HG SER 8 29.807 -12.840 2.306 49 H GLN 9 H GLN 9 26.096 -10.065 3.115 50 HA GLN 9 HA GLN 9 24.821 -8.925 0.680 51 HB3 GLN 9 HB3 GLN 9 23.085 -9.438 2.276 52 HG3 GLN 9 HG3 GLN 9 24.455 -7.590 4.293 53 HE21 GLN 9 HE22 GLN 9 23.295 -9.572 6.302 54 HE22 GLN 9 HE21 GLN 9 21.580 -9.218 6.384 55 H ALA 10 H ALA 10 25.480 -6.862 0.114 56 HA ALA 10 HA ALA 10 27.273 -5.338 1.894 57 HB1 ALA 10 HB1 ALA 10 28.050 -6.501 -0.841 58 HB2 ALA 10 HB2 ALA 10 28.968 -5.237 0.010 59 HB3 ALA 10 HB3 ALA 10 28.824 -6.850 0.729 60 H LEU 11 H LEU 11 25.602 -3.768 1.937 61 HA LEU 11 HA LEU 11 24.954 -2.432 -0.648 62 HB3 LEU 11 HB3 LEU 11 22.593 -2.409 0.170 63 HG LEU 11 HG LEU 11 23.812 -5.207 -0.107 64 HD11 LEU 11 HD11 LEU 11 20.932 -4.343 0.041 65 HD12 LEU 11 HD12 LEU 11 21.851 -5.336 1.243 66 HD13 LEU 11 HD13 LEU 11 21.514 -5.982 -0.369 67 HD21 LEU 11 HD21 LEU 11 23.982 -3.846 -2.147 68 HD22 LEU 11 HD22 LEU 11 22.260 -3.437 -2.029 69 HD23 LEU 11 HD23 LEU 11 22.763 -5.116 -2.337 70 H SER 12 H SER 12 25.549 -0.308 -0.402 71 HA SER 12 HA SER 12 25.560 1.036 2.160 72 HB3 SER 12 HB3 SER 12 27.089 1.966 0.736 73 HG SER 12 HG SER 12 26.820 2.270 -1.442 74 H GLN 13 H GLN 13 24.191 2.887 2.660 75 HA GLN 13 HA GLN 13 21.598 3.017 1.252 76 HB3 GLN 13 HB3 GLN 13 21.189 1.816 3.357 77 HG3 GLN 13 HG3 GLN 13 22.289 4.324 4.711 78 HE21 GLN 13 HE22 GLN 13 22.189 1.741 6.883 79 HE22 GLN 13 HE21 GLN 13 20.666 2.112 7.626 80 H GLY 14 H GLY 14 20.550 5.183 1.694 81 HA2 GLY 14 HA2 GLY 14 21.331 7.433 2.746 82 HA3 GLY 14 HA3 GLY 14 22.530 7.341 1.450 83 H SER 15 H SER 15 19.232 8.310 2.148 84 HA SER 15 HA SER 15 18.959 9.495 -0.330 85 HB3 SER 15 HB3 SER 15 18.256 7.562 -1.420 86 HG SER 15 HG SER 15 16.353 6.487 0.095 87 H GLU 16 H GLU 16 17.223 10.984 -0.247 88 HA GLU 16 HA GLU 16 15.532 11.096 2.186 89 HB3 GLU 16 HB3 GLU 16 17.321 12.298 2.990 90 HG3 GLU 16 HG3 GLU 16 17.488 13.821 0.353 91 HA PRO 17 HA PRO 17 13.019 12.656 -1.380 92 HB3 PRO 17 HB3 PRO 17 12.414 10.532 -2.046 93 HG3 PRO 17 HG3 PRO 17 12.351 8.706 -0.553 94 HD3 PRO 17 HD3 PRO 17 14.500 9.492 -0.154 95 H SER 18 H SER 18 12.643 14.605 -0.229 96 HA SER 18 HA SER 18 10.890 14.784 2.075 97 HB3 SER 18 HB3 SER 18 11.201 16.906 -0.083 98 HG SER 18 HG SER 18 9.962 17.647 1.566 99 H SER 19 H SER 19 8.539 15.150 1.995 100 HA SER 19 HA SER 19 7.186 14.944 -0.543 101 HB3 SER 19 HB3 SER 19 6.654 12.659 1.391 102 HG SER 19 HG SER 19 5.350 12.075 -0.152 103 H GLU 20 H GLU 20 6.105 16.777 -0.060 104 HA GLU 20 HA GLU 20 4.759 17.160 2.520 105 HB3 GLU 20 HB3 GLU 20 4.246 19.384 1.617 106 HG3 GLU 20 HG3 GLU 20 6.491 18.969 2.670 107 H ASN 21 H ASN 21 3.172 15.493 2.424 108 HA ASN 21 HA ASN 21 0.948 15.952 0.504 109 HB3 ASN 21 HB3 ASN 21 0.773 13.303 0.652 110 HD21 ASN 21 HD22 ASN 21 3.079 15.571 -0.885 111 HD22 ASN 21 HD21 ASN 21 2.619 15.137 -2.502 112 H ALA 22 H ALA 22 -0.970 15.908 1.468 113 HA ALA 22 HA ALA 22 -0.928 15.887 4.393 114 HB1 ALA 22 HB1 ALA 22 -2.834 17.218 2.434 115 HB2 ALA 22 HB2 ALA 22 -2.736 17.522 4.185 116 HB3 ALA 22 HB3 ALA 22 -1.396 17.999 3.123 117 H ASN 23 H ASN 23 -1.334 13.300 3.007 118 HA ASN 23 HA ASN 23 -4.239 12.896 3.310 119 HB3 ASN 23 HB3 ASN 23 -2.452 11.758 1.158 120 HD21 ASN 23 HD22 ASN 23 -5.806 12.223 2.485 121 HD22 ASN 23 HD21 ASN 23 -6.535 11.522 1.085 122 H ASP 24 H ASP 24 -4.428 10.170 2.921 123 HA ASP 24 HA ASP 24 -2.954 9.158 5.246 124 HB3 ASP 24 HB3 ASP 24 -5.123 8.801 5.613 125 H THR 25 H THR 25 -1.364 7.674 5.100 126 HA THR 25 HA THR 25 -0.937 6.041 2.784 127 HB THR 25 HB THR 25 0.993 8.298 3.473 128 HG1 THR 25 HG1 THR 25 -1.014 8.249 1.839 129 HG21 THR 25 HG21 THR 25 2.220 6.214 2.858 130 HG22 THR 25 HG22 THR 25 2.411 7.511 1.704 131 HG23 THR 25 HG23 THR 25 1.310 6.152 1.332 132 H ILE 26 H ILE 26 0.055 4.204 3.540 133 HA ILE 26 HA ILE 26 1.833 4.405 5.932 134 HB ILE 26 HB ILE 26 0.384 1.996 4.784 135 HG13 ILE 26 HG13 ILE 26 -0.702 1.769 6.905 136 HG21 ILE 26 HG21 ILE 26 2.530 2.030 6.933 137 HG22 ILE 26 HG22 ILE 26 1.430 0.670 6.623 138 HG23 ILE 26 HG23 ILE 26 2.567 1.175 5.378 139 HD11 ILE 26 HD11 ILE 26 0.933 2.707 8.491 140 HD12 ILE 26 HD12 ILE 26 0.686 4.327 7.780 141 HD13 ILE 26 HD13 ILE 26 -0.625 3.521 8.620 142 H ILE 27 H ILE 27 3.942 3.475 5.651 143 HA ILE 27 HA ILE 27 4.825 3.063 2.876 144 HB ILE 27 HB ILE 27 5.139 5.463 3.574 145 HG13 ILE 27 HG13 ILE 27 7.471 3.753 2.728 146 HG21 ILE 27 HG21 ILE 27 7.240 4.454 5.496 147 HG22 ILE 27 HG22 ILE 27 6.733 6.121 5.169 148 HG23 ILE 27 HG23 ILE 27 5.624 5.004 5.978 149 HD11 ILE 27 HD11 ILE 27 6.059 6.244 1.648 150 HD12 ILE 27 HD12 ILE 27 7.477 5.508 0.905 151 HD13 ILE 27 HD13 ILE 27 5.956 4.581 1.017 152 H LEU 28 H LEU 28 6.425 1.498 2.791 153 HA LEU 28 HA LEU 28 7.069 0.037 5.341 154 HB3 LEU 28 HB3 LEU 28 7.499 -1.887 3.869 155 HG LEU 28 HG LEU 28 5.398 -2.611 3.173 156 HD11 LEU 28 HD11 LEU 28 3.923 -2.218 5.083 157 HD12 LEU 28 HD12 LEU 28 4.854 -0.783 5.556 158 HD13 LEU 28 HD13 LEU 28 5.594 -2.388 5.636 159 HD21 LEU 28 HD21 LEU 28 4.048 0.070 3.405 160 HD22 LEU 28 HD22 LEU 28 3.597 -1.381 2.486 161 HD23 LEU 28 HD23 LEU 28 4.904 -0.368 1.917 162 H ARG 29 H ARG 29 9.348 -0.448 5.663 163 HA ARG 29 HA ARG 29 11.185 0.859 3.692 164 HB3 ARG 29 HB3 ARG 29 12.355 1.996 5.380 165 HG3 ARG 29 HG3 ARG 29 9.427 2.315 6.190 166 HD3 ARG 29 HD3 ARG 29 10.941 3.473 7.703 167 HE ARG 29 HE ARG 29 12.811 3.903 6.133 168 HH11 ARG 29 HH11 ARG 29 10.309 6.432 6.648 169 HH12 ARG 29 HH12 ARG 29 11.319 7.723 6.219 170 HH21 ARG 29 HH22 ARG 29 14.131 5.605 5.437 171 HH22 ARG 29 HH21 ARG 29 13.698 7.233 5.759 172 H ASN 30 H ASN 30 13.514 0.230 4.082 173 HA ASN 30 HA ASN 30 15.094 -1.325 4.019 174 HB3 ASN 30 HB3 ASN 30 13.648 -2.850 6.148 175 HD21 ASN 30 HD22 ASN 30 14.770 -4.711 6.701 176 HD22 ASN 30 HD21 ASN 30 16.464 -5.026 6.286 177 H LEU 31 H LEU 31 13.811 -1.480 1.938 178 HA LEU 31 HA LEU 31 13.140 -4.340 1.449 179 HB3 LEU 31 HB3 LEU 31 11.988 -3.502 -0.610 180 HG LEU 31 HG LEU 31 10.937 -3.945 1.689 181 HD11 LEU 31 HD11 LEU 31 10.926 -2.382 3.094 182 HD12 LEU 31 HD12 LEU 31 9.680 -1.527 2.178 183 HD13 LEU 31 HD13 LEU 31 11.412 -1.137 1.933 184 HD21 LEU 31 HD21 LEU 31 9.525 -2.078 -0.291 185 HD22 LEU 31 HD22 LEU 31 8.720 -3.213 0.830 186 HD23 LEU 31 HD23 LEU 31 9.712 -3.826 -0.503 187 H ASN 32 H ASN 32 13.491 -4.762 -0.861 188 HA ASN 32 HA ASN 32 16.247 -3.902 -1.683 189 HB3 ASN 32 HB3 ASN 32 15.601 -6.557 -2.642 190 HD21 ASN 32 HD22 ASN 32 17.384 -8.202 -1.981 191 HD22 ASN 32 HD21 ASN 32 18.950 -7.504 -1.724 192 HA PRO 33 HA PRO 33 14.587 -2.870 -5.575 193 HB3 PRO 33 HB3 PRO 33 16.514 -2.433 -6.620 194 HG3 PRO 33 HG3 PRO 33 18.475 -3.356 -5.792 195 HD3 PRO 33 HD3 PRO 33 17.397 -3.059 -3.740 196 H HIS 34 H HIS 34 15.351 -6.351 -5.195 197 HA HIS 34 HA HIS 34 13.154 -7.079 -7.019 198 HB3 HIS 34 HB3 HIS 34 14.037 -9.414 -6.491 199 HD1 HIS 34 HD1 HIS 34 13.829 -9.279 -9.153 200 HD2 HIS 34 HD2 HIS 34 17.067 -7.167 -7.446 201 HE1 HIS 34 HE1 HIS 34 15.233 -8.442 -11.079 202 H SER 35 H SER 35 12.707 -5.972 -3.948 203 HA SER 35 HA SER 35 11.342 -8.238 -2.864 204 HB3 SER 35 HB3 SER 35 10.222 -6.639 -1.436 205 HG SER 35 HG SER 35 12.030 -6.686 -0.388 206 H THR 36 H THR 36 9.035 -8.401 -2.883 207 HA THR 36 HA THR 36 7.644 -7.335 -5.320 208 HB THR 36 HB THR 36 6.284 -9.545 -5.013 209 HG1 THR 36 HG1 THR 36 8.769 -10.442 -3.988 210 HG21 THR 36 HG21 THR 36 9.110 -9.524 -6.150 211 HG22 THR 36 HG22 THR 36 7.612 -9.004 -6.971 212 HG23 THR 36 HG23 THR 36 7.824 -10.701 -6.524 213 H MET 37 H MET 37 5.226 -7.251 -5.161 214 HA MET 37 HA MET 37 4.637 -5.627 -2.881 215 HB3 MET 37 HB3 MET 37 3.801 -5.611 -5.407 216 HG3 MET 37 HG3 MET 37 1.344 -6.763 -4.030 217 HE1 MET 37 HE1 MET 37 0.286 -3.994 -6.799 218 HE2 MET 37 HE2 MET 37 0.729 -4.194 -5.088 219 HE3 MET 37 HE3 MET 37 1.996 -3.987 -6.315 220 H ASP 38 H ASP 38 4.248 -9.015 -3.513 221 HA ASP 38 HA ASP 38 1.845 -9.414 -2.087 222 HB3 ASP 38 HB3 ASP 38 2.663 -11.886 -2.065 223 H SER 39 H SER 39 5.151 -9.113 -0.815 224 HA SER 39 HA SER 39 4.729 -10.213 1.731 225 HB3 SER 39 HB3 SER 39 6.887 -9.407 1.429 226 HG SER 39 HG SER 39 5.999 -6.828 0.729 227 H ILE 40 H ILE 40 3.529 -7.083 0.427 228 HA ILE 40 HA ILE 40 2.569 -6.234 3.056 229 HB ILE 40 HB ILE 40 1.860 -5.154 0.284 230 HG13 ILE 40 HG13 ILE 40 4.250 -4.598 2.055 231 HG21 ILE 40 HG21 ILE 40 1.660 -3.869 3.038 232 HG22 ILE 40 HG22 ILE 40 1.228 -3.113 1.482 233 HG23 ILE 40 HG23 ILE 40 0.300 -4.477 2.079 234 HD11 ILE 40 HD11 ILE 40 5.318 -3.999 -0.107 235 HD12 ILE 40 HD12 ILE 40 4.683 -5.649 -0.170 236 HD13 ILE 40 HD13 ILE 40 3.802 -4.321 -0.960 237 H LEU 41 H LEU 41 1.181 -7.638 0.050 238 HA LEU 41 HA LEU 41 -1.518 -7.575 1.005 239 HB3 LEU 41 HB3 LEU 41 -1.886 -9.348 -0.806 240 HG LEU 41 HG LEU 41 -0.557 -6.727 -1.587 241 HD11 LEU 41 HD11 LEU 41 -2.287 -8.641 -3.194 242 HD12 LEU 41 HD12 LEU 41 -0.555 -8.369 -3.421 243 HD13 LEU 41 HD13 LEU 41 -1.700 -7.057 -3.758 244 HD21 LEU 41 HD21 LEU 41 -2.567 -6.230 -0.307 245 HD22 LEU 41 HD22 LEU 41 -3.489 -7.488 -1.157 246 HD23 LEU 41 HD23 LEU 41 -2.976 -6.020 -2.005 247 H GLY 42 H GLY 42 1.025 -10.028 1.360 248 HA2 GLY 42 HA2 GLY 42 -0.853 -11.938 2.499 249 HA3 GLY 42 HA3 GLY 42 0.870 -12.152 2.182 250 H ALA 43 H ALA 43 1.260 -9.487 3.806 251 HA ALA 43 HA ALA 43 1.522 -10.772 6.453 252 HB1 ALA 43 HB1 ALA 43 3.285 -9.266 5.858 253 HB2 ALA 43 HB2 ALA 43 2.163 -7.998 5.356 254 HB3 ALA 43 HB3 ALA 43 2.323 -8.423 7.071 255 H LEU 44 H LEU 44 -0.423 -8.207 4.885 256 HA LEU 44 HA LEU 44 -2.087 -8.043 7.355 257 HB3 LEU 44 HB3 LEU 44 -2.831 -5.863 6.525 258 HG LEU 44 HG LEU 44 -1.166 -4.532 7.183 259 HD11 LEU 44 HD11 LEU 44 0.304 -5.623 8.843 260 HD12 LEU 44 HD12 LEU 44 -0.058 -7.191 8.170 261 HD13 LEU 44 HD13 LEU 44 -1.354 -6.239 8.937 262 HD21 LEU 44 HD21 LEU 44 0.907 -6.305 5.875 263 HD22 LEU 44 HD22 LEU 44 1.230 -4.785 6.727 264 HD23 LEU 44 HD23 LEU 44 0.267 -4.782 5.241 265 H ALA 45 H ALA 45 -2.299 -10.093 5.086 266 HA ALA 45 HA ALA 45 -4.370 -9.474 3.374 267 HB1 ALA 45 HB1 ALA 45 -4.202 -11.577 2.630 268 HB2 ALA 45 HB2 ALA 45 -2.779 -11.656 3.674 269 HB3 ALA 45 HB3 ALA 45 -4.323 -12.328 4.216 270 HA PRO 46 HA PRO 46 -7.807 -10.730 6.315 271 HB3 PRO 46 HB3 PRO 46 -7.228 -12.771 7.369 272 HG3 PRO 46 HG3 PRO 46 -5.101 -13.016 8.454 273 HD3 PRO 46 HD3 PRO 46 -4.592 -12.492 6.257 274 H TYR 47 H TYR 47 -5.504 -8.443 6.916 275 HA TYR 47 HA TYR 47 -7.088 -7.138 9.084 276 HB3 TYR 47 HB3 TYR 47 -5.113 -6.197 9.973 277 HD1 TYR 47 HD1 TYR 47 -6.672 -8.465 10.796 278 HD2 TYR 47 HD2 TYR 47 -2.614 -8.412 9.352 279 HE1 TYR 47 HE1 TYR 47 -6.273 -10.644 11.871 280 HE2 TYR 47 HE2 TYR 47 -2.185 -10.571 10.423 281 HH TYR 47 HH TYR 47 -4.733 -12.264 12.349 282 H ALA 48 H ALA 48 -6.788 -7.072 5.902 283 HA ALA 48 HA ALA 48 -7.150 -4.169 5.675 284 HB1 ALA 48 HB1 ALA 48 -4.671 -4.522 5.593 285 HB2 ALA 48 HB2 ALA 48 -4.901 -5.555 4.158 286 HB3 ALA 48 HB3 ALA 48 -5.352 -3.831 4.126 287 H VAL 49 H VAL 49 -9.085 -4.283 4.767 288 HA VAL 49 HA VAL 49 -9.857 -6.381 2.863 289 HB VAL 49 HB VAL 49 -11.263 -4.134 4.330 290 HG11 VAL 49 HG11 VAL 49 -13.416 -5.236 3.402 291 HG12 VAL 49 HG12 VAL 49 -12.510 -4.265 2.252 292 HG13 VAL 49 HG13 VAL 49 -12.364 -6.024 2.204 293 HG21 VAL 49 HG21 VAL 49 -12.461 -6.017 5.396 294 HG22 VAL 49 HG22 VAL 49 -11.482 -7.167 4.455 295 HG23 VAL 49 HG23 VAL 49 -10.717 -6.116 5.664 296 H LEU 50 H LEU 50 -8.383 -5.881 1.260 297 HA LEU 50 HA LEU 50 -9.032 -3.777 -0.630 298 HB3 LEU 50 HB3 LEU 50 -7.764 -2.386 0.776 299 HG LEU 50 HG LEU 50 -6.506 -3.995 2.168 300 HD11 LEU 50 HD11 LEU 50 -4.668 -4.285 -0.250 301 HD12 LEU 50 HD12 LEU 50 -5.561 -5.577 0.580 302 HD13 LEU 50 HD13 LEU 50 -4.269 -4.782 1.422 303 HD21 LEU 50 HD21 LEU 50 -4.719 -1.950 0.819 304 HD22 LEU 50 HD22 LEU 50 -4.543 -2.594 2.459 305 HD23 LEU 50 HD23 LEU 50 -5.930 -1.589 2.059 306 H SER 51 H SER 51 -7.177 -3.745 -2.350 307 HA SER 51 HA SER 51 -6.157 -6.434 -2.930 308 HB3 SER 51 HB3 SER 51 -7.694 -4.868 -5.030 309 HG SER 51 HG SER 51 -7.588 -7.671 -4.508 310 H SER 52 H SER 52 -5.188 -5.888 -5.457 311 HA SER 52 HA SER 52 -2.859 -4.426 -4.802 312 HB3 SER 52 HB3 SER 52 -2.608 -6.363 -6.019 313 HG SER 52 HG SER 52 -3.575 -6.690 -8.048 314 H SER 53 H SER 53 -5.734 -2.958 -5.627 315 HA SER 53 HA SER 53 -4.671 -0.763 -7.237 316 HB3 SER 53 HB3 SER 53 -6.657 0.417 -6.368 317 HG SER 53 HG SER 53 -8.228 -1.014 -7.157 318 H ASN 54 H ASN 54 -5.104 -1.501 -3.816 319 HA ASN 54 HA ASN 54 -4.468 1.084 -2.780 320 HB3 ASN 54 HB3 ASN 54 -4.367 -0.263 -0.601 321 HD21 ASN 54 HD22 ASN 54 -6.029 0.841 0.308 322 HD22 ASN 54 HD21 ASN 54 -7.700 0.724 -0.240 323 H VAL 55 H VAL 55 -2.679 -2.036 -2.711 324 HA VAL 55 HA VAL 55 -0.325 -0.909 -1.425 325 HB VAL 55 HB VAL 55 -0.810 -3.228 -1.034 326 HG11 VAL 55 HG11 VAL 55 -0.747 -4.927 -2.912 327 HG12 VAL 55 HG12 VAL 55 -2.201 -3.931 -2.752 328 HG13 VAL 55 HG13 VAL 55 -1.006 -3.576 -4.015 329 HG21 VAL 55 HG21 VAL 55 1.233 -4.366 -1.758 330 HG22 VAL 55 HG22 VAL 55 1.542 -3.110 -2.963 331 HG23 VAL 55 HG23 VAL 55 1.586 -2.707 -1.229 332 H ARG 56 H ARG 56 1.457 0.023 -2.512 333 HA ARG 56 HA ARG 56 1.459 -0.279 -5.446 334 HB3 ARG 56 HB3 ARG 56 1.839 2.457 -4.199 335 HG3 ARG 56 HG3 ARG 56 2.377 2.105 -6.596 336 HD3 ARG 56 HD3 ARG 56 -0.304 2.085 -7.655 337 HE ARG 56 HE ARG 56 1.315 -0.342 -7.969 338 HH11 ARG 56 HH11 ARG 56 0.469 2.860 -9.310 339 HH12 ARG 56 HH12 ARG 56 0.995 2.466 -10.874 340 HH21 ARG 56 HH22 ARG 56 2.219 -0.744 -9.895 341 HH22 ARG 56 HH21 ARG 56 2.141 0.372 -11.235 342 H VAL 57 H VAL 57 3.398 -0.256 -6.396 343 HA VAL 57 HA VAL 57 5.787 -0.140 -4.627 344 HB VAL 57 HB VAL 57 5.238 -1.821 -7.099 345 HG11 VAL 57 HG11 VAL 57 7.392 -2.857 -6.634 346 HG12 VAL 57 HG12 VAL 57 7.631 -1.137 -6.839 347 HG13 VAL 57 HG13 VAL 57 7.628 -1.826 -5.202 348 HG21 VAL 57 HG21 VAL 57 3.970 -2.688 -5.174 349 HG22 VAL 57 HG22 VAL 57 5.345 -3.736 -5.508 350 HG23 VAL 57 HG23 VAL 57 5.422 -2.601 -4.150 351 H ILE 58 H ILE 58 6.733 1.768 -4.944 352 HA ILE 58 HA ILE 58 6.663 3.170 -7.525 353 HB ILE 58 HB ILE 58 8.441 3.779 -5.125 354 HG13 ILE 58 HG13 ILE 58 6.681 5.384 -4.327 355 HG21 ILE 58 HG21 ILE 58 7.297 5.604 -7.281 356 HG22 ILE 58 HG22 ILE 58 8.266 6.117 -5.893 357 HG23 ILE 58 HG23 ILE 58 8.985 5.079 -7.104 358 HD11 ILE 58 HD11 ILE 58 5.181 5.453 -6.307 359 HD12 ILE 58 HD12 ILE 58 4.781 3.743 -6.042 360 HD13 ILE 58 HD13 ILE 58 4.342 4.916 -4.815 361 H LYS 59 H LYS 59 8.726 3.580 -8.614 362 HA LYS 59 HA LYS 59 10.900 1.651 -8.062 363 HB3 LYS 59 HB3 LYS 59 11.087 1.021 -10.484 364 HG3 LYS 59 HG3 LYS 59 8.343 0.335 -9.303 365 HD3 LYS 59 HD3 LYS 59 8.570 -1.818 -10.463 366 HE3 LYS 59 HE3 LYS 59 8.738 0.502 -12.447 367 HZ1 LYS 59 HZ1 LYS 59 8.684 -1.618 -13.592 368 HZ2 LYS 59 HZ2 LYS 59 7.203 -0.931 -13.703 369 HZ3 LYS 59 HZ3 LYS 59 7.417 -2.155 -12.674 370 H ASP 60 H ASP 60 12.951 2.383 -9.205 371 HA ASP 60 HA ASP 60 13.153 5.239 -8.775 372 HB3 ASP 60 HB3 ASP 60 15.115 3.240 -9.900 373 H LYS 61 H LYS 61 14.376 6.609 -10.352 374 HA LYS 61 HA LYS 61 12.811 6.775 -12.802 375 HB3 LYS 61 HB3 LYS 61 14.860 8.508 -11.407 376 HG3 LYS 61 HG3 LYS 61 14.688 9.005 -13.872 377 HD3 LYS 61 HD3 LYS 61 11.776 9.502 -13.093 378 HE3 LYS 61 HE3 LYS 61 13.032 10.078 -15.795 379 HZ1 LYS 61 HZ1 LYS 61 10.625 9.549 -15.600 380 HZ2 LYS 61 HZ2 LYS 61 10.936 10.996 -16.267 381 HZ3 LYS 61 HZ3 LYS 61 10.414 10.895 -14.682 382 H GLN 62 H GLN 62 16.189 6.251 -11.652 383 HA GLN 62 HA GLN 62 17.443 6.426 -14.253 384 HB3 GLN 62 HB3 GLN 62 19.450 6.166 -13.056 385 HG3 GLN 62 HG3 GLN 62 17.571 7.493 -11.030 386 HE21 GLN 62 HE22 GLN 62 20.964 7.767 -12.371 387 HE22 GLN 62 HE21 GLN 62 21.633 8.078 -10.785 388 H THR 63 H THR 63 16.237 3.980 -12.063 389 HA THR 63 HA THR 63 16.933 1.815 -13.998 390 HB THR 63 HB THR 63 17.357 0.333 -12.235 391 HG1 THR 63 HG1 THR 63 16.977 1.106 -9.961 392 HG21 THR 63 HG21 THR 63 19.146 2.121 -12.456 393 HG22 THR 63 HG22 THR 63 19.122 1.278 -10.899 394 HG23 THR 63 HG23 THR 63 18.443 2.913 -11.027 395 H GLN 64 H GLN 64 15.328 -0.147 -13.171 396 HA GLN 64 HA GLN 64 12.593 1.007 -13.019 397 HB3 GLN 64 HB3 GLN 64 11.839 -0.858 -14.471 398 HG3 GLN 64 HG3 GLN 64 12.854 -0.069 -16.625 399 HE21 GLN 64 HE22 GLN 64 13.219 2.956 -15.086 400 HE22 GLN 64 HE21 GLN 64 11.605 3.577 -15.387 401 H LEU 65 H LEU 65 14.296 0.353 -10.819 402 HA LEU 65 HA LEU 65 13.050 -2.156 -9.767 403 HB3 LEU 65 HB3 LEU 65 15.118 -2.425 -8.498 404 HG LEU 65 HG LEU 65 15.545 -2.197 -11.496 405 HD11 LEU 65 HD11 LEU 65 17.577 -1.499 -10.415 406 HD12 LEU 65 HD12 LEU 65 17.790 -3.127 -11.096 407 HD13 LEU 65 HD13 LEU 65 17.557 -2.915 -9.341 408 HD21 LEU 65 HD21 LEU 65 15.754 -4.642 -11.335 409 HD22 LEU 65 HD22 LEU 65 14.203 -4.116 -10.668 410 HD23 LEU 65 HD23 LEU 65 15.515 -4.584 -9.577 411 H ASN 66 H ASN 66 13.163 -2.138 -7.293 412 HA ASN 66 HA ASN 66 11.666 0.167 -6.541 413 HB3 ASN 66 HB3 ASN 66 11.449 -0.901 -4.324 414 HD21 ASN 66 HD22 ASN 66 11.395 -3.911 -4.471 415 HD22 ASN 66 HD21 ASN 66 10.088 -4.204 -5.606 416 H ARG 67 H ARG 67 12.199 1.894 -5.310 417 HA ARG 67 HA ARG 67 14.926 2.667 -4.614 418 HB3 ARG 67 HB3 ARG 67 13.622 4.648 -3.592 419 HG3 ARG 67 HG3 ARG 67 13.179 4.110 -6.535 420 HD3 ARG 67 HD3 ARG 67 13.132 6.643 -4.854 421 HE ARG 67 HE ARG 67 14.385 6.448 -7.353 422 HH11 ARG 67 HH11 ARG 67 11.654 8.539 -6.164 423 HH12 ARG 67 HH12 ARG 67 12.334 9.887 -6.977 424 HH21 ARG 67 HH22 ARG 67 14.976 8.118 -8.497 425 HH22 ARG 67 HH21 ARG 67 14.179 9.695 -8.381 426 H GLY 68 H GLY 68 13.541 0.194 -3.267 427 HA2 GLY 68 HA2 GLY 68 13.949 -0.797 -1.249 428 HA3 GLY 68 HA3 GLY 68 14.868 0.638 -0.788 429 H PHE 69 H PHE 69 11.401 0.813 -1.670 430 HA PHE 69 HA PHE 69 10.520 0.597 1.075 431 HB3 PHE 69 HB3 PHE 69 11.233 2.995 0.913 432 HD1 PHE 69 HD2 PHE 69 7.774 3.391 -0.226 433 HD2 PHE 69 HD1 PHE 69 11.910 4.019 -1.259 434 HE1 PHE 69 HE2 PHE 69 7.087 5.005 -1.965 435 HE2 PHE 69 HE1 PHE 69 11.204 5.635 -3.010 436 HZ PHE 69 HZ PHE 69 8.816 6.117 -3.378 437 H ALA 70 H ALA 70 7.956 0.944 0.967 438 HA ALA 70 HA ALA 70 6.795 0.714 -1.703 439 HB1 ALA 70 HB1 ALA 70 5.291 -1.154 -1.104 440 HB2 ALA 70 HB2 ALA 70 6.978 -1.658 -1.208 441 HB3 ALA 70 HB3 ALA 70 6.225 -1.432 0.382 442 H PHE 71 H PHE 71 4.291 0.881 -1.405 443 HA PHE 71 HA PHE 71 3.761 3.230 0.394 444 HB3 PHE 71 HB3 PHE 71 3.172 2.903 -2.555 445 HD1 PHE 71 HD1 PHE 71 4.693 5.538 -0.396 446 HD2 PHE 71 HD2 PHE 71 1.139 4.315 -2.543 447 HE1 PHE 71 HE1 PHE 71 3.793 7.712 -0.111 448 HE2 PHE 71 HE2 PHE 71 0.190 6.576 -2.194 449 HZ PHE 71 HZ PHE 71 1.513 8.338 -1.033 450 H ILE 72 H ILE 72 1.475 3.295 0.966 451 HA ILE 72 HA ILE 72 -0.328 1.266 -0.232 452 HB ILE 72 HB ILE 72 -0.056 1.698 2.755 453 HG13 ILE 72 HG13 ILE 72 1.945 0.505 2.094 454 HG21 ILE 72 HG21 ILE 72 -1.577 -0.427 1.152 455 HG22 ILE 72 HG22 ILE 72 -1.639 -0.185 2.914 456 HG23 ILE 72 HG23 ILE 72 -2.317 1.024 1.853 457 HD11 ILE 72 HD11 ILE 72 1.765 -1.432 3.520 458 HD12 ILE 72 HD12 ILE 72 0.691 -0.208 4.189 459 HD13 ILE 72 HD13 ILE 72 0.044 -1.568 3.241 460 H GLN 73 H GLN 73 -2.122 2.310 -0.883 461 HA GLN 73 HA GLN 73 -3.030 4.791 0.475 462 HB3 GLN 73 HB3 GLN 73 -4.948 4.599 -1.144 463 HG3 GLN 73 HG3 GLN 73 -2.224 4.570 -2.511 464 HE21 GLN 73 HE22 GLN 73 -2.485 6.672 -4.190 465 HE22 GLN 73 HE21 GLN 73 -3.811 6.432 -5.306 466 H LEU 74 H LEU 74 -4.517 4.725 2.075 467 HA LEU 74 HA LEU 74 -6.251 2.480 2.496 468 HB3 LEU 74 HB3 LEU 74 -4.570 2.887 4.929 469 HG LEU 74 HG LEU 74 -6.071 0.672 3.616 470 HD11 LEU 74 HD11 LEU 74 -3.893 -0.166 3.243 471 HD12 LEU 74 HD12 LEU 74 -4.592 -1.080 4.585 472 HD13 LEU 74 HD13 LEU 74 -3.370 0.176 4.910 473 HD21 LEU 74 HD21 LEU 74 -6.274 -0.014 6.047 474 HD22 LEU 74 HD22 LEU 74 -6.863 1.608 5.691 475 HD23 LEU 74 HD23 LEU 74 -5.287 1.389 6.474 476 H SER 75 H SER 75 -7.792 3.000 4.170 477 HA SER 75 HA SER 75 -8.561 5.648 4.321 478 HB3 SER 75 HB3 SER 75 -10.248 4.833 5.867 479 HG SER 75 HG SER 75 -10.727 2.729 4.979 480 H THR 76 H THR 76 -8.835 7.089 6.162 481 HA THR 76 HA THR 76 -6.331 7.711 7.045 482 HB THR 76 HB THR 76 -8.939 8.837 8.138 483 HG1 THR 76 HG1 THR 76 -7.840 8.912 5.539 484 HG21 THR 76 HG21 THR 76 -6.208 10.054 7.575 485 HG22 THR 76 HG22 THR 76 -6.981 9.855 9.155 486 HG23 THR 76 HG23 THR 76 -7.656 10.996 7.977 487 H ILE 77 H ILE 77 -9.030 6.412 9.106 488 HA ILE 77 HA ILE 77 -7.422 6.653 11.540 489 HB ILE 77 HB ILE 77 -10.016 5.176 10.917 490 HG13 ILE 77 HG13 ILE 77 -9.904 7.776 10.827 491 HG21 ILE 77 HG21 ILE 77 -10.228 5.079 13.460 492 HG22 ILE 77 HG22 ILE 77 -8.992 4.042 12.778 493 HG23 ILE 77 HG23 ILE 77 -8.519 5.561 13.553 494 HD11 ILE 77 HD11 ILE 77 -11.822 6.473 12.759 495 HD12 ILE 77 HD12 ILE 77 -11.962 8.101 12.078 496 HD13 ILE 77 HD13 ILE 77 -12.034 6.685 11.012 497 H GLU 78 H GLU 78 -8.292 4.218 9.164 498 HA GLU 78 HA GLU 78 -7.306 1.974 10.550 499 HB3 GLU 78 HB3 GLU 78 -7.497 0.849 8.309 500 HG3 GLU 78 HG3 GLU 78 -9.614 2.525 9.651 501 H ALA 79 H ALA 79 -5.734 4.227 8.373 502 HA ALA 79 HA ALA 79 -3.142 2.923 8.163 503 HB1 ALA 79 HB1 ALA 79 -2.383 5.188 7.465 504 HB2 ALA 79 HB2 ALA 79 -3.894 4.772 6.636 505 HB3 ALA 79 HB3 ALA 79 -3.913 5.902 7.988 506 H ALA 80 H ALA 80 -4.601 5.455 10.231 507 HA ALA 80 HA ALA 80 -2.339 5.691 11.891 508 HB1 ALA 80 HB1 ALA 80 -5.173 6.658 12.347 509 HB2 ALA 80 HB2 ALA 80 -3.737 7.222 13.225 510 HB3 ALA 80 HB3 ALA 80 -3.894 7.540 11.487 511 H GLN 81 H GLN 81 -4.290 3.036 11.857 512 HA GLN 81 HA GLN 81 -3.649 2.460 14.727 513 HB3 GLN 81 HB3 GLN 81 -6.132 2.771 14.088 514 HG3 GLN 81 HG3 GLN 81 -5.837 -0.148 13.240 515 HE21 GLN 81 HE22 GLN 81 -7.886 -1.274 12.938 516 HE22 GLN 81 HE21 GLN 81 -9.381 -0.484 13.393 517 H LEU 82 H LEU 82 -3.749 1.235 11.357 518 HA LEU 82 HA LEU 82 -2.849 -1.388 11.914 519 HB3 LEU 82 HB3 LEU 82 -1.698 -0.961 9.516 520 HG LEU 82 HG LEU 82 -4.644 -1.264 10.140 521 HD11 LEU 82 HD11 LEU 82 -5.025 -1.804 7.772 522 HD12 LEU 82 HD12 LEU 82 -3.342 -1.366 7.386 523 HD13 LEU 82 HD13 LEU 82 -4.474 -0.132 7.972 524 HD21 LEU 82 HD21 LEU 82 -2.596 -3.191 8.938 525 HD22 LEU 82 HD22 LEU 82 -4.285 -3.561 9.348 526 HD23 LEU 82 HD23 LEU 82 -3.122 -3.207 10.628 527 H LEU 83 H LEU 83 -1.048 1.681 11.724 528 HA LEU 83 HA LEU 83 1.532 0.621 11.671 529 HB3 LEU 83 HB3 LEU 83 0.530 2.967 13.344 530 HG LEU 83 HG LEU 83 2.976 2.415 13.688 531 HD11 LEU 83 HD11 LEU 83 3.482 1.532 11.397 532 HD12 LEU 83 HD12 LEU 83 4.558 2.854 11.850 533 HD13 LEU 83 HD13 LEU 83 3.204 3.138 10.732 534 HD21 LEU 83 HD21 LEU 83 2.051 4.717 13.847 535 HD22 LEU 83 HD22 LEU 83 2.500 4.998 12.164 536 HD23 LEU 83 HD23 LEU 83 3.759 4.673 13.380 537 H GLN 84 H GLN 84 -0.706 0.667 14.453 538 HA GLN 84 HA GLN 84 1.345 -0.175 16.375 539 HB3 GLN 84 HB3 GLN 84 -0.876 -0.821 17.656 540 HG3 GLN 84 HG3 GLN 84 0.579 1.618 17.540 541 HE21 GLN 84 HE22 GLN 84 -0.071 3.533 16.537 542 HE22 GLN 84 HE21 GLN 84 -1.702 4.189 16.605 543 H ILE 85 H ILE 85 -1.292 -1.718 14.513 544 HA ILE 85 HA ILE 85 -1.035 -4.364 15.487 545 HB ILE 85 HB ILE 85 -1.897 -3.330 12.755 546 HG13 ILE 85 HG13 ILE 85 -3.170 -2.409 14.747 547 HG21 ILE 85 HG21 ILE 85 -1.386 -5.755 12.672 548 HG22 ILE 85 HG22 ILE 85 -2.463 -6.010 14.059 549 HG23 ILE 85 HG23 ILE 85 -3.112 -5.452 12.505 550 HD11 ILE 85 HD11 ILE 85 -4.901 -4.325 13.181 551 HD12 ILE 85 HD12 ILE 85 -5.374 -2.822 13.992 552 HD13 ILE 85 HD13 ILE 85 -4.341 -2.757 12.560 553 H LEU 86 H LEU 86 0.692 -2.671 12.877 554 HA LEU 86 HA LEU 86 2.090 -4.928 11.856 555 HB3 LEU 86 HB3 LEU 86 3.702 -2.905 11.164 556 HG LEU 86 HG LEU 86 2.322 -4.274 9.628 557 HD11 LEU 86 HD11 LEU 86 0.024 -3.745 10.483 558 HD12 LEU 86 HD12 LEU 86 0.198 -3.386 8.761 559 HD13 LEU 86 HD13 LEU 86 0.256 -2.070 9.927 560 HD21 LEU 86 HD21 LEU 86 2.406 -1.301 9.041 561 HD22 LEU 86 HD22 LEU 86 2.358 -2.607 7.831 562 HD23 LEU 86 HD23 LEU 86 3.777 -2.421 8.872 563 H GLN 87 H GLN 87 2.770 -3.056 14.771 564 HA GLN 87 HA GLN 87 5.612 -3.414 14.851 565 HB3 GLN 87 HB3 GLN 87 5.258 -2.928 17.323 566 HG3 GLN 87 HG3 GLN 87 4.116 -0.652 16.881 567 HE21 GLN 87 HE22 GLN 87 5.520 0.604 14.524 568 HE22 GLN 87 HE21 GLN 87 7.172 0.681 15.071 569 H ALA 88 H ALA 88 3.265 -5.783 14.964 570 HA ALA 88 HA ALA 88 4.783 -7.607 16.766 571 HB1 ALA 88 HB1 ALA 88 2.551 -8.584 17.260 572 HB2 ALA 88 HB2 ALA 88 2.676 -6.880 17.732 573 HB3 ALA 88 HB3 ALA 88 1.801 -7.318 16.258 574 H LEU 89 H LEU 89 4.521 -7.158 13.465 575 HA LEU 89 HA LEU 89 4.686 -10.037 12.961 576 HB3 LEU 89 HB3 LEU 89 2.262 -9.531 12.829 577 HG LEU 89 HG LEU 89 2.870 -7.138 11.579 578 HD11 LEU 89 HD11 LEU 89 3.581 -8.250 9.473 579 HD12 LEU 89 HD12 LEU 89 2.147 -7.256 9.254 580 HD13 LEU 89 HD13 LEU 89 1.987 -9.027 9.366 581 HD21 LEU 89 HD21 LEU 89 0.489 -6.967 11.047 582 HD22 LEU 89 HD22 LEU 89 0.728 -7.726 12.625 583 HD23 LEU 89 HD23 LEU 89 0.304 -8.728 11.220 584 H HIS 90 H HIS 90 5.302 -10.531 10.701 585 HA HIS 90 HA HIS 90 6.409 -8.381 9.072 586 HB3 HIS 90 HB3 HIS 90 8.567 -9.767 8.833 587 HD1 HIS 90 HD1 HIS 90 8.805 -6.873 9.363 588 HD2 HIS 90 HD2 HIS 90 8.841 -9.675 12.519 589 HE1 HIS 90 HE1 HIS 90 9.943 -5.747 11.287 590 HA PRO 91 HA PRO 91 4.618 -10.951 6.105 591 HB3 PRO 91 HB3 PRO 91 5.129 -9.156 4.649 592 HG3 PRO 91 HG3 PRO 91 7.357 -8.345 4.439 593 HD3 PRO 91 HD3 PRO 91 6.476 -8.046 6.648 594 HA PRO 92 HA PRO 92 6.671 -14.829 5.110 595 HB3 PRO 92 HB3 PRO 92 4.522 -15.584 4.656 596 HG3 PRO 92 HG3 PRO 92 2.987 -14.284 3.330 597 HD3 PRO 92 HD3 PRO 92 3.602 -13.009 5.219 598 H LEU 93 H LEU 93 7.274 -12.091 3.364 599 HA LEU 93 HA LEU 93 8.782 -13.446 1.170 600 HB3 LEU 93 HB3 LEU 93 7.885 -11.110 0.027 601 HG LEU 93 HG LEU 93 6.666 -13.869 0.082 602 HD11 LEU 93 HD11 LEU 93 5.674 -11.495 -1.464 603 HD12 LEU 93 HD12 LEU 93 4.821 -12.369 -0.154 604 HD13 LEU 93 HD13 LEU 93 5.150 -13.177 -1.703 605 HD21 LEU 93 HD21 LEU 93 7.504 -13.878 -2.267 606 HD22 LEU 93 HD22 LEU 93 8.820 -13.524 -1.132 607 HD23 LEU 93 HD23 LEU 93 8.084 -12.213 -2.065 608 H THR 94 H THR 94 10.825 -13.124 1.833 609 HA THR 94 HA THR 94 11.692 -10.385 2.558 610 HB THR 94 HB THR 94 12.471 -12.818 4.083 611 HG1 THR 94 HG1 THR 94 10.452 -12.820 4.660 612 HG21 THR 94 HG21 THR 94 13.855 -10.806 4.284 613 HG22 THR 94 HG22 THR 94 13.124 -11.271 5.835 614 HG23 THR 94 HG23 THR 94 12.446 -9.919 4.922 615 H ILE 95 H ILE 95 12.487 -10.545 0.464 616 HA ILE 95 HA ILE 95 14.413 -12.486 -0.451 617 HB ILE 95 HB ILE 95 13.037 -11.213 -2.011 618 HG13 ILE 95 HG13 ILE 95 14.448 -11.164 -3.752 619 HG21 ILE 95 HG21 ILE 95 13.561 -8.865 -2.582 620 HG22 ILE 95 HG22 ILE 95 12.910 -9.042 -0.943 621 HG23 ILE 95 HG23 ILE 95 14.651 -8.787 -1.185 622 HD11 ILE 95 HD11 ILE 95 15.840 -9.223 -3.351 623 HD12 ILE 95 HD12 ILE 95 16.716 -10.059 -2.048 624 HD13 ILE 95 HD13 ILE 95 16.863 -10.612 -3.730 625 H ASP 96 H ASP 96 16.561 -12.471 -0.291 626 HA ASP 96 HA ASP 96 18.497 -12.282 0.947 627 HB3 ASP 96 HB3 ASP 96 19.670 -10.051 0.548 628 H GLY 97 H GLY 97 16.236 -12.056 2.659 629 HA2 GLY 97 HA2 GLY 97 15.908 -11.647 4.913 630 HA3 GLY 97 HA3 GLY 97 17.595 -11.112 4.989 631 H LYS 98 H LYS 98 15.363 -9.415 2.761 632 HA LYS 98 HA LYS 98 15.843 -7.003 4.319 633 HB3 LYS 98 HB3 LYS 98 14.219 -6.067 2.450 634 HG3 LYS 98 HG3 LYS 98 16.112 -5.898 0.929 635 HD3 LYS 98 HD3 LYS 98 17.282 -5.628 3.708 636 HE3 LYS 98 HE3 LYS 98 17.649 -3.341 2.665 637 HZ1 LYS 98 HZ1 LYS 98 19.493 -4.655 2.881 638 HZ2 LYS 98 HZ2 LYS 98 19.542 -4.264 1.274 639 HZ3 LYS 98 HZ3 LYS 98 19.062 -5.775 1.797 640 H THR 99 H THR 99 15.010 -7.160 6.163 641 HA THR 99 HA THR 99 12.277 -8.098 6.624 642 HB THR 99 HB THR 99 12.949 -7.602 9.047 643 HG1 THR 99 HG1 THR 99 15.109 -7.487 9.440 644 HG21 THR 99 HG21 THR 99 14.236 -9.702 9.168 645 HG22 THR 99 HG22 THR 99 14.565 -9.616 7.425 646 HG23 THR 99 HG23 THR 99 12.900 -9.834 8.014 647 H ILE 100 H ILE 100 10.580 -6.885 6.756 648 HA ILE 100 HA ILE 100 10.829 -4.175 5.901 649 HB ILE 100 HB ILE 100 8.265 -5.472 6.885 650 HG13 ILE 100 HG13 ILE 100 7.906 -6.253 4.570 651 HG21 ILE 100 HG21 ILE 100 8.915 -3.333 4.820 652 HG22 ILE 100 HG22 ILE 100 7.296 -4.059 5.050 653 HG23 ILE 100 HG23 ILE 100 8.038 -3.128 6.350 654 HD11 ILE 100 HD11 ILE 100 9.497 -4.997 3.244 655 HD12 ILE 100 HD12 ILE 100 10.871 -5.659 4.149 656 HD13 ILE 100 HD13 ILE 100 9.884 -6.737 3.163 657 H ASN 101 H ASN 101 10.920 -2.355 7.033 658 HA ASN 101 HA ASN 101 10.628 -2.343 9.959 659 HB3 ASN 101 HB3 ASN 101 10.745 0.193 8.358 660 HD21 ASN 101 HD22 ASN 101 12.931 1.448 9.581 661 HD22 ASN 101 HD21 ASN 101 12.670 1.339 11.313 662 H VAL 102 H VAL 102 9.136 -0.952 10.996 663 HA VAL 102 HA VAL 102 6.525 -0.618 9.610 664 HB VAL 102 HB VAL 102 7.263 -0.893 12.562 665 HG11 VAL 102 HG11 VAL 102 5.283 0.479 12.380 666 HG12 VAL 102 HG12 VAL 102 4.557 -0.625 11.192 667 HG13 VAL 102 HG13 VAL 102 4.778 -1.141 12.878 668 HG21 VAL 102 HG21 VAL 102 6.109 -3.076 12.391 669 HG22 VAL 102 HG22 VAL 102 5.897 -2.830 10.637 670 HG23 VAL 102 HG23 VAL 102 7.509 -3.025 11.333 671 H GLU 103 H GLU 103 6.036 1.426 9.044 672 HA GLU 103 HA GLU 103 6.594 3.696 10.739 673 HB3 GLU 103 HB3 GLU 103 7.789 3.723 7.932 674 HG3 GLU 103 HG3 GLU 103 7.481 5.944 9.130 675 H PHE 104 H PHE 104 5.686 5.826 9.261 676 HA PHE 104 HA PHE 104 3.722 5.013 7.307 677 HB3 PHE 104 HB3 PHE 104 2.468 4.934 9.396 678 HD1 PHE 104 HD2 PHE 104 4.804 7.114 10.367 679 HD2 PHE 104 HD1 PHE 104 0.492 7.123 9.926 680 HE1 PHE 104 HE2 PHE 104 4.618 8.796 12.125 681 HE2 PHE 104 HE1 PHE 104 0.324 8.646 11.847 682 HZ PHE 104 HZ PHE 104 2.392 9.582 12.900 683 H ALA 105 H ALA 105 2.656 7.116 6.390 684 HA ALA 105 HA ALA 105 4.556 9.366 6.222 685 HB1 ALA 105 HB1 ALA 105 3.732 7.645 3.853 686 HB2 ALA 105 HB2 ALA 105 4.619 9.180 3.748 687 HB3 ALA 105 HB3 ALA 105 5.365 7.798 4.540 688 H LYS 106 H LYS 106 1.840 9.150 7.385 689 HA LYS 106 HA LYS 106 0.030 10.204 5.348 690 HB3 LYS 106 HB3 LYS 106 -0.684 8.511 7.009 691 HG3 LYS 106 HG3 LYS 106 0.451 9.809 9.085 692 HD3 LYS 106 HD3 LYS 106 -2.395 10.824 8.883 693 HE3 LYS 106 HE3 LYS 106 -1.964 9.884 11.158 694 HZ1 LYS 106 HZ1 LYS 106 -0.643 11.352 12.585 695 HZ2 LYS 106 HZ2 LYS 106 -0.044 12.148 11.292 696 HZ3 LYS 106 HZ3 LYS 106 0.336 10.575 11.504 697 H GLY 107 H GLY 107 -1.107 12.213 5.770 698 HA2 GLY 107 HA2 GLY 107 0.139 14.151 7.645 699 HA3 GLY 107 HA3 GLY 107 -0.071 14.598 5.952 700 H SER 108 H SER 108 -2.589 12.460 7.057 701 HA SER 108 HA SER 108 -4.473 14.693 6.934 702 HB3 SER 108 HB3 SER 108 -4.823 13.059 5.325 703 HG SER 108 HG SER 108 -4.785 10.893 5.692 704 H LYS 109 H LYS 109 -6.333 14.714 8.304 705 HA LYS 109 HA LYS 109 -6.917 12.665 10.215 706 HB3 LYS 109 HB3 LYS 109 -6.250 15.458 11.187 707 HG3 LYS 109 HG3 LYS 109 -7.044 13.045 12.885 708 HD3 LYS 109 HD3 LYS 109 -7.347 14.951 14.590 709 HE3 LYS 109 HE3 LYS 109 -4.753 13.947 13.482 710 HZ1 LYS 109 HZ1 LYS 109 -4.826 16.131 15.463 711 HZ2 LYS 109 HZ2 LYS 109 -4.214 16.214 13.928 712 HZ3 LYS 109 HZ3 LYS 109 -3.498 15.247 15.024 713 H ARG 110 H ARG 110 -8.608 12.704 8.487 714 HA ARG 110 HA ARG 110 -10.809 14.329 9.416 715 HB3 ARG 110 HB3 ARG 110 -11.688 14.636 7.061 716 HG3 ARG 110 HG3 ARG 110 -9.083 16.082 7.634 717 HD3 ARG 110 HD3 ARG 110 -9.902 16.507 5.337 718 HE ARG 110 HE ARG 110 -12.105 16.874 4.989 719 HH11 ARG 110 HH11 ARG 110 -11.329 18.490 8.078 720 HH12 ARG 110 HH12 ARG 110 -12.986 18.925 8.380 721 HH21 ARG 110 HH22 ARG 110 -14.143 18.042 5.199 722 HH22 ARG 110 HH21 ARG 110 -14.525 18.735 6.726 723 H ASP 111 H ASP 111 -12.796 13.151 9.083 724 HA ASP 111 HA ASP 111 -12.880 10.564 7.779 725 HB3 ASP 111 HB3 ASP 111 -12.856 10.759 10.814 726 H MET 112 H MET 112 -14.594 11.450 6.678 727 HA MET 112 HA MET 112 -17.150 11.483 7.894 728 HB3 MET 112 HB3 MET 112 -16.554 13.662 8.862 729 HG3 MET 112 HG3 MET 112 -15.907 14.402 5.993 730 HE1 MET 112 HE1 MET 112 -18.029 15.605 5.625 731 HE2 MET 112 HE2 MET 112 -18.765 15.691 7.242 732 HE3 MET 112 HE3 MET 112 -18.480 17.178 6.332 733 H ALA 113 H ALA 113 -15.562 10.684 5.404 734 HA ALA 113 HA ALA 113 -17.692 11.139 3.442 735 HB1 ALA 113 HB1 ALA 113 -15.995 11.608 1.680 736 HB2 ALA 113 HB2 ALA 113 -15.925 12.851 2.945 737 HB3 ALA 113 HB3 ALA 113 -14.712 11.542 2.896 738 H SER 114 H SER 114 -17.290 9.509 1.529 739 HA SER 114 HA SER 114 -15.955 7.056 2.422 740 HB3 SER 114 HB3 SER 114 -18.747 6.612 1.526 741 HG SER 114 HG SER 114 -18.430 5.588 3.822 742 H ASN 115 H ASN 115 -16.240 5.330 0.728 743 HA ASN 115 HA ASN 115 -14.930 6.350 -1.579 744 HB3 ASN 115 HB3 ASN 115 -15.945 3.511 -1.105 745 HD21 ASN 115 HD22 ASN 115 -12.838 5.028 -2.052 746 HD22 ASN 115 HD21 ASN 115 -12.664 4.235 -3.581 747 H GLU 116 H GLU 116 -18.031 4.710 -1.193 748 HA GLU 116 HA GLU 116 -19.725 4.170 -2.564 749 HB3 GLU 116 HB3 GLU 116 -19.558 7.129 -3.233 750 HG3 GLU 116 HG3 GLU 116 -21.749 5.091 -2.858 751 H GLY 117 H GLY 117 -18.746 2.712 -3.983 752 HA2 GLY 117 HA2 GLY 117 -17.350 3.652 -6.394 753 HA3 GLY 117 HA3 GLY 117 -17.331 2.036 -5.675 754 H SER 118 H SER 118 -18.575 0.459 -6.630 755 HA SER 118 HA SER 118 -19.580 -0.503 -8.433 756 HB3 SER 118 HB3 SER 118 -22.032 -0.195 -8.244 757 HG SER 118 HG SER 118 -21.963 -0.506 -5.853 758 H ARG 119 H ARG 119 -18.289 0.605 -10.236 759 HA ARG 119 HA ARG 119 -19.982 2.053 -11.962 760 HB3 ARG 119 HB3 ARG 119 -19.158 3.912 -10.488 761 HG3 ARG 119 HG3 ARG 119 -17.025 4.922 -11.116 762 HD3 ARG 119 HD3 ARG 119 -16.368 2.125 -10.128 763 HE ARG 119 HE ARG 119 -15.381 4.818 -9.314 764 HH11 ARG 119 HH11 ARG 119 -14.525 1.409 -10.024 765 HH12 ARG 119 HH12 ARG 119 -12.844 1.650 -9.707 766 HH21 ARG 119 HH22 ARG 119 -13.127 5.126 -9.100 767 HH22 ARG 119 HH21 ARG 119 -12.009 3.831 -9.417 768 H ILE 120 H ILE 120 -19.732 0.973 -13.462 769 HA ILE 120 HA ILE 120 -17.265 0.485 -14.969 770 HB ILE 120 HB ILE 120 -18.306 -1.926 -15.456 771 HG13 ILE 120 HG13 ILE 120 -19.218 -1.547 -12.563 772 HG21 ILE 120 HG21 ILE 120 -16.064 -1.446 -14.617 773 HG22 ILE 120 HG22 ILE 120 -16.684 -1.369 -12.954 774 HG23 ILE 120 HG23 ILE 120 -16.751 -2.879 -13.876 775 HD11 ILE 120 HD11 ILE 120 -20.797 -2.133 -15.103 776 HD12 ILE 120 HD12 ILE 120 -21.420 -2.398 -13.465 777 HD13 ILE 120 HD13 ILE 120 -21.034 -0.755 -13.997 778 H SER 121 H SER 121 -17.960 -0.452 -17.233 779 HA SER 121 HA SER 121 -20.682 0.285 -18.018 780 HB3 SER 121 HB3 SER 121 -18.200 1.094 -19.591 781 HG SER 121 HG SER 121 -19.669 2.116 -20.884 782 H ALA 122 H ALA 122 -21.438 -1.444 -19.228 783 HA ALA 122 HA ALA 122 -19.613 -3.118 -20.777 784 HB1 ALA 122 HB1 ALA 122 -21.280 -4.425 -18.609 785 HB2 ALA 122 HB2 ALA 122 -20.013 -5.148 -19.624 786 HB3 ALA 122 HB3 ALA 122 -19.566 -4.005 -18.356 787 H ALA 123 H ALA 123 -21.999 -1.298 -21.169 788 HA ALA 123 HA ALA 123 -24.205 -3.114 -21.929 789 HB1 ALA 123 HB1 ALA 123 -24.751 -0.926 -20.934 790 HB2 ALA 123 HB2 ALA 123 -23.877 -0.095 -22.248 791 HB3 ALA 123 HB3 ALA 123 -25.335 -1.039 -22.607 792 H SER 124 H SER 124 -21.795 -0.951 -23.496 793 HA SER 124 HA SER 124 -22.465 -2.187 -26.115 794 HB3 SER 124 HB3 SER 124 -22.247 -0.023 -27.096 795 HG SER 124 HG SER 124 -23.832 1.135 -25.989 796 H VAL 125 H VAL 125 -20.742 -2.237 -27.670 797 HA VAL 125 HA VAL 125 -17.978 -1.957 -26.764 798 HB VAL 125 HB VAL 125 -19.118 -4.486 -28.057 799 HG11 VAL 125 HG11 VAL 125 -16.880 -5.445 -27.477 800 HG12 VAL 125 HG12 VAL 125 -16.773 -4.103 -28.612 801 HG13 VAL 125 HG13 VAL 125 -16.375 -3.849 -26.886 802 HG21 VAL 125 HG21 VAL 125 -19.920 -4.506 -25.735 803 HG22 VAL 125 HG22 VAL 125 -18.655 -5.701 -25.981 804 HG23 VAL 125 HG23 VAL 125 -18.269 -4.174 -25.147 805 H ALA 126 H ALA 126 -16.696 -1.464 -28.656 806 HA ALA 126 HA ALA 126 -17.958 -1.779 -31.314 807 HB1 ALA 126 HB1 ALA 126 -16.714 0.834 -30.345 808 HB2 ALA 126 HB2 ALA 126 -17.207 0.464 -32.015 809 HB3 ALA 126 HB3 ALA 126 -18.428 0.565 -30.747 810 H SER 127 H SER 127 -16.524 -2.643 -32.708 811 HA SER 127 HA SER 127 -13.634 -2.501 -32.195 812 HB3 SER 127 HB3 SER 127 -14.282 -5.242 -32.862 813 HG SER 127 HG SER 127 -12.505 -4.347 -31.632 814 H THR 128 H THR 128 -14.991 -1.058 -34.064 815 HA THR 128 HA THR 128 -15.001 -2.472 -36.634 816 HB THR 128 HB THR 128 -15.523 -0.250 -37.571 817 HG1 THR 128 HG1 THR 128 -15.139 0.624 -34.891 818 HG21 THR 128 HG21 THR 128 -17.334 -1.731 -36.746 819 HG22 THR 128 HG22 THR 128 -17.742 -0.012 -36.621 820 HG23 THR 128 HG23 THR 128 -17.275 -0.915 -35.166 821 H ALA 129 H ALA 129 -13.757 -1.178 -38.462 822 HA ALA 129 HA ALA 129 -11.097 -0.323 -37.708 823 HB1 ALA 129 HB1 ALA 129 -10.819 -2.769 -38.150 824 HB2 ALA 129 HB2 ALA 129 -11.590 -2.557 -39.741 825 HB3 ALA 129 HB3 ALA 129 -10.030 -1.784 -39.393 826 H ILE 130 H ILE 130 -10.172 0.143 -40.265 827 HA ILE 130 HA ILE 130 -12.256 1.630 -41.698 828 HB ILE 130 HB ILE 130 -9.460 2.726 -41.128 829 HG13 ILE 130 HG13 ILE 130 -12.038 3.186 -39.613 830 HG21 ILE 130 HG21 ILE 130 -10.435 3.516 -43.242 831 HG22 ILE 130 HG22 ILE 130 -11.921 3.999 -42.404 832 HG23 ILE 130 HG23 ILE 130 -10.382 4.826 -42.073 833 HD11 ILE 130 HD11 ILE 130 -10.512 3.617 -37.730 834 HD12 ILE 130 HD12 ILE 130 -10.077 2.066 -38.454 835 HD13 ILE 130 HD13 ILE 130 -9.102 3.508 -38.803 836 H ALA 131 H ALA 131 -11.646 1.761 -44.026 837 HA ALA 131 HA ALA 131 -9.360 0.433 -45.029 838 HB1 ALA 131 HB1 ALA 131 -10.930 -1.511 -44.905 839 HB2 ALA 131 HB2 ALA 131 -12.182 -0.529 -45.725 840 HB3 ALA 131 HB3 ALA 131 -10.694 -0.966 -46.584 Start of MODEL 13 1 H1 GLN 1 H1 GLN 1 17.886 28.087 45.268 2 HA GLN 1 HA GLN 1 18.432 30.604 43.818 3 HB3 GLN 1 HB3 GLN 1 16.646 29.672 42.203 4 HG3 GLN 1 HG3 GLN 1 18.253 28.009 41.056 5 HE21 GLN 1 HE22 GLN 1 18.829 29.114 39.098 6 HE22 GLN 1 HE21 GLN 1 19.156 30.835 39.106 7 H ALA 2 H ALA 2 15.226 28.896 44.146 8 HA ALA 2 HA ALA 2 14.115 31.330 45.096 9 HB1 ALA 2 HB1 ALA 2 12.875 28.547 44.989 10 HB2 ALA 2 HB2 ALA 2 12.006 30.080 45.196 11 HB3 ALA 2 HB3 ALA 2 12.854 29.764 43.682 12 H GLN 3 H GLN 3 14.550 28.213 46.837 13 HA GLN 3 HA GLN 3 14.707 27.663 49.000 14 HB3 GLN 3 HB3 GLN 3 15.784 29.441 50.547 15 HG3 GLN 3 HG3 GLN 3 16.827 28.101 48.098 16 HE21 GLN 3 HE22 GLN 3 18.158 30.746 50.362 17 HE22 GLN 3 HE21 GLN 3 19.413 31.086 49.259 18 H GLY 4 H GLY 4 12.258 29.727 48.145 19 HA2 GLY 4 HA2 GLY 4 10.826 29.290 50.700 20 HA3 GLY 4 HA3 GLY 4 10.218 30.124 49.254 21 H VAL 5 H VAL 5 8.320 28.586 49.486 22 HA VAL 5 HA VAL 5 8.610 25.813 48.852 23 HB VAL 5 HB VAL 5 6.133 26.033 48.547 24 HG11 VAL 5 HG11 VAL 5 7.086 25.453 50.752 25 HG12 VAL 5 HG12 VAL 5 7.124 27.172 51.197 26 HG13 VAL 5 HG13 VAL 5 5.574 26.361 50.898 27 HG21 VAL 5 HG21 VAL 5 4.926 28.044 49.161 28 HG22 VAL 5 HG22 VAL 5 6.423 28.925 49.500 29 HG23 VAL 5 HG23 VAL 5 6.027 28.438 47.839 30 H LEU 6 H LEU 6 7.702 25.048 46.958 31 HA LEU 6 HA LEU 6 7.473 26.683 44.525 32 HB3 LEU 6 HB3 LEU 6 8.815 25.113 43.187 33 HG LEU 6 HG LEU 6 9.943 27.226 44.459 34 HD11 LEU 6 HD11 LEU 6 11.632 24.818 45.325 35 HD12 LEU 6 HD12 LEU 6 10.669 25.813 46.421 36 HD13 LEU 6 HD13 LEU 6 12.029 26.533 45.574 37 HD21 LEU 6 HD21 LEU 6 10.478 26.466 42.192 38 HD22 LEU 6 HD22 LEU 6 11.455 25.133 42.846 39 HD23 LEU 6 HD23 LEU 6 11.955 26.824 43.097 40 H ALA 7 H ALA 7 5.502 25.947 43.636 41 HA ALA 7 HA ALA 7 5.229 23.188 43.043 42 HB1 ALA 7 HB1 ALA 7 2.975 22.871 44.078 43 HB2 ALA 7 HB2 ALA 7 4.208 23.092 45.330 44 HB3 ALA 7 HB3 ALA 7 3.130 24.441 44.897 45 H SER 8 H SER 8 3.570 22.874 41.377 46 HA SER 8 HA SER 8 1.932 25.033 40.489 47 HB3 SER 8 HB3 SER 8 4.134 25.859 39.780 48 HG SER 8 HG SER 8 5.407 24.708 38.378 49 H GLN 9 H GLN 9 0.823 24.317 38.393 50 HA GLN 9 HA GLN 9 1.366 21.767 37.226 51 HB3 GLN 9 HB3 GLN 9 -1.337 21.360 37.485 52 HG3 GLN 9 HG3 GLN 9 -0.379 19.963 39.717 53 HE21 GLN 9 HE22 GLN 9 -2.033 18.450 39.176 54 HE22 GLN 9 HE21 GLN 9 -2.059 17.562 37.663 55 H ALA 10 H ALA 10 1.761 23.122 35.413 56 HA ALA 10 HA ALA 10 -0.618 23.929 33.966 57 HB1 ALA 10 HB1 ALA 10 -0.239 26.018 35.202 58 HB2 ALA 10 HB2 ALA 10 1.476 26.024 34.721 59 HB3 ALA 10 HB3 ALA 10 0.207 26.230 33.498 60 H LEU 11 H LEU 11 0.274 22.045 32.815 61 HA LEU 11 HA LEU 11 2.508 22.749 31.020 62 HB3 LEU 11 HB3 LEU 11 3.576 21.683 32.813 63 HG LEU 11 HG LEU 11 3.325 19.260 33.310 64 HD11 LEU 11 HD11 LEU 11 2.658 21.052 34.932 65 HD12 LEU 11 HD12 LEU 11 1.877 19.487 35.156 66 HD13 LEU 11 HD13 LEU 11 0.963 20.801 34.420 67 HD21 LEU 11 HD21 LEU 11 1.212 18.150 33.105 68 HD22 LEU 11 HD22 LEU 11 1.761 18.642 31.494 69 HD23 LEU 11 HD23 LEU 11 0.460 19.532 32.332 70 H SER 12 H SER 12 -0.623 21.798 30.985 71 HA SER 12 HA SER 12 -0.423 19.793 28.839 72 HB3 SER 12 HB3 SER 12 -2.211 19.473 30.381 73 HG SER 12 HG SER 12 -2.776 22.215 29.923 74 H GLN 13 H GLN 13 0.114 20.578 26.798 75 HA GLN 13 HA GLN 13 -0.816 23.300 26.016 76 HB3 GLN 13 HB3 GLN 13 2.113 22.507 25.897 77 HG3 GLN 13 HG3 GLN 13 0.636 25.160 25.654 78 HE21 GLN 13 HE22 GLN 13 3.391 25.599 23.979 79 HE22 GLN 13 HE21 GLN 13 4.386 26.305 25.269 80 H GLY 14 H GLY 14 -1.740 23.108 24.126 81 HA2 GLY 14 HA2 GLY 14 -0.700 22.232 21.727 82 HA3 GLY 14 HA3 GLY 14 -1.408 20.786 22.442 83 H SER 15 H SER 15 -2.092 23.440 20.496 84 HA SER 15 HA SER 15 -4.974 22.876 20.604 85 HB3 SER 15 HB3 SER 15 -4.831 25.157 21.347 86 HG SER 15 HG SER 15 -3.060 25.526 19.129 87 H GLU 16 H GLU 16 -5.595 22.143 18.711 88 HA GLU 16 HA GLU 16 -4.266 22.907 16.171 89 HB3 GLU 16 HB3 GLU 16 -4.528 19.981 16.893 90 HG3 GLU 16 HG3 GLU 16 -3.221 21.391 14.518 91 HA PRO 17 HA PRO 17 -8.934 22.679 15.918 92 HB3 PRO 17 HB3 PRO 17 -9.173 24.825 16.729 93 HG3 PRO 17 HG3 PRO 17 -7.436 26.481 16.447 94 HD3 PRO 17 HD3 PRO 17 -6.529 24.597 17.573 95 H SER 18 H SER 18 -10.278 23.220 13.974 96 HA SER 18 HA SER 18 -10.861 22.557 11.963 97 HB3 SER 18 HB3 SER 18 -9.672 23.841 10.082 98 HG SER 18 HG SER 18 -11.673 24.379 11.111 99 H SER 19 H SER 19 -10.707 20.510 11.694 100 HA SER 19 HA SER 19 -8.429 19.302 10.293 101 HB3 SER 19 HB3 SER 19 -9.161 18.719 13.193 102 HG SER 19 HG SER 19 -7.275 17.579 11.435 103 H GLU 20 H GLU 20 -11.485 19.680 9.960 104 HA GLU 20 HA GLU 20 -12.816 17.303 10.758 105 HB3 GLU 20 HB3 GLU 20 -13.784 19.594 10.182 106 HG3 GLU 20 HG3 GLU 20 -14.127 18.352 7.420 107 H ASN 21 H ASN 21 -10.814 17.902 7.932 108 HA ASN 21 HA ASN 21 -11.305 15.080 7.093 109 HB3 ASN 21 HB3 ASN 21 -10.493 16.018 4.771 110 HD21 ASN 21 HD22 ASN 21 -12.056 14.270 4.480 111 HD22 ASN 21 HD21 ASN 21 -13.751 14.706 4.212 112 H ALA 22 H ALA 22 -9.356 14.091 6.203 113 HA ALA 22 HA ALA 22 -6.789 15.455 6.408 114 HB1 ALA 22 HB1 ALA 22 -5.821 13.916 8.028 115 HB2 ALA 22 HB2 ALA 22 -7.253 14.644 8.779 116 HB3 ALA 22 HB3 ALA 22 -7.336 12.997 8.145 117 H ASN 23 H ASN 23 -5.103 13.282 6.138 118 HA ASN 23 HA ASN 23 -6.294 11.214 4.577 119 HB3 ASN 23 HB3 ASN 23 -4.219 13.049 3.325 120 HD21 ASN 23 HD22 ASN 23 -6.177 9.982 2.799 121 HD22 ASN 23 HD21 ASN 23 -4.976 9.268 1.773 122 H ASP 24 H ASP 24 -4.867 9.389 4.566 123 HA ASP 24 HA ASP 24 -2.431 9.522 6.225 124 HB3 ASP 24 HB3 ASP 24 -3.139 7.681 7.533 125 H THR 25 H THR 25 -1.033 7.807 5.815 126 HA THR 25 HA THR 25 -1.438 6.202 3.404 127 HB THR 25 HB THR 25 0.576 8.516 3.517 128 HG1 THR 25 HG1 THR 25 -1.122 9.540 2.872 129 HG21 THR 25 HG21 THR 25 -0.041 6.446 1.362 130 HG22 THR 25 HG22 THR 25 1.421 6.532 2.355 131 HG23 THR 25 HG23 THR 25 1.076 7.824 1.187 132 H ILE 26 H ILE 26 -0.337 4.352 3.925 133 HA ILE 26 HA ILE 26 1.815 4.471 5.993 134 HB ILE 26 HB ILE 26 0.280 2.148 4.804 135 HG13 ILE 26 HG13 ILE 26 -0.733 1.856 6.947 136 HG21 ILE 26 HG21 ILE 26 2.493 2.052 6.869 137 HG22 ILE 26 HG22 ILE 26 1.441 0.703 6.417 138 HG23 ILE 26 HG23 ILE 26 2.558 1.390 5.231 139 HD11 ILE 26 HD11 ILE 26 0.663 4.374 7.845 140 HD12 ILE 26 HD12 ILE 26 -0.523 3.440 8.772 141 HD13 ILE 26 HD13 ILE 26 1.065 2.740 8.461 142 H ILE 27 H ILE 27 3.938 4.071 5.426 143 HA ILE 27 HA ILE 27 4.568 3.743 2.534 144 HB ILE 27 HB ILE 27 5.051 6.008 3.360 145 HG13 ILE 27 HG13 ILE 27 6.898 4.368 1.949 146 HG21 ILE 27 HG21 ILE 27 7.068 4.748 5.257 147 HG22 ILE 27 HG22 ILE 27 6.806 6.473 4.997 148 HG23 ILE 27 HG23 ILE 27 5.530 5.498 5.747 149 HD11 ILE 27 HD11 ILE 27 6.434 7.317 2.250 150 HD12 ILE 27 HD12 ILE 27 7.970 6.803 1.561 151 HD13 ILE 27 