NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
601182 | 2n5d | 25706 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 21.153 -3.560 -16.557 2 H2 GLY 1 H2 GLY 1 22.767 -3.557 -16.279 3 H3 GLY 1 H3 GLY 1 21.926 -2.150 -16.228 4 HA2 GLY 1 HA2 GLY 1 20.659 -2.914 -14.326 5 HA3 GLY 1 HA3 GLY 1 21.618 -4.405 -14.359 6 HA PRO 2 HA PRO 2 23.532 -0.994 -11.737 7 HB2 PRO 2 HB2 PRO 2 23.210 -1.964 -9.229 8 HB3 PRO 2 HB3 PRO 2 21.893 -1.127 -10.113 9 HG2 PRO 2 HG2 PRO 2 22.357 -4.124 -9.864 10 HG3 PRO 2 HG3 PRO 2 20.841 -3.218 -9.588 11 HD2 PRO 2 HD2 PRO 2 21.372 -4.455 -11.963 12 HD3 PRO 2 HD3 PRO 2 20.495 -2.895 -11.888 13 H GLY 3 H GLY 3 25.617 -0.873 -11.159 14 HA2 GLY 3 HA2 GLY 3 27.811 -1.406 -10.716 15 HA3 GLY 3 HA3 GLY 3 27.183 -2.794 -9.840 16 H SER 4 H SER 4 29.310 -3.629 -10.560 17 HA SER 4 HA SER 4 29.656 -4.523 -13.298 18 HB2 SER 4 HB2 SER 4 31.009 -5.457 -10.748 19 HB3 SER 4 HB3 SER 4 31.563 -5.765 -12.406 20 HG SER 4 HG SER 4 32.649 -3.975 -11.460 21 H TYR 5 H TYR 5 27.865 -5.781 -10.616 22 HA TYR 5 HA TYR 5 27.947 -8.579 -11.426 23 HB2 TYR 5 HB2 TYR 5 26.405 -8.895 -9.546 24 HB3 TYR 5 HB3 TYR 5 27.906 -8.114 -9.105 25 HD1 TYR 5 HD2 TYR 5 27.977 -5.763 -8.374 26 HD2 TYR 5 HD1 TYR 5 24.256 -7.707 -9.395 27 HE1 TYR 5 HE2 TYR 5 26.702 -3.913 -7.281 28 HE2 TYR 5 HE1 TYR 5 22.997 -5.889 -8.258 29 HH TYR 5 HH TYR 5 23.118 -3.930 -7.081 30 H THR 6 H THR 6 25.633 -5.911 -11.724 31 HA THR 6 HA THR 6 23.642 -5.658 -12.715 32 HB THR 6 HB THR 6 25.311 -5.527 -14.484 33 HG1 THR 6 HG1 THR 6 23.787 -5.646 -16.171 34 HG21 THR 6 HG21 THR 6 25.251 -7.211 -16.333 35 HG22 THR 6 HG22 THR 6 24.419 -8.343 -15.236 36 HG23 THR 6 HG23 THR 6 26.067 -7.768 -14.871 37 H GLY 7 H GLY 7 22.192 -7.238 -14.635 38 HA2 GLY 7 HA2 GLY 7 20.638 -8.911 -14.819 39 HA3 GLY 7 HA3 GLY 7 21.583 -9.854 -13.658 40 H ALA 8 H ALA 8 20.320 -6.778 -12.556 41 HA ALA 8 HA ALA 8 18.853 -7.997 -10.435 42 HB1 ALA 8 HB1 ALA 8 20.004 -5.838 -10.261 43 HB2 ALA 8 HB2 ALA 8 18.850 -5.133 -11.437 44 HB3 ALA 8 HB3 ALA 8 18.291 -5.678 -9.841 45 H GLY 9 H GLY 9 17.784 -7.032 -13.634 46 HA2 GLY 9 HA2 GLY 9 15.799 -7.402 -14.747 47 HA3 GLY 9 HA3 GLY 9 15.366 -8.501 -13.440 48 H GLU 10 H GLU 10 13.244 -7.983 -13.340 49 HA GLU 10 HA GLU 10 12.429 -5.233 -12.482 50 HB2 GLU 10 HB2 GLU 10 10.897 -7.337 -14.058 51 HB3 GLU 10 HB3 GLU 10 10.159 -5.893 -13.374 52 HG2 GLU 10 HG2 GLU 10 11.679 -4.464 -14.719 53 HG3 GLU 10 HG3 GLU 10 12.408 -5.907 -15.438 54 HA PRO 11 HA PRO 11 11.182 -7.030 -8.621 55 HB2 PRO 11 HB2 PRO 11 8.962 -5.557 -7.909 56 HB3 PRO 11 HB3 PRO 11 10.643 -4.919 -7.874 57 HG2 PRO 11 HG2 PRO 11 8.577 -4.619 -10.083 58 HG3 PRO 11 HG3 PRO 11 9.564 -3.331 -9.312 59 HD2 PRO 11 HD2 PRO 11 10.294 -4.446 -11.670 60 HD3 PRO 11 HD3 PRO 11 11.536 -4.085 -10.424 61 H SER 12 H SER 12 9.937 -8.671 -7.840 62 HA SER 12 HA SER 12 7.888 -9.806 -9.690 63 HB2 SER 12 HB2 SER 12 9.902 -11.138 -9.308 64 HB3 SER 12 HB3 SER 12 9.590 -11.140 -7.557 65 HG SER 12 HG SER 12 8.836 -13.021 -8.825 66 H GLN 13 H GLN 13 6.007 -10.795 -8.896 67 HA GLN 13 HA GLN 13 4.631 -9.748 -6.616 68 HB2 GLN 13 HB2 GLN 13 3.053 -11.557 -6.963 69 HB3 GLN 13 HB3 GLN 13 3.454 -10.764 -8.487 70 HG2 GLN 13 HG2 GLN 13 5.029 -12.643 -9.030 71 HG3 GLN 13 HG3 GLN 13 4.567 -13.433 -7.519 72 HE21 GLN 13 HE21 GLN 13 4.205 -15.069 -9.528 73 HE22 GLN 13 HE22 GLN 13 2.529 -15.108 -10.060 74 H ALA 14 H ALA 14 7.039 -12.323 -6.921 75 HA ALA 14 HA ALA 14 6.522 -13.588 -4.386 76 HB1 ALA 14 HB1 ALA 14 9.064 -13.465 -6.078 77 HB2 ALA 14 HB2 ALA 14 8.710 -14.628 -4.786 78 HB3 ALA 14 HB3 ALA 14 7.739 -14.641 -6.267 79 H ASP 15 H ASP 15 8.142 -10.593 -5.204 80 HA ASP 15 HA ASP 15 9.438 -10.343 -2.557 81 HB2 ASP 15 HB2 ASP 15 9.248 -8.211 -4.694 82 HB3 ASP 15 HB3 ASP 15 10.383 -8.316 -3.350 83 H LEU 16 H LEU 16 6.830 -8.968 -4.422 84 HA LEU 16 HA LEU 16 6.057 -6.971 -2.483 85 HB2 LEU 16 HB2 LEU 16 4.675 -8.095 -4.956 86 HB3 LEU 16 HB3 LEU 16 4.055 -6.730 -4.029 87 HG LEU 16 HG LEU 16 6.847 -6.685 -5.229 88 HD11 LEU 16 HD11 LEU 16 5.891 -5.375 -7.084 89 HD12 LEU 16 HD12 LEU 16 4.261 -5.658 -6.475 90 HD13 LEU 16 HD13 LEU 16 5.247 -7.021 -7.064 91 HD21 LEU 16 HD21 LEU 16 6.523 -4.234 -5.056 92 HD22 LEU 16 HD22 LEU 16 6.396 -5.006 -3.473 93 HD23 LEU 16 HD23 LEU 16 4.920 -4.509 -4.340 94 H ASP 17 H ASP 17 4.559 -10.138 -3.367 95 HA ASP 17 HA ASP 17 2.290 -9.842 -1.679 96 HB2 ASP 17 HB2 ASP 17 2.620 -11.444 -3.590 97 HB3 ASP 17 HB3 ASP 17 3.681 -12.420 -2.556 98 H ALA 18 H ALA 18 5.532 -11.085 -0.986 99 HA ALA 18 HA ALA 18 5.034 -12.178 1.631 100 HB1 ALA 18 HB1 ALA 18 7.493 -12.056 1.816 101 HB2 ALA 18 HB2 ALA 18 6.999 -12.722 0.247 102 HB3 ALA 18 HB3 ALA 18 7.557 -11.033 0.360 103 H LEU 19 H LEU 19 5.934 -8.936 0.503 104 HA LEU 19 HA LEU 19 6.273 -7.803 3.161 105 HB2 LEU 19 HB2 LEU 19 7.611 -7.147 1.282 106 HB3 LEU 19 HB3 LEU 19 6.214 -6.625 0.355 107 HG LEU 19 HG LEU 19 6.852 -5.309 3.026 108 HD11 LEU 19 HD11 LEU 19 8.048 -4.612 0.311 109 HD12 LEU 19 HD12 LEU 19 8.927 -5.264 1.710 110 HD13 LEU 19 HD13 LEU 19 8.209 -3.646 1.799 111 HD21 LEU 19 HD21 LEU 19 5.898 -3.319 1.776 112 HD22 LEU 19 HD22 LEU 19 4.724 -4.613 2.041 113 HD23 LEU 19 HD23 LEU 19 5.477 -4.398 0.447 114 H LEU 20 H LEU 20 3.736 -7.666 0.657 115 HA LEU 20 HA LEU 20 2.000 -5.822 1.948 116 HB2 LEU 20 HB2 LEU 20 1.574 -7.964 -0.093 117 HB3 LEU 20 HB3 LEU 20 0.293 -6.846 0.354 118 HG LEU 20 HG LEU 20 2.979 -5.826 -0.691 119 HD11 LEU 20 HD11 LEU 20 0.438 -6.379 -2.275 120 HD12 LEU 20 HD12 LEU 20 1.973 -7.277 -2.415 121 HD13 LEU 20 HD13 LEU 20 1.901 -5.574 -2.880 122 HD21 LEU 20 HD21 LEU 20 1.558 -4.182 0.512 123 HD22 LEU 20 HD22 LEU 20 0.224 -4.563 -0.601 124 HD23 LEU 20 HD23 LEU 20 1.714 -3.816 -1.210 125 H SER 21 H SER 21 2.089 -9.422 2.207 126 HA SER 21 HA SER 21 -0.251 -9.673 3.849 127 HB2 SER 21 HB2 SER 21 2.301 -11.315 3.664 128 HB3 SER 21 HB3 SER 21 0.964 -11.722 4.762 129 HG SER 21 HG SER 21 0.772 -12.788 2.758 130 H ALA 22 H ALA 22 3.097 -8.754 4.722 131 HA ALA 22 HA ALA 22 2.626 -9.011 7.564 132 HB1 ALA 22 HB1 ALA 22 4.826 -8.034 7.773 133 HB2 ALA 22 HB2 ALA 22 4.861 -9.196 6.449 134 HB3 ALA 22 HB3 ALA 22 4.792 -7.454 6.083 135 H VAL 23 H VAL 23 2.179 -6.318 5.229 136 HA VAL 23 HA VAL 23 1.554 -4.470 7.462 137 HB VAL 23 HB VAL 23 2.792 -3.542 5.684 138 HG11 VAL 23 HG11 VAL 23 0.538 -4.241 3.802 139 HG12 VAL 23 HG12 VAL 23 1.997 -3.273 3.437 140 HG13 VAL 23 HG13 VAL 23 2.169 -4.961 3.873 141 HG21 VAL 23 HG21 VAL 23 1.531 -1.563 5.183 142 HG22 VAL 23 HG22 VAL 23 -0.011 -2.402 5.464 143 HG23 VAL 23 HG23 VAL 23 1.102 -2.098 6.813 144 H ARG 24 H ARG 24 -0.227 -6.392 5.085 145 HA ARG 24 HA ARG 24 -2.836 -5.424 5.709 146 HB2 ARG 24 HB2 ARG 24 -2.298 -6.806 3.738 147 HB3 ARG 24 HB3 ARG 24 -1.900 -8.168 4.773 148 HG2 ARG 24 HG2 ARG 24 -4.041 -8.498 3.738 149 HG3 ARG 24 HG3 ARG 24 -4.288 -8.329 5.472 150 HD2 ARG 24 HD2 ARG 24 -4.672 -6.084 3.432 151 HD3 ARG 24 HD3 ARG 24 -5.966 -7.175 3.954 152 HE ARG 24 HE ARG 24 -5.038 -6.221 6.347 153 HH11 ARG 24 HH11 ARG 24 -6.207 -4.519 3.488 154 HH12 ARG 24 HH12 ARG 24 -6.615 -3.108 4.434 155 HH21 ARG 24 HH21 ARG 24 -5.595 -4.360 7.423 156 HH22 ARG 24 HH22 ARG 24 -6.248 -3.003 6.520 157 H ASP 25 H ASP 25 -0.855 -7.908 7.313 158 HA ASP 25 HA ASP 25 -2.889 -8.396 9.375 159 HB2 ASP 25 HB2 ASP 25 -0.083 -9.476 9.054 160 HB3 ASP 25 HB3 ASP 25 -1.258 -10.017 10.234 161 H ASN 26 H ASN 26 -1.100 -5.771 8.995 162 HA ASN 26 HA ASN 26 -0.260 -4.149 10.256 163 HB2 ASN 26 HB2 ASN 26 -2.601 -4.354 11.120 164 HB3 ASN 26 HB3 ASN 26 -1.982 -5.305 12.475 165 HD21 ASN 26 HD21 ASN 26 -2.114 -3.929 14.277 166 HD22 ASN 26 HD22 ASN 26 -1.546 -2.270 14.257 167 H ARG 27 H ARG 27 1.339 -6.590 10.183 168 HA ARG 27 HA ARG 27 2.985 -6.403 12.656 169 HB2 ARG 27 HB2 ARG 27 3.598 -7.894 10.070 170 HB3 ARG 27 HB3 ARG 27 4.421 -8.051 11.600 171 HG2 ARG 27 HG2 ARG 27 1.648 -9.066 10.903 172 HG3 ARG 27 HG3 ARG 27 3.104 -9.974 11.271 173 HD2 ARG 27 HD2 ARG 27 2.071 -10.184 13.296 174 HD3 ARG 27 HD3 ARG 27 2.927 -8.671 13.613 175 HE ARG 27 HE ARG 27 0.274 -8.300 12.427 176 HH11 ARG 27 HH11 ARG 27 1.807 -8.719 15.545 177 HH12 ARG 27 HH12 ARG 27 0.421 -8.051 16.384 178 HH21 ARG 27 HH21 ARG 27 -1.370 -7.554 13.480 179 HH22 ARG 27 HH22 ARG 27 -1.376 -7.408 15.232 180 H LEU 28 H LEU 28 2.860 -5.117 9.390 181 HA LEU 28 HA LEU 28 5.519 -3.792 9.708 182 HB2 LEU 28 HB2 LEU 28 4.939 -5.735 8.028 183 HB3 LEU 28 HB3 LEU 28 4.115 -4.494 7.127 184 HG LEU 28 HG LEU 28 6.209 -4.891 6.138 185 HD11 LEU 28 HD11 LEU 28 6.643 -2.413 7.732 186 HD12 LEU 28 HD12 LEU 28 5.544 -2.511 6.331 187 HD13 LEU 28 HD13 LEU 28 7.293 -2.797 6.124 188 HD21 LEU 28 HD21 LEU 28 8.356 -4.704 7.284 189 HD22 LEU 28 HD22 LEU 28 7.365 -5.925 8.104 190 HD23 LEU 28 HD23 LEU 28 7.563 -4.298 8.810 191 H SER 29 H SER 29 5.655 -1.574 9.344 192 HA SER 29 HA SER 29 3.163 -0.027 9.393 193 HB2 SER 29 HB2 SER 29 5.009 0.629 10.825 194 HB3 SER 29 HB3 SER 29 6.043 0.881 9.410 195 HG SER 29 HG SER 29 4.998 2.793 10.324 196 H ILE 30 H ILE 30 2.720 1.748 8.003 197 HA ILE 30 HA ILE 30 2.890 1.374 5.142 198 HB ILE 30 HB ILE 30 2.422 3.886 6.820 199 HG12 ILE 30 HG12 ILE 30 0.708 2.208 7.352 200 HG13 ILE 30 HG13 ILE 30 0.048 3.601 6.519 201 HG21 ILE 30 HG21 ILE 30 1.923 3.388 3.863 202 HG22 ILE 30 HG22 ILE 30 1.249 4.759 4.776 203 HG23 ILE 30 HG23 ILE 30 2.998 4.582 4.612 204 HD11 ILE 30 HD11 ILE 30 0.580 0.868 5.269 205 HD12 ILE 30 HD12 ILE 30 -0.993 1.586 5.688 206 HD13 ILE 30 HD13 ILE 30 -0.036 2.303 4.406 207 H GLU 31 H GLU 31 4.812 3.334 7.493 208 HA GLU 31 HA GLU 31 6.440 4.591 5.422 209 HB2 GLU 31 HB2 GLU 31 6.846 4.266 8.429 210 HB3 GLU 31 HB3 GLU 31 7.866 5.267 7.403 211 HG2 GLU 31 HG2 GLU 31 4.867 5.723 7.741 212 HG3 GLU 31 HG3 GLU 31 6.099 6.484 8.744 213 H GLN 32 H GLN 32 6.807 1.704 7.462 214 HA GLN 32 HA GLN 32 9.545 1.114 6.738 215 HB2 GLN 32 HB2 GLN 32 7.240 -0.435 7.898 216 HB3 GLN 32 HB3 GLN 32 8.834 -1.175 7.652 217 HG2 GLN 32 HG2 GLN 32 9.831 0.461 9.204 218 HG3 GLN 32 HG3 GLN 32 8.262 1.260 9.409 219 HE21 GLN 32 HE21 GLN 32 9.787 0.142 11.607 220 HE22 GLN 32 HE22 GLN 32 8.810 -1.166 12.254 221 H ALA 33 H ALA 33 6.331 -0.032 5.523 222 HA ALA 33 HA ALA 33 7.384 -1.804 3.554 223 HB1 ALA 33 HB1 ALA 33 5.126 -2.073 4.214 224 HB2 ALA 33 HB2 ALA 33 4.742 -0.353 3.934 225 HB3 ALA 33 HB3 ALA 33 5.008 -1.444 2.569 226 H VAL 34 H VAL 34 7.045 1.692 3.471 227 HA VAL 34 HA VAL 34 7.609 1.937 0.592 228 HB VAL 34 HB VAL 34 7.574 3.960 2.860 229 HG11 VAL 34 HG11 VAL 34 7.946 4.421 -0.124 230 HG12 VAL 34 HG12 VAL 34 7.573 5.682 1.062 231 HG13 VAL 34 HG13 VAL 34 9.112 4.815 1.169 232 HG21 VAL 34 HG21 VAL 34 5.350 2.947 2.091 233 HG22 VAL 34 HG22 VAL 34 5.499 4.700 1.960 234 HG23 VAL 34 HG23 VAL 34 5.657 3.660 0.520 235 H THR 35 H THR 35 9.550 2.173 3.646 236 HA THR 35 HA THR 35 11.914 2.857 2.137 237 HB THR 35 HB THR 35 11.343 3.397 4.586 238 HG1 THR 35 HG1 THR 35 13.498 3.789 4.909 239 HG21 THR 35 HG21 THR 35 11.331 1.031 5.433 240 HG22 THR 35 HG22 THR 35 12.478 2.085 6.279 241 HG23 THR 35 HG23 THR 35 13.066 0.936 5.068 242 H LEU 36 H LEU 36 10.633 -0.249 3.177 243 HA LEU 36 HA LEU 36 13.022 -1.756 2.412 244 HB2 LEU 36 HB2 LEU 36 10.159 -2.612 3.014 245 HB3 LEU 36 HB3 LEU 36 11.525 -3.705 2.773 246 HG LEU 36 HG LEU 36 11.233 -1.700 5.043 247 HD11 LEU 36 HD11 LEU 36 9.779 -3.679 5.217 248 HD12 LEU 36 HD12 LEU 36 11.037 -3.665 6.462 249 HD13 LEU 36 HD13 LEU 36 11.196 -4.736 5.050 250 HD21 LEU 36 HD21 LEU 36 13.584 -1.877 4.544 251 HD22 LEU 36 HD22 LEU 36 13.487 -3.651 4.456 252 HD23 LEU 36 HD23 LEU 36 13.239 -2.811 6.005 253 H LEU 37 H LEU 37 10.384 -0.472 0.596 254 HA LEU 37 HA LEU 37 10.293 -2.398 -1.541 255 HB2 LEU 37 HB2 LEU 37 8.465 -0.884 -1.011 256 HB3 LEU 37 HB3 LEU 37 9.489 0.514 -1.280 257 HG LEU 37 HG LEU 37 9.632 -0.048 -3.714 258 HD11 LEU 37 HD11 LEU 37 7.957 -1.621 -4.618 259 HD12 LEU 37 HD12 LEU 37 7.500 -2.090 -2.968 260 HD13 LEU 37 HD13 LEU 37 9.128 -2.465 -3.602 261 HD21 LEU 37 HD21 LEU 37 8.082 1.599 -2.944 262 HD22 LEU 37 HD22 LEU 37 6.949 0.367 -2.412 263 HD23 LEU 37 HD23 LEU 37 7.254 0.622 -4.155 264 H THR 38 H THR 38 12.189 0.550 -1.045 265 HA THR 38 HA THR 38 13.380 1.922 -2.373 266 HB THR 38 HB THR 38 14.126 -0.485 -4.059 267 HG1 THR 38 HG1 THR 38 15.928 -0.538 -2.743 268 HG21 THR 38 HG21 THR 38 14.647 1.676 -5.171 269 HG22 THR 38 HG22 THR 38 16.126 0.882 -4.608 270 HG23 THR 38 HG23 THR 38 15.448 2.250 -3.696 271 HA PRO 39 HA PRO 39 9.500 2.151 -4.720 272 HB2 PRO 39 HB2 PRO 39 9.952 5.101 -4.345 273 HB3 PRO 39 HB3 PRO 39 8.454 4.151 -4.126 274 HG2 PRO 39 HG2 PRO 39 9.926 4.964 -1.983 275 HG3 PRO 39 HG3 PRO 39 9.213 3.323 -2.008 276 HD2 PRO 39 HD2 PRO 39 12.045 4.148 -2.647 277 HD3 PRO 39 HD3 PRO 39 11.442 2.768 -1.678 278 H ARG 40 H ARG 40 8.915 2.547 -6.799 279 HA ARG 40 HA ARG 40 10.878 3.554 -8.772 280 HB2 ARG 40 HB2 ARG 40 8.047 2.538 -9.162 281 HB3 ARG 40 HB3 ARG 40 9.193 2.991 -10.427 282 HG2 ARG 40 HG2 ARG 40 10.798 1.215 -9.378 283 HG3 ARG 40 HG3 ARG 40 9.376 0.658 -8.481 284 HD2 ARG 40 HD2 ARG 40 9.469 -0.710 -10.376 285 HD3 ARG 40 HD3 ARG 40 8.190 0.473 -10.722 286 HE ARG 40 HE ARG 40 10.619 1.515 -11.747 287 HH11 ARG 40 HH11 ARG 40 8.493 -1.182 -12.547 288 HH12 ARG 40 HH12 ARG 40 9.080 -1.236 -14.192 289 HH21 ARG 40 HH21 ARG 40 11.266 1.387 -13.853 290 HH22 ARG 40 HH22 ARG 40 10.572 0.189 -14.913 291 H ARG 41 H ARG 41 10.486 5.364 -10.129 292 HA ARG 41 HA ARG 41 9.223 7.669 -8.886 293 HB2 ARG 41 HB2 ARG 41 11.200 7.861 -10.291 294 HB3 ARG 41 HB3 ARG 41 10.351 7.234 -11.693 295 HG2 ARG 41 HG2 ARG 41 9.309 9.736 -10.320 296 HG3 ARG 41 HG3 ARG 41 10.759 9.845 -11.319 297 HD2 ARG 41 HD2 ARG 41 9.636 9.082 -13.286 298 HD3 ARG 41 HD3 ARG 41 8.186 8.622 -12.415 299 HE ARG 41 HE ARG 41 9.011 11.325 -13.221 300 HH11 ARG 41 HH11 ARG 41 6.727 9.618 -11.120 301 HH12 ARG 41 HH12 ARG 41 5.551 10.905 -11.289 302 HH21 ARG 41 HH21 ARG 41 7.455 12.908 -13.259 303 HH22 ARG 41 HH22 ARG 41 5.972 12.676 -12.359 304 H GLY 42 H GLY 42 8.064 5.323 -11.232 305 HA2 GLY 42 HA2 GLY 42 5.331 5.698 -10.902 306 HA3 GLY 42 HA3 GLY 42 5.790 6.879 -12.127 307 H GLY 43 H GLY 43 4.100 5.393 -13.159 308 HA2 GLY 43 HA2 GLY 43 5.029 4.249 -15.447 309 HA3 GLY 43 HA3 GLY 43 5.081 2.892 -14.328 310 H GLY 44 H GLY 44 3.545 1.980 -15.905 311 HA2 GLY 44 HA2 GLY 44 1.434 1.201 -16.409 312 HA3 GLY 44 HA3 GLY 44 0.860 2.008 -14.950 313 H SER 45 H SER 45 -0.914 3.081 -15.524 314 HA SER 45 HA SER 45 -0.915 5.055 -17.746 315 HB2 SER 45 HB2 SER 45 -1.862 2.858 -18.553 316 HB3 SER 45 HB3 SER 45 -3.159 3.044 -17.352 317 HG SER 45 HG SER 45 -3.700 3.867 -19.450 318 H GLY 46 H GLY 46 -2.954 6.433 -17.608 319 HA2 GLY 46 HA2 GLY 46 -4.181 8.012 -16.388 320 HA3 GLY 46 HA3 GLY 46 -4.093 6.971 -14.969 321 H GLY 47 H GLY 47 -3.506 8.556 -13.473 322 HA2 GLY 47 HA2 GLY 47 -1.360 10.462 -13.817 323 HA3 GLY 47 HA3 GLY 47 -2.124 10.003 -12.299 324 H GLY 48 H GLY 48 0.671 9.730 -14.220 325 HA2 GLY 48 HA2 GLY 48 1.671 7.161 -13.509 326 HA3 GLY 48 HA3 GLY 48 2.614 8.510 -14.152 327 H SER 49 H SER 49 1.921 10.208 -11.752 328 HA SER 49 HA SER 49 4.109 9.384 -10.009 329 HB2 SER 49 HB2 SER 49 2.242 11.768 -9.818 330 HB3 SER 49 HB3 SER 49 3.749 11.539 -8.916 331 HG SER 49 HG SER 49 3.876 12.859 -10.886 332 H MET 50 H MET 50 2.213 7.398 -9.805 333 HA MET 50 HA MET 50 0.708 7.749 -7.293 334 HB2 MET 50 HB2 MET 50 -0.203 6.479 -9.242 335 HB3 MET 50 HB3 MET 50 1.079 5.277 -9.027 336 HG2 MET 50 HG2 MET 50 -0.924 4.486 -7.963 337 HG3 MET 50 HG3 MET 50 0.276 4.871 -6.723 338 HE1 MET 50 HE1 MET 50 -1.648 4.739 -4.808 339 HE2 MET 50 HE2 MET 50 -3.216 5.549 -4.984 340 HE3 MET 50 HE3 MET 50 -2.751 4.265 -6.119 341 H ASP 51 H ASP 51 2.110 8.028 -5.649 342 HA ASP 51 HA ASP 51 4.643 6.622 -5.461 343 HB2 ASP 51 HB2 ASP 51 3.271 8.370 -3.394 344 HB3 ASP 51 HB3 ASP 51 4.966 7.906 -3.404 345 H ALA 52 H ALA 52 5.380 5.216 -3.857 346 HA ALA 52 HA ALA 52 3.751 3.054 -3.143 347 HB1 ALA 52 HB1 ALA 52 5.652 2.354 -1.760 348 HB2 ALA 52 HB2 ALA 52 6.195 2.999 -3.321 349 HB3 ALA 52 HB3 ALA 52 6.335 3.995 -1.843 350 H LYS 53 H LYS 53 4.442 5.964 -1.198 351 HA LYS 53 HA LYS 53 3.255 5.138 1.250 352 HB2 LYS 53 HB2 LYS 53 4.616 7.140 1.102 353 HB3 LYS 53 HB3 LYS 53 3.540 7.869 -0.085 354 HG2 LYS 53 HG2 LYS 53 3.292 8.894 2.137 355 HG3 LYS 53 HG3 LYS 53 1.781 8.168 1.576 356 HD2 LYS 53 HD2 LYS 53 2.189 6.204 3.036 357 HD3 LYS 53 HD3 LYS 53 3.738 6.887 3.525 358 HE2 LYS 53 HE2 LYS 53 2.150 7.266 5.277 359 HE3 LYS 53 HE3 LYS 53 2.553 8.825 4.549 360 HZ1 LYS 53 HZ1 LYS 53 0.104 7.240 3.906 361 HZ2 LYS 53 HZ2 LYS 53 0.441 8.732 3.339 362 HZ3 LYS 53 HZ3 LYS 53 0.133 8.523 4.926 363 H GLU 54 H GLU 54 1.726 6.784 -1.535 364 HA GLU 54 HA GLU 54 -0.898 6.808 -0.355 365 HB2 GLU 54 HB2 GLU 54 -0.026 8.306 -2.224 366 HB3 GLU 54 HB3 GLU 54 -0.110 6.935 -3.307 367 HG2 GLU 54 HG2 GLU 54 -2.049 8.271 -3.672 368 HG3 GLU 54 HG3 GLU 54 -2.578 6.778 -2.903 369 H ILE 55 H ILE 55 0.774 4.535 -2.545 370 HA ILE 55 HA ILE 55 -1.439 2.804 -3.053 371 HB ILE 55 HB ILE 55 1.550 2.240 -2.993 372 HG12 ILE 55 HG12 ILE 55 -0.249 2.526 -5.432 373 HG13 ILE 55 HG13 ILE 55 0.506 3.922 -4.691 374 HG21 ILE 55 HG21 ILE 55 -0.803 0.510 -3.782 375 HG22 ILE 55 HG22 ILE 55 0.761 0.261 -4.522 376 HG23 ILE 55 HG23 ILE 55 0.592 0.095 -2.765 377 HD11 ILE 55 HD11 ILE 55 2.057 1.546 -5.795 378 HD12 ILE 55 HD12 ILE 55 1.864 3.134 -6.553 379 HD13 ILE 55 HD13 ILE 55 2.759 2.990 -5.044 380 H LEU 56 H LEU 56 1.114 2.522 -0.500 381 HA LEU 56 HA LEU 56 -0.114 0.254 0.777 382 HB2 LEU 56 HB2 LEU 56 1.978 2.281 1.568 383 HB3 LEU 56 HB3 LEU 56 1.254 1.275 2.809 384 HG LEU 56 HG LEU 56 3.232 0.244 2.280 385 HD11 LEU 56 HD11 LEU 56 1.213 -1.264 2.440 386 HD12 LEU 56 HD12 LEU 56 2.631 -1.956 1.608 387 HD13 LEU 56 HD13 LEU 56 1.250 -1.393 0.657 388 HD21 LEU 56 HD21 LEU 56 3.818 1.246 0.210 389 HD22 LEU 56 HD22 LEU 56 2.512 0.366 -0.648 390 HD23 LEU 56 HD23 LEU 56 3.905 -0.510 0.036 391 H THR 57 H THR 57 -0.523 3.767 1.350 392 HA THR 57 HA THR 57 -2.139 3.526 3.686 393 HB THR 57 HB THR 57 -2.243 5.690 1.550 394 HG1 THR 57 HG1 THR 57 -0.226 5.499 2.442 395 HG21 THR 57 HG21 THR 57 -4.184 5.857 3.034 396 HG22 THR 57 HG22 THR 57 -3.020 7.123 3.435 397 HG23 THR 57 HG23 THR 57 -3.149 5.678 4.462 398 H ARG 58 H ARG 58 -3.157 3.668 0.211 399 HA ARG 58 HA ARG 58 -5.961 3.236 0.866 400 HB2 ARG 58 HB2 ARG 58 -4.463 2.888 -1.760 401 HB3 ARG 58 HB3 ARG 58 -6.231 2.840 -1.545 402 HG2 ARG 58 HG2 ARG 58 -6.235 5.179 -0.757 403 HG3 ARG 58 HG3 ARG 58 -4.478 5.257 -0.962 404 HD2 ARG 58 HD2 ARG 58 -4.803 4.652 -3.404 405 HD3 ARG 58 HD3 ARG 58 -6.554 4.783 -3.137 406 HE ARG 58 HE ARG 58 -5.022 7.148 -2.293 407 HH11 ARG 58 HH11 ARG 58 -6.646 5.798 -5.114 408 HH12 ARG 58 HH12 ARG 58 -6.695 7.366 -5.891 409 HH21 ARG 58 HH21 ARG 58 -5.086 8.952 -3.271 410 HH22 ARG 58 HH22 ARG 58 -5.838 9.164 -4.858 411 H PHE 59 H PHE 59 -3.351 0.940 -0.084 412 HA PHE 59 HA PHE 59 -5.017 -1.355 -0.265 413 HB2 PHE 59 HB2 PHE 59 -2.734 -1.353 -1.104 414 HB3 PHE 59 HB3 PHE 59 -2.094 -0.980 0.491 415 HD1 PHE 59 HD1 PHE 59 -4.169 -3.618 -1.256 416 HD2 PHE 59 HD2 PHE 59 -1.276 -2.736 1.821 417 HE1 PHE 59 HE1 PHE 59 -4.003 -6.035 -0.714 418 HE2 PHE 59 HE2 PHE 59 -1.085 -5.143 2.339 419 HZ PHE 59 HZ PHE 59 -2.448 -6.806 1.077 420 H LYS 60 H LYS 60 -3.270 -0.006 2.598 421 HA LYS 60 HA LYS 60 -4.199 -2.097 4.314 422 HB2 LYS 60 HB2 LYS 60 -2.144 -0.638 4.629 423 HB3 LYS 60 HB3 LYS 60 -3.231 0.643 5.208 424 HG2 LYS 60 HG2 LYS 60 -4.036 -0.893 7.012 425 HG3 LYS 60 HG3 LYS 60 -2.962 -2.165 6.383 426 HD2 LYS 60 HD2 LYS 60 -1.015 -0.648 6.809 427 HD3 LYS 60 HD3 LYS 60 -2.131 0.522 7.555 428 HE2 LYS 60 HE2 LYS 60 -2.790 -1.159 9.225 429 HE3 LYS 60 HE3 LYS 60 -1.724 -2.362 8.478 430 HZ1 LYS 60 HZ1 LYS 60 0.173 -0.999 9.065 431 HZ2 LYS 60 HZ2 LYS 60 -0.719 -1.262 10.419 432 HZ3 LYS 60 HZ3 LYS 60 -0.791 0.194 9.677 433 H ASP 61 H ASP 61 -5.530 1.132 3.632 434 HA ASP 61 HA ASP 61 -7.716 0.963 5.510 435 HB2 ASP 61 HB2 ASP 61 -6.776 3.054 4.541 436 HB3 ASP 61 HB3 ASP 61 -7.390 2.581 2.952 437 H GLY 62 H GLY 62 -7.207 -0.641 2.476 438 HA2 GLY 62 HA2 GLY 62 -8.536 -2.270 1.482 439 HA3 GLY 62 HA3 GLY 62 -9.907 -1.812 2.501 440 H GLY 63 H GLY 63 -8.437 0.861 0.947 441 HA2 GLY 63 HA2 GLY 63 -10.650 1.260 -0.964 442 HA3 GLY 63 HA3 GLY 63 -9.338 2.375 -0.573 443 H LEU 64 H LEU 64 -7.673 -0.356 -1.105 444 HA LEU 64 HA LEU 64 -7.634 -0.243 -4.075 445 HB2 LEU 64 HB2 LEU 64 -5.829 1.189 -2.997 446 HB3 LEU 64 HB3 LEU 64 -5.168 -0.277 -2.288 447 HG LEU 64 HG LEU 64 -4.850 -1.172 -4.650 448 HD11 LEU 64 HD11 LEU 64 -4.774 0.608 -6.432 449 HD12 LEU 64 HD12 LEU 64 -5.487 1.755 -5.286 450 HD13 LEU 64 HD13 LEU 64 -6.419 0.350 -5.843 451 HD21 LEU 64 HD21 LEU 64 -3.459 1.435 -3.919 452 HD22 LEU 64 HD22 LEU 64 -2.849 0.198 -5.053 453 HD23 LEU 64 HD23 LEU 64 -3.010 -0.182 -3.327 454 H ASP 65 H ASP 65 -7.408 -2.218 -5.067 455 HA ASP 65 HA ASP 65 -7.637 -4.631 -3.468 456 HB2 ASP 65 HB2 ASP 65 -7.189 -4.439 -6.451 457 HB3 ASP 65 HB3 ASP 65 -7.845 -5.806 -5.551 458 H ARG 66 H ARG 66 -6.215 -6.454 -3.516 459 HA ARG 66 HA ARG 66 -3.450 -5.860 -3.093 460 HB2 ARG 66 HB2 ARG 66 -4.848 -7.796 -2.197 461 HB3 ARG 66 HB3 ARG 66 -4.641 -8.576 -3.774 462 HG2 ARG 66 HG2 ARG 66 -2.156 -8.540 -3.438 463 HG3 ARG 66 HG3 ARG 66 -2.402 -7.736 -1.868 464 HD2 ARG 66 HD2 ARG 66 -3.830 -9.719 -1.180 465 HD3 ARG 66 HD3 ARG 66 -3.372 -10.504 -2.692 466 HE ARG 66 HE ARG 66 -1.156 -10.797 -1.913 467 HH11 ARG 66 HH11 ARG 66 -3.065 -9.321 0.668 468 HH12 ARG 66 HH12 ARG 66 -1.849 -9.773 1.846 469 HH21 ARG 66 HH21 ARG 66 0.172 -11.304 -0.445 470 HH22 ARG 66 HH22 ARG 66 -0.047 -10.931 1.257 471 H ALA 67 H ALA 67 -5.097 -7.109 -5.974 472 HA ALA 67 HA ALA 67 -2.769 -7.557 -7.591 473 HB1 ALA 67 HB1 ALA 67 -5.014 -8.488 -8.094 474 HB2 ALA 67 HB2 ALA 67 -5.651 -6.842 -8.336 475 HB3 ALA 67 HB3 ALA 67 -4.432 -7.506 -9.453 476 H ALA 68 H ALA 68 -4.841 -4.654 -7.168 477 HA ALA 68 HA ALA 68 -3.395 -3.022 -9.056 478 HB1 ALA 68 HB1 ALA 68 -5.738 -2.598 -8.430 479 HB2 ALA 68 HB2 ALA 68 -5.236 -2.248 -6.762 480 HB3 ALA 68 HB3 ALA 68 -4.714 -1.190 -8.088 481 H ALA 69 H ALA 69 -3.151 -3.436 -5.487 482 HA ALA 69 HA ALA 69 -1.123 -1.504 -5.050 483 HB1 ALA 69 HB1 ALA 69 -1.595 -4.147 -3.591 484 HB2 ALA 69 HB2 ALA 69 -0.683 -2.758 -2.981 485 HB3 ALA 69 HB3 ALA 69 -2.424 -2.616 -3.259 486 H GLN 70 H GLN 70 -0.747 -5.023 -5.808 487 HA GLN 70 HA GLN 70 2.096 -4.973 -5.942 488 HB2 GLN 70 HB2 GLN 70 0.049 -6.791 -7.266 489 HB3 GLN 70 HB3 GLN 70 1.805 -7.044 -7.344 490 HG2 GLN 70 HG2 GLN 70 1.967 -7.224 -4.931 491 HG3 GLN 70 HG3 GLN 70 0.260 -6.866 -4.729 492 HE21 GLN 70 HE21 GLN 70 0.698 -9.006 -3.447 493 HE22 GLN 70 HE22 GLN 70 0.381 -10.476 -4.347 494 H ALA 71 H ALA 71 -0.331 -4.448 -8.561 495 HA ALA 71 HA ALA 71 1.498 -4.220 -10.700 496 HB1 ALA 71 HB1 ALA 71 -0.387 -3.053 -11.817 497 HB2 ALA 71 HB2 ALA 71 -0.943 -4.495 -10.952 498 HB3 ALA 71 HB3 ALA 71 -1.220 -2.866 -10.268 499 H LEU 72 H LEU 72 0.062 -1.589 -8.699 500 HA LEU 72 HA LEU 72 1.480 0.522 -10.004 501 HB2 LEU 72 HB2 LEU 72 -0.148 0.209 -7.466 502 HB3 LEU 72 HB3 LEU 72 0.637 1.722 -7.839 503 HG LEU 72 HG LEU 72 -0.671 2.252 -9.609 504 HD11 LEU 72 HD11 LEU 72 -2.245 0.844 -10.836 505 HD12 LEU 72 HD12 LEU 72 -1.733 -0.572 -9.913 506 HD13 LEU 72 HD13 LEU 72 -0.599 0.242 -11.010 507 HD21 LEU 72 HD21 LEU 72 -1.925 2.193 -7.445 508 HD22 LEU 72 HD22 LEU 72 -2.529 0.575 -7.885 509 HD23 LEU 72 HD23 LEU 72 -2.992 1.984 -8.857 510 H LEU 73 H LEU 73 2.313 -1.399 -7.082 511 HA LEU 73 HA LEU 73 4.660 0.177 -6.439 512 HB2 LEU 73 HB2 LEU 73 3.873 -2.696 -5.804 513 HB3 LEU 73 HB3 LEU 73 5.312 -1.925 -5.166 514 HG LEU 73 HG LEU 73 2.499 -0.900 -4.680 515 HD11 LEU 73 HD11 LEU 73 2.794 -3.105 -3.649 516 HD12 LEU 73 HD12 LEU 73 2.694 -1.830 -2.431 517 HD13 LEU 73 HD13 LEU 73 4.271 -2.542 -2.836 518 HD21 LEU 73 HD21 LEU 73 5.062 -0.239 -3.231 519 HD22 LEU 73 HD22 LEU 73 3.462 0.442 -2.903 520 HD23 LEU 73 HD23 LEU 73 4.280 0.826 -4.418 521 H ALA 74 H ALA 74 4.142 -2.648 -8.540 522 HA ALA 74 HA ALA 74 6.931 -2.900 -9.290 523 HB1 ALA 74 HB1 ALA 74 6.044 -4.467 -10.977 524 HB2 ALA 74 HB2 ALA 74 5.365 -4.792 -9.374 525 HB3 ALA 74 HB3 ALA 74 4.391 -3.951 -10.608 526 H GLY 75 H GLY 75 4.478 -0.680 -10.320 527 HA2 GLY 75 HA2 GLY 75 4.808 1.217 -11.640 528 HA3 GLY 75 HA3 GLY 75 6.312 0.548 -12.278 529 H ARG 76 H ARG 76 3.206 -1.170 -12.298 530 HA ARG 76 HA ARG 76 2.790 -0.673 -15.219 531 HB2 ARG 76 HB2 ARG 76 2.335 -3.061 -15.567 532 HB3 ARG 76 HB3 ARG 76 3.996 -2.785 -15.077 533 HG2 ARG 76 HG2 ARG 76 3.671 -3.682 -12.914 534 HG3 ARG 76 HG3 ARG 76 1.920 -3.527 -12.984 535 HD2 ARG 76 HD2 ARG 76 3.494 -5.414 -14.780 536 HD3 ARG 76 HD3 ARG 76 2.776 -5.879 -13.225 537 HE ARG 76 HE ARG 76 0.648 -4.728 -14.537 538 HH11 ARG 76 HH11 ARG 76 2.734 -7.404 -15.431 539 HH12 ARG 76 HH12 ARG 76 1.497 -8.121 -16.432 540 HH21 ARG 76 HH21 ARG 76 -0.798 -5.616 -15.793 541 HH22 ARG 76 HH22 ARG 76 -0.496 -7.124 -16.640 542 H THR 77 H THR 77 0.600 -1.662 -15.920 543 HA THR 77 HA THR 77 -1.521 -0.759 -14.088 544 HB THR 77 HB THR 77 -3.042 -1.480 -15.998 545 HG1 THR 77 HG1 THR 77 -2.033 -1.805 -17.970 546 HG21 THR 77 HG21 THR 77 -0.882 0.559 -16.698 547 HG22 THR 77 HG22 THR 77 -2.299 0.874 -15.654 548 HG23 THR 77 HG23 THR 77 -2.522 0.470 -17.372 549 HA PRO 78 HA PRO 78 -2.597 -4.975 -12.849 550 HB2 PRO 78 HB2 PRO 78 -5.068 -4.564 -11.787 551 HB3 PRO 78 HB3 PRO 78 -3.563 -4.044 -10.985 552 HG2 PRO 78 HG2 PRO 78 -5.451 -2.389 -12.688 553 HG3 PRO 78 HG3 PRO 78 -4.746 -1.969 -11.092 554 HD2 PRO 78 HD2 PRO 78 -3.698 -1.091 -13.478 555 HD3 PRO 78 HD3 PRO 78 -2.679 -1.444 -12.050 556 H ALA 79 H ALA 79 -4.260 -6.621 -13.385 557 HA ALA 79 HA ALA 79 -5.850 -6.088 -15.827 558 HB1 ALA 79 HB1 ALA 79 -3.622 -6.840 -16.589 559 HB2 ALA 79 HB2 ALA 79 -3.762 -8.292 -15.574 560 HB3 ALA 79 HB3 ALA 79 -4.865 -8.056 -16.943 561 H ALA 80 H ALA 80 -7.450 -7.593 -16.313 562 HA ALA 80 HA ALA 80 -8.158 -9.754 -14.449 563 HB1 ALA 80 HB1 ALA 80 -10.017 -7.386 -14.965 564 HB2 ALA 80 HB2 ALA 80 -10.413 -8.848 -14.044 565 HB3 ALA 80 HB3 ALA 80 -9.187 -7.724 -13.424 566 H ALA 81 H ALA 81 -9.999 -11.057 -15.302 567 HA ALA 81 HA ALA 81 -9.811 -11.452 -18.154 568 HB1 ALA 81 HB1 ALA 81 -10.074 -13.311 -16.630 569 HB2 ALA 81 HB2 ALA 81 -11.638 -12.685 -16.063 570 HB3 ALA 81 HB3 ALA 81 -11.459 -13.255 -17.740 571 HA PRO 82 HA PRO 82 -13.112 -8.450 -18.966 572 HB2 PRO 82 HB2 PRO 82 -12.880 -8.189 -21.655 573 HB3 PRO 82 HB3 PRO 82 -11.587 -7.668 -20.548 574 HG2 PRO 82 HG2 PRO 82 -11.763 -10.326 -22.025 575 HG3 PRO 82 HG3 PRO 82 -10.394 -9.173 -21.983 576 HD2 PRO 82 HD2 PRO 82 -10.539 -11.336 -20.315 577 HD3 PRO 82 HD3 PRO 82 -9.827 -9.782 -19.785 578 H ARG 83 H ARG 83 -14.535 -10.131 -18.098 579 HA ARG 83 HA ARG 83 -15.970 -11.977 -19.846 580 HB2 ARG 83 HB2 ARG 83 -16.303 -11.090 -16.962 581 HB3 ARG 83 HB3 ARG 83 -17.361 -12.284 -17.709 582 HG2 ARG 83 HG2 ARG 83 -15.736 -13.914 -17.844 583 HG3 ARG 83 HG3 ARG 83 -14.391 -12.777 -17.932 584 HD2 ARG 83 HD2 ARG 83 -16.043 -13.189 -15.415 585 HD3 ARG 83 HD3 ARG 83 -14.546 -14.071 -15.781 586 HE ARG 83 HE ARG 83 -13.832 -11.416 -16.098 587 HH11 ARG 83 HH11 ARG 83 -15.051 -13.227 -13.354 588 HH12 ARG 83 HH12 ARG 83 -14.272 -12.154 -12.213 589 HH21 ARG 83 HH21 ARG 83 -12.931 -10.111 -14.648 590 HH22 ARG 83 HH22 ARG 83 -13.082 -10.436 -12.934 591 HA PRO 84 HA PRO 84 -19.224 -9.288 -21.214 592 HB2 PRO 84 HB2 PRO 84 -21.328 -10.988 -21.613 593 HB3 PRO 84 HB3 PRO 84 -19.857 -10.992 -22.633 594 HG2 PRO 84 HG2 PRO 84 -20.480 -12.804 -20.280 595 HG3 PRO 84 HG3 PRO 84 -19.895 -13.263 -21.911 596 HD2 PRO 84 HD2 PRO 84 -18.188 -12.975 -19.805 597 HD3 PRO 84 HD3 PRO 84 -17.708 -12.469 -21.445 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 24.642 0.084 -18.893 2 H2 GLY 1 H2 GLY 1 23.067 -0.321 -19.058 3 H3 GLY 1 H3 GLY 1 23.674 -0.057 -17.567 4 HA2 GLY 1 HA2 GLY 1 23.417 1.968 -19.667 5 HA3 GLY 1 HA3 GLY 1 22.347 1.821 -18.267 6 HA PRO 2 HA PRO 2 26.646 3.793 -17.179 7 HB2 PRO 2 HB2 PRO 2 27.010 6.143 -18.501 8 HB3 PRO 2 HB3 PRO 2 27.453 4.566 -19.218 9 HG2 PRO 2 HG2 PRO 2 24.902 6.154 -19.660 10 HG3 PRO 2 HG3 PRO 2 25.986 5.439 -20.891 11 HD2 PRO 2 HD2 PRO 2 23.737 4.156 -20.027 12 HD3 PRO 2 HD3 PRO 2 25.223 3.244 -20.425 13 H GLY 3 H GLY 3 27.069 5.543 -15.720 14 HA2 GLY 3 HA2 GLY 3 26.580 7.107 -14.108 15 HA3 GLY 3 HA3 GLY 3 25.427 7.782 -15.253 16 H SER 4 H SER 4 23.854 8.324 -13.824 17 HA SER 4 HA SER 4 22.845 6.455 -11.807 18 HB2 SER 4 HB2 SER 4 21.967 9.275 -12.508 19 HB3 SER 4 HB3 SER 4 21.478 8.337 -11.071 20 HG SER 4 HG SER 4 23.235 9.781 -10.651 21 H TYR 5 H TYR 5 22.251 6.201 -14.926 22 HA TYR 5 HA TYR 5 19.435 6.453 -15.281 23 HB2 TYR 5 HB2 TYR 5 21.082 6.283 -17.103 24 HB3 TYR 5 HB3 TYR 5 21.428 4.616 -16.649 25 HD1 TYR 5 HD2 TYR 5 18.624 6.886 -17.714 26 HD2 TYR 5 HD1 TYR 5 20.166 2.849 -17.632 27 HE1 TYR 5 HE2 TYR 5 16.796 6.146 -19.238 28 HE2 TYR 5 HE1 TYR 5 18.380 2.138 -19.210 29 HH TYR 5 HH TYR 5 15.870 4.419 -20.405 30 H THR 6 H THR 6 17.698 5.057 -15.075 31 HA THR 6 HA THR 6 18.009 3.183 -12.869 32 HB THR 6 HB THR 6 15.539 3.158 -12.856 33 HG1 THR 6 HG1 THR 6 14.478 4.531 -14.344 34 HG21 THR 6 HG21 THR 6 16.627 5.992 -13.142 35 HG22 THR 6 HG22 THR 6 16.766 4.998 -11.671 36 HG23 THR 6 HG23 THR 6 15.166 5.491 -12.260 37 H GLY 7 H GLY 7 17.723 2.724 -16.304 38 HA2 GLY 7 HA2 GLY 7 17.510 0.812 -17.589 39 HA3 GLY 7 HA3 GLY 7 17.794 -0.159 -16.142 40 H ALA 8 H ALA 8 15.099 2.013 -15.913 41 HA ALA 8 HA ALA 8 12.956 1.635 -15.415 42 HB1 ALA 8 HB1 ALA 8 12.870 1.694 -17.873 43 HB2 ALA 8 HB2 ALA 8 12.976 -0.083 -17.924 44 HB3 ALA 8 HB3 ALA 8 11.574 0.701 -17.181 45 H GLY 9 H GLY 9 14.758 -0.119 -14.002 46 HA2 GLY 9 HA2 GLY 9 13.726 -2.780 -13.762 47 HA3 GLY 9 HA3 GLY 9 14.765 -1.962 -12.596 48 H GLU 10 H GLU 10 12.574 -3.783 -12.059 49 HA GLU 10 HA GLU 10 10.760 -2.095 -10.434 50 HB2 GLU 10 HB2 GLU 10 8.853 -3.368 -11.176 51 HB3 GLU 10 HB3 GLU 10 9.663 -2.632 -12.563 52 HG2 GLU 10 HG2 GLU 10 10.820 -4.896 -12.912 53 HG3 GLU 10 HG3 GLU 10 9.725 -5.546 -11.684 54 HA PRO 11 HA PRO 11 11.366 -5.147 -7.196 55 HB2 PRO 11 HB2 PRO 11 8.418 -4.906 -6.622 56 HB3 PRO 11 HB3 PRO 11 9.807 -4.742 -5.502 57 HG2 PRO 11 HG2 PRO 11 8.486 -2.546 -6.394 58 HG3 PRO 11 HG3 PRO 11 10.269 -2.539 -6.283 59 HD2 PRO 11 HD2 PRO 11 8.530 -3.055 -8.715 60 HD3 PRO 11 HD3 PRO 11 9.940 -1.963 -8.542 61 H SER 12 H SER 12 10.920 -7.344 -6.596 62 HA SER 12 HA SER 12 9.721 -9.041 -8.677 63 HB2 SER 12 HB2 SER 12 11.781 -9.751 -7.587 64 HB3 SER 12 HB3 SER 12 10.973 -9.748 -6.007 65 HG SER 12 HG SER 12 11.108 -11.826 -7.178 66 H GLN 13 H GLN 13 7.828 -10.149 -8.586 67 HA GLN 13 HA GLN 13 5.696 -9.442 -6.839 68 HB2 GLN 13 HB2 GLN 13 4.507 -11.316 -7.790 69 HB3 GLN 13 HB3 GLN 13 5.375 -10.424 -9.049 70 HG2 GLN 13 HG2 GLN 13 7.157 -12.162 -9.028 71 HG3 GLN 13 HG3 GLN 13 6.264 -13.054 -7.795 72 HE21 GLN 13 HE21 GLN 13 6.746 -14.615 -9.841 73 HE22 GLN 13 HE22 GLN 13 5.363 -14.743 -10.922 74 H ALA 14 H ALA 14 8.304 -11.779 -6.390 75 HA ALA 14 HA ALA 14 7.030 -13.213 -4.206 76 HB1 ALA 14 HB1 ALA 14 9.937 -13.057 -5.093 77 HB2 ALA 14 HB2 ALA 14 9.249 -14.247 -3.979 78 HB3 ALA 14 HB3 ALA 14 8.732 -14.226 -5.684 79 H ASP 15 H ASP 15 8.981 -10.288 -4.447 80 HA ASP 15 HA ASP 15 9.369 -10.077 -1.539 81 HB2 ASP 15 HB2 ASP 15 9.872 -8.000 -3.682 82 HB3 ASP 15 HB3 ASP 15 10.386 -7.913 -1.997 83 H LEU 16 H LEU 16 7.338 -8.663 -4.009 84 HA LEU 16 HA LEU 16 5.934 -6.813 -2.335 85 HB2 LEU 16 HB2 LEU 16 5.124 -8.201 -4.932 86 HB3 LEU 16 HB3 LEU 16 4.155 -6.953 -4.168 87 HG LEU 16 HG LEU 16 7.026 -6.436 -5.021 88 HD11 LEU 16 HD11 LEU 16 5.733 -7.084 -6.998 89 HD12 LEU 16 HD12 LEU 16 6.067 -5.360 -7.031 90 HD13 LEU 16 HD13 LEU 16 4.448 -5.927 -6.566 91 HD21 LEU 16 HD21 LEU 16 6.095 -4.836 -3.385 92 HD22 LEU 16 HD22 LEU 16 4.692 -4.582 -4.446 93 HD23 LEU 16 HD23 LEU 16 6.308 -4.083 -4.975 94 H ASP 17 H ASP 17 4.897 -10.114 -3.389 95 HA ASP 17 HA ASP 17 2.461 -10.052 -1.926 96 HB2 ASP 17 HB2 ASP 17 3.127 -11.622 -3.793 97 HB3 ASP 17 HB3 ASP 17 4.180 -12.469 -2.672 98 H ALA 18 H ALA 18 5.698 -11.009 -0.892 99 HA ALA 18 HA ALA 18 4.905 -12.163 1.668 100 HB1 ALA 18 HB1 ALA 18 7.320 -12.024 2.155 101 HB2 ALA 18 HB2 ALA 18 7.040 -12.733 0.547 102 HB3 ALA 18 HB3 ALA 18 7.580 -11.038 0.703 103 H LEU 19 H LEU 19 5.920 -8.914 0.605 104 HA LEU 19 HA LEU 19 6.011 -7.710 3.213 105 HB2 LEU 19 HB2 LEU 19 7.224 -6.738 1.356 106 HB3 LEU 19 HB3 LEU 19 5.765 -6.648 0.370 107 HG LEU 19 HG LEU 19 4.833 -4.918 1.909 108 HD11 LEU 19 HD11 LEU 19 6.078 -5.558 3.951 109 HD12 LEU 19 HD12 LEU 19 6.263 -3.861 3.550 110 HD13 LEU 19 HD13 LEU 19 7.593 -4.987 3.193 111 HD21 LEU 19 HD21 LEU 19 7.568 -4.259 0.771 112 HD22 LEU 19 HD22 LEU 19 6.279 -3.105 1.171 113 HD23 LEU 19 HD23 LEU 19 6.016 -4.272 -0.120 114 H LEU 20 H LEU 20 3.562 -7.680 0.616 115 HA LEU 20 HA LEU 20 1.764 -5.906 1.826 116 HB2 LEU 20 HB2 LEU 20 1.388 -8.139 -0.162 117 HB3 LEU 20 HB3 LEU 20 0.104 -6.990 0.183 118 HG LEU 20 HG LEU 20 2.825 -6.025 -0.777 119 HD11 LEU 20 HD11 LEU 20 0.398 -6.643 -2.512 120 HD12 LEU 20 HD12 LEU 20 1.886 -7.609 -2.473 121 HD13 LEU 20 HD13 LEU 20 1.940 -5.928 -3.045 122 HD21 LEU 20 HD21 LEU 20 1.604 -4.077 -1.502 123 HD22 LEU 20 HD22 LEU 20 1.311 -4.344 0.215 124 HD23 LEU 20 HD23 LEU 20 0.061 -4.785 -0.974 125 H SER 21 H SER 21 1.858 -9.496 2.102 126 HA SER 21 HA SER 21 -0.553 -9.847 3.577 127 HB2 SER 21 HB2 SER 21 2.049 -11.416 3.605 128 HB3 SER 21 HB3 SER 21 0.575 -11.924 4.452 129 HG SER 21 HG SER 21 0.701 -12.859 2.395 130 H ALA 22 H ALA 22 2.575 -8.632 4.698 131 HA ALA 22 HA ALA 22 1.846 -8.932 7.534 132 HB1 ALA 22 HB1 ALA 22 4.164 -9.250 6.715 133 HB2 ALA 22 HB2 ALA 22 4.221 -7.535 6.239 134 HB3 ALA 22 HB3 ALA 22 4.025 -7.998 7.945 135 H VAL 23 H VAL 23 1.851 -6.283 5.079 136 HA VAL 23 HA VAL 23 1.207 -4.312 7.175 137 HB VAL 23 HB VAL 23 2.598 -3.503 5.485 138 HG11 VAL 23 HG11 VAL 23 2.118 -4.967 3.686 139 HG12 VAL 23 HG12 VAL 23 0.518 -4.240 3.427 140 HG13 VAL 23 HG13 VAL 23 2.015 -3.303 3.143 141 HG21 VAL 23 HG21 VAL 23 0.927 -1.921 6.368 142 HG22 VAL 23 HG22 VAL 23 1.484 -1.502 4.742 143 HG23 VAL 23 HG23 VAL 23 -0.113 -2.253 4.957 144 H ARG 24 H ARG 24 -0.654 -6.063 4.718 145 HA ARG 24 HA ARG 24 -3.208 -4.847 5.180 146 HB2 ARG 24 HB2 ARG 24 -2.476 -6.489 3.341 147 HB3 ARG 24 HB3 ARG 24 -2.626 -7.763 4.529 148 HG2 ARG 24 HG2 ARG 24 -4.555 -7.738 3.127 149 HG3 ARG 24 HG3 ARG 24 -5.077 -7.235 4.731 150 HD2 ARG 24 HD2 ARG 24 -5.246 -4.915 4.025 151 HD3 ARG 24 HD3 ARG 24 -4.405 -5.270 2.500 152 HE ARG 24 HE ARG 24 -6.947 -6.710 3.023 153 HH11 ARG 24 HH11 ARG 24 -5.610 -3.931 1.391 154 HH12 ARG 24 HH12 ARG 24 -6.718 -4.059 0.036 155 HH21 ARG 24 HH21 ARG 24 -8.431 -6.734 1.375 156 HH22 ARG 24 HH22 ARG 24 -8.372 -5.502 0.139 157 H ASP 25 H ASP 25 -1.434 -7.183 7.059 158 HA ASP 25 HA ASP 25 -3.699 -7.710 8.876 159 HB2 ASP 25 HB2 ASP 25 -2.385 -9.534 7.737 160 HB3 ASP 25 HB3 ASP 25 -0.988 -9.069 8.706 161 H ASN 26 H ASN 26 -1.811 -5.220 8.828 162 HA ASN 26 HA ASN 26 -0.965 -3.732 10.244 163 HB2 ASN 26 HB2 ASN 26 -3.283 -4.085 11.171 164 HB3 ASN 26 HB3 ASN 26 -2.584 -5.127 12.401 165 HD21 ASN 26 HD21 ASN 26 -2.317 -4.026 14.339 166 HD22 ASN 26 HD22 ASN 26 -1.921 -2.320 14.453 167 H ARG 27 H ARG 27 0.550 -6.322 9.958 168 HA ARG 27 HA ARG 27 2.232 -6.332 12.403 169 HB2 ARG 27 HB2 ARG 27 2.046 -8.183 10.023 170 HB3 ARG 27 HB3 ARG 27 3.402 -8.227 11.153 171 HG2 ARG 27 HG2 ARG 27 1.842 -8.465 13.056 172 HG3 ARG 27 HG3 ARG 27 0.464 -8.485 11.941 173 HD2 ARG 27 HD2 ARG 27 2.757 -10.500 11.821 174 HD3 ARG 27 HD3 ARG 27 1.312 -10.692 12.814 175 HE ARG 27 HE ARG 27 -0.083 -10.823 10.857 176 HH11 ARG 27 HH21 ARG 27 3.323 -10.987 9.955 177 HH12 ARG 27 HH22 ARG 27 2.925 -11.716 8.422 178 HH21 ARG 27 HH11 ARG 27 -0.471 -11.660 9.012 179 HH22 ARG 27 HH12 ARG 27 0.804 -12.071 7.858 180 H LEU 28 H LEU 28 2.252 -4.906 9.225 181 HA LEU 28 HA LEU 28 4.997 -3.840 9.739 182 HB2 LEU 28 HB2 LEU 28 4.625 -5.733 7.970 183 HB3 LEU 28 HB3 LEU 28 3.906 -4.485 6.992 184 HG LEU 28 HG LEU 28 6.144 -4.870 6.289 185 HD11 LEU 28 HD11 LEU 28 5.396 -2.469 6.460 186 HD12 LEU 28 HD12 LEU 28 7.144 -2.759 6.349 187 HD13 LEU 28 HD13 LEU 28 6.403 -2.362 7.915 188 HD21 LEU 28 HD21 LEU 28 8.126 -4.604 7.722 189 HD22 LEU 28 HD22 LEU 28 7.075 -5.874 8.363 190 HD23 LEU 28 HD23 LEU 28 7.101 -4.263 9.121 191 H SER 29 H SER 29 5.210 -1.616 9.413 192 HA SER 29 HA SER 29 2.729 -0.047 9.277 193 HB2 SER 29 HB2 SER 29 5.586 0.925 9.571 194 HB3 SER 29 HB3 SER 29 4.102 1.835 9.904 195 HG SER 29 HG SER 29 3.650 0.396 11.607 196 H ILE 30 H ILE 30 2.447 1.837 7.898 197 HA ILE 30 HA ILE 30 2.696 1.432 5.102 198 HB ILE 30 HB ILE 30 2.503 4.041 6.681 199 HG12 ILE 30 HG12 ILE 30 0.626 2.530 7.228 200 HG13 ILE 30 HG13 ILE 30 0.125 3.981 6.368 201 HG21 ILE 30 HG21 ILE 30 2.004 3.514 3.723 202 HG22 ILE 30 HG22 ILE 30 1.461 4.969 4.590 203 HG23 ILE 30 HG23 ILE 30 3.182 4.598 4.465 204 HD11 ILE 30 HD11 ILE 30 0.392 1.195 5.154 205 HD12 ILE 30 HD12 ILE 30 -1.101 2.076 5.546 206 HD13 ILE 30 HD13 ILE 30 -0.048 2.669 4.265 207 H GLU 31 H GLU 31 4.768 3.547 7.186 208 HA GLU 31 HA GLU 31 6.440 4.177 4.889 209 HB2 GLU 31 HB2 GLU 31 6.843 4.860 7.827 210 HB3 GLU 31 HB3 GLU 31 7.725 5.541 6.441 211 HG2 GLU 31 HG2 GLU 31 5.443 6.249 5.508 212 HG3 GLU 31 HG3 GLU 31 4.773 5.881 7.098 213 H GLN 32 H GLN 32 6.641 1.764 7.410 214 HA GLN 32 HA GLN 32 9.400 1.020 6.888 215 HB2 GLN 32 HB2 GLN 32 7.038 -0.292 8.260 216 HB3 GLN 32 HB3 GLN 32 8.565 -1.121 8.079 217 HG2 GLN 32 HG2 GLN 32 8.137 1.516 9.560 218 HG3 GLN 32 HG3 GLN 32 8.337 -0.067 10.301 219 HE21 GLN 32 HE21 GLN 32 10.491 -1.191 9.947 220 HE22 GLN 32 HE22 GLN 32 11.901 -0.157 9.776 221 H ALA 33 H ALA 33 6.176 0.015 5.593 222 HA ALA 33 HA ALA 33 7.274 -1.983 3.861 223 HB1 ALA 33 HB1 ALA 33 5.042 -1.676 2.668 224 HB2 ALA 33 HB2 ALA 33 4.942 -2.073 4.382 225 HB3 ALA 33 HB3 ALA 33 4.680 -0.395 3.855 226 H VAL 34 H VAL 34 6.983 1.540 3.444 227 HA VAL 34 HA VAL 34 7.751 1.488 0.624 228 HB VAL 34 HB VAL 34 7.767 3.732 2.676 229 HG11 VAL 34 HG11 VAL 34 9.373 4.294 0.934 230 HG12 VAL 34 HG12 VAL 34 8.211 3.827 -0.338 231 HG13 VAL 34 HG13 VAL 34 7.907 5.245 0.695 232 HG21 VAL 34 HG21 VAL 34 5.494 2.874 2.063 233 HG22 VAL 34 HG22 VAL 34 5.774 4.519 1.503 234 HG23 VAL 34 HG23 VAL 34 5.867 3.154 0.373 235 H THR 35 H THR 35 9.535 1.816 3.748 236 HA THR 35 HA THR 35 12.027 2.223 2.370 237 HB THR 35 HB THR 35 11.334 2.874 4.804 238 HG1 THR 35 HG1 THR 35 13.974 2.060 4.155 239 HG21 THR 35 HG21 THR 35 11.252 0.566 5.748 240 HG22 THR 35 HG22 THR 35 12.407 1.624 6.550 241 HG23 THR 35 HG23 THR 35 12.975 0.381 5.418 242 H LEU 36 H LEU 36 10.367 -0.699 3.300 243 HA LEU 36 HA LEU 36 12.711 -2.422 2.703 244 HB2 LEU 36 HB2 LEU 36 9.832 -3.079 3.428 245 HB3 LEU 36 HB3 LEU 36 11.106 -4.262 3.173 246 HG LEU 36 HG LEU 36 11.066 -2.159 5.396 247 HD11 LEU 36 HD11 LEU 36 10.723 -4.078 6.866 248 HD12 LEU 36 HD12 LEU 36 10.739 -5.183 5.471 249 HD13 LEU 36 HD13 LEU 36 9.429 -3.990 5.660 250 HD21 LEU 36 HD21 LEU 36 13.374 -2.561 4.822 251 HD22 LEU 36 HD22 LEU 36 13.102 -4.326 4.803 252 HD23 LEU 36 HD23 LEU 36 12.987 -3.408 6.326 253 H LEU 37 H LEU 37 9.884 -1.212 0.975 254 HA LEU 37 HA LEU 37 9.884 -3.033 -1.222 255 HB2 LEU 37 HB2 LEU 37 8.028 -1.568 -0.739 256 HB3 LEU 37 HB3 LEU 37 9.065 -0.142 -0.794 257 HG LEU 37 HG LEU 37 9.372 -0.546 -3.290 258 HD11 LEU 37 HD11 LEU 37 7.592 -1.883 -4.362 259 HD12 LEU 37 HD12 LEU 37 7.080 -2.480 -2.774 260 HD13 LEU 37 HD13 LEU 37 8.696 -2.895 -3.417 261 HD21 LEU 37 HD21 LEU 37 7.878 1.144 -2.350 262 HD22 LEU 37 HD22 LEU 37 6.594 -0.063 -2.158 263 HD23 LEU 37 HD23 LEU 37 7.163 0.402 -3.792 264 H THR 38 H THR 38 11.581 0.035 -0.676 265 HA THR 38 HA THR 38 13.067 1.261 -1.818 266 HB THR 38 HB THR 38 14.474 -1.352 -2.414 267 HG1 THR 38 HG1 THR 38 15.331 -1.141 -0.347 268 HG21 THR 38 HG21 THR 38 16.513 0.001 -1.978 269 HG22 THR 38 HG22 THR 38 15.510 1.429 -1.670 270 HG23 THR 38 HG23 THR 38 15.588 0.725 -3.297 271 HA PRO 39 HA PRO 39 11.809 0.920 -6.231 272 HB2 PRO 39 HB2 PRO 39 10.945 3.715 -5.782 273 HB3 PRO 39 HB3 PRO 39 10.088 2.383 -6.611 274 HG2 PRO 39 HG2 PRO 39 9.289 3.285 -4.144 275 HG3 PRO 39 HG3 PRO 39 9.220 1.552 -4.596 276 HD2 PRO 39 HD2 PRO 39 11.402 2.987 -3.027 277 HD3 PRO 39 HD3 PRO 39 10.533 1.479 -2.625 278 H ARG 40 H ARG 40 12.690 2.473 -7.946 279 HA ARG 40 HA ARG 40 15.498 2.840 -7.326 280 HB2 ARG 40 HB2 ARG 40 13.959 3.480 -9.876 281 HB3 ARG 40 HB3 ARG 40 15.710 3.425 -9.734 282 HG2 ARG 40 HG2 ARG 40 13.805 1.069 -9.399 283 HG3 ARG 40 HG3 ARG 40 14.892 1.385 -10.755 284 HD2 ARG 40 HD2 ARG 40 16.852 1.183 -9.173 285 HD3 ARG 40 HD3 ARG 40 15.722 0.762 -7.885 286 HE ARG 40 HE ARG 40 15.375 -1.342 -8.784 287 HH11 ARG 40 HH11 ARG 40 17.290 0.439 -11.111 288 HH12 ARG 40 HH12 ARG 40 17.779 -0.999 -11.952 289 HH21 ARG 40 HH21 ARG 40 16.051 -3.142 -9.882 290 HH22 ARG 40 HH22 ARG 40 17.103 -2.979 -11.253 291 H ARG 41 H ARG 41 12.946 5.169 -7.434 292 HA ARG 41 HA ARG 41 12.889 7.478 -7.252 293 HB2 ARG 41 HB2 ARG 41 14.834 6.525 -5.149 294 HB3 ARG 41 HB3 ARG 41 14.597 8.248 -5.352 295 HG2 ARG 41 HG2 ARG 41 13.191 7.526 -3.616 296 HG3 ARG 41 HG3 ARG 41 12.198 8.052 -4.979 297 HD2 ARG 41 HD2 ARG 41 11.729 5.732 -5.577 298 HD3 ARG 41 HD3 ARG 41 12.842 5.148 -4.338 299 HE ARG 41 HE ARG 41 11.335 5.754 -2.634 300 HH11 ARG 41 HH11 ARG 41 9.798 6.558 -5.747 301 HH12 ARG 41 HH12 ARG 41 8.244 6.701 -4.925 302 HH21 ARG 41 HH21 ARG 41 9.265 6.091 -1.825 303 HH22 ARG 41 HH22 ARG 41 7.987 6.518 -2.966 304 H GLY 42 H GLY 42 14.010 7.046 -9.591 305 HA2 GLY 42 HA2 GLY 42 16.499 8.493 -10.043 306 HA3 GLY 42 HA3 GLY 42 15.317 7.987 -11.248 307 H GLY 43 H GLY 43 16.544 10.441 -11.454 308 HA2 GLY 43 HA2 GLY 43 15.269 12.654 -10.208 309 HA3 GLY 43 HA3 GLY 43 16.204 12.709 -11.710 310 H GLY 44 H GLY 44 14.086 10.738 -12.851 311 HA2 GLY 44 HA2 GLY 44 11.647 12.394 -13.058 312 HA3 GLY 44 HA3 GLY 44 12.592 12.186 -14.538 313 H SER 45 H SER 45 12.486 9.493 -12.264 314 HA SER 45 HA SER 45 11.169 7.850 -14.313 315 HB2 SER 45 HB2 SER 45 11.940 5.964 -12.949 316 HB3 SER 45 HB3 SER 45 13.243 7.101 -13.302 317 HG SER 45 HG SER 45 11.833 6.712 -10.861 318 H GLY 46 H GLY 46 10.021 9.534 -11.590 319 HA2 GLY 46 HA2 GLY 46 7.370 8.451 -11.641 320 HA3 GLY 46 HA3 GLY 46 8.294 7.701 -10.328 321 H GLY 47 H GLY 47 6.998 8.600 -8.749 322 HA2 GLY 47 HA2 GLY 47 6.751 10.149 -6.988 323 HA3 GLY 47 HA3 GLY 47 7.520 11.400 -7.950 324 H GLY 48 H GLY 48 5.480 12.328 -6.684 325 HA2 GLY 48 HA2 GLY 48 3.452 13.457 -6.920 326 HA3 GLY 48 HA3 GLY 48 3.376 12.931 -8.606 327 H SER 49 H SER 49 1.341 12.109 -8.761 328 HA SER 49 HA SER 49 -0.100 10.635 -6.801 329 HB2 SER 49 HB2 SER 49 -0.406 10.566 -9.825 330 HB3 SER 49 HB3 SER 49 -1.605 10.030 -8.645 331 HG SER 49 HG SER 49 -1.993 12.183 -9.392 332 H MET 50 H MET 50 -0.510 8.460 -6.483 333 HA MET 50 HA MET 50 0.127 6.336 -6.085 334 HB2 MET 50 HB2 MET 50 0.350 6.320 -9.112 335 HB3 MET 50 HB3 MET 50 0.386 4.867 -8.106 336 HG2 MET 50 HG2 MET 50 -1.896 6.862 -8.141 337 HG3 MET 50 HG3 MET 50 -1.855 5.346 -9.034 338 HE1 MET 50 HE1 MET 50 -4.124 4.501 -8.071 339 HE2 MET 50 HE2 MET 50 -4.541 4.488 -6.350 340 HE3 MET 50 HE3 MET 50 -4.315 6.034 -7.187 341 H ASP 51 H ASP 51 2.078 7.959 -5.383 342 HA ASP 51 HA ASP 51 4.612 6.479 -5.793 343 HB2 ASP 51 HB2 ASP 51 4.578 8.897 -5.130 344 HB3 ASP 51 HB3 ASP 51 3.774 8.445 -3.628 345 H ALA 52 H ALA 52 5.490 5.157 -3.967 346 HA ALA 52 HA ALA 52 3.723 3.093 -3.231 347 HB1 ALA 52 HB1 ALA 52 6.158 2.844 -3.445 348 HB2 ALA 52 HB2 ALA 52 6.413 3.863 -2.005 349 HB3 ALA 52 HB3 ALA 52 5.613 2.287 -1.856 350 H LYS 53 H LYS 53 4.676 5.933 -1.324 351 HA LYS 53 HA LYS 53 3.517 5.287 1.172 352 HB2 LYS 53 HB2 LYS 53 5.040 7.184 0.729 353 HB3 LYS 53 HB3 LYS 53 3.817 7.966 -0.270 354 HG2 LYS 53 HG2 LYS 53 3.931 9.054 1.876 355 HG3 LYS 53 HG3 LYS 53 2.365 8.274 1.706 356 HD2 LYS 53 HD2 LYS 53 3.178 6.363 3.085 357 HD3 LYS 53 HD3 LYS 53 4.733 7.173 3.303 358 HE2 LYS 53 HE2 LYS 53 2.020 8.321 4.123 359 HE3 LYS 53 HE3 LYS 53 3.032 7.354 5.197 360 HZ1 LYS 53 HZ1 LYS 53 4.720 9.030 5.136 361 HZ2 LYS 53 HZ2 LYS 53 3.316 9.801 5.447 362 HZ3 LYS 53 HZ3 LYS 53 3.956 9.893 3.956 363 H GLU 54 H GLU 54 1.970 6.779 -1.674 364 HA GLU 54 HA GLU 54 -0.633 7.110 -0.415 365 HB2 GLU 54 HB2 GLU 54 0.176 8.501 -2.312 366 HB3 GLU 54 HB3 GLU 54 0.248 7.075 -3.338 367 HG2 GLU 54 HG2 GLU 54 -1.707 8.325 -3.898 368 HG3 GLU 54 HG3 GLU 54 -2.194 6.790 -3.199 369 H ILE 55 H ILE 55 0.858 4.676 -2.568 370 HA ILE 55 HA ILE 55 -1.480 3.113 -3.021 371 HB ILE 55 HB ILE 55 1.477 2.420 -3.120 372 HG12 ILE 55 HG12 ILE 55 -0.404 2.821 -5.467 373 HG13 ILE 55 HG13 ILE 55 0.380 4.203 -4.723 374 HG21 ILE 55 HG21 ILE 55 0.645 0.488 -4.605 375 HG22 ILE 55 HG22 ILE 55 0.374 0.327 -2.864 376 HG23 ILE 55 HG23 ILE 55 -0.956 0.796 -3.933 377 HD11 ILE 55 HD11 ILE 55 1.917 1.837 -5.863 378 HD12 ILE 55 HD12 ILE 55 1.654 3.381 -6.668 379 HD13 ILE 55 HD13 ILE 55 2.599 3.329 -5.175 380 H LEU 56 H LEU 56 1.136 2.639 -0.570 381 HA LEU 56 HA LEU 56 -0.082 0.345 0.654 382 HB2 LEU 56 HB2 LEU 56 1.996 2.374 1.498 383 HB3 LEU 56 HB3 LEU 56 1.270 1.361 2.729 384 HG LEU 56 HG LEU 56 3.231 0.304 2.250 385 HD11 LEU 56 HD11 LEU 56 1.321 -1.255 0.481 386 HD12 LEU 56 HD12 LEU 56 1.227 -1.219 2.260 387 HD13 LEU 56 HD13 LEU 56 2.677 -1.858 1.438 388 HD21 LEU 56 HD21 LEU 56 3.978 -0.350 -0.019 389 HD22 LEU 56 HD22 LEU 56 3.885 1.397 0.242 390 HD23 LEU 56 HD23 LEU 56 2.606 0.579 -0.692 391 H THR 57 H THR 57 -0.562 3.821 1.230 392 HA THR 57 HA THR 57 -2.151 3.552 3.594 393 HB THR 57 HB THR 57 -2.228 5.738 1.475 394 HG1 THR 57 HG1 THR 57 -0.250 5.698 2.431 395 HG21 THR 57 HG21 THR 57 -3.272 5.676 4.340 396 HG22 THR 57 HG22 THR 57 -4.258 5.848 2.872 397 HG23 THR 57 HG23 THR 57 -3.132 7.135 3.328 398 H ARG 58 H ARG 58 -3.147 3.624 0.142 399 HA ARG 58 HA ARG 58 -5.969 3.183 0.699 400 HB2 ARG 58 HB2 ARG 58 -4.333 2.665 -1.827 401 HB3 ARG 58 HB3 ARG 58 -6.104 2.617 -1.715 402 HG2 ARG 58 HG2 ARG 58 -6.172 4.987 -1.072 403 HG3 ARG 58 HG3 ARG 58 -4.405 5.084 -1.192 404 HD2 ARG 58 HD2 ARG 58 -4.585 4.366 -3.604 405 HD3 ARG 58 HD3 ARG 58 -6.357 4.464 -3.428 406 HE ARG 58 HE ARG 58 -4.768 6.866 -2.676 407 HH11 ARG 58 HH11 ARG 58 -6.825 5.523 -5.198 408 HH12 ARG 58 HH12 ARG 58 -7.019 7.093 -5.933 409 HH21 ARG 58 HH21 ARG 58 -5.070 8.682 -3.573 410 HH22 ARG 58 HH22 ARG 58 -6.045 8.892 -5.024 411 H PHE 59 H PHE 59 -3.270 0.933 0.033 412 HA PHE 59 HA PHE 59 -4.914 -1.416 -0.035 413 HB2 PHE 59 HB2 PHE 59 -2.675 -1.251 -1.049 414 HB3 PHE 59 HB3 PHE 59 -1.949 -1.056 0.546 415 HD1 PHE 59 HD1 PHE 59 -4.169 -3.438 -1.362 416 HD2 PHE 59 HD2 PHE 59 -1.135 -2.944 1.669 417 HE1 PHE 59 HE1 PHE 59 -4.062 -5.904 -1.060 418 HE2 PHE 59 HE2 PHE 59 -0.988 -5.398 1.915 419 HZ PHE 59 HZ PHE 59 -2.455 -6.889 0.566 420 H LYS 60 H LYS 60 -3.149 0.115 2.692 421 HA LYS 60 HA LYS 60 -3.859 -1.975 4.543 422 HB2 LYS 60 HB2 LYS 60 -1.903 -0.402 4.723 423 HB3 LYS 60 HB3 LYS 60 -3.030 0.869 5.209 424 HG2 LYS 60 HG2 LYS 60 -3.699 -0.470 7.170 425 HG3 LYS 60 HG3 LYS 60 -2.674 -1.815 6.615 426 HD2 LYS 60 HD2 LYS 60 -0.679 -0.282 6.802 427 HD3 LYS 60 HD3 LYS 60 -1.742 0.930 7.549 428 HE2 LYS 60 HE2 LYS 60 -1.336 -1.905 8.594 429 HE3 LYS 60 HE3 LYS 60 -0.372 -0.527 9.128 430 HZ1 LYS 60 HZ1 LYS 60 -2.426 0.535 9.905 431 HZ2 LYS 60 HZ2 LYS 60 -2.210 -0.911 10.632 432 HZ3 LYS 60 HZ3 LYS 60 -3.324 -0.755 9.444 433 H ASP 61 H ASP 61 -5.378 1.102 3.701 434 HA ASP 61 HA ASP 61 -7.506 0.965 5.653 435 HB2 ASP 61 HB2 ASP 61 -6.701 3.035 4.521 436 HB3 ASP 61 HB3 ASP 61 -7.327 2.420 2.984 437 H GLY 62 H GLY 62 -6.954 -0.899 2.841 438 HA2 GLY 62 HA2 GLY 62 -8.184 -2.674 2.012 439 HA3 GLY 62 HA3 GLY 62 -9.552 -2.232 3.029 440 H GLY 63 H GLY 63 -8.447 0.454 1.230 441 HA2 GLY 63 HA2 GLY 63 -10.762 0.482 -0.582 442 HA3 GLY 63 HA3 GLY 63 -9.523 1.723 -0.403 443 H LEU 64 H LEU 64 -7.542 -0.708 -0.781 444 HA LEU 64 HA LEU 64 -7.689 -0.926 -3.757 445 HB2 LEU 64 HB2 LEU 64 -5.863 0.582 -2.645 446 HB3 LEU 64 HB3 LEU 64 -5.130 -0.935 -2.141 447 HG LEU 64 HG LEU 64 -4.991 -1.584 -4.584 448 HD11 LEU 64 HD11 LEU 64 -5.157 0.292 -6.224 449 HD12 LEU 64 HD12 LEU 64 -5.808 1.331 -4.947 450 HD13 LEU 64 HD13 LEU 64 -6.729 -0.083 -5.523 451 HD21 LEU 64 HD21 LEU 64 -3.092 -0.085 -5.048 452 HD22 LEU 64 HD22 LEU 64 -3.071 -0.574 -3.351 453 HD23 LEU 64 HD23 LEU 64 -3.646 1.045 -3.800 454 H ASP 65 H ASP 65 -7.260 -2.928 -4.667 455 HA ASP 65 HA ASP 65 -7.231 -5.282 -2.869 456 HB2 ASP 65 HB2 ASP 65 -7.431 -5.224 -5.883 457 HB3 ASP 65 HB3 ASP 65 -7.735 -6.593 -4.820 458 H ARG 66 H ARG 66 -5.727 -7.072 -3.238 459 HA ARG 66 HA ARG 66 -3.009 -6.222 -3.167 460 HB2 ARG 66 HB2 ARG 66 -3.918 -8.282 -2.113 461 HB3 ARG 66 HB3 ARG 66 -4.137 -9.008 -3.712 462 HG2 ARG 66 HG2 ARG 66 -1.682 -8.869 -4.097 463 HG3 ARG 66 HG3 ARG 66 -1.469 -8.139 -2.504 464 HD2 ARG 66 HD2 ARG 66 -2.672 -10.891 -3.002 465 HD3 ARG 66 HD3 ARG 66 -0.965 -10.589 -2.679 466 HE ARG 66 HE ARG 66 -3.174 -9.925 -0.747 467 HH11 ARG 66 HH22 ARG 66 0.039 -11.358 -1.207 468 HH12 ARG 66 HH21 ARG 66 0.308 -11.356 0.525 469 HH21 ARG 66 HH11 ARG 66 -2.748 -10.240 1.431 470 HH22 ARG 66 HH12 ARG 66 -1.205 -10.963 1.868 471 H ALA 67 H ALA 67 -4.831 -7.598 -5.907 472 HA ALA 67 HA ALA 67 -2.642 -7.826 -7.717 473 HB1 ALA 67 HB1 ALA 67 -5.609 -7.318 -8.253 474 HB2 ALA 67 HB2 ALA 67 -4.413 -7.911 -9.439 475 HB3 ALA 67 HB3 ALA 67 -4.838 -8.909 -8.036 476 H ALA 68 H ALA 68 -4.803 -5.055 -7.027 477 HA ALA 68 HA ALA 68 -3.583 -3.300 -9.012 478 HB1 ALA 68 HB1 ALA 68 -5.397 -2.699 -6.640 479 HB2 ALA 68 HB2 ALA 68 -4.974 -1.573 -7.945 480 HB3 ALA 68 HB3 ALA 68 -5.915 -3.028 -8.304 481 H ALA 69 H ALA 69 -3.130 -3.787 -5.455 482 HA ALA 69 HA ALA 69 -1.225 -1.689 -5.118 483 HB1 ALA 69 HB1 ALA 69 -1.432 -4.334 -3.599 484 HB2 ALA 69 HB2 ALA 69 -0.631 -2.844 -3.049 485 HB3 ALA 69 HB3 ALA 69 -2.398 -2.878 -3.269 486 H GLN 70 H GLN 70 -0.666 -5.173 -5.892 487 HA GLN 70 HA GLN 70 2.167 -5.018 -6.150 488 HB2 GLN 70 HB2 GLN 70 0.080 -6.797 -7.480 489 HB3 GLN 70 HB3 GLN 70 1.822 -7.009 -7.720 490 HG2 GLN 70 HG2 GLN 70 2.187 -7.365 -5.330 491 HG3 GLN 70 HG3 GLN 70 0.488 -7.061 -4.984 492 HE21 GLN 70 HE21 GLN 70 1.692 -9.408 -4.115 493 HE22 GLN 70 HE22 GLN 70 1.029 -10.753 -5.034 494 H ALA 71 H ALA 71 -0.373 -4.474 -8.653 495 HA ALA 71 HA ALA 71 1.378 -3.968 -10.828 496 HB1 ALA 71 HB1 ALA 71 -1.022 -4.393 -11.072 497 HB2 ALA 71 HB2 ALA 71 -1.409 -2.855 -10.251 498 HB3 ALA 71 HB3 ALA 71 -0.586 -2.848 -11.817 499 H LEU 72 H LEU 72 -0.232 -1.551 -8.687 500 HA LEU 72 HA LEU 72 1.032 0.724 -9.824 501 HB2 LEU 72 HB2 LEU 72 -0.469 0.111 -7.258 502 HB3 LEU 72 HB3 LEU 72 0.231 1.689 -7.516 503 HG LEU 72 HG LEU 72 -1.194 2.340 -9.115 504 HD11 LEU 72 HD11 LEU 72 -1.999 -0.481 -9.841 505 HD12 LEU 72 HD12 LEU 72 -1.001 0.631 -10.807 506 HD13 LEU 72 HD13 LEU 72 -2.682 1.027 -10.492 507 HD21 LEU 72 HD21 LEU 72 -2.403 1.877 -6.981 508 HD22 LEU 72 HD22 LEU 72 -2.908 0.307 -7.658 509 HD23 LEU 72 HD23 LEU 72 -3.459 1.818 -8.409 510 H LEU 73 H LEU 73 2.082 -1.284 -7.022 511 HA LEU 73 HA LEU 73 4.349 0.424 -6.408 512 HB2 LEU 73 HB2 LEU 73 3.750 -2.500 -5.807 513 HB3 LEU 73 HB3 LEU 73 5.172 -1.666 -5.226 514 HG LEU 73 HG LEU 73 2.302 -0.920 -4.556 515 HD11 LEU 73 HD11 LEU 73 4.471 -2.190 -2.849 516 HD12 LEU 73 HD12 LEU 73 3.025 -3.003 -3.490 517 HD13 LEU 73 HD13 LEU 73 2.847 -1.710 -2.298 518 HD21 LEU 73 HD21 LEU 73 3.259 0.596 -2.878 519 HD22 LEU 73 HD22 LEU 73 3.677 1.100 -4.507 520 HD23 LEU 73 HD23 LEU 73 4.876 0.270 -3.524 521 H ALA 74 H ALA 74 3.945 -2.319 -8.625 522 HA ALA 74 HA ALA 74 6.728 -2.290 -9.457 523 HB1 ALA 74 HB1 ALA 74 5.359 -4.325 -9.475 524 HB2 ALA 74 HB2 ALA 74 4.301 -3.613 -10.716 525 HB3 ALA 74 HB3 ALA 74 6.008 -3.956 -11.083 526 H GLY 75 H GLY 75 4.342 -0.025 -10.064 527 HA2 GLY 75 HA2 GLY 75 4.356 1.816 -11.455 528 HA3 GLY 75 HA3 GLY 75 5.808 1.212 -12.251 529 H ARG 76 H ARG 76 3.024 -0.871 -12.080 530 HA ARG 76 HA ARG 76 2.463 -0.604 -15.021 531 HB2 ARG 76 HB2 ARG 76 2.296 -3.007 -13.138 532 HB3 ARG 76 HB3 ARG 76 1.761 -3.006 -14.819 533 HG2 ARG 76 HG2 ARG 76 4.053 -2.531 -15.585 534 HG3 ARG 76 HG3 ARG 76 4.628 -2.473 -13.914 535 HD2 ARG 76 HD2 ARG 76 4.042 -4.809 -13.558 536 HD3 ARG 76 HD3 ARG 76 3.352 -4.923 -15.183 537 HE ARG 76 HE ARG 76 6.214 -4.859 -14.406 538 HH11 ARG 76 HH11 ARG 76 3.988 -4.778 -17.143 539 HH12 ARG 76 HH12 ARG 76 5.273 -5.076 -18.283 540 HH21 ARG 76 HH21 ARG 76 7.767 -5.180 -15.915 541 HH22 ARG 76 HH22 ARG 76 7.351 -5.345 -17.610 542 H THR 77 H THR 77 0.237 -1.126 -15.683 543 HA THR 77 HA THR 77 -1.738 0.157 -13.953 544 HB THR 77 HB THR 77 -3.331 -0.399 -15.838 545 HG1 THR 77 HG1 THR 77 -2.344 -0.986 -17.792 546 HG21 THR 77 HG21 THR 77 -2.214 1.809 -15.627 547 HG22 THR 77 HG22 THR 77 -2.425 1.335 -17.324 548 HG23 THR 77 HG23 THR 77 -0.828 1.198 -16.551 549 HA PRO 78 HA PRO 78 -3.393 -3.388 -11.920 550 HB2 PRO 78 HB2 PRO 78 -6.134 -2.302 -12.596 551 HB3 PRO 78 HB3 PRO 78 -5.512 -2.898 -11.020 552 HG2 PRO 78 HG2 PRO 78 -5.648 -0.252 -11.469 553 HG3 PRO 78 HG3 PRO 78 -4.180 -0.956 -10.711 554 HD2 PRO 78 HD2 PRO 78 -4.621 -0.170 -13.609 555 HD3 PRO 78 HD3 PRO 78 -3.227 0.180 -12.548 556 H ALA 79 H ALA 79 -4.482 -5.384 -12.147 557 HA ALA 79 HA ALA 79 -4.498 -6.432 -14.843 558 HB1 ALA 79 HB1 ALA 79 -5.016 -7.764 -12.154 559 HB2 ALA 79 HB2 ALA 79 -4.674 -8.590 -13.694 560 HB3 ALA 79 HB3 ALA 79 -3.435 -7.579 -12.943 561 H ALA 80 