HD13 ILE 27 6.454 6.278 0.798 152 H LEU 28 H LEU 28 6.138 2.139 2.136 153 HA LEU 28 HA LEU 28 6.709 0.409 4.470 154 HB3 LEU 28 HB3 LEU 28 7.586 -1.216 2.801 155 HG LEU 28 HG LEU 28 5.584 -2.031 1.823 156 HD11 LEU 28 HD11 LEU 28 4.193 -2.396 3.764 157 HD12 LEU 28 HD12 LEU 28 4.839 -0.954 4.569 158 HD13 LEU 28 HD13 LEU 28 5.885 -2.351 4.278 159 HD21 LEU 28 HD21 LEU 28 3.484 -0.996 1.721 160 HD22 LEU 28 HD22 LEU 28 4.613 0.192 1.084 161 HD23 LEU 28 HD23 LEU 28 3.981 0.379 2.729 162 H ARG 29 H ARG 29 9.005 -0.347 4.781 163 HA ARG 29 HA ARG 29 11.042 1.200 3.299 164 HB3 ARG 29 HB3 ARG 29 12.337 1.730 5.327 165 HG3 ARG 29 HG3 ARG 29 9.491 2.710 5.728 166 HD3 ARG 29 HD3 ARG 29 11.133 3.123 7.607 167 HE ARG 29 HE ARG 29 13.198 3.776 6.762 168 HH11 ARG 29 HH11 ARG 29 10.742 6.290 6.040 169 HH12 ARG 29 HH12 ARG 29 11.911 7.427 5.575 170 HH21 ARG 29 HH22 ARG 29 14.678 5.294 6.157 171 HH22 ARG 29 HH21 ARG 29 14.216 6.861 5.553 172 H ASN 30 H ASN 30 13.270 0.228 3.751 173 HA ASN 30 HA ASN 30 14.760 -1.380 3.661 174 HB3 ASN 30 HB3 ASN 30 13.211 -2.878 5.758 175 HD21 ASN 30 HD22 ASN 30 14.257 -4.805 6.224 176 HD22 ASN 30 HD21 ASN 30 15.950 -5.161 5.880 177 H LEU 31 H LEU 31 13.598 -1.520 1.500 178 HA LEU 31 HA LEU 31 12.596 -4.305 1.016 179 HB3 LEU 31 HB3 LEU 31 11.488 -3.278 -0.969 180 HG LEU 31 HG LEU 31 10.806 -1.432 1.344 181 HD11 LEU 31 HD11 LEU 31 8.987 -2.831 -0.630 182 HD12 LEU 31 HD12 LEU 31 9.724 -1.266 -0.966 183 HD13 LEU 31 HD13 LEU 31 8.618 -1.460 0.421 184 HD21 LEU 31 HD21 LEU 31 9.987 -4.337 1.009 185 HD22 LEU 31 HD22 LEU 31 9.164 -3.174 2.082 186 HD23 LEU 31 HD23 LEU 31 10.827 -3.616 2.410 187 H ASN 32 H ASN 32 13.610 -5.524 -0.725 188 HA ASN 32 HA ASN 32 16.266 -4.413 -1.423 189 HB3 ASN 32 HB3 ASN 32 15.582 -6.957 -2.711 190 HD21 ASN 32 HD22 ASN 32 17.397 -8.370 -2.649 191 HD22 ASN 32 HD21 ASN 32 18.929 -7.939 -1.934 192 HA PRO 33 HA PRO 33 15.112 -2.847 -5.273 193 HB3 PRO 33 HB3 PRO 33 17.212 -2.607 -6.095 194 HG3 PRO 33 HG3 PRO 33 18.902 -4.122 -5.487 195 HD3 PRO 33 HD3 PRO 33 17.838 -3.802 -3.411 196 H HIS 34 H HIS 34 15.151 -6.326 -5.039 197 HA HIS 34 HA HIS 34 13.127 -6.623 -7.179 198 HB3 HIS 34 HB3 HIS 34 13.970 -9.005 -7.216 199 HD1 HIS 34 HD1 HIS 34 13.843 -7.068 -9.484 200 HD2 HIS 34 HD2 HIS 34 17.460 -8.001 -7.502 201 HE1 HIS 34 HE1 HIS 34 15.727 -6.486 -11.094 202 H SER 35 H SER 35 12.780 -6.127 -3.979 203 HA SER 35 HA SER 35 11.438 -8.602 -3.307 204 HB3 SER 35 HB3 SER 35 12.293 -7.356 -1.489 205 HG SER 35 HG SER 35 10.665 -5.142 -2.195 206 H THR 36 H THR 36 8.959 -8.289 -2.871 207 HA THR 36 HA THR 36 7.667 -6.831 -5.127 208 HB THR 36 HB THR 36 6.079 -8.883 -5.016 209 HG1 THR 36 HG1 THR 36 7.236 -10.762 -4.229 210 HG21 THR 36 HG21 THR 36 8.944 -9.319 -5.954 211 HG22 THR 36 HG22 THR 36 7.666 -8.426 -6.832 212 HG23 THR 36 HG23 THR 36 7.476 -10.157 -6.519 213 H MET 37 H MET 37 5.410 -6.458 -5.081 214 HA MET 37 HA MET 37 4.583 -5.221 -2.676 215 HB3 MET 37 HB3 MET 37 4.032 -4.841 -5.192 216 HG3 MET 37 HG3 MET 37 1.365 -6.024 -4.438 217 HE1 MET 37 HE1 MET 37 2.094 -3.135 -5.609 218 HE2 MET 37 HE2 MET 37 1.032 -3.016 -7.023 219 HE3 MET 37 HE3 MET 37 0.401 -3.676 -5.504 220 H ASP 38 H ASP 38 4.141 -8.442 -4.073 221 HA ASP 38 HA ASP 38 1.846 -9.417 -3.004 222 HB3 ASP 38 HB3 ASP 38 4.414 -11.043 -3.158 223 H SER 39 H SER 39 4.869 -9.088 -1.345 224 HA SER 39 HA SER 39 4.669 -10.471 1.033 225 HB3 SER 39 HB3 SER 39 5.654 -7.610 0.568 226 HG SER 39 HG SER 39 5.890 -8.269 2.731 227 H ILE 40 H ILE 40 3.250 -7.227 0.285 228 HA ILE 40 HA ILE 40 2.417 -6.833 3.013 229 HB ILE 40 HB ILE 40 1.441 -5.442 0.478 230 HG13 ILE 40 HG13 ILE 40 3.836 -4.909 2.275 231 HG21 ILE 40 HG21 ILE 40 1.329 -4.474 3.352 232 HG22 ILE 40 HG22 ILE 40 0.700 -3.652 1.912 233 HG23 ILE 40 HG23 ILE 40 -0.059 -5.144 2.458 234 HD11 ILE 40 HD11 ILE 40 4.723 -3.885 0.119 235 HD12 ILE 40 HD12 ILE 40 4.505 -5.637 0.030 236 HD13 ILE 40 HD13 ILE 40 3.323 -4.527 -0.716 237 H LEU 41 H LEU 41 0.916 -7.978 0.019 238 HA LEU 41 HA LEU 41 -1.739 -8.458 1.003 239 HB3 LEU 41 HB3 LEU 41 -1.950 -9.715 -1.124 240 HG LEU 41 HG LEU 41 -0.418 -7.103 -1.417 241 HD11 LEU 41 HD11 LEU 41 -0.484 -8.518 -3.449 242 HD12 LEU 41 HD12 LEU 41 -1.336 -6.976 -3.622 243 HD13 LEU 41 HD13 LEU 41 -2.258 -8.485 -3.353 244 HD21 LEU 41 HD21 LEU 41 -2.657 -6.074 -1.782 245 HD22 LEU 41 HD22 LEU 41 -2.449 -6.680 -0.121 246 HD23 LEU 41 HD23 LEU 41 -3.422 -7.598 -1.290 247 H GLY 42 H GLY 42 1.182 -10.088 1.670 248 HA2 GLY 42 HA2 GLY 42 -0.147 -12.673 2.292 249 HA3 GLY 42 HA3 GLY 42 1.543 -12.472 1.804 250 H ALA 43 H ALA 43 0.534 -9.973 3.910 251 HA ALA 43 HA ALA 43 0.979 -11.598 6.364 252 HB1 ALA 43 HB1 ALA 43 2.984 -10.379 6.364 253 HB2 ALA 43 HB2 ALA 43 2.220 -8.880 5.809 254 HB3 ALA 43 HB3 ALA 43 1.928 -9.477 7.457 255 H LEU 44 H LEU 44 -0.712 -8.877 4.734 256 HA LEU 44 HA LEU 44 -2.301 -8.505 7.227 257 HB3 LEU 44 HB3 LEU 44 -2.855 -6.296 6.307 258 HG LEU 44 HG LEU 44 -1.071 -5.140 6.965 259 HD11 LEU 44 HD11 LEU 44 -1.489 -6.915 8.663 260 HD12 LEU 44 HD12 LEU 44 0.148 -6.285 8.710 261 HD13 LEU 44 HD13 LEU 44 -0.137 -7.853 7.995 262 HD21 LEU 44 HD21 LEU 44 0.833 -7.141 5.724 263 HD22 LEU 44 HD22 LEU 44 1.281 -5.626 6.541 264 HD23 LEU 44 HD23 LEU 44 0.337 -5.593 5.039 265 H ALA 45 H ALA 45 -2.808 -10.347 4.564 266 HA ALA 45 HA ALA 45 -5.213 -9.402 3.458 267 HB1 ALA 45 HB1 ALA 45 -3.916 -11.294 2.557 268 HB2 ALA 45 HB2 ALA 45 -4.433 -12.306 3.908 269 HB3 ALA 45 HB3 ALA 45 -5.638 -11.683 2.764 270 HA PRO 46 HA PRO 46 -7.826 -11.296 6.830 271 HB3 PRO 46 HB3 PRO 46 -6.823 -13.308 7.602 272 HG3 PRO 46 HG3 PRO 46 -4.526 -13.323 8.301 273 HD3 PRO 46 HD3 PRO 46 -4.466 -12.610 6.073 274 H TYR 47 H TYR 47 -5.387 -9.005 7.531 275 HA TYR 47 HA TYR 47 -6.875 -7.988 9.919 276 HB3 TYR 47 HB3 TYR 47 -4.859 -7.003 10.674 277 HD1 TYR 47 HD1 TYR 47 -6.201 -9.564 11.295 278 HD2 TYR 47 HD2 TYR 47 -2.236 -8.825 9.758 279 HE1 TYR 47 HE1 TYR 47 -5.483 -11.743 12.158 280 HE2 TYR 47 HE2 TYR 47 -1.490 -11.005 10.637 281 HH TYR 47 HH TYR 47 -2.409 -13.131 11.218 282 H ALA 48 H ALA 48 -6.908 -7.587 6.737 283 HA ALA 48 HA ALA 48 -7.417 -4.674 6.896 284 HB1 ALA 48 HB1 ALA 48 -5.853 -4.207 5.068 285 HB2 ALA 48 HB2 ALA 48 -4.967 -4.973 6.386 286 HB3 ALA 48 HB3 ALA 48 -5.413 -5.914 4.940 287 H VAL 49 H VAL 49 -8.554 -3.870 5.117 288 HA VAL 49 HA VAL 49 -9.906 -5.896 3.410 289 HB VAL 49 HB VAL 49 -11.432 -5.333 5.024 290 HG11 VAL 49 HG11 VAL 49 -10.517 -3.312 6.007 291 HG12 VAL 49 HG12 VAL 49 -10.961 -2.374 4.555 292 HG13 VAL 49 HG13 VAL 49 -12.213 -3.100 5.588 293 HG21 VAL 49 HG21 VAL 49 -13.253 -4.401 3.733 294 HG22 VAL 49 HG22 VAL 49 -12.134 -3.643 2.596 295 HG23 VAL 49 HG23 VAL 49 -12.253 -5.414 2.689 296 H LEU 50 H LEU 50 -8.309 -5.654 1.853 297 HA LEU 50 HA LEU 50 -8.611 -3.472 0.002 298 HB3 LEU 50 HB3 LEU 50 -7.206 -2.238 1.301 299 HG LEU 50 HG LEU 50 -6.453 -3.719 3.041 300 HD11 LEU 50 HD11 LEU 50 -5.899 -5.807 2.007 301 HD12 LEU 50 HD12 LEU 50 -4.392 -5.165 2.661 302 HD13 LEU 50 HD13 LEU 50 -4.731 -5.051 0.917 303 HD21 LEU 50 HD21 LEU 50 -4.183 -2.808 3.199 304 HD22 LEU 50 HD22 LEU 50 -5.352 -1.635 2.596 305 HD23 LEU 50 HD23 LEU 50 -4.249 -2.386 1.447 306 H SER 51 H SER 51 -6.853 -3.777 -1.755 307 HA SER 51 HA SER 51 -5.750 -6.461 -1.956 308 HB3 SER 51 HB3 SER 51 -7.077 -5.833 -4.483 309 HG SER 51 HG SER 51 -7.833 -7.960 -2.867 310 H SER 52 H SER 52 -4.849 -6.275 -4.623 311 HA SER 52 HA SER 52 -2.531 -4.856 -4.134 312 HB3 SER 52 HB3 SER 52 -2.510 -6.787 -5.500 313 HG SER 52 HG SER 52 -3.608 -6.919 -7.437 314 H SER 53 H SER 53 -5.428 -3.297 -5.228 315 HA SER 53 HA SER 53 -3.924 -1.270 -6.750 316 HB3 SER 53 HB3 SER 53 -6.796 -0.850 -6.099 317 HG SER 53 HG SER 53 -5.860 0.448 -7.641 318 H ASN 54 H ASN 54 -4.994 -1.719 -3.411 319 HA ASN 54 HA ASN 54 -4.989 1.102 -2.680 320 HB3 ASN 54 HB3 ASN 54 -4.439 0.090 -0.359 321 HD21 ASN 54 HD22 ASN 54 -6.334 1.272 0.131 322 HD22 ASN 54 HD21 ASN 54 -7.938 0.597 -0.160 323 H VAL 55 H VAL 55 -2.652 -1.525 -2.726 324 HA VAL 55 HA VAL 55 -0.458 0.034 -1.634 325 HB VAL 55 HB VAL 55 -1.067 -2.199 -0.868 326 HG11 VAL 55 HG11 VAL 55 -0.210 -3.360 -3.503 327 HG12 VAL 55 HG12 VAL 55 -1.020 -4.152 -2.133 328 HG13 VAL 55 HG13 VAL 55 -1.899 -3.026 -3.133 329 HG21 VAL 55 HG21 VAL 55 1.082 -3.117 -0.659 330 HG22 VAL 55 HG22 VAL 55 1.640 -2.388 -2.193 331 HG23 VAL 55 HG23 VAL 55 1.320 -1.378 -0.772 332 H ARG 56 H ARG 56 1.592 0.188 -2.692 333 HA ARG 56 HA ARG 56 1.686 -0.146 -5.588 334 HB3 ARG 56 HB3 ARG 56 2.305 2.590 -4.445 335 HG3 ARG 56 HG3 ARG 56 2.578 2.044 -6.875 336 HD3 ARG 56 HD3 ARG 56 0.480 0.611 -7.116 337 HE ARG 56 HE ARG 56 -0.926 2.656 -5.970 338 HH11 ARG 56 HH11 ARG 56 -1.269 0.707 -8.893 339 HH12 ARG 56 HH12 ARG 56 -2.912 1.246 -9.187 340 HH21 ARG 56 HH22 ARG 56 -3.013 3.198 -6.233 341 HH22 ARG 56 HH21 ARG 56 -4.017 2.484 -7.446 342 H VAL 57 H VAL 57 3.997 0.281 -6.364 343 HA VAL 57 HA VAL 57 5.957 0.770 -4.279 344 HB VAL 57 HB VAL 57 5.835 -1.518 -4.142 345 HG11 VAL 57 HG11 VAL 57 4.701 -2.172 -6.170 346 HG12 VAL 57 HG12 VAL 57 6.187 -1.863 -7.105 347 HG13 VAL 57 HG13 VAL 57 6.121 -3.159 -5.860 348 HG21 VAL 57 HG21 VAL 57 8.268 -0.920 -5.874 349 HG22 VAL 57 HG22 VAL 57 8.115 -0.537 -4.142 350 HG23 VAL 57 HG23 VAL 57 8.106 -2.226 -4.681 351 H ILE 58 H ILE 58 6.684 2.527 -4.993 352 HA ILE 58 HA ILE 58 7.072 3.121 -7.855 353 HB ILE 58 HB ILE 58 8.067 4.802 -5.527 354 HG13 ILE 58 HG13 ILE 58 6.080 6.334 -6.112 355 HG21 ILE 58 HG21 ILE 58 7.575 5.474 -8.455 356 HG22 ILE 58 HG22 ILE 58 8.007 6.649 -7.195 357 HG23 ILE 58 HG23 ILE 58 9.141 5.382 -7.618 358 HD11 ILE 58 HD11 ILE 58 4.714 3.710 -6.824 359 HD12 ILE 58 HD12 ILE 58 4.012 5.329 -6.754 360 HD13 ILE 58 HD13 ILE 58 5.176 4.926 -8.042 361 H LYS 59 H LYS 59 8.909 3.068 -8.938 362 HA LYS 59 HA LYS 59 11.233 1.670 -7.710 363 HB3 LYS 59 HB3 LYS 59 11.678 0.990 -10.110 364 HG3 LYS 59 HG3 LYS 59 8.914 0.200 -9.056 365 HD3 LYS 59 HD3 LYS 59 9.335 -1.877 -10.381 366 HE3 LYS 59 HE3 LYS 59 9.243 0.719 -11.989 367 HZ1 LYS 59 HZ1 LYS 59 7.795 -0.692 -13.405 368 HZ2 LYS 59 HZ2 LYS 59 8.391 -2.011 -12.682 369 HZ3 LYS 59 HZ3 LYS 59 9.406 -0.996 -13.541 370 H ASP 60 H ASP 60 13.273 2.243 -9.076 371 HA ASP 60 HA ASP 60 13.714 5.077 -8.804 372 HB3 ASP 60 HB3 ASP 60 15.460 2.907 -9.984 373 H LYS 61 H LYS 61 15.164 6.085 -10.597 374 HA LYS 61 HA LYS 61 13.873 5.953 -13.269 375 HB3 LYS 61 HB3 LYS 61 15.196 8.169 -11.694 376 HG3 LYS 61 HG3 LYS 61 15.784 8.580 -13.996 377 HD3 LYS 61 HD3 LYS 61 12.882 7.913 -14.503 378 HE3 LYS 61 HE3 LYS 61 12.911 10.148 -15.347 379 HZ1 LYS 61 HZ1 LYS 61 15.268 10.580 -15.620 380 HZ2 LYS 61 HZ2 LYS 61 14.510 10.803 -17.045 381 HZ3 LYS 61 HZ3 LYS 61 15.371 9.461 -16.844 382 H GLN 62 H GLN 62 17.021 6.190 -11.460 383 HA GLN 62 HA GLN 62 18.630 6.110 -13.854 384 HB3 GLN 62 HB3 GLN 62 20.477 5.852 -12.478 385 HG3 GLN 62 HG3 GLN 62 18.607 7.231 -10.512 386 HE21 GLN 62 HE22 GLN 62 20.062 9.596 -10.226 387 HE22 GLN 62 HE21 GLN 62 21.728 9.254 -9.829 388 H THR 63 H THR 63 17.354 3.778 -11.537 389 HA THR 63 HA THR 63 18.085 1.508 -13.318 390 HB THR 63 HB THR 63 18.187 0.160 -11.310 391 HG1 THR 63 HG1 THR 63 17.759 2.549 -9.824 392 HG21 THR 63 HG21 THR 63 20.229 1.369 -11.990 393 HG22 THR 63 HG22 THR 63 20.158 1.119 -10.233 394 HG23 THR 63 HG23 THR 63 19.793 2.722 -10.913 395 H GLN 64 H GLN 64 16.319 -0.378 -12.487 396 HA GLN 64 HA GLN 64 13.657 0.909 -12.707 397 HB3 GLN 64 HB3 GLN 64 13.025 -1.011 -14.206 398 HG3 GLN 64 HG3 GLN 64 14.323 -0.317 -16.223 399 HE21 GLN 64 HE22 GLN 64 14.412 2.752 -14.427 400 HE22 GLN 64 HE21 GLN 64 12.863 3.319 -15.003 401 H LEU 65 H LEU 65 14.657 0.497 -10.296 402 HA LEU 65 HA LEU 65 13.800 -2.187 -9.323 403 HB3 LEU 65 HB3 LEU 65 15.806 -2.035 -7.896 404 HG LEU 65 HG LEU 65 16.534 -1.688 -10.834 405 HD11 LEU 65 HD11 LEU 65 18.154 -2.790 -8.528 406 HD12 LEU 65 HD12 LEU 65 18.378 -1.214 -9.309 407 HD13 LEU 65 HD13 LEU 65 18.662 -2.704 -10.234 408 HD21 LEU 65 HD21 LEU 65 16.766 -4.217 -10.739 409 HD22 LEU 65 HD22 LEU 65 15.099 -3.612 -10.666 410 HD23 LEU 65 HD23 LEU 65 15.896 -4.175 -9.198 411 H ASN 66 H ASN 66 13.533 -2.216 -6.934 412 HA ASN 66 HA ASN 66 11.714 -0.102 -6.194 413 HB3 ASN 66 HB3 ASN 66 11.494 -1.201 -4.036 414 HD21 ASN 66 HD22 ASN 66 12.018 -4.148 -4.068 415 HD22 ASN 66 HD21 ASN 66 10.839 -4.797 -5.201 416 H ARG 67 H ARG 67 12.098 1.761 -5.145 417 HA ARG 67 HA ARG 67 14.842 2.435 -4.266 418 HB3 ARG 67 HB3 ARG 67 13.692 4.693 -3.761 419 HG3 ARG 67 HG3 ARG 67 13.510 3.755 -6.622 420 HD3 ARG 67 HD3 ARG 67 13.169 6.309 -5.264 421 HE ARG 67 HE ARG 67 15.348 6.393 -7.337 422 HH11 ARG 67 HH11 ARG 67 13.944 7.846 -4.398 423 HH12 ARG 67 HH12 ARG 67 15.454 8.570 -3.903 424 HH21 ARG 67 HH22 ARG 67 17.187 7.773 -6.851 425 HH22 ARG 67 HH21 ARG 67 17.122 8.724 -5.425 426 H GLY 68 H GLY 68 14.117 0.363 -2.721 427 HA2 GLY 68 HA2 GLY 68 14.176 -0.259 -0.538 428 HA3 GLY 68 HA3 GLY 68 14.515 1.425 -0.159 429 H PHE 69 H PHE 69 11.459 1.265 -1.712 430 HA PHE 69 HA PHE 69 9.976 1.178 0.807 431 HB3 PHE 69 HB3 PHE 69 11.160 3.436 0.477 432 HD1 PHE 69 HD2 PHE 69 10.686 2.837 -2.707 433 HD2 PHE 69 HD1 PHE 69 9.123 5.631 0.175 434 HE1 PHE 69 HE2 PHE 69 10.154 4.417 -4.518 435 HE2 PHE 69 HE1 PHE 69 8.537 7.181 -1.638 436 HZ PHE 69 HZ PHE 69 9.086 6.552 -4.042 437 H ALA 70 H ALA 70 7.658 1.902 0.358 438 HA ALA 70 HA ALA 70 6.557 1.627 -2.279 439 HB1 ALA 70 HB1 ALA 70 6.444 -0.705 -0.355 440 HB2 ALA 70 HB2 ALA 70 4.995 -0.306 -1.235 441 HB3 ALA 70 HB3 ALA 70 6.502 -0.680 -2.114 442 H PHE 71 H PHE 71 3.909 1.553 -1.760 443 HA PHE 71 HA PHE 71 3.354 3.357 0.538 444 HB3 PHE 71 HB3 PHE 71 1.743 4.400 -1.347 445 HD1 PHE 71 HD2 PHE 71 2.979 5.412 1.075 446 HD2 PHE 71 HD1 PHE 71 4.086 5.922 -3.069 447 HE1 PHE 71 HE2 PHE 71 3.962 7.589 1.609 448 HE2 PHE 71 HE1 PHE 71 5.000 8.174 -2.519 449 HZ PHE 71 HZ PHE 71 5.038 8.963 -0.185 450 H ILE 72 H ILE 72 1.118 3.396 1.123 451 HA ILE 72 HA ILE 72 -0.730 1.445 -0.106 452 HB ILE 72 HB ILE 72 0.026 1.751 2.812 453 HG13 ILE 72 HG13 ILE 72 1.469 0.208 1.391 454 HG21 ILE 72 HG21 ILE 72 -1.783 0.069 3.302 455 HG22 ILE 72 HG22 ILE 72 -2.443 1.537 2.615 456 HG23 ILE 72 HG23 ILE 72 -2.250 0.099 1.591 457 HD11 ILE 72 HD11 ILE 72 -0.008 -1.174 3.643 458 HD12 ILE 72 HD12 ILE 72 1.549 -1.629 2.949 459 HD13 ILE 72 HD13 ILE 72 1.391 -0.094 3.815 460 H GLN 73 H GLN 73 -2.371 2.672 -0.791 461 HA GLN 73 HA GLN 73 -3.190 5.188 0.459 462 HB3 GLN 73 HB3 GLN 73 -4.575 3.495 -1.699 463 HG3 GLN 73 HG3 GLN 73 -5.250 5.732 -2.579 464 HE21 GLN 73 HE22 GLN 73 -6.029 6.907 0.488 465 HE22 GLN 73 HE21 GLN 73 -7.575 6.115 0.651 466 H LEU 74 H LEU 74 -4.946 5.339 1.949 467 HA LEU 74 HA LEU 74 -6.820 3.175 2.194 468 HB3 LEU 74 HB3 LEU 74 -5.564 3.626 4.853 469 HG LEU 74 HG LEU 74 -6.785 1.412 3.312 470 HD11 LEU 74 HD11 LEU 74 -5.322 -0.359 4.360 471 HD12 LEU 74 HD12 LEU 74 -4.103 0.906 4.621 472 HD13 LEU 74 HD13 LEU 74 -4.629 0.529 2.979 473 HD21 LEU 74 HD21 LEU 74 -7.198 0.529 5.568 474 HD22 LEU 74 HD22 LEU 74 -7.657 2.226 5.421 475 HD23 LEU 74 HD23 LEU 74 -6.153 1.801 6.247 476 H SER 75 H SER 75 -8.268 3.599 4.226 477 HA SER 75 HA SER 75 -9.210 6.332 4.323 478 HB3 SER 75 HB3 SER 75 -10.662 5.507 6.072 479 HG SER 75 HG SER 75 -10.415 3.286 4.332 480 H THR 76 H THR 76 -9.319 7.546 6.483 481 HA THR 76 HA THR 76 -6.697 8.209 7.162 482 HB THR 76 HB THR 76 -7.816 9.681 8.891 483 HG1 THR 76 HG1 THR 76 -9.962 9.823 8.857 484 HG21 THR 76 HG21 THR 76 -7.266 10.510 6.624 485 HG22 THR 76 HG22 THR 76 -8.782 11.200 7.213 486 HG23 THR 76 HG23 THR 76 -8.804 9.897 6.018 487 H ILE 77 H ILE 77 -9.118 7.168 9.587 488 HA ILE 77 HA ILE 77 -7.163 6.627 11.581 489 HB ILE 77 HB ILE 77 -10.041 5.797 11.268 490 HG13 ILE 77 HG13 ILE 77 -10.444 7.525 12.861 491 HG21 ILE 77 HG21 ILE 77 -10.028 5.254 13.703 492 HG22 ILE 77 HG22 ILE 77 -9.128 4.105 12.713 493 HG23 ILE 77 HG23 ILE 77 -8.250 5.306 13.677 494 HD11 ILE 77 HD11 ILE 77 -8.748 9.190 13.561 495 HD12 ILE 77 HD12 ILE 77 -8.466 7.603 14.296 496 HD13 ILE 77 HD13 ILE 77 -7.462 8.169 12.936 497 H GLU 78 H GLU 78 -8.664 4.563 9.170 498 HA GLU 78 HA GLU 78 -7.667 2.107 10.236 499 HB3 GLU 78 HB3 GLU 78 -8.387 1.114 8.121 500 HG3 GLU 78 HG3 GLU 78 -10.694 2.021 7.919 501 H ALA 79 H ALA 79 -6.098 4.523 8.161 502 HA ALA 79 HA ALA 79 -3.773 2.823 7.578 503 HB1 ALA 79 HB1 ALA 79 -2.674 5.038 7.097 504 HB2 ALA 79 HB2 ALA 79 -4.198 4.867 6.214 505 HB3 ALA 79 HB3 ALA 79 -4.119 5.836 7.681 506 H ALA 80 H ALA 80 -4.523 5.490 9.835 507 HA ALA 80 HA ALA 80 -2.218 5.591 11.259 508 HB1 ALA 80 HB1 ALA 80 -3.497 6.718 13.016 509 HB2 ALA 80 HB2 ALA 80 -4.157 7.175 11.430 510 HB3 ALA 80 HB3 ALA 80 -5.007 5.997 12.443 511 H GLN 81 H GLN 81 -5.007 3.518 12.164 512 HA GLN 81 HA GLN 81 -3.805 2.464 14.572 513 HB3 GLN 81 HB3 GLN 81 -6.216 2.687 14.155 514 HG3 GLN 81 HG3 GLN 81 -5.854 1.123 11.773 515 HE21 GLN 81 HE22 GLN 81 -8.828 0.367 11.894 516 HE22 GLN 81 HE21 GLN 81 -8.700 -1.303 12.418 517 H LEU 82 H LEU 82 -3.904 1.300 11.254 518 HA LEU 82 HA LEU 82 -3.246 -1.388 11.944 519 HB3 LEU 82 HB3 LEU 82 -2.189 -1.035 9.361 520 HG LEU 82 HG LEU 82 -4.115 -2.042 8.450 521 HD11 LEU 82 HD11 LEU 82 -4.033 -3.217 11.215 522 HD12 LEU 82 HD12 LEU 82 -2.659 -3.349 10.072 523 HD13 LEU 82 HD13 LEU 82 -4.271 -4.020 9.656 524 HD21 LEU 82 HD21 LEU 82 -5.988 -0.786 9.356 525 HD22 LEU 82 HD22 LEU 82 -5.636 -1.375 10.993 526 HD23 LEU 82 HD23 LEU 82 -6.204 -2.487 9.741 527 H LEU 83 H LEU 83 -1.255 1.421 11.229 528 HA LEU 83 HA LEU 83 1.290 0.388 10.981 529 HB3 LEU 83 HB3 LEU 83 0.425 2.742 12.711 530 HG LEU 83 HG LEU 83 2.929 2.015 12.759 531 HD11 LEU 83 HD11 LEU 83 3.090 1.493 10.323 532 HD12 LEU 83 HD12 LEU 83 4.276 2.703 10.855 533 HD13 LEU 83 HD13 LEU 83 2.827 3.184 9.957 534 HD21 LEU 83 HD21 LEU 83 3.657 4.373 12.589 535 HD22 LEU 83 HD22 LEU 83 2.154 4.159 13.509 536 HD23 LEU 83 HD23 LEU 83 2.078 4.780 11.846 537 H GLN 84 H GLN 84 -0.592 0.778 14.006 538 HA GLN 84 HA GLN 84 1.659 0.201 15.731 539 HB3 GLN 84 HB3 GLN 84 -0.299 -0.097 17.416 540 HG3 GLN 84 HG3 GLN 84 1.137 2.013 17.060 541 HE21 GLN 84 HE22 GLN 84 -2.303 2.359 16.035 542 HE22 GLN 84 HE21 GLN 84 -1.953 3.634 14.870 543 H ILE 85 H ILE 85 -0.523 -1.817 13.941 544 HA ILE 85 HA ILE 85 -0.026 -4.220 15.583 545 HB ILE 85 HB ILE 85 -1.504 -3.717 12.977 546 HG13 ILE 85 HG13 ILE 85 -2.457 -3.056 15.361 547 HG21 ILE 85 HG21 ILE 85 -0.634 -5.931 12.743 548 HG22 ILE 85 HG22 ILE 85 -0.887 -6.305 14.459 549 HG23 ILE 85 HG23 ILE 85 -2.267 -6.173 13.359 550 HD11 ILE 85 HD11 ILE 85 -4.013 -4.767 13.386 551 HD12 ILE 85 HD12 ILE 85 -4.734 -3.919 14.761 552 HD13 ILE 85 HD13 ILE 85 -3.929 -2.991 13.487 553 H LEU 86 H LEU 86 1.026 -2.709 12.509 554 HA LEU 86 HA LEU 86 2.712 -4.811 11.587 555 HB3 LEU 86 HB3 LEU 86 3.749 -3.171 10.186 556 HG LEU 86 HG LEU 86 0.937 -2.097 10.386 557 HD11 LEU 86 HD11 LEU 86 2.854 -2.390 8.060 558 HD12 LEU 86 HD12 LEU 86 2.509 -0.902 8.969 559 HD13 LEU 86 HD13 LEU 86 1.226 -1.663 8.011 560 HD21 LEU 86 HD21 LEU 86 0.611 -4.519 10.299 561 HD22 LEU 86 HD22 LEU 86 1.764 -4.637 8.946 562 HD23 LEU 86 HD23 LEU 86 0.195 -3.806 8.754 563 H GLN 87 H GLN 87 3.160 -2.659 14.254 564 HA GLN 87 HA GLN 87 6.017 -2.783 14.428 565 HB3 GLN 87 HB3 GLN 87 5.644 -2.219 16.820 566 HG3 GLN 87 HG3 GLN 87 4.390 -0.129 16.500 567 HE21 GLN 87 HE22 GLN 87 4.851 1.429 14.189 568 HE22 GLN 87 HE21 GLN 87 6.590 1.449 13.881 569 H ALA 88 H ALA 88 3.611 -5.285 14.942 570 HA ALA 88 HA ALA 88 5.586 -6.817 16.583 571 HB1 ALA 88 HB1 ALA 88 3.595 -7.881 17.560 572 HB2 ALA 88 HB2 ALA 88 3.645 -6.140 17.842 573 HB3 ALA 88 HB3 ALA 88 2.553 -6.801 16.601 574 H LEU 89 H LEU 89 4.404 -6.801 13.443 575 HA LEU 89 HA LEU 89 4.717 -9.756 13.299 576 HB3 LEU 89 HB3 LEU 89 2.319 -9.198 13.219 577 HG LEU 89 HG LEU 89 2.583 -7.119 11.581 578 HD11 LEU 89 HD11 LEU 89 2.666 -9.411 9.622 579 HD12 LEU 89 HD12 LEU 89 3.758 -8.007 9.727 580 HD13 LEU 89 HD13 LEU 89 2.101 -7.770 9.217 581 HD21 LEU 89 HD21 LEU 89 0.473 -8.010 12.440 582 HD22 LEU 89 HD22 LEU 89 0.464 -9.263 11.167 583 HD23 LEU 89 HD23 LEU 89 0.307 -7.539 10.756 584 H HIS 90 H HIS 90 5.394 -10.544 11.223 585 HA HIS 90 HA HIS 90 6.595 -8.634 9.343 586 HB3 HIS 90 HB3 HIS 90 8.563 -10.361 9.342 587 HD1 HIS 90 HD1 HIS 90 7.570 -7.213 11.090 588 HD2 HIS 90 HD2 HIS 90 10.853 -9.839 10.786 589 HE1 HIS 90 HE1 HIS 90 9.643 -5.832 11.621 590 HA PRO 91 HA PRO 91 4.698 -11.760 6.804 591 HB3 PRO 91 HB3 PRO 91 4.872 -10.041 5.167 592 HG3 PRO 91 HG3 PRO 91 6.985 -8.996 4.730 593 HD3 PRO 91 HD3 PRO 91 6.487 -8.536 6.988 594 HA PRO 92 HA PRO 92 7.543 -15.280 5.924 595 HB3 PRO 92 HB3 PRO 92 5.815 -16.608 5.249 596 HG3 PRO 92 HG3 PRO 92 3.863 -15.687 4.280 597 HD3 PRO 92 HD3 PRO 92 4.173 -14.335 6.171 598 H LEU 93 H LEU 93 6.451 -13.354 3.103 599 HA LEU 93 HA LEU 93 8.512 -13.736 1.342 600 HB3 LEU 93 HB3 LEU 93 7.877 -11.265 0.611 601 HG LEU 93 HG LEU 93 5.840 -11.911 -0.488 602 HD11 LEU 93 HD11 LEU 93 7.961 -12.338 -1.567 603 HD12 LEU 93 HD12 LEU 93 6.806 -13.611 -1.967 604 HD13 LEU 93 HD13 LEU 93 8.098 -13.927 -0.789 605 HD21 LEU 93 HD21 LEU 93 4.842 -13.374 1.182 606 HD22 LEU 93 HD22 LEU 93 6.118 -14.598 0.905 607 HD23 LEU 93 HD23 LEU 93 4.971 -14.178 -0.383 608 H THR 94 H THR 94 10.637 -13.685 2.037 609 HA THR 94 HA THR 94 11.733 -10.999 2.732 610 HB THR 94 HB THR 94 12.520 -13.514 4.133 611 HG1 THR 94 HG1 THR 94 10.397 -13.201 4.745 612 HG21 THR 94 HG21 THR 94 13.386 -11.977 5.895 613 HG22 THR 94 HG22 THR 94 12.889 -10.591 4.904 614 HG23 THR 94 HG23 THR 94 14.139 -11.708 4.317 615 H ILE 95 H ILE 95 12.488 -11.015 0.666 616 HA ILE 95 HA ILE 95 14.331 -13.068 -0.384 617 HB ILE 95 HB ILE 95 12.836 -11.596 -1.899 618 HG13 ILE 95 HG13 ILE 95 15.806 -11.873 -2.501 619 HG21 ILE 95 HG21 ILE 95 15.062 -9.548 -1.594 620 HG22 ILE 95 HG22 ILE 95 13.605 -9.441 -2.610 621 HG23 ILE 95 HG23 ILE 95 13.479 -9.378 -0.846 622 HD11 ILE 95 HD11 ILE 95 14.951 -13.712 -3.979 623 HD12 ILE 95 HD12 ILE 95 14.693 -14.055 -2.264 624 HD13 ILE 95 HD13 ILE 95 13.337 -13.487 -3.280 625 H ASP 96 H ASP 96 16.565 -12.950 -0.224 626 HA ASP 96 HA ASP 96 18.590 -12.374 0.304 627 HB3 ASP 96 HB3 ASP 96 17.799 -9.444 0.236 628 H GLY 97 H GLY 97 16.188 -11.668 2.460 629 HA2 GLY 97 HA2 GLY 97 16.477 -11.968 4.851 630 HA3 GLY 97 HA3 GLY 97 18.013 -11.107 4.762 631 H LYS 98 H LYS 98 15.448 -9.737 2.762 632 HA LYS 98 HA LYS 98 15.746 -7.371 4.453 633 HB3 LYS 98 HB3 LYS 98 14.653 -6.195 2.497 634 HG3 LYS 98 HG3 LYS 98 16.581 -6.696 0.941 635 HD3 LYS 98 HD3 LYS 98 18.415 -6.372 2.889 636 HE3 LYS 98 HE3 LYS 98 16.386 -4.246 2.109 637 HZ1 LYS 98 HZ1 LYS 98 19.091 -4.186 3.238 638 HZ2 LYS 98 HZ2 LYS 98 17.767 -3.374 3.728 639 HZ3 LYS 98 HZ3 LYS 98 18.528 -2.886 2.355 640 H THR 99 H THR 99 14.670 -7.787 6.148 641 HA THR 99 HA THR 99 11.876 -8.449 6.339 642 HB THR 99 HB THR 99 12.297 -7.426 8.723 643 HG1 THR 99 HG1 THR 99 14.249 -7.019 9.229 644 HG21 THR 99 HG21 THR 99 13.347 -9.559 9.413 645 HG22 THR 99 HG22 THR 99 13.761 -9.906 7.710 646 HG23 THR 99 HG23 THR 99 12.063 -9.832 8.227 647 H ILE 100 H ILE 100 10.251 -7.239 5.917 648 HA ILE 100 HA ILE 100 10.297 -4.515 5.025 649 HB ILE 100 HB ILE 100 7.896 -6.033 6.121 650 HG13 ILE 100 HG13 ILE 100 7.534 -6.920 3.818 651 HG21 ILE 100 HG21 ILE 100 8.181 -3.936 3.915 652 HG22 ILE 100 HG22 ILE 100 6.672 -4.742 4.413 653 HG23 ILE 100 HG23 ILE 100 7.527 -3.677 5.536 654 HD11 ILE 100 HD11 ILE 100 9.708 -7.273 2.509 655 HD12 ILE 100 HD12 ILE 100 8.895 -5.714 2.344 656 HD13 ILE 100 HD13 ILE 100 10.372 -5.889 3.327 657 H ASN 101 H ASN 101 10.227 -2.700 6.210 658 HA ASN 101 HA ASN 101 10.451 -2.912 9.122 659 HB3 ASN 101 HB3 ASN 101 10.327 -0.242 7.797 660 HD21 ASN 101 HD22 ASN 101 13.362 -1.758 8.635 661 HD22 ASN 101 HD21 ASN 101 13.478 -1.097 10.237 662 H VAL 102 H VAL 102 9.223 -0.373 9.843 663 HA VAL 102 HA VAL 102 6.540 -0.338 8.733 664 HB VAL 102 HB VAL 102 6.141 -1.876 10.364 665 HG11 VAL 102 HG11 VAL 102 8.154 -1.908 11.690 666 HG12 VAL 102 HG12 VAL 102 7.714 -0.349 12.444 667 HG13 VAL 102 HG13 VAL 102 6.720 -1.818 12.690 668 HG21 VAL 102 HG21 VAL 102 4.501 -0.132 10.407 669 HG22 VAL 102 HG22 VAL 102 4.746 -0.709 12.075 670 HG23 VAL 102 HG23 VAL 102 5.460 0.819 11.572 671 H GLU 103 H GLU 103 6.004 1.731 8.271 672 HA GLU 103 HA GLU 103 6.451 3.859 10.116 673 HB3 GLU 103 HB3 GLU 103 7.889 3.876 7.409 674 HG3 GLU 103 HG3 GLU 103 7.304 6.193 9.287 675 H PHE 104 H PHE 104 5.400 5.976 9.064 676 HA PHE 104 HA PHE 104 3.368 5.498 7.062 677 HB3 PHE 104 HB3 PHE 104 2.261 5.060 9.231 678 HD1 PHE 104 HD1 PHE 104 4.432 6.189 10.783 679 HD2 PHE 104 HD2 PHE 104 0.582 7.800 9.787 680 HE1 PHE 104 HE1 PHE 104 4.640 7.738 12.685 681 HE2 PHE 104 HE2 PHE 104 0.827 9.432 11.692 682 HZ PHE 104 HZ PHE 104 2.856 9.439 13.084 683 H ALA 105 H ALA 105 2.344 7.648 6.453 684 HA ALA 105 HA ALA 105 4.275 9.918 6.527 685 HB1 ALA 105 HB1 ALA 105 4.109 9.932 4.045 686 HB2 ALA 105 HB2 ALA 105 4.736 8.387 4.642 687 HB3 ALA 105 HB3 ALA 105 3.041 8.523 4.110 688 H LYS 106 H LYS 106 1.495 9.661 7.724 689 HA LYS 106 HA LYS 106 -0.464 10.797 6.014 690 HB3 LYS 106 HB3 LYS 106 -0.866 9.361 7.999 691 HG3 LYS 106 HG3 LYS 106 0.643 11.076 9.513 692 HD3 LYS 106 HD3 LYS 106 -2.037 11.462 10.722 693 HE3 LYS 106 HE3 LYS 106 0.303 13.392 10.383 694 HZ1 LYS 106 HZ1 LYS 106 -0.683 14.639 12.063 695 HZ2 LYS 106 HZ2 LYS 106 -1.656 13.448 12.590 696 HZ3 LYS 106 HZ3 LYS 106 -2.021 14.179 11.204 697 H GLY 107 H GLY 107 -1.812 12.737 6.363 698 HA2 GLY 107 HA2 GLY 107 -0.470 15.017 7.633 699 HA3 GLY 107 HA3 GLY 107 -0.711 15.118 5.901 700 H SER 108 H SER 108 -1.834 16.183 8.682 701 HA SER 108 HA SER 108 -4.701 16.084 8.574 702 HB3 SER 108 HB3 SER 108 -4.485 17.525 10.462 703 HG SER 108 HG SER 108 -3.183 16.400 11.662 704 H LYS 109 H LYS 109 -5.969 18.341 8.318 705 HA LYS 109 HA LYS 109 -4.556 20.461 7.019 706 HB3 LYS 109 HB3 LYS 109 -6.740 20.008 5.185 707 HG3 LYS 109 HG3 LYS 109 -3.777 19.884 4.619 708 HD3 LYS 109 HD3 LYS 109 -4.381 20.704 2.436 709 HE3 LYS 109 HE3 LYS 109 -4.653 18.146 3.047 710 HZ1 LYS 109 HZ1 LYS 109 -6.773 17.305 2.376 711 HZ2 LYS 109 HZ2 LYS 109 -7.392 18.789 2.098 712 HZ3 LYS 109 HZ3 LYS 109 -7.081 18.305 3.635 713 H ARG 110 H ARG 110 -5.745 22.378 6.900 714 HA ARG 110 HA ARG 110 -7.852 22.698 8.790 715 HB3 ARG 110 HB3 ARG 110 -6.230 24.447 8.449 716 HG3 ARG 110 HG3 ARG 110 -7.273 25.538 5.908 717 HD3 ARG 110 HD3 ARG 110 -4.775 25.473 5.353 718 HE ARG 110 HE ARG 110 -4.936 26.757 7.989 719 HH11 ARG 110 HH11 ARG 110 -5.581 27.123 4.514 720 HH12 ARG 110 HH12 ARG 110 -5.281 28.813 4.458 721 HH21 ARG 110 HH22 ARG 110 -4.983 29.080 8.010 722 HH22 ARG 110 HH21 ARG 110 -4.996 29.955 6.517 723 H ASP 111 H ASP 111 -9.920 23.504 8.456 724 HA ASP 111 HA ASP 111 -11.436 22.316 6.285 725 HB3 ASP 111 HB3 ASP 111 -13.360 23.079 7.503 726 H MET 112 H MET 112 -12.674 23.632 4.734 727 HA MET 112 HA MET 112 -12.378 26.500 4.680 728 HB3 MET 112 HB3 MET 112 -10.141 26.167 3.984 729 HG3 MET 112 HG3 MET 112 -10.236 23.753 3.379 730 HE1 MET 112 HE1 MET 112 -12.559 21.908 1.104 731 HE2 MET 112 HE2 MET 112 -11.215 21.739 2.253 732 HE3 MET 112 HE3 MET 112 -12.649 22.689 2.696 733 H ALA 113 H ALA 113 -14.279 24.129 4.108 734 HA ALA 113 HA ALA 113 -15.916 25.583 2.165 735 HB1 ALA 113 HB1 ALA 113 -14.974 22.745 1.521 736 HB2 ALA 113 HB2 ALA 113 -16.094 23.746 0.578 737 HB3 ALA 113 HB3 ALA 113 -14.376 24.208 0.722 738 H SER 114 H SER 114 -17.839 25.539 3.308 739 HA SER 114 HA SER 114 -19.022 22.982 3.953 740 HB3 SER 114 HB3 SER 114 -18.500 24.990 6.208 741 HG SER 114 HG SER 114 -19.447 22.295 6.108 742 H ASN 115 H ASN 115 -20.563 23.704 2.396 743 HA ASN 115 HA ASN 115 -22.554 25.634 3.449 744 HB3 ASN 115 HB3 ASN 115 -21.295 25.827 0.688 745 HD21 ASN 115 HD22 ASN 115 -22.346 27.289 -0.786 746 HD22 ASN 115 HD21 ASN 115 -23.985 27.856 -0.441 747 H GLU 116 H GLU 116 -23.604 23.660 3.907 748 HA GLU 116 HA GLU 116 -24.748 21.762 3.618 749 HB3 GLU 116 HB3 GLU 116 -26.471 23.245 3.374 750 HG3 GLU 116 HG3 GLU 116 -26.109 23.339 0.353 751 H GLY 117 H GLY 117 -22.713 20.829 3.031 752 HA2 GLY 117 HA2 GLY 117 -22.099 19.937 0.369 753 HA3 GLY 117 HA3 GLY 117 -21.410 19.358 1.889 754 H SER 118 H SER 118 -24.907 19.181 1.245 755 HA SER 118 HA SER 118 -24.714 16.222 1.034 756 HB3 SER 118 HB3 SER 118 -26.949 17.520 2.567 757 HG SER 118 HG SER 118 -25.541 15.401 3.573 758 H ARG 119 H ARG 119 -26.292 15.296 -0.253 759 HA ARG 119 HA ARG 119 -28.668 16.605 -1.107 760 HB3 ARG 119 HB3 ARG 119 -26.499 16.116 -3.200 761 HG3 ARG 119 HG3 ARG 119 -28.129 17.507 -4.628 762 HD3 ARG 119 HD3 ARG 119 -29.298 14.756 -4.206 763 HE ARG 119 HE ARG 119 -29.985 15.358 -6.312 764 HH11 ARG 119 HH11 ARG 119 -26.498 16.133 -6.030 765 HH12 ARG 119 HH12 ARG 119 -26.394 16.696 -7.669 766 HH21 ARG 119 HH22 ARG 119 -29.689 15.968 -8.568 767 HH22 ARG 119 HH21 ARG 119 -28.143 16.596 -9.056 768 H ILE 120 H ILE 120 -29.416 14.688 0.018 769 HA ILE 120 HA ILE 120 -29.056 12.137 -1.491 770 HB ILE 120 HB ILE 120 -29.269 12.518 1.524 771 HG13 ILE 120 HG13 ILE 120 -27.024 13.194 0.576 772 HG21 ILE 120 HG21 ILE 120 -28.883 10.000 -0.174 773 HG22 ILE 120 HG22 ILE 120 -28.787 10.047 1.591 774 HG23 ILE 120 HG23 ILE 120 -30.309 10.398 0.824 775 HD11 ILE 120 HD11 ILE 120 -26.743 10.613 2.133 776 HD12 ILE 120 HD12 ILE 120 -25.599 11.947 1.986 777 HD13 ILE 120 HD13 ILE 120 -27.126 12.202 2.848 778 H SER 121 H SER 121 -31.029 10.692 -1.274 779 HA SER 121 HA SER 121 -33.400 11.808 -0.175 780 HB3 SER 121 HB3 SER 121 -33.471 11.149 -3.147 781 HG SER 121 HG SER 121 -35.229 12.794 -1.658 782 H ALA 122 H ALA 122 -35.152 10.027 -0.372 783 HA ALA 122 HA ALA 122 -34.475 7.395 -1.147 784 HB1 ALA 122 HB1 ALA 122 -34.591 7.962 1.866 785 HB2 ALA 122 HB2 ALA 122 -34.533 6.353 1.116 786 HB3 ALA 122 HB3 ALA 122 -33.142 7.440 0.974 787 H ALA 123 H ALA 123 -36.375 5.965 -0.076 788 HA ALA 123 HA ALA 123 -38.778 7.556 0.547 789 HB1 ALA 123 HB1 ALA 123 -38.742 5.386 -1.604 790 HB2 ALA 123 HB2 ALA 123 -40.198 6.123 -0.895 791 HB3 ALA 123 HB3 ALA 123 -39.070 7.117 -1.834 792 H SER 124 H SER 124 -38.110 4.039 -0.059 793 HA SER 124 HA SER 124 -37.660 3.469 2.714 794 HB3 SER 124 HB3 SER 124 -39.558 1.794 2.830 795 HG SER 124 HG SER 124 -39.830 4.551 2.890 796 H VAL 125 H VAL 125 -37.319 0.966 2.855 797 HA VAL 125 HA VAL 125 -36.619 -0.316 0.327 798 HB VAL 125 HB VAL 125 -34.711 0.056 2.692 799 HG11 VAL 125 HG11 VAL 125 -34.350 -1.564 0.126 800 HG12 VAL 125 HG12 VAL 125 -33.086 -1.255 1.335 801 HG13 VAL 125 HG13 VAL 125 -34.492 -2.221 1.776 802 HG21 VAL 125 HG21 VAL 125 -34.643 2.037 1.266 803 HG22 VAL 125 HG22 VAL 125 -33.179 1.094 1.007 804 HG23 VAL 125 HG23 VAL 125 -34.493 1.033 -0.190 805 H ALA 126 H ALA 126 -37.056 -2.564 0.575 806 HA ALA 126 HA ALA 126 -38.031 -3.514 3.215 807 HB1 ALA 126 HB1 ALA 126 -39.637 -3.572 0.625 808 HB2 ALA 126 HB2 ALA 126 -40.133 -4.237 2.193 809 HB3 ALA 126 HB3 ALA 126 -39.940 -2.487 2.007 810 H SER 127 H SER 127 -35.752 -4.116 1.117 811 HA SER 127 HA SER 127 -36.268 -6.477 -0.208 812 HB3 SER 127 HB3 SER 127 -34.016 -6.260 -0.899 813 HG SER 127 HG SER 127 -33.846 -4.111 -1.327 814 H THR 128 H THR 128 -36.811 -6.967 2.703 815 HA THR 128 HA THR 128 -34.819 -8.850 3.677 816 HB THR 128 HB THR 128 -37.760 -8.522 4.425 817 HG1 THR 128 HG1 THR 128 -37.055 -7.039 5.947 818 HG21 THR 128 HG21 THR 128 -35.345 -9.472 6.045 819 HG22 THR 128 HG22 THR 128 -36.656 -10.500 5.428 820 HG23 THR 128 HG23 THR 128 -37.002 -9.286 6.662 821 H ALA 129 H ALA 129 -35.032 -11.154 3.486 822 HA ALA 129 HA ALA 129 -37.401 -12.371 2.453 823 HB1 ALA 129 HB1 ALA 129 -36.216 -11.931 0.300 824 HB2 ALA 129 HB2 ALA 129 -34.765 -12.744 0.942 825 HB3 ALA 129 HB3 ALA 129 -36.267 -13.660 0.676 826 H ILE 130 H ILE 130 -36.996 -14.858 2.684 827 HA ILE 130 HA ILE 130 -34.752 -15.507 4.514 828 HB ILE 130 HB ILE 130 -36.156 -16.971 5.814 829 HG13 ILE 130 HG13 ILE 130 -37.886 -17.506 4.130 830 HG21 ILE 130 HG21 ILE 130 -37.383 -14.181 5.806 831 HG22 ILE 130 HG22 ILE 130 -37.224 -15.298 7.178 832 HG23 ILE 130 HG23 ILE 130 -35.783 -14.572 6.476 833 HD11 ILE 130 HD11 ILE 130 -38.401 -17.896 6.544 834 HD12 ILE 130 HD12 ILE 130 -39.219 -16.313 6.585 835 HD13 ILE 130 HD13 ILE 130 -39.827 -17.596 5.530 836 H ALA 131 H ALA 131 -35.875 -15.863 1.630 837 HA ALA 131 HA ALA 131 -36.332 -17.372 -0.036 838 HB1 ALA 131 HB1 ALA 131 -37.140 -19.588 0.554 839 HB2 ALA 131 HB2 ALA 131 -35.441 -19.444 1.075 840 HB3 ALA 131 HB3 ALA 131 -36.768 -19.338 2.261 Start of MODEL 14 1 H1 GLN 1 H1 GLN 1 7.650 75.283 -14.943 2 HA GLN 1 HA GLN 1 6.446 74.092 -13.169 3 HB3 GLN 1 HB3 GLN 1 4.044 73.977 -13.183 4 HG3 GLN 1 HG3 GLN 1 3.273 76.144 -12.561 5 HE21 GLN 1 HE22 GLN 1 3.820 76.113 -10.305 6 HE22 GLN 1 HE21 GLN 1 5.473 76.244 -9.751 7 H ALA 2 H ALA 2 6.936 71.968 -13.782 8 HA ALA 2 HA ALA 2 5.491 70.721 -15.896 9 HB1 ALA 2 HB1 ALA 2 7.538 69.871 -17.048 10 HB2 ALA 2 HB2 ALA 2 7.355 71.620 -17.276 11 HB3 ALA 2 HB3 ALA 2 8.542 70.990 -16.104 12 H GLN 3 H GLN 3 5.067 68.700 -14.903 13 HA GLN 3 HA GLN 3 7.011 67.240 -13.497 14 HB3 GLN 3 HB3 GLN 3 6.538 68.844 -11.647 15 HG3 GLN 3 HG3 GLN 3 3.653 67.842 -11.817 16 HE21 GLN 3 HE22 GLN 3 4.126 67.000 -9.529 17 HE22 GLN 3 HE21 GLN 3 4.088 68.221 -8.260 18 H GLY 4 H GLY 4 5.606 65.394 -12.275 19 HA2 GLY 4 HA2 GLY 4 2.948 64.982 -13.341 20 HA3 GLY 4 HA3 GLY 4 4.110 63.660 -13.634 21 H VAL 5 H VAL 5 2.840 62.346 -12.123 22 HA VAL 5 HA VAL 5 4.005 62.598 -9.462 23 HB VAL 5 HB VAL 5 2.048 61.395 -8.499 24 HG11 VAL 5 HG11 VAL 5 1.365 64.162 -9.586 25 HG12 VAL 5 HG12 VAL 5 0.655 63.374 -8.162 26 HG13 VAL 5 HG13 VAL 5 2.367 63.827 -8.159 27 HG21 VAL 5 HG21 VAL 5 0.531 62.231 -11.018 28 HG22 VAL 5 HG22 VAL 5 0.974 60.565 -10.590 29 HG23 VAL 5 HG23 VAL 5 -0.150 61.469 -9.569 30 H LEU 6 H LEU 6 4.728 60.458 -8.743 31 HA LEU 6 HA LEU 6 4.773 58.361 -10.842 32 HB3 LEU 6 HB3 LEU 6 7.258 58.190 -10.454 33 HG LEU 6 HG LEU 6 6.387 60.860 -11.650 34 HD11 LEU 6 HD11 LEU 6 8.595 60.870 -12.732 35 HD12 LEU 6 HD12 LEU 6 9.045 59.386 -11.865 36 HD13 LEU 6 HD13 LEU 6 8.750 60.891 -10.971 37 HD21 LEU 6 HD21 LEU 6 5.447 58.947 -12.896 38 HD22 LEU 6 HD22 LEU 6 7.052 58.184 -12.975 39 HD23 LEU 6 HD23 LEU 6 6.732 59.712 -13.825 40 H ALA 7 H ALA 7 3.468 57.046 -9.479 41 HA ALA 7 HA ALA 7 5.032 55.627 -7.530 42 HB1 ALA 7 HB1 ALA 7 3.982 57.337 -6.039 43 HB2 ALA 7 HB2 ALA 7 2.379 56.918 -6.692 44 HB3 ALA 7 HB3 ALA 7 3.294 55.729 -5.743 45 H SER 8 H SER 8 4.160 53.523 -7.202 46 HA SER 8 HA SER 8 1.664 52.633 -8.269 47 HB3 SER 8 HB3 SER 8 4.258 51.958 -9.738 48 HG SER 8 HG SER 8 2.800 50.746 -11.071 49 H GLN 9 H GLN 9 1.238 51.081 -6.648 50 HA GLN 9 HA GLN 9 3.282 49.157 -5.901 51 HB3 GLN 9 HB3 GLN 9 2.652 49.471 -3.492 52 HG3 GLN 9 HG3 GLN 9 3.975 51.979 -4.599 53 HE21 GLN 9 HE22 GLN 9 6.298 51.734 -2.973 54 HE22 GLN 9 HE21 GLN 9 5.757 51.978 -1.312 55 H ALA 10 H ALA 10 2.138 47.255 -6.328 56 HA ALA 10 HA ALA 10 -0.386 46.856 -5.008 57 HB1 ALA 10 HB1 ALA 10 -1.561 46.038 -7.045 58 HB2 ALA 10 HB2 ALA 10 -1.214 47.776 -7.164 59 HB3 ALA 10 HB3 ALA 10 -0.210 46.607 -8.056 60 H LEU 11 H LEU 11 -0.743 44.565 -4.772 61 HA LEU 11 HA LEU 11 0.851 42.648 -6.228 62 HB3 LEU 11 HB3 LEU 11 1.310 41.330 -4.137 63 HG LEU 11 HG LEU 11 3.071 43.010 -5.287 64 HD11 LEU 11 HD11 LEU 11 2.488 44.945 -3.785 65 HD12 LEU 11 HD12 LEU 11 4.156 44.415 -3.579 66 HD13 LEU 11 HD13 LEU 11 2.926 43.965 -2.379 67 HD21 LEU 11 HD21 LEU 11 3.609 40.835 -4.302 68 HD22 LEU 11 HD22 LEU 11 3.507 41.522 -2.665 69 HD23 LEU 11 HD23 LEU 11 4.780 42.054 -3.787 70 H SER 12 H SER 12 -0.234 40.487 -5.934 71 HA SER 12 HA SER 12 -2.391 40.102 -4.127 72 HB3 SER 12 HB3 SER 12 -4.060 39.496 -6.005 73 HG SER 12 HG SER 12 -3.359 42.124 -5.246 74 H GLN 13 H GLN 13 -1.313 38.238 -3.483 75 HA GLN 13 HA GLN 13 -1.499 35.997 -5.230 76 HB3 GLN 13 HB3 GLN 13 1.242 36.399 -3.986 77 HG3 GLN 13 HG3 GLN 13 0.482 34.949 -6.554 78 HE21 GLN 13 HE22 GLN 13 2.175 33.368 -3.946 79 HE22 GLN 13 HE21 GLN 13 3.769 33.428 -4.716 80 H GLY 14 H GLY 14 -1.770 34.113 -3.870 81 HA2 GLY 14 HA2 GLY 14 -0.892 34.056 -1.157 82 HA3 GLY 14 HA3 GLY 14 -2.640 34.328 -1.287 83 H SER 15 H SER 15 -3.616 32.408 -0.967 84 HA SER 15 HA SER 15 -3.171 30.166 -2.671 85 HB3 SER 15 HB3 SER 15 -1.639 29.370 -1.116 86 HG SER 15 HG SER 15 -1.472 30.485 0.573 87 H GLU 16 H GLU 16 -4.886 28.776 -2.489 88 HA GLU 16 HA GLU 16 -7.457 29.787 -1.374 89 HB3 GLU 16 HB3 GLU 16 -7.600 30.243 -3.654 90 HG3 GLU 16 HG3 GLU 16 -6.373 27.529 -4.297 91 HA PRO 17 HA PRO 17 -6.371 25.570 0.190 92 HB3 PRO 17 HB3 PRO 17 -5.522 26.536 2.088 93 HG3 PRO 17 HG3 PRO 17 -6.555 28.455 3.088 94 HD3 PRO 17 HD3 PRO 17 -6.030 29.083 0.883 95 H SER 18 H SER 18 -8.261 25.421 -1.375 96 HA SER 18 HA SER 18 -10.826 24.672 -0.057 97 HB3 SER 18 HB3 SER 18 -10.458 25.474 -2.951 98 HG SER 18 HG SER 18 -12.522 26.309 -1.224 99 H SER 19 H SER 19 -8.187 23.019 -0.823 100 HA SER 19 HA SER 19 -9.687 20.724 -1.807 101 HB3 SER 19 HB3 SER 19 -8.971 21.989 -3.840 102 HG SER 19 HG SER 19 -6.683 22.157 -2.594 103 H GLU 20 H GLU 20 -9.150 19.239 -0.273 104 HA GLU 20 HA GLU 20 -6.350 18.624 0.109 105 HB3 GLU 20 HB3 GLU 20 -7.217 18.347 2.737 106 HG3 GLU 20 HG3 GLU 20 -5.511 20.477 1.402 107 H ASN 21 H ASN 21 -6.342 16.540 -0.380 108 HA ASN 21 HA ASN 21 -8.627 14.829 0.451 109 HB3 ASN 21 HB3 ASN 21 -7.397 14.340 -2.240 110 HD21 ASN 21 HD22 ASN 21 -10.583 15.125 -2.677 111 HD22 ASN 21 HD21 ASN 21 -11.324 13.590 -2.180 112 H ALA 22 H ALA 22 -6.215 15.221 1.847 113 HA ALA 22 HA ALA 22 -5.189 12.532 1.849 114 HB1 ALA 22 HB1 ALA 22 -3.692 13.465 0.152 115 HB2 ALA 22 HB2 ALA 22 -3.331 14.848 1.206 116 HB3 ALA 22 HB3 ALA 22 -2.809 13.198 1.677 117 H ASN 23 H ASN 23 -5.166 12.140 3.997 118 HA ASN 23 HA ASN 23 -3.357 13.753 5.515 119 HB3 ASN 23 HB3 ASN 23 -5.890 13.416 7.105 120 HD21 ASN 23 HD22 ASN 23 -3.047 13.418 7.855 121 HD22 ASN 23 HD21 ASN 23 -2.749 14.910 8.780 122 H ASP 24 H ASP 24 -4.175 10.922 4.512 123 HA ASP 24 HA ASP 24 -2.856 9.428 6.702 124 HB3 ASP 24 HB3 ASP 24 -4.881 8.866 7.453 125 H THR 25 H THR 25 -1.166 8.390 5.666 126 HA THR 25 HA THR 25 -1.734 6.599 3.488 127 HB THR 25 HB THR 25 0.211 8.914 3.053 128 HG1 THR 25 HG1 THR 25 -2.246 8.890 2.457 129 HG21 THR 25 HG21 THR 25 0.662 7.868 0.840 130 HG22 THR 25 HG22 THR 25 -0.286 6.456 1.342 131 HG23 THR 25 HG23 THR 25 1.218 6.872 2.197 132 H ILE 26 H ILE 26 -0.199 4.856 3.672 133 HA ILE 26 HA ILE 26 1.858 5.142 5.818 134 HB ILE 26 HB ILE 26 0.243 2.858 4.693 135 HG13 ILE 26 HG13 ILE 26 -0.316 4.486 6.775 136 HG21 ILE 26 HG21 ILE 26 2.469 1.865 4.798 137 HG22 ILE 26 HG22 ILE 26 2.725 2.505 6.436 138 HG23 ILE 26 HG23 ILE 26 1.509 1.260 6.137 139 HD11 ILE 26 HD11 ILE 26 -0.720 1.485 6.567 140 HD12 ILE 26 HD12 ILE 26 -1.394 2.449 7.883 141 HD13 ILE 26 HD13 ILE 26 -1.842 2.811 6.192 142 H ILE 27 H ILE 27 3.878 3.922 5.367 143 HA ILE 27 HA ILE 27 4.754 3.802 2.607 144 HB ILE 27 HB ILE 27 5.126 6.165 3.370 145 HG13 ILE 27 HG13 ILE 27 7.386 4.454 2.394 146 HG21 ILE 27 HG21 ILE 27 6.845 6.749 4.978 147 HG22 ILE 27 HG22 ILE 27 5.632 5.726 5.759 148 HG23 ILE 27 HG23 ILE 27 7.208 5.046 5.257 149 HD11 ILE 27 HD11 ILE 27 7.425 6.307 0.674 150 HD12 ILE 27 HD12 ILE 27 5.839 5.528 0.787 151 HD13 ILE 27 HD13 ILE 27 6.122 7.113 1.541 152 H LEU 28 H LEU 28 6.294 2.146 2.478 153 HA LEU 28 HA LEU 28 6.913 0.626 4.992 154 HB3 LEU 28 HB3 LEU 28 7.651 -1.173 3.471 155 HG LEU 28 HG LEU 28 5.686 -2.138 2.672 156 HD11 LEU 28 HD11 LEU 28 4.842 -0.492 5.097 157 HD12 LEU 28 HD12 LEU 28 5.837 -1.963 5.149 158 HD13 LEU 28 HD13 LEU 28 4.169 -2.049 4.568 159 HD21 LEU 28 HD21 LEU 28 3.635 -1.095 2.187 160 HD22 LEU 28 HD22 LEU 28 4.853 -0.099 1.404 161 HD23 LEU 28 HD23 LEU 28 4.123 0.446 2.927 162 H ARG 29 H ARG 29 9.129 0.288 5.427 163 HA ARG 29 HA ARG 29 11.051 1.876 3.751 164 HB3 ARG 29 HB3 ARG 29 12.224 2.446 5.840 165 HG3 ARG 29 HG3 ARG 29 9.262 3.117 6.174 166 HD3 ARG 29 HD3 ARG 29 10.193 5.077 7.453 167 HE ARG 29 HE ARG 29 9.704 2.701 8.596 168 HH11 ARG 29 HH11 ARG 29 11.567 5.355 9.671 169 HH12 ARG 29 HH12 ARG 29 12.415 4.561 10.949 170 HH21 ARG 29 HH22 ARG 29 10.124 1.891 10.661 171 HH22 ARG 29 HH21 ARG 29 11.460 2.537 11.595 172 H ASN 30 H ASN 30 13.251 1.029 3.861 173 HA ASN 30 HA ASN 30 14.989 -0.304 4.319 174 HB3 ASN 30 HB3 ASN 30 13.256 -2.161 5.967 175 HD21 ASN 30 HD22 ASN 30 14.535 -3.737 7.088 176 HD22 ASN 30 HD21 ASN 30 16.294 -3.718 6.982 177 H LEU 31 H LEU 31 13.086 -0.783 2.064 178 HA LEU 31 HA LEU 31 13.025 -3.708 1.793 179 HB3 LEU 31 HB3 LEU 31 12.106 -3.185 -0.527 180 HG LEU 31 HG LEU 31 10.625 -3.278 1.472 181 HD11 LEU 31 HD11 LEU 31 11.223 -0.473 1.599 182 HD12 LEU 31 HD12 LEU 31 10.792 -1.684 2.804 183 HD13 LEU 31 HD13 LEU 31 9.505 -0.909 1.865 184 HD21 LEU 31 HD21 LEU 31 8.657 -2.458 0.322 185 HD22 LEU 31 HD22 LEU 31 9.738 -3.191 -0.870 186 HD23 LEU 31 HD23 LEU 31 9.665 -1.412 -0.726 187 H ASN 32 H ASN 32 13.637 -4.482 -0.445 188 HA ASN 32 HA ASN 32 16.409 -3.523 -1.093 189 HB3 ASN 32 HB3 ASN 32 16.040 -6.244 -2.018 190 HD21 ASN 32 HD22 ASN 32 17.954 -7.671 -1.321 191 HD22 ASN 32 HD21 ASN 32 19.284 -6.841 -0.595 192 HA PRO 33 HA PRO 33 15.064 -2.759 -5.158 193 HB3 PRO 33 HB3 PRO 33 17.067 -2.442 -6.098 194 HG3 PRO 33 HG3 PRO 33 18.968 -3.384 -5.081 195 HD3 PRO 33 HD3 PRO 33 17.680 -2.710 -3.224 196 H HIS 34 H HIS 34 15.049 -5.981 -4.076 197 HA HIS 34 HA HIS 34 13.480 -6.980 -6.400 198 HB3 HIS 34 HB3 HIS 34 14.490 -9.214 -5.576 199 HD1 HIS 34 HD1 HIS 34 14.971 -9.742 -8.037 200 HD2 HIS 34 HD2 HIS 34 17.162 -6.511 -6.454 201 HE1 HIS 34 HE1 HIS 34 16.608 -8.996 -9.866 202 H SER 35 H SER 35 12.826 -5.823 -3.417 203 HA SER 35 HA SER 35 11.422 -8.023 -2.275 204 HB3 SER 35 HB3 SER 35 10.355 -6.409 -0.864 205 HG SER 35 HG SER 35 12.415 -6.808 -0.254 206 H THR 36 H THR 36 9.108 -8.220 -2.428 207 HA THR 36 HA THR 36 7.831 -7.087 -4.902 208 HB THR 36 HB THR 36 6.564 -9.310 -4.841 209 HG1 THR 36 HG1 THR 36 8.841 -10.159 -3.369 210 HG21 THR 36 HG21 THR 36 8.323 -10.490 -6.023 211 HG22 THR 36 HG22 THR 36 9.522 -9.281 -5.486 212 HG23 THR 36 HG23 THR 36 8.156 -8.814 -6.537 213 H MET 37 H MET 37 5.490 -7.030 -5.092 214 HA MET 37 HA MET 37 4.206 -5.619 -3.154 215 HB3 MET 37 HB3 MET 37 3.172 -7.321 -5.431 216 HG3 MET 37 HG3 MET 37 1.659 -5.564 -3.496 217 HE1 MET 37 HE1 MET 37 0.759 -2.948 -6.087 218 HE2 MET 37 HE2 MET 37 1.210 -3.318 -4.412 219 HE3 MET 37 HE3 MET 37 2.380 -3.613 -5.714 220 H ASP 38 H ASP 38 4.154 -9.187 -3.670 221 HA ASP 38 HA ASP 38 1.847 -9.640 -2.096 222 HB3 ASP 38 HB3 ASP 38 3.004 -12.052 -1.850 223 H SER 39 H SER 39 5.150 -9.212 -1.091 224 HA SER 39 HA SER 39 5.195 -10.053 1.549 225 HB3 SER 39 HB3 SER 39 6.962 -8.505 1.846 226 HG SER 39 HG SER 39 6.936 -8.323 -0.955 227 H ILE 40 H ILE 40 3.341 -7.359 0.180 228 HA ILE 40 HA ILE 40 2.715 -6.341 2.885 229 HB ILE 40 HB ILE 40 1.802 -5.213 0.207 230 HG13 ILE 40 HG13 ILE 40 4.227 -4.487 1.896 231 HG21 ILE 40 HG21 ILE 40 1.808 -4.130 3.065 232 HG22 ILE 40 HG22 ILE 40 1.256 -3.239 1.639 233 HG23 ILE 40 HG23 ILE 40 0.383 -4.678 2.160 234 HD11 ILE 40 HD11 ILE 40 5.239 -4.003 -0.348 235 HD12 ILE 40 HD12 ILE 40 4.807 -5.709 -0.180 236 HD13 ILE 40 HD13 ILE 40 3.774 -4.618 -1.125 237 H LEU 41 H LEU 41 0.974 -7.392 -0.133 238 HA LEU 41 HA LEU 41 -1.543 -7.499 0.921 239 HB3 LEU 41 HB3 LEU 41 -1.877 -9.413 -0.823 240 HG LEU 41 HG LEU 41 -2.543 -7.103 -1.236 241 HD11 LEU 41 HD11 LEU 41 -0.595 -5.823 -0.871 242 HD12 LEU 41 HD12 LEU 41 -1.050 -5.594 -2.560 243 HD13 LEU 41 HD13 LEU 41 0.300 -6.684 -2.132 244 HD21 LEU 41 HD21 LEU 41 -1.106 -8.371 -3.612 245 HD22 LEU 41 HD22 LEU 41 -2.453 -7.208 -3.696 246 HD23 LEU 41 HD23 LEU 41 -2.711 -8.820 -3.023 247 H GLY 42 H GLY 42 0.677 -10.386 0.797 248 HA2 GLY 42 HA2 GLY 42 -1.241 -12.080 2.070 249 HA3 GLY 42 HA3 GLY 42 0.491 -12.387 1.924 250 H ALA 43 H ALA 43 1.175 -9.832 3.398 251 HA ALA 43 HA ALA 43 1.279 -11.004 6.040 252 HB1 ALA 43 HB1 ALA 43 2.342 -8.905 6.698 253 HB2 ALA 43 HB2 ALA 43 3.002 -9.428 5.135 254 HB3 ALA 43 HB3 ALA 43 1.823 -8.116 5.202 255 H LEU 44 H LEU 44 -0.809 -8.672 4.415 256 HA LEU 44 HA LEU 44 -2.079 -7.955 7.016 257 HB3 LEU 44 HB3 LEU 44 -2.559 -5.819 6.006 258 HG LEU 44 HG LEU 44 0.319 -6.436 5.223 259 HD11 LEU 44 HD11 LEU 44 0.678 -4.065 5.710 260 HD12 LEU 44 HD12 LEU 44 -1.055 -3.885 6.111 261 HD13 LEU 44 HD13 LEU 44 -0.550 -4.295 4.461 262 HD21 LEU 44 HD21 LEU 44 0.093 -7.219 7.523 263 HD22 LEU 44 HD22 LEU 44 -0.737 -5.733 7.968 264 HD23 LEU 44 HD23 LEU 44 0.981 -5.705 7.487 265 H ALA 45 H ALA 45 -2.780 -9.680 4.177 266 HA ALA 45 HA ALA 45 -5.204 -8.930 3.343 267 HB1 ALA 45 HB1 ALA 45 -5.616 -11.354 2.769 268 HB2 ALA 45 HB2 ALA 45 -4.100 -10.661 2.190 269 HB3 ALA 45 HB3 ALA 45 -4.093 -11.736 3.596 270 HA PRO 46 HA PRO 46 -7.911 -11.123 6.458 271 HB3 PRO 46 HB3 PRO 46 -7.088 -13.170 7.152 272 HG3 PRO 46 HG3 PRO 46 -4.765 -13.457 7.670 273 HD3 PRO 46 HD3 PRO 46 -4.866 -12.572 5.489 274 H TYR 47 H TYR 47 -5.648 -8.761 7.172 275 HA TYR 47 HA TYR 47 -7.056 -7.870 9.630 276 HB3 TYR 47 HB3 TYR 47 -5.001 -6.804 10.255 277 HD1 TYR 47 HD1 TYR 47 -6.208 -9.580 10.737 278 HD2 TYR 47 HD2 TYR 47 -2.316 -8.387 9.307 279 HE1 TYR 47 HE1 TYR 47 -5.325 -11.779 11.350 280 HE2 TYR 47 HE2 TYR 47 -1.396 -10.558 10.029 281 HH TYR 47 HH TYR 47 -3.597 -13.224 10.992 282 H ALA 48 H ALA 48 -7.222 -7.367 6.410 283 HA ALA 48 HA ALA 48 -7.888 -4.487 6.692 284 HB1 ALA 48 HB1 ALA 48 -5.858 -5.537 4.692 285 HB2 ALA 48 HB2 ALA 48 -6.462 -3.859 4.821 286 HB3 ALA 48 HB3 ALA 48 -5.484 -4.552 6.118 287 H VAL 49 H VAL 49 -9.039 -3.614 4.835 288 HA VAL 49 HA VAL 49 -10.040 -5.657 2.945 289 HB VAL 49 HB VAL 49 -11.767 -5.126 4.529 290 HG11 VAL 49 HG11 VAL 49 -11.308 -2.744 4.963 291 HG12 VAL 49 HG12 VAL 49 -11.883 -2.339 3.327 292 HG13 VAL 49 HG13 VAL 49 -12.988 -3.057 4.510 293 HG21 VAL 49 HG21 VAL 49 -13.498 -4.763 2.787 294 HG22 VAL 49 HG22 VAL 49 -12.213 -4.328 1.636 295 HG23 VAL 49 HG23 VAL 49 -12.277 -5.962 2.338 296 H LEU 50 H LEU 50 -8.474 -5.362 1.535 297 HA LEU 50 HA LEU 50 -8.385 -2.850 -0.006 298 HB3 LEU 50 HB3 LEU 50 -6.787 -2.369 1.654 299 HG LEU 50 HG LEU 50 -6.288 -4.637 2.586 300 HD11 LEU 50 HD11 LEU 50 -5.828 -6.036 0.656 301 HD12 LEU 50 HD12 LEU 50 -4.371 -5.914 1.625 302 HD13 LEU 50 HD13 LEU 50 -4.509 -4.952 0.128 303 HD21 LEU 50 HD21 LEU 50 -3.911 -4.069 3.023 304 HD22 LEU 50 HD22 LEU 50 -4.977 -2.665 3.116 305 HD23 LEU 50 HD23 LEU 50 -3.986 -2.889 1.653 306 H SER 51 H SER 51 -6.565 -3.176 -1.780 307 HA SER 51 HA SER 51 -6.074 -5.924 -2.555 308 HB3 SER 51 HB3 SER 51 -8.146 -5.784 -3.689 309 HG SER 51 HG SER 51 -8.679 -3.691 -3.595 310 H SER 52 H SER 52 -4.886 -5.627 -4.953 311 HA SER 52 HA SER 52 -2.428 -4.363 -4.475 312 HB3 SER 52 HB3 SER 52 -2.331 -6.167 -5.881 313 HG SER 52 HG SER 52 -3.991 -5.845 -7.888 314 H SER 53 H SER 53 -5.353 -2.748 -5.279 315 HA SER 53 HA SER 53 -4.068 -0.597 -6.768 316 HB3 SER 53 HB3 SER 53 -6.236 0.610 -5.916 317 HG SER 53 HG SER 53 -6.137 0.051 -8.045 318 H ASN 54 H ASN 54 -4.729 -1.328 -3.340 319 HA ASN 54 HA ASN 54 -4.383 1.302 -2.336 320 HB3 ASN 54 HB3 ASN 54 -3.958 0.095 -0.140 321 HD21 ASN 54 HD22 ASN 54 -5.892 1.057 0.537 322 HD22 ASN 54 HD21 ASN 54 -7.469 0.441 0.056 323 H VAL 55 H VAL 55 -2.178 -1.476 -2.404 324 HA VAL 55 HA VAL 55 0.119 -0.070 -1.356 325 HB VAL 55 HB VAL 55 -0.150 -2.767 -2.762 326 HG11 VAL 55 HG11 VAL 55 2.210 -1.971 -2.663 327 HG12 VAL 55 HG12 VAL 55 2.049 -1.721 -0.911 328 HG13 VAL 55 HG13 VAL 55 1.939 -3.356 -1.606 329 HG21 VAL 55 HG21 VAL 55 -0.214 -2.127 0.210 330 HG22 VAL 55 HG22 VAL 55 -1.566 -2.763 -0.754 331 HG23 VAL 55 HG23 VAL 55 -0.127 -3.737 -0.479 332 H ARG 56 H ARG 56 1.744 0.915 -2.526 333 HA ARG 56 HA ARG 56 1.864 0.412 -5.443 334 HB3 ARG 56 HB3 ARG 56 2.469 3.145 -4.291 335 HG3 ARG 56 HG3 ARG 56 3.162 2.467 -6.669 336 HD3 ARG 56 HD3 ARG 56 0.845 1.365 -7.169 337 HE ARG 56 HE ARG 56 -0.171 3.865 -6.589 338 HH11 ARG 56 HH11 ARG 56 -0.180 1.941 -9.596 339 HH12 ARG 56 HH12 ARG 56 -1.525 2.836 -10.251 340 HH21 ARG 56 HH22 ARG 56 -1.875 4.958 -7.449 341 HH22 ARG 56 HH21 ARG 56 -2.510 4.571 -9.032 342 H VAL 57 H VAL 57 4.013 0.376 -6.201 343 HA VAL 57 HA VAL 57 6.130 0.647 -4.140 344 HB VAL 57 HB VAL 57 5.800 -1.606 -4.134 345 HG11 VAL 57 HG11 VAL 57 5.725 -1.735 -7.164 346 HG12 VAL 57 HG12 VAL 57 5.582 -3.083 -5.999 347 HG13 VAL 57 HG13 VAL 57 4.316 -1.905 -6.071 348 HG21 VAL 57 HG21 VAL 57 8.179 -0.908 -4.443 349 HG22 VAL 57 HG22 VAL 57 7.878 -2.512 -5.130 350 HG23 VAL 57 HG23 VAL 57 8.011 -1.119 -6.204 351 H ILE 58 H ILE 58 7.357 2.139 -4.665 352 HA ILE 58 HA ILE 58 7.570 3.133 -7.434 353 HB ILE 58 HB ILE 58 8.867 4.254 -4.914 354 HG13 ILE 58 HG13 ILE 58 7.011 5.890 -4.741 355 HG21 ILE 58 HG21 ILE 58 9.775 5.118 -7.005 356 HG22 ILE 58 HG22 ILE 58 8.153 5.509 -7.602 357 HG23 ILE 58 HG23 ILE 58 8.817 6.384 -6.215 358 HD11 ILE 58 HD11 ILE 58 5.411 4.004 -6.530 359 HD12 ILE 58 HD12 ILE 58 4.796 5.392 -5.627 360 HD13 ILE 58 HD13 ILE 58 5.914 5.651 -6.971 361 H LYS 59 H LYS 59 9.103 2.624 -8.692 362 HA LYS 59 HA LYS 59 11.620 1.441 -7.691 363 HB3 LYS 59 HB3 LYS 59 10.731 -0.538 -8.446 364 HG3 LYS 59 HG3 LYS 59 8.971 1.060 -10.254 365 HD3 LYS 59 HD3 LYS 59 10.070 -0.938 -11.519 366 HE3 LYS 59 HE3 LYS 59 8.054 -2.354 -9.696 367 HZ1 LYS 59 HZ1 LYS 59 8.529 -3.463 -11.831 368 HZ2 LYS 59 HZ2 LYS 59 9.093 -4.311 -10.535 369 HZ3 LYS 59 HZ3 LYS 59 10.171 -3.479 -11.411 370 H ASP 60 H ASP 60 13.192 1.457 -9.633 371 HA ASP 60 HA ASP 60 13.432 4.199 -10.587 372 HB3 ASP 60 HB3 ASP 60 14.907 1.619 -11.151 373 H LYS 61 H LYS 61 13.539 4.732 -12.842 374 HA LYS 61 HA LYS 61 11.525 3.431 -14.570 375 HB3 LYS 61 HB3 LYS 61 13.098 5.999 -14.708 376 HG3 LYS 61 HG3 LYS 61 12.673 5.367 -16.968 377 HD3 LYS 61 HD3 LYS 61 9.761 5.068 -16.099 378 HE3 LYS 61 HE3 LYS 61 10.973 5.627 -18.845 379 HZ1 LYS 61 HZ1 LYS 61 9.288 4.202 -19.405 380 HZ2 LYS 61 HZ2 LYS 61 8.508 5.641 -19.402 381 HZ3 LYS 61 HZ3 LYS 61 8.298 4.597 -18.151 382 H GLN 62 H GLN 62 15.096 4.035 -14.375 383 HA GLN 62 HA GLN 62 15.562 3.496 -17.147 384 HB3 GLN 62 HB3 GLN 62 17.861 3.509 -16.661 385 HG3 GLN 62 HG3 GLN 62 16.686 5.325 -14.521 386 HE21 GLN 62 HE22 GLN 62 17.834 7.647 -15.536 387 HE22 GLN 62 HE21 GLN 62 19.569 7.539 -15.277 388 H THR 63 H THR 63 16.160 1.738 -14.217 389 HA THR 63 HA THR 63 16.072 -0.948 -15.403 390 HB THR 63 HB THR 63 17.003 -1.607 -13.250 391 HG1 THR 63 HG1 THR 63 16.619 1.127 -12.505 392 HG21 THR 63 HG21 THR 63 19.104 -0.384 -13.204 393 HG22 THR 63 HG22 THR 63 18.395 1.012 -14.041 394 HG23 THR 63 HG23 THR 63 18.593 -0.534 -14.896 395 H GLN 64 H GLN 64 14.776 -2.296 -13.284 396 HA GLN 64 HA GLN 64 12.203 -0.853 -12.912 397 HB3 GLN 64 HB3 GLN 64 11.109 -3.131 -13.267 398 HG3 GLN 64 HG3 GLN 64 11.424 -3.210 -15.738 399 HE21 GLN 64 HE22 GLN 64 11.887 0.265 -14.970 400 HE22 GLN 64 HE21 GLN 64 10.185 0.655 -15.039 401 H LEU 65 H LEU 65 14.445 -0.962 -11.108 402 HA LEU 65 HA LEU 65 13.783 -3.137 -9.172 403 HB3 LEU 65 HB3 LEU 65 15.945 -2.539 -8.185 404 HG LEU 65 HG LEU 65 16.241 -2.850 -11.202 405 HD11 LEU 65 HD11 LEU 65 18.083 -3.426 -8.854 406 HD12 LEU 65 HD12 LEU 65 18.239 -2.081 -10.002 407 HD13 LEU 65 HD13 LEU 65 18.461 -3.751 -10.570 408 HD21 LEU 65 HD21 LEU 65 16.535 -5.287 -10.677 409 HD22 LEU 65 HD22 LEU 65 14.893 -4.708 -10.373 410 HD23 LEU 65 HD23 LEU 65 16.017 -4.966 -9.014 411 H ASN 66 H ASN 66 13.604 -2.656 -6.985 412 HA ASN 66 HA ASN 66 11.828 -0.405 -6.540 413 HB3 ASN 66 HB3 ASN 66 11.731 -0.964 -4.197 414 HD21 ASN 66 HD22 ASN 66 12.345 -3.955 -3.862 415 HD22 ASN 66 HD21 ASN 66 11.061 -4.747 -4.778 416 H ARG 67 H ARG 67 12.126 1.584 -5.505 417 HA ARG 67 HA ARG 67 14.900 2.508 -5.217 418 HB3 ARG 67 HB3 ARG 67 13.634 4.654 -4.502 419 HG3 ARG 67 HG3 ARG 67 13.401 3.438 -7.290 420 HD3 ARG 67 HD3 ARG 67 12.038 5.331 -7.501 421 HE ARG 67 HE ARG 67 13.872 6.678 -5.563 422 HH11 ARG 67 HH11 ARG 67 11.193 7.255 -7.807 423 HH12 ARG 67 HH12 ARG 67 10.558 8.568 -6.875 424 HH21 ARG 67 HH22 ARG 67 12.874 8.326 -4.253 425 HH22 ARG 67 HH21 ARG 67 11.443 9.127 -4.820 426 H GLY 68 H GLY 68 13.407 0.494 -3.273 427 HA2 GLY 68 HA2 GLY 68 14.344 -0.182 -1.247 428 HA3 GLY 68 HA3 GLY 68 14.983 1.433 -0.980 429 H PHE 69 H PHE 69 11.657 1.647 -1.811 430 HA PHE 69 HA PHE 69 10.600 1.303 0.877 431 HB3 PHE 69 HB3 PHE 69 11.561 3.643 0.735 432 HD1 PHE 69 HD1 PHE 69 12.334 4.247 -1.669 433 HD2 PHE 69 HD2 PHE 69 8.231 4.540 -0.378 434 HE1 PHE 69 HE1 PHE 69 11.838 5.810 -3.563 435 HE2 PHE 69 HE2 PHE 69 7.762 6.151 -2.204 436 HZ PHE 69 HZ PHE 69 9.577 6.787 -3.790 437 H ALA 70 H ALA 70 8.146 1.906 0.718 438 HA ALA 70 HA ALA 70 6.992 1.812 -1.952 439 HB1 ALA 70 HB1 ALA 70 6.535 -0.528 -0.043 440 HB2 ALA 70 HB2 ALA 70 5.495 -0.171 -1.433 441 HB3 ALA 70 HB3 ALA 70 7.195 -0.579 -1.683 442 H PHE 71 H PHE 71 4.371 1.785 -1.533 443 HA PHE 71 HA PHE 71 3.790 3.805 0.590 444 HB3 PHE 71 HB3 PHE 71 2.223 4.398 -1.621 445 HD1 PHE 71 HD2 PHE 71 2.639 5.877 0.665 446 HD2 PHE 71 HD1 PHE 71 4.937 5.941 -2.976 447 HE1 PHE 71 HE2 PHE 71 3.307 8.181 1.149 448 HE2 PHE 71 HE1 PHE 71 5.563 8.291 -2.530 449 HZ PHE 71 HZ PHE 71 4.733 9.445 -0.468 450 H ILE 72 H ILE 72 1.485 3.782 1.218 451 HA ILE 72 HA ILE 72 -0.232 1.833 -0.134 452 HB ILE 72 HB ILE 72 -0.248 1.828 2.883 453 HG13 ILE 72 HG13 ILE 72 2.015 1.107 2.388 454 HG21 ILE 72 HG21 ILE 72 -1.083 -0.216 0.765 455 HG22 ILE 72 HG22 ILE 72 -1.496 -0.254 2.484 456 HG23 ILE 72 HG23 ILE 72 -2.170 0.991 1.435 457 HD11 ILE 72 HD11 ILE 72 0.572 0.046 4.237 458 HD12 ILE 72 HD12 ILE 72 0.447 -1.357 3.153 459 HD13 ILE 72 HD13 ILE 72 2.026 -0.833 3.739 460 H GLN 73 H GLN 73 -2.084 2.804 -0.583 461 HA GLN 73 HA GLN 73 -3.165 5.168 0.787 462 HB3 GLN 73 HB3 GLN 73 -5.185 4.579 -0.652 463 HG3 GLN 73 HG3 GLN 73 -2.584 4.887 -2.175 464 HE21 GLN 73 HE22 GLN 73 -3.943 3.518 -3.915 465 HE22 GLN 73 HE21 GLN 73 -5.094 4.481 -4.815 466 H LEU 74 H LEU 74 -4.154 4.945 2.703 467 HA LEU 74 HA LEU 74 -6.013 2.747 3.207 468 HB3 LEU 74 HB3 LEU 74 -4.758 3.095 5.695 469 HG LEU 74 HG LEU 74 -3.992 0.814 5.596 470 HD11 LEU 74 HD11 LEU 74 -6.865 1.192 4.638 471 HD12 LEU 74 HD12 LEU 74 -6.244 1.254 6.304 472 HD13 LEU 74 HD13 LEU 74 -6.222 -0.264 5.412 473 HD21 LEU 74 HD21 LEU 74 -5.192 0.529 2.846 474 HD22 LEU 74 HD22 LEU 74 -4.285 -0.660 3.795 475 HD23 LEU 74 HD23 LEU 74 -3.458 0.776 3.169 476 H SER 75 H SER 75 -7.681 3.450 4.453 477 HA SER 75 HA SER 75 -8.278 6.135 4.653 478 HB3 SER 75 HB3 SER 75 -9.419 3.772 6.198 479 HG SER 75 HG SER 75 -10.665 5.354 6.866 480 H THR 76 H THR 76 -9.005 7.360 6.596 481 HA THR 76 HA THR 76 -6.943 8.235 8.048 482 HB THR 76 HB THR 76 -9.835 8.370 8.970 483 HG1 THR 76 HG1 THR 76 -8.457 9.609 6.812 484 HG21 THR 76 HG21 THR 76 -7.569 10.432 9.066 485 HG22 THR 76 HG22 THR 76 -8.237 9.535 10.454 486 HG23 THR 76 HG23 THR 76 -9.256 10.674 9.585 487 H ILE 77 H ILE 77 -9.399 6.066 9.606 488 HA ILE 77 HA ILE 77 -7.636 5.835 11.967 489 HB ILE 77 HB ILE 77 -10.324 4.638 11.284 490 HG13 ILE 77 HG13 ILE 77 -11.096 6.103 13.038 491 HG21 ILE 77 HG21 ILE 77 -10.420 3.948 13.685 492 HG22 ILE 77 HG22 ILE 77 -9.246 3.040 12.737 493 HG23 ILE 77 HG23 ILE 77 -8.689 4.322 13.834 494 HD11 ILE 77 HD11 ILE 77 -9.028 6.603 14.340 495 HD12 ILE 77 HD12 ILE 77 -8.444 7.582 12.973 496 HD13 ILE 77 HD13 ILE 77 -9.905 8.059 13.837 497 H GLU 78 H GLU 78 -8.640 3.996 9.137 498 HA GLU 78 HA GLU 78 -7.709 1.499 10.045 499 HB3 GLU 78 HB3 GLU 78 -7.919 0.723 7.768 500 HG3 GLU 78 HG3 GLU 78 -10.171 2.670 7.866 501 H ALA 79 H ALA 79 -6.065 4.031 8.537 502 HA ALA 79 HA ALA 79 -3.558 2.691 7.954 503 HB1 ALA 79 HB1 ALA 79 -4.140 5.644 8.445 504 HB2 ALA 79 HB2 ALA 79 -2.597 5.004 7.838 505 HB3 ALA 79 HB3 ALA 79 -4.082 4.866 6.871 506 H ALA 80 H ALA 80 -4.957 4.423 10.682 507 HA ALA 80 HA ALA 80 -2.571 4.457 12.238 508 HB1 ALA 80 HB1 ALA 80 -4.014 5.289 14.056 509 HB2 ALA 80 HB2 ALA 80 -4.315 6.171 12.548 510 HB3 ALA 80 HB3 ALA 80 -5.457 4.928 13.114 511 H GLN 81 H GLN 81 -5.560 2.490 12.411 512 HA GLN 81 HA GLN 81 -4.766 0.902 14.628 513 HB3 GLN 81 HB3 GLN 81 -7.111 1.237 13.700 514 HG3 GLN 81 HG3 GLN 81 -6.465 -1.231 12.069 515 HE21 GLN 81 HE22 GLN 81 -7.958 -1.598 10.314 516 HE22 GLN 81 HE21 GLN 81 -9.512 -0.852 10.095 517 H LEU 82 H LEU 82 -4.340 0.369 11.054 518 HA LEU 82 HA LEU 82 -3.316 -2.242 11.336 519 HB3 LEU 82 HB3 LEU 82 -2.108 -1.559 9.093 520 HG LEU 82 HG LEU 82 -5.129 -1.614 9.404 521 HD11 LEU 82 HD11 LEU 82 -4.523 -0.385 7.377 522 HD12 LEU 82 HD12 LEU 82 -5.251 -1.951 6.988 523 HD13 LEU 82 HD13 LEU 82 -3.487 -1.740 6.854 524 HD21 LEU 82 HD21 LEU 82 -4.808 -3.876 8.341 525 HD22 LEU 82 HD22 LEU 82 -4.090 -3.746 9.944 526 HD23 LEU 82 HD23 LEU 82 -3.055 -3.663 8.488 527 H LEU 83 H LEU 83 -1.709 0.960 11.657 528 HA LEU 83 HA LEU 83 0.889 0.093 11.321 529 HB3 LEU 83 HB3 LEU 83 0.094 2.109 13.410 530 HG LEU 83 HG LEU 83 2.580 1.594 12.818 531 HD11 LEU 83 HD11 LEU 83 2.371 1.460 10.379 532 HD12 LEU 83 HD12 LEU 83 3.347 2.873 10.789 533 HD13 LEU 83 HD13 LEU 83 1.660 3.088 10.299 534 HD21 LEU 83 HD21 LEU 83 1.872 3.571 14.048 535 HD22 LEU 83 HD22 LEU 83 1.436 4.398 12.550 536 HD23 LEU 83 HD23 LEU 83 3.143 4.012 12.906 537 H GLN 84 H GLN 84 -1.195 -0.134 14.216 538 HA GLN 84 HA GLN 84 0.980 -0.805 16.053 539 HB3 GLN 84 HB3 GLN 84 -1.102 -1.232 17.586 540 HG3 GLN 84 HG3 GLN 84 -0.364 1.423 16.334 541 HE21 GLN 84 HE22 GLN 84 -1.869 3.032 16.291 542 HE22 GLN 84 HE21 GLN 84 -3.232 3.133 17.421 543 H ILE 85 H ILE 85 -1.038 -2.531 13.859 544 HA ILE 85 HA ILE 85 -0.617 -5.161 15.099 545 HB ILE 85 HB ILE 85 -1.684 -4.427 12.367 546 HG13 ILE 85 HG13 ILE 85 -3.054 -3.451 14.303 547 HG21 ILE 85 HG21 ILE 85 -0.915 -6.796 12.616 548 HG22 ILE 85 HG22 ILE 85 -1.861 -6.972 14.101 549 HG23 ILE 85 HG23 ILE 85 -2.668 -6.783 12.543 550 HD11 ILE 85 HD11 ILE 85 -4.509 -5.691 12.918 551 HD12 ILE 85 HD12 ILE 85 -5.186 -4.207 13.610 552 HD13 ILE 85 HD13 ILE 85 -4.140 -4.120 12.181 553 H LEU 86 H LEU 86 0.517 -3.163 12.355 554 HA LEU 86 HA LEU 86 2.279 -5.034 11.179 555 HB3 LEU 86 HB3 LEU 86 3.475 -2.714 10.499 556 HG LEU 86 HG LEU 86 2.226 -4.361 9.013 557 HD11 LEU 86 HD11 LEU 86 -0.010 -2.349 9.492 558 HD12 LEU 86 HD12 LEU 86 -0.058 -4.056 9.970 559 HD13 LEU 86 HD13 LEU 86 -0.032 -3.618 8.265 560 HD21 LEU 86 HD21 LEU 86 2.041 -1.378 8.465 561 HD22 LEU 86 HD22 LEU 86 1.987 -2.667 7.233 562 HD23 LEU 86 HD23 LEU 86 3.461 -2.408 8.177 563 H GLN 87 H GLN 87 2.822 -2.815 13.860 564 HA GLN 87 HA GLN 87 5.637 -2.905 14.091 565 HB3 GLN 87 HB3 GLN 87 5.131 -2.541 16.572 566 HG3 GLN 87 HG3 GLN 87 3.793 -0.401 16.170 567 HE21 GLN 87 HE22 GLN 87 5.283 0.557 13.494 568 HE22 GLN 87 HE21 GLN 87 6.849 0.987 14.147 569 H ALA 88 H ALA 88 3.466 -5.579 14.360 570 HA ALA 88 HA ALA 88 5.329 -7.097 16.120 571 HB1 ALA 88 HB1 ALA 88 3.272 -6.091 17.177 572 HB2 ALA 88 HB2 ALA 88 2.284 -7.115 16.098 573 HB3 ALA 88 HB3 ALA 88 3.375 -7.843 17.301 574 H LEU 89 H LEU 89 4.777 -7.098 13.015 575 HA LEU 89 HA LEU 89 4.575 -10.040 12.818 576 HB3 LEU 89 HB3 LEU 89 2.322 -9.172 12.417 577 HG LEU 89 HG LEU 89 3.247 -7.049 10.985 578 HD11 LEU 89 HD11 LEU 89 2.700 -9.172 8.906 579 HD12 LEU 89 HD12 LEU 89 4.179 -8.197 9.099 580 HD13 LEU 89 HD13 LEU 89 2.684 -7.425 8.585 581 HD21 LEU 89 HD21 LEU 89 0.657 -8.545 10.413 582 HD22 LEU 89 HD22 LEU 89 0.955 -6.818 10.112 583 HD23 LEU 89 HD23 LEU 89 0.955 -7.438 11.769 584 H HIS 90 H HIS 90 5.068 -10.632 10.382 585 HA HIS 90 HA HIS 90 7.178 -8.894 9.260 586 HB3 HIS 90 HB3 HIS 90 8.325 -10.602 10.559 587 HD1 HIS 90 HD1 HIS 90 6.920 -13.017 7.827 588 HD2 HIS 90 HD2 HIS 90 7.488 -12.580 11.998 589 HE1 HIS 90 HE1 HIS 90 6.106 -15.164 8.895 590 HA PRO 91 HA PRO 91 4.951 -9.932 5.558 591 HB3 PRO 91 HB3 PRO 91 6.437 -8.533 4.415 592 HG3 PRO 91 HG3 PRO 91 8.825 -8.729 4.765 593 HD3 PRO 91 HD3 PRO 91 7.636 -8.079 6.756 594 HA PRO 92 HA PRO 92 5.518 -14.425 4.934 595 HB3 PRO 92 HB3 PRO 92 3.365 -14.455 4.043 596 HG3 PRO 92 HG3 PRO 92 2.604 -12.721 2.577 597 HD3 PRO 92 HD3 PRO 92 3.266 -11.711 4.605 598 H LEU 93 H LEU 93 6.954 -11.937 3.145 599 HA LEU 93 HA LEU 93 8.626 -13.656 1.404 600 HB3 LEU 93 HB3 LEU 93 8.271 -11.201 0.118 601 HG LEU 93 HG LEU 93 6.944 -13.872 -0.246 602 HD11 LEU 93 HD11 LEU 93 5.791 -13.019 -2.243 603 HD12 LEU 93 HD12 LEU 93 6.242 -11.357 -1.773 604 HD13 LEU 93 HD13 LEU 93 5.177 -12.335 -0.730 605 HD21 LEU 93 HD21 LEU 93 8.781 -12.073 -1.920 606 HD22 LEU 93 HD22 LEU 93 8.190 -13.667 -2.443 607 HD23 LEU 93 HD23 LEU 93 9.270 -13.532 -1.037 608 H THR 94 H THR 94 10.752 -13.139 1.599 609 HA THR 94 HA THR 94 11.618 -10.421 2.360 610 HB THR 94 HB THR 94 12.427 -12.976 3.801 611 HG1 THR 94 HG1 THR 94 10.754 -12.097 4.815 612 HG21 THR 94 HG21 THR 94 13.685 -10.217 3.948 613 HG22 THR 94 HG22 THR 94 14.482 -11.692 3.357 614 HG23 THR 94 HG23 THR 94 14.004 -11.588 5.048 615 H ILE 95 H ILE 95 13.957 -10.175 1.564 616 HA ILE 95 HA ILE 95 14.809 -12.274 -0.239 617 HB ILE 95 HB ILE 95 13.619 -10.477 -1.649 618 HG13 ILE 95 HG13 ILE 95 16.594 -10.885 -2.194 619 HG21 ILE 95 HG21 ILE 95 14.496 -8.496 -0.275 620 HG22 ILE 95 HG22 ILE 95 16.051 -8.750 -1.066 621 HG23 ILE 95 HG23 ILE 95 14.617 -8.350 -2.039 622 HD11 ILE 95 HD11 ILE 95 15.783 -12.620 -3.751 623 HD12 ILE 95 HD12 ILE 95 15.434 -13.040 -2.085 624 HD13 ILE 95 HD13 ILE 95 14.137 -12.384 -3.138 625 H ASP 96 H ASP 96 17.133 -12.284 -0.355 626 HA ASP 96 HA ASP 96 19.177 -12.184 0.590 627 HB3 ASP 96 HB3 ASP 96 20.151 -9.927 0.629 628 H GLY 97 H GLY 97 16.989 -12.456 2.576 629 HA2 GLY 97 HA2 GLY 97 16.672 -12.494 4.850 630 HA3 GLY 97 HA3 GLY 97 18.437 -12.329 4.996 631 H LYS 98 H LYS 98 16.283 -9.922 3.450 632 HA LYS 98 HA LYS 98 17.069 -7.766 5.287 633 HB3 LYS 98 HB3 LYS 98 15.339 -6.536 3.770 634 HG3 LYS 98 HG3 LYS 98 16.831 -7.103 1.609 635 HD3 LYS 98 HD3 LYS 98 18.670 -5.612 2.674 636 HE3 LYS 98 HE3 LYS 98 15.857 -4.528 2.939 637 HZ1 LYS 98 HZ1 LYS 98 18.343 -3.358 1.816 638 HZ2 LYS 98 HZ2 LYS 98 17.694 -2.944 3.249 639 HZ3 LYS 98 HZ3 LYS 98 16.875 -2.626 1.850 640 H THR 99 H THR 99 14.625 -6.402 5.595 641 HA THR 99 HA THR 99 12.483 -8.120 5.967 642 HB THR 99 HB THR 99 12.335 -6.804 8.482 643 HG1 THR 99 HG1 THR 99 14.091 -7.567 9.588 644 HG21 THR 99 HG21 THR 99 12.226 -9.123 9.348 645 HG22 THR 99 HG22 THR 99 12.808 -9.735 7.787 646 HG23 THR 99 HG23 THR 99 11.247 -8.914 7.880 647 H ILE 100 H ILE 100 10.661 -6.289 7.104 648 HA ILE 100 HA ILE 100 10.940 -3.929 5.287 649 HB ILE 100 HB ILE 100 8.399 -5.413 5.933 650 HG13 ILE 100 HG13 ILE 100 8.371 -6.403 3.740 651 HG21 ILE 100 HG21 ILE 100 7.448 -4.033 4.115 652 HG22 ILE 100 HG22 ILE 100 8.078 -3.052 5.435 653 HG23 ILE 100 HG23 ILE 100 9.013 -3.203 3.935 654 HD11 ILE 100 HD11 ILE 100 11.082 -5.064 3.259 655 HD12 ILE 100 HD12 ILE 100 10.456 -6.430 2.323 656 HD13 ILE 100 HD13 ILE 100 9.581 -4.907 2.307 657 H ASN 101 H ASN 101 10.822 -2.134 6.451 658 HA ASN 101 HA ASN 101 10.134 -2.179 9.346 659 HB3 ASN 101 HB3 ASN 101 10.786 0.403 8.835 660 HD21 ASN 101 HD22 ASN 101 12.242 0.934 10.463 661 HD22 ASN 101 HD21 ASN 101 13.413 -0.220 11.084 662 H VAL 102 H VAL 102 8.682 -0.693 10.165 663 HA VAL 102 HA VAL 102 6.284 -0.187 8.515 664 HB VAL 102 HB VAL 102 6.778 -0.073 11.537 665 HG11 VAL 102 HG11 VAL 102 4.199 -0.233 9.937 666 HG12 VAL 102 HG12 VAL 102 4.299 -0.426 11.699 667 HG13 VAL 102 HG13 VAL 102 4.769 1.107 10.962 668 HG21 VAL 102 HG21 VAL 102 5.675 -2.299 11.675 669 HG22 VAL 102 HG22 VAL 102 5.756 -2.426 9.900 670 HG23 VAL 102 HG23 VAL 102 7.234 -2.366 10.882 671 H GLU 103 H GLU 103 5.312 2.079 8.662 672 HA GLU 103 HA GLU 103 6.413 4.113 10.252 673 HB3 GLU 103 HB3 GLU 103 6.761 4.568 7.299 674 HG3 GLU 103 HG3 GLU 103 6.986 6.525 8.865 675 H PHE 104 H PHE 104 5.145 6.320 9.507 676 HA PHE 104 HA PHE 104 2.767 5.695 7.879 677 HB3 PHE 104 HB3 PHE 104 2.618 6.995 10.616 678 HD1 PHE 104 HD1 PHE 104 1.071 7.735 7.762 679 HD2 PHE 104 HD2 PHE 104 0.076 5.552 11.342 680 HE1 PHE 104 HE1 PHE 104 -1.256 8.277 7.434 681 HE2 PHE 104 HE2 PHE 104 -2.309 6.182 11.011 682 HZ PHE 104 HZ PHE 104 -2.989 7.541 9.071 683 H ALA 105 H ALA 105 3.346 6.948 6.248 684 HA ALA 105 HA ALA 105 4.601 9.559 6.410 685 HB1 ALA 105 HB1 ALA 105 5.113 8.139 4.536 686 HB2 ALA 105 HB2 ALA 105 3.381 7.995 4.104 687 HB3 ALA 105 HB3 ALA 105 4.237 9.542 3.933 688 H LYS 106 H LYS 106 2.444 9.856 8.000 689 HA LYS 106 HA LYS 106 0.043 10.812 6.737 690 HB3 LYS 106 HB3 LYS 106 0.948 11.617 9.475 691 HG3 LYS 106 HG3 LYS 106 -1.590 10.463 8.268 692 HD3 LYS 106 HD3 LYS 106 -1.467 11.983 10.848 693 HE3 LYS 106 HE3 LYS 106 -3.090 10.152 11.569 694 HZ1 LYS 106 HZ1 LYS 106 -4.136 12.148 10.798 695 HZ2 LYS 106 HZ2 LYS 106 -4.957 10.825 10.344 696 HZ3 LYS 106 HZ3 LYS 106 -4.068 11.623 9.211 697 H GLY 107 H GLY 107 -0.545 12.910 6.288 698 HA2 GLY 107 HA2 GLY 107 1.373 14.710 5.437 699 HA3 GLY 107 HA3 GLY 107 -0.381 14.956 5.543 700 H SER 108 H SER 108 0.361 17.136 5.789 701 HA SER 108 HA SER 108 2.058 18.229 7.518 702 HB3 SER 108 HB3 SER 108 0.996 20.316 7.192 703 HG SER 108 HG SER 108 0.127 18.958 4.912 704 H LYS 109 H LYS 109 2.394 17.992 9.584 705 HA LYS 109 HA LYS 109 0.502 17.344 11.591 706 HB3 LYS 109 HB3 LYS 109 3.157 18.803 11.934 707 HG3 LYS 109 HG3 LYS 109 1.729 16.683 13.553 708 HD3 LYS 109 HD3 LYS 109 4.317 18.120 14.316 709 HE3 LYS 109 HE3 LYS 109 4.433 16.108 15.896 710 HZ1 LYS 109 HZ1 LYS 109 2.335 18.140 16.216 711 HZ2 LYS 109 HZ2 LYS 109 3.713 17.857 17.084 712 HZ3 LYS 109 HZ3 LYS 109 2.423 16.891 17.276 713 H ARG 110 H ARG 110 -0.865 18.649 12.860 714 HA ARG 110 HA ARG 110 -0.549 21.482 13.152 715 HB3 ARG 110 HB3 ARG 110 -1.490 21.613 10.962 716 HG3 ARG 110 HG3 ARG 110 -3.914 19.950 11.782 717 HD3 ARG 110 HD3 ARG 110 -2.848 21.101 9.174 718 HE ARG 110 HE ARG 110 -4.780 18.903 9.555 719 HH11 ARG 110 HH11 ARG 110 -4.029 21.628 7.417 720 HH12 ARG 110 HH12 ARG 110 -4.563 20.764 5.979 721 HH21 ARG 110 HH22 ARG 110 -5.256 17.735 7.537 722 HH22 ARG 110 HH21 ARG 110 -5.396 18.740 6.114 723 H ASP 111 H ASP 111 -1.506 21.995 15.140 724 HA ASP 111 HA ASP 111 -3.403 20.046 16.318 725 HB3 ASP 111 HB3 ASP 111 -1.048 20.133 17.344 726 H MET 112 H MET 112 -4.501 21.448 18.339 727 HA MET 112 HA MET 112 -5.282 24.099 17.390 728 HB3 MET 112 HB3 MET 112 -7.698 22.454 17.716 729 HG3 MET 112 HG3 MET 112 -6.520 24.017 15.383 730 HE1 MET 112 HE1 MET 112 -9.013 25.655 14.685 731 HE2 MET 112 HE2 MET 112 -8.001 24.902 13.442 732 HE3 MET 112 HE3 MET 112 -9.774 24.707 13.389 733 H ALA 113 H ALA 113 -7.110 24.955 18.866 734 HA ALA 113 HA ALA 113 -6.925 23.928 21.652 735 HB1 ALA 113 HB1 ALA 113 -6.691 26.220 22.395 736 HB2 ALA 113 HB2 ALA 113 -5.367 25.812 21.283 737 HB3 ALA 113 HB3 ALA 113 -6.711 26.822 20.721 738 H SER 114 H SER 114 -9.044 23.122 21.719 739 HA SER 114 HA SER 114 -11.005 24.697 22.735 740 HB3 SER 114 HB3 SER 114 -11.533 24.071 19.824 741 HG SER 114 HG SER 114 -13.327 24.247 21.727 742 H ASN 115 H ASN 115 -10.463 22.653 24.030 743 HA ASN 115 HA ASN 115 -12.176 20.386 23.144 744 HB3 ASN 115 HB3 ASN 115 -9.270 19.971 23.943 745 HD21 ASN 115 HD22 ASN 115 -8.586 17.838 22.662 746 HD22 ASN 115 HD21 ASN 115 -9.781 16.540 22.738 747 H GLU 116 H GLU 116 -13.596 20.224 24.849 748 HA GLU 116 HA GLU 116 -12.689 19.664 27.508 749 HB3 GLU 116 HB3 GLU 116 -12.632 22.222 27.355 750 HG3 GLU 116 HG3 GLU 116 -15.641 22.206 27.565 751 H GLY 117 H GLY 117 -14.802 19.183 28.859 752 HA2 GLY 117 HA2 GLY 117 -17.388 19.196 27.691 753 HA3 GLY 117 HA3 GLY 117 -16.623 17.670 27.267 754 H SER 118 H SER 118 -15.438 18.407 30.373 755 HA SER 118 HA SER 118 -16.790 16.201 31.455 756 HB3 SER 118 HB3 SER 118 -15.270 16.451 33.206 757 HG SER 118 HG SER 118 -14.075 16.428 31.247 758 H ARG 119 H ARG 119 -19.138 16.630 31.528 759 HA ARG 119 HA ARG 119 -19.887 18.248 33.881 760 HB3 ARG 119 HB3 ARG 119 -21.178 18.797 31.169 761 HG3 ARG 119 HG3 ARG 119 -21.697 20.987 32.347 762 HD3 ARG 119 HD3 ARG 119 -23.074 18.688 33.774 763 HE ARG 119 HE ARG 119 -24.191 20.532 34.488 764 HH11 ARG 119 HH11 ARG 119 -23.773 20.785 30.990 765 HH12 ARG 119 HH12 ARG 119 -24.819 22.136 30.769 766 HH21 ARG 119 HH22 ARG 119 -25.622 22.352 34.253 767 HH22 ARG 119 HH21 ARG 119 -25.912 23.045 32.703 768 H ILE 120 H ILE 120 -20.360 16.188 34.803 769 HA ILE 120 HA ILE 120 -23.071 15.250 34.085 770 HB ILE 120 HB ILE 120 -20.729 13.444 34.841 771 HG13 ILE 120 HG13 ILE 120 -20.692 14.127 32.456 772 HG21 ILE 120 HG21 ILE 120 -23.658 12.711 34.351 773 HG22 ILE 120 HG22 ILE 120 -22.337 11.564 34.659 774 HG23 ILE 120 HG23 ILE 120 -22.816 12.666 35.920 775 HD11 ILE 120 HD11 ILE 120 -20.602 12.031 31.372 776 HD12 ILE 120 HD12 ILE 120 -20.053 11.771 33.043 777 HD13 ILE 120 HD13 ILE 120 -21.687 11.268 32.539 778 H SER 121 H SER 121 -24.309 14.744 36.012 779 HA SER 121 HA SER 121 -23.179 14.368 38.506 780 HB3 SER 121 HB3 SER 121 -24.814 16.940 38.383 781 HG SER 121 HG SER 121 -24.074 17.086 40.517 782 H ALA 122 H ALA 122 -25.376 14.644 40.059 783 HA ALA 122 HA ALA 122 -27.784 13.737 38.612 784 HB1 ALA 122 HB1 ALA 122 -26.816 11.715 39.692 785 HB2 ALA 122 HB2 ALA 122 -26.810 12.558 41.257 786 HB3 ALA 122 HB3 ALA 122 -28.346 12.185 40.449 787 H ALA 123 H ALA 123 -29.673 14.022 40.380 788 HA ALA 123 HA ALA 123 -29.204 16.416 42.071 789 HB1 ALA 123 HB1 ALA 123 -31.110 17.608 41.087 790 HB2 ALA 123 HB2 ALA 123 -29.861 17.312 39.864 791 HB3 ALA 123 HB3 ALA 123 -31.339 16.314 39.893 792 H SER 124 H SER 124 -31.069 13.459 41.435 793 HA SER 124 HA SER 124 -32.033 13.427 44.112 794 HB3 SER 124 HB3 SER 124 -34.455 13.140 43.405 795 HG SER 124 HG SER 124 -33.046 15.526 43.406 796 H VAL 125 H VAL 125 -33.430 11.228 44.255 797 HA VAL 125 HA VAL 125 -33.018 9.339 42.168 798 HB VAL 125 HB VAL 125 -30.833 9.273 43.361 799 HG11 VAL 125 HG11 VAL 125 -32.390 8.395 45.827 800 HG12 VAL 125 HG12 VAL 125 -30.627 8.425 45.643 801 HG13 VAL 125 HG13 VAL 125 -31.536 9.941 45.633 802 HG21 VAL 125 HG21 VAL 125 -30.641 6.915 43.632 803 HG22 VAL 125 HG22 VAL 125 -32.375 6.716 43.902 804 HG23 VAL 125 HG23 VAL 125 -31.767 7.220 42.302 805 H ALA 126 H ALA 126 -34.250 7.286 42.938 806 HA ALA 126 HA ALA 126 -36.005 7.661 45.232 807 HB1 ALA 126 HB1 ALA 126 -37.072 6.950 42.456 808 HB2 ALA 126 HB2 ALA 126 -37.999 6.889 43.969 809 HB3 ALA 126 HB3 ALA 126 -37.420 8.449 43.351 810 H SER 127 H SER 127 -36.541 5.594 46.121 811 HA SER 127 HA SER 127 -35.535 3.151 44.807 812 HB3 SER 127 HB3 SER 127 -34.011 2.605 46.578 813 HG SER 127 HG SER 127 -33.490 4.418 44.963 814 H THR 128 H THR 128 -38.203 4.300 45.870 815 HA THR 128 HA THR 128 -38.853 2.346 47.982 816 HB THR 128 HB THR 128 -39.702 4.711 48.078 817 HG1 THR 128 HG1 THR 128 -41.999 3.780 48.332 818 HG21 THR 128 HG21 THR 128 -41.618 5.382 46.745 819 HG22 THR 128 HG22 THR 128 -41.573 3.866 45.820 820 HG23 THR 128 HG23 THR 128 -40.255 5.047 45.669 821 H ALA 129 H ALA 129 -41.124 1.291 47.402 822 HA ALA 129 HA ALA 129 -41.269 0.272 44.668 823 HB1 ALA 129 HB1 ALA 129 -41.345 -2.075 45.407 824 HB2 ALA 129 HB2 ALA 129 -39.797 -1.355 45.869 825 HB3 ALA 129 HB3 ALA 129 -41.073 -1.582 47.090 826 H ILE 130 H ILE 130 -43.304 -1.598 45.213 827 HA ILE 130 HA ILE 130 -45.367 -0.287 46.783 828 HB ILE 130 HB ILE 130 -47.075 -0.675 45.086 829 HG13 ILE 130 HG13 ILE 130 -45.855 -2.516 43.843 830 HG21 ILE 130 HG21 ILE 130 -46.647 1.245 43.695 831 HG22 ILE 130 HG22 ILE 130 -45.926 1.544 45.281 832 HG23 ILE 130 HG23 ILE 130 -44.890 1.090 43.913 833 HD11 ILE 130 HD11 ILE 130 -46.753 -2.050 41.665 834 HD12 ILE 130 HD12 ILE 130 -47.899 -1.479 42.891 835 HD13 ILE 130 HD13 ILE 130 -46.875 -0.319 42.009 836 H ALA 131 H ALA 131 -47.334 -2.114 46.575 837 HA ALA 131 HA ALA 131 -46.402 -4.780 46.342 838 HB1 ALA 131 HB1 ALA 131 -47.982 -3.819 48.777 839 HB2 ALA 131 HB2 ALA 131 -47.699 -5.504 48.319 840 HB3 ALA 131 HB3 ALA 131 -46.328 -4.494 48.825 Start of MODEL 15 1 H1 GLN 1 H1 GLN 1 12.708 66.179 35.023 2 HA GLN 1 HA GLN 1 10.401 66.088 34.297 3 HB3 GLN 1 HB3 GLN 1 9.376 67.174 36.159 4 HG3 GLN 1 HG3 GLN 1 10.492 69.861 35.242 5 HE21 GLN 1 HE22 GLN 1 10.333 70.762 38.152 6 HE22 GLN 1 HE21 GLN 1 8.601 70.916 38.390 7 H ALA 2 H ALA 2 10.182 66.601 32.117 8 HA ALA 2 HA ALA 2 10.566 68.841 30.754 9 HB1 ALA 2 HB1 ALA 2 12.942 69.055 31.119 10 HB2 ALA 2 HB2 ALA 2 13.232 67.331 30.786 11 HB3 ALA 2 HB3 ALA 2 12.724 68.436 29.488 12 H GLN 3 H GLN 3 12.273 65.970 29.699 13 HA GLN 3 HA GLN 3 11.847 64.243 28.344 14 HB3 GLN 3 HB3 GLN 3 9.715 63.336 27.826 15 HG3 GLN 3 HG3 GLN 3 9.469 64.346 30.690 16 HE21 GLN 3 HE22 GLN 3 7.075 63.870 29.215 17 HE22 GLN 3 HE21 GLN 3 6.467 62.311 29.759 18 H GLY 4 H GLY 4 10.270 64.160 25.986 19 HA2 GLY 4 HA2 GLY 4 10.223 66.631 24.612 20 HA3 GLY 4 HA3 GLY 4 11.720 65.752 24.224 21 H VAL 5 H VAL 5 11.526 64.232 22.564 22 HA VAL 5 HA VAL 5 9.018 62.759 22.262 23 HB VAL 5 HB VAL 5 8.879 64.667 20.718 24 HG11 VAL 5 HG11 VAL 5 11.435 63.625 19.424 25 HG12 VAL 5 HG12 VAL 5 10.391 64.915 18.797 26 HG13 VAL 5 HG13 VAL 5 11.258 65.151 20.317 27 HG21 VAL 5 HG21 VAL 5 9.363 62.098 19.162 28 HG22 VAL 5 HG22 VAL 5 7.885 62.489 20.074 29 HG23 VAL 5 HG23 VAL 5 8.362 63.479 18.689 30 H LEU 6 H LEU 6 9.443 60.702 21.105 31 HA LEU 6 HA LEU 6 12.219 59.863 20.817 32 HB3 LEU 6 HB3 LEU 6 11.770 57.749 22.003 33 HG LEU 6 HG LEU 6 12.679 59.942 23.283 34 HD11 LEU 6 HD11 LEU 6 10.184 59.173 24.875 35 HD12 LEU 6 HD12 LEU 6 10.427 60.719 24.044 36 HD13 LEU 6 HD13 LEU 6 11.468 60.282 25.399 37 HD21 LEU 6 HD21 LEU 6 13.389 57.630 23.708 38 HD22 LEU 6 HD22 LEU 6 11.906 57.327 24.644 39 HD23 LEU 6 HD23 LEU 6 13.117 58.490 25.227 40 H ALA 7 H ALA 7 12.155 57.677 19.584 41 HA ALA 7 HA ALA 7 9.644 56.928 18.373 42 HB1 ALA 7 HB1 ALA 7 10.362 58.765 16.848 43 HB2 ALA 7 HB2 ALA 7 11.937 57.966 16.630 44 HB3 ALA 7 HB3 ALA 7 10.450 57.191 16.041 45 H SER 8 H SER 8 10.191 54.990 16.781 46 HA SER 8 HA SER 8 12.595 53.527 17.309 47 HB3 SER 8 HB3 SER 8 11.411 53.091 19.387 48 HG SER 8 HG SER 8 9.314 53.395 18.989 49 H GLN 9 H GLN 9 11.916 51.070 16.316 50 HA GLN 9 HA GLN 9 9.733 50.819 14.679 51 HB3 GLN 9 HB3 GLN 9 10.582 52.161 12.963 52 HG3 GLN 9 HG3 GLN 9 13.149 50.850 12.369 53 HE21 GLN 9 HE22 GLN 9 11.668 53.990 13.554 54 HE22 GLN 9 HE21 GLN 9 12.444 54.924 12.270 55 H ALA 10 H ALA 10 10.010 48.631 13.403 56 HA ALA 10 HA ALA 10 12.121 46.879 14.190 57 HB1 ALA 10 HB1 ALA 10 9.285 46.343 15.224 58 HB2 ALA 10 HB2 ALA 10 10.654 45.214 15.315 59 HB3 ALA 10 HB3 ALA 10 10.698 46.722 16.239 60 H LEU 11 H LEU 11 11.293 44.544 13.253 61 HA LEU 11 HA LEU 11 9.366 44.799 11.099 62 HB3 LEU 11 HB3 LEU 11 11.528 45.295 10.040 63 HG LEU 11 HG LEU 11 12.854 43.557 11.604 64 HD11 LEU 11 HD11 LEU 11 13.458 41.507 10.335 65 HD12 LEU 11 HD12 LEU 11 12.214 41.876 9.132 66 HD13 LEU 11 HD13 LEU 11 11.767 41.475 10.806 67 HD21 LEU 11 HD21 LEU 11 14.661 43.559 9.933 68 HD22 LEU 11 HD22 LEU 11 13.868 45.137 10.033 69 HD23 LEU 11 HD23 LEU 11 13.508 44.047 8.671 70 H SER 12 H SER 12 8.732 42.552 10.366 71 HA SER 12 HA SER 12 9.323 40.404 12.309 72 HB3 SER 12 HB3 SER 12 7.448 41.493 13.310 73 HG SER 12 HG SER 12 6.231 41.413 10.747 74 H GLN 13 H GLN 13 10.060 38.828 10.975 75 HA GLN 13 HA GLN 13 8.288 37.813 8.928 76 HB3 GLN 13 HB3 GLN 13 10.360 37.194 7.539 77 HG3 GLN 13 HG3 GLN 13 8.604 39.119 7.021 78 HE21 GLN 13 HE22 GLN 13 8.471 41.191 8.031 79 HE22 GLN 13 HE21 GLN 13 9.701 42.432 7.702 80 H GLY 14 H GLY 14 9.276 35.457 8.422 81 HA2 GLY 14 HA2 GLY 14 10.855 34.166 10.371 82 HA3 GLY 14 HA3 GLY 14 9.130 33.943 10.761 83 H SER 15 H SER 15 8.346 32.026 9.834 84 HA SER 15 HA SER 15 8.369 31.784 7.005 85 HB3 SER 15 HB3 SER 15 9.127 29.337 7.159 86 HG SER 15 HG SER 15 10.696 31.619 7.302 87 H GLU 16 H GLU 16 6.632 30.423 6.429 88 HA GLU 16 HA GLU 16 4.649 29.695 8.516 89 HB3 GLU 16 HB3 GLU 16 4.358 31.871 6.407 90 HG3 GLU 16 HG3 GLU 16 2.366 30.623 8.305 91 HA PRO 17 HA PRO 17 4.697 26.869 4.809 92 HB3 PRO 17 HB3 PRO 17 6.022 25.351 6.018 93 HG3 PRO 17 HG3 PRO 17 5.840 25.136 8.354 94 HD3 PRO 17 HD3 PRO 17 6.292 27.417 7.970 95 H SER 18 H SER 18 2.476 27.435 7.374 96 HA SER 18 HA SER 18 0.508 26.776 8.040 97 HB3 SER 18 HB3 SER 18 -0.926 26.211 5.612 98 HG SER 18 HG SER 18 -1.084 28.726 6.704 99 H SER 19 H SER 19 0.605 24.503 5.192 100 HA SER 19 HA SER 19 0.860 22.252 7.048 101 HB3 SER 19 HB3 SER 19 -1.674 22.529 5.379 102 HG SER 19 HG SER 19 -1.782 20.550 5.936 103 H GLU 20 H GLU 20 2.666 21.576 5.933 104 HA GLU 20 HA GLU 20 2.810 21.254 3.042 105 HB3 GLU 20 HB3 GLU 20 4.824 19.866 3.609 106 HG3 GLU 20 HG3 GLU 20 6.167 21.518 4.925 107 H ASN 21 H ASN 21 0.786 20.201 2.700 108 HA ASN 21 HA ASN 21 -0.665 18.470 2.423 109 HB3 ASN 21 HB3 ASN 21 1.979 17.223 1.709 110 HD21 ASN 21 HD22 ASN 21 1.906 15.241 0.597 111 HD22 ASN 21 HD21 ASN 21 0.534 14.156 0.834 112 H ALA 22 H ALA 22 -1.448 18.312 4.622 113 HA ALA 22 HA ALA 22 -0.614 15.906 6.127 114 HB1 ALA 22 HB1 ALA 22 -2.945 17.834 6.537 115 HB2 ALA 22 HB2 ALA 22 -2.490 16.506 7.615 116 HB3 ALA 22 HB3 ALA 22 -1.391 17.891 7.409 117 H ASN 23 H ASN 23 -1.284 13.975 5.493 118 HA ASN 23 HA ASN 23 -4.087 13.573 4.852 119 HB3 ASN 23 HB3 ASN 23 -1.844 12.553 3.093 120 HD21 ASN 23 HD22 ASN 23 -5.423 12.385 3.832 121 HD22 ASN 23 HD21 ASN 23 -5.697 11.039 2.774 122 H ASP 24 H ASP 24 -3.797 10.716 4.466 123 HA ASP 24 HA ASP 24 -2.394 9.729 6.879 124 HB3 ASP 24 HB3 ASP 24 -4.151 8.183 7.262 125 H THR 25 H THR 25 -0.658 8.624 5.709 126 HA THR 25 HA THR 25 -1.591 6.476 3.989 127 HB THR 25 HB THR 25 0.480 8.426 2.904 128 HG1 THR 25 HG1 THR 25 -2.256 8.493 2.838 129 HG21 THR 25 HG21 THR 25 -1.125 6.207 1.555 130 HG22 THR 25 HG22 THR 25 0.571 6.067 2.048 131 HG23 THR 25 HG23 THR 25 0.123 7.226 0.795 132 H ILE 26 H ILE 26 -0.200 4.741 4.073 133 HA ILE 26 HA ILE 26 1.967 4.818 6.079 134 HB ILE 26 HB ILE 26 0.441 2.638 4.650 135 HG13 ILE 26 HG13 ILE 26 -0.471 3.850 6.650 136 HG21 ILE 26 HG21 ILE 26 1.777 0.951 6.007 137 HG22 ILE 26 HG22 ILE 26 2.686 1.711 4.706 138 HG23 ILE 26 HG23 ILE 26 2.910 2.250 6.379 139 HD11 ILE 26 HD11 ILE 26 -0.083 0.911 7.201 140 HD12 ILE 26 HD12 ILE 26 -1.369 1.986 7.774 141 HD13 ILE 26 HD13 ILE 26 -1.260 1.601 6.035 142 H ILE 27 H ILE 27 3.962 3.782 5.492 143 HA ILE 27 HA ILE 27 4.756 3.931 2.698 144 HB ILE 27 HB ILE 27 5.088 6.208 3.736 145 HG13 ILE 27 HG13 ILE 27 7.337 4.683 2.414 146 HG21 ILE 27 HG21 ILE 27 5.787 5.477 5.990 147 HG22 ILE 27 HG22 ILE 27 7.353 4.955 5.305 148 HG23 ILE 27 HG23 ILE 27 6.865 6.656 5.238 149 HD11 ILE 27 HD11 ILE 27 5.766 7.171 1.655 150 HD12 ILE 27 HD12 ILE 27 6.782 6.192 0.587 151 HD13 ILE 27 HD13 ILE 27 5.260 5.529 1.195 152 H LEU 28 H LEU 28 6.167 2.330 2.263 153 HA LEU 28 HA LEU 28 6.992 0.487 4.460 154 HB3 LEU 28 HB3 LEU 28 7.910 -0.850 2.610 155 HG LEU 28 HG LEU 28 6.057 -1.796 1.613 156 HD11 LEU 28 HD11 LEU 28 6.169 -1.892 4.146 157 HD12 LEU 28 HD12 LEU 28 4.580 -2.208 3.451 158 HD13 LEU 28 HD13 LEU 28 4.925 -0.624 4.169 159 HD21 LEU 28 HD21 LEU 28 4.317 0.631 2.199 160 HD22 LEU 28 HD22 LEU 28 3.853 -0.862 1.360 161 HD23 LEU 28 HD23 LEU 28 5.001 0.240 0.619 162 H ARG 29 H ARG 29 9.254 0.135 4.843 163 HA ARG 29 HA ARG 29 11.185 1.597 3.226 164 HB3 ARG 29 HB3 ARG 29 12.410 2.557 5.037 165 HG3 ARG 29 HG3 ARG 29 9.521 3.186 5.713 166 HD3 ARG 29 HD3 ARG 29 11.029 4.382 7.165 167 HE ARG 29 HE ARG 29 12.611 4.837 4.768 168 HH11 ARG 29 HH11 ARG 29 11.554 6.611 7.704 169 HH12 ARG 29 HH12 ARG 29 13.065 7.439 7.878 170 HH21 ARG 29 HH22 ARG 29 14.679 5.790 5.185 171 HH22 ARG 29 HH21 ARG 29 14.891 6.973 6.426 172 H ASN 30 H ASN 30 13.459 0.740 4.042 173 HA ASN 30 HA ASN 30 14.835 -0.994 3.889 174 HB3 ASN 30 HB3 ASN 30 13.206 -2.438 5.976 175 HD21 ASN 30 HD22 ASN 30 14.159 -4.470 5.413 176 HD22 ASN 30 HD21 ASN 30 15.917 -4.708 5.389 177 H LEU 31 H LEU 31 13.847 -1.058 1.723 178 HA LEU 31 HA LEU 31 12.661 -3.729 1.157 179 HB3 LEU 31 HB3 LEU 31 11.604 -2.620 -0.855 180 HG LEU 31 HG LEU 31 10.645 -1.521 1.839 181 HD11 LEU 31 HD11 LEU 31 9.332 -1.848 -0.866 182 HD12 LEU 31 HD12 LEU 31 9.532 -0.363 0.101 183 HD13 LEU 31 HD13 LEU 31 8.434 -1.653 0.640 184 HD21 LEU 31 HD21 LEU 31 10.686 -3.882 2.075 185 HD22 LEU 31 HD22 LEU 31 10.152 -4.133 0.383 186 HD23 LEU 31 HD23 LEU 31 9.032 -3.527 1.606 187 H ASN 32 H ASN 32 13.428 -4.764 -0.890 188 HA ASN 32 HA ASN 32 16.230 -3.835 -1.373 189 HB3 ASN 32 HB3 ASN 32 16.053 -6.290 -2.527 190 HD21 ASN 32 HD22 ASN 32 17.802 -7.511 -1.763 191 HD22 ASN 32 HD21 ASN 32 18.681 -6.990 -0.338 192 HA PRO 33 HA PRO 33 14.982 -2.609 -5.400 193 HB3 PRO 33 HB3 PRO 33 16.996 -2.153 -6.271 194 HG3 PRO 33 HG3 PRO 33 18.816 -2.933 -5.093 195 HD3 PRO 33 HD3 PRO 33 17.626 -3.032 -3.153 196 H HIS 34 H HIS 34 15.570 -6.024 -4.822 197 HA HIS 34 HA HIS 34 13.845 -6.855 -7.073 198 HB3 HIS 34 HB3 HIS 34 14.755 -9.116 -6.412 199 HD1 HIS 34 HD1 HIS 34 15.889 -9.369 -8.686 200 HD2 HIS 34 HD2 HIS 34 17.611 -6.444 -6.188 201 HE1 HIS 34 HE1 HIS 34 17.885 -8.408 -9.980 202 H SER 35 H SER 35 13.031 -5.945 -3.858 203 HA SER 35 HA SER 35 11.873 -8.453 -3.099 204 HB3 SER 35 HB3 SER 35 12.779 -7.126 -1.416 205 HG SER 35 HG SER 35 10.854 -5.159 -2.057 206 H THR 36 H THR 36 9.576 -8.598 -2.599 207 HA THR 36 HA THR 36 7.966 -7.367 -4.795 208 HB THR 36 HB THR 36 6.586 -9.551 -4.529 209 HG1 THR 36 HG1 THR 36 9.091 -10.611 -3.742 210 HG21 THR 36 HG21 THR 36 9.329 -9.423 -5.849 211 HG22 THR 36 HG22 THR 36 7.754 -8.887 -6.498 212 HG23 THR 36 HG23 THR 36 8.057 -10.616 -6.213 213 H MET 37 H MET 37 5.777 -6.985 -4.554 214 HA MET 37 HA MET 37 5.082 -5.723 -2.159 215 HB3 MET 37 HB3 MET 37 4.387 -5.244 -4.525 216 HG3 MET 37 HG3 MET 37 2.187 -7.296 -4.050 217 HE1 MET 37 HE1 MET 37 0.838 -4.148 -6.263 218 HE2 MET 37 HE2 MET 37 0.651 -5.051 -4.737 219 HE3 MET 37 HE3 MET 37 2.077 -4.013 -5.002 220 H ASP 38 H ASP 38 4.841 -8.998 -3.130 221 HA ASP 38 HA ASP 38 2.518 -9.878 -1.958 222 HB3 ASP 38 HB3 ASP 38 3.961 -12.071 -1.585 223 H SER 39 H SER 39 5.694 -9.215 -0.454 224 HA SER 39 HA SER 39 5.281 -10.222 2.115 225 HB3 SER 39 HB3 SER 39 7.434 -9.374 1.610 226 HG SER 39 HG SER 39 6.900 -7.808 0.040 227 H ILE 40 H ILE 40 4.364 -6.996 0.931 228 HA ILE 40 HA ILE 40 3.087 -6.235 3.335 229 HB ILE 40 HB ILE 40 2.576 -5.157 0.540 230 HG13 ILE 40 HG13 ILE 40 4.902 -4.670 2.401 231 HG21 ILE 40 HG21 ILE 40 0.977 -4.421 2.342 232 HG22 ILE 40 HG22 ILE 40 2.343 -3.709 3.204 233 HG23 ILE 40 HG23 ILE 40 1.881 -3.113 1.593 234 HD11 ILE 40 HD11 ILE 40 6.063 -4.161 0.273 235 HD12 ILE 40 HD12 ILE 40 5.270 -5.740 0.150 236 HD13 ILE 40 HD13 ILE 40 4.521 -4.332 -0.603 237 H LEU 41 H LEU 41 1.771 -7.430 0.200 238 HA LEU 41 HA LEU 41 -0.959 -7.264 0.914 239 HB3 LEU 41 HB3 LEU 41 -1.246 -9.176 -0.775 240 HG LEU 41 HG LEU 41 0.204 -6.664 -1.668 241 HD11 LEU 41 HD11 LEU 41 -1.506 -8.618 -3.259 242 HD12 LEU 41 HD12 LEU 41 0.262 -8.525 -3.334 243 HD13 LEU 41 HD13 LEU 41 -0.705 -7.145 -3.884 244 HD21 LEU 41 HD21 LEU 41 -2.774 -7.352 -1.491 245 HD22 LEU 41 HD22 LEU 41 -2.120 -5.928 -2.319 246 HD23 LEU 41 HD23 LEU 41 -1.933 -6.094 -0.580 247 H GLY 42 H GLY 42 1.169 -10.163 1.091 248 HA2 GLY 42 HA2 GLY 42 -0.850 -11.708 2.432 249 HA3 GLY 42 HA3 GLY 42 0.854 -12.141 2.248 250 H ALA 43 H ALA 43 1.208 -9.229 3.698 251 HA ALA 43 HA ALA 43 1.274 -10.323 6.427 252 HB1 ALA 43 HB1 ALA 43 2.074 -7.671 5.181 253 HB2 ALA 43 HB2 ALA 43 1.919 -7.871 6.929 254 HB3 ALA 43 HB3 ALA 43 3.085 -8.839 6.020 255 H LEU 44 H LEU 44 -0.451 -7.691 4.640 256 HA LEU 44 HA LEU 44 -2.215 -7.399 7.013 257 HB3 LEU 44 HB3 LEU 44 -2.780 -5.199 6.005 258 HG LEU 44 HG LEU 44 -1.086 -4.029 6.830 259 HD11 LEU 44 HD11 LEU 44 -0.131 -6.753 7.830 260 HD12 LEU 44 HD12 LEU 44 -1.431 -5.760 8.547 261 HD13 LEU 44 HD13 LEU 44 0.248 -5.207 8.531 262 HD21 LEU 44 HD21 LEU 44 0.423 -4.284 4.972 263 HD22 LEU 44 HD22 LEU 44 0.933 -5.875 5.557 264 HD23 LEU 44 HD23 LEU 44 1.315 -4.418 6.499 265 H ALA 45 H ALA 45 -2.477 -8.985 4.089 266 HA ALA 45 HA ALA 45 -4.923 -8.478 3.049 267 HB1 ALA 45 HB1 ALA 45 -3.626 -10.196 2.095 268 HB2 ALA 45 HB2 ALA 45 -3.537 -11.121 3.582 269 HB3 ALA 45 HB3 ALA 45 -5.057 -11.014 2.680 270 HA PRO 46 HA PRO 46 -7.579 -10.402 6.331 271 HB3 PRO 46 HB3 PRO 46 -6.503 -12.361 7.177 272 HG3 PRO 46 HG3 PRO 46 -4.250 -12.289 7.938 273 HD3 PRO 46 HD3 PRO 46 -4.195 -11.584 5.702 274 H TYR 47 H TYR 47 -5.258 -8.095 7.227 275 HA TYR 47 HA TYR 47 -6.792 -7.141 9.575 276 HB3 TYR 47 HB3 TYR 47 -4.718 -6.189 10.322 277 HD1 TYR 47 HD1 TYR 47 -6.183 -8.828 10.845 278 HD2 TYR 47 HD2 TYR 47 -2.162 -8.047 9.445 279 HE1 TYR 47 HE1 TYR 47 -5.453 -11.000 11.726 280 HE2 TYR 47 HE2 TYR 47 -1.428 -10.212 10.373 281 HH TYR 47 HH TYR 47 -2.034 -12.075 11.623 282 H ALA 48 H ALA 48 -6.916 -6.636 6.454 283 HA ALA 48 HA ALA 48 -7.861 -3.917 6.680 284 HB1 ALA 48 HB1 ALA 48 -6.327 -2.860 5.202 285 HB2 ALA 48 HB2 ALA 48 -5.316 -3.648 6.397 286 HB3 ALA 48 HB3 ALA 48 -5.502 -4.395 4.796 287 H VAL 49 H VAL 49 -8.651 -3.133 4.479 288 HA VAL 49 HA VAL 49 -9.535 -5.453 2.847 289 HB VAL 49 HB VAL 49 -11.279 -4.708 4.344 290 HG11 VAL 49 HG11 VAL 49 -11.541 -2.170 2.712 291 HG12 VAL 49 HG12 VAL 49 -12.468 -2.674 4.133 292 HG13 VAL 49 HG13 VAL 49 -10.767 -2.237 4.302 293 HG21 VAL 49 HG21 VAL 49 -11.914 -4.282 1.413 294 HG22 VAL 49 HG22 VAL 49 -11.782 -5.848 2.232 295 HG23 VAL 49 HG23 VAL 49 -13.061 -4.719 2.696 296 H LEU 50 H LEU 50 -7.723 -5.190 1.576 297 HA LEU 50 HA LEU 50 -8.112 -3.313 -0.609 298 HB3 LEU 50 HB3 LEU 50 -6.874 -1.812 0.556 299 HG LEU 50 HG LEU 50 -5.551 -4.025 1.967 300 HD11 LEU 50 HD11 LEU 50 -3.737 -1.792 0.958 301 HD12 LEU 50 HD12 LEU 50 -3.654 -3.508 0.459 302 HD13 LEU 50 HD13 LEU 50 -3.347 -3.038 2.156 303 HD21 LEU 50 HD21 LEU 50 -5.058 -2.159 3.543 304 HD22 LEU 50 HD22 LEU 50 -6.766 -2.165 3.050 305 HD23 LEU 50 HD23 LEU 50 -5.640 -0.992 2.345 306 H SER 51 H SER 51 -6.065 -3.547 -2.139 307 HA SER 51 HA SER 51 -5.261 -6.324 -2.546 308 HB3 SER 51 HB3 SER 51 -6.772 -4.749 -4.693 309 HG SER 51 HG SER 51 -6.861 -6.732 -5.707 310 H SER 52 H SER 52 -4.170 -6.036 -4.950 311 HA SER 52 HA SER 52 -1.739 -4.734 -4.495 312 HB3 SER 52 HB3 SER 52 -1.871 -6.664 -5.871 313 HG SER 52 HG SER 52 -3.621 -5.277 -7.668 314 H SER 53 H SER 53 -4.611 -3.147 -5.414 315 HA SER 53 HA SER 53 -3.417 -1.176 -7.150 316 HB3 SER 53 HB3 SER 53 -5.980 -0.947 -5.621 317 HG SER 53 HG SER 53 -5.871 -0.065 -8.197 318 H ASN 54 H ASN 54 -4.329 -1.358 -3.702 319 HA ASN 54 HA ASN 54 -3.751 1.340 -2.974 320 HB3 ASN 54 HB3 ASN 54 -3.772 0.385 -0.646 321 HD21 ASN 54 HD22 ASN 54 -5.733 1.347 -0.174 322 HD22 ASN 54 HD21 ASN 54 -7.248 0.835 -0.901 323 H VAL 55 H VAL 55 -1.858 -1.623 -2.852 324 HA VAL 55 HA VAL 55 0.376 -0.441 -1.407 325 HB VAL 55 HB VAL 55 -0.306 -2.645 -0.818 326 HG11 VAL 55 HG11 VAL 55 -0.213 -3.250 -3.717 327 HG12 VAL 55 HG12 VAL 55 0.015 -4.540 -2.507 328 HG13 VAL 55 HG13 VAL 55 -1.457 -3.569 -2.508 329 HG21 VAL 55 HG21 VAL 55 2.309 -2.865 -2.359 330 HG22 VAL 55 HG22 VAL 55 2.121 -2.107 -0.758 331 HG23 VAL 55 HG23 VAL 55 1.776 -3.849 -0.987 332 H ARG 56 H ARG 56 0.882 1.159 -2.832 333 HA ARG 56 HA ARG 56 1.429 0.448 -5.624 334 HB3 ARG 56 HB3 ARG 56 1.566 3.230 -4.392 335 HG3 ARG 56 HG3 ARG 56 2.408 3.070 -6.744 336 HD3 ARG 56 HD3 ARG 56 -0.008 2.675 -8.170 337 HE ARG 56 HE ARG 56 2.405 1.952 -8.695 338 HH11 ARG 56 HH11 ARG 56 -0.352 -0.220 -8.250 339 HH12 ARG 56 HH12 ARG 56 0.480 -1.645 -8.735 340 HH21 ARG 56 HH22 ARG 56 3.505 0.133 -9.540 341 HH22 ARG 56 HH21 ARG 56 2.714 -1.389 -9.667 342 H VAL 57 H VAL 57 3.240 -0.482 -6.023 343 HA VAL 57 HA VAL 57 5.747 0.036 -4.687 344 HB VAL 57 HB VAL 57 5.137 -1.538 -7.239 345 HG11 VAL 57 HG11 VAL 57 7.272 -2.726 -6.650 346 HG12 VAL 57 HG12 VAL 57 7.544 -1.018 -7.004 347 HG13 VAL 57 HG13 VAL 57 7.522 -1.607 -5.330 348 HG21 VAL 57 HG21 VAL 57 5.307 -2.482 -4.353 349 HG22 VAL 57 HG22 VAL 57 3.839 -2.454 -5.362 350 HG23 VAL 57 HG23 VAL 57 5.178 -3.525 -5.785 351 H ILE 58 H ILE 58 6.176 2.216 -4.972 352 HA ILE 58 HA ILE 58 6.586 3.327 -7.640 353 HB ILE 58 HB ILE 58 7.914 4.115 -5.009 354 HG13 ILE 58 HG13 ILE 58 6.171 5.886 -4.825 355 HG21 ILE 58 HG21 ILE 