H ALA 80 -6.584 -4.596 -14.748 562 HA ALA 80 HA ALA 80 -9.169 -5.848 -14.323 563 HB1 ALA 80 HB1 ALA 80 -8.358 -3.359 -15.885 564 HB2 ALA 80 HB2 ALA 80 -10.014 -3.813 -15.454 565 HB3 ALA 80 HB3 ALA 80 -8.852 -3.405 -14.176 566 H ALA 81 H ALA 81 -10.622 -6.612 -15.825 567 HA ALA 81 HA ALA 81 -10.007 -6.616 -18.686 568 HB1 ALA 81 HB1 ALA 81 -8.910 -8.694 -17.939 569 HB2 ALA 81 HB2 ALA 81 -10.412 -9.227 -17.163 570 HB3 ALA 81 HB3 ALA 81 -10.334 -9.067 -18.924 571 HA PRO 82 HA PRO 82 -14.564 -6.484 -18.675 572 HB2 PRO 82 HB2 PRO 82 -15.086 -6.755 -21.331 573 HB3 PRO 82 HB3 PRO 82 -14.305 -5.297 -20.658 574 HG2 PRO 82 HG2 PRO 82 -12.959 -7.682 -21.963 575 HG3 PRO 82 HG3 PRO 82 -12.707 -5.940 -22.309 576 HD2 PRO 82 HD2 PRO 82 -11.074 -7.358 -20.635 577 HD3 PRO 82 HD3 PRO 82 -11.446 -5.638 -20.338 578 H ARG 83 H ARG 83 -14.173 -8.490 -17.384 579 HA ARG 83 HA ARG 83 -15.179 -11.000 -18.654 580 HB2 ARG 83 HB2 ARG 83 -12.626 -10.842 -18.585 581 HB3 ARG 83 HB3 ARG 83 -12.754 -10.787 -16.823 582 HG2 ARG 83 HG2 ARG 83 -14.023 -13.062 -17.048 583 HG3 ARG 83 HG3 ARG 83 -13.433 -13.059 -18.719 584 HD2 ARG 83 HD2 ARG 83 -11.100 -12.840 -17.796 585 HD3 ARG 83 HD3 ARG 83 -11.766 -12.920 -16.161 586 HE ARG 83 HE ARG 83 -11.319 -15.117 -18.006 587 HH11 ARG 83 HH11 ARG 83 -13.413 -14.279 -15.239 588 HH12 ARG 83 HH12 ARG 83 -13.503 -15.945 -14.769 589 HH21 ARG 83 HH21 ARG 83 -11.586 -17.193 -17.310 590 HH22 ARG 83 HH22 ARG 83 -12.571 -17.534 -15.910 591 HA PRO 84 HA PRO 84 -17.402 -11.420 -14.655 592 HB2 PRO 84 HB2 PRO 84 -17.024 -14.343 -15.306 593 HB3 PRO 84 HB3 PRO 84 -18.480 -13.499 -14.689 594 HG2 PRO 84 HG2 PRO 84 -18.316 -14.154 -17.307 595 HG3 PRO 84 HG3 PRO 84 -18.917 -12.525 -16.840 596 HD2 PRO 84 HD2 PRO 84 -16.145 -13.304 -17.773 597 HD3 PRO 84 HD3 PRO 84 -17.160 -11.918 -18.272 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 28.285 -7.287 -10.256 2 H2 GLY 1 H2 GLY 1 28.088 -7.027 -8.648 3 H3 GLY 1 H3 GLY 1 28.538 -8.504 -9.175 4 HA2 GLY 1 HA2 GLY 1 30.647 -7.667 -9.952 5 HA3 GLY 1 HA3 GLY 1 30.151 -6.039 -9.448 6 HA PRO 2 HA PRO 2 31.228 -8.839 -5.649 7 HB2 PRO 2 HB2 PRO 2 33.650 -10.081 -5.827 8 HB3 PRO 2 HB3 PRO 2 32.143 -10.774 -6.507 9 HG2 PRO 2 HG2 PRO 2 34.269 -9.158 -7.972 10 HG3 PRO 2 HG3 PRO 2 33.571 -10.755 -8.429 11 HD2 PRO 2 HD2 PRO 2 32.623 -8.416 -9.460 12 HD3 PRO 2 HD3 PRO 2 31.519 -9.774 -9.065 13 H GLY 3 H GLY 3 33.346 -6.696 -7.416 14 HA2 GLY 3 HA2 GLY 3 34.194 -5.327 -4.912 15 HA3 GLY 3 HA3 GLY 3 35.399 -5.766 -6.120 16 H SER 4 H SER 4 32.174 -4.751 -7.090 17 HA SER 4 HA SER 4 33.016 -2.009 -7.820 18 HB2 SER 4 HB2 SER 4 32.293 -2.375 -10.162 19 HB3 SER 4 HB3 SER 4 33.748 -3.269 -9.725 20 HG SER 4 HG SER 4 32.310 -4.598 -10.869 21 H TYR 5 H TYR 5 31.325 -0.618 -8.421 22 HA TYR 5 HA TYR 5 28.772 -1.215 -7.103 23 HB2 TYR 5 HB2 TYR 5 29.939 0.910 -6.707 24 HB3 TYR 5 HB3 TYR 5 29.811 1.314 -8.411 25 HD1 TYR 5 HD1 TYR 5 27.814 0.668 -5.309 26 HD2 TYR 5 HD2 TYR 5 27.830 2.334 -9.289 27 HE1 TYR 5 HE1 TYR 5 25.590 1.695 -4.882 28 HE2 TYR 5 HE2 TYR 5 25.609 3.380 -8.859 29 HH TYR 5 HH TYR 5 23.900 3.676 -7.362 30 H THR 6 H THR 6 26.752 -1.216 -8.016 31 HA THR 6 HA THR 6 26.256 -0.596 -10.797 32 HB THR 6 HB THR 6 27.138 -2.935 -10.930 33 HG1 THR 6 HG1 THR 6 25.865 -2.361 -12.556 34 HG21 THR 6 HG21 THR 6 25.743 -4.816 -10.272 35 HG22 THR 6 HG22 THR 6 24.554 -3.739 -9.512 36 HG23 THR 6 HG23 THR 6 26.191 -3.888 -8.834 37 H GLY 7 H GLY 7 23.941 -0.676 -11.320 38 HA2 GLY 7 HA2 GLY 7 22.238 0.231 -9.122 39 HA3 GLY 7 HA3 GLY 7 21.798 0.110 -10.829 40 H ALA 8 H ALA 8 20.124 -0.612 -8.670 41 HA ALA 8 HA ALA 8 20.102 -3.524 -8.360 42 HB1 ALA 8 HB1 ALA 8 18.157 -3.079 -6.921 43 HB2 ALA 8 HB2 ALA 8 19.516 -2.028 -6.495 44 HB3 ALA 8 HB3 ALA 8 18.151 -1.375 -7.432 45 H GLY 9 H GLY 9 18.395 -4.909 -8.969 46 HA2 GLY 9 HA2 GLY 9 17.104 -4.411 -11.572 47 HA3 GLY 9 HA3 GLY 9 17.053 -5.887 -10.597 48 H GLU 10 H GLU 10 14.773 -5.328 -11.741 49 HA GLU 10 HA GLU 10 12.968 -3.674 -10.145 50 HB2 GLU 10 HB2 GLU 10 12.443 -5.774 -12.284 51 HB3 GLU 10 HB3 GLU 10 11.199 -4.779 -11.513 52 HG2 GLU 10 HG2 GLU 10 12.284 -2.728 -12.364 53 HG3 GLU 10 HG3 GLU 10 13.548 -3.696 -13.137 54 HA PRO 11 HA PRO 11 11.997 -6.790 -7.074 55 HB2 PRO 11 HB2 PRO 11 9.585 -5.935 -6.122 56 HB3 PRO 11 HB3 PRO 11 11.107 -5.056 -5.800 57 HG2 PRO 11 HG2 PRO 11 9.043 -4.494 -7.954 58 HG3 PRO 11 HG3 PRO 11 9.792 -3.328 -6.813 59 HD2 PRO 11 HD2 PRO 11 10.717 -3.659 -9.364 60 HD3 PRO 11 HD3 PRO 11 11.825 -3.332 -7.995 61 H SER 12 H SER 12 10.795 -8.732 -6.868 62 HA SER 12 HA SER 12 9.199 -9.563 -9.193 63 HB2 SER 12 HB2 SER 12 10.752 -11.132 -8.169 64 HB3 SER 12 HB3 SER 12 9.875 -11.042 -6.629 65 HG SER 12 HG SER 12 9.319 -12.845 -8.086 66 H GLN 13 H GLN 13 7.012 -10.156 -9.162 67 HA GLN 13 HA GLN 13 5.174 -8.808 -7.426 68 HB2 GLN 13 HB2 GLN 13 3.480 -10.240 -8.410 69 HB3 GLN 13 HB3 GLN 13 4.557 -9.584 -9.643 70 HG2 GLN 13 HG2 GLN 13 5.785 -11.759 -9.715 71 HG3 GLN 13 HG3 GLN 13 4.668 -12.402 -8.500 72 HE21 GLN 13 HE21 GLN 13 4.687 -13.961 -10.628 73 HE22 GLN 13 HE22 GLN 13 3.342 -13.634 -11.705 74 H ALA 14 H ALA 14 6.977 -11.795 -6.993 75 HA ALA 14 HA ALA 14 5.331 -12.739 -4.772 76 HB1 ALA 14 HB1 ALA 14 6.545 -14.262 -6.276 77 HB2 ALA 14 HB2 ALA 14 8.092 -13.572 -5.745 78 HB3 ALA 14 HB3 ALA 14 7.080 -14.463 -4.592 79 H ASP 15 H ASP 15 8.211 -10.700 -5.082 80 HA ASP 15 HA ASP 15 8.849 -10.642 -2.234 81 HB2 ASP 15 HB2 ASP 15 9.507 -8.498 -4.276 82 HB3 ASP 15 HB3 ASP 15 10.262 -8.766 -2.715 83 H LEU 16 H LEU 16 6.935 -8.743 -4.437 84 HA LEU 16 HA LEU 16 6.017 -6.775 -2.547 85 HB2 LEU 16 HB2 LEU 16 4.916 -7.769 -5.214 86 HB3 LEU 16 HB3 LEU 16 4.188 -6.435 -4.329 87 HG LEU 16 HG LEU 16 7.124 -6.389 -5.133 88 HD11 LEU 16 HD11 LEU 16 5.789 -6.634 -7.192 89 HD12 LEU 16 HD12 LEU 16 6.455 -5.006 -7.058 90 HD13 LEU 16 HD13 LEU 16 4.741 -5.295 -6.678 91 HD21 LEU 16 HD21 LEU 16 6.762 -3.935 -4.953 92 HD22 LEU 16 HD22 LEU 16 6.475 -4.763 -3.417 93 HD23 LEU 16 HD23 LEU 16 5.093 -4.250 -4.415 94 H ASP 17 H ASP 17 4.436 -9.807 -3.734 95 HA ASP 17 HA ASP 17 2.131 -9.666 -2.131 96 HB2 ASP 17 HB2 ASP 17 2.563 -11.329 -3.941 97 HB3 ASP 17 HB3 ASP 17 3.793 -12.104 -2.959 98 H ALA 18 H ALA 18 5.361 -10.935 -1.229 99 HA ALA 18 HA ALA 18 4.623 -11.918 1.367 100 HB1 ALA 18 HB1 ALA 18 7.053 -11.976 1.738 101 HB2 ALA 18 HB2 ALA 18 6.636 -12.639 0.150 102 HB3 ALA 18 HB3 ALA 18 7.330 -11.003 0.279 103 H LEU 19 H LEU 19 5.995 -8.777 0.308 104 HA LEU 19 HA LEU 19 6.206 -7.591 2.911 105 HB2 LEU 19 HB2 LEU 19 7.335 -6.837 0.779 106 HB3 LEU 19 HB3 LEU 19 5.786 -6.352 0.147 107 HG LEU 19 HG LEU 19 5.698 -4.848 2.378 108 HD11 LEU 19 HD11 LEU 19 7.859 -5.742 3.270 109 HD12 LEU 19 HD12 LEU 19 7.933 -4.001 2.958 110 HD13 LEU 19 HD13 LEU 19 8.685 -5.138 1.819 111 HD21 LEU 19 HD21 LEU 19 5.552 -4.008 0.108 112 HD22 LEU 19 HD22 LEU 19 7.314 -4.178 -0.103 113 HD23 LEU 19 HD23 LEU 19 6.656 -3.010 1.068 114 H LEU 20 H LEU 20 3.690 -7.413 0.396 115 HA LEU 20 HA LEU 20 1.954 -5.584 1.687 116 HB2 LEU 20 HB2 LEU 20 1.564 -7.701 -0.437 117 HB3 LEU 20 HB3 LEU 20 0.274 -6.586 -0.000 118 HG LEU 20 HG LEU 20 2.984 -5.548 -0.923 119 HD11 LEU 20 HD11 LEU 20 0.524 -6.047 -2.654 120 HD12 LEU 20 HD12 LEU 20 2.025 -6.991 -2.712 121 HD13 LEU 20 HD13 LEU 20 2.054 -5.279 -3.152 122 HD21 LEU 20 HD21 LEU 20 1.666 -3.552 -1.476 123 HD22 LEU 20 HD22 LEU 20 1.478 -3.964 0.244 124 HD23 LEU 20 HD23 LEU 20 0.191 -4.373 -0.916 125 H SER 21 H SER 21 1.915 -9.198 1.676 126 HA SER 21 HA SER 21 -0.508 -9.540 3.097 127 HB2 SER 21 HB2 SER 21 1.983 -11.292 3.098 128 HB3 SER 21 HB3 SER 21 0.395 -11.764 3.723 129 HG SER 21 HG SER 21 1.169 -11.208 1.060 130 H ALA 22 H ALA 22 2.669 -8.617 4.368 131 HA ALA 22 HA ALA 22 1.903 -9.120 7.139 132 HB1 ALA 22 HB1 ALA 22 4.291 -7.654 5.970 133 HB2 ALA 22 HB2 ALA 22 4.103 -8.231 7.646 134 HB3 ALA 22 HB3 ALA 22 4.205 -9.393 6.318 135 H VAL 23 H VAL 23 1.810 -6.274 4.958 136 HA VAL 23 HA VAL 23 1.137 -4.489 7.226 137 HB VAL 23 HB VAL 23 2.512 -3.499 5.588 138 HG11 VAL 23 HG11 VAL 23 2.045 -4.831 3.670 139 HG12 VAL 23 HG12 VAL 23 0.418 -4.110 3.501 140 HG13 VAL 23 HG13 VAL 23 1.890 -3.129 3.286 141 HG21 VAL 23 HG21 VAL 23 -0.254 -2.311 5.133 142 HG22 VAL 23 HG22 VAL 23 0.726 -2.035 6.591 143 HG23 VAL 23 HG23 VAL 23 1.315 -1.504 5.008 144 H ARG 24 H ARG 24 -0.610 -6.151 4.649 145 HA ARG 24 HA ARG 24 -3.228 -5.116 5.230 146 HB2 ARG 24 HB2 ARG 24 -2.406 -6.489 3.226 147 HB3 ARG 24 HB3 ARG 24 -2.490 -7.911 4.249 148 HG2 ARG 24 HG2 ARG 24 -4.430 -7.824 2.859 149 HG3 ARG 24 HG3 ARG 24 -4.951 -7.522 4.509 150 HD2 ARG 24 HD2 ARG 24 -5.267 -5.148 4.045 151 HD3 ARG 24 HD3 ARG 24 -4.418 -5.298 2.493 152 HE ARG 24 HE ARG 24 -6.834 -6.964 2.834 153 HH11 ARG 24 HH11 ARG 24 -5.731 -3.899 1.509 154 HH12 ARG 24 HH12 ARG 24 -6.794 -4.023 0.130 155 HH21 ARG 24 HH21 ARG 24 -8.302 -6.930 1.172 156 HH22 ARG 24 HH22 ARG 24 -8.330 -5.581 0.078 157 H ASP 25 H ASP 25 -1.254 -7.461 6.874 158 HA ASP 25 HA ASP 25 -3.424 -8.250 8.738 159 HB2 ASP 25 HB2 ASP 25 -1.978 -9.950 7.584 160 HB3 ASP 25 HB3 ASP 25 -0.590 -9.314 8.472 161 H ASN 26 H ASN 26 -1.637 -5.619 8.578 162 HA ASN 26 HA ASN 26 -0.931 -4.033 9.963 163 HB2 ASN 26 HB2 ASN 26 -2.575 -5.453 12.072 164 HB3 ASN 26 HB3 ASN 26 -2.096 -3.769 12.100 165 HD21 ASN 26 HD21 ASN 26 -4.605 -5.859 11.250 166 HD22 ASN 26 HD22 ASN 26 -5.485 -4.752 10.204 167 H ARG 27 H ARG 27 0.756 -6.519 9.849 168 HA ARG 27 HA ARG 27 2.346 -6.209 12.364 169 HB2 ARG 27 HB2 ARG 27 2.215 -8.416 10.294 170 HB3 ARG 27 HB3 ARG 27 3.528 -8.284 11.484 171 HG2 ARG 27 HG2 ARG 27 1.802 -8.119 13.320 172 HG3 ARG 27 HG3 ARG 27 0.552 -8.494 12.133 173 HD2 ARG 27 HD2 ARG 27 2.965 -10.257 12.725 174 HD3 ARG 27 HD3 ARG 27 1.405 -10.399 13.528 175 HE ARG 27 HE ARG 27 0.399 -10.787 11.206 176 HH11 ARG 27 HH11 ARG 27 3.723 -11.829 11.782 177 HH12 ARG 27 HH12 ARG 27 3.603 -13.056 10.550 178 HH21 ARG 27 HH21 ARG 27 0.312 -12.279 9.804 179 HH22 ARG 27 HH22 ARG 27 1.679 -13.344 9.436 180 H LEU 28 H LEU 28 2.381 -5.091 9.169 181 HA LEU 28 HA LEU 28 5.172 -4.098 9.518 182 HB2 LEU 28 HB2 LEU 28 4.686 -5.970 7.757 183 HB3 LEU 28 HB3 LEU 28 3.889 -4.724 6.840 184 HG LEU 28 HG LEU 28 6.057 -5.081 5.951 185 HD11 LEU 28 HD11 LEU 28 6.458 -2.570 7.531 186 HD12 LEU 28 HD12 LEU 28 5.302 -2.695 6.196 187 HD13 LEU 28 HD13 LEU 28 7.041 -2.976 5.908 188 HD21 LEU 28 HD21 LEU 28 8.140 -4.835 7.214 189 HD22 LEU 28 HD22 LEU 28 7.130 -6.100 7.942 190 HD23 LEU 28 HD23 LEU 28 7.237 -4.493 8.703 191 H SER 29 H SER 29 5.389 -1.868 9.209 192 HA SER 29 HA SER 29 2.906 -0.290 9.250 193 HB2 SER 29 HB2 SER 29 5.779 0.650 9.474 194 HB3 SER 29 HB3 SER 29 4.322 1.555 9.902 195 HG SER 29 HG SER 29 3.919 0.042 11.566 196 H ILE 30 H ILE 30 2.558 1.618 7.947 197 HA ILE 30 HA ILE 30 2.838 1.357 5.117 198 HB ILE 30 HB ILE 30 2.498 3.873 6.827 199 HG12 ILE 30 HG12 ILE 30 0.704 2.266 7.329 200 HG13 ILE 30 HG13 ILE 30 0.123 3.716 6.532 201 HG21 ILE 30 HG21 ILE 30 2.000 3.442 3.858 202 HG22 ILE 30 HG22 ILE 30 1.395 4.829 4.787 203 HG23 ILE 30 HG23 ILE 30 3.130 4.567 4.634 204 HD11 ILE 30 HD11 ILE 30 -0.059 2.509 4.391 205 HD12 ILE 30 HD12 ILE 30 0.516 1.011 5.192 206 HD13 ILE 30 HD13 ILE 30 -1.017 1.789 5.662 207 H GLU 31 H GLU 31 4.725 3.474 7.343 208 HA GLU 31 HA GLU 31 6.488 4.450 5.324 209 HB2 GLU 31 HB2 GLU 31 6.892 4.262 8.343 210 HB3 GLU 31 HB3 GLU 31 7.871 5.238 7.238 211 HG2 GLU 31 HG2 GLU 31 5.919 6.610 6.661 212 HG3 GLU 31 HG3 GLU 31 4.862 5.603 7.650 213 H GLN 32 H GLN 32 6.678 1.559 7.368 214 HA GLN 32 HA GLN 32 9.427 0.919 6.693 215 HB2 GLN 32 HB2 GLN 32 7.145 -0.528 8.032 216 HB3 GLN 32 HB3 GLN 32 8.650 -1.362 7.676 217 HG2 GLN 32 HG2 GLN 32 8.422 1.181 9.366 218 HG3 GLN 32 HG3 GLN 32 8.472 -0.460 10.005 219 HE21 GLN 32 HE21 GLN 32 10.508 -1.807 9.332 220 HE22 GLN 32 HE22 GLN 32 12.006 -0.892 9.288 221 H ALA 33 H ALA 33 6.197 -0.153 5.421 222 HA ALA 33 HA ALA 33 7.335 -1.939 3.486 223 HB1 ALA 33 HB1 ALA 33 4.673 -0.503 3.700 224 HB2 ALA 33 HB2 ALA 33 5.050 -1.655 2.400 225 HB3 ALA 33 HB3 ALA 33 5.036 -2.210 4.082 226 H VAL 34 H VAL 34 6.832 1.585 3.393 227 HA VAL 34 HA VAL 34 7.592 1.834 0.585 228 HB VAL 34 HB VAL 34 7.551 3.874 2.836 229 HG11 VAL 34 HG11 VAL 34 8.022 4.234 -0.162 230 HG12 VAL 34 HG12 VAL 34 7.687 5.555 0.974 231 HG13 VAL 34 HG13 VAL 34 9.177 4.602 1.125 232 HG21 VAL 34 HG21 VAL 34 5.678 3.461 0.476 233 HG22 VAL 34 HG22 VAL 34 5.303 3.048 2.159 234 HG23 VAL 34 HG23 VAL 34 5.566 4.731 1.723 235 H THR 35 H THR 35 9.380 2.185 3.733 236 HA THR 35 HA THR 35 11.778 2.854 2.362 237 HB THR 35 HB THR 35 11.069 3.297 4.799 238 HG1 THR 35 HG1 THR 35 13.766 2.691 4.275 239 HG21 THR 35 HG21 THR 35 12.964 1.007 5.384 240 HG22 THR 35 HG22 THR 35 11.214 0.777 5.409 241 HG23 THR 35 HG23 THR 35 11.933 1.952 6.489 242 H LEU 36 H LEU 36 10.524 -0.317 3.168 243 HA LEU 36 HA LEU 36 12.987 -1.713 2.427 244 HB2 LEU 36 HB2 LEU 36 10.151 -2.698 2.878 245 HB3 LEU 36 HB3 LEU 36 11.566 -3.727 2.628 246 HG LEU 36 HG LEU 36 11.163 -1.840 5.003 247 HD11 LEU 36 HD11 LEU 36 10.940 -3.898 6.300 248 HD12 LEU 36 HD12 LEU 36 11.094 -4.872 4.815 249 HD13 LEU 36 HD13 LEU 36 9.695 -3.799 5.047 250 HD21 LEU 36 HD21 LEU 36 13.438 -3.741 4.369 251 HD22 LEU 36 HD22 LEU 36 13.148 -2.970 5.953 252 HD23 LEU 36 HD23 LEU 36 13.513 -1.968 4.544 253 H LEU 37 H LEU 37 10.314 -0.404 0.634 254 HA LEU 37 HA LEU 37 10.905 -1.917 -1.829 255 HB2 LEU 37 HB2 LEU 37 8.625 -1.102 -1.305 256 HB3 LEU 37 HB3 LEU 37 9.218 0.546 -1.262 257 HG LEU 37 HG LEU 37 9.980 0.117 -3.751 258 HD11 LEU 37 HD11 LEU 37 7.776 -1.960 -3.394 259 HD12 LEU 37 HD12 LEU 37 9.488 -2.313 -3.776 260 HD13 LEU 37 HD13 LEU 37 8.477 -1.424 -4.938 261 HD21 LEU 37 HD21 LEU 37 8.297 1.723 -3.124 262 HD22 LEU 37 HD22 LEU 37 7.115 0.429 -2.833 263 HD23 LEU 37 HD23 LEU 37 7.674 0.779 -4.490 264 H THR 38 H THR 38 11.218 1.453 -0.688 265 HA THR 38 HA THR 38 13.735 1.885 -2.191 266 HB THR 38 HB THR 38 11.345 3.765 -2.341 267 HG1 THR 38 HG1 THR 38 11.381 3.201 -4.537 268 HG21 THR 38 HG21 THR 38 13.467 5.000 -2.396 269 HG22 THR 38 HG22 THR 38 12.733 4.995 -3.998 270 HG23 THR 38 HG23 THR 38 14.101 3.910 -3.652 271 HA PRO 39 HA PRO 39 14.291 3.149 2.033 272 HB2 PRO 39 HB2 PRO 39 16.870 4.124 2.007 273 HB3 PRO 39 HB3 PRO 39 16.431 2.395 1.944 274 HG2 PRO 39 HG2 PRO 39 17.068 4.228 -0.397 275 HG3 PRO 39 HG3 PRO 39 17.726 2.585 -0.047 276 HD2 PRO 39 HD2 PRO 39 15.678 2.942 -1.773 277 HD3 PRO 39 HD3 PRO 39 15.660 1.554 -0.639 278 H ARG 40 H ARG 40 13.373 4.775 3.017 279 HA ARG 40 HA ARG 40 14.003 7.632 2.346 280 HB2 ARG 40 HB2 ARG 40 11.270 6.339 2.768 281 HB3 ARG 40 HB3 ARG 40 11.564 8.076 2.838 282 HG2 ARG 40 HG2 ARG 40 12.458 7.999 0.488 283 HG3 ARG 40 HG3 ARG 40 12.016 6.288 0.426 284 HD2 ARG 40 HD2 ARG 40 9.636 6.965 0.962 285 HD3 ARG 40 HD3 ARG 40 10.129 8.654 0.789 286 HE ARG 40 HE ARG 40 11.001 7.376 -1.544 287 HH11 ARG 40 HH11 ARG 40 7.808 8.022 -0.151 288 HH12 ARG 40 HH12 ARG 40 7.020 7.620 -1.656 289 HH21 ARG 40 HH21 ARG 40 9.875 7.102 -3.447 290 HH22 ARG 40 HH22 ARG 40 8.132 7.323 -3.443 291 H ARG 41 H ARG 41 13.222 5.270 4.786 292 HA ARG 41 HA ARG 41 13.022 5.212 7.026 293 HB2 ARG 41 HB2 ARG 41 14.865 7.634 7.017 294 HB3 ARG 41 HB3 ARG 41 14.471 6.661 8.418 295 HG2 ARG 41 HG2 ARG 41 16.002 5.730 5.953 296 HG3 ARG 41 HG3 ARG 41 16.659 6.041 7.546 297 HD2 ARG 41 HD2 ARG 41 14.765 3.804 6.741 298 HD3 ARG 41 HD3 ARG 41 16.456 3.643 7.196 299 HE ARG 41 HE ARG 41 15.768 4.524 9.489 300 HH11 ARG 41 HH11 ARG 41 13.557 2.602 7.585 301 HH12 ARG 41 HH12 ARG 41 12.541 2.210 8.957 302 HH21 ARG 41 HH21 ARG 41 14.501 3.925 11.221 303 HH22 ARG 41 HH22 ARG 41 13.118 2.895 10.967 304 H GLY 42 H GLY 42 12.682 8.660 6.232 305 HA2 GLY 42 HA2 GLY 42 10.706 9.105 8.356 306 HA3 GLY 42 HA3 GLY 42 11.322 10.284 7.193 307 H GLY 43 H GLY 43 10.204 7.565 5.500 308 HA2 GLY 43 HA2 GLY 43 8.316 7.116 4.220 309 HA3 GLY 43 HA3 GLY 43 7.382 7.910 5.481 310 H GLY 44 H GLY 44 5.992 9.112 4.330 311 HA2 GLY 44 HA2 GLY 44 5.200 10.947 3.180 312 HA3 GLY 44 HA3 GLY 44 6.850 11.499 2.901 313 H SER 45 H SER 45 4.691 11.625 1.030 314 HA SER 45 HA SER 45 5.133 9.527 -0.997 315 HB2 SER 45 HB2 SER 45 3.184 10.569 -2.082 316 HB3 SER 45 HB3 SER 45 2.853 10.143 -0.397 317 HG SER 45 HG SER 45 2.137 12.289 -0.985 318 H GLY 46 H GLY 46 5.913 12.932 -0.565 319 HA2 GLY 46 HA2 GLY 46 7.285 14.338 -1.762 320 HA3 GLY 46 HA3 GLY 46 7.731 12.992 -2.813 321 H GLY 47 H GLY 47 4.384 13.286 -2.902 322 HA2 GLY 47 HA2 GLY 47 3.744 15.496 -4.495 323 HA3 GLY 47 HA3 GLY 47 4.345 14.277 -5.623 324 H GLY 48 H GLY 48 1.880 15.144 -6.012 325 HA2 GLY 48 HA2 GLY 48 -0.196 13.591 -4.667 326 HA3 GLY 48 HA3 GLY 48 -0.399 14.733 -5.979 327 H SER 49 H SER 49 1.909 12.632 -7.096 328 HA SER 49 HA SER 49 0.006 11.111 -8.757 329 HB2 SER 49 HB2 SER 49 2.121 12.233 -9.596 330 HB3 SER 49 HB3 SER 49 3.039 10.973 -8.758 331 HG SER 49 HG SER 49 2.605 10.481 -10.987 332 H MET 50 H MET 50 0.783 8.736 -9.219 333 HA MET 50 HA MET 50 0.294 7.118 -6.862 334 HB2 MET 50 HB2 MET 50 1.053 6.560 -9.747 335 HB3 MET 50 HB3 MET 50 1.167 5.270 -8.544 336 HG2 MET 50 HG2 MET 50 -1.365 6.875 -9.027 337 HG3 MET 50 HG3 MET 50 -0.993 5.331 -9.785 338 HE1 MET 50 HE1 MET 50 -3.819 4.281 -7.316 339 HE2 MET 50 HE2 MET 50 -3.709 5.807 -8.218 340 HE3 MET 50 HE3 MET 50 -3.243 4.280 -8.995 341 H ASP 51 H ASP 51 1.650 7.168 -5.284 342 HA ASP 51 HA ASP 51 4.488 6.318 -5.685 343 HB2 ASP 51 HB2 ASP 51 4.382 8.727 -5.107 344 HB3 ASP 51 HB3 ASP 51 3.419 8.335 -3.664 345 H ALA 52 H ALA 52 5.353 5.055 -3.970 346 HA ALA 52 HA ALA 52 3.734 2.970 -3.084 347 HB1 ALA 52 HB1 ALA 52 5.671 2.306 -1.736 348 HB2 ALA 52 HB2 ALA 52 6.182 2.884 -3.328 349 HB3 ALA 52 HB3 ALA 52 6.375 3.934 -1.904 350 H LYS 53 H LYS 53 4.532 5.976 -1.267 351 HA LYS 53 HA LYS 53 3.370 5.201 1.238 352 HB2 LYS 53 HB2 LYS 53 4.770 7.181 1.032 353 HB3 LYS 53 HB3 LYS 53 3.647 7.915 -0.111 354 HG2 LYS 53 HG2 LYS 53 3.477 8.930 2.107 355 HG3 LYS 53 HG3 LYS 53 1.963 8.202 1.615 356 HD2 LYS 53 HD2 LYS 53 2.454 6.218 3.044 357 HD3 LYS 53 HD3 LYS 53 3.987 6.957 3.528 358 HE2 LYS 53 HE2 LYS 53 2.407 7.307 5.295 359 HE3 LYS 53 HE3 LYS 53 2.729 8.873 4.535 360 HZ1 LYS 53 HZ1 LYS 53 0.325 7.193 3.963 361 HZ2 LYS 53 HZ2 LYS 53 0.640 8.665 3.333 362 HZ3 LYS 53 HZ3 LYS 53 0.352 8.508 4.929 363 H GLU 54 H GLU 54 1.809 6.836 -1.535 364 HA GLU 54 HA GLU 54 -0.796 6.895 -0.247 365 HB2 GLU 54 HB2 GLU 54 -0.054 8.452 -2.066 366 HB3 GLU 54 HB3 GLU 54 -0.175 7.101 -3.219 367 HG2 GLU 54 HG2 GLU 54 -2.566 6.817 -2.611 368 HG3 GLU 54 HG3 GLU 54 -2.444 8.136 -1.452 369 H ILE 55 H ILE 55 0.752 4.644 -2.566 370 HA ILE 55 HA ILE 55 -1.482 2.976 -3.046 371 HB ILE 55 HB ILE 55 1.506 2.428 -3.101 372 HG12 ILE 55 HG12 ILE 55 -0.399 2.693 -5.462 373 HG13 ILE 55 HG13 ILE 55 0.336 4.115 -4.731 374 HG21 ILE 55 HG21 ILE 55 -0.812 0.639 -3.965 375 HG22 ILE 55 HG22 ILE 55 0.847 0.424 -4.538 376 HG23 ILE 55 HG23 ILE 55 0.489 0.270 -2.814 377 HD11 ILE 55 HD11 ILE 55 1.906 1.815 -5.946 378 HD12 ILE 55 HD12 ILE 55 1.636 3.411 -6.660 379 HD13 ILE 55 HD13 ILE 55 2.596 3.249 -5.179 380 H LEU 56 H LEU 56 1.099 2.617 -0.531 381 HA LEU 56 HA LEU 56 -0.159 0.355 0.741 382 HB2 LEU 56 HB2 LEU 56 1.977 2.344 1.552 383 HB3 LEU 56 HB3 LEU 56 1.244 1.325 2.758 384 HG LEU 56 HG LEU 56 3.185 0.268 2.238 385 HD11 LEU 56 HD11 LEU 56 1.241 -1.267 0.502 386 HD12 LEU 56 HD12 LEU 56 1.167 -1.220 2.282 387 HD13 LEU 56 HD13 LEU 56 2.588 -1.892 1.456 388 HD21 LEU 56 HD21 LEU 56 2.568 0.533 -0.699 389 HD22 LEU 56 HD22 LEU 56 3.912 -0.429 -0.021 390 HD23 LEU 56 HD23 LEU 56 3.867 1.318 0.241 391 H THR 57 H THR 57 -0.526 3.866 1.276 392 HA THR 57 HA THR 57 -2.137 3.641 3.639 393 HB THR 57 HB THR 57 -2.194 5.836 1.530 394 HG1 THR 57 HG1 THR 57 -0.165 5.604 2.397 395 HG21 THR 57 HG21 THR 57 -4.127 6.018 3.067 396 HG22 THR 57 HG22 THR 57 -2.934 7.271 3.422 397 HG23 THR 57 HG23 THR 57 -3.035 5.828 4.464 398 H ARG 58 H ARG 58 -3.120 3.745 0.169 399 HA ARG 58 HA ARG 58 -5.957 3.359 0.650 400 HB2 ARG 58 HB2 ARG 58 -4.201 2.719 -1.765 401 HB3 ARG 58 HB3 ARG 58 -5.970 2.624 -1.746 402 HG2 ARG 58 HG2 ARG 58 -6.190 5.005 -1.348 403 HG3 ARG 58 HG3 ARG 58 -4.437 5.204 -1.212 404 HD2 ARG 58 HD2 ARG 58 -4.168 4.355 -3.552 405 HD3 ARG 58 HD3 ARG 58 -5.923 4.212 -3.702 406 HE ARG 58 HE ARG 58 -4.280 6.646 -3.839 407 HH11 ARG 58 HH11 ARG 58 -7.608 5.593 -3.331 408 HH12 ARG 58 HH12 ARG 58 -8.224 7.145 -3.829 409 HH21 ARG 58 HH21 ARG 58 -5.098 8.480 -4.420 410 HH22 ARG 58 HH22 ARG 58 -6.833 8.769 -4.467 411 H PHE 59 H PHE 59 -3.292 1.035 0.078 412 HA PHE 59 HA PHE 59 -4.977 -1.270 -0.029 413 HB2 PHE 59 HB2 PHE 59 -2.752 -1.133 -1.036 414 HB3 PHE 59 HB3 PHE 59 -2.027 -0.887 0.539 415 HD1 PHE 59 HD1 PHE 59 -4.312 -3.358 -1.165 416 HD2 PHE 59 HD2 PHE 59 -1.047 -2.734 1.583 417 HE1 PHE 59 HE1 PHE 59 -4.188 -5.799 -0.759 418 HE2 PHE 59 HE2 PHE 59 -0.867 -5.173 1.899 419 HZ PHE 59 HZ PHE 59 -2.440 -6.720 0.754 420 H LYS 60 H LYS 60 -3.204 0.165 2.738 421 HA LYS 60 HA LYS 60 -4.015 -1.935 4.531 422 HB2 LYS 60 HB2 LYS 60 -2.019 -0.410 4.806 423 HB3 LYS 60 HB3 LYS 60 -3.143 0.869 5.308 424 HG2 LYS 60 HG2 LYS 60 -3.937 -0.589 7.177 425 HG3 LYS 60 HG3 LYS 60 -2.833 -1.864 6.633 426 HD2 LYS 60 HD2 LYS 60 -0.906 -0.341 7.078 427 HD3 LYS 60 HD3 LYS 60 -2.051 0.879 7.685 428 HE2 LYS 60 HE2 LYS 60 -2.871 -0.717 9.383 429 HE3 LYS 60 HE3 LYS 60 -1.747 -1.950 8.782 430 HZ1 LYS 60 HZ1 LYS 60 0.090 -0.543 9.470 431 HZ2 LYS 60 HZ2 LYS 60 -0.894 -0.757 10.752 432 HZ3 LYS 60 HZ3 LYS 60 -0.921 0.656 9.947 433 H ASP 61 H ASP 61 -5.456 1.173 3.681 434 HA ASP 61 HA ASP 61 -7.626 1.054 5.598 435 HB2 ASP 61 HB2 ASP 61 -6.757 3.129 4.557 436 HB3 ASP 61 HB3 ASP 61 -7.337 2.586 2.984 437 H GLY 62 H GLY 62 -7.061 -0.746 2.723 438 HA2 GLY 62 HA2 GLY 62 -8.331 -2.484 1.874 439 HA3 GLY 62 HA3 GLY 62 -9.723 -1.984 2.829 440 H GLY 63 H GLY 63 -8.401 0.614 1.053 441 HA2 GLY 63 HA2 GLY 63 -10.624 0.739 -0.851 442 HA3 GLY 63 HA3 GLY 63 -9.317 1.917 -0.630 443 H LEU 64 H LEU 64 -7.633 -0.839 -0.881 444 HA LEU 64 HA LEU 64 -7.607 -1.063 -3.848 445 HB2 LEU 64 HB2 LEU 64 -5.783 0.453 -2.685 446 HB3 LEU 64 HB3 LEU 64 -5.082 -1.075 -2.177 447 HG LEU 64 HG LEU 64 -4.925 -1.727 -4.622 448 HD11 LEU 64 HD11 LEU 64 -6.603 -0.166 -5.575 449 HD12 LEU 64 HD12 LEU 64 -5.009 0.155 -6.267 450 HD13 LEU 64 HD13 LEU 64 -5.651 1.208 -4.982 451 HD21 LEU 64 HD21 LEU 64 -3.005 -0.802 -3.364 452 HD22 LEU 64 HD22 LEU 64 -3.520 0.838 -3.771 453 HD23 LEU 64 HD23 LEU 64 -2.980 -0.274 -5.058 454 H ASP 65 H ASP 65 -7.138 -3.101 -4.663 455 HA ASP 65 HA ASP 65 -7.169 -5.398 -2.789 456 HB2 ASP 65 HB2 ASP 65 -7.125 -5.457 -5.815 457 HB3 ASP 65 HB3 ASP 65 -7.529 -6.772 -4.724 458 H ARG 66 H ARG 66 -5.542 -7.134 -2.961 459 HA ARG 66 HA ARG 66 -2.911 -6.004 -2.872 460 HB2 ARG 66 HB2 ARG 66 -3.816 -8.012 -1.570 461 HB3 ARG 66 HB3 ARG 66 -3.464 -8.991 -3.002 462 HG2 ARG 66 HG2 ARG 66 -1.070 -8.384 -2.854 463 HG3 ARG 66 HG3 ARG 66 -1.429 -7.192 -1.602 464 HD2 ARG 66 HD2 ARG 66 -0.496 -9.013 -0.457 465 HD3 ARG 66 HD3 ARG 66 -2.213 -9.081 -0.111 466 HE ARG 66 HE ARG 66 -0.590 -10.912 -1.825 467 HH11 ARG 66 HH11 ARG 66 -3.827 -10.389 -0.520 468 HH12 ARG 66 HH12 ARG 66 -4.276 -12.025 -0.907 469 HH21 ARG 66 HH21 ARG 66 -1.166 -12.811 -2.195 470 HH22 ARG 66 HH22 ARG 66 -2.791 -13.416 -1.842 471 H ALA 67 H ALA 67 -4.513 -7.830 -5.420 472 HA ALA 67 HA ALA 67 -2.284 -8.121 -7.191 473 HB1 ALA 67 HB1 ALA 67 -4.429 -9.295 -7.461 474 HB2 ALA 67 HB2 ALA 67 -5.256 -7.754 -7.779 475 HB3 ALA 67 HB3 ALA 67 -4.039 -8.367 -8.921 476 H ALA 68 H ALA 68 -4.583 -5.388 -6.788 477 HA ALA 68 HA ALA 68 -3.363 -3.743 -8.839 478 HB1 ALA 68 HB1 ALA 68 -5.709 -3.466 -8.185 479 HB2 ALA 68 HB2 ALA 68 -5.221 -3.041 -6.528 480 HB3 ALA 68 HB3 ALA 68 -4.805 -1.976 -7.880 481 H ALA 69 H ALA 69 -2.947 -3.999 -5.262 482 HA ALA 69 HA ALA 69 -1.093 -1.860 -5.010 483 HB1 ALA 69 HB1 ALA 69 -2.254 -3.037 -3.128 484 HB2 ALA 69 HB2 ALA 69 -1.188 -4.430 -3.374 485 HB3 ALA 69 HB3 ALA 69 -0.499 -2.869 -2.890 486 H GLN 70 H GLN 70 -0.424 -5.362 -5.692 487 HA GLN 70 HA GLN 70 2.400 -5.116 -5.984 488 HB2 GLN 70 HB2 GLN 70 0.471 -6.989 -7.396 489 HB3 GLN 70 HB3 GLN 70 2.237 -7.138 -7.409 490 HG2 GLN 70 HG2 GLN 70 2.349 -7.663 -5.114 491 HG3 GLN 70 HG3 GLN 70 0.682 -7.180 -4.806 492 HE21 GLN 70 HE21 GLN 70 2.694 -9.874 -5.921 493 HE22 GLN 70 HE22 GLN 70 1.332 -10.938 -6.215 494 H ALA 71 H ALA 71 -0.198 -4.758 -8.480 495 HA ALA 71 HA ALA 71 1.468 -4.288 -10.707 496 HB1 ALA 71 HB1 ALA 71 -0.528 -3.271 -11.714 497 HB2 ALA 71 HB2 ALA 71 -0.968 -4.735 -10.814 498 HB3 ALA 71 HB3 ALA 71 -1.299 -3.129 -10.117 499 H LEU 72 H LEU 72 -0.070 -1.828 -8.591 500 HA LEU 72 HA LEU 72 1.143 0.435 -9.843 501 HB2 LEU 72 HB2 LEU 72 -0.325 -0.107 -7.253 502 HB3 LEU 72 HB3 LEU 72 0.343 1.470 -7.591 503 HG LEU 72 HG LEU 72 -1.109 1.998 -9.240 504 HD11 LEU 72 HD11 LEU 72 -2.634 0.559 -10.471 505 HD12 LEU 72 HD12 LEU 72 -2.001 -0.879 -9.657 506 HD13 LEU 72 HD13 LEU 72 -0.970 0.070 -10.759 507 HD21 LEU 72 HD21 LEU 72 -3.349 1.497 -8.390 508 HD22 LEU 72 HD22 LEU 72 -2.237 1.727 -7.027 509 HD23 LEU 72 HD23 LEU 72 -2.726 0.082 -7.521 510 H LEU 73 H LEU 73 2.218 -1.492 -6.983 511 HA LEU 73 HA LEU 73 4.502 0.221 -6.438 512 HB2 LEU 73 HB2 LEU 73 3.869 -2.676 -5.723 513 HB3 LEU 73 HB3 LEU 73 5.327 -1.828 -5.216 514 HG LEU 73 HG LEU 73 2.479 -1.068 -4.453 515 HD11 LEU 73 HD11 LEU 73 4.766 -2.204 -2.810 516 HD12 LEU 73 HD12 LEU 73 3.296 -3.081 -3.333 517 HD13 LEU 73 HD13 LEU 73 3.163 -1.735 -2.190 518 HD21 LEU 73 HD21 LEU 73 5.086 0.217 -3.637 519 HD22 LEU 73 HD22 LEU 73 3.511 0.516 -2.866 520 HD23 LEU 73 HD23 LEU 73 3.773 0.973 -4.548 521 H ALA 74 H ALA 74 4.058 -2.615 -8.545 522 HA ALA 74 HA ALA 74 6.821 -2.586 -9.452 523 HB1 ALA 74 HB1 ALA 74 4.376 -3.972 -10.624 524 HB2 ALA 74 HB2 ALA 74 6.089 -4.329 -10.991 525 HB3 ALA 74 HB3 ALA 74 5.449 -4.645 -9.373 526 H GLY 75 H GLY 75 4.632 -0.208 -9.939 527 HA2 GLY 75 HA2 GLY 75 4.568 1.562 -11.382 528 HA3 GLY 75 HA3 GLY 75 6.038 0.946 -12.151 529 H ARG 76 H ARG 76 3.107 -1.002 -12.061 530 HA ARG 76 HA ARG 76 2.684 -0.695 -15.023 531 HB2 ARG 76 HB2 ARG 76 2.869 -3.171 -13.256 532 HB3 ARG 76 HB3 ARG 76 2.199 -3.203 -14.893 533 HG2 ARG 76 HG2 ARG 76 4.266 -2.621 -15.914 534 HG3 ARG 76 HG3 ARG 76 4.995 -2.133 -14.376 535 HD2 ARG 76 HD2 ARG 76 4.993 -4.442 -13.572 536 HD3 ARG 76 HD3 ARG 76 4.103 -4.968 -15.002 537 HE ARG 76 HE ARG 76 6.040 -5.000 -16.232 538 HH11 ARG 76 HH11 ARG 76 6.905 -3.080 -13.340 539 HH12 ARG 76 HH12 ARG 76 8.611 -3.318 -13.720 540 HH21 ARG 76 HH21 ARG 76 8.262 -5.073 -16.535 541 HH22 ARG 76 HH22 ARG 76 9.288 -4.268 -15.345 542 H THR 77 H THR 77 0.577 -1.295 -15.799 543 HA THR 77 HA THR 77 -1.566 -0.408 -14.012 544 HB THR 77 HB THR 77 -3.016 -0.721 -16.053 545 HG1 THR 77 HG1 THR 77 -1.921 -0.920 -18.009 546 HG21 THR 77 HG21 THR 77 -2.071 1.461 -15.398 547 HG22 THR 77 HG22 THR 77 -2.159 1.301 -17.152 548 HG23 THR 77 HG23 THR 77 -0.594 1.115 -16.324 549 HA PRO 78 HA PRO 78 -3.161 -4.534 -13.065 550 HB2 PRO 78 HB2 PRO 78 -5.805 -3.098 -12.946 551 HB3 PRO 78 HB3 PRO 78 -5.076 -4.214 -11.753 552 HG2 PRO 78 HG2 PRO 78 -5.082 -1.543 -11.300 553 HG3 PRO 78 HG3 PRO 78 -3.599 -2.505 -10.955 554 HD2 PRO 78 HD2 PRO 78 -4.231 -0.850 -13.431 555 HD3 PRO 78 HD3 PRO 78 -2.760 -0.864 -12.414 556 H ALA 79 H ALA 79 -4.865 -6.053 -13.882 557 HA ALA 79 HA ALA 79 -5.081 -5.923 -16.764 558 HB1 ALA 79 HB1 ALA 79 -4.437 -7.979 -15.556 559 HB2 ALA 79 HB2 ALA 79 -6.043 -8.038 -14.805 560 HB3 ALA 79 HB3 ALA 79 -5.872 -8.233 -16.561 561 H ALA 80 H ALA 80 -6.880 -4.319 -14.792 562 HA ALA 80 HA ALA 80 -8.877 -3.355 -14.646 563 HB1 ALA 80 HB1 ALA 80 -10.056 -2.797 -16.680 564 HB2 ALA 80 HB2 ALA 80 -8.304 -2.736 -16.956 565 HB3 ALA 80 HB3 ALA 80 -9.251 -4.118 -17.552 566 H ALA 81 H ALA 81 -11.209 -3.440 -14.670 567 HA ALA 81 HA ALA 81 -12.538 -6.085 -14.801 568 HB1 ALA 81 HB1 ALA 81 -12.378 -4.414 -12.256 569 HB2 ALA 81 HB2 ALA 81 -13.417 -5.844 -12.504 570 HB3 ALA 81 HB3 ALA 81 -11.648 -6.008 -12.514 571 HA PRO 82 HA PRO 82 -14.858 -2.508 -16.401 572 HB2 PRO 82 HB2 PRO 82 -15.740 -4.423 -18.540 573 HB3 PRO 82 HB3 PRO 82 -15.101 -2.761 -18.716 574 HG2 PRO 82 HG2 PRO 82 -13.534 -4.898 -19.278 575 HG3 PRO 82 HG3 PRO 82 -12.853 -3.511 -18.353 576 HD2 PRO 82 HD2 PRO 82 -14.015 -6.109 -17.268 577 HD3 PRO 82 HD3 PRO 82 -12.425 -5.360 -16.925 578 H ARG 83 H ARG 83 -15.968 -4.911 -14.750 579 HA ARG 83 HA ARG 83 -18.748 -4.015 -14.632 580 HB2 ARG 83 HB2 ARG 83 -19.698 -6.300 -14.892 581 HB3 ARG 83 HB3 ARG 83 -19.011 -5.674 -16.376 582 HG2 ARG 83 HG2 ARG 83 -17.211 -7.175 -16.356 583 HG3 ARG 83 HG3 ARG 83 -17.285 -7.458 -14.618 584 HD2 ARG 83 HD2 ARG 83 -19.418 -8.394 -16.563 585 HD3 ARG 83 HD3 ARG 83 -18.060 -9.390 -16.007 586 HE ARG 83 HE ARG 83 -19.277 -8.415 -13.664 587 HH11 ARG 83 HH11 ARG 83 -20.321 -10.572 -16.240 588 HH12 ARG 83 HH12 ARG 83 -21.463 -11.366 -15.187 589 HH21 ARG 83 HH21 ARG 83 -20.638 -9.362 -12.467 590 HH22 ARG 83 HH22 ARG 83 -21.653 -10.695 -13.035 591 HA PRO 84 HA PRO 84 -18.276 -5.366 -10.349 592 HB2 PRO 84 HB2 PRO 84 -20.852 -5.887 -9.602 593 HB3 PRO 84 HB3 PRO 84 -20.223 -4.230 -9.851 594 HG2 PRO 84 HG2 PRO 84 -21.772 -5.957 -11.813 595 HG3 PRO 84 HG3 PRO 84 -22.094 -4.254 -11.357 596 HD2 PRO 84 HD2 PRO 84 -20.726 -4.869 -13.594 597 HD3 PRO 84 HD3 PRO 84 -20.237 -3.473 -12.600 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 23.581 -6.801 -15.598 2 H2 GLY 1 H2 GLY 1 24.016 -6.880 -14.022 3 H3 GLY 1 H3 GLY 1 23.452 -8.217 -14.775 4 HA2 GLY 1 HA2 GLY 1 25.872 -8.251 -14.464 5 HA3 GLY 1 HA3 GLY 1 25.352 -8.406 -16.149 6 HA PRO 2 HA PRO 2 28.058 -8.367 -14.750 7 HB2 PRO 2 HB2 PRO 2 30.292 -7.217 -13.732 8 HB3 PRO 2 HB3 PRO 2 30.062 -7.491 -15.490 9 HG2 PRO 2 HG2 PRO 2 29.595 -4.927 -13.928 10 HG3 PRO 2 HG3 PRO 2 30.522 -5.151 -15.438 11 HD2 PRO 2 HD2 PRO 2 27.917 -4.330 -15.473 12 HD3 PRO 2 HD3 PRO 2 28.570 -5.402 -16.730 13 H GLY 3 H GLY 3 27.299 -5.329 -13.088 14 HA2 GLY 3 HA2 GLY 3 27.301 -6.456 -10.380 15 HA3 GLY 3 HA3 GLY 3 26.716 -4.875 -10.877 16 H SER 4 H SER 4 25.349 -6.408 -9.047 17 HA SER 4 HA SER 4 23.147 -7.878 -10.253 18 HB2 SER 4 HB2 SER 4 22.337 -8.045 -7.926 19 HB3 SER 4 HB3 SER 4 24.015 -8.575 -8.129 20 HG SER 4 HG SER 4 23.756 -7.221 -6.287 21 H TYR 5 H TYR 5 23.681 -4.549 -9.670 22 HA TYR 5 HA TYR 5 20.884 -3.903 -10.444 23 HB2 TYR 5 HB2 TYR 5 21.013 -3.680 -8.001 24 HB3 TYR 5 HB3 TYR 5 22.398 -2.605 -8.149 25 HD1 TYR 5 HD1 TYR 5 18.778 -2.938 -9.137 26 HD2 TYR 5 HD2 TYR 5 22.074 -0.266 -8.345 27 HE1 TYR 5 HE1 TYR 5 17.235 -0.989 -9.269 28 HE2 TYR 5 HE2 TYR 5 20.523 1.675 -8.473 29 HH TYR 5 HH TYR 5 17.014 1.270 -9.112 30 H THR 6 H THR 6 20.690 -2.264 -11.834 31 HA THR 6 HA THR 6 23.134 -0.846 -12.829 32 HB THR 6 HB THR 6 22.344 -1.340 -15.129 33 HG1 THR 6 HG1 THR 6 20.738 -2.861 -15.402 34 HG21 THR 6 HG21 THR 6 23.092 -3.609 -15.259 35 HG22 THR 6 HG22 THR 6 22.719 -3.901 -13.536 36 HG23 THR 6 HG23 THR 6 24.036 -2.800 -13.995 37 H GLY 7 H GLY 7 20.459 -0.062 -11.337 38 HA2 GLY 7 HA2 GLY 7 19.207 1.913 -11.286 39 HA3 GLY 7 HA3 GLY 7 19.949 2.444 -12.783 40 H ALA 8 H ALA 8 18.662 -0.733 -12.983 41 HA ALA 8 HA ALA 8 16.081 0.123 -14.167 42 HB1 ALA 8 HB1 ALA 8 18.175 -1.588 -15.567 43 HB2 ALA 8 HB2 ALA 8 16.572 -1.152 -16.208 44 HB3 ALA 8 HB3 ALA 8 17.795 0.103 -15.953 45 H GLY 9 H GLY 9 14.809 -1.910 -14.864 46 HA2 GLY 9 HA2 GLY 9 14.003 -4.085 -14.453 47 HA3 GLY 9 HA3 GLY 9 15.163 -4.300 -13.152 48 H GLU 10 H GLU 10 12.865 -5.236 -12.506 49 HA GLU 10 HA GLU 10 11.423 -3.275 -10.812 50 HB2 GLU 10 HB2 GLU 10 9.288 -4.191 -11.589 51 HB3 GLU 10 HB3 GLU 10 10.194 -3.460 -12.913 52 HG2 GLU 10 HG2 GLU 10 10.945 -5.771 -13.577 53 HG3 GLU 10 HG3 GLU 10 9.899 -6.426 -12.310 54 HA PRO 11 HA PRO 11 11.533 -6.547 -7.760 55 HB2 PRO 11 HB2 PRO 11 9.363 -6.003 -6.187 56 HB3 PRO 11 HB3 PRO 11 10.817 -4.969 -6.221 57 HG2 PRO 11 HG2 PRO 11 8.241 -4.584 -7.777 58 HG3 PRO 11 HG3 PRO 11 9.104 -3.383 -6.774 59 HD2 PRO 11 HD2 PRO 11 9.445 -3.465 -9.459 60 HD3 PRO 11 HD3 PRO 11 10.836 -3.147 -8.388 61 H SER 12 H SER 12 10.663 -8.557 -7.271 62 HA SER 12 HA SER 12 8.854 -9.744 -9.222 63 HB2 SER 12 HB2 SER 12 10.735 -11.014 -8.323 64 HB3 SER 12 HB3 SER 12 10.041 -10.906 -6.691 65 HG SER 12 HG SER 12 9.594 -12.875 -7.925 66 H GLN 13 H GLN 13 6.789 -10.502 -8.970 67 HA GLN 13 HA GLN 13 4.978 -9.371 -7.067 68 HB2 GLN 13 HB2 GLN 13 3.371 -10.957 -7.886 69 HB3 GLN 13 HB3 GLN 13 4.263 -10.225 -9.225 70 HG2 GLN 13 HG2 GLN 13 5.642 -12.280 -9.428 71 HG3 GLN 13 HG3 GLN 13 4.774 -13.005 -8.063 72 HE21 GLN 13 HE21 GLN 13 4.364 -11.885 -11.467 73 HE22 GLN 13 HE22 GLN 13 2.932 -12.868 -11.738 74 H ALA 14 H ALA 14 7.104 -12.176 -6.804 75 HA ALA 14 HA ALA 14 5.746 -13.301 -4.490 76 HB1 ALA 14 HB1 ALA 14 7.719 -14.758 -4.385 77 HB2 ALA 14 HB2 ALA 14 7.083 -14.656 -6.041 78 HB3 ALA 14 HB3 ALA 14 8.545 -13.754 -5.593 79 H ASP 15 H ASP 15 8.317 -10.913 -4.935 80 HA ASP 15 HA ASP 15 9.017 -10.770 -2.090 81 HB2 ASP 15 HB2 ASP 15 9.638 -8.771 -4.277 82 HB3 ASP 15 HB3 ASP 15 10.396 -8.880 -2.696 83 H LEU 16 H LEU 16 6.985 -9.020 -4.329 84 HA LEU 16 HA LEU 16 6.086 -6.981 -2.487 85 HB2 LEU 16 HB2 LEU 16 4.906 -8.128 -5.049 86 HB3 LEU 16 HB3 LEU 16 4.189 -6.768 -4.186 87 HG LEU 16 HG LEU 16 7.066 -6.653 -5.187 88 HD11 LEU 16 HD11 LEU 16 4.525 -5.786 -6.614 89 HD12 LEU 16 HD12 LEU 16 5.629 -7.101 -7.112 90 HD13 LEU 16 HD13 LEU 16 6.178 -5.422 -7.131 91 HD21 LEU 16 HD21 LEU 16 5.005 -4.506 -4.515 92 HD22 LEU 16 HD22 LEU 16 6.662 -4.229 -5.085 93 HD23 LEU 16 HD23 LEU 16 6.393 -4.964 -3.499 94 H ASP 17 H ASP 17 4.549 -10.107 -3.474 95 HA ASP 17 HA ASP 17 2.259 -9.857 -1.850 96 HB2 ASP 17 HB2 ASP 17 2.670 -11.520 -3.681 97 HB3 ASP 17 HB3 ASP 17 3.826 -12.356 -2.669 98 H ALA 18 H ALA 18 5.488 -11.108 -0.987 99 HA ALA 18 HA ALA 18 4.806 -12.110 1.620 100 HB1 ALA 18 HB1 ALA 18 7.459 -11.061 0.517 101 HB2 ALA 18 HB2 ALA 18 7.259 -12.060 1.972 102 HB3 ALA 18 HB3 ALA 18 6.855 -12.729 0.376 103 H LEU 19 H LEU 19 5.960 -8.902 0.513 104 HA LEU 19 HA LEU 19 6.120 -7.708 3.135 105 HB2 LEU 19 HB2 LEU 19 7.347 -6.884 1.125 106 HB3 LEU 19 HB3 LEU 19 5.817 -6.505 0.353 107 HG LEU 19 HG LEU 19 5.384 -4.932 2.414 108 HD11 LEU 19 HD11 LEU 19 7.295 -5.818 3.771 109 HD12 LEU 19 HD12 LEU 19 7.371 -4.077 3.501 110 HD13 LEU 19 HD13 LEU 19 8.417 -5.158 2.564 111 HD21 LEU 19 HD21 LEU 19 6.643 -3.122 1.294 112 HD22 LEU 19 HD22 LEU 19 5.701 -4.128 0.184 113 HD23 LEU 19 HD23 LEU 19 7.470 -4.335 0.299 114 H LEU 20 H LEU 20 3.710 -7.574 0.510 115 HA LEU 20 HA LEU 20 1.941 -5.733 1.696 116 HB2 LEU 20 HB2 LEU 20 1.587 -7.897 -0.373 117 HB3 LEU 20 HB3 LEU 20 0.279 -6.795 0.020 118 HG LEU 20 HG LEU 20 2.997 -5.761 -0.888 119 HD11 LEU 20 HD11 LEU 20 2.042 -7.243 -2.647 120 HD12 LEU 20 HD12 LEU 20 2.074 -5.545 -3.134 121 HD13 LEU 20 HD13 LEU 20 0.538 -6.278 -2.629 122 HD21 LEU 20 HD21 LEU 20 0.215 -4.548 -0.950 123 HD22 LEU 20 HD22 LEU 20 1.714 -3.766 -1.481 124 HD23 LEU 20 HD23 LEU 20 1.477 -4.143 0.231 125 H SER 21 H SER 21 1.903 -9.330 1.841 126 HA SER 21 HA SER 21 -0.571 -9.628 3.205 127 HB2 SER 21 HB2 SER 21 1.934 -11.356 3.397 128 HB3 SER 21 HB3 SER 21 0.318 -11.815 3.954 129 HG SER 21 HG SER 21 1.233 -11.376 1.315 130 H ALA 22 H ALA 22 2.594 -8.680 4.516 131 HA ALA 22 HA ALA 22 1.777 -9.048 7.297 132 HB1 ALA 22 HB1 ALA 22 3.947 -8.114 7.814 133 HB2 ALA 22 HB2 ALA 22 4.113 -9.324 6.528 134 HB3 ALA 22 HB3 ALA 22 4.167 -7.583 6.126 135 H VAL 23 H VAL 23 1.741 -6.310 4.984 136 HA VAL 23 HA VAL 23 1.058 -4.403 7.149 137 HB VAL 23 HB VAL 23 2.444 -3.498 5.498 138 HG11 VAL 23 HG11 VAL 23 1.906 -3.280 3.157 139 HG12 VAL 23 HG12 VAL 23 2.054 -4.950 3.659 140 HG13 VAL 23 HG13 VAL 23 0.433 -4.259 3.382 141 HG21 VAL 23 HG21 VAL 23 -0.309 -2.339 4.938 142 HG22 VAL 23 HG22 VAL 23 0.702 -1.983 6.357 143 HG23 VAL 23 HG23 VAL 23 1.258 -1.548 4.743 144 H ARG 24 H ARG 24 -0.682 -6.158 4.599 145 HA ARG 24 HA ARG 24 -3.295 -5.077 5.134 146 HB2 ARG 24 HB2 ARG 24 -2.458 -6.487 3.167 147 HB3 ARG 24 HB3 ARG 24 -2.566 -7.891 4.204 148 HG2 ARG 24 HG2 ARG 24 -4.480 -7.807 2.788 149 HG3 ARG 24 HG3 ARG 24 -5.032 -7.494 4.435 150 HD2 ARG 24 HD2 ARG 24 -5.335 -5.132 3.956 151 HD3 ARG 24 HD3 ARG 24 -4.470 -5.277 2.418 152 HE ARG 24 HE ARG 24 -6.901 -6.934 2.727 153 HH11 ARG 24 HH11 ARG 24 -5.786 -3.853 1.481 154 HH12 ARG 24 HH12 ARG 24 -6.887 -3.921 0.118 155 HH21 ARG 24 HH21 ARG 24 -8.407 -6.828 1.107 156 HH22 ARG 24 HH22 ARG 24 -8.421 -5.456 0.029 157 H ASP 25 H ASP 25 -1.467 -7.636 6.748 158 HA ASP 25 HA ASP 25 -3.661 -8.304 8.582 159 HB2 ASP 25 HB2 ASP 25 -2.023 -9.963 7.634 160 HB3 ASP 25 HB3 ASP 25 -0.759 -9.214 8.613 161 H ASN 26 H ASN 26 -1.890 -5.614 8.477 162 HA ASN 26 HA ASN 26 -1.136 -4.044 9.852 163 HB2 ASN 26 HB2 ASN 26 -3.633 -4.493 10.533 164 HB3 ASN 26 HB3 ASN 26 -2.958 -5.071 12.049 165 HD21 ASN 26 HD21 ASN 26 -1.074 -3.317 12.804 166 HD22 ASN 26 HD22 ASN 26 -1.731 -1.685 12.867 167 H ARG 27 H ARG 27 0.521 -6.287 9.768 168 HA ARG 27 HA ARG 27 1.948 -6.174 12.406 169 HB2 ARG 27 HB2 ARG 27 2.427 -8.005 10.041 170 HB3 ARG 27 HB3 ARG 27 3.237 -8.083 11.599 171 HG2 ARG 27 HG2 ARG 27 0.278 -8.660 11.139 172 HG3 ARG 27 HG3 ARG 27 1.579 -9.854 11.274 173 HD2 ARG 27 HD2 ARG 27 0.473 -9.832 13.361 174 HD3 ARG 27 HD3 ARG 27 2.052 -9.064 13.589 175 HE ARG 27 HE ARG 27 0.065 -7.070 13.009 176 HH11 ARG 27 HH11 ARG 27 0.902 -9.162 15.681 177 HH12 ARG 27 HH12 ARG 27 0.316 -8.018 16.867 178 HH21 ARG 27 HH21 ARG 27 -0.545 -5.649 14.497 179 HH22 ARG 27 HH22 ARG 27 -0.504 -6.047 16.200 180 H LEU 28 H LEU 28 2.052 -4.922 9.198 181 HA LEU 28 HA LEU 28 4.794 -3.808 9.645 182 HB2 LEU 28 HB2 LEU 28 4.342 -5.771 7.976 183 HB3 LEU 28 HB3 LEU 28 3.558 -4.571 6.989 184 HG LEU 28 HG LEU 28 5.727 -5.010 6.151 185 HD11 LEU 28 HD11 LEU 28 4.960 -2.618 6.187 186 HD12 LEU 28 HD12 LEU 28 6.708 -2.905 5.978 187 HD13 LEU 28 HD13 LEU 28 6.068 -2.394 7.554 188 HD21 LEU 28 HD21 LEU 28 7.799 -4.656 7.410 189 HD22 LEU 28 HD22 LEU 28 6.793 -5.864 8.238 190 HD23 LEU 28 HD23 LEU 28 6.881 -4.198 8.864 191 H SER 29 H SER 29 5.051 -1.625 9.208 192 HA SER 29 HA SER 29 2.583 0.009 9.011 193 HB2 SER 29 HB2 SER 29 5.423 0.849 9.616 194 HB3 SER 29 HB3 SER 29 3.984 1.884 9.648 195 HG SER 29 HG SER 29 4.501 -0.414 11.269 196 H ILE 30 H ILE 30 2.439 1.919 7.680 197 HA ILE 30 HA ILE 30 2.801 1.525 4.898 198 HB ILE 30 HB ILE 30 2.568 4.177 6.378 199 HG12 ILE 30 HG12 ILE 30 0.751 2.865 7.210 200 HG13 ILE 30 HG13 ILE 30 0.137 4.048 6.065 201 HG21 ILE 30 HG21 ILE 30 1.825 3.397 3.530 202 HG22 ILE 30 HG22 ILE 30 1.453 4.946 4.298 203 HG23 ILE 30 HG23 ILE 30 3.139 4.472 4.023 204 HD11 ILE 30 HD11 ILE 30 -0.043 2.274 4.331 205 HD12 ILE 30 HD12 ILE 30 0.523 1.069 5.511 206 HD13 ILE 30 HD13 ILE 30 -1.009 1.936 5.761 207 H GLU 31 H GLU 31 4.713 3.658 7.101 208 HA GLU 31 HA GLU 31 6.547 4.439 5.021 209 HB2 GLU 31 HB2 GLU 31 6.735 4.649 8.061 210 HB3 GLU 31 HB3 GLU 31 7.873 5.389 6.924 211 HG2 GLU 31 HG2 GLU 31 5.978 6.669 5.896 212 HG3 GLU 31 HG3 GLU 31 4.884 5.987 7.102 213 H GLN 32 H GLN 32 6.584 1.796 7.350 214 HA GLN 32 HA GLN 32 9.324 0.929 6.963 215 HB2 GLN 32 HB2 GLN 32 6.781 -0.435 7.866 216 HB3 GLN 32 HB3 GLN 32 8.347 -1.263 7.816 217 HG2 GLN 32 HG2 GLN 32 9.249 0.354 9.442 218 HG3 GLN 32 HG3 GLN 32 7.689 1.192 9.496 219 HE21 GLN 32 HE21 GLN 32 8.884 0.087 11.847 220 HE22 GLN 32 HE22 GLN 32 7.816 -1.209 12.375 221 H ALA 33 H ALA 33 6.171 -0.057 5.437 222 HA ALA 33 HA ALA 33 7.391 -1.903 3.636 223 HB1 ALA 33 HB1 ALA 33 5.171 -1.587 2.372 224 HB2 ALA 33 HB2 ALA 33 5.105 -2.189 4.032 225 HB3 ALA 33 HB3 ALA 33 4.719 -0.481 3.702 226 H VAL 34 H VAL 34 6.985 1.624 3.355 227 HA VAL 34 HA VAL 34 7.767 1.711 0.539 228 HB VAL 34 HB VAL 34 7.601 3.863 2.668 229 HG11 VAL 34 HG11 VAL 34 8.153 4.122 -0.310 230 HG12 VAL 34 HG12 VAL 34 7.707 5.467 0.753 231 HG13 VAL 34 HG13 VAL 34 9.234 4.615 1.009 232 HG21 VAL 34 HG21 VAL 34 5.834 3.296 0.264 233 HG22 VAL 34 HG22 VAL 34 5.407 2.888 1.917 234 HG23 VAL 34 HG23 VAL 34 5.622 4.579 1.482 235 H THR 35 H THR 35 9.537 2.155 3.679 236 HA THR 35 HA THR 35 11.964 2.716 2.281 237 HB THR 35 HB THR 35 11.430 3.388 4.657 238 HG1 THR 35 HG1 THR 35 13.570 3.501 5.086 239 HG21 THR 35 HG21 THR 35 12.282 1.994 6.455 240 HG22 THR 35 HG22 THR 35 12.686 0.694 5.321 241 HG23 THR 35 HG23 THR 35 10.992 1.136 5.619 242 H LEU 36 H LEU 36 10.564 -0.344 3.268 243 HA LEU 36 HA LEU 36 12.953 -1.898 2.548 244 HB2 LEU 36 HB2 LEU 36 10.088 -2.720 3.139 245 HB3 LEU 36 HB3 LEU 36 11.445 -3.826 2.902 246 HG LEU 36 HG LEU 36 11.195 -1.812 5.175 247 HD11 LEU 36 HD11 LEU 36 11.075 -4.848 5.166 248 HD12 LEU 36 HD12 LEU 36 9.680 -3.764 5.334 249 HD13 LEU 36 HD13 LEU 36 10.932 -3.782 6.588 250 HD21 LEU 36 HD21 LEU 36 13.175 -2.962 6.127 251 HD22 LEU 36 HD22 LEU 36 13.518 -2.026 4.678 252 HD23 LEU 36 HD23 LEU 36 13.399 -3.801 4.567 253 H LEU 37 H LEU 37 10.145 -0.717 0.798 254 HA LEU 37 HA LEU 37 10.429 -2.433 -1.521 255 HB2 LEU 37 HB2 LEU 37 8.330 -1.293 -0.976 256 HB3 LEU 37 HB3 LEU 37 9.130 0.263 -1.051 257 HG LEU 37 HG LEU 37 9.593 -0.374 -3.590 258 HD11 LEU 37 HD11 LEU 37 8.773 -2.718 -3.397 259 HD12 LEU 37 HD12 LEU 37 7.833 -1.763 -4.553 260 HD13 LEU 37 HD13 LEU 37 7.169 -2.099 -2.942 261 HD21 LEU 37 HD21 LEU 37 7.353 0.577 -4.142 262 HD22 LEU 37 HD22 LEU 37 8.228 1.488 -2.901 263 HD23 LEU 37 HD23 LEU 37 6.909 0.390 -2.424 264 H THR 38 H THR 38 11.370 0.989 -0.916 265 HA THR 38 HA THR 38 12.342 1.328 -3.553 266 HB THR 38 HB THR 38 12.724 3.103 -1.129 267 HG1 THR 38 HG1 THR 38 10.905 4.093 -1.932 268 HG21 THR 38 HG21 THR 38 14.242 3.792 -2.972 269 HG22 THR 38 HG22 THR 38 12.911 4.936 -2.810 270 HG23 THR 38 HG23 THR 38 12.894 3.737 -4.127 271 HA PRO 39 HA PRO 39 16.554 -0.202 -2.862 272 HB2 PRO 39 HB2 PRO 39 17.624 0.208 -5.330 273 HB3 PRO 39 HB3 PRO 39 16.425 -1.081 -4.997 274 HG2 PRO 39 HG2 PRO 39 15.917 1.687 -6.144 275 HG3 PRO 39 HG3 PRO 39 15.350 0.102 -6.769 276 HD2 PRO 39 HD2 PRO 39 13.769 1.668 -5.204 277 HD3 PRO 39 HD3 PRO 39 13.741 -0.119 -5.058 278 H ARG 40 H ARG 40 18.614 0.673 -2.539 279 HA ARG 40 HA ARG 40 18.684 3.612 -2.165 280 HB2 ARG 40 HB2 ARG 40 20.692 1.474 -1.356 281 HB3 ARG 40 HB3 ARG 40 20.749 3.179 -0.899 282 HG2 ARG 40 HG2 ARG 40 18.688 1.106 -0.037 283 HG3 ARG 40 HG3 ARG 40 19.913 1.893 0.953 284 HD2 ARG 40 HD2 ARG 40 18.755 4.120 0.420 285 HD3 ARG 40 HD3 ARG 40 17.442 3.186 -0.288 286 HE ARG 40 HE ARG 40 18.241 3.322 2.570 287 HH11 ARG 40 HH11 ARG 40 15.865 1.940 0.326 288 HH12 ARG 40 HH12 ARG 40 14.780 1.591 1.640 289 HH21 ARG 40 HH21 ARG 40 16.718 2.937 4.098 290 HH22 ARG 40 HH22 ARG 40 15.144 2.343 3.641 291 H ARG 41 H ARG 41 20.269 4.946 -2.872 292 HA ARG 41 HA ARG 41 21.288 6.116 -4.519 293 HB2 ARG 41 HB2 ARG 41 22.581 3.523 -5.391 294 HB3 ARG 41 HB3 ARG 41 23.026 5.149 -5.899 295 HG2 ARG 41 HG2 ARG 41 23.351 5.715 -3.408 296 HG3 ARG 41 HG3 ARG 41 23.276 3.975 -3.095 297 HD2 ARG 41 HD2 ARG 41 25.187 5.382 -4.995 298 HD3 ARG 41 HD3 ARG 41 25.600 4.853 -3.359 299 HE ARG 41 HE ARG 41 24.691 2.539 -4.558 300 HH11 ARG 41 HH11 ARG 41 27.271 4.774 -5.358 301 HH12 ARG 41 HH12 ARG 41 28.188 3.548 -6.202 302 HH21 ARG 41 HH21 ARG 41 25.914 1.030 -5.667 303 HH22 ARG 41 HH22 ARG 41 27.460 1.490 -6.328 304 H GLY 42 H GLY 42 21.414 6.580 -6.816 305 HA2 GLY 42 HA2 GLY 42 20.408 6.895 -8.883 306 HA3 GLY 42 HA3 GLY 42 19.565 5.357 -8.707 307 H GLY 43 H GLY 43 18.038 7.011 -9.870 308 HA2 GLY 43 HA2 GLY 43 15.722 7.385 -8.335 309 HA3 GLY 43 HA3 GLY 43 16.556 8.934 -8.302 310 H GLY 44 H GLY 44 14.084 8.845 -9.326 311 HA2 GLY 44 HA2 GLY 44 14.216 10.115 -11.816 312 HA3 GLY 44 HA3 GLY 44 13.876 8.411 -12.168 313 H SER 45 H SER 45 12.042 10.209 -12.963 314 HA SER 45 HA SER 45 9.877 10.508 -11.026 315 HB2 SER 45 HB2 SER 45 8.657 11.471 -12.964 316 HB3 SER 45 HB3 SER 45 10.178 12.284 -12.588 317 HG SER 45 HG SER 45 9.947 11.941 -14.843 318 H GLY 46 H GLY 46 7.778 9.603 -11.237 319 HA2 GLY 46 HA2 GLY 46 7.694 6.785 -12.043 320 HA3 GLY 46 HA3 GLY 46 6.415 7.692 -11.269 321 H GLY 47 H GLY 47 5.822 5.902 -13.233 322 HA2 GLY 47 HA2 GLY 47 5.478 7.082 -15.860 323 HA3 GLY 47 HA3 GLY 47 4.731 5.606 -15.243 324 H GLY 48 H GLY 48 3.825 7.727 -12.969 325 HA2 GLY 48 HA2 GLY 48 1.934 9.512 -14.108 326 HA3 GLY 48 HA3 GLY 48 1.095 8.015 -13.666 327 H SER 49 H SER 49 0.029 9.790 -12.297 328 HA SER 49 HA SER 49 1.407 10.624 -9.865 329 HB2 SER 49 HB2 SER 49 -1.530 10.874 -10.652 330 HB3 SER 49 HB3 SER 49 -0.725 11.697 -9.297 331 HG SER 49 HG SER 49 -0.898 13.012 -11.196 332 H MET 50 H MET 50 1.951 8.283 -9.553 333 HA MET 50 HA MET 50 0.316 7.429 -7.241 334 HB2 MET 50 HB2 MET 50 0.455 5.112 -7.715 335 HB3 MET 50 HB3 MET 50 -0.359 5.944 -9.037 336 HG2 MET 50 HG2 MET 50 1.817 5.961 -10.292 337 HG3 MET 50 HG3 MET 50 2.498 4.948 -9.011 338 HE1 MET 50 HE1 MET 50 2.697 4.155 -12.028 339 HE2 MET 50 HE2 MET 50 3.283 3.098 -10.712 340 HE3 MET 50 HE3 MET 50 2.236 2.433 -11.984 341 H ASP 51 H ASP 51 1.463 7.220 -5.486 342 HA ASP 51 HA ASP 51 4.402 6.647 -5.600 343 HB2 ASP 51 HB2 ASP 51 3.971 9.012 -4.994 344 HB3 ASP 51 HB3 ASP 51 2.958 8.463 -3.649 345 H ALA 52 H ALA 52 5.263 5.366 -3.952 346 HA ALA 52 HA ALA 52 3.699 3.119 -3.259 347 HB1 ALA 52 HB1 ALA 52 6.147 3.082 -3.514 348 HB2 ALA 52 HB2 ALA 52 6.320 4.059 -2.030 349 HB3 ALA 52 HB3 ALA 52 5.644 2.415 -1.950 350 H LYS 53 H LYS 53 4.397 6.030 -1.253 351 HA LYS 53 HA LYS 53 3.347 4.994 1.204 352 HB2 LYS 53 HB2 LYS 53 4.766 7.077 0.772 353 HB3 LYS 53 HB3 LYS 53 3.294 7.919 0.303 354 HG2 LYS 53 HG2 LYS 53 3.666 6.520 2.979 355 HG3 LYS 53 HG3 LYS 53 4.152 8.198 2.692 356 HD2 LYS 53 HD2 LYS 53 1.877 8.913 2.351 357 HD3 LYS 53 HD3 LYS 53 1.297 7.252 2.329 358 HE2 LYS 53 HE2 LYS 53 2.267 7.002 4.689 359 HE3 LYS 53 HE3 LYS 53 2.392 8.760 4.710 360 HZ1 LYS 53 HZ1 LYS 53 -0.009 8.860 4.285 361 HZ2 LYS 53 HZ2 LYS 53 0.271 7.978 5.636 362 HZ3 LYS 53 HZ3 LYS 53 -0.119 7.224 4.230 363 H GLU 54 H GLU 54 1.766 6.929 -1.309 364 HA GLU 54 HA GLU 54 -0.867 6.861 -0.175 365 HB2 GLU 54 HB2 GLU 54 0.007 8.420 -1.990 366 HB3 GLU 54 HB3 GLU 54 -0.116 7.071 -3.119 367 HG2 GLU 54 HG2 GLU 54 -2.042 8.429 -3.410 368 HG3 GLU 54 HG3 GLU 54 -2.592 6.947 -2.633 369 H ILE 55 H ILE 55 0.700 4.660 -2.545 370 HA ILE 55 HA ILE 55 -1.534 2.962 -3.048 371 HB ILE 55 HB ILE 55 1.454 2.418 -3.112 372 HG12 ILE 55 HG12 ILE 55 -0.430 2.701 -5.489 373 HG13 ILE 55 HG13 ILE 55 0.284 4.129 -4.751 374 HG21 ILE 55 HG21 ILE 55 0.766 0.442 -4.591 375 HG22 ILE 55 HG22 ILE 55 0.427 0.261 -2.868 376 HG23 ILE 55 HG23 ILE 55 -0.881 0.676 -3.994 377 HD11 ILE 55 HD11 ILE 55 1.625 3.387 -6.666 378 HD12 ILE 55 HD12 ILE 55 2.562 3.269 -5.167 379 HD13 ILE 55 HD13 ILE 55 1.898 1.812 -5.909 380 H LEU 56 H LEU 56 1.095 2.597 -0.568 381 HA LEU 56 HA LEU 56 -0.116 0.301 0.662 382 HB2 LEU 56 HB2 LEU 56 2.029 2.286 1.463 383 HB3 LEU 56 HB3 LEU 56 1.313 1.255 2.693 384 HG LEU 56 HG LEU 56 3.264 0.212 2.110 385 HD11 LEU 56 HD11 LEU 56 2.629 -1.960 1.373 386 HD12 LEU 56 HD12 LEU 56 1.231 -1.352 0.473 387 HD13 LEU 56 HD13 LEU 56 1.232 -1.277 2.256 388 HD21 LEU 56 HD21 LEU 56 2.494 0.436 -0.806 389 HD22 LEU 56 HD22 LEU 56 3.875 -0.514 -0.178 390 HD23 LEU 56 HD23 LEU 56 3.842 1.240 0.046 391 H THR 57 H THR 57 -0.506 3.798 1.307 392 HA THR 57 HA THR 57 -2.051 3.534 3.687 393 HB THR 57 HB THR 57 -2.187 5.721 1.578 394 HG1 THR 57 HG1 THR 57 -0.155 5.481 2.511 395 HG21 THR 57 HG21 THR 57 -2.974 7.147 3.441 396 HG22 THR 57 HG22 THR 57 -3.084 5.718 4.493 397 HG23 THR 57 HG23 THR 57 -4.136 5.874 3.059 398 H ARG 58 H ARG 58 -3.179 3.723 0.248 399 HA ARG 58 HA ARG 58 -5.979 3.277 0.825 400 HB2 ARG 58 HB2 ARG 58 -4.332 2.585 -1.644 401 HB3 ARG 58 HB3 ARG 58 -6.082 2.397 -1.492 402 HG2 ARG 58 HG2 ARG 58 -6.370 4.824 -1.176 403 HG3 ARG 58 HG3 ARG 58 -4.612 5.051 -1.296 404 HD2 ARG 58 HD2 ARG 58 -5.571 5.532 -3.463 405 HD3 ARG 58 HD3 ARG 58 -4.661 4.012 -3.579 406 HE ARG 58 HE ARG 58 -7.299 3.263 -2.987 407 HH11 ARG 58 HH11 ARG 58 -5.818 4.976 -5.665 408 HH12 ARG 58 HH12 ARG 58 -6.975 4.335 -6.804 409 HH21 ARG 58 HH21 ARG 58 -8.612 2.398 -4.470 410 HH22 ARG 58 HH22 ARG 58 -8.575 2.961 -6.129 411 H PHE 59 H PHE 59 -3.328 0.961 0.086 412 HA PHE 59 HA PHE 59 -4.994 -1.339 0.036 413 HB2 PHE 59 HB2 PHE 59 -2.781 -1.167 -1.010 414 HB3 PHE 59 HB3 PHE 59 -2.014 -0.996 0.563 415 HD1 PHE 59 HD1 PHE 59 -4.360 -3.379 -1.183 416 HD2 PHE 59 HD2 PHE 59 -1.016 -2.880 1.499 417 HE1 PHE 59 HE1 PHE 59 -4.262 -5.827 -0.863 418 HE2 PHE 59 HE2 PHE 59 -0.882 -5.335 1.762 419 HZ PHE 59 HZ PHE 59 -2.519 -6.821 0.608 420 H LYS 60 H LYS 60 -3.222 0.142 2.769 421 HA LYS 60 HA LYS 60 -3.997 -1.966 4.579 422 HB2 LYS 60 HB2 LYS 60 -1.994 -0.411 4.821 423 HB3 LYS 60 HB3 LYS 60 -3.123 0.839 5.378 424 HG2 LYS 60 HG2 LYS 60 -3.834 -0.624 7.253 425 HG3 LYS 60 HG3 LYS 60 -2.847 -1.943 6.617 426 HD2 LYS 60 HD2 LYS 60 -0.814 -0.461 6.917 427 HD3 LYS 60 HD3 LYS 60 -1.856 0.701 7.761 428 HE2 LYS 60 HE2 LYS 60 -2.402 -0.914 9.472 429 HE3 LYS 60 HE3 LYS 60 -1.667 -2.237 8.553 430 HZ1 LYS 60 HZ1 LYS 60 0.501 -1.317 8.957 431 HZ2 LYS 60 HZ2 LYS 60 -0.253 -1.370 10.402 432 HZ3 LYS 60 HZ3 LYS 60 -0.127 0.058 9.632 433 H ASP 61 H ASP 61 -5.413 1.182 3.805 434 HA ASP 61 HA ASP 61 -7.573 1.065 5.723 435 HB2 ASP 61 HB2 ASP 61 -6.647 3.121 4.716 436 HB3 ASP 61 HB3 ASP 61 -7.258 2.638 3.135 437 H GLY 62 H GLY 62 -7.108 -0.666 2.782 438 HA2 GLY 62 HA2 GLY 62 -8.488 -2.356 1.909 439 HA3 GLY 62 HA3 GLY 62 -9.857 -1.758 2.851 440 H GLY 63 H GLY 63 -8.299 0.756 1.162 441 HA2 GLY 63 HA2 GLY 63 -10.441 1.053 -0.842 442 HA3 GLY 63 HA3 GLY 63 -9.146 2.191 -0.465 443 H LEU 64 H LEU 64 -7.700 -0.797 -0.869 444 HA LEU 64 HA LEU 64 -7.615 -0.841 -3.819 445 HB2 LEU 64 HB2 LEU 64 -5.733 0.635 -2.734 446 HB3 LEU 64 HB3 LEU 64 -5.075 -0.885 -2.152 447 HG LEU 64 HG LEU 64 -4.934 -1.620 -4.587 448 HD11 LEU 64 HD11 LEU 64 -6.550 -0.007 -5.576 449 HD12 LEU 64 HD12 LEU 64 -4.943 0.180 -6.283 450 HD13 LEU 64 HD13 LEU 64 -5.512 1.338 -5.056 451 HD21 LEU 64 HD21 LEU 64 -2.933 -0.223 -4.999 452 HD22 LEU 64 HD22 LEU 64 -3.013 -0.773 -3.315 453 HD23 LEU 64 HD23 LEU 64 -3.463 0.895 -3.711 454 H ASP 65 H ASP 65 -6.908 -2.901 -4.631 455 HA ASP 65 HA ASP 65 -7.015 -5.170 -2.695 456 HB2 ASP 65 HB2 ASP 65 -7.356 -5.289 -5.696 457 HB3 ASP 65 HB3 ASP 65 -7.643 -6.582 -4.537 458 H ARG 66 H ARG 66 -5.527 -6.994 -3.048 459 HA ARG 66 HA ARG 66 -2.872 -5.967 -3.048 460 HB2 ARG 66 HB2 ARG 66 -3.884 -7.988 -1.776 461 HB3 ARG 66 HB3 ARG 66 -3.512 -8.935 -3.221 462 HG2 ARG 66 HG2 ARG 66 -1.117 -8.401 -2.990 463 HG3 ARG 66 HG3 ARG 66 -1.483 -7.202 -1.749 464 HD2 ARG 66 HD2 ARG 66 -0.661 -9.015 -0.543 465 HD3 ARG 66 HD3 ARG 66 -2.398 -9.098 -0.303 466 HE ARG 66 HE ARG 66 -0.644 -10.941 -1.849 467 HH11 ARG 66 HH11 ARG 66 -4.008 -10.372 -0.955 468 HH12 ARG 66 HH12 ARG 66 -4.433 -12.009 -1.370 469 HH21 ARG 66 HH21 ARG 66 -1.202 -12.840 -2.270 470 HH22 ARG 66 HH22 ARG 66 -2.868 -13.418 -2.125 471 H ALA 67 H ALA 67 -4.613 -7.618 -5.624 472 HA ALA 67 HA ALA 67 -2.400 -8.031 -7.404 473 HB1 ALA 67 HB1 ALA 67 -4.166 -8.217 -9.120 474 HB2 ALA 67 HB2 ALA 67 -4.602 -9.114 -7.654 475 HB3 ALA 67 HB3 ALA 67 -5.361 -7.533 -7.983 476 H ALA 68 H ALA 68 -4.576 -5.216 -6.922 477 HA ALA 68 HA ALA 68 -3.332 -3.605 -8.993 478 HB1 ALA 68 HB1 ALA 68 -5.140 -2.867 -6.656 479 HB2 ALA 68 HB2 ALA 68 -4.686 -1.794 -7.995 480 HB3 ALA 68 HB3 ALA 68 -5.665 -3.239 -8.309 481 H ALA 69 H ALA 69 -2.919 -3.890 -5.413 482 HA ALA 69 HA ALA 69 -1.021 -1.815 -5.103 483 HB1 ALA 69 HB1 ALA 69 -2.171 -3.016 -3.249 484 HB2 ALA 69 HB2 ALA 69 -1.160 -4.438 -3.563 485 HB3 ALA 69 HB3 ALA 69 -0.419 -2.912 -3.031 486 H GLN 70 H GLN 70 -0.425 -5.305 -5.901 487 HA GLN 70 HA GLN 70 2.391 -5.117 -6.170 488 HB2 GLN 70 HB2 GLN 70 0.352 -6.906 -7.554 489 HB3 GLN 70 HB3 GLN 70 2.120 -7.095 -7.724 490 HG2 GLN 70 HG2 GLN 70 2.403 -7.571 -5.396 491 HG3 GLN 70 HG3 GLN 70 0.741 -7.132 -5.025 492 HE21 GLN 70 HE21 GLN 70 1.086 -9.399 -3.994 493 HE22 GLN 70 HE22 GLN 70 0.609 -10.759 -4.991 494 H ALA 71 H ALA 71 -0.135 -4.626 -8.698 495 HA ALA 71 HA ALA 71 1.599 -4.151 -10.877 496 HB1 ALA 71 HB1 ALA 71 -1.184 -3.004 -10.311 497 HB2 ALA 71 HB2 ALA 71 -0.378 -3.066 -11.894 498 HB3 ALA 71 HB3 ALA 71 -0.832 -4.575 -11.070 499 H LEU 72 H LEU 72 0.050 -1.752 -8.710 500 HA LEU 72 HA LEU 72 1.236 0.556 -9.917 501 HB2 LEU 72 HB2 LEU 72 -0.196 -0.052 -7.311 502 HB3 LEU 72 HB3 LEU 72 0.421 1.545 -7.660 503 HG LEU 72 HG LEU 72 -1.105 2.055 -9.243 504 HD11 LEU 72 HD11 LEU 72 -0.916 0.173 -10.805 505 HD12 LEU 72 HD12 LEU 72 -2.580 0.634 -10.500 506 HD13 LEU 72 HD13 LEU 72 -1.930 -0.823 -9.719 507 HD21 LEU 72 HD21 LEU 72 -2.638 0.061 -7.548 508 HD22 LEU 72 HD22 LEU 72 -3.298 1.493 -8.363 509 HD23 LEU 72 HD23 LEU 72 -2.155 1.702 -7.024 510 H LEU 73 H LEU 73 2.289 -1.406 -7.079 511 HA LEU 73 HA LEU 73 4.568 0.304 -6.480 512 HB2 LEU 73 HB2 LEU 73 3.919 -2.594 -5.797 513 HB3 LEU 73 HB3 LEU 73 5.331 -1.744 -5.207 514 HG LEU 73 HG LEU 73 2.445 -0.934 -4.636 515 HD11 LEU 73 HD11 LEU 73 2.888 -1.715 -2.365 516 HD12 LEU 73 HD12 LEU 73 4.535 -2.205 -2.826 517 HD13 LEU 73 HD13 LEU 73 3.120 -3.036 -3.520 518 HD21 LEU 73 HD21 LEU 73 3.871 1.043 -4.581 519 HD22 LEU 73 HD22 LEU 73 5.013 0.192 -3.525 520 HD23 LEU 73 HD23 LEU 73 3.384 0.580 -2.953 521 H ALA 74 H ALA 74 4.186 -2.525 -8.599 522 HA ALA 74 HA ALA 74 6.976 -2.599 -9.351 523 HB1 ALA 74 HB1 ALA 74 5.500 -4.566 -9.487 524 HB2 ALA 74 HB2 ALA 74 4.540 -3.754 -10.751 525 HB3 ALA 74 HB3 ALA 74 6.243 -4.192 -11.050 526 H GLY 75 H GLY 75 4.789 -0.164 -9.997 527 HA2 GLY 75 HA2 GLY 75 5.191 1.766 -11.196 528 HA3 GLY 75 HA3 GLY 75 6.548 1.006 -12.012 529 H ARG 76 H ARG 76 3.446 -0.609 -12.135 530 HA ARG 76 HA ARG 76 2.860 0.443 -14.884 531 HB2 ARG 76 HB2 ARG 76 2.382 -1.770 -15.688 532 HB3 ARG 76 HB3 ARG 76 4.035 -1.724 -15.096 533 HG2 ARG 76 HG2 ARG 76 3.545 -3.015 -13.180 534 HG3 ARG 76 HG3 ARG 76 1.798 -2.750 -13.304 535 HD2 ARG 76 HD2 ARG 76 3.426 -4.312 -15.335 536 HD3 ARG 76 HD3 ARG 76 2.543 -5.050 -13.988 537 HE ARG 76 HE ARG 76 0.608 -3.506 -15.217 538 HH11 ARG 76 HH11 ARG 76 2.619 -6.110 -16.435 539 HH12 ARG 76 HH12 ARG 76 1.430 -6.562 -17.629 540 HH21 ARG 76 HH21 ARG 76 -0.773 -4.053 -16.740 541 HH22 ARG 76 HH22 ARG 76 -0.466 -5.417 -17.805 542 H THR 77 H THR 77 0.610 -0.568 -15.577 543 HA THR 77 HA THR 77 -1.334 -0.222 -13.333 544 HB THR 77 HB THR 77 -2.980 0.414 -15.138 545 HG1 THR 77 HG1 THR 77 -1.903 -0.309 -16.956 546 HG21 THR 77 HG21 THR 77 -1.892 2.097 -13.687 547 HG22 THR 77 HG22 THR 77 -2.201 2.719 -15.308 548 HG23 THR 77 HG23 THR 77 -0.559 2.236 -14.845 549 HA PRO 78 HA PRO 78 -2.781 -4.353 -14.338 550 HB2 PRO 78 HB2 PRO 78 -5.224 -4.388 -13.142 551 HB3 PRO 78 HB3 PRO 78 -3.695 -4.327 -12.206 552 HG2 PRO 78 HG2 PRO 78 -5.499 -2.005 -12.979 553 HG3 PRO 78 HG3 PRO 78 -4.848 -2.396 -11.358 554 HD2 PRO 78 HD2 PRO 78 -3.661 -0.583 -13.016 555 HD3 PRO 78 HD3 PRO 78 -2.696 -1.637 -11.938 556 H ALA 79 H ALA 79 -4.565 -5.432 -15.560 557 HA ALA 79 HA ALA 79 -5.489 -3.785 -17.819 558 HB1 ALA 79 HB1 ALA 79 -5.883 -5.950 -18.905 559 HB2 ALA 79 HB2 ALA 79 -4.261 -5.897 -18.185 560 HB3 ALA 79 HB3 ALA 79 -5.562 -6.805 -17.376 561 H ALA 80 H ALA 80 -6.819 -3.916 -15.022 562 HA ALA 80 HA ALA 80 -9.516 -4.895 -15.502 563 HB1 ALA 80 HB1 ALA 80 -8.425 -5.044 -13.306 564 HB2 ALA 80 HB2 ALA 80 -8.336 -3.272 -13.218 565 HB3 ALA 80 HB3 ALA 80 -9.913 -4.088 -13.212 566 H ALA 81 H ALA 81 -11.425 -3.574 -15.150 567 HA ALA 81 HA ALA 81 -12.896 -2.045 -15.950 568 HB1 ALA 81 HB1 ALA 81 -10.960 -0.253 -14.456 569 HB2 ALA 81 HB2 ALA 81 -12.675 0.090 -14.784 570 HB3 ALA 81 HB3 ALA 81 -12.226 -1.269 -13.735 571 HA PRO 82 HA PRO 82 -10.691 -0.366 -19.699 572 HB2 PRO 82 HB2 PRO 82 -11.657 -1.968 -21.644 573 HB3 PRO 82 HB3 PRO 82 -10.360 -2.502 -20.542 574 HG2 PRO 82 HG2 PRO 82 -13.339 -3.070 -20.260 575 HG3 PRO 82 HG3 PRO 82 -11.981 -4.241 -20.249 576 HD2 PRO 82 HD2 PRO 82 -13.040 -3.209 -17.945 577 HD3 PRO 82 HD3 PRO 82 -11.300 -3.580 -18.108 578 H ARG 83 H ARG 83 -12.237 1.249 -18.665 579 HA ARG 83 HA ARG 83 -14.008 2.689 -18.618 580 HB2 ARG 83 HB2 ARG 83 -13.782 2.420 -21.626 581 HB3 ARG 83 HB3 ARG 83 -14.605 3.726 -20.755 582 HG2 ARG 83 HG2 ARG 83 -12.456 4.323 -19.630 583 HG3 ARG 83 HG3 ARG 83 -11.618 3.116 -20.615 584 HD2 ARG 83 HD2 ARG 83 -13.170 5.514 -21.681 585 HD3 ARG 83 HD3 ARG 83 -11.407 5.408 -21.513 586 HE ARG 83 HE ARG 83 -12.124 3.203 -23.072 587 HH11 ARG 83 HH11 ARG 83 -12.346 6.680 -23.453 588 HH12 ARG 83 HH12 ARG 83 -12.318 6.581 -25.194 589 HH21 ARG 83 HH21 ARG 83 -12.102 3.152 -25.292 590 HH22 ARG 83 HH22 ARG 83 -12.193 4.635 -26.204 591 HA PRO 84 HA PRO 84 -17.342 -0.576 -19.201 592 HB2 PRO 84 HB2 PRO 84 -18.008 -0.964 -16.580 593 HB3 PRO 84 HB3 PRO 84 -16.696 -1.856 -17.405 594 HG2 PRO 84 HG2 PRO 84 -16.443 0.630 -15.669 595 HG3 PRO 84 HG3 PRO 84 -15.506 -0.897 -15.557 596 HD2 PRO 84 HD2 PRO 84 -14.528 1.253 -16.881 597 HD3 PRO 84 HD3 PRO 84 -14.287 -0.402 -17.518 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 11.170 -13.610 -24.147 2 H2 GLY 1 H2 GLY 1 9.542 -13.556 -24.275 3 H3 GLY 1 H3 GLY 1 10.324 -12.495 -23.310 4 HA2 GLY 1 HA2 GLY 1 10.468 -12.625 -26.249 5 HA3 GLY 1 HA3 GLY 1 9.669 -11.365 -25.296 6 HA PRO 2 HA PRO 2 13.865 -9.821 -26.471 7 HB2 PRO 2 HB2 PRO 2 12.282 -7.258 -26.352 8 HB3 PRO 2 HB3 PRO 2 13.531 -7.758 -27.532 9 HG2 PRO 2 HG2 PRO 2 10.917 -7.910 -28.216 10 HG3 PRO 2 HG3 PRO 2 12.022 -9.273 -28.600 11 HD2 PRO 2 HD2 PRO 2 10.115 -8.995 -26.251 12 HD3 PRO 2 HD3 PRO 2 10.318 -10.370 -27.380 13 H GLY 3 H GLY 3 15.364 -8.427 -25.413 14 HA2 GLY 3 HA2 GLY 3 14.864 -6.971 -22.982 15 HA3 GLY 3 HA3 GLY 3 15.539 -8.555 -22.611 16 H SER 4 H SER 4 17.005 -6.492 -21.788 17 HA SER 4 HA SER 4 19.432 -6.557 -23.466 18 HB2 SER 4 HB2 SER 4 18.109 -4.571 -24.236 19 HB3 SER 4 HB3 SER 4 18.219 -3.911 -22.595 20 HG SER 4 HG SER 4 19.856 -3.134 -24.033 21 H TYR 5 H TYR 5 21.307 -6.093 -22.352 22 HA TYR 5 HA TYR 5 22.778 -6.311 -20.652 23 HB2 TYR 5 HB2 TYR 5 22.069 -3.879 -20.774 24 HB3 TYR 5 HB3 TYR 5 21.094 -4.156 -19.342 25 HD1 TYR 5 HD1 TYR 5 24.620 -4.863 -20.538 26 HD2 TYR 5 HD2 TYR 5 22.094 -3.421 -17.338 27 HE1 TYR 5 HE1 TYR 5 26.627 -4.381 -19.158 28 HE2 TYR 5 HE2 TYR 5 24.114 -2.951 -15.961 29 HH TYR 5 HH TYR 5 27.434 -3.616 -17.161 30 H THR 6 H THR 6 22.089 -5.688 -17.720 31 HA THR 6 HA THR 6 21.744 -8.471 -16.973 32 HB THR 6 HB THR 6 22.128 -7.623 -14.670 33 HG1 THR 6 HG1 THR 6 22.555 -5.449 -14.391 34 HG21 THR 6 HG21 THR 6 24.417 -6.871 -14.969 35 HG22 THR 6 HG22 THR 6 24.113 -6.465 -16.669 36 HG23 THR 6 HG23 THR 6 24.060 -8.162 -16.124 37 H GLY 7 H GLY 7 19.364 -6.231 -17.620 38 HA2 GLY 7 HA2 GLY 7 17.067 -6.330 -17.307 39 HA3 GLY 7 HA3 GLY 7 17.274 -7.855 -16.460 40 H ALA 8 H ALA 8 16.122 -7.639 -14.651 41 HA ALA 8 HA ALA 8 15.266 -6.937 -12.717 42 HB1 ALA 8 HB1 ALA 8 16.832 -6.191 -11.021 43 HB2 ALA 8 HB2 ALA 8 17.564 -7.447 -12.045 44 HB3 ALA 8 HB3 ALA 8 18.015 -5.739 -12.256 45 H GLY 9 H GLY 9 14.549 -5.242 -14.831 46 HA2 GLY 9 HA2 GLY 9 14.623 -2.438 -14.116 47 HA3 GLY 9 HA3 GLY 9 13.623 -3.211 -15.353 48 H GLU 10 H GLU 10 12.669 -4.968 -12.881 49 HA GLU 10 HA GLU 10 10.710 -3.069 -11.682 50 HB2 GLU 10 HB2 GLU 10 10.096 -5.686 -13.116 51 HB3 GLU 10 HB3 GLU 10 8.948 -4.839 -12.070 52 HG2 GLU 10 HG2 GLU 10 9.067 -2.848 -13.572 53 HG3 GLU 10 HG3 GLU 10 10.104 -3.763 -14.667 54 HA PRO 11 HA PRO 11 11.491 -5.607 -8.006 55 HB2 PRO 11 HB2 PRO 11 9.206 -5.223 -6.553 56 HB3 PRO 11 HB3 PRO 11 10.449 -3.951 -6.766 57 HG2 PRO 11 HG2 PRO 11 7.892 -4.339 -8.364 58 HG3 PRO 11 HG3 PRO 11 8.487 -2.839 -7.587 59 HD2 PRO 11 HD2 PRO 11 8.882 -3.368 -10.220 60 HD3 PRO 11 HD3 PRO 11 10.150 -2.561 -9.254 61 H SER 12 H SER 12 10.871 -7.622 -7.093 62 HA SER 12 HA SER 12 9.519 -9.479 -8.895 63 HB2 SER 12 HB2 SER 12 10.626 -9.845 -6.099 64 HB3 SER 12 HB3 SER 12 9.945 -11.135 -7.116 65 HG SER 12 HG SER 12 12.187 -9.482 -7.754 66 H GLN 13 H GLN 13 7.447 -10.038 -8.974 67 HA GLN 13 HA GLN 13 5.429 -8.862 -7.400 68 HB2 GLN 13 HB2 GLN 13 3.905 -10.398 -8.477 69 HB3 GLN 13 HB3 GLN 13 5.056 -9.728 -9.632 70 HG2 GLN 13 HG2 GLN 13 6.382 -11.870 -9.493 71 HG3 GLN 13 HG3 GLN 13 5.181 -12.526 -8.385 72 HE21 GLN 13 HE21 GLN 13 5.475 -14.139 -10.414 73 HE22 GLN 13 HE22 GLN 13 4.227 -13.927 -11.626 74 H ALA 14 H ALA 14 7.247 -11.795 -6.790 75 HA ALA 14 HA ALA 14 5.515 -12.769 -4.664 76 HB1 ALA 14 HB1 ALA 14 7.297 -14.446 -4.388 77 HB2 ALA 14 HB2 ALA 14 6.860 -14.277 -6.098 78 HB3 ALA 14 HB3 ALA 14 8.351 -13.518 -5.482 79 H ASP 15 H ASP 15 8.325 -10.642 -4.816 80 HA ASP 15 HA ASP 15 8.815 -10.626 -1.922 81 HB2 ASP 15 HB2 ASP 15 10.611 -10.195 -3.575 82 HB3 ASP 15 HB3 ASP 15 9.752 -8.744 -4.113 83 H LEU 16 H LEU 16 7.059 -8.686 -4.233 84 HA LEU 16 HA LEU 16 6.003 -6.754 -2.365 85 HB2 LEU 16 HB2 LEU 16 4.925 -7.845 -5.014 86 HB3 LEU 16 HB3 LEU 16 4.163 -6.531 -4.129 87 HG LEU 16 HG LEU 16 7.043 -6.373 -5.060 88 HD11 LEU 16 HD11 LEU 16 5.629 -6.654 -7.038 89 HD12 LEU 16 HD12 LEU 16 6.201 -4.988 -6.922 90 HD13 LEU 16 HD13 LEU 16 4.535 -5.370 -6.464 91 HD21 LEU 16 HD21 LEU 16 5.003 -4.295 -4.236 92 HD22 LEU 16 HD22 LEU 16 6.633 -3.934 -4.848 93 HD23 LEU 16 HD23 LEU 16 6.447 -4.773 -3.304 94 H ASP 17 H ASP 17 4.579 -9.842 -3.602 95 HA ASP 17 HA ASP 17 2.256 -9.799 -2.031 96 HB2 ASP 17 HB2 ASP 17 2.793 -11.384 -3.907 97 HB3 ASP 17 HB3 ASP 17 3.943 -12.214 -2.877 98 H ALA 18 H ALA 18 5.501 -10.980 -1.116 99 HA ALA 18 HA ALA 18 4.730 -12.097 1.424 100 HB1 ALA 18 HB1 ALA 18 6.772 -12.733 0.204 101 HB2 ALA 18 HB2 ALA 18 7.427 -11.093 0.430 102 HB3 ALA 18 HB3 ALA 18 7.154 -12.154 1.836 103 H LEU 19 H LEU 19 6.025 -8.898 0.487 104 HA LEU 19 HA LEU 19 6.176 -7.789 3.128 105 HB2 LEU 19 HB2 LEU 19 7.370 -6.869 1.155 106 HB3 LEU 19 HB3 LEU 19 5.821 -6.521 0.377 107 HG LEU 19 HG LEU 19 5.330 -4.964 2.401 108 HD11 LEU 19 HD11 LEU 19 7.272 -4.088 3.568 109 HD12 LEU 19 HD12 LEU 19 8.355 -5.195 2.686 110 HD13 LEU 19 HD13 LEU 19 7.170 -5.820 3.859 111 HD21 LEU 19 HD21 LEU 19 5.738 -4.136 0.203 112 HD22 LEU 19 HD22 LEU 19 7.498 -4.334 0.393 113 HD23 LEU 19 HD23 LEU 19 6.620 -3.139 1.368 114 H LEU 20 H LEU 20 3.665 -7.618 0.580 115 HA LEU 20 HA LEU 20 1.974 -5.792 1.886 116 HB2 LEU 20 HB2 LEU 20 1.490 -7.927 -0.181 117 HB3 LEU 20 HB3 LEU 20 0.227 -6.788 0.258 118 HG LEU 20 HG LEU 20 2.927 -5.782 -0.722 119 HD11 LEU 20 HD11 LEU 20 1.983 -5.565 -2.961 120 HD12 LEU 20 HD12 LEU 20 0.461 -6.329 -2.428 121 HD13 LEU 20 HD13 LEU 20 1.973 -7.264 -2.486 122 HD21 LEU 20 HD21 LEU 20 1.446 -4.153 0.396 123 HD22 LEU 20 HD22 LEU 20 0.156 -4.549 -0.770 124 HD23 LEU 20 HD23 LEU 20 1.666 -3.801 -1.330 125 H SER 21 H SER 21 1.984 -9.396 2.036 126 HA SER 21 HA SER 21 -0.387 -9.759 3.580 127 HB2 SER 21 HB2 SER 21 2.222 -11.320 3.460 128 HB3 SER 21 HB3 SER 21 0.820 -11.841 4.425 129 HG SER 21 HG SER 21 0.813 -12.775 2.362 130 H ALA 22 H ALA 22 2.870 -8.734 4.634 131 HA ALA 22 HA ALA 22 2.238 -9.112 7.451 132 HB1 ALA 22 HB1 ALA 22 4.549 -7.591 6.169 133 HB2 ALA 22 HB2 ALA 22 4.449 -8.221 7.831 134 HB3 ALA 22 HB3 ALA 22 4.526 -9.345 6.472 135 H VAL 23 H VAL 23 1.993 -6.365 5.172 136 HA VAL 23 HA VAL 23 1.352 -4.512 7.395 137 HB VAL 23 HB VAL 23 2.630 -3.555 5.686 138 HG11 VAL 23 HG11 VAL 23 1.929 -3.296 3.387 139 HG12 VAL 23 HG12 VAL 23 2.152 -4.979 3.838 140 HG13 VAL 23 HG13 VAL 23 0.499 -4.311 3.681 141 HG21 VAL 23 HG21 VAL 23 0.853 -2.104 6.696 142 HG22 VAL 23 HG22 VAL 23 1.370 -1.606 5.078 143 HG23 VAL 23 HG23 VAL 23 -0.175 -2.457 5.283 144 H ARG 24 H ARG 24 -0.413 -6.356 4.946 145 HA ARG 24 HA ARG 24 -3.022 -5.359 5.592 146 HB2 ARG 24 HB2 ARG 24 -2.397 -6.666 3.562 147 HB3 ARG 24 HB3 ARG 24 -2.155 -8.094 4.550 148 HG2 ARG 24 HG2 ARG 24 -4.255 -8.205 3.348 149 HG3 ARG 24 HG3 ARG 24 -4.565 -8.175 5.073 150 HD2 ARG 24 HD2 ARG 24 -4.719 -5.688 3.308 151 HD3 ARG 24 HD3 ARG 24 -6.086 -6.785 3.556 152 HE ARG 24 HE ARG 24 -5.274 -6.196 6.122 153 HH11 ARG 24 HH11 ARG 24 -6.250 -4.099 3.463 154 HH12 ARG 24 HH12 ARG 24 -6.717 -2.834 4.578 155 HH21 ARG 24 HH21 ARG 24 -5.897 -4.498 7.416 156 HH22 ARG 24 HH22 ARG 24 -6.520 -3.040 6.672 157 H ASP 25 H ASP 25 -0.956 -7.615 7.243 158 HA ASP 25 HA ASP 25 -3.080 -8.436 9.134 159 HB2 ASP 25 HB2 ASP 25 -1.625 -10.113 7.972 160 HB3 ASP 25 HB3 ASP 25 -0.230 -9.454 8.842 161 H ASN 26 H ASN 26 -1.440 -5.753 8.963 162 HA ASN 26 HA ASN 26 -0.802 -4.130 10.351 163 HB2 ASN 26 HB2 ASN 26 -2.200 -5.728 12.509 164 HB3 ASN 26 HB3 ASN 26 -1.842 -4.006 12.561 165 HD21 ASN 26 HD21 ASN 26 -4.208 -6.312 11.721 166 HD22 ASN 26 HD22 ASN 26 -5.250 -5.216 10.820 167 H ARG 27 H ARG 27 1.035 -6.564 10.140 168 HA ARG 27 HA ARG 27 2.710 -6.167 12.582 169 HB2 ARG 27 HB2 ARG 27 2.602 -8.370 10.518 170 HB3 ARG 27 HB3 ARG 27 3.953 -8.167 11.645 171 HG2 ARG 27 HG2 ARG 27 2.313 -8.120 13.555 172 HG3 ARG 27 HG3 ARG 27 1.029 -8.541 12.427 173 HD2 ARG 27 HD2 ARG 27 3.543 -10.199 12.847 174 HD3 ARG 27 HD3 ARG 27 2.056 -10.408 13.770 175 HE ARG 27 HE ARG 27 0.895 -10.810 11.524 176 HH11 ARG 27 HH11 ARG 27 4.265 -11.790 11.904 177 HH12 ARG 27 HH12 ARG 27 4.096 -13.019 10.683 178 HH21 ARG 27 HH21 ARG 27 0.761 -12.304 10.113 179 HH22 ARG 27 HH22 ARG 27 2.118 -13.330 9.665 180 H LEU 28 H LEU 28 2.589 -5.032 9.370 181 HA LEU 28 HA LEU 28 5.369 -3.966 9.610 182 HB2 LEU 28 HB2 LEU 28 4.860 -5.912 7.962 183 HB3 LEU 28 HB3 LEU 28 3.997 -4.726 7.017 184 HG LEU 28 HG LEU 28 6.113 -5.068 6.053 185 HD11 LEU 28 HD11 LEU 28 5.327 -2.708 6.208 186 HD12 LEU 28 HD12 LEU 28 7.077 -2.929 5.946 187 HD13 LEU 28 HD13 LEU 28 6.467 -2.517 7.551 188 HD21 LEU 28 HD21 LEU 28 7.313 -5.995 8.031 189 HD22 LEU 28 HD22 LEU 28 7.422 -4.355 8.714 190 HD23 LEU 28 HD23 LEU 28 8.261 -4.744 7.199 191 H SER 29 H SER 29 5.511 -1.764 9.295 192 HA SER 29 HA SER 29 2.993 -0.227 9.236 193 HB2 SER 29 HB2 SER 29 5.834 0.748 9.526 194 HB3 SER 29 HB3 SER 29 4.369 1.712 9.756 195 HG SER 29 HG SER 29 3.796 0.348 11.486 196 H ILE 30 H ILE 30 2.655 1.691 7.903 197 HA ILE 30 HA ILE 30 2.950 1.359 5.095 198 HB ILE 30 HB ILE 30 2.605 3.943 6.678 199 HG12 ILE 30 HG12 ILE 30 0.837 2.359 7.307 200 HG13 ILE 30 HG13 ILE 30 0.222 3.743 6.424 201 HG21 ILE 30 HG21 ILE 30 1.476 4.781 4.599 202 HG22 ILE 30 HG22 ILE 30 3.207 4.471 4.405 203 HG23 ILE 30 HG23 ILE 30 2.023 3.321 3.765 204 HD11 ILE 30 HD11 ILE 30 -0.914 1.720 5.710 205 HD12 ILE 30 HD12 ILE 30 0.008 2.397 4.379 206 HD13 ILE 30 HD13 ILE 30 0.620 0.959 5.247 207 H GLU 31 H GLU 31 4.856 3.516 7.274 208 HA GLU 31 HA GLU 31 6.609 4.419 5.195 209 HB2 GLU 31 HB2 GLU 31 6.985 4.400 8.212 210 HB3 GLU 31 HB3 GLU 31 7.986 5.296 7.058 211 HG2 GLU 31 HG2 GLU 31 5.952 6.544 6.307 212 HG3 GLU 31 HG3 GLU 31 5.001 5.728 7.541 213 H GLN 32 H GLN 32 6.812 1.656 7.382 214 HA GLN 32 HA GLN 32 9.544 0.899 6.811 215 HB2 GLN 32 HB2 GLN 32 7.111 -0.549 7.837 216 HB3 GLN 32 HB3 GLN 32 8.684 -1.349 7.657 217 HG2 GLN 32 HG2 GLN 32 9.661 0.222 9.289 218 HG3 GLN 32 HG3 GLN 32 8.092 1.048 9.437 219 HE21 GLN 32 HE21 GLN 32 9.244 0.084 11.757 220 HE22 GLN 32 HE22 GLN 32 8.329 -1.318 12.295 221 H ALA 33 H ALA 33 6.328 -0.135 5.452 222 HA ALA 33 HA ALA 33 7.480 -1.901 3.526 223 HB1 ALA 33 HB1 ALA 33 5.191 -2.215 4.092 224 HB2 ALA 33 HB2 ALA 33 4.783 -0.507 3.751 225 HB3 ALA 33 HB3 ALA 33 5.171 -1.626 2.429 226 H VAL 34 H VAL 34 7.047 1.607 3.401 227 HA VAL 34 HA VAL 34 7.711 1.796 0.550 228 HB VAL 34 HB VAL 34 7.611 3.866 2.772 229 HG11 VAL 34 HG11 VAL 34 7.672 5.554 0.960 230 HG12 VAL 34 HG12 VAL 34 9.194 4.671 1.082 231 HG13 VAL 34 HG13 VAL 34 8.042 4.267 -0.214 232 HG21 VAL 34 HG21 VAL 34 5.416 2.905 2.079 233 HG22 VAL 34 HG22 VAL 34 5.576 4.609 1.636 234 HG23 VAL 34 HG23 VAL 34 5.777 3.336 0.408 235 H THR 35 H THR 35 9.588 2.049 3.644 236 HA THR 35 HA THR 35 11.990 2.684 2.178 237 HB THR 35 HB THR 35 11.435 3.250 4.615 238 HG1 THR 35 HG1 THR 35 13.613 3.507 4.938 239 HG21 THR 35 HG21 THR 35 11.325 0.886 5.488 240 HG22 THR 35 HG22 THR 35 12.490 1.914 6.311 241 HG23 THR 35 HG23 THR 35 13.057 0.722 5.125 242 H LEU 36 H LEU 36 10.622 -0.395 3.203 243 HA LEU 36 HA LEU 36 12.991 -1.936 2.427 244 HB2 LEU 36 HB2 LEU 36 10.136 -2.769 3.086 245 HB3 LEU 36 HB3 LEU 36 11.480 -3.887 2.820 246 HG LEU 36 HG LEU 36 11.285 -1.858 5.097 247 HD11 LEU 36 HD11 LEU 36 11.149 -4.898 5.077 248 HD12 LEU 36 HD12 LEU 36 9.763 -3.794 5.281 249 HD13 LEU 36 HD13 LEU 36 11.045 -3.835 6.500 250 HD21 LEU 36 HD21 LEU 36 13.614 -2.108 4.534 251 HD22 LEU 36 HD22 LEU 36 13.454 -3.877 4.454 252 HD23 LEU 36 HD23 LEU 36 13.282 -3.018 6.005 253 H LEU 37 H LEU 37 10.292 -0.675 0.644 254 HA LEU 37 HA LEU 37 10.245 -2.559 -1.521 255 HB2 LEU 37 HB2 LEU 37 8.390 -1.086 -1.077 256 HB3 LEU 37 HB3 LEU 37 9.413 0.339 -1.160 257 HG LEU 37 HG LEU 37 9.712 -0.048 -3.629 258 HD11 LEU 37 HD11 LEU 37 8.122 -1.534 -4.756 259 HD12 LEU 37 HD12 LEU 37 7.514 -2.101 -3.182 260 HD13 LEU 37 HD13 LEU 37 9.176 -2.475 -3.681 261 HD21 LEU 37 HD21 LEU 37 8.091 1.551 -2.804 262 HD22 LEU 37 HD22 LEU 37 6.916 0.265 -2.504 263 HD23 LEU 37 HD23 LEU 37 7.386 0.677 -4.175 264 H THR 38 H THR 38 12.224 0.296 -0.912 265 HA THR 38 HA THR 38 13.575 1.615 -2.154 266 HB THR 38 HB THR 38 14.141 -0.752 -3.951 267 HG1 THR 38 HG1 THR 38 15.881 -1.069 -2.599 268 HG21 THR 38 HG21 THR 38 15.697 1.807 -3.351 269 HG22 THR 38 HG22 THR 38 14.913 1.415 -4.909 270 HG23 THR 38 HG23 THR 38 16.278 0.453 -4.348 271 HA PRO 39 HA PRO 39 9.790 2.220 -4.628 272 HB2 PRO 39 HB2 PRO 39 10.279 5.101 -3.924 273 HB3 PRO 39 HB3 PRO 39 8.760 4.161 -3.851 274 HG2 PRO 39 HG2 PRO 39 10.139 4.705 -1.592 275 HG3 PRO 39 HG3 PRO 39 9.449 3.067 -1.844 276 HD2 PRO 39 HD2 PRO 39 12.290 3.991 -2.326 277 HD3 PRO 39 HD3 PRO 39 11.706 2.549 -1.452 278 H ARG 40 H ARG 40 9.120 3.412 -6.505 279 HA ARG 40 HA ARG 40 11.054 3.999 -8.575 280 HB2 ARG 40 HB2 ARG 40 8.107 4.688 -8.231 281 HB3 ARG 40 HB3 ARG 40 9.044 5.081 -9.676 282 HG2 ARG 40 HG2 ARG 40 9.552 2.702 -10.058 283 HG3 ARG 40 HG3 ARG 40 8.625 2.242 -8.623 284 HD2 ARG 40 HD2 ARG 40 7.419 3.768 -10.977 285 HD3 ARG 40 HD3 ARG 40 7.463 2.014 -10.890 286 HE ARG 40 HE ARG 40 5.944 2.001 -9.081 287 HH11 ARG 40 HH11 ARG 40 6.351 5.355 -10.129 288 HH12 ARG 40 HH12 ARG 40 4.847 5.826 -9.371 289 HH21 ARG 40 HH21 ARG 40 4.006 2.712 -8.306 290 HH22 ARG 40 HH22 ARG 40 3.748 4.433 -8.150 291 H ARG 41 H ARG 41 11.858 5.922 -9.307 292 HA ARG 41 HA ARG 41 11.578 8.315 -7.530 293 HB2 ARG 41 HB2 ARG 41 13.693 6.988 -7.235 294 HB3 ARG 41 HB3 ARG 41 14.095 7.338 -8.919 295 HG2 ARG 41 HG2 ARG 41 15.322 8.887 -7.565 296 HG3 ARG 41 HG3 ARG 41 14.045 9.805 -8.358 297 HD2 ARG 41 HD2 ARG 41 12.668 9.587 -6.238 298 HD3 ARG 41 HD3 ARG 41 14.038 8.788 -5.478 299 HE ARG 41 HE ARG 41 13.847 11.647 -6.351 300 HH11 ARG 41 HH11 ARG 41 15.821 9.284 -4.647 301 HH12 ARG 41 HH12 ARG 41 16.817 10.533 -3.947 302 HH21 ARG 41 HH21 ARG 41 15.090 13.109 -5.465 303 HH22 ARG 41 HH22 ARG 41 16.414 12.674 -4.394 304 H GLY 42 H GLY 42 11.182 10.226 -8.434 305 HA2 GLY 42 HA2 GLY 42 11.022 10.483 -11.409 306 HA3 GLY 42 HA3 GLY 42 10.164 11.464 -10.216 307 H GLY 43 H GLY 43 12.242 12.211 -8.483 308 HA2 GLY 43 HA2 GLY 43 14.662 13.157 -9.544 309 HA3 GLY 43 HA3 GLY 43 13.461 14.369 -9.970 310 H GLY 44 H GLY 44 14.269 15.997 -8.667 311 HA2 GLY 44 HA2 GLY 44 15.101 15.767 -5.954 312 HA3 GLY 44 HA3 GLY 44 14.644 17.258 -6.784 313 H SER 45 H SER 45 11.867 15.935 -7.221 314 HA SER 45 HA SER 45 10.629 16.686 -4.641 315 HB2 SER 45 HB2 SER 45 9.385 15.895 -7.303 316 HB3 SER 45 HB3 SER 45 8.502 16.452 -5.871 317 HG SER 45 HG SER 45 10.481 17.943 -7.319 318 H GLY 46 H GLY 46 12.069 13.900 -5.561 319 HA2 GLY 46 HA2 GLY 46 11.972 11.831 -4.382 320 HA3 GLY 46 HA3 GLY 46 10.342 12.196 -3.848 321 H GLY 47 H GLY 47 9.118 10.547 -4.611 322 HA2 GLY 47 HA2 GLY 47 9.539 9.132 -7.095 323 HA3 GLY 47 HA3 GLY 47 8.177 8.979 -5.998 324 H GLY 48 H GLY 48 7.855 8.804 -8.710 325 HA2 GLY 48 HA2 GLY 48 6.731 11.287 -9.828 326 HA3 GLY 48 HA3 GLY 48 6.720 9.683 -10.548 327 H SER 49 H SER 49 4.504 10.057 -11.114 328 HA SER 49 HA SER 49 2.357 10.441 -9.281 329 HB2 SER 49 HB2 SER 49 2.360 8.922 -11.922 330 HB3 SER 49 HB3 SER 49 0.929 9.538 -11.068 331 HG SER 49 HG SER 49 1.742 11.659 -11.343 332 H MET 50 H MET 50 0.899 9.038 -8.349 333 HA MET 50 HA MET 50 0.402 7.415 -6.834 334 HB2 MET 50 HB2 MET 50 1.219 5.520 -9.065 335 HB3 MET 50 HB3 MET 50 0.246 5.124 -7.637 336 HG2 MET 50 HG2 MET 50 -1.472 6.756 -8.361 337 HG3 MET 50 HG3 MET 50 -0.508 7.088 -9.809 338 HE1 MET 50 HE1 MET 50 -2.688 6.624 -11.296 339 HE2 MET 50 HE2 MET 50 -3.649 5.134 -11.171 340 HE3 MET 50 HE3 MET 50 -3.605 6.268 -9.812 341 H ASP 51 H ASP 51 2.191 8.211 -5.482 342 HA ASP 51 HA ASP 51 4.689 6.749 -5.397 343 HB2 ASP 51 HB2 ASP 51 4.334 9.113 -4.620 344 HB3 ASP 51 HB3 ASP 51 3.413 8.471 -3.256 345 H ALA 52 H ALA 52 5.391 5.278 -3.807 346 HA ALA 52 HA ALA 52 3.651 3.143 -3.142 347 HB1 ALA 52 HB1 ALA 52 5.559 2.318 -1.826 348 HB2 ALA 52 HB2 ALA 52 6.093 2.942 -3.395 349 HB3 ALA 52 HB3 ALA 52 6.336 3.915 -1.923 350 H LYS 53 H LYS 53 4.501 6.035 -1.224 351 HA LYS 53 HA LYS 53 3.392 5.314 1.295 352 HB2 LYS 53 HB2 LYS 53 4.795 7.309 0.833 353 HB3 LYS 53 HB3 LYS 53 3.519 7.998 -0.165 354 HG2 LYS 53 HG2 LYS 53 3.561 9.091 1.985 355 HG3 LYS 53 HG3 LYS 53 2.045 8.243 1.761 356 HD2 LYS 53 HD2 LYS 53 2.837 7.997 4.055 357 HD3 LYS 53 HD3 LYS 53 2.767 6.451 3.245 358 HE2 LYS 53 HE2 LYS 53 4.776 6.483 4.542 359 HE3 LYS 53 HE3 LYS 53 5.264 6.573 2.850 360 HZ1 LYS 53 HZ1 LYS 53 5.532 8.992 3.147 361 HZ2 LYS 53 HZ2 LYS 53 6.475 8.177 4.195 362 HZ3 LYS 53 HZ3 LYS 53 5.101 8.882 4.721 363 H GLU 54 H GLU 54 1.767 6.800 -1.524 364 HA GLU 54 HA GLU 54 -0.835 6.895 -0.205 365 HB2 GLU 54 HB2 GLU 54 -0.133 8.456 -2.003 366 HB3 GLU 54 HB3 GLU 54 -0.143 7.115 -3.160 367 HG2 GLU 54 HG2 GLU 54 -2.558 6.737 -2.674 368 HG3 GLU 54 HG3 GLU 54 -2.534 8.083 -1.529 369 H ILE 55 H ILE 55 0.765 4.668 -2.519 370 HA ILE 55 HA ILE 55 -1.475 2.987 -3.007 371 HB ILE 55 HB ILE 55 1.513 2.494 -3.140 372 HG12 ILE 55 HG12 ILE 55 -0.446 2.775 -5.449 373 HG13 ILE 55 HG13 ILE 55 0.260 4.196 -4.703 374 HG21 ILE 55 HG21 ILE 55 -0.800 0.692 -3.978 375 HG22 ILE 55 HG22 ILE 55 0.822 0.510 -4.636 376 HG23 ILE 55 HG23 ILE 55 0.565 0.292 -2.901 377 HD11 ILE 55 HD11 ILE 55 2.518 3.495 -5.248 378 HD12 ILE 55 HD12 ILE 55 1.934 1.958 -5.908 379 HD13 ILE 55 HD13 ILE 55 1.516 3.492 -6.698 380 H LEU 56 H LEU 56 1.127 2.585 -0.527 381 HA LEU 56 HA LEU 56 -0.087 0.273 0.683 382 HB2 LEU 56 HB2 LEU 56 1.996 2.286 1.530 383 HB3 LEU 56 HB3 LEU 56 1.262 1.276 2.757 384 HG LEU 56 HG LEU 56 3.254 0.245 2.241 385 HD11 LEU 56 HD11 LEU 56 1.263 -1.378 0.608 386 HD12 LEU 56 HD12 LEU 56 1.225 -1.265 2.379 387 HD13 LEU 56 HD13 LEU 56 2.643 -1.950 1.550 388 HD21 LEU 56 HD21 LEU 56 2.521 0.354 -0.682 389 HD22 LEU 56 HD22 LEU 56 3.944 -0.489 0.000 390 HD23 LEU 56 HD23 LEU 56 3.812 1.268 0.147 391 H THR 57 H THR 57 -0.538 3.764 1.332 392 HA THR 57 HA THR 57 -2.195 3.441 3.641 393 HB THR 57 HB THR 57 -2.193 5.679 1.578 394 HG1 THR 57 HG1 THR 57 -0.250 5.588 2.552 395 HG21 THR 57 HG21 THR 57 -3.103 7.056 3.454 396 HG22 THR 57 HG22 THR 57 -3.324 5.567 4.410 397 HG23 THR 57 HG23 THR 57 -4.242 5.829 2.902 398 H ARG 58 H ARG 58 -3.115 3.674 0.158 399 HA ARG 58 HA ARG 58 -5.948 3.285 0.597 400 HB2 ARG 58 HB2 ARG 58 -4.203 2.769 -1.843 401 HB3 ARG 58 HB3 ARG 58 -5.974 2.670 -1.825 402 HG2 ARG 58 HG2 ARG 58 -6.168 5.038 -1.240 403 HG3 ARG 58 HG3 ARG 58 -4.404 5.206 -1.217 404 HD2 ARG 58 HD2 ARG 58 -4.300 4.459 -3.586 405 HD3 ARG 58 HD3 ARG 58 -6.060 4.341 -3.627 406 HE ARG 58 HE ARG 58 -4.419 6.766 -3.791 407 HH11 ARG 58 HH11 ARG 58 -7.695 5.733 -3.071 408 HH12 ARG 58 HH12 ARG 58 -8.344 7.306 -3.472 409 HH21 ARG 58 HH21 ARG 58 -5.226 8.604 -4.247 410 HH22 ARG 58 HH22 ARG 58 -6.956 8.948 -4.118 411 H PHE 59 H PHE 59 -3.336 0.921 -0.121 412 HA PHE 59 HA PHE 59 -5.031 -1.370 -0.222 413 HB2 PHE 59 HB2 PHE 59 -2.757 -1.368 -1.100 414 HB3 PHE 59 HB3 PHE 59 -2.098 -1.029 0.497 415 HD1 PHE 59 HD1 PHE 59 -4.308 -3.587 -1.198 416 HD2 PHE 59 HD2 PHE 59 -1.218 -2.818 1.717 417 HE1 PHE 59 HE1 PHE 59 -4.155 -6.010 -0.701 418 HE2 PHE 59 HE2 PHE 59 -1.036 -5.253 2.155 419 HZ PHE 59 HZ PHE 59 -2.504 -6.853 0.948 420 H LYS 60 H LYS 60 -3.287 0.067 2.585 421 HA LYS 60 HA LYS 60 -4.223 -1.968 4.357 422 HB2 LYS 60 HB2 LYS 60 -2.149 -0.542 4.636 423 HB3 LYS 60 HB3 LYS 60 -3.209 0.777 5.186 424 HG2 LYS 60 HG2 LYS 60 -4.064 -0.682 7.006 425 HG3 LYS 60 HG3 LYS 60 -3.043 -2.017 6.420 426 HD2 LYS 60 HD2 LYS 60 -1.021 -0.584 6.841 427 HD3 LYS 60 HD3 LYS 60 -2.069 0.630 7.595 428 HE2 LYS 60 HE2 LYS 60 -1.878 -2.304 8.446 429 HE3 LYS 60 HE3 LYS 60 -0.927 -1.015 9.184 430 HZ1 LYS 60 HZ1 LYS 60 -2.917 0.005 10.003 431 HZ2 LYS 60 HZ2 LYS 60 -3.050 -1.600 10.363 432 HZ3 LYS 60 HZ3 LYS 60 -3.898 -0.980 9.141 433 H ASP 61 H ASP 61 -5.483 1.271 3.623 434 HA ASP 61 HA ASP 61 -7.677 1.198 5.474 435 HB2 ASP 61 HB2 ASP 61 -6.744 3.236 4.437 436 HB3 ASP 61 HB3 ASP 61 -7.330 2.708 2.859 437 H GLY 62 H GLY 62 -7.215 -0.531 2.514 438 HA2 GLY 62 HA2 GLY 62 -8.557 -2.256 1.679 439 HA3 GLY 62 HA3 GLY 62 -9.929 -1.709 2.644 440 H GLY 63 H GLY 63 -8.445 0.835 0.893 441 HA2 GLY 63 HA2 GLY 63 -10.657 1.056 -1.056 442 HA3 GLY 63 HA3 GLY 63 -9.330 2.202 -0.790 443 H LEU 64 H LEU 64 -7.676 -0.559 -1.023 444 HA LEU 64 HA LEU 64 -7.639 -0.827 -3.977 445 HB2 LEU 64 HB2 LEU 64 -5.861 0.788 -2.973 446 HB3 LEU 64 HB3 LEU 64 -5.142 -0.637 -2.247 447 HG LEU 64 HG LEU 64 -4.898 -1.594 -4.603 448 HD11 LEU 64 HD11 LEU 64 -6.544 -0.119 -5.743 449 HD12 LEU 64 HD12 LEU 64 -4.935 0.100 -6.433 450 HD13 LEU 64 HD13 LEU 64 -5.580 1.305 -5.293 451 HD21 LEU 64 HD21 LEU 64 -3.012 -0.566 -3.377 452 HD22 LEU 64 HD22 LEU 64 -3.497 1.045 -3.946 453 HD23 LEU 64 HD23 LEU 64 -2.930 -0.178 -5.101 454 H ASP 65 H ASP 65 -7.218 -2.892 -4.720 455 HA ASP 65 HA ASP 65 -7.227 -5.093 -2.731 456 HB2 ASP 65 HB2 ASP 65 -7.395 -5.307 -5.744 457 HB3 ASP 65 HB3 ASP 65 -7.760 -6.554 -4.561 458 H ARG 66 H ARG 66 -5.787 -6.945 -2.992 459 HA ARG 66 HA ARG 66 -3.046 -6.259 -2.861 460 HB2 ARG 66 HB2 ARG 66 -4.050 -8.236 -1.807 461 HB3 ARG 66 HB3 ARG 66 -4.386 -8.952 -3.390 462 HG2 ARG 66 HG2 ARG 66 -1.938 -9.058 -3.849 463 HG3 ARG 66 HG3 ARG 66 -1.604 -8.388 -2.243 464 HD2 ARG 66 HD2 ARG 66 -3.201 -10.941 -2.741 465 HD3 ARG 66 HD3 ARG 66 -1.461 -10.924 -2.551 466 HE ARG 66 HE ARG 66 -3.492 -10.234 -0.459 467 HH11 ARG 66 HH11 ARG 66 -0.147 -11.210 -1.137 468 HH12 ARG 66 HH12 ARG 66 0.231 -11.215 0.575 469 HH21 ARG 66 HH21 ARG 66 -2.891 -10.554 1.678 470 HH22 ARG 66 HH22 ARG 66 -1.239 -11.036 2.014 471 H ALA 67 H ALA 67 -4.800 -7.667 -5.656 472 HA ALA 67 HA ALA 67 -2.534 -7.977 -7.342 473 HB1 ALA 67 HB1 ALA 67 -4.243 -8.113 -9.136 474 HB2 ALA 67 HB2 ALA 67 -4.686 -9.071 -7.726 475 HB3 ALA 67 HB3 ALA 67 -5.473 -7.499 -8.014 476 H ALA 68 H ALA 68 -4.722 -5.168 -6.905 477 HA ALA 68 HA ALA 68 -3.385 -3.527 -8.880 478 HB1 ALA 68 HB1 ALA 68 -5.747 -3.209 -8.262 479 HB2 ALA 68 HB2 ALA 68 -5.261 -2.790 -6.607 480 HB3 ALA 68 HB3 ALA 68 -4.787 -1.749 -7.966 481 H ALA 69 H ALA 69 -3.049 -3.901 -5.304 482 HA ALA 69 HA ALA 69 -1.178 -1.809 -4.929 483 HB1 ALA 69 HB1 ALA 69 -0.622 -2.960 -2.845 484 HB2 ALA 69 HB2 ALA 69 -2.382 -2.998 -3.107 485 HB3 ALA 69 HB3 ALA 69 -1.401 -4.447 -3.413 486 H GLN 70 H GLN 70 -0.531 -5.295 -5.688 487 HA GLN 70 HA GLN 70 2.306 -5.029 -5.898 488 HB2 GLN 70 HB2 GLN 70 0.418 -6.900 -7.381 489 HB3 GLN 70 HB3 GLN 70 2.181 -7.043 -7.364 490 HG2 GLN 70 HG2 GLN 70 2.232 -7.508 -5.020 491 HG3 GLN 70 HG3 GLN 70 0.507 -7.165 -4.826 492 HE21 GLN 70 HE21 GLN 70 2.838 -9.658 -5.838 493 HE22 GLN 70 HE22 GLN 70 1.602 -10.850 -6.199 494 H ALA 71 H ALA 71 -0.236 -4.677 -8.444 495 HA ALA 71 HA ALA 71 1.451 -4.175 -10.637 496 HB1 ALA 71 HB1 ALA 71 -1.325 -3.029 -10.043 497 HB2 ALA 71 HB2 ALA 71 -0.552 -3.095 -11.620 498 HB3 ALA 71 HB3 ALA 71 -0.981 -4.614 -10.808 499 H LEU 72 H LEU 72 -0.102 -1.746 -8.500 500 HA LEU 72 HA LEU 72 1.112 0.515 -9.763 501 HB2 LEU 72 HB2 LEU 72 -0.407 0.000 -7.182 502 HB3 LEU 72 HB3 LEU 72 0.259 1.580 -7.536 503 HG LEU 72 HG LEU 72 -1.103 2.061 -9.261 504 HD11 LEU 72 HD11 LEU 72 -2.145 -0.771 -9.591 505 HD12 LEU 72 HD12 LEU 72 -0.962 0.017 -10.661 506 HD13 LEU 72 HD13 LEU 72 -2.575 0.683 -10.518 507 HD21 LEU 72 HD21 LEU 72 -3.394 1.636 -8.480 508 HD22 LEU 72 HD22 LEU 72 -2.324 1.925 -7.097 509 HD23 LEU 72 HD23 LEU 72 -2.817 0.262 -7.523 510 H LEU 73 H LEU 73 2.157 -1.386 -6.877 511 HA LEU 73 HA LEU 73 4.378 0.383 -6.306 512 HB2 LEU 73 HB2 LEU 73 3.846 -2.546 -5.656 513 HB3 LEU 73 HB3 LEU 73 5.280 -1.690 -5.131 514 HG LEU 73 HG LEU 73 2.413 -0.968 -4.366 515 HD11 LEU 73 HD11 LEU 73 3.255 -3.009 -3.280 516 HD12 LEU 73 HD12 LEU 73 3.080 -1.678 -2.123 517 HD13 LEU 73 HD13 LEU 73 4.693 -2.114 -2.721 518 HD21 LEU 73 HD21 LEU 73 5.022 0.345 -3.600 519 HD22 LEU 73 HD22 LEU 73 3.485 0.582 -2.742 520 HD23 LEU 73 HD23 LEU 73 3.633 1.082 -4.423 521 H ALA 74 H ALA 74 4.076 -2.425 -8.490 522 HA ALA 74 HA ALA 74 6.817 -2.243 -9.391 523 HB1 ALA 74 HB1 ALA 74 6.120 -3.911 -11.036 524 HB2 ALA 74 HB2 ALA 74 5.494 -4.332 -9.438 525 HB3 ALA 74 HB3 ALA 74 4.414 -3.618 -10.653 526 H GLY 75 H GLY 75 4.174 -0.203 -10.048 527 HA2 GLY 75 HA2 GLY 75 4.155 1.732 -11.357 528 HA3 GLY 75 HA3 GLY 75 5.612 1.213 -12.207 529 H ARG 76 H ARG 76 3.114 -1.145 -12.083 530 HA ARG 76 HA ARG 76 2.408 -0.861 -14.962 531 HB2 ARG 76 HB2 ARG 76 1.714 -3.019 -12.921 532 HB3 ARG 76 HB3 ARG 76 1.361 -3.066 -14.643 533 HG2 ARG 76 HG2 ARG 76 3.792 -3.042 -15.149 534 HG3 ARG 76 HG3 ARG 76 4.170 -3.042 -13.419 535 HD2 ARG 76 HD2 ARG 76 2.976 -5.186 -13.142 536 HD3 ARG 76 HD3 ARG 76 2.558 -5.193 -14.863 537 HE ARG 76 HE ARG 76 5.420 -4.940 -14.497 538 HH11 ARG 76 HH11 ARG 76 2.912 -7.401 -14.341 539 HH12 ARG 76 HH12 ARG 76 4.021 -8.680 -14.750 540 HH21 ARG 76 HH21 ARG 76 6.757 -6.606 -15.052 541 HH22 ARG 76 HH22 ARG 76 6.143 -8.243 -15.125 542 H THR 77 H THR 77 0.028 -1.348 -15.463 543 HA THR 77 HA THR 77 -1.807 0.289 -13.815 544 HB THR 77 HB THR 77 -3.459 -0.246 -15.638 545 HG1 THR 77 HG1 THR 77 -2.580 -1.034 -17.563 546 HG21 THR 77 HG21 THR 77 -0.871 1.084 -16.530 547 HG22 THR 77 HG22 THR 77 -2.158 1.856 -15.575 548 HG23 THR 77 HG23 THR 77 -2.479 1.330 -17.234 549 HA PRO 78 HA PRO 78 -3.660 -3.069 -11.622 550 HB2 PRO 78 HB2 PRO 78 -6.344 -2.046 -12.572 551 HB3 PRO 78 HB3 PRO 78 -5.836 -2.520 -10.912 552 HG2 PRO 78 HG2 PRO 78 -5.947 0.099 -11.614 553 HG3 PRO 78 HG3 PRO 78 -4.554 -0.516 -10.671 554 HD2 PRO 78 HD2 PRO 78 -4.764 -0.012 -13.650 555 HD3 PRO 78 HD3 PRO 78 -3.452 0.457 -12.537 556 H ALA 79 H ALA 79 -4.438 -5.162 -11.889 557 HA ALA 79 HA ALA 79 -5.582 -6.074 -14.453 558 HB1 ALA 79 HB1 ALA 79 -2.892 -7.040 -13.373 559 HB2 ALA 79 HB2 ALA 79 -3.740 -7.691 -14.797 560 HB3 ALA 79 HB3 ALA 79 -3.129 -6.026 -14.815 561 H ALA 80 H ALA 80 -6.025 -8.442 -14.392 562 HA ALA 80 HA ALA 80 -6.332 -9.692 -11.723 563 HB1 ALA 80 HB1 ALA 80 -8.592 -9.399 -13.755 564 HB2 ALA 80 HB2 ALA 80 -8.662 -10.321 -12.237 565 HB3 ALA 80 HB3 ALA 80 -8.497 -8.553 -12.188 566 H ALA 81 H ALA 81 -6.452 -11.975 -11.779 567 HA ALA 81 HA ALA 81 -5.107 -13.193 -14.053 568 HB1 ALA 81 HB1 ALA 81 -5.080 -15.206 -12.652 569 HB2 ALA 81 HB2 ALA 81 -4.462 -13.790 -11.788 570 HB3 ALA 81 HB3 ALA 81 -6.094 -14.385 -11.438 571 HA PRO 82 HA PRO 82 -9.089 -14.520 -15.836 572 HB2 PRO 82 HB2 PRO 82 -8.237 -15.591 -18.175 573 HB3 PRO 82 HB3 PRO 82 -8.095 -13.845 -17.821 574 HG2 PRO 82 HG2 PRO 82 -5.962 -15.979 -17.463 575 HG3 PRO 82 HG3 PRO 82 -5.817 -14.421 -18.341 576 HD2 PRO 82 HD2 PRO 82 -5.008 -14.698 -15.751 577 HD3 PRO 82 HD3 PRO 82 -5.759 -13.184 -16.336 578 H ARG 83 H ARG 83 -8.881 -15.929 -13.775 579 HA ARG 83 HA ARG 83 -7.993 -18.664 -13.923 580 HB2 ARG 83 HB2 ARG 83 -9.823 -17.206 -11.975 581 HB3 ARG 83 HB3 ARG 83 -9.284 -18.863 -11.744 582 HG2 ARG 83 HG2 ARG 83 -6.913 -18.135 -11.726 583 HG3 ARG 83 HG3 ARG 83 -7.407 -16.468 -12.002 584 HD2 ARG 83 HD2 ARG 83 -6.924 -16.712 -9.673 585 HD3 ARG 83 HD3 ARG 83 -8.650 -16.461 -9.863 586 HE ARG 83 HE ARG 83 -9.088 -18.613 -9.074 587 HH11 ARG 83 HH11 ARG 83 -5.626 -18.377 -9.537 588 HH12 ARG 83 HH12 ARG 83 -5.321 -19.874 -8.696 589 HH21 ARG 83 HH21 ARG 83 -8.636 -20.486 -7.983 590 HH22 ARG 83 HH22 ARG 83 -6.987 -21.037 -7.856 591 HA PRO 84 HA PRO 84 -11.454 -20.749 -15.797 592 HB2 PRO 84 HB2 PRO 84 -11.289 -23.249 -14.706 593 HB3 PRO 84 HB3 PRO 84 -10.108 -22.613 -15.904 594 HG2 PRO 84 HG2 PRO 84 -9.840 -22.655 -12.870 595 HG3 PRO 84 HG3 PRO 84 -8.655 -23.201 -14.091 596 HD2 PRO 84 HD2 PRO 84 -8.508 -20.741 -12.966 597 HD3 PRO 84 HD3 PRO 84 -8.128 -20.974 -14.699 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 37.766 -6.178 0.736 2 H2 GLY 1 H2 GLY 1 36.438 -5.775 -0.149 3 H3 GLY 1 H3 GLY 1 37.378 -4.604 0.494 4 HA2 GLY 1 HA2 GLY 1 39.250 -5.322 -0.904 5 HA3 GLY 1 HA3 GLY 1 38.135 -6.473 -1.662 6 HA PRO 2 HA PRO 2 38.233 -2.506 -4.101 7 HB2 PRO 2 HB2 PRO 2 38.045 -4.528 -6.334 8 HB3 PRO 2 HB3 PRO 2 39.006 -3.018 -6.255 9 HG2 PRO 2 HG2 PRO 2 40.207 -5.406 -5.878 10 HG3 PRO 2 HG3 PRO 2 40.614 -4.022 -4.808 11 HD2 PRO 2 HD2 PRO 2 38.697 -6.314 -4.280 12 HD3 PRO 2 HD3 PRO 2 39.965 -5.639 -3.208 13 H GLY 3 H GLY 3 36.525 -1.404 -5.109 14 HA2 GLY 3 HA2 GLY 3 33.821 -2.445 -4.759 15 HA3 GLY 3 HA3 GLY 3 34.270 -0.865 -5.377 16 H SER 4 H SER 4 32.361 -3.107 -6.240 17 HA SER 4 HA SER 4 32.682 -2.719 -9.120 18 HB2 SER 4 HB2 SER 4 34.078 -4.771 -8.592 19 HB3 SER 4 HB3 SER 4 32.593 -5.561 -8.042 20 HG SER 4 HG SER 4 33.088 -5.986 -10.265 21 H TYR 5 H TYR 5 30.768 -3.321 -10.310 22 HA TYR 5 HA TYR 5 28.308 -2.965 -8.764 23 HB2 TYR 5 HB2 TYR 5 28.624 -1.762 -10.866 24 HB3 TYR 5 HB3 TYR 5 28.803 -3.282 -11.743 25 HD1 TYR 5 HD1 TYR 5 26.388 -1.235 -9.741 26 HD2 TYR 5 HD2 TYR 5 26.900 -4.475 -12.544 27 HE1 TYR 5 HE1 TYR 5 23.921 -1.359 -10.039 28 HE2 TYR 5 HE2 TYR 5 24.424 -4.602 -12.846 29 HH TYR 5 HH TYR 5 22.185 -2.415 -11.084 30 H THR 6 H THR 6 26.518 -4.327 -8.716 31 HA THR 6 HA THR 6 26.561 -6.925 -9.997 32 HB THR 6 HB THR 6 27.686 -7.402 -7.831 33 HG1 THR 6 HG1 THR 6 26.666 -9.086 -8.692 34 HG21 THR 6 HG21 THR 6 26.502 -5.788 -6.360 35 HG22 THR 6 HG22 THR 6 26.448 -7.445 -5.746 36 HG23 THR 6 HG23 THR 6 25.013 -6.750 -6.530 37 H GLY 7 H GLY 7 24.477 -7.861 -10.193 38 HA2 GLY 7 HA2 GLY 7 22.401 -5.899 -10.565 39 HA3 GLY 7 HA3 GLY 7 22.265 -7.632 -10.846 40 H ALA 8 H ALA 8 20.290 -5.874 -9.762 41 HA ALA 8 HA ALA 8 19.911 -6.873 -6.972 42 HB1 ALA 8 HB1 ALA 8 18.709 -4.778 -6.576 43 HB2 ALA 8 HB2 ALA 8 20.352 -4.462 -7.167 44 HB3 ALA 8 HB3 ALA 8 18.967 -4.286 -8.266 45 H GLY 9 H GLY 9 18.785 -7.619 -9.973 46 HA2 GLY 9 HA2 GLY 9 16.970 -8.873 -10.669 47 HA3 GLY 9 HA3 GLY 9 16.387 -8.907 -9.010 48 H GLU 10 H GLU 10 14.246 -8.599 -9.615 49 HA GLU 10 HA GLU 10 13.420 -5.881 -10.448 50 HB2 GLU 10 HB2 GLU 10 11.697 -6.859 -11.899 51 HB3 GLU 10 HB3 GLU 10 13.328 -7.227 -12.461 52 HG2 GLU 10 HG2 GLU 10 13.161 -9.499 -11.644 53 HG3 GLU 10 HG3 GLU 10 11.636 -9.150 -10.814 54 HA PRO 11 HA PRO 11 10.485 -6.342 -7.118 55 HB2 PRO 11 HB2 PRO 11 8.460 -4.638 -7.793 56 HB3 PRO 11 HB3 PRO 11 10.109 -4.073 -7.379 57 HG2 PRO 11 HG2 PRO 11 8.967 -4.558 -10.155 58 HG3 PRO 11 HG3 PRO 11 9.804 -3.097 -9.543 59 HD2 PRO 11 HD2 PRO 11 11.119 -5.008 -10.935 60 HD3 PRO 11 HD3 PRO 11 11.898 -4.178 -9.566 61 H SER 12 H SER 12 10.242 -8.585 -7.673 62 HA SER 12 HA SER 12 8.183 -9.675 -9.321 63 HB2 SER 12 HB2 SER 12 10.067 -11.001 -8.552 64 HB3 SER 12 HB3 SER 12 9.566 -10.798 -6.862 65 HG SER 12 HG SER 12 8.913 -12.811 -7.920 66 H GLN 13 H GLN 13 6.111 -10.298 -8.986 67 HA GLN 13 HA GLN 13 4.485 -9.090 -6.967 68 HB2 GLN 13 HB2 GLN 13 2.699 -10.499 -7.782 69 HB3 GLN 13 HB3 GLN 13 3.611 -9.810 -9.133 70 HG2 GLN 13 HG2 GLN 13 4.831 -11.993 -9.357 71 HG3 GLN 13 HG3 GLN 13 3.837 -12.662 -8.055 72 HE21 GLN 13 HE21 GLN 13 3.599 -14.196 -10.129 73 HE22 GLN 13 HE22 GLN 13 2.165 -13.847 -11.085 74 H ALA 14 H ALA 14 6.393 -12.043 -6.872 75 HA ALA 14 HA ALA 14 5.000 -13.168 -4.571 76 HB1 ALA 14 HB1 ALA 14 6.802 -14.824 -4.614 77 HB2 ALA 14 HB2 ALA 14 6.162 -14.561 -6.253 78 HB3 ALA 14 HB3 ALA 14 7.711 -13.832 -5.776 79 H ASP 15 H ASP 15 7.845 -11.114 -5.052 80 HA ASP 15 HA ASP 15 8.632 -11.056 -2.249 81 HB2 ASP 15 HB2 ASP 15 10.232 -10.702 -4.114 82 HB3 ASP 15 HB3 ASP 15 9.355 -9.239 -4.573 83 H LEU 16 H LEU 16 6.657 -9.093 -4.350 84 HA LEU 16 HA LEU 16 6.036 -7.021 -2.435 85 HB2 LEU 16 HB2 LEU 16 4.685 -7.986 -4.970 86 HB3 LEU 16 HB3 LEU 16 4.076 -6.622 -4.032 87 HG LEU 16 HG LEU 16 6.939 -6.638 -5.033 88 HD11 LEU 16 HD11 LEU 16 5.503 -6.923 -7.001 89 HD12 LEU 16 HD12 LEU 16 6.160 -5.295 -6.949 90 HD13 LEU 16 HD13 LEU 16 4.478 -5.571 -6.469 91 HD21 LEU 16 HD21 LEU 16 6.358 -4.981 -3.293 92 HD22 LEU 16 HD22 LEU 16 4.985 -4.436 -4.281 93 HD23 LEU 16 HD23 LEU 16 6.667 -4.193 -4.847 94 H ASP 17 H ASP 17 4.302 -10.078 -3.335 95 HA ASP 17 HA ASP 17 2.101 -9.712 -1.578 96 HB2 ASP 17 HB2 ASP 17 2.293 -11.497 -3.327 97 HB3 ASP 17 HB3 ASP 17 3.528 -12.306 -2.359 98 H ALA 18 H ALA 18 5.323 -11.094 -0.887 99 HA ALA 18 HA ALA 18 4.806 -11.921 1.804 100 HB1 ALA 18 HB1 ALA 18 7.259 -11.915 2.018 101 HB2 ALA 18 HB2 ALA 18 6.773 -12.636 0.469 102 HB3 ALA 18 HB3 ALA 18 7.409 -10.971 0.522 103 H LEU 19 H LEU 19 5.892 -8.789 0.484 104 HA LEU 19 HA LEU 19 6.231 -7.480 3.035 105 HB2 LEU 19 HB2 LEU 19 7.266 -6.795 0.808 106 HB3 LEU 19 HB3 LEU 19 5.667 -6.328 0.260 107 HG LEU 19 HG LEU 19 5.672 -4.771 2.428 108 HD11 LEU 19 HD11 LEU 19 7.830 -5.668 3.307 109 HD12 LEU 19 HD12 LEU 19 7.912 -3.935 2.961 110 HD13 LEU 19 HD13 LEU 19 8.651 -5.079 1.834 111 HD21 LEU 19 HD21 LEU 19 5.496 -3.959 0.164 112 HD22 LEU 19 HD22 LEU 19 7.240 -4.220 -0.121 113 HD23 LEU 19 HD23 LEU 19 6.692 -2.983 1.029 114 H LEU 20 H LEU 20 3.634 -7.457 0.587 115 HA LEU 20 HA LEU 20 1.945 -5.578 1.851 116 HB2 LEU 20 HB2 LEU 20 1.488 -7.726 -0.200 117 HB3 LEU 20 HB3 LEU 20 0.218 -6.606 0.235 118 HG LEU 20 HG LEU 20 2.906 -5.569 -0.754 119 HD11 LEU 20 HD11 LEU 20 1.944 -5.364 -2.984 120 HD12 LEU 20 HD12 LEU 20 0.413 -6.083 -2.433 121 HD13 LEU 20 HD13 LEU 20 1.900 -7.063 -2.494 122 HD21 LEU 20 HD21 LEU 20 1.616 -3.591 -1.320 123 HD22 LEU 20 HD22 LEU 20 1.410 -3.967 0.400 124 HD23 LEU 20 HD23 LEU 20 0.117 -4.361 -0.759 125 H SER 21 H SER 21 1.810 -9.215 1.962 126 HA SER 21 HA SER 21 -0.571 -9.327 3.539 127 HB2 SER 21 HB2 SER 21 1.150 -11.230 2.434 128 HB3 SER 21 HB3 SER 21 1.356 -11.462 4.177 129 HG SER 21 HG SER 21 -0.403 -12.636 3.718 130 H ALA 22 H ALA 22 2.787 -8.712 4.519 131 HA ALA 22 HA ALA 22 2.303 -9.139 7.341 132 HB1 ALA 22 HB1 ALA 22 4.554 -7.643 5.946 133 HB2 ALA 22 HB2 ALA 22 4.557 -8.270 7.609 134 HB3 ALA 22 HB3 ALA 22 4.515 -9.390 6.238 135 H VAL 23 H VAL 23 2.141 -6.270 5.167 136 HA VAL 23 HA VAL 23 1.626 -4.494 7.469 137 HB VAL 23 HB VAL 23 2.855 -3.539 5.703 138 HG11 VAL 23 HG11 VAL 23 2.134 -4.860 3.838 139 HG12 VAL 23 HG12 VAL 23 0.549 -4.035 3.821 140 HG13 VAL 23 HG13 VAL 23 2.048 -3.145 3.487 141 HG21 VAL 23 HG21 VAL 23 0.107 -2.275 5.502 142 HG22 VAL 23 HG22 VAL 23 1.213 -2.052 6.881 143 HG23 VAL 23 HG23 VAL 23 1.687 -1.500 5.269 144 H ARG 24 H ARG 24 -0.354 -6.188 5.088 145 HA ARG 24 HA ARG 24 -2.814 -4.961 5.930 146 HB2 ARG 24 HB2 ARG 24 -2.211 -6.318 3.764 147 HB3 ARG 24 HB3 ARG 24 -2.597 -7.739 4.697 148 HG2 ARG 24 HG2 ARG 24 -4.454 -6.973 3.280 149 HG3 ARG 24 HG3 ARG 24 -4.917 -6.924 4.982 150 HD2 ARG 24 HD2 ARG 24 -4.771 -4.517 5.049 151 HD3 ARG 24 HD3 ARG 24 -3.821 -4.469 3.566 152 HE ARG 24 HE ARG 24 -5.747 -4.266 2.397 153 HH11 ARG 24 HH11 ARG 24 -6.732 -5.684 5.451 154 HH12 ARG 24 HH12 ARG 24 -8.414 -5.703 4.991 155 HH21 ARG 24 HH21 ARG 24 -7.851 -4.469 1.833 156 HH22 ARG 24 HH22 ARG 24 -9.031 -5.028 2.989 157 H ASP 25 H ASP 25 -1.023 -7.654 7.264 158 HA ASP 25 HA ASP 25 -3.077 -8.153 9.330 159 HB2 ASP 25 HB2 ASP 25 -0.351 -9.392 8.883 160 HB3 ASP 25 HB3 ASP 25 -1.492 -9.863 10.120 161 H ASN 26 H ASN 26 -1.103 -5.637 8.989 162 HA ASN 26 HA ASN 26 -0.122 -4.126 10.254 163 HB2 ASN 26 HB2 ASN 26 -2.438 -4.196 11.211 164 HB3 ASN 26 HB3 ASN 26 -1.828 -5.188 12.524 165 HD21 ASN 26 HD21 ASN 26 -1.627 -3.910 14.347 166 HD22 ASN 26 HD22 ASN 26 -1.013 -2.269 14.326 167 H ARG 27 H ARG 27 1.294 -6.676 10.065 168 HA ARG 27 HA ARG 27 3.040 -6.692 12.478 169 HB2 ARG 27 HB2 ARG 27 3.407 -8.178 9.852 170 HB3 ARG 27 HB3 ARG 27 4.267 -8.445 11.352 171 HG2 ARG 27 HG2 ARG 27 1.382 -9.157 10.724 172 HG3 ARG 27 HG3 ARG 27 2.747 -10.228 11.020 173 HD2 ARG 27 HD2 ARG 27 1.804 -10.403 13.077 174 HD3 ARG 27 HD3 ARG 27 2.795 -8.970 13.384 175 HE ARG 27 HE ARG 27 0.110 -8.405 12.332 176 HH11 ARG 27 HH11 ARG 27 1.796 -8.888 15.368 177 HH12 ARG 27 HH12 ARG 27 0.528 -8.100 16.271 178 HH21 ARG 27 HH21 ARG 27 -1.405 -7.499 13.470 179 HH22 ARG 27 HH22 ARG 27 -1.275 -7.300 15.208 180 H LEU 28 H LEU 28 2.853 -5.218 9.339 181 HA LEU 28 HA LEU 28 5.578 -4.016 9.603 182 HB2 LEU 28 HB2 LEU 28 5.012 -5.929 7.897 183 HB3 LEU 28 HB3 LEU 28 4.133 -4.700 7.027 184 HG LEU 28 HG LEU 28 6.237 -5.060 6.003 185 HD11 LEU 28 HD11 LEU 28 6.601 -2.497 7.495 186 HD12 LEU 28 HD12 LEU 28 5.419 -2.712 6.182 187 HD13 LEU 28 HD13 LEU 28 7.168 -2.908 5.866 188 HD21 LEU 28 HD21 LEU 28 7.605 -4.303 8.626 189 HD22 LEU 28 HD22 LEU 28 8.391 -4.732 7.097 190 HD23 LEU 28 HD23 LEU 28 7.476 -5.967 7.991 191 H SER 29 H SER 29 5.673 -1.747 9.177 192 HA SER 29 HA SER 29 3.091 -0.288 9.212 193 HB2 SER 29 HB2 SER 29 5.912 0.740 9.543 194 HB3 SER 29 HB3 SER 29 4.424 1.676 9.735 195 HG SER 29 HG SER 29 5.223 -0.593 11.275 196 H ILE 30 H ILE 30 2.706 1.613 7.886 197 HA ILE 30 HA ILE 30 2.987 1.309 5.059 198 HB ILE 30 HB ILE 30 2.564 3.845 6.707 199 HG12 ILE 30 HG12 ILE 30 0.854 2.199 7.281 200 HG13 ILE 30 HG13 ILE 30 0.191 3.589 6.450 201 HG21 ILE 30 HG21 ILE 30 2.043 3.305 3.753 202 HG22 ILE 30 HG22 ILE 30 1.402 4.701 4.637 203 HG23 ILE 30 HG23 ILE 30 3.145 4.500 4.467 204 HD11 ILE 30 HD11 ILE 30 0.691 0.865 5.161 205 HD12 ILE 30 HD12 ILE 30 -0.875 1.543 5.664 206 HD13 ILE 30 HD13 ILE 30 0.011 2.314 4.357 207 H GLU 31 H GLU 31 4.816 3.510 7.262 208 HA GLU 31 HA GLU 31 6.531 4.529 5.208 209 HB2 GLU 31 HB2 GLU 31 7.031 4.318 8.211 210 HB3 GLU 31 HB3 GLU 31 7.926 5.352 7.093 211 HG2 GLU 31 HG2 GLU 31 4.969 5.590 7.801 212 HG3 GLU 31 HG3 GLU 31 6.272 6.618 8.399 213 H GLN 32 H GLN 32 6.807 1.676 7.276 214 HA GLN 32 HA GLN 32 9.573 1.039 6.685 215 HB2 GLN 32 HB2 GLN 32 7.219 -0.522 7.758 216 HB3 GLN 32 HB3 GLN 32 8.837 -1.235 7.565 217 HG2 GLN 32 HG2 GLN 32 9.732 0.415 9.154 218 HG3 GLN 32 HG3 GLN 32 8.142 1.162 9.322 219 HE21 GLN 32 HE21 GLN 32 9.582 0.105 11.579 220 HE22 GLN 32 HE22 GLN 32 8.645 -1.268 12.161 221 H ALA 33 H ALA 33 6.389 -0.124 5.353 222 HA ALA 33 HA ALA 33 7.585 -1.833 3.397 223 HB1 ALA 33 HB1 ALA 33 5.275 -1.656 2.345 224 HB2 ALA 33 HB2 ALA 33 5.334 -2.227 4.019 225 HB3 ALA 33 HB3 ALA 33 4.858 -0.539 3.669 226 H VAL 34 H VAL 34 7.067 1.657 3.340 227 HA VAL 34 HA VAL 34 7.706 1.951 0.498 228 HB VAL 34 HB VAL 34 7.534 3.933 2.796 229 HG11 VAL 34 HG11 VAL 34 7.975 4.455 -0.177 230 HG12 VAL 34 HG12 VAL 34 7.516 5.695 1.006 231 HG13 VAL 34 HG13 VAL 34 9.082 4.886 1.147 232 HG21 VAL 34 HG21 VAL 34 5.481 4.645 1.758 233 HG22 VAL 34 HG22 VAL 34 5.707 3.514 0.402 234 HG23 VAL 34 HG23 VAL 34 5.366 2.899 2.012 235 H THR 35 H THR 35 9.581 2.242 3.595 236 HA THR 35 HA THR 35 11.947 2.983 2.131 237 HB THR 35 HB THR 35 11.364 3.490 4.592 238 HG1 THR 35 HG1 THR 35 13.310 4.184 4.677 239 HG21 THR 35 HG21 THR 35 11.384 1.098 5.408 240 HG22 THR 35 HG22 THR 35 12.510 2.178 6.246 241 HG23 THR 35 HG23 THR 35 13.113 1.030 5.035 242 H LEU 36 H LEU 36 10.708 -0.156 3.154 243 HA LEU 36 HA LEU 36 13.110 -1.587 2.315 244 HB2 LEU 36 HB2 LEU 36 10.275 -2.531 2.894 245 HB3 LEU 36 HB3 LEU 36 11.647 -3.592 2.596 246 HG LEU 36 HG LEU 36 11.370 -1.688 4.961 247 HD11 LEU 36 HD11 LEU 36 11.380 -4.727 4.813 248 HD12 LEU 36 HD12 LEU 36 9.945 -3.700 5.072 249 HD13 LEU 36 HD13 LEU 36 11.231 -3.739 6.279 250 HD21 LEU 36 HD21 LEU 36 13.644 -3.560 4.256 251 HD22 LEU 36 HD22 LEU 36 13.406 -2.783 5.839 252 HD23 LEU 36 HD23 LEU 36 13.706 -1.788 4.412 253 H LEU 37 H LEU 37 10.370 -0.310 0.585 254 HA LEU 37 HA LEU 37 10.857 -1.867 -1.843 255 HB2 LEU 37 HB2 LEU 37 8.643 -0.833 -1.204 256 HB3 LEU 37 HB3 LEU 37 9.375 0.751 -1.412 257 HG LEU 37 HG LEU 37 9.897 -0.108 -3.877 258 HD11 LEU 37 HD11 LEU 37 7.511 -1.839 -3.081 259 HD12 LEU 37 HD12 LEU 37 9.141 -2.450 -3.459 260 HD13 LEU 37 HD13 LEU 37 8.178 -1.646 -4.720 261 HD21 LEU 37 HD21 LEU 37 8.471 1.760 -3.410 262 HD22 LEU 37 HD22 LEU 37 7.165 0.713 -2.847 263 HD23 LEU 37 HD23 LEU 37 7.635 0.709 -4.566 264 H THR 38 H THR 38 11.742 1.364 -0.600 265 HA THR 38 HA THR 38 12.792 2.229 -3.147 266 HB THR 38 HB THR 38 12.780 3.700 -0.497 267 HG1 THR 38 HG1 THR 38 10.718 3.259 -1.042 268 HG21 THR 38 HG21 THR 38 13.021 4.673 -3.375 269 HG22 THR 38 HG22 THR 38 14.289 4.771 -2.124 270 HG23 THR 38 HG23 THR 38 12.803 5.712 -1.953 271 HA PRO 39 HA PRO 39 17.039 1.000 -2.015 272 HB2 PRO 39 HB2 PRO 39 18.286 1.397 -4.396 273 HB3 PRO 39 HB3 PRO 39 17.185 0.018 -4.090 274 HG2 PRO 39 HG2 PRO 39 16.530 2.654 -5.443 275 HG3 PRO 39 HG3 PRO 39 16.174 1.003 -6.021 276 HD2 PRO 39 HD2 PRO 39 14.318 2.486 -4.682 277 HD3 PRO 39 HD3 PRO 39 14.446 0.714 -4.444 278 H ARG 40 H ARG 40 18.941 2.062 -1.511 279 HA ARG 40 HA ARG 40 18.673 4.985 -1.112 280 HB2 ARG 40 HB2 ARG 40 20.688 2.926 -0.090 281 HB3 ARG 40 HB3 ARG 40 20.782 4.639 0.239 282 HG2 ARG 40 HG2 ARG 40 19.792 3.695 2.133 283 HG3 ARG 40 HG3 ARG 40 18.503 4.564 1.297 284 HD2 ARG 40 HD2 ARG 40 17.549 2.445 0.497 285 HD3 ARG 40 HD3 ARG 40 18.957 1.557 1.088 286 HE ARG 40 HE ARG 40 18.277 1.900 3.336 287 HH11 ARG 40 HH21 ARG 40 15.680 2.843 1.112 288 HH12 ARG 40 HH22 ARG 40 14.596 3.109 2.457 289 HH21 ARG 40 HH11 ARG 40 16.698 2.140 4.910 290 HH22 ARG 40 HH12 ARG 40 15.110 2.689 4.417 291 H ARG 41 H ARG 41 20.571 2.886 -3.137 292 HA ARG 41 HA ARG 41 22.443 5.040 -3.962 293 HB2 ARG 41 HB2 ARG 41 23.267 2.804 -3.394 294 HB3 ARG 41 HB3 ARG 41 22.386 2.118 -4.771 295 HG2 ARG 41 HG2 ARG 41 23.742 3.372 -6.348 296 HG3 ARG 41 HG3 ARG 41 24.428 4.371 -5.050 297 HD2 ARG 41 HD2 ARG 41 25.500 2.401 -4.056 298 HD3 ARG 41 HD3 ARG 41 24.800 1.375 -5.311 299 HE ARG 41 HE ARG 41 26.372 2.109 -6.853 300 HH11 ARG 41 HH11 ARG 41 26.727 4.129 -3.997 301 HH12 ARG 41 HH12 ARG 41 28.214 4.825 -4.578 302 HH21 ARG 41 HH21 ARG 41 28.264 3.048 -7.528 303 HH22 ARG 41 HH22 ARG 41 29.059 4.217 -6.504 304 H GLY 42 H GLY 42 22.531 5.965 -5.945 305 HA2 GLY 42 HA2 GLY 42 22.032 6.527 -8.109 306 HA3 GLY 42 HA3 GLY 42 21.158 5.012 -8.283 307 H GLY 43 H GLY 43 19.859 6.846 -5.713 308 HA2 GLY 43 HA2 GLY 43 17.990 8.190 -5.456 309 HA3 GLY 43 HA3 GLY 43 18.081 8.596 -7.170 310 H GLY 44 H GLY 44 16.836 6.263 -4.802 311 HA2 GLY 44 HA2 GLY 44 15.418 4.577 -6.649 312 HA3 GLY 44 HA3 GLY 44 15.242 4.628 -4.895 313 H SER 45 H SER 45 14.548 7.697 -5.535 314 HA SER 45 HA SER 45 11.685 7.289 -5.295 315 HB2 SER 45 HB2 SER 45 13.347 9.828 -5.557 316 HB3 SER 45 HB3 SER 45 11.602 9.811 -5.271 317 HG SER 45 HG SER 45 13.604 8.669 -3.584 318 H GLY 46 H GLY 46 10.436 8.374 -8.536 319 HA2 GLY 46 HA2 GLY 46 8.846 7.443 -6.813 320 HA3 GLY 46 HA3 GLY 46 9.815 8.248 -5.593 321 H GLY 47 H GLY 47 7.444 9.008 -5.295 322 HA2 GLY 47 HA2 GLY 47 6.194 10.928 -5.047 323 HA3 GLY 47 HA3 GLY 47 7.300 11.815 -6.089 324 H GLY 48 H GLY 48 5.075 12.705 -6.600 325 HA2 GLY 48 HA2 GLY 48 3.468 13.109 -8.222 326 HA3 GLY 48 HA3 GLY 48 4.165 11.821 -9.200 327 H SER 49 H SER 49 1.888 11.430 -9.751 328 HA SER 49 HA SER 49 -0.028 10.422 -7.867 329 HB2 SER 49 HB2 SER 49 0.164 9.870 -10.846 330 HB3 SER 49 HB3 SER 49 -1.262 9.650 -9.810 331 HG SER 49 HG SER 49 -1.287 11.646 -10.993 332 H MET 50 H MET 50 -0.575 8.399 -7.230 333 HA MET 50 HA MET 50 -0.155 6.355 -6.393 334 HB2 MET 50 HB2 MET 50 0.563 5.699 -9.275 335 HB3 MET 50 HB3 MET 50 0.303 4.530 -7.994 336 HG2 MET 50 HG2 MET 50 -1.725 4.591 -9.144 337 HG3 MET 50 HG3 MET 50 -1.991 5.421 -7.618 338 HE1 MET 50 HE1 MET 50 -1.858 7.420 -11.821 339 HE2 MET 50 HE2 MET 50 -0.378 6.835 -11.036 340 HE3 MET 50 HE3 MET 50 -1.650 5.687 -11.507 341 H ASP 51 H ASP 51 1.686 7.831 -5.442 342 HA ASP 51 HA ASP 51 4.356 6.597 -5.638 343 HB2 ASP 51 HB2 ASP 51 4.058 8.956 -4.927 344 HB3 ASP 51 HB3 ASP 51 3.121 8.397 -3.534 345 H ALA 52 H ALA 52 5.286 5.284 -3.953 346 HA ALA 52 HA ALA 52 3.788 3.031 -3.209 347 HB1 ALA 52 HB1 ALA 52 5.716 2.467 -1.815 348 HB2 ALA 52 HB2 ALA 52 6.230 3.093 -3.395 349 HB3 ALA 52 HB3 ALA 52 6.330 4.132 -1.951 350 H LYS 53 H LYS 53 4.380 5.979 -1.223 351 HA LYS 53 HA LYS 53 3.303 4.924 1.216 352 HB2 LYS 53 HB2 LYS 53 4.734 7.001 0.846 353 HB3 LYS 53 HB3 LYS 53 3.281 7.854 0.345 354 HG2 LYS 53 HG2 LYS 53 3.569 6.408 3.011 355 HG3 LYS 53 HG3 LYS 53 4.086 8.080 2.774 356 HD2 LYS 53 HD2 LYS 53 1.822 8.825 2.377 357 HD3 LYS 53 HD3 LYS 53 1.223 7.166 2.335 358 HE2 LYS 53 HE2 LYS 53 2.129 6.904 4.718 359 HE3 LYS 53 HE3 LYS 53 2.310 8.666 4.730 360 HZ1 LYS 53 HZ1 LYS 53 -0.234 7.196 4.224 361 HZ2 LYS 53 HZ2 LYS 53 -0.083 8.828 4.267 362 HZ3 LYS 53 HZ3 LYS 53 0.145 7.953 5.627 363 H GLU 54 H GLU 54 1.791 6.832 -1.326 364 HA GLU 54 HA GLU 54 -0.864 6.834 -0.272 365 HB2 GLU 54 HB2 GLU 54 0.081 8.358 -2.047 366 HB3 GLU 54 HB3 GLU 54 0.054 7.006 -3.169 367 HG2 GLU 54 HG2 GLU 54 -1.843 8.364 -3.616 368 HG3 GLU 54 HG3 GLU 54 -2.417 6.843 -2.934 369 H ILE 55 H ILE 55 0.738 4.578 -2.565 370 HA ILE 55 HA ILE 55 -1.497 2.874 -3.040 371 HB ILE 55 HB ILE 55 1.500 2.313 -3.050 372 HG12 ILE 55 HG12 ILE 55 -0.340 2.500 -5.464 373 HG13 ILE 55 HG13 ILE 55 0.342 3.965 -4.760 374 HG21 ILE 55 HG21 ILE 55 0.516 0.155 -2.773 375 HG22 ILE 55 HG22 ILE 55 -0.842 0.542 -3.849 376 HG23 ILE 55 HG23 ILE 55 0.752 0.300 -4.515 377 HD11 ILE 55 HD11 ILE 55 1.703 3.120 -6.628 378 HD12 ILE 55 HD12 ILE 55 2.614 3.175 -5.118 379 HD13 ILE 55 HD13 ILE 55 2.028 1.619 -5.746 380 H LEU 56 H LEU 56 1.089 2.559 -0.514 381 HA LEU 56 HA LEU 56 -0.125 0.262 0.703 382 HB2 LEU 56 HB2 LEU 56 2.014 2.242 1.518 383 HB3 LEU 56 HB3 LEU 56 1.276 1.241 2.758 384 HG LEU 56 HG LEU 56 3.223 0.178 2.206 385 HD11 LEU 56 HD11 LEU 56 1.206 -1.409 0.574 386 HD12 LEU 56 HD12 LEU 56 1.154 -1.305 2.346 387 HD13 LEU 56 HD13 LEU 56 2.561 -2.006 1.524 388 HD21 LEU 56 HD21 LEU 56 3.795 1.165 0.120 389 HD22 LEU 56 HD22 LEU 56 2.458 0.330 -0.720 390 HD23 LEU 56 HD23 LEU 56 3.828 -0.596 -0.059 391 H THR 57 H THR 57 -0.560 3.739 1.349 392 HA THR 57 HA THR 57 -2.167 3.454 3.693 393 HB THR 57 HB THR 57 -2.227 5.656 1.585 394 HG1 THR 57 HG1 THR 57 -0.239 5.404 2.560 395 HG21 THR 57 HG21 THR 57 -3.229 5.616 4.464 396 HG22 THR 57 HG22 THR 57 -4.232 5.823 3.014 397 HG23 THR 57 HG23 THR 57 -3.065 7.070 3.468 398 H ARG 58 H ARG 58 -3.190 3.693 0.226 399 HA ARG 58 HA ARG 58 -6.004 3.298 0.818 400 HB2 ARG 58 HB2 ARG 58 -4.417 2.873 -1.765 401 HB3 ARG 58 HB3 ARG 58 -6.183 2.826 -1.621 402 HG2 ARG 58 HG2 ARG 58 -6.254 5.158 -0.887 403 HG3 ARG 58 HG3 ARG 58 -4.494 5.261 -0.969 404 HD2 ARG 58 HD2 ARG 58 -4.630 4.654 -3.419 405 HD3 ARG 58 HD3 ARG 58 -6.393 4.722 -3.284 406 HE ARG 58 HE ARG 58 -4.897 7.129 -2.372 407 HH11 ARG 58 HH11 ARG 58 -6.661 5.790 -5.106 408 HH12 ARG 58 HH12 ARG 58 -6.856 7.370 -5.825 409 HH21 ARG 58 HH21 ARG 58 -5.106 8.964 -3.285 410 HH22 ARG 58 HH22 ARG 58 -5.972 9.179 -4.804 411 H PHE 59 H PHE 59 -3.399 0.978 -0.068 412 HA PHE 59 HA PHE 59 -5.066 -1.323 -0.261 413 HB2 PHE 59 HB2 PHE 59 -2.835 -1.340 -1.153 414 HB3 PHE 59 HB3 PHE 59 -2.144 -0.910 0.409 415 HD1 PHE 59 HD1 PHE 59 -4.360 -3.598 -1.062 416 HD2 PHE 59 HD2 PHE 59 -1.152 -2.612 1.640 417 HE1 PHE 59 HE1 PHE 59 -4.158 -5.984 -0.428 418 HE2 PHE 59 HE2 PHE 59 -0.911 -5.006 2.218 419 HZ PHE 59 HZ PHE 59 -2.410 -6.707 1.193 420 H LYS 60 H LYS 60 -3.292 -0.031 2.597 421 HA LYS 60 HA LYS 60 -4.232 -2.120 4.298 422 HB2 LYS 60 HB2 LYS 60 -2.173 -0.687 4.629 423 HB3 LYS 60 HB3 LYS 60 -3.243 0.620 5.175 424 HG2 LYS 60 HG2 LYS 60 -4.066 -0.866 7.022 425 HG3 LYS 60 HG3 LYS 60 -3.014 -2.167 6.423 426 HD2 LYS 60 HD2 LYS 60 -1.029 -0.674 6.818 427 HD3 LYS 60 HD3 LYS 60 -2.127 0.547 7.507 428 HE2 LYS 60 HE2 LYS 60 -2.831 -1.051 9.253 429 HE3 LYS 60 HE3 LYS 60 -1.812 -2.306 8.531 430 HZ1 LYS 60 HZ1 LYS 60 -0.724 -1.207 10.412 431 HZ2 LYS 60 HZ2 LYS 60 -0.780 0.245 9.670 432 HZ3 LYS 60 HZ3 LYS 60 0.137 -0.962 9.045 433 H ASP 61 H ASP 61 -5.570 1.068 3.566 434 HA ASP 61 HA ASP 61 -7.729 0.920 5.502 435 HB2 ASP 61 HB2 ASP 61 -6.756 3.019 4.566 436 HB3 ASP 61 HB3 ASP 61 -7.410 2.595 2.981 437 H GLY 62 H GLY 62 -7.255 -0.705 2.529 438 HA2 GLY 62 HA2 GLY 62 -8.613 -2.280 1.499 439 HA3 GLY 62 HA3 GLY 62 -9.977 -1.803 2.520 440 H GLY 63 H GLY 63 -8.514 0.861 0.946 441 HA2 GLY 63 HA2 GLY 63 -10.713 1.238 -0.982 442 HA3 GLY 63 HA3 GLY 63 -9.362 2.332 -0.664 443 H LEU 64 H LEU 64 -7.721 -0.399 -1.015 444 HA LEU 64 HA LEU 64 -7.680 -0.567 -3.979 445 HB2 LEU 64 HB2 LEU 64 -5.976 1.092 -3.004 446 HB3 LEU 64 HB3 LEU 64 -5.237 -0.286 -2.196 447 HG LEU 64 HG LEU 64 -4.878 -1.294 -4.530 448 HD11 LEU 64 HD11 LEU 64 -5.600 1.569 -5.289 449 HD12 LEU 64 HD12 LEU 64 -6.499 0.112 -5.772 450 HD13 LEU 64 HD13 LEU 64 -4.854 0.385 -6.376 451 HD21 LEU 64 HD21 LEU 64 -3.557 1.373 -3.889 452 HD22 LEU 64 HD22 LEU 64 -2.915 0.112 -4.963 453 HD23 LEU 64 HD23 LEU 64 -3.082 -0.203 -3.224 454 H ASP 65 H ASP 65 -7.209 -2.621 -4.748 455 HA ASP 65 HA ASP 65 -7.213 -4.865 -2.825 456 HB2 ASP 65 HB2 ASP 65 -8.604 -4.723 -4.958 457 HB3 ASP 65 HB3 ASP 65 -7.105 -4.985 -5.856 458 H ARG 66 H ARG 66 -5.688 -6.685 -3.170 459 HA ARG 66 HA ARG 66 -2.937 -5.760 -2.979 460 HB2 ARG 66 HB2 ARG 66 -4.057 -7.805 -1.821 461 HB3 ARG 66 HB3 ARG 66 -3.756 -8.663 -3.326 462 HG2 ARG 66 HG2 ARG 66 -1.326 -8.068 -3.148 463 HG3 ARG 66 HG3 ARG 66 -1.654 -7.247 -1.617 464 HD2 ARG 66 HD2 ARG 66 -2.091 -10.213 -2.152 465 HD3 ARG 66 HD3 ARG 66 -0.677 -9.494 -1.371 466 HE ARG 66 HE ARG 66 -3.227 -8.810 -0.074 467 HH11 ARG 66 HH11 ARG 66 -0.657 -11.240 -0.148 468 HH12 ARG 66 HH12 ARG 66 -0.901 -11.588 1.560 469 HH21 ARG 66 HH21 ARG 66 -3.494 -9.481 2.080 470 HH22 ARG 66 HH22 ARG 66 -2.411 -10.706 2.706 471 H ALA 67 H ALA 67 -4.818 -7.339 -5.544 472 HA ALA 67 HA ALA 67 -2.651 -7.746 -7.380 473 HB1 ALA 67 HB1 ALA 67 -4.464 -8.099 -9.003 474 HB2 ALA 67 HB2 ALA 67 -4.824 -8.926 -7.486 475 HB3 ALA 67 HB3 ALA 67 -5.640 -7.388 -7.877 476 H ALA 68 H ALA 68 -4.519 -4.865 -6.609 477 HA ALA 68 HA ALA 68 -3.451 -3.330 -8.893 478 HB1 ALA 68 HB1 ALA 68 -5.147 -2.499 -6.504 479 HB2 ALA 68 HB2 ALA 68 -4.752 -1.503 -7.915 480 HB3 ALA 68 HB3 ALA 68 -5.754 -2.946 -8.108 481 H ALA 69 H ALA 69 -2.975 -3.534 -5.315 482 HA ALA 69 HA ALA 69 -1.013 -1.518 -5.102 483 HB1 ALA 69 HB1 ALA 69 -0.416 -2.605 -2.991 484 HB2 ALA 69 HB2 ALA 69 -2.180 -2.582 -3.193 485 HB3 ALA 69 HB3 ALA 69 -1.276 -4.084 -3.467 486 H GLN 70 H GLN 70 -0.508 -5.039 -5.685 487 HA GLN 70 HA GLN 70 2.327 -5.009 -5.891 488 HB2 GLN 70 HB2 GLN 70 0.227 -6.719 -7.282 489 HB3 GLN 70 HB3 GLN 70 1.974 -7.024 -7.374 490 HG2 GLN 70 HG2 GLN 70 2.144 -7.464 -5.035 491 HG3 GLN 70 HG3 GLN 70 0.492 -6.941 -4.725 492 HE21 GLN 70 HE21 GLN 70 1.135 -9.380 -3.759 493 HE22 GLN 70 HE22 GLN 70 0.384 -10.623 -4.743 494 H ALA 71 H ALA 71 -0.157 -4.381 -8.418 495 HA ALA 71 HA ALA 71 1.652 -4.243 -10.624 496 HB1 ALA 71 HB1 ALA 71 -0.823 -4.565 -10.783 497 HB2 ALA 71 HB2 ALA 71 -1.064 -2.902 -10.192 498 HB3 ALA 71 HB3 ALA 71 -0.260 -3.185 -11.746 499 H LEU 72 H LEU 72 0.211 -1.700 -8.571 500 HA LEU 72 HA LEU 72 1.483 0.465 -9.958 501 HB2 LEU 72 HB2 LEU 72 0.053 0.209 -7.272 502 HB3 LEU 72 HB3 LEU 72 0.506 1.760 -8.002 503 HG LEU 72 HG LEU 72 -1.313 -0.252 -9.409 504 HD11 LEU 72 HD11 LEU 72 -2.072 2.204 -7.797 505 HD12 LEU 72 HD12 LEU 72 -2.357 0.502 -7.340 506 HD13 LEU 72 HD13 LEU 72 -3.172 1.176 -8.763 507 HD21 LEU 72 HD21 LEU 72 -0.260 1.231 -10.956 508 HD22 LEU 72 HD22 LEU 72 -0.599 2.639 -9.931 509 HD23 LEU 72 HD23 LEU 72 -1.930 1.767 -10.733 510 H LEU 73 H LEU 73 2.369 -1.304 -7.053 511 HA LEU 73 HA LEU 73 4.729 0.263 -6.411 512 HB2 LEU 73 HB2 LEU 73 3.928 -2.614 -5.814 513 HB3 LEU 73 HB3 LEU 73 5.397 -1.879 -5.186 514 HG LEU 73 HG LEU 73 2.617 -0.768 -4.655 515 HD11 LEU 73 HD11 LEU 73 2.785 -1.751 -2.415 516 HD12 LEU 73 HD12 LEU 73 4.354 -2.487 -2.843 517 HD13 LEU 73 HD13 LEU 73 2.867 -3.016 -3.657 518 HD21 LEU 73 HD21 LEU 73 4.433 0.902 -4.373 519 HD22 LEU 73 HD22 LEU 73 5.205 -0.205 -3.218 520 HD23 LEU 73 HD23 LEU 73 3.620 0.506 -2.858 521 H ALA 74 H ALA 74 4.197 -2.520 -8.566 522 HA ALA 74 HA ALA 74 6.995 -2.630 -9.385 523 HB1 ALA 74 HB1 ALA 74 4.537 -4.020 -10.500 524 HB2 ALA 74 HB2 ALA 74 6.227 -4.404 -10.885 525 HB3 ALA 74 HB3 ALA 74 5.624 -4.644 -9.237 526 H GLY 75 H GLY 75 4.711 -0.338 -10.161 527 HA2 GLY 75 HA2 GLY 75 4.855 1.411 -11.634 528 HA3 GLY 75 HA3 GLY 75 6.265 0.670 -12.395 529 H ARG 76 H ARG 76 3.234 -1.107 -12.188 530 HA ARG 76 HA ARG 76 2.629 -0.651 -15.079 531 HB2 ARG 76 HB2 ARG 76 2.129 -3.055 -15.319 532 HB3 ARG 76 HB3 ARG 76 3.825 -2.732 -14.968 533 HG2 ARG 76 HG2 ARG 76 3.452 -3.323 -12.587 534 HG3 ARG 76 HG3 ARG 76 1.749 -3.683 -12.957 535 HD2 ARG 76 HD2 ARG 76 2.447 -5.512 -14.425 536 HD3 ARG 76 HD3 ARG 76 4.135 -5.069 -14.225 537 HE ARG 76 HE ARG 76 4.203 -6.016 -12.113 538 HH11 ARG 76 HH11 ARG 76 0.874 -6.269 -13.258 539 HH12 ARG 76 HH12 ARG 76 0.418 -7.256 -11.890 540 HH21 ARG 76 HH21 ARG 76 3.522 -7.261 -10.433 541 HH22 ARG 76 HH22 ARG 76 1.872 -7.817 -10.360 542 H THR 77 H THR 77 0.394 -1.374 -15.694 543 HA THR 77 HA THR 77 -1.457 -0.028 -13.940 544 HB THR 77 HB THR 77 -3.171 -0.777 -15.707 545 HG1 THR 77 HG1 THR 77 -2.217 -1.406 -17.649 546 HG21 THR 77 HG21 THR 77 -0.739 0.862 -16.583 547 HG22 THR 77 HG22 THR 77 -2.136 1.480 -15.671 548 HG23 THR 77 HG23 THR 77 -2.352 0.886 -17.329 549 HA PRO 78 HA PRO 78 -3.030 -3.213 -11.385 550 HB2 PRO 78 HB2 PRO 78 -5.764 -2.166 -12.144 551 HB3 PRO 78 HB3 PRO 78 -5.165 -2.660 -10.541 552 HG2 PRO 78 HG2 PRO 78 -5.180 -0.045 -11.190 553 HG3 PRO 78 HG3 PRO 78 -3.698 -0.734 -10.439 554 HD2 PRO 78 HD2 PRO 78 -4.240 -0.182 -13.375 555 HD3 PRO 78 HD3 PRO 78 -2.790 0.175 -12.392 556 H ALA 79 H ALA 79 -3.509 -5.308 -11.481 557 HA ALA 79 HA ALA 79 -3.822 -7.362 -12.313 558 HB1 ALA 79 HB1 ALA 79 -6.406 -6.175 -13.394 559 HB2 ALA 79 HB2 ALA 79 -6.085 -7.879 -12.994 560 HB3 ALA 79 HB3 ALA 79 -6.102 -6.670 -11.707 561 H ALA 80 H ALA 80 -2.264 -5.609 -14.129 562 HA ALA 80 HA ALA 80 -2.349 -7.351 -16.537 563 HB1 ALA 80 HB1 ALA 80 -2.020 -5.358 -17.963 564 HB2 ALA 80 HB2 ALA 80 -3.553 -5.243 -17.072 565 HB3 ALA 80 HB3 ALA 80 -2.134 -4.309 -16.539 566 H ALA 81 H ALA 81 -0.349 -7.264 -17.797 567 HA ALA 81 HA ALA 81 2.042 -6.283 -16.398 568 HB1 ALA 81 HB1 ALA 81 1.703 -9.173 -17.279 569 HB2 ALA 81 HB2 ALA 81 3.203 -8.451 -16.662 570 HB3 ALA 81 HB3 ALA 81 1.781 -8.591 -15.603 571 HA PRO 82 HA PRO 82 2.970 -5.290 -20.608 572 HB2 PRO 82 HB2 PRO 82 5.317 -3.960 -20.338 573 HB3 PRO 82 HB3 PRO 82 3.824 -3.407 -19.524 574 HG2 PRO 82 HG2 PRO 82 6.033 -5.142 -18.349 575 HG3 PRO 82 HG3 PRO 82 5.355 -3.619 -17.674 576 HD2 PRO 82 HD2 PRO 82 4.461 -6.091 -16.898 577 HD3 PRO 82 HD3 PRO 82 3.371 -4.671 -17.035 578 H ARG 83 H ARG 83 4.007 -8.021 -19.592 579 HA ARG 83 HA ARG 83 5.996 -8.559 -21.759 580 HB2 ARG 83 HB2 ARG 83 6.143 -9.527 -18.875 581 HB3 ARG 83 HB3 ARG 83 7.136 -10.170 -20.196 582 HG2 ARG 83 HG2 ARG 83 8.065 -7.907 -20.616 583 HG3 ARG 83 HG3 ARG 83 7.173 -7.278 -19.222 584 HD2 ARG 83 HD2 ARG 83 9.271 -9.494 -19.122 585 HD3 ARG 83 HD3 ARG 83 9.557 -7.785 -18.744 586 HE ARG 83 HE ARG 83 7.378 -8.766 -17.160 587 HH11 ARG 83 HH11 ARG 83 10.888 -8.946 -17.255 588 HH12 ARG 83 HH12 ARG 83 10.985 -9.204 -15.515 589 HH21 ARG 83 HH21 ARG 83 7.613 -9.131 -14.983 590 HH22 ARG 83 HH22 ARG 83 9.215 -9.320 -14.303 591 HA PRO 84 HA PRO 84 3.312 -11.944 -22.807 592 HB2 PRO 84 HB2 PRO 84 4.974 -13.617 -24.180 593 HB3 PRO 84 HB3 PRO 84 4.432 -12.034 -24.812 594 HG2 PRO 84 HG2 PRO 84 7.044 -12.679 -23.405 595 HG3 PRO 84 HG3 PRO 84 6.805 -11.762 -24.926 596 HD2 PRO 84 HD2 PRO 84 7.125 -10.514 -22.526 597 HD3 PRO 84 HD3 PRO 84 6.017 -9.862 -23.764 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 22.241 -7.096 -10.270 2 H2 GLY 1 H2 GLY 1 23.123 -8.275 -9.547 3 H3 GLY 1 H3 GLY 1 21.567 -8.550 -9.972 4 HA2 GLY 1 HA2 GLY 1 23.814 -8.029 -11.829 5 HA3 GLY 1 HA3 GLY 1 23.072 -9.616 -11.525 6 HA PRO 2 HA PRO 2 21.084 -7.896 -15.298 7 HB2 PRO 2 HB2 PRO 2 20.811 -10.854 -15.801 8 HB3 PRO 2 HB3 PRO 2 21.247 -9.545 -16.950 9 HG2 PRO 2 HG2 PRO 2 23.175 -11.148 -15.943 10 HG3 PRO 2 HG3 PRO 2 23.449 -9.377 -16.051 11 HD2 PRO 2 HD2 PRO 2 22.588 -11.006 -13.630 12 HD3 PRO 2 HD3 PRO 2 23.863 -9.745 -13.768 13 H GLY 3 H GLY 3 18.922 -7.980 -16.145 14 HA2 GLY 3 HA2 GLY 3 16.627 -8.278 -16.115 15 HA3 GLY 3 HA3 GLY 3 16.786 -9.495 -14.855 16 H SER 4 H SER 4 14.696 -8.060 -14.512 17 HA SER 4 HA SER 4 13.496 -6.569 -13.314 18 HB2 SER 4 HB2 SER 4 15.681 -6.980 -11.290 19 HB3 SER 4 HB3 SER 4 14.062 -6.346 -10.959 20 HG SER 4 HG SER 4 13.168 -8.302 -11.599 21 H TYR 5 H TYR 5 15.257 -5.245 -15.169 22 HA TYR 5 HA TYR 5 15.471 -2.534 -13.955 23 HB2 TYR 5 HB2 TYR 5 17.670 -4.315 -14.853 24 HB3 TYR 5 HB3 TYR 5 17.711 -2.745 -15.614 25 HD1 TYR 5 HD2 TYR 5 17.833 -4.481 -12.337 26 HD2 TYR 5 HD1 TYR 5 18.256 -0.720 -14.407 27 HE1 TYR 5 HE2 TYR 5 18.885 -3.479 -10.312 28 HE2 TYR 5 HE1 TYR 5 19.307 0.282 -12.397 29 HH TYR 5 HH TYR 5 19.986 -0.062 -10.228 30 H THR 6 H THR 6 15.902 -0.848 -15.505 31 HA THR 6 HA THR 6 15.289 0.504 -17.167 32 HB THR 6 HB THR 6 15.881 -0.065 -19.429 33 HG1 THR 6 HG1 THR 6 15.804 -2.707 -18.451 34 HG21 THR 6 HG21 THR 6 17.705 0.338 -17.812 35 HG22 THR 6 HG22 THR 6 18.158 -0.734 -19.145 36 HG23 THR 6 HG23 THR 6 17.844 -1.422 -17.539 37 H GLY 7 H GLY 7 13.028 -1.398 -16.198 38 HA2 GLY 7 HA2 GLY 7 10.736 -1.397 -16.525 39 HA3 GLY 7 HA3 GLY 7 10.918 -0.389 -17.963 40 H ALA 8 H ALA 8 13.011 -2.677 -18.807 41 HA ALA 8 HA ALA 8 11.158 -4.405 -20.253 42 HB1 ALA 8 HB1 ALA 8 14.171 -4.592 -19.800 43 HB2 ALA 8 HB2 ALA 8 13.225 -5.524 -20.982 44 HB3 ALA 8 HB3 ALA 8 13.381 -3.774 -21.162 45 H GLY 9 H GLY 9 13.201 -4.672 -17.347 46 HA2 GLY 9 HA2 GLY 9 11.820 -7.181 -16.486 47 HA3 GLY 9 HA3 GLY 9 13.296 -6.524 -15.804 48 H GLU 10 H GLU 10 11.257 -7.290 -14.186 49 HA GLU 10 HA GLU 10 10.381 -4.817 -12.847 50 HB2 GLU 10 HB2 GLU 10 8.127 -5.734 -12.578 51 HB3 GLU 10 HB3 GLU 10 8.537 -5.425 -14.256 52 HG2 GLU 10 HG2 GLU 10 9.075 -7.921 -14.457 53 HG3 GLU 10 HG3 GLU 10 8.415 -8.116 -12.827 54 HA PRO 11 HA PRO 11 11.580 -7.085 -9.200 55 HB2 PRO 11 HB2 PRO 11 9.994 -6.055 -7.223 56 HB3 PRO 11 HB3 PRO 11 11.302 -5.125 -8.017 57 HG2 PRO 11 HG2 PRO 11 8.345 -5.129 -8.680 58 HG3 PRO 11 HG3 PRO 11 9.410 -3.708 -8.394 59 HD2 PRO 11 HD2 PRO 11 8.863 -4.558 -10.908 60 HD3 PRO 11 HD3 PRO 11 10.496 -3.989 -10.485 61 H SER 12 H SER 12 10.961 -8.721 -7.685 62 HA SER 12 HA SER 12 9.212 -10.650 -8.782 63 HB2 SER 12 HB2 SER 12 10.474 -10.549 -6.018 64 HB3 SER 12 HB3 SER 12 9.797 -11.996 -6.805 65 HG SER 12 HG SER 12 12.099 -11.814 -7.067 66 H GLN 13 H GLN 13 7.120 -11.076 -8.564 67 HA GLN 13 HA GLN 13 5.343 -9.567 -6.916 68 HB2 GLN 13 HB2 GLN 13 3.605 -11.033 -7.703 69 HB3 GLN 13 HB3 GLN 13 4.673 -10.580 -9.034 70 HG2 GLN 13 HG2 GLN 13 5.829 -12.800 -8.808 71 HG3 GLN 13 HG3 GLN 13 4.682 -13.250 -7.546 72 HE21 GLN 13 HE21 GLN 13 2.311 -13.341 -8.208 73 HE22 GLN 13 HE22 GLN 13 1.959 -13.757 -9.877 74 H ALA 14 H ALA 14 7.065 -12.543 -6.217 75 HA ALA 14 HA ALA 14 5.450 -13.305 -3.944 76 HB1 ALA 14 HB1 ALA 14 6.805 -14.907 -5.237 77 HB2 ALA 14 HB2 ALA 14 8.301 -14.078 -4.717 78 HB3 ALA 14 HB3 ALA 14 7.280 -14.896 -3.524 79 H ASP 15 H ASP 15 8.275 -11.213 -4.336 80 HA ASP 15 HA ASP 15 8.792 -10.853 -1.496 81 HB2 ASP 15 HB2 ASP 15 10.515 -10.531 -3.277 82 HB3 ASP 15 HB3 ASP 15 9.597 -9.152 -3.885 83 H LEU 16 H LEU 16 6.906 -9.183 -3.917 84 HA LEU 16 HA LEU 16 5.917 -7.075 -2.197 85 HB2 LEU 16 HB2 LEU 16 4.926 -8.305 -4.803 86 HB3 LEU 16 HB3 LEU 16 4.088 -6.979 -4.018 87 HG LEU 16 HG LEU 16 7.033 -6.720 -4.679 88 HD11 LEU 16 HD11 LEU 16 5.964 -7.335 -6.770 89 HD12 LEU 16 HD12 LEU 16 6.386 -5.623 -6.786 90 HD13 LEU 16 HD13 LEU 16 4.697 -6.110 -6.521 91 HD21 LEU 16 HD21 LEU 16 5.994 -5.034 -3.179 92 HD22 LEU 16 HD22 LEU 16 4.764 -4.704 -4.431 93 HD23 LEU 16 HD23 LEU 16 6.468 -4.325 -4.736 94 H ASP 17 H ASP 17 4.476 -10.238 -3.174 95 HA ASP 17 HA ASP 17 2.092 -9.991 -1.697 96 HB2 ASP 17 HB2 ASP 17 2.675 -11.726 -3.433 97 HB3 ASP 17 HB3 ASP 17 3.738 -12.508 -2.264 98 H ALA 18 H ALA 18 5.270 -11.145 -0.575 99 HA ALA 18 HA ALA 18 4.398 -11.995 2.046 100 HB1 ALA 18 HB1 ALA 18 6.823 -12.014 2.532 101 HB2 ALA 18 HB2 ALA 18 6.468 -12.795 0.971 102 HB3 ALA 18 HB3 ALA 18 7.142 -11.146 1.020 103 H LEU 19 H LEU 19 5.790 -8.940 0.820 104 HA LEU 19 HA LEU 19 5.919 -7.536 3.323 105 HB2 LEU 19 HB2 LEU 19 7.127 -6.975 1.165 106 HB3 LEU 19 HB3 LEU 19 5.588 -6.508 0.476 107 HG LEU 19 HG LEU 19 5.503 -4.872 2.633 108 HD11 LEU 19 HD11 LEU 19 7.642 -5.753 3.551 109 HD12 LEU 19 HD12 LEU 19 7.699 -4.024 3.190 110 HD13 LEU 19 HD13 LEU 19 8.478 -5.186 2.097 111 HD21 LEU 19 HD21 LEU 19 6.510 -3.133 1.183 112 HD22 LEU 19 HD22 LEU 19 5.320 -4.140 0.346 113 HD23 LEU 19 HD23 LEU 19 7.074 -4.404 0.076 114 H LEU 20 H LEU 20 3.465 -7.637 0.721 115 HA LEU 20 HA LEU 20 1.682 -5.742 1.825 116 HB2 LEU 20 HB2 LEU 20 1.345 -8.013 -0.123 117 HB3 LEU 20 HB3 LEU 20 0.028 -6.899 0.224 118 HG LEU 20 HG LEU 20 2.736 -5.877 -0.751 119 HD11 LEU 20 HD11 LEU 20 0.304 -6.507 -2.466 120 HD12 LEU 20 HD12 LEU 20 1.800 -7.473 -2.433 121 HD13 LEU 20 HD13 LEU 20 1.856 -5.797 -3.000 122 HD21 LEU 20 HD21 LEU 20 1.417 -3.941 -1.464 123 HD22 LEU 20 HD22 LEU 20 1.223 -4.207 0.266 124 HD23 LEU 20 HD23 LEU 20 -0.068 -4.703 -0.853 125 H SER 21 H SER 21 1.629 -9.376 2.093 126 HA SER 21 HA SER 21 -0.697 -9.525 3.779 127 HB2 SER 21 HB2 SER 21 1.742 -11.330 3.535 128 HB3 SER 21 HB3 SER 21 0.371 -11.688 4.594 129 HG SER 21 HG SER 21 0.042 -12.663 2.609 130 H ALA 22 H ALA 22 2.698 -8.765 4.587 131 HA ALA 22 HA ALA 22 2.309 -9.011 7.437 132 HB1 ALA 22 HB1 ALA 22 4.480 -7.539 5.902 133 HB2 ALA 22 HB2 ALA 22 4.527 -8.063 7.600 134 HB3 ALA 22 HB3 ALA 22 4.498 -9.271 6.305 135 H VAL 23 H VAL 23 1.958 -6.250 5.143 136 HA VAL 23 HA VAL 23 1.441 -4.416 7.405 137 HB VAL 23 HB VAL 23 2.651 -3.561 5.541 138 HG11 VAL 23 HG11 VAL 23 0.167 -4.051 3.869 139 HG12 VAL 23 HG12 VAL 23 1.638 -3.188 3.362 140 HG13 VAL 23 HG13 VAL 23 1.733 -4.888 3.750 141 HG21 VAL 23 HG21 VAL 23 1.520 -1.487 5.204 142 HG22 VAL 23 HG22 VAL 23 -0.071 -2.211 5.519 143 HG23 VAL 23 HG23 VAL 23 1.106 -2.037 6.838 144 H ARG 24 H ARG 24 -0.546 -6.220 5.085 145 HA ARG 24 HA ARG 24 -3.078 -5.080 5.835 146 HB2 ARG 24 HB2 ARG 24 -2.454 -6.563 3.803 147 HB3 ARG 24 HB3 ARG 24 -2.544 -7.933 4.902 148 HG2 ARG 24 HG2 ARG 24 -4.578 -7.839 3.728 149 HG3 ARG 24 HG3 ARG 24 -4.971 -7.291 5.348 150 HD2 ARG 24 HD2 ARG 24 -5.021 -4.952 4.582 151 HD3 ARG 24 HD3 ARG 24 -4.448 -5.446 2.982 152 HE ARG 24 HE ARG 24 -6.979 -6.622 4.016 153 HH11 ARG 24 HH11 ARG 24 -5.734 -4.234 1.761 154 HH12 ARG 24 HH12 ARG 24 -7.025 -4.523 0.628 155 HH21 ARG 24 HH21 ARG 24 -8.666 -6.784 2.631 156 HH22 ARG 24 HH22 ARG 24 -8.684 -5.851 1.165 157 H ASP 25 H ASP 25 -1.133 -7.624 7.318 158 HA ASP 25 HA ASP 25 -3.104 -8.038 9.496 159 HB2 ASP 25 HB2 ASP 25 -1.890 -9.930 8.350 160 HB3 ASP 25 HB3 ASP 25 -0.390 -9.330 9.051 161 H ASN 26 H ASN 26 -1.182 -5.585 8.940 162 HA ASN 26 HA ASN 26 0.028 -4.092 9.970 163 HB2 ASN 26 HB2 ASN 26 -0.964 -3.061 11.888 164 HB3 ASN 26 HB3 ASN 26 -2.190 -3.588 10.746 165 HD21 ASN 26 HD21 ASN 26 -0.569 -4.536 13.797 166 HD22 ASN 26 HD22 ASN 26 -2.048 -5.185 14.524 167 H ARG 27 H ARG 27 1.286 -6.558 10.067 168 HA ARG 27 HA ARG 27 3.031 -6.532 12.449 169 HB2 ARG 27 HB2 ARG 27 3.531 -7.872 9.761 170 HB3 ARG 27 HB3 ARG 27 4.311 -8.223 11.283 171 HG2 ARG 27 HG2 ARG 27 1.436 -8.895 10.528 172 HG3 ARG 27 HG3 ARG 27 2.807 -9.985 10.611 173 HD2 ARG 27 HD2 ARG 27 1.761 -10.437 12.609 174 HD3 ARG 27 HD3 ARG 27 3.003 -9.276 13.099 175 HE ARG 27 HE ARG 27 0.316 -8.197 12.398 176 HH11 ARG 27 HH11 ARG 27 2.351 -9.193 15.085 177 HH12 ARG 27 HH12 ARG 27 1.370 -8.340 16.239 178 HH21 ARG 27 HH21 ARG 27 -0.864 -7.178 13.905 179 HH22 ARG 27 HH22 ARG 27 -0.428 -7.275 15.593 180 H LEU 28 H LEU 28 2.906 -5.188 9.192 181 HA LEU 28 HA LEU 28 5.589 -3.922 9.505 182 HB2 LEU 28 HB2 LEU 28 4.978 -5.807 7.776 183 HB3 LEU 28 HB3 LEU 28 4.124 -4.543 6.926 184 HG LEU 28 HG LEU 28 6.259 -4.945 5.916 185 HD11 LEU 28 HD11 LEU 28 5.493 -2.578 6.102 186 HD12 LEU 28 HD12 LEU 28 7.237 -2.824 5.828 187 HD13 LEU 28 HD13 LEU 28 6.652 -2.408 7.444 188 HD21 LEU 28 HD21 LEU 28 7.589 -4.247 8.576 189 HD22 LEU 28 HD22 LEU 28 8.395 -4.669 7.057 190 HD23 LEU 28 HD23 LEU 28 7.439 -5.899 7.917 191 H SER 29 H SER 29 5.727 -1.693 9.192 192 HA SER 29 HA SER 29 3.201 -0.181 9.264 193 HB2 SER 29 HB2 SER 29 6.048 0.822 9.444 194 HB3 SER 29 HB3 SER 29 4.593 1.772 9.740 195 HG SER 29 HG SER 29 4.109 0.452 11.514 196 H ILE 30 H ILE 30 2.749 1.678 7.944 197 HA ILE 30 HA ILE 30 2.827 1.312 5.131 198 HB ILE 30 HB ILE 30 2.482 3.817 6.865 199 HG12 ILE 30 HG12 ILE 30 0.777 2.118 7.348 200 HG13 ILE 30 HG13 ILE 30 0.109 3.553 6.612 201 HG21 ILE 30 HG21 ILE 30 1.907 3.498 3.893 202 HG22 ILE 30 HG22 ILE 30 1.287 4.825 4.914 203 HG23 ILE 30 HG23 ILE 30 3.024 4.611 4.696 204 HD11 ILE 30 HD11 ILE 30 -0.070 2.387 4.438 205 HD12 ILE 30 HD12 ILE 30 0.590 0.906 5.179 206 HD13 ILE 30 HD13 ILE 30 -0.961 1.580 5.717 207 H GLU 31 H GLU 31 4.897 3.516 7.122 208 HA GLU 31 HA GLU 31 6.427 4.301 4.780 209 HB2 GLU 31 HB2 GLU 31 6.952 4.780 7.723 210 HB3 GLU 31 HB3 GLU 31 7.807 5.559 6.372 211 HG2 GLU 31 HG2 GLU 31 5.581 6.417 5.550 212 HG3 GLU 31 HG3 GLU 31 4.843 5.831 7.038 213 H GLN 32 H GLN 32 6.809 1.737 7.146 214 HA GLN 32 HA GLN 32 9.591 1.118 6.555 215 HB2 GLN 32 HB2 GLN 32 7.268 -0.410 7.742 216 HB3 GLN 32 HB3 GLN 32 8.869 -1.133 7.499 217 HG2 GLN 32 HG2 GLN 32 9.841 0.528 9.034 218 HG3 GLN 32 HG3 GLN 32 8.245 1.267 9.263 219 HE21 GLN 32 HE21 GLN 32 9.625 0.352 11.519 220 HE22 GLN 32 HE22 GLN 32 8.781 -1.073 12.120 221 H ALA 33 H ALA 33 6.390 -0.042 5.303 222 HA ALA 33 HA ALA 33 7.502 -1.872 3.429 223 HB1 ALA 33 HB1 ALA 33 4.849 -0.416 3.635 224 HB2 ALA 33 HB2 ALA 33 5.200 -1.564 2.333 225 HB3 ALA 33 HB3 ALA 33 5.219 -2.122 4.003 226 H VAL 34 H VAL 34 7.081 1.645 3.187 227 HA VAL 34 HA VAL 34 7.781 1.728 0.344 228 HB VAL 34 HB VAL 34 7.661 3.915 2.444 229 HG11 VAL 34 HG11 VAL 34 8.074 4.072 -0.576 230 HG12 VAL 34 HG12 VAL 34 7.572 5.444 0.428 231 HG13 VAL 34 HG13 VAL 34 9.156 4.693 0.682 232 HG21 VAL 34 HG21 VAL 34 5.789 3.174 0.151 233 HG22 VAL 34 HG22 VAL 34 5.467 2.838 1.846 234 HG23 VAL 34 HG23 VAL 34 5.574 4.514 1.306 235 H THR 35 H THR 35 9.607 2.183 3.434 236 HA THR 35 HA THR 35 12.015 2.793 2.021 237 HB THR 35 HB THR 35 11.338 3.268 4.506 238 HG1 THR 35 HG1 THR 35 14.000 2.713 3.727 239 HG21 THR 35 HG21 THR 35 11.453 0.905 5.330 240 HG22 THR 35 HG22 THR 35 12.563 2.003 6.152 241 HG23 THR 35 HG23 THR 35 13.190 0.880 4.928 242 H LEU 36 H LEU 36 10.601 -0.260 2.863 243 HA LEU 36 HA LEU 36 12.995 -1.795 2.078 244 HB2 LEU 36 HB2 LEU 36 10.162 -2.656 2.775 245 HB3 LEU 36 HB3 LEU 36 11.493 -3.750 2.439 246 HG LEU 36 HG LEU 36 11.366 -1.811 4.789 247 HD11 LEU 36 HD11 LEU 36 11.155 -3.829 6.145 248 HD12 LEU 36 HD12 LEU 36 11.186 -4.842 4.684 249 HD13 LEU 36 HD13 LEU 36 9.833 -3.720 4.973 250 HD21 LEU 36 HD21 LEU 36 13.674 -2.055 4.159 251 HD22 LEU 36 HD22 LEU 36 13.504 -3.832 4.053 252 HD23 LEU 36 HD23 LEU 36 13.369 -2.993 5.616 253 H LEU 37 H LEU 37 10.025 -0.691 0.482 254 HA LEU 37 HA LEU 37 10.377 -2.253 -1.936 255 HB2 LEU 37 HB2 LEU 37 8.249 -1.121 -1.277 256 HB3 LEU 37 HB3 LEU 37 9.046 0.442 -1.427 257 HG LEU 37 HG LEU 37 9.482 -0.317 -3.944 258 HD11 LEU 37 HD11 LEU 37 8.623 -2.649 -3.563 259 HD12 LEU 37 HD12 LEU 37 7.723 -1.759 -4.811 260 HD13 LEU 37 HD13 LEU 37 7.022 -1.958 -3.197 261 HD21 LEU 37 HD21 LEU 37 7.236 0.614 -4.536 262 HD22 LEU 37 HD22 LEU 37 8.145 1.584 -3.369 263 HD23 LEU 37 HD23 LEU 37 6.821 0.553 -2.798 264 H THR 38 H THR 38 11.316 1.047 -0.950 265 HA THR 38 HA THR 38 12.656 1.787 -3.368 266 HB THR 38 HB THR 38 13.055 2.916 -0.564 267 HG1 THR 38 HG1 THR 38 10.933 3.053 -1.006 268 HG21 THR 38 HG21 THR 38 14.684 3.833 -2.204 269 HG22 THR 38 HG22 THR 38 13.509 5.035 -1.685 270 HG23 THR 38 HG23 THR 38 13.339 4.278 -3.283 271 HA PRO 39 HA PRO 39 16.650 -0.274 -2.642 272 HB2 PRO 39 HB2 PRO 39 18.340 1.331 -4.121 273 HB3 PRO 39 HB3 PRO 39 17.250 0.110 -4.832 274 HG2 PRO 39 HG2 PRO 39 16.733 3.088 -4.507 275 HG3 PRO 39 HG3 PRO 39 16.523 2.084 -5.978 276 HD2 PRO 39 HD2 PRO 39 14.417 2.653 -4.405 277 HD3 PRO 39 HD3 PRO 39 14.591 1.017 -5.084 278 H ARG 40 H ARG 40 18.525 0.075 -1.361 279 HA ARG 40 HA ARG 40 17.962 1.756 0.862 280 HB2 ARG 40 HB2 ARG 40 20.383 0.036 0.253 281 HB3 ARG 40 HB3 ARG 40 20.066 0.831 1.804 282 HG2 ARG 40 HG2 ARG 40 17.848 -0.349 1.936 283 HG3 ARG 40 HG3 ARG 40 18.237 -1.194 0.436 284 HD2 ARG 40 HD2 ARG 40 18.737 -2.697 2.175 285 HD3 ARG 40 HD3 ARG 40 20.287 -2.120 1.547 286 HE ARG 40 HE ARG 40 19.589 -0.446 3.723 287 HH11 ARG 40 HH11 ARG 40 20.418 -3.826 3.306 288 HH12 ARG 40 HH12 ARG 40 20.990 -3.991 4.946 289 HH21 ARG 40 HH21 ARG 40 20.357 -0.714 5.791 290 HH22 ARG 40 HH22 ARG 40 20.956 -2.259 6.305 291 H ARG 41 H ARG 41 19.628 2.664 -1.911 292 HA ARG 41 HA ARG 41 20.981 5.002 -0.609 293 HB2 ARG 41 HB2 ARG 41 21.119 4.035 -3.493 294 HB3 ARG 41 HB3 ARG 41 22.067 5.338 -2.774 295 HG2 ARG 41 HG2 ARG 41 22.249 2.369 -2.095 296 HG3 ARG 41 HG3 ARG 41 23.411 3.308 -3.023 297 HD2 ARG 41 HD2 ARG 41 22.758 3.726 -0.077 298 HD3 ARG 41 HD3 ARG 41 24.163 2.882 -0.715 299 HE ARG 41 HE ARG 41 24.249 5.405 -1.911 300 HH11 ARG 41 HH11 ARG 41 24.439 4.201 1.383 301 HH12 ARG 41 HH12 ARG 41 25.387 5.561 1.919 302 HH21 ARG 41 HH21 ARG 41 25.441 7.118 -1.148 303 HH22 ARG 41 HH22 ARG 41 25.942 7.169 0.519 304 H GLY 42 H GLY 42 17.946 4.345 -1.849 305 HA2 GLY 42 HA2 GLY 42 17.478 6.754 -3.404 306 HA3 GLY 42 HA3 GLY 42 16.292 5.563 -2.896 307 H GLY 43 H GLY 43 15.566 8.124 -2.942 308 HA2 GLY 43 HA2 GLY 43 15.913 9.487 -0.374 309 HA3 GLY 43 HA3 GLY 43 15.002 10.052 -1.775 310 H GLY 44 H GLY 44 13.795 7.010 -1.184 311 HA2 GLY 44 HA2 GLY 44 11.922 6.166 -0.048 312 HA3 GLY 44 HA3 GLY 44 11.963 7.555 1.035 313 H SER 45 H SER 45 9.760 7.971 0.951 314 HA SER 45 HA SER 45 8.009 7.871 -1.173 315 HB2 SER 45 HB2 SER 45 7.840 9.879 1.103 316 HB3 SER 45 HB3 SER 45 6.503 9.155 0.199 317 HG SER 45 HG SER 45 6.906 8.191 2.296 318 H GLY 46 H GLY 46 7.453 9.080 -2.887 319 HA2 GLY 46 HA2 GLY 46 8.814 11.670 -3.423 320 HA3 GLY 46 HA3 GLY 46 7.977 10.656 -4.587 321 H GLY 47 H GLY 47 7.626 13.425 -4.378 322 HA2 GLY 47 HA2 GLY 47 5.087 14.057 -3.053 323 HA3 GLY 47 HA3 GLY 47 6.066 15.116 -4.064 324 H GLY 48 H GLY 48 5.778 12.569 -6.042 325 HA2 GLY 48 HA2 GLY 48 3.766 13.806 -7.724 326 HA3 GLY 48 HA3 GLY 48 4.672 12.345 -8.066 327 H SER 49 H SER 49 2.265 12.244 -8.981 328 HA SER 49 HA SER 49 0.246 11.184 -7.195 329 HB2 SER 49 HB2 SER 49 -0.929 10.577 -9.292 330 HB3 SER 49 HB3 SER 49 -0.439 12.270 -9.219 331 HG SER 49 HG SER 49 0.036 11.353 -11.249 332 H MET 50 H MET 50 -0.578 9.087 -7.113 333 HA MET 50 HA MET 50 -0.251 7.020 -6.336 334 HB2 MET 50 HB2 MET 50 -0.045 5.293 -7.979 335 HB3 MET 50 HB3 MET 50 -1.123 6.586 -8.497 336 HG2 MET 50 HG2 MET 50 0.596 7.506 -9.950 337 HG3 MET 50 HG3 MET 50 1.752 6.298 -9.392 338 HE1 MET 50 HE1 MET 50 2.354 5.666 -11.896 339 HE2 MET 50 HE2 MET 50 1.143 5.245 -13.121 340 HE3 MET 50 HE3 MET 50 1.189 6.896 -12.465 341 H ASP 51 H ASP 51 1.722 8.362 -5.255 342 HA ASP 51 HA ASP 51 4.289 7.020 -5.445 343 HB2 ASP 51 HB2 ASP 51 4.061 9.261 -4.469 344 HB3 ASP 51 HB3 ASP 51 3.002 8.604 -3.207 345 H ALA 52 H ALA 52 5.193 5.516 -3.955 346 HA ALA 52 HA ALA 52 3.643 3.235 -3.420 347 HB1 ALA 52 HB1 ALA 52 5.607 2.491 -2.135 348 HB2 ALA 52 HB2 ALA 52 6.053 3.201 -3.697 349 HB3 ALA 52 HB3 ALA 52 6.273 4.139 -2.196 350 H LYS 53 H LYS 53 4.290 6.013 -1.185 351 HA LYS 53 HA LYS 53 3.187 4.626 1.115 352 HB2 LYS 53 HB2 LYS 53 4.721 6.745 1.101 353 HB3 LYS 53 HB3 LYS 53 3.220 7.641 0.792 354 HG2 LYS 53 HG2 LYS 53 2.314 6.226 2.862 355 HG3 LYS 53 HG3 LYS 53 4.043 5.981 3.197 356 HD2 LYS 53 HD2 LYS 53 4.337 8.419 3.355 357 HD3 LYS 53 HD3 LYS 53 2.620 8.656 2.911 358 HE2 LYS 53 HE2 LYS 53 1.828 7.619 4.909 359 HE3 LYS 53 HE3 LYS 53 3.430 6.986 5.327 360 HZ1 LYS 53 HZ1 LYS 53 4.188 9.139 5.851 361 HZ2 LYS 53 HZ2 LYS 53 2.732 9.021 6.574 362 HZ3 LYS 53 HZ3 LYS 53 2.889 9.897 5.197 363 H GLU 54 H GLU 54 1.745 6.746 -1.346 364 HA GLU 54 HA GLU 54 -0.861 6.926 -0.115 365 HB2 GLU 54 HB2 GLU 54 0.020 8.500 -1.853 366 HB3 GLU 54 HB3 GLU 54 -0.023 7.200 -3.030 367 HG2 GLU 54 HG2 GLU 54 -1.940 8.596 -3.380 368 HG3 GLU 54 HG3 GLU 54 -2.477 7.032 -2.801 369 H ILE 55 H ILE 55 0.592 4.736 -2.536 370 HA ILE 55 HA ILE 55 -1.672 3.053 -2.974 371 HB ILE 55 HB ILE 55 1.318 2.529 -3.154 372 HG12 ILE 55 HG12 ILE 55 -0.631 2.815 -5.468 373 HG13 ILE 55 HG13 ILE 55 0.034 4.256 -4.719 374 HG21 ILE 55 HG21 ILE 55 0.626 0.572 -4.620 375 HG22 ILE 55 HG22 ILE 55 0.276 0.358 -2.904 376 HG23 ILE 55 HG23 ILE 55 -1.027 0.792 -4.038 377 HD11 ILE 55 HD11 ILE 55 1.329 3.542 -6.703 378 HD12 ILE 55 HD12 ILE 55 2.299 3.632 -5.233 379 HD13 ILE 55 HD13 ILE 55 1.795 2.049 -5.865 380 H LEU 56 H LEU 56 1.047 2.680 -0.599 381 HA LEU 56 HA LEU 56 -0.016 0.364 0.668 382 HB2 LEU 56 HB2 LEU 56 2.026 2.460 1.341 383 HB3 LEU 56 HB3 LEU 56 1.310 1.634 2.706 384 HG LEU 56 HG LEU 56 3.284 0.568 2.298 385 HD11 LEU 56 HD11 LEU 56 2.721 -1.720 1.947 386 HD12 LEU 56 HD12 LEU 56 1.301 -1.314 0.986 387 HD13 LEU 56 HD13 LEU 56 1.317 -0.937 2.721 388 HD21 LEU 56 HD21 LEU 56 2.525 0.264 -0.610 389 HD22 LEU 56 HD22 LEU 56 3.926 -0.523 0.176 390 HD23 LEU 56 HD23 LEU 56 3.845 1.237 0.089 391 H THR 57 H THR 57 -0.489 3.846 1.535 392 HA THR 57 HA THR 57 -2.126 3.435 3.774 393 HB THR 57 HB THR 57 -2.307 5.682 1.726 394 HG1 THR 57 HG1 THR 57 -0.295 5.594 2.613 395 HG21 THR 57 HG21 THR 57 -3.157 7.008 3.667 396 HG22 THR 57 HG22 THR 57 -3.273 5.505 4.614 397 HG23 THR 57 HG23 THR 57 -4.281 5.737 3.164 398 H ARG 58 H ARG 58 -3.203 3.713 0.342 399 HA ARG 58 HA ARG 58 -5.990 3.201 0.950 400 HB2 ARG 58 HB2 ARG 58 -4.424 2.922 -1.647 401 HB3 ARG 58 HB3 ARG 58 -6.194 2.814 -1.484 402 HG2 ARG 58 HG2 ARG 58 -6.328 5.127 -0.706 403 HG3 ARG 58 HG3 ARG 58 -4.569 5.288 -0.763 404 HD2 ARG 58 HD2 ARG 58 -4.681 4.722 -3.236 405 HD3 ARG 58 HD3 ARG 58 -6.456 4.802 -3.103 406 HE ARG 58 HE ARG 58 -4.979 7.171 -2.120 407 HH11 ARG 58 HH11 ARG 58 -6.580 5.892 -4.983 408 HH12 ARG 58 HH12 ARG 58 -6.706 7.477 -5.693 409 HH21 ARG 58 HH21 ARG 58 -5.105 9.016 -3.027 410 HH22 ARG 58 HH22 ARG 58 -5.889 9.260 -4.592 411 H PHE 59 H PHE 59 -3.307 0.995 0.162 412 HA PHE 59 HA PHE 59 -4.949 -1.341 -0.143 413 HB2 PHE 59 HB2 PHE 59 -2.711 -1.255 -1.051 414 HB3 PHE 59 HB3 PHE 59 -2.015 -0.970 0.539 415 HD1 PHE 59 HD1 PHE 59 -4.033 -3.494 -1.402 416 HD2 PHE 59 HD2 PHE 59 -1.349 -2.793 1.901 417 HE1 PHE 59 HE1 PHE 59 -3.965 -5.929 -0.941 418 HE2 PHE 59 HE2 PHE 59 -1.246 -5.230 2.321 419 HZ PHE 59 HZ PHE 59 -2.550 -6.812 0.918 420 H LYS 60 H LYS 60 -3.244 0.012 2.719 421 HA LYS 60 HA LYS 60 -4.122 -2.114 4.476 422 HB2 LYS 60 HB2 LYS 60 -2.109 -0.599 4.771 423 HB3 LYS 60 HB3 LYS 60 -3.224 0.679 5.287 424 HG2 LYS 60 HG2 LYS 60 -4.035 -0.828 7.124 425 HG3 LYS 60 HG3 LYS 60 -2.898 -2.074 6.572 426 HD2 LYS 60 HD2 LYS 60 -1.005 -0.517 7.044 427 HD3 LYS 60 HD3 LYS 60 -2.171 0.685 7.629 428 HE2 LYS 60 HE2 LYS 60 -2.978 -0.938 9.342 429 HE3 LYS 60 HE3 LYS 60 -1.795 -2.121 8.768 430 HZ1 LYS 60 HZ1 LYS 60 -1.126 0.552 9.903 431 HZ2 LYS 60 HZ2 LYS 60 -0.029 -0.581 9.451 432 HZ3 LYS 60 HZ3 LYS 60 -1.012 -0.848 10.727 433 H ASP 61 H ASP 61 -5.499 1.054 3.661 434 HA ASP 61 HA ASP 61 -7.734 0.908 5.488 435 HB2 ASP 61 HB2 ASP 61 -6.831 3.000 4.500 436 HB3 ASP 61 HB3 ASP 61 -7.360 2.479 2.898 437 H GLY 62 H GLY 62 -7.106 -0.809 2.566 438 HA2 GLY 62 HA2 GLY 62 -8.338 -2.470 1.545 439 HA3 GLY 62 HA3 GLY 62 -9.734 -2.101 2.563 440 H GLY 63 H GLY 63 -8.545 0.690 0.989 441 HA2 GLY 63 HA2 GLY 63 -10.815 0.857 -0.876 442 HA3 GLY 63 HA3 GLY 63 -9.562 2.074 -0.584 443 H LEU 64 H LEU 64 -7.574 -0.286 -1.062 444 HA LEU 64 HA LEU 64 -7.665 -0.449 -4.041 445 HB2 LEU 64 HB2 LEU 64 -6.257 1.392 -3.206 446 HB3 LEU 64 HB3 LEU 64 -5.280 0.271 -2.277 447 HG LEU 64 HG LEU 64 -5.518 -0.157 -5.251 448 HD11 LEU 64 HD11 LEU 64 -3.673 1.454 -5.624 449 HD12 LEU 64 HD12 LEU 64 -3.778 1.968 -3.932 450 HD13 LEU 64 HD13 LEU 64 -5.133 2.268 -5.047 451 HD21 LEU 64 HD21 LEU 64 -4.153 -1.702 -3.852 452 HD22 LEU 64 HD22 LEU 64 -3.190 -0.325 -3.276 453 HD23 LEU 64 HD23 LEU 64 -3.150 -0.779 -4.989 454 H ASP 65 H ASP 65 -7.116 -2.398 -4.896 455 HA ASP 65 HA ASP 65 -7.108 -4.659 -3.026 456 HB2 ASP 65 HB2 ASP 65 -7.193 -4.735 -6.052 457 HB3 ASP 65 HB3 ASP 65 -7.630 -6.025 -4.932 458 H ARG 66 H ARG 66 -5.731 -6.562 -3.288 459 HA ARG 66 HA ARG 66 -2.955 -5.986 -3.200 460 HB2 ARG 66 HB2 ARG 66 -4.106 -7.940 -2.153 461 HB3 ARG 66 HB3 ARG 66 -4.292 -8.668 -3.757 462 HG2 ARG 66 HG2 ARG 66 -1.850 -8.763 -4.039 463 HG3 ARG 66 HG3 ARG 66 -1.610 -7.974 -2.475 464 HD2 ARG 66 HD2 ARG 66 -3.014 -10.645 -2.863 465 HD3 ARG 66 HD3 ARG 66 -1.295 -10.463 -2.523 466 HE ARG 66 HE ARG 66 -3.503 -9.597 -0.676 467 HH11 ARG 66 HH11 ARG 66 -0.344 -11.142 -0.979 468 HH12 ARG 66 HH12 ARG 66 -0.099 -11.066 0.753 469 HH21 ARG 66 HH21 ARG 66 -3.118 -9.775 1.531 470 HH22 ARG 66 HH22 ARG 66 -1.599 -10.507 2.034 471 H ALA 67 H ALA 67 -4.863 -7.197 -5.967 472 HA ALA 67 HA ALA 67 -2.637 -7.621 -7.725 473 HB1 ALA 67 HB1 ALA 67 -4.375 -7.610 -9.493 474 HB2 ALA 67 HB2 ALA 67 -4.870 -8.580 -8.100 475 HB3 ALA 67 HB3 ALA 67 -5.546 -6.944 -8.333 476 H ALA 68 H ALA 68 -4.621 -4.713 -7.065 477 HA ALA 68 HA ALA 68 -3.329 -3.031 -9.052 478 HB1 ALA 68 HB1 ALA 68 -4.972 -2.316 -6.578 479 HB2 ALA 68 HB2 ALA 68 -4.521 -1.221 -7.896 480 HB3 ALA 68 HB3 ALA 68 -5.608 -2.582 -8.220 481 H ALA 69 H ALA 69 -2.836 -3.519 -5.489 482 HA ALA 69 HA ALA 69 -0.742 -1.638 -5.199 483 HB1 ALA 69 HB1 ALA 69 -1.128 -4.265 -3.696 484 HB2 ALA 69 HB2 ALA 69 -0.168 -2.867 -3.164 485 HB3 ALA 69 HB3 ALA 69 -1.924 -2.725 -3.292 486 H GLN 70 H GLN 70 -0.494 -5.162 -5.960 487 HA GLN 70 HA GLN 70 2.340 -5.215 -6.222 488 HB2 GLN 70 HB2 GLN 70 0.176 -6.949 -7.480 489 HB3 GLN 70 HB3 GLN 70 1.922 -7.266 -7.622 490 HG2 GLN 70 HG2 GLN 70 2.176 -7.513 -5.242 491 HG3 GLN 70 HG3 GLN 70 0.497 -7.076 -4.949 492 HE21 GLN 70 HE21 GLN 70 1.548 -9.460 -3.945 493 HE22 GLN 70 HE22 GLN 70 0.772 -10.787 -4.780 494 H ALA 71 H ALA 71 -0.158 -4.486 -8.706 495 HA ALA 71 HA ALA 71 1.647 -4.232 -10.918 496 HB1 ALA 71 HB1 ALA 71 -0.200 -2.923 -11.937 497 HB2 ALA 71 HB2 ALA 71 -0.794 -4.422 -11.192 498 HB3 ALA 71 HB3 ALA 71 -1.030 -2.866 -10.370 499 H LEU 72 H LEU 72 0.199 -1.655 -8.878 500 HA LEU 72 HA LEU 72 1.640 0.468 -10.093 501 HB2 LEU 72 HB2 LEU 72 0.014 0.104 -7.573 502 HB3 LEU 72 HB3 LEU 72 0.812 1.630 -7.917 503 HG LEU 72 HG LEU 72 -0.506 2.197 -9.686 504 HD11 LEU 72 HD11 LEU 72 -2.112 0.836 -10.880 505 HD12 LEU 72 HD12 LEU 72 -1.645 -0.608 -9.970 506 HD13 LEU 72 HD13 LEU 72 -0.492 0.165 -11.083 507 HD21 LEU 72 HD21 LEU 72 -1.751 2.184 -7.530 508 HD22 LEU 72 HD22 LEU 72 -2.355 0.549 -7.920 509 HD23 LEU 72 HD23 LEU 72 -2.821 1.937 -8.917 510 H LEU 73 H LEU 73 2.405 -1.377 -7.124 511 HA LEU 73 HA LEU 73 4.692 0.240 -6.391 512 HB2 LEU 73 HB2 LEU 73 3.905 -2.624 -5.738 513 HB3 LEU 73 HB3 LEU 73 5.273 -1.805 -5.024 514 HG LEU 73 HG LEU 73 2.391 -0.805 -4.764 515 HD11 LEU 73 HD11 LEU 73 4.058 -2.381 -2.759 516 HD12 LEU 73 HD12 LEU 73 2.672 -3.014 -3.676 517 HD13 LEU 73 HD13 LEU 73 2.423 -1.729 -2.499 518 HD21 LEU 73 HD21 LEU 73 4.128 0.945 -4.395 519 HD22 LEU 73 HD22 LEU 73 4.786 -0.073 -3.093 520 HD23 LEU 73 HD23 LEU 73 3.153 0.582 -2.971 521 H ALA 74 H ALA 74 4.321 -2.592 -8.491 522 HA ALA 74 HA ALA 74 7.167 -2.795 -9.047 523 HB1 ALA 74 HB1 ALA 74 6.493 -4.562 -10.620 524 HB2 ALA 74 HB2 ALA 74 5.677 -4.769 -9.063 525 HB3 ALA 74 HB3 ALA 74 4.799 -4.081 -10.461 526 H GLY 75 H GLY 75 5.007 -0.460 -10.042 527 HA2 GLY 75 HA2 GLY 75 5.267 1.242 -11.585 528 HA3 GLY 75 HA3 GLY 75 6.715 0.461 -12.217 529 H ARG 76 H ARG 76 3.797 -1.432 -12.111 530 HA ARG 76 HA ARG 76 3.439 -1.271 -15.077 531 HB2 ARG 76 HB2 ARG 76 2.661 -3.464 -13.097 532 HB3 ARG 76 HB3 ARG 76 2.308 -3.487 -14.818 533 HG2 ARG 76 HG2 ARG 76 5.082 -3.574 -13.564 534 HG3 ARG 76 HG3 ARG 76 4.201 -4.913 -14.320 535 HD2 ARG 76 HD2 ARG 76 4.163 -3.534 -16.463 536 HD3 ARG 76 HD3 ARG 76 5.306 -2.424 -15.668 537 HE ARG 76 HE ARG 76 6.009 -5.326 -15.743 538 HH11 ARG 76 HH11 ARG 76 6.674 -2.188 -17.212 539 HH12 ARG 76 HH12 ARG 76 8.155 -2.811 -17.928 540 HH21 ARG 76 HH21 ARG 76 7.743 -5.982 -16.685 541 HH22 ARG 76 HH22 ARG 76 8.744 -4.900 -17.676 542 H THR 77 H THR 77 1.319 -1.340 -15.932 543 HA THR 77 HA THR 77 -0.764 -0.052 -14.293 544 HB THR 77 HB THR 77 -2.093 -0.142 -16.474 545 HG1 THR 77 HG1 THR 77 -0.851 -0.457 -18.324 546 HG21 THR 77 HG21 THR 77 0.563 1.373 -16.507 547 HG22 THR 77 HG22 THR 77 -0.929 1.908 -15.690 548 HG23 THR 77 HG23 THR 77 -0.891 1.762 -17.453 549 HA PRO 78 HA PRO 78 -2.819 -3.951 -13.557 550 HB2 PRO 78 HB2 PRO 78 -5.281 -3.151 -12.761 551 HB3 PRO 78 HB3 PRO 78 -3.818 -2.820 -11.792 552 HG2 PRO 78 HG2 PRO 78 -5.201 -0.942 -13.731 553 HG3 PRO 78 HG3 PRO 78 -4.679 -0.618 -12.047 554 HD2 PRO 78 HD2 PRO 78 -3.159 0.072 -14.213 555 HD3 PRO 78 HD3 PRO 78 -2.427 -0.470 -12.678 556 H ALA 79 H ALA 79 -4.736 -5.233 -14.267 557 HA ALA 79 HA ALA 79 -5.909 -4.469 -16.892 558 HB1 ALA 79 HB1 ALA 79 -4.451 -7.076 -16.293 559 HB2 ALA 79 HB2 ALA 79 -5.326 -6.700 -17.789 560 HB3 ALA 79 HB3 ALA 79 -3.877 -5.782 -17.367 561 H ALA 80 H ALA 80 -7.737 -5.777 -17.514 562 HA ALA 80 HA ALA 80 -9.181 -7.236 -15.370 563 HB1 ALA 80 HB1 ALA 80 -9.869 -4.855 -15.222 564 HB2 ALA 80 HB2 ALA 80 -10.317 -4.870 -16.938 565 HB3 ALA 80 HB3 ALA 80 -11.203 -5.879 -15.770 566 H ALA 81 H ALA 81 -11.147 -8.301 -16.192 567 HA ALA 81 HA ALA 81 -11.945 -10.048 -17.376 568 HB1 ALA 81 HB1 ALA 81 -11.732 -8.038 -19.640 569 HB2 ALA 81 HB2 ALA 81 -12.810 -9.444 -19.574 570 HB3 ALA 81 HB3 ALA 81 -13.020 -8.123 -18.415 571 HA PRO 82 HA PRO 82 -7.829 -11.353 -19.156 572 HB2 PRO 82 HB2 PRO 82 -6.857 -13.036 -17.261 573 HB3 PRO 82 HB3 PRO 82 -6.870 -11.262 -17.014 574 HG2 PRO 82 HG2 PRO 82 -8.961 -13.273 -16.081 575 HG3 PRO 82 HG3 PRO 82 -8.084 -12.078 -15.083 576 HD2 PRO 82 HD2 PRO 82 -10.545 -11.539 -16.120 577 HD3 PRO 82 HD3 PRO 82 -9.286 -10.276 -15.989 578 H ARG 83 H ARG 83 -10.647 -12.569 -19.375 579 HA ARG 83 HA ARG 83 -9.938 -15.217 -20.484 580 HB2 ARG 83 HB2 ARG 83 -11.646 -16.396 -19.196 581 HB3 ARG 83 HB3 ARG 83 -10.429 -15.689 -18.134 582 HG2 ARG 83 HG2 ARG 83 -12.017 -13.813 -17.594 583 HG3 ARG 83 HG3 ARG 83 -13.219 -14.549 -18.663 584 HD2 ARG 83 HD2 ARG 83 -13.758 -15.164 -16.388 585 HD3 ARG 83 HD3 ARG 83 -13.229 -16.595 -17.256 586 HE ARG 83 HE ARG 83 -11.360 -16.767 -15.894 587 HH11 ARG 83 HH11 ARG 83 -12.807 -13.636 -15.228 588 HH12 ARG 83 HH12 ARG 83 -11.811 -13.384 -13.823 589 HH21 ARG 83 HH21 ARG 83 -10.140 -16.377 -14.079 590 HH22 ARG 83 HH22 ARG 83 -10.341 -14.884 -13.207 591 HA PRO 84 HA PRO 84 -13.000 -14.085 -23.510 592 HB2 PRO 84 HB2 PRO 84 -13.828 -16.506 -24.487 593 HB3 PRO 84 HB3 PRO 84 -12.209 -15.823 -24.800 594 HG2 PRO 84 HG2 PRO 84 -12.989 -17.852 -22.672 595 HG3 PRO 84 HG3 PRO 84 -11.619 -17.921 -23.832 596 HD2 PRO 84 HD2 PRO 84 -11.278 -17.055 -21.287 597 HD3 PRO 84 HD3 PRO 84 -10.396 -16.295 -22.631 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 22.085 0.688 -19.387 2 H2 GLY 1 H2 GLY 1 22.598 -0.802 -19.840 3 H3 GLY 1 H3 GLY 1 23.466 0.058 -18.756 4 HA2 GLY 1 HA2 GLY 1 21.692 -0.086 -17.131 5 HA3 GLY 1 HA3 GLY 1 20.750 -0.992 -18.332 6 HA PRO 2 HA PRO 2 23.292 -3.892 -15.629 7 HB2 PRO 2 HB2 PRO 2 21.280 -5.248 -14.366 8 HB3 PRO 2 HB3 PRO 2 21.906 -3.670 -13.803 9 HG2 PRO 2 HG2 PRO 2 19.465 -4.189 -15.538 10 HG3 PRO 2 HG3 PRO 2 19.575 -3.177 -14.055 11 HD2 PRO 2 HD2 PRO 2 19.738 -2.090 -16.544 12 HD3 PRO 2 HD3 PRO 2 20.732 -1.466 -15.186 13 H GLY 3 H GLY 3 23.448 -6.212 -15.750 14 HA2 GLY 3 HA2 GLY 3 22.048 -8.115 -17.142 15 HA3 GLY 3 HA3 GLY 3 22.888 -7.269 -18.444 16 H SER 4 H SER 4 25.285 -7.038 -18.235 17 HA SER 4 HA SER 4 26.632 -9.455 -17.284 18 HB2 SER 4 HB2 SER 4 28.672 -8.285 -18.131 19 HB3 SER 4 HB3 SER 4 27.385 -8.424 -19.334 20 HG SER 4 HG SER 4 28.303 -6.320 -19.269 21 H TYR 5 H TYR 5 25.892 -6.377 -15.920 22 HA TYR 5 HA TYR 5 27.220 -7.147 -13.388 23 HB2 TYR 5 HB2 TYR 5 28.682 -5.502 -14.617 24 HB3 TYR 5 HB3 TYR 5 27.364 -4.332 -14.542 25 HD1 TYR 5 HD2 TYR 5 29.540 -6.538 -12.404 26 HD2 TYR 5 HD1 TYR 5 27.206 -2.912 -12.608 27 HE1 TYR 5 HE2 TYR 5 30.359 -5.882 -10.147 28 HE2 TYR 5 HE1 TYR 5 28.036 -2.257 -10.354 29 HH TYR 5 HH TYR 5 30.323 -4.323 -8.493 30 H THR 6 H THR 6 26.276 -5.855 -11.525 31 HA THR 6 HA THR 6 23.378 -6.060 -11.668 32 HB THR 6 HB THR 6 23.509 -5.550 -9.218 33 HG1 THR 6 HG1 THR 6 25.582 -5.530 -8.293 34 HG21 THR 6 HG21 THR 6 25.391 -7.763 -10.156 35 HG22 THR 6 HG22 THR 6 23.623 -7.887 -10.049 36 HG23 THR 6 HG23 THR 6 24.585 -7.653 -8.579 37 H GLY 7 H GLY 7 21.916 -4.486 -10.707 38 HA2 GLY 7 HA2 GLY 7 22.466 -1.711 -10.386 39 HA3 GLY 7 HA3 GLY 7 21.907 -1.988 -12.037 40 H ALA 8 H ALA 8 20.207 -0.459 -11.074 41 HA ALA 8 HA ALA 8 18.261 -1.505 -9.209 42 HB1 ALA 8 HB1 ALA 8 17.006 0.535 -9.781 43 HB2 ALA 8 HB2 ALA 8 18.712 0.902 -9.483 44 HB3 ALA 8 HB3 ALA 8 18.098 0.837 -11.149 45 H GLY 9 H GLY 9 16.045 -1.982 -9.585 46 HA2 GLY 9 HA2 GLY 9 14.815 -2.432 -12.106 47 HA3 GLY 9 HA3 GLY 9 15.529 -3.955 -11.551 48 H GLU 10 H GLU 10 13.012 -4.244 -11.841 49 HA GLU 10 HA GLU 10 11.376 -3.320 -9.622 50 HB2 GLU 10 HB2 GLU 10 9.549 -4.471 -10.672 51 HB3 GLU 10 HB3 GLU 10 10.430 -3.505 -11.853 52 HG2 GLU 10 HG2 GLU 10 11.577 -5.557 -12.664 53 HG3 GLU 10 HG3 GLU 10 10.707 -6.522 -11.479 54 HA PRO 11 HA PRO 11 11.756 -6.997 -6.992 55 HB2 PRO 11 HB2 PRO 11 9.496 -6.784 -5.501 56 HB3 PRO 11 HB3 PRO 11 10.885 -5.668 -5.301 57 HG2 PRO 11 HG2 PRO 11 8.353 -5.243 -6.928 58 HG3 PRO 11 HG3 PRO 11 9.081 -4.124 -5.724 59 HD2 PRO 11 HD2 PRO 11 9.522 -3.867 -8.400 60 HD3 PRO 11 HD3 PRO 11 10.810 -3.523 -7.202 61 H SER 12 H SER 12 10.612 -9.060 -6.635 62 HA SER 12 HA SER 12 8.890 -9.981 -8.852 63 HB2 SER 12 HB2 SER 12 10.558 -11.480 -7.869 64 HB3 SER 12 HB3 SER 12 9.763 -11.350 -6.282 65 HG SER 12 HG SER 12 9.207 -13.228 -7.674 66 H GLN 13 H GLN 13 6.757 -10.752 -8.611 67 HA GLN 13 HA GLN 13 4.928 -9.416 -6.852 68 HB2 GLN 13 HB2 GLN 13 3.302 -11.061 -7.591 69 HB3 GLN 13 HB3 GLN 13 4.206 -10.387 -8.949 70 HG2 GLN 13 HG2 GLN 13 5.605 -12.444 -9.025 71 HG3 GLN 13 HG3 GLN 13 4.683 -13.101 -7.659 72 HE21 GLN 13 HE21 GLN 13 4.373 -12.019 -11.095 73 HE22 GLN 13 HE22 GLN 13 2.963 -13.014 -11.412 74 H ALA 14 H ALA 14 6.975 -12.240 -6.403 75 HA ALA 14 HA ALA 14 5.641 -13.192 -4.008 76 HB1 ALA 14 HB1 ALA 14 6.974 -14.654 -5.497 77 HB2 ALA 14 HB2 ALA 14 8.444 -13.740 -5.060 78 HB3 ALA 14 HB3 ALA 14 7.564 -14.676 -3.823 79 H ASP 15 H ASP 15 8.217 -10.842 -4.635 80 HA ASP 15 HA ASP 15 8.953 -10.513 -1.832 81 HB2 ASP 15 HB2 ASP 15 9.394 -8.532 -4.073 82 HB3 ASP 15 HB3 ASP 15 10.256 -8.620 -2.543 83 H LEU 16 H LEU 16 6.842 -8.930 -4.117 84 HA LEU 16 HA LEU 16 5.918 -6.833 -2.364 85 HB2 LEU 16 HB2 LEU 16 4.634 -8.108 -4.821 86 HB3 LEU 16 HB3 LEU 16 3.999 -6.681 -3.997 87 HG LEU 16 HG LEU 16 6.807 -6.728 -5.160 88 HD11 LEU 16 HD11 LEU 16 5.216 -7.168 -6.981 89 HD12 LEU 16 HD12 LEU 16 5.864 -5.529 -7.102 90 HD13 LEU 16 HD13 LEU 16 4.233 -5.779 -6.473 91 HD21 LEU 16 HD21 LEU 16 4.906 -4.467 -4.429 92 HD22 LEU 16 HD22 LEU 16 6.511 -4.270 -5.157 93 HD23 LEU 16 HD23 LEU 16 6.374 -4.938 -3.529 94 H ASP 17 H ASP 17 4.399 -10.024 -3.167 95 HA ASP 17 HA ASP 17 2.173 -9.711 -1.442 96 HB2 ASP 17 HB2 ASP 17 2.459 -11.472 -3.174 97 HB3 ASP 17 HB3 ASP 17 3.689 -12.256 -2.197 98 H ALA 18 H ALA 18 5.451 -10.925 -0.687 99 HA ALA 18 HA ALA 18 4.900 -11.805 1.999 100 HB1 ALA 18 HB1 ALA 18 7.355 -11.720 2.254 101 HB2 ALA 18 HB2 ALA 18 6.907 -12.479 0.709 102 HB3 ALA 18 HB3 ALA 18 7.498 -10.796 0.750 103 H LEU 19 H LEU 19 5.937 -8.654 0.687 104 HA LEU 19 HA LEU 19 6.230 -7.332 3.234 105 HB2 LEU 19 HB2 LEU 19 7.283 -6.696 1.013 106 HB3 LEU 19 HB3 LEU 19 5.689 -6.226 0.443 107 HG LEU 19 HG LEU 19 5.682 -4.633 2.591 108 HD11 LEU 19 HD11 LEU 19 7.757 -5.544 3.563 109 HD12 LEU 19 HD12 LEU 19 7.959 -3.846 3.132 110 HD13 LEU 19 HD13 LEU 19 8.664 -5.091 2.087 111 HD21 LEU 19 HD21 LEU 19 5.554 -3.839 0.343 112 HD22 LEU 19 HD22 LEU 19 7.289 -4.177 0.057 113 HD23 LEU 19 HD23 LEU 19 6.805 -2.896 1.189 114 H LEU 20 H LEU 20 3.658 -7.351 0.753 115 HA LEU 20 HA LEU 20 1.931 -5.484 1.957 116 HB2 LEU 20 HB2 LEU 20 1.526 -7.706 -0.040 117 HB3 LEU 20 HB3 LEU 20 0.235 -6.598 0.352 118 HG LEU 20 HG LEU 20 2.911 -5.587 -0.693 119 HD11 LEU 20 HD11 LEU 20 1.927 -7.115 -2.384 120 HD12 LEU 20 HD12 LEU 20 1.867 -5.429 -2.908 121 HD13 LEU 20 HD13 LEU 20 0.392 -6.235 -2.297 122 HD21 LEU 20 HD21 LEU 20 1.644 -3.608 -1.282 123 HD22 LEU 20 HD22 LEU 20 1.421 -3.954 0.435 124 HD23 LEU 20 HD23 LEU 20 0.130 -4.364 -0.708 125 H SER 21 H SER 21 1.873 -9.092 2.064 126 HA SER 21 HA SER 21 -0.521 -9.346 3.590 127 HB2 SER 21 HB2 SER 21 0.654 -11.158 2.290 128 HB3 SER 21 HB3 SER 21 1.856 -11.245 3.593 129 HG SER 21 HG SER 21 0.172 -11.827 5.026 130 H ALA 22 H ALA 22 2.794 -8.637 4.623 131 HA ALA 22 HA ALA 22 2.296 -9.119 7.447 132 HB1 ALA 22 HB1 ALA 22 4.526 -8.160 7.733 133 HB2 ALA 22 HB2 ALA 22 4.535 -9.316 6.393 134 HB3 ALA 22 HB3 ALA 22 4.518 -7.573 6.061 135 H VAL 23 H VAL 23 2.030 -6.225 5.314 136 HA VAL 23 HA VAL 23 1.542 -4.505 7.655 137 HB VAL 23 HB VAL 23 2.720 -3.509 5.868 138 HG11 VAL 23 HG11 VAL 23 1.937 -4.767 4.000 139 HG12 VAL 23 HG12 VAL 23 0.343 -3.961 4.075 140 HG13 VAL 23 HG13 VAL 23 1.822 -3.044 3.696 141 HG21 VAL 23 HG21 VAL 23 -0.039 -2.250 5.855 142 HG22 VAL 23 HG22 VAL 23 1.142 -2.074 7.178 143 HG23 VAL 23 HG23 VAL 23 1.529 -1.455 5.556 144 H ARG 24 H ARG 24 -0.523 -6.144 5.263 145 HA ARG 24 HA ARG 24 -2.975 -5.028 6.354 146 HB2 ARG 24 HB2 ARG 24 -2.274 -6.939 4.250 147 HB3 ARG 24 HB3 ARG 24 -3.664 -7.482 5.202 148 HG2 ARG 24 HG2 ARG 24 -4.672 -5.168 4.955 149 HG3 ARG 24 HG3 ARG 24 -3.347 -4.781 3.833 150 HD2 ARG 24 HD2 ARG 24 -4.085 -6.814 2.487 151 HD3 ARG 24 HD3 ARG 24 -5.496 -6.918 3.560 152 HE ARG 24 HE ARG 24 -5.304 -4.249 2.563 153 HH11 ARG 24 HH21 ARG 24 -6.072 -7.393 1.167 154 HH12 ARG 24 HH22 ARG 24 -6.977 -6.653 -0.127 155 HH21 ARG 24 HH11 ARG 24 -6.333 -3.441 0.941 156 HH22 ARG 24 HH12 ARG 24 -7.030 -4.415 -0.325 157 H ASP 25 H ASP 25 -0.894 -7.460 7.582 158 HA ASP 25 HA ASP 25 -2.935 -8.328 9.566 159 HB2 ASP 25 HB2 ASP 25 -1.595 -10.022 8.272 160 HB3 ASP 25 HB3 ASP 25 -0.144 -9.426 9.088 161 H ASN 26 H ASN 26 -1.136 -5.717 9.361 162 HA ASN 26 HA ASN 26 -0.189 -4.217 10.717 163 HB2 ASN 26 HB2 ASN 26 -1.660 -5.655 12.955 164 HB3 ASN 26 HB3 ASN 26 -1.025 -4.022 13.012 165 HD21 ASN 26 HD21 ASN 26 -3.752 -5.942 12.163 166 HD22 ASN 26 HD22 ASN 26 -4.683 -4.632 11.449 167 H ARG 27 H ARG 27 1.321 -6.808 10.277 168 HA ARG 27 HA ARG 27 3.200 -6.848 12.572 169 HB2 ARG 27 HB2 ARG 27 3.464 -8.195 9.859 170 HB3 ARG 27 HB3 ARG 27 4.448 -8.487 11.284 171 HG2 ARG 27 HG2 ARG 27 1.566 -9.298 10.813 172 HG3 ARG 27 HG3 ARG 27 2.973 -10.318 10.987 173 HD2 ARG 27 HD2 ARG 27 2.141 -10.601 13.077 174 HD3 ARG 27 HD3 ARG 27 3.120 -9.166 13.403 175 HE ARG 27 HE ARG 27 0.351 -8.642 12.497 176 HH11 ARG 27 HH11 ARG 27 2.225 -9.120 15.433 177 HH12 ARG 27 HH12 ARG 27 0.994 -8.368 16.410 178 HH21 ARG 27 HH21 ARG 27 -1.120 -7.806 13.728 179 HH22 ARG 27 HH22 ARG 27 -0.896 -7.639 15.465 180 H LEU 28 H LEU 28 2.855 -5.336 9.448 181 HA LEU 28 HA LEU 28 5.450 -3.896 9.773 182 HB2 LEU 28 HB2 LEU 28 4.953 -5.805 7.924 183 HB3 LEU 28 HB3 LEU 28 4.214 -4.487 7.081 184 HG LEU 28 HG LEU 28 6.408 -4.894 6.252 185 HD11 LEU 28 HD11 LEU 28 6.761 -2.395 7.881 186 HD12 LEU 28 HD12 LEU 28 5.687 -2.488 6.462 187 HD13 LEU 28 HD13 LEU 28 7.429 -2.796 6.292 188 HD21 LEU 28 HD21 LEU 28 7.402 -5.900 8.327 189 HD22 LEU 28 HD22 LEU 28 7.529 -4.265 9.024 190 HD23 LEU 28 HD23 LEU 28 8.450 -4.681 7.577 191 H SER 29 H SER 29 5.408 -1.700 8.787 192 HA SER 29 HA SER 29 2.736 -0.353 9.001 193 HB2 SER 29 HB2 SER 29 5.469 0.725 9.750 194 HB3 SER 29 HB3 SER 29 3.935 1.601 9.844 195 HG SER 29 HG SER 29 4.530 0.696 11.864 196 H ILE 30 H ILE 30 2.442 1.596 7.753 197 HA ILE 30 HA ILE 30 2.885 1.385 4.992 198 HB ILE 30 HB ILE 30 2.505 3.947 6.619 199 HG12 ILE 30 HG12 ILE 30 0.719 2.385 7.205 200 HG13 ILE 30 HG13 ILE 30 0.139 3.779 6.310 201 HG21 ILE 30 HG21 ILE 30 1.383 4.773 4.520 202 HG22 ILE 30 HG22 ILE 30 3.130 4.547 4.394 203 HG23 ILE 30 HG23 ILE 30 2.037 3.354 3.676 204 HD11 ILE 30 HD11 ILE 30 0.558 0.990 5.158 205 HD12 ILE 30 HD12 ILE 30 -0.993 1.754 5.564 206 HD13 ILE 30 HD13 ILE 30 -0.014 2.415 4.257 207 H GLU 31 H GLU 31 4.714 3.484 7.281 208 HA GLU 31 HA GLU 31 6.505 4.364 5.200 209 HB2 GLU 31 HB2 GLU 31 7.663 5.587 6.946 210 HB3 GLU 31 HB3 GLU 31 5.919 5.789 7.092 211 HG2 GLU 31 HG2 GLU 31 5.929 4.040 8.930 212 HG3 GLU 31 HG3 GLU 31 7.682 3.982 8.809 213 H GLN 32 H GLN 32 6.666 1.706 7.498 214 HA GLN 32 HA GLN 32 9.501 1.145 7.120 215 HB2 GLN 32 HB2 GLN 32 7.157 -0.315 8.371 216 HB3 GLN 32 HB3 GLN 32 8.786 -0.993 8.330 217 HG2 GLN 32 HG2 GLN 32 8.024 1.650 9.665 218 HG3 GLN 32 HG3 GLN 32 8.199 0.108 10.486 219 HE21 GLN 32 HE21 GLN 32 10.404 -0.957 10.405 220 HE22 GLN 32 HE22 GLN 32 11.804 0.098 10.310 221 H ALA 33 H ALA 33 6.470 0.176 5.520 222 HA ALA 33 HA ALA 33 7.754 -1.863 3.902 223 HB1 ALA 33 HB1 ALA 33 5.561 -1.625 2.590 224 HB2 ALA 33 HB2 ALA 33 5.407 -2.072 4.295 225 HB3 ALA 33 HB3 ALA 33 5.077 -0.405 3.775 226 H VAL 34 H VAL 34 7.092 1.624 3.453 227 HA VAL 34 HA VAL 34 7.866 1.717 0.665 228 HB VAL 34 HB VAL 34 7.607 3.842 2.817 229 HG11 VAL 34 HG11 VAL 34 8.145 4.207 -0.167 230 HG12 VAL 34 HG12 VAL 34 7.600 5.498 0.936 231 HG13 VAL 34 HG13 VAL 34 9.179 4.748 1.178 232 HG21 VAL 34 HG21 VAL 34 5.562 4.432 1.683 233 HG22 VAL 34 HG22 VAL 34 5.864 3.251 0.389 234 HG23 VAL 34 HG23 VAL 34 5.494 2.693 2.016 235 H THR 35 H THR 35 9.666 2.306 3.735 236 HA THR 35 HA THR 35 11.995 3.159 2.389 237 HB THR 35 HB THR 35 11.409 3.573 4.796 238 HG1 THR 35 HG1 THR 35 13.403 4.174 4.098 239 HG21 THR 35 HG21 THR 35 12.205 2.068 6.500 240 HG22 THR 35 HG22 THR 35 12.801 0.912 5.289 241 HG23 THR 35 HG23 THR 35 11.058 1.194 5.476 242 H LEU 36 H LEU 36 10.896 -0.086 3.020 243 HA LEU 36 HA LEU 36 13.465 -1.338 2.291 244 HB2 LEU 36 HB2 LEU 36 10.720 -2.520 2.865 245 HB3 LEU 36 HB3 LEU 36 12.181 -3.451 2.582 246 HG LEU 36 HG LEU 36 11.718 -1.555 4.928 247 HD11 LEU 36 HD11 LEU 36 10.408 -3.629 5.042 248 HD12 LEU 36 HD12 LEU 36 11.682 -3.603 6.266 249 HD13 LEU 36 HD13 LEU 36 11.891 -4.585 4.795 250 HD21 LEU 36 HD21 LEU 36 14.092 -1.567 4.424 251 HD22 LEU 36 HD22 LEU 36 14.090 -3.345 4.287 252 HD23 LEU 36 HD23 LEU 36 13.800 -2.545 5.856 253 H LEU 37 H LEU 37 10.324 -0.649 0.768 254 HA LEU 37 HA LEU 37 10.819 -2.262 -1.580 255 HB2 LEU 37 HB2 LEU 37 8.638 -1.896 -0.626 256 HB3 LEU 37 HB3 LEU 37 8.733 -0.162 -0.880 257 HG LEU 37 HG LEU 37 9.007 -1.949 -3.300 258 HD11 LEU 37 HD11 LEU 37 6.569 -2.077 -3.524 259 HD12 LEU 37 HD12 LEU 37 6.372 -1.361 -1.900 260 HD13 LEU 37 HD13 LEU 37 7.120 -2.956 -2.104 261 HD21 LEU 37 HD21 LEU 37 7.525 0.682 -2.780 262 HD22 LEU 37 HD22 LEU 37 7.692 -0.136 -4.356 263 HD23 LEU 37 HD23 LEU 37 9.112 0.547 -3.568 264 H THR 38 H THR 38 11.279 1.188 -0.849 265 HA THR 38 HA THR 38 11.612 2.077 -3.529 266 HB THR 38 HB THR 38 12.761 3.296 -0.989 267 HG1 THR 38 HG1 THR 38 10.575 3.185 -0.868 268 HG21 THR 38 HG21 THR 38 12.216 4.532 -3.734 269 HG22 THR 38 HG22 THR 38 13.814 4.304 -2.994 270 HG23 THR 38 HG23 THR 38 12.663 5.426 -2.257 271 HA PRO 39 HA PRO 39 15.674 0.261 -4.235 272 HB2 PRO 39 HB2 PRO 39 16.192 1.131 -6.771 273 HB3 PRO 39 HB3 PRO 39 14.950 -0.093 -6.400 274 HG2 PRO 39 HG2 PRO 39 14.535 2.891 -6.793 275 HG3 PRO 39 HG3 PRO 39 13.638 1.539 -7.563 276 HD2 PRO 39 HD2 PRO 39 12.706 2.833 -5.346 277 HD3 PRO 39 HD3 PRO 39 12.463 1.074 -5.569 278 H ARG 40 H ARG 40 17.792 0.844 -3.957 279 HA ARG 40 HA ARG 40 18.333 3.594 -3.067 280 HB2 ARG 40 HB2 ARG 40 20.046 1.073 -3.080 281 HB3 ARG 40 HB3 ARG 40 20.542 2.603 -2.374 282 HG2 ARG 40 HG2 ARG 40 18.612 2.559 -0.823 283 HG3 ARG 40 HG3 ARG 40 18.098 0.993 -1.494 284 HD2 ARG 40 HD2 ARG 40 20.260 0.001 -0.809 285 HD3 ARG 40 HD3 ARG 40 20.768 1.561 -0.136 286 HE ARG 40 HE ARG 40 18.281 0.884 1.037 287 HH11 ARG 40 HH11 ARG 40 21.549 -0.364 1.142 288 HH12 ARG 40 HH12 ARG 40 21.336 -1.043 2.735 289 HH21 ARG 40 HH21 ARG 40 18.076 0.013 3.065 290 HH22 ARG 40 HH22 ARG 40 19.424 -0.812 3.803 291 H ARG 41 H ARG 41 18.924 1.880 -5.992 292 HA ARG 41 HA ARG 41 20.933 3.906 -6.931 293 HB2 ARG 41 HB2 ARG 41 20.500 0.978 -7.562 294 HB3 ARG 41 HB3 ARG 41 21.168 2.027 -8.800 295 HG2 ARG 41 HG2 ARG 41 23.006 1.046 -7.688 296 HG3 ARG 41 HG3 ARG 41 22.980 2.749 -7.261 297 HD2 ARG 41 HD2 ARG 41 21.893 2.104 -5.049 298 HD3 ARG 41 HD3 ARG 41 22.049 0.414 -5.532 299 HE ARG 41 HE ARG 41 24.358 0.500 -5.160 300 HH11 ARG 41 HH11 ARG 41 23.100 3.760 -4.779 301 HH12 ARG 41 HH12 ARG 41 24.581 4.327 -4.055 302 HH21 ARG 41 HH21 ARG 41 26.207 1.315 -4.260 303 HH22 ARG 41 HH22 ARG 41 26.291 2.985 -3.782 304 H GLY 42 H GLY 42 17.655 3.471 -7.163 305 HA2 GLY 42 HA2 GLY 42 17.214 4.066 -9.967 306 HA3 GLY 42 HA3 GLY 42 16.041 4.210 -8.660 307 H GLY 43 H GLY 43 17.190 6.002 -11.000 308 HA2 GLY 43 HA2 GLY 43 18.006 8.476 -9.668 309 HA3 GLY 43 HA3 GLY 43 17.689 8.245 -11.380 310 H GLY 44 H GLY 44 16.868 10.505 -9.858 311 HA2 GLY 44 HA2 GLY 44 13.963 10.386 -9.415 312 HA3 GLY 44 HA3 GLY 44 14.984 11.816 -9.364 313 H SER 45 H SER 45 12.591 10.263 -11.126 314 HA SER 45 HA SER 45 12.786 12.101 -13.405 315 HB2 SER 45 HB2 SER 45 12.759 10.330 -15.097 316 HB3 SER 45 HB3 SER 45 14.229 10.249 -14.119 317 HG SER 45 HG SER 45 13.291 8.182 -14.420 318 H GLY 46 H GLY 46 10.941 11.799 -14.921 319 HA2 GLY 46 HA2 GLY 46 8.751 11.366 -15.505 320 HA3 GLY 46 HA3 GLY 46 8.555 10.337 -14.092 321 H GLY 47 H GLY 47 6.448 11.692 -14.676 322 HA2 GLY 47 HA2 GLY 47 6.304 14.406 -13.606 323 HA3 GLY 47 HA3 GLY 47 5.004 13.461 -14.327 324 H GLY 48 H GLY 48 6.479 11.688 -11.820 325 HA2 GLY 48 HA2 GLY 48 5.900 11.262 -9.590 326 HA3 GLY 48 HA3 GLY 48 4.930 12.726 -9.567 327 H SER 49 H SER 49 3.312 11.606 -8.448 328 HA SER 49 HA SER 49 1.504 10.345 -8.001 329 HB2 SER 49 HB2 SER 49 0.670 11.313 -10.189 330 HB3 SER 49 HB3 SER 49 1.096 9.760 -10.930 331 HG SER 49 HG SER 49 -1.109 9.888 -10.197 332 H MET 50 H MET 50 0.491 8.089 -8.279 333 HA MET 50 HA MET 50 0.773 6.013 -7.395 334 HB2 MET 50 HB2 MET 50 2.555 5.716 -9.835 335 HB3 MET 50 HB3 MET 50 1.977 4.381 -8.835 336 HG2 MET 50 HG2 MET 50 -0.373 5.093 -9.295 337 HG3 MET 50 HG3 MET 50 0.254 6.306 -10.426 338 HE1 MET 50 HE1 MET 50 -1.446 3.475 -12.650 339 HE2 MET 50 HE2 MET 50 -1.941 3.988 -11.024 340 HE3 MET 50 HE3 MET 50 -1.461 5.204 -12.233 341 H ASP 51 H ASP 51 2.146 7.724 -5.882 342 HA ASP 51 HA ASP 51 4.842 6.779 -5.283 343 HB2 ASP 51 HB2 ASP 51 3.956 9.073 -4.795 344 HB3 ASP 51 HB3 ASP 51 2.920 8.338 -3.547 345 H ALA 52 H ALA 52 5.485 5.463 -3.612 346 HA ALA 52 HA ALA 52 3.856 3.123 -3.233 347 HB1 ALA 52 HB1 ALA 52 6.449 3.972 -1.871 348 HB2 ALA 52 HB2 ALA 52 5.747 2.333 -1.865 349 HB3 ALA 52 HB3 ALA 52 6.315 3.053 -3.389 350 H LYS 53 H LYS 53 4.560 5.872 -1.074 351 HA LYS 53 HA LYS 53 3.367 4.864 1.307 352 HB2 LYS 53 HB2 LYS 53 4.832 6.940 0.923 353 HB3 LYS 53 HB3 LYS 53 3.366 7.785 0.414 354 HG2 LYS 53 HG2 LYS 53 3.662 6.367 3.085 355 HG3 LYS 53 HG3 LYS 53 4.156 8.037 2.841 356 HD2 LYS 53 HD2 LYS 53 1.891 8.751 2.397 357 HD3 LYS 53 HD3 LYS 53 1.312 7.089 2.387 358 HE2 LYS 53 HE2 LYS 53 2.202 6.883 4.781 359 HE3 LYS 53 HE3 LYS 53 2.338 8.648 4.770 360 HZ1 LYS 53 HZ1 LYS 53 -0.157 7.104 4.231 361 HZ2 LYS 53 HZ2 LYS 53 -0.049 8.733 4.259 362 HZ3 LYS 53 HZ3 LYS 53 0.178 7.885 5.640 363 H GLU 54 H GLU 54 1.888 6.847 -1.243 364 HA GLU 54 HA GLU 54 -0.776 6.828 -0.188 365 HB2 GLU 54 HB2 GLU 54 0.181 8.372 -1.966 366 HB3 GLU 54 HB3 GLU 54 0.074 7.032 -3.106 367 HG2 GLU 54 HG2 GLU 54 -1.818 8.408 -3.477 368 HG3 GLU 54 HG3 GLU 54 -2.430 6.976 -2.669 369 H ILE 55 H ILE 55 0.821 4.582 -2.495 370 HA ILE 55 HA ILE 55 -1.471 2.964 -3.030 371 HB ILE 55 HB ILE 55 1.497 2.339 -3.097 372 HG12 ILE 55 HG12 ILE 55 -0.375 2.729 -5.468 373 HG13 ILE 55 HG13 ILE 55 0.399 4.113 -4.718 374 HG21 ILE 55 HG21 ILE 55 0.644 0.427 -4.671 375 HG22 ILE 55 HG22 ILE 55 0.499 0.193 -2.926 376 HG23 ILE 55 HG23 ILE 55 -0.913 0.674 -3.900 377 HD11 ILE 55 HD11 ILE 55 2.625 3.216 -5.141 378 HD12 ILE 55 HD12 ILE 55 1.939 1.763 -5.881 379 HD13 ILE 55 HD13 ILE 55 1.690 3.352 -6.631 380 H LEU 56 H LEU 56 1.142 2.511 -0.565 381 HA LEU 56 HA LEU 56 -0.098 0.228 0.655 382 HB2 LEU 56 HB2 LEU 56 2.040 2.208 1.446 383 HB3 LEU 56 HB3 LEU 56 1.296 1.256 2.713 384 HG LEU 56 HG LEU 56 3.254 0.156 2.204 385 HD11 LEU 56 HD11 LEU 56 1.205 -1.463 0.656 386 HD12 LEU 56 HD12 LEU 56 1.179 -1.272 2.426 387 HD13 LEU 56 HD13 LEU 56 2.578 -2.034 1.627 388 HD21 LEU 56 HD21 LEU 56 3.879 -0.696 -0.033 389 HD22 LEU 56 HD22 LEU 56 3.832 1.068 0.073 390 HD23 LEU 56 HD23 LEU 56 2.494 0.205 -0.728 391 H THR 57 H THR 57 -0.523 3.725 1.277 392 HA THR 57 HA THR 57 -2.139 3.459 3.620 393 HB THR 57 HB THR 57 -2.151 5.660 1.517 394 HG1 THR 57 HG1 THR 57 -0.181 5.352 2.537 395 HG21 THR 57 HG21 THR 57 -4.152 5.847 2.928 396 HG22 THR 57 HG22 THR 57 -2.977 7.079 3.391 397 HG23 THR 57 HG23 THR 57 -3.170 5.621 4.398 398 H ARG 58 H ARG 58 -3.139 3.643 0.143 399 HA ARG 58 HA ARG 58 -5.968 3.238 0.718 400 HB2 ARG 58 HB2 ARG 58 -4.336 2.709 -1.800 401 HB3 ARG 58 HB3 ARG 58 -6.095 2.527 -1.652 402 HG2 ARG 58 HG2 ARG 58 -6.363 4.910 -1.152 403 HG3 ARG 58 HG3 ARG 58 -4.610 5.139 -1.303 404 HD2 ARG 58 HD2 ARG 58 -5.670 5.766 -3.399 405 HD3 ARG 58 HD3 ARG 58 -4.715 4.291 -3.644 406 HE ARG 58 HE ARG 58 -7.352 3.472 -3.045 407 HH11 ARG 58 HH11 ARG 58 -5.845 5.251 -5.655 408 HH12 ARG 58 HH12 ARG 58 -6.963 4.627 -6.840 409 HH21 ARG 58 HH21 ARG 58 -8.665 2.655 -4.563 410 HH22 ARG 58 HH22 ARG 58 -8.565 3.210 -6.215 411 H PHE 59 H PHE 59 -3.355 0.911 -0.150 412 HA PHE 59 HA PHE 59 -4.974 -1.397 -0.267 413 HB2 PHE 59 HB2 PHE 59 -2.753 -1.357 -1.171 414 HB3 PHE 59 HB3 PHE 59 -2.051 -0.934 0.384 415 HD1 PHE 59 HD1 PHE 59 -3.830 -3.701 -1.422 416 HD2 PHE 59 HD2 PHE 59 -1.358 -2.568 1.938 417 HE1 PHE 59 HE1 PHE 59 -3.526 -6.096 -0.821 418 HE2 PHE 59 HE2 PHE 59 -1.050 -4.953 2.515 419 HZ PHE 59 HZ PHE 59 -2.142 -6.718 1.158 420 H LYS 60 H LYS 60 -3.211 -0.017 2.554 421 HA LYS 60 HA LYS 60 -4.072 -2.102 4.301 422 HB2 LYS 60 HB2 LYS 60 -2.065 -0.574 4.599 423 HB3 LYS 60 HB3 LYS 60 -3.200 0.693 5.131 424 HG2 LYS 60 HG2 LYS 60 -3.970 -0.834 6.955 425 HG3 LYS 60 HG3 LYS 60 -2.810 -2.057 6.408 426 HD2 LYS 60 HD2 LYS 60 -0.972 -0.355 6.845 427 HD3 LYS 60 HD3 LYS 60 -2.176 0.719 7.549 428 HE2 LYS 60 HE2 LYS 60 -1.578 -2.123 8.482 429 HE3 LYS 60 HE3 LYS 60 -0.875 -0.681 9.207 430 HZ1 LYS 60 HZ1 LYS 60 -3.795 -1.205 9.105 431 HZ2 LYS 60 HZ2 LYS 60 -3.063 0.033 9.890 432 HZ3 LYS 60 HZ3 LYS 60 -2.858 -1.511 10.403 433 H ASP 61 H ASP 61 -5.534 1.000 3.495 434 HA ASP 61 HA ASP 61 -7.655 0.866 5.477 435 HB2 ASP 61 HB2 ASP 61 -6.738 2.963 4.520 436 HB3 ASP 61 HB3 ASP 61 -7.400 2.514 2.940 437 H GLY 62 H GLY 62 -7.182 -0.852 2.560 438 HA2 GLY 62 HA2 GLY 62 -8.551 -2.439 1.548 439 HA3 GLY 62 HA3 GLY 62 -9.916 -1.922 2.534 440 H GLY 63 H GLY 63 -8.354 0.679 0.960 441 HA2 GLY 63 HA2 GLY 63 -10.551 1.122 -0.957 442 HA3 GLY 63 HA3 GLY 63 -9.240 2.229 -0.543 443 H LEU 64 H LEU 64 -7.804 -0.712 -1.146 444 HA LEU 64 HA LEU 64 -7.691 -0.596 -4.090 445 HB2 LEU 64 HB2 LEU 64 -5.955 0.976 -3.077 446 HB3 LEU 64 HB3 LEU 64 -5.232 -0.422 -2.303 447 HG LEU 64 HG LEU 64 -4.853 -1.351 -4.658 448 HD11 LEU 64 HD11 LEU 64 -5.571 1.532 -5.354 449 HD12 LEU 64 HD12 LEU 64 -6.497 0.107 -5.861 450 HD13 LEU 64 HD13 LEU 64 -4.851 0.353 -6.463 451 HD21 LEU 64 HD21 LEU 64 -3.096 -0.280 -3.332 452 HD22 LEU 64 HD22 LEU 64 -3.607 1.315 -3.919 453 HD23 LEU 64 HD23 LEU 64 -2.925 0.127 -5.049 454 H ASP 65 H ASP 65 -7.356 -2.648 -4.961 455 HA ASP 65 HA ASP 65 -7.437 -4.940 -3.157 456 HB2 ASP 65 HB2 ASP 65 -8.678 -4.702 -5.370 457 HB3 ASP 65 HB3 ASP 65 -7.120 -4.964 -6.166 458 H ARG 66 H ARG 66 -5.935 -6.813 -3.498 459 HA ARG 66 HA ARG 66 -3.138 -6.067 -3.130 460 HB2 ARG 66 HB2 ARG 66 -4.156 -8.058 -2.070 461 HB3 ARG 66 HB3 ARG 66 -4.422 -8.774 -3.662 462 HG2 ARG 66 HG2 ARG 66 -1.979 -8.868 -4.051 463 HG3 ARG 66 HG3 ARG 66 -1.689 -8.032 -2.516 464 HD2 ARG 66 HD2 ARG 66 -1.261 -10.397 -2.263 465 HD3 ARG 66 HD3 ARG 66 -2.666 -9.960 -1.294 466 HE ARG 66 HE ARG 66 -3.950 -10.801 -3.458 467 HH11 ARG 66 HH11 ARG 66 -1.101 -12.426 -2.094 468 HH12 ARG 66 HH12 ARG 66 -1.683 -13.972 -2.657 469 HH21 ARG 66 HH21 ARG 66 -4.529 -12.794 -4.140 470 HH22 ARG 66 HH22 ARG 66 -3.529 -14.169 -3.788 471 H ALA 67 H ALA 67 -4.946 -7.396 -5.904 472 HA ALA 67 HA ALA 67 -2.676 -7.696 -7.637 473 HB1 ALA 67 HB1 ALA 67 -4.387 -7.810 -9.420 474 HB2 ALA 67 HB2 ALA 67 -4.865 -8.790 -8.015 475 HB3 ALA 67 HB3 ALA 67 -5.630 -7.209 -8.295 476 H ALA 68 H ALA 68 -4.837 -4.923 -7.001 477 HA ALA 68 HA ALA 68 -3.638 -3.219 -9.022 478 HB1 ALA 68 HB1 ALA 68 -5.014 -1.469 -7.966 479 HB2 ALA 68 HB2 ALA 68 -5.968 -2.944 -8.263 480 HB3 ALA 68 HB3 ALA 68 -5.397 -2.568 -6.622 481 H ALA 69 H ALA 69 -3.163 -3.580 -5.456 482 HA ALA 69 HA ALA 69 -1.246 -1.498 -5.165 483 HB1 ALA 69 HB1 ALA 69 -2.430 -2.619 -3.300 484 HB2 ALA 69 HB2 ALA 69 -1.518 -4.118 -3.604 485 HB3 ALA 69 HB3 ALA 69 -0.674 -2.649 -3.068 486 H GLN 70 H GLN 70 -0.721 -5.020 -5.809 487 HA GLN 70 HA GLN 70 2.117 -4.886 -6.059 488 HB2 GLN 70 HB2 GLN 70 0.049 -6.732 -7.323 489 HB3 GLN 70 HB3 GLN 70 1.801 -6.950 -7.507 490 HG2 GLN 70 HG2 GLN 70 2.086 -7.171 -5.096 491 HG3 GLN 70 HG3 GLN 70 0.376 -6.892 -4.822 492 HE21 GLN 70 HE21 GLN 70 1.068 -9.110 -3.676 493 HE22 GLN 70 HE22 GLN 70 0.724 -10.534 -4.643 494 H ALA 71 H ALA 71 -0.435 -4.420 -8.579 495 HA ALA 71 HA ALA 71 1.301 -4.056 -10.787 496 HB1 ALA 71 HB1 ALA 71 -1.132 -4.464 -10.958 497 HB2 ALA 71 HB2 ALA 71 -1.456 -2.865 -10.244 498 HB3 ALA 71 HB3 ALA 71 -0.661 -2.991 -11.813 499 H LEU 72 H LEU 72 -0.238 -1.492 -8.753 500 HA LEU 72 HA LEU 72 1.069 0.693 -10.007 501 HB2 LEU 72 HB2 LEU 72 -0.349 0.227 -7.371 502 HB3 LEU 72 HB3 LEU 72 0.368 1.779 -7.742 503 HG LEU 72 HG LEU 72 -1.141 2.398 -9.258 504 HD11 LEU 72 HD11 LEU 72 -0.999 0.641 -10.923 505 HD12 LEU 72 HD12 LEU 72 -2.678 1.049 -10.576 506 HD13 LEU 72 HD13 LEU 72 -1.976 -0.444 -9.904 507 HD21 LEU 72 HD21 LEU 72 -2.278 2.007 -7.084 508 HD22 LEU 72 HD22 LEU 72 -2.772 0.389 -7.670 509 HD23 LEU 72 HD23 LEU 72 -3.390 1.856 -8.458 510 H LEU 73 H LEU 73 2.135 -1.261 -7.180 511 HA LEU 73 HA LEU 73 4.484 0.359 -6.650 512 HB2 LEU 73 HB2 LEU 73 3.733 -2.518 -5.991 513 HB3 LEU 73 HB3 LEU 73 5.223 -1.774 -5.445 514 HG LEU 73 HG LEU 73 2.463 -0.676 -4.794 515 HD11 LEU 73 HD11 LEU 73 2.745 -1.631 -2.555 516 HD12 LEU 73 HD12 LEU 73 4.270 -2.380 -3.050 517 HD13 LEU 73 HD13 LEU 73 2.747 -2.905 -3.790 518 HD21 LEU 73 HD21 LEU 73 3.617 0.559 -2.992 519 HD22 LEU 73 HD22 LEU 73 4.163 1.047 -4.599 520 HD23 LEU 73 HD23 LEU 73 5.178 -0.016 -3.609 521 H ALA 74 H ALA 74 3.905 -2.430 -8.781 522 HA ALA 74 HA ALA 74 6.680 -2.542 -9.674 523 HB1 ALA 74 HB1 ALA 74 5.259 -4.560 -9.480 524 HB2 ALA 74 HB2 ALA 74 4.186 -3.917 -10.745 525 HB3 ALA 74 HB3 ALA 74 5.871 -4.332 -11.129 526 H GLY 75 H GLY 75 4.310 -0.293 -10.391 527 HA2 GLY 75 HA2 GLY 75 4.366 1.454 -11.889 528 HA3 GLY 75 HA3 GLY 75 5.790 0.766 -12.673 529 H ARG 76 H ARG 76 2.802 -1.077 -12.343 530 HA ARG 76 HA ARG 76 2.104 -0.726 -15.241 531 HB2 ARG 76 HB2 ARG 76 2.058 -3.306 -13.607 532 HB3 ARG 76 HB3 ARG 76 1.445 -3.127 -15.249 533 HG2 ARG 76 HG2 ARG 76 3.740 -2.436 -15.998 534 HG3 ARG 76 HG3 ARG 76 4.337 -2.803 -14.363 535 HD2 ARG 76 HD2 ARG 76 3.482 -5.160 -14.647 536 HD3 ARG 76 HD3 ARG 76 3.000 -4.746 -16.292 537 HE ARG 76 HE ARG 76 5.225 -4.754 -16.992 538 HH11 ARG 76 HH11 ARG 76 5.192 -5.188 -13.500 539 HH12 ARG 76 HH12 ARG 76 6.895 -5.618 -13.466 540 HH21 ARG 76 HH21 ARG 76 7.403 -5.195 -16.818 541 HH22 ARG 76 HH22 ARG 76 8.109 -5.480 -15.241 542 H THR 77 H THR 77 -0.172 -1.395 -15.737 543 HA THR 77 HA THR 77 -2.025 -0.196 -13.838 544 HB THR 77 HB THR 77 -3.743 -0.722 -15.616 545 HG1 THR 77 HG1 THR 77 -2.937 -1.306 -17.630 546 HG21 THR 77 HG21 THR 77 -1.301 0.896 -16.477 547 HG22 THR 77 HG22 THR 77 -2.639 1.472 -15.460 548 HG23 THR 77 HG23 THR 77 -2.945 1.025 -17.148 549 HA PRO 78 HA PRO 78 -3.401 -3.703 -11.654 550 HB2 PRO 78 HB2 PRO 78 -6.233 -2.797 -12.216 551 HB3 PRO 78 HB3 PRO 78 -5.511 -3.333 -10.664 552 HG2 PRO 78 HG2 PRO 78 -5.786 -0.692 -11.155 553 HG3 PRO 78 HG3 PRO 78 -4.237 -1.296 -10.482 554 HD2 PRO 78 HD2 PRO 78 -4.898 -0.624 -13.365 555 HD3 PRO 78 HD3 PRO 78 -3.463 -0.189 -12.399 556 H ALA 79 H ALA 79 -4.002 -5.819 -11.839 557 HA ALA 79 HA ALA 79 -4.658 -6.876 -14.496 558 HB1 ALA 79 HB1 ALA 79 -2.835 -7.841 -13.162 559 HB2 ALA 79 HB2 ALA 79 -3.992 -8.273 -11.876 560 HB3 ALA 79 HB3 ALA 79 -4.092 -9.035 -13.477 561 H ALA 80 H ALA 80 -6.228 -8.655 -14.730 562 HA ALA 80 HA ALA 80 -8.560 -8.693 -12.922 563 HB1 ALA 80 HB1 ALA 80 -10.117 -8.309 -14.814 564 HB2 ALA 80 HB2 ALA 80 -9.048 -6.905 -14.605 565 HB3 ALA 80 HB3 ALA 80 -8.738 -8.068 -15.921 566 H ALA 81 H ALA 81 -9.980 -10.512 -13.291 567 HA ALA 81 HA ALA 81 -8.617 -12.900 -14.287 568 HB1 ALA 81 HB1 ALA 81 -9.900 -13.003 -12.215 569 HB2 ALA 81 HB2 ALA 81 -11.373 -12.509 -13.061 570 HB3 ALA 81 HB3 ALA 81 -10.619 -14.067 -13.436 571 HA PRO 82 HA PRO 82 -10.624 -12.452 -18.325 572 HB2 PRO 82 HB2 PRO 82 -9.468 -14.497 -19.682 573 HB3 PRO 82 HB3 PRO 82 -8.543 -13.094 -19.093 574 HG2 PRO 82 HG2 PRO 82 -8.870 -15.790 -17.718 575 HG3 PRO 82 HG3 PRO 82 -7.344 -14.927 -18.098 576 HD2 PRO 82 HD2 PRO 82 -8.537 -14.723 -15.661 577 HD3 PRO 82 HD3 PRO 82 -7.699 -13.337 -16.399 578 H ARG 83 H ARG 83 -12.315 -13.439 -16.342 579 HA ARG 83 HA ARG 83 -13.486 -16.015 -17.063 580 HB2 ARG 83 HB2 ARG 83 -15.085 -15.553 -15.277 581 HB3 ARG 83 HB3 ARG 83 -13.433 -15.302 -14.719 582 HG2 ARG 83 HG2 ARG 83 -13.674 -12.939 -14.644 583 HG3 ARG 83 HG3 ARG 83 -15.108 -12.945 -15.690 584 HD2 ARG 83 HD2 ARG 83 -16.419 -14.078 -13.939 585 HD3 ARG 83 HD3 ARG 83 -14.993 -14.096 -12.887 586 HE ARG 83 HE ARG 83 -15.318 -11.860 -12.392 587 HH11 ARG 83 HH11 ARG 83 -17.403 -12.530 -15.205 588 HH12 ARG 83 HH12 ARG 83 -18.231 -11.010 -14.992 589 HH21 ARG 83 HH21 ARG 83 -16.434 -9.949 -12.282 590 HH22 ARG 83 HH22 ARG 83 -17.690 -9.598 -13.425 591 HA PRO 84 HA PRO 84 -16.985 -14.612 -19.636 592 HB2 PRO 84 HB2 PRO 84 -18.661 -16.229 -17.714 593 HB3 PRO 84 HB3 PRO 84 -18.694 -16.224 -19.505 594 HG2 PRO 84 HG2 PRO 84 -17.485 -18.238 -18.188 595 HG3 PRO 84 HG3 PRO 84 -16.683 -17.509 -19.623 596 HD2 PRO 84 HD2 PRO 84 -16.155 -16.946 -16.696 597 HD3 PRO 84 HD3 PRO 84 -14.988 -17.286 -18.005 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 34.593 2.268 -14.928 2 H2 GLY 1 H2 GLY 1 35.525 2.855 -13.717 3 H3 GLY 1 H3 GLY 1 33.925 2.600 -13.471 4 HA2 GLY 1 HA2 GLY 1 35.937 0.504 -13.972 5 HA3 GLY 1 HA3 GLY 1 35.224 0.883 -12.394 6 HA PRO 2 HA PRO 2 32.928 -2.643 -14.351 7 HB2 PRO 2 HB2 PRO 2 32.762 -3.386 -11.440 8 HB3 PRO 2 HB3 PRO 2 33.010 -4.442 -12.861 9 HG2 PRO 2 HG2 PRO 2 35.121 -3.760 -11.309 10 HG3 PRO 2 HG3 PRO 2 35.284 -3.719 -13.106 11 HD2 PRO 2 HD2 PRO 2 34.749 -1.405 -11.211 12 HD3 PRO 2 HD3 PRO 2 35.922 -1.525 -12.565 13 H GLY 3 H GLY 3 30.745 -3.107 -14.436 14 HA2 GLY 3 HA2 GLY 3 28.856 -1.113 -13.322 15 HA3 GLY 3 HA3 GLY 3 28.554 -2.297 -14.596 16 H SER 4 H SER 4 26.556 -2.681 -13.494 17 HA SER 4 HA SER 4 26.760 -4.751 -11.345 18 HB2 SER 4 HB2 SER 4 24.414 -2.909 -11.978 19 HB3 SER 4 HB3 SER 4 24.404 -4.258 -10.821 20 HG SER 4 HG SER 4 24.831 -2.260 -9.775 21 H TYR 5 H TYR 5 25.862 -6.712 -11.761 22 HA TYR 5 HA TYR 5 25.093 -7.221 -14.603 23 HB2 TYR 5 HB2 TYR 5 26.931 -8.810 -12.812 24 HB3 TYR 5 HB3 TYR 5 26.505 -9.193 -14.482 25 HD1 TYR 5 HD2 TYR 5 27.100 -7.517 -16.338 26 HD2 TYR 5 HD1 TYR 5 28.703 -7.264 -12.341 27 HE1 TYR 5 HE2 TYR 5 28.871 -5.971 -17.144 28 HE2 TYR 5 HE1 TYR 5 30.463 -5.693 -13.151 29 HH TYR 5 HH TYR 5 30.689 -4.711 -16.606 30 H THR 6 H THR 6 22.295 -9.178 -13.442 31 HA THR 6 HA THR 6 23.203 -6.912 -15.157 32 HB THR 6 HB THR 6 22.269 -9.604 -16.250 33 HG1 THR 6 HG1 THR 6 24.339 -9.817 -17.010 34 HG21 THR 6 HG21 THR 6 22.947 -8.644 -18.466 35 HG22 THR 6 HG22 THR 6 23.218 -7.080 -17.671 36 HG23 THR 6 HG23 THR 6 21.586 -7.781 -17.752 37 H GLY 7 H GLY 7 21.573 -5.712 -16.011 38 HA2 GLY 7 HA2 GLY 7 19.381 -4.996 -16.437 39 HA3 GLY 7 HA3 GLY 7 18.719 -6.415 -15.634 40 H ALA 8 H ALA 8 17.555 -4.040 -15.161 41 HA ALA 8 HA ALA 8 18.628 -2.613 -12.882 42 HB1 ALA 8 HB1 ALA 8 16.488 -1.381 -12.999 43 HB2 ALA 8 HB2 ALA 8 17.246 -1.522 -14.595 44 HB3 ALA 8 HB3 ALA 8 15.856 -2.552 -14.169 45 H GLY 9 H GLY 9 17.833 -2.513 -10.752 46 HA2 GLY 9 HA2 GLY 9 16.920 -5.020 -9.576 47 HA3 GLY 9 HA3 GLY 9 17.270 -3.519 -8.735 48 H GLU 10 H GLU 10 14.819 -5.615 -9.598 49 HA GLU 10 HA GLU 10 12.690 -3.691 -8.843 50 HB2 GLU 10 HB2 GLU 10 12.619 -5.592 -11.219 51 HB3 GLU 10 HB3 GLU 10 11.208 -4.776 -10.553 52 HG2 GLU 10 HG2 GLU 10 12.251 -2.561 -11.061 53 HG3 GLU 10 HG3 GLU 10 13.627 -3.390 -11.796 54 HA PRO 11 HA PRO 11 11.647 -7.176 -6.243 55 HB2 PRO 11 HB2 PRO 11 9.168 -6.505 -5.343 56 HB3 PRO 11 HB3 PRO 11 10.631 -5.590 -4.887 57 HG2 PRO 11 HG2 PRO 11 8.655 -4.936 -7.103 58 HG3 PRO 11 HG3 PRO 11 9.262 -3.865 -5.805 59 HD2 PRO 11 HD2 PRO 11 10.375 -3.879 -8.292 60 HD3 PRO 11 HD3 PRO 11 11.373 -3.658 -6.826 61 H SER 12 H SER 12 10.545 -9.147 -6.268 62 HA SER 12 HA SER 12 8.992 -9.924 -8.647 63 HB2 SER 12 HB2 SER 12 10.499 -11.516 -7.568 64 HB3 SER 12 HB3 SER 12 9.570 -11.400 -6.063 65 HG SER 12 HG SER 12 9.067 -13.206 -7.538 66 H GLN 13 H GLN 13 6.814 -10.579 -8.634 67 HA GLN 13 HA GLN 13 4.895 -9.182 -7.044 68 HB2 GLN 13 HB2 GLN 13 3.275 -10.727 -7.958 69 HB3 GLN 13 HB3 GLN 13 4.356 -10.128 -9.221 70 HG2 GLN 13 HG2 GLN 13 5.643 -12.277 -9.087 71 HG3 GLN 13 HG3 GLN 13 4.512 -12.860 -7.865 72 HE21 GLN 13 HE21 GLN 13 4.643 -14.571 -9.832 73 HE22 GLN 13 HE22 GLN 13 3.315 -14.386 -10.972 74 H ALA 14 H ALA 14 6.732 -12.125 -6.430 75 HA ALA 14 HA ALA 14 5.096 -12.971 -4.167 76 HB1 ALA 14 HB1 ALA 14 6.841 -14.691 -3.911 77 HB2 ALA 14 HB2 ALA 14 6.295 -14.591 -5.590 78 HB3 ALA 14 HB3 ALA 14 7.854 -13.869 -5.119 79 H ASP 15 H ASP 15 7.979 -10.965 -4.574 80 HA ASP 15 HA ASP 15 8.637 -10.784 -1.734 81 HB2 ASP 15 HB2 ASP 15 9.250 -8.754 -3.886 82 HB3 ASP 15 HB3 ASP 15 10.022 -8.898 -2.315 83 H LEU 16 H LEU 16 6.702 -8.951 -3.991 84 HA LEU 16 HA LEU 16 5.740 -6.976 -2.131 85 HB2 LEU 16 HB2 LEU 16 4.631 -8.017 -4.768 86 HB3 LEU 16 HB3 LEU 16 3.906 -6.678 -3.872 87 HG LEU 16 HG LEU 16 6.814 -6.577 -4.696 88 HD11 LEU 16 HD11 LEU 16 5.540 -6.959 -6.748 89 HD12 LEU 16 HD12 LEU 16 6.125 -5.294 -6.674 90 HD13 LEU 16 HD13 LEU 16 4.427 -5.647 -6.326 91 HD21 LEU 16 HD21 LEU 16 6.028 -4.911 -3.028 92 HD22 LEU 16 HD22 LEU 16 4.716 -4.448 -4.135 93 HD23 LEU 16 HD23 LEU 16 6.409 -4.141 -4.574 94 H ASP 17 H ASP 17 4.243 -10.074 -3.243 95 HA ASP 17 HA ASP 17 1.895 -9.905 -1.722 96 HB2 ASP 17 HB2 ASP 17 2.390 -11.570 -3.494 97 HB3 ASP 17 HB3 ASP 17 3.555 -12.362 -2.430 98 H ALA 18 H ALA 18 5.093 -11.106 -0.681 99 HA ALA 18 HA ALA 18 4.267 -12.030 1.930 100 HB1 ALA 18 HB1 ALA 18 6.310 -12.814 0.801 101 HB2 ALA 18 HB2 ALA 18 7.004 -11.172 0.884 102 HB3 ALA 18 HB3 ALA 18 6.697 -12.095 2.371 103 H LEU 19 H LEU 19 5.714 -8.954 0.799 104 HA LEU 19 HA LEU 19 5.832 -7.674 3.357 105 HB2 LEU 19 HB2 LEU 19 7.292 -7.172 1.536 106 HB3 LEU 19 HB3 LEU 19 5.975 -6.737 0.469 107 HG LEU 19 HG LEU 19 6.116 -5.089 2.955 108 HD11 LEU 19 HD11 LEU 19 8.518 -5.364 2.533 109 HD12 LEU 19 HD12 LEU 19 8.005 -3.732 2.105 110 HD13 LEU 19 HD13 LEU 19 8.296 -4.924 0.830 111 HD21 LEU 19 HD21 LEU 19 4.587 -4.566 1.059 112 HD22 LEU 19 HD22 LEU 19 5.997 -4.428 -0.024 113 HD23 LEU 19 HD23 LEU 19 5.789 -3.279 1.298 114 H LEU 20 H LEU 20 3.343 -7.728 0.823 115 HA LEU 20 HA LEU 20 1.559 -5.789 2.002 116 HB2 LEU 20 HB2 LEU 20 1.229 -7.988 -0.012 117 HB3 LEU 20 HB3 LEU 20 -0.084 -6.903 0.402 118 HG LEU 20 HG LEU 20 2.590 -5.812 -0.574 119 HD11 LEU 20 HD11 LEU 20 1.625 -7.369 -2.304 120 HD12 LEU 20 HD12 LEU 20 1.719 -5.675 -2.817 121 HD13 LEU 20 HD13 LEU 20 0.156 -6.366 -2.308 122 HD21 LEU 20 HD21 LEU 20 -0.216 -4.655 -0.609 123 HD22 LEU 20 HD22 LEU 20 1.261 -3.866 -1.208 124 HD23 LEU 20 HD23 LEU 20 1.080 -4.194 0.520 125 H SER 21 H SER 21 1.632 -9.420 2.233 126 HA SER 21 HA SER 21 -0.587 -9.597 4.054 127 HB2 SER 21 HB2 SER 21 1.850 -11.350 3.620 128 HB3 SER 21 HB3 SER 21 0.641 -11.698 4.872 129 HG SER 21 HG SER 21 0.009 -12.779 3.058 130 H ALA 22 H ALA 22 2.844 -8.780 4.635 131 HA ALA 22 HA ALA 22 2.637 -9.029 7.497 132 HB1 ALA 22 HB1 ALA 22 4.852 -8.048 7.515 133 HB2 ALA 22 HB2 ALA 22 4.746 -9.230 6.207 134 HB3 ALA 22 HB3 ALA 22 4.673 -7.494 5.829 135 H VAL 23 H VAL 23 2.039 -6.270 5.254 136 HA VAL 23 HA VAL 23 1.596 -4.458 7.557 137 HB VAL 23 HB VAL 23 2.594 -3.552 5.581 138 HG11 VAL 23 HG11 VAL 23 1.347 -3.207 3.520 139 HG12 VAL 23 HG12 VAL 23 1.592 -4.904 3.888 140 HG13 VAL 23 HG13 VAL 23 -0.006 -4.166 4.153 141 HG21 VAL 23 HG21 VAL 23 1.334 -1.527 5.385 142 HG22 VAL 23 HG22 VAL 23 -0.181 -2.353 5.798 143 HG23 VAL 23 HG23 VAL 23 1.067 -2.126 7.032 144 H ARG 24 H ARG 24 -0.428 -6.400 5.368 145 HA ARG 24 HA ARG 24 -2.935 -5.371 6.314 146 HB2 ARG 24 HB2 ARG 24 -2.460 -6.764 4.198 147 HB3 ARG 24 HB3 ARG 24 -2.379 -8.168 5.249 148 HG2 ARG 24 HG2 ARG 24 -4.561 -8.124 4.303 149 HG3 ARG 24 HG3 ARG 24 -4.765 -7.632 5.987 150 HD2 ARG 24 HD2 ARG 24 -4.761 -5.214 5.193 151 HD3 ARG 24 HD3 ARG 24 -4.706 -5.818 3.532 152 HE ARG 24 HE ARG 24 -6.876 -7.055 4.928 153 HH11 ARG 24 HH11 ARG 24 -6.112 -3.937 3.485 154 HH12 ARG 24 HH12 ARG 24 -7.764 -3.418 3.564 155 HH21 ARG 24 HH21 ARG 24 -8.969 -6.356 4.872 156 HH22 ARG 24 HH22 ARG 24 -9.354 -4.794 4.219 157 H ASP 25 H ASP 25 -0.838 -7.913 7.610 158 HA ASP 25 HA ASP 25 -2.695 -8.435 9.828 159 HB2 ASP 25 HB2 ASP 25 -1.326 -10.207 8.663 160 HB3 ASP 25 HB3 ASP 25 0.101 -9.533 9.449 161 H ASN 26 H ASN 26 -0.978 -5.822 9.297 162 HA ASN 26 HA ASN 26 -0.078 -4.159 10.442 163 HB2 ASN 26 HB2 ASN 26 -2.337 -4.503 11.550 164 HB3 ASN 26 HB3 ASN 26 -1.491 -5.281 12.893 165 HD21 ASN 26 HD21 ASN 26 -1.321 -3.848 14.576 166 HD22 ASN 26 HD22 ASN 26 -0.965 -2.136 14.388 167 H ARG 27 H ARG 27 1.590 -6.530 10.255 168 HA ARG 27 HA ARG 27 3.430 -6.294 12.587 169 HB2 ARG 27 HB2 ARG 27 3.835 -7.904 10.046 170 HB3 ARG 27 HB3 ARG 27 4.678 -8.081 11.573 171 HG2 ARG 27 HG2 ARG 27 1.769 -8.768 11.004 172 HG3 ARG 27 HG3 ARG 27 3.098 -9.899 11.218 173 HD2 ARG 27 HD2 ARG 27 3.334 -9.206 13.581 174 HD3 ARG 27 HD3 ARG 27 2.043 -8.005 13.375 175 HE ARG 27 HE ARG 27 0.832 -10.312 12.530 176 HH11 ARG 27 HH11 ARG 27 2.397 -9.576 15.591 177 HH12 ARG 27 HH12 ARG 27 1.347 -10.675 16.455 178 HH21 ARG 27 HH21 ARG 27 -0.402 -11.586 13.617 179 HH22 ARG 27 HH22 ARG 27 -0.261 -11.783 15.361 180 H LEU 28 H LEU 28 3.144 -5.226 9.228 181 HA LEU 28 HA LEU 28 5.803 -3.864 9.391 182 HB2 LEU 28 HB2 LEU 28 5.070 -5.733 7.653 183 HB3 LEU 28 HB3 LEU 28 4.256 -4.423 6.853 184 HG LEU 28 HG LEU 28 6.345 -4.878 5.806 185 HD11 LEU 28 HD11 LEU 28 5.705 -2.471 6.089 186 HD12 LEU 28 HD12 LEU 28 7.423 -2.799 5.766 187 HD13 LEU 28 HD13 LEU 28 6.883 -2.398 7.408 188 HD21 LEU 28 HD21 LEU 28 7.530 -5.939 7.738 189 HD22 LEU 28 HD22 LEU 28 7.758 -4.332 8.460 190 HD23 LEU 28 HD23 LEU 28 8.522 -4.714 6.912 191 H SER 29 H SER 29 5.924 -1.648 9.087 192 HA SER 29 HA SER 29 3.409 -0.118 9.265 193 HB2 SER 29 HB2 SER 29 6.291 0.824 9.446 194 HB3 SER 29 HB3 SER 29 4.847 1.799 9.755 195 HG SER 29 HG SER 29 5.772 0.924 11.679 196 H ILE 30 H ILE 30 2.939 1.735 7.957 197 HA ILE 30 HA ILE 30 3.003 1.308 5.140 198 HB ILE 30 HB ILE 30 2.622 3.859 6.780 199 HG12 ILE 30 HG12 ILE 30 0.957 2.112 7.329 200 HG13 ILE 30 HG13 ILE 30 0.276 3.573 6.628 201 HG21 ILE 30 HG21 ILE 30 3.110 4.598 4.578 202 HG22 ILE 30 HG22 ILE 30 2.100 3.347 3.839 203 HG23 ILE 30 HG23 ILE 30 1.353 4.681 4.745 204 HD11 ILE 30 HD11 ILE 30 0.687 0.948 5.129 205 HD12 ILE 30 HD12 ILE 30 -0.842 1.599 5.757 206 HD13 ILE 30 HD13 ILE 30 -0.019 2.446 4.457 207 H GLU 31 H GLU 31 5.071 3.572 7.072 208 HA GLU 31 HA GLU 31 6.593 4.312 4.721 209 HB2 GLU 31 HB2 GLU 31 7.070 4.778 7.692 210 HB3 GLU 31 HB3 GLU 31 8.099 5.412 6.402 211 HG2 GLU 31 HG2 GLU 31 6.073 6.537 5.393 212 HG3 GLU 31 HG3 GLU 31 5.146 6.037 6.812 213 H GLN 32 H GLN 32 6.978 1.688 7.056 214 HA GLN 32 HA GLN 32 9.745 1.119 6.326 215 HB2 GLN 32 HB2 GLN 32 7.571 -0.369 7.823 216 HB3 GLN 32 HB3 GLN 32 9.121 -1.126 7.448 217 HG2 GLN 32 HG2 GLN 32 8.749 1.432 9.067 218 HG3 GLN 32 HG3 GLN 32 9.028 -0.174 9.733 219 HE21 GLN 32 HE21 GLN 32 11.154 -1.277 9.114 220 HE22 GLN 32 HE22 GLN 32 12.534 -0.229 8.841 221 H ALA 33 H ALA 33 6.488 -0.035 5.276 222 HA ALA 33 HA ALA 33 7.447 -1.890 3.337 223 HB1 ALA 33 HB1 ALA 33 4.879 -0.321 3.714 224 HB2 ALA 33 HB2 ALA 33 5.107 -1.414 2.336 225 HB3 ALA 33 HB3 ALA 33 5.171 -2.057 3.979 226 H VAL 34 H VAL 34 7.177 1.648 3.181 227 HA VAL 34 HA VAL 34 7.775 1.768 0.310 228 HB VAL 34 HB VAL 34 7.836 3.901 2.463 229 HG11 VAL 34 HG11 VAL 34 9.365 4.617 0.692 230 HG12 VAL 34 HG12 VAL 34 8.206 4.126 -0.558 231 HG13 VAL 34 HG13 VAL 34 7.853 5.510 0.506 232 HG21 VAL 34 HG21 VAL 34 5.779 4.694 1.428 233 HG22 VAL 34 HG22 VAL 34 5.851 3.390 0.213 234 HG23 VAL 34 HG23 VAL 34 5.554 3.003 1.899 235 H THR 35 H THR 35 9.721 2.160 3.361 236 HA THR 35 HA THR 35 12.082 2.765 1.878 237 HB THR 35 HB THR 35 11.504 3.202 4.385 238 HG1 THR 35 HG1 THR 35 13.717 3.503 4.731 239 HG21 THR 35 HG21 THR 35 12.652 1.824 5.985 240 HG22 THR 35 HG22 THR 35 13.291 0.753 4.722 241 HG23 THR 35 HG23 THR 35 11.560 0.773 5.078 242 H LEU 36 H LEU 36 10.707 -0.302 2.799 243 HA LEU 36 HA LEU 36 13.007 -1.871 1.869 244 HB2 LEU 36 HB2 LEU 36 10.145 -2.641 2.567 245 HB3 LEU 36 HB3 LEU 36 11.430 -3.787 2.186 246 HG LEU 36 HG LEU 36 11.355 -1.922 4.594 247 HD11 LEU 36 HD11 LEU 36 11.127 -3.980 5.876 248 HD12 LEU 36 HD12 LEU 36 11.138 -4.946 4.378 249 HD13 LEU 36 HD13 LEU 36 9.804 -3.823 4.713 250 HD21 LEU 36 HD21 LEU 36 13.480 -3.907 3.754 251 HD22 LEU 36 HD22 LEU 36 13.360 -3.173 5.371 252 HD23 LEU 36 HD23 LEU 36 13.671 -2.151 3.970 253 H LEU 37 H LEU 37 10.132 -0.522 0.325 254 HA LEU 37 HA LEU 37 10.410 -2.072 -2.134 255 HB2 LEU 37 HB2 LEU 37 8.282 -0.948 -1.402 256 HB3 LEU 37 HB3 LEU 37 9.070 0.616 -1.614 257 HG LEU 37 HG LEU 37 9.492 -0.232 -4.096 258 HD11 LEU 37 HD11 LEU 37 7.720 -1.696 -4.911 259 HD12 LEU 37 HD12 LEU 37 7.070 -1.876 -3.262 260 HD13 LEU 37 HD13 LEU 37 8.668 -2.543 -3.679 261 HD21 LEU 37 HD21 LEU 37 7.284 0.695 -4.749 262 HD22 LEU 37 HD22 LEU 37 8.107 1.688 -3.541 263 HD23 LEU 37 HD23 LEU 37 6.785 0.625 -3.037 264 H THR 38 H THR 38 11.289 1.228 -1.066 265 HA THR 38 HA THR 38 13.344 1.512 -3.207 266 HB THR 38 HB THR 38 11.181 3.529 -2.532 267 HG1 THR 38 HG1 THR 38 10.494 3.075 -4.640 268 HG21 THR 38 HG21 THR 38 12.052 4.738 -4.527 269 HG22 THR 38 HG22 THR 38 13.382 3.560 -4.646 270 HG23 THR 38 HG23 THR 38 13.262 4.651 -3.252 271 HA PRO 39 HA PRO 39 15.481 3.242 0.452 272 HB2 PRO 39 HB2 PRO 39 17.627 3.701 -1.623 273 HB3 PRO 39 HB3 PRO 39 17.761 3.031 0.025 274 HG2 PRO 39 HG2 PRO 39 17.804 1.389 -2.128 275 HG3 PRO 39 HG3 PRO 39 16.851 0.941 -0.677 276 HD2 PRO 39 HD2 PRO 39 15.879 2.261 -3.238 277 HD3 PRO 39 HD3 PRO 39 15.213 0.837 -2.384 278 H ARG 40 H ARG 40 14.104 5.016 0.688 279 HA ARG 40 HA ARG 40 13.961 7.201 -1.157 280 HB2 ARG 40 HB2 ARG 40 12.407 8.207 0.318 281 HB3 ARG 40 HB3 ARG 40 12.055 6.504 0.053 282 HG2 ARG 40 HG2 ARG 40 13.065 5.941 2.244 283 HG3 ARG 40 HG3 ARG 40 13.425 7.663 2.515 284 HD2 ARG 40 HD2 ARG 40 11.008 8.178 2.275 285 HD3 ARG 40 HD3 ARG 40 10.669 6.446 2.067 286 HE ARG 40 HE ARG 40 12.074 6.646 4.480 287 HH11 ARG 40 HH11 ARG 40 8.995 7.966 3.350 288 HH12 ARG 40 HH12 ARG 40 8.407 8.073 5.013 289 HH21 ARG 40 HH21 ARG 40 11.139 6.859 6.535 290 HH22 ARG 40 HH22 ARG 40 9.502 7.516 6.623 291 H ARG 41 H ARG 41 14.629 9.257 -1.123 292 HA ARG 41 HA ARG 41 16.744 10.124 0.838 293 HB2 ARG 41 HB2 ARG 41 16.572 10.623 -2.161 294 HB3 ARG 41 HB3 ARG 41 17.793 11.304 -1.103 295 HG2 ARG 41 HG2 ARG 41 17.482 8.319 -1.640 296 HG3 ARG 41 HG3 ARG 41 18.568 9.406 -2.494 297 HD2 ARG 41 HD2 ARG 41 19.917 8.324 -0.931 298 HD3 ARG 41 HD3 ARG 41 19.664 9.956 -0.270 299 HE ARG 41 HE ARG 41 17.689 8.117 0.753 300 HH11 ARG 41 HH11 ARG 41 21.088 8.831 1.250 301 HH12 ARG 41 HH12 ARG 41 21.054 8.210 2.877 302 HH21 ARG 41 HH21 ARG 41 17.681 7.422 2.770 303 HH22 ARG 41 HH22 ARG 41 19.141 7.433 3.735 304 H GLY 42 H GLY 42 13.659 10.857 -0.087 305 HA2 GLY 42 HA2 GLY 42 13.764 13.723 -0.349 306 HA3 GLY 42 HA3 GLY 42 12.322 12.744 -0.097 307 H GLY 43 H GLY 43 12.422 15.161 1.025 308 HA2 GLY 43 HA2 GLY 43 11.891 14.670 3.792 309 HA3 GLY 43 HA3 GLY 43 13.425 15.528 3.641 310 H GLY 44 H GLY 44 11.351 16.667 5.008 311 HA2 GLY 44 HA2 GLY 44 10.240 18.686 5.224 312 HA3 GLY 44 HA3 GLY 44 10.915 19.196 3.679 313 H SER 45 H SER 45 8.787 20.229 3.440 314 HA SER 45 HA SER 45 6.355 18.744 3.179 315 HB2 SER 45 HB2 SER 45 7.070 21.480 2.072 316 HB3 SER 45 HB3 SER 45 5.436 20.811 2.234 317 HG SER 45 HG SER 45 5.979 22.166 4.016 318 H GLY 46 H GLY 46 5.369 17.792 1.496 319 HA2 GLY 46 HA2 GLY 46 5.521 18.283 -1.238 320 HA3 GLY 46 HA3 GLY 46 6.800 17.120 -0.925 321 H GLY 47 H GLY 47 4.960 16.270 -2.614 322 HA2 GLY 47 HA2 GLY 47 4.106 13.801 -1.689 323 HA3 GLY 47 HA3 GLY 47 2.702 14.860 -1.466 324 H GLY 48 H GLY 48 2.162 12.894 -3.026 325 HA2 GLY 48 HA2 GLY 48 1.374 14.035 -5.508 326 HA3 GLY 48 HA3 GLY 48 2.749 12.971 -5.808 327 H SER 49 H SER 49 0.138 12.603 -6.856 328 HA SER 49 HA SER 49 -1.372 10.629 -5.359 329 HB2 SER 49 HB2 SER 49 -1.462 11.377 -8.303 330 HB3 SER 49 HB3 SER 49 -2.599 10.301 -7.479 331 HG SER 49 HG SER 49 -2.124 13.070 -6.900 332 H MET 50 H MET 50 -1.349 8.462 -5.422 333 HA MET 50 HA MET 50 -0.376 6.445 -5.421 334 HB2 MET 50 HB2 MET 50 -0.425 6.966 -8.406 335 HB3 MET 50 HB3 MET 50 -0.049 5.389 -7.688 336 HG2 MET 50 HG2 MET 50 -2.184 5.398 -6.474 337 HG3 MET 50 HG3 MET 50 -2.617 6.930 -7.250 338 HE1 MET 50 HE1 MET 50 -5.027 4.224 -8.813 339 HE2 MET 50 HE2 MET 50 -4.348 4.185 -7.171 340 HE3 MET 50 HE3 MET 50 -4.925 5.719 -7.867 341 H ASP 51 H ASP 51 1.436 8.302 -4.621 342 HA ASP 51 HA ASP 51 4.095 7.214 -5.305 343 HB2 ASP 51 HB2 ASP 51 3.793 9.416 -4.159 344 HB3 ASP 51 HB3 ASP 51 3.027 8.583 -2.799 345 H ALA 52 H ALA 52 5.179 5.638 -3.880 346 HA ALA 52 HA ALA 52 3.697 3.300 -3.330 347 HB1 ALA 52 HB1 ALA 52 6.353 4.209 -2.163 348 HB2 ALA 52 HB2 ALA 52 5.704 2.553 -2.121 349 HB3 ALA 52 HB3 ALA 52 6.107 3.296 -3.677 350 H LYS 53 H LYS 53 4.414 6.034 -1.128 351 HA LYS 53 HA LYS 53 3.457 4.814 1.300 352 HB2 LYS 53 HB2 LYS 53 4.851 6.927 1.019 353 HB3 LYS 53 HB3 LYS 53 3.390 7.784 0.536 354 HG2 LYS 53 HG2 LYS 53 3.668 6.280 3.166 355 HG3 LYS 53 HG3 LYS 53 4.189 7.958 2.971 356 HD2 LYS 53 HD2 LYS 53 1.937 8.727 2.569 357 HD3 LYS 53 HD3 LYS 53 1.319 7.084 2.477 358 HE2 LYS 53 HE2 LYS 53 2.208 6.727 4.846 359 HE3 LYS 53 HE3 LYS 53 2.377 8.482 4.931 360 HZ1 LYS 53 HZ1 LYS 53 -0.157 7.020 4.340 361 HZ2 LYS 53 HZ2 LYS 53 -0.013 8.644 4.430 362 HZ3 LYS 53 HZ3 LYS 53 0.206 7.738 5.765 363 H GLU 54 H GLU 54 1.803 6.874 -1.086 364 HA GLU 54 HA GLU 54 -0.777 6.739 0.160 365 HB2 GLU 54 HB2 GLU 54 0.044 8.449 -1.541 366 HB3 GLU 54 HB3 GLU 54 -0.249 7.222 -2.791 367 HG2 GLU 54 HG2 GLU 54 -2.645 7.058 -1.934 368 HG3 GLU 54 HG3 GLU 54 -2.289 8.409 -0.851 369 H ILE 55 H ILE 55 0.734 4.722 -2.404 370 HA ILE 55 HA ILE 55 -1.540 3.071 -2.967 371 HB ILE 55 HB ILE 55 1.449 2.548 -3.162 372 HG12 ILE 55 HG12 ILE 55 -0.497 2.964 -5.462 373 HG13 ILE 55 HG13 ILE 55 0.178 4.360 -4.634 374 HG21 ILE 55 HG21 ILE 55 0.715 0.688 -4.787 375 HG22 ILE 55 HG22 ILE 55 0.447 0.374 -3.064 376 HG23 ILE 55 HG23 ILE 55 -0.901 0.869 -4.114 377 HD11 ILE 55 HD11 ILE 55 1.456 3.706 -6.672 378 HD12 ILE 55 HD12 ILE 55 2.435 3.786 -5.199 379 HD13 ILE 55 HD13 ILE 55 1.958 2.213 -5.856 380 H LEU 56 H LEU 56 1.108 2.638 -0.561 381 HA LEU 56 HA LEU 56 0.064 0.269 0.662 382 HB2 LEU 56 HB2 LEU 56 2.074 2.384 1.301 383 HB3 LEU 56 HB3 LEU 56 1.284 1.685 2.699 384 HG LEU 56 HG LEU 56 3.340 0.593 2.324 385 HD11 LEU 56 HD11 LEU 56 1.130 -1.345 1.524 386 HD12 LEU 56 HD12 LEU 56 1.375 -0.716 3.163 387 HD13 LEU 56 HD13 LEU 56 2.636 -1.697 2.389 388 HD21 LEU 56 HD21 LEU 56 3.779 -0.823 0.370 389 HD22 LEU 56 HD22 LEU 56 3.651 0.895 -0.043 390 HD23 LEU 56 HD23 LEU 56 2.296 -0.204 -0.401 391 H THR 57 H THR 57 -0.577 3.720 1.350 392 HA THR 57 HA THR 57 -2.232 3.281 3.644 393 HB THR 57 HB THR 57 -2.292 5.621 1.705 394 HG1 THR 57 HG1 THR 57 -0.252 5.242 2.638 395 HG21 THR 57 HG21 THR 57 -3.200 5.356 4.607 396 HG22 THR 57 HG22 THR 57 -4.244 5.659 3.206 397 HG23 THR 57 HG23 THR 57 -3.081 6.888 3.710 398 H ARG 58 H ARG 58 -3.106 3.676 0.186 399 HA ARG 58 HA ARG 58 -5.942 3.282 0.433 400 HB2 ARG 58 HB2 ARG 58 -4.029 2.624 -1.847 401 HB3 ARG 58 HB3 ARG 58 -5.788 2.612 -1.973 402 HG2 ARG 58 HG2 ARG 58 -5.993 4.940 -1.795 403 HG3 ARG 58 HG3 ARG 58 -4.328 5.164 -1.250 404 HD2 ARG 58 HD2 ARG 58 -3.487 4.290 -3.419 405 HD3 ARG 58 HD3 ARG 58 -5.145 4.062 -3.985 406 HE ARG 58 HE ARG 58 -3.622 6.587 -3.766 407 HH11 ARG 58 HH11 ARG 58 -6.848 5.299 -4.289 408 HH12 ARG 58 HH12 ARG 58 -7.364 6.756 -5.096 409 HH21 ARG 58 HH21 ARG 58 -4.307 8.327 -4.708 410 HH22 ARG 58 HH22 ARG 58 -5.962 8.469 -5.317 411 H PHE 59 H PHE 59 -3.318 0.870 -0.107 412 HA PHE 59 HA PHE 59 -5.052 -1.402 -0.227 413 HB2 PHE 59 HB2 PHE 59 -2.791 -1.461 -1.082 414 HB3 PHE 59 HB3 PHE 59 -2.125 -1.085 0.502 415 HD1 PHE 59 HD1 PHE 59 -4.144 -3.674 -1.329 416 HD2 PHE 59 HD2 PHE 59 -1.564 -2.825 2.020 417 HE1 PHE 59 HE1 PHE 59 -4.087 -6.090 -0.748 418 HE2 PHE 59 HE2 PHE 59 -1.484 -5.233 2.581 419 HZ PHE 59 HZ PHE 59 -2.739 -6.880 1.192 420 H LYS 60 H LYS 60 -3.276 0.005 2.599 421 HA LYS 60 HA LYS 60 -4.236 -2.017 4.372 422 HB2 LYS 60 HB2 LYS 60 -2.185 -0.532 4.656 423 HB3 LYS 60 HB3 LYS 60 -3.286 0.732 5.229 424 HG2 LYS 60 HG2 LYS 60 -4.089 -0.847 7.014 425 HG3 LYS 60 HG3 LYS 60 -2.941 -2.066 6.422 426 HD2 LYS 60 HD2 LYS 60 -1.069 -0.468 6.913 427 HD3 LYS 60 HD3 LYS 60 -2.259 0.654 7.605 428 HE2 LYS 60 HE2 LYS 60 -2.930 -1.084 9.252 429 HE3 LYS 60 HE3 LYS 60 -1.776 -2.225 8.535 430 HZ1 LYS 60 HZ1 LYS 60 0.010 -0.717 9.190 431 HZ2 LYS 60 HZ2 LYS 60 -0.862 -1.143 10.504 432 HZ3 LYS 60 HZ3 LYS 60 -1.050 0.344 9.852 433 H ASP 61 H ASP 61 -5.582 1.119 3.518 434 HA ASP 61 HA ASP 61 -7.791 1.047 5.385 435 HB2 ASP 61 HB2 ASP 61 -6.862 3.092 4.360 436 HB3 ASP 61 HB3 ASP 61 -7.431 2.558 2.777 437 H GLY 62 H GLY 62 -7.229 -0.743 2.497 438 HA2 GLY 62 HA2 GLY 62 -8.527 -2.396 1.518 439 HA3 GLY 62 HA3 GLY 62 -9.918 -1.927 2.506 440 H GLY 63 H GLY 63 -8.441 0.689 0.820 441 HA2 GLY 63 HA2 GLY 63 -10.678 0.997 -1.084 442 HA3 GLY 63 HA3 GLY 63 -9.334 2.102 -0.820 443 H LEU 64 H LEU 64 -7.753 -0.710 -1.136 444 HA LEU 64 HA LEU 64 -7.670 -0.779 -4.110 445 HB2 LEU 64 HB2 LEU 64 -5.907 0.727 -2.974 446 HB3 LEU 64 HB3 LEU 64 -5.221 -0.740 -2.315 447 HG LEU 64 HG LEU 64 -4.911 -1.535 -4.721 448 HD11 LEU 64 HD11 LEU 64 -5.560 1.397 -5.255 449 HD12 LEU 64 HD12 LEU 64 -6.525 0.007 -5.821 450 HD13 LEU 64 HD13 LEU 64 -4.885 0.262 -6.439 451 HD21 LEU 64 HD21 LEU 64 -3.542 1.063 -3.885 452 HD22 LEU 64 HD22 LEU 64 -2.936 -0.105 -5.084 453 HD23 LEU 64 HD23 LEU 64 -3.064 -0.570 -3.385 454 H ASP 65 H ASP 65 -7.452 -2.810 -4.972 455 HA ASP 65 HA ASP 65 -7.459 -5.155 -3.219 456 HB2 ASP 65 HB2 ASP 65 -7.234 -5.103 -6.234 457 HB3 ASP 65 HB3 ASP 65 -7.732 -6.444 -5.211 458 H ARG 66 H ARG 66 -5.878 -6.894 -3.331 459 HA ARG 66 HA ARG 66 -3.189 -5.994 -3.118 460 HB2 ARG 66 HB2 ARG 66 -4.201 -8.061 -2.046 461 HB3 ARG 66 HB3 ARG 66 -4.076 -8.872 -3.612 462 HG2 ARG 66 HG2 ARG 66 -1.617 -8.470 -3.624 463 HG3 ARG 66 HG3 ARG 66 -1.739 -7.643 -2.059 464 HD2 ARG 66 HD2 ARG 66 -2.536 -10.544 -2.530 465 HD3 ARG 66 HD3 ARG 66 -0.921 -9.998 -2.041 466 HE ARG 66 HE ARG 66 -3.255 -9.214 -0.362 467 HH11 ARG 66 HH11 ARG 66 -0.431 -11.334 -0.626 468 HH12 ARG 66 HH12 ARG 66 -0.268 -11.398 1.117 469 HH21 ARG 66 HH21 ARG 66 -3.047 -9.638 1.872 470 HH22 ARG 66 HH22 ARG 66 -1.705 -10.643 2.397 471 H ALA 67 H ALA 67 -4.800 -7.552 -5.879 472 HA ALA 67 HA ALA 67 -2.533 -7.856 -7.558 473 HB1 ALA 67 HB1 ALA 67 -4.221 -7.952 -9.375 474 HB2 ALA 67 HB2 ALA 67 -4.730 -8.898 -7.962 475 HB3 ALA 67 HB3 ALA 67 -5.452 -7.305 -8.266 476 H ALA 68 H ALA 68 -4.686 -5.020 -7.090 477 HA ALA 68 HA ALA 68 -3.305 -3.358 -9.043 478 HB1 ALA 68 HB1 ALA 68 -5.676 -3.022 -8.487 479 HB2 ALA 68 HB2 ALA 68 -5.245 -2.658 -6.801 480 HB3 ALA 68 HB3 ALA 68 -4.720 -1.576 -8.108 481 H ALA 69 H ALA 69 -3.093 -3.730 -5.457 482 HA ALA 69 HA ALA 69 -1.171 -1.706 -5.021 483 HB1 ALA 69 HB1 ALA 69 -0.702 -2.857 -2.932 484 HB2 ALA 69 HB2 ALA 69 -2.454 -2.909 -3.253 485 HB3 ALA 69 HB3 ALA 69 -1.452 -4.347 -3.530 486 H GLN 70 H GLN 70 -0.600 -5.194 -5.798 487 HA GLN 70 HA GLN 70 2.243 -5.056 -5.923 488 HB2 GLN 70 HB2 GLN 70 0.254 -6.815 -7.415 489 HB3 GLN 70 HB3 GLN 70 2.009 -7.054 -7.443 490 HG2 GLN 70 HG2 GLN 70 2.101 -7.526 -5.099 491 HG3 GLN 70 HG3 GLN 70 0.431 -7.059 -4.840 492 HE21 GLN 70 HE21 GLN 70 2.443 -9.805 -5.387 493 HE22 GLN 70 HE22 GLN 70 1.136 -10.871 -5.860 494 H ALA 71 H ALA 71 -0.175 -4.490 -8.546 495 HA ALA 71 HA ALA 71 1.669 -4.044 -10.655 496 HB1 ALA 71 HB1 ALA 71 -0.238 -2.913 -11.752 497 HB2 ALA 71 HB2 ALA 71 -0.749 -4.423 -10.976 498 HB3 ALA 71 HB3 ALA 71 -1.110 -2.855 -10.205 499 H LEU 72 H LEU 72 0.047 -1.620 -8.552 500 HA LEU 72 HA LEU 72 1.354 0.653 -9.689 501 HB2 LEU 72 HB2 LEU 72 -0.324 0.099 -7.226 502 HB3 LEU 72 HB3 LEU 72 0.380 1.673 -7.493 503 HG LEU 72 HG LEU 72 -0.908 2.214 -9.286 504 HD11 LEU 72 HD11 LEU 72 -2.374 0.799 -10.603 505 HD12 LEU 72 HD12 LEU 72 -1.825 -0.644 -9.733 506 HD13 LEU 72 HD13 LEU 72 -0.692 0.273 -10.757 507 HD21 LEU 72 HD21 LEU 72 -3.226 1.773 -8.600 508 HD22 LEU 72 HD22 LEU 72 -2.219 1.999 -7.162 509 HD23 LEU 72 HD23 LEU 72 -2.703 0.359 -7.673 510 H LEU 73 H LEU 73 2.185 -1.308 -6.784 511 HA LEU 73 HA LEU 73 4.412 0.367 -5.992 512 HB2 LEU 73 HB2 LEU 73 3.750 -2.566 -5.498 513 HB3 LEU 73 HB3 LEU 73 5.149 -1.771 -4.808 514 HG LEU 73 HG LEU 73 2.296 -0.812 -4.353 515 HD11 LEU 73 HD11 LEU 73 4.022 -2.540 -2.529 516 HD12 LEU 73 HD12 LEU 73 2.590 -3.086 -3.424 517 HD13 LEU 73 HD13 LEU 73 2.415 -1.879 -2.144 518 HD21 LEU 73 HD21 LEU 73 4.760 -0.208 -2.696 519 HD22 LEU 73 HD22 LEU 73 3.139 0.489 -2.537 520 HD23 LEU 73 HD23 LEU 73 4.108 0.889 -3.942 521 H ALA 74 H ALA 74 4.157 -2.356 -8.262 522 HA ALA 74 HA ALA 74 6.979 -2.283 -8.945 523 HB1 ALA 74 HB1 ALA 74 6.348 -3.917 -10.655 524 HB2 ALA 74 HB2 ALA 74 5.635 -4.334 -9.085 525 HB3 ALA 74 HB3 ALA 74 4.627 -3.599 -10.351 526 H GLY 75 H GLY 75 4.645 0.012 -9.549 527 HA2 GLY 75 HA2 GLY 75 4.693 1.906 -10.821 528 HA3 GLY 75 HA3 GLY 75 6.183 1.356 -11.593 529 H ARG 76 H ARG 76 3.754 -1.015 -11.964 530 HA ARG 76 HA ARG 76 3.339 -0.322 -14.797 531 HB2 ARG 76 HB2 ARG 76 3.982 -2.685 -13.665 532 HB3 ARG 76 HB3 ARG 76 2.233 -2.797 -13.451 533 HG2 ARG 76 HG2 ARG 76 2.118 -2.175 -15.990 534 HG3 ARG 76 HG3 ARG 76 3.856 -2.497 -15.995 535 HD2 ARG 76 HD2 ARG 76 3.372 -4.800 -15.109 536 HD3 ARG 76 HD3 ARG 76 1.639 -4.471 -15.206 537 HE ARG 76 HE ARG 76 3.460 -5.138 -17.389 538 HH11 ARG 76 HH11 ARG 76 0.347 -3.553 -16.780 539 HH12 ARG 76 HH12 ARG 76 -0.164 -3.813 -18.424 540 HH21 ARG 76 HH21 ARG 76 2.704 -5.391 -19.442 541 HH22 ARG 76 HH22 ARG 76 1.111 -4.826 -19.873 542 H THR 77 H THR 77 1.262 -0.236 -15.772 543 HA THR 77 HA THR 77 -1.076 0.354 -14.095 544 HB THR 77 HB THR 77 -2.301 0.324 -16.302 545 HG1 THR 77 HG1 THR 77 -0.890 -0.848 -17.555 546 HG21 THR 77 HG21 THR 77 -1.520 2.417 -15.253 547 HG22 THR 77 HG22 THR 77 -1.420 2.486 -17.019 548 HG23 THR 77 HG23 THR 77 0.059 2.242 -16.067 549 HA PRO 78 HA PRO 78 -2.400 -3.979 -13.933 550 HB2 PRO 78 HB2 PRO 78 -5.164 -2.777 -13.898 551 HB3 PRO 78 HB3 PRO 78 -4.461 -4.041 -12.837 552 HG2 PRO 78 HG2 PRO 78 -4.733 -1.501 -11.937 553 HG3 PRO 78 HG3 PRO 78 -3.222 -2.416 -11.605 554 HD2 PRO 78 HD2 PRO 78 -3.728 -0.361 -13.789 555 HD3 PRO 78 HD3 PRO 78 -2.353 -0.495 -12.655 556 H ALA 79 H ALA 79 -3.735 -5.517 -15.174 557 HA ALA 79 HA ALA 79 -4.692 -4.629 -17.842 558 HB1 ALA 79 HB1 ALA 79 -3.392 -6.417 -18.938 559 HB2 ALA 79 HB2 ALA 79 -2.320 -5.256 -18.129 560 HB3 ALA 79 HB3 ALA 79 -2.645 -6.846 -17.389 561 H ALA 80 H ALA 80 -5.989 -6.174 -18.958 562 HA ALA 80 HA ALA 80 -7.863 -7.611 -17.277 563 HB1 ALA 80 HB1 ALA 80 -8.522 -6.370 -19.312 564 HB2 ALA 80 HB2 ALA 80 -7.565 -7.500 -20.306 565 HB3 ALA 80 HB3 ALA 80 -8.980 -8.084 -19.417 566 H ALA 81 H ALA 81 -8.524 -9.844 -17.690 567 HA ALA 81 HA ALA 81 -6.313 -11.704 -18.448 568 HB1 ALA 81 HB1 ALA 81 -7.168 -13.270 -16.761 569 HB2 ALA 81 HB2 ALA 81 -6.643 -11.740 -16.037 570 HB3 ALA 81 HB3 ALA 81 -8.377 -12.069 -16.256 571 HA PRO 82 HA PRO 82 -9.392 -13.210 -21.358 572 HB2 PRO 82 HB2 PRO 82 -8.080 -15.321 -22.445 573 HB3 PRO 82 HB3 PRO 82 -7.518 -13.639 -22.646 574 HG2 PRO 82 HG2 PRO 82 -6.549 -15.676 -20.603 575 HG3 PRO 82 HG3 PRO 82 -5.565 -14.684 -21.731 576 HD2 PRO 82 HD2 PRO 82 -6.042 -13.927 -19.135 577 HD3 PRO 82 HD3 PRO 82 -5.915 -12.729 -20.457 578 H ARG 83 H ARG 83 -10.625 -13.580 -19.258 579 HA ARG 83 HA ARG 83 -11.332 -16.471 -18.905 580 HB2 ARG 83 HB2 ARG 83 -9.796 -15.413 -17.083 581 HB3 ARG 83 HB3 ARG 83 -11.200 -14.452 -16.640 582 HG2 ARG 83 HG2 ARG 83 -12.264 -17.029 -16.619 583 HG3 ARG 83 HG3 ARG 83 -10.578 -17.355 -16.230 584 HD2 ARG 83 HD2 ARG 83 -11.671 -17.054 -14.142 585 HD3 ARG 83 HD3 ARG 83 -10.805 -15.540 -14.420 586 HE ARG 83 HE ARG 83 -13.597 -15.631 -15.418 587 HH11 ARG 83 HH11 ARG 83 -11.718 -14.691 -12.590 588 HH12 ARG 83 HH12 ARG 83 -13.012 -13.669 -12.022 589 HH21 ARG 83 HH21 ARG 83 -15.067 -14.418 -14.706 590 HH22 ARG 83 HH22 ARG 83 -14.925 -13.502 -13.201 591 HA PRO 84 HA PRO 84 -15.466 -14.654 -19.460 592 HB2 PRO 84 HB2 PRO 84 -17.025 -16.796 -18.704 593 HB3 PRO 84 HB3 PRO 84 -16.210 -16.666 -20.286 594 HG2 PRO 84 HG2 PRO 84 -15.223 -18.092 -17.793 595 HG3 PRO 84 HG3 PRO 84 -15.313 -18.733 -19.475 596 HD2 PRO 84 HD2 PRO 84 -13.004 -17.770 -18.503 597 HD3 PRO 84 HD3 PRO 84 -13.494 -17.372 -20.176 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 36.550 -1.198 -20.624 2 H2 GLY 1 H2 GLY 1 37.622 -1.842 -21.678 3 H3 GLY 1 H3 GLY 1 38.155 -0.919 -20.422 4 HA2 GLY 1 HA2 GLY 1 38.594 -3.206 -19.936 5 HA3 GLY 1 HA3 GLY 1 37.348 -2.576 -18.842 6 HA PRO 2 HA PRO 2 35.892 -6.570 -20.689 7 HB2 PRO 2 HB2 PRO 2 34.790 -6.816 -17.891 8 HB3 PRO 2 HB3 PRO 2 35.563 -8.072 -18.904 9 HG2 PRO 2 HG2 PRO 2 36.976 -6.927 -16.928 10 HG3 PRO 2 HG3 PRO 2 37.740 -7.114 -18.540 11 HD2 PRO 2 HD2 PRO 2 36.397 -4.649 -17.388 12 HD3 PRO 2 HD3 PRO 2 37.997 -4.796 -18.171 13 H GLY 3 H GLY 3 34.113 -3.981 -19.168 14 HA2 GLY 3 HA2 GLY 3 32.024 -3.110 -19.814 15 HA3 GLY 3 HA3 GLY 3 31.656 -4.576 -20.711 16 H SER 4 H SER 4 29.619 -3.733 -19.430 17 HA SER 4 HA SER 4 29.408 -4.210 -16.626 18 HB2 SER 4 HB2 SER 4 27.194 -4.012 -18.692 19 HB3 SER 4 HB3 SER 4 27.012 -3.792 -16.946 20 HG SER 4 HG SER 4 28.375 -1.976 -17.095 21 H TYR 5 H TYR 5 28.136 -5.662 -15.445 22 HA TYR 5 HA TYR 5 27.161 -8.144 -16.731 23 HB2 TYR 5 HB2 TYR 5 29.431 -8.657 -15.939 24 HB3 TYR 5 HB3 TYR 5 29.022 -8.074 -14.331 25 HD1 TYR 5 HD1 TYR 5 28.202 -10.689 -16.885 26 HD2 TYR 5 HD2 TYR 5 27.951 -9.506 -12.737 27 HE1 TYR 5 HE1 TYR 5 27.378 -12.968 -16.271 28 HE2 TYR 5 HE2 TYR 5 27.151 -11.793 -12.137 29 HH TYR 5 HH TYR 5 26.590 -13.876 -12.893 30 H THR 6 H THR 6 25.329 -8.974 -15.775 31 HA THR 6 HA THR 6 24.118 -7.572 -13.433 32 HB THR 6 HB THR 6 22.001 -7.317 -14.717 33 HG1 THR 6 HG1 THR 6 22.106 -7.403 -16.946 34 HG21 THR 6 HG21 THR 6 22.606 -5.301 -15.913 35 HG22 THR 6 HG22 THR 6 24.312 -5.787 -15.985 36 HG23 THR 6 HG23 THR 6 23.571 -5.398 -14.427 37 H GLY 7 H GLY 7 22.100 -8.562 -12.673 38 HA2 GLY 7 HA2 GLY 7 21.229 -11.171 -13.496 39 HA3 GLY 7 HA3 GLY 7 22.292 -11.297 -12.089 40 H ALA 8 H ALA 8 19.932 -12.221 -11.693 41 HA ALA 8 HA ALA 8 18.121 -12.340 -10.444 42 HB1 ALA 8 HB1 ALA 8 18.099 -11.153 -8.319 43 HB2 ALA 8 HB2 ALA 8 19.738 -11.709 -8.727 44 HB3 ALA 8 HB3 ALA 8 19.303 -10.001 -8.923 45 H GLY 9 H GLY 9 18.375 -9.049 -11.739 46 HA2 GLY 9 HA2 GLY 9 16.729 -7.740 -12.749 47 HA3 GLY 9 HA3 GLY 9 15.558 -9.030 -12.485 48 H GLU 10 H GLU 10 14.172 -7.112 -12.080 49 HA GLU 10 HA GLU 10 14.516 -5.602 -9.613 50 HB2 GLU 10 HB2 GLU 10 12.518 -4.438 -10.235 51 HB3 GLU 10 HB3 GLU 10 13.601 -4.554 -11.613 52 HG2 GLU 10 HG2 GLU 10 12.253 -6.408 -12.544 53 HG3 GLU 10 HG3 GLU 10 11.171 -6.338 -11.144 54 HA PRO 11 HA PRO 11 12.289 -8.029 -6.726 55 HB2 PRO 11 HB2 PRO 11 10.589 -5.653 -6.001 56 HB3 PRO 11 HB3 PRO 11 11.511 -6.757 -4.936 57 HG2 PRO 11 HG2 PRO 11 12.503 -4.302 -5.529 58 HG3 PRO 11 HG3 PRO 11 13.579 -5.736 -5.532 59 HD2 PRO 11 HD2 PRO 11 12.284 -4.372 -7.901 60 HD3 PRO 11 HD3 PRO 11 13.964 -4.936 -7.696 61 H SER 12 H SER 12 10.681 -9.480 -6.757 62 HA SER 12 HA SER 12 8.840 -9.437 -8.986 63 HB2 SER 12 HB2 SER 12 8.469 -11.751 -8.443 64 HB3 SER 12 HB3 SER 12 10.190 -11.399 -8.323 65 HG SER 12 HG SER 12 9.648 -12.527 -6.508 66 H GLN 13 H GLN 13 6.619 -10.139 -8.925 67 HA GLN 13 HA GLN 13 4.870 -8.817 -7.096 68 HB2 GLN 13 HB2 GLN 13 3.112 -10.146 -8.038 69 HB3 GLN 13 HB3 GLN 13 4.164 -9.521 -9.304 70 HG2 GLN 13 HG2 GLN 13 5.276 -11.766 -9.456 71 HG3 GLN 13 HG3 GLN 13 4.204 -12.363 -8.189 72 HE21 GLN 13 HE21 GLN 13 4.199 -11.031 -11.543 73 HE22 GLN 13 HE22 GLN 13 2.675 -11.795 -11.972 74 H ALA 14 H ALA 14 6.691 -11.772 -6.730 75 HA ALA 14 HA ALA 14 5.015 -12.799 -4.540 76 HB1 ALA 14 HB1 ALA 14 6.093 -14.335 -6.143 77 HB2 ALA 14 HB2 ALA 14 7.698 -13.771 -5.616 78 HB3 ALA 14 HB3 ALA 14 6.637 -14.618 -4.483 79 H ASP 15 H ASP 15 8.106 -11.073 -4.881 80 HA ASP 15 HA ASP 15 8.717 -10.963 -2.063 81 HB2 ASP 15 HB2 ASP 15 10.375 -10.529 -3.879 82 HB3 ASP 15 HB3 ASP 15 9.499 -9.060 -4.293 83 H LEU 16 H LEU 16 6.795 -8.964 -4.164 84 HA LEU 16 HA LEU 16 5.955 -7.041 -2.173 85 HB2 LEU 16 HB2 LEU 16 4.764 -7.974 -4.826 86 HB3 LEU 16 HB3 LEU 16 4.001 -6.728 -3.846 87 HG LEU 16 HG LEU 16 6.910 -6.467 -4.702 88 HD11 LEU 16 HD11 LEU 16 4.435 -5.640 -6.278 89 HD12 LEU 16 HD12 LEU 16 5.691 -6.802 -6.781 90 HD13 LEU 16 HD13 LEU 16 6.089 -5.093 -6.624 91 HD21 LEU 16 HD21 LEU 16 6.090 -4.909 -2.983 92 HD22 LEU 16 HD22 LEU 16 4.734 -4.447 -4.040 93 HD23 LEU 16 HD23 LEU 16 6.407 -4.067 -4.513 94 H ASP 17 H ASP 17 4.357 -10.039 -3.393 95 HA ASP 17 HA ASP 17 2.111 -9.954 -1.742 96 HB2 ASP 17 HB2 ASP 17 2.498 -11.507 -3.638 97 HB3 ASP 17 HB3 ASP 17 3.646 -12.422 -2.656 98 H ALA 18 H ALA 18 5.334 -11.261 -0.942 99 HA ALA 18 HA ALA 18 4.647 -12.397 1.600 100 HB1 ALA 18 HB1 ALA 18 7.090 -12.418 1.952 101 HB2 ALA 18 HB2 ALA 18 6.665 -12.989 0.326 102 HB3 ALA 18 HB3 ALA 18 7.321 -11.338 0.567 103 H LEU 19 H LEU 19 5.748 -9.138 0.670 104 HA LEU 19 HA LEU 19 6.009 -8.185 3.407 105 HB2 LEU 19 HB2 LEU 19 7.471 -7.482 1.645 106 HB3 LEU 19 HB3 LEU 19 6.163 -6.824 0.681 107 HG LEU 19 HG LEU 19 6.602 -5.751 3.484 108 HD11 LEU 19 HD11 LEU 19 8.215 -4.936 1.025 109 HD12 LEU 19 HD12 LEU 19 8.846 -5.737 2.484 110 HD13 LEU 19 HD13 LEU 19 8.200 -4.095 2.584 111 HD21 LEU 19 HD21 LEU 19 5.732 -4.488 0.828 112 HD22 LEU 19 HD22 LEU 19 5.913 -3.636 2.367 113 HD23 LEU 19 HD23 LEU 19 4.672 -4.872 2.197 114 H LEU 20 H LEU 20 3.558 -7.869 0.843 115 HA LEU 20 HA LEU 20 1.891 -5.943 2.100 116 HB2 LEU 20 HB2 LEU 20 1.396 -8.113 0.100 117 HB3 LEU 20 HB3 LEU 20 0.120 -6.984 0.544 118 HG LEU 20 HG LEU 20 2.803 -5.992 -0.520 119 HD11 LEU 20 HD11 LEU 20 1.768 -5.783 -2.726 120 HD12 LEU 20 HD12 LEU 20 0.276 -6.563 -2.122 121 HD13 LEU 20 HD13 LEU 20 1.806 -7.477 -2.225 122 HD21 LEU 20 HD21 LEU 20 1.544 -3.996 -1.084 123 HD22 LEU 20 HD22 LEU 20 1.378 -4.331 0.642 124 HD23 LEU 20 HD23 LEU 20 0.046 -4.705 -0.472 125 H SER 21 H SER 21 1.875 -9.542 2.437 126 HA SER 21 HA SER 21 -0.446 -9.715 4.100 127 HB2 SER 21 HB2 SER 21 2.081 -11.414 4.002 128 HB3 SER 21 HB3 SER 21 0.669 -11.796 5.013 129 HG SER 21 HG SER 21 0.590 -12.842 2.980 130 H ALA 22 H ALA 22 2.897 -8.759 4.911 131 HA ALA 22 HA ALA 22 2.479 -8.981 7.771 132 HB1 ALA 22 HB1 ALA 22 4.705 -8.029 7.934 133 HB2 ALA 22 HB2 ALA 22 4.684 -9.260 6.662 134 HB3 ALA 22 HB3 ALA 22 4.677 -7.534 6.228 135 H VAL 23 H VAL 23 2.076 -6.352 5.384 136 HA VAL 23 HA VAL 23 1.532 -4.408 7.563 137 HB VAL 23 HB VAL 23 2.725 -3.541 5.742 138 HG11 VAL 23 HG11 VAL 23 1.831 -3.348 3.471 139 HG12 VAL 23 HG12 VAL 23 2.135 -5.000 3.965 140 HG13 VAL 23 HG13 VAL 23 0.456 -4.380 3.923 141 HG21 VAL 23 HG21 VAL 23 1.468 -1.594 5.189 142 HG22 VAL 23 HG22 VAL 23 -0.083 -2.420 5.483 143 HG23 VAL 23 HG23 VAL 23 1.012 -2.069 6.836 144 H ARG 24 H ARG 24 -0.326 -6.381 5.295 145 HA ARG 24 HA ARG 24 -2.916 -5.358 5.912 146 HB2 ARG 24 HB2 ARG 24 -2.395 -6.877 4.020 147 HB3 ARG 24 HB3 ARG 24 -2.017 -8.169 5.154 148 HG2 ARG 24 HG2 ARG 24 -4.153 -8.567 4.144 149 HG3 ARG 24 HG3 ARG 24 -4.413 -8.263 5.849 150 HD2 ARG 24 HD2 ARG 24 -4.760 -6.153 3.680 151 HD3 ARG 24 HD3 ARG 24 -6.060 -7.214 4.230 152 HE ARG 24 HE ARG 24 -5.140 -6.128 6.584 153 HH11 ARG 24 HH11 ARG 24 -6.273 -4.594 3.629 154 HH12 ARG 24 HH12 ARG 24 -6.649 -3.115 4.475 155 HH21 ARG 24 HH21 ARG 24 -5.667 -4.207 7.550 156 HH22 ARG 24 HH22 ARG 24 -6.300 -2.894 6.561 157 H ASP 25 H ASP 25 -0.900 -7.654 7.673 158 HA ASP 25 HA ASP 25 -2.952 -7.965 9.784 159 HB2 ASP 25 HB2 ASP 25 -1.708 -9.925 8.769 160 HB3 ASP 25 HB3 ASP 25 -0.256 -9.341 9.575 161 H ASN 26 H ASN 26 -1.131 -5.502 9.242 162 HA ASN 26 HA ASN 26 -0.079 -3.893 10.301 163 HB2 ASN 26 HB2 ASN 26 -1.053 -3.050 12.288 164 HB3 ASN 26 HB3 ASN 26 -2.308 -3.710 11.255 165 HD21 ASN 26 HD21 ASN 26 -0.226 -4.741 14.022 166 HD22 ASN 26 HD22 ASN 26 -1.534 -5.604 14.836 167 H ARG 27 H ARG 27 1.384 -6.368 10.346 168 HA ARG 27 HA ARG 27 3.162 -6.109 12.705 169 HB2 ARG 27 HB2 ARG 27 3.645 -7.777 10.216 170 HB3 ARG 27 HB3 ARG 27 4.367 -7.977 11.806 171 HG2 ARG 27 HG2 ARG 27 1.475 -8.566 11.027 172 HG3 ARG 27 HG3 ARG 27 2.747 -9.741 11.339 173 HD2 ARG 27 HD2 ARG 27 2.857 -9.123 13.687 174 HD3 ARG 27 HD3 ARG 27 1.693 -7.810 13.431 175 HE ARG 27 HE ARG 27 0.377 -10.048 12.470 176 HH11 ARG 27 HH11 ARG 27 1.654 -9.272 15.644 177 HH12 ARG 27 HH12 ARG 27 0.440 -10.257 16.436 178 HH21 ARG 27 HH21 ARG 27 -1.048 -11.174 13.431 179 HH22 ARG 27 HH22 ARG 27 -1.109 -11.337 15.186 180 H LEU 28 H LEU 28 2.977 -4.954 9.426 181 HA LEU 28 HA LEU 28 5.702 -3.721 9.599 182 HB2 LEU 28 HB2 LEU 28 5.085 -5.711 7.982 183 HB3 LEU 28 HB3 LEU 28 4.206 -4.504 7.081 184 HG LEU 28 HG LEU 28 6.278 -4.873 6.024 185 HD11 LEU 28 HD11 LEU 28 5.535 -2.497 6.228 186 HD12 LEU 28 HD12 LEU 28 7.266 -2.762 5.871 187 HD13 LEU 28 HD13 LEU 28 6.750 -2.336 7.514 188 HD21 LEU 28 HD21 LEU 28 7.538 -5.828 7.968 189 HD22 LEU 28 HD22 LEU 28 7.699 -4.189 8.638 190 HD23 LEU 28 HD23 LEU 28 8.467 -4.579 7.102 191 H SER 29 H SER 29 5.825 -1.534 9.243 192 HA SER 29 HA SER 29 3.313 0.008 9.286 193 HB2 SER 29 HB2 SER 29 6.169 0.989 9.384 194 HB3 SER 29 HB3 SER 29 4.720 1.943 9.728 195 HG SER 29 HG SER 29 4.286 0.584 11.508 196 H ILE 30 H ILE 30 2.864 1.846 7.885 197 HA ILE 30 HA ILE 30 3.058 1.373 5.076 198 HB ILE 30 HB ILE 30 2.621 3.982 6.576 199 HG12 ILE 30 HG12 ILE 30 0.951 2.322 7.261 200 HG13 ILE 30 HG13 ILE 30 0.247 3.660 6.377 201 HG21 ILE 30 HG21 ILE 30 3.138 4.535 4.301 202 HG22 ILE 30 HG22 ILE 30 2.071 3.275 3.675 203 HG23 ILE 30 HG23 ILE 30 1.387 4.687 4.499 204 HD11 ILE 30 HD11 ILE 30 -0.783 1.545 5.731 205 HD12 ILE 30 HD12 ILE 30 0.026 2.285 4.360 206 HD13 ILE 30 HD13 ILE 30 0.778 0.905 5.194 207 H GLU 31 H GLU 31 5.008 3.662 7.087 208 HA GLU 31 HA GLU 31 6.640 4.492 4.880 209 HB2 GLU 31 HB2 GLU 31 7.089 4.670 7.886 210 HB3 GLU 31 HB3 GLU 31 8.102 5.462 6.669 211 HG2 GLU 31 HG2 GLU 31 6.142 6.711 5.816 212 HG3 GLU 31 HG3 GLU 31 5.120 5.973 7.043 213 H GLN 32 H GLN 32 6.999 1.824 7.192 214 HA GLN 32 HA GLN 32 9.732 1.120 6.538 215 HB2 GLN 32 HB2 GLN 32 7.376 -0.347 7.728 216 HB3 GLN 32 HB3 GLN 32 8.954 -1.117 7.497 217 HG2 GLN 32 HG2 GLN 32 9.973 0.532 9.025 218 HG3 GLN 32 HG3 GLN 32 8.405 1.326 9.234 219 HE21 GLN 32 HE21 GLN 32 9.721 0.409 11.508 220 HE22 GLN 32 HE22 GLN 32 8.840 -0.984 12.128 221 H ALA 33 H ALA 33 6.502 0.012 5.358 222 HA ALA 33 HA ALA 33 7.516 -1.859 3.466 223 HB1 ALA 33 HB1 ALA 33 5.183 -1.473 2.427 224 HB2 ALA 33 HB2 ALA 33 5.242 -2.039 4.111 225 HB3 ALA 33 HB3 ALA 33 4.913 -0.323 3.748 226 H VAL 34 H VAL 34 7.200 1.663 3.216 227 HA VAL 34 HA VAL 34 7.729 1.740 0.340 228 HB VAL 34 HB VAL 34 7.752 3.890 2.489 229 HG11 VAL 34 HG11 VAL 34 7.691 5.507 0.583 230 HG12 VAL 34 HG12 VAL 34 9.243 4.676 0.722 231 HG13 VAL 34 HG13 VAL 34 8.083 4.174 -0.526 232 HG21 VAL 34 HG21 VAL 34 5.511 2.865 1.861 233 HG22 VAL 34 HG22 VAL 34 5.651 4.587 1.489 234 HG23 VAL 34 HG23 VAL 34 5.800 3.361 0.213 235 H THR 35 H THR 35 9.736 2.053 3.324 236 HA THR 35 HA THR 35 12.086 2.677 1.768 237 HB THR 35 HB THR 35 11.582 3.304 4.210 238 HG1 THR 35 HG1 THR 35 13.773 3.597 4.482 239 HG21 THR 35 HG21 THR 35 11.492 0.996 5.168 240 HG22 THR 35 HG22 THR 35 12.731 2.006 5.905 241 HG23 THR 35 HG23 THR 35 13.206 0.777 4.722 242 H LEU 36 H LEU 36 10.757 -0.370 2.887 243 HA LEU 36 HA LEU 36 13.091 -1.939 2.076 244 HB2 LEU 36 HB2 LEU 36 10.249 -2.714 2.815 245 HB3 LEU 36 HB3 LEU 36 11.558 -3.859 2.557 246 HG LEU 36 HG LEU 36 11.412 -1.783 4.781 247 HD11 LEU 36 HD11 LEU 36 11.193 -3.738 6.244 248 HD12 LEU 36 HD12 LEU 36 11.264 -4.824 4.835 249 HD13 LEU 36 HD13 LEU 36 9.891 -3.705 5.035 250 HD21 LEU 36 HD21 LEU 36 13.745 -2.056 4.191 251 HD22 LEU 36 HD22 LEU 36 13.566 -3.830 4.172 252 HD23 LEU 36 HD23 LEU 36 13.429 -2.924 5.691 253 H LEU 37 H LEU 37 10.394 -0.650 0.361 254 HA LEU 37 HA LEU 37 10.114 -2.667 -1.678 255 HB2 LEU 37 HB2 LEU 37 8.290 -1.232 -1.113 256 HB3 LEU 37 HB3 LEU 37 9.261 0.219 -1.339 257 HG LEU 37 HG LEU 37 9.310 -0.267 -3.818 258 HD11 LEU 37 HD11 LEU 37 7.085 -2.203 -3.075 259 HD12 LEU 37 HD12 LEU 37 8.678 -2.693 -3.706 260 HD13 LEU 37 HD13 LEU 37 7.575 -1.725 -4.709 261 HD21 LEU 37 HD21 LEU 37 7.851 1.394 -2.800 262 HD22 LEU 37 HD22 LEU 37 6.675 0.145 -2.404 263 HD23 LEU 37 HD23 LEU 37 6.994 0.540 -4.109 264 H THR 38 H THR 38 12.001 0.340 -1.542 265 HA THR 38 HA THR 38 13.168 1.550 -3.073 266 HB THR 38 HB THR 38 13.913 -1.061 -4.406 267 HG1 THR 38 HG1 THR 38 15.644 -1.050 -3.016 268 HG21 THR 38 HG21 THR 38 15.296 1.660 -4.251 269 HG22 THR 38 HG22 THR 38 14.560 0.971 -5.710 270 HG23 THR 38 HG23 THR 38 15.984 0.207 -4.996 271 HA PRO 39 HA PRO 39 9.347 1.233 -5.695 272 HB2 PRO 39 HB2 PRO 39 8.785 3.969 -5.771 273 HB3 PRO 39 HB3 PRO 39 8.186 2.820 -4.555 274 HG2 PRO 39 HG2 PRO 39 10.592 4.645 -4.391 275 HG3 PRO 39 HG3 PRO 39 9.353 4.358 -3.138 276 HD2 PRO 39 HD2 PRO 39 11.746 3.128 -3.037 277 HD3 PRO 39 HD3 PRO 39 10.265 2.210 -2.633 278 H ARG 40 H ARG 40 9.164 1.323 -7.825 279 HA ARG 40 HA ARG 40 11.303 2.650 -9.434 280 HB2 ARG 40 HB2 ARG 40 9.359 0.398 -10.122 281 HB3 ARG 40 HB3 ARG 40 10.484 1.149 -11.251 282 HG2 ARG 40 HG2 ARG 40 11.816 -0.587 -10.633 283 HG3 ARG 40 HG3 ARG 40 12.287 0.552 -9.384 284 HD2 ARG 40 HD2 ARG 40 11.962 -1.399 -8.177 285 HD3 ARG 40 HD3 ARG 40 10.404 -0.585 -7.938 286 HE ARG 40 HE ARG 40 10.479 -2.406 -10.257 287 HH11 ARG 40 HH11 ARG 40 10.002 -2.455 -6.769 288 HH12 ARG 40 HH12 ARG 40 9.209 -4.005 -6.846 289 HH21 ARG 40 HH21 ARG 40 9.621 -4.277 -10.262 290 HH22 ARG 40 HH22 ARG 40 9.210 -5.158 -8.799 291 H ARG 41 H ARG 41 8.111 3.213 -8.620 292 HA ARG 41 HA ARG 41 6.491 4.672 -9.159 293 HB2 ARG 41 HB2 ARG 41 8.614 6.227 -10.650 294 HB3 ARG 41 HB3 ARG 41 7.078 6.846 -10.088 295 HG2 ARG 41 HG2 ARG 41 9.345 5.843 -8.314 296 HG3 ARG 41 HG3 ARG 41 8.990 7.525 -8.674 297 HD2 ARG 41 HD2 ARG 41 7.108 5.626 -7.204 298 HD3 ARG 41 HD3 ARG 41 8.205 6.754 -6.427 299 HE ARG 41 HE ARG 41 5.642 7.364 -7.684 300 HH11 ARG 41 HH11 ARG 41 8.674 8.901 -6.760 301 HH12 ARG 41 HH12 ARG 41 7.927 10.469 -6.688 302 HH21 ARG 41 HH21 ARG 41 4.793 9.314 -7.521 303 HH22 ARG 41 HH22 ARG 41 5.770 10.716 -7.144 304 H GLY 42 H GLY 42 8.324 4.235 -12.163 305 HA2 GLY 42 HA2 GLY 42 7.690 3.669 -14.295 306 HA3 GLY 42 HA3 GLY 42 6.471 2.700 -13.506 307 H GLY 43 H GLY 43 4.625 2.971 -14.662 308 HA2 GLY 43 HA2 GLY 43 2.869 3.967 -15.810 309 HA3 GLY 43 HA3 GLY 43 3.201 5.435 -14.886 310 H GLY 44 H GLY 44 3.104 6.991 -16.423 311 HA2 GLY 44 HA2 GLY 44 4.416 6.835 -19.036 312 HA3 GLY 44 HA3 GLY 44 3.573 8.221 -18.348 313 H SER 45 H SER 45 6.375 6.299 -17.189 314 HA SER 45 HA SER 45 8.303 6.889 -16.147 315 HB2 SER 45 HB2 SER 45 8.472 8.980 -18.337 316 HB3 SER 45 HB3 SER 45 9.807 8.454 -17.291 317 HG SER 45 HG SER 45 9.765 7.348 -19.322 318 H GLY 46 H GLY 46 6.393 7.593 -14.651 319 HA2 GLY 46 HA2 GLY 46 6.247 9.005 -12.667 320 HA3 GLY 46 HA3 GLY 46 6.779 10.382 -13.628 321 H GLY 47 H GLY 47 4.773 11.207 -12.509 322 HA2 GLY 47 HA2 GLY 47 2.691 12.174 -12.828 323 HA3 GLY 47 HA3 GLY 47 2.556 11.356 -14.382 324 H GLY 48 H GLY 48 0.266 11.321 -13.529 325 HA2 GLY 48 HA2 GLY 48 -1.567 10.062 -12.972 326 HA3 GLY 48 HA3 GLY 48 -0.493 8.676 -12.780 327 H SER 49 H SER 49 0.384 11.240 -10.718 328 HA SER 49 HA SER 49 0.600 11.341 -8.471 329 HB2 SER 49 HB2 SER 49 -2.392 10.821 -8.494 330 HB3 SER 49 HB3 SER 49 -1.466 11.559 -7.173 331 HG SER 49 HG SER 49 -2.462 13.114 -8.550 332 H MET 50 H MET 50 1.321 8.824 -9.435 333 HA MET 50 HA MET 50 0.515 6.852 -7.375 334 HB2 MET 50 HB2 MET 50 2.305 6.699 -9.820 335 HB3 MET 50 HB3 MET 50 2.024 5.354 -8.694 336 HG2 MET 50 HG2 MET 50 -0.433 5.553 -9.176 337 HG3 MET 50 HG3 MET 50 -0.049 6.712 -10.447 338 HE1 MET 50 HE1 MET 50 1.262 6.126 -12.659 339 HE2 MET 50 HE2 MET 50 2.647 5.436 -11.783 340 HE3 MET 50 HE3 MET 50 1.863 4.505 -13.075 341 H ASP 51 H ASP 51 1.506 6.899 -5.512 342 HA ASP 51 HA ASP 51 4.456 6.794 -5.411 343 HB2 ASP 51 HB2 ASP 51 3.916 9.138 -4.837 344 HB3 ASP 51 HB3 ASP 51 2.861 8.560 -3.534 345 H ALA 52 H ALA 52 5.227 5.477 -3.797 346 HA ALA 52 HA ALA 52 3.585 3.224 -3.244 347 HB1 ALA 52 HB1 ALA 52 5.973 3.055 -3.609 348 HB2 ALA 52 HB2 ALA 52 6.303 3.985 -2.126 349 HB3 ALA 52 HB3 ALA 52 5.546 2.383 -2.023 350 H LYS 53 H LYS 53 4.291 6.051 -1.189 351 HA LYS 53 HA LYS 53 3.322 4.931 1.292 352 HB2 LYS 53 HB2 LYS 53 4.728 7.040 0.908 353 HB3 LYS 53 HB3 LYS 53 3.262 7.869 0.428 354 HG2 LYS 53 HG2 LYS 53 3.621 6.435 3.086 355 HG3 LYS 53 HG3 LYS 53 4.087 8.114 2.846 356 HD2 LYS 53 HD2 LYS 53 1.829 8.839 2.527 357 HD3 LYS 53 HD3 LYS 53 1.230 7.177 2.411 358 HE2 LYS 53 HE2 LYS 53 2.169 6.794 4.757 359 HE3 LYS 53 HE3 LYS 53 2.330 8.548 4.869 360 HZ1 LYS 53 HZ1 LYS 53 -0.210 7.089 4.301 361 HZ2 LYS 53 HZ2 LYS 53 -0.076 8.711 4.441 362 HZ3 LYS 53 HZ3 LYS 53 0.176 7.758 5.742 363 H GLU 54 H GLU 54 1.740 6.932 -1.180 364 HA GLU 54 HA GLU 54 -0.895 6.860 -0.044 365 HB2 GLU 54 HB2 GLU 54 -0.040 8.451 -1.800 366 HB3 GLU 54 HB3 GLU 54 -0.120 7.135 -2.975 367 HG2 GLU 54 HG2 GLU 54 -2.070 8.471 -3.261 368 HG3 GLU 54 HG3 GLU 54 -2.598 6.969 -2.522 369 H ILE 55 H ILE 55 0.686 4.731 -2.452 370 HA ILE 55 HA ILE 55 -1.537 3.043 -2.990 371 HB ILE 55 HB ILE 55 1.444 2.541 -3.119 372 HG12 ILE 55 HG12 ILE 55 -0.460 2.910 -5.470 373 HG13 ILE 55 HG13 ILE 55 0.213 4.317 -4.667 374 HG21 ILE 55 HG21 ILE 55 0.740 0.640 -4.716 375 HG22 ILE 55 HG22 ILE 55 0.461 0.353 -2.991 376 HG23 ILE 55 HG23 ILE 55 -0.871 0.834 -4.058 377 HD11 ILE 55 HD11 ILE 55 2.502 3.612 -5.181 378 HD12 ILE 55 HD12 ILE 55 1.921 2.111 -5.894 379 HD13 ILE 55 HD13 ILE 55 1.528 3.666 -6.652 380 H LEU 56 H LEU 56 1.095 2.605 -0.533 381 HA LEU 56 HA LEU 56 -0.067 0.244 0.621 382 HB2 LEU 56 HB2 LEU 56 2.014 2.244 1.435 383 HB3 LEU 56 HB3 LEU 56 1.247 1.334 2.723 384 HG LEU 56 HG LEU 56 3.244 0.264 2.276 385 HD11 LEU 56 HD11 LEU 56 2.590 -1.986 1.776 386 HD12 LEU 56 HD12 LEU 56 1.153 -1.465 0.882 387 HD13 LEU 56 HD13 LEU 56 1.237 -1.207 2.637 388 HD21 LEU 56 HD21 LEU 56 3.773 1.044 0.080 389 HD22 LEU 56 HD22 LEU 56 2.433 0.084 -0.625 390 HD23 LEU 56 HD23 LEU 56 3.843 -0.719 0.114 391 H THR 57 H THR 57 -0.563 3.710 1.357 392 HA THR 57 HA THR 57 -2.179 3.331 3.683 393 HB THR 57 HB THR 57 -2.287 5.627 1.672 394 HG1 THR 57 HG1 THR 57 -0.248 5.327 2.584 395 HG21 THR 57 HG21 THR 57 -3.085 6.945 3.608 396 HG22 THR 57 HG22 THR 57 -3.165 5.455 4.580 397 HG23 THR 57 HG23 THR 57 -4.231 5.671 3.175 398 H ARG 58 H ARG 58 -3.181 3.615 0.218 399 HA ARG 58 HA ARG 58 -5.999 3.173 0.777 400 HB2 ARG 58 HB2 ARG 58 -4.414 2.740 -1.783 401 HB3 ARG 58 HB3 ARG 58 -6.170 2.607 -1.612 402 HG2 ARG 58 HG2 ARG 58 -6.261 5.008 -0.887 403 HG3 ARG 58 HG3 ARG 58 -4.535 5.129 -1.241 404 HD2 ARG 58 HD2 ARG 58 -5.690 5.915 -3.197 405 HD3 ARG 58 HD3 ARG 58 -5.051 4.322 -3.602 406 HE ARG 58 HE ARG 58 -7.234 3.396 -3.585 407 HH11 ARG 58 HH11 ARG 58 -7.456 6.810 -2.846 408 HH12 ARG 58 HH12 ARG 58 -9.191 6.821 -3.036 409 HH21 ARG 58 HH21 ARG 58 -9.393 3.443 -3.706 410 HH22 ARG 58 HH22 ARG 58 -10.261 4.959 -3.584 411 H PHE 59 H PHE 59 -3.362 0.872 -0.118 412 HA PHE 59 HA PHE 59 -5.004 -1.454 -0.269 413 HB2 PHE 59 HB2 PHE 59 -2.740 -1.469 -1.094 414 HB3 PHE 59 HB3 PHE 59 -2.097 -1.065 0.495 415 HD1 PHE 59 HD2 PHE 59 -4.101 -3.735 -1.270 416 HD2 PHE 59 HD1 PHE 59 -1.408 -2.784 1.968 417 HE1 PHE 59 HE2 PHE 59 -3.994 -6.129 -0.646 418 HE2 PHE 59 HE1 PHE 59 -1.282 -5.191 2.557 419 HZ PHE 59 HZ PHE 59 -2.582 -6.864 1.268 420 H LYS 60 H LYS 60 -3.295 -0.035 2.584 421 HA LYS 60 HA LYS 60 -4.231 -2.082 4.343 422 HB2 LYS 60 HB2 LYS 60 -2.213 -0.584 4.672 423 HB3 LYS 60 HB3 LYS 60 -3.332 0.693 5.185 424 HG2 LYS 60 HG2 LYS 60 -4.169 -0.834 6.999 425 HG3 LYS 60 HG3 LYS 60 -3.054 -2.092 6.440 426 HD2 LYS 60 HD2 LYS 60 -1.131 -0.583 6.941 427 HD3 LYS 60 HD3 LYS 60 -2.280 0.642 7.544 428 HE2 LYS 60 HE2 LYS 60 -3.104 -1.009 9.221 429 HE3 LYS 60 HE3 LYS 60 -1.898 -2.178 8.650 430 HZ1 LYS 60 HZ1 LYS 60 -1.130 -0.912 10.616 431 HZ2 LYS 60 HZ2 LYS 60 -1.264 0.493 9.808 432 HZ3 LYS 60 HZ3 LYS 60 -0.164 -0.617 9.332 433 H ASP 61 H ASP 61 -5.563 1.129 3.564 434 HA ASP 61 HA ASP 61 -7.779 0.989 5.397 435 HB2 ASP 61 HB2 ASP 61 -6.836 3.061 4.418 436 HB3 ASP 61 HB3 ASP 61 -7.433 2.571 2.833 437 H GLY 62 H GLY 62 -7.264 -0.604 2.350 438 HA2 GLY 62 HA2 GLY 62 -8.606 -2.256 1.374 439 HA3 GLY 62 HA3 GLY 62 -9.994 -1.764 2.338 440 H GLY 63 H GLY 63 -8.444 0.891 0.833 441 HA2 GLY 63 HA2 GLY 63 -10.587 1.321 -1.149 442 HA3 GLY 63 HA3 GLY 63 -9.271 2.418 -0.722 443 H LEU 64 H LEU 64 -7.832 -0.532 -1.273 444 HA LEU 64 HA LEU 64 -7.658 -0.354 -4.217 445 HB2 LEU 64 HB2 LEU 64 -5.855 1.064 -3.077 446 HB3 LEU 64 HB3 LEU 64 -5.234 -0.429 -2.379 447 HG LEU 64 HG LEU 64 -4.893 -1.250 -4.778 448 HD11 LEU 64 HD11 LEU 64 -4.750 0.536 -6.497 449 HD12 LEU 64 HD12 LEU 64 -5.419 1.700 -5.336 450 HD13 LEU 64 HD13 LEU 64 -6.411 0.342 -5.926 451 HD21 LEU 64 HD21 LEU 64 -3.068 -0.352 -3.356 452 HD22 LEU 64 HD22 LEU 64 -3.453 1.287 -3.918 453 HD23 LEU 64 HD23 LEU 64 -2.856 0.074 -5.068 454 H ASP 65 H ASP 65 -7.380 -2.358 -5.188 455 HA ASP 65 HA ASP 65 -7.619 -4.759 -3.560 456 HB2 ASP 65 HB2 ASP 65 -7.078 -4.586 -6.535 457 HB3 ASP 65 HB3 ASP 65 -7.715 -5.957 -5.640 458 H ARG 66 H ARG 66 -6.144 -6.552 -3.533 459 HA ARG 66 HA ARG 66 -3.396 -5.913 -3.051 460 HB2 ARG 66 HB2 ARG 66 -4.802 -7.888 -2.190 461 HB3 ARG 66 HB3 ARG 66 -4.523 -8.652 -3.759 462 HG2 ARG 66 HG2 ARG 66 -2.041 -8.544 -3.306 463 HG3 ARG 66 HG3 ARG 66 -2.390 -7.811 -1.732 464 HD2 ARG 66 HD2 ARG 66 -3.829 -9.849 -1.212 465 HD3 ARG 66 HD3 ARG 66 -3.254 -10.559 -2.723 466 HE ARG 66 HE ARG 66 -1.103 -10.873 -1.812 467 HH11 ARG 66 HH11 ARG 66 -3.140 -9.403 0.671 468 HH12 ARG 66 HH12 ARG 66 -2.020 -9.892 1.923 469 HH21 ARG 66 HH21 ARG 66 0.133 -11.418 -0.271 470 HH22 ARG 66 HH22 ARG 66 -0.188 -11.069 1.417 471 H ALA 67 H ALA 67 -4.936 -7.324 -5.914 472 HA ALA 67 HA ALA 67 -2.618 -7.703 -7.521 473 HB1 ALA 67 HB1 ALA 67 -5.504 -7.045 -8.277 474 HB2 ALA 67 HB2 ALA 67 -4.272 -7.699 -9.380 475 HB3 ALA 67 HB3 ALA 67 -4.833 -8.673 -8.005 476 H ALA 68 H ALA 68 -4.756 -4.840 -7.182 477 HA ALA 68 HA ALA 68 -3.326 -3.217 -9.098 478 HB1 ALA 68 HB1 ALA 68 -5.199 -2.441 -6.810 479 HB2 ALA 68 HB2 ALA 68 -4.682 -1.382 -8.141 480 HB3 ALA 68 HB3 ALA 68 -5.685 -2.806 -8.474 481 H ALA 69 H ALA 69 -3.059 -3.569 -5.507 482 HA ALA 69 HA ALA 69 -1.090 -1.580 -5.121 483 HB1 ALA 69 HB1 ALA 69 -1.456 -4.178 -3.578 484 HB2 ALA 69 HB2 ALA 69 -0.644 -2.708 -3.011 485 HB3 ALA 69 HB3 ALA 69 -2.388 -2.686 -3.324 486 H GLN 70 H GLN 70 -0.619 -5.104 -5.774 487 HA GLN 70 HA GLN 70 2.219 -5.024 -5.896 488 HB2 GLN 70 HB2 GLN 70 0.225 -6.837 -7.302 489 HB3 GLN 70 HB3 GLN 70 1.980 -7.104 -7.288 490 HG2 GLN 70 HG2 GLN 70 2.026 -7.434 -4.929 491 HG3 GLN 70 HG3 GLN 70 0.364 -6.909 -4.712 492 HE21 GLN 70 HE21 GLN 70 2.370 -9.735 -5.412 493 HE22 GLN 70 HE22 GLN 70 1.004 -10.786 -5.731 494 H ALA 71 H ALA 71 -0.164 -4.432 -8.516 495 HA ALA 71 HA ALA 71 1.728 -4.075 -10.634 496 HB1 ALA 71 HB1 ALA 71 -1.044 -2.840 -10.251 497 HB2 ALA 71 HB2 ALA 71 -0.149 -2.943 -11.777 498 HB3 ALA 71 HB3 ALA 71 -0.705 -4.422 -10.977 499 H LEU 72 H LEU 72 0.077 -1.570 -8.634 500 HA LEU 72 HA LEU 72 1.471 0.636 -9.780 501 HB2 LEU 72 HB2 LEU 72 -0.238 0.158 -7.318 502 HB3 LEU 72 HB3 LEU 72 0.486 1.720 -7.609 503 HG LEU 72 HG LEU 72 -0.794 2.280 -9.383 504 HD11 LEU 72 HD11 LEU 72 -2.255 0.862 -10.718 505 HD12 LEU 72 HD12 LEU 72 -1.674 -0.581 -9.875 506 HD13 LEU 72 HD13 LEU 72 -0.573 0.378 -10.881 507 HD21 LEU 72 HD21 LEU 72 -2.614 0.415 -7.811 508 HD22 LEU 72 HD22 LEU 72 -3.125 1.857 -8.708 509 HD23 LEU 72 HD23 LEU 72 -2.112 2.039 -7.263 510 H LEU 73 H LEU 73 2.283 -1.336 -6.898 511 HA LEU 73 HA LEU 73 4.410 0.422 -6.002 512 HB2 LEU 73 HB2 LEU 73 3.812 -2.536 -5.539 513 HB3 LEU 73 HB3 LEU 73 5.160 -1.697 -4.780 514 HG LEU 73 HG LEU 73 2.262 -0.847 -4.462 515 HD11 LEU 73 HD11 LEU 73 2.616 -3.075 -3.474 516 HD12 LEU 73 HD12 LEU 73 2.343 -1.846 -2.225 517 HD13 LEU 73 HD13 LEU 73 3.993 -2.446 -2.541 518 HD21 LEU 73 HD21 LEU 73 4.016 0.938 -4.018 519 HD22 LEU 73 HD22 LEU 73 4.563 -0.089 -2.674 520 HD23 LEU 73 HD23 LEU 73 2.915 0.557 -2.701 521 H ALA 74 H ALA 74 4.353 -2.294 -8.282 522 HA ALA 74 HA ALA 74 7.189 -2.085 -8.856 523 HB1 ALA 74 HB1 ALA 74 5.982 -4.200 -9.131 524 HB2 ALA 74 HB2 ALA 74 4.939 -3.458 -10.370 525 HB3 ALA 74 HB3 ALA 74 6.679 -3.668 -10.673 526 H GLY 75 H GLY 75 4.501 -0.139 -9.674 527 HA2 GLY 75 HA2 GLY 75 4.399 1.786 -10.938 528 HA3 GLY 75 HA3 GLY 75 6.008 1.462 -11.595 529 H ARG 76 H ARG 76 3.592 -1.058 -11.860 530 HA ARG 76 HA ARG 76 3.313 -0.564 -14.811 531 HB2 ARG 76 HB2 ARG 76 2.575 -3.099 -13.321 532 HB3 ARG 76 HB3 ARG 76 2.772 -2.870 -15.054 533 HG2 ARG 76 HG2 ARG 76 4.944 -2.937 -12.933 534 HG3 ARG 76 HG3 ARG 76 4.631 -4.159 -14.151 535 HD2 ARG 76 HD2 ARG 76 5.900 -3.113 -15.705 536 HD3 ARG 76 HD3 ARG 76 5.149 -1.552 -15.406 537 HE ARG 76 HE ARG 76 6.697 -1.067 -13.683 538 HH11 ARG 76 HH11 ARG 76 7.671 -4.097 -15.230 539 HH12 ARG 76 HH12 ARG 76 9.194 -4.084 -14.343 540 HH21 ARG 76 HH21 ARG 76 8.449 -1.349 -12.500 541 HH22 ARG 76 HH22 ARG 76 9.568 -2.646 -12.823 542 H THR 77 H THR 77 1.216 -0.869 -15.792 543 HA THR 77 HA THR 77 -1.002 0.145 -14.158 544 HB THR 77 HB THR 77 -2.330 -0.143 -16.289 545 HG1 THR 77 HG1 THR 77 -1.110 -0.388 -18.171 546 HG21 THR 77 HG21 THR 77 -1.366 2.030 -15.598 547 HG22 THR 77 HG22 THR 77 -1.332 1.831 -17.358 548 HG23 THR 77 HG23 THR 77 0.164 1.614 -16.425 549 HA PRO 78 HA PRO 78 -2.559 -3.857 -13.033 550 HB2 PRO 78 HB2 PRO 78 -5.314 -2.691 -13.287 551 HB3 PRO 78 HB3 PRO 78 -4.592 -3.608 -11.925 552 HG2 PRO 78 HG2 PRO 78 -4.818 -0.921 -11.742 553 HG3 PRO 78 HG3 PRO 78 -3.306 -1.731 -11.229 554 HD2 PRO 78 HD2 PRO 78 -3.876 -0.348 -13.881 555 HD3 PRO 78 HD3 PRO 78 -2.471 -0.168 -12.787 556 H ALA 79 H ALA 79 -3.356 -5.749 -13.924 557 HA ALA 79 HA ALA 79 -3.940 -5.833 -16.778 558 HB1 ALA 79 HB1 ALA 79 -4.017 -8.264 -16.420 559 HB2 ALA 79 HB2 ALA 79 -2.583 -7.561 -15.661 560 HB3 ALA 79 HB3 ALA 79 -3.970 -8.019 -14.657 561 H ALA 80 H ALA 80 -5.843 -6.774 -17.726 562 HA ALA 80 HA ALA 80 -8.325 -6.866 -16.128 563 HB1 ALA 80 HB1 ALA 80 -9.479 -5.310 -17.665 564 HB2 ALA 80 HB2 ALA 80 -8.134 -4.498 -16.822 565 HB3 ALA 80 HB3 ALA 80 -7.954 -5.001 -18.518 566 H ALA 81 H ALA 81 -10.069 -7.879 -17.171 567 HA ALA 81 HA ALA 81 -9.749 -8.989 -19.862 568 HB1 ALA 81 HB1 ALA 81 -8.768 -10.762 -18.452 569 HB2 ALA 81 HB2 ALA 81 -10.222 -10.764 -17.426 570 HB3 ALA 81 HB3 ALA 81 -10.321 -11.306 -19.112 571 HA PRO 82 HA PRO 82 -14.098 -8.030 -19.669 572 HB2 PRO 82 HB2 PRO 82 -14.980 -8.874 -22.111 573 HB3 PRO 82 HB3 PRO 82 -13.740 -7.603 -21.952 574 HG2 PRO 82 HG2 PRO 82 -13.276 -10.584 -22.368 575 HG3 PRO 82 HG3 PRO 82 -12.635 -9.223 -23.346 576 HD2 PRO 82 HD2 PRO 82 -11.181 -10.337 -21.332 577 HD3 PRO 82 HD3 PRO 82 -11.138 -8.579 -21.644 578 H ARG 83 H ARG 83 -13.194 -10.812 -18.679 579 HA ARG 83 HA ARG 83 -15.411 -12.605 -19.199 580 HB2 ARG 83 HB2 ARG 83 -14.264 -14.162 -17.726 581 HB3 ARG 83 HB3 ARG 83 -13.117 -13.422 -18.834 582 HG2 ARG 83 HG2 ARG 83 -12.395 -11.869 -17.001 583 HG3 ARG 83 HG3 ARG 83 -13.524 -12.678 -15.901 584 HD2 ARG 83 HD2 ARG 83 -12.337 -14.825 -16.286 585 HD3 ARG 83 HD3 ARG 83 -11.192 -13.974 -17.367 586 HE ARG 83 HE ARG 83 -11.226 -12.629 -14.857 587 HH11 ARG 83 HH11 ARG 83 -10.161 -15.739 -16.075 588 HH12 ARG 83 HH12 ARG 83 -8.943 -15.904 -14.831 589 HH21 ARG 83 HH21 ARG 83 -9.649 -12.906 -13.321 590 HH22 ARG 83 HH22 ARG 83 -8.667 -14.349 -13.327 591 HA PRO 84 HA PRO 84 -18.184 -11.381 -15.938 592 HB2 PRO 84 HB2 PRO 84 -19.543 -13.684 -15.389 593 HB3 PRO 84 HB3 PRO 84 -19.750 -12.774 -16.907 594 HG2 PRO 84 HG2 PRO 84 -17.976 -15.194 -16.429 595 HG3 PRO 84 HG3 PRO 84 -19.138 -14.910 -17.769 596 HD2 PRO 84 HD2 PRO 84 -16.475 -14.438 -18.035 597 HD3 PRO 84 HD3 PRO 84 -17.690 -13.381 -18.816 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 27.289 3.920 3.349 2 H2 GLY 1 H2 GLY 1 28.330 2.879 4.088 3 H3 GLY 1 H3 GLY 1 27.726 4.158 4.903 4 HA2 GLY 1 HA2 GLY 1 25.499 3.253 4.817 5 HA3 GLY 1 HA3 GLY 1 26.163 1.874 3.912 6 HA PRO 2 HA PRO 2 26.080 0.844 8.471 7 HB2 PRO 2 HB2 PRO 2 24.957 -1.718 7.393 8 HB3 PRO 2 HB3 PRO 2 24.464 -0.782 8.829 9 HG2 PRO 2 HG2 PRO 2 22.998 -0.728 6.540 10 HG3 PRO 2 HG3 PRO 2 23.252 0.773 7.494 11 HD2 PRO 2 HD2 PRO 2 24.726 -0.149 5.007 12 HD3 PRO 2 HD3 PRO 2 24.048 1.464 5.382 13 H GLY 3 H GLY 3 27.296 -0.848 9.629 14 HA2 GLY 3 HA2 GLY 3 29.837 -1.480 8.497 15 HA3 GLY 3 HA3 GLY 3 29.186 -2.130 10.002 16 H SER 4 H SER 4 30.546 -3.144 7.303 17 HA SER 4 HA SER 4 30.560 -4.951 5.957 18 HB2 SER 4 HB2 SER 4 29.322 -6.355 8.339 19 HB3 SER 4 HB3 SER 4 30.177 -7.134 6.991 20 HG SER 4 HG SER 4 31.534 -6.783 8.825 21 H TYR 5 H TYR 5 28.188 -3.300 5.567 22 HA TYR 5 HA TYR 5 25.867 -4.898 5.149 23 HB2 TYR 5 HB2 TYR 5 25.843 -2.471 5.417 24 HB3 TYR 5 HB3 TYR 5 26.666 -2.267 3.873 25 HD1 TYR 5 HD1 TYR 5 23.517 -3.460 5.503 26 HD2 TYR 5 HD2 TYR 5 25.427 -2.293 1.814 27 HE1 TYR 5 HE1 TYR 5 21.297 -3.438 4.349 28 HE2 TYR 5 HE2 TYR 5 23.210 -2.248 0.678 29 HH TYR 5 HH TYR 5 20.961 -2.567 0.887 30 H THR 6 H THR 6 25.046 -5.970 3.459 31 HA THR 6 HA THR 6 26.340 -5.942 0.799 32 HB THR 6 HB THR 6 27.548 -7.616 2.191 33 HG1 THR 6 HG1 THR 6 26.050 -8.583 -0.011 34 HG21 THR 6 HG21 THR 6 26.540 -9.757 2.725 35 HG22 THR 6 HG22 THR 6 24.949 -9.200 2.163 36 HG23 THR 6 HG23 THR 6 25.708 -8.457 3.593 37 H GLY 7 H GLY 7 23.605 -5.282 2.102 38 HA2 GLY 7 HA2 GLY 7 21.705 -7.213 1.128 39 HA3 GLY 7 HA3 GLY 7 21.333 -5.575 1.658 40 H ALA 8 H ALA 8 20.494 -7.310 -0.690 41 HA ALA 8 HA ALA 8 20.482 -5.207 -2.743 42 HB1 ALA 8 HB1 ALA 8 21.282 -6.730 -4.510 43 HB2 ALA 8 HB2 ALA 8 22.526 -6.505 -3.272 44 HB3 ALA 8 HB3 ALA 8 21.575 -8.008 -3.300 45 H GLY 9 H GLY 9 18.932 -5.714 -4.497 46 HA2 GLY 9 HA2 GLY 9 17.133 -7.943 -4.447 47 HA3 GLY 9 HA3 GLY 9 16.390 -6.589 -3.591 48 H GLU 10 H GLU 10 15.103 -7.535 -5.719 49 HA GLU 10 HA GLU 10 15.186 -5.344 -7.683 50 HB2 GLU 10 HB2 GLU 10 15.042 -6.884 -9.541 51 HB3 GLU 10 HB3 GLU 10 16.555 -7.088 -8.669 52 HG2 GLU 10 HG2 GLU 10 15.561 -9.111 -7.535 53 HG3 GLU 10 HG3 GLU 10 14.091 -8.881 -8.482 54 HA PRO 11 HA PRO 11 10.758 -5.554 -7.307 55 HB2 PRO 11 HB2 PRO 11 10.572 -5.466 -10.314 56 HB3 PRO 11 HB3 PRO 11 9.708 -4.470 -9.101 57 HG2 PRO 11 HG2 PRO 11 11.830 -3.449 -10.424 58 HG3 PRO 11 HG3 PRO 11 11.678 -3.178 -8.658 59 HD2 PRO 11 HD2 PRO 11 13.371 -5.224 -10.101 60 HD3 PRO 11 HD3 PRO 11 13.802 -4.129 -8.756 61 H SER 12 H SER 12 9.456 -7.259 -6.919 62 HA SER 12 HA SER 12 9.117 -9.511 -8.810 63 HB2 SER 12 HB2 SER 12 11.027 -10.284 -7.532 64 HB3 SER 12 HB3 SER 12 10.231 -9.856 -5.998 65 HG SER 12 HG SER 12 10.104 -12.133 -6.660 66 H GLN 13 H GLN 13 7.081 -10.252 -8.783 67 HA GLN 13 HA GLN 13 5.037 -9.070 -7.187 68 HB2 GLN 13 HB2 GLN 13 3.555 -10.686 -8.201 69 HB3 GLN 13 HB3 GLN 13 4.637 -10.015 -9.410 70 HG2 GLN 13 HG2 GLN 13 6.056 -12.078 -9.261 71 HG3 GLN 13 HG3 GLN 13 4.915 -12.751 -8.080 72 HE21 GLN 13 HE21 GLN 13 2.716 -13.311 -8.818 73 HE22 GLN 13 HE22 GLN 13 2.457 -13.586 -10.535 74 H ALA 14 H ALA 14 7.084 -11.871 -6.563 75 HA ALA 14 HA ALA 14 5.370 -12.940 -4.450 76 HB1 ALA 14 HB1 ALA 14 7.211 -14.553 -4.152 77 HB2 ALA 14 HB2 ALA 14 6.747 -14.424 -5.862 78 HB3 ALA 14 HB3 ALA 14 8.224 -13.609 -5.266 79 H ASP 15 H ASP 15 8.287 -10.920 -4.619 80 HA ASP 15 HA ASP 15 8.612 -10.736 -1.732 81 HB2 ASP 15 HB2 ASP 15 9.706 -8.913 -3.881 82 HB3 ASP 15 HB3 ASP 15 10.160 -8.916 -2.180 83 H LEU 16 H LEU 16 6.898 -8.888 -4.136 84 HA LEU 16 HA LEU 16 5.898 -6.859 -2.309 85 HB2 LEU 16 HB2 LEU 16 4.921 -7.905 -4.999 86 HB3 LEU 16 HB3 LEU 16 4.100 -6.614 -4.121 87 HG LEU 16 HG LEU 16 7.040 -6.408 -4.846 88 HD11 LEU 16 HD11 LEU 16 4.633 -5.419 -6.441 89 HD12 LEU 16 HD12 LEU 16 5.755 -6.700 -6.931 90 HD13 LEU 16 HD13 LEU 16 6.331 -5.031 -6.769 91 HD21 LEU 16 HD21 LEU 16 4.888 -4.373 -4.155 92 HD22 LEU 16 HD22 LEU 16 6.558 -3.969 -4.615 93 HD23 LEU 16 HD23 LEU 16 6.245 -4.842 -3.108 94 H ASP 17 H ASP 17 4.427 -9.976 -3.453 95 HA ASP 17 HA ASP 17 2.058 -9.768 -1.941 96 HB2 ASP 17 HB2 ASP 17 2.531 -11.483 -3.697 97 HB3 ASP 17 HB3 ASP 17 3.732 -12.238 -2.661 98 H ALA 18 H ALA 18 5.247 -11.016 -0.912 99 HA ALA 18 HA ALA 18 4.427 -11.871 1.715 100 HB1 ALA 18 HB1 ALA 18 6.475 -12.643 0.571 101 HB2 ALA 18 HB2 ALA 18 7.169 -11.006 0.679 102 HB3 ALA 18 HB3 ALA 18 6.849 -11.930 2.156 103 H LEU 19 H LEU 19 5.890 -8.816 0.557 104 HA LEU 19 HA LEU 19 6.050 -7.438 3.042 105 HB2 LEU 19 HB2 LEU 19 7.157 -6.863 0.820 106 HB3 LEU 19 HB3 LEU 19 5.588 -6.392 0.213 107 HG LEU 19 HG LEU 19 5.664 -4.770 2.411 108 HD11 LEU 19 HD11 LEU 19 7.902 -5.627 3.091 109 HD12 LEU 19 HD12 LEU 19 7.969 -3.911 2.661 110 HD13 LEU 19 HD13 LEU 19 8.566 -5.115 1.515 111 HD21 LEU 19 HD21 LEU 19 6.988 -4.257 -0.286 112 HD22 LEU 19 HD22 LEU 19 6.493 -3.014 0.874 113 HD23 LEU 19 HD23 LEU 19 5.265 -4.048 0.118 114 H LEU 20 H LEU 20 3.516 -7.459 0.532 115 HA LEU 20 HA LEU 20 1.736 -5.609 1.738 116 HB2 LEU 20 HB2 LEU 20 1.382 -7.791 -0.312 117 HB3 LEU 20 HB3 LEU 20 0.089 -6.680 0.100 118 HG LEU 20 HG LEU 20 2.781 -5.616 -0.843 119 HD11 LEU 20 HD11 LEU 20 1.908 -5.464 -3.092 120 HD12 LEU 20 HD12 LEU 20 0.354 -6.176 -2.593 121 HD13 LEU 20 HD13 LEU 20 1.832 -7.156 -2.585 122 HD21 LEU 20 HD21 LEU 20 1.454 -3.671 -1.454 123 HD22 LEU 20 HD22 LEU 20 1.222 -4.029 0.261 124 HD23 LEU 20 HD23 LEU 20 -0.035 -4.483 -0.909 125 H SER 21 H SER 21 1.760 -9.222 1.800 126 HA SER 21 HA SER 21 -0.623 -9.628 3.263 127 HB2 SER 21 HB2 SER 21 0.693 -11.381 2.116 128 HB3 SER 21 HB3 SER 21 1.955 -11.239 3.358 129 HG SER 21 HG SER 21 0.495 -12.954 3.771 130 H ALA 22 H ALA 22 2.624 -8.754 4.474 131 HA ALA 22 HA ALA 22 1.914 -9.113 7.260 132 HB1 ALA 22 HB1 ALA 22 4.255 -7.629 5.986 133 HB2 ALA 22 HB2 ALA 22 4.116 -8.185 7.676 134 HB3 ALA 22 HB3 ALA 22 4.211 -9.370 6.373 135 H VAL 23 H VAL 23 1.788 -6.274 5.045 136 HA VAL 23 HA VAL 23 1.180 -4.470 7.316 137 HB VAL 23 HB VAL 23 2.545 -3.585 5.576 138 HG11 VAL 23 HG11 VAL 23 1.810 -4.866 3.693 139 HG12 VAL 23 HG12 VAL 23 0.244 -4.026 3.658 140 HG13 VAL 23 HG13 VAL 23 1.758 -3.154 3.328 141 HG21 VAL 23 HG21 VAL 23 0.898 -2.050 6.744 142 HG22 VAL 23 HG22 VAL 23 1.494 -1.500 5.172 143 HG23 VAL 23 HG23 VAL 23 -0.138 -2.192 5.309 144 H ARG 24 H ARG 24 -0.654 -6.166 4.812 145 HA ARG 24 HA ARG 24 -3.248 -5.036 5.403 146 HB2 ARG 24 HB2 ARG 24 -2.491 -6.534 3.433 147 HB3 ARG 24 HB3 ARG 24 -2.632 -7.887 4.526 148 HG2 ARG 24 HG2 ARG 24 -4.591 -7.799 3.200 149 HG3 ARG 24 HG3 ARG 24 -5.086 -7.322 4.817 150 HD2 ARG 24 HD2 ARG 24 -5.258 -4.988 4.156 151 HD3 ARG 24 HD3 ARG 24 -4.427 -5.312 2.621 152 HE ARG 24 HE ARG 24 -6.945 -6.794 3.089 153 HH11 ARG 24 HH11 ARG 24 -5.663 -3.918 1.528 154 HH12 ARG 24 HH12 ARG 24 -6.746 -4.066 0.168 155 HH21 ARG 24 HH21 ARG 24 -8.434 -6.770 1.446 156 HH22 ARG 24 HH22 ARG 24 -8.361 -5.530 0.231 157 H ASP 25 H ASP 25 -1.334 -7.501 6.989 158 HA ASP 25 HA ASP 25 -3.408 -8.030 9.025 159 HB2 ASP 25 HB2 ASP 25 -2.088 -9.844 7.863 160 HB3 ASP 25 HB3 ASP 25 -0.650 -9.262 8.699 161 H ASN 26 H ASN 26 -1.499 -5.519 8.699 162 HA ASN 26 HA ASN 26 -0.486 -3.991 9.904 163 HB2 ASN 26 HB2 ASN 26 -1.594 -3.209 11.852 164 HB3 ASN 26 HB3 ASN 26 -2.781 -3.815 10.695 165 HD21 ASN 26 HD21 ASN 26 -0.918 -4.995 13.547 166 HD22 ASN 26 HD22 ASN 26 -2.285 -5.879 14.241 167 H ARG 27 H ARG 27 0.922 -6.515 9.952 168 HA ARG 27 HA ARG 27 2.579 -6.248 12.400 169 HB2 ARG 27 HB2 ARG 27 2.370 -8.392 10.281 170 HB3 ARG 27 HB3 ARG 27 3.726 -8.310 11.435 171 HG2 ARG 27 HG2 ARG 27 2.135 -8.240 13.338 172 HG3 ARG 27 HG3 ARG 27 0.788 -8.462 12.215 173 HD2 ARG 27 HD2 ARG 27 3.122 -10.402 12.524 174 HD3 ARG 27 HD3 ARG 27 1.606 -10.491 13.426 175 HE ARG 27 HE ARG 27 0.396 -10.790 11.264 176 HH11 ARG 27 HH11 ARG 27 3.827 -11.616 11.140 177 HH12 ARG 27 HH12 ARG 27 3.568 -12.652 9.757 178 HH21 ARG 27 HH21 ARG 27 0.173 -12.021 9.640 179 HH22 ARG 27 HH22 ARG 27 1.527 -12.870 8.880 180 H LEU 28 H LEU 28 2.578 -5.185 9.159 181 HA LEU 28 HA LEU 28 5.347 -4.116 9.491 182 HB2 LEU 28 HB2 LEU 28 4.832 -5.958 7.689 183 HB3 LEU 28 HB3 LEU 28 4.031 -4.687 6.816 184 HG LEU 28 HG LEU 28 6.196 -5.059 5.916 185 HD11 LEU 28 HD11 LEU 28 7.182 -2.942 5.899 186 HD12 LEU 28 HD12 LEU 28 6.627 -2.552 7.525 187 HD13 LEU 28 HD13 LEU 28 5.453 -2.647 6.198 188 HD21 LEU 28 HD21 LEU 28 7.390 -4.467 8.660 189 HD22 LEU 28 HD22 LEU 28 8.280 -4.819 7.166 190 HD23 LEU 28 HD23 LEU 28 7.272 -6.078 7.904 191 H SER 29 H SER 29 5.570 -1.874 9.068 192 HA SER 29 HA SER 29 3.040 -0.330 9.173 193 HB2 SER 29 HB2 SER 29 5.919 0.526 9.593 194 HB3 SER 29 HB3 SER 29 4.508 1.586 9.726 195 HG SER 29 HG SER 29 5.027 -0.752 11.282 196 H ILE 30 H ILE 30 2.667 1.553 7.918 197 HA ILE 30 HA ILE 30 2.804 1.288 5.109 198 HB ILE 30 HB ILE 30 2.514 3.750 6.894 199 HG12 ILE 30 HG12 ILE 30 0.734 2.065 7.243 200 HG13 ILE 30 HG13 ILE 30 0.157 3.596 6.600 201 HG21 ILE 30 HG21 ILE 30 2.083 3.510 3.901 202 HG22 ILE 30 HG22 ILE 30 1.367 4.804 4.892 203 HG23 ILE 30 HG23 ILE 30 3.122 4.637 4.778 204 HD11 ILE 30 HD11 ILE 30 -1.004 1.777 5.531 205 HD12 ILE 30 HD12 ILE 30 -0.006 2.586 4.330 206 HD13 ILE 30 HD13 ILE 30 0.516 1.016 5.011 207 H GLU 31 H GLU 31 4.894 3.412 7.160 208 HA GLU 31 HA GLU 31 6.436 4.162 4.815 209 HB2 GLU 31 HB2 GLU 31 6.898 4.770 7.757 210 HB3 GLU 31 HB3 GLU 31 7.814 5.463 6.405 211 HG2 GLU 31 HG2 GLU 31 5.660 6.317 5.433 212 HG3 GLU 31 HG3 GLU 31 4.828 5.804 6.912 213 H GLN 32 H GLN 32 6.754 1.563 7.123 214 HA GLN 32 HA GLN 32 9.555 0.985 6.527 215 HB2 GLN 32 HB2 GLN 32 7.296 -0.473 7.917 216 HB3 GLN 32 HB3 GLN 32 8.850 -1.254 7.613 217 HG2 GLN 32 HG2 GLN 32 8.421 1.305 9.224 218 HG3 GLN 32 HG3 GLN 32 8.679 -0.307 9.896 219 HE21 GLN 32 HE21 GLN 32 10.830 -1.419 9.208 220 HE22 GLN 32 HE22 GLN 32 12.213 -0.345 9.050 221 H ALA 33 H ALA 33 6.343 -0.178 5.345 222 HA ALA 33 HA ALA 33 7.425 -2.007 3.450 223 HB1 ALA 33 HB1 ALA 33 4.787 -0.512 3.617 224 HB2 ALA 33 HB2 ALA 33 5.136 -1.718 2.362 225 HB3 ALA 33 HB3 ALA 33 5.126 -2.205 4.059 226 H VAL 34 H VAL 34 7.087 1.503 3.280 227 HA VAL 34 HA VAL 34 7.822 1.640 0.445 228 HB VAL 34 HB VAL 34 7.693 3.785 2.583 229 HG11 VAL 34 HG11 VAL 34 8.158 4.024 -0.425 230 HG12 VAL 34 HG12 VAL 34 7.791 5.374 0.679 231 HG13 VAL 34 HG13 VAL 34 9.306 4.471 0.860 232 HG21 VAL 34 HG21 VAL 34 5.491 2.821 1.904 233 HG22 VAL 34 HG22 VAL 34 5.692 4.502 1.395 234 HG23 VAL 34 HG23 VAL 34 5.863 3.180 0.219 235 H THR 35 H THR 35 9.615 2.120 3.597 236 HA THR 35 HA THR 35 12.020 2.742 2.219 237 HB THR 35 HB THR 35 11.344 3.141 4.702 238 HG1 THR 35 HG1 THR 35 13.578 3.435 5.115 239 HG21 THR 35 HG21 THR 35 11.447 0.692 5.356 240 HG22 THR 35 HG22 THR 35 12.452 1.780 6.317 241 HG23 THR 35 HG23 THR 35 13.197 0.751 5.074 242 H LEU 36 H LEU 36 10.717 -0.392 3.039 243 HA LEU 36 HA LEU 36 13.131 -1.850 2.252 244 HB2 LEU 36 HB2 LEU 36 10.261 -2.745 2.718 245 HB3 LEU 36 HB3 LEU 36 11.625 -3.826 2.453 246 HG LEU 36 HG LEU 36 11.298 -1.947 4.844 247 HD11 LEU 36 HD11 LEU 36 11.024 -4.001 6.120 248 HD12 LEU 36 HD12 LEU 36 11.166 -4.973 4.637 249 HD13 LEU 36 HD13 LEU 36 9.784 -3.872 4.864 250 HD21 LEU 36 HD21 LEU 36 13.504 -3.912 4.166 251 HD22 LEU 36 HD22 LEU 36 13.263 -3.158 5.761 252 HD23 LEU 36 HD23 LEU 36 13.642 -2.136 4.376 253 H LEU 37 H LEU 37 10.644 -0.341 0.453 254 HA LEU 37 HA LEU 37 11.111 -1.940 -1.997 255 HB2 LEU 37 HB2 LEU 37 8.855 -1.004 -1.185 256 HB3 LEU 37 HB3 LEU 37 9.450 0.577 -1.654 257 HG LEU 37 HG LEU 37 8.760 -1.827 -3.371 258 HD11 LEU 37 HD11 LEU 37 7.220 -0.194 -4.374 259 HD12 LEU 37 HD12 LEU 37 7.925 1.104 -3.382 260 HD13 LEU 37 HD13 LEU 37 7.028 -0.213 -2.610 261 HD21 LEU 37 HD21 LEU 37 10.784 -0.989 -4.458 262 HD22 LEU 37 HD22 LEU 37 10.195 0.685 -4.341 263 HD23 LEU 37 HD23 LEU 37 9.372 -0.489 -5.393 264 H THR 38 H THR 38 11.335 1.474 -0.925 265 HA THR 38 HA THR 38 13.863 1.902 -2.411 266 HB THR 38 HB THR 38 11.515 3.822 -2.500 267 HG1 THR 38 HG1 THR 38 12.754 2.240 -4.517 268 HG21 THR 38 HG21 THR 38 14.280 3.962 -3.782 269 HG22 THR 38 HG22 THR 38 13.644 5.051 -2.525 270 HG23 THR 38 HG23 THR 38 12.921 5.053 -4.133 271 HA PRO 39 HA PRO 39 14.584 3.046 1.884 272 HB2 PRO 39 HB2 PRO 39 17.106 4.204 0.687 273 HB3 PRO 39 HB3 PRO 39 16.892 3.289 2.220 274 HG2 PRO 39 HG2 PRO 39 17.762 1.981 0.016 275 HG3 PRO 39 HG3 PRO 39 16.455 1.248 1.013 276 HD2 PRO 39 HD2 PRO 39 16.190 2.807 -1.571 277 HD3 PRO 39 HD3 PRO 39 15.402 1.276 -1.076 278 H ARG 40 H ARG 40 14.154 4.713 3.176 279 HA ARG 40 HA ARG 40 13.763 7.432 2.002 280 HB2 ARG 40 HB2 ARG 40 12.403 6.102 4.386 281 HB3 ARG 40 HB3 ARG 40 12.080 7.735 3.805 282 HG2 ARG 40 HG2 ARG 40 11.480 5.119 2.367 283 HG3 ARG 40 HG3 ARG 40 10.333 6.277 3.023 284 HD2 ARG 40 HD2 ARG 40 12.135 6.619 0.603 285 HD3 ARG 40 HD3 ARG 40 10.385 6.474 0.616 286 HE ARG 40 HE ARG 40 10.318 8.670 1.874 287 HH11 ARG 40 HH11 ARG 40 13.034 8.085 -0.287 288 HH12 ARG 40 HH12 ARG 40 13.340 9.792 -0.466 289 HH21 ARG 40 HH21 ARG 40 10.754 10.720 1.631 290 HH22 ARG 40 HH22 ARG 40 12.067 11.275 0.615 291 H ARG 41 H ARG 41 13.820 9.229 3.482 292 HA ARG 41 HA ARG 41 16.147 9.181 5.359 293 HB2 ARG 41 HB2 ARG 41 16.337 10.153 2.839 294 HB3 ARG 41 HB3 ARG 41 15.588 11.554 3.582 295 HG2 ARG 41 HG2 ARG 41 17.968 11.869 3.546 296 HG3 ARG 41 HG3 ARG 41 17.494 11.642 5.222 297 HD2 ARG 41 HD2 ARG 41 19.544 10.423 4.801 298 HD3 ARG 41 HD3 ARG 41 18.251 9.267 5.107 299 HE ARG 41 HE ARG 41 18.620 9.851 2.273 300 HH11 ARG 41 HH11 ARG 41 19.882 7.823 4.841 301 HH12 ARG 41 HH12 ARG 41 20.496 6.637 3.716 302 HH21 ARG 41 HH21 ARG 41 19.378 8.276 0.909 303 HH22 ARG 41 HH22 ARG 41 20.192 6.882 1.551 304 H GLY 42 H GLY 42 16.211 11.355 6.631 305 HA2 GLY 42 HA2 GLY 42 13.915 11.534 8.303 306 HA3 GLY 42 HA3 GLY 42 15.278 12.656 8.282 307 H GLY 43 H GLY 43 12.508 13.299 8.728 308 HA2 GLY 43 HA2 GLY 43 11.038 15.017 8.171 309 HA3 GLY 43 HA3 GLY 43 11.910 15.333 6.677 310 H GLY 44 H GLY 44 9.452 15.519 6.193 311 HA2 GLY 44 HA2 GLY 44 7.892 13.111 5.822 312 HA3 GLY 44 HA3 GLY 44 7.501 14.723 5.234 313 H SER 45 H SER 45 7.058 12.265 3.886 314 HA SER 45 HA SER 45 8.801 12.481 1.463 315 HB2 SER 45 HB2 SER 45 7.101 10.146 2.398 316 HB3 SER 45 HB3 SER 45 8.059 10.195 0.917 317 HG SER 45 HG SER 45 9.014 10.371 3.585 318 H GLY 46 H GLY 46 5.950 13.767 2.403 319 HA2 GLY 46 HA2 GLY 46 4.356 14.906 1.158 320 HA3 GLY 46 HA3 GLY 46 5.121 14.312 -0.311 321 H GLY 47 H GLY 47 2.842 14.316 -0.970 322 HA2 GLY 47 HA2 GLY 47 1.673 11.760 -1.240 323 HA3 GLY 47 HA3 GLY 47 0.821 12.605 0.061 324 H GLY 48 H GLY 48 -0.977 12.231 -1.605 325 HA2 GLY 48 HA2 GLY 48 -2.595 13.394 -2.797 326 HA3 GLY 48 HA3 GLY 48 -1.480 14.723 -3.097 327 H SER 49 H SER 49 -0.298 11.575 -3.841 328 HA SER 49 HA SER 49 -1.157 11.391 -6.611 329 HB2 SER 49 HB2 SER 49 0.721 13.120 -6.649 330 HB3 SER 49 HB3 SER 49 1.805 11.843 -6.072 331 HG SER 49 HG SER 49 1.790 12.072 -8.380 332 H MET 50 H MET 50 -0.004 9.446 -7.637 333 HA MET 50 HA MET 50 -0.216 7.219 -5.758 334 HB2 MET 50 HB2 MET 50 0.235 7.200 -8.775 335 HB3 MET 50 HB3 MET 50 -0.087 5.795 -7.753 336 HG2 MET 50 HG2 MET 50 -2.158 6.262 -8.685 337 HG3 MET 50 HG3 MET 50 -2.263 6.897 -7.047 338 HE1 MET 50 HE1 MET 50 -4.450 8.233 -7.600 339 HE2 MET 50 HE2 MET 50 -4.641 9.287 -9.018 340 HE3 MET 50 HE3 MET 50 -4.424 7.530 -9.230 341 H ASP 51 H ASP 51 1.766 8.440 -4.806 342 HA ASP 51 HA ASP 51 4.350 7.171 -5.377 343 HB2 ASP 51 HB2 ASP 51 3.283 8.503 -2.881 344 HB3 ASP 51 HB3 ASP 51 4.968 8.129 -3.202 345 H ALA 52 H ALA 52 5.321 5.591 -3.920 346 HA ALA 52 HA ALA 52 3.822 3.265 -3.469 347 HB1 ALA 52 HB1 ALA 52 6.393 4.183 -2.092 348 HB2 ALA 52 HB2 ALA 52 5.778 2.524 -2.136 349 HB3 ALA 52 HB3 ALA 52 6.275 3.328 -3.644 350 H LYS 53 H LYS 53 4.513 5.895 -1.123 351 HA LYS 53 HA LYS 53 3.341 4.585 1.140 352 HB2 LYS 53 HB2 LYS 53 4.817 6.736 1.096 353 HB3 LYS 53 HB3 LYS 53 3.308 7.590 0.741 354 HG2 LYS 53 HG2 LYS 53 2.412 6.195 2.860 355 HG3 LYS 53 HG3 LYS 53 4.129 6.010 3.211 356 HD2 LYS 53 HD2 LYS 53 4.370 8.453 3.278 357 HD3 LYS 53 HD3 LYS 53 2.650 8.631 2.801 358 HE2 LYS 53 HE2 LYS 53 1.842 7.703 4.814 359 HE3 LYS 53 HE3 LYS 53 3.422 7.030 5.253 360 HZ1 LYS 53 HZ1 LYS 53 2.773 9.096 6.479 361 HZ2 LYS 53 HZ2 LYS 53 2.973 9.953 5.099 362 HZ3 LYS 53 HZ3 LYS 53 4.247 9.158 5.789 363 H GLU 54 H GLU 54 1.812 6.675 -1.338 364 HA GLU 54 HA GLU 54 -0.736 6.677 0.090 365 HB2 GLU 54 HB2 GLU 54 0.053 8.476 -1.523 366 HB3 GLU 54 HB3 GLU 54 -0.328 7.354 -2.842 367 HG2 GLU 54 HG2 GLU 54 -2.657 7.200 -2.050 368 HG3 GLU 54 HG3 GLU 54 -2.297 8.225 -0.666 369 H ILE 55 H ILE 55 0.699 4.738 -2.542 370 HA ILE 55 HA ILE 55 -1.561 3.061 -3.083 371 HB ILE 55 HB ILE 55 1.428 2.553 -3.228 372 HG12 ILE 55 HG12 ILE 55 -0.496 2.933 -5.562 373 HG13 ILE 55 HG13 ILE 55 0.217 4.332 -4.767 374 HG21 ILE 55 HG21 ILE 55 -0.889 0.840 -4.214 375 HG22 ILE 55 HG22 ILE 55 0.778 0.629 -4.759 376 HG23 ILE 55 HG23 ILE 55 0.383 0.380 -3.054 377 HD11 ILE 55 HD11 ILE 55 1.863 2.103 -6.028 378 HD12 ILE 55 HD12 ILE 55 1.499 3.661 -6.765 379 HD13 ILE 55 HD13 ILE 55 2.471 3.595 -5.296 380 H LEU 56 H LEU 56 1.095 2.708 -0.673 381 HA LEU 56 HA LEU 56 0.044 0.401 0.631 382 HB2 LEU 56 HB2 LEU 56 2.057 2.540 1.232 383 HB3 LEU 56 HB3 LEU 56 1.327 1.813 2.644 384 HG LEU 56 HG LEU 56 3.328 0.715 2.299 385 HD11 LEU 56 HD11 LEU 56 1.278 -1.237 1.171 386 HD12 LEU 56 HD12 LEU 56 1.350 -0.736 2.876 387 HD13 LEU 56 HD13 LEU 56 2.730 -1.578 2.120 388 HD21 LEU 56 HD21 LEU 56 3.833 1.196 0.013 389 HD22 LEU 56 HD22 LEU 56 2.499 0.164 -0.554 390 HD23 LEU 56 HD23 LEU 56 3.910 -0.556 0.268 391 H THR 57 H THR 57 -0.496 3.897 1.400 392 HA THR 57 HA THR 57 -2.194 3.485 3.614 393 HB THR 57 HB THR 57 -2.340 5.735 1.569 394 HG1 THR 57 HG1 THR 57 -0.300 5.555 2.521 395 HG21 THR 57 HG21 THR 57 -3.210 7.074 3.470 396 HG22 THR 57 HG22 THR 57 -3.293 5.599 4.457 397 HG23 THR 57 HG23 THR 57 -4.314 5.780 3.012 398 H ARG 58 H ARG 58 -3.172 3.738 0.159 399 HA ARG 58 HA ARG 58 -5.989 3.293 0.536 400 HB2 ARG 58 HB2 ARG 58 -4.145 2.697 -1.822 401 HB3 ARG 58 HB3 ARG 58 -5.913 2.603 -1.882 402 HG2 ARG 58 HG2 ARG 58 -6.194 4.956 -1.563 403 HG3 ARG 58 HG3 ARG 58 -4.501 5.190 -1.131 404 HD2 ARG 58 HD2 ARG 58 -3.815 4.419 -3.406 405 HD3 ARG 58 HD3 ARG 58 -5.500 4.265 -3.862 406 HE ARG 58 HE ARG 58 -3.942 6.766 -3.474 407 HH11 ARG 58 HH11 ARG 58 -7.154 5.510 -4.103 408 HH12 ARG 58 HH12 ARG 58 -7.729 7.059 -4.652 409 HH21 ARG 58 HH21 ARG 58 -4.696 8.655 -4.147 410 HH22 ARG 58 HH22 ARG 58 -6.357 8.808 -4.708 411 H PHE 59 H PHE 59 -3.306 0.983 0.121 412 HA PHE 59 HA PHE 59 -4.999 -1.342 -0.004 413 HB2 PHE 59 HB2 PHE 59 -2.776 -1.237 -1.016 414 HB3 PHE 59 HB3 PHE 59 -2.034 -0.956 0.557 415 HD1 PHE 59 HD1 PHE 59 -4.228 -3.452 -1.234 416 HD2 PHE 59 HD2 PHE 59 -1.195 -2.769 1.763 417 HE1 PHE 59 HE1 PHE 59 -4.120 -5.886 -0.782 418 HE2 PHE 59 HE2 PHE 59 -1.035 -5.206 2.136 419 HZ PHE 59 HZ PHE 59 -2.502 -6.779 0.885 420 H LYS 60 H LYS 60 -3.203 0.148 2.723 421 HA LYS 60 HA LYS 60 -4.044 -1.920 4.585 422 HB2 LYS 60 HB2 LYS 60 -2.018 -0.434 4.802 423 HB3 LYS 60 HB3 LYS 60 -3.114 0.877 5.291 424 HG2 LYS 60 HG2 LYS 60 -3.912 -0.524 7.201 425 HG3 LYS 60 HG3 LYS 60 -2.863 -1.849 6.664 426 HD2 LYS 60 HD2 LYS 60 -0.879 -0.365 7.005 427 HD3 LYS 60 HD3 LYS 60 -1.950 0.889 7.655 428 HE2 LYS 60 HE2 LYS 60 -1.701 -1.924 8.809 429 HE3 LYS 60 HE3 LYS 60 -0.756 -0.541 9.371 430 HZ1 LYS 60 HZ1 LYS 60 -2.707 -0.786 10.750 431 HZ2 LYS 60 HZ2 LYS 60 -3.718 -0.742 9.472 432 HZ3 LYS 60 HZ3 LYS 60 -2.869 0.587 9.900 433 H ASP 61 H ASP 61 -5.423 1.224 3.693 434 HA ASP 61 HA ASP 61 -7.640 1.185 5.538 435 HB2 ASP 61 HB2 ASP 61 -6.813 3.179 4.296 436 HB3 ASP 61 HB3 ASP 61 -7.372 2.456 2.788 437 H GLY 62 H GLY 62 -6.998 -0.761 2.764 438 HA2 GLY 62 HA2 GLY 62 -8.168 -2.618 2.014 439 HA3 GLY 62 HA3 GLY 62 -9.549 -2.175 3.021 440 H GLY 63 H GLY 63 -8.635 0.484 1.113 441 HA2 GLY 63 HA2 GLY 63 -10.922 0.267 -0.705 442 HA3 GLY 63 HA3 GLY 63 -9.711 1.556 -0.639 443 H LEU 64 H LEU 64 -7.502 -0.487 -0.874 444 HA LEU 64 HA LEU 64 -7.651 -1.033 -3.795 445 HB2 LEU 64 HB2 LEU 64 -5.828 0.475 -2.622 446 HB3 LEU 64 HB3 LEU 64 -5.139 -1.059 -2.115 447 HG LEU 64 HG LEU 64 -4.979 -1.711 -4.555 448 HD11 LEU 64 HD11 LEU 64 -5.642 1.241 -4.927 449 HD12 LEU 64 HD12 LEU 64 -6.632 -0.122 -5.501 450 HD13 LEU 64 HD13 LEU 64 -5.030 0.155 -6.197 451 HD21 LEU 64 HD21 LEU 64 -3.008 -0.298 -4.947 452 HD22 LEU 64 HD22 LEU 64 -3.062 -0.824 -3.263 453 HD23 LEU 64 HD23 LEU 64 -3.539 0.835 -3.694 454 H ASP 65 H ASP 65 -7.286 -3.073 -4.619 455 HA ASP 65 HA ASP 65 -7.228 -5.383 -2.757 456 HB2 ASP 65 HB2 ASP 65 -7.418 -6.738 -4.840 457 HB3 ASP 65 HB3 ASP 65 -8.759 -5.639 -4.569 458 H ARG 66 H ARG 66 -5.632 -7.119 -3.062 459 HA ARG 66 HA ARG 66 -2.992 -6.005 -2.951 460 HB2 ARG 66 HB2 ARG 66 -3.982 -8.088 -1.748 461 HB3 ARG 66 HB3 ARG 66 -3.542 -8.978 -3.216 462 HG2 ARG 66 HG2 ARG 66 -1.174 -8.374 -2.896 463 HG3 ARG 66 HG3 ARG 66 -1.613 -7.222 -1.634 464 HD2 ARG 66 HD2 ARG 66 -0.740 -9.058 -0.480 465 HD3 ARG 66 HD3 ARG 66 -2.483 -9.161 -0.240 466 HE ARG 66 HE ARG 66 -0.724 -10.965 -1.821 467 HH11 ARG 66 HH11 ARG 66 -4.088 -10.398 -0.954 468 HH12 ARG 66 HH12 ARG 66 -4.533 -11.998 -1.486 469 HH21 ARG 66 HH21 ARG 66 -1.284 -12.828 -2.340 470 HH22 ARG 66 HH22 ARG 66 -2.953 -13.405 -2.258 471 H ALA 67 H ALA 67 -4.684 -7.584 -5.604 472 HA ALA 67 HA ALA 67 -2.413 -7.997 -7.304 473 HB1 ALA 67 HB1 ALA 67 -4.559 -9.120 -7.655 474 HB2 ALA 67 HB2 ALA 67 -5.353 -7.569 -7.959 475 HB3 ALA 67 HB3 ALA 67 -4.119 -8.175 -9.094 476 H ALA 68 H ALA 68 -4.702 -5.205 -7.100 477 HA ALA 68 HA ALA 68 -3.277 -3.542 -8.954 478 HB1 ALA 68 HB1 ALA 68 -5.156 -2.818 -6.673 479 HB2 ALA 68 HB2 ALA 68 -4.641 -1.741 -7.985 480 HB3 ALA 68 HB3 ALA 68 -5.619 -3.170 -8.352 481 H ALA 69 H ALA 69 -3.013 -3.909 -5.361 482 HA ALA 69 HA ALA 69 -1.119 -1.833 -4.953 483 HB1 ALA 69 HB1 ALA 69 -2.385 -3.058 -3.176 484 HB2 ALA 69 HB2 ALA 69 -1.309 -4.454 -3.421 485 HB3 ALA 69 HB3 ALA 69 -0.645 -2.917 -2.851 486 H GLN 70 H GLN 70 -0.492 -5.314 -5.721 487 HA GLN 70 HA GLN 70 2.349 -5.092 -5.926 488 HB2 GLN 70 HB2 GLN 70 0.426 -6.921 -7.413 489 HB3 GLN 70 HB3 GLN 70 2.187 -7.084 -7.415 490 HG2 GLN 70 HG2 GLN 70 2.276 -7.605 -5.107 491 HG3 GLN 70 HG3 GLN 70 0.600 -7.173 -4.837 492 HE21 GLN 70 HE21 GLN 70 2.666 -9.875 -5.599 493 HE22 GLN 70 HE22 GLN 70 1.357 -10.938 -6.046 494 H ALA 71 H ALA 71 -0.201 -4.485 -8.412 495 HA ALA 71 HA ALA 71 1.578 -4.216 -10.630 496 HB1 ALA 71 HB1 ALA 71 -1.173 -2.957 -10.168 497 HB2 ALA 71 HB2 ALA 71 -0.359 -3.184 -11.727 498 HB3 ALA 71 HB3 ALA 71 -0.881 -4.604 -10.786 499 H LEU 72 H LEU 72 0.100 -1.808 -8.473 500 HA LEU 72 HA LEU 72 1.271 0.483 -9.738 501 HB2 LEU 72 HB2 LEU 72 -0.121 0.013 -7.066 502 HB3 LEU 72 HB3 LEU 72 0.281 1.612 -7.691 503 HG LEU 72 HG LEU 72 -1.489 -0.324 -9.238 504 HD11 LEU 72 HD11 LEU 72 -2.555 0.187 -7.132 505 HD12 LEU 72 HD12 LEU 72 -3.383 1.012 -8.456 506 HD13 LEU 72 HD13 LEU 72 -2.298 1.934 -7.381 507 HD21 LEU 72 HD21 LEU 72 -0.472 1.329 -10.622 508 HD22 LEU 72 HD22 LEU 72 -0.862 2.633 -9.478 509 HD23 LEU 72 HD23 LEU 72 -2.153 1.800 -10.379 510 H LEU 73 H LEU 73 2.198 -1.371 -6.857 511 HA LEU 73 HA LEU 73 4.493 0.299 -6.191 512 HB2 LEU 73 HB2 LEU 73 3.782 -2.578 -5.494 513 HB3 LEU 73 HB3 LEU 73 5.227 -1.765 -4.927 514 HG LEU 73 HG LEU 73 2.363 -0.889 -4.333 515 HD11 LEU 73 HD11 LEU 73 4.487 -2.074 -2.501 516 HD12 LEU 73 HD12 LEU 73 3.102 -2.961 -3.175 517 HD13 LEU 73 HD13 LEU 73 2.824 -1.620 -2.060 518 HD21 LEU 73 HD21 LEU 73 3.735 1.099 -4.347 519 HD22 LEU 73 HD22 LEU 73 4.947 0.309 -3.328 520 HD23 LEU 73 HD23 LEU 73 3.325 0.671 -2.699 521 H ALA 74 H ALA 74 4.134 -2.517 -8.328 522 HA ALA 74 HA ALA 74 6.933 -2.505 -9.103 523 HB1 ALA 74 HB1 ALA 74 6.218 -4.150 -10.777 524 HB2 ALA 74 HB2 ALA 74 5.541 -4.530 -9.187 525 HB3 ALA 74 HB3 ALA 74 4.517 -3.783 -10.432 526 H GLY 75 H GLY 75 4.592 -0.203 -9.730 527 HA2 GLY 75 HA2 GLY 75 4.750 1.698 -11.014 528 HA3 GLY 75 HA3 GLY 75 6.147 1.043 -11.860 529 H ARG 76 H ARG 76 3.483 -1.119 -12.018 530 HA ARG 76 HA ARG 76 2.944 -0.457 -14.849 531 HB2 ARG 76 HB2 ARG 76 3.286 -2.872 -13.545 532 HB3 ARG 76 HB3 ARG 76 1.541 -2.714 -13.457 533 HG2 ARG 76 HG2 ARG 76 1.858 -2.102 -16.079 534 HG3 ARG 76 HG3 ARG 76 3.376 -2.950 -15.828 535 HD2 ARG 76 HD2 ARG 76 1.945 -4.607 -16.597 536 HD3 ARG 76 HD3 ARG 76 1.946 -4.883 -14.854 537 HE ARG 76 HE ARG 76 -0.225 -3.399 -14.906 538 HH11 ARG 76 HH11 ARG 76 0.556 -5.633 -17.503 539 HH12 ARG 76 HH12 ARG 76 -1.113 -5.744 -18.009 540 HH21 ARG 76 HH21 ARG 76 -2.292 -3.594 -15.601 541 HH22 ARG 76 HH22 ARG 76 -2.661 -4.632 -16.954 542 H THR 77 H THR 77 0.623 -0.676 -15.562 543 HA THR 77 HA THR 77 -1.250 0.933 -14.002 544 HB THR 77 HB THR 77 -2.854 0.301 -15.853 545 HG1 THR 77 HG1 THR 77 -1.893 -0.634 -17.683 546 HG21 THR 77 HG21 THR 77 -1.787 1.725 -17.534 547 HG22 THR 77 HG22 THR 77 -0.201 1.526 -16.755 548 HG23 THR 77 HG23 THR 77 -1.504 2.399 -15.915 549 HA PRO 78 HA PRO 78 -3.291 -2.437 -11.847 550 HB2 PRO 78 HB2 PRO 78 -5.863 -1.042 -12.576 551 HB3 PRO 78 HB3 PRO 78 -5.319 -1.658 -10.980 552 HG2 PRO 78 HG2 PRO 78 -5.153 0.971 -11.482 553 HG3 PRO 78 HG3 PRO 78 -3.759 0.132 -10.734 554 HD2 PRO 78 HD2 PRO 78 -4.169 0.815 -13.665 555 HD3 PRO 78 HD3 PRO 78 -2.759 1.145 -12.612 556 H ALA 79 H ALA 79 -5.590 -3.720 -12.127 557 HA ALA 79 HA ALA 79 -6.560 -5.471 -13.065 558 HB1 ALA 79 HB1 ALA 79 -7.567 -3.714 -14.458 559 HB2 ALA 79 HB2 ALA 79 -6.338 -4.010 -15.713 560 HB3 ALA 79 HB3 ALA 79 -7.496 -5.284 -15.277 561 H ALA 80 H ALA 80 -3.510 -5.368 -13.061 562 HA ALA 80 HA ALA 80 -2.866 -7.733 -14.694 563 HB1 ALA 80 HB1 ALA 80 -0.794 -7.747 -13.358 564 HB2 ALA 80 HB2 ALA 80 -1.095 -6.145 -14.040 565 HB3 ALA 80 HB3 ALA 80 -1.435 -6.458 -12.318 566 H ALA 81 H ALA 81 -2.446 -9.847 -13.642 567 HA ALA 81 HA ALA 81 -3.777 -10.307 -11.036 568 HB1 ALA 81 HB1 ALA 81 -4.453 -11.832 -13.585 569 HB2 ALA 81 HB2 ALA 81 -5.043 -12.214 -11.951 570 HB3 ALA 81 HB3 ALA 81 -5.510 -10.692 -12.722 571 HA PRO 82 HA PRO 82 -0.176 -13.053 -10.778 572 HB2 PRO 82 HB2 PRO 82 -0.482 -14.001 -8.258 573 HB3 PRO 82 HB3 PRO 82 -0.024 -12.301 -8.587 574 HG2 PRO 82 HG2 PRO 82 -2.778 -13.388 -7.926 575 HG3 PRO 82 HG3 PRO 82 -1.959 -11.948 -7.250 576 HD2 PRO 82 HD2 PRO 82 -3.783 -11.822 -9.307 577 HD3 PRO 82 HD3 PRO 82 -2.426 -10.668 -9.150 578 H ARG 83 H ARG 83 -0.754 -14.482 -12.387 579 HA ARG 83 HA ARG 83 -1.434 -16.385 -13.428 580 HB2 ARG 83 HB2 ARG 83 0.288 -17.220 -11.892 581 HB3 ARG 83 HB3 ARG 83 -0.950 -17.615 -10.707 582 HG2 ARG 83 HG2 ARG 83 -0.138 -19.571 -11.924 583 HG3 ARG 83 HG3 ARG 83 -1.859 -19.372 -12.154 584 HD2 ARG 83 HD2 ARG 83 0.161 -18.352 -14.181 585 HD3 ARG 83 HD3 ARG 83 -0.384 -20.037 -14.172 586 HE ARG 83 HE ARG 83 -2.767 -18.709 -14.207 587 HH11 ARG 83 HH11 ARG 83 -0.009 -18.533 -16.365 588 HH12 ARG 83 HH12 ARG 83 -1.003 -18.065 -17.715 589 HH21 ARG 83 HH21 ARG 83 -3.933 -18.111 -15.876 590 HH22 ARG 83 HH22 ARG 83 -3.206 -17.836 -17.453 591 HA PRO 84 HA PRO 84 -5.905 -16.216 -12.128 592 HB2 PRO 84 HB2 PRO 84 -6.938 -15.410 -14.532 593 HB3 PRO 84 HB3 PRO 84 -6.257 -14.274 -13.324 594 HG2 PRO 84 HG2 PRO 84 -4.873 -15.465 -15.756 595 HG3 PRO 84 HG3 PRO 84 -4.954 -13.744 -15.264 596 HD2 PRO 84 HD2 PRO 84 -2.827 -15.319 -14.668 597 HD3 PRO 84 HD3 PRO 84 -3.408 -14.087 -13.512 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 39.863 -1.776 -11.235 2 H2 GLY 1 H2 GLY 1 39.936 -0.455 -12.217 3 H3 GLY 1 H3 GLY 1 38.735 -1.546 -12.414 4 HA2 GLY 1 HA2 GLY 1 39.121 0.219 -10.098 5 HA3 GLY 1 HA3 GLY 1 37.825 0.360 -11.308 6 HA PRO 2 HA PRO 2 36.755 -2.521 -7.662 7 HB2 PRO 2 HB2 PRO 2 35.218 -0.922 -6.058 8 HB3 PRO 2 HB3 PRO 2 37.008 -0.934 -5.985 9 HG2 PRO 2 HG2 PRO 2 35.226 1.005 -7.497 10 HG3 PRO 2 HG3 PRO 2 36.570 1.381 -6.378 11 HD2 PRO 2 HD2 PRO 2 36.925 1.317 -9.072 12 HD3 PRO 2 HD3 PRO 2 38.205 0.728 -7.954 13 H GLY 3 H GLY 3 34.782 -0.386 -9.648 14 HA2 GLY 3 HA2 GLY 3 32.792 -0.750 -10.773 15 HA3 GLY 3 HA3 GLY 3 32.913 -2.456 -10.352 16 H SER 4 H SER 4 30.720 -2.662 -9.964 17 HA SER 4 HA SER 4 29.748 -1.726 -7.327 18 HB2 SER 4 HB2 SER 4 28.880 -0.111 -9.002 19 HB3 SER 4 HB3 SER 4 28.124 -1.448 -9.894 20 HG SER 4 HG SER 4 26.731 -0.316 -8.418 21 H TYR 5 H TYR 5 28.237 -3.138 -6.377 22 HA TYR 5 HA TYR 5 28.437 -5.905 -7.230 23 HB2 TYR 5 HB2 TYR 5 28.504 -5.074 -4.858 24 HB3 TYR 5 HB3 TYR 5 26.782 -4.722 -4.981 25 HD1 TYR 5 HD2 TYR 5 29.260 -7.531 -5.509 26 HD2 TYR 5 HD1 TYR 5 25.250 -6.410 -4.331 27 HE1 TYR 5 HE2 TYR 5 28.761 -9.891 -4.917 28 HE2 TYR 5 HE1 TYR 5 24.765 -8.791 -3.764 29 HH TYR 5 HH TYR 5 25.558 -10.925 -3.666 30 H THR 6 H THR 6 26.569 -7.359 -7.385 31 HA THR 6 HA THR 6 24.685 -6.425 -9.412 32 HB THR 6 HB THR 6 25.863 -8.614 -9.505 33 HG1 THR 6 HG1 THR 6 24.072 -9.666 -10.317 34 HG21 THR 6 HG21 THR 6 23.841 -9.525 -7.409 35 HG22 THR 6 HG22 THR 6 25.592 -9.338 -7.142 36 HG23 THR 6 HG23 THR 6 25.002 -10.533 -8.301 37 H GLY 7 H GLY 7 22.349 -7.081 -9.315 38 HA2 GLY 7 HA2 GLY 7 20.231 -6.993 -8.392 39 HA3 GLY 7 HA3 GLY 7 20.957 -7.274 -6.805 40 H ALA 8 H ALA 8 19.433 -3.943 -6.416 41 HA ALA 8 HA ALA 8 18.973 -6.803 -5.946 42 HB1 ALA 8 HB1 ALA 8 17.356 -4.325 -5.240 43 HB2 ALA 8 HB2 ALA 8 17.099 -5.971 -4.624 44 HB3 ALA 8 HB3 ALA 8 18.586 -5.108 -4.212 45 H GLY 9 H GLY 9 18.178 -4.683 -8.516 46 HA2 GLY 9 HA2 GLY 9 16.876 -5.033 -10.425 47 HA3 GLY 9 HA3 GLY 9 16.325 -6.573 -9.768 48 H GLU 10 H GLU 10 14.262 -5.797 -10.728 49 HA GLU 10 HA GLU 10 12.813 -3.636 -9.421 50 HB2 GLU 10 HB2 GLU 10 10.970 -4.195 -10.845 51 HB3 GLU 10 HB3 GLU 10 12.456 -4.118 -11.788 52 HG2 GLU 10 HG2 GLU 10 12.601 -6.595 -11.780 53 HG3 GLU 10 HG3 GLU 10 11.132 -6.684 -10.794 54 HA PRO 11 HA PRO 11 10.779 -5.964 -6.185 55 HB2 PRO 11 HB2 PRO 11 8.273 -4.473 -6.973 56 HB3 PRO 11 HB3 PRO 11 8.978 -4.723 -5.347 57 HG2 PRO 11 HG2 PRO 11 9.295 -2.355 -6.628 58 HG3 PRO 11 HG3 PRO 11 10.694 -3.112 -5.798 59 HD2 PRO 11 HD2 PRO 11 9.985 -3.210 -8.741 60 HD3 PRO 11 HD3 PRO 11 11.553 -2.819 -7.963 61 H SER 12 H SER 12 10.433 -8.092 -6.531 62 HA SER 12 HA SER 12 8.817 -9.207 -8.710 63 HB2 SER 12 HB2 SER 12 10.034 -10.501 -6.256 64 HB3 SER 12 HB3 SER 12 9.256 -11.353 -7.595 65 HG SER 12 HG SER 12 11.559 -11.227 -7.797 66 H GLN 13 H GLN 13 6.795 -10.023 -8.696 67 HA GLN 13 HA GLN 13 4.834 -9.075 -6.928 68 HB2 GLN 13 HB2 GLN 13 3.321 -10.625 -7.961 69 HB3 GLN 13 HB3 GLN 13 4.376 -9.907 -9.176 70 HG2 GLN 13 HG2 GLN 13 5.753 -11.983 -9.199 71 HG3 GLN 13 HG3 GLN 13 4.669 -12.707 -7.997 72 HE21 GLN 13 HE21 GLN 13 2.357 -13.081 -8.658 73 HE22 GLN 13 HE22 GLN 13 2.022 -13.308 -10.366 74 H ALA 14 H ALA 14 6.916 -11.857 -6.527 75 HA ALA 14 HA ALA 14 5.298 -13.150 -4.470 76 HB1 ALA 14 HB1 ALA 14 8.192 -13.598 -5.339 77 HB2 ALA 14 HB2 ALA 14 7.207 -14.683 -4.318 78 HB3 ALA 14 HB3 ALA 14 6.752 -14.419 -6.004 79 H ASP 15 H ASP 15 8.099 -10.957 -4.437 80 HA ASP 15 HA ASP 15 8.284 -10.987 -1.503 81 HB2 ASP 15 HB2 ASP 15 9.646 -9.152 -3.473 82 HB3 ASP 15 HB3 ASP 15 9.998 -9.265 -1.756 83 H LEU 16 H LEU 16 6.780 -9.025 -3.950 84 HA LEU 16 HA LEU 16 5.803 -6.954 -2.173 85 HB2 LEU 16 HB2 LEU 16 4.777 -8.056 -4.823 86 HB3 LEU 16 HB3 LEU 16 3.995 -6.725 -3.975 87 HG LEU 16 HG LEU 16 6.924 -6.610 -4.773 88 HD11 LEU 16 HD11 LEU 16 5.641 -6.933 -6.820 89 HD12 LEU 16 HD12 LEU 16 6.149 -5.247 -6.710 90 HD13 LEU 16 HD13 LEU 16 4.475 -5.679 -6.316 91 HD21 LEU 16 HD21 LEU 16 6.254 -4.986 -3.066 92 HD22 LEU 16 HD22 LEU 16 4.865 -4.488 -4.070 93 HD23 LEU 16 HD23 LEU 16 6.524 -4.169 -4.605 94 H ASP 17 H ASP 17 4.258 -10.052 -3.269 95 HA ASP 17 HA ASP 17 1.880 -9.748 -1.779 96 HB2 ASP 17 HB2 ASP 17 2.319 -11.485 -3.498 97 HB3 ASP 17 HB3 ASP 17 3.455 -12.294 -2.421 98 H ALA 18 H ALA 18 5.034 -11.054 -0.689 99 HA ALA 18 HA ALA 18 4.160 -11.821 1.956 100 HB1 ALA 18 HB1 ALA 18 6.583 -11.964 2.425 101 HB2 ALA 18 HB2 ALA 18 6.176 -12.742 0.884 102 HB3 ALA 18 HB3 ALA 18 6.935 -11.135 0.893 103 H LEU 19 H LEU 19 5.813 -8.884 0.726 104 HA LEU 19 HA LEU 19 5.977 -7.439 3.179 105 HB2 LEU 19 HB2 LEU 19 7.338 -7.039 1.256 106 HB3 LEU 19 HB3 LEU 19 5.963 -6.629 0.253 107 HG LEU 19 HG LEU 19 6.494 -4.947 2.715 108 HD11 LEU 19 HD11 LEU 19 8.705 -5.166 1.687 109 HD12 LEU 19 HD12 LEU 19 8.050 -3.546 1.379 110 HD13 LEU 19 HD13 LEU 19 8.033 -4.757 0.089 111 HD21 LEU 19 HD21 LEU 19 5.769 -3.144 1.092 112 HD22 LEU 19 HD22 LEU 19 4.516 -4.371 1.368 113 HD23 LEU 19 HD23 LEU 19 5.486 -4.389 -0.123 114 H LEU 20 H LEU 20 3.447 -7.459 0.690 115 HA LEU 20 HA LEU 20 1.666 -5.543 1.904 116 HB2 LEU 20 HB2 LEU 20 1.317 -7.749 -0.118 117 HB3 LEU 20 HB3 LEU 20 0.024 -6.633 0.288 118 HG LEU 20 HG LEU 20 2.720 -5.602 -0.704 119 HD11 LEU 20 HD11 LEU 20 1.814 -5.479 -2.950 120 HD12 LEU 20 HD12 LEU 20 0.263 -6.158 -2.420 121 HD13 LEU 20 HD13 LEU 20 1.731 -7.162 -2.422 122 HD21 LEU 20 HD21 LEU 20 1.357 -3.660 -1.353 123 HD22 LEU 20 HD22 LEU 20 1.228 -3.985 0.386 124 HD23 LEU 20 HD23 LEU 20 -0.093 -4.451 -0.712 125 H SER 21 H SER 21 1.730 -9.167 1.987 126 HA SER 21 HA SER 21 -0.577 -9.514 3.614 127 HB2 SER 21 HB2 SER 21 0.576 -11.312 2.376 128 HB3 SER 21 HB3 SER 21 1.962 -11.195 3.486 129 HG SER 21 HG SER 21 0.454 -12.866 4.042 130 H ALA 22 H ALA 22 2.796 -8.729 4.554 131 HA ALA 22 HA ALA 22 2.338 -9.097 7.385 132 HB1 ALA 22 HB1 ALA 22 4.540 -9.317 6.269 133 HB2 ALA 22 HB2 ALA 22 4.529 -7.573 5.913 134 HB3 ALA 22 HB3 ALA 22 4.571 -8.156 7.603 135 H VAL 23 H VAL 23 2.014 -6.237 5.217 136 HA VAL 23 HA VAL 23 1.506 -4.471 7.537 137 HB VAL 23 HB VAL 23 2.660 -3.530 5.671 138 HG11 VAL 23 HG11 VAL 23 0.195 -4.054 3.990 139 HG12 VAL 23 HG12 VAL 23 1.645 -3.130 3.519 140 HG13 VAL 23 HG13 VAL 23 1.787 -4.837 3.871 141 HG21 VAL 23 HG21 VAL 23 -0.119 -2.289 5.678 142 HG22 VAL 23 HG22 VAL 23 1.061 -2.056 6.980 143 HG23 VAL 23 HG23 VAL 23 1.432 -1.495 5.337 144 H ARG 24 H ARG 24 -0.452 -6.267 5.195 145 HA ARG 24 HA ARG 24 -2.989 -5.196 6.000 146 HB2 ARG 24 HB2 ARG 24 -2.599 -6.431 3.903 147 HB3 ARG 24 HB3 ARG 24 -2.222 -7.891 4.806 148 HG2 ARG 24 HG2 ARG 24 -4.475 -7.993 3.851 149 HG3 ARG 24 HG3 ARG 24 -4.514 -8.065 5.610 150 HD2 ARG 24 HD2 ARG 24 -5.051 -5.555 5.612 151 HD3 ARG 24 HD3 ARG 24 -5.143 -5.651 3.855 152 HE ARG 24 HE ARG 24 -7.210 -6.701 4.031 153 HH11 ARG 24 HH11 ARG 24 -5.772 -6.777 7.250 154 HH12 ARG 24 HH12 ARG 24 -7.287 -7.250 7.988 155 HH21 ARG 24 HH21 ARG 24 -9.065 -7.358 5.045 156 HH22 ARG 24 HH22 ARG 24 -9.079 -7.597 6.770 157 H ASP 25 H ASP 25 -0.961 -7.652 7.474 158 HA ASP 25 HA ASP 25 -3.004 -8.192 9.560 159 HB2 ASP 25 HB2 ASP 25 -1.657 -10.024 8.376 160 HB3 ASP 25 HB3 ASP 25 -0.252 -9.458 9.280 161 H ASN 26 H ASN 26 -1.147 -5.665 9.161 162 HA ASN 26 HA ASN 26 -0.209 -4.080 10.381 163 HB2 ASN 26 HB2 ASN 26 -2.482 -4.332 11.439 164 HB3 ASN 26 HB3 ASN 26 -1.711 -5.237 12.737 165 HD21 ASN 26 HD21 ASN 26 -1.510 -3.887 14.505 166 HD22 ASN 26 HD22 ASN 26 -1.069 -2.186 14.411 167 H ARG 27 H ARG 27 1.367 -6.535 10.151 168 HA ARG 27 HA ARG 27 3.165 -6.434 12.518 169 HB2 ARG 27 HB2 ARG 27 3.356 -8.160 10.043 170 HB3 ARG 27 HB3 ARG 27 4.348 -8.256 11.511 171 HG2 ARG 27 HG2 ARG 27 2.154 -8.656 12.810 172 HG3 ARG 27 HG3 ARG 27 1.380 -8.824 11.225 173 HD2 ARG 27 HD2 ARG 27 3.234 -10.524 10.712 174 HD3 ARG 27 HD3 ARG 27 3.556 -10.535 12.449 175 HE ARG 27 HE ARG 27 0.779 -11.063 11.404 176 HH11 ARG 27 HH11 ARG 27 3.473 -12.402 13.215 177 HH12 ARG 27 HH12 ARG 27 2.503 -13.751 13.759 178 HH21 ARG 27 HH21 ARG 27 -0.315 -12.651 12.060 179 HH22 ARG 27 HH22 ARG 27 0.347 -13.923 13.103 180 H LEU 28 H LEU 28 2.935 -5.139 9.310 181 HA LEU 28 HA LEU 28 5.682 -3.978 9.456 182 HB2 LEU 28 HB2 LEU 28 4.972 -5.874 7.779 183 HB3 LEU 28 HB3 LEU 28 4.103 -4.610 6.947 184 HG LEU 28 HG LEU 28 6.147 -5.025 5.832 185 HD11 LEU 28 HD11 LEU 28 5.481 -2.636 6.073 186 HD12 LEU 28 HD12 LEU 28 7.200 -2.932 5.719 187 HD13 LEU 28 HD13 LEU 28 6.696 -2.534 7.371 188 HD21 LEU 28 HD21 LEU 28 7.656 -4.378 8.411 189 HD22 LEU 28 HD22 LEU 28 8.361 -4.839 6.861 190 HD23 LEU 28 HD23 LEU 28 7.412 -6.021 7.782 191 H SER 29 H SER 29 5.834 -1.746 9.088 192 HA SER 29 HA SER 29 3.315 -0.196 9.205 193 HB2 SER 29 HB2 SER 29 6.190 0.712 9.466 194 HB3 SER 29 HB3 SER 29 4.760 1.725 9.698 195 HG SER 29 HG SER 29 5.539 0.885 11.680 196 H ILE 30 H ILE 30 2.926 1.732 7.904 197 HA ILE 30 HA ILE 30 3.097 1.359 5.072 198 HB ILE 30 HB ILE 30 2.733 3.929 6.680 199 HG12 ILE 30 HG12 ILE 30 1.006 2.264 7.285 200 HG13 ILE 30 HG13 ILE 30 0.357 3.672 6.457 201 HG21 ILE 30 HG21 ILE 30 3.268 4.551 4.435 202 HG22 ILE 30 HG22 ILE 30 2.185 3.333 3.756 203 HG23 ILE 30 HG23 ILE 30 1.513 4.723 4.611 204 HD11 ILE 30 HD11 ILE 30 0.822 0.954 5.166 205 HD12 ILE 30 HD12 ILE 30 -0.736 1.618 5.704 206 HD13 ILE 30 HD13 ILE 30 0.115 2.393 4.377 207 H GLU 31 H GLU 31 5.081 3.528 7.181 208 HA GLU 31 HA GLU 31 6.768 4.494 5.065 209 HB2 GLU 31 HB2 GLU 31 7.227 4.246 8.070 210 HB3 GLU 31 HB3 GLU 31 8.326 5.100 6.988 211 HG2 GLU 31 HG2 GLU 31 5.399 5.829 7.429 212 HG3 GLU 31 HG3 GLU 31 6.746 6.585 8.243 213 H GLN 32 H GLN 32 7.041 1.632 7.144 214 HA GLN 32 HA GLN 32 9.734 0.879 6.383 215 HB2 GLN 32 HB2 GLN 32 7.375 -0.569 7.586 216 HB3 GLN 32 HB3 GLN 32 8.943 -1.358 7.308 217 HG2 GLN 32 HG2 GLN 32 9.986 0.249 8.872 218 HG3 GLN 32 HG3 GLN 32 8.430 1.053 9.109 219 HE21 GLN 32 HE21 GLN 32 9.868 -0.025 11.311 220 HE22 GLN 32 HE22 GLN 32 8.947 -1.394 11.915 221 H ALA 33 H ALA 33 6.449 -0.130 5.239 222 HA ALA 33 HA ALA 33 7.397 -1.926 3.232 223 HB1 ALA 33 HB1 ALA 33 4.808 -0.417 3.738 224 HB2 ALA 33 HB2 ALA 33 5.006 -1.445 2.313 225 HB3 ALA 33 HB3 ALA 33 5.158 -2.160 3.934 226 H VAL 34 H VAL 34 7.193 1.598 3.191 227 HA VAL 34 HA VAL 34 7.674 1.814 0.299 228 HB VAL 34 HB VAL 34 7.745 3.845 2.556 229 HG11 VAL 34 HG11 VAL 34 7.752 5.568 0.747 230 HG12 VAL 34 HG12 VAL 34 9.259 4.654 0.818 231 HG13 VAL 34 HG13 VAL 34 8.059 4.289 -0.442 232 HG21 VAL 34 HG21 VAL 34 5.475 2.964 1.934 233 HG22 VAL 34 HG22 VAL 34 5.686 4.670 1.568 234 HG23 VAL 34 HG23 VAL 34 5.772 3.448 0.276 235 H THR 35 H THR 35 9.710 2.061 3.290 236 HA THR 35 HA THR 35 12.065 2.640 1.735 237 HB THR 35 HB THR 35 11.596 3.116 4.253 238 HG1 THR 35 HG1 THR 35 13.389 3.848 3.258 239 HG21 THR 35 HG21 THR 35 12.759 1.699 5.818 240 HG22 THR 35 HG22 THR 35 13.223 0.553 4.546 241 HG23 THR 35 HG23 THR 35 11.522 0.716 5.026 242 H LEU 36 H LEU 36 10.659 -0.407 2.766 243 HA LEU 36 HA LEU 36 12.902 -2.019 1.831 244 HB2 LEU 36 HB2 LEU 36 10.043 -2.752 2.562 245 HB3 LEU 36 HB3 LEU 36 11.325 -3.900 2.193 246 HG LEU 36 HG LEU 36 11.293 -1.972 4.554 247 HD11 LEU 36 HD11 LEU 36 9.726 -3.873 4.720 248 HD12 LEU 36 HD12 LEU 36 11.055 -3.999 5.887 249 HD13 LEU 36 HD13 LEU 36 11.068 -5.004 4.418 250 HD21 LEU 36 HD21 LEU 36 13.594 -2.248 3.899 251 HD22 LEU 36 HD22 LEU 36 13.385 -4.018 3.742 252 HD23 LEU 36 HD23 LEU 36 13.287 -3.229 5.337 253 H LEU 37 H LEU 37 10.205 -0.546 0.196 254 HA LEU 37 HA LEU 37 10.251 -2.271 -2.150 255 HB2 LEU 37 HB2 LEU 37 8.316 -0.822 -1.429 256 HB3 LEU 37 HB3 LEU 37 9.293 0.595 -1.803 257 HG LEU 37 HG LEU 37 9.443 -0.358 -4.225 258 HD11 LEU 37 HD11 LEU 37 7.580 -1.809 -4.873 259 HD12 LEU 37 HD12 LEU 37 7.032 -1.910 -3.183 260 HD13 LEU 37 HD13 LEU 37 8.579 -2.644 -3.675 261 HD21 LEU 37 HD21 LEU 37 6.876 0.655 -2.993 262 HD22 LEU 37 HD22 LEU 37 7.188 0.585 -4.748 263 HD23 LEU 37 HD23 LEU 37 8.187 1.617 -3.708 264 H THR 38 H THR 38 11.919 0.690 -1.163 265 HA THR 38 HA THR 38 12.525 1.749 -3.653 266 HB THR 38 HB THR 38 14.026 2.113 -1.046 267 HG1 THR 38 HG1 THR 38 11.816 2.737 -1.046 268 HG21 THR 38 HG21 THR 38 15.449 2.953 -2.857 269 HG22 THR 38 HG22 THR 38 14.702 4.316 -2.021 270 HG23 THR 38 HG23 THR 38 14.060 3.781 -3.603 271 HA PRO 39 HA PRO 39 15.902 -1.055 -4.890 272 HB2 PRO 39 HB2 PRO 39 15.971 -0.514 -7.543 273 HB3 PRO 39 HB3 PRO 39 14.582 -1.367 -6.799 274 HG2 PRO 39 HG2 PRO 39 14.812 1.587 -7.452 275 HG3 PRO 39 HG3 PRO 39 13.480 0.457 -7.865 276 HD2 PRO 39 HD2 PRO 39 13.456 2.122 -5.671 277 HD3 PRO 39 HD3 PRO 39 12.641 0.521 -5.682 278 H ARG 40 H ARG 40 18.014 -0.796 -6.082 279 HA ARG 40 HA ARG 40 19.550 1.384 -4.954 280 HB2 ARG 40 HB2 ARG 40 20.267 -0.867 -6.846 281 HB3 ARG 40 HB3 ARG 40 21.429 0.329 -6.256 282 HG2 ARG 40 HG2 ARG 40 20.974 -0.296 -3.915 283 HG3 ARG 40 HG3 ARG 40 19.745 -1.458 -4.454 284 HD2 ARG 40 HD2 ARG 40 21.761 -2.658 -3.969 285 HD3 ARG 40 HD3 ARG 40 21.464 -2.693 -5.709 286 HE ARG 40 HE ARG 40 23.401 -0.765 -4.446 287 HH11 ARG 40 HH11 ARG 40 22.900 -3.242 -6.933 288 HH12 ARG 40 HH12 ARG 40 24.571 -3.159 -7.419 289 HH21 ARG 40 HH21 ARG 40 25.435 -0.606 -5.291 290 HH22 ARG 40 HH22 ARG 40 25.878 -1.570 -6.674 291 H ARG 41 H ARG 41 18.001 1.071 -8.023 292 HA ARG 41 HA ARG 41 19.501 3.399 -9.184 293 HB2 ARG 41 HB2 ARG 41 19.706 1.266 -10.363 294 HB3 ARG 41 HB3 ARG 41 17.952 1.198 -10.590 295 HG2 ARG 41 HG2 ARG 41 17.982 3.129 -12.040 296 HG3 ARG 41 HG3 ARG 41 19.656 3.532 -11.588 297 HD2 ARG 41 HD2 ARG 41 20.464 1.464 -12.595 298 HD3 ARG 41 HD3 ARG 41 18.815 0.978 -13.011 299 HE ARG 41 HE ARG 41 20.466 3.105 -14.285 300 HH11 ARG 41 HH11 ARG 41 17.334 1.510 -14.288 301 HH12 ARG 41 HH12 ARG 41 16.931 2.136 -15.864 302 HH21 ARG 41 HH21 ARG 41 19.890 3.842 -16.264 303 HH22 ARG 41 HH22 ARG 41 18.339 3.446 -16.942 304 H GLY 42 H GLY 42 18.461 5.220 -9.784 305 HA2 GLY 42 HA2 GLY 42 15.958 5.814 -8.527 306 HA3 GLY 42 HA3 GLY 42 16.891 6.881 -9.571 307 H GLY 43 H GLY 43 16.674 4.900 -11.864 308 HA2 GLY 43 HA2 GLY 43 15.293 4.414 -13.655 309 HA3 GLY 43 HA3 GLY 43 13.934 4.435 -12.535 310 H GLY 44 H GLY 44 12.643 5.346 -14.201 311 HA2 GLY 44 HA2 GLY 44 12.319 8.172 -14.125 312 HA3 GLY 44 HA3 GLY 44 13.127 7.736 -15.629 313 H SER 45 H SER 45 10.929 8.888 -16.179 314 HA SER 45 HA SER 45 8.838 8.846 -17.065 315 HB2 SER 45 HB2 SER 45 9.747 6.124 -18.031 316 HB3 SER 45 HB3 SER 45 8.449 7.110 -18.732 317 HG SER 45 HG SER 45 10.473 7.372 -19.817 318 H GLY 46 H GLY 46 8.550 8.320 -14.410 319 HA2 GLY 46 HA2 GLY 46 6.978 6.023 -13.739 320 HA3 GLY 46 HA3 GLY 46 7.097 7.526 -12.815 321 H GLY 47 H GLY 47 4.781 6.080 -12.894 322 HA2 GLY 47 HA2 GLY 47 2.893 6.827 -14.925 323 HA3 GLY 47 HA3 GLY 47 2.552 5.980 -13.424 324 H GLY 48 H GLY 48 3.879 9.299 -13.779 325 HA2 GLY 48 HA2 GLY 48 3.038 11.370 -13.173 326 HA3 GLY 48 HA3 GLY 48 1.412 10.687 -13.263 327 H SER 49 H SER 49 0.357 10.954 -11.402 328 HA SER 49 HA SER 49 1.736 11.419 -8.857 329 HB2 SER 49 HB2 SER 49 -1.227 11.474 -9.538 330 HB3 SER 49 HB3 SER 49 -0.506 11.970 -7.999 331 HG SER 49 HG SER 49 -0.022 13.150 -10.552 332 H MET 50 H MET 50 2.382 8.932 -9.494 333 HA MET 50 HA MET 50 0.845 7.155 -7.636 334 HB2 MET 50 HB2 MET 50 2.816 6.521 -9.859 335 HB3 MET 50 HB3 MET 50 2.328 5.364 -8.618 336 HG2 MET 50 HG2 MET 50 -0.037 5.625 -9.291 337 HG3 MET 50 HG3 MET 50 0.456 6.727 -10.584 338 HE1 MET 50 HE1 MET 50 -0.849 5.241 -12.367 339 HE2 MET 50 HE2 MET 50 -0.630 3.487 -12.539 340 HE3 MET 50 HE3 MET 50 -1.361 4.146 -11.060 341 H ASP 51 H ASP 51 1.646 6.966 -5.681 342 HA ASP 51 HA ASP 51 4.559 7.096 -5.172 343 HB2 ASP 51 HB2 ASP 51 2.511 8.556 -3.478 344 HB3 ASP 51 HB3 ASP 51 4.248 8.491 -3.201 345 H ALA 52 H ALA 52 5.281 5.523 -3.820 346 HA ALA 52 HA ALA 52 3.653 3.298 -3.295 347 HB1 ALA 52 HB1 ALA 52 5.600 2.475 -2.020 348 HB2 ALA 52 HB2 ALA 52 6.067 3.188 -3.580 349 HB3 ALA 52 HB3 ALA 52 6.316 4.109 -2.076 350 H LYS 53 H LYS 53 4.366 6.013 -1.131 351 HA LYS 53 HA LYS 53 3.359 4.875 1.301 352 HB2 LYS 53 HB2 LYS 53 4.789 6.997 0.838 353 HB3 LYS 53 HB3 LYS 53 3.274 7.848 0.566 354 HG2 LYS 53 HG2 LYS 53 3.933 6.286 3.093 355 HG3 LYS 53 HG3 LYS 53 4.355 7.983 2.856 356 HD2 LYS 53 HD2 LYS 53 2.006 8.638 2.704 357 HD3 LYS 53 HD3 LYS 53 1.495 6.950 2.815 358 HE2 LYS 53 HE2 LYS 53 1.187 7.993 4.955 359 HE3 LYS 53 HE3 LYS 53 2.422 6.726 5.051 360 HZ1 LYS 53 HZ1 LYS 53 4.134 8.349 5.121 361 HZ2 LYS 53 HZ2 LYS 53 3.027 8.827 6.209 362 HZ3 LYS 53 HZ3 LYS 53 3.104 9.593 4.769 363 H GLU 54 H GLU 54 1.779 6.969 -1.067 364 HA GLU 54 HA GLU 54 -0.871 6.893 0.001 365 HB2 GLU 54 HB2 GLU 54 -0.059 8.549 -1.649 366 HB3 GLU 54 HB3 GLU 54 0.102 7.289 -2.858 367 HG2 GLU 54 HG2 GLU 54 -1.870 8.462 -3.372 368 HG3 GLU 54 HG3 GLU 54 -2.344 6.886 -2.779 369 H ILE 55 H ILE 55 0.713 4.776 -2.444 370 HA ILE 55 HA ILE 55 -1.527 3.110 -3.009 371 HB ILE 55 HB ILE 55 1.461 2.573 -3.131 372 HG12 ILE 55 HG12 ILE 55 -0.431 2.971 -5.470 373 HG13 ILE 55 HG13 ILE 55 0.258 4.370 -4.662 374 HG21 ILE 55 HG21 ILE 55 -0.870 0.880 -4.102 375 HG22 ILE 55 HG22 ILE 55 0.775 0.680 -4.707 376 HG23 ILE 55 HG23 ILE 55 0.441 0.394 -3.001 377 HD11 ILE 55 HD11 ILE 55 1.941 2.142 -5.896 378 HD12 ILE 55 HD12 ILE 55 1.564 3.707 -6.658 379 HD13 ILE 55 HD13 ILE 55 2.541 3.645 -5.192 380 H LEU 56 H LEU 56 1.093 2.627 -0.554 381 HA LEU 56 HA LEU 56 -0.042 0.284 0.593 382 HB2 LEU 56 HB2 LEU 56 2.011 2.319 1.404 383 HB3 LEU 