58 7.545 5.663 -7.607 356 HG22 ILE 58 HG22 ILE 58 8.119 6.368 -6.082 357 HG23 ILE 58 HG23 ILE 58 9.073 5.112 -6.889 358 HD11 ILE 58 HD11 ILE 58 3.986 5.596 -5.879 359 HD12 ILE 58 HD12 ILE 58 5.210 5.912 -7.114 360 HD13 ILE 58 HD13 ILE 58 4.587 4.257 -6.865 361 H LYS 59 H LYS 59 8.359 3.196 -8.963 362 HA LYS 59 HA LYS 59 10.600 1.419 -8.141 363 HB3 LYS 59 HB3 LYS 59 10.662 0.593 -10.458 364 HG3 LYS 59 HG3 LYS 59 7.763 0.324 -9.580 365 HD3 LYS 59 HD3 LYS 59 8.134 -2.024 -10.314 366 HE3 LYS 59 HE3 LYS 59 8.565 -1.847 -12.718 367 HZ1 LYS 59 HZ1 LYS 59 6.922 0.492 -12.139 368 HZ2 LYS 59 HZ2 LYS 59 6.413 -0.991 -11.615 369 HZ3 LYS 59 HZ3 LYS 59 6.688 -0.757 -13.201 370 H ASP 60 H ASP 60 12.447 1.701 -9.813 371 HA ASP 60 HA ASP 60 13.079 4.546 -10.140 372 HB3 ASP 60 HB3 ASP 60 14.669 2.014 -10.606 373 H LYS 61 H LYS 61 14.232 5.136 -12.226 374 HA LYS 61 HA LYS 61 12.439 4.509 -14.476 375 HB3 LYS 61 HB3 LYS 61 14.133 6.915 -13.844 376 HG3 LYS 61 HG3 LYS 61 11.821 6.452 -15.806 377 HD3 LYS 61 HD3 LYS 61 13.770 8.770 -15.537 378 HE3 LYS 61 HE3 LYS 61 11.128 8.810 -17.020 379 HZ1 LYS 61 HZ1 LYS 61 13.705 9.992 -17.780 380 HZ2 LYS 61 HZ2 LYS 61 12.675 10.791 -16.751 381 HZ3 LYS 61 HZ3 LYS 61 12.214 10.432 -18.290 382 H GLN 62 H GLN 62 15.843 4.660 -13.360 383 HA GLN 62 HA GLN 62 17.076 4.543 -15.995 384 HB3 GLN 62 HB3 GLN 62 19.131 4.388 -14.752 385 HG3 GLN 62 HG3 GLN 62 17.307 6.265 -13.202 386 HE21 GLN 62 HE22 GLN 62 20.168 7.116 -14.994 387 HE22 GLN 62 HE21 GLN 62 21.156 7.571 -13.617 388 H THR 63 H THR 63 16.065 2.473 -13.402 389 HA THR 63 HA THR 63 16.769 -0.039 -14.809 390 HB THR 63 HB THR 63 17.189 -0.943 -12.549 391 HG1 THR 63 HG1 THR 63 16.792 1.763 -11.696 392 HG21 THR 63 HG21 THR 63 19.061 0.053 -13.860 393 HG22 THR 63 HG22 THR 63 19.307 0.109 -12.103 394 HG23 THR 63 HG23 THR 63 18.835 1.586 -12.977 395 H GLN 64 H GLN 64 15.260 -1.833 -13.682 396 HA GLN 64 HA GLN 64 12.542 -0.653 -13.377 397 HB3 GLN 64 HB3 GLN 64 11.709 -2.751 -14.410 398 HG3 GLN 64 HG3 GLN 64 12.612 -2.461 -16.737 399 HE21 GLN 64 HE22 GLN 64 12.774 0.782 -15.069 400 HE22 GLN 64 HE21 GLN 64 11.166 1.239 -15.601 401 H LEU 65 H LEU 65 13.814 -0.464 -11.190 402 HA LEU 65 HA LEU 65 13.452 -2.956 -9.572 403 HB3 LEU 65 HB3 LEU 65 15.458 -2.205 -8.319 404 HG LEU 65 HG LEU 65 16.009 -2.482 -11.304 405 HD11 LEU 65 HD11 LEU 65 17.906 -2.637 -8.934 406 HD12 LEU 65 HD12 LEU 65 17.797 -1.315 -10.107 407 HD13 LEU 65 HD13 LEU 65 18.319 -2.926 -10.641 408 HD21 LEU 65 HD21 LEU 65 16.119 -4.547 -9.053 409 HD22 LEU 65 HD22 LEU 65 16.646 -4.806 -10.725 410 HD23 LEU 65 HD23 LEU 65 14.942 -4.497 -10.385 411 H ASN 66 H ASN 66 13.324 -2.443 -7.229 412 HA ASN 66 HA ASN 66 11.357 -0.348 -6.760 413 HB3 ASN 66 HB3 ASN 66 11.465 -1.077 -4.402 414 HD21 ASN 66 HD22 ASN 66 12.117 -3.978 -4.191 415 HD22 ASN 66 HD21 ASN 66 10.845 -4.804 -5.096 416 H ARG 67 H ARG 67 11.721 1.259 -4.902 417 HA ARG 67 HA ARG 67 14.487 2.440 -4.966 418 HB3 ARG 67 HB3 ARG 67 13.196 4.637 -4.579 419 HG3 ARG 67 HG3 ARG 67 12.875 3.308 -7.283 420 HD3 ARG 67 HD3 ARG 67 12.893 6.151 -6.206 421 HE ARG 67 HE ARG 67 14.543 5.879 -8.124 422 HH11 ARG 67 HH11 ARG 67 11.119 6.329 -8.824 423 HH12 ARG 67 HH12 ARG 67 11.373 7.540 -10.020 424 HH21 ARG 67 HH22 ARG 67 14.806 6.861 -10.145 425 HH22 ARG 67 HH21 ARG 67 13.579 7.918 -10.785 426 H GLY 68 H GLY 68 13.852 0.496 -2.987 427 HA2 GLY 68 HA2 GLY 68 14.009 0.230 -0.719 428 HA3 GLY 68 HA3 GLY 68 14.676 1.854 -0.716 429 H PHE 69 H PHE 69 11.437 1.923 -1.844 430 HA PHE 69 HA PHE 69 10.144 1.967 0.704 431 HB3 PHE 69 HB3 PHE 69 11.402 4.240 0.348 432 HD1 PHE 69 HD1 PHE 69 10.947 4.042 -2.666 433 HD2 PHE 69 HD2 PHE 69 8.958 6.268 0.421 434 HE1 PHE 69 HE1 PHE 69 10.184 5.682 -4.348 435 HE2 PHE 69 HE2 PHE 69 8.182 7.914 -1.238 436 HZ PHE 69 HZ PHE 69 8.761 7.605 -3.661 437 H ALA 70 H ALA 70 7.709 2.659 0.282 438 HA ALA 70 HA ALA 70 6.657 2.779 -2.345 439 HB1 ALA 70 HB1 ALA 70 6.994 0.460 -2.616 440 HB2 ALA 70 HB2 ALA 70 6.515 0.093 -0.944 441 HB3 ALA 70 HB3 ALA 70 5.304 0.619 -2.149 442 H PHE 71 H PHE 71 4.092 2.547 -2.077 443 HA PHE 71 HA PHE 71 3.344 4.042 0.392 444 HB3 PHE 71 HB3 PHE 71 1.471 4.748 -1.372 445 HD1 PHE 71 HD2 PHE 71 2.789 6.227 0.691 446 HD2 PHE 71 HD1 PHE 71 3.758 6.003 -3.521 447 HE1 PHE 71 HE2 PHE 71 3.847 8.414 0.812 448 HE2 PHE 71 HE1 PHE 71 4.899 8.192 -3.364 449 HZ PHE 71 HZ PHE 71 4.951 9.425 -1.188 450 H ILE 72 H ILE 72 1.179 3.740 1.269 451 HA ILE 72 HA ILE 72 -0.560 1.732 0.038 452 HB ILE 72 HB ILE 72 -0.082 1.519 3.007 453 HG13 ILE 72 HG13 ILE 72 2.051 0.910 2.022 454 HG21 ILE 72 HG21 ILE 72 -1.396 -0.514 2.791 455 HG22 ILE 72 HG22 ILE 72 -2.230 0.666 1.785 456 HG23 ILE 72 HG23 ILE 72 -1.189 -0.536 1.026 457 HD11 ILE 72 HD11 ILE 72 1.158 -0.263 4.054 458 HD12 ILE 72 HD12 ILE 72 0.603 -1.573 2.993 459 HD13 ILE 72 HD13 ILE 72 2.327 -1.190 3.100 460 H GLN 73 H GLN 73 -2.469 2.853 -0.214 461 HA GLN 73 HA GLN 73 -3.214 5.126 1.528 462 HB3 GLN 73 HB3 GLN 73 -5.076 5.220 -0.254 463 HG3 GLN 73 HG3 GLN 73 -2.231 5.436 -1.306 464 HE21 GLN 73 HE22 GLN 73 -5.335 7.365 -1.388 465 HE22 GLN 73 HE21 GLN 73 -5.368 7.389 -3.149 466 H LEU 74 H LEU 74 -4.935 5.051 3.055 467 HA LEU 74 HA LEU 74 -6.908 2.865 2.926 468 HB3 LEU 74 HB3 LEU 74 -6.424 2.790 5.572 469 HG LEU 74 HG LEU 74 -6.143 0.959 3.559 470 HD11 LEU 74 HD11 LEU 74 -3.922 -0.061 3.731 471 HD12 LEU 74 HD12 LEU 74 -3.372 1.236 4.811 472 HD13 LEU 74 HD13 LEU 74 -3.788 1.581 3.117 473 HD21 LEU 74 HD21 LEU 74 -5.365 0.785 6.487 474 HD22 LEU 74 HD22 LEU 74 -5.638 -0.623 5.422 475 HD23 LEU 74 HD23 LEU 74 -6.945 0.501 5.746 476 H SER 75 H SER 75 -8.494 3.072 4.794 477 HA SER 75 HA SER 75 -9.824 5.627 4.726 478 HB3 SER 75 HB3 SER 75 -11.494 4.478 6.041 479 HG SER 75 HG SER 75 -10.378 2.418 4.433 480 H THR 76 H THR 76 -10.586 6.718 6.831 481 HA THR 76 HA THR 76 -8.254 7.840 7.815 482 HB THR 76 HB THR 76 -10.601 8.400 9.528 483 HG1 THR 76 HG1 THR 76 -11.793 7.856 7.743 484 HG21 THR 76 HG21 THR 76 -10.133 10.702 8.810 485 HG22 THR 76 HG22 THR 76 -9.011 10.140 7.551 486 HG23 THR 76 HG23 THR 76 -8.622 9.906 9.264 487 H ILE 77 H ILE 77 -10.260 5.431 9.579 488 HA ILE 77 HA ILE 77 -8.671 5.726 12.030 489 HB ILE 77 HB ILE 77 -11.052 4.061 11.179 490 HG13 ILE 77 HG13 ILE 77 -11.316 6.504 11.743 491 HG21 ILE 77 HG21 ILE 77 -11.188 3.097 13.418 492 HG22 ILE 77 HG22 ILE 77 -9.714 2.605 12.629 493 HG23 ILE 77 HG23 ILE 77 -9.664 3.875 13.877 494 HD11 ILE 77 HD11 ILE 77 -13.208 4.923 12.202 495 HD12 ILE 77 HD12 ILE 77 -12.622 4.783 13.890 496 HD13 ILE 77 HD13 ILE 77 -13.157 6.349 13.258 497 H GLU 78 H GLU 78 -9.171 3.446 9.373 498 HA GLU 78 HA GLU 78 -7.479 1.354 10.222 499 HB3 GLU 78 HB3 GLU 78 -7.488 0.688 7.876 500 HG3 GLU 78 HG3 GLU 78 -9.894 0.613 7.373 501 H ALA 79 H ALA 79 -6.704 4.406 8.575 502 HA ALA 79 HA ALA 79 -3.961 3.746 7.957 503 HB1 ALA 79 HB1 ALA 79 -5.313 5.047 6.282 504 HB2 ALA 79 HB2 ALA 79 -5.564 6.301 7.503 505 HB3 ALA 79 HB3 ALA 79 -3.932 5.955 6.901 506 H ALA 80 H ALA 80 -4.350 3.373 10.440 507 HA ALA 80 HA ALA 80 -2.405 4.951 11.301 508 HB1 ALA 80 HB1 ALA 80 -3.910 6.598 12.235 509 HB2 ALA 80 HB2 ALA 80 -4.872 5.336 13.036 510 HB3 ALA 80 HB3 ALA 80 -3.214 5.689 13.577 511 H GLN 81 H GLN 81 -5.041 2.918 12.540 512 HA GLN 81 HA GLN 81 -3.649 1.647 14.687 513 HB3 GLN 81 HB3 GLN 81 -6.097 2.033 14.384 514 HG3 GLN 81 HG3 GLN 81 -6.016 -0.505 12.741 515 HE21 GLN 81 HE22 GLN 81 -8.342 -0.591 11.429 516 HE22 GLN 81 HE21 GLN 81 -9.679 -0.239 12.477 517 H LEU 82 H LEU 82 -3.900 0.830 11.317 518 HA LEU 82 HA LEU 82 -2.989 -1.813 11.302 519 HB3 LEU 82 HB3 LEU 82 -1.440 -0.745 9.317 520 HG LEU 82 HG LEU 82 -4.457 -1.012 9.047 521 HD11 LEU 82 HD11 LEU 82 -3.870 -1.272 6.659 522 HD12 LEU 82 HD12 LEU 82 -2.160 -0.994 7.032 523 HD13 LEU 82 HD13 LEU 82 -3.346 0.304 7.300 524 HD21 LEU 82 HD21 LEU 82 -3.828 -3.257 8.029 525 HD22 LEU 82 HD22 LEU 82 -3.596 -3.170 9.762 526 HD23 LEU 82 HD23 LEU 82 -2.187 -3.037 8.681 527 H LEU 83 H LEU 83 -1.090 1.169 11.896 528 HA LEU 83 HA LEU 83 1.468 0.130 11.632 529 HB3 LEU 83 HB3 LEU 83 0.485 2.193 13.643 530 HG LEU 83 HG LEU 83 2.958 1.528 13.811 531 HD11 LEU 83 HD11 LEU 83 3.112 2.928 11.088 532 HD12 LEU 83 HD12 LEU 83 3.367 1.206 11.355 533 HD13 LEU 83 HD13 LEU 83 4.474 2.382 12.081 534 HD21 LEU 83 HD21 LEU 83 2.035 3.689 14.571 535 HD22 LEU 83 HD22 LEU 83 2.310 4.379 12.960 536 HD23 LEU 83 HD23 LEU 83 3.689 3.840 13.952 537 H GLN 84 H GLN 84 -0.759 -0.107 14.411 538 HA GLN 84 HA GLN 84 1.173 -1.047 16.356 539 HB3 GLN 84 HB3 GLN 84 -1.104 -2.013 17.329 540 HG3 GLN 84 HG3 GLN 84 -0.029 -0.060 18.318 541 HE21 GLN 84 HE22 GLN 84 0.561 2.081 18.297 542 HE22 GLN 84 HE21 GLN 84 0.121 3.243 17.077 543 H ILE 85 H ILE 85 -1.142 -2.597 14.179 544 HA ILE 85 HA ILE 85 -0.731 -5.300 14.900 545 HB ILE 85 HB ILE 85 -1.532 -4.183 12.187 546 HG13 ILE 85 HG13 ILE 85 -2.899 -3.104 13.857 547 HG21 ILE 85 HG21 ILE 85 -1.071 -6.629 12.215 548 HG22 ILE 85 HG22 ILE 85 -2.229 -6.834 13.536 549 HG23 ILE 85 HG23 ILE 85 -2.763 -6.310 11.923 550 HD11 ILE 85 HD11 ILE 85 -4.649 -5.325 12.839 551 HD12 ILE 85 HD12 ILE 85 -5.024 -3.613 13.152 552 HD13 ILE 85 HD13 ILE 85 -3.998 -4.050 11.780 553 H LEU 86 H LEU 86 0.855 -3.185 12.500 554 HA LEU 86 HA LEU 86 2.377 -5.226 11.189 555 HB3 LEU 86 HB3 LEU 86 3.907 -3.184 10.659 556 HG LEU 86 HG LEU 86 2.272 -4.202 9.034 557 HD11 LEU 86 HD11 LEU 86 0.589 -1.804 9.858 558 HD12 LEU 86 HD12 LEU 86 0.123 -3.498 10.157 559 HD13 LEU 86 HD13 LEU 86 0.254 -2.879 8.500 560 HD21 LEU 86 HD21 LEU 86 2.217 -1.955 7.745 561 HD22 LEU 86 HD22 LEU 86 3.814 -2.560 8.277 562 HD23 LEU 86 HD23 LEU 86 2.972 -1.263 9.159 563 H GLN 87 H GLN 87 3.085 -3.275 14.077 564 HA GLN 87 HA GLN 87 5.893 -3.967 14.175 565 HB3 GLN 87 HB3 GLN 87 5.709 -3.140 16.545 566 HG3 GLN 87 HG3 GLN 87 4.965 -0.833 16.007 567 HE21 GLN 87 HE22 GLN 87 6.423 0.768 14.633 568 HE22 GLN 87 HE21 GLN 87 7.985 0.122 14.213 569 H ALA 88 H ALA 88 3.228 -5.897 14.505 570 HA ALA 88 HA ALA 88 4.552 -7.891 16.263 571 HB1 ALA 88 HB1 ALA 88 2.293 -8.297 17.215 572 HB2 ALA 88 HB2 ALA 88 2.837 -6.634 17.509 573 HB3 ALA 88 HB3 ALA 88 1.652 -6.963 16.226 574 H LEU 89 H LEU 89 4.662 -7.881 13.339 575 HA LEU 89 HA LEU 89 3.649 -10.597 13.075 576 HB3 LEU 89 HB3 LEU 89 1.717 -9.359 12.259 577 HG LEU 89 HG LEU 89 3.251 -7.420 11.228 578 HD11 LEU 89 HD11 LEU 89 2.732 -9.167 8.814 579 HD12 LEU 89 HD12 LEU 89 4.332 -8.746 9.479 580 HD13 LEU 89 HD13 LEU 89 3.308 -7.480 8.809 581 HD21 LEU 89 HD21 LEU 89 0.776 -7.450 11.421 582 HD22 LEU 89 HD22 LEU 89 0.656 -8.404 9.935 583 HD23 LEU 89 HD23 LEU 89 1.297 -6.742 9.892 584 H HIS 90 H HIS 90 4.512 -11.772 11.245 585 HA HIS 90 HA HIS 90 6.601 -10.593 9.622 586 HB3 HIS 90 HB3 HIS 90 7.257 -12.494 11.907 587 HD1 HIS 90 HD1 HIS 90 8.701 -14.328 10.761 588 HD2 HIS 90 HD2 HIS 90 9.740 -10.349 9.883 589 HE1 HIS 90 HE1 HIS 90 11.054 -14.404 9.707 590 HA PRO 91 HA PRO 91 4.701 -14.437 7.782 591 HB3 PRO 91 HB3 PRO 91 3.130 -13.209 6.589 592 HG3 PRO 91 HG3 PRO 91 3.558 -10.972 5.929 593 HD3 PRO 91 HD3 PRO 91 3.926 -10.986 8.258 594 HA PRO 92 HA PRO 92 8.525 -15.776 6.147 595 HB3 PRO 92 HB3 PRO 92 7.559 -17.854 5.917 596 HG3 PRO 92 HG3 PRO 92 5.411 -18.108 4.835 597 HD3 PRO 92 HD3 PRO 92 5.167 -16.598 6.672 598 H LEU 93 H LEU 93 6.996 -13.549 4.286 599 HA LEU 93 HA LEU 93 8.289 -14.118 1.735 600 HB3 LEU 93 HB3 LEU 93 6.796 -11.577 2.249 601 HG LEU 93 HG LEU 93 5.612 -12.115 0.203 602 HD11 LEU 93 HD11 LEU 93 7.365 -12.039 -1.484 603 HD12 LEU 93 HD12 LEU 93 8.578 -12.539 -0.298 604 HD13 LEU 93 HD13 LEU 93 7.741 -10.971 -0.113 605 HD21 LEU 93 HD21 LEU 93 5.504 -14.553 0.538 606 HD22 LEU 93 HD22 LEU 93 7.193 -14.696 0.010 607 HD23 LEU 93 HD23 LEU 93 5.964 -14.090 -1.113 608 H THR 94 H THR 94 10.321 -13.882 3.384 609 HA THR 94 HA THR 94 11.526 -11.201 2.930 610 HB THR 94 HB THR 94 12.368 -13.593 4.599 611 HG1 THR 94 HG1 THR 94 12.127 -10.880 5.313 612 HG21 THR 94 HG21 THR 94 14.177 -11.892 5.378 613 HG22 THR 94 HG22 THR 94 14.030 -11.328 3.696 614 HG23 THR 94 HG23 THR 94 14.465 -13.019 4.011 615 H ILE 95 H ILE 95 13.430 -11.071 1.758 616 HA ILE 95 HA ILE 95 14.227 -13.158 -0.134 617 HB ILE 95 HB ILE 95 12.627 -11.741 -1.329 618 HG13 ILE 95 HG13 ILE 95 13.835 -11.685 -3.173 619 HG21 ILE 95 HG21 ILE 95 12.919 -9.359 -1.600 620 HG22 ILE 95 HG22 ILE 95 12.565 -9.775 0.069 621 HG23 ILE 95 HG23 ILE 95 14.222 -9.340 -0.395 622 HD11 ILE 95 HD11 ILE 95 15.919 -9.916 -1.841 623 HD12 ILE 95 HD12 ILE 95 16.037 -10.535 -3.490 624 HD13 ILE 95 HD13 ILE 95 14.720 -9.441 -3.069 625 H ASP 96 H ASP 96 16.450 -12.948 -0.500 626 HA ASP 96 HA ASP 96 18.594 -12.698 0.011 627 HB3 ASP 96 HB3 ASP 96 19.422 -10.300 -0.125 628 H GLY 97 H GLY 97 16.546 -11.873 2.488 629 HA2 GLY 97 HA2 GLY 97 17.442 -12.604 4.716 630 HA3 GLY 97 HA3 GLY 97 18.737 -11.433 4.457 631 H LYS 98 H LYS 98 15.708 -10.115 3.299 632 HA LYS 98 HA LYS 98 15.990 -8.260 5.611 633 HB3 LYS 98 HB3 LYS 98 16.752 -7.247 3.710 634 HG3 LYS 98 HG3 LYS 98 15.382 -8.265 1.894 635 HD3 LYS 98 HD3 LYS 98 13.259 -6.937 3.502 636 HE3 LYS 98 HE3 LYS 98 13.457 -6.887 0.449 637 HZ1 LYS 98 HZ1 LYS 98 11.192 -5.969 2.116 638 HZ2 LYS 98 HZ2 LYS 98 11.182 -7.393 1.319 639 HZ3 LYS 98 HZ3 LYS 98 11.212 -6.007 0.473 640 H THR 99 H THR 99 14.377 -7.097 6.553 641 HA THR 99 HA THR 99 11.676 -8.231 6.299 642 HB THR 99 HB THR 99 11.716 -7.149 8.803 643 HG1 THR 99 HG1 THR 99 14.245 -8.385 8.614 644 HG21 THR 99 HG21 THR 99 10.989 -9.393 8.243 645 HG22 THR 99 HG22 THR 99 12.143 -9.485 9.579 646 HG23 THR 99 HG23 THR 99 12.645 -9.917 7.929 647 H ILE 100 H ILE 100 10.118 -6.228 7.337 648 HA ILE 100 HA ILE 100 10.577 -4.045 5.295 649 HB ILE 100 HB ILE 100 7.920 -5.023 6.289 650 HG13 ILE 100 HG13 ILE 100 7.643 -6.466 4.328 651 HG21 ILE 100 HG21 ILE 100 7.180 -4.080 4.116 652 HG22 ILE 100 HG22 ILE 100 7.965 -2.890 5.168 653 HG23 ILE 100 HG23 ILE 100 8.861 -3.564 3.805 654 HD11 ILE 100 HD11 ILE 100 9.312 -5.728 2.761 655 HD12 ILE 100 HD12 ILE 100 10.655 -5.985 3.892 656 HD13 ILE 100 HD13 ILE 100 9.753 -7.344 3.259 657 H ASN 101 H ASN 101 10.863 -2.128 6.324 658 HA ASN 101 HA ASN 101 10.462 -2.038 9.204 659 HB3 ASN 101 HB3 ASN 101 10.814 0.648 8.084 660 HD21 ASN 101 HD22 ASN 101 12.412 1.869 9.419 661 HD22 ASN 101 HD21 ASN 101 12.951 1.095 10.903 662 H VAL 102 H VAL 102 9.195 -0.574 10.355 663 HA VAL 102 HA VAL 102 6.471 -0.410 9.143 664 HB VAL 102 HB VAL 102 7.394 -0.922 11.978 665 HG11 VAL 102 HG11 VAL 102 5.279 0.110 12.156 666 HG12 VAL 102 HG12 VAL 102 4.639 -0.744 10.731 667 HG13 VAL 102 HG13 VAL 102 4.932 -1.614 12.249 668 HG21 VAL 102 HG21 VAL 102 7.856 -2.877 10.523 669 HG22 VAL 102 HG22 VAL 102 6.584 -3.210 11.695 670 HG23 VAL 102 HG23 VAL 102 6.151 -2.877 10.017 671 H GLU 103 H GLU 103 5.978 1.705 8.662 672 HA GLU 103 HA GLU 103 6.399 3.778 10.646 673 HB3 GLU 103 HB3 GLU 103 7.777 4.064 7.923 674 HG3 GLU 103 HG3 GLU 103 7.856 5.557 10.577 675 H PHE 104 H PHE 104 5.591 5.958 9.640 676 HA PHE 104 HA PHE 104 3.320 5.512 7.780 677 HB3 PHE 104 HB3 PHE 104 2.833 7.467 9.924 678 HD1 PHE 104 HD1 PHE 104 1.012 7.576 8.014 679 HD2 PHE 104 HD2 PHE 104 1.392 4.270 10.766 680 HE1 PHE 104 HE1 PHE 104 -1.265 6.794 7.430 681 HE2 PHE 104 HE2 PHE 104 -0.815 3.475 10.131 682 HZ PHE 104 HZ PHE 104 -2.096 4.697 8.382 683 H ALA 105 H ALA 105 2.759 7.475 6.591 684 HA ALA 105 HA ALA 105 4.708 9.717 6.752 685 HB1 ALA 105 HB1 ALA 105 3.393 8.505 4.287 686 HB2 ALA 105 HB2 ALA 105 4.465 9.920 4.308 687 HB3 ALA 105 HB3 ALA 105 5.107 8.332 4.755 688 H LYS 106 H LYS 106 1.957 9.229 7.967 689 HA LYS 106 HA LYS 106 0.220 11.196 6.710 690 HB3 LYS 106 HB3 LYS 106 -0.650 9.290 7.923 691 HG3 LYS 106 HG3 LYS 106 0.876 9.164 9.952 692 HD3 LYS 106 HD3 LYS 106 -0.697 11.650 10.543 693 HE3 LYS 106 HE3 LYS 106 -1.503 10.328 12.377 694 HZ1 LYS 106 HZ1 LYS 106 -0.026 8.558 12.582 695 HZ2 LYS 106 HZ2 LYS 106 0.267 9.458 13.925 696 HZ3 LYS 106 HZ3 LYS 106 1.312 9.492 12.660 697 H GLY 107 H GLY 107 -0.534 13.085 8.016 698 HA2 GLY 107 HA2 GLY 107 1.841 14.570 8.908 699 HA3 GLY 107 HA3 GLY 107 0.203 15.206 8.659 700 H SER 108 H SER 108 -1.227 15.330 10.435 701 HA SER 108 HA SER 108 -1.088 13.503 12.594 702 HB3 SER 108 HB3 SER 108 -0.524 16.439 13.222 703 HG SER 108 HG SER 108 -1.420 15.656 14.945 704 H LYS 109 H LYS 109 -3.065 13.760 13.846 705 HA LYS 109 HA LYS 109 -4.874 15.981 13.251 706 HB3 LYS 109 HB3 LYS 109 -5.530 14.321 11.600 707 HG3 LYS 109 HG3 LYS 109 -5.470 12.357 13.896 708 HD3 LYS 109 HD3 LYS 109 -7.522 12.470 11.680 709 HE3 LYS 109 HE3 LYS 109 -8.069 10.123 12.166 710 HZ1 LYS 109 HZ1 LYS 109 -6.504 9.185 10.766 711 HZ2 LYS 109 HZ2 LYS 109 -5.277 10.161 11.258 712 HZ3 LYS 109 HZ3 LYS 109 -6.466 10.779 10.332 713 H ARG 110 H ARG 110 -6.862 15.759 14.805 714 HA ARG 110 HA ARG 110 -6.554 13.780 16.909 715 HB3 ARG 110 HB3 ARG 110 -7.564 15.532 18.529 716 HG3 ARG 110 HG3 ARG 110 -4.624 15.925 17.846 717 HD3 ARG 110 HD3 ARG 110 -4.670 15.641 20.496 718 HE ARG 110 HE ARG 110 -5.643 18.300 19.589 719 HH11 ARG 110 HH11 ARG 110 -2.838 16.322 20.446 720 HH12 ARG 110 HH12 ARG 110 -1.790 17.659 20.751 721 HH21 ARG 110 HH22 ARG 110 -4.208 20.073 19.718 722 HH22 ARG 110 HH21 ARG 110 -2.556 19.791 20.134 723 H ASP 111 H ASP 111 -8.604 13.132 17.665 724 HA ASP 111 HA ASP 111 -11.138 13.987 17.141 725 HB3 ASP 111 HB3 ASP 111 -10.156 12.101 14.963 726 H MET 112 H MET 112 -12.272 12.662 18.691 727 HA MET 112 HA MET 112 -11.507 9.889 18.986 728 HB3 MET 112 HB3 MET 112 -10.846 11.776 21.300 729 HG3 MET 112 HG3 MET 112 -11.656 9.539 22.035 730 HE1 MET 112 HE1 MET 112 -11.513 6.998 22.452 731 HE2 MET 112 HE2 MET 112 -10.259 5.931 21.797 732 HE3 MET 112 HE3 MET 112 -9.820 7.214 22.946 733 H ALA 113 H ALA 113 -13.652 9.342 18.721 734 HA ALA 113 HA ALA 113 -15.257 9.668 21.145 735 HB1 ALA 113 HB1 ALA 113 -17.272 10.374 19.957 736 HB2 ALA 113 HB2 ALA 113 -16.000 11.598 19.830 737 HB3 ALA 113 HB3 ALA 113 -16.354 10.543 18.442 738 H SER 114 H SER 114 -14.873 7.444 21.431 739 HA SER 114 HA SER 114 -16.941 5.919 20.169 740 HB3 SER 114 HB3 SER 114 -14.407 4.350 20.065 741 HG SER 114 HG SER 114 -16.289 3.462 19.323 742 H ASN 115 H ASN 115 -17.923 5.244 22.059 743 HA ASN 115 HA ASN 115 -16.432 3.761 24.033 744 HB3 ASN 115 HB3 ASN 115 -17.589 6.478 24.811 745 HD21 ASN 115 HD22 ASN 115 -15.491 3.786 26.181 746 HD22 ASN 115 HD21 ASN 115 -16.378 3.771 27.697 747 H GLU 116 H GLU 116 -17.874 2.557 25.421 748 HA GLU 116 HA GLU 116 -20.679 3.125 25.579 749 HB3 GLU 116 HB3 GLU 116 -20.802 2.086 23.434 750 HG3 GLU 116 HG3 GLU 116 -19.902 -0.620 24.032 751 H GLY 117 H GLY 117 -21.709 1.223 26.883 752 HA2 GLY 117 HA2 GLY 117 -19.804 -0.260 28.609 753 HA3 GLY 117 HA3 GLY 117 -20.857 0.950 29.344 754 H SER 118 H SER 118 -22.504 -0.615 26.718 755 HA SER 118 HA SER 118 -23.699 -2.614 28.558 756 HB3 SER 118 HB3 SER 118 -25.158 -0.790 28.797 757 HG SER 118 HG SER 118 -26.071 -0.253 26.435 758 H ARG 119 H ARG 119 -22.994 -4.479 27.600 759 HA ARG 119 HA ARG 119 -23.917 -5.060 24.924 760 HB3 ARG 119 HB3 ARG 119 -20.971 -4.707 25.558 761 HG3 ARG 119 HG3 ARG 119 -21.001 -6.873 24.561 762 HD3 ARG 119 HD3 ARG 119 -22.645 -5.780 22.253 763 HE ARG 119 HE ARG 119 -21.107 -8.212 22.724 764 HH11 ARG 119 HH11 ARG 119 -23.740 -6.810 20.730 765 HH12 ARG 119 HH12 ARG 119 -23.599 -8.080 19.561 766 HH21 ARG 119 HH22 ARG 119 -21.093 -9.879 21.158 767 HH22 ARG 119 HH21 ARG 119 -22.364 -9.938 19.959 768 H ILE 120 H ILE 120 -25.063 -6.668 25.747 769 HA ILE 120 HA ILE 120 -23.582 -9.058 26.698 770 HB ILE 120 HB ILE 120 -25.517 -9.602 28.204 771 HG13 ILE 120 HG13 ILE 120 -27.004 -7.806 26.991 772 HG21 ILE 120 HG21 ILE 120 -23.371 -8.710 29.067 773 HG22 ILE 120 HG22 ILE 120 -24.011 -7.065 28.974 774 HG23 ILE 120 HG23 ILE 120 -24.750 -8.254 30.076 775 HD11 ILE 120 HD11 ILE 120 -27.817 -9.186 28.890 776 HD12 ILE 120 HD12 ILE 120 -27.106 -8.022 30.034 777 HD13 ILE 120 HD13 ILE 120 -28.428 -7.521 28.967 778 H SER 121 H SER 121 -25.345 -10.959 26.673 779 HA SER 121 HA SER 121 -26.602 -11.040 23.984 780 HB3 SER 121 HB3 SER 121 -25.435 -13.281 25.707 781 HG SER 121 HG SER 121 -25.345 -13.934 23.217 782 H ALA 122 H ALA 122 -28.411 -12.764 24.091 783 HA ALA 122 HA ALA 122 -30.438 -13.448 24.757 784 HB1 ALA 122 HB1 ALA 122 -28.958 -13.995 27.349 785 HB2 ALA 122 HB2 ALA 122 -30.403 -14.827 26.754 786 HB3 ALA 122 HB3 ALA 122 -28.873 -14.999 25.874 787 H ALA 123 H ALA 123 -30.285 -10.583 25.076 788 HA ALA 123 HA ALA 123 -31.163 -9.583 27.484 789 HB1 ALA 123 HB1 ALA 123 -30.527 -8.165 25.607 790 HB2 ALA 123 HB2 ALA 123 -31.964 -8.677 24.684 791 HB3 ALA 123 HB3 ALA 123 -32.146 -7.717 26.166 792 H SER 124 H SER 124 -33.318 -11.193 25.064 793 HA SER 124 HA SER 124 -35.267 -11.690 27.066 794 HB3 SER 124 HB3 SER 124 -36.156 -9.704 24.921 795 HG SER 124 HG SER 124 -37.834 -9.513 26.683 796 H VAL 125 H VAL 125 -37.360 -12.562 25.873 797 HA VAL 125 HA VAL 125 -37.034 -13.540 23.203 798 HB VAL 125 HB VAL 125 -35.816 -15.286 24.413 799 HG11 VAL 125 HG11 VAL 125 -36.878 -16.780 26.048 800 HG12 VAL 125 HG12 VAL 125 -36.807 -15.124 26.659 801 HG13 VAL 125 HG13 VAL 125 -38.341 -15.773 26.049 802 HG21 VAL 125 HG21 VAL 125 -38.523 -16.392 23.577 803 HG22 VAL 125 HG22 VAL 125 -37.224 -15.910 22.449 804 HG23 VAL 125 HG23 VAL 125 -36.967 -17.232 23.598 805 H ALA 126 H ALA 126 -39.163 -14.089 22.378 806 HA ALA 126 HA ALA 126 -41.467 -13.509 24.179 807 HB1 ALA 126 HB1 ALA 126 -40.777 -11.415 23.048 808 HB2 ALA 126 HB2 ALA 126 -40.955 -12.218 21.464 809 HB3 ALA 126 HB3 ALA 126 -42.370 -11.970 22.506 810 H SER 127 H SER 127 -40.187 -15.884 22.411 811 HA SER 127 HA SER 127 -42.592 -16.540 20.806 812 HB3 SER 127 HB3 SER 127 -40.832 -15.816 19.425 813 HG SER 127 HG SER 127 -38.956 -17.620 20.398 814 H THR 128 H THR 128 -41.576 -17.492 23.688 815 HA THR 128 HA THR 128 -41.001 -20.253 23.428 816 HB THR 128 HB THR 128 -42.343 -18.860 25.781 817 HG1 THR 128 HG1 THR 128 -40.258 -18.248 26.404 818 HG21 THR 128 HG21 THR 128 -41.972 -21.313 25.979 819 HG22 THR 128 HG22 THR 128 -40.956 -20.411 27.114 820 HG23 THR 128 HG23 THR 128 -40.247 -21.080 25.625 821 H ALA 129 H ALA 129 -42.375 -21.880 22.807 822 HA ALA 129 HA ALA 129 -45.194 -21.829 23.533 823 HB1 ALA 129 HB1 ALA 129 -44.235 -22.231 20.655 824 HB2 ALA 129 HB2 ALA 129 -45.904 -22.402 21.234 825 HB3 ALA 129 HB3 ALA 129 -45.128 -20.810 21.249 826 H ILE 130 H ILE 130 -45.941 -24.148 22.378 827 HA ILE 130 HA ILE 130 -43.889 -26.196 22.940 828 HB ILE 130 HB ILE 130 -45.679 -27.787 23.415 829 HG13 ILE 130 HG13 ILE 130 -47.511 -26.584 22.145 830 HG21 ILE 130 HG21 ILE 130 -44.520 -26.536 25.244 831 HG22 ILE 130 HG22 ILE 130 -45.880 -25.393 25.292 832 HG23 ILE 130 HG23 ILE 130 -46.129 -27.107 25.692 833 HD11 ILE 130 HD11 ILE 130 -49.346 -27.254 23.548 834 HD12 ILE 130 HD12 ILE 130 -48.058 -28.466 23.674 835 HD13 ILE 130 HD13 ILE 130 -48.319 -27.291 24.990 836 H ALA 131 H ALA 131 -44.667 -28.257 21.530 837 HA ALA 131 HA ALA 131 -46.065 -27.679 19.144 838 HB1 ALA 131 HB1 ALA 131 -43.731 -27.268 18.359 839 HB2 ALA 131 HB2 ALA 131 -43.229 -28.822 19.081 840 HB3 ALA 131 HB3 ALA 131 -44.375 -28.805 17.727 Start of MODEL 16 1 H1 GLN 1 H1 GLN 1 42.071 58.382 31.840 2 HA GLN 1 HA GLN 1 41.373 58.679 29.476 3 HB3 GLN 1 HB3 GLN 1 39.313 56.766 30.471 4 HG3 GLN 1 HG3 GLN 1 40.422 55.142 29.085 5 HE21 GLN 1 HE22 GLN 1 38.983 55.327 27.269 6 HE22 GLN 1 HE21 GLN 1 39.151 56.610 26.097 7 H ALA 2 H ALA 2 39.593 59.231 28.065 8 HA ALA 2 HA ALA 2 37.215 60.562 29.204 9 HB1 ALA 2 HB1 ALA 2 37.970 59.772 26.344 10 HB2 ALA 2 HB2 ALA 2 36.561 60.741 26.824 11 HB3 ALA 2 HB3 ALA 2 38.193 61.387 27.055 12 H GLN 3 H GLN 3 35.157 59.415 27.811 13 HA GLN 3 HA GLN 3 35.428 56.598 27.545 14 HB3 GLN 3 HB3 GLN 3 33.149 57.476 29.346 15 HG3 GLN 3 HG3 GLN 3 33.212 55.102 28.408 16 HE21 GLN 3 HE22 GLN 3 34.786 54.225 31.389 17 HE22 GLN 3 HE21 GLN 3 36.178 53.476 30.616 18 H GLY 4 H GLY 4 33.012 55.867 26.759 19 HA2 GLY 4 HA2 GLY 4 31.737 58.054 25.223 20 HA3 GLY 4 HA3 GLY 4 32.071 56.472 24.485 21 H VAL 5 H VAL 5 29.499 57.024 24.454 22 HA VAL 5 HA VAL 5 28.114 55.830 26.733 23 HB VAL 5 HB VAL 5 27.122 56.951 24.060 24 HG11 VAL 5 HG11 VAL 5 24.880 56.997 25.197 25 HG12 VAL 5 HG12 VAL 5 25.476 55.373 24.920 26 HG13 VAL 5 HG13 VAL 5 25.577 56.086 26.551 27 HG21 VAL 5 HG21 VAL 5 26.256 58.867 25.406 28 HG22 VAL 5 HG22 VAL 5 27.094 58.227 26.834 29 HG23 VAL 5 HG23 VAL 5 28.012 58.796 25.424 30 H LEU 6 H LEU 6 26.727 53.992 25.982 31 HA LEU 6 HA LEU 6 27.833 52.278 23.854 32 HB3 LEU 6 HB3 LEU 6 27.729 50.297 25.413 33 HG LEU 6 HG LEU 6 29.717 52.429 26.317 34 HD11 LEU 6 HD11 LEU 6 30.984 50.554 27.275 35 HD12 LEU 6 HD12 LEU 6 29.689 49.423 26.818 36 HD13 LEU 6 HD13 LEU 6 29.389 50.692 28.027 37 HD21 LEU 6 HD21 LEU 6 31.327 51.146 24.919 38 HD22 LEU 6 HD22 LEU 6 30.035 51.838 23.945 39 HD23 LEU 6 HD23 LEU 6 30.005 50.105 24.348 40 H ALA 7 H ALA 7 26.258 50.392 23.497 41 HA ALA 7 HA ALA 7 23.549 50.746 24.457 42 HB1 ALA 7 HB1 ALA 7 23.603 52.283 22.482 43 HB2 ALA 7 HB2 ALA 7 24.209 50.951 21.471 44 HB3 ALA 7 HB3 ALA 7 22.581 50.872 22.173 45 H SER 8 H SER 8 22.194 48.870 23.190 46 HA SER 8 HA SER 8 23.781 46.593 22.457 47 HB3 SER 8 HB3 SER 8 23.947 46.436 24.874 48 HG SER 8 HG SER 8 22.145 47.613 25.495 49 H GLN 9 H GLN 9 22.097 44.694 22.002 50 HA GLN 9 HA GLN 9 19.372 45.481 21.597 51 HB3 GLN 9 HB3 GLN 9 20.268 46.442 19.539 52 HG3 GLN 9 HG3 GLN 9 21.559 43.721 19.042 53 HE21 GLN 9 HE22 GLN 9 21.852 43.133 16.872 54 HE22 GLN 9 HE21 GLN 9 21.559 44.269 15.558 55 H ALA 10 H ALA 10 18.109 43.498 20.971 56 HA ALA 10 HA ALA 10 19.537 40.945 20.867 57 HB1 ALA 10 HB1 ALA 10 19.211 41.222 23.292 58 HB2 ALA 10 HB2 ALA 10 17.487 41.592 23.048 59 HB3 ALA 10 HB3 ALA 10 18.118 39.974 22.663 60 H LEU 11 H LEU 11 18.642 40.213 18.935 61 HA LEU 11 HA LEU 11 15.714 40.164 18.675 62 HB3 LEU 11 HB3 LEU 11 15.887 40.675 16.278 63 HG LEU 11 HG LEU 11 15.503 42.587 18.101 64 HD11 LEU 11 HD11 LEU 11 17.938 43.135 18.380 65 HD12 LEU 11 HD12 LEU 11 17.021 44.505 17.742 66 HD13 LEU 11 HD13 LEU 11 18.036 43.532 16.655 67 HD21 LEU 11 HD21 LEU 11 16.048 43.126 15.147 68 HD22 LEU 11 HD22 LEU 11 15.112 44.172 16.243 69 HD23 LEU 11 HD23 LEU 11 14.518 42.550 15.855 70 H SER 12 H SER 12 15.077 38.260 17.668 71 HA SER 12 HA SER 12 16.823 36.813 15.916 72 HB3 SER 12 HB3 SER 12 16.858 34.678 17.038 73 HG SER 12 HG SER 12 18.151 36.745 17.971 74 H GLN 13 H GLN 13 15.250 36.726 14.282 75 HA GLN 13 HA GLN 13 12.967 35.124 14.677 76 HB3 GLN 13 HB3 GLN 13 11.996 37.847 13.820 77 HG3 GLN 13 HG3 GLN 13 10.855 35.726 15.695 78 HE21 GLN 13 HE22 GLN 13 9.095 36.542 16.838 79 HE22 GLN 13 HE21 GLN 13 8.070 37.858 16.269 80 H GLY 14 H GLY 14 11.502 35.465 12.520 81 HA2 GLY 14 HA2 GLY 14 11.496 36.016 10.190 82 HA3 GLY 14 HA3 GLY 14 13.249 35.972 10.173 83 H SER 15 H SER 15 10.327 33.959 10.447 84 HA SER 15 HA SER 15 11.717 31.709 9.282 85 HB3 SER 15 HB3 SER 15 11.197 30.877 11.436 86 HG SER 15 HG SER 15 8.513 31.673 11.322 87 H GLU 16 H GLU 16 10.708 31.146 7.448 88 HA GLU 16 HA GLU 16 8.171 32.550 6.607 89 HB3 GLU 16 HB3 GLU 16 9.329 32.981 4.391 90 HG3 GLU 16 HG3 GLU 16 10.223 34.355 6.937 91 HA PRO 17 HA PRO 17 7.925 28.066 5.323 92 HB3 PRO 17 HB3 PRO 17 7.080 27.450 7.382 93 HG3 PRO 17 HG3 PRO 17 5.796 28.942 8.743 94 HD3 PRO 17 HD3 PRO 17 7.886 29.949 8.350 95 H SER 18 H SER 18 6.000 27.098 4.123 96 HA SER 18 HA SER 18 4.427 29.148 2.613 97 HB3 SER 18 HB3 SER 18 4.592 27.709 0.656 98 HG SER 18 HG SER 18 7.178 28.172 1.777 99 H SER 19 H SER 19 4.156 25.537 2.469 100 HA SER 19 HA SER 19 1.933 25.484 4.337 101 HB3 SER 19 HB3 SER 19 0.346 24.542 2.769 102 HG SER 19 HG SER 19 0.434 26.848 2.668 103 H GLU 20 H GLU 20 1.794 23.399 5.192 104 HA GLU 20 HA GLU 20 3.656 21.300 4.241 105 HB3 GLU 20 HB3 GLU 20 2.960 20.187 6.339 106 HG3 GLU 20 HG3 GLU 20 3.964 23.052 6.562 107 H ASN 21 H ASN 21 2.452 19.039 4.258 108 HA ASN 21 HA ASN 21 -0.095 19.285 2.705 109 HB3 ASN 21 HB3 ASN 21 2.178 17.279 2.706 110 HD21 ASN 21 HD22 ASN 21 1.925 15.375 1.610 111 HD22 ASN 21 HD21 ASN 21 0.475 14.883 0.752 112 H ALA 22 H ALA 22 -1.807 17.845 3.147 113 HA ALA 22 HA ALA 22 -1.685 16.338 5.695 114 HB1 ALA 22 HB1 ALA 22 -3.797 18.409 4.995 115 HB2 ALA 22 HB2 ALA 22 -3.853 17.296 6.376 116 HB3 ALA 22 HB3 ALA 22 -2.586 18.540 6.292 117 H ASN 23 H ASN 23 -1.547 14.438 4.389 118 HA ASN 23 HA ASN 23 -4.266 13.546 4.208 119 HB3 ASN 23 HB3 ASN 23 -2.573 12.461 1.996 120 HD21 ASN 23 HD22 ASN 23 -5.435 11.950 3.665 121 HD22 ASN 23 HD21 ASN 23 -6.368 11.661 2.222 122 H ASP 24 H ASP 24 -3.677 10.835 3.450 123 HA ASP 24 HA ASP 24 -2.293 9.969 5.889 124 HB3 ASP 24 HB3 ASP 24 -4.182 10.051 7.053 125 H THR 25 H THR 25 -1.247 8.172 5.481 126 HA THR 25 HA THR 25 -1.817 6.248 3.408 127 HB THR 25 HB THR 25 0.008 8.665 3.062 128 HG1 THR 25 HG1 THR 25 -2.198 8.332 2.153 129 HG21 THR 25 HG21 THR 25 1.151 7.750 1.197 130 HG22 THR 25 HG22 THR 25 0.373 6.176 1.377 131 HG23 THR 25 HG23 THR 25 1.503 6.774 2.605 132 H ILE 26 H ILE 26 0.028 4.702 3.414 133 HA ILE 26 HA ILE 26 1.696 4.766 5.870 134 HB ILE 26 HB ILE 26 0.388 2.505 4.406 135 HG13 ILE 26 HG13 ILE 26 -0.602 1.809 6.406 136 HG21 ILE 26 HG21 ILE 26 2.583 1.655 4.638 137 HG22 ILE 26 HG22 ILE 26 2.703 2.214 6.307 138 HG23 ILE 26 HG23 ILE 26 1.598 0.895 5.899 139 HD11 ILE 26 HD11 ILE 26 -0.391 2.696 8.537 140 HD12 ILE 26 HD12 ILE 26 1.284 2.564 8.027 141 HD13 ILE 26 HD13 ILE 26 0.468 4.146 7.951 142 H ILE 27 H ILE 27 3.838 3.922 5.483 143 HA ILE 27 HA ILE 27 4.897 3.995 2.779 144 HB ILE 27 HB ILE 27 5.243 6.297 3.943 145 HG13 ILE 27 HG13 ILE 27 7.401 4.702 2.570 146 HG21 ILE 27 HG21 ILE 27 6.946 6.563 5.556 147 HG22 ILE 27 HG22 ILE 27 5.938 5.248 6.172 148 HG23 ILE 27 HG23 ILE 27 7.499 4.886 5.382 149 HD11 ILE 27 HD11 ILE 27 7.450 6.827 1.192 150 HD12 ILE 27 HD12 ILE 27 5.888 5.972 1.173 151 HD13 ILE 27 HD13 ILE 27 6.123 7.441 2.173 152 H LEU 28 H LEU 28 7.001 2.757 2.844 153 HA LEU 28 HA LEU 28 7.389 1.076 5.263 154 HB3 LEU 28 HB3 LEU 28 7.581 -0.899 3.907 155 HG LEU 28 HG LEU 28 5.212 0.138 4.751 156 HD11 LEU 28 HD11 LEU 28 3.609 0.287 3.098 157 HD12 LEU 28 HD12 LEU 28 4.559 -0.606 1.884 158 HD13 LEU 28 HD13 LEU 28 4.949 1.077 2.296 159 HD21 LEU 28 HD21 LEU 28 5.602 -2.433 3.216 160 HD22 LEU 28 HD22 LEU 28 4.213 -2.042 4.263 161 HD23 LEU 28 HD23 LEU 28 5.853 -2.141 4.959 162 H ARG 29 H ARG 29 9.530 0.077 5.202 163 HA ARG 29 HA ARG 29 11.436 1.390 3.343 164 HB3 ARG 29 HB3 ARG 29 12.850 2.246 5.206 165 HG3 ARG 29 HG3 ARG 29 10.021 3.336 5.349 166 HD3 ARG 29 HD3 ARG 29 11.905 4.334 6.799 167 HE ARG 29 HE ARG 29 13.100 4.892 4.266 168 HH11 ARG 29 HH11 ARG 29 12.175 6.470 7.334 169 HH12 ARG 29 HH12 ARG 29 13.304 7.779 7.136 170 HH21 ARG 29 HH22 ARG 29 14.630 6.745 4.051 171 HH22 ARG 29 HH21 ARG 29 14.675 7.887 5.356 172 H ASN 30 H ASN 30 13.820 0.612 4.159 173 HA ASN 30 HA ASN 30 15.308 -1.048 4.367 174 HB3 ASN 30 HB3 ASN 30 13.327 -2.507 6.113 175 HD21 ASN 30 HD22 ASN 30 14.249 -4.341 6.918 176 HD22 ASN 30 HD21 ASN 30 15.941 -4.592 7.235 177 H LEU 31 H LEU 31 13.561 -1.231 2.048 178 HA LEU 31 HA LEU 31 12.888 -4.056 1.784 179 HB3 LEU 31 HB3 LEU 31 11.675 -3.595 -0.092 180 HG LEU 31 HG LEU 31 10.698 -2.411 2.000 181 HD11 LEU 31 HD11 LEU 31 10.445 -0.011 1.741 182 HD12 LEU 31 HD12 LEU 31 11.394 -0.085 0.222 183 HD13 LEU 31 HD13 LEU 31 12.166 -0.359 1.769 184 HD21 LEU 31 HD21 LEU 31 9.272 -2.924 0.024 185 HD22 LEU 31 HD22 LEU 31 9.866 -1.448 -0.790 186 HD23 LEU 31 HD23 LEU 31 8.889 -1.316 0.678 187 H ASN 32 H ASN 32 13.390 -4.542 -0.915 188 HA ASN 32 HA ASN 32 16.246 -3.986 -1.329 189 HB3 ASN 32 HB3 ASN 32 15.571 -6.749 -2.106 190 HD21 ASN 32 HD22 ASN 32 17.301 -8.276 -1.256 191 HD22 ASN 32 HD21 ASN 32 18.878 -7.564 -1.034 192 HA PRO 33 HA PRO 33 15.076 -2.942 -5.216 193 HB3 PRO 33 HB3 PRO 33 17.165 -2.720 -6.067 194 HG3 PRO 33 HG3 PRO 33 18.864 -4.153 -5.347 195 HD3 PRO 33 HD3 PRO 33 17.830 -3.917 -3.268 196 H HIS 34 H HIS 34 15.268 -6.479 -5.055 197 HA HIS 34 HA HIS 34 13.084 -6.757 -7.046 198 HB3 HIS 34 HB3 HIS 34 13.724 -9.256 -6.659 199 HD1 HIS 34 HD1 HIS 34 13.908 -9.578 -9.210 200 HD2 HIS 34 HD2 HIS 34 16.474 -6.628 -7.628 201 HE1 HIS 34 HE1 HIS 34 15.310 -8.673 -11.170 202 H SER 35 H SER 35 12.675 -5.803 -3.977 203 HA SER 35 HA SER 35 11.239 -8.025 -2.914 204 HB3 SER 35 HB3 SER 35 12.289 -6.255 -1.544 205 HG SER 35 HG SER 35 10.153 -4.583 -2.104 206 H THR 36 H THR 36 8.918 -7.936 -2.627 207 HA THR 36 HA THR 36 7.523 -6.867 -5.034 208 HB THR 36 HB THR 36 6.077 -9.000 -4.601 209 HG1 THR 36 HG1 THR 36 7.323 -10.693 -3.701 210 HG21 THR 36 HG21 THR 36 7.664 -10.306 -5.980 211 HG22 THR 36 HG22 THR 36 8.937 -9.102 -5.655 212 HG23 THR 36 HG23 THR 36 7.457 -8.651 -6.537 213 H MET 37 H MET 37 5.275 -6.456 -4.899 214 HA MET 37 HA MET 37 4.451 -5.022 -2.559 215 HB3 MET 37 HB3 MET 37 3.801 -4.996 -5.138 216 HG3 MET 37 HG3 MET 37 1.201 -6.072 -4.135 217 HE1 MET 37 HE1 MET 37 0.943 -3.575 -7.373 218 HE2 MET 37 HE2 MET 37 0.509 -3.714 -5.670 219 HE3 MET 37 HE3 MET 37 2.197 -3.444 -6.127 220 H ASP 38 H ASP 38 4.388 -8.310 -3.508 221 HA ASP 38 HA ASP 38 2.184 -9.354 -2.230 222 HB3 ASP 38 HB3 ASP 38 3.690 -11.514 -2.329 223 H SER 39 H SER 39 5.499 -8.906 -1.040 224 HA SER 39 HA SER 39 5.539 -10.076 1.417 225 HB3 SER 39 HB3 SER 39 6.656 -7.290 0.860 226 HG SER 39 HG SER 39 8.573 -8.761 1.501 227 H ILE 40 H ILE 40 3.802 -7.131 0.499 228 HA ILE 40 HA ILE 40 3.140 -6.546 3.305 229 HB ILE 40 HB ILE 40 2.268 -5.161 0.738 230 HG13 ILE 40 HG13 ILE 40 4.588 -4.614 2.615 231 HG21 ILE 40 HG21 ILE 40 2.110 -4.173 3.618 232 HG22 ILE 40 HG22 ILE 40 1.448 -3.411 2.145 233 HG23 ILE 40 HG23 ILE 40 0.743 -4.895 2.746 234 HD11 ILE 40 HD11 ILE 40 5.729 -3.862 0.550 235 HD12 ILE 40 HD12 ILE 40 5.208 -5.540 0.368 236 HD13 ILE 40 HD13 ILE 40 4.284 -4.234 -0.403 237 H LEU 41 H LEU 41 1.566 -7.612 0.252 238 HA LEU 41 HA LEU 41 -1.083 -7.655 1.215 239 HB3 LEU 41 HB3 LEU 41 -1.498 -9.399 -0.579 240 HG LEU 41 HG LEU 41 -0.017 -6.873 -1.408 241 HD11 LEU 41 HD11 LEU 41 0.032 -8.545 -3.188 242 HD12 LEU 41 HD12 LEU 41 -1.092 -7.233 -3.610 243 HD13 LEU 41 HD13 LEU 41 -1.719 -8.787 -2.994 244 HD21 LEU 41 HD21 LEU 41 -2.226 -5.917 -1.807 245 HD22 LEU 41 HD22 LEU 41 -2.255 -6.545 -0.147 246 HD23 LEU 41 HD23 LEU 41 -3.013 -7.456 -1.432 247 H GLY 42 H GLY 42 1.211 -10.407 1.084 248 HA2 GLY 42 HA2 GLY 42 -0.750 -12.265 1.860 249 HA3 GLY 42 HA3 GLY 42 0.992 -12.548 1.881 250 H ALA 43 H ALA 43 1.222 -10.208 3.930 251 HA ALA 43 HA ALA 43 0.794 -11.892 6.328 252 HB1 ALA 43 HB1 ALA 43 2.798 -10.546 6.395 253 HB2 ALA 43 HB2 ALA 43 1.922 -9.074 5.975 254 HB3 ALA 43 HB3 ALA 43 1.677 -9.848 7.554 255 H LEU 44 H LEU 44 -0.433 -8.768 4.981 256 HA LEU 44 HA LEU 44 -2.039 -8.493 7.415 257 HB3 LEU 44 HB3 LEU 44 -2.563 -6.243 6.528 258 HG LEU 44 HG LEU 44 -0.731 -5.191 7.154 259 HD11 LEU 44 HD11 LEU 44 -0.877 -6.902 8.893 260 HD12 LEU 44 HD12 LEU 44 0.815 -6.499 8.600 261 HD13 LEU 44 HD13 LEU 44 0.170 -7.999 7.961 262 HD21 LEU 44 HD21 LEU 44 1.555 -5.547 6.517 263 HD22 LEU 44 HD22 LEU 44 0.523 -5.545 5.083 264 HD23 LEU 44 HD23 LEU 44 1.142 -7.071 5.731 265 H ALA 45 H ALA 45 -2.658 -9.900 4.462 266 HA ALA 45 HA ALA 45 -4.934 -9.010 3.484 267 HB1 ALA 45 HB1 ALA 45 -5.446 -11.329 2.722 268 HB2 ALA 45 HB2 ALA 45 -3.760 -10.829 2.485 269 HB3 ALA 45 HB3 ALA 45 -4.171 -11.920 3.813 270 HA PRO 46 HA PRO 46 -8.131 -11.168 6.214 271 HB3 PRO 46 HB3 PRO 46 -7.453 -13.132 7.217 272 HG3 PRO 46 HG3 PRO 46 -5.207 -13.402 7.963 273 HD3 PRO 46 HD3 PRO 46 -5.101 -12.678 5.692 274 H TYR 47 H TYR 47 -5.597 -9.246 7.808 275 HA TYR 47 HA TYR 47 -7.406 -8.101 9.801 276 HB3 TYR 47 HB3 TYR 47 -5.581 -7.167 10.749 277 HD1 TYR 47 HD2 TYR 47 -6.169 -10.069 10.903 278 HD2 TYR 47 HD1 TYR 47 -2.676 -8.004 9.482 279 HE1 TYR 47 HE2 TYR 47 -4.829 -12.107 11.277 280 HE2 TYR 47 HE1 TYR 47 -1.308 -10.039 9.845 281 HH TYR 47 HH TYR 47 -2.735 -13.114 10.974 282 H ALA 48 H ALA 48 -7.240 -7.625 6.539 283 HA ALA 48 HA ALA 48 -7.913 -4.743 6.632 284 HB1 ALA 48 HB1 ALA 48 -6.201 -4.325 4.906 285 HB2 ALA 48 HB2 ALA 48 -5.433 -5.027 6.333 286 HB3 ALA 48 HB3 ALA 48 -5.747 -6.044 4.908 287 H VAL 49 H VAL 49 -8.482 -3.998 4.389 288 HA VAL 49 HA VAL 49 -9.578 -6.043 2.583 289 HB VAL 49 HB VAL 49 -11.411 -5.357 3.864 290 HG11 VAL 49 HG11 VAL 49 -10.859 -2.464 3.156 291 HG12 VAL 49 HG12 VAL 49 -12.309 -3.092 3.946 292 HG13 VAL 49 HG13 VAL 49 -10.737 -3.224 4.759 293 HG21 VAL 49 HG21 VAL 49 -11.683 -5.753 1.427 294 HG22 VAL 49 HG22 VAL 49 -12.897 -4.629 2.060 295 HG23 VAL 49 HG23 VAL 49 -11.535 -4.007 1.132 296 H LEU 50 H LEU 50 -7.568 -5.775 1.494 297 HA LEU 50 HA LEU 50 -7.594 -3.512 -0.345 298 HB3 LEU 50 HB3 LEU 50 -6.426 -2.389 1.262 299 HG LEU 50 HG LEU 50 -5.615 -4.258 2.768 300 HD11 LEU 50 HD11 LEU 50 -3.369 -4.408 0.705 301 HD12 LEU 50 HD12 LEU 50 -4.465 -5.731 1.159 302 HD13 LEU 50 HD13 LEU 50 -3.315 -5.108 2.340 303 HD21 LEU 50 HD21 LEU 50 -5.001 -1.885 2.961 304 HD22 LEU 50 HD22 LEU 50 -3.703 -2.106 1.774 305 HD23 LEU 50 HD23 LEU 50 -3.622 -2.910 3.367 306 H SER 51 H SER 51 -5.707 -3.619 -1.839 307 HA SER 51 HA SER 51 -4.773 -6.300 -2.504 308 HB3 SER 51 HB3 SER 51 -6.575 -4.824 -4.470 309 HG SER 51 HG SER 51 -5.952 -7.589 -4.382 310 H SER 52 H SER 52 -3.921 -5.752 -5.095 311 HA SER 52 HA SER 52 -1.605 -4.180 -4.628 312 HB3 SER 52 HB3 SER 52 -1.542 -5.985 -6.151 313 HG SER 52 HG SER 52 -2.963 -6.387 -7.554 314 H SER 53 H SER 53 -4.793 -3.219 -5.768 315 HA SER 53 HA SER 53 -4.324 -0.698 -6.881 316 HB3 SER 53 HB3 SER 53 -6.524 -0.155 -5.691 317 HG SER 53 HG SER 53 -7.612 -1.456 -7.100 318 H ASN 54 H ASN 54 -4.172 -1.625 -3.462 319 HA ASN 54 HA ASN 54 -3.959 1.124 -2.489 320 HB3 ASN 54 HB3 ASN 54 -3.378 0.028 -0.337 321 HD21 ASN 54 HD22 ASN 54 -5.234 0.769 0.655 322 HD22 ASN 54 HD21 ASN 54 -6.801 0.094 0.363 323 H VAL 55 H VAL 55 -1.771 -1.687 -2.733 324 HA VAL 55 HA VAL 55 0.468 -0.238 -1.651 325 HB VAL 55 HB VAL 55 -0.006 -2.407 -0.867 326 HG11 VAL 55 HG11 VAL 55 -1.139 -3.500 -2.557 327 HG12 VAL 55 HG12 VAL 55 0.202 -3.304 -3.696 328 HG13 VAL 55 HG13 VAL 55 0.353 -4.438 -2.342 329 HG21 VAL 55 HG21 VAL 55 2.158 -3.532 -1.129 330 HG22 VAL 55 HG22 VAL 55 2.553 -2.470 -2.496 331 HG23 VAL 55 HG23 VAL 55 2.346 -1.803 -0.845 332 H ARG 56 H ARG 56 0.936 1.272 -2.999 333 HA ARG 56 HA ARG 56 1.510 0.717 -5.815 334 HB3 ARG 56 HB3 ARG 56 1.828 3.429 -4.433 335 HG3 ARG 56 HG3 ARG 56 2.612 3.155 -6.848 336 HD3 ARG 56 HD3 ARG 56 -0.200 2.088 -7.033 337 HE ARG 56 HE ARG 56 0.735 4.027 -8.967 338 HH11 ARG 56 HH11 ARG 56 -1.250 1.110 -8.525 339 HH12 ARG 56 HH12 ARG 56 -2.528 1.674 -9.545 340 HH21 ARG 56 HH22 ARG 56 -0.744 4.551 -10.691 341 HH22 ARG 56 HH21 ARG 56 -2.153 3.580 -10.901 342 H VAL 57 H VAL 57 3.355 -0.402 -6.054 343 HA VAL 57 HA VAL 57 5.696 0.075 -4.472 344 HB VAL 57 HB VAL 57 5.353 -1.450 -7.092 345 HG11 VAL 57 HG11 VAL 57 7.506 -2.579 -6.265 346 HG12 VAL 57 HG12 VAL 57 7.702 -0.920 -6.837 347 HG13 VAL 57 HG13 VAL 57 7.653 -1.241 -5.103 348 HG21 VAL 57 HG21 VAL 57 5.429 -2.379 -4.181 349 HG22 VAL 57 HG22 VAL 57 4.009 -2.392 -5.243 350 HG23 VAL 57 HG23 VAL 57 5.391 -3.434 -5.610 351 H ILE 58 H ILE 58 6.565 2.066 -4.580 352 HA ILE 58 HA ILE 58 6.868 3.494 -7.071 353 HB ILE 58 HB ILE 58 8.292 4.145 -4.460 354 HG13 ILE 58 HG13 ILE 58 6.383 5.555 -3.818 355 HG21 ILE 58 HG21 ILE 58 7.300 5.862 -6.787 356 HG22 ILE 58 HG22 ILE 58 8.031 6.487 -5.296 357 HG23 ILE 58 HG23 ILE 58 8.979 5.477 -6.392 358 HD11 ILE 58 HD11 ILE 58 4.890 4.176 -6.100 359 HD12 ILE 58 HD12 ILE 58 4.097 4.989 -4.760 360 HD13 ILE 58 HD13 ILE 58 5.126 5.924 -5.851 361 H LYS 59 H LYS 59 8.129 2.881 -8.572 362 HA LYS 59 HA LYS 59 10.633 1.404 -7.965 363 HB3 LYS 59 HB3 LYS 59 10.534 0.672 -10.322 364 HG3 LYS 59 HG3 LYS 59 7.827 0.365 -8.945 365 HD3 LYS 59 HD3 LYS 59 7.839 -1.896 -9.915 366 HE3 LYS 59 HE3 LYS 59 8.159 0.146 -12.153 367 HZ1 LYS 59 HZ1 LYS 59 7.730 -2.114 -12.902 368 HZ2 LYS 59 HZ2 LYS 59 6.386 -1.211 -13.133 369 HZ3 LYS 59 HZ3 LYS 59 6.453 -2.267 -11.882 370 H ASP 60 H ASP 60 12.543 1.891 -9.169 371 HA ASP 60 HA ASP 60 13.132 4.714 -9.617 372 HB3 ASP 60 HB3 ASP 60 14.565 2.105 -10.226 373 H LYS 61 H LYS 61 13.476 5.670 -11.679 374 HA LYS 61 HA LYS 61 11.572 4.702 -13.676 375 HB3 LYS 61 HB3 LYS 61 13.179 7.230 -13.369 376 HG3 LYS 61 HG3 LYS 61 12.852 6.849 -15.736 377 HD3 LYS 61 HD3 LYS 61 9.910 6.358 -15.044 378 HE3 LYS 61 HE3 LYS 61 10.098 6.053 -17.767 379 HZ1 LYS 61 HZ1 LYS 61 9.308 8.492 -16.310 380 HZ2 LYS 61 HZ2 LYS 61 8.344 7.259 -16.802 381 HZ3 LYS 61 HZ3 LYS 61 9.043 8.268 -17.912 382 H GLN 62 H GLN 62 15.100 5.172 -13.118 383 HA GLN 62 HA GLN 62 15.881 4.929 -15.848 384 HB3 GLN 62 HB3 GLN 62 18.096 4.836 -15.049 385 HG3 GLN 62 HG3 GLN 62 16.603 6.450 -12.927 386 HE21 GLN 62 HE22 GLN 62 17.878 8.098 -11.893 387 HE22 GLN 62 HE21 GLN 62 19.615 7.895 -11.909 388 H THR 63 H THR 63 15.845 2.691 -13.109 389 HA THR 63 HA THR 63 16.327 0.360 -14.883 390 HB THR 63 HB THR 63 17.038 -0.764 -12.841 391 HG1 THR 63 HG1 THR 63 16.517 1.689 -11.495 392 HG21 THR 63 HG21 THR 63 18.700 0.642 -14.014 393 HG22 THR 63 HG22 THR 63 19.008 0.565 -12.265 394 HG23 THR 63 HG23 THR 63 18.286 2.019 -12.976 395 H GLN 64 H GLN 64 15.166 -1.616 -13.228 396 HA GLN 64 HA GLN 64 12.302 -0.855 -13.118 397 HB3 GLN 64 HB3 GLN 64 11.807 -3.196 -13.925 398 HG3 GLN 64 HG3 GLN 64 12.517 -2.876 -16.316 399 HE21 GLN 64 HE22 GLN 64 12.297 0.488 -15.379 400 HE22 GLN 64 HE21 GLN 64 10.594 0.694 -15.576 401 H LEU 65 H LEU 65 13.687 -0.434 -10.913 402 HA LEU 65 HA LEU 65 13.508 -2.885 -9.207 403 HB3 LEU 65 HB3 LEU 65 15.465 -2.074 -8.022 404 HG LEU 65 HG LEU 65 16.098 -2.096 -11.000 405 HD11 LEU 65 HD11 LEU 65 18.359 -2.746 -10.261 406 HD12 LEU 65 HD12 LEU 65 17.844 -2.567 -8.563 407 HD13 LEU 65 HD13 LEU 65 17.868 -1.164 -9.642 408 HD21 LEU 65 HD21 LEU 65 15.026 -4.178 -10.600 409 HD22 LEU 65 HD22 LEU 65 15.857 -4.425 -9.062 410 HD23 LEU 65 HD23 LEU 65 16.744 -4.523 -10.592 411 H ASN 66 H ASN 66 13.217 -2.358 -6.951 412 HA ASN 66 HA ASN 66 11.181 -0.285 -6.470 413 HB3 ASN 66 HB3 ASN 66 11.612 -0.859 -4.023 414 HD21 ASN 66 HD22 ASN 66 12.123 -3.979 -5.685 415 HD22 ASN 66 HD21 ASN 66 10.525 -4.542 -5.287 416 H ARG 67 H ARG 67 11.482 1.650 -5.096 417 HA ARG 67 HA ARG 67 14.220 2.748 -5.217 418 HB3 ARG 67 HB3 ARG 67 12.886 4.820 -4.224 419 HG3 ARG 67 HG3 ARG 67 12.740 3.611 -6.972 420 HD3 ARG 67 HD3 ARG 67 10.961 5.172 -7.033 421 HE ARG 67 HE ARG 67 10.869 7.124 -5.935 422 HH11 ARG 67 HH11 ARG 67 14.342 6.738 -6.610 423 HH12 ARG 67 HH12 ARG 67 14.796 8.084 -5.645 424 HH21 ARG 67 HH22 ARG 67 11.388 8.951 -4.997 425 HH22 ARG 67 HH21 ARG 67 13.002 9.491 -4.686 426 H GLY 68 H GLY 68 13.205 0.607 -3.007 427 HA2 GLY 68 HA2 GLY 68 13.807 0.238 -0.833 428 HA3 GLY 68 HA3 GLY 68 14.819 1.669 -0.869 429 H PHE 69 H PHE 69 11.435 2.037 -1.780 430 HA PHE 69 HA PHE 69 10.479 1.934 0.860 431 HB3 PHE 69 HB3 PHE 69 11.157 4.240 0.829 432 HD1 PHE 69 HD1 PHE 69 11.915 4.943 -1.637 433 HD2 PHE 69 HD2 PHE 69 7.853 5.121 -0.199 434 HE1 PHE 69 HE1 PHE 69 11.362 6.646 -3.361 435 HE2 PHE 69 HE2 PHE 69 7.337 6.879 -1.812 436 HZ PHE 69 HZ PHE 69 9.084 7.656 -3.437 437 H ALA 70 H ALA 70 7.951 2.457 0.633 438 HA ALA 70 HA ALA 70 6.831 1.887 -2.005 439 HB1 ALA 70 HB1 ALA 70 5.276 0.297 -0.290 440 HB2 ALA 70 HB2 ALA 70 6.406 -0.288 -1.524 441 HB3 ALA 70 HB3 ALA 70 6.925 -0.127 0.170 442 H PHE 71 H PHE 71 4.395 2.231 -1.848 443 HA PHE 71 HA PHE 71 3.593 3.971 0.425 444 HB3 PHE 71 HB3 PHE 71 1.985 4.854 -1.458 445 HD1 PHE 71 HD1 PHE 71 3.060 6.039 0.896 446 HD2 PHE 71 HD2 PHE 71 4.376 6.470 -3.178 447 HE1 PHE 71 HE1 PHE 71 3.985 8.241 1.427 448 HE2 PHE 71 HE2 PHE 71 5.335 8.683 -2.640 449 HZ PHE 71 HZ PHE 71 5.161 9.580 -0.319 450 H ILE 72 H ILE 72 1.406 3.706 1.088 451 HA ILE 72 HA ILE 72 -0.294 1.823 -0.397 452 HB ILE 72 HB ILE 72 0.076 1.662 2.599 453 HG13 ILE 72 HG13 ILE 72 2.067 0.671 1.425 454 HG21 ILE 72 HG21 ILE 72 -1.496 -0.192 2.505 455 HG22 ILE 72 HG22 ILE 72 -2.219 1.061 1.512 456 HG23 ILE 72 HG23 ILE 72 -1.371 -0.284 0.743 457 HD11 ILE 72 HD11 ILE 72 2.115 -1.371 2.695 458 HD12 ILE 72 HD12 ILE 72 1.324 -0.117 3.665 459 HD13 ILE 72 HD13 ILE 72 0.359 -1.375 2.891 460 H GLN 73 H GLN 73 -2.270 2.796 -0.592 461 HA GLN 73 HA GLN 73 -2.964 5.234 0.957 462 HB3 GLN 73 HB3 GLN 73 -4.162 3.756 -1.431 463 HG3 GLN 73 HG3 GLN 73 -4.809 6.638 -0.767 464 HE21 GLN 73 HE22 GLN 73 -6.043 7.502 -2.514 465 HE22 GLN 73 HE21 GLN 73 -6.800 6.492 -3.730 466 H LEU 74 H LEU 74 -4.597 5.301 2.461 467 HA LEU 74 HA LEU 74 -6.757 3.488 2.546 468 HB3 LEU 74 HB3 LEU 74 -5.244 1.899 3.446 469 HG LEU 74 HG LEU 74 -4.177 3.719 5.509 470 HD11 LEU 74 HD11 LEU 74 -3.134 1.587 6.356 471 HD12 LEU 74 HD12 LEU 74 -4.049 0.697 5.120 472 HD13 LEU 74 HD13 LEU 74 -4.894 1.509 6.426 473 HD21 LEU 74 HD21 LEU 74 -2.028 2.524 4.551 474 HD22 LEU 74 HD22 LEU 74 -2.719 3.866 3.645 475 HD23 LEU 74 HD23 LEU 74 -3.052 2.178 3.171 476 H SER 75 H SER 75 -8.340 4.270 4.059 477 HA SER 75 HA SER 75 -8.300 7.046 4.594 478 HB3 SER 75 HB3 SER 75 -10.225 6.456 6.178 479 HG SER 75 HG SER 75 -10.783 5.113 3.821 480 H THR 76 H THR 76 -8.247 8.195 6.622 481 HA THR 76 HA THR 76 -6.067 7.761 8.155 482 HB THR 76 HB THR 76 -8.384 9.071 9.568 483 HG1 THR 76 HG1 THR 76 -8.791 9.717 7.508 484 HG21 THR 76 HG21 THR 76 -5.523 9.899 8.914 485 HG22 THR 76 HG22 THR 76 -6.089 9.263 10.479 486 HG23 THR 76 HG23 THR 76 -6.648 10.841 9.888 487 H ILE 77 H ILE 77 -9.238 6.318 8.822 488 HA ILE 77 HA ILE 77 -8.869 5.430 11.488 489 HB ILE 77 HB ILE 77 -10.359 4.218 9.127 490 HG13 ILE 77 HG13 ILE 77 -11.050 6.520 10.126 491 HG21 ILE 77 HG21 ILE 77 -10.036 2.347 10.550 492 HG22 ILE 77 HG22 ILE 77 -10.187 3.318 12.022 493 HG23 ILE 77 HG23 ILE 77 -11.619 2.979 11.053 494 HD11 ILE 77 HD11 ILE 77 -13.413 6.039 10.019 495 HD12 ILE 77 HD12 ILE 77 -12.561 5.169 8.724 496 HD13 ILE 77 HD13 ILE 77 -13.126 4.302 10.172 497 H GLU 78 H GLU 78 -8.173 3.780 8.361 498 HA GLU 78 HA GLU 78 -6.964 1.576 9.752 499 HB3 GLU 78 HB3 GLU 78 -6.712 0.616 7.541 500 HG3 GLU 78 HG3 GLU 78 -9.422 1.977 7.662 501 H ALA 79 H ALA 79 -5.806 4.451 8.013 502 HA ALA 79 HA ALA 79 -3.197 3.543 7.452 503 HB1 ALA 79 HB1 ALA 79 -2.652 5.911 7.133 504 HB2 ALA 79 HB2 ALA 79 -4.270 5.647 6.475 505 HB3 ALA 79 HB3 ALA 79 -4.083 6.432 8.049 506 H ALA 80 H ALA 80 -4.856 5.009 10.204 507 HA ALA 80 HA ALA 80 -2.581 5.263 11.889 508 HB1 ALA 80 HB1 ALA 80 -4.539 6.666 12.229 509 HB2 ALA 80 HB2 ALA 80 -5.550 5.247 12.541 510 HB3 ALA 80 HB3 ALA 80 -4.266 5.682 13.671 511 H GLN 81 H GLN 81 -5.468 3.010 12.127 512 HA GLN 81 HA GLN 81 -4.402 1.847 14.401 513 HB3 GLN 81 HB3 GLN 81 -6.828 1.956 13.511 514 HG3 GLN 81 HG3 GLN 81 -6.083 -0.795 12.457 515 HE21 GLN 81 HE22 GLN 81 -8.072 -0.782 10.441 516 HE22 GLN 81 HE21 GLN 81 -9.631 -0.935 11.161 517 H LEU 82 H LEU 82 -3.922 0.887 11.050 518 HA LEU 82 HA LEU 82 -3.239 -1.858 11.470 519 HB3 LEU 82 HB3 LEU 82 -1.760 -1.274 9.294 520 HG LEU 82 HG LEU 82 -3.824 -1.262 7.833 521 HD11 LEU 82 HD11 LEU 82 -4.369 -3.695 8.372 522 HD12 LEU 82 HD12 LEU 82 -3.347 -3.507 9.797 523 HD13 LEU 82 HD13 LEU 82 -2.635 -3.314 8.189 524 HD21 LEU 82 HD21 LEU 82 -5.975 -1.920 8.765 525 HD22 LEU 82 HD22 LEU 82 -5.469 -0.355 9.423 526 HD23 LEU 82 HD23 LEU 82 -5.323 -1.839 10.403 527 H LEU 83 H LEU 83 -1.281 1.140 11.470 528 HA LEU 83 HA LEU 83 1.276 0.026 11.536 529 HB3 LEU 83 HB3 LEU 83 0.270 2.454 13.077 530 HG LEU 83 HG LEU 83 2.606 1.914 13.680 531 HD11 LEU 83 HD11 LEU 83 3.164 2.135 10.691 532 HD12 LEU 83 HD12 LEU 83 3.349 0.662 11.689 533 HD13 LEU 83 HD13 LEU 83 4.394 2.047 11.975 534 HD21 LEU 83 HD21 LEU 83 1.899 4.265 13.497 535 HD22 LEU 83 HD22 LEU 83 2.332 4.268 11.772 536 HD23 LEU 83 HD23 LEU 83 3.583 4.107 12.977 537 H GLN 84 H GLN 84 -1.025 0.432 14.268 538 HA GLN 84 HA GLN 84 0.988 -0.183 16.240 539 HB3 GLN 84 HB3 GLN 84 -1.996 -0.325 16.718 540 HG3 GLN 84 HG3 GLN 84 0.288 0.993 18.253 541 HE21 GLN 84 HE22 GLN 84 -1.219 2.905 18.418 542 HE22 GLN 84 HE21 GLN 84 -2.501 2.801 19.611 543 H ILE 85 H ILE 85 -1.134 -2.131 14.268 544 HA ILE 85 HA ILE 85 -1.019 -4.526 15.995 545 HB ILE 85 HB ILE 85 -2.109 -4.017 13.211 546 HG13 ILE 85 HG13 ILE 85 -3.284 -2.892 15.205 547 HG21 ILE 85 HG21 ILE 85 -3.229 -6.269 13.504 548 HG22 ILE 85 HG22 ILE 85 -1.485 -6.390 13.413 549 HG23 ILE 85 HG23 ILE 85 -2.299 -6.503 14.994 550 HD11 ILE 85 HD11 ILE 85 -4.976 -4.959 13.778 551 HD12 ILE 85 HD12 ILE 85 -5.495 -3.450 14.535 552 HD13 ILE 85 HD13 ILE 85 -4.466 -3.395 13.094 553 H LEU 86 H LEU 86 0.334 -3.145 13.045 554 HA LEU 86 HA LEU 86 1.749 -5.390 12.088 555 HB3 LEU 86 HB3 LEU 86 3.098 -3.221 11.076 556 HG LEU 86 HG LEU 86 1.866 -4.939 9.794 557 HD11 LEU 86 HD11 LEU 86 -0.356 -4.839 10.967 558 HD12 LEU 86 HD12 LEU 86 -0.531 -4.573 9.240 559 HD13 LEU 86 HD13 LEU 86 -0.599 -3.211 10.307 560 HD21 LEU 86 HD21 LEU 86 1.255 -3.447 7.943 561 HD22 LEU 86 HD22 LEU 86 2.767 -2.938 8.740 562 HD23 LEU 86 HD23 LEU 86 1.251 -2.050 9.054 563 H GLN 87 H GLN 87 2.666 -3.050 14.511 564 HA GLN 87 HA GLN 87 5.469 -3.337 14.582 565 HB3 GLN 87 HB3 GLN 87 5.093 -2.739 17.073 566 HG3 GLN 87 HG3 GLN 87 3.919 -0.538 16.491 567 HE21 GLN 87 HE22 GLN 87 4.979 0.772 14.315 568 HE22 GLN 87 HE21 GLN 87 6.737 0.742 14.329 569 H ALA 88 H ALA 88 3.268 -5.860 15.041 570 HA ALA 88 HA ALA 88 5.025 -7.274 16.990 571 HB1 ALA 88 HB1 ALA 88 2.909 -6.473 17.977 572 HB2 ALA 88 HB2 ALA 88 1.999 -7.355 16.731 573 HB3 ALA 88 HB3 ALA 88 2.989 -8.239 17.920 574 H LEU 89 H LEU 89 4.471 -7.332 13.737 575 HA LEU 89 HA LEU 89 4.745 -10.253 13.638 576 HB3 LEU 89 HB3 LEU 89 2.318 -9.772 13.408 577 HG LEU 89 HG LEU 89 2.995 -7.666 11.666 578 HD11 LEU 89 HD11 LEU 89 1.976 -9.948 9.966 579 HD12 LEU 89 HD12 LEU 89 3.604 -9.228 9.886 580 HD13 LEU 89 HD13 LEU 89 2.206 -8.248 9.481 581 HD21 LEU 89 HD21 LEU 89 0.581 -7.554 11.188 582 HD22 LEU 89 HD22 LEU 89 0.885 -7.876 12.901 583 HD23 LEU 89 HD23 LEU 89 0.367 -9.198 11.828 584 H HIS 90 H HIS 90 5.405 -11.014 11.459 585 HA HIS 90 HA HIS 90 6.844 -8.966 9.868 586 HB3 HIS 90 HB3 HIS 90 8.648 -10.823 9.616 587 HD1 HIS 90 HD1 HIS 90 9.119 -10.875 13.167 588 HD2 HIS 90 HD2 HIS 90 9.131 -7.947 10.144 589 HE1 HIS 90 HE1 HIS 90 10.454 -8.884 14.084 590 HA PRO 91 HA PRO 91 4.887 -10.703 6.522 591 HB3 PRO 91 HB3 PRO 91 5.714 -8.872 5.431 592 HG3 PRO 91 HG3 PRO 91 8.025 -8.254 5.568 593 HD3 PRO 91 HD3 PRO 91 7.136 -8.344 7.747 594 HA PRO 92 HA PRO 92 6.054 -14.765 5.102 595 HB3 PRO 92 HB3 PRO 92 3.773 -14.924 4.623 596 HG3 PRO 92 HG3 PRO 92 2.655 -13.199 3.380 597 HD3 PRO 92 HD3 PRO 92 3.526 -12.288 5.364 598 H LEU 93 H LEU 93 7.359 -12.152 3.623 599 HA LEU 93 HA LEU 93 8.858 -13.748 1.628 600 HB3 LEU 93 HB3 LEU 93 8.982 -11.193 0.624 601 HG LEU 93 HG LEU 93 7.318 -13.551 -0.103 602 HD11 LEU 93 HD11 LEU 93 6.036 -12.440 -1.804 603 HD12 LEU 93 HD12 LEU 93 6.619 -10.860 -1.230 604 HD13 LEU 93 HD13 LEU 93 5.588 -11.893 -0.189 605 HD21 LEU 93 HD21 LEU 93 9.615 -13.066 -1.006 606 HD22 LEU 93 HD22 LEU 93 8.980 -11.572 -1.736 607 HD23 LEU 93 HD23 LEU 93 8.390 -13.162 -2.278 608 H THR 94 H THR 94 11.076 -13.311 1.854 609 HA THR 94 HA THR 94 11.939 -10.974 3.383 610 HB THR 94 HB THR 94 12.815 -13.707 4.166 611 HG1 THR 94 HG1 THR 94 10.742 -13.552 5.009 612 HG21 THR 94 HG21 THR 94 13.222 -11.095 5.637 613 HG22 THR 94 HG22 THR 94 14.411 -11.872 4.571 614 HG23 THR 94 HG23 THR 94 13.903 -12.676 6.063 615 H ILE 95 H ILE 95 12.370 -10.669 1.193 616 HA ILE 95 HA ILE 95 13.881 -12.458 -0.440 617 HB ILE 95 HB ILE 95 12.311 -10.888 -1.421 618 HG13 ILE 95 HG13 ILE 95 13.327 -10.704 -3.439 619 HG21 ILE 95 HG21 ILE 95 14.343 -8.757 -0.714 620 HG22 ILE 95 HG22 ILE 95 12.996 -8.524 -1.827 621 HG23 ILE 95 HG23 ILE 95 12.685 -8.892 -0.120 622 HD11 ILE 95 HD11 ILE 95 14.954 -8.942 -3.187 623 HD12 ILE 95 HD12 ILE 95 15.997 -9.969 -2.177 624 HD13 ILE 95 HD13 ILE 95 15.750 -10.354 -3.887 625 H ASP 96 H ASP 96 15.919 -12.706 -0.744 626 HA ASP 96 HA ASP 96 18.135 -12.869 -0.192 627 HB3 ASP 96 HB3 ASP 96 17.982 -9.879 -0.497 628 H GLY 97 H GLY 97 16.128 -12.136 2.134 629 HA2 GLY 97 HA2 GLY 97 16.584 -12.638 4.404 630 HA3 GLY 97 HA3 GLY 97 18.228 -12.028 4.243 631 H LYS 98 H LYS 98 15.822 -10.005 2.734 632 HA LYS 98 HA LYS 98 16.236 -7.991 4.886 633 HB3 LYS 98 HB3 LYS 98 15.128 -6.457 3.131 634 HG3 LYS 98 HG3 LYS 98 17.064 -6.669 1.524 635 HD3 LYS 98 HD3 LYS 98 18.765 -6.007 3.485 636 HE3 LYS 98 HE3 LYS 98 16.321 -4.415 2.611 637 HZ1 LYS 98 HZ1 LYS 98 17.316 -3.321 4.483 638 HZ2 LYS 98 HZ2 LYS 98 17.827 -2.520 3.127 639 HZ3 LYS 98 HZ3 LYS 98 18.829 -3.535 3.899 640 H THR 99 H THR 99 14.508 -6.822 5.588 641 HA THR 99 HA THR 99 11.865 -8.184 5.497 642 HB THR 99 HB THR 99 12.939 -7.534 8.219 643 HG1 THR 99 HG1 THR 99 13.990 -9.530 8.323 644 HG21 THR 99 HG21 THR 99 10.626 -8.461 7.781 645 HG22 THR 99 HG22 THR 99 11.606 -9.527 8.791 646 HG23 THR 99 HG23 THR 99 11.375 -9.915 7.073 647 H ILE 100 H ILE 100 10.167 -6.771 5.535 648 HA ILE 100 HA ILE 100 10.886 -4.052 5.002 649 HB ILE 100 HB ILE 100 8.051 -5.065 5.466 650 HG13 ILE 100 HG13 ILE 100 7.845 -5.611 3.087 651 HG21 ILE 100 HG21 ILE 100 8.156 -2.717 5.175 652 HG22 ILE 100 HG22 ILE 100 9.279 -2.832 3.806 653 HG23 ILE 100 HG23 ILE 100 7.600 -3.380 3.634 654 HD11 ILE 100 HD11 ILE 100 10.881 -5.290 2.960 655 HD12 ILE 100 HD12 ILE 100 9.890 -6.154 1.764 656 HD13 ILE 100 HD13 ILE 100 9.657 -4.424 2.002 657 H ASN 101 H ASN 101 10.940 -2.304 6.311 658 HA ASN 101 HA ASN 101 10.167 -2.460 9.168 659 HB3 ASN 101 HB3 ASN 101 10.437 0.145 8.876 660 HD21 ASN 101 HD22 ASN 101 11.993 0.784 10.229 661 HD22 ASN 101 HD21 ASN 101 13.463 -0.108 10.589 662 H VAL 102 H VAL 102 8.335 -1.503 10.018 663 HA VAL 102 HA VAL 102 6.198 -0.694 8.195 664 HB VAL 102 HB VAL 102 4.868 -1.100 10.100 665 HG11 VAL 102 HG11 VAL 102 6.648 -3.473 9.598 666 HG12 VAL 102 HG12 VAL 102 5.065 -3.554 10.348 667 HG13 VAL 102 HG13 VAL 102 5.214 -2.995 8.665 668 HG21 VAL 102 HG21 VAL 102 5.482 -2.134 12.201 669 HG22 VAL 102 HG22 VAL 102 7.197 -1.862 11.806 670 HG23 VAL 102 HG23 VAL 102 6.077 -0.492 12.021 671 H GLU 103 H GLU 103 5.427 1.416 8.407 672 HA GLU 103 HA GLU 103 5.715 3.126 10.582 673 HB3 GLU 103 HB3 GLU 103 7.941 3.558 10.271 674 HG3 GLU 103 HG3 GLU 103 7.686 3.865 7.279 675 H PHE 104 H PHE 104 5.381 5.604 9.024 676 HA PHE 104 HA PHE 104 3.182 5.032 7.285 677 HB3 PHE 104 HB3 PHE 104 2.184 4.753 9.497 678 HD1 PHE 104 HD1 PHE 104 4.604 6.407 10.649 679 HD2 PHE 104 HD2 PHE 104 0.365 7.123 10.292 680 HE1 PHE 104 HE1 PHE 104 4.721 7.922 12.578 681 HE2 PHE 104 HE2 PHE 104 0.547 8.760 12.214 682 HZ PHE 104 HZ PHE 104 2.706 9.157 13.305 683 H ALA 105 H ALA 105 2.096 7.139 6.572 684 HA ALA 105 HA ALA 105 3.875 9.472 6.571 685 HB1 ALA 105 HB1 ALA 105 3.628 9.633 4.081 686 HB2 ALA 105 HB2 ALA 105 4.666 8.312 4.624 687 HB3 ALA 105 HB3 ALA 105 3.006 7.971 4.068 688 H LYS 106 H LYS 106 2.138 10.064 8.015 689 HA LYS 106 HA LYS 106 -0.455 10.698 6.759 690 HB3 LYS 106 HB3 LYS 106 -0.052 11.151 9.642 691 HG3 LYS 106 HG3 LYS 106 -1.847 9.191 8.149 692 HD3 LYS 106 HD3 LYS 106 -3.470 9.952 9.938 693 HE3 LYS 106 HE3 LYS 106 -0.836 8.736 10.809 694 HZ1 LYS 106 HZ1 LYS 106 -2.138 9.699 12.696 695 HZ2 LYS 106 HZ2 LYS 106 -1.819 8.091 12.816 696 HZ3 LYS 106 HZ3 LYS 106 -3.322 8.644 12.398 697 H GLY 107 H GLY 107 -1.327 12.773 8.223 698 HA2 GLY 107 HA2 GLY 107 0.535 15.066 7.859 699 HA3 GLY 107 HA3 GLY 107 -1.102 15.059 7.166 700 H SER 108 H SER 108 -2.729 15.862 8.494 701 HA SER 108 HA SER 108 -2.349 15.841 11.437 702 HB3 SER 108 HB3 SER 108 -3.602 18.072 9.789 703 HG SER 108 HG SER 108 -2.623 18.569 12.323 704 H LYS 109 H LYS 109 -4.510 15.814 12.567 705 HA LYS 109 HA LYS 109 -6.810 15.169 10.828 706 HB3 LYS 109 HB3 LYS 109 -5.973 13.362 13.159 707 HG3 LYS 109 HG3 LYS 109 -7.561 11.830 11.695 708 HD3 LYS 109 HD3 LYS 109 -8.746 13.907 13.573 709 HE3 LYS 109 HE3 LYS 109 -9.913 11.438 12.210 710 HZ1 LYS 109 HZ1 LYS 109 -10.726 11.606 14.482 711 HZ2 LYS 109 HZ2 LYS 109 -11.912 12.001 13.414 712 HZ3 LYS 109 HZ3 LYS 109 -11.138 13.169 14.280 713 H ARG 110 H ARG 110 -8.566 16.298 11.522 714 HA ARG 110 HA ARG 110 -9.009 16.447 14.408 715 HB3 ARG 110 HB3 ARG 110 -8.125 18.696 13.696 716 HG3 ARG 110 HG3 ARG 110 -10.802 18.939 12.244 717 HD3 ARG 110 HD3 ARG 110 -8.424 20.814 12.137 718 HE ARG 110 HE ARG 110 -11.277 20.899 11.371 719 HH11 ARG 110 HH11 ARG 110 -8.139 22.662 11.306 720 HH12 ARG 110 HH12 ARG 110 -8.854 24.116 10.730 721 HH21 ARG 110 HH22 ARG 110 -12.122 22.849 10.445 722 HH22 ARG 110 HH21 ARG 110 -11.145 24.272 10.417 723 H ASP 111 H ASP 111 -11.387 16.780 14.802 724 HA ASP 111 HA ASP 111 -13.358 17.205 13.034 725 HB3 ASP 111 HB3 ASP 111 -12.897 14.212 13.276 726 H MET 112 H MET 112 -15.073 17.818 14.510 727 HA MET 112 HA MET 112 -15.665 16.046 16.711 728 HB3 MET 112 HB3 MET 112 -14.937 18.900 17.439 729 HG3 MET 112 HG3 MET 112 -16.255 17.628 19.156 730 HE1 MET 112 HE1 MET 112 -17.131 15.436 19.740 731 HE2 MET 112 HE2 MET 112 -16.551 14.810 18.179 732 HE3 MET 112 HE3 MET 112 -16.249 13.896 19.661 733 H ALA 113 H ALA 113 -17.709 16.779 17.858 734 HA ALA 113 HA ALA 113 -18.997 19.198 16.925 735 HB1 ALA 113 HB1 ALA 113 -21.061 18.132 16.282 736 HB2 ALA 113 HB2 ALA 113 -19.756 17.503 15.239 737 HB3 ALA 113 HB3 ALA 113 -20.395 16.519 16.570 738 H SER 114 H SER 114 -18.988 19.952 19.039 739 HA SER 114 HA SER 114 -21.126 18.997 20.720 740 HB3 SER 114 HB3 SER 114 -19.308 19.178 22.680 741 HG SER 114 HG SER 114 -20.478 17.277 22.423 742 H ASN 115 H ASN 115 -21.846 20.812 22.002 743 HA ASN 115 HA ASN 115 -20.200 23.272 22.092 744 HB3 ASN 115 HB3 ASN 115 -23.018 23.223 20.949 745 HD21 ASN 115 HD22 ASN 115 -23.170 24.777 23.145 746 HD22 ASN 115 HD21 ASN 115 -22.848 26.453 22.761 747 H GLU 116 H GLU 116 -19.959 22.968 24.288 748 HA GLU 116 HA GLU 116 -22.295 22.530 26.005 749 HB3 GLU 116 HB3 GLU 116 -19.924 23.338 27.496 750 HG3 GLU 116 HG3 GLU 116 -19.939 20.931 28.203 751 H GLY 117 H GLY 117 -22.390 23.972 27.985 752 HA2 GLY 117 HA2 GLY 117 -22.636 26.354 28.726 753 HA3 GLY 117 HA3 GLY 117 -22.970 26.757 27.040 754 H SER 118 H SER 118 -24.211 23.623 27.731 755 HA SER 118 HA SER 118 -26.948 24.798 27.570 756 HB3 SER 118 HB3 SER 118 -25.989 22.115 26.512 757 HG SER 118 HG SER 118 -28.073 22.159 26.176 758 H ARG 119 H ARG 119 -26.073 24.742 30.068 759 HA ARG 119 HA ARG 119 -27.091 22.258 31.344 760 HB3 ARG 119 HB3 ARG 119 -24.289 23.394 31.814 761 HG3 ARG 119 HG3 ARG 119 -23.952 20.961 32.586 762 HD3 ARG 119 HD3 ARG 119 -25.794 22.513 34.434 763 HE ARG 119 HE ARG 119 -24.136 20.264 34.802 764 HH11 ARG 119 HH11 ARG 119 -24.752 23.398 36.275 765 HH12 ARG 119 HH12 ARG 119 -24.331 22.954 37.899 766 HH21 ARG 119 HH22 ARG 119 -23.545 19.585 36.952 767 HH22 ARG 119 HH21 ARG 119 -23.610 20.681 38.284 768 H ILE 120 H ILE 120 -28.835 23.657 31.967 769 HA ILE 120 HA ILE 120 -28.280 25.115 34.467 770 HB ILE 120 HB ILE 120 -30.080 26.208 32.252 771 HG13 ILE 120 HG13 ILE 120 -27.689 26.596 31.729 772 HG21 ILE 120 HG21 ILE 120 -29.419 27.372 35.004 773 HG22 ILE 120 HG22 ILE 120 -30.441 28.138 33.765 774 HG23 ILE 120 HG23 ILE 120 -30.983 26.664 34.521 775 HD11 ILE 120 HD11 ILE 120 -27.650 28.933 31.399 776 HD12 ILE 120 HD12 ILE 120 -29.331 28.412 31.182 777 HD13 ILE 120 HD13 ILE 120 -28.825 29.235 32.680 778 H SER 121 H SER 121 -30.053 24.793 35.982 779 HA SER 121 HA SER 121 -32.589 24.039 35.147 780 HB3 SER 121 HB3 SER 121 -31.230 21.904 36.846 781 HG SER 121 HG SER 121 -33.147 20.800 36.328 782 H ALA 122 H ALA 122 -33.755 23.464 37.395 783 HA ALA 122 HA ALA 122 -32.976 25.407 39.498 784 HB1 ALA 122 HB1 ALA 122 -35.329 23.457 39.327 785 HB2 ALA 122 HB2 ALA 122 -35.086 24.692 40.580 786 HB3 ALA 122 HB3 ALA 122 -35.397 25.185 38.907 787 H ALA 123 H ALA 123 -33.257 24.242 41.779 788 HA ALA 123 HA ALA 123 -31.678 21.706 41.799 789 HB1 ALA 123 HB1 ALA 123 -32.061 23.800 43.990 790 HB2 ALA 123 HB2 ALA 123 -31.216 22.245 44.174 791 HB3 ALA 123 HB3 ALA 123 -30.582 23.475 43.065 792 H SER 124 H SER 124 -33.912 22.989 44.303 793 HA SER 124 HA SER 124 -36.210 21.508 43.495 794 HB3 SER 124 HB3 SER 124 -36.261 20.169 45.683 795 HG SER 124 HG SER 124 -34.583 19.645 43.497 796 H VAL 125 H VAL 125 -37.959 21.943 45.200 797 HA VAL 125 HA VAL 125 -37.392 24.267 46.931 798 HB VAL 125 HB VAL 125 -39.618 24.133 44.848 799 HG11 VAL 125 HG11 VAL 125 -40.342 25.271 46.933 800 HG12 VAL 125 HG12 VAL 125 -38.906 26.319 46.871 801 HG13 VAL 125 HG13 VAL 125 -40.161 26.432 45.618 802 HG21 VAL 125 HG21 VAL 125 -37.160 25.930 44.979 803 HG22 VAL 125 HG22 VAL 125 -37.540 24.726 43.727 804 HG23 VAL 125 HG23 VAL 125 -38.539 26.167 43.883 805 H ALA 126 H ALA 126 -37.561 22.874 48.716 806 HA ALA 126 HA ALA 126 -40.279 22.055 49.414 807 HB1 ALA 126 HB1 ALA 126 -39.514 19.810 50.159 808 HB2 ALA 126 HB2 ALA 126 -39.409 19.993 48.396 809 HB3 ALA 126 HB3 ALA 126 -37.936 20.090 49.394 810 H SER 127 H SER 127 -40.229 23.681 50.978 811 HA SER 127 HA SER 127 -38.241 23.400 53.176 812 HB3 SER 127 HB3 SER 127 -37.320 25.089 51.846 813 HG SER 127 HG SER 127 -38.687 26.849 51.085 814 H THR 128 H THR 128 -41.566 23.455 52.428 815 HA THR 128 HA THR 128 -42.473 25.049 54.662 816 HB THR 128 HB THR 128 -44.682 24.034 53.838 817 HG1 THR 128 HG1 THR 128 -43.879 22.233 52.849 818 HG21 THR 128 HG21 THR 128 -44.752 25.399 51.799 819 HG22 THR 128 HG22 THR 128 -42.980 25.505 51.769 820 HG23 THR 128 HG23 THR 128 -43.897 26.265 53.089 821 H ALA 129 H ALA 129 -41.127 23.893 56.246 822 HA ALA 129 HA ALA 129 -42.240 21.366 57.299 823 HB1 ALA 129 HB1 ALA 129 -39.898 22.007 57.853 824 HB2 ALA 129 HB2 ALA 129 -40.491 23.518 58.593 825 HB3 ALA 129 HB3 ALA 129 -40.913 21.948 59.311 826 H ILE 130 H ILE 130 -43.408 21.476 59.429 827 HA ILE 130 HA ILE 130 -44.665 23.942 60.210 828 HB ILE 130 HB ILE 130 -46.914 22.929 60.367 829 HG13 ILE 130 HG13 ILE 130 -46.192 20.520 60.283 830 HG21 ILE 130 HG21 ILE 130 -47.605 23.346 58.103 831 HG22 ILE 130 HG22 ILE 130 -46.253 24.422 58.461 832 HG23 ILE 130 HG23 ILE 130 -45.987 22.973 57.469 833 HD11 ILE 130 HD11 ILE 130 -48.279 21.140 58.158 834 HD12 ILE 130 HD12 ILE 130 -48.082 19.644 59.083 835 HD13 ILE 130 HD13 ILE 130 -48.586 21.131 59.914 836 H ALA 131 H ALA 131 -46.001 23.260 62.370 837 HA ALA 131 HA ALA 131 -45.181 20.906 63.678 838 HB1 ALA 131 HB1 ALA 131 -44.562 23.645 64.894 839 HB2 ALA 131 HB2 ALA 131 -44.521 22.094 65.752 840 HB3 ALA 131 HB3 ALA 131 -43.345 22.411 64.452 Start of MODEL 17 1 H1 GLN 1 H1 GLN 1 26.697 52.643 53.079 2 HA GLN 1 HA GLN 1 27.460 51.284 51.244 3 HB3 GLN 1 HB3 GLN 1 27.565 50.359 53.478 4 HG3 GLN 1 HG3 GLN 1 25.354 48.390 52.873 5 HE21 GLN 1 HE22 GLN 1 26.410 46.759 54.264 6 HE22 GLN 1 HE21 GLN 1 26.792 47.162 55.916 7 H ALA 2 H ALA 2 24.035 50.087 51.857 8 HA ALA 2 HA ALA 2 22.525 49.283 50.473 9 HB1 ALA 2 HB1 ALA 2 22.326 51.583 49.653 10 HB2 ALA 2 HB2 ALA 2 23.582 51.261 48.427 11 HB3 ALA 2 HB3 ALA 2 22.043 50.391 48.367 12 H GLN 3 H GLN 3 23.753 47.300 50.737 13 HA GLN 3 HA GLN 3 24.599 46.141 48.207 14 HB3 GLN 3 HB3 GLN 3 26.506 44.993 49.434 15 HG3 GLN 3 HG3 GLN 3 26.715 48.020 49.151 16 HE21 GLN 3 HE22 GLN 3 29.379 45.923 48.240 17 HE22 GLN 3 HE21 GLN 3 30.372 46.371 49.615 18 H GLY 4 H GLY 4 24.467 43.697 48.519 19 HA2 GLY 4 HA2 GLY 4 23.513 42.395 50.782 20 HA3 GLY 4 HA3 GLY 4 22.077 42.936 49.884 21 H VAL 5 H VAL 5 21.897 42.299 47.567 22 HA VAL 5 HA VAL 5 23.723 40.173 46.681 23 HB VAL 5 HB VAL 5 21.797 39.009 47.546 24 HG11 VAL 5 HG11 VAL 5 19.516 39.284 46.684 25 HG12 VAL 5 HG12 VAL 5 20.058 40.752 47.498 26 HG13 VAL 5 HG13 VAL 5 20.021 40.686 45.723 27 HG21 VAL 5 HG21 VAL 5 21.123 37.761 45.575 28 HG22 VAL 5 HG22 VAL 5 21.649 39.073 44.506 29 HG23 VAL 5 HG23 VAL 5 22.842 38.167 45.472 30 H LEU 6 H LEU 6 24.365 40.529 44.591 31 HA LEU 6 HA LEU 6 22.998 42.589 42.955 32 HB3 LEU 6 HB3 LEU 6 25.347 43.218 42.176 33 HG LEU 6 HG LEU 6 25.890 44.896 43.676 34 HD11 LEU 6 HD11 LEU 6 22.861 44.679 43.821 35 HD12 LEU 6 HD12 LEU 6 23.786 45.226 42.404 36 HD13 LEU 6 HD13 LEU 6 23.842 46.152 43.912 37 HD21 LEU 6 HD21 LEU 6 25.835 43.567 45.796 38 HD22 LEU 6 HD22 LEU 6 24.074 43.828 45.847 39 HD23 LEU 6 HD23 LEU 6 25.173 45.211 45.907 40 H ALA 7 H ALA 7 22.048 40.667 41.954 41 HA ALA 7 HA ALA 7 23.700 39.664 39.820 42 HB1 ALA 7 HB1 ALA 7 24.214 37.957 41.580 43 HB2 ALA 7 HB2 ALA 7 22.470 37.706 41.838 44 HB3 ALA 7 HB3 ALA 7 23.220 37.262 40.290 45 H SER 8 H SER 8 22.321 38.546 38.206 46 HA SER 8 HA SER 8 19.493 38.385 38.535 47 HB3 SER 8 HB3 SER 8 20.704 40.594 36.805 48 HG SER 8 HG SER 8 18.350 41.069 36.602 49 H GLN 9 H GLN 9 18.659 37.216 36.727 50 HA GLN 9 HA GLN 9 19.887 37.172 34.230 51 HB3 GLN 9 HB3 GLN 9 19.524 34.337 34.677 52 HG3 GLN 9 HG3 GLN 9 22.071 35.915 34.134 53 HE21 GLN 9 HE22 GLN 9 22.955 34.012 35.563 54 HE22 GLN 9 HE21 GLN 9 23.248 32.514 34.683 55 H ALA 10 H ALA 10 18.342 36.068 32.727 56 HA ALA 10 HA ALA 10 15.751 35.203 33.740 57 HB1 ALA 10 HB1 ALA 10 15.396 37.658 33.547 58 HB2 ALA 10 HB2 ALA 10 16.023 37.621 31.880 59 HB3 ALA 10 HB3 ALA 10 14.517 36.776 32.286 60 H LEU 11 H LEU 11 14.927 33.728 32.291 61 HA LEU 11 HA LEU 11 16.255 33.328 29.687 62 HB3 LEU 11 HB3 LEU 11 17.277 31.703 31.291 63 HG LEU 11 HG LEU 11 14.392 30.738 31.669 64 HD11 LEU 11 HD11 LEU 11 16.911 29.086 32.022 65 HD12 LEU 11 HD12 LEU 11 15.680 28.866 30.760 66 HD13 LEU 11 HD13 LEU 11 15.255 28.605 32.454 67 HD21 LEU 11 HD21 LEU 11 16.715 31.120 33.615 68 HD22 LEU 11 HD22 LEU 11 15.127 30.444 34.031 69 HD23 LEU 11 HD23 LEU 11 15.252 32.121 33.525 70 H SER 12 H SER 12 14.814 32.197 28.153 71 HA SER 12 HA SER 12 12.238 31.338 29.030 72 HB3 SER 12 HB3 SER 12 10.875 32.722 27.604 73 HG SER 12 HG SER 12 11.800 33.636 29.663 74 H GLN 13 H GLN 13 11.143 30.144 27.224 75 HA GLN 13 HA GLN 13 12.618 29.642 24.791 76 HB3 GLN 13 HB3 GLN 13 13.897 28.288 26.405 77 HG3 GLN 13 HG3 GLN 13 11.492 26.546 26.957 78 HE21 GLN 13 HE22 GLN 13 13.398 27.639 29.625 79 HE22 GLN 13 HE21 GLN 13 14.432 26.224 29.722 80 H GLY 14 H GLY 14 11.247 28.294 23.305 81 HA2 GLY 14 HA2 GLY 14 8.587 27.528 24.256 82 HA3 GLY 14 HA3 GLY 14 8.693 28.782 23.001 83 H SER 15 H SER 15 8.176 27.741 21.070 84 HA SER 15 HA SER 15 9.621 25.645 19.909 85 HB3 SER 15 HB3 SER 15 8.726 23.952 21.132 86 HG SER 15 HG SER 15 6.363 25.472 21.575 87 H GLU 16 H GLU 16 8.680 25.140 17.889 88 HA GLU 16 HA GLU 16 6.602 26.909 16.758 89 HB3 GLU 16 HB3 GLU 16 9.526 26.921 15.903 90 HG3 GLU 16 HG3 GLU 16 7.750 27.517 14.094 91 HA PRO 17 HA PRO 17 7.139 22.654 14.798 92 HB3 PRO 17 HB3 PRO 17 6.209 21.491 16.569 93 HG3 PRO 17 HG3 PRO 17 4.480 22.458 17.932 94 HD3 PRO 17 HD3 PRO 17 6.370 23.873 18.042 95 H SER 18 H SER 18 7.036 23.781 12.794 96 HA SER 18 HA SER 18 4.562 24.608 11.543 97 HB3 SER 18 HB3 SER 18 6.500 25.520 10.610 98 HG SER 18 HG SER 18 8.268 24.172 9.911 99 H SER 19 H SER 19 3.766 23.388 9.531 100 HA SER 19 HA SER 19 4.458 20.649 9.201 101 HB3 SER 19 HB3 SER 19 3.144 20.084 11.098 102 HG SER 19 HG SER 19 0.721 20.805 10.623 103 H GLU 20 H GLU 20 1.733 22.881 8.776 104 HA GLU 20 HA GLU 20 0.422 23.477 7.095 105 HB3 GLU 20 HB3 GLU 20 2.588 23.255 5.052 106 HG3 GLU 20 HG3 GLU 20 1.222 25.777 6.016 107 H ASN 21 H ASN 21 0.574 20.391 7.392 108 HA ASN 21 HA ASN 21 -0.842 19.793 4.896 109 HB3 ASN 21 HB3 ASN 21 1.317 17.839 5.636 110 HD21 ASN 21 HD22 ASN 21 1.680 19.489 2.682 111 HD22 ASN 21 HD21 ASN 21 1.035 18.260 1.643 112 H ALA 22 H ALA 22 -2.136 17.833 5.138 113 HA ALA 22 HA ALA 22 -1.849 16.225 7.534 114 HB1 ALA 22 HB1 ALA 22 -3.329 17.934 8.415 115 HB2 ALA 22 HB2 ALA 22 -4.411 17.790 7.005 116 HB3 ALA 22 HB3 ALA 22 -4.250 16.439 8.143 117 H ASN 23 H ASN 23 -1.900 14.224 6.679 118 HA ASN 23 HA ASN 23 -4.266 13.351 5.625 119 HB3 ASN 23 HB3 ASN 23 -2.224 12.495 3.604 120 HD21 ASN 23 HD22 ASN 23 -4.986 11.432 4.663 121 HD22 ASN 23 HD21 ASN 23 -5.934 11.571 3.229 122 H ASP 24 H ASP 24 -3.244 10.795 4.632 123 HA ASP 24 HA ASP 24 -1.977 9.522 6.950 124 HB3 ASP 24 HB3 ASP 24 -3.798 8.536 7.791 125 H THR 25 H THR 25 -0.523 8.302 5.770 126 HA THR 25 HA THR 25 -1.508 6.428 3.766 127 HB THR 25 HB THR 25 0.767 8.393 3.182 128 HG1 THR 25 HG1 THR 25 -1.843 8.684 2.830 129 HG21 THR 25 HG21 THR 25 -0.555 6.397 1.304 130 HG22 THR 25 HG22 THR 25 0.964 6.077 2.163 131 HG23 THR 25 HG23 THR 25 0.872 7.399 0.984 132 H ILE 26 H ILE 26 -0.279 4.492 4.150 133 HA ILE 26 HA ILE 26 1.790 4.681 6.300 134 HB ILE 26 HB ILE 26 0.271 2.394 5.063 135 HG13 ILE 26 HG13 ILE 26 -0.611 4.084 6.986 136 HG21 ILE 26 HG21 ILE 26 2.396 2.129 7.223 137 HG22 ILE 26 HG22 ILE 26 1.352 0.842 6.606 138 HG23 ILE 26 HG23 ILE 26 2.558 1.564 5.549 139 HD11 ILE 26 HD11 ILE 26 -0.983 1.078 6.847 140 HD12 ILE 26 HD12 ILE 26 -1.936 2.151 7.872 141 HD13 ILE 26 HD13 ILE 26 -1.976 2.352 6.092 142 H ILE 27 H ILE 27 4.009 4.092 5.888 143 HA ILE 27 HA ILE 27 4.666 3.700 3.037 144 HB ILE 27 HB ILE 27 5.007 6.038 3.711 145 HG13 ILE 27 HG13 ILE 27 6.544 4.579 2.102 146 HG21 ILE 27 HG21 ILE 27 6.825 6.693 5.228 147 HG22 ILE 27 HG22 ILE 27 5.627 5.718 6.098 148 HG23 ILE 27 HG23 ILE 27 7.167 4.986 5.577 149 HD11 ILE 27 HD11 ILE 27 6.127 6.813 1.598 150 HD12 ILE 27 HD12 ILE 27 7.042 7.419 2.998 151 HD13 ILE 27 HD13 ILE 27 7.887 6.659 1.623 152 H LEU 28 H LEU 28 6.032 2.140 2.665 153 HA LEU 28 HA LEU 28 6.944 0.403 4.912 154 HB3 LEU 28 HB3 LEU 28 7.550 -1.157 3.072 155 HG LEU 28 HG LEU 28 5.524 -2.007 2.448 156 HD11 LEU 28 HD11 LEU 28 4.090 -2.033 4.416 157 HD12 LEU 28 HD12 LEU 28 4.821 -0.535 5.022 158 HD13 LEU 28 HD13 LEU 28 5.783 -2.019 4.913 159 HD21 LEU 28 HD21 LEU 28 3.993 0.562 2.967 160 HD22 LEU 28 HD22 LEU 28 3.452 -0.926 2.168 161 HD23 LEU 28 HD23 LEU 28 4.630 0.112 1.372 162 H ARG 29 H ARG 29 9.175 -0.084 5.099 163 HA ARG 29 HA ARG 29 11.082 1.485 3.462 164 HB3 ARG 29 HB3 ARG 29 12.183 2.425 5.400 165 HG3 ARG 29 HG3 ARG 29 9.197 2.929 5.746 166 HD3 ARG 29 HD3 ARG 29 10.621 4.069 7.389 167 HE ARG 29 HE ARG 29 12.462 5.162 6.779 168 HH11 ARG 29 HH11 ARG 29 10.500 5.248 3.839 169 HH12 ARG 29 HH12 ARG 29 11.309 6.610 3.149 170 HH21 ARG 29 HH22 ARG 29 13.516 6.927 5.938 171 HH22 ARG 29 HH21 ARG 29 13.167 7.555 4.358 172 H ASN 30 H ASN 30 13.427 0.800 4.377 173 HA ASN 30 HA ASN 30 15.009 -0.703 4.751 174 HB3 ASN 30 HB3 ASN 30 13.049 -2.420 6.285 175 HD21 ASN 30 HD22 ASN 30 14.089 -4.056 7.378 176 HD22 ASN 30 HD21 ASN 30 15.818 -4.149 7.672 177 H LEU 31 H LEU 31 13.529 -1.080 2.191 178 HA LEU 31 HA LEU 31 12.984 -3.963 2.085 179 HB3 LEU 31 HB3 LEU 31 11.900 -3.597 0.035 180 HG LEU 31 HG LEU 31 10.630 -2.540 2.065 181 HD11 LEU 31 HD11 LEU 31 11.288 -0.156 0.370 182 HD12 LEU 31 HD12 LEU 31 11.957 -0.365 1.960 183 HD13 LEU 31 HD13 LEU 31 10.214 -0.145 1.803 184 HD21 LEU 31 HD21 LEU 31 9.390 -3.095 -0.028 185 HD22 LEU 31 HD22 LEU 31 9.957 -1.579 -0.784 186 HD23 LEU 31 HD23 LEU 31 8.850 -1.514 0.577 187 H ASN 32 H ASN 32 13.632 -4.479 -0.627 188 HA ASN 32 HA ASN 32 16.493 -3.855 -0.943 189 HB3 ASN 32 HB3 ASN 32 15.828 -6.545 -1.920 190 HD21 ASN 32 HD22 ASN 32 17.762 -7.743 -1.979 191 HD22 ASN 32 HD21 ASN 32 19.147 -7.354 -1.019 192 HA PRO 33 HA PRO 33 15.295 -2.677 -4.897 193 HB3 PRO 33 HB3 PRO 33 17.277 -2.557 -5.926 194 HG3 PRO 33 HG3 PRO 33 19.047 -3.773 -5.000 195 HD3 PRO 33 HD3 PRO 33 17.869 -3.086 -3.069 196 H HIS 34 H HIS 34 15.500 -6.208 -4.750 197 HA HIS 34 HA HIS 34 13.577 -6.537 -6.923 198 HB3 HIS 34 HB3 HIS 34 13.968 -8.951 -6.441 199 HD1 HIS 34 HD1 HIS 34 14.998 -7.966 -8.921 200 HD2 HIS 34 HD2 HIS 34 17.503 -7.952 -5.532 201 HE1 HIS 34 HE1 HIS 34 17.393 -7.665 -9.770 202 H SER 35 H SER 35 12.873 -5.533 -3.773 203 HA SER 35 HA SER 35 11.236 -7.613 -2.908 204 HB3 SER 35 HB3 SER 35 12.179 -5.803 -1.473 205 HG SER 35 HG SER 35 9.972 -4.232 -2.240 206 H THR 36 H THR 36 8.990 -7.707 -2.933 207 HA THR 36 HA THR 36 7.614 -6.406 -5.226 208 HB THR 36 HB THR 36 6.223 -8.622 -4.959 209 HG1 THR 36 HG1 THR 36 7.548 -10.312 -4.182 210 HG21 THR 36 HG21 THR 36 7.598 -8.048 -6.888 211 HG22 THR 36 HG22 THR 36 7.787 -9.759 -6.474 212 HG23 THR 36 HG23 THR 36 9.066 -8.599 -6.044 213 H MET 37 H MET 37 5.286 -6.213 -5.133 214 HA MET 37 HA MET 37 4.343 -4.903 -2.774 215 HB3 MET 37 HB3 MET 37 3.730 -4.713 -5.333 216 HG3 MET 37 HG3 MET 37 1.202 -6.087 -4.480 217 HE1 MET 37 HE1 MET 37 0.223 -3.784 -6.049 218 HE2 MET 37 HE2 MET 37 1.928 -3.339 -6.243 219 HE3 MET 37 HE3 MET 37 0.871 -3.499 -7.666 220 H ASP 38 H ASP 38 4.206 -8.156 -3.969 221 HA ASP 38 HA ASP 38 2.080 -9.301 -2.755 222 HB3 ASP 38 HB3 ASP 38 3.325 -11.415 -3.097 223 H SER 39 H SER 39 5.366 -8.921 -1.336 224 HA SER 39 HA SER 39 5.069 -10.075 1.128 225 HB3 SER 39 HB3 SER 39 6.349 -7.352 0.585 226 HG SER 39 HG SER 39 7.634 -9.465 1.941 227 H ILE 40 H ILE 40 3.862 -6.813 0.200 228 HA ILE 40 HA ILE 40 3.122 -6.284 2.926 229 HB ILE 40 HB ILE 40 2.292 -4.879 0.356 230 HG13 ILE 40 HG13 ILE 40 4.666 -4.487 2.210 231 HG21 ILE 40 HG21 ILE 40 0.770 -4.331 2.224 232 HG22 ILE 40 HG22 ILE 40 2.155 -3.866 3.224 233 HG23 ILE 40 HG23 ILE 40 1.730 -2.952 1.753 234 HD11 ILE 40 HD11 ILE 40 4.392 -4.008 -0.790 235 HD12 ILE 40 HD12 ILE 40 5.873 -3.869 0.167 236 HD13 ILE 40 HD13 ILE 40 5.141 -5.457 -0.083 237 H LEU 41 H LEU 41 1.473 -7.446 0.000 238 HA LEU 41 HA LEU 41 -1.193 -7.576 1.073 239 HB3 LEU 41 HB3 LEU 41 -1.620 -9.223 -0.691 240 HG LEU 41 HG LEU 41 0.100 -6.940 -1.757 241 HD11 LEU 41 HD11 LEU 41 -2.211 -8.421 -3.031 242 HD12 LEU 41 HD12 LEU 41 -0.485 -8.729 -3.384 243 HD13 LEU 41 HD13 LEU 41 -1.207 -7.158 -3.784 244 HD21 LEU 41 HD21 LEU 41 -1.593 -5.904 -0.369 245 HD22 LEU 41 HD22 LEU 41 -2.856 -6.974 -1.012 246 HD23 LEU 41 HD23 LEU 41 -2.116 -5.734 -2.041 247 H GLY 42 H GLY 42 1.405 -10.045 0.926 248 HA2 GLY 42 HA2 GLY 42 0.010 -12.098 2.191 249 HA3 GLY 42 HA3 GLY 42 1.768 -11.951 2.100 250 H ALA 43 H ALA 43 1.703 -9.343 3.732 251 HA ALA 43 HA ALA 43 1.701 -10.591 6.387 252 HB1 ALA 43 HB1 ALA 43 2.322 -7.841 5.306 253 HB2 ALA 43 HB2 ALA 43 1.921 -8.026 7.034 254 HB3 ALA 43 HB3 ALA 43 3.271 -8.886 6.376 255 H LEU 44 H LEU 44 -0.350 -8.167 4.670 256 HA LEU 44 HA LEU 44 -1.953 -8.003 7.156 257 HB3 LEU 44 HB3 LEU 44 -2.818 -5.903 6.125 258 HG LEU 44 HG LEU 44 -1.225 -4.547 6.830 259 HD11 LEU 44 HD11 LEU 44 0.037 -7.156 7.785 260 HD12 LEU 44 HD12 LEU 44 -1.246 -6.232 8.579 261 HD13 LEU 44 HD13 LEU 44 0.381 -5.573 8.423 262 HD21 LEU 44 HD21 LEU 44 1.172 -4.645 6.317 263 HD22 LEU 44 HD22 LEU 44 0.164 -4.671 4.862 264 HD23 LEU 44 HD23 LEU 44 0.916 -6.166 5.443 265 H ALA 45 H ALA 45 -2.374 -9.462 4.100 266 HA ALA 45 HA ALA 45 -4.830 -8.962 3.271 267 HB1 ALA 45 HB1 ALA 45 -3.542 -11.697 3.496 268 HB2 ALA 45 HB2 ALA 45 -5.008 -11.358 2.553 269 HB3 ALA 45 HB3 ALA 45 -3.496 -10.555 2.140 270 HA PRO 46 HA PRO 46 -7.448 -11.574 6.211 271 HB3 PRO 46 HB3 PRO 46 -6.327 -13.453 7.011 272 HG3 PRO 46 HG3 PRO 46 -4.054 -13.305 7.740 273 HD3 PRO 46 HD3 PRO 46 -4.035 -12.440 5.550 274 H TYR 47 H TYR 47 -5.415 -9.043 7.280 275 HA TYR 47 HA TYR 47 -7.209 -8.298 9.529 276 HB3 TYR 47 HB3 TYR 47 -5.353 -7.163 10.465 277 HD1 TYR 47 HD1 TYR 47 -6.230 -9.918 10.921 278 HD2 TYR 47 HD2 TYR 47 -2.481 -8.481 9.351 279 HE1 TYR 47 HE1 TYR 47 -5.105 -12.018 11.657 280 HE2 TYR 47 HE2 TYR 47 -1.351 -10.536 10.123 281 HH TYR 47 HH TYR 47 -1.865 -12.834 10.783 282 H ALA 48 H ALA 48 -7.052 -7.786 6.358 283 HA ALA 48 HA ALA 48 -7.452 -4.831 6.443 284 HB1 ALA 48 HB1 ALA 48 -5.621 -6.359 4.546 285 HB2 ALA 48 HB2 ALA 48 -5.874 -4.606 4.608 286 HB3 ALA 48 HB3 ALA 48 -5.073 -5.414 5.953 287 H VAL 49 H VAL 49 -8.174 -4.029 4.233 288 HA VAL 49 HA VAL 49 -9.325 -6.030 2.479 289 HB VAL 49 HB VAL 49 -11.077 -5.553 4.050 290 HG11 VAL 49 HG11 VAL 49 -12.278 -3.516 4.194 291 HG12 VAL 49 HG12 VAL 49 -10.577 -3.173 4.543 292 HG13 VAL 49 HG13 VAL 49 -11.255 -2.732 2.977 293 HG21 VAL 49 HG21 VAL 49 -11.475 -6.234 1.709 294 HG22 VAL 49 HG22 VAL 49 -12.824 -5.342 2.412 295 HG23 VAL 49 HG23 VAL 49 -11.701 -4.537 1.260 296 H LEU 50 H LEU 50 -7.562 -5.548 1.241 297 HA LEU 50 HA LEU 50 -7.768 -3.214 -0.504 298 HB3 LEU 50 HB3 LEU 50 -6.414 -2.115 0.972 299 HG LEU 50 HG LEU 50 -5.864 -3.626 2.679 300 HD11 LEU 50 HD11 LEU 50 -3.968 -5.073 0.776 301 HD12 LEU 50 HD12 LEU 50 -5.454 -5.742 1.487 302 HD13 LEU 50 HD13 LEU 50 -4.111 -5.344 2.531 303 HD21 LEU 50 HD21 LEU 50 -3.261 -2.741 1.394 304 HD22 LEU 50 HD22 LEU 50 -3.558 -3.017 3.113 305 HD23 LEU 50 HD23 LEU 50 -4.366 -1.675 2.295 306 H SER 51 H SER 51 -5.758 -3.439 -2.174 307 HA SER 51 HA SER 51 -4.766 -6.087 -2.538 308 HB3 SER 51 HB3 SER 51 -6.445 -5.184 -4.880 309 HG SER 51 HG SER 51 -5.701 -7.645 -3.635 310 H SER 52 H SER 52 -4.054 -5.830 -5.283 311 HA SER 52 HA SER 52 -1.739 -4.310 -4.992 312 HB3 SER 52 HB3 SER 52 -1.570 -6.149 -6.293 313 HG SER 52 HG SER 52 -3.639 -5.265 -8.028 314 H SER 53 H SER 53 -4.799 -2.967 -5.722 315 HA SER 53 HA SER 53 -3.760 -0.665 -7.187 316 HB3 SER 53 HB3 SER 53 -6.268 -0.721 -5.562 317 HG SER 53 HG SER 53 -5.673 0.476 -8.066 318 H ASN 54 H ASN 54 -4.352 -1.402 -3.644 319 HA ASN 54 HA ASN 54 -3.733 1.111 -2.504 320 HB3 ASN 54 HB3 ASN 54 -3.593 -1.787 -1.600 321 HD21 ASN 54 HD22 ASN 54 -4.443 1.175 0.210 322 HD22 ASN 54 HD21 ASN 54 -2.961 1.005 1.115 323 H VAL 55 H VAL 55 -1.806 -1.844 -3.051 324 HA VAL 55 HA VAL 55 0.375 -0.674 -1.618 325 HB VAL 55 HB VAL 55 -0.227 -2.874 -1.094 326 HG11 VAL 55 HG11 VAL 55 -1.319 -3.649 -3.006 327 HG12 VAL 55 HG12 VAL 55 0.155 -3.521 -3.993 328 HG13 VAL 55 HG13 VAL 55 0.021 -4.760 -2.726 329 HG21 VAL 55 HG21 VAL 55 2.042 -2.694 -0.735 330 HG22 VAL 55 HG22 VAL 55 1.928 -4.163 -1.694 331 HG23 VAL 55 HG23 VAL 55 2.452 -2.654 -2.463 332 H ARG 56 H ARG 56 0.859 0.980 -2.787 333 HA ARG 56 HA ARG 56 1.720 0.771 -5.545 334 HB3 ARG 56 HB3 ARG 56 2.034 3.316 -3.923 335 HG3 ARG 56 HG3 ARG 56 2.552 3.071 -6.453 336 HD3 ARG 56 HD3 ARG 56 -0.403 2.561 -6.399 337 HE ARG 56 HE ARG 56 0.073 4.841 -7.554 338 HH11 ARG 56 HH11 ARG 56 -0.647 1.677 -8.938 339 HH12 ARG 56 HH12 ARG 56 -1.312 2.336 -10.408 340 HH21 ARG 56 HH22 ARG 56 -0.798 5.718 -9.528 341 HH22 ARG 56 HH21 ARG 56 -1.340 4.684 -10.760 342 H VAL 57 H VAL 57 3.473 -0.454 -5.631 343 HA VAL 57 HA VAL 57 5.985 0.308 -4.236 344 HB VAL 57 HB VAL 57 5.356 -1.994 -6.136 345 HG11 VAL 57 HG11 VAL 57 7.742 -1.375 -6.256 346 HG12 VAL 57 HG12 VAL 57 7.861 -1.381 -4.479 347 HG13 VAL 57 HG13 VAL 57 7.568 -2.888 -5.373 348 HG21 VAL 57 HG21 VAL 57 5.610 -3.428 -4.145 349 HG22 VAL 57 HG22 VAL 57 5.758 -2.002 -3.113 350 HG23 VAL 57 HG23 VAL 57 4.237 -2.322 -3.973 351 H ILE 58 H ILE 58 6.581 2.233 -5.168 352 HA ILE 58 HA ILE 58 6.509 2.616 -8.063 353 HB ILE 58 HB ILE 58 8.286 4.074 -6.071 354 HG13 ILE 58 HG13 ILE 58 6.470 5.792 -5.895 355 HG21 ILE 58 HG21 ILE 58 7.965 5.993 -7.659 356 HG22 ILE 58 HG22 ILE 58 8.816 4.643 -8.389 357 HG23 ILE 58 HG23 ILE 58 7.103 4.913 -8.759 358 HD11 ILE 58 HD11 ILE 58 4.129 5.023 -6.181 359 HD12 ILE 58 HD12 ILE 58 4.966 5.284 -7.731 360 HD13 ILE 58 HD13 ILE 58 4.690 3.634 -7.110 361 H LYS 59 H LYS 59 8.633 2.854 -9.306 362 HA LYS 59 HA LYS 59 10.733 1.028 -8.518 363 HB3 LYS 59 HB3 LYS 59 10.681 -0.239 -10.636 364 HG3 LYS 59 HG3 LYS 59 7.988 -0.615 -9.283 365 HD3 LYS 59 HD3 LYS 59 8.533 -3.038 -9.580 366 HE3 LYS 59 HE3 LYS 59 8.942 -3.104 -12.164 367 HZ1 LYS 59 HZ1 LYS 59 6.663 -2.287 -12.608 368 HZ2 LYS 59 HZ2 LYS 59 6.515 -1.865 -11.022 369 HZ3 LYS 59 HZ3 LYS 59 6.745 -3.424 -11.426 370 H ASP 60 H ASP 60 12.617 1.468 -9.641 371 HA ASP 60 HA ASP 60 12.999 4.192 -10.539 372 HB3 ASP 60 HB3 ASP 60 14.651 1.649 -10.422 373 H LYS 61 H LYS 61 13.473 4.878 -12.614 374 HA LYS 61 HA LYS 61 12.225 3.454 -14.855 375 HB3 LYS 61 HB3 LYS 61 13.627 6.104 -14.514 376 HG3 LYS 61 HG3 LYS 61 13.792 5.562 -16.808 377 HD3 LYS 61 HD3 LYS 61 10.756 5.353 -17.003 378 HE3 LYS 61 HE3 LYS 61 13.109 5.092 -18.940 379 HZ1 LYS 61 HZ1 LYS 61 11.571 4.685 -20.616 380 HZ2 LYS 61 HZ2 LYS 61 10.253 4.815 -19.618 381 HZ3 LYS 61 HZ3 LYS 61 11.323 3.543 -19.489 382 H GLN 62 H GLN 62 15.529 4.220 -13.617 383 HA GLN 62 HA GLN 62 16.800 3.700 -16.162 384 HB3 GLN 62 HB3 GLN 62 18.837 3.431 -14.838 385 HG3 GLN 62 HG3 GLN 62 17.578 5.867 -13.616 386 HE21 GLN 62 HE22 GLN 62 18.982 7.639 -15.503 387 HE22 GLN 62 HE21 GLN 62 20.665 7.508 -15.027 388 H THR 63 H THR 63 16.379 1.812 -13.188 389 HA THR 63 HA THR 63 17.134 -0.677 -14.598 390 HB THR 63 HB THR 63 17.476 -1.551 -12.351 391 HG1 THR 63 HG1 THR 63 16.710 1.026 -11.432 392 HG21 THR 63 HG21 THR 63 18.698 1.244 -12.588 393 HG22 THR 63 HG22 THR 63 19.315 -0.231 -13.356 394 HG23 THR 63 HG23 THR 63 19.286 -0.101 -11.586 395 H GLN 64 H GLN 64 15.749 -2.495 -12.935 396 HA GLN 64 HA GLN 64 12.878 -1.884 -13.333 397 HB3 GLN 64 HB3 GLN 64 12.572 -4.278 -14.009 398 HG3 GLN 64 HG3 GLN 64 13.727 -4.228 -16.247 399 HE21 GLN 64 HE22 GLN 64 12.892 -0.881 -15.212 400 HE22 GLN 64 HE21 GLN 64 11.321 -0.868 -15.995 401 H LEU 65 H LEU 65 13.882 -1.170 -11.053 402 HA LEU 65 HA LEU 65 13.570 -3.381 -9.094 403 HB3 LEU 65 HB3 LEU 65 15.490 -2.512 -7.878 404 HG LEU 65 HG LEU 65 16.307 -2.812 -10.801 405 HD11 LEU 65 HD11 LEU 65 17.944 -1.552 -9.506 406 HD12 LEU 65 HD12 LEU 65 18.574 -3.152 -9.935 407 HD13 LEU 65 HD13 LEU 65 18.000 -2.827 -8.287 408 HD21 LEU 65 HD21 LEU 65 16.399 -4.898 -8.583 409 HD22 LEU 65 HD22 LEU 65 16.995 -5.077 -10.236 410 HD23 LEU 65 HD23 LEU 65 15.265 -4.884 -9.930 411 H ASN 66 H ASN 66 13.266 -2.408 -6.906 412 HA ASN 66 HA ASN 66 11.227 -0.358 -6.924 413 HB3 ASN 66 HB3 ASN 66 11.617 -2.250 -5.319 414 HD21 ASN 66 HD22 ASN 66 11.718 -2.532 -2.840 415 HD22 ASN 66 HD21 ASN 66 13.296 -2.193 -2.268 416 H ARG 67 H ARG 67 11.472 1.399 -4.931 417 HA ARG 67 HA ARG 67 14.164 2.341 -5.112 418 HB3 ARG 67 HB3 ARG 67 13.285 4.731 -5.030 419 HG3 ARG 67 HG3 ARG 67 11.670 3.134 -7.067 420 HD3 ARG 67 HD3 ARG 67 10.583 5.221 -6.395 421 HE ARG 67 HE ARG 67 11.630 7.151 -6.219 422 HH11 ARG 67 HH11 ARG 67 13.974 5.410 -8.231 423 HH12 ARG 67 HH12 ARG 67 14.590 6.829 -8.957 424 HH21 ARG 67 HH22 ARG 67 12.801 9.012 -6.880 425 HH22 ARG 67 HH21 ARG 67 13.634 8.922 -8.389 426 H GLY 68 H GLY 68 13.677 0.659 -3.093 427 HA2 GLY 68 HA2 GLY 68 13.809 0.304 -0.894 428 HA3 GLY 68 HA3 GLY 68 14.647 1.838 -0.782 429 H PHE 69 H PHE 69 11.274 1.852 -1.837 430 HA PHE 69 HA PHE 69 10.235 1.830 0.855 431 HB3 PHE 69 HB3 PHE 69 10.890 4.216 0.249 432 HD1 PHE 69 HD2 PHE 69 10.751 4.172 -2.553 433 HD2 PHE 69 HD1 PHE 69 7.449 4.869 0.122 434 HE1 PHE 69 HE2 PHE 69 9.520 5.322 -4.379 435 HE2 PHE 69 HE1 PHE 69 6.256 6.038 -1.628 436 HZ PHE 69 HZ PHE 69 7.259 6.296 -3.904 437 H ALA 70 H ALA 70 7.700 2.072 0.626 438 HA ALA 70 HA ALA 70 6.622 2.050 -1.994 439 HB1 ALA 70 HB1 ALA 70 7.114 -0.434 -1.714 440 HB2 ALA 70 HB2 ALA 70 5.969 -0.450 -0.363 441 HB3 ALA 70 HB3 ALA 70 5.433 -0.019 -2.004 442 H PHE 71 H PHE 71 4.093 1.872 -1.653 443 HA PHE 71 HA PHE 71 3.413 3.625 0.698 444 HB3 PHE 71 HB3 PHE 71 1.901 4.498 -1.550 445 HD1 PHE 71 HD2 PHE 71 3.085 5.603 1.269 446 HD2 PHE 71 HD1 PHE 71 3.769 6.413 -2.925 447 HE1 PHE 71 HE2 PHE 71 3.879 7.837 1.829 448 HE2 PHE 71 HE1 PHE 71 4.631 8.650 -2.339 449 HZ PHE 71 HZ PHE 71 4.761 9.361 0.042 450 H ILE 72 H ILE 72 1.140 3.696 1.333 451 HA ILE 72 HA ILE 72 -0.679 1.639 0.191 452 HB ILE 72 HB ILE 72 0.207 2.083 3.032 453 HG13 ILE 72 HG13 ILE 72 1.650 0.557 1.847 454 HG21 ILE 72 HG21 ILE 72 -2.314 1.808 2.943 455 HG22 ILE 72 HG22 ILE 72 -2.034 0.149 2.361 456 HG23 ILE 72 HG23 ILE 72 -1.472 0.664 3.936 457 HD11 ILE 72 HD11 ILE 72 1.634 -1.324 3.339 458 HD12 ILE 72 HD12 ILE 72 1.035 0.049 4.272 459 HD13 ILE 72 HD13 ILE 72 -0.097 -1.176 3.639 460 H GLN 73 H GLN 73 -2.473 2.771 -0.436 461 HA GLN 73 HA GLN 73 -3.286 5.312 0.823 462 HB3 GLN 73 HB3 GLN 73 -4.713 3.565 -1.234 463 HG3 GLN 73 HG3 GLN 73 -5.132 6.514 -0.586 464 HE21 GLN 73 HE22 GLN 73 -7.850 6.488 -0.848 465 HE22 GLN 73 HE21 GLN 73 -8.368 6.202 -2.483 466 H LEU 74 H LEU 74 -4.268 5.180 2.876 467 HA LEU 74 HA LEU 74 -6.334 3.106 3.276 468 HB3 LEU 74 HB3 LEU 74 -5.131 3.660 5.781 469 HG LEU 74 HG LEU 74 -4.466 1.321 5.884 470 HD11 LEU 74 HD11 LEU 74 -7.328 1.670 4.899 471 HD12 LEU 74 HD12 LEU 74 -6.698 2.113 6.503 472 HD13 LEU 74 HD13 LEU 74 -6.696 0.419 5.989 473 HD21 LEU 74 HD21 LEU 74 -5.899 0.445 3.447 474 HD22 LEU 74 HD22 LEU 74 -4.425 -0.162 4.208 475 HD23 LEU 74 HD23 LEU 74 -4.356 1.245 3.139 476 H SER 75 H SER 75 -7.857 3.670 4.786 477 HA SER 75 HA SER 75 -8.806 6.350 4.815 478 HB3 SER 75 HB3 SER 75 -9.494 3.699 6.112 479 HG SER 75 HG SER 75 -11.307 4.378 6.847 480 H THR 76 H THR 76 -9.134 7.689 6.728 481 HA THR 76 HA THR 76 -6.976 8.337 8.135 482 HB THR 76 HB THR 76 -9.408 8.810 9.771 483 HG1 THR 76 HG1 THR 76 -10.498 8.592 7.940 484 HG21 THR 76 HG21 THR 76 -7.367 10.210 9.890 485 HG22 THR 76 HG22 THR 76 -8.824 11.133 9.480 486 HG23 THR 76 HG23 THR 76 -7.647 10.725 8.213 487 H ILE 77 H ILE 77 -9.600 6.634 9.995 488 HA ILE 77 HA ILE 77 -7.830 6.285 12.252 489 HB ILE 77 HB ILE 77 -10.490 4.912 11.622 490 HG13 ILE 77 HG13 ILE 77 -10.715 7.352 11.691 491 HG21 ILE 77 HG21 ILE 77 -10.566 4.495 14.086 492 HG22 ILE 77 HG22 ILE 77 -9.233 3.663 13.321 493 HG23 ILE 77 HG23 ILE 77 -8.924 5.150 14.232 494 HD11 ILE 77 HD11 ILE 77 -12.379 7.646 13.362 495 HD12 ILE 77 HD12 ILE 77 -12.508 5.965 12.804 496 HD13 ILE 77 HD13 ILE 77 -11.735 6.343 14.359 497 H GLU 78 H GLU 78 -8.728 4.342 9.470 498 HA GLU 78 HA GLU 78 -7.878 1.826 10.489 499 HB3 GLU 78 HB3 GLU 78 -8.103 1.125 8.099 500 HG3 GLU 78 HG3 GLU 78 -10.253 2.707 9.507 501 H ALA 79 H ALA 79 -6.252 4.460 8.813 502 HA ALA 79 HA ALA 79 -3.855 3.145 8.032 503 HB1 ALA 79 HB1 ALA 79 -4.220 6.082 8.718 504 HB2 ALA 79 HB2 ALA 79 -2.945 5.329 7.738 505 HB3 ALA 79 HB3 ALA 79 -4.599 5.365 7.153 506 H ALA 80 H ALA 80 -4.962 4.933 10.878 507 HA ALA 80 HA ALA 80 -2.494 4.823 12.248 508 HB1 ALA 80 HB1 ALA 80 -5.274 5.448 13.339 509 HB2 ALA 80 HB2 ALA 80 -3.732 5.833 14.128 510 HB3 ALA 80 HB3 ALA 80 -4.162 6.616 12.591 511 H GLN 81 H GLN 81 -5.554 2.968 12.747 512 HA GLN 81 HA GLN 81 -4.555 1.524 15.059 513 HB3 GLN 81 HB3 GLN 81 -6.981 1.962 14.396 514 HG3 GLN 81 HG3 GLN 81 -6.609 -0.548 12.735 515 HE21 GLN 81 HE22 GLN 81 -8.393 -0.694 11.040 516 HE22 GLN 81 HE21 GLN 81 -10.015 -0.528 11.639 517 H LEU 82 H LEU 82 -4.486 0.776 11.571 518 HA LEU 82 HA LEU 82 -3.557 -1.920 11.894 519 HB3 LEU 82 HB3 LEU 82 -2.374 -1.204 9.573 520 HG LEU 82 HG LEU 82 -4.550 -1.492 8.358 521 HD11 LEU 82 HD11 LEU 82 -4.713 -3.905 8.905 522 HD12 LEU 82 HD12 LEU 82 -3.763 -3.625 10.377 523 HD13 LEU 82 HD13 LEU 82 -3.033 -3.366 8.787 524 HD21 LEU 82 HD21 LEU 82 -6.141 -0.727 10.085 525 HD22 LEU 82 HD22 LEU 82 -5.727 -2.138 11.091 526 HD23 LEU 82 HD23 LEU 82 -6.500 -2.355 9.509 527 H LEU 83 H LEU 83 -1.869 1.228 11.885 528 HA LEU 83 HA LEU 83 0.678 0.428 11.580 529 HB3 LEU 83 HB3 LEU 83 -0.123 2.498 13.669 530 HG LEU 83 HG LEU 83 2.358 2.120 13.337 531 HD11 LEU 83 HD11 LEU 83 3.348 2.978 11.199 532 HD12 LEU 83 HD12 LEU 83 1.704 3.065 10.504 533 HD13 LEU 83 HD13 LEU 83 2.387 1.517 10.965 534 HD21 LEU 83 HD21 LEU 83 2.854 4.536 13.001 535 HD22 LEU 83 HD22 LEU 83 1.523 4.241 14.132 536 HD23 LEU 83 HD23 LEU 83 1.166 4.772 12.473 537 H GLN 84 H GLN 84 -1.232 0.054 14.467 538 HA GLN 84 HA GLN 84 0.892 -0.490 16.361 539 HB3 GLN 84 HB3 GLN 84 -1.241 -1.467 17.594 540 HG3 GLN 84 HG3 GLN 84 -0.954 1.440 16.737 541 HE21 GLN 84 HE22 GLN 84 -1.450 2.576 19.081 542 HE22 GLN 84 HE21 GLN 84 -3.097 2.347 19.657 543 H ILE 85 H ILE 85 -1.391 -2.456 14.498 544 HA ILE 85 HA ILE 85 -0.606 -4.990 15.517 545 HB ILE 85 HB ILE 85 -1.935 -4.304 12.884 546 HG13 ILE 85 HG13 ILE 85 -3.100 -3.348 14.973 547 HG21 ILE 85 HG21 ILE 85 -1.799 -6.849 14.600 548 HG22 ILE 85 HG22 ILE 85 -2.871 -6.681 13.210 549 HG23 ILE 85 HG23 ILE 85 -1.117 -6.635 12.982 550 HD11 ILE 85 HD11 ILE 85 -5.286 -4.097 14.496 551 HD12 ILE 85 HD12 ILE 85 -4.394 -3.940 12.966 552 HD13 ILE 85 HD13 ILE 85 -4.694 -5.548 13.671 553 H LEU 86 H LEU 86 0.413 -2.997 12.747 554 HA LEU 86 HA LEU 86 1.886 -5.008 11.365 555 HB3 LEU 86 HB3 LEU 86 3.239 -2.828 10.613 556 HG LEU 86 HG LEU 86 1.806 -4.162 9.151 557 HD11 LEU 86 HD11 LEU 86 -0.385 -3.971 10.386 558 HD12 LEU 86 HD12 LEU 86 -0.530 -3.405 8.718 559 HD13 LEU 86 HD13 LEU 86 -0.386 -2.228 10.016 560 HD21 LEU 86 HD21 LEU 86 2.912 -2.152 8.329 561 HD22 LEU 86 HD22 LEU 86 1.558 -1.148 8.907 562 HD23 LEU 86 HD23 LEU 86 1.311 -2.306 7.581 563 H GLN 87 H GLN 87 2.804 -3.085 14.184 564 HA GLN 87 HA GLN 87 5.659 -3.437 13.781 565 HB3 GLN 87 HB3 GLN 87 5.908 -2.428 15.967 566 HG3 GLN 87 HG3 GLN 87 3.705 -0.717 15.455 567 HE21 GLN 87 HE22 GLN 87 4.233 1.342 14.377 568 HE22 GLN 87 HE21 GLN 87 5.868 1.968 14.405 569 H ALA 88 H ALA 88 3.091 -5.434 15.073 570 HA ALA 88 HA ALA 88 4.840 -6.981 16.834 571 HB1 ALA 88 HB1 ALA 88 1.957 -7.442 15.948 572 HB2 ALA 88 HB2 ALA 88 2.803 -8.282 17.261 573 HB3 ALA 88 HB3 ALA 88 2.461 -6.550 17.403 574 H LEU 89 H LEU 89 4.306 -6.972 13.428 575 HA LEU 89 HA LEU 89 4.874 -9.886 13.222 576 HB3 LEU 89 HB3 LEU 89 2.503 -9.494 13.024 577 HG LEU 89 HG LEU 89 2.769 -7.167 11.715 578 HD11 LEU 89 HD11 LEU 89 2.558 -9.175 9.440 579 HD12 LEU 89 HD12 LEU 89 3.835 -7.955 9.681 580 HD13 LEU 89 HD13 LEU 89 2.199 -7.435 9.323 581 HD21 LEU 89 HD21 LEU 89 0.582 -9.202 11.143 582 HD22 LEU 89 HD22 LEU 89 0.446 -7.436 10.945 583 HD23 LEU 89 HD23 LEU 89 0.679 -8.132 12.557 584 H HIS 90 H HIS 90 5.095 -10.333 10.657 585 HA HIS 90 HA HIS 90 6.616 -8.333 9.254 586 HB3 HIS 90 HB3 HIS 90 8.530 -9.199 10.203 587 HD1 HIS 90 HD1 HIS 90 9.726 -10.789 11.774 588 HD2 HIS 90 HD2 HIS 90 6.406 -12.524 9.852 589 HE1 HIS 90 HE1 HIS 90 9.440 -13.121 12.785 590 HA PRO 91 HA PRO 91 4.434 -10.598 6.141 591 HB3 PRO 91 HB3 PRO 91 4.812 -8.725 4.788 592 HG3 PRO 91 HG3 PRO 91 6.935 -7.689 4.680 593 HD3 PRO 91 HD3 PRO 91 6.393 -7.708 6.964 594 HA PRO 92 HA PRO 92 6.408 -14.487 5.338 595 HB3 PRO 92 HB3 PRO 92 4.196 -15.190 5.228 596 HG3 PRO 92 HG3 PRO 92 2.573 -14.025 3.913 597 HD3 PRO 92 HD3 PRO 92 3.404 -12.507 5.493 598 H LEU 93 H LEU 93 6.963 -12.037 3.329 599 HA LEU 93 HA LEU 93 8.370 -13.607 1.183 600 HB3 LEU 93 HB3 LEU 93 8.201 -11.210 0.091 601 HG LEU 93 HG LEU 93 7.162 -13.617 -0.609 602 HD11 LEU 93 HD11 LEU 93 5.055 -13.367 0.565 603 HD12 LEU 93 HD12 LEU 93 4.797 -13.327 -1.179 604 HD13 LEU 93 HD13 LEU 93 4.739 -11.825 -0.256 605 HD21 LEU 93 HD21 LEU 93 8.170 -12.018 -1.990 606 HD22 LEU 93 HD22 LEU 93 6.743 -10.947 -1.903 607 HD23 LEU 93 HD23 LEU 93 6.633 -12.543 -2.714 608 H THR 94 H THR 94 10.426 -13.574 1.988 609 HA THR 94 HA THR 94 11.583 -10.883 2.271 610 HB THR 94 HB THR 94 12.134 -13.373 3.855 611 HG1 THR 94 HG1 THR 94 12.380 -10.930 5.004 612 HG21 THR 94 HG21 THR 94 14.125 -12.219 4.849 613 HG22 THR 94 HG22 THR 94 14.114 -11.231 3.365 614 HG23 THR 94 HG23 THR 94 14.322 -12.992 3.259 615 H ILE 95 H ILE 95 13.014 -10.447 0.887 616 HA ILE 95 HA ILE 95 14.417 -12.518 -0.707 617 HB ILE 95 HB ILE 95 13.221 -10.695 -2.002 618 HG13 ILE 95 HG13 ILE 95 16.253 -10.859 -2.206 619 HG21 ILE 95 HG21 ILE 95 15.221 -8.774 -0.772 620 HG22 ILE 95 HG22 ILE 95 14.003 -8.413 -2.016 621 HG23 ILE 95 HG23 ILE 95 13.493 -8.828 -0.380 622 HD11 ILE 95 HD11 ILE 95 14.963 -12.899 -2.838 623 HD12 ILE 95 HD12 ILE 95 13.962 -11.902 -3.931 624 HD13 ILE 95 HD13 ILE 95 15.700 -12.120 -4.252 625 H ASP 96 H ASP 96 16.755 -12.473 -0.435 626 HA ASP 96 HA ASP 96 18.766 -11.962 0.381 627 HB3 ASP 96 HB3 ASP 96 17.841 -9.146 0.917 628 H GLY 97 H GLY 97 16.535 -12.595 2.502 629 HA2 GLY 97 HA2 GLY 97 16.516 -12.900 4.822 630 HA3 GLY 97 HA3 GLY 97 18.174 -12.289 4.884 631 H LYS 98 H LYS 98 15.932 -10.185 3.294 632 HA LYS 98 HA LYS 98 16.364 -8.145 5.389 633 HB3 LYS 98 HB3 LYS 98 15.113 -6.659 3.710 634 HG3 LYS 98 HG3 LYS 98 16.858 -7.092 1.822 635 HD3 LYS 98 HD3 LYS 98 18.750 -6.292 3.556 636 HE3 LYS 98 HE3 LYS 98 16.660 -4.232 3.435 637 HZ1 LYS 98 HZ1 LYS 98 18.310 -3.229 1.949 638 HZ2 LYS 98 HZ2 LYS 98 19.205 -4.587 1.949 639 HZ3 LYS 98 HZ3 LYS 98 19.002 -3.724 3.364 640 H THR 99 H THR 99 14.424 -6.745 5.935 641 HA THR 99 HA THR 99 11.885 -8.143 5.744 642 HB THR 99 HB THR 99 11.796 -7.442 8.448 643 HG1 THR 99 HG1 THR 99 13.838 -7.439 8.901 644 HG21 THR 99 HG21 THR 99 11.631 -9.864 8.835 645 HG22 THR 99 HG22 THR 99 12.278 -10.185 7.213 646 HG23 THR 99 HG23 THR 99 10.697 -9.389 7.407 647 H ILE 100 H ILE 100 10.138 -6.736 5.796 648 HA ILE 100 HA ILE 100 10.854 -4.049 5.017 649 HB ILE 100 HB ILE 100 8.080 -5.210 5.513 650 HG13 ILE 100 HG13 ILE 100 7.944 -5.889 3.181 651 HG21 ILE 100 HG21 ILE 100 7.988 -2.840 5.134 652 HG22 ILE 100 HG22 ILE 100 9.054 -2.957 3.719 653 HG23 ILE 100 HG23 ILE 100 7.408 -3.648 3.680 654 HD11 ILE 100 HD11 ILE 100 10.009 -6.273 1.857 655 HD12 ILE 100 HD12 ILE 100 9.626 -4.564 2.033 656 HD13 ILE 100 HD13 ILE 100 10.933 -5.289 3.003 657 H ASN 101 H ASN 101 10.047 -2.096 6.081 658 HA ASN 101 HA ASN 101 9.645 -2.361 9.033 659 HB3 ASN 101 HB3 ASN 101 10.318 0.345 8.375 660 HD21 ASN 101 HD22 ASN 101 12.689 0.892 9.286 661 HD22 ASN 101 HD21 ASN 101 13.048 -0.009 10.761 662 H VAL 102 H VAL 102 8.440 -0.312 9.901 663 HA VAL 102 HA VAL 102 5.963 0.029 8.296 664 HB VAL 102 HB VAL 102 5.438 -1.772 9.696 665 HG11 VAL 102 HG11 VAL 102 6.737 -0.411 12.086 666 HG12 VAL 102 HG12 VAL 102 5.817 -1.932 12.102 667 HG13 VAL 102 HG13 VAL 102 7.334 -1.854 11.232 668 HG21 VAL 102 HG21 VAL 102 3.751 -0.008 9.818 669 HG22 VAL 102 HG22 VAL 102 3.855 -0.846 11.381 670 HG23 VAL 102 HG23 VAL 102 4.591 0.726 11.213 671 H GLU 103 H GLU 103 5.598 2.231 8.006 672 HA GLU 103 HA GLU 103 5.840 3.875 10.394 673 HB3 GLU 103 HB3 GLU 103 7.019 5.095 7.920 674 HG3 GLU 103 HG3 GLU 103 6.672 6.089 10.322 675 H PHE 104 H PHE 104 4.878 6.158 9.833 676 HA PHE 104 HA PHE 104 2.537 5.760 8.043 677 HB3 PHE 104 HB3 PHE 104 2.639 6.739 10.905 678 HD1 PHE 104 HD1 PHE 104 0.477 6.496 7.844 679 HD2 PHE 104 HD2 PHE 104 0.574 7.187 12.095 680 HE1 PHE 104 HE1 PHE 104 -1.860 7.202 7.788 681 HE2 PHE 104 HE2 PHE 104 -1.869 7.662 12.062 682 HZ PHE 104 HZ PHE 104 -3.083 7.705 9.909 683 H ALA 105 H ALA 105 3.031 7.149 6.462 684 HA ALA 105 HA ALA 105 4.209 9.781 6.871 685 HB1 ALA 105 HB1 ALA 105 2.982 8.468 4.410 686 HB2 ALA 105 HB2 ALA 105 3.811 10.032 4.452 687 HB3 ALA 105 HB3 ALA 105 4.713 8.547 4.814 688 H LYS 106 H LYS 106 2.630 10.363 8.542 689 HA LYS 106 HA LYS 106 0.090 11.417 7.419 690 HB3 LYS 106 HB3 LYS 106 0.800 10.064 9.987 691 HG3 LYS 106 HG3 LYS 106 -1.253 12.280 9.636 692 HD3 LYS 106 HD3 LYS 106 -2.002 9.929 10.623 693 HE3 LYS 106 HE3 LYS 106 -1.977 9.958 13.074 694 HZ1 LYS 106 HZ1 LYS 106 0.787 10.595 12.180 695 HZ2 LYS 106 HZ2 LYS 106 0.142 9.086 12.240 696 HZ3 LYS 106 HZ3 LYS 106 0.403 9.981 13.612 697 H GLY 107 H GLY 107 -0.263 13.554 7.637 698 HA2 GLY 107 HA2 GLY 107 1.899 15.306 8.624 699 HA3 GLY 107 HA3 GLY 107 0.515 15.773 7.628 700 H SER 108 H SER 108 0.699 17.427 9.417 701 HA SER 108 HA SER 108 -0.820 16.730 11.900 702 HB3 SER 108 HB3 SER 108 0.691 18.506 12.975 703 HG SER 108 HG SER 108 2.145 16.217 12.119 704 H LYS 109 H LYS 109 -2.702 17.858 11.840 705 HA LYS 109 HA LYS 109 -2.641 20.741 11.039 706 HB3 LYS 109 HB3 LYS 109 -4.092 19.672 9.515 707 HG3 LYS 109 HG3 LYS 109 -5.581 18.397 11.859 708 HD3 LYS 109 HD3 LYS 109 -5.987 18.378 8.854 709 HE3 LYS 109 HE3 LYS 109 -6.209 16.054 9.679 710 HZ1 LYS 109 HZ1 LYS 109 -6.972 16.318 11.924 711 HZ2 LYS 109 HZ2 LYS 109 -8.203 15.625 11.064 712 HZ3 LYS 109 HZ3 LYS 109 -8.274 17.214 11.436 713 H ARG 110 H ARG 110 -3.982 22.141 12.431 714 HA ARG 110 HA ARG 110 -4.907 20.957 15.014 715 HB3 ARG 110 HB3 ARG 110 -2.532 21.396 15.337 716 HG3 ARG 110 HG3 ARG 110 -3.008 23.838 13.858 717 HD3 ARG 110 HD3 ARG 110 -1.817 24.254 16.627 718 HE ARG 110 HE ARG 110 -2.327 26.373 14.606 719 HH11 ARG 110 HH11 ARG 110 0.208 24.278 15.997 720 HH12 ARG 110 HH12 ARG 110 1.457 25.458 15.749 721 HH21 ARG 110 HH22 ARG 110 -0.691 27.843 14.237 722 HH22 ARG 110 HH21 ARG 110 0.942 27.547 14.727 723 H ASP 111 H ASP 111 -5.499 23.164 12.566 724 HA ASP 111 HA ASP 111 -6.621 25.363 13.971 725 HB3 ASP 111 HB3 ASP 111 -5.913 25.865 11.858 726 H MET 112 H MET 112 -8.027 24.583 15.549 727 HA MET 112 HA MET 112 -10.768 23.955 14.602 728 HB3 MET 112 HB3 MET 112 -10.546 22.982 17.239 729 HG3 MET 112 HG3 MET 112 -11.882 22.015 15.419 730 HE1 MET 112 HE1 MET 112 -11.300 20.933 11.957 731 HE2 MET 112 HE2 MET 112 -12.474 20.811 13.277 732 HE3 MET 112 HE3 MET 112 -11.710 22.377 12.908 733 H ALA 113 H ALA 113 -12.426 24.861 16.182 734 HA ALA 113 HA ALA 113 -11.994 26.328 18.445 735 HB1 ALA 113 HB1 ALA 113 -10.819 28.095 17.171 736 HB2 ALA 113 HB2 ALA 113 -12.128 28.090 15.964 737 HB3 ALA 113 HB3 ALA 113 -12.432 28.661 17.614 738 H SER 114 H SER 114 -14.051 27.293 19.175 739 HA SER 114 HA SER 114 -16.024 28.144 17.384 740 HB3 SER 114 HB3 SER 114 -16.820 25.755 19.074 741 HG SER 114 HG SER 114 -18.779 26.041 17.805 742 H ASN 115 H ASN 115 -17.882 29.097 18.705 743 HA ASN 115 HA ASN 115 -17.777 29.321 21.491 744 HB3 ASN 115 HB3 ASN 115 -15.816 30.815 21.017 745 HD21 ASN 115 HD22 ASN 115 -16.508 33.659 21.257 746 HD22 ASN 115 HD21 ASN 115 -16.726 34.276 19.619 747 H GLU 116 H GLU 116 -19.619 30.575 22.286 748 HA GLU 116 HA GLU 116 -21.379 32.182 20.849 749 HB3 GLU 116 HB3 GLU 116 -22.915 29.680 21.206 750 HG3 GLU 116 HG3 GLU 116 -23.199 30.191 18.622 751 H GLY 117 H GLY 117 -23.691 31.890 22.220 752 HA2 GLY 117 HA2 GLY 117 -24.403 30.634 24.237 753 HA3 GLY 117 HA3 GLY 117 -23.036 31.345 25.093 754 H SER 118 H SER 118 -25.129 33.237 22.807 755 HA SER 118 HA SER 118 -25.522 35.224 24.859 756 HB3 SER 118 HB3 SER 118 -27.162 34.962 22.318 757 HG SER 118 HG SER 118 -27.030 37.236 22.514 758 H ARG 119 H ARG 119 -27.113 35.312 26.469 759 HA ARG 119 HA ARG 119 -29.721 34.603 26.243 760 HB3 ARG 119 HB3 ARG 119 -28.746 32.258 26.395 761 HG3 ARG 119 HG3 ARG 119 -28.479 31.295 28.625 762 HD3 ARG 119 HD3 ARG 119 -26.409 33.447 27.985 763 HE ARG 119 HE ARG 119 -25.547 31.016 29.243 764 HH11 ARG 119 HH11 ARG 119 -26.578 34.356 29.836 765 HH12 ARG 119 HH12 ARG 119 -25.665 34.572 31.285 766 HH21 ARG 119 HH22 ARG 119 -24.350 31.239 31.206 767 HH22 ARG 119 HH21 ARG 119 -24.373 32.709 32.106 768 H ILE 120 H ILE 120 -30.403 36.224 27.444 769 HA ILE 120 HA ILE 120 -29.430 36.598 30.187 770 HB ILE 120 HB ILE 120 -29.932 39.188 28.755 771 HG13 ILE 120 HG13 ILE 120 -28.353 38.115 27.140 772 HG21 ILE 120 HG21 ILE 120 -29.487 38.917 31.222 773 HG22 ILE 120 HG22 ILE 120 -27.865 38.295 30.823 774 HG23 ILE 120 HG23 ILE 120 -28.321 39.975 30.439 775 HD11 ILE 120 HD11 ILE 120 -28.268 40.577 27.540 776 HD12 ILE 120 HD12 ILE 120 -26.938 40.299 28.694 777 HD13 ILE 120 HD13 ILE 120 -26.742 39.855 26.994 778 H SER 121 H SER 121 -31.135 37.258 31.601 779 HA SER 121 HA SER 121 -33.704 38.103 30.463 780 HB3 SER 121 HB3 SER 121 -34.930 36.404 31.663 781 HG SER 121 HG SER 121 -34.364 34.626 30.500 782 H ALA 122 H ALA 122 -34.116 39.991 31.670 783 HA ALA 122 HA ALA 122 -34.274 39.829 34.502 784 HB1 ALA 122 HB1 ALA 122 -32.284 41.822 33.295 785 HB2 ALA 122 HB2 ALA 122 -32.822 41.795 34.988 786 HB3 ALA 122 HB3 ALA 122 -31.862 40.450 34.349 787 H ALA 123 H ALA 123 -35.180 42.054 35.254 788 HA ALA 123 HA ALA 123 -35.941 43.950 33.259 789 HB1 ALA 123 HB1 ALA 123 -38.392 43.965 33.764 790 HB2 ALA 123 HB2 ALA 123 -37.874 42.512 32.898 791 HB3 ALA 123 HB3 ALA 123 -38.209 42.424 34.638 792 H SER 124 H SER 124 -37.675 43.370 36.351 793 HA SER 124 HA SER 124 -35.844 44.693 38.080 794 HB3 SER 124 HB3 SER 124 -37.529 46.549 38.653 795 HG SER 124 HG SER 124 -35.970 46.455 36.317 796 H VAL 125 H VAL 125 -36.963 44.814 40.315 797 HA VAL 125 HA VAL 125 -39.299 43.045 40.592 798 HB VAL 125 HB VAL 125 -36.634 42.686 42.042 799 HG11 VAL 125 HG11 VAL 125 -39.275 41.172 42.354 800 HG12 VAL 125 HG12 VAL 125 -37.744 40.765 43.158 801 HG13 VAL 125 HG13 VAL 125 -38.560 42.278 43.550 802 HG21 VAL 125 HG21 VAL 125 -36.661 40.393 41.053 803 HG22 VAL 125 HG22 VAL 125 -38.067 40.859 40.067 804 HG23 VAL 125 HG23 VAL 125 -36.496 41.657 39.836 805 H ALA 126 H ALA 126 -40.699 44.505 41.535 806 HA ALA 126 HA ALA 126 -39.814 46.034 43.879 807 HB1 ALA 126 HB1 ALA 126 -40.778 48.125 42.958 808 HB2 ALA 126 HB2 ALA 126 -39.384 47.583 42.003 809 HB3 ALA 126 HB3 ALA 126 -41.039 47.328 41.392 810 H SER 127 H SER 127 -41.324 45.501 45.372 811 HA SER 127 HA SER 127 -44.175 45.728 44.656 812 HB3 SER 127 HB3 SER 127 -44.741 43.626 45.768 813 HG SER 127 HG SER 127 -43.676 43.899 43.415 814 H THR 128 H THR 128 -42.991 47.768 45.815 815 HA THR 128 HA THR 128 -44.010 47.622 48.561 816 HB THR 128 HB THR 128 -42.172 49.332 49.155 817 HG1 THR 128 HG1 THR 128 -40.756 47.948 47.137 818 HG21 THR 128 HG21 THR 128 -42.262 47.070 50.131 819 HG22 THR 128 HG22 THR 128 -40.590 47.581 49.845 820 HG23 THR 128 HG23 THR 128 -41.366 46.414 48.748 821 H ALA 129 H ALA 129 -44.719 49.801 49.285 822 HA ALA 129 HA ALA 129 -45.039 51.937 47.431 823 HB1 ALA 129 HB1 ALA 129 -47.526 51.874 47.431 824 HB2 ALA 129 HB2 ALA 129 -46.882 50.429 46.636 825 HB3 ALA 129 HB3 ALA 129 -47.501 50.328 48.302 826 H ILE 130 H ILE 130 -46.756 53.498 48.759 827 HA ILE 130 HA ILE 130 -46.887 52.991 51.559 828 HB ILE 130 HB ILE 130 -44.713 54.148 51.421 829 HG13 ILE 130 HG13 ILE 130 -46.790 56.043 52.589 830 HG21 ILE 130 HG21 ILE 130 -44.493 56.464 50.632 831 HG22 ILE 130 HG22 ILE 130 -44.995 55.397 49.316 832 HG23 ILE 130 HG23 ILE 130 -46.185 56.461 50.097 833 HD11 ILE 130 HD11 ILE 130 -46.209 54.936 54.742 834 HD12 ILE 130 HD12 ILE 130 -47.029 53.819 53.647 835 HD13 ILE 130 HD13 ILE 130 -45.264 53.717 53.860 836 H ALA 131 H ALA 131 -48.546 54.641 52.486 837 HA ALA 131 HA ALA 131 -50.019 56.276 50.730 838 HB1 ALA 131 HB1 ALA 131 -51.356 53.895 52.112 839 HB2 ALA 131 HB2 ALA 131 -52.196 55.261 51.355 840 HB3 ALA 131 HB3 ALA 131 -51.253 54.141 50.344 Start of MODEL 18 1 H1 GLN 1 H1 GLN 1 -15.775 31.626 51.684 2 HA GLN 1 HA GLN 1 -15.443 31.779 48.745 3 HB3 GLN 1 HB3 GLN 1 -14.949 29.110 49.500 4 HG3 GLN 1 HG3 GLN 1 -13.771 30.268 47.705 5 HE21 GLN 1 HE22 GLN 1 -11.282 31.282 47.444 6 HE22 GLN 1 HE21 GLN 1 -11.172 32.834 48.242 7 H ALA 2 H ALA 2 -16.621 29.995 47.581 8 HA ALA 2 HA ALA 2 -18.771 28.695 49.001 9 HB1 ALA 2 HB1 ALA 2 -20.315 29.073 47.090 10 HB2 ALA 2 HB2 ALA 2 -19.911 30.612 47.871 11 HB3 ALA 2 HB3 ALA 2 -19.136 30.157 46.333 12 H GLN 3 H GLN 3 -19.444 26.862 47.334 13 HA GLN 3 HA GLN 3 -17.044 25.631 46.178 14 HB3 GLN 3 HB3 GLN 3 -18.691 24.221 47.258 15 HG3 GLN 3 HG3 GLN 3 -20.787 25.684 46.456 16 HE21 GLN 3 HE22 GLN 3 -20.705 26.342 44.051 17 HE22 GLN 3 HE21 GLN 3 -21.440 25.174 42.948 18 H GLY 4 H GLY 4 -17.068 25.008 43.797 19 HA2 GLY 4 HA2 GLY 4 -18.788 26.352 41.973 20 HA3 GLY 4 HA3 GLY 4 -17.152 27.063 42.011 21 H VAL 5 H VAL 5 -17.339 26.016 39.657 22 HA VAL 5 HA VAL 5 -16.542 23.210 39.604 23 HB VAL 5 HB VAL 5 -16.302 23.691 37.159 24 HG11 VAL 5 HG11 VAL 5 -19.088 24.237 38.279 25 HG12 VAL 5 HG12 VAL 5 -18.697 23.631 36.657 26 HG13 VAL 5 HG13 VAL 5 -18.339 22.638 38.078 27 HG21 VAL 5 HG21 VAL 5 -17.756 26.326 37.719 28 HG22 VAL 5 HG22 VAL 5 -16.049 26.179 37.238 29 HG23 VAL 5 HG23 VAL 5 -17.323 25.651 36.138 30 H LEU 6 H LEU 6 -14.478 22.764 38.957 31 HA LEU 6 HA LEU 6 -12.443 24.825 38.611 32 HB3 LEU 6 HB3 LEU 6 -10.824 23.595 39.986 33 HG LEU 6 HG LEU 6 -12.291 25.535 41.027 34 HD11 LEU 6 HD11 LEU 6 -13.341 24.864 43.164 35 HD12 LEU 6 HD12 LEU 6 -13.038 23.149 42.798 36 HD13 LEU 6 HD13 LEU 6 -14.173 24.086 41.822 37 HD21 LEU 6 HD21 LEU 6 -10.955 25.325 43.096 38 HD22 LEU 6 HD22 LEU 6 -9.984 24.960 41.662 39 HD23 LEU 6 HD23 LEU 6 -10.580 23.633 42.681 40 H ALA 7 H ALA 7 -10.618 23.868 37.353 41 HA ALA 7 HA ALA 7 -10.508 21.130 36.720 42 HB1 ALA 7 HB1 ALA 7 -11.385 23.004 34.445 43 HB2 ALA 7 HB2 ALA 7 -10.900 21.306 34.253 44 HB3 ALA 7 HB3 ALA 7 -12.382 21.704 35.131 45 H SER 8 H SER 8 -8.768 20.718 35.115 46 HA SER 8 HA SER 8 -6.643 22.736 35.344 47 HB3 SER 8 HB3 SER 8 -6.169 20.785 36.534 48 HG SER 8 HG SER 8 -6.023 18.742 35.210 49 H GLN 9 H GLN 9 -5.958 23.653 33.469 50 HA GLN 9 HA GLN 9 -6.796 22.452 30.871 51 HB3 GLN 9 HB3 GLN 9 -7.521 24.689 30.135 52 HG3 GLN 9 HG3 GLN 9 -9.517 25.087 31.583 53 HE21 GLN 9 HE22 GLN 9 -11.501 23.553 31.688 54 HE22 GLN 9 HE21 GLN 9 -11.537 22.344 30.419 55 H ALA 10 H ALA 10 -4.714 21.820 30.388 56 HA ALA 10 HA ALA 10 -2.570 23.875 30.268 57 HB1 ALA 10 HB1 ALA 10 -2.362 21.152 31.609 58 HB2 ALA 10 HB2 ALA 10 -1.006 22.243 31.247 59 HB3 ALA 10 HB3 ALA 10 -2.257 22.744 32.401 60 H LEU 11 H LEU 11 -2.566 23.950 28.044 61 HA LEU 11 HA LEU 11 -1.703 21.486 26.639 62 HB3 LEU 11 HB3 LEU 11 -3.971 21.789 25.953 63 HG LEU 11 HG LEU 11 -3.339 24.730 25.799 64 HD11 LEU 11 HD11 LEU 11 -3.646 24.238 23.445 65 HD12 LEU 11 HD12 LEU 11 -5.068 25.086 24.076 66 HD13 LEU 11 HD13 LEU 11 -5.134 23.335 23.782 67 HD21 LEU 11 HD21 LEU 11 -4.902 23.804 27.523 68 HD22 LEU 11 HD22 LEU 11 -5.943 23.198 26.223 69 HD23 LEU 11 HD23 LEU 11 -5.684 24.945 26.435 70 H SER 12 H SER 12 -0.011 21.808 25.201 71 HA SER 12 HA SER 12 0.986 24.375 24.439 72 HB3 SER 12 HB3 SER 12 2.422 22.906 26.671 73 HG SER 12 HG SER 12 2.942 25.307 25.233 74 H GLN 13 H GLN 13 1.229 23.545 22.381 75 HA GLN 13 HA GLN 13 3.633 21.869 22.038 76 HB3 GLN 13 HB3 GLN 13 2.237 21.256 19.764 77 HG3 GLN 13 HG3 GLN 13 1.936 19.571 22.265 78 HE21 GLN 13 HE22 GLN 13 2.099 17.173 21.681 79 HE22 GLN 13 HE21 GLN 13 1.838 16.693 20.019 80 H GLY 14 H GLY 14 4.512 22.188 19.779 81 HA2 GLY 14 HA2 GLY 14 4.286 25.007 18.891 82 HA3 GLY 14 HA3 GLY 14 5.567 23.863 18.484 83 H SER 15 H SER 15 5.382 23.431 16.261 84 HA SER 15 HA SER 15 3.112 22.040 15.355 85 HB3 SER 15 HB3 SER 15 3.690 24.447 13.656 86 HG SER 15 HG SER 15 1.423 24.025 13.139 87 H GLU 16 H GLU 16 3.517 21.274 13.271 88 HA GLU 16 HA GLU 16 6.331 21.217 12.332 89 HB3 GLU 16 HB3 GLU 16 5.993 19.082 13.299 90 HG3 GLU 16 HG3 GLU 16 3.633 18.604 11.434 91 HA PRO 17 HA PRO 17 3.791 22.721 8.798 92 HB3 PRO 17 HB3 PRO 17 4.050 24.942 9.480 93 HG3 PRO 17 HG3 PRO 17 6.009 25.673 10.626 94 HD3 PRO 17 HD3 PRO 17 5.250 23.932 11.968 95 H SER 18 H SER 18 4.516 20.770 7.628 96 HA SER 18 HA SER 18 6.615 21.581 5.800 97 HB3 SER 18 HB3 SER 18 6.917 18.885 7.170 98 HG SER 18 HG SER 18 8.382 20.271 5.145 99 H SER 19 H SER 19 4.280 18.889 6.595 100 HA SER 19 HA SER 19 4.256 17.873 3.969 101 HB3 SER 19 HB3 SER 19 1.675 17.494 5.270 102 HG SER 19 HG SER 19 2.355 15.759 4.224 103 H GLU 20 H GLU 20 2.566 20.609 5.308 104 HA GLU 20 HA GLU 20 1.390 22.267 4.469 105 HB3 GLU 20 HB3 GLU 20 1.651 21.427 1.593 106 HG3 GLU 20 HG3 GLU 20 0.679 23.651 2.535 107 H ASN 21 H ASN 21 0.563 19.669 2.156 108 HA ASN 21 HA ASN 21 -2.324 20.020 2.669 109 HB3 ASN 21 HB3 ASN 21 -2.529 17.940 1.221 110 HD21 ASN 21 HD22 ASN 21 -3.081 20.763 1.025 111 HD22 ASN 21 HD21 ASN 21 -2.604 21.324 -0.551 112 H ALA 22 H ALA 22 -3.531 17.958 3.357 113 HA ALA 22 HA ALA 22 -2.027 16.622 5.531 114 HB1 ALA 22 HB1 ALA 22 -3.104 18.662 6.477 115 HB2 ALA 22 HB2 ALA 22 -4.670 18.125 5.804 116 HB3 ALA 22 HB3 ALA 22 -3.890 17.187 7.082 117 H ASN 23 H ASN 23 -2.248 14.491 5.185 118 HA ASN 23 HA ASN 23 -4.898 13.421 4.621 119 HB3 ASN 23 HB3 ASN 23 -2.620 12.965 2.665 120 HD21 ASN 23 HD22 ASN 23 -5.955 12.091 3.746 121 HD22 ASN 23 HD21 ASN 23 -6.270 11.088 2.368 122 H ASP 24 H ASP 24 -4.197 10.871 3.922 123 HA ASP 24 HA ASP 24 -3.050 9.777 6.386 124 HB3 ASP 24 HB3 ASP 24 -5.171 9.810 7.145 125 H THR 25 H THR 25 -1.619 8.254 5.747 126 HA THR 25 HA THR 25 -1.997 6.548 3.420 127 HB THR 25 HB THR 25 0.170 8.703 3.585 128 HG1 THR 25 HG1 THR 25 -2.292 8.818 2.582 129 HG21 THR 25 HG21 THR 25 1.045 6.737 2.473 130 HG22 THR 25 HG22 THR 25 0.763 7.993 1.281 131 HG23 THR 25 HG23 THR 25 -0.384 6.638 1.411 132 H ILE 26 H ILE 26 -0.704 4.690 3.734 133 HA ILE 26 HA ILE 26 1.226 4.702 6.013 134 HB ILE 26 HB ILE 26 -0.178 2.439 4.587 135 HG13 ILE 26 HG13 ILE 26 -1.164 1.880 6.739 136 HG21 ILE 26 HG21 ILE 26 0.903 0.905 6.251 137 HG22 ILE 26 HG22 ILE 26 2.007 1.572 5.061 138 HG23 ILE 26 HG23 ILE 26 1.988 2.230 6.711 139 HD11 ILE 26 HD11 ILE 26 0.501 3.012 8.282 140 HD12 ILE 26 HD12 ILE 26 -0.237 4.564 7.799 141 HD13 ILE 26 HD13 ILE 26 -1.200 3.327 8.621 142 H ILE 27 H ILE 27 3.276 3.651 5.508 143 HA ILE 27 HA ILE 27 4.172 3.919 2.710 144 HB ILE 27 HB ILE 27 4.583 6.016 4.184 145 HG13 ILE 27 HG13 ILE 27 6.878 4.702 2.695 146 HG21 ILE 27 HG21 ILE 27 6.839 4.369 5.350 147 HG22 ILE 27 HG22 ILE 27 6.385 6.046 5.726 148 HG23 ILE 27 HG23 ILE 27 5.320 4.713 6.193 149 HD11 ILE 27 HD11 ILE 27 6.452 6.648 1.163 150 HD12 ILE 27 HD12 ILE 27 5.060 5.553 1.285 151 HD13 ILE 27 HD13 ILE 27 5.070 7.102 2.164 152 H LEU 28 H LEU 28 6.355 2.735 2.551 153 HA LEU 28 HA LEU 28 6.770 0.706 4.703 154 HB3 LEU 28 HB3 LEU 28 7.713 -0.773 2.937 155 HG LEU 28 HG LEU 28 5.767 -1.738 2.003 156 HD11 LEU 28 HD11 LEU 28 5.123 -0.857 4.835 157 HD12 LEU 28 HD12 LEU 28 6.283 -2.116 4.418 158 HD13 LEU 28 HD13 LEU 28 4.568 -2.331 4.030 159 HD21 LEU 28 HD21 LEU 28 3.863 0.271 3.182 160 HD22 LEU 28 HD22 LEU 28 3.623 -0.923 1.897 161 HD23 LEU 28 HD23 LEU 28 4.539 0.558 1.577 162 H ARG 29 H ARG 29 9.005 0.310 5.109 163 HA ARG 29 HA ARG 29 11.035 1.748 3.527 164 HB3 ARG 29 HB3 ARG 29 12.202 2.529 5.505 165 HG3 ARG 29 HG3 ARG 29 9.307 3.327 5.954 166 HD3 ARG 29 HD3 ARG 29 11.264 3.988 7.610 167 HE ARG 29 HE ARG 29 12.016 5.457 5.214 168 HH11 ARG 29 HH11 ARG 29 11.918 5.875 8.785 169 HH12 ARG 29 HH12 ARG 29 12.808 7.338 8.715 170 HH21 ARG 29 HH22 ARG 29 13.159 7.344 5.202 171 HH22 ARG 29 HH21 ARG 29 13.686 8.135 6.654 172 H ASN 30 H ASN 30 13.207 0.852 4.342 173 HA ASN 30 HA ASN 30 14.654 -0.876 4.393 174 HB3 ASN 30 HB3 ASN 30 12.876 -2.478 6.231 175 HD21 ASN 30 HD22 ASN 30 14.026 -4.398 6.135 176 HD22 ASN 30 HD21 ASN 30 15.719 -4.488 6.574 177 H LEU 31 H LEU 31 13.623 -0.821 2.164 178 HA LEU 31 HA LEU 31 12.850 -3.593 1.517 179 HB3 LEU 31 HB3 LEU 31 11.656 -2.686 -0.488 180 HG LEU 31 HG LEU 31 10.411 -1.788 2.149 181 HD11 LEU 31 HD11 LEU 31 9.282 -0.812 0.205 182 HD12 LEU 31 HD12 LEU 31 8.273 -2.048 0.985 183 HD13 LEU 31 HD13 LEU 31 9.123 -2.430 -0.530 184 HD21 LEU 31 HD21 LEU 31 10.250 -4.396 0.579 185 HD22 LEU 31 HD22 LEU 31 9.182 -3.978 1.928 186 HD23 LEU 31 HD23 LEU 31 10.914 -4.116 2.230 187 H ASN 32 H ASN 32 13.680 -4.373 -0.425 188 HA ASN 32 HA ASN 32 16.363 -3.283 -0.920 189 HB3 ASN 32 HB3 ASN 32 15.963 -5.436 0.261 190 HD21 ASN 32 HD22 ASN 32 16.536 -7.782 -1.810 191 HD22 ASN 32 HD21 ASN 32 14.961 -8.306 -2.153 192 HA PRO 33 HA PRO 33 15.722 -2.587 -5.120 193 HB3 PRO 33 HB3 PRO 33 17.681 -2.947 -6.309 194 HG3 PRO 33 HG3 PRO 33 18.891 -2.749 -4.361 195 HD3 PRO 33 HD3 PRO 33 18.015 -3.622 -2.350 196 H HIS 34 H HIS 34 15.592 -5.999 -4.248 197 HA HIS 34 HA HIS 34 13.882 -6.628 -6.543 198 HB3 HIS 34 HB3 HIS 34 14.445 -8.971 -5.760 199 HD1 HIS 34 HD1 HIS 34 15.036 -8.063 -8.429 200 HD2 HIS 34 HD2 HIS 34 17.906 -7.470 -5.414 201 HE1 HIS 34 HE1 HIS 34 17.254 -7.558 -9.613 202 H SER 35 H SER 35 13.106 -5.646 -3.313 203 HA SER 35 HA SER 35 11.275 -7.547 -2.637 204 HB3 SER 35 HB3 SER 35 11.587 -5.681 -1.155 205 HG SER 35 HG SER 35 11.767 -4.080 -2.972 206 H THR 36 H THR 36 9.404 -8.250 -3.222 207 HA THR 36 HA THR 36 7.861 -7.023 -5.437 208 HB THR 36 HB THR 36 6.829 -9.481 -5.289 209 HG1 THR 36 HG1 THR 36 8.428 -10.972 -4.710 210 HG21 THR 36 HG21 THR 36 8.617 -10.156 -6.921 211 HG22 THR 36 HG22 THR 36 9.554 -8.732 -6.439 212 HG23 THR 36 HG23 THR 36 7.947 -8.533 -7.196 213 H MET 37 H MET 37 5.478 -7.147 -5.292 214 HA MET 37 HA MET 37 4.934 -5.672 -2.873 215 HB3 MET 37 HB3 MET 37 3.967 -5.504 -5.366 216 HG3 MET 37 HG3 MET 37 1.597 -6.627 -3.886 217 HE1 MET 37 HE1 MET 37 1.156 -4.020 -4.928 218 HE2 MET 37 HE2 MET 37 2.220 -3.914 -6.339 219 HE3 MET 37 HE3 MET 37 0.457 -3.847 -6.547 220 H ASP 38 H ASP 38 4.621 -8.966 -3.807 221 HA ASP 38 HA ASP 38 2.420 -9.853 -2.426 222 HB3 ASP 38 HB3 ASP 38 3.615 -12.092 -2.510 223 H SER 39 H SER 39 5.616 -9.120 -1.208 224 HA SER 39 HA SER 39 5.581 -10.217 1.381 225 HB3 SER 39 HB3 SER 39 7.560 -9.161 0.557 226 HG SER 39 HG SER 39 6.872 -7.479 -0.770 227 H ILE 40 H ILE 40 4.371 -7.049 0.282 228 HA ILE 40 HA ILE 40 3.281 -6.299 2.825 229 HB ILE 40 HB ILE 40 2.834 -5.228 0.006 230 HG13 ILE 40 HG13 ILE 40 5.250 -5.203 1.395 231 HG21 ILE 40 HG21 ILE 40 2.230 -3.908 2.680 232 HG22 ILE 40 HG22 ILE 40 2.177 -3.091 1.103 233 HG23 ILE 40 HG23 ILE 40 1.049 -4.407 1.455 234 HD11 ILE 40 HD11 ILE 40 4.250 -3.034 -0.491 235 HD12 ILE 40 HD12 ILE 40 5.944 -3.369 -0.065 236 HD13 ILE 40 HD13 ILE 40 5.017 -4.574 -0.964 237 H LEU 41 H LEU 41 1.824 -7.488 -0.247 238 HA LEU 41 HA LEU 41 -0.860 -7.360 0.680 239 HB3 LEU 41 HB3 LEU 41 -1.221 -9.217 -1.120 240 HG LEU 41 HG LEU 41 0.072 -6.594 -1.926 241 HD11 LEU 41 HD11 LEU 41 -0.007 -8.419 -3.685 242 HD12 LEU 41 HD12 LEU 41 -0.905 -6.954 -4.075 243 HD13 LEU 41 HD13 LEU 41 -1.777 -8.408 -3.526 244 HD21 LEU 41 HD21 LEU 41 -2.857 -7.369 -1.488 245 HD22 LEU 41 HD22 LEU 41 -2.327 -5.896 -2.319 246 HD23 LEU 41 HD23 LEU 41 -1.950 -6.112 -0.620 247 H GLY 42 H GLY 42 1.502 -10.039 0.947 248 HA2 GLY 42 HA2 GLY 42 -0.464 -11.882 2.055 249 HA3 GLY 42 HA3 GLY 42 1.284 -12.112 1.944 250 H ALA 43 H ALA 43 1.858 -9.481 3.353 251 HA ALA 43 HA ALA 43 1.916 -10.389 6.055 252 HB1 ALA 43 HB1 ALA 43 3.513 -8.693 5.302 253 HB2 ALA 43 HB2 ALA 43 2.216 -7.607 4.815 254 HB3 ALA 43 HB3 ALA 43 2.463 -7.958 6.519 255 H LEU 44 H LEU 44 -0.083 -8.040 4.294 256 HA LEU 44 HA LEU 44 -1.488 -7.379 6.765 257 HB3 LEU 44 HB3 LEU 44 -2.300 -5.469 5.433 258 HG LEU 44 HG LEU 44 0.664 -5.824 4.813 259 HD11 LEU 44 HD11 LEU 44 0.763 -3.426 5.013 260 HD12 LEU 44 HD12 LEU 44 -0.937 -3.348 5.513 261 HD13 LEU 44 HD13 LEU 44 -0.515 -3.861 3.864 262 HD21 LEU 44 HD21 LEU 44 -0.623 -5.157 7.460 263 HD22 LEU 44 HD22 LEU 44 1.071 -4.742 7.052 264 HD23 LEU 44 HD23 LEU 44 0.566 -6.423 7.112 265 H ALA 45 H ALA 45 -2.138 -9.550 4.299 266 HA ALA 45 HA ALA 45 -4.730 -9.218 3.558 267 HB1 ALA 45 HB1 ALA 45 -3.173 -11.774 4.090 268 HB2 ALA 45 HB2 ALA 45 -4.786 -11.751 3.350 269 HB3 ALA 45 HB3 ALA 45 -3.428 -10.935 2.560 270 HA PRO 46 HA PRO 46 -6.798 -11.429 7.153 271 HB3 PRO 46 HB3 PRO 46 -5.549 -13.131 8.087 272 HG3 PRO 46 HG3 PRO 46 -3.180 -12.875 8.427 273 HD3 PRO 46 HD3 PRO 46 -3.570 -12.384 6.154 274 H TYR 47 H TYR 47 -4.784 -8.713 7.514 275 HA TYR 47 HA TYR 47 -6.213 -7.731 9.935 276 HB3 TYR 47 HB3 TYR 47 -4.263 -6.400 10.327 277 HD1 TYR 47 HD1 TYR 47 -5.051 -9.048 11.358 278 HD2 TYR 47 HD2 TYR 47 -1.603 -7.977 9.009 279 HE1 TYR 47 HE1 TYR 47 -3.818 -10.973 12.302 280 HE2 TYR 47 HE2 TYR 47 -0.362 -9.912 9.924 281 HH TYR 47 HH TYR 47 -0.637 -12.001 11.168 282 H ALA 48 H ALA 48 -6.719 -7.634 6.783 283 HA ALA 48 HA ALA 48 -7.586 -4.808 6.753 284 HB1 ALA 48 HB1 ALA 48 -6.238 -4.197 4.843 285 HB2 ALA 48 HB2 ALA 48 -5.140 -4.871 6.060 286 HB3 ALA 48 HB3 ALA 48 -5.617 -5.859 4.669 287 H VAL 49 H VAL 49 -8.539 -4.224 4.644 288 HA VAL 49 HA VAL 49 -9.632 -6.405 3.030 289 HB VAL 49 HB VAL 49 -11.311 -5.985 4.586 290 HG11 VAL 49 HG11 VAL 49 -11.191 -3.023 3.999 291 HG12 VAL 49 HG12 VAL 49 -12.397 -3.852 5.021 292 HG13 VAL 49 HG13 VAL 49 -10.700 -3.825 5.498 293 HG21 VAL 49 HG21 VAL 49 -11.982 -6.240 2.201 294 HG22 VAL 49 HG22 VAL 49 -13.160 -5.335 3.172 295 HG23 VAL 49 HG23 VAL 49 -12.074 -4.471 2.057 296 H LEU 50 H LEU 50 -7.921 -5.899 1.641 297 HA LEU 50 HA LEU 50 -8.178 -3.530 -0.009 298 HB3 LEU 50 HB3 LEU 50 -7.004 -2.530 1.720 299 HG LEU 50 HG LEU 50 -5.675 -4.664 2.543 300 HD11 LEU 50 HD11 LEU 50 -4.426 -5.217 0.513 301 HD12 LEU 50 HD12 LEU 50 -3.308 -4.613 1.719 302 HD13 LEU 50 HD13 LEU 50 -3.812 -3.551 0.379 303 HD21 LEU 50 HD21 LEU 50 -4.468 -1.885 2.232 304 HD22 LEU 50 HD22 LEU 50 -3.992 -3.089 3.468 305 HD23 LEU 50 HD23 LEU 50 -5.629 -2.389 3.466 306 H SER 51 H SER 51 -6.352 -3.635 -1.761 307 HA SER 51 HA SER 51 -5.494 -6.400 -2.345 308 HB3 SER 51 HB3 SER 51 -7.100 -4.740 -4.326 309 HG SER 51 HG SER 51 -7.479 -7.336 -4.529 310 H SER 52 H SER 52 -4.587 -6.142 -4.800 311 HA SER 52 HA SER 52 -2.054 -4.926 -4.477 312 HB3 SER 52 HB3 SER 52 -2.351 -6.969 -5.672 313 HG SER 52 HG SER 52 -3.976 -7.318 -6.827 314 H SER 53 H SER 53 -4.966 -3.502 -5.544 315 HA SER 53 HA SER 53 -3.790 -1.319 -7.094 316 HB3 SER 53 HB3 SER 53 -6.086 -0.337 -6.658 317 HG SER 53 HG SER 53 -6.153 -3.051 -7.596 318 H ASN 54 H ASN 54 -4.830 -1.832 -3.694 319 HA ASN 54 HA ASN 54 -4.617 0.872 -2.848 320 HB3 ASN 54 HB3 ASN 54 -4.556 -0.058 -0.552 321 HD21 ASN 54 HD22 ASN 54 -6.665 0.649 -0.229 322 HD22 ASN 54 HD21 ASN 54 -8.042 -0.261 -0.786 323 H VAL 55 H VAL 55 -2.387 -1.886 -2.696 324 HA VAL 55 HA VAL 55 -0.175 -0.394 -1.498 325 HB VAL 55 HB VAL 55 -0.347 -2.729 -0.994 326 HG11 VAL 55 HG11 VAL 55 -0.544 -3.213 -3.946 327 HG12 VAL 55 HG12 VAL 55 -0.033 -4.480 -2.806 328 HG13 VAL 55 HG13 VAL 55 -1.611 -3.714 -2.627 329 HG21 VAL 55 HG21 VAL 55 1.953 -1.821 -1.284 330 HG22 VAL 55 HG22 VAL 55 1.840 -3.562 -1.595 331 HG23 VAL 55 HG23 VAL 55 1.958 -2.434 -2.958 332 H ARG 56 H ARG 56 1.526 0.558 -2.638 333 HA ARG 56 HA ARG 56 1.624 0.207 -5.551 334 HB3 ARG 56 HB3 ARG 56 1.717 3.005 -4.368 335 HG3 ARG 56 HG3 ARG 56 2.384 2.445 -6.826 336 HD3 ARG 56 HD3 ARG 56 -0.087 2.848 -8.049 337 HE ARG 56 HE ARG 56 0.384 0.048 -7.990 338 HH11 ARG 56 HH11 ARG 56 1.866 3.045 -9.197 339 HH12 ARG 56 HH12 ARG 56 2.584 2.300 -10.575 340 HH21 ARG 56 HH22 ARG 56 1.096 -0.816 -9.927 341 HH22 ARG 56 HH21 ARG 56 2.320 -0.114 -10.875 342 H VAL 57 H VAL 57 3.611 -0.538 -5.832 343 HA VAL 57 HA VAL 57 5.774 0.519 -4.079 344 HB VAL 57 HB VAL 57 5.355 -1.738 -3.627 345 HG11 VAL 57 HG11 VAL 57 4.426 -2.604 -5.716 346 HG12 VAL 57 HG12 VAL 57 6.024 -2.441 -6.492 347 HG13 VAL 57 HG13 VAL 57 5.789 -3.580 -5.153 348 HG21 VAL 57 HG21 VAL 57 7.691 -2.551 -3.928 349 HG22 VAL 57 HG22 VAL 57 7.946 -1.331 -5.200 350 HG23 VAL 57 HG23 VAL 57 7.679 -0.823 -3.536 351 H ILE 58 H ILE 58 6.467 2.161 -5.029 352 HA ILE 58 HA ILE 58 6.792 2.585 -7.842 353 HB ILE 58 HB ILE 58 8.153 3.968 -5.494 354 HG13 ILE 58 HG13 ILE 58 6.231 5.570 -5.413 355 HG21 ILE 58 HG21 ILE 58 7.354 5.107 -8.197 356 HG22 ILE 58 HG22 ILE 58 8.011 6.025 -6.825 357 HG23 ILE 58 HG23 ILE 58 9.001 4.800 -7.607 358 HD11 ILE 58 HD11 ILE 58 4.018 4.816 -6.140 359 HD12 ILE 58 HD12 ILE 58 5.072 5.091 -7.543 360 HD13 ILE 58 HD13 ILE 58 4.720 3.438 -6.992 361 H LYS 59 H LYS 59 8.788 2.833 -9.036 362 HA LYS 59 HA LYS 59 11.092 1.237 -8.005 363 HB3 LYS 59 HB3 LYS 59 11.585 0.609 -10.370 364 HG3 LYS 59 HG3 LYS 59 8.758 -0.167 -9.487 365 HD3 LYS 59 HD3 LYS 59 9.755 -2.366 -10.708 366 HE3 LYS 59 HE3 LYS 59 8.822 -1.539 -12.935 367 HZ1 LYS 59 HZ1 LYS 59 6.585 -1.391 -12.110 368 HZ2 LYS 59 HZ2 LYS 59 7.093 -1.180 -10.567 369 HZ3 LYS 59 HZ3 LYS 59 7.373 -2.607 -11.318 370 H ASP 60 H ASP 60 13.124 1.850 -9.461 371 HA ASP 60 HA ASP 60 13.538 4.744 -9.539 372 HB3 ASP 60 HB3 ASP 60 15.197 2.463 -10.673 373 H LYS 61 H LYS 61 14.664 5.415 -11.795 374 HA LYS 61 HA LYS 61 12.662 5.005 -13.953 375 HB3 LYS 61 HB3 LYS 61 14.458 7.291 -13.144 376 HG3 LYS 61 HG3 LYS 61 14.438 7.348 -15.569 377 HD3 LYS 61 HD3 LYS 61 12.416 6.013 -16.066 378 HE3 LYS 61 HE3 LYS 61 10.812 8.504 -15.386 379 HZ1 LYS 61 HZ1 LYS 61 8.969 7.013 -15.678 380 HZ2 LYS 61 HZ2 LYS 61 9.934 5.707 -15.804 381 HZ3 LYS 61 HZ3 LYS 61 9.957 6.842 -16.994 382 H GLN 62 H GLN 62 16.154 5.298 -13.204 383 HA GLN 62 HA GLN 62 17.039 4.897 -15.953 384 HB3 GLN 62 HB3 GLN 62 19.227 5.054 -15.072 385 HG3 GLN 62 HG3 GLN 62 17.579 6.796 -13.170 386 HE21 GLN 62 HE22 GLN 62 19.886 6.117 -11.992 387 HE22 GLN 62 HE21 GLN 62 21.097 7.360 -12.243 388 H THR 63 H THR 63 16.391 3.016 -13.059 389 HA THR 63 HA THR 63 16.700 0.516 -14.529 390 HB THR 63 HB THR 63 18.206 -0.203 -13.182 391 HG1 THR 63 HG1 THR 63 17.544 -1.266 -11.930 392 HG21 THR 63 HG21 THR 63 19.336 1.037 -11.378 393 HG22 THR 63 HG22 THR 63 18.106 2.316 -11.506 394 HG23 THR 63 HG23 THR 63 19.190 1.993 -12.860 395 H GLN 64 H GLN 64 15.387 -1.220 -13.258 396 HA GLN 64 HA GLN 64 12.759 -0.115 -12.427 397 HB3 GLN 64 HB3 GLN 64 11.841 -2.206 -13.564 398 HG3 GLN 64 HG3 GLN 64 12.023 -1.249 -15.878 399 HE21 GLN 64 HE22 GLN 64 12.478 1.697 -13.868 400 HE22 GLN 64 HE21 GLN 64 10.788 2.052 -13.732 401 H LEU 65 H LEU 65 14.808 -0.485 -10.763 402 HA LEU 65 HA LEU 65 14.006 -2.909 -9.153 403 HB3 LEU 65 HB3 LEU 65 15.959 -2.596 -7.794 404 HG LEU 65 HG LEU 65 16.634 -2.484 -10.731 405 HD11 LEU 65 HD11 LEU 65 18.386 -1.236 -9.443 406 HD12 LEU 65 HD12 LEU 65 19.023 -2.746 -10.118 407 HD13 LEU 65 HD13 LEU 65 18.592 -2.646 -8.394 408 HD21 LEU 65 HD21 LEU 65 15.813 -4.598 -9.960 409 HD22 LEU 65 HD22 LEU 65 17.172 -4.712 -8.798 410 HD23 LEU 65 HD23 LEU 65 17.478 -4.599 -10.569 411 H ASN 66 H ASN 66 13.866 -2.284 -6.803 412 HA ASN 66 HA ASN 66 11.932 -0.143 -6.531 413 HB3 ASN 66 HB3 ASN 66 12.079 -0.639 -4.114 414 HD21 ASN 66 HD22 ASN 66 12.859 -3.838 -4.971 415 HD22 ASN 66 HD21 ASN 66 11.242 -4.394 -5.326 416 H ARG 67 H ARG 67 12.054 1.702 -5.120 417 HA ARG 67 HA ARG 67 14.730 2.952 -4.748 418 HB3 ARG 67 HB3 ARG 67 13.288 4.987 -4.216 419 HG3 ARG 67 HG3 ARG 67 13.065 3.945 -7.049 420 HD3 ARG 67 HD3 ARG 67 12.812 6.632 -5.700 421 HE ARG 67 HE ARG 67 13.603 7.013 -8.423 422 HH11 ARG 67 HH11 ARG 67 14.978 6.688 -5.153 423 HH12 ARG 67 HH12 ARG 67 16.482 7.433 -5.562 424 HH21 ARG 67 HH22 ARG 67 15.537 7.990 -8.952 425 HH22 ARG 67 HH21 ARG 67 16.826 8.141 -7.812 426 H GLY 68 H GLY 68 13.189 0.689 -3.168 427 HA2 GLY 68 HA2 GLY 68 13.663 -0.022 -1.071 428 HA3 GLY 68 HA3 GLY 68 14.378 1.543 -0.681 429 H PHE 69 H PHE 69 11.130 1.760 -1.917 430 HA PHE 69 HA PHE 69 9.962 1.636 0.786 431 HB3 PHE 69 HB3 PHE 69 10.885 4.027 0.220 432 HD1 PHE 69 HD1 PHE 69 10.839 4.008 -2.558 433 HD2 PHE 69 HD2 PHE 69 7.563 5.058 0.036 434 HE1 PHE 69 HE1 PHE 69 9.841 5.391 -4.364 435 HE2 PHE 69 HE2 PHE 69 6.592 6.462 -1.736 436 HZ PHE 69 HZ PHE 69 7.735 6.655 -3.945 437 H ALA 70 H ALA 70 7.483 2.257 0.514 438 HA ALA 70 HA ALA 70 6.330 1.989 -2.063 439 HB1 ALA 70 HB1 ALA 70 4.874 0.021 -1.604 440 HB2 ALA 70 HB2 ALA 70 6.582 -0.446 -1.613 441 HB3 ALA 70 HB3 ALA 70 5.732 -0.273 -0.086 442 H PHE 71 H PHE 71 3.784 1.942 -1.618 443 HA PHE 71 HA PHE 71 3.079 3.866 0.555 444 HB3 PHE 71 HB3 PHE 71 1.523 4.500 -1.576 445 HD1 PHE 71 HD1 PHE 71 2.660 5.956 0.747 446 HD2 PHE 71 HD2 PHE 71 3.814 5.849 -3.435 447 HE1 PHE 71 HE1 PHE 71 3.349 8.260 0.878 448 HE2 PHE 71 HE2 PHE 71 4.552 8.207 -3.270 449 HZ PHE 71 HZ PHE 71 4.292 9.445 -1.132 450 H ILE 72 H ILE 72 0.870 3.469 1.384 451 HA ILE 72 HA ILE 72 -0.758 1.504 -0.099 452 HB ILE 72 HB ILE 72 -0.640 1.333 2.899 453 HG13 ILE 72 HG13 ILE 72 1.633 0.793 2.222 454 HG21 ILE 72 HG21 ILE 72 -2.607 0.407 1.537 455 HG22 ILE 72 HG22 ILE 72 -1.468 -0.732 0.797 456 HG23 ILE 72 HG23 ILE 72 -1.799 -0.775 2.542 457 HD11 ILE 72 HD11 ILE 72 0.200 -1.798 2.864 458 HD12 ILE 72 HD12 ILE 72 1.857 -1.349 3.266 459 HD13 ILE 72 HD13 ILE 72 0.513 -0.521 4.064 460 H GLN 73 H GLN 73 -2.770 2.168 -0.352 461 HA GLN 73 HA GLN 73 -3.773 4.684 0.745 462 HB3 GLN 73 HB3 GLN 73 -5.727 4.098 -0.766 463 HG3 GLN 73 HG3 GLN 73 -2.947 4.077 -2.010 464 HE21 GLN 73 HE22 GLN 73 -4.211 6.358 -3.604 465 HE22 GLN 73 HE21 GLN 73 -5.203 5.599 -4.847 466 H LEU 74 H LEU 74 -4.771 4.729 2.643 467 HA LEU 74 HA LEU 74 -6.640 2.629 3.581 468 HB3 LEU 74 HB3 LEU 74 -5.694 3.418 5.928 469 HG LEU 74 HG LEU 74 -3.704 1.735 5.856 470 HD11 LEU 74 HD11 LEU 74 -5.628 1.289 7.102 471 HD12 LEU 74 HD12 LEU 74 -5.295 -0.171 6.172 472 HD13 LEU 74 HD13 LEU 74 -6.610 0.910 5.655 473 HD21 LEU 74 HD21 LEU 74 -3.792 -0.047 4.262 474 HD22 LEU 74 HD22 LEU 74 -3.582 1.476 3.394 475 HD23 LEU 74 HD23 LEU 74 -5.177 0.662 3.429 476 H SER 75 H SER 75 -8.191 3.587 5.152 477 HA SER 75 HA SER 75 -8.860 6.337 4.612 478 HB3 SER 75 HB3 SER 75 -10.844 5.310 4.946 479 HG SER 75 HG SER 75 -10.402 3.232 5.039 480 H THR 76 H THR 76 -9.478 7.786 6.538 481 HA THR 76 HA THR 76 -7.310 8.759 7.670 482 HB THR 76 HB THR 76 -9.739 9.090 9.359 483 HG1 THR 76 HG1 THR 76 -11.065 9.420 7.878 484 HG21 THR 76 HG21 THR 76 -7.832 10.651 9.487 485 HG22 THR 76 HG22 THR 76 -9.308 11.475 8.941 486 HG23 THR 76 HG23 THR 76 -8.040 11.060 7.770 487 H ILE 77 H ILE 77 -9.566 6.768 9.712 488 HA ILE 77 HA ILE 77 -7.706 6.814 11.941 489 HB ILE 77 HB ILE 77 -10.241 5.205 11.403 490 HG13 ILE 77 HG13 ILE 77 -10.619 7.592 11.630 491 HG21 ILE 77 HG21 ILE 77 -10.207 4.550 13.798 492 HG22 ILE 77 HG22 ILE 77 -8.859 3.872 12.924 493 HG23 ILE 77 HG23 ILE 77 -8.593 5.287 13.964 494 HD11 ILE 77 HD11 ILE 77 -12.099 7.766 13.466 495 HD12 ILE 77 HD12 ILE 77 -12.188 6.079 12.926 496 HD13 ILE 77 HD13 ILE 77 -11.261 6.508 14.386 497 H GLU 78 H GLU 78 -8.299 4.696 9.185 498 HA GLU 78 HA GLU 78 -7.129 2.386 10.443 499 HB3 GLU 78 HB3 GLU 78 -7.489 1.248 8.401 500 HG3 GLU 78 HG3 GLU 78 -9.788 3.190 8.349 501 H ALA 79 H ALA 79 -6.045 4.904 8.371 502 HA ALA 79 HA ALA 79 -3.329 3.969 7.915 503 HB1 ALA 79 HB1 ALA 79 -4.498 5.605 6.370 504 HB2 ALA 79 HB2 ALA 79 -4.500 6.781 7.695 505 HB3 ALA 79 HB3 ALA 79 -2.960 6.217 7.008 506 H ALA 80 H ALA 80 -5.006 4.994 10.672 507 HA ALA 80 HA ALA 80 -2.537 5.869 11.955 508 HB1 ALA 80 HB1 ALA 80 -5.303 7.036 12.468 509 HB2 ALA 80 HB2 ALA 80 -3.790 7.530 13.264 510 HB3 ALA 80 HB3 ALA 80 -4.032 7.840 11.524 511 H GLN 81 H GLN 81 -3.918 3.205 11.813 512 HA GLN 81 HA GLN 81 -3.668 2.720 14.660 513 HB3 GLN 81 HB3 GLN 81 -6.093 2.986 14.227 514 HG3 GLN 81 HG3 GLN 81 -5.831 1.510 11.880 515 HE21 GLN 81 HE22 GLN 81 -8.623 0.013 12.506 516 HE22 GLN 81 HE21 GLN 81 -7.989 -1.545 12.985 517 H LEU 82 H LEU 82 -3.871 1.491 11.316 518 HA LEU 82 HA LEU 82 -3.084 -1.148 11.824 519 HB3 LEU 82 HB3 LEU 82 -1.904 -0.748 9.405 520 HG LEU 82 HG LEU 82 -3.977 -1.145 8.236 521 HD11 LEU 82 HD11 LEU 82 -2.801 -3.048 9.338 522 HD12 LEU 82 HD12 LEU 82 -4.553 -3.303 9.213 523 HD13 LEU 82 HD13 LEU 82 -3.853 -2.846 10.757 524 HD21 LEU 82 HD21 LEU 82 -5.567 0.213 9.515 525 HD22 LEU 82 HD22 LEU 82 -5.424 -0.916 10.884 526 HD23 LEU 82 HD23 LEU 82 -6.123 -1.448 9.351 527 H LEU 83 H LEU 83 -1.047 1.752 11.646 528 HA LEU 83 HA LEU 83 1.508 0.664 11.516 529 HB3 LEU 83 HB3 LEU 83 0.495 2.863 13.341 530 HG LEU 83 HG LEU 83 2.966 2.285 13.619 531 HD11 LEU 83 HD11 LEU 83 3.409 1.743 11.209 532 HD12 LEU 83 HD12 LEU 83 4.503 2.944 11.895 533 HD13 LEU 83 HD13 LEU 83 3.169 3.451 10.828 534 HD21 LEU 83 HD21 LEU 83 3.641 4.614 13.592 535 HD22 LEU 83 HD22 LEU 83 2.011 4.451 14.220 536 HD23 LEU 83 HD23 LEU 83 2.274 5.038 12.543 537 H GLN 84 H GLN 84 -0.768 0.347 14.170 538 HA GLN 84 HA GLN 84 1.285 -0.410 16.150 539 HB3 GLN 84 HB3 GLN 84 -1.589 -0.962 16.747 540 HG3 GLN 84 HG3 GLN 84 0.728 0.530 18.024 541 HE21 GLN 84 HE22 GLN 84 0.190 2.626 18.663 542 HE22 GLN 84 HE21 GLN 84 -1.352 3.040 19.414 543 H ILE 85 H ILE 85 -1.222 -1.965 14.184 544 HA ILE 85 HA ILE 85 -0.826 -4.658 15.085 545 HB ILE 85 HB ILE 85 -2.087 -3.330 12.659 546 HG13 ILE 85 HG13 ILE 85 -3.107 -3.104 14.981 547 HG21 ILE 85 HG21 ILE 85 -3.106 -5.459 12.017 548 HG22 ILE 85 HG22 ILE 85 -1.358 -5.545 11.871 549 HG23 ILE 85 HG23 ILE 85 -2.167 -6.302 13.257 550 HD11 ILE 85 HD11 ILE 85 -4.906 -4.669 13.106 551 HD12 ILE 85 HD12 ILE 85 -5.368 -3.532 14.384 552 HD13 ILE 85 HD13 ILE 85 -4.527 -2.933 12.949 553 H LEU 86 H LEU 86 0.543 -2.715 12.477 554 HA LEU 86 HA LEU 86 2.055 -4.743 11.154 555 HB3 LEU 86 HB3 LEU 86 3.316 -2.596 10.358 556 HG LEU 86 HG LEU 86 2.007 -3.295 8.686 557 HD11 LEU 86 HD11 LEU 86 -0.491 -3.304 8.630 558 HD12 LEU 86 HD12 LEU 86 -0.517 -3.031 10.363 559 HD13 LEU 86 HD13 LEU 86 0.211 -4.504 9.729 560 HD21 LEU 86 HD21 LEU 86 0.593 -0.748 9.565 561 HD22 LEU 86 HD22 LEU 86 0.715 -1.363 7.909 562 HD23 LEU 86 HD23 LEU 86 2.169 -0.811 8.771 563 H GLN 87 H GLN 87 2.628 -3.681 14.292 564 HA GLN 87 HA GLN 87 5.556 -3.798 14.102 565 HB3 GLN 87 HB3 GLN 87 5.373 -3.397 16.599 566 HG3 GLN 87 HG3 GLN 87 4.344 -1.082 16.367 567 HE21 GLN 87 HE22 GLN 87 5.597 0.754 14.732 568 HE22 GLN 87 HE21 GLN 87 7.263 0.385 14.555 569 H ALA 88 H ALA 88 3.096 -6.138 14.397 570 HA ALA 88 HA ALA 88 4.832 -7.942 16.047 571 HB1 ALA 88 HB1 ALA 88 1.808 -7.842 15.829 572 HB2 ALA 88 HB2 ALA 88 2.757 -8.903 16.892 573 HB3 ALA 88 HB3 ALA 88 2.773 -7.153 17.147 574 H LEU 89 H LEU 89 4.347 -7.766 12.839 575 HA LEU 89 HA LEU 89 3.559 -10.621 12.485 576 HB3 LEU 89 HB3 LEU 89 1.826 -9.043 11.812 577 HG LEU 89 HG LEU 89 3.530 -7.227 10.928 578 HD11 LEU 89 HD11 LEU 89 3.705 -7.246 8.444 579 HD12 LEU 89 HD12 LEU 89 3.158 -8.933 8.448 580 HD13 LEU 89 HD13 LEU 89 4.694 -8.486 9.210 581 HD21 LEU 89 HD21 LEU 89 1.057 -7.011 10.918 582 HD22 LEU 89 HD22 LEU 89 0.987 -7.922 9.392 583 HD23 LEU 89 HD23 LEU 89 1.773 -6.331 9.444 584 H HIS 90 H HIS 90 4.419 -11.621 10.474 585 HA HIS 90 HA HIS 90 6.699 -10.496 9.171 586 HB3 HIS 90 HB3 HIS 90 7.959 -10.738 11.111 587 HD1 HIS 90 HD1 HIS 90 6.947 -14.475 10.986 588 HD2 HIS 90 HD2 HIS 90 7.562 -11.236 13.600 589 HE1 HIS 90 HE1 HIS 90 6.928 -15.443 13.357 590 HA PRO 91 HA PRO 91 4.762 -14.173 7.170 591 HB3 PRO 91 HB3 PRO 91 3.401 -12.694 5.947 592 HG3 PRO 91 HG3 PRO 91 4.297 -10.655 5.070 593 HD3 PRO 91 HD3 PRO 91 4.603 -10.511 7.421 594 HA PRO 92 HA PRO 92 8.432 -15.992 5.533 595 HB3 PRO 92 HB3 PRO 92 7.381 -17.995 5.512 596 HG3 PRO 92 HG3 PRO 92 5.083 -18.176 4.891 597 HD3 PRO 92 HD3 PRO 92 5.210 -16.474 6.537 598 H LEU 93 H LEU 93 7.161 -13.645 3.677 599 HA LEU 93 HA LEU 93 8.543 -14.341 1.185 600 HB3 LEU 93 HB3 LEU 93 7.431 -11.579 1.662 601 HG LEU 93 HG LEU 93 6.439 -11.885 -0.504 602 HD11 LEU 93 HD11 LEU 93 8.356 -12.063 -1.983 603 HD12 LEU 93 HD12 LEU 93 9.313 -12.867 -0.726 604 HD13 LEU 93 HD13 LEU 93 8.813 -11.170 -0.525 605 HD21 LEU 93 HD21 LEU 93 5.888 -14.303 -0.220 606 HD22 LEU 93 HD22 LEU 93 7.562 -14.710 -0.632 607 HD23 LEU 93 HD23 LEU 93 6.530 -13.881 -1.817 608 H THR 94 H THR 94 10.543 -14.614 2.830 609 HA THR 94 HA THR 94 11.856 -12.062 3.443 610 HB THR 94 HB THR 94 13.265 -14.647 3.724 611 HG1 THR 94 HG1 THR 94 11.492 -15.360 4.530 612 HG21 THR 94 HG21 THR 94 14.192 -13.641 5.672 613 HG22 THR 94 HG22 THR 94 13.016 -12.304 5.595 614 HG23 THR 94 HG23 THR 94 14.245 -12.492 4.315 615 H ILE 95 H ILE 95 12.077 -11.304 1.353 616 HA ILE 95 HA ILE 95 13.484 -12.869 -0.706 617 HB ILE 95 HB ILE 95 11.601 -11.074 -1.180 618 HG13 ILE 95 HG13 ILE 95 12.277 -10.633 -3.333 619 HG21 ILE 95 HG21 ILE 95 12.322 -9.243 0.040 620 HG22 ILE 95 HG22 ILE 95 13.906 -9.209 -0.752 621 HG23 ILE 95 HG23 ILE 95 12.459 -8.830 -1.677 622 HD11 ILE 95 HD11 ILE 95 14.572 -9.707 -3.003 623 HD12 ILE 95 HD12 ILE 95 15.166 -11.365 -2.772 624 HD13 ILE 95 HD13 ILE 95 14.429 -10.881 -4.301 625 H ASP 96 H ASP 96 15.701 -12.713 -1.094 626 HA ASP 96 HA ASP 96 17.870 -12.418 -0.824 627 HB3 ASP 96 HB3 ASP 96 18.623 -10.107 0.235 628 H GLY 97 H GLY 97 15.887 -12.157 1.937 629 HA2 GLY 97 HA2 GLY 97 16.370 -12.957 4.171 630 HA3 GLY 97 HA3 GLY 97 18.092 -12.829 3.825 631 H LYS 98 H LYS 98 15.351 -10.497 3.203 632 HA LYS 98 HA LYS 98 16.305 -8.889 5.457 633 HB3 LYS 98 HB3 LYS 98 17.072 -7.482 3.742 634 HG3 LYS 98 HG3 LYS 98 16.025 -8.302 1.771 635 HD3 LYS 98 HD3 LYS 98 13.615 -8.015 3.082 636 HE3 LYS 98 HE3 LYS 98 14.018 -5.667 1.286 637 HZ1 LYS 98 HZ1 LYS 98 11.616 -7.362 1.605 638 HZ2 LYS 98 HZ2 LYS 98 12.326 -6.792 0.239 639 HZ3 LYS 98 HZ3 LYS 98 11.485 -5.760 1.245 640 H THR 99 H THR 99 14.464 -7.430 6.201 641 HA THR 99 HA THR 99 11.829 -8.664 5.729 642 HB THR 99 HB THR 99 11.478 -8.431 8.266 643 HG1 THR 99 HG1 THR 99 13.243 -7.348 8.941 644 HG21 THR 99 HG21 THR 99 11.791 -10.627 7.064 645 HG22 THR 99 HG22 THR 99 12.433 -10.642 8.723 646 HG23 THR 99 HG23 THR 99 13.528 -10.515 7.340 647 H ILE 100 H ILE 100 10.038 -7.184 6.515 648 HA ILE 100 HA ILE 100 10.712 -4.516 5.422 649 HB ILE 100 HB ILE 100 7.946 -5.536 6.113 650 HG13 ILE 100 HG13 ILE 100 7.859 -6.183 3.596 651 HG21 ILE 100 HG21 ILE 100 8.046 -3.215 5.523 652 