56 HB3 LEU 56 1.269 1.413 2.697 384 HG LEU 56 HG LEU 56 3.238 0.339 2.247 385 HD11 LEU 56 HD11 LEU 56 1.162 -1.122 2.540 386 HD12 LEU 56 HD12 LEU 56 2.585 -1.894 1.799 387 HD13 LEU 56 HD13 LEU 56 1.228 -1.414 0.790 388 HD21 LEU 56 HD21 LEU 56 2.437 0.203 -0.658 389 HD22 LEU 56 HD22 LEU 56 3.845 -0.632 0.062 390 HD23 LEU 56 HD23 LEU 56 3.791 1.134 0.061 391 H THR 57 H THR 57 -0.609 3.721 1.345 392 HA THR 57 HA THR 57 -2.223 3.292 3.669 393 HB THR 57 HB THR 57 -2.303 5.608 1.695 394 HG1 THR 57 HG1 THR 57 -0.298 5.349 2.620 395 HG21 THR 57 HG21 THR 57 -4.295 5.657 3.136 396 HG22 THR 57 HG22 THR 57 -3.151 6.903 3.639 397 HG23 THR 57 HG23 THR 57 -3.280 5.388 4.568 398 H ARG 58 H ARG 58 -3.202 3.661 0.213 399 HA ARG 58 HA ARG 58 -6.031 3.233 0.706 400 HB2 ARG 58 HB2 ARG 58 -4.368 2.794 -1.805 401 HB3 ARG 58 HB3 ARG 58 -6.132 2.744 -1.721 402 HG2 ARG 58 HG2 ARG 58 -6.221 5.100 -1.017 403 HG3 ARG 58 HG3 ARG 58 -4.455 5.194 -1.053 404 HD2 ARG 58 HD2 ARG 58 -4.504 4.549 -3.476 405 HD3 ARG 58 HD3 ARG 58 -6.281 4.635 -3.427 406 HE ARG 58 HE ARG 58 -4.911 7.048 -2.447 407 HH11 ARG 58 HH11 ARG 58 -6.212 5.642 -5.385 408 HH12 ARG 58 HH12 ARG 58 -6.324 7.205 -6.153 409 HH21 ARG 58 HH21 ARG 58 -5.024 8.869 -3.398 410 HH22 ARG 58 HH22 ARG 58 -5.647 9.047 -5.043 411 H PHE 59 H PHE 59 -3.390 0.921 -0.106 412 HA PHE 59 HA PHE 59 -5.072 -1.387 -0.240 413 HB2 PHE 59 HB2 PHE 59 -2.840 -1.413 -1.145 414 HB3 PHE 59 HB3 PHE 59 -2.131 -1.001 0.425 415 HD1 PHE 59 HD2 PHE 59 -4.327 -3.628 -1.153 416 HD2 PHE 59 HD1 PHE 59 -1.302 -2.720 1.782 417 HE1 PHE 59 HE2 PHE 59 -4.277 -6.010 -0.456 418 HE2 PHE 59 HE1 PHE 59 -1.208 -5.102 2.423 419 HZ PHE 59 HZ PHE 59 -2.705 -6.762 1.325 420 H LYS 60 H LYS 60 -3.254 -0.018 2.572 421 HA LYS 60 HA LYS 60 -4.142 -2.068 4.336 422 HB2 LYS 60 HB2 LYS 60 -2.126 -0.546 4.634 423 HB3 LYS 60 HB3 LYS 60 -3.242 0.721 5.178 424 HG2 LYS 60 HG2 LYS 60 -4.045 -0.827 6.994 425 HG3 LYS 60 HG3 LYS 60 -2.902 -2.061 6.413 426 HD2 LYS 60 HD2 LYS 60 -1.024 -0.439 6.895 427 HD3 LYS 60 HD3 LYS 60 -2.221 0.681 7.582 428 HE2 LYS 60 HE2 LYS 60 -2.883 -1.044 9.241 429 HE3 LYS 60 HE3 LYS 60 -1.734 -2.183 8.523 430 HZ1 LYS 60 HZ1 LYS 60 -1.006 0.386 9.829 431 HZ2 LYS 60 HZ2 LYS 60 0.063 -0.690 9.196 432 HZ3 LYS 60 HZ3 LYS 60 -0.825 -1.090 10.507 433 H ASP 61 H ASP 61 -5.567 1.093 3.590 434 HA ASP 61 HA ASP 61 -7.786 0.770 5.452 435 HB2 ASP 61 HB2 ASP 61 -7.427 2.694 3.136 436 HB3 ASP 61 HB3 ASP 61 -8.725 2.757 4.330 437 H GLY 62 H GLY 62 -7.203 -0.914 2.634 438 HA2 GLY 62 HA2 GLY 62 -8.529 -2.455 1.554 439 HA3 GLY 62 HA3 GLY 62 -9.899 -1.981 2.553 440 H GLY 63 H GLY 63 -8.485 0.663 0.895 441 HA2 GLY 63 HA2 GLY 63 -10.742 0.952 -1.004 442 HA3 GLY 63 HA3 GLY 63 -9.424 2.095 -0.697 443 H LEU 64 H LEU 64 -7.704 -0.564 -1.077 444 HA LEU 64 HA LEU 64 -7.670 -0.664 -4.059 445 HB2 LEU 64 HB2 LEU 64 -5.928 0.919 -2.981 446 HB3 LEU 64 HB3 LEU 64 -5.211 -0.527 -2.283 447 HG LEU 64 HG LEU 64 -4.918 -1.399 -4.664 448 HD11 LEU 64 HD11 LEU 64 -4.921 0.327 -6.446 449 HD12 LEU 64 HD12 LEU 64 -5.592 1.508 -5.292 450 HD13 LEU 64 HD13 LEU 64 -6.551 0.095 -5.788 451 HD21 LEU 64 HD21 LEU 64 -3.535 1.212 -3.932 452 HD22 LEU 64 HD22 LEU 64 -2.948 0.005 -5.095 453 HD23 LEU 64 HD23 LEU 64 -3.066 -0.403 -3.375 454 H ASP 65 H ASP 65 -7.344 -2.696 -4.913 455 HA ASP 65 HA ASP 65 -7.373 -5.020 -3.126 456 HB2 ASP 65 HB2 ASP 65 -7.140 -5.005 -6.144 457 HB3 ASP 65 HB3 ASP 65 -7.636 -6.340 -5.107 458 H ARG 66 H ARG 66 -5.780 -6.753 -3.153 459 HA ARG 66 HA ARG 66 -3.117 -5.763 -2.958 460 HB2 ARG 66 HB2 ARG 66 -4.247 -7.811 -1.799 461 HB3 ARG 66 HB3 ARG 66 -3.744 -8.719 -3.229 462 HG2 ARG 66 HG2 ARG 66 -1.385 -8.168 -2.796 463 HG3 ARG 66 HG3 ARG 66 -1.856 -7.016 -1.542 464 HD2 ARG 66 HD2 ARG 66 -1.098 -8.871 -0.362 465 HD3 ARG 66 HD3 ARG 66 -2.841 -8.961 -0.219 466 HE ARG 66 HE ARG 66 -1.018 -10.771 -1.712 467 HH11 ARG 66 HH21 ARG 66 -4.423 -10.189 -0.998 468 HH12 ARG 66 HH22 ARG 66 -4.837 -11.803 -1.503 469 HH21 ARG 66 HH11 ARG 66 -1.581 -12.655 -2.253 470 HH22 ARG 66 HH12 ARG 66 -3.262 -13.201 -2.217 471 H ALA 67 H ALA 67 -4.692 -7.487 -5.615 472 HA ALA 67 HA ALA 67 -2.416 -7.863 -7.289 473 HB1 ALA 67 HB1 ALA 67 -4.631 -8.925 -7.638 474 HB2 ALA 67 HB2 ALA 67 -5.347 -7.335 -7.996 475 HB3 ALA 67 HB3 ALA 67 -4.113 -8.022 -9.080 476 H ALA 68 H ALA 68 -4.609 -5.043 -6.952 477 HA ALA 68 HA ALA 68 -3.278 -3.457 -8.996 478 HB1 ALA 68 HB1 ALA 68 -5.639 -3.091 -8.383 479 HB2 ALA 68 HB2 ALA 68 -5.160 -2.648 -6.731 480 HB3 ALA 68 HB3 ALA 68 -4.673 -1.631 -8.095 481 H ALA 69 H ALA 69 -2.985 -3.688 -5.414 482 HA ALA 69 HA ALA 69 -1.048 -1.626 -5.096 483 HB1 ALA 69 HB1 ALA 69 -2.304 -2.727 -3.239 484 HB2 ALA 69 HB2 ALA 69 -1.340 -4.198 -3.486 485 HB3 ALA 69 HB3 ALA 69 -0.550 -2.695 -2.971 486 H GLN 70 H GLN 70 -0.513 -5.169 -5.713 487 HA GLN 70 HA GLN 70 2.321 -5.065 -5.872 488 HB2 GLN 70 HB2 GLN 70 0.331 -6.850 -7.322 489 HB3 GLN 70 HB3 GLN 70 2.082 -7.097 -7.350 490 HG2 GLN 70 HG2 GLN 70 2.179 -7.564 -5.020 491 HG3 GLN 70 HG3 GLN 70 0.525 -7.024 -4.747 492 HE21 GLN 70 HE21 GLN 70 2.465 -9.856 -5.415 493 HE22 GLN 70 HE22 GLN 70 1.102 -10.876 -5.810 494 H ALA 71 H ALA 71 -0.104 -4.546 -8.501 495 HA ALA 71 HA ALA 71 1.746 -4.181 -10.625 496 HB1 ALA 71 HB1 ALA 71 -0.677 -4.569 -10.910 497 HB2 ALA 71 HB2 ALA 71 -1.035 -2.954 -10.243 498 HB3 ALA 71 HB3 ALA 71 -0.142 -3.112 -11.765 499 H LEU 72 H LEU 72 0.119 -1.667 -8.647 500 HA LEU 72 HA LEU 72 1.468 0.560 -9.800 501 HB2 LEU 72 HB2 LEU 72 -0.185 0.050 -7.319 502 HB3 LEU 72 HB3 LEU 72 0.540 1.623 -7.602 503 HG LEU 72 HG LEU 72 -0.775 2.179 -9.358 504 HD11 LEU 72 HD11 LEU 72 -1.687 -0.674 -9.814 505 HD12 LEU 72 HD12 LEU 72 -0.556 0.237 -10.843 506 HD13 LEU 72 HD13 LEU 72 -2.237 0.763 -10.683 507 HD21 LEU 72 HD21 LEU 72 -3.079 1.755 -8.688 508 HD22 LEU 72 HD22 LEU 72 -2.072 1.926 -7.229 509 HD23 LEU 72 HD23 LEU 72 -2.584 0.311 -7.778 510 H LEU 73 H LEU 73 2.309 -1.392 -6.909 511 HA LEU 73 HA LEU 73 4.555 0.273 -6.135 512 HB2 LEU 73 HB2 LEU 73 3.799 -2.620 -5.547 513 HB3 LEU 73 HB3 LEU 73 5.211 -1.840 -4.862 514 HG LEU 73 HG LEU 73 2.382 -0.804 -4.472 515 HD11 LEU 73 HD11 LEU 73 2.648 -3.025 -3.446 516 HD12 LEU 73 HD12 LEU 73 2.499 -1.757 -2.227 517 HD13 LEU 73 HD13 LEU 73 4.095 -2.463 -2.583 518 HD21 LEU 73 HD21 LEU 73 4.229 0.894 -4.142 519 HD22 LEU 73 HD22 LEU 73 4.842 -0.160 -2.851 520 HD23 LEU 73 HD23 LEU 73 3.232 0.573 -2.738 521 H ALA 74 H ALA 74 4.250 -2.537 -8.313 522 HA ALA 74 HA ALA 74 7.089 -2.548 -8.965 523 HB1 ALA 74 HB1 ALA 74 6.449 -4.207 -10.629 524 HB2 ALA 74 HB2 ALA 74 5.666 -4.566 -9.088 525 HB3 ALA 74 HB3 ALA 74 4.729 -3.821 -10.412 526 H GLY 75 H GLY 75 4.822 -0.224 -9.659 527 HA2 GLY 75 HA2 GLY 75 5.023 1.676 -10.948 528 HA3 GLY 75 HA3 GLY 75 6.527 1.036 -11.638 529 H ARG 76 H ARG 76 3.575 -0.839 -11.890 530 HA ARG 76 HA ARG 76 3.239 -0.124 -14.793 531 HB2 ARG 76 HB2 ARG 76 3.365 -2.888 -13.519 532 HB3 ARG 76 HB3 ARG 76 2.743 -2.583 -15.148 533 HG2 ARG 76 HG2 ARG 76 4.929 -1.575 -15.803 534 HG3 ARG 76 HG3 ARG 76 5.585 -1.982 -14.206 535 HD2 ARG 76 HD2 ARG 76 4.398 -4.034 -16.118 536 HD3 ARG 76 HD3 ARG 76 6.102 -3.590 -16.124 537 HE ARG 76 HE ARG 76 4.655 -5.112 -14.021 538 HH11 ARG 76 HH11 ARG 76 7.786 -3.749 -14.983 539 HH12 ARG 76 HH12 ARG 76 8.608 -4.828 -13.845 540 HH21 ARG 76 HH21 ARG 76 5.925 -6.381 -12.627 541 HH22 ARG 76 HH22 ARG 76 7.673 -6.122 -12.655 542 H THR 77 H THR 77 1.154 -0.651 -15.723 543 HA THR 77 HA THR 77 -1.063 -0.066 -13.917 544 HB THR 77 HB THR 77 -2.463 -0.359 -16.006 545 HG1 THR 77 HG1 THR 77 -1.309 -0.377 -17.946 546 HG21 THR 77 HG21 THR 77 -1.746 1.763 -16.995 547 HG22 THR 77 HG22 THR 77 -0.149 1.636 -16.219 548 HG23 THR 77 HG23 THR 77 -1.608 1.851 -15.228 549 HA PRO 78 HA PRO 78 -2.164 -4.295 -13.117 550 HB2 PRO 78 HB2 PRO 78 -4.787 -4.099 -12.381 551 HB3 PRO 78 HB3 PRO 78 -3.429 -3.503 -11.379 552 HG2 PRO 78 HG2 PRO 78 -5.214 -1.913 -13.238 553 HG3 PRO 78 HG3 PRO 78 -4.690 -1.510 -11.564 554 HD2 PRO 78 HD2 PRO 78 -3.461 -0.493 -13.804 555 HD3 PRO 78 HD3 PRO 78 -2.580 -0.839 -12.283 556 H ALA 79 H ALA 79 -3.135 -6.101 -14.092 557 HA ALA 79 HA ALA 79 -3.732 -5.774 -16.899 558 HB1 ALA 79 HB1 ALA 79 -2.297 -7.574 -16.049 559 HB2 ALA 79 HB2 ALA 79 -3.661 -8.261 -15.143 560 HB3 ALA 79 HB3 ALA 79 -3.687 -8.237 -16.921 561 H ALA 80 H ALA 80 -5.555 -6.436 -18.066 562 HA ALA 80 HA ALA 80 -8.166 -6.173 -16.747 563 HB1 ALA 80 HB1 ALA 80 -7.685 -5.085 -18.912 564 HB2 ALA 80 HB2 ALA 80 -7.403 -6.686 -19.653 565 HB3 ALA 80 HB3 ALA 80 -9.013 -6.251 -19.054 566 H ALA 81 H ALA 81 -9.887 -7.722 -16.980 567 HA ALA 81 HA ALA 81 -9.080 -10.527 -16.784 568 HB1 ALA 81 HB1 ALA 81 -11.464 -10.910 -16.297 569 HB2 ALA 81 HB2 ALA 81 -10.756 -9.656 -15.258 570 HB3 ALA 81 HB3 ALA 81 -11.805 -9.199 -16.616 571 HA PRO 82 HA PRO 82 -9.974 -11.115 -21.178 572 HB2 PRO 82 HB2 PRO 82 -9.193 -13.701 -21.502 573 HB3 PRO 82 HB3 PRO 82 -8.032 -12.415 -21.075 574 HG2 PRO 82 HG2 PRO 82 -9.458 -14.321 -19.182 575 HG3 PRO 82 HG3 PRO 82 -7.697 -14.002 -19.301 576 HD2 PRO 82 HD2 PRO 82 -9.305 -12.723 -17.494 577 HD3 PRO 82 HD3 PRO 82 -7.927 -11.890 -18.270 578 H ARG 83 H ARG 83 -12.112 -11.584 -19.037 579 HA ARG 83 HA ARG 83 -14.036 -13.177 -20.654 580 HB2 ARG 83 HB2 ARG 83 -13.000 -14.613 -18.876 581 HB3 ARG 83 HB3 ARG 83 -13.630 -13.505 -17.653 582 HG2 ARG 83 HG2 ARG 83 -15.968 -14.039 -18.444 583 HG3 ARG 83 HG3 ARG 83 -15.270 -15.150 -19.636 584 HD2 ARG 83 HD2 ARG 83 -16.005 -16.449 -17.767 585 HD3 ARG 83 HD3 ARG 83 -14.238 -16.443 -17.760 586 HE ARG 83 HE ARG 83 -15.364 -14.324 -16.105 587 HH11 ARG 83 HH11 ARG 83 -14.670 -17.755 -16.006 588 HH12 ARG 83 HH12 ARG 83 -14.548 -17.772 -14.266 589 HH21 ARG 83 HH21 ARG 83 -15.188 -14.412 -13.888 590 HH22 ARG 83 HH22 ARG 83 -14.853 -15.931 -13.105 591 HA PRO 84 HA PRO 84 -16.715 -9.663 -19.792 592 HB2 PRO 84 HB2 PRO 84 -18.885 -11.763 -19.905 593 HB3 PRO 84 HB3 PRO 84 -18.854 -10.138 -20.652 594 HG2 PRO 84 HG2 PRO 84 -18.301 -12.324 -22.147 595 HG3 PRO 84 HG3 PRO 84 -17.258 -10.869 -22.301 596 HD2 PRO 84 HD2 PRO 84 -16.755 -13.391 -20.695 597 HD3 PRO 84 HD3 PRO 84 -15.649 -12.499 -21.788 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 21.216 -22.434 -10.662 2 H2 GLY 1 H2 GLY 1 22.656 -22.072 -9.975 3 H3 GLY 1 H3 GLY 1 21.467 -20.938 -10.050 4 HA2 GLY 1 HA2 GLY 1 21.327 -23.418 -8.478 5 HA3 GLY 1 HA3 GLY 1 21.648 -21.801 -7.829 6 HA PRO 2 HA PRO 2 17.069 -22.520 -7.610 7 HB2 PRO 2 HB2 PRO 2 16.649 -21.589 -5.081 8 HB3 PRO 2 HB3 PRO 2 17.261 -23.231 -5.409 9 HG2 PRO 2 HG2 PRO 2 18.875 -20.756 -4.722 10 HG3 PRO 2 HG3 PRO 2 18.983 -22.383 -3.971 11 HD2 PRO 2 HD2 PRO 2 20.677 -21.563 -5.950 12 HD3 PRO 2 HD3 PRO 2 20.102 -23.256 -5.868 13 H GLY 3 H GLY 3 15.340 -21.032 -7.669 14 HA2 GLY 3 HA2 GLY 3 15.971 -18.354 -8.627 15 HA3 GLY 3 HA3 GLY 3 14.371 -19.052 -8.414 16 H SER 4 H SER 4 14.765 -16.452 -7.836 17 HA SER 4 HA SER 4 14.600 -14.784 -6.290 18 HB2 SER 4 HB2 SER 4 13.037 -16.908 -4.789 19 HB3 SER 4 HB3 SER 4 12.883 -15.159 -4.590 20 HG SER 4 HG SER 4 11.286 -16.037 -6.003 21 H TYR 5 H TYR 5 17.124 -15.927 -5.980 22 HA TYR 5 HA TYR 5 17.751 -16.656 -3.303 23 HB2 TYR 5 HB2 TYR 5 19.102 -17.145 -5.358 24 HB3 TYR 5 HB3 TYR 5 19.592 -15.449 -5.382 25 HD1 TYR 5 HD2 TYR 5 19.692 -18.592 -3.370 26 HD2 TYR 5 HD1 TYR 5 21.385 -14.665 -3.952 27 HE1 TYR 5 HE2 TYR 5 21.506 -19.122 -1.732 28 HE2 TYR 5 HE1 TYR 5 23.200 -15.199 -2.353 29 HH TYR 5 HH TYR 5 24.084 -16.761 -0.922 30 H THR 6 H THR 6 18.775 -15.533 -1.597 31 HA THR 6 HA THR 6 17.670 -12.966 -1.130 32 HB THR 6 HB THR 6 18.071 -14.553 0.649 33 HG1 THR 6 HG1 THR 6 18.791 -13.055 2.128 34 HG21 THR 6 HG21 THR 6 20.322 -15.428 0.003 35 HG22 THR 6 HG22 THR 6 20.233 -14.889 1.681 36 HG23 THR 6 HG23 THR 6 21.040 -13.879 0.476 37 H GLY 7 H GLY 7 18.320 -10.928 -1.282 38 HA2 GLY 7 HA2 GLY 7 19.545 -9.066 -1.766 39 HA3 GLY 7 HA3 GLY 7 21.004 -9.994 -1.426 40 H ALA 8 H ALA 8 19.543 -11.647 -3.936 41 HA ALA 8 HA ALA 8 20.800 -10.009 -6.099 42 HB1 ALA 8 HB1 ALA 8 21.308 -12.958 -5.521 43 HB2 ALA 8 HB2 ALA 8 22.016 -12.028 -6.841 44 HB3 ALA 8 HB3 ALA 8 22.453 -11.639 -5.164 45 H GLY 9 H GLY 9 18.153 -12.096 -5.234 46 HA2 GLY 9 HA2 GLY 9 17.455 -13.011 -7.844 47 HA3 GLY 9 HA3 GLY 9 16.390 -12.920 -6.442 48 H GLU 10 H GLU 10 15.652 -12.445 -9.136 49 HA GLU 10 HA GLU 10 15.370 -9.627 -9.696 50 HB2 GLU 10 HB2 GLU 10 13.934 -12.099 -10.760 51 HB3 GLU 10 HB3 GLU 10 13.702 -10.469 -11.407 52 HG2 GLU 10 HG2 GLU 10 16.114 -10.323 -11.967 53 HG3 GLU 10 HG3 GLU 10 16.367 -11.961 -11.356 54 HA PRO 11 HA PRO 11 11.737 -8.601 -7.280 55 HB2 PRO 11 HB2 PRO 11 10.361 -6.885 -8.928 56 HB3 PRO 11 HB3 PRO 11 11.843 -6.438 -8.038 57 HG2 PRO 11 HG2 PRO 11 11.604 -7.366 -10.923 58 HG3 PRO 11 HG3 PRO 11 12.511 -5.949 -10.283 59 HD2 PRO 11 HD2 PRO 11 13.757 -8.288 -10.807 60 HD3 PRO 11 HD3 PRO 11 14.193 -7.328 -9.359 61 H SER 12 H SER 12 9.625 -9.301 -7.004 62 HA SER 12 HA SER 12 8.300 -10.923 -9.124 63 HB2 SER 12 HB2 SER 12 9.937 -12.418 -8.122 64 HB3 SER 12 HB3 SER 12 9.363 -12.015 -6.492 65 HG SER 12 HG SER 12 8.507 -14.010 -7.512 66 H GLN 13 H GLN 13 6.181 -11.373 -8.786 67 HA GLN 13 HA GLN 13 4.527 -9.833 -7.041 68 HB2 GLN 13 HB2 GLN 13 2.752 -11.329 -7.736 69 HB3 GLN 13 HB3 GLN 13 3.721 -10.836 -9.114 70 HG2 GLN 13 HG2 GLN 13 4.932 -13.044 -8.988 71 HG3 GLN 13 HG3 GLN 13 3.861 -13.522 -7.667 72 HE21 GLN 13 HE21 GLN 13 1.484 -13.719 -8.181 73 HE22 GLN 13 HE22 GLN 13 1.030 -14.061 -9.844 74 H ALA 14 H ALA 14 6.289 -12.849 -6.469 75 HA ALA 14 HA ALA 14 4.809 -13.497 -4.033 76 HB1 ALA 14 HB1 ALA 14 5.887 -15.218 -5.471 77 HB2 ALA 14 HB2 ALA 14 7.478 -14.547 -5.081 78 HB3 ALA 14 HB3 ALA 14 6.481 -15.275 -3.796 79 H ASP 15 H ASP 15 7.736 -11.700 -4.810 80 HA ASP 15 HA ASP 15 8.636 -11.376 -2.058 81 HB2 ASP 15 HB2 ASP 15 10.185 -11.298 -3.989 82 HB3 ASP 15 HB3 ASP 15 9.369 -9.851 -4.580 83 H LEU 16 H LEU 16 6.660 -9.530 -4.283 84 HA LEU 16 HA LEU 16 6.140 -7.301 -2.481 85 HB2 LEU 16 HB2 LEU 16 4.601 -8.378 -4.886 86 HB3 LEU 16 HB3 LEU 16 4.172 -6.911 -4.002 87 HG LEU 16 HG LEU 16 6.870 -7.238 -5.347 88 HD11 LEU 16 HD11 LEU 16 5.070 -7.425 -7.041 89 HD12 LEU 16 HD12 LEU 16 5.958 -5.901 -7.204 90 HD13 LEU 16 HD13 LEU 16 4.353 -5.916 -6.442 91 HD21 LEU 16 HD21 LEU 16 6.770 -5.458 -3.641 92 HD22 LEU 16 HD22 LEU 16 5.328 -4.771 -4.424 93 HD23 LEU 16 HD23 LEU 16 6.892 -4.766 -5.270 94 H ASP 17 H ASP 17 4.278 -10.308 -3.255 95 HA ASP 17 HA ASP 17 2.097 -9.851 -1.566 96 HB2 ASP 17 HB2 ASP 17 2.304 -11.698 -3.231 97 HB3 ASP 17 HB3 ASP 17 3.478 -12.502 -2.188 98 H ALA 18 H ALA 18 5.263 -11.255 -0.692 99 HA ALA 18 HA ALA 18 4.556 -11.892 2.035 100 HB1 ALA 18 HB1 ALA 18 6.957 -12.208 2.318 101 HB2 ALA 18 HB2 ALA 18 6.410 -12.934 0.796 102 HB3 ALA 18 HB3 ALA 18 7.265 -11.369 0.774 103 H LEU 19 H LEU 19 5.773 -8.918 0.530 104 HA LEU 19 HA LEU 19 6.397 -7.601 3.040 105 HB2 LEU 19 HB2 LEU 19 7.423 -6.934 0.854 106 HB3 LEU 19 HB3 LEU 19 5.828 -6.510 0.252 107 HG LEU 19 HG LEU 19 5.773 -4.838 2.320 108 HD11 LEU 19 HD11 LEU 19 7.884 -5.671 3.339 109 HD12 LEU 19 HD12 LEU 19 7.983 -3.961 2.890 110 HD13 LEU 19 HD13 LEU 19 8.756 -5.184 1.862 111 HD21 LEU 19 HD21 LEU 19 6.822 -3.105 0.894 112 HD22 LEU 19 HD22 LEU 19 5.666 -4.134 0.032 113 HD23 LEU 19 HD23 LEU 19 7.407 -4.383 -0.197 114 H LEU 20 H LEU 20 3.739 -7.548 0.686 115 HA LEU 20 HA LEU 20 2.107 -5.603 1.939 116 HB2 LEU 20 HB2 LEU 20 1.549 -7.804 -0.026 117 HB3 LEU 20 HB3 LEU 20 0.349 -6.578 0.356 118 HG LEU 20 HG LEU 20 3.094 -5.789 -0.687 119 HD11 LEU 20 HD11 LEU 20 2.026 -7.295 -2.352 120 HD12 LEU 20 HD12 LEU 20 2.167 -5.627 -2.926 121 HD13 LEU 20 HD13 LEU 20 0.593 -6.243 -2.372 122 HD21 LEU 20 HD21 LEU 20 1.955 -3.755 -1.339 123 HD22 LEU 20 HD22 LEU 20 1.689 -4.038 0.385 124 HD23 LEU 20 HD23 LEU 20 0.400 -4.395 -0.784 125 H SER 21 H SER 21 2.037 -9.208 2.153 126 HA SER 21 HA SER 21 -0.331 -9.468 3.707 127 HB2 SER 21 HB2 SER 21 0.403 -11.695 4.151 128 HB3 SER 21 HB3 SER 21 0.892 -11.303 2.502 129 HG SER 21 HG SER 21 2.550 -12.340 3.709 130 H ALA 22 H ALA 22 2.976 -8.665 4.685 131 HA ALA 22 HA ALA 22 2.497 -9.008 7.530 132 HB1 ALA 22 HB1 ALA 22 4.721 -8.064 7.760 133 HB2 ALA 22 HB2 ALA 22 4.723 -9.247 6.436 134 HB3 ALA 22 HB3 ALA 22 4.715 -7.510 6.067 135 H VAL 23 H VAL 23 2.362 -6.174 5.271 136 HA VAL 23 HA VAL 23 1.905 -4.348 7.537 137 HB VAL 23 HB VAL 23 3.139 -3.477 5.702 138 HG11 VAL 23 HG11 VAL 23 2.233 -3.117 3.502 139 HG12 VAL 23 HG12 VAL 23 2.261 -4.819 3.903 140 HG13 VAL 23 HG13 VAL 23 0.718 -3.936 3.947 141 HG21 VAL 23 HG21 VAL 23 0.428 -2.106 5.600 142 HG22 VAL 23 HG22 VAL 23 1.608 -1.905 6.919 143 HG23 VAL 23 HG23 VAL 23 2.022 -1.397 5.272 144 H ARG 24 H ARG 24 -0.153 -6.020 5.210 145 HA ARG 24 HA ARG 24 -2.561 -4.661 5.980 146 HB2 ARG 24 HB2 ARG 24 -2.034 -6.017 3.858 147 HB3 ARG 24 HB3 ARG 24 -2.343 -7.460 4.799 148 HG2 ARG 24 HG2 ARG 24 -4.279 -6.816 3.435 149 HG3 ARG 24 HG3 ARG 24 -4.694 -6.730 5.147 150 HD2 ARG 24 HD2 ARG 24 -4.388 -4.256 5.100 151 HD3 ARG 24 HD3 ARG 24 -3.856 -4.356 3.417 152 HE ARG 24 HE ARG 24 -6.034 -4.333 2.774 153 HH11 ARG 24 HH11 ARG 24 -6.070 -5.240 6.168 154 HH12 ARG 24 HH12 ARG 24 -7.808 -5.177 6.242 155 HH21 ARG 24 HH21 ARG 24 -8.240 -4.372 2.938 156 HH22 ARG 24 HH22 ARG 24 -9.002 -4.694 4.470 157 H ASP 25 H ASP 25 -0.820 -7.150 7.569 158 HA ASP 25 HA ASP 25 -3.075 -7.698 9.431 159 HB2 ASP 25 HB2 ASP 25 -2.001 -9.604 8.169 160 HB3 ASP 25 HB3 ASP 25 -0.526 -9.310 9.075 161 H ASN 26 H ASN 26 -1.093 -5.345 9.393 162 HA ASN 26 HA ASN 26 -0.064 -3.981 10.816 163 HB2 ASN 26 HB2 ASN 26 -1.584 -5.478 12.976 164 HB3 ASN 26 HB3 ASN 26 -0.854 -3.879 13.137 165 HD21 ASN 26 HD21 ASN 26 -3.741 -5.492 12.350 166 HD22 ASN 26 HD22 ASN 26 -4.553 -4.096 11.649 167 H ARG 27 H ARG 27 1.353 -6.579 10.216 168 HA ARG 27 HA ARG 27 3.242 -6.798 12.497 169 HB2 ARG 27 HB2 ARG 27 3.553 -8.102 9.785 170 HB3 ARG 27 HB3 ARG 27 4.278 -8.566 11.308 171 HG2 ARG 27 HG2 ARG 27 1.347 -8.852 10.496 172 HG3 ARG 27 HG3 ARG 27 2.538 -10.139 10.628 173 HD2 ARG 27 HD2 ARG 27 2.682 -9.860 13.038 174 HD3 ARG 27 HD3 ARG 27 1.616 -8.442 12.987 175 HE ARG 27 HE ARG 27 0.077 -10.354 11.778 176 HH11 ARG 27 HH11 ARG 27 1.598 -10.352 14.940 177 HH12 ARG 27 HH12 ARG 27 0.381 -11.419 15.593 178 HH21 ARG 27 HH21 ARG 27 -1.331 -11.605 12.574 179 HH22 ARG 27 HH22 ARG 27 -1.284 -12.158 14.253 180 H LEU 28 H LEU 28 2.988 -5.114 9.435 181 HA LEU 28 HA LEU 28 5.678 -3.900 9.808 182 HB2 LEU 28 HB2 LEU 28 5.243 -5.799 8.025 183 HB3 LEU 28 HB3 LEU 28 4.436 -4.544 7.117 184 HG LEU 28 HG LEU 28 6.625 -4.931 6.277 185 HD11 LEU 28 HD11 LEU 28 7.562 -2.784 6.194 186 HD12 LEU 28 HD12 LEU 28 6.894 -2.358 7.778 187 HD13 LEU 28 HD13 LEU 28 5.806 -2.558 6.384 188 HD21 LEU 28 HD21 LEU 28 7.703 -5.808 8.355 189 HD22 LEU 28 HD22 LEU 28 7.763 -4.146 9.001 190 HD23 LEU 28 HD23 LEU 28 8.676 -4.559 7.546 191 H SER 29 H SER 29 5.784 -1.645 9.122 192 HA SER 29 HA SER 29 3.194 -0.209 9.294 193 HB2 SER 29 HB2 SER 29 5.928 1.053 9.263 194 HB3 SER 29 HB3 SER 29 4.418 1.729 9.875 195 HG SER 29 HG SER 29 4.470 0.273 11.585 196 H ILE 30 H ILE 30 2.646 1.555 7.893 197 HA ILE 30 HA ILE 30 2.940 1.244 5.077 198 HB ILE 30 HB ILE 30 2.444 3.774 6.720 199 HG12 ILE 30 HG12 ILE 30 0.768 2.074 7.272 200 HG13 ILE 30 HG13 ILE 30 0.083 3.460 6.445 201 HG21 ILE 30 HG21 ILE 30 1.965 3.230 3.772 202 HG22 ILE 30 HG22 ILE 30 1.250 4.594 4.644 203 HG23 ILE 30 HG23 ILE 30 3.009 4.458 4.497 204 HD11 ILE 30 HD11 ILE 30 -0.933 1.383 5.665 205 HD12 ILE 30 HD12 ILE 30 -0.079 2.182 4.356 206 HD13 ILE 30 HD13 ILE 30 0.645 0.754 5.150 207 H GLU 31 H GLU 31 4.679 3.567 7.244 208 HA GLU 31 HA GLU 31 6.400 4.485 5.151 209 HB2 GLU 31 HB2 GLU 31 7.603 5.674 6.877 210 HB3 GLU 31 HB3 GLU 31 5.862 5.837 7.096 211 HG2 GLU 31 HG2 GLU 31 5.958 4.081 8.903 212 HG3 GLU 31 HG3 GLU 31 7.707 3.997 8.683 213 H GLN 32 H GLN 32 6.735 1.728 7.319 214 HA GLN 32 HA GLN 32 9.570 1.319 6.778 215 HB2 GLN 32 HB2 GLN 32 7.417 -0.346 8.094 216 HB3 GLN 32 HB3 GLN 32 9.068 -0.938 7.819 217 HG2 GLN 32 HG2 GLN 32 9.857 1.114 9.124 218 HG3 GLN 32 HG3 GLN 32 8.166 1.373 9.582 219 HE21 GLN 32 HE21 GLN 32 7.132 -0.271 11.043 220 HE22 GLN 32 HE22 GLN 32 8.175 -1.388 11.900 221 H ALA 33 H ALA 33 6.482 -0.092 5.513 222 HA ALA 33 HA ALA 33 7.778 -1.836 3.656 223 HB1 ALA 33 HB1 ALA 33 5.500 -1.793 2.528 224 HB2 ALA 33 HB2 ALA 33 5.476 -2.225 4.243 225 HB3 ALA 33 HB3 ALA 33 4.996 -0.590 3.730 226 H VAL 34 H VAL 34 7.143 1.636 3.482 227 HA VAL 34 HA VAL 34 7.878 1.871 0.650 228 HB VAL 34 HB VAL 34 7.514 3.915 2.867 229 HG11 VAL 34 HG11 VAL 34 9.072 4.900 1.270 230 HG12 VAL 34 HG12 VAL 34 8.083 4.364 -0.100 231 HG13 VAL 34 HG13 VAL 34 7.477 5.606 1.027 232 HG21 VAL 34 HG21 VAL 34 5.431 2.742 2.018 233 HG22 VAL 34 HG22 VAL 34 5.469 4.479 1.724 234 HG23 VAL 34 HG23 VAL 34 5.817 3.327 0.406 235 H THR 35 H THR 35 9.604 2.395 3.798 236 HA THR 35 HA THR 35 11.967 3.261 2.449 237 HB THR 35 HB THR 35 11.225 3.669 4.899 238 HG1 THR 35 HG1 THR 35 13.337 4.240 5.324 239 HG21 THR 35 HG21 THR 35 11.457 1.239 5.617 240 HG22 THR 35 HG22 THR 35 12.362 2.406 6.596 241 HG23 THR 35 HG23 THR 35 13.205 1.398 5.403 242 H LEU 36 H LEU 36 10.921 0.036 3.343 243 HA LEU 36 HA LEU 36 13.466 -1.238 2.607 244 HB2 LEU 36 HB2 LEU 36 10.678 -2.379 3.056 245 HB3 LEU 36 HB3 LEU 36 12.147 -3.330 2.834 246 HG LEU 36 HG LEU 36 11.586 -1.440 5.166 247 HD11 LEU 36 HD11 LEU 36 10.281 -3.507 5.224 248 HD12 LEU 36 HD12 LEU 36 11.497 -3.468 6.521 249 HD13 LEU 36 HD13 LEU 36 11.781 -4.465 5.065 250 HD21 LEU 36 HD21 LEU 36 13.999 -3.193 4.621 251 HD22 LEU 36 HD22 LEU 36 13.638 -2.395 6.170 252 HD23 LEU 36 HD23 LEU 36 13.968 -1.412 4.746 253 H LEU 37 H LEU 37 10.682 -0.163 0.828 254 HA LEU 37 HA LEU 37 11.194 -1.802 -1.549 255 HB2 LEU 37 HB2 LEU 37 8.912 -1.168 -0.892 256 HB3 LEU 37 HB3 LEU 37 9.365 0.531 -0.911 257 HG LEU 37 HG LEU 37 9.885 0.102 -3.486 258 HD11 LEU 37 HD11 LEU 37 7.827 -2.060 -2.869 259 HD12 LEU 37 HD12 LEU 37 9.503 -2.363 -3.369 260 HD13 LEU 37 HD13 LEU 37 8.378 -1.545 -4.474 261 HD21 LEU 37 HD21 LEU 37 8.205 1.624 -2.626 262 HD22 LEU 37 HD22 LEU 37 7.089 0.275 -2.327 263 HD23 LEU 37 HD23 LEU 37 7.556 0.703 -3.997 264 H THR 38 H THR 38 11.536 1.648 -0.653 265 HA THR 38 HA THR 38 12.040 2.451 -3.316 266 HB THR 38 HB THR 38 12.513 4.055 -0.780 267 HG1 THR 38 HG1 THR 38 10.439 3.373 -0.817 268 HG21 THR 38 HG21 THR 38 11.950 5.992 -2.278 269 HG22 THR 38 HG22 THR 38 11.995 4.893 -3.673 270 HG23 THR 38 HG23 THR 38 13.473 5.212 -2.721 271 HA PRO 39 HA PRO 39 16.539 1.904 -3.365 272 HB2 PRO 39 HB2 PRO 39 17.069 2.597 -5.945 273 HB3 PRO 39 HB3 PRO 39 16.237 1.071 -5.516 274 HG2 PRO 39 HG2 PRO 39 14.980 3.702 -6.386 275 HG3 PRO 39 HG3 PRO 39 14.645 2.047 -7.014 276 HD2 PRO 39 HD2 PRO 39 13.084 3.230 -5.104 277 HD3 PRO 39 HD3 PRO 39 13.384 1.476 -5.104 278 H ARG 40 H ARG 40 18.340 3.246 -3.186 279 HA ARG 40 HA ARG 40 17.849 6.032 -2.512 280 HB2 ARG 40 HB2 ARG 40 20.418 4.410 -2.703 281 HB3 ARG 40 HB3 ARG 40 20.312 6.054 -2.069 282 HG2 ARG 40 HG2 ARG 40 18.721 5.287 -0.314 283 HG3 ARG 40 HG3 ARG 40 18.874 3.621 -0.897 284 HD2 ARG 40 HD2 ARG 40 21.292 3.669 -0.427 285 HD3 ARG 40 HD3 ARG 40 21.155 5.357 0.133 286 HE ARG 40 HE ARG 40 19.320 3.812 1.626 287 HH11 ARG 40 HH11 ARG 40 22.804 4.056 1.351 288 HH12 ARG 40 HH12 ARG 40 23.055 3.506 2.987 289 HH21 ARG 40 HH21 ARG 40 19.715 3.113 3.703 290 HH22 ARG 40 HH22 ARG 40 21.358 2.990 4.268 291 H ARG 41 H ARG 41 18.902 4.524 -5.432 292 HA ARG 41 HA ARG 41 20.150 6.975 -6.529 293 HB2 ARG 41 HB2 ARG 41 19.915 4.190 -7.686 294 HB3 ARG 41 HB3 ARG 41 20.804 5.553 -8.385 295 HG2 ARG 41 HG2 ARG 41 22.136 5.677 -6.203 296 HG3 ARG 41 HG3 ARG 41 21.403 4.119 -5.768 297 HD2 ARG 41 HD2 ARG 41 22.287 3.144 -7.866 298 HD3 ARG 41 HD3 ARG 41 23.016 4.703 -8.271 299 HE ARG 41 HE ARG 41 23.941 2.729 -6.273 300 HH11 ARG 41 HH11 ARG 41 24.393 6.012 -7.418 301 HH12 ARG 41 HH12 ARG 41 25.956 6.147 -6.645 302 HH21 ARG 41 HH21 ARG 41 25.899 2.993 -5.290 303 HH22 ARG 41 HH22 ARG 41 26.779 4.485 -5.488 304 H GLY 42 H GLY 42 17.029 5.529 -6.683 305 HA2 GLY 42 HA2 GLY 42 15.128 5.968 -7.942 306 HA3 GLY 42 HA3 GLY 42 15.906 7.440 -8.516 307 H GLY 43 H GLY 43 14.618 6.754 -10.473 308 HA2 GLY 43 HA2 GLY 43 16.227 6.191 -12.634 309 HA3 GLY 43 HA3 GLY 43 15.635 4.596 -12.162 310 H GLY 44 H GLY 44 15.125 5.488 -14.650 311 HA2 GLY 44 HA2 GLY 44 13.445 5.561 -16.207 312 HA3 GLY 44 HA3 GLY 44 12.362 5.024 -14.924 313 H SER 45 H SER 45 10.648 6.199 -15.704 314 HA SER 45 HA SER 45 10.717 9.080 -16.085 315 HB2 SER 45 HB2 SER 45 8.332 7.195 -15.950 316 HB3 SER 45 HB3 SER 45 8.360 8.851 -16.608 317 HG SER 45 HG SER 45 8.548 7.255 -18.249 318 H GLY 46 H GLY 46 10.728 7.400 -13.236 319 HA2 GLY 46 HA2 GLY 46 10.505 8.112 -11.071 320 HA3 GLY 46 HA3 GLY 46 9.919 9.671 -11.657 321 H GLY 47 H GLY 47 7.854 7.555 -13.069 322 HA2 GLY 47 HA2 GLY 47 5.801 6.623 -12.633 323 HA3 GLY 47 HA3 GLY 47 6.205 6.612 -10.918 324 H GLY 48 H GLY 48 6.381 9.824 -12.037 325 HA2 GLY 48 HA2 GLY 48 5.038 11.682 -11.662 326 HA3 GLY 48 HA3 GLY 48 3.667 10.667 -12.122 327 H SER 49 H SER 49 2.117 10.809 -10.638 328 HA SER 49 HA SER 49 2.720 11.230 -7.787 329 HB2 SER 49 HB2 SER 49 0.038 11.153 -9.219 330 HB3 SER 49 HB3 SER 49 0.331 11.694 -7.551 331 HG SER 49 HG SER 49 0.202 13.437 -9.028 332 H MET 50 H MET 50 2.878 8.481 -9.334 333 HA MET 50 HA MET 50 1.153 6.822 -7.601 334 HB2 MET 50 HB2 MET 50 1.461 6.524 -10.087 335 HB3 MET 50 HB3 MET 50 3.113 5.990 -9.765 336 HG2 MET 50 HG2 MET 50 2.332 4.067 -8.552 337 HG3 MET 50 HG3 MET 50 0.660 4.642 -8.579 338 HE1 MET 50 HE1 MET 50 -0.983 4.372 -10.548 339 HE2 MET 50 HE2 MET 50 0.003 5.472 -11.538 340 HE3 MET 50 HE3 MET 50 -0.521 3.909 -12.190 341 H ASP 51 H ASP 51 2.410 7.977 -5.865 342 HA ASP 51 HA ASP 51 5.003 6.908 -5.085 343 HB2 ASP 51 HB2 ASP 51 2.941 8.509 -3.559 344 HB3 ASP 51 HB3 ASP 51 4.607 8.212 -3.027 345 H ALA 52 H ALA 52 5.536 5.358 -3.645 346 HA ALA 52 HA ALA 52 3.795 3.185 -3.208 347 HB1 ALA 52 HB1 ALA 52 5.625 2.291 -1.831 348 HB2 ALA 52 HB2 ALA 52 6.220 2.987 -3.347 349 HB3 ALA 52 HB3 ALA 52 6.411 3.886 -1.824 350 H LYS 53 H LYS 53 4.478 5.933 -1.042 351 HA LYS 53 HA LYS 53 3.296 4.853 1.332 352 HB2 LYS 53 HB2 LYS 53 4.760 6.925 1.052 353 HB3 LYS 53 HB3 LYS 53 3.319 7.801 0.534 354 HG2 LYS 53 HG2 LYS 53 3.503 6.290 3.160 355 HG3 LYS 53 HG3 LYS 53 4.058 7.956 2.986 356 HD2 LYS 53 HD2 LYS 53 1.834 8.774 2.514 357 HD3 LYS 53 HD3 LYS 53 1.182 7.143 2.413 358 HE2 LYS 53 HE2 LYS 53 1.998 6.787 4.821 359 HE3 LYS 53 HE3 LYS 53 2.212 8.549 4.883 360 HZ1 LYS 53 HZ1 LYS 53 -0.171 8.757 4.337 361 HZ2 LYS 53 HZ2 LYS 53 0.003 7.845 5.672 362 HZ3 LYS 53 HZ3 LYS 53 -0.333 7.136 4.233 363 H GLU 54 H GLU 54 1.832 6.898 -1.175 364 HA GLU 54 HA GLU 54 -0.840 6.871 -0.167 365 HB2 GLU 54 HB2 GLU 54 0.111 8.433 -1.902 366 HB3 GLU 54 HB3 GLU 54 0.170 7.102 -3.034 367 HG2 GLU 54 HG2 GLU 54 -1.742 8.435 -3.548 368 HG3 GLU 54 HG3 GLU 54 -2.303 6.880 -2.945 369 H ILE 55 H ILE 55 0.809 4.647 -2.429 370 HA ILE 55 HA ILE 55 -1.446 2.997 -3.035 371 HB ILE 55 HB ILE 55 1.532 2.425 -3.059 372 HG12 ILE 55 HG12 ILE 55 -0.299 2.827 -5.451 373 HG13 ILE 55 HG13 ILE 55 0.415 4.212 -4.646 374 HG21 ILE 55 HG21 ILE 55 -0.821 0.749 -4.018 375 HG22 ILE 55 HG22 ILE 55 0.810 0.514 -4.632 376 HG23 ILE 55 HG23 ILE 55 0.500 0.262 -2.917 377 HD11 ILE 55 HD11 ILE 55 2.691 3.349 -5.055 378 HD12 ILE 55 HD12 ILE 55 2.006 1.940 -5.898 379 HD13 ILE 55 HD13 ILE 55 1.784 3.573 -6.543 380 H LEU 56 H LEU 56 1.117 2.532 -0.501 381 HA LEU 56 HA LEU 56 -0.125 0.220 0.649 382 HB2 LEU 56 HB2 LEU 56 1.970 2.205 1.538 383 HB3 LEU 56 HB3 LEU 56 1.221 1.166 2.738 384 HG LEU 56 HG LEU 56 3.205 0.140 2.199 385 HD11 LEU 56 HD11 LEU 56 1.197 -1.444 0.558 386 HD12 LEU 56 HD12 LEU 56 1.190 -1.360 2.341 387 HD13 LEU 56 HD13 LEU 56 2.586 -2.037 1.471 388 HD21 LEU 56 HD21 LEU 56 3.854 -0.599 -0.058 389 HD22 LEU 56 HD22 LEU 56 3.813 1.155 0.139 390 HD23 LEU 56 HD23 LEU 56 2.479 0.331 -0.725 391 H THR 57 H THR 57 -0.568 3.692 1.345 392 HA THR 57 HA THR 57 -2.232 3.361 3.651 393 HB THR 57 HB THR 57 -2.242 5.613 1.603 394 HG1 THR 57 HG1 THR 57 -0.269 5.324 2.584 395 HG21 THR 57 HG21 THR 57 -4.253 5.759 3.006 396 HG22 THR 57 HG22 THR 57 -3.080 6.969 3.546 397 HG23 THR 57 HG23 THR 57 -3.287 5.463 4.470 398 H ARG 58 H ARG 58 -3.144 3.610 0.163 399 HA ARG 58 HA ARG 58 -5.977 3.250 0.683 400 HB2 ARG 58 HB2 ARG 58 -4.327 2.836 -1.859 401 HB3 ARG 58 HB3 ARG 58 -6.095 2.777 -1.775 402 HG2 ARG 58 HG2 ARG 58 -6.217 5.101 -1.037 403 HG3 ARG 58 HG3 ARG 58 -4.452 5.232 -1.062 404 HD2 ARG 58 HD2 ARG 58 -4.517 4.593 -3.522 405 HD3 ARG 58 HD3 ARG 58 -6.284 4.684 -3.425 406 HE ARG 58 HE ARG 58 -4.847 7.087 -2.481 407 HH11 ARG 58 HH11 ARG 58 -6.333 5.698 -5.349 408 HH12 ARG 58 HH12 ARG 58 -6.436 7.265 -6.114 409 HH21 ARG 58 HH21 ARG 58 -4.971 8.895 -3.435 410 HH22 ARG 58 HH22 ARG 58 -5.673 9.096 -5.040 411 H PHE 59 H PHE 59 -3.385 0.914 -0.180 412 HA PHE 59 HA PHE 59 -5.056 -1.394 -0.353 413 HB2 PHE 59 HB2 PHE 59 -2.815 -1.444 -1.205 414 HB3 PHE 59 HB3 PHE 59 -2.137 -0.949 0.335 415 HD1 PHE 59 HD1 PHE 59 -4.483 -3.704 -0.769 416 HD2 PHE 59 HD2 PHE 59 -0.936 -2.600 1.420 417 HE1 PHE 59 HE1 PHE 59 -4.233 -6.045 0.005 418 HE2 PHE 59 HE2 PHE 59 -0.654 -4.954 2.134 419 HZ PHE 59 HZ PHE 59 -2.299 -6.683 1.442 420 H LYS 60 H LYS 60 -3.308 -0.051 2.503 421 HA LYS 60 HA LYS 60 -4.248 -2.121 4.217 422 HB2 LYS 60 HB2 LYS 60 -2.188 -0.723 4.571 423 HB3 LYS 60 HB3 LYS 60 -3.250 0.598 5.107 424 HG2 LYS 60 HG2 LYS 60 -4.167 -0.893 6.882 425 HG3 LYS 60 HG3 LYS 60 -3.128 -2.208 6.317 426 HD2 LYS 60 HD2 LYS 60 -1.122 -0.874 6.902 427 HD3 LYS 60 HD3 LYS 60 -2.181 0.434 7.502 428 HE2 LYS 60 HE2 LYS 60 -3.208 -1.136 9.114 429 HE3 LYS 60 HE3 LYS 60 -2.184 -2.445 8.507 430 HZ1 LYS 60 HZ1 LYS 60 -1.159 0.021 9.814 431 HZ2 LYS 60 HZ2 LYS 60 -0.257 -1.271 9.328 432 HZ3 LYS 60 HZ3 LYS 60 -1.351 -1.445 10.539 433 H ASP 61 H ASP 61 -5.560 1.086 3.526 434 HA ASP 61 HA ASP 61 -7.750 0.950 5.411 435 HB2 ASP 61 HB2 ASP 61 -6.784 3.028 4.434 436 HB3 ASP 61 HB3 ASP 61 -7.424 2.563 2.853 437 H GLY 62 H GLY 62 -7.268 -0.730 2.448 438 HA2 GLY 62 HA2 GLY 62 -8.619 -2.313 1.435 439 HA3 GLY 62 HA3 GLY 62 -9.973 -1.853 2.482 440 H GLY 63 H GLY 63 -8.537 0.811 0.857 441 HA2 GLY 63 HA2 GLY 63 -10.774 1.174 -1.026 442 HA3 GLY 63 HA3 GLY 63 -9.411 2.265 -0.734 443 H LEU 64 H LEU 64 -7.788 -0.457 -1.078 444 HA LEU 64 HA LEU 64 -7.750 -0.658 -4.047 445 HB2 LEU 64 HB2 LEU 64 -6.068 1.024 -3.101 446 HB3 LEU 64 HB3 LEU 64 -5.319 -0.307 -2.249 447 HG LEU 64 HG LEU 64 -4.913 -1.374 -4.552 448 HD11 LEU 64 HD11 LEU 64 -4.895 0.233 -6.448 449 HD12 LEU 64 HD12 LEU 64 -5.633 1.456 -5.398 450 HD13 LEU 64 HD13 LEU 64 -6.547 -0.003 -5.840 451 HD21 LEU 64 HD21 LEU 64 -3.147 -0.222 -3.256 452 HD22 LEU 64 HD22 LEU 64 -3.643 1.333 -3.949 453 HD23 LEU 64 HD23 LEU 64 -2.967 0.055 -4.993 454 H ASP 65 H ASP 65 -7.361 -2.739 -4.792 455 HA ASP 65 HA ASP 65 -7.297 -4.951 -2.859 456 HB2 ASP 65 HB2 ASP 65 -7.163 -5.093 -5.882 457 HB3 ASP 65 HB3 ASP 65 -7.532 -6.405 -4.775 458 H ARG 66 H ARG 66 -5.670 -6.677 -2.892 459 HA ARG 66 HA ARG 66 -3.015 -5.641 -2.777 460 HB2 ARG 66 HB2 ARG 66 -4.081 -7.676 -1.553 461 HB3 ARG 66 HB3 ARG 66 -3.613 -8.619 -2.976 462 HG2 ARG 66 HG2 ARG 66 -1.264 -8.084 -2.656 463 HG3 ARG 66 HG3 ARG 66 -1.662 -6.862 -1.455 464 HD2 ARG 66 HD2 ARG 66 -0.874 -8.656 -0.190 465 HD3 ARG 66 HD3 ARG 66 -2.621 -8.694 0.018 466 HE ARG 66 HE ARG 66 -0.879 -10.646 -1.382 467 HH11 ARG 66 HH11 ARG 66 -4.248 -9.889 -0.658 468 HH12 ARG 66 HH12 ARG 66 -4.736 -11.530 -1.008 469 HH21 ARG 66 HH21 ARG 66 -1.508 -12.532 -1.724 470 HH22 ARG 66 HH22 ARG 66 -3.205 -13.044 -1.636 471 H ALA 67 H ALA 67 -4.636 -7.440 -5.360 472 HA ALA 67 HA ALA 67 -2.367 -7.772 -7.075 473 HB1 ALA 67 HB1 ALA 67 -4.081 -8.139 -8.816 474 HB2 ALA 67 HB2 ALA 67 -4.509 -8.986 -7.309 475 HB3 ALA 67 HB3 ALA 67 -5.339 -7.468 -7.743 476 H ALA 68 H ALA 68 -4.685 -5.058 -6.727 477 HA ALA 68 HA ALA 68 -3.547 -3.477 -8.875 478 HB1 ALA 68 HB1 ALA 68 -5.883 -3.214 -8.141 479 HB2 ALA 68 HB2 ALA 68 -5.332 -2.707 -6.528 480 HB3 ALA 68 HB3 ALA 68 -4.982 -1.700 -7.945 481 H ALA 69 H ALA 69 -3.031 -3.615 -5.306 482 HA ALA 69 HA ALA 69 -1.194 -1.473 -5.135 483 HB1 ALA 69 HB1 ALA 69 -1.282 -4.022 -3.481 484 HB2 ALA 69 HB2 ALA 69 -0.527 -2.491 -3.016 485 HB3 ALA 69 HB3 ALA 69 -2.285 -2.589 -3.207 486 H GLN 70 H GLN 70 -0.568 -4.976 -5.767 487 HA GLN 70 HA GLN 70 2.249 -4.736 -6.161 488 HB2 GLN 70 HB2 GLN 70 0.214 -6.650 -7.368 489 HB3 GLN 70 HB3 GLN 70 1.967 -6.778 -7.622 490 HG2 GLN 70 HG2 GLN 70 2.292 -6.885 -5.150 491 HG3 GLN 70 HG3 GLN 70 0.548 -6.940 -4.930 492 HE21 GLN 70 HE21 GLN 70 1.846 -8.971 -3.830 493 HE22 GLN 70 HE22 GLN 70 1.835 -10.416 -4.827 494 H ALA 71 H ALA 71 -0.405 -4.358 -8.581 495 HA ALA 71 HA ALA 71 1.247 -3.945 -10.844 496 HB1 ALA 71 HB1 ALA 71 -0.739 -2.862 -11.811 497 HB2 ALA 71 HB2 ALA 71 -1.201 -4.327 -10.931 498 HB3 ALA 71 HB3 ALA 71 -1.486 -2.727 -10.202 499 H LEU 72 H LEU 72 -0.189 -1.438 -8.693 500 HA LEU 72 HA LEU 72 1.068 0.791 -9.933 501 HB2 LEU 72 HB2 LEU 72 -0.239 0.255 -7.256 502 HB3 LEU 72 HB3 LEU 72 0.462 1.816 -7.627 503 HG LEU 72 HG LEU 72 -1.129 2.449 -9.071 504 HD11 LEU 72 HD11 LEU 72 -1.103 0.677 -10.739 505 HD12 LEU 72 HD12 LEU 72 -2.752 1.094 -10.300 506 HD13 LEU 72 HD13 LEU 72 -2.017 -0.390 -9.660 507 HD21 LEU 72 HD21 LEU 72 -2.129 1.994 -6.823 508 HD22 LEU 72 HD22 LEU 72 -2.678 0.419 -7.430 509 HD23 LEU 72 HD23 LEU 72 -3.317 1.915 -8.130 510 H LEU 73 H LEU 73 2.182 -1.200 -7.141 511 HA LEU 73 HA LEU 73 4.563 0.376 -6.641 512 HB2 LEU 73 HB2 LEU 73 3.829 -2.503 -5.992 513 HB3 LEU 73 HB3 LEU 73 5.325 -1.737 -5.476 514 HG LEU 73 HG LEU 73 2.540 -0.782 -4.707 515 HD11 LEU 73 HD11 LEU 73 3.092 -2.962 -3.715 516 HD12 LEU 73 HD12 LEU 73 3.050 -1.683 -2.492 517 HD13 LEU 73 HD13 LEU 73 4.618 -2.286 -3.084 518 HD21 LEU 73 HD21 LEU 73 5.263 0.095 -3.730 519 HD22 LEU 73 HD22 LEU 73 3.717 0.570 -2.992 520 HD23 LEU 73 HD23 LEU 73 4.109 1.081 -4.644 521 H ALA 74 H ALA 74 3.945 -2.386 -8.792 522 HA ALA 74 HA ALA 74 6.707 -2.613 -9.631 523 HB1 ALA 74 HB1 ALA 74 5.152 -4.529 -9.518 524 HB2 ALA 74 HB2 ALA 74 4.177 -3.798 -10.822 525 HB3 ALA 74 HB3 ALA 74 5.848 -4.325 -11.128 526 H GLY 75 H GLY 75 4.648 -0.130 -10.344 527 HA2 GLY 75 HA2 GLY 75 4.794 1.569 -11.893 528 HA3 GLY 75 HA3 GLY 75 6.161 0.755 -12.655 529 H ARG 76 H ARG 76 2.926 -0.576 -12.180 530 HA ARG 76 HA ARG 76 2.171 -0.376 -15.069 531 HB2 ARG 76 HB2 ARG 76 2.000 -2.867 -13.304 532 HB3 ARG 76 HB3 ARG 76 1.344 -2.749 -14.921 533 HG2 ARG 76 HG2 ARG 76 4.314 -2.599 -14.218 534 HG3 ARG 76 HG3 ARG 76 3.452 -3.992 -14.867 535 HD2 ARG 76 HD2 ARG 76 2.899 -2.761 -16.917 536 HD3 ARG 76 HD3 ARG 76 3.718 -1.325 -16.326 537 HE ARG 76 HE ARG 76 4.939 -3.839 -17.293 538 HH11 ARG 76 HH11 ARG 76 5.616 -0.742 -15.752 539 HH12 ARG 76 HH12 ARG 76 7.303 -0.812 -16.173 540 HH21 ARG 76 HH21 ARG 76 7.122 -3.862 -17.751 541 HH22 ARG 76 HH22 ARG 76 8.118 -2.523 -17.269 542 H THR 77 H THR 77 -0.262 -1.350 -15.117 543 HA THR 77 HA THR 77 -1.809 -0.413 -12.757 544 HB THR 77 HB THR 77 -3.593 0.437 -14.327 545 HG1 THR 77 HG1 THR 77 -2.915 1.038 -16.388 546 HG21 THR 77 HG21 THR 77 -2.569 2.623 -14.639 547 HG22 THR 77 HG22 THR 77 -0.936 1.940 -14.436 548 HG23 THR 77 HG23 THR 77 -2.069 1.966 -13.078 549 HA PRO 78 HA PRO 78 -3.772 -4.342 -13.188 550 HB2 PRO 78 HB2 PRO 78 -6.197 -3.976 -11.983 551 HB3 PRO 78 HB3 PRO 78 -4.646 -3.970 -11.085 552 HG2 PRO 78 HG2 PRO 78 -6.196 -1.570 -12.117 553 HG3 PRO 78 HG3 PRO 78 -5.550 -1.847 -10.471 554 HD2 PRO 78 HD2 PRO 78 -4.200 -0.379 -12.294 555 HD3 PRO 78 HD3 PRO 78 -3.334 -1.495 -11.174 556 H ALA 79 H ALA 79 -5.332 -5.500 -14.390 557 HA ALA 79 HA ALA 79 -6.759 -3.972 -16.533 558 HB1 ALA 79 HB1 ALA 79 -6.298 -5.901 -17.988 559 HB2 ALA 79 HB2 ALA 79 -4.789 -5.235 -17.336 560 HB3 ALA 79 HB3 ALA 79 -5.470 -6.730 -16.655 561 H ALA 80 H ALA 80 -8.698 -4.898 -17.379 562 HA ALA 80 HA ALA 80 -10.424 -6.092 -15.348 563 HB1 ALA 80 HB1 ALA 80 -12.224 -5.515 -16.902 564 HB2 ALA 80 HB2 ALA 80 -11.140 -4.130 -16.696 565 HB3 ALA 80 HB3 ALA 80 -11.032 -5.123 -18.167 566 H ALA 81 H ALA 81 -8.296 -7.638 -17.123 567 HA ALA 81 HA ALA 81 -9.726 -9.487 -18.719 568 HB1 ALA 81 HB1 ALA 81 -6.974 -9.719 -17.449 569 HB2 ALA 81 HB2 ALA 81 -7.603 -10.730 -18.772 570 HB3 ALA 81 HB3 ALA 81 -7.354 -8.987 -19.019 571 HA PRO 82 HA PRO 82 -11.142 -12.241 -15.432 572 HB2 PRO 82 HB2 PRO 82 -12.613 -14.011 -16.885 573 HB3 PRO 82 HB3 PRO 82 -13.041 -12.275 -16.788 574 HG2 PRO 82 HG2 PRO 82 -11.432 -13.663 -18.965 575 HG3 PRO 82 HG3 PRO 82 -12.873 -12.618 -19.158 576 HD2 PRO 82 HD2 PRO 82 -10.321 -11.649 -19.387 577 HD3 PRO 82 HD3 PRO 82 -11.650 -10.675 -18.683 578 H ARG 83 H ARG 83 -8.403 -12.691 -16.686 579 HA ARG 83 HA ARG 83 -8.050 -15.615 -16.165 580 HB2 ARG 83 HB2 ARG 83 -6.817 -13.987 -18.425 581 HB3 ARG 83 HB3 ARG 83 -6.383 -15.649 -18.016 582 HG2 ARG 83 HG2 ARG 83 -8.710 -16.382 -18.487 583 HG3 ARG 83 HG3 ARG 83 -9.126 -14.717 -18.956 584 HD2 ARG 83 HD2 ARG 83 -7.396 -14.781 -20.726 585 HD3 ARG 83 HD3 ARG 83 -7.003 -16.449 -20.279 586 HE ARG 83 HE ARG 83 -9.780 -16.385 -20.776 587 HH11 ARG 83 HH11 ARG 83 -6.883 -15.923 -22.698 588 HH12 ARG 83 HH12 ARG 83 -7.665 -16.450 -24.171 589 HH21 ARG 83 HH21 ARG 83 -10.718 -17.031 -22.686 590 HH22 ARG 83 HH22 ARG 83 -9.781 -17.062 -24.154 591 HA PRO 84 HA PRO 84 -4.644 -14.551 -13.522 592 HB2 PRO 84 HB2 PRO 84 -3.079 -16.692 -14.957 593 HB3 PRO 84 HB3 PRO 84 -3.265 -16.416 -13.193 594 HG2 PRO 84 HG2 PRO 84 -4.698 -18.356 -14.411 595 HG3 PRO 84 HG3 PRO 84 -5.499 -17.267 -13.221 596 HD2 PRO 84 HD2 PRO 84 -5.548 -17.095 -16.248 597 HD3 PRO 84 HD3 PRO 84 -6.895 -16.955 -15.086 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 34.838 -7.571 -10.652 2 H2 GLY 1 H2 GLY 1 35.678 -7.753 -12.053 3 H3 GLY 1 H3 GLY 1 34.067 -7.469 -12.088 4 HA2 GLY 1 HA2 GLY 1 36.141 -5.592 -11.185 5 HA3 GLY 1 HA3 GLY 1 35.208 -5.470 -12.672 6 HA PRO 2 HA PRO 2 33.034 -3.373 -9.007 7 HB2 PRO 2 HB2 PRO 2 33.788 -0.768 -9.199 8 HB3 PRO 2 HB3 PRO 2 34.840 -2.018 -8.457 9 HG2 PRO 2 HG2 PRO 2 34.956 -0.989 -11.318 10 HG3 PRO 2 HG3 PRO 2 36.287 -1.076 -10.136 11 HD2 PRO 2 HD2 PRO 2 35.872 -3.039 -11.967 12 HD3 PRO 2 HD3 PRO 2 36.412 -3.424 -10.312 13 H GLY 3 H GLY 3 33.112 -2.808 -12.438 14 HA2 GLY 3 HA2 GLY 3 31.012 -0.877 -12.672 15 HA3 GLY 3 HA3 GLY 3 31.600 -1.929 -13.950 16 H SER 4 H SER 4 28.906 -1.107 -13.540 17 HA SER 4 HA SER 4 27.404 -3.494 -12.622 18 HB2 SER 4 HB2 SER 4 25.445 -2.006 -12.776 19 HB3 SER 4 HB3 SER 4 26.706 -1.341 -11.733 20 HG SER 4 HG SER 4 25.851 0.236 -13.180 21 H TYR 5 H TYR 5 25.333 -3.884 -13.961 22 HA TYR 5 HA TYR 5 25.895 -3.959 -16.887 23 HB2 TYR 5 HB2 TYR 5 25.118 -6.189 -17.048 24 HB3 TYR 5 HB3 TYR 5 26.380 -6.162 -15.841 25 HD1 TYR 5 HD1 TYR 5 25.852 -6.447 -13.428 26 HD2 TYR 5 HD2 TYR 5 22.815 -6.774 -16.473 27 HE1 TYR 5 HE1 TYR 5 24.344 -7.573 -11.799 28 HE2 TYR 5 HE2 TYR 5 21.310 -7.926 -14.848 29 HH TYR 5 HH TYR 5 22.297 -8.542 -11.455 30 H THR 6 H THR 6 23.835 -4.556 -18.103 31 HA THR 6 HA THR 6 21.415 -3.218 -16.976 32 HB THR 6 HB THR 6 22.769 -1.610 -18.305 33 HG1 THR 6 HG1 THR 6 20.982 -0.828 -19.352 34 HG21 THR 6 HG21 THR 6 22.729 -1.694 -20.731 35 HG22 THR 6 HG22 THR 6 21.951 -3.290 -20.714 36 HG23 THR 6 HG23 THR 6 23.607 -3.084 -20.095 37 H GLY 7 H GLY 7 19.535 -3.477 -18.607 38 HA2 GLY 7 HA2 GLY 7 18.089 -4.853 -19.785 39 HA3 GLY 7 HA3 GLY 7 19.371 -6.032 -20.038 40 H ALA 8 H ALA 8 18.774 -5.075 -16.744 41 HA ALA 8 HA ALA 8 18.031 -7.732 -15.913 42 HB1 ALA 8 HB1 ALA 8 18.004 -5.087 -14.405 43 HB2 ALA 8 HB2 ALA 8 17.952 -6.718 -13.687 44 HB3 ALA 8 HB3 ALA 8 19.401 -6.171 -14.566 45 H GLY 9 H GLY 9 16.152 -8.323 -14.680 46 HA2 GLY 9 HA2 GLY 9 13.657 -7.685 -16.024 47 HA3 GLY 9 HA3 GLY 9 13.888 -8.827 -14.705 48 H GLU 10 H GLU 10 11.618 -7.449 -14.776 49 HA GLU 10 HA GLU 10 11.657 -5.048 -13.131 50 HB2 GLU 10 HB2 GLU 10 9.262 -5.051 -13.427 51 HB3 GLU 10 HB3 GLU 10 10.049 -5.352 -14.971 52 HG2 GLU 10 HG2 GLU 10 9.605 -7.806 -14.680 53 HG3 GLU 10 HG3 GLU 10 8.745 -7.457 -13.171 54 HA PRO 11 HA PRO 11 11.261 -6.635 -9.064 55 HB2 PRO 11 HB2 PRO 11 8.661 -5.133 -8.711 56 HB3 PRO 11 HB3 PRO 11 10.106 -5.175 -7.644 57 HG2 PRO 11 HG2 PRO 11 9.696 -3.061 -9.287 58 HG3 PRO 11 HG3 PRO 11 11.341 -3.769 -9.148 59 HD2 PRO 11 HD2 PRO 11 9.264 -4.237 -11.302 60 HD3 PRO 11 HD3 PRO 11 11.012 -3.889 -11.470 61 H SER 12 H SER 12 10.517 -8.369 -7.961 62 HA SER 12 HA SER 12 8.726 -10.193 -9.308 63 HB2 SER 12 HB2 SER 12 10.008 -10.425 -6.565 64 HB3 SER 12 HB3 SER 12 9.285 -11.744 -7.503 65 HG SER 12 HG SER 12 10.890 -11.455 -9.076 66 H GLN 13 H GLN 13 6.627 -10.471 -9.121 67 HA GLN 13 HA GLN 13 4.959 -9.015 -7.368 68 HB2 GLN 13 HB2 GLN 13 3.148 -10.336 -8.208 69 HB3 GLN 13 HB3 GLN 13 4.219 -9.873 -9.529 70 HG2 GLN 13 HG2 GLN 13 5.241 -12.158 -9.476 71 HG3 GLN 13 HG3 GLN 13 4.106 -12.614 -8.194 72 HE21 GLN 13 HE21 GLN 13 1.752 -12.668 -8.744 73 HE22 GLN 13 HE22 GLN 13 1.296 -12.902 -10.417 74 H ALA 14 H ALA 14 6.491 -12.154 -6.867 75 HA ALA 14 HA ALA 14 4.883 -12.864 -4.559 76 HB1 ALA 14 HB1 ALA 14 6.523 -14.694 -4.347 77 HB2 ALA 14 HB2 ALA 14 5.967 -14.534 -6.020 78 HB3 ALA 14 HB3 ALA 14 7.570 -13.911 -5.543 79 H ASP 15 H ASP 15 7.864 -11.037 -5.010 80 HA ASP 15 HA ASP 15 8.580 -10.948 -2.180 81 HB2 ASP 15 HB2 ASP 15 10.254 -10.680 -3.988 82 HB3 ASP 15 HB3 ASP 15 9.453 -9.193 -4.497 83 H LEU 16 H LEU 16 6.747 -8.971 -4.387 84 HA LEU 16 HA LEU 16 5.990 -6.906 -2.494 85 HB2 LEU 16 HB2 LEU 16 4.745 -7.923 -5.083 86 HB3 LEU 16 HB3 LEU 16 4.078 -6.572 -4.182 87 HG LEU 16 HG LEU 16 6.973 -6.546 -5.116 88 HD11 LEU 16 HD11 LEU 16 4.532 -5.504 -6.604 89 HD12 LEU 16 HD12 LEU 16 5.592 -6.842 -7.116 90 HD13 LEU 16 HD13 LEU 16 6.221 -5.192 -7.033 91 HD21 LEU 16 HD21 LEU 16 4.976 -4.377 -4.414 92 HD22 LEU 16 HD22 LEU 16 6.659 -4.122 -4.931 93 HD23 LEU 16 HD23 LEU 16 6.327 -4.903 -3.382 94 H ASP 17 H ASP 17 4.358 -9.955 -3.519 95 HA ASP 17 HA ASP 17 2.106 -9.664 -1.844 96 HB2 ASP 17 HB2 ASP 17 2.512 -11.367 -3.706 97 HB3 ASP 17 HB3 ASP 17 3.478 -12.286 -2.563 98 H ALA 18 H ALA 18 5.301 -11.024 -1.033 99 HA ALA 18 HA ALA 18 4.651 -11.949 1.611 100 HB1 ALA 18 HB1 ALA 18 6.626 -12.699 0.336 101 HB2 ALA 18 HB2 ALA 18 7.314 -11.054 0.434 102 HB3 ALA 18 HB3 ALA 18 7.096 -12.014 1.910 103 H LEU 19 H LEU 19 5.931 -8.837 0.405 104 HA LEU 19 HA LEU 19 6.271 -7.564 2.953 105 HB2 LEU 19 HB2 LEU 19 7.317 -6.851 0.772 106 HB3 LEU 19 HB3 LEU 19 5.730 -6.409 0.182 107 HG LEU 19 HG LEU 19 5.667 -4.814 2.324 108 HD11 LEU 19 HD11 LEU 19 8.654 -5.095 1.808 109 HD12 LEU 19 HD12 LEU 19 7.808 -5.652 3.265 110 HD13 LEU 19 HD13 LEU 19 7.867 -3.928 2.893 111 HD21 LEU 19 HD21 LEU 19 6.635 -3.030 0.930 112 HD22 LEU 19 HD22 LEU 19 5.531 -4.067 0.020 113 HD23 LEU 19 HD23 LEU 19 7.295 -4.261 -0.169 114 H LEU 20 H LEU 20 3.638 -7.517 0.545 115 HA LEU 20 HA LEU 20 1.990 -5.630 1.844 116 HB2 LEU 20 HB2 LEU 20 1.497 -7.755 -0.206 117 HB3 LEU 20 HB3 LEU 20 0.235 -6.631 0.238 118 HG LEU 20 HG LEU 20 2.936 -5.630 -0.778 119 HD11 LEU 20 HD11 LEU 20 1.989 -5.394 -2.985 120 HD12 LEU 20 HD12 LEU 20 0.438 -6.089 -2.456 121 HD13 LEU 20 HD13 LEU 20 1.904 -7.090 -2.503 122 HD21 LEU 20 HD21 LEU 20 1.486 -3.990 0.398 123 HD22 LEU 20 HD22 LEU 20 0.180 -4.355 -0.748 124 HD23 LEU 20 HD23 LEU 20 1.693 -3.615 -1.312 125 H SER 21 H SER 21 1.900 -9.241 2.017 126 HA SER 21 HA SER 21 -0.418 -9.411 3.704 127 HB2 SER 21 HB2 SER 21 1.978 -11.231 3.329 128 HB3 SER 21 HB3 SER 21 0.678 -11.583 4.496 129 HG SER 21 HG SER 21 0.210 -12.558 2.531 130 H ALA 22 H ALA 22 2.956 -8.659 4.550 131 HA ALA 22 HA ALA 22 2.536 -8.995 7.400 132 HB1 ALA 22 HB1 ALA 22 4.713 -7.474 5.929 133 HB2 ALA 22 HB2 ALA 22 4.753 -8.057 7.609 134 HB3 ALA 22 HB3 ALA 22 4.739 -9.222 6.280 135 H VAL 23 H VAL 23 2.239 -6.213 5.136 136 HA VAL 23 HA VAL 23 1.742 -4.384 7.408 137 HB VAL 23 HB VAL 23 2.959 -3.464 5.610 138 HG11 VAL 23 HG11 VAL 23 0.633 -4.036 3.772 139 HG12 VAL 23 HG12 VAL 23 2.140 -3.154 3.386 140 HG13 VAL 23 HG13 VAL 23 2.217 -4.863 3.799 141 HG21 VAL 23 HG21 VAL 23 1.316 -1.969 6.778 142 HG22 VAL 23 HG22 VAL 23 1.768 -1.449 5.148 143 HG23 VAL 23 HG23 VAL 23 0.199 -2.239 5.422 144 H ARG 24 H ARG 24 -0.243 -6.108 5.032 145 HA ARG 24 HA ARG 24 -2.711 -4.835 5.784 146 HB2 ARG 24 HB2 ARG 24 -2.108 -6.179 3.663 147 HB3 ARG 24 HB3 ARG 24 -2.406 -7.632 4.609 148 HG2 ARG 24 HG2 ARG 24 -4.334 -7.023 3.228 149 HG3 ARG 24 HG3 ARG 24 -4.765 -6.908 4.941 150 HD2 ARG 24 HD2 ARG 24 -4.635 -4.490 4.898 151 HD3 ARG 24 HD3 ARG 24 -3.822 -4.502 3.325 152 HE ARG 24 HE ARG 24 -5.844 -4.550 2.290 153 HH11 ARG 24 HH11 ARG 24 -6.487 -5.519 5.597 154 HH12 ARG 24 HH12 ARG 24 -8.214 -5.551 5.335 155 HH21 ARG 24 HH21 ARG 24 -8.026 -4.750 1.997 156 HH22 ARG 24 HH22 ARG 24 -9.057 -5.095 3.364 157 H ASP 25 H ASP 25 -0.992 -7.553 7.177 158 HA ASP 25 HA ASP 25 -3.156 -8.057 9.135 159 HB2 ASP 25 HB2 ASP 25 -1.841 -9.901 7.984 160 HB3 ASP 25 HB3 ASP 25 -0.447 -9.402 8.942 161 H ASN 26 H ASN 26 -1.200 -5.578 8.943 162 HA ASN 26 HA ASN 26 -0.312 -4.072 10.280 163 HB2 ASN 26 HB2 ASN 26 -2.660 -4.304 11.190 164 HB3 ASN 26 HB3 ASN 26 -1.991 -5.284 12.495 165 HD21 ASN 26 HD21 ASN 26 -1.999 -4.013 14.334 166 HD22 ASN 26 HD22 ASN 26 -1.453 -2.332 14.352 167 H ARG 27 H ARG 27 1.198 -6.590 10.078 168 HA ARG 27 HA ARG 27 2.886 -6.561 12.522 169 HB2 ARG 27 HB2 ARG 27 3.512 -7.956 9.894 170 HB3 ARG 27 HB3 ARG 27 4.161 -8.299 11.496 171 HG2 ARG 27 HG2 ARG 27 1.335 -8.848 10.506 172 HG3 ARG 27 HG3 ARG 27 2.613 -10.022 10.775 173 HD2 ARG 27 HD2 ARG 27 2.571 -9.640 13.176 174 HD3 ARG 27 HD3 ARG 27 1.379 -8.334 12.997 175 HE ARG 27 HE ARG 27 0.093 -10.371 11.764 176 HH11 ARG 27 HH11 ARG 27 1.505 -10.322 14.982 177 HH12 ARG 27 HH12 ARG 27 0.358 -11.509 15.554 178 HH21 ARG 27 HH21 ARG 27 -1.229 -11.767 12.489 179 HH22 ARG 27 HH22 ARG 27 -1.191 -12.350 14.155 180 H LEU 28 H LEU 28 2.797 -5.095 9.350 181 HA LEU 28 HA LEU 28 5.444 -3.781 9.772 182 HB2 LEU 28 HB2 LEU 28 4.907 -5.729 7.999 183 HB3 LEU 28 HB3 LEU 28 4.203 -4.427 7.091 184 HG LEU 28 HG LEU 28 6.370 -4.934 6.272 185 HD11 LEU 28 HD11 LEU 28 6.722 -2.417 7.853 186 HD12 LEU 28 HD12 LEU 28 5.707 -2.528 6.405 187 HD13 LEU 28 HD13 LEU 28 7.456 -2.824 6.301 188 HD21 LEU 28 HD21 LEU 28 8.428 -4.721 7.606 189 HD22 LEU 28 HD22 LEU 28 7.358 -5.929 8.340 190 HD23 LEU 28 HD23 LEU 28 7.488 -4.303 9.048 191 H SER 29 H SER 29 5.528 -1.489 9.117 192 HA SER 29 HA SER 29 2.882 -0.171 9.155 193 HB2 SER 29 HB2 SER 29 3.829 1.752 9.898 194 HB3 SER 29 HB3 SER 29 4.772 0.513 10.715 195 HG SER 29 HG SER 29 6.106 2.105 9.867 196 H ILE 30 H ILE 30 2.519 1.777 7.827 197 HA ILE 30 HA ILE 30 2.828 1.440 4.987 198 HB ILE 30 HB ILE 30 2.453 4.013 6.602 199 HG12 ILE 30 HG12 ILE 30 0.673 2.518 7.256 200 HG13 ILE 30 HG13 ILE 30 0.052 3.824 6.273 201 HG21 ILE 30 HG21 ILE 30 1.315 4.853 4.535 202 HG22 ILE 30 HG22 ILE 30 3.046 4.555 4.322 203 HG23 ILE 30 HG23 ILE 30 1.873 3.404 3.676 204 HD11 ILE 30 HD11 ILE 30 0.523 0.963 5.322 205 HD12 ILE 30 HD12 ILE 30 -1.037 1.734 5.679 206 HD13 ILE 30 HD13 ILE 30 -0.077 2.299 4.314 207 H GLU 31 H GLU 31 4.772 3.282 7.413 208 HA GLU 31 HA GLU 31 6.432 4.494 5.331 209 HB2 GLU 31 HB2 GLU 31 6.717 4.402 8.370 210 HB3 GLU 31 HB3 GLU 31 7.756 5.340 7.275 211 HG2 GLU 31 HG2 GLU 31 5.788 6.594 6.452 212 HG3 GLU 31 HG3 GLU 31 4.749 5.719 7.593 213 H GLN 32 H GLN 32 6.735 1.670 7.494 214 HA GLN 32 HA GLN 32 9.481 1.101 6.760 215 HB2 GLN 32 HB2 GLN 32 7.260 -0.421 8.129 216 HB3 GLN 32 HB3 GLN 32 8.843 -1.152 7.823 217 HG2 GLN 32 HG2 GLN 32 8.341 1.374 9.475 218 HG3 GLN 32 HG3 GLN 32 8.529 -0.244 10.124 219 HE21 GLN 32 HE21 GLN 32 10.696 -1.372 9.626 220 HE22 GLN 32 HE22 GLN 32 12.110 -0.341 9.486 221 H ALA 33 H ALA 33 6.265 -0.077 5.529 222 HA ALA 33 HA ALA 33 7.479 -1.867 3.637 223 HB1 ALA 33 HB1 ALA 33 5.184 -1.789 2.558 224 HB2 ALA 33 HB2 ALA 33 5.183 -2.223 4.270 225 HB3 ALA 33 HB3 ALA 33 4.720 -0.578 3.774 226 H VAL 34 H VAL 34 6.985 1.610 3.553 227 HA VAL 34 HA VAL 34 7.661 1.904 0.703 228 HB VAL 34 HB VAL 34 7.466 3.842 3.027 229 HG11 VAL 34 HG11 VAL 34 8.092 4.461 0.106 230 HG12 VAL 34 HG12 VAL 34 7.607 5.660 1.322 231 HG13 VAL 34 HG13 VAL 34 9.135 4.802 1.509 232 HG21 VAL 34 HG21 VAL 34 5.806 3.609 0.492 233 HG22 VAL 34 HG22 VAL 34 5.333 2.863 2.005 234 HG23 VAL 34 HG23 VAL 34 5.479 4.619 1.927 235 H THR 35 H THR 35 9.485 2.229 3.845 236 HA THR 35 HA THR 35 11.861 2.993 2.484 237 HB THR 35 HB THR 35 11.232 3.389 4.944 238 HG1 THR 35 HG1 THR 35 13.367 3.769 5.299 239 HG21 THR 35 HG21 THR 35 12.236 1.987 6.585 240 HG22 THR 35 HG22 THR 35 13.039 0.975 5.370 241 HG23 THR 35 HG23 THR 35 11.285 0.890 5.575 242 H LEU 36 H LEU 36 10.689 -0.214 3.292 243 HA LEU 36 HA LEU 36 13.185 -1.541 2.518 244 HB2 LEU 36 HB2 LEU 36 10.369 -2.612 2.978 245 HB3 LEU 36 HB3 LEU 36 11.806 -3.602 2.746 246 HG LEU 36 HG LEU 36 11.326 -1.720 5.101 247 HD11 LEU 36 HD11 LEU 36 11.168 -3.785 6.402 248 HD12 LEU 36 HD12 LEU 36 11.404 -4.749 4.927 249 HD13 LEU 36 HD13 LEU 36 9.940 -3.758 5.131 250 HD21 LEU 36 HD21 LEU 36 13.716 -1.810 4.647 251 HD22 LEU 36 HD22 LEU 36 13.662 -3.584 4.521 252 HD23 LEU 36 HD23 LEU 36 13.348 -2.765 6.076 253 H LEU 37 H LEU 37 10.792 -0.072 0.681 254 HA LEU 37 HA LEU 37 11.172 -1.871 -1.667 255 HB2 LEU 37 HB2 LEU 37 8.957 -1.721 -0.685 256 HB3 LEU 37 HB3 LEU 37 8.939 0.037 -0.871 257 HG LEU 37 HG LEU 37 9.394 -1.603 -3.353 258 HD11 LEU 37 HD11 LEU 37 6.962 -1.970 -3.621 259 HD12 LEU 37 HD12 LEU 37 6.694 -1.366 -1.956 260 HD13 LEU 37 HD13 LEU 37 7.619 -2.854 -2.246 261 HD21 LEU 37 HD21 LEU 37 7.652 0.838 -2.733 262 HD22 LEU 37 HD22 LEU 37 7.924 0.131 -4.340 263 HD23 LEU 37 HD23 LEU 37 9.267 0.888 -3.475 264 H THR 38 H THR 38 11.304 1.546 -0.667 265 HA THR 38 HA THR 38 11.654 2.574 -3.328 266 HB THR 38 HB THR 38 12.199 3.930 -0.678 267 HG1 THR 38 HG1 THR 38 10.116 3.278 -0.754 268 HG21 THR 38 HG21 THR 38 11.712 6.010 -1.905 269 HG22 THR 38 HG22 THR 38 11.563 5.096 -3.421 270 HG23 THR 38 HG23 THR 38 13.135 5.215 -2.592 271 HA PRO 39 HA PRO 39 16.067 1.744 -3.583 272 HB2 PRO 39 HB2 PRO 39 16.722 3.033 -5.901 273 HB3 PRO 39 HB3 PRO 39 15.743 1.535 -5.857 274 HG2 PRO 39 HG2 PRO 39 14.734 4.406 -5.983 275 HG3 PRO 39 HG3 PRO 39 14.281 3.030 -7.050 276 HD2 PRO 39 HD2 PRO 39 12.761 3.722 -4.929 277 HD3 PRO 39 HD3 PRO 39 13.020 2.002 -5.321 278 H ARG 40 H ARG 40 18.049 2.735 -3.176 279 HA ARG 40 HA ARG 40 17.911 5.437 -1.949 280 HB2 ARG 40 HB2 ARG 40 20.069 3.288 -1.835 281 HB3 ARG 40 HB3 ARG 40 20.078 4.814 -0.939 282 HG2 ARG 40 HG2 ARG 40 18.079 2.530 -0.581 283 HG3 ARG 40 HG3 ARG 40 19.379 3.001 0.516 284 HD2 ARG 40 HD2 ARG 40 18.239 5.312 0.642 285 HD3 ARG 40 HD3 ARG 40 16.850 4.564 -0.145 286 HE ARG 40 HE ARG 40 17.868 4.140 2.592 287 HH11 ARG 40 HH11 ARG 40 15.485 2.931 0.257 288 HH12 ARG 40 HH12 ARG 40 14.564 2.208 1.550 289 HH21 ARG 40 HH21 ARG 40 16.498 3.321 4.105 290 HH22 ARG 40 HH22 ARG 40 14.957 2.690 3.622 291 H ARG 41 H ARG 41 18.739 4.387 -4.961 292 HA ARG 41 HA ARG 41 20.274 6.893 -5.511 293 HB2 ARG 41 HB2 ARG 41 20.641 4.185 -6.849 294 HB3 ARG 41 HB3 ARG 41 21.376 5.690 -7.413 295 HG2 ARG 41 HG2 ARG 41 21.978 4.366 -4.728 296 HG3 ARG 41 HG3 ARG 41 22.916 4.175 -6.197 297 HD2 ARG 41 HD2 ARG 41 24.125 5.756 -4.975 298 HD3 ARG 41 HD3 ARG 41 23.279 6.699 -6.217 299 HE ARG 41 HE ARG 41 21.680 6.608 -3.846 300 HH11 ARG 41 HH11 ARG 41 24.651 8.171 -4.875 301 HH12 ARG 41 HH12 ARG 41 24.442 9.474 -3.738 302 HH21 ARG 41 HH21 ARG 41 21.460 8.247 -2.492 303 HH22 ARG 41 HH22 ARG 41 22.651 9.525 -2.411 304 H GLY 42 H GLY 42 19.807 7.952 -7.423 305 HA2 GLY 42 HA2 GLY 42 18.456 8.761 -9.117 306 HA3 GLY 42 HA3 GLY 42 17.734 7.164 -9.281 307 H GLY 43 H GLY 43 15.907 8.779 -9.739 308 HA2 GLY 43 HA2 GLY 43 14.520 10.012 -7.466 309 HA3 GLY 43 HA3 GLY 43 13.936 9.866 -9.127 310 H GLY 44 H GLY 44 14.061 8.341 -5.968 311 HA2 GLY 44 HA2 GLY 44 12.768 5.852 -6.650 312 HA3 GLY 44 HA3 GLY 44 12.999 6.534 -5.039 313 H SER 45 H SER 45 11.443 9.028 -6.032 314 HA SER 45 HA SER 45 8.689 8.054 -6.407 315 HB2 SER 45 HB2 SER 45 7.843 9.238 -4.413 316 HB3 SER 45 HB3 SER 45 8.903 7.886 -4.003 317 HG SER 45 HG SER 45 9.376 9.751 -2.764 318 H GLY 46 H GLY 46 7.158 9.741 -6.783 319 HA2 GLY 46 HA2 GLY 46 8.237 12.299 -7.930 320 HA3 GLY 46 HA3 GLY 46 6.713 11.517 -8.351 321 H GLY 47 H GLY 47 5.217 12.965 -7.752 322 HA2 GLY 47 HA2 GLY 47 4.561 13.229 -4.954 323 HA3 GLY 47 HA3 GLY 47 5.079 14.781 -5.626 324 H GLY 48 H GLY 48 2.453 14.105 -4.599 325 HA2 GLY 48 HA2 GLY 48 0.255 14.559 -5.063 326 HA3 GLY 48 HA3 GLY 48 0.778 15.296 -6.575 327 H SER 49 H SER 49 1.446 11.902 -5.962 328 HA SER 49 HA SER 49 -0.751 10.918 -7.708 329 HB2 SER 49 HB2 SER 49 1.226 11.757 -9.101 330 HB3 SER 49 HB3 SER 49 2.177 10.444 -8.386 331 HG SER 49 HG SER 49 1.156 9.940 -10.437 332 H MET 50 H MET 50 -0.004 8.426 -8.175 333 HA MET 50 HA MET 50 -0.060 7.070 -5.569 334 HB2 MET 50 HB2 MET 50 -0.293 6.100 -8.438 335 HB3 MET 50 HB3 MET 50 -0.170 5.002 -7.061 336 HG2 MET 50 HG2 MET 50 -2.462 5.213 -7.511 337 HG3 MET 50 HG3 MET 50 -2.137 6.067 -6.008 338 HE1 MET 50 HE1 MET 50 -4.878 6.286 -7.496 339 HE2 MET 50 HE2 MET 50 -4.457 7.161 -6.002 340 HE3 MET 50 HE3 MET 50 -5.177 8.045 -7.375 341 H ASP 51 H ASP 51 2.015 8.058 -5.045 342 HA ASP 51 HA ASP 51 4.395 6.435 -5.692 343 HB2 ASP 51 HB2 ASP 51 3.909 8.419 -3.447 344 HB3 ASP 51 HB3 ASP 51 