HG22 ILE 100 HG22 ILE 100 9.080 -3.525 4.125 653 HG23 ILE 100 HG23 ILE 100 7.383 -4.076 4.136 654 HD11 ILE 100 HD11 ILE 100 10.634 -5.688 3.579 655 HD12 ILE 100 HD12 ILE 100 10.514 -7.413 3.809 656 HD13 ILE 100 HD13 ILE 100 9.693 -6.647 2.417 657 H ASN 101 H ASN 101 10.379 -2.570 6.464 658 HA ASN 101 HA ASN 101 10.267 -2.669 9.417 659 HB3 ASN 101 HB3 ASN 101 10.388 -0.004 8.688 660 HD21 ASN 101 HD22 ASN 101 11.781 0.646 10.241 661 HD22 ASN 101 HD21 ASN 101 13.197 -0.259 10.758 662 H VAL 102 H VAL 102 8.840 -0.792 10.372 663 HA VAL 102 HA VAL 102 6.266 -0.547 8.969 664 HB VAL 102 HB VAL 102 5.749 -2.254 10.377 665 HG11 VAL 102 HG11 VAL 102 6.331 -2.399 12.745 666 HG12 VAL 102 HG12 VAL 102 7.763 -2.420 11.738 667 HG13 VAL 102 HG13 VAL 102 7.348 -0.929 12.604 668 HG21 VAL 102 HG21 VAL 102 5.135 0.238 12.034 669 HG22 VAL 102 HG22 VAL 102 4.187 -0.351 10.645 670 HG23 VAL 102 HG23 VAL 102 4.304 -1.307 12.137 671 H GLU 103 H GLU 103 5.573 1.491 8.780 672 HA GLU 103 HA GLU 103 6.167 3.578 10.641 673 HB3 GLU 103 HB3 GLU 103 7.550 3.537 7.902 674 HG3 GLU 103 HG3 GLU 103 7.012 5.832 8.481 675 H PHE 104 H PHE 104 5.125 5.723 9.557 676 HA PHE 104 HA PHE 104 3.297 5.048 7.340 677 HB3 PHE 104 HB3 PHE 104 2.016 4.809 9.396 678 HD1 PHE 104 HD1 PHE 104 4.228 7.383 10.274 679 HD2 PHE 104 HD2 PHE 104 0.026 6.441 10.296 680 HE1 PHE 104 HE1 PHE 104 3.865 9.020 12.075 681 HE2 PHE 104 HE2 PHE 104 -0.338 8.079 12.128 682 HZ PHE 104 HZ PHE 104 1.586 9.408 12.982 683 H ALA 105 H ALA 105 2.195 7.222 6.569 684 HA ALA 105 HA ALA 105 4.059 9.498 6.661 685 HB1 ALA 105 HB1 ALA 105 4.869 8.198 4.770 686 HB2 ALA 105 HB2 ALA 105 3.229 8.155 4.060 687 HB3 ALA 105 HB3 ALA 105 4.118 9.691 4.224 688 H LYS 106 H LYS 106 1.594 9.112 7.908 689 HA LYS 106 HA LYS 106 -0.535 10.621 6.486 690 HB3 LYS 106 HB3 LYS 106 -0.211 9.252 9.165 691 HG3 LYS 106 HG3 LYS 106 -2.200 11.480 8.577 692 HD3 LYS 106 HD3 LYS 106 -2.366 9.080 10.383 693 HE3 LYS 106 HE3 LYS 106 -4.514 10.089 11.244 694 HZ1 LYS 106 HZ1 LYS 106 -2.310 10.211 12.504 695 HZ2 LYS 106 HZ2 LYS 106 -3.528 11.167 12.995 696 HZ3 LYS 106 HZ3 LYS 106 -2.308 11.819 12.132 697 H GLY 107 H GLY 107 -0.273 12.814 6.367 698 HA2 GLY 107 HA2 GLY 107 1.067 14.139 8.683 699 HA3 GLY 107 HA3 GLY 107 0.878 14.858 7.059 700 H SER 108 H SER 108 -0.740 13.894 10.054 701 HA SER 108 HA SER 108 -2.555 16.060 9.963 702 HB3 SER 108 HB3 SER 108 -4.657 14.582 10.145 703 HG SER 108 HG SER 108 -3.175 15.028 7.800 704 H LYS 109 H LYS 109 -3.380 16.380 12.109 705 HA LYS 109 HA LYS 109 -2.648 14.311 14.132 706 HB3 LYS 109 HB3 LYS 109 -2.803 17.337 14.489 707 HG3 LYS 109 HG3 LYS 109 -1.839 15.057 16.245 708 HD3 LYS 109 HD3 LYS 109 -0.176 17.007 16.143 709 HE3 LYS 109 HE3 LYS 109 -2.322 18.383 17.805 710 HZ1 LYS 109 HZ1 LYS 109 -0.892 20.224 17.713 711 HZ2 LYS 109 HZ2 LYS 109 0.101 19.554 16.586 712 HZ3 LYS 109 HZ3 LYS 109 0.086 18.974 18.121 713 H ARG 110 H ARG 110 -4.241 13.952 15.806 714 HA ARG 110 HA ARG 110 -6.912 15.208 15.333 715 HB3 ARG 110 HB3 ARG 110 -7.800 13.392 16.828 716 HG3 ARG 110 HG3 ARG 110 -6.522 12.232 14.326 717 HD3 ARG 110 HD3 ARG 110 -7.927 10.725 15.908 718 HE ARG 110 HE ARG 110 -9.792 12.760 15.717 719 HH11 ARG 110 HH11 ARG 110 -9.896 9.201 15.316 720 HH12 ARG 110 HH12 ARG 110 -11.642 9.183 15.302 721 HH21 ARG 110 HH22 ARG 110 -12.089 12.645 15.623 722 HH22 ARG 110 HH21 ARG 110 -12.841 11.105 15.796 723 H ASP 111 H ASP 111 -7.685 16.491 16.956 724 HA ASP 111 HA ASP 111 -6.788 16.184 19.721 725 HB3 ASP 111 HB3 ASP 111 -6.382 18.738 18.131 726 H MET 112 H MET 112 -8.722 16.194 20.787 727 HA MET 112 HA MET 112 -10.419 18.416 20.601 728 HB3 MET 112 HB3 MET 112 -12.473 16.548 20.478 729 HG3 MET 112 HG3 MET 112 -11.505 18.174 18.117 730 HE1 MET 112 HE1 MET 112 -15.942 17.492 19.158 731 HE2 MET 112 HE2 MET 112 -14.699 16.782 20.205 732 HE3 MET 112 HE3 MET 112 -14.799 18.545 20.010 733 H ALA 113 H ALA 113 -11.655 18.560 22.483 734 HA ALA 113 HA ALA 113 -11.032 16.803 24.723 735 HB1 ALA 113 HB1 ALA 113 -12.557 18.283 25.941 736 HB2 ALA 113 HB2 ALA 113 -11.407 19.252 25.013 737 HB3 ALA 113 HB3 ALA 113 -13.080 19.050 24.434 738 H SER 114 H SER 114 -13.209 16.140 25.987 739 HA SER 114 HA SER 114 -15.480 15.415 24.436 740 HB3 SER 114 HB3 SER 114 -13.842 13.095 25.540 741 HG SER 114 HG SER 114 -15.189 11.954 24.122 742 H ASN 115 H ASN 115 -16.496 13.531 26.012 743 HA ASN 115 HA ASN 115 -17.239 12.672 27.931 744 HB3 ASN 115 HB3 ASN 115 -15.079 14.157 29.412 745 HD21 ASN 115 HD22 ASN 115 -16.117 10.803 28.660 746 HD22 ASN 115 HD21 ASN 115 -16.075 10.296 30.357 747 H GLU 116 H GLU 116 -17.203 16.076 27.733 748 HA GLU 116 HA GLU 116 -18.471 16.684 30.243 749 HB3 GLU 116 HB3 GLU 116 -19.006 18.829 29.119 750 HG3 GLU 116 HG3 GLU 116 -16.188 17.875 28.447 751 H GLY 117 H GLY 117 -20.708 17.767 30.200 752 HA2 GLY 117 HA2 GLY 117 -22.808 17.930 28.886 753 HA3 GLY 117 HA3 GLY 117 -22.735 16.165 28.703 754 H SER 118 H SER 118 -22.171 15.071 30.960 755 HA SER 118 HA SER 118 -23.226 14.301 32.818 756 HB3 SER 118 HB3 SER 118 -23.075 15.789 34.706 757 HG SER 118 HG SER 118 -21.076 16.866 33.026 758 H ARG 119 H ARG 119 -25.108 14.340 30.877 759 HA ARG 119 HA ARG 119 -27.481 15.612 32.022 760 HB3 ARG 119 HB3 ARG 119 -26.510 16.282 29.203 761 HG3 ARG 119 HG3 ARG 119 -28.923 16.523 29.277 762 HD3 ARG 119 HD3 ARG 119 -29.531 16.452 31.552 763 HE ARG 119 HE ARG 119 -27.393 18.320 31.987 764 HH11 ARG 119 HH11 ARG 119 -30.442 17.233 33.392 765 HH12 ARG 119 HH12 ARG 119 -29.926 17.369 35.035 766 HH21 ARG 119 HH22 ARG 119 -26.579 18.115 34.101 767 HH22 ARG 119 HH21 ARG 119 -27.632 18.054 35.459 768 H ILE 120 H ILE 120 -28.256 13.691 32.359 769 HA ILE 120 HA ILE 120 -29.662 12.515 30.017 770 HB ILE 120 HB ILE 120 -30.217 10.574 31.517 771 HG13 ILE 120 HG13 ILE 120 -28.151 11.851 33.373 772 HG21 ILE 120 HG21 ILE 120 -28.528 10.543 29.753 773 HG22 ILE 120 HG22 ILE 120 -27.275 11.025 30.922 774 HG23 ILE 120 HG23 ILE 120 -28.111 9.467 31.093 775 HD11 ILE 120 HD11 ILE 120 -30.938 10.700 33.864 776 HD12 ILE 120 HD12 ILE 120 -29.784 11.136 35.137 777 HD13 ILE 120 HD13 ILE 120 -30.429 12.395 34.081 778 H SER 121 H SER 121 -31.937 11.573 31.209 779 HA SER 121 HA SER 121 -33.191 13.558 32.847 780 HB3 SER 121 HB3 SER 121 -34.187 13.096 30.000 781 HG SER 121 HG SER 121 -35.438 14.964 30.545 782 H ALA 122 H ALA 122 -35.635 12.785 32.853 783 HA ALA 122 HA ALA 122 -37.016 11.272 33.778 784 HB1 ALA 122 HB1 ALA 122 -37.182 10.526 31.405 785 HB2 ALA 122 HB2 ALA 122 -35.939 9.297 31.733 786 HB3 ALA 122 HB3 ALA 122 -37.508 9.233 32.567 787 H ALA 123 H ALA 123 -36.645 8.400 34.162 788 HA ALA 123 HA ALA 123 -34.199 8.110 35.709 789 HB1 ALA 123 HB1 ALA 123 -36.924 7.939 37.093 790 HB2 ALA 123 HB2 ALA 123 -35.383 7.360 37.772 791 HB3 ALA 123 HB3 ALA 123 -35.613 9.085 37.439 792 H SER 124 H SER 124 -37.233 6.183 36.062 793 HA SER 124 HA SER 124 -36.772 4.428 33.861 794 HB3 SER 124 HB3 SER 124 -36.471 2.385 35.389 795 HG SER 124 HG SER 124 -34.503 4.306 34.858 796 H VAL 125 H VAL 125 -38.515 2.686 33.903 797 HA VAL 125 HA VAL 125 -40.427 2.633 35.978 798 HB VAL 125 HB VAL 125 -41.186 4.668 34.754 799 HG11 VAL 125 HG11 VAL 125 -41.631 2.865 32.345 800 HG12 VAL 125 HG12 VAL 125 -42.125 4.562 32.509 801 HG13 VAL 125 HG13 VAL 125 -40.407 4.145 32.475 802 HG21 VAL 125 HG21 VAL 125 -43.151 2.383 34.360 803 HG22 VAL 125 HG22 VAL 125 -42.826 3.203 35.908 804 HG23 VAL 125 HG23 VAL 125 -43.509 4.106 34.549 805 H ALA 126 H ALA 126 -41.932 0.734 35.451 806 HA ALA 126 HA ALA 126 -41.571 -0.654 32.976 807 HB1 ALA 126 HB1 ALA 126 -40.882 -2.086 35.595 808 HB2 ALA 126 HB2 ALA 126 -41.076 -2.860 34.006 809 HB3 ALA 126 HB3 ALA 126 -39.740 -1.728 34.278 810 H SER 127 H SER 127 -43.399 -2.152 32.719 811 HA SER 127 HA SER 127 -45.452 -2.242 34.838 812 HB3 SER 127 HB3 SER 127 -45.891 -0.123 33.793 813 HG SER 127 HG SER 127 -46.213 -1.328 31.282 814 H THR 128 H THR 128 -43.660 -4.157 33.201 815 HA THR 128 HA THR 128 -45.716 -5.699 31.709 816 HB THR 128 HB THR 128 -43.754 -6.047 30.103 817 HG1 THR 128 HG1 THR 128 -42.145 -5.300 31.489 818 HG21 THR 128 HG21 THR 128 -45.633 -4.484 29.593 819 HG22 THR 128 HG22 THR 128 -44.085 -3.932 28.925 820 HG23 THR 128 HG23 THR 128 -44.738 -3.166 30.384 821 H ALA 129 H ALA 129 -45.999 -7.481 33.000 822 HA ALA 129 HA ALA 129 -43.773 -9.260 33.431 823 HB1 ALA 129 HB1 ALA 129 -43.744 -7.901 35.531 824 HB2 ALA 129 HB2 ALA 129 -45.468 -8.278 35.785 825 HB3 ALA 129 HB3 ALA 129 -44.248 -9.570 35.841 826 H ILE 130 H ILE 130 -45.082 -11.232 34.810 827 HA ILE 130 HA ILE 130 -47.808 -11.496 33.962 828 HB ILE 130 HB ILE 130 -46.555 -12.482 32.067 829 HG13 ILE 130 HG13 ILE 130 -47.873 -14.713 33.660 830 HG21 ILE 130 HG21 ILE 130 -45.175 -14.499 32.318 831 HG22 ILE 130 HG22 ILE 130 -44.471 -13.147 33.213 832 HG23 ILE 130 HG23 ILE 130 -45.352 -14.424 34.081 833 HD11 ILE 130 HD11 ILE 130 -49.874 -14.181 32.278 834 HD12 ILE 130 HD12 ILE 130 -49.497 -12.866 33.398 835 HD13 ILE 130 HD13 ILE 130 -49.066 -12.717 31.675 836 H ALA 131 H ALA 131 -48.704 -13.537 35.245 837 HA ALA 131 HA ALA 131 -47.197 -14.468 37.455 838 HB1 ALA 131 HB1 ALA 131 -49.813 -12.928 37.849 839 HB2 ALA 131 HB2 ALA 131 -48.995 -13.919 39.071 840 HB3 ALA 131 HB3 ALA 131 -48.217 -12.429 38.482 Start of MODEL 19 1 H1 GLN 1 H1 GLN 1 57.045 -7.120 -7.970 2 HA GLN 1 HA GLN 1 55.058 -7.226 -6.560 3 HB3 GLN 1 HB3 GLN 1 54.786 -5.107 -5.043 4 HG3 GLN 1 HG3 GLN 1 54.948 -7.470 -4.164 5 HE21 GLN 1 HE22 GLN 1 57.042 -7.109 -1.742 6 HE22 GLN 1 HE21 GLN 1 58.429 -7.928 -2.418 7 H ALA 2 H ALA 2 53.193 -5.522 -6.769 8 HA ALA 2 HA ALA 2 53.760 -3.296 -8.528 9 HB1 ALA 2 HB1 ALA 2 51.729 -3.741 -9.871 10 HB2 ALA 2 HB2 ALA 2 52.917 -5.035 -10.097 11 HB3 ALA 2 HB3 ALA 2 51.502 -5.295 -9.046 12 H GLN 3 H GLN 3 51.480 -1.977 -8.404 13 HA GLN 3 HA GLN 3 50.103 -2.314 -5.878 14 HB3 GLN 3 HB3 GLN 3 50.421 0.035 -5.201 15 HG3 GLN 3 HG3 GLN 3 53.182 -1.205 -5.538 16 HE21 GLN 3 HE22 GLN 3 52.571 1.743 -5.241 17 HE22 GLN 3 HE21 GLN 3 53.200 2.099 -3.638 18 H GLY 4 H GLY 4 48.412 -0.203 -5.957 19 HA2 GLY 4 HA2 GLY 4 47.525 0.344 -8.673 20 HA3 GLY 4 HA3 GLY 4 46.411 -0.600 -7.650 21 H VAL 5 H VAL 5 45.031 1.424 -7.870 22 HA VAL 5 HA VAL 5 45.768 3.626 -6.084 23 HB VAL 5 HB VAL 5 43.445 4.416 -6.683 24 HG11 VAL 5 HG11 VAL 5 45.478 5.344 -7.725 25 HG12 VAL 5 HG12 VAL 5 45.402 4.115 -9.004 26 HG13 VAL 5 HG13 VAL 5 44.120 5.336 -8.856 27 HG21 VAL 5 HG21 VAL 5 42.469 2.281 -7.548 28 HG22 VAL 5 HG22 VAL 5 42.346 3.608 -8.703 29 HG23 VAL 5 HG23 VAL 5 43.572 2.353 -8.941 30 H LEU 6 H LEU 6 45.141 3.586 -4.061 31 HA LEU 6 HA LEU 6 42.908 1.972 -3.156 32 HB3 LEU 6 HB3 LEU 6 44.617 0.503 -2.611 33 HG LEU 6 HG LEU 6 46.256 2.887 -1.866 34 HD11 LEU 6 HD11 LEU 6 46.406 0.320 -0.222 35 HD12 LEU 6 HD12 LEU 6 45.935 1.924 0.380 36 HD13 LEU 6 HD13 LEU 6 47.585 1.651 -0.196 37 HD21 LEU 6 HD21 LEU 6 48.029 1.492 -2.718 38 HD22 LEU 6 HD22 LEU 6 46.621 1.312 -3.786 39 HD23 LEU 6 HD23 LEU 6 46.998 0.035 -2.628 40 H ALA 7 H ALA 7 41.926 2.963 -1.197 41 HA ALA 7 HA ALA 7 43.026 5.371 -0.044 42 HB1 ALA 7 HB1 ALA 7 41.058 6.768 -0.631 43 HB2 ALA 7 HB2 ALA 7 41.954 6.315 -2.092 44 HB3 ALA 7 HB3 ALA 7 40.439 5.476 -1.679 45 H SER 8 H SER 8 41.655 6.053 1.731 46 HA SER 8 HA SER 8 40.393 3.838 3.162 47 HB3 SER 8 HB3 SER 8 40.108 5.871 4.806 48 HG SER 8 HG SER 8 41.684 4.511 5.264 49 H GLN 9 H GLN 9 38.240 3.604 3.509 50 HA GLN 9 HA GLN 9 36.250 5.019 1.954 51 HB3 GLN 9 HB3 GLN 9 34.706 3.629 3.177 52 HG3 GLN 9 HG3 GLN 9 36.256 2.500 1.414 53 HE21 GLN 9 HE22 GLN 9 36.699 -0.293 1.828 54 HE22 GLN 9 HE21 GLN 9 38.227 -0.426 2.680 55 H ALA 10 H ALA 10 34.442 6.274 2.947 56 HA ALA 10 HA ALA 10 34.528 6.866 5.759 57 HB1 ALA 10 HB1 ALA 10 34.453 9.316 5.537 58 HB2 ALA 10 HB2 ALA 10 35.999 8.695 4.932 59 HB3 ALA 10 HB3 ALA 10 34.732 9.192 3.787 60 H LEU 11 H LEU 11 32.437 7.525 6.463 61 HA LEU 11 HA LEU 11 30.197 7.115 4.549 62 HB3 LEU 11 HB3 LEU 11 29.037 7.792 6.957 63 HG LEU 11 HG LEU 11 28.463 5.771 5.733 64 HD11 LEU 11 HD11 LEU 11 30.679 4.923 5.098 65 HD12 LEU 11 HD12 LEU 11 29.802 3.697 5.999 66 HD13 LEU 11 HD13 LEU 11 31.064 4.636 6.820 67 HD21 LEU 11 HD21 LEU 11 27.776 5.940 8.086 68 HD22 LEU 11 HD22 LEU 11 29.308 5.234 8.612 69 HD23 LEU 11 HD23 LEU 11 28.157 4.253 7.698 70 H SER 12 H SER 12 28.327 8.794 4.981 71 HA SER 12 HA SER 12 29.133 11.454 5.753 72 HB3 SER 12 HB3 SER 12 28.167 12.482 3.652 73 HG SER 12 HG SER 12 30.513 10.994 3.807 74 H GLN 13 H GLN 13 26.920 12.848 5.483 75 HA GLN 13 HA GLN 13 24.634 11.135 6.286 76 HB3 GLN 13 HB3 GLN 13 25.830 11.972 8.306 77 HG3 GLN 13 HG3 GLN 13 24.957 14.714 7.324 78 HE21 GLN 13 HE22 GLN 13 24.846 16.393 8.832 79 HE22 GLN 13 HE21 GLN 13 25.157 16.142 10.534 80 H GLY 14 H GLY 14 22.705 12.966 6.609 81 HA2 GLY 14 HA2 GLY 14 21.909 15.087 5.969 82 HA3 GLY 14 HA3 GLY 14 23.004 15.111 4.598 83 H SER 15 H SER 15 19.819 14.767 5.479 84 HA SER 15 HA SER 15 19.120 14.281 2.735 85 HB3 SER 15 HB3 SER 15 18.740 12.045 3.341 86 HG SER 15 HG SER 15 19.116 12.140 5.545 87 H GLU 16 H GLU 16 17.311 15.528 2.284 88 HA GLU 16 HA GLU 16 16.521 17.503 4.391 89 HB3 GLU 16 HB3 GLU 16 16.570 19.097 2.418 90 HG3 GLU 16 HG3 GLU 16 19.089 17.790 3.499 91 HA PRO 17 HA PRO 17 12.879 15.379 2.508 92 HB3 PRO 17 HB3 PRO 17 13.029 13.855 4.267 93 HG3 PRO 17 HG3 PRO 17 13.540 14.534 6.517 94 HD3 PRO 17 HD3 PRO 17 15.324 15.092 5.098 95 H SER 18 H SER 18 10.871 16.164 1.991 96 HA SER 18 HA SER 18 9.800 18.662 3.092 97 HB3 SER 18 HB3 SER 18 7.992 18.267 1.487 98 HG SER 18 HG SER 18 10.456 17.545 0.270 99 H SER 19 H SER 19 7.520 18.643 3.924 100 HA SER 19 HA SER 19 6.787 16.163 5.417 101 HB3 SER 19 HB3 SER 19 5.494 17.804 6.834 102 HG SER 19 HG SER 19 7.599 18.710 7.681 103 H GLU 20 H GLU 20 5.952 18.139 2.787 104 HA GLU 20 HA GLU 20 4.317 18.393 1.377 105 HB3 GLU 20 HB3 GLU 20 3.353 15.581 1.763 106 HG3 GLU 20 HG3 GLU 20 4.170 17.290 -0.646 107 H ASN 21 H ASN 21 1.776 17.894 0.954 108 HA ASN 21 HA ASN 21 0.325 18.992 3.274 109 HB3 ASN 21 HB3 ASN 21 -1.640 18.440 1.528 110 HD21 ASN 21 HD22 ASN 21 0.906 20.622 0.222 111 HD22 ASN 21 HD21 ASN 21 0.085 22.081 0.762 112 H ALA 22 H ALA 22 -1.471 17.780 4.233 113 HA ALA 22 HA ALA 22 -0.288 15.243 4.979 114 HB1 ALA 22 HB1 ALA 22 -1.118 16.895 6.678 115 HB2 ALA 22 HB2 ALA 22 -2.761 16.704 6.038 116 HB3 ALA 22 HB3 ALA 22 -1.953 15.335 6.812 117 H ASN 23 H ASN 23 -0.722 13.468 3.955 118 HA ASN 23 HA ASN 23 -3.565 12.810 3.445 119 HB3 ASN 23 HB3 ASN 23 -1.133 11.742 1.988 120 HD21 ASN 23 HD22 ASN 23 -4.708 11.527 2.547 121 HD22 ASN 23 HD21 ASN 23 -4.862 10.118 1.508 122 H ASP 24 H ASP 24 -3.367 10.033 3.458 123 HA ASP 24 HA ASP 24 -2.123 9.421 6.091 124 HB3 ASP 24 HB3 ASP 24 -3.994 8.151 6.788 125 H THR 25 H THR 25 -0.345 8.373 5.000 126 HA THR 25 HA THR 25 -1.102 5.878 3.584 127 HB THR 25 HB THR 25 0.756 8.059 2.587 128 HG1 THR 25 HG1 THR 25 -1.829 7.704 2.449 129 HG21 THR 25 HG21 THR 25 1.367 5.626 1.843 130 HG22 THR 25 HG22 THR 25 1.217 6.900 0.634 131 HG23 THR 25 HG23 THR 25 -0.098 5.737 0.851 132 H ILE 26 H ILE 26 -0.098 4.222 4.458 133 HA ILE 26 HA ILE 26 2.040 4.477 6.428 134 HB ILE 26 HB ILE 26 0.858 2.073 4.974 135 HG13 ILE 26 HG13 ILE 26 0.271 3.385 7.630 136 HG21 ILE 26 HG21 ILE 26 1.981 0.643 6.610 137 HG22 ILE 26 HG22 ILE 26 3.120 1.461 5.581 138 HG23 ILE 26 HG23 ILE 26 2.868 2.047 7.247 139 HD11 ILE 26 HD11 ILE 26 -1.376 1.838 5.577 140 HD12 ILE 26 HD12 ILE 26 -1.999 2.413 7.128 141 HD13 ILE 26 HD13 ILE 26 -1.465 3.584 5.907 142 H ILE 27 H ILE 27 4.228 3.647 6.018 143 HA ILE 27 HA ILE 27 4.966 3.306 3.213 144 HB ILE 27 HB ILE 27 5.433 5.665 3.886 145 HG13 ILE 27 HG13 ILE 27 7.017 3.854 2.355 146 HG21 ILE 27 HG21 ILE 27 6.194 5.267 6.183 147 HG22 ILE 27 HG22 ILE 27 7.664 4.506 5.522 148 HG23 ILE 27 HG23 ILE 27 7.333 6.232 5.230 149 HD11 ILE 27 HD11 ILE 27 6.839 6.892 2.487 150 HD12 ILE 27 HD12 ILE 27 7.675 6.011 1.202 151 HD13 ILE 27 HD13 ILE 27 5.930 5.773 1.437 152 H LEU 28 H LEU 28 5.958 1.420 3.134 153 HA LEU 28 HA LEU 28 6.986 0.063 5.591 154 HB3 LEU 28 HB3 LEU 28 7.726 -1.686 3.956 155 HG LEU 28 HG LEU 28 5.860 -2.953 3.768 156 HD11 LEU 28 HD11 LEU 28 4.964 -1.000 5.932 157 HD12 LEU 28 HD12 LEU 28 6.073 -2.376 6.151 158 HD13 LEU 28 HD13 LEU 28 4.399 -2.668 5.704 159 HD21 LEU 28 HD21 LEU 28 4.032 -0.558 3.645 160 HD22 LEU 28 HD22 LEU 28 3.627 -2.272 3.434 161 HD23 LEU 28 HD23 LEU 28 4.631 -1.456 2.226 162 H ARG 29 H ARG 29 9.289 -0.222 5.784 163 HA ARG 29 HA ARG 29 10.967 1.238 3.796 164 HB3 ARG 29 HB3 ARG 29 12.333 2.229 5.529 165 HG3 ARG 29 HG3 ARG 29 9.512 2.751 6.472 166 HD3 ARG 29 HD3 ARG 29 11.509 3.767 7.668 167 HE ARG 29 HE ARG 29 11.883 5.090 5.031 168 HH11 ARG 29 HH11 ARG 29 13.032 4.787 8.384 169 HH12 ARG 29 HH12 ARG 29 14.096 6.154 8.296 170 HH21 ARG 29 HH22 ARG 29 13.101 7.120 5.034 171 HH22 ARG 29 HH21 ARG 29 13.882 7.593 6.486 172 H ASN 30 H ASN 30 13.244 0.591 4.013 173 HA ASN 30 HA ASN 30 15.017 -0.770 4.359 174 HB3 ASN 30 HB3 ASN 30 13.335 -2.635 6.054 175 HD21 ASN 30 HD22 ASN 30 14.502 -4.465 6.438 176 HD22 ASN 30 HD21 ASN 30 16.247 -4.546 6.570 177 H LEU 31 H LEU 31 12.623 -1.135 2.383 178 HA LEU 31 HA LEU 31 12.625 -3.988 1.797 179 HB3 LEU 31 HB3 LEU 31 11.386 -3.346 -0.275 180 HG LEU 31 HG LEU 31 10.142 -3.534 1.904 181 HD11 LEU 31 HD11 LEU 31 10.372 -1.912 3.250 182 HD12 LEU 31 HD12 LEU 31 9.165 -1.012 2.322 183 HD13 LEU 31 HD13 LEU 31 10.881 -0.741 2.014 184 HD21 LEU 31 HD21 LEU 31 9.000 -3.258 -0.346 185 HD22 LEU 31 HD22 LEU 31 8.843 -1.531 0.013 186 HD23 LEU 31 HD23 LEU 31 8.051 -2.731 1.057 187 H ASN 32 H ASN 32 13.023 -4.501 -0.503 188 HA ASN 32 HA ASN 32 15.777 -3.529 -1.266 189 HB3 ASN 32 HB3 ASN 32 15.424 -6.141 -2.346 190 HD21 ASN 32 HD22 ASN 32 17.008 -7.734 -1.417 191 HD22 ASN 32 HD21 ASN 32 18.419 -7.139 -0.622 192 HA PRO 33 HA PRO 33 14.461 -2.563 -5.336 193 HB3 PRO 33 HB3 PRO 33 16.519 -2.242 -6.192 194 HG3 PRO 33 HG3 PRO 33 18.375 -3.324 -5.166 195 HD3 PRO 33 HD3 PRO 33 17.061 -2.579 -3.331 196 H HIS 34 H HIS 34 15.206 -5.983 -4.752 197 HA HIS 34 HA HIS 34 13.430 -6.961 -6.872 198 HB3 HIS 34 HB3 HIS 34 14.411 -9.173 -5.953 199 HD1 HIS 34 HD1 HIS 34 15.392 -9.919 -8.196 200 HD2 HIS 34 HD2 HIS 34 16.751 -6.134 -6.916 201 HE1 HIS 34 HE1 HIS 34 16.955 -9.010 -10.037 202 H SER 35 H SER 35 12.197 -5.608 -4.405 203 HA SER 35 HA SER 35 11.116 -7.872 -2.926 204 HB3 SER 35 HB3 SER 35 10.030 -6.427 -1.533 205 HG SER 35 HG SER 35 12.459 -5.168 -2.272 206 H THR 36 H THR 36 9.182 -8.812 -3.385 207 HA THR 36 HA THR 36 7.436 -8.006 -5.566 208 HB THR 36 HB THR 36 5.987 -9.854 -4.462 209 HG1 THR 36 HG1 THR 36 7.308 -11.216 -3.088 210 HG21 THR 36 HG21 THR 36 8.799 -10.494 -5.383 211 HG22 THR 36 HG22 THR 36 7.352 -10.352 -6.391 212 HG23 THR 36 HG23 THR 36 7.484 -11.688 -5.236 213 H MET 37 H MET 37 5.293 -7.209 -5.471 214 HA MET 37 HA MET 37 4.320 -5.610 -3.337 215 HB3 MET 37 HB3 MET 37 3.028 -7.231 -5.572 216 HG3 MET 37 HG3 MET 37 1.753 -5.375 -3.542 217 HE1 MET 37 HE1 MET 37 0.404 -3.314 -6.545 218 HE2 MET 37 HE2 MET 37 1.289 -3.303 -5.007 219 HE3 MET 37 HE3 MET 37 2.058 -3.967 -6.465 220 H ASP 38 H ASP 38 4.308 -9.105 -3.961 221 HA ASP 38 HA ASP 38 2.239 -9.861 -2.339 222 HB3 ASP 38 HB3 ASP 38 3.434 -12.101 -2.176 223 H SER 39 H SER 39 5.461 -8.846 -1.330 224 HA SER 39 HA SER 39 5.509 -10.150 1.204 225 HB3 SER 39 HB3 SER 39 7.530 -9.267 0.226 226 HG SER 39 HG SER 39 6.865 -7.466 -0.882 227 H ILE 40 H ILE 40 3.871 -7.280 0.136 228 HA ILE 40 HA ILE 40 3.125 -6.396 2.827 229 HB ILE 40 HB ILE 40 2.061 -5.602 0.063 230 HG13 ILE 40 HG13 ILE 40 4.370 -4.536 1.703 231 HG21 ILE 40 HG21 ILE 40 0.485 -5.164 1.937 232 HG22 ILE 40 HG22 ILE 40 1.746 -4.220 2.749 233 HG23 ILE 40 HG23 ILE 40 1.081 -3.694 1.184 234 HD11 ILE 40 HD11 ILE 40 5.300 -3.955 -0.527 235 HD12 ILE 40 HD12 ILE 40 4.932 -5.683 -0.475 236 HD13 ILE 40 HD13 ILE 40 3.848 -4.573 -1.320 237 H LEU 41 H LEU 41 1.388 -7.625 -0.046 238 HA LEU 41 HA LEU 41 -1.064 -7.981 1.264 239 HB3 LEU 41 HB3 LEU 41 -1.660 -9.414 -0.720 240 HG LEU 41 HG LEU 41 -0.146 -6.864 -1.443 241 HD11 LEU 41 HD11 LEU 41 -0.667 -8.337 -3.349 242 HD12 LEU 41 HD12 LEU 41 -1.594 -6.826 -3.413 243 HD13 LEU 41 HD13 LEU 41 -2.379 -8.334 -2.884 244 HD21 LEU 41 HD21 LEU 41 -3.073 -7.229 -0.658 245 HD22 LEU 41 HD22 LEU 41 -2.395 -5.759 -1.394 246 HD23 LEU 41 HD23 LEU 41 -1.851 -6.264 0.203 247 H GLY 42 H GLY 42 1.510 -10.415 0.770 248 HA2 GLY 42 HA2 GLY 42 0.007 -12.656 1.720 249 HA3 GLY 42 HA3 GLY 42 1.761 -12.539 1.527 250 H ALA 43 H ALA 43 1.496 -10.026 3.483 251 HA ALA 43 HA ALA 43 1.572 -11.646 5.976 252 HB1 ALA 43 HB1 ALA 43 3.519 -10.360 5.650 253 HB2 ALA 43 HB2 ALA 43 2.628 -8.884 5.340 254 HB3 ALA 43 HB3 ALA 43 2.597 -9.607 6.972 255 H LEU 44 H LEU 44 0.014 -8.749 4.501 256 HA LEU 44 HA LEU 44 -1.508 -8.426 7.019 257 HB3 LEU 44 HB3 LEU 44 -2.103 -6.220 6.048 258 HG LEU 44 HG LEU 44 -0.296 -5.107 6.673 259 HD11 LEU 44 HD11 LEU 44 -0.539 -6.800 8.443 260 HD12 LEU 44 HD12 LEU 44 1.155 -6.312 8.276 261 HD13 LEU 44 HD13 LEU 44 0.630 -7.851 7.618 262 HD21 LEU 44 HD21 LEU 44 2.030 -5.521 6.116 263 HD22 LEU 44 HD22 LEU 44 1.022 -5.533 4.662 264 HD23 LEU 44 HD23 LEU 44 1.589 -7.055 5.353 265 H ALA 45 H ALA 45 -2.202 -9.805 3.977 266 HA ALA 45 HA ALA 45 -4.620 -8.958 3.240 267 HB1 ALA 45 HB1 ALA 45 -3.445 -11.723 3.287 268 HB2 ALA 45 HB2 ALA 45 -5.069 -11.451 2.649 269 HB3 ALA 45 HB3 ALA 45 -3.688 -10.612 1.924 270 HA PRO 46 HA PRO 46 -7.397 -11.390 6.176 271 HB3 PRO 46 HB3 PRO 46 -6.433 -13.453 6.749 272 HG3 PRO 46 HG3 PRO 46 -4.114 -13.565 7.470 273 HD3 PRO 46 HD3 PRO 46 -4.209 -12.673 5.274 274 H TYR 47 H TYR 47 -5.012 -9.203 7.183 275 HA TYR 47 HA TYR 47 -6.528 -8.346 9.599 276 HB3 TYR 47 HB3 TYR 47 -4.433 -7.509 10.429 277 HD1 TYR 47 HD1 TYR 47 -5.862 -10.144 10.799 278 HD2 TYR 47 HD2 TYR 47 -1.879 -9.297 9.366 279 HE1 TYR 47 HE1 TYR 47 -5.155 -12.408 11.453 280 HE2 TYR 47 HE2 TYR 47 -1.157 -11.574 10.036 281 HH TYR 47 HH TYR 47 -3.483 -14.042 10.973 282 H ALA 48 H ALA 48 -6.496 -7.704 6.456 283 HA ALA 48 HA ALA 48 -7.036 -4.863 6.775 284 HB1 ALA 48 HB1 ALA 48 -4.499 -5.059 6.560 285 HB2 ALA 48 HB2 ALA 48 -4.741 -5.700 4.934 286 HB3 ALA 48 HB3 ALA 48 -5.287 -4.047 5.338 287 H VAL 49 H VAL 49 -8.933 -4.934 5.876 288 HA VAL 49 HA VAL 49 -9.655 -6.212 3.466 289 HB VAL 49 HB VAL 49 -11.176 -5.701 5.216 290 HG11 VAL 49 HG11 VAL 49 -11.183 -2.768 4.449 291 HG12 VAL 49 HG12 VAL 49 -11.993 -3.575 5.806 292 HG13 VAL 49 HG13 VAL 49 -10.236 -3.408 5.801 293 HG21 VAL 49 HG21 VAL 49 -11.863 -5.974 2.793 294 HG22 VAL 49 HG22 VAL 49 -13.044 -5.094 3.790 295 HG23 VAL 49 HG23 VAL 49 -11.985 -4.220 2.664 296 H LEU 50 H LEU 50 -7.769 -5.645 2.308 297 HA LEU 50 HA LEU 50 -8.183 -3.372 0.506 298 HB3 LEU 50 HB3 LEU 50 -6.784 -2.308 2.046 299 HG LEU 50 HG LEU 50 -5.686 -4.297 3.139 300 HD11 LEU 50 HD11 LEU 50 -3.918 -4.215 0.658 301 HD12 LEU 50 HD12 LEU 50 -4.828 -5.603 1.303 302 HD13 LEU 50 HD13 LEU 50 -3.459 -4.989 2.207 303 HD21 LEU 50 HD21 LEU 50 -5.055 -1.974 3.567 304 HD22 LEU 50 HD22 LEU 50 -3.947 -1.992 2.181 305 HD23 LEU 50 HD23 LEU 50 -3.625 -3.010 3.601 306 H SER 51 H SER 51 -6.271 -3.514 -1.205 307 HA SER 51 HA SER 51 -5.587 -6.218 -1.929 308 HB3 SER 51 HB3 SER 51 -7.422 -4.645 -3.794 309 HG SER 51 HG SER 51 -6.932 -7.426 -3.684 310 H SER 52 H SER 52 -4.870 -5.760 -4.490 311 HA SER 52 HA SER 52 -2.449 -4.285 -4.305 312 HB3 SER 52 HB3 SER 52 -2.707 -6.248 -5.702 313 HG SER 52 HG SER 52 -4.462 -6.499 -6.759 314 H SER 53 H SER 53 -5.579 -2.999 -4.756 315 HA SER 53 HA SER 53 -5.036 -0.691 -6.333 316 HB3 SER 53 HB3 SER 53 -6.975 0.236 -5.180 317 HG SER 53 HG SER 53 -8.185 -2.044 -5.141 318 H ASN 54 H ASN 54 -4.895 -1.315 -2.800 319 HA ASN 54 HA ASN 54 -4.330 1.375 -2.094 320 HB3 ASN 54 HB3 ASN 54 -3.750 0.324 0.152 321 HD21 ASN 54 HD22 ASN 54 -5.479 1.300 1.126 322 HD22 ASN 54 HD21 ASN 54 -7.145 0.776 0.904 323 H VAL 55 H VAL 55 -2.282 -1.492 -2.452 324 HA VAL 55 HA VAL 55 0.101 -0.182 -1.449 325 HB VAL 55 HB VAL 55 -0.328 -2.451 -0.835 326 HG11 VAL 55 HG11 VAL 55 -1.723 -3.351 -2.445 327 HG12 VAL 55 HG12 VAL 55 -0.511 -3.174 -3.731 328 HG13 VAL 55 HG13 VAL 55 -0.271 -4.352 -2.419 329 HG21 VAL 55 HG21 VAL 55 2.038 -1.806 -1.150 330 HG22 VAL 55 HG22 VAL 55 1.752 -3.536 -1.413 331 HG23 VAL 55 HG23 VAL 55 1.982 -2.461 -2.808 332 H ARG 56 H ARG 56 1.614 0.802 -2.639 333 HA ARG 56 HA ARG 56 1.562 0.476 -5.604 334 HB3 ARG 56 HB3 ARG 56 1.998 3.150 -4.259 335 HG3 ARG 56 HG3 ARG 56 2.541 2.691 -6.725 336 HD3 ARG 56 HD3 ARG 56 -0.080 1.642 -6.776 337 HE ARG 56 HE ARG 56 -0.666 4.196 -6.974 338 HH11 ARG 56 HH11 ARG 56 -0.660 1.616 -9.413 339 HH12 ARG 56 HH12 ARG 56 -1.811 2.396 -10.448 340 HH21 ARG 56 HH22 ARG 56 -1.925 5.402 -8.546 341 HH22 ARG 56 HH21 ARG 56 -2.441 4.607 -10.000 342 H VAL 57 H VAL 57 3.470 -0.361 -6.193 343 HA VAL 57 HA VAL 57 5.768 -0.068 -4.363 344 HB VAL 57 HB VAL 57 5.326 -1.924 -6.710 345 HG11 VAL 57 HG11 VAL 57 7.712 -1.550 -6.189 346 HG12 VAL 57 HG12 VAL 57 7.423 -1.949 -4.482 347 HG13 VAL 57 HG13 VAL 57 7.223 -3.189 -5.741 348 HG21 VAL 57 HG21 VAL 57 4.996 -2.378 -3.698 349 HG22 VAL 57 HG22 VAL 57 3.714 -2.455 -4.932 350 HG23 VAL 57 HG23 VAL 57 4.997 -3.663 -4.927 351 H ILE 58 H ILE 58 6.400 2.009 -4.773 352 HA ILE 58 HA ILE 58 6.902 3.047 -7.393 353 HB ILE 58 HB ILE 58 8.023 3.963 -4.714 354 HG13 ILE 58 HG13 ILE 58 6.122 5.601 -4.694 355 HG21 ILE 58 HG21 ILE 58 9.175 5.067 -6.564 356 HG22 ILE 58 HG22 ILE 58 7.631 5.514 -7.309 357 HG23 ILE 58 HG23 ILE 58 8.119 6.221 -5.759 358 HD11 ILE 58 HD11 ILE 58 5.320 5.340 -7.082 359 HD12 ILE 58 HD12 ILE 58 4.767 3.704 -6.663 360 HD13 ILE 58 HD13 ILE 58 4.051 5.108 -5.867 361 H LYS 59 H LYS 59 8.703 3.273 -8.571 362 HA LYS 59 HA LYS 59 11.056 1.610 -7.831 363 HB3 LYS 59 HB3 LYS 59 11.020 0.929 -10.304 364 HG3 LYS 59 HG3 LYS 59 8.645 0.029 -8.608 365 HD3 LYS 59 HD3 LYS 59 9.010 -2.145 -9.808 366 HE3 LYS 59 HE3 LYS 59 7.949 -1.606 -11.921 367 HZ1 LYS 59 HZ1 LYS 59 6.537 -1.321 -10.004 368 HZ2 LYS 59 HZ2 LYS 59 6.156 -0.195 -11.164 369 HZ3 LYS 59 HZ3 LYS 59 6.984 0.243 -9.815 370 H ASP 60 H ASP 60 12.943 2.050 -9.257 371 HA ASP 60 HA ASP 60 13.442 4.907 -9.411 372 HB3 ASP 60 HB3 ASP 60 15.059 2.452 -10.167 373 H LYS 61 H LYS 61 14.530 5.708 -11.511 374 HA LYS 61 HA LYS 61 12.763 5.131 -13.819 375 HB3 LYS 61 HB3 LYS 61 14.437 7.499 -12.963 376 HG3 LYS 61 HG3 LYS 61 14.573 7.441 -15.400 377 HD3 LYS 61 HD3 LYS 61 11.524 7.290 -15.279 378 HE3 LYS 61 HE3 LYS 61 13.435 7.871 -17.577 379 HZ1 LYS 61 HZ1 LYS 61 11.357 7.555 -18.933 380 HZ2 LYS 61 HZ2 LYS 61 10.685 6.807 -17.632 381 HZ3 LYS 61 HZ3 LYS 61 12.020 6.172 -18.345 382 H GLN 62 H GLN 62 16.220 5.426 -12.826 383 HA GLN 62 HA GLN 62 17.282 5.080 -15.494 384 HB3 GLN 62 HB3 GLN 62 19.393 4.979 -14.455 385 HG3 GLN 62 HG3 GLN 62 17.925 6.859 -12.580 386 HE21 GLN 62 HE22 GLN 62 20.191 6.722 -11.539 387 HE22 GLN 62 HE21 GLN 62 21.521 7.547 -12.355 388 H THR 63 H THR 63 16.569 3.067 -12.707 389 HA THR 63 HA THR 63 16.984 0.565 -14.264 390 HB THR 63 HB THR 63 17.567 -0.427 -12.095 391 HG1 THR 63 HG1 THR 63 17.176 2.214 -11.074 392 HG21 THR 63 HG21 THR 63 19.723 0.571 -11.868 393 HG22 THR 63 HG22 THR 63 19.122 2.183 -12.360 394 HG23 THR 63 HG23 THR 63 19.241 0.875 -13.547 395 H GLN 64 H GLN 64 15.363 -1.153 -13.605 396 HA GLN 64 HA GLN 64 12.772 0.195 -12.993 397 HB3 GLN 64 HB3 GLN 64 11.723 -1.546 -14.376 398 HG3 GLN 64 HG3 GLN 64 12.602 -0.923 -16.594 399 HE21 GLN 64 HE22 GLN 64 13.355 1.794 -14.153 400 HE22 GLN 64 HE21 GLN 64 12.087 2.789 -14.816 401 H LEU 65 H LEU 65 14.156 -0.175 -10.873 402 HA LEU 65 HA LEU 65 13.173 -2.685 -9.567 403 HB3 LEU 65 HB3 LEU 65 15.219 -2.514 -8.229 404 HG LEU 65 HG LEU 65 15.839 -2.498 -11.216 405 HD11 LEU 65 HD11 LEU 65 18.026 -3.382 -10.546 406 HD12 LEU 65 HD12 LEU 65 17.590 -3.173 -8.833 407 HD13 LEU 65 HD13 LEU 65 17.731 -1.755 -9.891 408 HD21 LEU 65 HD21 LEU 65 15.566 -4.780 -9.194 409 HD22 LEU 65 HD22 LEU 65 16.103 -4.956 -10.872 410 HD23 LEU 65 HD23 LEU 65 14.454 -4.421 -10.535 411 H ASN 66 H ASN 66 13.019 -2.377 -7.154 412 HA ASN 66 HA ASN 66 11.276 -0.137 -6.685 413 HB3 ASN 66 HB3 ASN 66 11.096 -0.843 -4.419 414 HD21 ASN 66 HD22 ASN 66 11.227 -3.680 -3.935 415 HD22 ASN 66 HD21 ASN 66 10.051 -4.448 -5.022 416 H ARG 67 H ARG 67 11.454 1.563 -5.088 417 HA ARG 67 HA ARG 67 14.218 2.586 -4.745 418 HB3 ARG 67 HB3 ARG 67 13.121 4.640 -4.025 419 HG3 ARG 67 HG3 ARG 67 11.525 3.938 -6.439 420 HD3 ARG 67 HD3 ARG 67 12.446 6.366 -5.355 421 HE ARG 67 HE ARG 67 13.739 6.560 -7.890 422 HH11 ARG 67 HH11 ARG 67 14.551 6.021 -4.472 423 HH12 ARG 67 HH12 ARG 67 16.179 5.494 -4.829 424 HH21 ARG 67 HH22 ARG 67 16.027 6.026 -8.299 425 HH22 ARG 67 HH21 ARG 67 17.031 5.672 -6.940 426 H GLY 68 H GLY 68 13.045 0.246 -2.993 427 HA2 GLY 68 HA2 GLY 68 13.665 -0.434 -0.927 428 HA3 GLY 68 HA3 GLY 68 14.392 1.143 -0.631 429 H PHE 69 H PHE 69 11.056 1.306 -1.540 430 HA PHE 69 HA PHE 69 9.971 1.003 1.137 431 HB3 PHE 69 HB3 PHE 69 10.776 3.413 0.919 432 HD1 PHE 69 HD1 PHE 69 11.387 4.257 -1.385 433 HD2 PHE 69 HD2 PHE 69 7.302 3.926 -0.060 434 HE1 PHE 69 HE1 PHE 69 10.658 5.835 -3.162 435 HE2 PHE 69 HE2 PHE 69 6.593 5.484 -1.811 436 HZ PHE 69 HZ PHE 69 8.271 6.477 -3.359 437 H ALA 70 H ALA 70 7.464 1.431 0.884 438 HA ALA 70 HA ALA 70 6.521 1.497 -1.865 439 HB1 ALA 70 HB1 ALA 70 6.395 -0.950 -1.493 440 HB2 ALA 70 HB2 ALA 70 5.494 -0.674 0.023 441 HB3 ALA 70 HB3 ALA 70 4.768 -0.220 -1.529 442 H PHE 71 H PHE 71 4.292 2.247 -1.896 443 HA PHE 71 HA PHE 71 3.531 3.865 0.501 444 HB3 PHE 71 HB3 PHE 71 1.847 4.740 -1.183 445 HD1 PHE 71 HD2 PHE 71 3.867 5.947 0.558 446 HD2 PHE 71 HD1 PHE 71 3.598 5.743 -3.723 447 HE1 PHE 71 HE2 PHE 71 5.250 7.920 0.415 448 HE2 PHE 71 HE1 PHE 71 4.990 7.807 -3.888 449 HZ PHE 71 HZ PHE 71 5.844 8.901 -1.832 450 H ILE 72 H ILE 72 1.336 3.596 1.295 451 HA ILE 72 HA ILE 72 -0.470 1.640 0.086 452 HB ILE 72 HB ILE 72 0.516 1.564 2.953 453 HG13 ILE 72 HG13 ILE 72 1.771 0.201 1.278 454 HG21 ILE 72 HG21 ILE 72 -2.032 1.452 2.904 455 HG22 ILE 72 HG22 ILE 72 -1.904 0.059 1.810 456 HG23 ILE 72 HG23 ILE 72 -1.301 -0.029 3.474 457 HD11 ILE 72 HD11 ILE 72 1.762 -1.871 2.379 458 HD12 ILE 72 HD12 ILE 72 1.536 -0.618 3.613 459 HD13 ILE 72 HD13 ILE 72 0.164 -1.617 3.074 460 H GLN 73 H GLN 73 -2.040 3.115 -0.436 461 HA GLN 73 HA GLN 73 -2.733 5.443 1.223 462 HB3 GLN 73 HB3 GLN 73 -4.872 5.288 -0.226 463 HG3 GLN 73 HG3 GLN 73 -2.196 5.604 -1.634 464 HE21 GLN 73 HE22 GLN 73 -5.641 6.939 -1.819 465 HE22 GLN 73 HE21 GLN 73 -5.692 6.694 -3.557 466 H LEU 74 H LEU 74 -4.406 5.555 2.775 467 HA LEU 74 HA LEU 74 -6.433 3.521 2.948 468 HB3 LEU 74 HB3 LEU 74 -5.727 3.628 5.638 469 HG LEU 74 HG LEU 74 -5.441 1.559 3.443 470 HD11 LEU 74 HD11 LEU 74 -4.674 -0.069 5.087 471 HD12 LEU 74 HD12 LEU 74 -4.490 1.232 6.295 472 HD13 LEU 74 HD13 LEU 74 -3.497 1.224 4.813 473 HD21 LEU 74 HD21 LEU 74 -6.982 1.591 6.041 474 HD22 LEU 74 HD22 LEU 74 -7.098 0.377 4.761 475 HD23 LEU 74 HD23 LEU 74 -7.671 2.024 4.457 476 H SER 75 H SER 75 -7.898 4.331 5.040 477 HA SER 75 HA SER 75 -8.428 7.154 4.583 478 HB3 SER 75 HB3 SER 75 -10.399 6.826 5.795 479 HG SER 75 HG SER 75 -10.461 5.387 4.014 480 H THR 76 H THR 76 -8.855 8.537 6.647 481 HA THR 76 HA THR 76 -6.674 9.217 8.110 482 HB THR 76 HB THR 76 -8.522 10.141 9.724 483 HG1 THR 76 HG1 THR 76 -10.570 9.606 9.200 484 HG21 THR 76 HG21 THR 76 -8.743 10.771 6.755 485 HG22 THR 76 HG22 THR 76 -7.450 11.358 7.799 486 HG23 THR 76 HG23 THR 76 -9.130 11.852 8.111 487 H ILE 77 H ILE 77 -9.364 7.418 9.565 488 HA ILE 77 HA ILE 77 -7.887 6.719 11.957 489 HB ILE 77 HB ILE 77 -10.536 5.794 10.841 490 HG13 ILE 77 HG13 ILE 77 -11.409 7.221 12.688 491 HG21 ILE 77 HG21 ILE 77 -9.772 4.039 12.244 492 HG22 ILE 77 HG22 ILE 77 -9.212 5.163 13.507 493 HG23 ILE 77 HG23 ILE 77 -10.950 4.961 13.162 494 HD11 ILE 77 HD11 ILE 77 -9.365 7.520 14.089 495 HD12 ILE 77 HD12 ILE 77 -8.698 8.565 12.806 496 HD13 ILE 77 HD13 ILE 77 -10.181 9.026 13.631 497 H GLU 78 H GLU 78 -9.002 4.938 9.080 498 HA GLU 78 HA GLU 78 -8.155 2.449 9.916 499 HB3 GLU 78 HB3 GLU 78 -8.474 1.713 7.649 500 HG3 GLU 78 HG3 GLU 78 -10.685 2.576 7.106 501 H ALA 79 H ALA 79 -6.161 4.997 8.256 502 HA ALA 79 HA ALA 79 -4.080 3.169 7.498 503 HB1 ALA 79 HB1 ALA 79 -4.045 6.167 7.988 504 HB2 ALA 79 HB2 ALA 79 -2.734 5.210 7.241 505 HB3 ALA 79 HB3 ALA 79 -4.296 5.364 6.429 506 H ALA 80 H ALA 80 -4.756 5.258 10.288 507 HA ALA 80 HA ALA 80 -2.313 4.778 11.606 508 HB1 ALA 80 HB1 ALA 80 -3.748 6.736 12.107 509 HB2 ALA 80 HB2 ALA 80 -4.980 5.646 12.789 510 HB3 ALA 80 HB3 ALA 80 -3.399 5.806 13.578 511 H GLN 81 H GLN 81 -5.578 3.225 11.993 512 HA GLN 81 HA GLN 81 -4.707 1.600 14.185 513 HB3 GLN 81 HB3 GLN 81 -7.095 2.139 13.596 514 HG3 GLN 81 HG3 GLN 81 -6.887 -0.391 11.913 515 HE21 GLN 81 HE22 GLN 81 -8.895 -1.127 11.060 516 HE22 GLN 81 HE21 GLN 81 -10.286 -0.113 11.104 517 H LEU 82 H LEU 82 -4.748 1.033 10.628 518 HA LEU 82 HA LEU 82 -3.947 -1.684 10.793 519 HB3 LEU 82 HB3 LEU 82 -2.775 -0.968 8.486 520 HG LEU 82 HG LEU 82 -4.571 -1.497 7.196 521 HD11 LEU 82 HD11 LEU 82 -5.507 -2.846 9.735 522 HD12 LEU 82 HD12 LEU 82 -3.957 -3.233 8.978 523 HD13 LEU 82 HD13 LEU 82 -5.478 -3.455 8.084 524 HD21 LEU 82 HD21 LEU 82 -6.226 0.143 7.741 525 HD22 LEU 82 HD22 LEU 82 -6.507 -0.584 9.340 526 HD23 LEU 82 HD23 LEU 82 -6.952 -1.456 7.854 527 H LEU 83 H LEU 83 -1.998 1.323 10.766 528 HA LEU 83 HA LEU 83 0.515 0.314 10.431 529 HB3 LEU 83 HB3 LEU 83 -0.219 2.386 12.524 530 HG LEU 83 HG LEU 83 2.277 1.664 12.062 531 HD11 LEU 83 HD11 LEU 83 1.642 3.388 9.621 532 HD12 LEU 83 HD12 LEU 83 2.115 1.686 9.597 533 HD13 LEU 83 HD13 LEU 83 3.269 2.910 10.147 534 HD21 LEU 83 HD21 LEU 83 1.653 3.558 13.423 535 HD22 LEU 83 HD22 LEU 83 1.272 4.523 11.988 536 HD23 LEU 83 HD23 LEU 83 2.960 4.052 12.336 537 H GLN 84 H GLN 84 -1.360 0.295 13.451 538 HA GLN 84 HA GLN 84 0.867 -0.277 15.200 539 HB3 GLN 84 HB3 GLN 84 -1.074 -0.743 16.838 540 HG3 GLN 84 HG3 GLN 84 -0.605 1.857 15.365 541 HE21 GLN 84 HE22 GLN 84 -2.715 2.607 14.873 542 HE22 GLN 84 HE21 GLN 84 -3.840 3.074 16.120 543 H ILE 85 H ILE 85 -1.332 -2.254 13.346 544 HA ILE 85 HA ILE 85 -0.894 -4.782 14.642 545 HB ILE 85 HB ILE 85 -1.816 -4.098 11.841 546 HG13 ILE 85 HG13 ILE 85 -3.201 -3.064 13.687 547 HG21 ILE 85 HG21 ILE 85 -1.126 -6.467 12.027 548 HG22 ILE 85 HG22 ILE 85 -2.155 -6.668 13.460 549 HG23 ILE 85 HG23 ILE 85 -2.874 -6.358 11.873 550 HD11 ILE 85 HD11 ILE 85 -5.255 -3.552 12.799 551 HD12 ILE 85 HD12 ILE 85 -4.133 -3.853 11.457 552 HD13 ILE 85 HD13 ILE 85 -4.801 -5.225 12.374 553 H LEU 86 H LEU 86 0.547 -2.995 11.878 554 HA LEU 86 HA LEU 86 2.236 -5.059 10.887 555 HB3 LEU 86 HB3 LEU 86 3.328 -3.416 9.622 556 HG LEU 86 HG LEU 86 0.709 -1.985 10.150 557 HD11 LEU 86 HD11 LEU 86 1.038 -1.048 7.915 558 HD12 LEU 86 HD12 LEU 86 2.618 -1.874 7.789 559 HD13 LEU 86 HD13 LEU 86 2.350 -0.613 9.002 560 HD21 LEU 86 HD21 LEU 86 -0.185 -3.154 8.190 561 HD22 LEU 86 HD22 LEU 86 0.245 -4.305 9.449 562 HD23 LEU 86 HD23 LEU 86 1.334 -4.081 8.057 563 H GLN 87 H GLN 87 2.663 -2.502 13.322 564 HA GLN 87 HA GLN 87 5.448 -2.926 13.777 565 HB3 GLN 87 HB3 GLN 87 5.248 -1.491 15.610 566 HG3 GLN 87 HG3 GLN 87 3.004 -0.206 14.178 567 HE21 GLN 87 HE22 GLN 87 5.562 1.441 13.074 568 HE22 GLN 87 HE21 GLN 87 5.732 2.557 14.413 569 H ALA 88 H ALA 88 3.253 -5.199 14.254 570 HA ALA 88 HA ALA 88 4.606 -6.408 16.599 571 HB1 ALA 88 HB1 ALA 88 1.605 -6.243 16.112 572 HB2 ALA 88 HB2 ALA 88 2.375 -7.195 17.393 573 HB3 ALA 88 HB3 ALA 88 2.507 -5.425 17.394 574 H LEU 89 H LEU 89 4.287 -6.800 13.330 575 HA LEU 89 HA LEU 89 4.560 -9.691 13.635 576 HB3 LEU 89 HB3 LEU 89 2.159 -9.317 13.133 577 HG LEU 89 HG LEU 89 2.649 -7.472 11.227 578 HD11 LEU 89 HD11 LEU 89 2.804 -10.079 9.675 579 HD12 LEU 89 HD12 LEU 89 3.969 -8.730 9.668 580 HD13 LEU 89 HD13 LEU 89 2.386 -8.501 8.977 581 HD21 LEU 89 HD21 LEU 89 0.451 -8.013 10.288 582 HD22 LEU 89 HD22 LEU 89 0.438 -8.250 12.035 583 HD23 LEU 89 HD23 LEU 89 0.540 -9.656 10.963 584 H HIS 90 H HIS 90 5.216 -10.689 11.437 585 HA HIS 90 HA HIS 90 7.002 -8.890 9.939 586 HB3 HIS 90 HB3 HIS 90 8.460 -9.845 11.567 587 HD1 HIS 90 HD1 HIS 90 7.416 -11.254 13.609 588 HD2 HIS 90 HD2 HIS 90 7.792 -13.314 9.949 589 HE1 HIS 90 HE1 HIS 90 6.923 -13.683 14.107 590 HA PRO 91 HA PRO 91 5.054 -11.259 6.793 591 HB3 PRO 91 HB3 PRO 91 5.479 -9.355 5.465 592 HG3 PRO 91 HG3 PRO 91 7.516 -8.273 5.533 593 HD3 PRO 91 HD3 PRO 91 6.982 -8.307 7.777 594 HA PRO 92 HA PRO 92 7.448 -14.948 5.928 595 HB3 PRO 92 HB3 PRO 92 5.470 -15.979 5.328 596 HG3 PRO 92 HG3 PRO 92 3.775 -14.811 4.183 597 HD3 PRO 92 HD3 PRO 92 4.248 -13.371 5.953 598 H LEU 93 H LEU 93 6.763 -12.941 3.077 599 HA LEU 93 HA LEU 93 8.929 -13.757 1.438 600 HB3 LEU 93 HB3 LEU 93 8.545 -11.217 0.637 601 HG LEU 93 HG LEU 93 6.629 -11.768 -0.731 602 HD11 LEU 93 HD11 LEU 93 8.973 -12.257 -1.405 603 HD12 LEU 93 HD12 LEU 93 7.790 -13.360 -2.149 604 HD13 LEU 93 HD13 LEU 93 8.781 -13.905 -0.789 605 HD21 LEU 93 HD21 LEU 93 5.391 -13.270 0.750 606 HD22 LEU 93 HD22 LEU 93 6.668 -14.503 0.596 607 HD23 LEU 93 HD23 LEU 93 5.709 -14.028 -0.817 608 H THR 94 H THR 94 10.969 -13.721 2.096 609 HA THR 94 HA THR 94 12.077 -11.317 3.421 610 HB THR 94 HB THR 94 12.830 -14.165 3.927 611 HG1 THR 94 HG1 THR 94 10.724 -13.805 4.785 612 HG21 THR 94 HG21 THR 94 14.143 -13.438 5.761 613 HG22 THR 94 HG22 THR 94 13.407 -11.829 5.744 614 HG23 THR 94 HG23 THR 94 14.491 -12.312 4.428 615 H ILE 95 H ILE 95 12.434 -10.913 1.188 616 HA ILE 95 HA ILE 95 14.058 -12.692 -0.495 617 HB ILE 95 HB ILE 95 12.345 -11.163 -1.487 618 HG13 ILE 95 HG13 ILE 95 15.170 -10.838 -2.588 619 HG21 ILE 95 HG21 ILE 95 12.720 -9.091 -0.258 620 HG22 ILE 95 HG22 ILE 95 14.337 -8.920 -0.968 621 HG23 ILE 95 HG23 ILE 95 12.893 -8.822 -1.988 622 HD11 ILE 95 HD11 ILE 95 14.317 -12.658 -4.177 623 HD12 ILE 95 HD12 ILE 95 14.637 -13.213 -2.529 624 HD13 ILE 95 HD13 ILE 95 12.968 -12.899 -3.060 625 H ASP 96 H ASP 96 16.307 -12.558 -0.850 626 HA ASP 96 HA ASP 96 18.486 -12.159 -0.348 627 HB3 ASP 96 HB3 ASP 96 17.589 -9.307 0.047 628 H GLY 97 H GLY 97 16.401 -12.448 1.994 629 HA2 GLY 97 HA2 GLY 97 16.736 -12.966 4.250 630 HA3 GLY 97 HA3 GLY 97 18.382 -12.333 4.154 631 H LYS 98 H LYS 98 15.801 -10.298 2.910 632 HA LYS 98 HA LYS 98 16.382 -8.299 5.022 633 HB3 LYS 98 HB3 LYS 98 14.889 -6.863 3.467 634 HG3 LYS 98 HG3 LYS 98 16.505 -6.899 1.574 635 HD3 LYS 98 HD3 LYS 98 18.468 -6.454 3.565 636 HE3 LYS 98 HE3 LYS 98 16.497 -4.788 2.038 637 HZ1 LYS 98 HZ1 LYS 98 16.395 -3.682 4.041 638 HZ2 LYS 98 HZ2 LYS 98 17.528 -2.850 3.204 639 HZ3 LYS 98 HZ3 LYS 98 17.987 -3.865 4.408 640 H THR 99 H THR 99 14.716 -7.182 6.018 641 HA THR 99 HA THR 99 12.027 -8.430 6.107 642 HB THR 99 HB THR 99 12.098 -8.003 8.629 643 HG1 THR 99 HG1 THR 99 14.907 -8.305 8.238 644 HG21 THR 99 HG21 THR 99 13.046 -10.197 9.127 645 HG22 THR 99 HG22 THR 99 13.863 -10.249 7.555 646 HG23 THR 99 HG23 THR 99 12.090 -10.282 7.635 647 H ILE 100 H ILE 100 10.437 -6.859 7.254 648 HA ILE 100 HA ILE 100 10.883 -4.403 5.645 649 HB ILE 100 HB ILE 100 8.294 -5.823 6.275 650 HG13 ILE 100 HG13 ILE 100 8.364 -6.790 3.982 651 HG21 ILE 100 HG21 ILE 100 7.457 -4.619 4.298 652 HG22 ILE 100 HG22 ILE 100 8.024 -3.527 5.565 653 HG23 ILE 100 HG23 ILE 100 9.034 -3.797 4.131 654 HD11 ILE 100 HD11 ILE 100 10.399 -7.142 2.818 655 HD12 ILE 100 HD12 ILE 100 10.229 -5.387 3.018 656 HD13 ILE 100 HD13 ILE 100 11.372 -6.288 4.013 657 H ASN 101 H ASN 101 10.760 -2.556 6.701 658 HA ASN 101 HA ASN 101 9.970 -2.477 9.547 659 HB3 ASN 101 HB3 ASN 101 10.686 0.117 8.393 660 HD21 ASN 101 HD22 ASN 101 13.414 -0.115 9.467 661 HD22 ASN 101 HD21 ASN 101 13.211 -0.160 11.219 662 H VAL 102 H VAL 102 8.849 -0.259 10.105 663 HA VAL 102 HA VAL 102 6.638 0.342 8.233 664 HB VAL 102 HB VAL 102 5.665 -1.351 9.506 665 HG11 VAL 102 HG11 VAL 102 6.725 -0.177 12.119 666 HG12 VAL 102 HG12 VAL 102 5.733 -1.650 11.894 667 HG13 VAL 102 HG13 VAL 102 7.370 -1.618 11.316 668 HG21 VAL 102 HG21 VAL 102 3.940 -0.218 10.845 669 HG22 VAL 102 HG22 VAL 102 4.926 1.233 10.943 670 HG23 VAL 102 HG23 VAL 102 4.310 0.693 9.369 671 H GLU 103 H GLU 103 6.196 2.468 8.118 672 HA GLU 103 HA GLU 103 6.602 4.280 10.361 673 HB3 GLU 103 HB3 GLU 103 8.017 4.417 7.676 674 HG3 GLU 103 HG3 GLU 103 7.133 6.715 8.022 675 H PHE 104 H PHE 104 5.439 6.452 9.597 676 HA PHE 104 HA PHE 104 3.166 5.809 7.811 677 HB3 PHE 104 HB3 PHE 104 3.022 6.956 10.622 678 HD1 PHE 104 HD2 PHE 104 1.144 6.476 7.453 679 HD2 PHE 104 HD1 PHE 104 0.822 6.869 11.740 680 HE1 PHE 104 HE2 PHE 104 -1.256 6.925 7.233 681 HE2 PHE 104 HE1 PHE 104 -1.586 7.291 11.519 682 HZ PHE 104 HZ PHE 104 -2.653 7.305 9.266 683 H ALA 105 H ALA 105 3.538 7.268 6.247 684 HA ALA 105 HA ALA 105 4.946 9.766 6.767 685 HB1 ALA 105 HB1 ALA 105 3.549 8.931 4.205 686 HB2 ALA 105 HB2 ALA 105 4.878 10.090 4.397 687 HB3 ALA 105 HB3 ALA 105 5.190 8.368 4.657 688 H LYS 106 H LYS 106 2.225 9.409 8.065 689 HA LYS 106 HA LYS 106 0.265 11.066 6.906 690 HB3 LYS 106 HB3 LYS 106 0.732 10.854 9.882 691 HG3 LYS 106 HG3 LYS 106 -1.658 10.701 8.002 692 HD3 LYS 106 HD3 LYS 106 -1.384 10.718 10.995 693 HE3 LYS 106 HE3 LYS 106 -3.311 12.238 9.648 694 HZ1 LYS 106 HZ1 LYS 106 -5.366 11.171 10.249 695 HZ2 LYS 106 HZ2 LYS 106 -4.596 9.762 10.618 696 HZ3 LYS 106 HZ3 LYS 106 -4.590 10.365 9.063 697 H GLY 107 H GLY 107 -0.233 13.238 7.415 698 HA2 GLY 107 HA2 GLY 107 2.146 14.934 7.812 699 HA3 GLY 107 HA3 GLY 107 0.609 15.422 7.098 700 H SER 108 H SER 108 1.044 17.253 8.554 701 HA SER 108 HA SER 108 0.542 16.995 11.418 702 HB3 SER 108 HB3 SER 108 1.987 18.756 10.747 703 HG SER 108 HG SER 108 1.240 20.365 9.224 704 H LYS 109 H LYS 109 -1.279 18.680 12.265 705 HA LYS 109 HA LYS 109 -3.635 18.911 10.646 706 HB3 LYS 109 HB3 LYS 109 -3.824 16.611 11.493 707 HG3 LYS 109 HG3 LYS 109 -4.325 17.792 14.258 708 HD3 LYS 109 HD3 LYS 109 -5.339 15.544 13.685 709 HE3 LYS 109 HE3 LYS 109 -2.397 15.002 13.214 710 HZ1 LYS 109 HZ1 LYS 109 -2.764 12.772 13.232 711 HZ2 LYS 109 HZ2 LYS 109 -4.402 12.880 13.535 712 HZ3 LYS 109 HZ3 LYS 109 -3.304 13.303 14.695 713 H ARG 110 H ARG 110 -5.462 19.876 12.261 714 HA ARG 110 HA ARG 110 -4.554 20.714 14.813 715 HB3 ARG 110 HB3 ARG 110 -5.674 22.980 13.116 716 HG3 ARG 110 HG3 ARG 110 -3.855 22.924 15.584 717 HD3 ARG 110 HD3 ARG 110 -4.288 25.332 15.714 718 HE ARG 110 HE ARG 110 -2.403 24.502 14.258 719 HH11 ARG 110 HH11 ARG 110 -4.957 26.642 12.949 720 HH12 ARG 110 HH12 ARG 110 -4.001 27.129 11.602 721 HH21 ARG 110 HH22 ARG 110 -1.306 24.916 12.303 722 HH22 ARG 110 HH21 ARG 110 -1.902 26.095 11.202 723 H ASP 111 H ASP 111 -6.586 21.653 16.008 724 HA ASP 111 HA ASP 111 -9.160 21.440 14.703 725 HB3 ASP 111 HB3 ASP 111 -8.887 19.960 17.324 726 H MET 112 H MET 112 -10.737 22.713 16.087 727 HA MET 112 HA MET 112 -9.959 23.855 18.584 728 HB3 MET 112 HB3 MET 112 -10.173 26.003 16.453 729 HG3 MET 112 HG3 MET 112 -8.517 27.103 17.959 730 HE1 MET 112 HE1 MET 112 -8.797 27.329 20.937 731 HE2 MET 112 HE2 MET 112 -8.951 28.817 19.983 732 HE3 MET 112 HE3 MET 112 -10.146 28.440 21.244 733 H ALA 113 H ALA 113 -11.895 24.489 19.617 734 HA ALA 113 HA ALA 113 -14.030 25.654 17.981 735 HB1 ALA 113 HB1 ALA 113 -14.737 23.304 18.117 736 HB2 ALA 113 HB2 ALA 113 -14.572 23.344 19.889 737 HB3 ALA 113 HB3 ALA 113 -15.804 24.337 19.085 738 H SER 114 H SER 114 -15.415 27.093 19.178 739 HA SER 114 HA SER 114 -15.093 27.614 22.005 740 HB3 SER 114 HB3 SER 114 -14.456 29.985 21.356 741 HG SER 114 HG SER 114 -12.744 27.766 21.112 742 H ASN 115 H ASN 115 -17.274 28.173 22.549 743 HA ASN 115 HA ASN 115 -18.888 29.681 20.625 744 HB3 ASN 115 HB3 ASN 115 -19.865 26.941 21.525 745 HD21 ASN 115 HD22 ASN 115 -20.379 26.879 18.399 746 HD22 ASN 115 HD21 ASN 115 -21.876 27.815 18.304 747 H GLU 116 H GLU 116 -19.475 31.304 22.110 748 HA GLU 116 HA GLU 116 -21.357 30.673 24.098 749 HB3 GLU 116 HB3 GLU 116 -19.080 32.260 25.286 750 HG3 GLU 116 HG3 GLU 116 -19.706 31.077 27.370 751 H GLY 117 H GLY 117 -22.156 32.903 24.911 752 HA2 GLY 117 HA2 GLY 117 -21.183 35.356 24.402 753 HA3 GLY 117 HA3 GLY 117 -22.069 35.026 22.908 754 H SER 118 H SER 118 -23.312 33.632 25.950 755 HA SER 118 HA SER 118 -25.854 34.537 25.110 756 HB3 SER 118 HB3 SER 118 -25.622 32.356 26.011 757 HG SER 118 HG SER 118 -23.874 32.457 27.326 758 H ARG 119 H ARG 119 -23.733 36.356 26.982 759 HA ARG 119 HA ARG 119 -25.684 37.114 28.986 760 HB3 ARG 119 HB3 ARG 119 -22.994 38.483 28.796 761 HG3 ARG 119 HG3 ARG 119 -23.217 38.067 31.317 762 HD3 ARG 119 HD3 ARG 119 -25.515 39.694 30.196 763 HE ARG 119 HE ARG 119 -24.039 39.879 32.768 764 HH11 ARG 119 HH11 ARG 119 -27.039 40.431 30.936 765 HH12 ARG 119 HH12 ARG 119 -27.758 41.496 32.077 766 HH21 ARG 119 HH22 ARG 119 -25.106 41.073 34.463 767 HH22 ARG 119 HH21 ARG 119 -26.701 41.689 34.210 768 H ILE 120 H ILE 120 -26.998 37.694 27.280 769 HA ILE 120 HA ILE 120 -27.156 40.609 26.651 770 HB ILE 120 HB ILE 120 -29.542 40.106 26.050 771 HG13 ILE 120 HG13 ILE 120 -29.571 37.952 27.546 772 HG21 ILE 120 HG21 ILE 120 -27.423 38.507 24.589 773 HG22 ILE 120 HG22 ILE 120 -28.966 39.089 23.920 774 HG23 ILE 120 HG23 ILE 120 -27.729 40.250 24.437 775 HD11 ILE 120 HD11 ILE 120 -30.799 37.826 24.752 776 HD12 ILE 120 HD12 ILE 120 -31.321 36.922 26.183 777 HD13 ILE 120 HD13 ILE 120 -31.500 38.688 26.142 778 H SER 121 H SER 121 -29.628 41.421 27.560 779 HA SER 121 HA SER 121 -29.934 40.708 30.349 780 HB3 SER 121 HB3 SER 121 -29.504 43.621 29.747 781 HG SER 121 HG SER 121 -29.959 43.294 31.860 782 H ALA 122 H ALA 122 -32.091 41.373 31.058 783 HA ALA 122 HA ALA 122 -33.715 43.128 29.461 784 HB1 ALA 122 HB1 ALA 122 -34.504 40.192 29.863 785 HB2 ALA 122 HB2 ALA 122 -35.562 41.466 29.227 786 HB3 ALA 122 HB3 ALA 122 -34.140 40.963 28.298 787 H ALA 123 H ALA 123 -35.841 43.368 30.739 788 HA ALA 123 HA ALA 123 -36.242 42.062 33.181 789 HB1 ALA 123 HB1 ALA 123 -36.277 44.067 34.703 790 HB2 ALA 123 HB2 ALA 123 -34.646 43.583 34.223 791 HB3 ALA 123 HB3 ALA 123 -35.403 45.000 33.466 792 H SER 124 H SER 124 -37.111 45.480 32.529 793 HA SER 124 HA SER 124 -39.266 44.982 30.779 794 HB3 SER 124 HB3 SER 124 -40.023 45.938 33.580 795 HG SER 124 HG SER 124 -42.137 45.499 32.668 796 H VAL 125 H VAL 125 -40.482 47.346 30.753 797 HA VAL 125 HA VAL 125 -38.614 49.536 31.224 798 HB VAL 125 HB VAL 125 -39.710 48.827 28.460 799 HG11 VAL 125 HG11 VAL 125 -38.050 51.237 29.348 800 HG12 VAL 125 HG12 VAL 125 -38.441 50.827 27.666 801 HG13 VAL 125 HG13 VAL 125 -39.735 51.274 28.771 802 HG21 VAL 125 HG21 VAL 125 -37.313 48.759 27.754 803 HG22 VAL 125 HG22 VAL 125 -36.834 48.912 29.458 804 HG23 VAL 125 HG23 VAL 125 -37.725 47.483 28.894 805 H ALA 126 H ALA 126 -39.842 51.475 31.457 806 HA ALA 126 HA ALA 126 -42.694 51.451 30.821 807 HB1 ALA 126 HB1 ALA 126 -42.657 50.833 33.222 808 HB2 ALA 126 HB2 ALA 126 -41.611 52.231 33.574 809 HB3 ALA 126 HB3 ALA 126 -43.274 52.483 33.000 810 H SER 127 H SER 127 -43.310 53.513 30.129 811 HA SER 127 HA SER 127 -41.616 55.851 30.587 812 HB3 SER 127 HB3 SER 127 -41.177 56.315 28.265 813 HG SER 127 HG SER 127 -40.048 54.388 29.494 814 H THR 128 H THR 128 -44.584 54.715 30.911 815 HA THR 128 HA THR 128 -46.176 56.485 29.287 816 HB THR 128 HB THR 128 -47.840 55.554 31.192 817 HG1 THR 128 HG1 THR 128 -47.146 53.766 32.150 818 HG21 THR 128 HG21 THR 128 -46.682 53.804 28.972 819 HG22 THR 128 HG22 THR 128 -47.978 55.007 28.784 820 HG23 THR 128 HG23 THR 128 -48.250 53.567 29.778 821 H ALA 129 H ALA 129 -47.523 58.152 30.215 822 HA ALA 129 HA ALA 129 -46.971 59.226 32.822 823 HB1 ALA 129 HB1 ALA 129 -46.485 60.888 30.293 824 HB2 ALA 129 HB2 ALA 129 -46.462 61.496 31.961 825 HB3 ALA 129 HB3 ALA 129 -45.222 60.352 31.426 826 H ILE 130 H ILE 130 -48.483 61.513 32.559 827 HA ILE 130 HA ILE 130 -50.878 60.968 30.981 828 HB ILE 130 HB ILE 130 -50.861 61.925 33.881 829 HG13 ILE 130 HG13 ILE 130 -52.169 60.003 34.493 830 HG21 ILE 130 HG21 ILE 130 -53.371 61.947 33.674 831 HG22 ILE 130 HG22 ILE 130 -52.552 63.186 32.728 832 HG23 ILE 130 HG23 ILE 130 -53.180 61.749 31.916 833 HD11 ILE 130 HD11 ILE 130 -52.471 58.052 33.007 834 HD12 ILE 130 HD12 ILE 130 -53.413 59.440 32.449 835 HD13 ILE 130 HD13 ILE 130 -51.903 58.998 31.622 836 H ALA 131 H ALA 131 -51.804 63.096 30.326 837 HA ALA 131 HA ALA 131 -50.547 65.525 31.019 838 HB1 ALA 131 HB1 ALA 131 -50.226 66.202 28.654 839 HB2 ALA 131 HB2 ALA 131 -49.103 64.889 29.083 840 HB3 ALA 131 HB3 ALA 131 -50.568 64.547 28.118 Start of MODEL 20 1 H1 GLN 1 H1 GLN 1 33.641 -0.682 -8.390 2 HA GLN 1 HA GLN 1 34.643 -1.518 -5.737 3 HB3 GLN 1 HB3 GLN 1 35.295 1.115 -7.136 4 HG3 GLN 1 HG3 GLN 1 35.636 0.991 -4.622 5 HE21 GLN 1 HE22 GLN 1 38.858 -0.225 -5.314 6 HE22 GLN 1 HE21 GLN 1 38.658 -1.779 -4.537 7 H ALA 2 H ALA 2 33.101 -1.072 -4.172 8 HA ALA 2 HA ALA 2 31.236 -0.243 -3.206 9 HB1 ALA 2 HB1 ALA 2 31.478 2.106 -2.613 10 HB2 ALA 2 HB2 ALA 2 33.055 1.294 -2.565 11 HB3 ALA 2 HB3 ALA 2 32.633 2.356 -3.934 12 H GLN 3 H GLN 3 30.207 -1.102 -5.336 13 HA GLN 3 HA GLN 3 28.796 -1.083 -7.029 14 HB3 GLN 3 HB3 GLN 3 27.064 0.747 -7.250 15 HG3 GLN 3 HG3 GLN 3 26.881 -1.524 -5.934 16 HE21 GLN 3 HE22 GLN 3 28.454 -1.730 -3.980 17 HE22 GLN 3 HE21 GLN 3 27.769 -1.267 -2.453 18 H GLY 4 H GLY 4 30.143 2.321 -6.889 19 HA2 GLY 4 HA2 GLY 4 31.841 1.996 -8.955 20 HA3 GLY 4 HA3 GLY 4 30.342 2.334 -9.836 21 H VAL 5 H VAL 5 29.095 4.314 -9.067 22 HA VAL 5 HA VAL 5 30.770 6.417 -7.909 23 HB VAL 5 HB VAL 5 29.917 8.011 -9.645 24 HG11 VAL 5 HG11 VAL 5 31.676 7.535 -11.254 25 HG12 VAL 5 HG12 VAL 5 32.246 7.152 -9.620 26 HG13 VAL 5 HG13 VAL 5 31.769 5.844 -10.719 27 HG21 VAL 5 HG21 VAL 5 28.110 6.654 -10.680 28 HG22 VAL 5 HG22 VAL 5 29.296 7.193 -11.872 29 HG23 VAL 5 HG23 VAL 5 29.323 5.515 -11.305 30 H LEU 6 H LEU 6 29.669 7.515 -6.459 31 HA LEU 6 HA LEU 6 26.764 7.641 -6.378 32 HB3 LEU 6 HB3 LEU 6 27.068 5.646 -5.192 33 HG LEU 6 HG LEU 6 29.448 6.968 -3.906 34 HD11 LEU 6 HD11 LEU 6 29.317 5.633 -1.910 35 HD12 LEU 6 HD12 LEU 6 27.741 4.939 -2.405 36 HD13 LEU 6 HD13 LEU 6 27.901 6.665 -1.989 37 HD21 LEU 6 HD21 LEU 6 29.638 5.167 -5.591 38 HD22 LEU 6 HD22 LEU 6 28.703 4.096 -4.555 39 HD23 LEU 6 HD23 LEU 6 30.310 4.674 -4.035 40 H ALA 7 H ALA 7 26.090 9.463 -4.926 41 HA ALA 7 HA ALA 7 28.070 10.945 -3.457 42 HB1 ALA 7 HB1 ALA 7 28.781 11.794 -5.621 43 HB2 ALA 7 HB2 ALA 7 27.111 12.138 -6.098 44 HB3 ALA 7 HB3 ALA 7 27.875 13.066 -4.789 45 H SER 8 H SER 8 27.085 11.860 -1.864 46 HA SER 8 HA SER 8 24.284 11.920 -1.395 47 HB3 SER 8 HB3 SER 8 25.011 13.317 0.551 48 HG SER 8 HG SER 8 25.620 11.530 1.375 49 H GLN 9 H GLN 9 22.912 13.870 -1.251 50 HA GLN 9 HA GLN 9 23.675 16.080 -3.079 51 HB3 GLN 9 HB3 GLN 9 21.074 14.506 -3.064 52 HG3 GLN 9 HG3 GLN 9 22.006 16.466 -5.184 53 HE21 GLN 9 HE22 GLN 9 20.978 15.305 -6.908 54 HE22 GLN 9 HE21 GLN 9 19.255 14.996 -6.958 55 H ALA 10 H ALA 10 22.567 18.072 -2.468 56 HA ALA 10 HA ALA 10 21.986 18.330 0.352 57 HB1 ALA 10 HB1 ALA 10 21.674 20.682 -0.180 58 HB2 ALA 10 HB2 ALA 10 23.086 20.100 -1.074 59 HB3 ALA 10 HB3 ALA 10 21.530 20.327 -1.910 60 H LEU 11 H LEU 11 19.865 19.904 0.617 61 HA LEU 11 HA LEU 11 17.507 18.457 -0.506 62 HB3 LEU 11 HB3 LEU 11 16.375 19.475 1.620 63 HG LEU 11 HG LEU 11 16.782 17.644 3.062 64 HD11 LEU 11 HD11 LEU 11 16.846 16.481 0.255 65 HD12 LEU 11 HD12 LEU 11 15.443 17.322 0.932 66 HD13 LEU 11 HD13 LEU 11 16.035 15.849 1.706 67 HD21 LEU 11 HD21 LEU 11 19.060 16.656 1.316 68 HD22 LEU 11 HD22 LEU 11 18.441 15.948 2.819 69 HD23 LEU 11 HD23 LEU 11 19.266 17.506 2.863 70 H SER 12 H SER 12 15.639 19.899 -0.784 71 HA SER 12 HA SER 12 16.349 22.742 -1.291 72 HB3 SER 12 HB3 SER 12 15.129 22.641 -3.387 73 HG SER 12 HG SER 12 16.371 20.692 -4.320 74 H GLN 13 H GLN 13 13.677 23.431 -2.159 75 HA GLN 13 HA GLN 13 12.059 22.936 0.255 76 HB3 GLN 13 HB3 GLN 13 11.619 25.630 -0.677 77 HG3 GLN 13 HG3 GLN 13 13.062 24.752 1.851 78 HE21 GLN 13 HE22 GLN 13 10.595 26.168 3.101 79 HE22 GLN 13 HE21 GLN 13 10.989 27.884 2.965 80 H GLY 14 H GLY 14 9.778 24.213 -0.414 81 HA2 GLY 14 HA2 GLY 14 8.213 24.434 -2.269 82 HA3 GLY 14 HA3 GLY 14 8.935 22.984 -3.006 83 H SER 15 H SER 15 6.199 23.830 -1.415 84 HA SER 15 HA SER 15 5.973 21.232 -0.047 85 HB3 SER 15 HB3 SER 15 5.798 22.771 1.700 86 HG SER 15 HG SER 15 4.475 24.591 1.624 87 H GLU 16 H GLU 16 4.652 20.014 -0.980 88 HA GLU 16 HA GLU 16 2.336 20.875 -2.616 89 HB3 GLU 16 HB3 GLU 16 4.661 19.312 -3.804 90 HG3 GLU 16 HG3 GLU 16 2.043 20.212 -5.088 91 HA PRO 17 HA PRO 17 2.134 16.967 -0.126 92 HB3 PRO 17 HB3 PRO 17 1.563 18.129 1.783 93 HG3 PRO 17 HG3 PRO 17 0.277 20.133 1.702 94 HD3 PRO 17 HD3 PRO 17 2.045 20.564 0.222 95 H SER 18 H SER 18 -0.602 18.627 -1.680 96 HA SER 18 HA SER 18 -1.609 16.550 -3.259 97 HB3 SER 18 HB3 SER 18 -2.810 16.711 -0.477 98 HG SER 18 HG SER 18 -4.111 15.853 -2.868 99 H SER 19 H SER 19 -2.564 19.113 -1.003 100 HA SER 19 HA SER 19 -3.590 21.072 -1.162 101 HB3 SER 19 HB3 SER 19 -4.303 20.776 -4.083 102 HG SER 19 HG SER 19 -4.875 22.712 -3.434 103 H GLU 20 H GLU 20 -4.955 17.980 -1.665 104 HA GLU 20 HA GLU 20 -7.716 19.050 -1.551 105 HB3 GLU 20 HB3 GLU 20 -8.276 17.205 -3.198 106 HG3 GLU 20 HG3 GLU 20 -7.468 18.214 -5.207 107 H ASN 21 H ASN 21 -8.993 16.652 -1.507 108 HA ASN 21 HA ASN 21 -8.899 15.912 1.220 109 HB3 ASN 21 HB3 ASN 21 -10.984 15.949 0.013 110 HD21 ASN 21 HD22 ASN 21 -10.646 16.201 -2.415 111 HD22 ASN 21 HD21 ASN 21 -10.907 14.764 -3.390 112 H ALA 22 H ALA 22 -6.467 15.379 1.091 113 HA ALA 22 HA ALA 22 -6.210 12.457 1.192 114 HB1 ALA 22 HB1 ALA 22 -5.090 13.188 -0.947 115 HB2 ALA 22 HB2 ALA 22 -4.125 14.345 0.019 116 HB3 ALA 22 HB3 ALA 22 -3.930 12.610 0.275 117 H ASN 23 H ASN 23 -5.313 11.991 3.108 118 HA ASN 23 HA ASN 23 -3.726 13.959 4.606 119 HB3 ASN 23 HB3 ASN 23 -6.267 14.365 5.131 120 HD21 ASN 23 HD22 ASN 23 -7.430 12.237 4.684 121 HD22 ASN 23 HD21 ASN 23 -7.473 10.962 5.871 122 H ASP 24 H ASP 24 -4.429 10.819 3.824 123 HA ASP 24 HA ASP 24 -3.040 9.497 6.101 124 HB3 ASP 24 HB3 ASP 24 -5.126 9.164 6.742 125 H THR 25 H THR 25 -1.292 8.569 5.321 126 HA THR 25 HA THR 25 -1.493 6.583 3.252 127 HB THR 25 HB THR 25 0.183 9.084 2.866 128 HG1 THR 25 HG1 THR 25 -2.022 8.507 1.902 129 HG21 THR 25 HG21 THR 25 1.751 7.203 2.555 130 HG22 THR 25 HG22 THR 25 1.394 8.041 1.044 131 HG23 THR 25 HG23 THR 25 0.630 6.480 1.382 132 H ILE 26 H ILE 26 0.188 5.037 3.520 133 HA ILE 26 HA ILE 26 1.964 5.356 5.888 134 HB ILE 26 HB ILE 26 0.363 3.033 4.788 135 HG13 ILE 26 HG13 ILE 26 -0.447 4.850 6.618 136 HG21 ILE 26 HG21 ILE 26 1.424 1.598 6.551 137 HG22 ILE 26 HG22 ILE 26 2.538 2.050 5.271 138 HG23 ILE 26 HG23 ILE 26 2.614 2.883 6.826 139 HD11 ILE 26 HD11 ILE 26 -0.922 1.880 6.571 140 HD12 ILE 26 HD12 ILE 26 -1.652 2.892 7.813 141 HD13 ILE 26 HD13 ILE 26 -1.988 3.198 6.071 142 H ILE 27 H ILE 27 4.016 4.102 5.651 143 HA ILE 27 HA ILE 27 4.915 3.871 2.846 144 HB ILE 27 HB ILE 27 5.406 6.090 3.799 145 HG13 ILE 27 HG13 ILE 27 7.142 4.455 2.282 146 HG21 ILE 27 HG21 ILE 27 7.410 4.716 5.622 147 HG22 ILE 27 HG22 ILE 27 7.155 6.455 5.434 148 HG23 ILE 27 HG23 ILE 27 5.884 5.462 6.160 149 HD11 ILE 27 HD11 ILE 27 6.155 6.553 1.538 150 HD12 ILE 27 HD12 ILE 27 7.061 7.468 2.766 151 HD13 ILE 27 HD13 ILE 27 7.915 6.681 1.426 152 H LEU 28 H LEU 28 6.304 2.258 2.490 153 HA LEU 28 HA LEU 28 7.090 0.434 4.730 154 HB3 LEU 28 HB3 LEU 28 7.552 -1.182 2.955 155 HG LEU 28 HG LEU 28 5.488 -1.894 2.255 156 HD11 LEU 28 HD11 LEU 28 5.617 -1.759 4.732 157 HD12 LEU 28 HD12 LEU 28 3.963 -1.681 4.118 158 HD13 LEU 28 HD13 LEU 28 4.763 -0.205 4.685 159 HD21 LEU 28 HD21 LEU 28 4.796 0.162 0.982 160 HD22 LEU 28 HD22 LEU 28 4.181 0.831 2.499 161 HD23 LEU 28 HD23 LEU 28 3.510 -0.671 1.848 162 H ARG 29 H ARG 29 9.388 -0.104 4.810 163 HA ARG 29 HA ARG 29 11.231 1.399 3.062 164 HB3 ARG 29 HB3 ARG 29 12.602 2.060 5.043 165 HG3 ARG 29 HG3 ARG 29 9.778 3.180 5.121 166 HD3 ARG 29 HD3 ARG 29 11.285 3.776 7.088 167 HE ARG 29 HE ARG 29 13.195 4.394 5.202 168 HH11 ARG 29 HH11 ARG 29 11.383 6.452 7.483 169 HH12 ARG 29 HH12 ARG 29 12.740 7.449 7.886 170 HH21 ARG 29 HH22 ARG 29 14.929 5.877 5.567 171 HH22 ARG 29 HH21 ARG 29 14.753 7.179 6.694 172 H ASN 30 H ASN 30 13.617 0.510 3.834 173 HA ASN 30 HA ASN 30 15.077 -1.142 3.912 174 HB3 ASN 30 HB3 ASN 30 13.063 -2.782 5.467 175 HD21 ASN 30 HD22 ASN 30 13.954 -4.653 6.224 176 HD22 ASN 30 HD21 ASN 30 15.701 -5.015 6.290 177 H LEU 31 H LEU 31 13.179 -1.115 1.622 178 HA LEU 31 HA LEU 31 12.595 -3.946 1.056 179 HB3 LEU 31 HB3 LEU 31 11.506 -3.057 -0.930 180 HG LEU 31 HG LEU 31 10.940 -1.002 1.245 181 HD11 LEU 31 HD11 LEU 31 9.860 -0.894 -1.099 182 HD12 LEU 31 HD12 LEU 31 8.803 -0.842 0.330 183 HD13 LEU 31 HD13 LEU 31 8.953 -2.342 -0.589 184 HD21 LEU 31 HD21 LEU 31 10.856 -3.132 2.399 185 HD22 LEU 31 HD22 LEU 31 10.016 -3.876 1.040 186 HD23 LEU 31 HD23 LEU 31 9.201 -2.643 2.041 187 H ASN 32 H ASN 32 13.825 -5.327 -0.427 188 HA ASN 32 HA ASN 32 16.381 -4.116 -1.294 189 HB3 ASN 32 HB3 ASN 32 15.920 -6.831 -2.306 190 HD21 ASN 32 HD22 ASN 32 17.923 -8.219 -1.737 191 HD22 ASN 32 HD21 ASN 32 19.330 -7.300 -1.189 192 HA PRO 33 HA PRO 33 15.233 -3.047 -5.309 193 HB3 PRO 33 HB3 PRO 33 17.265 -2.745 -6.228 194 HG3 PRO 33 HG3 PRO 33 19.092 -3.785 -5.246 195 HD3 PRO 33 HD3 PRO 33 17.884 -3.480 -3.265 196 H HIS 34 H HIS 34 15.618 -6.521 -4.940 197 HA HIS 34 HA HIS 34 13.732 -7.121 -7.134 198 HB3 HIS 34 HB3 HIS 34 14.445 -9.472 -6.631 199 HD1 HIS 34 HD1 HIS 34 15.145 -9.146 -9.249 200 HD2 HIS 34 HD2 HIS 34 17.675 -7.369 -6.380 201 HE1 HIS 34 HE1 HIS 34 17.211 -8.364 -10.490 202 H SER 35 H SER 35 13.074 -6.071 -4.098 203 HA SER 35 HA SER 35 11.641 -8.328 -3.084 204 HB3 SER 35 HB3 SER 35 12.606 -6.566 -1.666 205 HG SER 35 HG SER 35 10.476 -4.929 -1.878 206 H THR 36 H THR 36 9.122 -7.587 -2.525 207 HA THR 36 HA THR 36 7.774 -6.481 -4.918 208 HB THR 36 HB THR 36 6.242 -8.634 -4.714 209 HG1 THR 36 HG1 THR 36 8.322 -9.306 -3.163 210 HG21 THR 36 HG21 THR 36 7.645 -7.835 -6.677 211 HG22 THR 36 HG22 THR 36 7.294 -9.554 -6.557 212 HG23 THR 36 HG23 THR 36 8.908 -8.955 -6.109 213 H MET 37 H MET 37 5.338 -6.510 -4.620 214 HA MET 37 HA MET 37 4.609 -5.279 -2.126 215 HB3 MET 37 HB3 MET 37 3.783 -4.794 -4.448 216 HG3 MET 37 HG3 MET 37 1.790 -7.039 -4.090 217 HE1 MET 37 HE1 MET 37 0.080 -5.096 -4.867 218 HE2 MET 37 HE2 MET 37 1.345 -3.855 -4.973 219 HE3 MET 37 HE3 MET 37 0.245 -4.137 -6.346 220 H ASP 38 H ASP 38 4.631 -8.612 -3.227 221 HA ASP 38 HA ASP 38 2.338 -9.552 -1.986 222 HB3 ASP 38 HB3 ASP 38 3.817 -11.794 -2.023 223 H SER 39 H SER 39 5.594 -9.200 -0.593 224 HA SER 39 HA SER 39 5.245 -10.398 1.911 225 HB3 SER 39 HB3 SER 39 7.426 -9.638 1.293 226 HG SER 39 HG SER 39 6.554 -6.986 1.086 227 H ILE 40 H ILE 40 3.590 -7.602 0.671 228 HA ILE 40 HA ILE 40 2.903 -6.700 3.423 229 HB ILE 40 HB ILE 40 2.928 -5.268 0.741 230 HG13 ILE 40 HG13 ILE 40 5.003 -5.681 2.736 231 HG21 ILE 40 HG21 ILE 40 2.463 -3.226 2.111 232 HG22 ILE 40 HG22 ILE 40 1.123 -4.370 1.952 233 HG23 ILE 40 HG23 ILE 40 2.064 -4.315 3.464 234 HD11 ILE 40 HD11 ILE 40 5.359 -5.508 0.267 235 HD12 ILE 40 HD12 ILE 40 4.920 -3.791 0.349 236 HD13 ILE 40 HD13 ILE 40 6.374 -4.369 1.183 237 H LEU 41 H LEU 41 1.525 -7.535 0.173 238 HA LEU 41 HA LEU 41 -1.195 -7.214 0.995 239 HB3 LEU 41 HB3 LEU 41 -1.685 -8.887 -0.881 240 HG LEU 41 HG LEU 41 -0.032 -6.499 -1.774 241 HD11 LEU 41 HD11 LEU 41 -0.710 -8.235 -3.483 242 HD12 LEU 41 HD12 LEU 41 -1.381 -6.627 -3.778 243 HD13 LEU 41 HD13 LEU 41 -2.408 -7.892 -3.080 244 HD21 LEU 41 HD21 LEU 41 -2.302 -5.328 -1.917 245 HD22 LEU 41 HD22 LEU 41 -1.681 -5.543 -0.286 246 HD23 LEU 41 HD23 LEU 41 -2.954 -6.623 -0.904 247 H GLY 42 H GLY 42 0.828 -10.196 0.931 248 HA2 GLY 42 HA2 GLY 42 -1.304 -11.780 2.054 249 HA3 GLY 42 HA3 GLY 42 0.384 -12.271 1.857 250 H ALA 43 H ALA 43 1.197 -9.783 3.505 251 HA ALA 43 HA ALA 43 1.351 -11.049 6.086 252 HB1 ALA 43 HB1 ALA 43 3.074 -9.509 5.595 253 HB2 ALA 43 HB2 ALA 43 1.940 -8.258 5.022 254 HB3 ALA 43 HB3 ALA 43 2.050 -8.634 6.733 255 H LEU 44 H LEU 44 -1.032 -8.942 4.605 256 HA LEU 44 HA LEU 44 -2.250 -8.361 7.275 257 HB3 LEU 44 HB3 LEU 44 -2.751 -6.123 6.399 258 HG LEU 44 HG LEU 44 0.189 -6.905 6.113 259 HD11 LEU 44 HD11 LEU 44 0.728 -4.594 6.346 260 HD12 LEU 44 HD12 LEU 44 -1.008 -4.134 6.261 261 HD13 LEU 44 HD13 LEU 44 -0.192 -4.886 4.865 262 HD21 LEU 44 HD21 LEU 44 -1.319 -5.579 8.406 263 HD22 LEU 44 HD22 LEU 44 0.436 -5.859 8.307 264 HD23 LEU 44 HD23 LEU 44 -0.655 -7.233 8.396 265 H ALA 45 H ALA 45 -2.842 -10.161 4.620 266 HA ALA 45 HA ALA 45 -5.332 -9.486 3.655 267 HB1 ALA 45 HB1 ALA 45 -3.898 -11.313 2.829 268 HB2 ALA 45 HB2 ALA 45 -4.303 -12.288 4.243 269 HB3 ALA 45 HB3 ALA 45 -5.574 -11.836 3.094 270 HA PRO 46 HA PRO 46 -7.703 -11.056 7.309 271 HB3 PRO 46 HB3 PRO 46 -6.680 -13.169 7.894 272 HG3 PRO 46 HG3 PRO 46 -4.357 -13.249 8.460 273 HD3 PRO 46 HD3 PRO 46 -4.193 -12.291 6.352 274 H TYR 47 H TYR 47 -5.376 -8.767 7.679 275 HA TYR 47 HA TYR 47 -6.523 -7.740 10.233 276 HB3 TYR 47 HB3 TYR 47 -4.441 -6.949 10.905 277 HD1 TYR 47 HD1 TYR 47 -5.700 -9.306 11.766 278 HD2 TYR 47 HD2 TYR 47 -2.085 -8.972 9.451 279 HE1 TYR 47 HE1 TYR 47 -5.030 -11.577 12.497 280 HE2 TYR 47 HE2 TYR 47 -1.402 -11.245 10.175 281 HH TYR 47 HH TYR 47 -1.909 -13.071 11.526 282 H ALA 48 H ALA 48 -6.705 -7.365 7.085 283 HA ALA 48 HA ALA 48 -7.326 -4.493 7.169 284 HB1 ALA 48 HB1 ALA 48 -4.859 -4.485 6.714 285 HB2 ALA 48 HB2 ALA 48 -5.146 -5.489 5.276 286 HB3 ALA 48 HB3 ALA 48 -5.808 -3.841 5.371 287 H VAL 49 H VAL 49 -8.246 -3.778 5.026 288 HA VAL 49 HA VAL 49 -9.311 -6.018 3.435 289 HB VAL 49 HB VAL 49 -10.824 -5.760 5.213 290 HG11 VAL 49 HG11 VAL 49 -11.272 -2.866 4.448 291 HG12 VAL 49 HG12 VAL 49 -12.155 -3.800 5.672 292 HG13 VAL 49 HG13 VAL 49 -10.435 -3.446 5.903 293 HG21 VAL 49 HG21 VAL 49 -12.849 -5.496 3.972 294 HG22 VAL 49 HG22 VAL 49 -12.005 -4.616 2.671 295 HG23 VAL 49 HG23 VAL 49 -11.654 -6.337 2.978 296 H LEU 50 H LEU 50 -7.767 -5.383 1.998 297 HA LEU 50 HA LEU 50 -8.457 -3.100 0.265 298 HB3 LEU 50 HB3 LEU 50 -6.881 -2.018 1.627 299 HG LEU 50 HG LEU 50 -5.749 -3.690 2.908 300 HD11 LEU 50 HD11 LEU 50 -4.493 -4.716 0.327 301 HD12 LEU 50 HD12 LEU 50 -5.562 -5.613 1.442 302 HD13 LEU 50 HD13 LEU 50 -3.965 -5.144 1.966 303 HD21 LEU 50 HD21 LEU 50 -3.460 -2.919 2.718 304 HD22 LEU 50 HD22 LEU 50 -4.549 -1.561 2.396 305 HD23 LEU 50 HD23 LEU 50 -3.718 -2.380 1.052 306 H SER 51 H SER 51 -6.759 -3.177 -1.709 307 HA SER 51 HA SER 51 -6.268 -5.993 -2.524 308 HB3 SER 51 HB3 SER 51 -8.397 -5.104 -3.493 309 HG SER 51 HG SER 51 -8.294 -3.327 -4.847 310 H SER 52 H SER 52 -4.989 -5.802 -4.757 311 HA SER 52 HA SER 52 -2.447 -4.676 -4.297 312 HB3 SER 52 HB3 SER 52 -2.836 -6.592 -5.696 313 HG SER 52 HG SER 52 -3.942 -6.491 -7.542 314 H SER 53 H SER 53 -5.252 -2.932 -4.985 315 HA SER 53 HA SER 53 -4.117 -0.867 -6.709 316 HB3 SER 53 HB3 SER 53 -6.383 0.095 -6.246 317 HG SER 53 HG SER 53 -6.549 -1.252 -7.962 318 H ASN 54 H ASN 54 -4.915 -1.286 -3.299 319 HA ASN 54 HA ASN 54 -4.417 1.456 -2.486 320 HB3 ASN 54 HB3 ASN 54 -4.184 0.450 -0.167 321 HD21 ASN 54 HD22 ASN 54 -5.993 1.795 0.210 322 HD22 ASN 54 HD21 ASN 54 -7.630 1.225 -0.161 323 H VAL 55 H VAL 55 -2.355 -1.497 -2.294 324 HA VAL 55 HA VAL 55 0.028 -0.230 -1.349 325 HB VAL 55 HB VAL 55 -0.378 -2.561 -1.098 326 HG11 VAL 55 HG11 VAL 55 -0.353 -4.151 -2.943 327 HG12 VAL 55 HG12 VAL 55 -1.787 -3.134 -2.877 328 HG13 VAL 55 HG13 VAL 55 -0.529 -2.782 -4.084 329 HG21 VAL 55 HG21 VAL 55 1.893 -2.345 -3.115 330 HG22 VAL 55 HG22 VAL 55 2.004 -1.754 -1.434 331 HG23 VAL 55 HG23 VAL 55 1.716 -3.466 -1.735 332 H ARG 56 H ARG 56 1.804 0.656 -2.493 333 HA ARG 56 HA ARG 56 1.811 0.357 -5.411 334 HB3 ARG 56 HB3 ARG 56 2.204 3.160 -4.275 335 HG3 ARG 56 HG3 ARG 56 2.936 2.439 -6.647 336 HD3 ARG 56 HD3 ARG 56 0.138 2.761 -7.599 337 HE ARG 56 HE ARG 56 2.469 1.378 -8.499 338 HH11 ARG 56 HH11 ARG 56 -1.050 0.806 -8.356 339 HH12 ARG 56 HH12 ARG 56 -1.124 -0.043 -9.847 340 HH21 ARG 56 HH22 ARG 56 2.451 -0.045 -10.194 341 HH22 ARG 56 HH21 ARG 56 0.966 -0.457 -11.010 342 H VAL 57 H VAL 57 3.700 -0.715 -5.640 343 HA VAL 57 HA VAL 57 6.084 0.143 -4.172 344 HB VAL 57 HB VAL 57 5.747 -1.786 -6.496 345 HG11 VAL 57 HG11 VAL 57 8.094 -1.100 -4.678 346 HG12 VAL 57 HG12 VAL 57 8.011 -2.583 -5.634 347 HG13 VAL 57 HG13 VAL 57 8.028 -1.013 -6.451 348 HG21 VAL 57 HG21 VAL 57 4.552 -2.604 -4.495 349 HG22 VAL 57 HG22 VAL 57 6.018 -3.551 -4.769 350 HG23 VAL 57 HG23 VAL 57 5.994 -2.311 -3.499 351 H ILE 58 H ILE 58 7.018 2.024 -4.721 352 HA ILE 58 HA ILE 58 6.997 3.002 -7.498 353 HB ILE 58 HB ILE 58 7.861 4.145 -4.840 354 HG13 ILE 58 HG13 ILE 58 6.313 5.629 -6.968 355 HG21 ILE 58 HG21 ILE 58 8.781 6.155 -5.962 356 HG22 ILE 58 HG22 ILE 58 9.746 4.705 -6.243 357 HG23 ILE 58 HG23 ILE 58 8.675 5.320 -7.520 358 HD11 ILE 58 HD11 ILE 58 4.204 5.127 -5.859 359 HD12 ILE 58 HD12 ILE 58 4.915 3.698 -6.631 360 HD13 ILE 58 HD13 ILE 58 5.009 3.902 -4.852 361 H LYS 59 H LYS 59 8.521 2.757 -8.843 362 HA LYS 59 HA LYS 59 10.874 1.097 -8.127 363 HB3 LYS 59 HB3 LYS 59 11.008 0.749 -10.600 364 HG3 LYS 59 HG3 LYS 59 8.333 0.141 -9.206 365 HD3 LYS 59 HD3 LYS 59 7.700 -0.172 -11.426 366 HE3 LYS 59 HE3 LYS 59 9.463 -2.014 -12.578 367 HZ1 LYS 59 HZ1 LYS 59 8.323 -0.012 -13.608 368 HZ2 LYS 59 HZ2 LYS 59 9.842 -0.342 -14.174 369 HZ3 LYS 59 HZ3 LYS 59 9.613 0.878 -13.128 370 H ASP 60 H ASP 60 12.909 1.694 -9.436 371 HA ASP 60 HA ASP 60 13.427 4.551 -9.117 372 HB3 ASP 60 HB3 ASP 60 15.236 2.349 -10.168 373 H LYS 61 H LYS 61 14.843 5.474 -11.052 374 HA LYS 61 HA LYS 61 13.306 5.265 -13.552 375 HB3 LYS 61 HB3 LYS 61 14.704 7.568 -12.183 376 HG3 LYS 61 HG3 LYS 61 14.312 7.963 -14.489 377 HD3 LYS 61 HD3 LYS 61 11.332 7.708 -13.831 378 HE3 LYS 61 HE3 LYS 61 10.911 8.201 -16.196 379 HZ1 LYS 61 HZ1 LYS 61 11.009 10.089 -14.647 380 HZ2 LYS 61 HZ2 LYS 61 11.390 10.483 -16.201 381 HZ3 LYS 61 HZ3 LYS 61 12.583 10.358 -15.073 382 H GLN 62 H GLN 62 16.464 5.028 -11.981 383 HA GLN 62 HA GLN 62 17.970 5.334 -14.479 384 HB3 GLN 62 HB3 GLN 62 19.876 5.023 -13.196 385 HG3 GLN 62 HG3 GLN 62 17.993 6.321 -11.181 386 HE21 GLN 62 HE22 GLN 62 19.314 8.473 -10.463 387 HE22 GLN 62 HE21 GLN 62 20.914 8.113 -9.827 388 H THR 63 H THR 63 16.357 2.926 -12.438 389 HA THR 63 HA THR 63 16.946 0.757 -14.352 390 HB THR 63 HB THR 63 17.524 -0.709 -12.447 391 HG1 THR 63 HG1 THR 63 17.989 1.370 -10.683 392 HG21 THR 63 HG21 THR 63 19.348 0.453 -13.621 393 HG22 THR 63 HG22 THR 63 19.732 0.092 -11.923 394 HG23 THR 63 HG23 THR 63 19.308 1.755 -12.406 395 H GLN 64 H GLN 64 15.729 -1.187 -13.673 396 HA GLN 64 HA GLN 64 12.933 -0.494 -13.107 397 HB3 GLN 64 HB3 GLN 64 12.510 -2.765 -14.186 398 HG3 GLN 64 HG3 GLN 64 13.169 -2.117 -16.474 399 HE21 GLN 64 HE22 GLN 64 13.367 1.159 -15.625 400 HE22 GLN 64 HE21 GLN 64 11.662 1.525 -15.525 401 H LEU 65 H LEU 65 14.231 -0.358 -10.835 402 HA LEU 65 HA LEU 65 13.847 -2.959 -9.399 403 HB3 LEU 65 HB3 LEU 65 15.796 -2.347 -8.036 404 HG LEU 65 HG LEU 65 16.526 -2.228 -10.993 405 HD11 LEU 65 HD11 LEU 65 18.767 -2.861 -10.264 406 HD12 LEU 65 HD12 LEU 65 18.243 -2.823 -8.561 407 HD13 LEU 65 HD13 LEU 65 18.255 -1.333 -9.518 408 HD21 LEU 65 HD21 LEU 65 16.386 -4.632 -9.120 409 HD22 LEU 65 HD22 LEU 65 17.089 -4.631 -10.745 410 HD23 LEU 65 HD23 LEU 65 15.361 -4.320 -10.526 411 H ASN 66 H ASN 66 13.573 -2.518 -7.010 412 HA ASN 66 HA ASN 66 11.567 -0.364 -6.759 413 HB3 ASN 66 HB3 ASN 66 11.073 -1.227 -4.565 414 HD21 ASN 66 HD22 ASN 66 11.753 -4.227 -4.268 415 HD22 ASN 66 HD21 ASN 66 10.828 -4.995 -5.523 416 H ARG 67 H ARG 67 11.595 1.271 -5.089 417 HA ARG 67 HA ARG 67 14.281 2.455 -5.036 418 HB3 ARG 67 HB3 ARG 67 12.482 4.415 -4.192 419 HG3 ARG 67 HG3 ARG 67 13.183 3.583 -7.006 420 HD3 ARG 67 HD3 ARG 67 11.694 5.577 -6.882 421 HE ARG 67 HE ARG 67 13.450 6.364 -4.720 422 HH11 ARG 67 HH11 ARG 67 11.576 7.790 -7.371 423 HH12 ARG 67 HH12 ARG 67 11.221 9.245 -6.533 424 HH21 ARG 67 HH22 ARG 67 13.009 8.320 -3.577 425 HH22 ARG 67 HH21 ARG 67 12.345 9.649 -4.472 426 H GLY 68 H GLY 68 13.752 0.358 -3.006 427 HA2 GLY 68 HA2 GLY 68 14.421 0.057 -0.833 428 HA3 GLY 68 HA3 GLY 68 14.775 1.775 -0.711 429 H PHE 69 H PHE 69 11.729 2.039 -1.721 430 HA PHE 69 HA PHE 69 10.403 1.583 0.851 431 HB3 PHE 69 HB3 PHE 69 11.470 3.990 0.483 432 HD1 PHE 69 HD1 PHE 69 11.643 4.588 -2.034 433 HD2 PHE 69 HD2 PHE 69 7.927 4.699 0.126 434 HE1 PHE 69 HE1 PHE 69 10.635 6.010 -3.823 435 HE2 PHE 69 HE2 PHE 69 6.961 6.147 -1.594 436 HZ PHE 69 HZ PHE 69 8.288 6.800 -3.600 437 H ALA 70 H ALA 70 7.974 2.083 0.551 438 HA ALA 70 HA ALA 70 6.959 2.220 -2.144 439 HB1 ALA 70 HB1 ALA 70 6.403 -0.269 -0.465 440 HB2 ALA 70 HB2 ALA 70 5.397 0.236 -1.832 441 HB3 ALA 70 HB3 ALA 70 7.104 -0.192 -2.081 442 H PHE 71 H PHE 71 4.456 2.434 -1.985 443 HA PHE 71 HA PHE 71 3.804 4.125 0.382 444 HB3 PHE 71 HB3 PHE 71 2.197 4.967 -1.682 445 HD1 PHE 71 HD1 PHE 71 3.283 6.228 0.746 446 HD2 PHE 71 HD2 PHE 71 4.645 6.409 -3.351 447 HE1 PHE 71 HE1 PHE 71 4.248 8.440 1.160 448 HE2 PHE 71 HE2 PHE 71 5.642 8.629 -2.909 449 HZ PHE 71 HZ PHE 71 5.447 9.663 -0.655 450 H ILE 72 H ILE 72 1.485 4.227 0.922 451 HA ILE 72 HA ILE 72 -0.261 2.139 -0.192 452 HB ILE 72 HB ILE 72 -0.095 2.516 2.806 453 HG13 ILE 72 HG13 ILE 72 2.118 1.899 2.394 454 HG21 ILE 72 HG21 ILE 72 -2.108 1.483 1.713 455 HG22 ILE 72 HG22 ILE 72 -1.074 0.220 1.030 456 HG23 ILE 72 HG23 ILE 72 -1.300 0.359 2.785 457 HD11 ILE 72 HD11 ILE 72 0.766 0.806 4.275 458 HD12 ILE 72 HD12 ILE 72 0.720 -0.627 3.264 459 HD13 ILE 72 HD13 ILE 72 2.277 0.012 3.807 460 H GLN 73 H GLN 73 -2.199 3.152 -0.651 461 HA GLN 73 HA GLN 73 -2.942 5.629 0.811 462 HB3 GLN 73 HB3 GLN 73 -4.281 4.260 -1.569 463 HG3 GLN 73 HG3 GLN 73 -4.917 6.911 -1.674 464 HE21 GLN 73 HE22 GLN 73 -7.131 7.033 -2.207 465 HE22 GLN 73 HE21 GLN 73 -8.288 5.832 -1.727 466 H LEU 74 H LEU 74 -4.666 5.592 2.267 467 HA LEU 74 HA LEU 74 -6.166 3.132 2.722 468 HB3 LEU 74 HB3 LEU 74 -5.113 4.190 5.257 469 HG LEU 74 HG LEU 74 -4.563 1.945 5.800 470 HD11 LEU 74 HD11 LEU 74 -7.171 1.785 4.230 471 HD12 LEU 74 HD12 LEU 74 -6.966 2.480 5.852 472 HD13 LEU 74 HD13 LEU 74 -6.655 0.768 5.585 473 HD21 LEU 74 HD21 LEU 74 -3.473 1.291 3.708 474 HD22 LEU 74 HD22 LEU 74 -5.054 1.138 2.912 475 HD23 LEU 74 HD23 LEU 74 -4.643 0.068 4.263 476 H SER 75 H SER 75 -7.201 4.242 5.326 477 HA SER 75 HA SER 75 -8.293 6.842 4.564 478 HB3 SER 75 HB3 SER 75 -10.149 4.831 5.803 479 HG SER 75 HG SER 75 -10.792 6.733 3.840 480 H THR 76 H THR 76 -9.519 7.666 6.623 481 HA THR 76 HA THR 76 -7.410 8.570 7.915 482 HB THR 76 HB THR 76 -9.580 8.982 9.748 483 HG1 THR 76 HG1 THR 76 -10.523 9.531 7.164 484 HG21 THR 76 HG21 THR 76 -9.507 11.252 8.914 485 HG22 THR 76 HG22 THR 76 -8.610 10.715 7.474 486 HG23 THR 76 HG23 THR 76 -7.859 10.605 9.078 487 H ILE 77 H ILE 77 -9.719 6.473 9.626 488 HA ILE 77 HA ILE 77 -7.918 6.135 11.917 489 HB ILE 77 HB ILE 77 -10.692 5.075 11.212 490 HG13 ILE 77 HG13 ILE 77 -10.453 7.551 11.665 491 HG21 ILE 77 HG21 ILE 77 -10.712 4.404 13.678 492 HG22 ILE 77 HG22 ILE 77 -9.711 3.419 12.619 493 HG23 ILE 77 HG23 ILE 77 -8.955 4.634 13.674 494 HD11 ILE 77 HD11 ILE 77 -12.175 7.836 13.279 495 HD12 ILE 77 HD12 ILE 77 -12.572 6.400 12.310 496 HD13 ILE 77 HD13 ILE 77 -11.927 6.221 13.960 497 H GLU 78 H GLU 78 -9.042 4.365 9.089 498 HA GLU 78 HA GLU 78 -8.200 1.764 9.834 499 HB3 GLU 78 HB3 GLU 78 -8.569 1.300 7.416 500 HG3 GLU 78 HG3 GLU 78 -10.640 3.188 8.588 501 H ALA 79 H ALA 79 -6.408 4.481 8.653 502 HA ALA 79 HA ALA 79 -4.048 2.981 7.796 503 HB1 ALA 79 HB1 ALA 79 -4.391 5.941 8.568 504 HB2 ALA 79 HB2 ALA 79 -2.964 5.204 7.811 505 HB3 ALA 79 HB3 ALA 79 -4.490 5.318 6.941 506 H ALA 80 H ALA 80 -4.849 5.100 10.546 507 HA ALA 80 HA ALA 80 -2.399 4.726 11.794 508 HB1 ALA 80 HB1 ALA 80 -5.022 5.692 13.028 509 HB2 ALA 80 HB2 ALA 80 -3.395 5.994 13.666 510 HB3 ALA 80 HB3 ALA 80 -3.870 6.701 12.113 511 H GLN 81 H GLN 81 -5.283 2.726 12.184 512 HA GLN 81 HA GLN 81 -4.265 1.466 14.679 513 HB3 GLN 81 HB3 GLN 81 -6.652 1.896 14.227 514 HG3 GLN 81 HG3 GLN 81 -6.518 -0.527 12.435 515 HE21 GLN 81 HE22 GLN 81 -8.803 -0.592 11.037 516 HE22 GLN 81 HE21 GLN 81 -10.165 -0.033 11.959 517 H LEU 82 H LEU 82 -4.310 0.886 11.216 518 HA LEU 82 HA LEU 82 -3.374 -1.787 11.278 519 HB3 LEU 82 HB3 LEU 82 -2.863 0.304 9.130 520 HG LEU 82 HG LEU 82 -1.911 -1.734 8.359 521 HD11 LEU 82 HD11 LEU 82 -3.206 -3.888 8.273 522 HD12 LEU 82 HD12 LEU 82 -4.412 -3.159 9.359 523 HD13 LEU 82 HD13 LEU 82 -2.737 -3.415 9.894 524 HD21 LEU 82 HD21 LEU 82 -3.482 -2.275 6.519 525 HD22 LEU 82 HD22 LEU 82 -3.448 -0.513 6.854 526 HD23 LEU 82 HD23 LEU 82 -4.801 -1.505 7.420 527 H LEU 83 H LEU 83 -1.694 1.324 11.514 528 HA LEU 83 HA LEU 83 0.940 0.593 11.154 529 HB3 LEU 83 HB3 LEU 83 -0.349 2.470 13.165 530 HG LEU 83 HG LEU 83 1.922 2.094 13.990 531 HD11 LEU 83 HD11 LEU 83 2.981 1.413 11.833 532 HD12 LEU 83 HD12 LEU 83 3.886 2.649 12.703 533 HD13 LEU 83 HD13 LEU 83 2.910 3.132 11.306 534 HD21 LEU 83 HD21 LEU 83 1.584 4.767 12.544 535 HD22 LEU 83 HD22 LEU 83 2.656 4.452 13.922 536 HD23 LEU 83 HD23 LEU 83 0.910 4.334 14.141 537 H GLN 84 H GLN 84 -1.092 0.056 14.083 538 HA GLN 84 HA GLN 84 1.095 -0.968 15.665 539 HB3 GLN 84 HB3 GLN 84 -0.967 -1.799 17.076 540 HG3 GLN 84 HG3 GLN 84 0.475 0.222 17.564 541 HE21 GLN 84 HE22 GLN 84 -2.819 1.338 16.661 542 HE22 GLN 84 HE21 GLN 84 -2.274 2.710 15.680 543 H ILE 85 H ILE 85 -1.163 -2.470 13.397 544 HA ILE 85 HA ILE 85 -0.676 -5.213 14.266 545 HB ILE 85 HB ILE 85 -1.850 -3.889 11.841 546 HG13 ILE 85 HG13 ILE 85 -3.001 -4.314 14.225 547 HG21 ILE 85 HG21 ILE 85 -2.406 -6.022 10.870 548 HG22 ILE 85 HG22 ILE 85 -0.666 -5.884 10.979 549 HG23 ILE 85 HG23 ILE 85 -1.535 -6.892 12.160 550 HD11 ILE 85 HD11 ILE 85 -4.302 -3.310 12.515 551 HD12 ILE 85 HD12 ILE 85 -4.333 -4.793 11.537 552 HD13 ILE 85 HD13 ILE 85 -5.207 -4.718 13.079 553 H LEU 86 H LEU 86 0.697 -3.047 11.788 554 HA LEU 86 HA LEU 86 2.399 -4.902 10.508 555 HB3 LEU 86 HB3 LEU 86 3.831 -2.718 10.158 556 HG LEU 86 HG LEU 86 2.536 -3.665 8.344 557 HD11 LEU 86 HD11 LEU 86 0.229 -2.993 7.880 558 HD12 LEU 86 HD12 LEU 86 0.181 -2.042 9.339 559 HD13 LEU 86 HD13 LEU 86 0.247 -3.815 9.441 560 HD21 LEU 86 HD21 LEU 86 3.602 -1.440 8.144 561 HD22 LEU 86 HD22 LEU 86 2.144 -0.671 8.784 562 HD23 LEU 86 HD23 LEU 86 2.109 -1.475 7.208 563 H GLN 87 H GLN 87 2.942 -3.047 13.390 564 HA GLN 87 HA GLN 87 5.725 -3.364 13.813 565 HB3 GLN 87 HB3 GLN 87 4.788 -2.900 16.271 566 HG3 GLN 87 HG3 GLN 87 4.035 -0.557 15.575 567 HE21 GLN 87 HE22 GLN 87 5.864 1.081 14.585 568 HE22 GLN 87 HE21 GLN 87 7.497 0.646 15.032 569 H ALA 88 H ALA 88 3.403 -5.832 13.908 570 HA ALA 88 HA ALA 88 4.953 -7.395 15.932 571 HB1 ALA 88 HB1 ALA 88 2.799 -8.036 16.947 572 HB2 ALA 88 HB2 ALA 88 3.014 -6.281 16.970 573 HB3 ALA 88 HB3 ALA 88 1.935 -7.020 15.764 574 H LEU 89 H LEU 89 4.782 -7.586 12.866 575 HA LEU 89 HA LEU 89 4.319 -10.526 12.878 576 HB3 LEU 89 HB3 LEU 89 2.235 -9.550 12.158 577 HG LEU 89 HG LEU 89 3.559 -7.553 10.878 578 HD11 LEU 89 HD11 LEU 89 2.926 -9.556 8.686 579 HD12 LEU 89 HD12 LEU 89 4.523 -8.857 9.079 580 HD13 LEU 89 HD13 LEU 89 3.252 -7.821 8.443 581 HD21 LEU 89 HD21 LEU 89 1.126 -7.693 11.412 582 HD22 LEU 89 HD22 LEU 89 0.886 -8.660 9.936 583 HD23 LEU 89 HD23 LEU 89 1.472 -6.980 9.841 584 H HIS 90 H HIS 90 5.027 -11.589 10.837 585 HA HIS 90 HA HIS 90 7.159 -10.432 9.278 586 HB3 HIS 90 HB3 HIS 90 8.698 -12.424 10.224 587 HD1 HIS 90 HD1 HIS 90 8.983 -10.316 13.150 588 HD2 HIS 90 HD2 HIS 90 9.763 -10.054 9.027 589 HE1 HIS 90 HE1 HIS 90 10.585 -8.345 12.851 590 HA PRO 91 HA PRO 91 5.202 -14.156 7.200 591 HB3 PRO 91 HB3 PRO 91 4.007 -12.750 5.768 592 HG3 PRO 91 HG3 PRO 91 4.910 -10.632 5.093 593 HD3 PRO 91 HD3 PRO 91 4.731 -10.614 7.460 594 HA PRO 92 HA PRO 92 9.256 -15.710 5.847 595 HB3 PRO 92 HB3 PRO 92 8.258 -17.773 5.451 596 HG3 PRO 92 HG3 PRO 92 6.100 -17.918 4.396 597 HD3 PRO 92 HD3 PRO 92 5.952 -16.580 6.350 598 H LEU 93 H LEU 93 7.294 -13.800 3.856 599 HA LEU 93 HA LEU 93 8.787 -13.782 1.427 600 HB3 LEU 93 HB3 LEU 93 7.048 -11.488 2.078 601 HG LEU 93 HG LEU 93 5.890 -11.991 0.063 602 HD11 LEU 93 HD11 LEU 93 8.664 -12.880 -0.707 603 HD12 LEU 93 HD12 LEU 93 8.363 -11.232 -0.147 604 HD13 LEU 93 HD13 LEU 93 7.539 -11.874 -1.612 605 HD21 LEU 93 HD21 LEU 93 5.581 -14.396 0.497 606 HD22 LEU 93 HD22 LEU 93 7.256 -14.711 0.024 607 HD23 LEU 93 HD23 LEU 93 6.090 -14.080 -1.163 608 H THR 94 H THR 94 10.960 -13.361 2.038 609 HA THR 94 HA THR 94 11.785 -10.640 2.786 610 HB THR 94 HB THR 94 12.153 -13.097 4.413 611 HG1 THR 94 HG1 THR 94 10.237 -11.436 4.493 612 HG21 THR 94 HG21 THR 94 14.250 -11.843 4.616 613 HG22 THR 94 HG22 THR 94 13.338 -11.742 6.118 614 HG23 THR 94 HG23 THR 94 13.339 -10.368 5.005 615 H ILE 95 H ILE 95 12.551 -10.772 0.845 616 HA ILE 95 HA ILE 95 14.426 -12.721 -0.207 617 HB ILE 95 HB ILE 95 12.982 -11.209 -1.638 618 HG13 ILE 95 HG13 ILE 95 15.940 -10.989 -2.285 619 HG21 ILE 95 HG21 ILE 95 14.982 -9.023 -1.031 620 HG22 ILE 95 HG22 ILE 95 13.626 -8.949 -2.169 621 HG23 ILE 95 HG23 ILE 95 13.315 -9.062 -0.423 622 HD11 ILE 95 HD11 ILE 95 13.866 -13.155 -2.807 623 HD12 ILE 95 HD12 ILE 95 15.379 -13.004 -3.718 624 HD13 ILE 95 HD13 ILE 95 15.444 -13.343 -1.996 625 H ASP 96 H ASP 96 16.715 -12.702 -0.044 626 HA ASP 96 HA ASP 96 18.749 -12.199 0.780 627 HB3 ASP 96 HB3 ASP 96 18.278 -9.351 0.032 628 H GLY 97 H GLY 97 16.828 -12.154 2.902 629 HA2 GLY 97 HA2 GLY 97 16.652 -11.601 5.106 630 HA3 GLY 97 HA3 GLY 97 18.266 -10.912 5.001 631 H LYS 98 H LYS 98 15.476 -9.662 3.080 632 HA LYS 98 HA LYS 98 15.658 -7.127 4.655 633 HB3 LYS 98 HB3 LYS 98 14.607 -6.136 2.556 634 HG3 LYS 98 HG3 LYS 98 16.828 -6.413 1.264 635 HD3 LYS 98 HD3 LYS 98 18.180 -5.491 3.434 636 HE3 LYS 98 HE3 LYS 98 16.686 -3.282 2.914 637 HZ1 LYS 98 HZ1 LYS 98 18.725 -4.452 1.119 638 HZ2 LYS 98 HZ2 LYS 98 18.949 -3.337 2.347 639 HZ3 LYS 98 HZ3 LYS 98 18.188 -2.926 0.970 640 H THR 99 H THR 99 14.330 -7.524 6.265 641 HA THR 99 HA THR 99 11.545 -8.392 5.906 642 HB THR 99 HB THR 99 11.317 -7.574 8.281 643 HG1 THR 99 HG1 THR 99 14.141 -7.358 8.208 644 HG21 THR 99 HG21 THR 99 13.575 -9.555 7.709 645 HG22 THR 99 HG22 THR 99 11.841 -9.908 7.767 646 HG23 THR 99 HG23 THR 99 12.690 -9.405 9.237 647 H ILE 100 H ILE 100 9.722 -6.931 6.174 648 HA ILE 100 HA ILE 100 10.191 -4.353 4.817 649 HB ILE 100 HB ILE 100 7.623 -5.512 5.961 650 HG13 ILE 100 HG13 ILE 100 7.072 -6.286 3.674 651 HG21 ILE 100 HG21 ILE 100 8.063 -3.372 3.835 652 HG22 ILE 100 HG22 ILE 100 6.492 -4.010 4.388 653 HG23 ILE 100 HG23 ILE 100 7.529 -3.105 5.490 654 HD11 ILE 100 HD11 ILE 100 8.459 -4.949 2.229 655 HD12 ILE 100 HD12 ILE 100 9.968 -5.562 2.983 656 HD13 ILE 100 HD13 ILE 100 8.925 -6.631 2.029 657 H ASN 101 H ASN 101 10.345 -2.437 5.840 658 HA ASN 101 HA ASN 101 10.164 -2.401 8.808 659 HB3 ASN 101 HB3 ASN 101 11.109 -0.003 8.319 660 HD21 ASN 101 HD22 ASN 101 12.889 0.166 9.525 661 HD22 ASN 101 HD21 ASN 101 13.722 -1.240 10.150 662 H VAL 102 H VAL 102 9.016 -0.613 9.860 663 HA VAL 102 HA VAL 102 6.552 0.154 8.368 664 HB VAL 102 HB VAL 102 5.901 -1.640 9.667 665 HG11 VAL 102 HG11 VAL 102 7.795 -2.040 11.119 666 HG12 VAL 102 HG12 VAL 102 7.416 -0.583 12.078 667 HG13 VAL 102 HG13 VAL 102 6.305 -1.986 12.051 668 HG21 VAL 102 HG21 VAL 102 5.293 0.778 11.400 669 HG22 VAL 102 HG22 VAL 102 4.415 0.296 9.923 670 HG23 VAL 102 HG23 VAL 102 4.395 -0.735 11.361 671 H GLU 103 H GLU 103 5.725 2.181 8.655 672 HA GLU 103 HA GLU 103 6.317 3.900 10.784 673 HB3 GLU 103 HB3 GLU 103 7.467 4.785 8.086 674 HG3 GLU 103 HG3 GLU 103 7.016 6.698 9.525 675 H PHE 104 H PHE 104 5.384 6.296 9.620 676 HA PHE 104 HA PHE 104 2.910 5.634 8.131 677 HB3 PHE 104 HB3 PHE 104 3.060 7.682 10.366 678 HD1 PHE 104 HD1 PHE 104 0.971 4.559 9.832 679 HD2 PHE 104 HD2 PHE 104 1.001 8.868 10.147 680 HE1 PHE 104 HE1 PHE 104 -1.415 4.558 9.763 681 HE2 PHE 104 HE2 PHE 104 -1.515 8.817 10.200 682 HZ PHE 104 HZ PHE 104 -2.710 6.709 10.011 683 H ALA 105 H ALA 105 2.310 7.483 6.643 684 HA ALA 105 HA ALA 105 4.272 9.684 6.421 685 HB1 ALA 105 HB1 ALA 105 3.660 7.702 4.189 686 HB2 ALA 105 HB2 ALA 105 4.600 9.202 4.026 687 HB3 ALA 105 HB3 ALA 105 5.222 7.904 5.051 688 H LYS 106 H LYS 106 1.986 10.231 7.419 689 HA LYS 106 HA LYS 106 -0.109 10.485 5.383 690 HB3 LYS 106 HB3 LYS 106 -0.464 9.508 7.553 691 HG3 LYS 106 HG3 LYS 106 0.722 10.926 9.140 692 HD3 LYS 106 HD3 LYS 106 -1.243 12.980 8.161 693 HE3 LYS 106 HE3 LYS 106 -0.337 12.727 10.990 694 HZ1 LYS 106 HZ1 LYS 106 -0.277 15.101 9.332 695 HZ2 LYS 106 HZ2 LYS 106 0.535 14.744 10.716 696 HZ3 LYS 106 HZ3 LYS 106 -1.018 15.244 10.809 697 H GLY 107 H GLY 107 -1.493 12.636 5.866 698 HA2 GLY 107 HA2 GLY 107 0.182 14.767 4.752 699 HA3 GLY 107 HA3 GLY 107 -1.572 14.593 4.673 700 H SER 108 H SER 108 -2.316 16.471 5.563 701 HA SER 108 HA SER 108 -1.440 17.640 8.038 702 HB3 SER 108 HB3 SER 108 -3.704 18.698 7.969 703 HG SER 108 HG SER 108 -3.278 19.799 6.117 704 H LYS 109 H LYS 109 -3.032 17.656 10.038 705 HA LYS 109 HA LYS 109 -3.828 14.815 10.605 706 HB3 LYS 109 HB3 LYS 109 -2.150 15.479 12.223 707 HG3 LYS 109 HG3 LYS 109 -3.813 17.999 12.560 708 HD3 LYS 109 HD3 LYS 109 -2.383 18.381 14.628 709 HE3 LYS 109 HE3 LYS 109 -3.760 17.033 16.181 710 HZ1 LYS 109 HZ1 LYS 109 -5.456 18.195 14.041 711 HZ2 LYS 109 HZ2 LYS 109 -4.622 19.081 15.092 712 HZ3 LYS 109 HZ3 LYS 109 -5.778 18.071 15.666 713 H ARG 110 H ARG 110 -5.747 14.513 11.865 714 HA ARG 110 HA ARG 110 -7.551 16.780 12.229 715 HB3 ARG 110 HB3 ARG 110 -9.361 14.813 11.449 716 HG3 ARG 110 HG3 ARG 110 -9.387 16.017 9.195 717 HD3 ARG 110 HD3 ARG 110 -9.475 17.860 11.620 718 HE ARG 110 HE ARG 110 -10.188 18.281 8.926 719 HH11 ARG 110 HH11 ARG 110 -12.012 18.495 12.048 720 HH12 ARG 110 HH12 ARG 110 -12.694 20.015 11.622 721 HH21 ARG 110 HH22 ARG 110 -11.536 20.124 8.313 722 HH22 ARG 110 HH21 ARG 110 -12.622 20.758 9.462 723 H ASP 111 H ASP 111 -9.646 15.361 13.471 724 HA ASP 111 HA ASP 111 -8.470 13.777 15.642 725 HB3 ASP 111 HB3 ASP 111 -9.651 16.574 15.955 726 H MET 112 H MET 112 -9.992 12.118 15.790 727 HA MET 112 HA MET 112 -12.786 12.695 16.122 728 HB3 MET 112 HB3 MET 112 -12.129 10.919 13.749 729 HG3 MET 112 HG3 MET 112 -14.589 12.566 14.436 730 HE1 MET 112 HE1 MET 112 -16.856 11.927 13.488 731 HE2 MET 112 HE2 MET 112 -17.170 10.482 12.488 732 HE3 MET 112 HE3 MET 112 -16.576 10.313 14.157 733 H ALA 113 H ALA 113 -13.792 10.802 17.053 734 HA ALA 113 HA ALA 113 -12.451 8.210 16.851 735 HB1 ALA 113 HB1 ALA 113 -12.711 7.783 19.274 736 HB2 ALA 113 HB2 ALA 113 -11.577 9.121 18.986 737 HB3 ALA 113 HB3 ALA 113 -13.237 9.459 19.534 738 H SER 114 H SER 114 -14.188 6.890 16.047 739 HA SER 114 HA SER 114 -16.532 6.540 17.525 740 HB3 SER 114 HB3 SER 114 -17.872 7.096 15.353 741 HG SER 114 HG SER 114 -16.907 8.985 17.225 742 H ASN 115 H ASN 115 -16.383 4.345 17.381 743 HA ASN 115 HA ASN 115 -17.366 3.187 14.977 744 HB3 ASN 115 HB3 ASN 115 -14.777 1.948 16.014 745 HD21 ASN 115 HD22 ASN 115 -15.019 2.092 12.651 746 HD22 ASN 115 HD21 ASN 115 -15.756 0.544 12.338 747 H GLU 116 H GLU 116 -18.520 1.211 15.693 748 HA GLU 116 HA GLU 116 -17.654 -0.161 17.975 749 HB3 GLU 116 HB3 GLU 116 -20.477 0.926 18.286 750 HG3 GLU 116 HG3 GLU 116 -19.775 -1.213 19.544 751 H GLY 117 H GLY 117 -18.601 -2.306 17.959 752 HA2 GLY 117 HA2 GLY 117 -20.313 -3.819 17.288 753 HA3 GLY 117 HA3 GLY 117 -20.693 -2.800 15.901 754 H SER 118 H SER 118 -18.811 -5.437 17.051 755 HA SER 118 HA SER 118 -18.165 -6.110 14.299 756 HB3 SER 118 HB3 SER 118 -16.009 -6.273 16.455 757 HG SER 118 HG SER 118 -14.779 -6.989 14.830 758 H ARG 119 H ARG 119 -19.093 -8.195 14.137 759 HA ARG 119 HA ARG 119 -18.769 -9.949 16.401 760 HB3 ARG 119 HB3 ARG 119 -21.619 -9.294 15.533 761 HG3 ARG 119 HG3 ARG 119 -21.623 -11.581 16.311 762 HD3 ARG 119 HD3 ARG 119 -19.595 -10.584 18.334 763 HE ARG 119 HE ARG 119 -20.552 -13.273 18.787 764 HH11 ARG 119 HH11 ARG 119 -21.235 -9.898 19.783 765 HH12 ARG 119 HH12 ARG 119 -21.238 -10.227 21.454 766 HH21 ARG 119 HH22 ARG 119 -20.663 -13.750 20.949 767 HH22 ARG 119 HH21 ARG 119 -21.140 -12.560 22.146 768 H ILE 120 H ILE 120 -17.568 -11.215 15.151 769 HA ILE 120 HA ILE 120 -18.574 -12.935 13.099 770 HB ILE 120 HB ILE 120 -16.290 -12.879 13.527 771 HG13 ILE 120 HG13 ILE 120 -17.734 -15.253 13.646 772 HG21 ILE 120 HG21 ILE 120 -16.174 -12.132 15.912 773 HG22 ILE 120 HG22 ILE 120 -16.796 -13.693 16.433 774 HG23 ILE 120 HG23 ILE 120 -15.187 -13.562 15.668 775 HD11 ILE 120 HD11 ILE 120 -15.747 -16.332 12.739 776 HD12 ILE 120 HD12 ILE 120 -15.894 -14.713 12.034 777 HD13 ILE 120 HD13 ILE 120 -14.711 -15.012 13.328 778 H SER 121 H SER 121 -20.138 -14.387 13.227 779 HA SER 121 HA SER 121 -20.170 -16.253 15.452 780 HB3 SER 121 HB3 SER 121 -22.760 -15.984 15.690 781 HG SER 121 HG SER 121 -20.691 -14.420 16.736 782 H ALA 122 H ALA 122 -19.233 -17.245 13.454 783 HA ALA 122 HA ALA 122 -21.276 -18.975 12.329 784 HB1 ALA 122 HB1 ALA 122 -19.211 -17.551 10.569 785 HB2 ALA 122 HB2 ALA 122 -20.285 -18.866 10.050 786 HB3 ALA 122 HB3 ALA 122 -20.972 -17.297 10.512 787 H ALA 123 H ALA 123 -20.196 -21.058 11.688 788 HA ALA 123 HA ALA 123 -17.337 -21.310 12.332 789 HB1 ALA 123 HB1 ALA 123 -18.335 -21.771 14.499 790 HB2 ALA 123 HB2 ALA 123 -19.460 -22.947 13.790 791 HB3 ALA 123 HB3 ALA 123 -17.708 -23.271 13.801 792 H SER 124 H SER 124 -19.727 -24.010 12.024 793 HA SER 124 HA SER 124 -19.483 -24.236 9.187 794 HB3 SER 124 HB3 SER 124 -18.175 -26.410 10.887 795 HG SER 124 HG SER 124 -17.572 -26.132 8.203 796 H VAL 125 H VAL 125 -20.780 -26.186 8.514 797 HA VAL 125 HA VAL 125 -22.625 -27.267 10.525 798 HB VAL 125 HB VAL 125 -23.606 -25.698 8.095 799 HG11 VAL 125 HG11 VAL 125 -25.151 -27.139 10.310 800 HG12 VAL 125 HG12 VAL 125 -25.866 -26.159 9.012 801 HG13 VAL 125 HG13 VAL 125 -25.034 -27.662 8.614 802 HG21 VAL 125 HG21 VAL 125 -24.717 -24.205 9.756 803 HG22 VAL 125 HG22 VAL 125 -23.830 -25.028 11.058 804 HG23 VAL 125 HG23 VAL 125 -22.961 -24.102 9.816 805 H ALA 126 H ALA 126 -21.879 -29.329 10.135 806 HA ALA 126 HA ALA 126 -22.305 -30.463 7.428 807 HB1 ALA 126 HB1 ALA 126 -19.891 -30.010 7.625 808 HB2 ALA 126 HB2 ALA 126 -19.832 -30.923 9.154 809 HB3 ALA 126 HB3 ALA 126 -20.224 -31.753 7.633 810 H SER 127 H SER 127 -24.316 -30.622 9.098 811 HA SER 127 HA SER 127 -24.097 -32.592 11.164 812 HB3 SER 127 HB3 SER 127 -25.572 -30.945 11.707 813 HG SER 127 HG SER 127 -27.096 -30.084 10.129 814 H THR 128 H THR 128 -23.963 -33.346 7.956 815 HA THR 128 HA THR 128 -25.126 -35.923 8.451 816 HB THR 128 HB THR 128 -27.077 -34.613 7.639 817 HG1 THR 128 HG1 THR 128 -26.405 -36.500 5.645 818 HG21 THR 128 HG21 THR 128 -25.970 -33.031 6.101 819 HG22 THR 128 HG22 THR 128 -27.278 -33.925 5.311 820 HG23 THR 128 HG23 THR 128 -25.586 -34.366 4.992 821 H ALA 129 H ALA 129 -24.621 -37.336 6.541 822 HA ALA 129 HA ALA 129 -22.533 -36.443 4.718 823 HB1 ALA 129 HB1 ALA 129 -21.295 -37.579 6.570 824 HB2 ALA 129 HB2 ALA 129 -22.327 -39.016 6.364 825 HB3 ALA 129 HB3 ALA 129 -21.223 -38.515 5.068 826 H ILE 130 H ILE 130 -22.322 -38.776 3.293 827 HA ILE 130 HA ILE 130 -24.824 -40.145 3.015 828 HB ILE 130 HB ILE 130 -24.819 -40.037 0.556 829 HG13 ILE 130 HG13 ILE 130 -22.406 -39.359 0.275 830 HG21 ILE 130 HG21 ILE 130 -25.131 -37.243 1.721 831 HG22 ILE 130 HG22 ILE 130 -25.976 -37.940 0.321 832 HG23 ILE 130 HG23 ILE 130 -26.296 -38.564 1.940 833 HD11 ILE 130 HD11 ILE 130 -23.988 -39.213 -1.639 834 HD12 ILE 130 HD12 ILE 130 -24.309 -37.512 -1.212 835 HD13 ILE 130 HD13 ILE 130 -22.681 -38.014 -1.699 836 H ALA 131 H ALA 131 -24.188 -41.992 1.184 837 HA ALA 131 HA ALA 131 -21.443 -42.605 0.993 838 HB1 ALA 131 HB1 ALA 131 -23.422 -44.629 2.154 839 HB2 ALA 131 HB2 ALA 131 -21.785 -44.986 1.572 840 HB3 ALA 131 HB3 ALA 131 -22.001 -43.962 3.013
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