5.463 7.702 -3.894 345 H ALA 52 H ALA 52 5.499 5.231 -3.840 346 HA ALA 52 HA ALA 52 3.949 3.056 -3.111 347 HB1 ALA 52 HB1 ALA 52 6.386 3.053 -3.212 348 HB2 ALA 52 HB2 ALA 52 6.473 4.090 -1.771 349 HB3 ALA 52 HB3 ALA 52 5.831 2.441 -1.649 350 H LYS 53 H LYS 53 4.535 5.927 -1.058 351 HA LYS 53 HA LYS 53 3.268 4.959 1.323 352 HB2 LYS 53 HB2 LYS 53 4.749 7.059 0.881 353 HB3 LYS 53 HB3 LYS 53 3.276 7.873 0.388 354 HG2 LYS 53 HG2 LYS 53 3.842 6.621 3.100 355 HG3 LYS 53 HG3 LYS 53 3.947 8.342 2.705 356 HD2 LYS 53 HD2 LYS 53 1.507 8.410 2.259 357 HD3 LYS 53 HD3 LYS 53 1.419 6.696 2.690 358 HE2 LYS 53 HE2 LYS 53 2.268 7.175 4.936 359 HE3 LYS 53 HE3 LYS 53 2.244 8.907 4.579 360 HZ1 LYS 53 HZ1 LYS 53 -0.137 8.774 4.257 361 HZ2 LYS 53 HZ2 LYS 53 0.186 8.079 5.701 362 HZ3 LYS 53 HZ3 LYS 53 -0.151 7.144 4.395 363 H GLU 54 H GLU 54 1.911 6.902 -1.316 364 HA GLU 54 HA GLU 54 -0.799 6.968 -0.410 365 HB2 GLU 54 HB2 GLU 54 0.222 8.434 -2.183 366 HB3 GLU 54 HB3 GLU 54 0.305 7.046 -3.245 367 HG2 GLU 54 HG2 GLU 54 -1.576 8.336 -3.913 368 HG3 GLU 54 HG3 GLU 54 -2.170 6.837 -3.215 369 H ILE 55 H ILE 55 0.866 4.615 -2.538 370 HA ILE 55 HA ILE 55 -1.397 2.953 -3.089 371 HB ILE 55 HB ILE 55 1.575 2.290 -3.008 372 HG12 ILE 55 HG12 ILE 55 -0.171 2.666 -5.478 373 HG13 ILE 55 HG13 ILE 55 0.595 4.053 -4.719 374 HG21 ILE 55 HG21 ILE 55 0.434 0.200 -2.814 375 HG22 ILE 55 HG22 ILE 55 -0.825 0.696 -3.962 376 HG23 ILE 55 HG23 ILE 55 0.799 0.357 -4.534 377 HD11 ILE 55 HD11 ILE 55 2.817 3.105 -5.010 378 HD12 ILE 55 HD12 ILE 55 2.143 1.640 -5.738 379 HD13 ILE 55 HD13 ILE 55 1.970 3.195 -6.559 380 H LEU 56 H LEU 56 1.140 2.573 -0.524 381 HA LEU 56 HA LEU 56 -0.117 0.288 0.668 382 HB2 LEU 56 HB2 LEU 56 2.016 2.263 1.519 383 HB3 LEU 56 HB3 LEU 56 1.280 1.242 2.735 384 HG LEU 56 HG LEU 56 3.262 0.201 2.163 385 HD11 LEU 56 HD11 LEU 56 1.217 -1.278 2.348 386 HD12 LEU 56 HD12 LEU 56 2.606 -1.971 1.476 387 HD13 LEU 56 HD13 LEU 56 1.207 -1.382 0.575 388 HD21 LEU 56 HD21 LEU 56 3.855 -0.559 -0.101 389 HD22 LEU 56 HD22 LEU 56 3.824 1.190 0.084 390 HD23 LEU 56 HD23 LEU 56 2.485 0.368 -0.752 391 H THR 57 H THR 57 -0.549 3.758 1.314 392 HA THR 57 HA THR 57 -2.153 3.472 3.662 393 HB THR 57 HB THR 57 -2.233 5.672 1.560 394 HG1 THR 57 HG1 THR 57 -0.247 5.448 2.521 395 HG21 THR 57 HG21 THR 57 -3.074 7.073 3.457 396 HG22 THR 57 HG22 THR 57 -3.222 5.603 4.448 397 HG23 THR 57 HG23 THR 57 -4.222 5.805 3.000 398 H ARG 58 H ARG 58 -3.153 3.680 0.209 399 HA ARG 58 HA ARG 58 -5.980 3.277 0.768 400 HB2 ARG 58 HB2 ARG 58 -4.360 2.853 -1.784 401 HB3 ARG 58 HB3 ARG 58 -6.134 2.771 -1.660 402 HG2 ARG 58 HG2 ARG 58 -6.240 5.115 -0.948 403 HG3 ARG 58 HG3 ARG 58 -4.482 5.254 -1.033 404 HD2 ARG 58 HD2 ARG 58 -4.557 4.633 -3.446 405 HD3 ARG 58 HD3 ARG 58 -6.327 4.572 -3.361 406 HE ARG 58 HE ARG 58 -4.714 7.051 -2.723 407 HH11 ARG 58 HH11 ARG 58 -7.504 5.764 -4.438 408 HH12 ARG 58 HH12 ARG 58 -8.010 7.369 -4.904 409 HH21 ARG 58 HH21 ARG 58 -5.350 8.895 -3.295 410 HH22 ARG 58 HH22 ARG 58 -6.793 9.155 -4.278 411 H PHE 59 H PHE 59 -3.366 0.986 -0.088 412 HA PHE 59 HA PHE 59 -5.025 -1.323 -0.269 413 HB2 PHE 59 HB2 PHE 59 -2.803 -1.299 -1.186 414 HB3 PHE 59 HB3 PHE 59 -2.089 -0.876 0.366 415 HD1 PHE 59 HD1 PHE 59 -4.206 -3.614 -1.160 416 HD2 PHE 59 HD2 PHE 59 -1.114 -2.544 1.651 417 HE1 PHE 59 HE1 PHE 59 -3.923 -6.007 -0.556 418 HE2 PHE 59 HE2 PHE 59 -0.808 -4.928 2.219 419 HZ PHE 59 HZ PHE 59 -2.216 -6.656 1.152 420 H LYS 60 H LYS 60 -3.212 -0.035 2.581 421 HA LYS 60 HA LYS 60 -4.122 -2.141 4.273 422 HB2 LYS 60 HB2 LYS 60 -2.083 -0.689 4.608 423 HB3 LYS 60 HB3 LYS 60 -3.162 0.600 5.175 424 HG2 LYS 60 HG2 LYS 60 -3.953 -0.915 7.007 425 HG3 LYS 60 HG3 LYS 60 -2.883 -2.195 6.389 426 HD2 LYS 60 HD2 LYS 60 -0.915 -0.694 6.822 427 HD3 LYS 60 HD3 LYS 60 -2.024 0.502 7.529 428 HE2 LYS 60 HE2 LYS 60 -2.729 -1.072 9.248 429 HE3 LYS 60 HE3 LYS 60 -1.793 -2.379 8.503 430 HZ1 LYS 60 HZ1 LYS 60 -0.585 0.088 9.632 431 HZ2 LYS 60 HZ2 LYS 60 0.232 -1.221 9.061 432 HZ3 LYS 60 HZ3 LYS 60 -0.675 -1.338 10.418 433 H ASP 61 H ASP 61 -5.497 1.042 3.595 434 HA ASP 61 HA ASP 61 -7.663 0.855 5.517 435 HB2 ASP 61 HB2 ASP 61 -6.709 2.965 4.573 436 HB3 ASP 61 HB3 ASP 61 -7.389 2.544 2.999 437 H GLY 62 H GLY 62 -7.171 -0.811 2.563 438 HA2 GLY 62 HA2 GLY 62 -8.522 -2.383 1.542 439 HA3 GLY 62 HA3 GLY 62 -9.887 -1.918 2.557 440 H GLY 63 H GLY 63 -8.465 0.765 1.000 441 HA2 GLY 63 HA2 GLY 63 -10.643 1.111 -0.969 442 HA3 GLY 63 HA3 GLY 63 -9.320 2.225 -0.615 443 H LEU 64 H LEU 64 -7.609 -0.470 -0.977 444 HA LEU 64 HA LEU 64 -7.616 -0.653 -3.945 445 HB2 LEU 64 HB2 LEU 64 -5.840 0.962 -2.954 446 HB3 LEU 64 HB3 LEU 64 -5.090 -0.476 -2.281 447 HG LEU 64 HG LEU 64 -4.929 -1.368 -4.682 448 HD11 LEU 64 HD11 LEU 64 -6.571 0.149 -5.751 449 HD12 LEU 64 HD12 LEU 64 -4.962 0.400 -6.436 450 HD13 LEU 64 HD13 LEU 64 -5.610 1.557 -5.248 451 HD21 LEU 64 HD21 LEU 64 -3.017 -0.427 -3.457 452 HD22 LEU 64 HD22 LEU 64 -3.486 1.207 -3.958 453 HD23 LEU 64 HD23 LEU 64 -2.955 0.018 -5.170 454 H ASP 65 H ASP 65 -7.210 -2.718 -4.723 455 HA ASP 65 HA ASP 65 -7.276 -4.926 -2.773 456 HB2 ASP 65 HB2 ASP 65 -7.408 -5.076 -5.796 457 HB3 ASP 65 HB3 ASP 65 -7.839 -6.337 -4.638 458 H ARG 66 H ARG 66 -5.930 -6.870 -3.103 459 HA ARG 66 HA ARG 66 -3.157 -6.402 -2.923 460 HB2 ARG 66 HB2 ARG 66 -4.407 -8.394 -2.094 461 HB3 ARG 66 HB3 ARG 66 -4.578 -8.956 -3.750 462 HG2 ARG 66 HG2 ARG 66 -2.766 -10.131 -2.742 463 HG3 ARG 66 HG3 ARG 66 -2.097 -9.083 -3.964 464 HD2 ARG 66 HD2 ARG 66 -0.623 -8.959 -2.107 465 HD3 ARG 66 HD3 ARG 66 -1.510 -7.444 -2.099 466 HE ARG 66 HE ARG 66 -2.925 -8.303 -0.287 467 HH11 ARG 66 HH11 ARG 66 -0.222 -10.498 -0.893 468 HH12 ARG 66 HH12 ARG 66 -0.077 -10.840 0.820 469 HH21 ARG 66 HH21 ARG 66 -2.860 -9.200 1.779 470 HH22 ARG 66 HH22 ARG 66 -1.567 -10.336 2.155 471 H ALA 67 H ALA 67 -4.961 -7.535 -5.779 472 HA ALA 67 HA ALA 67 -2.712 -7.912 -7.486 473 HB1 ALA 67 HB1 ALA 67 -4.431 -7.942 -9.282 474 HB2 ALA 67 HB2 ALA 67 -4.919 -8.915 -7.876 475 HB3 ALA 67 HB3 ALA 67 -5.625 -7.292 -8.126 476 H ALA 68 H ALA 68 -4.780 -5.046 -6.954 477 HA ALA 68 HA ALA 68 -3.454 -3.372 -8.917 478 HB1 ALA 68 HB1 ALA 68 -4.745 -1.579 -7.804 479 HB2 ALA 68 HB2 ALA 68 -5.761 -2.964 -8.214 480 HB3 ALA 68 HB3 ALA 68 -5.233 -2.716 -6.536 481 H ALA 69 H ALA 69 -3.127 -3.729 -5.318 482 HA ALA 69 HA ALA 69 -1.179 -1.730 -4.950 483 HB1 ALA 69 HB1 ALA 69 -2.430 -2.835 -3.143 484 HB2 ALA 69 HB2 ALA 69 -1.534 -4.338 -3.425 485 HB3 ALA 69 HB3 ALA 69 -0.686 -2.875 -2.843 486 H GLN 70 H GLN 70 -0.679 -5.184 -5.799 487 HA GLN 70 HA GLN 70 2.198 -5.057 -5.906 488 HB2 GLN 70 HB2 GLN 70 0.213 -6.840 -7.379 489 HB3 GLN 70 HB3 GLN 70 1.969 -7.064 -7.395 490 HG2 GLN 70 HG2 GLN 70 2.066 -7.555 -5.083 491 HG3 GLN 70 HG3 GLN 70 0.391 -7.085 -4.807 492 HE21 GLN 70 HE21 GLN 70 2.428 -9.804 -5.522 493 HE22 GLN 70 HE22 GLN 70 1.112 -10.882 -5.958 494 H ALA 71 H ALA 71 -0.318 -4.416 -8.428 495 HA ALA 71 HA ALA 71 1.555 -4.216 -10.594 496 HB1 ALA 71 HB1 ALA 71 -0.371 -3.275 -11.816 497 HB2 ALA 71 HB2 ALA 71 -0.821 -4.743 -10.931 498 HB3 ALA 71 HB3 ALA 71 -1.278 -3.143 -10.291 499 H LEU 72 H LEU 72 -0.114 -1.653 -8.655 500 HA LEU 72 HA LEU 72 1.229 0.537 -9.867 501 HB2 LEU 72 HB2 LEU 72 -0.153 0.142 -7.178 502 HB3 LEU 72 HB3 LEU 72 0.607 1.662 -7.656 503 HG LEU 72 HG LEU 72 -1.553 2.071 -8.071 504 HD11 LEU 72 HD11 LEU 72 -1.796 2.429 -10.433 505 HD12 LEU 72 HD12 LEU 72 -0.662 1.107 -10.793 506 HD13 LEU 72 HD13 LEU 72 -0.072 2.606 -10.024 507 HD21 LEU 72 HD21 LEU 72 -1.956 -0.560 -9.497 508 HD22 LEU 72 HD22 LEU 72 -3.159 0.729 -9.327 509 HD23 LEU 72 HD23 LEU 72 -2.570 -0.099 -7.892 510 H LEU 73 H LEU 73 2.236 -1.426 -7.051 511 HA LEU 73 HA LEU 73 4.609 0.176 -6.529 512 HB2 LEU 73 HB2 LEU 73 3.817 -2.676 -5.796 513 HB3 LEU 73 HB3 LEU 73 5.329 -1.926 -5.296 514 HG LEU 73 HG LEU 73 2.589 -0.819 -4.603 515 HD11 LEU 73 HD11 LEU 73 4.528 -2.377 -2.852 516 HD12 LEU 73 HD12 LEU 73 3.020 -3.015 -3.532 517 HD13 LEU 73 HD13 LEU 73 2.965 -1.693 -2.356 518 HD21 LEU 73 HD21 LEU 73 3.795 0.517 -2.910 519 HD22 LEU 73 HD22 LEU 73 4.248 0.965 -4.553 520 HD23 LEU 73 HD23 LEU 73 5.342 -0.044 -3.575 521 H ALA 74 H ALA 74 4.041 -2.634 -8.645 522 HA ALA 74 HA ALA 74 6.818 -2.799 -9.497 523 HB1 ALA 74 HB1 ALA 74 5.947 -4.472 -11.072 524 HB2 ALA 74 HB2 ALA 74 5.318 -4.752 -9.432 525 HB3 ALA 74 HB3 ALA 74 4.283 -4.014 -10.669 526 H GLY 75 H GLY 75 4.560 -0.416 -10.194 527 HA2 GLY 75 HA2 GLY 75 4.747 1.384 -11.646 528 HA3 GLY 75 HA3 GLY 75 6.079 0.586 -12.490 529 H ARG 76 H ARG 76 3.174 -1.269 -12.161 530 HA ARG 76 HA ARG 76 2.434 -0.863 -15.039 531 HB2 ARG 76 HB2 ARG 76 2.032 -3.213 -13.128 532 HB3 ARG 76 HB3 ARG 76 1.258 -3.089 -14.711 533 HG2 ARG 76 HG2 ARG 76 3.456 -2.972 -15.825 534 HG3 ARG 76 HG3 ARG 76 4.273 -3.111 -14.258 535 HD2 ARG 76 HD2 ARG 76 3.334 -5.309 -13.879 536 HD3 ARG 76 HD3 ARG 76 2.301 -5.195 -15.303 537 HE ARG 76 HE ARG 76 5.205 -5.777 -15.210 538 HH11 ARG 76 HH11 ARG 76 2.554 -4.944 -17.370 539 HH12 ARG 76 HH12 ARG 76 3.407 -5.534 -18.773 540 HH21 ARG 76 HH21 ARG 76 6.225 -6.489 -17.018 541 HH22 ARG 76 HH22 ARG 76 5.441 -6.368 -18.580 542 H THR 77 H THR 77 0.158 -0.906 -15.585 543 HA THR 77 HA THR 77 -1.572 0.535 -13.722 544 HB THR 77 HB THR 77 -3.308 0.149 -15.544 545 HG1 THR 77 HG1 THR 77 -2.499 -0.530 -17.531 546 HG21 THR 77 HG21 THR 77 -0.693 1.488 -16.384 547 HG22 THR 77 HG22 THR 77 -1.962 2.232 -15.387 548 HG23 THR 77 HG23 THR 77 -2.299 1.785 -17.068 549 HA PRO 78 HA PRO 78 -3.343 -3.015 -11.754 550 HB2 PRO 78 HB2 PRO 78 -5.835 -2.151 -11.019 551 HB3 PRO 78 HB3 PRO 78 -4.319 -1.537 -10.289 552 HG2 PRO 78 HG2 PRO 78 -5.931 -0.268 -12.523 553 HG3 PRO 78 HG3 PRO 78 -5.317 0.501 -11.031 554 HD2 PRO 78 HD2 PRO 78 -3.976 0.681 -13.382 555 HD3 PRO 78 HD3 PRO 78 -3.089 0.510 -11.839 556 H ALA 79 H ALA 79 -4.624 -4.823 -12.160 557 HA ALA 79 HA ALA 79 -5.587 -5.140 -14.883 558 HB1 ALA 79 HB1 ALA 79 -5.859 -7.493 -14.219 559 HB2 ALA 79 HB2 ALA 79 -4.263 -6.875 -13.766 560 HB3 ALA 79 HB3 ALA 79 -5.518 -7.071 -12.527 561 H ALA 80 H ALA 80 -7.634 -5.663 -15.598 562 HA ALA 80 HA ALA 80 -9.908 -5.870 -13.738 563 HB1 ALA 80 HB1 ALA 80 -9.837 -3.469 -14.218 564 HB2 ALA 80 HB2 ALA 80 -9.799 -3.795 -15.975 565 HB3 ALA 80 HB3 ALA 80 -11.239 -4.212 -15.014 566 H ALA 81 H ALA 81 -11.478 -7.215 -14.472 567 HA ALA 81 HA ALA 81 -12.124 -9.157 -15.465 568 HB1 ALA 81 HB1 ALA 81 -12.288 -7.245 -17.832 569 HB2 ALA 81 HB2 ALA 81 -13.216 -8.742 -17.631 570 HB3 ALA 81 HB3 ALA 81 -13.472 -7.396 -16.511 571 HA PRO 82 HA PRO 82 -8.082 -10.061 -17.607 572 HB2 PRO 82 HB2 PRO 82 -6.629 -11.421 -15.748 573 HB3 PRO 82 HB3 PRO 82 -6.883 -9.658 -15.625 574 HG2 PRO 82 HG2 PRO 82 -8.506 -11.858 -14.287 575 HG3 PRO 82 HG3 PRO 82 -7.724 -10.450 -13.496 576 HD2 PRO 82 HD2 PRO 82 -10.350 -10.390 -14.235 577 HD3 PRO 82 HD3 PRO 82 -9.293 -8.954 -14.372 578 H ARG 83 H ARG 83 -10.627 -11.802 -17.076 579 HA ARG 83 HA ARG 83 -9.777 -14.165 -18.594 580 HB2 ARG 83 HB2 ARG 83 -10.745 -15.781 -16.983 581 HB3 ARG 83 HB3 ARG 83 -9.316 -14.985 -16.350 582 HG2 ARG 83 HG2 ARG 83 -10.505 -13.739 -14.770 583 HG3 ARG 83 HG3 ARG 83 -12.035 -13.840 -15.629 584 HD2 ARG 83 HD2 ARG 83 -10.681 -16.229 -14.322 585 HD3 ARG 83 HD3 ARG 83 -11.937 -15.238 -13.555 586 HE ARG 83 HE ARG 83 -12.976 -16.017 -16.065 587 HH11 ARG 83 HH11 ARG 83 -12.065 -17.774 -13.161 588 HH12 ARG 83 HH12 ARG 83 -13.188 -19.061 -13.512 589 HH21 ARG 83 HH21 ARG 83 -14.282 -17.539 -16.441 590 HH22 ARG 83 HH22 ARG 83 -14.458 -18.950 -15.395 591 HA PRO 84 HA PRO 84 -14.052 -13.930 -20.043 592 HB2 PRO 84 HB2 PRO 84 -14.523 -16.480 -20.872 593 HB3 PRO 84 HB3 PRO 84 -13.433 -15.367 -21.751 594 HG2 PRO 84 HG2 PRO 84 -12.654 -17.496 -19.720 595 HG3 PRO 84 HG3 PRO 84 -11.961 -17.221 -21.348 596 HD2 PRO 84 HD2 PRO 84 -10.779 -16.213 -19.131 597 HD3 PRO 84 HD3 PRO 84 -10.845 -15.262 -20.643 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 25.150 -1.819 5.461 2 H2 GLY 1 H2 GLY 1 25.935 -2.911 4.509 3 H3 GLY 1 H3 GLY 1 24.404 -3.200 5.027 4 HA2 GLY 1 HA2 GLY 1 25.149 -1.012 3.232 5 HA3 GLY 1 HA3 GLY 1 24.426 -2.546 2.693 6 HA PRO 2 HA PRO 2 21.267 0.817 3.811 7 HB2 PRO 2 HB2 PRO 2 20.578 0.547 0.897 8 HB3 PRO 2 HB3 PRO 2 20.610 2.022 1.912 9 HG2 PRO 2 HG2 PRO 2 22.606 1.520 0.159 10 HG3 PRO 2 HG3 PRO 2 23.006 2.129 1.801 11 HD2 PRO 2 HD2 PRO 2 23.064 -0.728 0.795 12 HD3 PRO 2 HD3 PRO 2 24.294 0.160 1.737 13 H GLY 3 H GLY 3 19.102 0.428 4.331 14 HA2 GLY 3 HA2 GLY 3 18.002 -2.242 4.058 15 HA3 GLY 3 HA3 GLY 3 17.214 -0.830 4.753 16 H SER 4 H SER 4 17.893 0.560 2.020 17 HA SER 4 HA SER 4 15.392 0.091 0.662 18 HB2 SER 4 HB2 SER 4 16.513 1.688 -1.035 19 HB3 SER 4 HB3 SER 4 16.119 2.274 0.587 20 HG SER 4 HG SER 4 18.184 2.921 0.147 21 H TYR 5 H TYR 5 15.141 -0.446 -1.558 22 HA TYR 5 HA TYR 5 16.142 -3.087 -2.014 23 HB2 TYR 5 HB2 TYR 5 13.800 -2.221 -2.382 24 HB3 TYR 5 HB3 TYR 5 14.394 -1.362 -3.798 25 HD1 TYR 5 HD1 TYR 5 14.218 -4.780 -2.238 26 HD2 TYR 5 HD2 TYR 5 14.394 -2.509 -5.907 27 HE1 TYR 5 HE1 TYR 5 13.936 -6.874 -3.558 28 HE2 TYR 5 HE2 TYR 5 14.111 -4.605 -7.220 29 HH TYR 5 HH TYR 5 13.933 -6.878 -7.147 30 H THR 6 H THR 6 17.052 -3.962 -4.026 31 HA THR 6 HA THR 6 19.301 -2.383 -4.981 32 HB THR 6 HB THR 6 19.683 -4.414 -6.464 33 HG1 THR 6 HG1 THR 6 18.590 -6.277 -5.833 34 HG21 THR 6 HG21 THR 6 20.868 -4.047 -4.329 35 HG22 THR 6 HG22 THR 6 20.524 -5.766 -4.595 36 HG23 THR 6 HG23 THR 6 19.535 -4.831 -3.448 37 H GLY 7 H GLY 7 19.305 -0.991 -6.583 38 HA2 GLY 7 HA2 GLY 7 16.928 -0.384 -8.048 39 HA3 GLY 7 HA3 GLY 7 18.494 0.400 -8.218 40 H ALA 8 H ALA 8 19.107 -2.793 -8.880 41 HA ALA 8 HA ALA 8 19.480 -2.275 -11.684 42 HB1 ALA 8 HB1 ALA 8 19.863 -4.822 -10.064 43 HB2 ALA 8 HB2 ALA 8 20.552 -4.478 -11.660 44 HB3 ALA 8 HB3 ALA 8 21.072 -3.532 -10.262 45 H GLY 9 H GLY 9 16.680 -3.402 -10.085 46 HA2 GLY 9 HA2 GLY 9 15.293 -3.916 -12.556 47 HA3 GLY 9 HA3 GLY 9 15.618 -5.429 -11.701 48 H GLU 10 H GLU 10 13.121 -5.187 -12.009 49 HA GLU 10 HA GLU 10 11.781 -3.640 -9.884 50 HB2 GLU 10 HB2 GLU 10 10.732 -5.477 -12.055 51 HB3 GLU 10 HB3 GLU 10 9.713 -4.651 -10.860 52 HG2 GLU 10 HG2 GLU 10 10.452 -2.469 -11.679 53 HG3 GLU 10 HG3 GLU 10 11.552 -3.233 -12.839 54 HA PRO 11 HA PRO 11 11.453 -7.238 -7.136 55 HB2 PRO 11 HB2 PRO 11 9.296 -6.563 -5.614 56 HB3 PRO 11 HB3 PRO 11 10.891 -5.764 -5.441 57 HG2 PRO 11 HG2 PRO 11 8.480 -4.810 -7.028 58 HG3 PRO 11 HG3 PRO 11 9.473 -3.875 -5.862 59 HD2 PRO 11 HD2 PRO 11 9.861 -3.755 -8.573 60 HD3 PRO 11 HD3 PRO 11 11.230 -3.652 -7.422 61 H SER 12 H SER 12 10.275 -9.153 -7.038 62 HA SER 12 HA SER 12 8.396 -9.689 -9.222 63 HB2 SER 12 HB2 SER 12 8.459 -11.948 -8.526 64 HB3 SER 12 HB3 SER 12 10.118 -11.328 -8.429 65 HG SER 12 HG SER 12 9.690 -12.453 -6.569 66 H GLN 13 H GLN 13 6.276 -10.549 -9.029 67 HA GLN 13 HA GLN 13 4.499 -9.322 -7.164 68 HB2 GLN 13 HB2 GLN 13 2.841 -10.879 -7.953 69 HB3 GLN 13 HB3 GLN 13 3.767 -10.205 -9.304 70 HG2 GLN 13 HG2 GLN 13 5.074 -12.318 -9.444 71 HG3 GLN 13 HG3 GLN 13 4.170 -12.968 -8.067 72 HE21 GLN 13 HE21 GLN 13 3.746 -11.796 -11.467 73 HE22 GLN 13 HE22 GLN 13 2.318 -12.781 -11.748 74 H ALA 14 H ALA 14 6.585 -12.115 -6.776 75 HA ALA 14 HA ALA 14 5.119 -13.187 -4.469 76 HB1 ALA 14 HB1 ALA 14 6.985 -14.779 -4.353 77 HB2 ALA 14 HB2 ALA 14 6.336 -14.687 -5.996 78 HB3 ALA 14 HB3 ALA 14 7.872 -13.869 -5.586 79 H ASP 15 H ASP 15 8.065 -11.236 -4.965 80 HA ASP 15 HA ASP 15 8.627 -10.940 -2.130 81 HB2 ASP 15 HB2 ASP 15 9.536 -9.228 -4.468 82 HB3 ASP 15 HB3 ASP 15 10.171 -9.148 -2.829 83 H LEU 16 H LEU 16 6.658 -9.158 -4.384 84 HA LEU 16 HA LEU 16 5.957 -7.013 -2.543 85 HB2 LEU 16 HB2 LEU 16 4.660 -8.079 -5.073 86 HB3 LEU 16 HB3 LEU 16 4.025 -6.693 -4.177 87 HG LEU 16 HG LEU 16 6.868 -6.706 -5.217 88 HD11 LEU 16 HD11 LEU 16 5.361 -7.031 -7.136 89 HD12 LEU 16 HD12 LEU 16 6.043 -5.393 -7.133 90 HD13 LEU 16 HD13 LEU 16 4.373 -5.660 -6.610 91 HD21 LEU 16 HD21 LEU 16 4.928 -4.486 -4.446 92 HD22 LEU 16 HD22 LEU 16 6.574 -4.250 -5.073 93 HD23 LEU 16 HD23 LEU 16 6.331 -5.015 -3.495 94 H ASP 17 H ASP 17 4.259 -10.089 -3.479 95 HA ASP 17 HA ASP 17 2.086 -9.789 -1.686 96 HB2 ASP 17 HB2 ASP 17 2.311 -11.492 -3.521 97 HB3 ASP 17 HB3 ASP 17 3.521 -12.345 -2.576 98 H ALA 18 H ALA 18 5.336 -11.132 -1.060 99 HA ALA 18 HA ALA 18 4.873 -12.042 1.607 100 HB1 ALA 18 HB1 ALA 18 7.437 -11.048 0.300 101 HB2 ALA 18 HB2 ALA 18 7.329 -12.018 1.775 102 HB3 ALA 18 HB3 ALA 18 6.813 -12.716 0.224 103 H LEU 19 H LEU 19 6.001 -8.857 0.366 104 HA LEU 19 HA LEU 19 6.336 -7.638 2.954 105 HB2 LEU 19 HB2 LEU 19 7.391 -6.818 0.836 106 HB3 LEU 19 HB3 LEU 19 5.799 -6.425 0.201 107 HG LEU 19 HG LEU 19 5.554 -4.854 2.296 108 HD11 LEU 19 HD11 LEU 19 8.586 -5.150 2.185 109 HD12 LEU 19 HD12 LEU 19 7.538 -5.699 3.514 110 HD13 LEU 19 HD13 LEU 19 7.657 -3.976 3.142 111 HD21 LEU 19 HD21 LEU 19 5.699 -4.056 0.040 112 HD22 LEU 19 HD22 LEU 19 7.469 -4.268 0.021 113 HD23 LEU 19 HD23 LEU 19 6.724 -3.053 1.086 114 H LEU 20 H LEU 20 3.715 -7.528 0.533 115 HA LEU 20 HA LEU 20 2.073 -5.662 1.856 116 HB2 LEU 20 HB2 LEU 20 1.529 -7.797 -0.188 117 HB3 LEU 20 HB3 LEU 20 0.280 -6.663 0.280 118 HG LEU 20 HG LEU 20 2.966 -5.681 -0.792 119 HD11 LEU 20 HD11 LEU 20 1.955 -5.457 -2.990 120 HD12 LEU 20 HD12 LEU 20 0.431 -6.168 -2.417 121 HD13 LEU 20 HD13 LEU 20 1.905 -7.158 -2.495 122 HD21 LEU 20 HD21 LEU 20 1.533 -4.049 0.399 123 HD22 LEU 20 HD22 LEU 20 0.205 -4.412 -0.722 124 HD23 LEU 20 HD23 LEU 20 1.704 -3.671 -1.317 125 H SER 21 H SER 21 2.072 -9.270 2.029 126 HA SER 21 HA SER 21 -0.316 -9.586 3.551 127 HB2 SER 21 HB2 SER 21 2.216 -11.273 3.557 128 HB3 SER 21 HB3 SER 21 0.670 -11.755 4.270 129 HG SER 21 HG SER 21 1.322 -11.291 1.549 130 H ALA 22 H ALA 22 2.947 -8.670 4.647 131 HA ALA 22 HA ALA 22 2.335 -9.029 7.471 132 HB1 ALA 22 HB1 ALA 22 4.631 -9.209 6.488 133 HB2 ALA 22 HB2 ALA 22 4.594 -7.463 6.136 134 HB3 ALA 22 HB3 ALA 22 4.525 -8.040 7.813 135 H VAL 23 H VAL 23 2.082 -6.297 5.180 136 HA VAL 23 HA VAL 23 1.410 -4.437 7.391 137 HB VAL 23 HB VAL 23 2.700 -3.487 5.688 138 HG11 VAL 23 HG11 VAL 23 2.232 -4.927 3.847 139 HG12 VAL 23 HG12 VAL 23 0.600 -4.237 3.664 140 HG13 VAL 23 HG13 VAL 23 2.058 -3.249 3.387 141 HG21 VAL 23 HG21 VAL 23 1.439 -1.547 5.026 142 HG22 VAL 23 HG22 VAL 23 -0.100 -2.399 5.250 143 HG23 VAL 23 HG23 VAL 23 0.935 -2.023 6.651 144 H ARG 24 H ARG 24 -0.355 -6.289 4.941 145 HA ARG 24 HA ARG 24 -2.960 -5.306 5.569 146 HB2 ARG 24 HB2 ARG 24 -2.375 -6.657 3.568 147 HB3 ARG 24 HB3 ARG 24 -2.053 -8.048 4.581 148 HG2 ARG 24 HG2 ARG 24 -4.178 -8.261 3.459 149 HG3 ARG 24 HG3 ARG 24 -4.458 -8.176 5.188 150 HD2 ARG 24 HD2 ARG 24 -4.697 -5.768 3.330 151 HD3 ARG 24 HD3 ARG 24 -6.052 -6.873 3.649 152 HE ARG 24 HE ARG 24 -5.182 -6.140 6.173 153 HH11 ARG 24 HH11 ARG 24 -6.301 -4.213 3.439 154 HH12 ARG 24 HH12 ARG 24 -6.755 -2.899 4.498 155 HH21 ARG 24 HH21 ARG 24 -5.754 -4.376 7.393 156 HH22 ARG 24 HH22 ARG 24 -6.367 -2.948 6.580 157 H ASP 25 H ASP 25 -1.006 -7.842 7.118 158 HA ASP 25 HA ASP 25 -3.111 -8.436 9.071 159 HB2 ASP 25 HB2 ASP 25 -1.510 -10.120 8.035 160 HB3 ASP 25 HB3 ASP 25 -0.235 -9.420 9.028 161 H ASN 26 H ASN 26 -1.517 -5.747 8.853 162 HA ASN 26 HA ASN 26 -0.788 -4.100 10.115 163 HB2 ASN 26 HB2 ASN 26 -3.150 -4.496 10.930 164 HB3 ASN 26 HB3 ASN 26 -2.466 -5.308 12.338 165 HD21 ASN 26 HD21 ASN 26 -3.481 -3.671 13.697 166 HD22 ASN 26 HD22 ASN 26 -2.776 -2.057 13.787 167 H ARG 27 H ARG 27 0.954 -6.371 10.077 168 HA ARG 27 HA ARG 27 2.468 -6.165 12.642 169 HB2 ARG 27 HB2 ARG 27 2.470 -8.125 10.359 170 HB3 ARG 27 HB3 ARG 27 3.826 -8.041 11.507 171 HG2 ARG 27 HG2 ARG 27 2.550 -8.663 13.362 172 HG3 ARG 27 HG3 ARG 27 1.038 -8.083 12.661 173 HD2 ARG 27 HD2 ARG 27 0.900 -10.373 12.719 174 HD3 ARG 27 HD3 ARG 27 1.043 -9.897 11.023 175 HE ARG 27 HE ARG 27 3.618 -10.602 12.178 176 HH11 ARG 27 HH11 ARG 27 0.726 -12.068 10.763 177 HH12 ARG 27 HH12 ARG 27 1.596 -13.522 10.331 178 HH21 ARG 27 HH21 ARG 27 4.635 -12.479 11.564 179 HH22 ARG 27 HH22 ARG 27 3.742 -13.744 10.770 180 H LEU 28 H LEU 28 2.525 -4.978 9.389 181 HA LEU 28 HA LEU 28 5.182 -3.692 9.831 182 HB2 LEU 28 HB2 LEU 28 4.782 -5.666 8.077 183 HB3 LEU 28 HB3 LEU 28 4.075 -4.408 7.108 184 HG LEU 28 HG LEU 28 6.306 -4.852 6.400 185 HD11 LEU 28 HD11 LEU 28 6.541 -2.272 7.911 186 HD12 LEU 28 HD12 LEU 28 5.554 -2.450 6.461 187 HD13 LEU 28 HD13 LEU 28 7.313 -2.725 6.390 188 HD21 LEU 28 HD21 LEU 28 8.288 -4.553 7.792 189 HD22 LEU 28 HD22 LEU 28 7.214 -5.755 8.544 190 HD23 LEU 28 HD23 LEU 28 7.299 -4.096 9.187 191 H SER 29 H SER 29 5.328 -1.496 9.321 192 HA SER 29 HA SER 29 2.775 -0.014 9.160 193 HB2 SER 29 HB2 SER 29 5.595 0.964 9.676 194 HB3 SER 29 HB3 SER 29 4.113 1.931 9.795 195 HG SER 29 HG SER 29 4.751 1.124 11.841 196 H ILE 30 H ILE 30 2.521 1.837 7.777 197 HA ILE 30 HA ILE 30 2.931 1.409 4.996 198 HB ILE 30 HB ILE 30 2.545 4.082 6.437 199 HG12 ILE 30 HG12 ILE 30 0.787 2.624 7.229 200 HG13 ILE 30 HG13 ILE 30 0.154 3.848 6.159 201 HG21 ILE 30 HG21 ILE 30 1.432 4.783 4.336 202 HG22 ILE 30 HG22 ILE 30 3.150 4.421 4.128 203 HG23 ILE 30 HG23 ILE 30 1.923 3.259 3.585 204 HD11 ILE 30 HD11 ILE 30 -0.938 1.723 5.725 205 HD12 ILE 30 HD12 ILE 30 0.005 2.186 4.320 206 HD13 ILE 30 HD13 ILE 30 0.624 0.928 5.409 207 H GLU 31 H GLU 31 4.710 3.693 7.158 208 HA GLU 31 HA GLU 31 6.535 4.506 5.106 209 HB2 GLU 31 HB2 GLU 31 6.755 4.699 8.140 210 HB3 GLU 31 HB3 GLU 31 7.815 5.523 6.991 211 HG2 GLU 31 HG2 GLU 31 5.857 6.698 6.008 212 HG3 GLU 31 HG3 GLU 31 4.805 5.937 7.208 213 H GLN 32 H GLN 32 6.672 1.833 7.426 214 HA GLN 32 HA GLN 32 9.480 1.214 6.975 215 HB2 GLN 32 HB2 GLN 32 7.145 -0.199 8.305 216 HB3 GLN 32 HB3 GLN 32 8.723 -0.956 8.173 217 HG2 GLN 32 HG2 GLN 32 8.146 1.697 9.575 218 HG3 GLN 32 HG3 GLN 32 8.351 0.139 10.370 219 HE21 GLN 32 HE21 GLN 32 10.529 -0.988 10.063 220 HE22 GLN 32 HE22 GLN 32 11.934 0.060 9.919 221 H ALA 33 H ALA 33 6.363 0.075 5.545 222 HA ALA 33 HA ALA 33 7.651 -1.874 3.869 223 HB1 ALA 33 HB1 ALA 33 4.953 -0.471 3.755 224 HB2 ALA 33 HB2 ALA 33 5.445 -1.718 2.595 225 HB3 ALA 33 HB3 ALA 33 5.309 -2.138 4.306 226 H VAL 34 H VAL 34 7.033 1.609 3.497 227 HA VAL 34 HA VAL 34 7.788 1.733 0.693 228 HB VAL 34 HB VAL 34 7.537 3.856 2.856 229 HG11 VAL 34 HG11 VAL 34 8.132 4.223 -0.111 230 HG12 VAL 34 HG12 VAL 34 7.591 5.514 0.987 231 HG13 VAL 34 HG13 VAL 34 9.154 4.738 1.244 232 HG21 VAL 34 HG21 VAL 34 5.834 3.344 0.395 233 HG22 VAL 34 HG22 VAL 34 5.416 2.744 1.996 234 HG23 VAL 34 HG23 VAL 34 5.525 4.491 1.716 235 H THR 35 H THR 35 9.587 2.300 3.795 236 HA THR 35 HA THR 35 11.911 3.122 2.407 237 HB THR 35 HB THR 35 11.259 3.537 4.846 238 HG1 THR 35 HG1 THR 35 13.415 3.959 5.298 239 HG21 THR 35 HG21 THR 35 11.296 1.140 5.569 240 HG22 THR 35 HG22 THR 35 12.302 2.214 6.546 241 HG23 THR 35 HG23 THR 35 13.051 1.127 5.343 242 H LEU 36 H LEU 36 10.837 -0.111 3.176 243 HA LEU 36 HA LEU 36 13.393 -1.359 2.403 244 HB2 LEU 36 HB2 LEU 36 10.643 -2.549 2.936 245 HB3 LEU 36 HB3 LEU 36 12.127 -3.467 2.673 246 HG LEU 36 HG LEU 36 11.600 -1.580 5.015 247 HD11 LEU 36 HD11 LEU 36 11.772 -4.612 4.882 248 HD12 LEU 36 HD12 LEU 36 10.281 -3.656 5.062 249 HD13 LEU 36 HD13 LEU 36 11.502 -3.628 6.343 250 HD21 LEU 36 HD21 LEU 36 13.974 -1.575 4.553 251 HD22 LEU 36 HD22 LEU 36 13.998 -3.349 4.434 252 HD23 LEU 36 HD23 LEU 36 13.668 -2.554 5.989 253 H LEU 37 H LEU 37 10.354 -0.532 0.805 254 HA LEU 37 HA LEU 37 10.909 -2.171 -1.557 255 HB2 LEU 37 HB2 LEU 37 8.703 -1.938 -0.643 256 HB3 LEU 37 HB3 LEU 37 8.710 -0.185 -0.838 257 HG LEU 37 HG LEU 37 9.117 -1.874 -3.308 258 HD11 LEU 37 HD11 LEU 37 7.288 -3.005 -2.169 259 HD12 LEU 37 HD12 LEU 37 6.688 -2.111 -3.568 260 HD13 LEU 37 HD13 LEU 37 6.437 -1.452 -1.930 261 HD21 LEU 37 HD21 LEU 37 7.716 -0.082 -4.325 262 HD22 LEU 37 HD22 LEU 37 9.109 0.624 -3.506 263 HD23 LEU 37 HD23 LEU 37 7.515 0.667 -2.732 264 H THR 38 H THR 38 11.159 1.299 -0.749 265 HA THR 38 HA THR 38 11.542 2.274 -3.388 266 HB THR 38 HB THR 38 10.979 3.640 -1.426 267 HG1 THR 38 HG1 THR 38 12.127 5.399 -2.166 268 HG21 THR 38 HG21 THR 38 13.965 3.698 -0.846 269 HG22 THR 38 HG22 THR 38 12.809 2.739 0.095 270 HG23 THR 38 HG23 THR 38 12.654 4.506 0.053 271 HA PRO 39 HA PRO 39 15.567 0.625 -4.171 272 HB2 PRO 39 HB2 PRO 39 16.356 1.907 -6.429 273 HB3 PRO 39 HB3 PRO 39 14.985 0.756 -6.390 274 HG2 PRO 39 HG2 PRO 39 14.862 3.785 -6.203 275 HG3 PRO 39 HG3 PRO 39 13.921 2.703 -7.286 276 HD2 PRO 39 HD2 PRO 39 12.903 3.616 -4.931 277 HD3 PRO 39 HD3 PRO 39 12.560 1.955 -5.511 278 H ARG 40 H ARG 40 17.783 0.988 -4.063 279 HA ARG 40 HA ARG 40 18.838 3.015 -2.371 280 HB2 ARG 40 HB2 ARG 40 20.119 1.078 -4.334 281 HB3 ARG 40 HB3 ARG 40 21.082 2.177 -3.332 282 HG2 ARG 40 HG2 ARG 40 20.254 1.237 -1.292 283 HG3 ARG 40 HG3 ARG 40 19.007 0.294 -2.128 284 HD2 ARG 40 HD2 ARG 40 20.791 -1.035 -3.255 285 HD3 ARG 40 HD3 ARG 40 22.006 -0.146 -2.298 286 HE ARG 40 HE ARG 40 19.929 -1.319 -0.636 287 HH11 ARG 40 HH11 ARG 40 22.727 -2.364 -2.469 288 HH12 ARG 40 HH12 ARG 40 23.036 -3.702 -1.388 289 HH21 ARG 40 HH21 ARG 40 20.565 -2.840 0.837 290 HH22 ARG 40 HH22 ARG 40 21.765 -4.026 0.390 291 H ARG 41 H ARG 41 19.928 4.846 -2.670 292 HA ARG 41 HA ARG 41 20.166 6.979 -3.398 293 HB2 ARG 41 HB2 ARG 41 20.720 5.801 -6.145 294 HB3 ARG 41 HB3 ARG 41 21.160 7.403 -5.581 295 HG2 ARG 41 HG2 ARG 41 22.297 4.790 -4.495 296 HG3 ARG 41 HG3 ARG 41 23.078 5.909 -5.615 297 HD2 ARG 41 HD2 ARG 41 22.982 7.706 -3.860 298 HD3 ARG 41 HD3 ARG 41 22.297 6.526 -2.736 299 HE ARG 41 HE ARG 41 24.360 5.499 -2.481 300 HH11 ARG 41 HH11 ARG 41 24.678 7.803 -5.112 301 HH12 ARG 41 HH12 ARG 41 26.414 7.651 -5.146 302 HH21 ARG 41 HH21 ARG 41 26.556 5.370 -2.576 303 HH22 ARG 41 HH22 ARG 41 27.448 6.337 -3.718 304 H GLY 42 H GLY 42 17.447 5.562 -3.781 305 HA2 GLY 42 HA2 GLY 42 15.341 6.429 -4.007 306 HA3 GLY 42 HA3 GLY 42 16.012 7.960 -4.548 307 H GLY 43 H GLY 43 13.711 7.044 -5.631 308 HA2 GLY 43 HA2 GLY 43 14.110 5.722 -8.219 309 HA3 GLY 43 HA3 GLY 43 12.627 6.434 -7.605 310 H GLY 44 H GLY 44 12.833 6.949 -10.076 311 HA2 GLY 44 HA2 GLY 44 14.384 9.234 -10.921 312 HA3 GLY 44 HA3 GLY 44 12.969 8.561 -11.748 313 H SER 45 H SER 45 13.548 11.322 -11.599 314 HA SER 45 HA SER 45 11.940 12.615 -9.545 315 HB2 SER 45 HB2 SER 45 12.407 14.673 -10.875 316 HB3 SER 45 HB3 SER 45 13.845 13.769 -10.360 317 HG SER 45 HG SER 45 13.990 14.439 -12.558 318 H GLY 46 H GLY 46 10.088 13.909 -9.879 319 HA2 GLY 46 HA2 GLY 46 8.468 14.166 -12.142 320 HA3 GLY 46 HA3 GLY 46 7.989 12.652 -11.382 321 H GLY 47 H GLY 47 5.919 13.856 -11.272 322 HA2 GLY 47 HA2 GLY 47 5.402 14.722 -8.566 323 HA3 GLY 47 HA3 GLY 47 5.242 16.054 -9.702 324 H GLY 48 H GLY 48 3.210 14.683 -8.048 325 HA2 GLY 48 HA2 GLY 48 0.970 14.141 -8.231 326 HA3 GLY 48 HA3 GLY 48 1.062 14.362 -9.981 327 H SER 49 H SER 49 3.396 12.125 -8.946 328 HA SER 49 HA SER 49 2.200 9.937 -10.360 329 HB2 SER 49 HB2 SER 49 4.614 9.945 -8.511 330 HB3 SER 49 HB3 SER 49 4.235 8.731 -9.736 331 HG SER 49 HG SER 49 5.747 10.256 -10.518 332 H MET 50 H MET 50 1.896 7.749 -9.548 333 HA MET 50 HA MET 50 0.526 7.514 -6.949 334 HB2 MET 50 HB2 MET 50 1.248 5.429 -9.047 335 HB3 MET 50 HB3 MET 50 0.270 5.149 -7.587 336 HG2 MET 50 HG2 MET 50 -1.381 6.809 -8.375 337 HG3 MET 50 HG3 MET 50 -0.425 7.052 -9.836 338 HE1 MET 50 HE1 MET 50 -3.482 6.462 -9.983 339 HE2 MET 50 HE2 MET 50 -2.450 6.644 -11.414 340 HE3 MET 50 HE3 MET 50 -3.530 5.241 -11.288 341 H ASP 51 H ASP 51 2.096 8.074 -5.439 342 HA ASP 51 HA ASP 51 4.692 6.778 -5.315 343 HB2 ASP 51 HB2 ASP 51 4.194 9.081 -4.489 344 HB3 ASP 51 HB3 ASP 51 3.235 8.374 -3.187 345 H ALA 52 H ALA 52 5.451 5.321 -3.760 346 HA ALA 52 HA ALA 52 3.852 3.055 -3.232 347 HB1 ALA 52 HB1 ALA 52 6.311 2.992 -3.371 348 HB2 ALA 52 HB2 ALA 52 6.436 3.973 -1.888 349 HB3 ALA 52 HB3 ALA 52 5.761 2.339 -1.819 350 H LYS 53 H LYS 53 4.513 5.877 -1.119 351 HA LYS 53 HA LYS 53 3.339 4.821 1.287 352 HB2 LYS 53 HB2 LYS 53 4.835 6.877 0.946 353 HB3 LYS 53 HB3 LYS 53 3.401 7.754 0.421 354 HG2 LYS 53 HG2 LYS 53 3.786 6.407 3.138 355 HG3 LYS 53 HG3 LYS 53 4.062 8.118 2.808 356 HD2 LYS 53 HD2 LYS 53 1.673 8.450 2.275 357 HD3 LYS 53 HD3 LYS 53 1.366 6.729 2.603 358 HE2 LYS 53 HE2 LYS 53 2.209 6.996 4.899 359 HE3 LYS 53 HE3 LYS 53 2.378 8.742 4.619 360 HZ1 LYS 53 HZ1 LYS 53 -0.175 7.228 4.324 361 HZ2 LYS 53 HZ2 LYS 53 -0.004 8.854 4.214 362 HZ3 LYS 53 HZ3 LYS 53 0.215 8.112 5.652 363 H GLU 54 H GLU 54 1.899 6.901 -1.208 364 HA GLU 54 HA GLU 54 -0.766 6.899 -0.192 365 HB2 GLU 54 HB2 GLU 54 0.163 8.457 -1.916 366 HB3 GLU 54 HB3 GLU 54 0.243 7.129 -3.063 367 HG2 GLU 54 HG2 GLU 54 -1.670 8.466 -3.573 368 HG3 GLU 54 HG3 GLU 54 -2.214 6.895 -3.005 369 H ILE 55 H ILE 55 0.806 4.655 -2.496 370 HA ILE 55 HA ILE 55 -1.480 3.030 -3.043 371 HB ILE 55 HB ILE 55 1.497 2.434 -3.154 372 HG12 ILE 55 HG12 ILE 55 -0.407 2.812 -5.504 373 HG13 ILE 55 HG13 ILE 55 0.332 4.206 -4.728 374 HG21 ILE 55 HG21 ILE 55 0.459 0.288 -2.942 375 HG22 ILE 55 HG22 ILE 55 -0.884 0.754 -4.015 376 HG23 ILE 55 HG23 ILE 55 0.730 0.500 -4.672 377 HD11 ILE 55 HD11 ILE 55 1.932 1.909 -5.928 378 HD12 ILE 55 HD12 ILE 55 1.619 3.479 -6.694 379 HD13 ILE 55 HD13 ILE 55 2.580 3.394 -5.217 380 H LEU 56 H LEU 56 1.114 2.572 -0.557 381 HA LEU 56 HA LEU 56 -0.109 0.247 0.609 382 HB2 LEU 56 HB2 LEU 56 2.030 2.203 1.458 383 HB3 LEU 56 HB3 LEU 56 1.279 1.215 2.693 384 HG LEU 56 HG LEU 56 3.243 0.142 2.169 385 HD11 LEU 56 HD11 LEU 56 1.212 -1.442 0.574 386 HD12 LEU 56 HD12 LEU 56 1.222 -1.320 2.353 387 HD13 LEU 56 HD13 LEU 56 2.607 -2.029 1.489 388 HD21 LEU 56 HD21 LEU 56 2.503 0.299 -0.757 389 HD22 LEU 56 HD22 LEU 56 3.872 -0.640 -0.097 390 HD23 LEU 56 HD23 LEU 56 3.845 1.115 0.091 391 H THR 57 H THR 57 -0.504 3.732 1.418 392 HA THR 57 HA THR 57 -2.191 3.312 3.687 393 HB THR 57 HB THR 57 -1.987 5.638 1.741 394 HG1 THR 57 HG1 THR 57 -1.143 5.105 4.395 395 HG21 THR 57 HG21 THR 57 -3.574 5.480 4.336 396 HG22 THR 57 HG22 THR 57 -4.219 5.825 2.718 397 HG23 THR 57 HG23 THR 57 -3.136 6.982 3.499 398 H ARG 58 H ARG 58 -3.129 3.661 0.203 399 HA ARG 58 HA ARG 58 -5.952 3.259 0.709 400 HB2 ARG 58 HB2 ARG 58 -4.296 2.801 -1.813 401 HB3 ARG 58 HB3 ARG 58 -6.066 2.738 -1.724 402 HG2 ARG 58 HG2 ARG 58 -6.193 5.074 -1.034 403 HG3 ARG 58 HG3 ARG 58 -4.427 5.208 -1.065 404 HD2 ARG 58 HD2 ARG 58 -4.477 4.548 -3.503 405 HD3 ARG 58 HD3 ARG 58 -6.254 4.618 -3.424 406 HE ARG 58 HE ARG 58 -4.781 7.026 -2.501 407 HH11 ARG 58 HH11 ARG 58 -6.471 5.668 -5.279 408 HH12 ARG 58 HH12 ARG 58 -6.650 7.244 -6.006 409 HH21 ARG 58 HH21 ARG 58 -4.978 8.843 -3.429 410 HH22 ARG 58 HH22 ARG 58 -5.833 9.062 -4.966 411 H PHE 59 H PHE 59 -3.344 0.928 -0.090 412 HA PHE 59 HA PHE 59 -5.014 -1.388 -0.196 413 HB2 PHE 59 HB2 PHE 59 -2.754 -1.354 -1.084 414 HB3 PHE 59 HB3 PHE 59 -2.089 -1.011 0.507 415 HD1 PHE 59 HD2 PHE 59 -4.413 -3.554 -1.022 416 HD2 PHE 59 HD1 PHE 59 -1.116 -2.792 1.658 417 HE1 PHE 59 HE2 PHE 59 -4.357 -5.949 -0.403 418 HE2 PHE 59 HE1 PHE 59 -1.010 -5.208 2.198 419 HZ PHE 59 HZ PHE 59 -2.631 -6.793 1.174 420 H LYS 60 H LYS 60 -3.247 0.035 2.613 421 HA LYS 60 HA LYS 60 -4.178 -2.009 4.381 422 HB2 LYS 60 HB2 LYS 60 -2.106 -0.561 4.640 423 HB3 LYS 60 HB3 LYS 60 -3.172 0.728 5.226 424 HG2 LYS 60 HG2 LYS 60 -3.972 -0.792 7.053 425 HG3 LYS 60 HG3 LYS 60 -2.947 -2.085 6.406 426 HD2 LYS 60 HD2 LYS 60 -0.939 -0.614 6.815 427 HD3 LYS 60 HD3 LYS 60 -2.020 0.564 7.597 428 HE2 LYS 60 HE2 LYS 60 -2.687 -1.087 9.278 429 HE3 LYS 60 HE3 LYS 60 -1.793 -2.364 8.448 430 HZ1 LYS 60 HZ1 LYS 60 -0.496 0.031 9.623 431 HZ2 LYS 60 HZ2 LYS 60 0.269 -1.298 9.013 432 HZ3 LYS 60 HZ3 LYS 60 -0.624 -1.411 10.375 433 H ASP 61 H ASP 61 -5.481 1.201 3.631 434 HA ASP 61 HA ASP 61 -7.697 1.098 5.490 435 HB2 ASP 61 HB2 ASP 61 -6.787 3.156 4.414 436 HB3 ASP 61 HB3 ASP 61 -7.373 2.591 2.854 437 H GLY 62 H GLY 62 -7.149 -0.672 2.568 438 HA2 GLY 62 HA2 GLY 62 -8.435 -2.377 1.665 439 HA3 GLY 62 HA3 GLY 62 -9.806 -1.913 2.674 440 H GLY 63 H GLY 63 -8.499 0.748 0.947 441 HA2 GLY 63 HA2 GLY 63 -10.773 0.912 -0.919 442 HA3 GLY 63 HA3 GLY 63 -9.488 2.098 -0.674 443 H LEU 64 H LEU 64 -7.723 -0.586 -1.021 444 HA LEU 64 HA LEU 64 -7.710 -0.738 -3.992 445 HB2 LEU 64 HB2 LEU 64 -5.971 0.870 -2.921 446 HB3 LEU 64 HB3 LEU 64 -5.243 -0.566 -2.227 447 HG LEU 64 HG LEU 64 -4.954 -1.442 -4.601 448 HD11 LEU 64 HD11 LEU 64 -6.579 0.032 -5.749 449 HD12 LEU 64 HD12 LEU 64 -4.946 0.315 -6.382 450 HD13 LEU 64 HD13 LEU 64 -5.655 1.458 -5.226 451 HD21 LEU 64 HD21 LEU 64 -3.583 1.179 -3.862 452 HD22 LEU 64 HD22 LEU 64 -2.988 -0.020 -5.028 453 HD23 LEU 64 HD23 LEU 64 -3.102 -0.442 -3.316 454 H ASP 65 H ASP 65 -7.303 -2.775 -4.808 455 HA ASP 65 HA ASP 65 -7.324 -5.051 -2.961 456 HB2 ASP 65 HB2 ASP 65 -7.120 -5.097 -5.975 457 HB3 ASP 65 HB3 ASP 65 -7.579 -6.432 -4.919 458 H ARG 66 H ARG 66 -5.721 -6.815 -3.022 459 HA ARG 66 HA ARG 66 -3.051 -5.795 -2.851 460 HB2 ARG 66 HB2 ARG 66 -4.148 -7.817 -1.640 461 HB3 ARG 66 HB3 ARG 66 -3.695 -8.760 -3.067 462 HG2 ARG 66 HG2 ARG 66 -1.322 -8.222 -2.723 463 HG3 ARG 66 HG3 ARG 66 -1.736 -7.031 -1.483 464 HD2 ARG 66 HD2 ARG 66 -0.966 -8.853 -0.268 465 HD3 ARG 66 HD3 ARG 66 -2.710 -8.940 -0.086 466 HE ARG 66 HE ARG 66 -0.899 -10.772 -1.567 467 HH11 ARG 66 HH21 ARG 66 -4.297 -10.197 -0.796 468 HH12 ARG 66 HH22 ARG 66 -4.702 -11.844 -1.215 469 HH21 ARG 66 HH11 ARG 66 -1.441 -12.688 -1.975 470 HH22 ARG 66 HH12 ARG 66 -3.116 -13.260 -1.887 471 H ALA 67 H ALA 67 -4.686 -7.501 -5.476 472 HA ALA 67 HA ALA 67 -2.414 -7.876 -7.184 473 HB1 ALA 67 HB1 ALA 67 -5.366 -7.490 -7.822 474 HB2 ALA 67 HB2 ALA 67 -4.126 -8.114 -8.934 475 HB3 ALA 67 HB3 ALA 67 -4.557 -9.036 -7.474 476 H ALA 68 H ALA 68 -4.657 -5.108 -6.749 477 HA ALA 68 HA ALA 68 -3.469 -3.507 -8.860 478 HB1 ALA 68 HB1 ALA 68 -4.873 -1.719 -7.915 479 HB2 ALA 68 HB2 ALA 68 -5.813 -3.207 -8.153 480 HB3 ALA 68 HB3 ALA 68 -5.266 -2.747 -6.523 481 H ALA 69 H ALA 69 -3.014 -3.713 -5.294 482 HA ALA 69 HA ALA 69 -1.107 -1.615 -5.079 483 HB1 ALA 69 HB1 ALA 69 -0.482 -2.693 -2.965 484 HB2 ALA 69 HB2 ALA 69 -2.247 -2.738 -3.158 485 HB3 ALA 69 HB3 ALA 69 -1.277 -4.190 -3.446 486 H GLN 70 H GLN 70 -0.542 -5.143 -5.715 487 HA GLN 70 HA GLN 70 2.273 -5.021 -6.048 488 HB2 GLN 70 HB2 GLN 70 0.168 -6.782 -7.374 489 HB3 GLN 70 HB3 GLN 70 1.910 -7.016 -7.573 490 HG2 GLN 70 HG2 GLN 70 2.229 -7.484 -5.244 491 HG3 GLN 70 HG3 GLN 70 0.592 -6.985 -4.837 492 HE21 GLN 70 HE21 GLN 70 0.850 -9.240 -3.772 493 HE22 GLN 70 HE22 GLN 70 0.324 -10.590 -4.753 494 H ALA 71 H ALA 71 -0.302 -4.541 -8.539 495 HA ALA 71 HA ALA 71 1.377 -4.160 -10.771 496 HB1 ALA 71 HB1 ALA 71 -0.637 -3.215 -11.795 497 HB2 ALA 71 HB2 ALA 71 -1.102 -4.576 -10.766 498 HB3 ALA 71 HB3 ALA 71 -1.356 -2.917 -10.201 499 H LEU 72 H LEU 72 -0.112 -1.644 -8.681 500 HA LEU 72 HA LEU 72 1.138 0.599 -9.943 501 HB2 LEU 72 HB2 LEU 72 -0.308 0.080 -7.329 502 HB3 LEU 72 HB3 LEU 72 0.389 1.645 -7.665 503 HG LEU 72 HG LEU 72 -1.047 2.213 -9.300 504 HD11 LEU 72 HD11 LEU 72 -2.627 0.824 -10.527 505 HD12 LEU 72 HD12 LEU 72 -1.972 -0.631 -9.749 506 HD13 LEU 72 HD13 LEU 72 -0.951 0.341 -10.840 507 HD21 LEU 72 HD21 LEU 72 -2.723 0.325 -7.622 508 HD22 LEU 72 HD22 LEU 72 -3.319 1.762 -8.471 509 HD23 LEU 72 HD23 LEU 72 -2.205 1.957 -7.096 510 H LEU 73 H LEU 73 2.229 -1.379 -7.157 511 HA LEU 73 HA LEU 73 4.530 0.300 -6.612 512 HB2 LEU 73 HB2 LEU 73 3.828 -2.575 -5.914 513 HB3 LEU 73 HB3 LEU 73 5.297 -1.788 -5.365 514 HG LEU 73 HG LEU 73 2.515 -0.732 -4.748 515 HD11 LEU 73 HD11 LEU 73 4.343 -2.387 -2.974 516 HD12 LEU 73 HD12 LEU 73 2.821 -2.934 -3.698 517 HD13 LEU 73 HD13 LEU 73 2.809 -1.643 -2.491 518 HD21 LEU 73 HD21 LEU 73 3.647 0.553 -2.975 519 HD22 LEU 73 HD22 LEU 73 4.214 1.017 -4.577 520 HD23 LEU 73 HD23 LEU 73 5.215 -0.032 -3.554 521 H ALA 74 H ALA 74 4.031 -2.544 -8.714 522 HA ALA 74 HA ALA 74 6.783 -2.724 -9.559 523 HB1 ALA 74 HB1 ALA 74 4.243 -3.707 -10.918 524 HB2 ALA 74 HB2 ALA 74 5.902 -4.229 -11.272 525 HB3 ALA 74 HB3 ALA 74 5.182 -4.588 -9.694 526 H GLY 75 H GLY 75 4.054 -0.775 -10.652 527 HA2 GLY 75 HA2 GLY 75 4.840 1.483 -11.224 528 HA3 GLY 75 HA3 GLY 75 5.937 0.787 -12.407 529 H ARG 76 H ARG 76 2.737 -0.648 -12.448 530 HA ARG 76 HA ARG 76 1.622 1.301 -14.341 531 HB2 ARG 76 HB2 ARG 76 1.357 -0.097 -16.208 532 HB3 ARG 76 HB3 ARG 76 3.063 0.001 -15.833 533 HG2 ARG 76 HG2 ARG 76 1.218 -2.310 -15.091 534 HG3 ARG 76 HG3 ARG 76 2.208 -2.251 -16.548 535 HD2 ARG 76 HD2 ARG 76 3.180 -2.446 -13.673 536 HD3 ARG 76 HD3 ARG 76 3.281 -3.675 -14.934 537 HE ARG 76 HE ARG 76 4.624 -1.269 -15.780 538 HH11 ARG 76 HH11 ARG 76 5.161 -4.076 -13.755 539 HH12 ARG 76 HH12 ARG 76 6.909 -3.851 -13.784 540 HH21 ARG 76 HH21 ARG 76 6.855 -1.079 -15.771 541 HH22 ARG 76 HH22 ARG 76 7.813 -2.233 -14.870 542 H THR 77 H THR 77 -0.580 0.795 -15.086 543 HA THR 77 HA THR 77 -2.208 0.044 -12.842 544 HB THR 77 HB THR 77 -4.118 0.244 -14.515 545 HG1 THR 77 HG1 THR 77 -3.598 1.207 -16.470 546 HG21 THR 77 HG21 THR 77 -3.923 2.693 -14.629 547 HG22 THR 77 HG22 THR 77 -2.187 2.596 -14.258 548 HG23 THR 77 HG23 THR 77 -3.390 2.091 -13.048 549 HA PRO 78 HA PRO 78 -2.663 -4.304 -13.417 550 HB2 PRO 78 HB2 PRO 78 -5.057 -4.842 -12.223 551 HB3 PRO 78 HB3 PRO 78 -3.592 -4.341 -11.317 552 HG2 PRO 78 HG2 PRO 78 -5.896 -2.592 -12.258 553 HG3 PRO 78 HG3 PRO 78 -5.166 -2.667 -10.625 554 HD2 PRO 78 HD2 PRO 78 -4.441 -0.765 -12.408 555 HD3 PRO 78 HD3 PRO 78 -3.230 -1.531 -11.342 556 H ALA 79 H ALA 79 -3.620 -5.895 -14.641 557 HA ALA 79 HA ALA 79 -6.074 -5.427 -16.186 558 HB1 ALA 79 HB1 ALA 79 -3.393 -6.026 -17.535 559 HB2 ALA 79 HB2 ALA 79 -4.984 -5.988 -18.342 560 HB3 ALA 79 HB3 ALA 79 -4.304 -4.504 -17.659 561 H ALA 80 H ALA 80 -7.019 -7.370 -16.982 562 HA ALA 80 HA ALA 80 -6.463 -9.677 -15.295 563 HB1 ALA 80 HB1 ALA 80 -8.496 -10.593 -16.316 564 HB2 ALA 80 HB2 ALA 80 -8.758 -8.936 -15.771 565 HB3 ALA 80 HB3 ALA 80 -8.527 -9.278 -17.500 566 H ALA 81 H ALA 81 -5.344 -11.467 -15.752 567 HA ALA 81 HA ALA 81 -4.947 -12.429 -18.524 568 HB1 ALA 81 HB1 ALA 81 -2.624 -11.749 -16.663 569 HB2 ALA 81 HB2 ALA 81 -2.507 -12.575 -18.243 570 HB3 ALA 81 HB3 ALA 81 -3.053 -10.895 -18.163 571 HA PRO 82 HA PRO 82 -5.588 -15.763 -15.305 572 HB2 PRO 82 HB2 PRO 82 -8.004 -16.762 -15.989 573 HB3 PRO 82 HB3 PRO 82 -7.846 -15.196 -15.142 574 HG2 PRO 82 HG2 PRO 82 -8.124 -15.632 -18.135 575 HG3 PRO 82 HG3 PRO 82 -9.115 -14.571 -17.082 576 HD2 PRO 82 HD2 PRO 82 -6.986 -13.617 -18.495 577 HD3 PRO 82 HD3 PRO 82 -7.406 -13.001 -16.867 578 H ARG 83 H ARG 83 -3.699 -16.051 -17.087 579 HA ARG 83 HA ARG 83 -4.188 -17.936 -19.235 580 HB2 ARG 83 HB2 ARG 83 -1.622 -16.833 -18.007 581 HB3 ARG 83 HB3 ARG 83 -1.670 -17.872 -19.435 582 HG2 ARG 83 HG2 ARG 83 -3.058 -16.230 -20.643 583 HG3 ARG 83 HG3 ARG 83 -3.063 -15.161 -19.230 584 HD2 ARG 83 HD2 ARG 83 -0.610 -14.963 -19.330 585 HD3 ARG 83 HD3 ARG 83 -0.581 -16.034 -20.754 586 HE ARG 83 HE ARG 83 -2.360 -13.926 -21.370 587 HH11 ARG 83 HH11 ARG 83 1.077 -14.208 -20.730 588 HH12 ARG 83 HH12 ARG 83 1.466 -12.812 -21.706 589 HH21 ARG 83 HH21 ARG 83 -1.790 -12.177 -22.611 590 HH22 ARG 83 HH22 ARG 83 -0.118 -11.704 -22.751 591 HA PRO 84 HA PRO 84 -3.690 -21.781 -17.077 592 HB2 PRO 84 HB2 PRO 84 -2.780 -23.454 -19.038 593 HB3 PRO 84 HB3 PRO 84 -4.445 -22.802 -18.987 594 HG2 PRO 84 HG2 PRO 84 -2.087 -21.746 -20.582 595 HG3 PRO 84 HG3 PRO 84 -3.754 -22.077 -21.147 596 HD2 PRO 84 HD2 PRO 84 -2.950 -19.576 -20.434 597 HD3 PRO 84 HD3 PRO 84 -4.602 -20.164 -20.063 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 32.546 -0.511 -16.577 2 H2 GLY 1 H2 GLY 1 33.832 -0.577 -17.601 3 H3 GLY 1 H3 GLY 1 33.925 0.295 -16.223 4 HA2 GLY 1 HA2 GLY 1 33.661 -2.631 -16.414 5 HA3 GLY 1 HA3 GLY 1 35.137 -1.775 -15.973 6 HA PRO 2 HA PRO 2 33.462 -2.573 -11.860 7 HB2 PRO 2 HB2 PRO 2 35.514 -1.580 -10.336 8 HB3 PRO 2 HB3 PRO 2 35.655 -3.102 -11.281 9 HG2 PRO 2 HG2 PRO 2 36.549 -0.313 -12.105 10 HG3 PRO 2 HG3 PRO 2 37.495 -1.837 -12.140 11 HD2 PRO 2 HD2 PRO 2 36.246 -0.890 -14.342 12 HD3 PRO 2 HD3 PRO 2 36.307 -2.647 -14.000 13 H GLY 3 H GLY 3 32.782 -1.364 -9.934 14 HA2 GLY 3 HA2 GLY 3 32.890 1.541 -9.862 15 HA3 GLY 3 HA3 GLY 3 31.286 0.940 -10.283 16 H SER 4 H SER 4 31.880 2.448 -7.953 17 HA SER 4 HA SER 4 32.419 0.773 -5.685 18 HB2 SER 4 HB2 SER 4 31.280 3.582 -5.772 19 HB3 SER 4 HB3 SER 4 32.032 2.787 -4.374 20 HG SER 4 HG SER 4 33.501 4.183 -5.524 21 H TYR 5 H TYR 5 29.391 1.577 -7.218 22 HA TYR 5 HA TYR 5 27.891 -0.065 -5.303 23 HB2 TYR 5 HB2 TYR 5 27.871 2.215 -4.313 24 HB3 TYR 5 HB3 TYR 5 27.163 2.851 -5.796 25 HD1 TYR 5 HD2 TYR 5 26.562 0.355 -3.042 26 HD2 TYR 5 HD1 TYR 5 24.801 2.922 -6.046 27 HE1 TYR 5 HE2 TYR 5 24.300 -0.133 -2.133 28 HE2 TYR 5 HE1 TYR 5 22.536 2.393 -5.154 29 HH TYR 5 HH TYR 5 22.057 0.254 -2.305 30 H THR 6 H THR 6 25.870 -0.759 -6.089 31 HA THR 6 HA THR 6 25.128 -0.102 -8.923 32 HB THR 6 HB THR 6 24.533 -2.501 -9.260 33 HG1 THR 6 HG1 THR 6 25.547 -4.010 -7.901 34 HG21 THR 6 HG21 THR 6 26.644 -1.558 -10.187 35 HG22 THR 6 HG22 THR 6 26.777 -3.282 -9.774 36 HG23 THR 6 HG23 THR 6 27.490 -2.059 -8.707 37 H GLY 7 H GLY 7 24.008 -1.729 -5.937 38 HA2 GLY 7 HA2 GLY 7 22.038 -1.444 -4.735 39 HA3 GLY 7 HA3 GLY 7 21.489 -0.237 -5.896 40 H ALA 8 H ALA 8 19.563 -1.700 -5.073 41 HA ALA 8 HA ALA 8 19.219 -4.275 -6.350 42 HB1 ALA 8 HB1 ALA 8 17.254 -2.515 -4.830 43 HB2 ALA 8 HB2 ALA 8 17.028 -4.222 -5.223 44 HB3 ALA 8 HB3 ALA 8 18.325 -3.747 -4.106 45 H GLY 9 H GLY 9 17.444 -4.901 -7.706 46 HA2 GLY 9 HA2 GLY 9 16.704 -3.002 -9.873 47 HA3 GLY 9 HA3 GLY 9 16.441 -4.753 -9.832 48 H GLU 10 H GLU 10 14.282 -4.156 -10.619 49 HA GLU 10 HA GLU 10 12.357 -2.919 -8.862 50 HB2 GLU 10 HB2 GLU 10 10.666 -3.815 -10.399 51 HB3 GLU 10 HB3 GLU 10 11.927 -2.867 -11.199 52 HG2 GLU 10 HG2 GLU 10 12.961 -4.890 -12.073 53 HG3 GLU 10 HG3 GLU 10 11.951 -5.913 -11.055 54 HA PRO 11 HA PRO 11 11.474 -6.396 -6.226 55 HB2 PRO 11 HB2 PRO 11 8.984 -5.841 -5.285 56 HB3 PRO 11 HB3 PRO 11 10.410 -4.862 -4.853 57 HG2 PRO 11 HG2 PRO 11 8.349 -4.285 -7.006 58 HG3 PRO 11 HG3 PRO 11 8.973 -3.170 -5.748 59 HD2 PRO 11 HD2 PRO 11 9.975 -3.198 -8.281 60 HD3 PRO 11 HD3 PRO 11 11.017 -2.894 -6.876 61 H SER 12 H SER 12 10.630 -8.458 -6.366 62 HA SER 12 HA SER 12 9.036 -9.245 -8.715 63 HB2 SER 12 HB2 SER 12 10.895 -10.650 -7.900 64 HB3 SER 12 HB3 SER 12 10.035 -10.884 -6.358 65 HG SER 12 HG SER 12 9.755 -12.557 -8.031 66 H GLN 13 H GLN 13 6.980 -10.216 -8.648 67 HA GLN 13 HA GLN 13 5.020 -9.355 -6.757 68 HB2 GLN 13 HB2 GLN 13 3.568 -11.005 -7.745 69 HB3 GLN 13 HB3 GLN 13 4.412 -10.063 -8.974 70 HG2 GLN 13 HG2 GLN 13 6.015 -11.991 -9.268 71 HG3 GLN 13 HG3 GLN 13 5.077 -12.915 -8.104 72 HE21 GLN 13 HE21 GLN 13 2.719 -13.359 -8.699 73 HE22 GLN 13 HE22 GLN 13 2.348 -13.494 -10.410 74 H ALA 14 H ALA 14 7.317 -12.030 -6.672 75 HA ALA 14 HA ALA 14 6.039 -13.471 -4.497 76 HB1 ALA 14 HB1 ALA 14 7.516 -14.561 -6.145 77 HB2 ALA 14 HB2 ALA 14 8.886 -13.558 -5.602 78 HB3 ALA 14 HB3 ALA 14 8.148 -14.751 -4.501 79 H ASP 15 H ASP 15 8.222 -10.724 -4.647 80 HA ASP 15 HA ASP 15 8.840 -10.791 -1.763 81 HB2 ASP 15 HB2 ASP 15 9.446 -8.578 -3.732 82 HB3 ASP 15 HB3 ASP 15 10.147 -8.820 -2.137 83 H LEU 16 H LEU 16 6.919 -8.966 -4.038 84 HA LEU 16 HA LEU 16 5.854 -7.050 -2.236 85 HB2 LEU 16 HB2 LEU 16 4.766 -8.211 -4.830 86 HB3 LEU 16 HB3 LEU 16 3.988 -6.877 -3.976 87 HG LEU 16 HG LEU 16 6.874 -6.711 -4.883 88 HD11 LEU 16 HD11 LEU 16 5.517 -7.113 -6.887 89 HD12 LEU 16 HD12 LEU 16 6.061 -5.435 -6.839 90 HD13 LEU 16 HD13 LEU 16 4.385 -5.834 -6.406 91 HD21 LEU 16 HD21 LEU 16 6.143 -5.060 -3.203 92 HD22 LEU 16 HD22 LEU 16 4.768 -4.600 -4.230 93 HD23 LEU 16 HD23 LEU 16 6.441 -4.284 -4.762 94 H ASP 17 H ASP 17 4.427 -10.203 -3.281 95 HA ASP 17 HA ASP 17 2.037 -9.953 -1.795 96 HB2 ASP 17 HB2 ASP 17 2.545 -11.604 -3.605 97 HB3 ASP 17 HB3 ASP 17 3.629 -12.464 -2.523 98 H ALA 18 H ALA 18 5.204 -11.163 -0.763 99 HA ALA 18 HA ALA 18 4.371 -12.092 1.855 100 HB1 ALA 18 HB1 ALA 18 6.372 -12.942 0.699 101 HB2 ALA 18 HB2 ALA 18 7.108 -11.334 0.737 102 HB3 ALA 18 HB3 ALA 18 6.815 -12.210 2.257 103 H LEU 19 H LEU 19 5.927 -9.090 0.693 104 HA LEU 19 HA LEU 19 6.136 -7.765 3.212 105 HB2 LEU 19 HB2 LEU 19 7.490 -7.331 1.269 106 HB3 LEU 19 HB3 LEU 19 6.116 -6.778 0.329 107 HG LEU 19 HG LEU 19 6.787 -5.318 2.900 108 HD11 LEU 19 HD11 LEU 19 8.955 -5.545 1.749 109 HD12 LEU 19 HD12 LEU 19 8.369 -3.885 1.669 110 HD13 LEU 19 HD13 LEU 19 8.228 -4.945 0.239 111 HD21 LEU 19 HD21 LEU 19 4.795 -4.585 1.656 112 HD22 LEU 19 HD22 LEU 19 5.759 -4.467 0.164 113 HD23 LEU 19 HD23 LEU 19 6.083 -3.378 1.505 114 H LEU 20 H LEU 20 3.588 -7.689 0.717 115 HA LEU 20 HA LEU 20 1.880 -5.732 1.945 116 HB2 LEU 20 HB2 LEU 20 1.433 -7.960 -0.021 117 HB3 LEU 20 HB3 LEU 20 0.167 -6.817 0.393 118 HG LEU 20 HG LEU 20 2.831 -5.845 -0.725 119 HD11 LEU 20 HD11 LEU 20 1.818 -5.709 -2.916 120 HD12 LEU 20 HD12 LEU 20 0.291 -6.408 -2.302 121 HD13 LEU 20 HD13 LEU 20 1.785 -7.386 -2.360 122 HD21 LEU 20 HD21 LEU 20 0.060 -4.616 -0.675 123 HD22 LEU 20 HD22 LEU 20 1.531 -3.874 -1.334 124 HD23 LEU 20 HD23 LEU 20 1.408 -4.173 0.407 125 H SER 21 H SER 21 1.906 -9.363 2.204 126 HA SER 21 HA SER 21 -0.421 -9.504 3.872 127 HB2 SER 21 HB2 SER 21 1.976 -11.340 3.627 128 HB3 SER 21 HB3 SER 21 0.568 -11.673 4.664 129 HG SER 21 HG SER 21 0.257 -12.616 2.644 130 H ALA 22 H ALA 22 2.960 -8.733 4.707 131 HA ALA 22 HA ALA 22 2.567 -9.033 7.549 132 HB1 ALA 22 HB1 ALA 22 4.762 -9.183 6.379 133 HB2 ALA 22 HB2 ALA 22 4.681 -7.435 6.027 134 HB3 ALA 22 HB3 ALA 22 4.763 -8.019 7.713 135 H VAL 23 H VAL 23 2.083 -6.305 5.281 136 HA VAL 23 HA VAL 23 1.476 -4.472 7.536 137 HB VAL 23 HB VAL 23 2.695 -3.539 5.748 138 HG11 VAL 23 HG11 VAL 23 1.892 -3.248 3.509 139 HG12 VAL 23 HG12 VAL 23 2.025 -4.937 3.919 140 HG13 VAL 23 HG13 VAL 23 0.415 -4.178 3.873 141 HG21 VAL 23 HG21 VAL 23 0.976 -2.088 6.885 142 HG22 VAL 23 HG22 VAL 23 1.431 -1.554 5.263 143 HG23 VAL 23 HG23 VAL 23 -0.110 -2.400 5.524 144 H ARG 24 H ARG 24 -0.348 -6.361 5.146 145 HA ARG 24 HA ARG 24 -2.943 -5.391 5.827 146 HB2 ARG 24 HB2 ARG 24 -2.390 -6.802 3.851 147 HB3 ARG 24 HB3 ARG 24 -2.043 -8.159 4.907 148 HG2 ARG 24 HG2 ARG 24 -4.183 -8.458 3.855 149 HG3 ARG 24 HG3 ARG 24 -4.440 -8.268 5.576 150 HD2 ARG 24 HD2 ARG 24 -4.743 -6.010 3.558 151 HD3 ARG 24 HD3 ARG 24 -6.073 -7.084 4.033 152 HE ARG 24 HE ARG 24 -5.161 -6.163 6.448 153 HH11 ARG 24 HH11 ARG 24 -6.207 -4.401 3.574 154 HH12 ARG 24 HH12 ARG 24 -6.570 -2.979 4.525 155 HH21 ARG 24 HH21 ARG 24 -5.692 -4.296 7.526 156 HH22 ARG 24 HH22 ARG 24 -6.269 -2.907 6.624 157 H ASP 25 H ASP 25 -0.918 -7.819 7.411 158 HA ASP 25 HA ASP 25 -2.920 -8.338 9.489 159 HB2 ASP 25 HB2 ASP 25 -0.124 -9.415 9.152 160 HB3 ASP 25 HB3 ASP 25 -1.297 -9.960 10.335 161 H ASN 26 H ASN 26 -1.229 -5.684 9.125 162 HA ASN 26 HA ASN 26 -0.504 -4.023 10.403 163 HB2 ASN 26 HB2 ASN 26 -2.790 -4.567 11.392 164 HB3 ASN 26 HB3 ASN 26 -1.937 -5.329 12.738 165 HD21 ASN 26 HD21 ASN 26 -1.572 -3.938 14.474 166 HD22 ASN 26 HD22 ASN 26 -1.552 -2.186 14.326 167 H ARG 27 H ARG 27 1.294 -6.366 10.212 168 HA ARG 27 HA ARG 27 2.959 -6.122 12.686 169 HB2 ARG 27 HB2 ARG 27 3.505 -7.923 10.318 170 HB3 ARG 27 HB3 ARG 27 4.118 -8.047 11.956 171 HG2 ARG 27 HG2 ARG 27 1.292 -8.607 11.020 172 HG3 ARG 27 HG3 ARG 27 2.471 -9.800 11.537 173 HD2 ARG 27 HD2 ARG 27 2.365 -9.052 13.835 174 HD3 ARG 27 HD3 ARG 27 1.438 -7.621 13.398 175 HE ARG 27 HE ARG 27 -0.477 -8.888 12.895 176 HH11 ARG 27 HH11 ARG 27 1.973 -10.946 14.350 177 HH12 ARG 27 HH12 ARG 27 0.809 -12.169 14.785 178 HH21 ARG 27 HH21 ARG 27 -1.883 -10.468 13.490 179 HH22 ARG 27 HH22 ARG 27 -1.323 -11.906 14.300 180 H LEU 28 H LEU 28 2.880 -5.070 9.379 181 HA LEU 28 HA LEU 28 5.576 -3.794 9.660 182 HB2 LEU 28 HB2 LEU 28 5.069 -5.766 8.004 183 HB3 LEU 28 HB3 LEU 28 4.214 -4.570 7.064 184 HG LEU 28 HG LEU 28 6.352 -4.912 6.116 185 HD11 LEU 28 HD11 LEU 28 5.570 -2.565 6.230 186 HD12 LEU 28 HD12 LEU 28 7.319 -2.795 6.029 187 HD13 LEU 28 HD13 LEU 28 6.671 -2.354 7.616 188 HD21 LEU 28 HD21 LEU 28 7.615 -4.208 8.812 189 HD22 LEU 28 HD22 LEU 28 8.474 -4.601 7.307 190 HD23 LEU 28 HD23 LEU 28 7.517 -5.848 8.132 191 H SER 29 H SER 29 5.658 -1.587 9.311 192 HA SER 29 HA SER 29 3.090 -0.109 9.147 193 HB2 SER 29 HB2 SER 29 5.897 0.923 9.627 194 HB3 SER 29 HB3 SER 29 4.398 1.870 9.725 195 HG SER 29 HG SER 29 5.032 1.136 11.782 196 H ILE 30 H ILE 30 2.767 1.755 7.774 197 HA ILE 30 HA ILE 30 3.117 1.342 4.980 198 HB ILE 30 HB ILE 30 2.804 3.993 6.454 199 HG12 ILE 30 HG12 ILE 30 1.018 2.495 7.216 200 HG13 ILE 30 HG13 ILE 30 0.425 3.845 6.274 201 HG21 ILE 30 HG21 ILE 30 2.167 3.212 3.587 202 HG22 ILE 30 HG22 ILE 30 1.645 4.714 4.358 203 HG23 ILE 30 HG23 ILE 30 3.363 4.383 4.149 204 HD11 ILE 30 HD11 ILE 30 -0.774 1.781 5.720 205 HD12 ILE 30 HD12 ILE 30 0.086 2.402 4.318 206 HD13 ILE 30 HD13 ILE 30 0.740 1.004 5.215 207 H GLU 31 H GLU 31 5.006 3.580 7.117 208 HA GLU 31 HA GLU 31 6.775 4.366 5.010 209 HB2 GLU 31 HB2 GLU 31 7.052 4.574 8.031 210 HB3 GLU 31 HB3 GLU 31 8.135 5.354 6.864 211 HG2 GLU 31 HG2 GLU 31 6.195 6.582 5.895 212 HG3 GLU 31 HG3 GLU 31 5.138 5.864 7.109 213 H GLN 32 H GLN 32 6.985 1.785 7.415 214 HA GLN 32 HA GLN 32 9.744 1.004 6.960 215 HB2 GLN 32 HB2 GLN 32 7.286 -0.389 8.060 216 HB3 GLN 32 HB3 GLN 32 8.901 -1.143 8.021 217 HG2 GLN 32 HG2 GLN 32 9.731 0.634 9.526 218 HG3 GLN 32 HG3 GLN 32 8.116 1.360 9.566 219 HE21 GLN 32 HE21 GLN 32 9.338 0.529 11.977 220 HE22 GLN 32 HE22 GLN 32 8.440 -0.855 12.573 221 H ALA 33 H ALA 33 6.639 0.194 5.366 222 HA ALA 33 HA ALA 33 7.839 -1.825 3.616 223 HB1 ALA 33 HB1 ALA 33 5.169 -0.397 3.744 224 HB2 ALA 33 HB2 ALA 33 5.615 -1.437 2.386 225 HB3 ALA 33 HB3 ALA 33 5.551 -2.118 4.022 226 H VAL 34 H VAL 34 7.065 1.686 3.314 227 HA VAL 34 HA VAL 34 7.644 1.921 0.523 228 HB VAL 34 HB VAL 34 7.518 3.910 2.791 229 HG11 VAL 34 HG11 VAL 34 7.362 5.680 1.030 230 HG12 VAL 34 HG12 VAL 34 8.976 4.973 1.155 231 HG13 VAL 34 HG13 VAL 34 7.895 4.501 -0.177 232 HG21 VAL 34 HG21 VAL 34 5.406 2.721 1.955 233 HG22 VAL 34 HG22 VAL 34 5.404 4.484 1.846 234 HG23 VAL 34 HG23 VAL 34 5.700 3.468 0.403 235 H THR 35 H THR 35 9.710 2.297 3.431 236 HA THR 35 HA THR 35 11.919 3.246 1.968 237 HB THR 35 HB THR 35 11.575 3.445 4.419 238 HG1 THR 35 HG1 THR 35 13.758 3.473 4.820 239 HG21 THR 35 HG21 THR 35 12.877 0.690 4.557 240 HG22 THR 35 HG22 THR 35 11.191 1.073 4.970 241 HG23 THR 35 HG23 THR 35 12.504 1.778 5.921 242 H LEU 36 H LEU 36 10.750 0.005 2.266 243 HA LEU 36 HA LEU 36 13.178 -1.238 1.093 244 HB2 LEU 36 HB2 LEU 36 10.482 -2.431 1.863 245 HB3 LEU 36 HB3 LEU 36 11.893 -3.324 1.316 246 HG LEU 36 HG LEU 36 11.689 -1.709 3.900 247 HD11 LEU 36 HD11 LEU 36 10.357 -3.777 3.886 248 HD12 LEU 36 HD12 LEU 36 11.733 -3.893 4.996 249 HD13 LEU 36 HD13 LEU 36 11.800 -4.715 3.418 250 HD21 LEU 36 HD21 LEU 36 13.837 -2.805 4.509 251 HD22 LEU 36 HD22 LEU 36 13.999 -1.677 3.155 252 HD23 LEU 36 HD23 LEU 36 13.971 -3.430 2.850 253 H LEU 37 H LEU 37 9.863 -0.379 0.178 254 HA LEU 37 HA LEU 37 9.841 -1.665 -2.383 255 HB2 LEU 37 HB2 LEU 37 8.226 0.548 -1.067 256 HB3 LEU 37 HB3 LEU 37 7.844 -0.041 -2.675 257 HG LEU 37 HG LEU 37 7.994 -1.957 -0.319 258 HD11 LEU 37 HD11 LEU 37 5.574 -0.461 -1.417 259 HD12 LEU 37 HD12 LEU 37 6.325 -0.169 0.152 260 HD13 LEU 37 HD13 LEU 37 5.560 -1.735 -0.172 261 HD21 LEU 37 HD21 LEU 37 6.508 -3.287 -1.779 262 HD22 LEU 37 HD22 LEU 37 8.083 -3.003 -2.529 263 HD23 LEU 37 HD23 LEU 37 6.679 -2.049 -3.055 264 H THR 38 H THR 38 10.863 1.548 -1.382 265 HA THR 38 HA THR 38 10.197 3.073 -3.443 266 HB THR 38 HB THR 38 11.092 4.001 -1.495 267 HG1 THR 38 HG1 THR 38 12.216 5.677 -2.438 268 HG21 THR 38 HG21 THR 38 13.057 2.486 -1.157 269 HG22 THR 38 HG22 THR 38 13.431 4.200 -0.966 270 HG23 THR 38 HG23 THR 38 13.898 3.350 -2.454 271 HA PRO 39 HA PRO 39 12.322 1.452 -6.970 272 HB2 PRO 39 HB2 PRO 39 11.319 3.017 -8.949 273 HB3 PRO 39 HB3 PRO 39 10.317 1.861 -8.032 274 HG2 PRO 39 HG2 PRO 39 10.630 4.847 -7.521 275 HG3 PRO 39 HG3 PRO 39 9.114 3.909 -7.694 276 HD2 PRO 39 HD2 PRO 39 10.184 4.482 -5.268 277 HD3 PRO 39 HD3 PRO 39 9.388 2.905 -5.582 278 H ARG 40 H ARG 40 13.825 1.958 -8.688 279 HA ARG 40 HA ARG 40 15.926 3.861 -7.948 280 HB2 ARG 40 HB2 ARG 40 15.631 2.162 -10.465 281 HB3 ARG 40 HB3 ARG 40 17.098 2.965 -9.910 282 HG2 ARG 40 HG2 ARG 40 15.682 0.647 -8.531 283 HG3 ARG 40 HG3 ARG 40 17.179 0.571 -9.429 284 HD2 ARG 40 HD2 ARG 40 16.760 2.108 -6.829 285 HD3 ARG 40 HD3 ARG 40 17.499 0.529 -6.962 286 HE ARG 40 HE ARG 40 18.731 3.101 -7.588 287 HH11 ARG 40 HH11 ARG 40 19.051 -0.362 -8.217 288 HH12 ARG 40 HH12 ARG 40 20.782 -0.182 -8.519 289 HH21 ARG 40 HH21 ARG 40 20.945 3.153 -7.992 290 HH22 ARG 40 HH22 ARG 40 21.766 1.645 -8.339 291 H ARG 41 H ARG 41 13.191 4.098 -10.017 292 HA ARG 41 HA ARG 41 14.059 6.820 -10.957 293 HB2 ARG 41 HB2 ARG 41 13.742 5.321 -12.845 294 HB3 ARG 41 HB3 ARG 41 12.183 4.781 -12.223 295 HG2 ARG 41 HG2 ARG 41 11.858 6.317 -14.073 296 HG3 ARG 41 HG3 ARG 41 11.214 7.027 -12.594 297 HD2 ARG 41 HD2 ARG 41 13.284 8.414 -12.379 298 HD3 ARG 41 HD3 ARG 41 13.893 7.709 -13.892 299 HE ARG 41 HE ARG 41 11.289 8.788 -14.351 300 HH11 ARG 41 HH11 ARG 41 14.504 10.005 -13.675 301 HH12 ARG 41 HH12 ARG 41 14.177 11.547 -14.420 302 HH21 ARG 41 HH21 ARG 41 10.948 10.764 -15.314 303 HH22 ARG 41 HH22 ARG 41 12.214 11.961 -15.321 304 H GLY 42 H GLY 42 13.184 8.342 -9.765 305 HA2 GLY 42 HA2 GLY 42 10.977 7.915 -7.941 306 HA3 GLY 42 HA3 GLY 42 11.832 9.427 -8.239 307 H GLY 43 H GLY 43 9.313 9.712 -7.707 308 HA2 GLY 43 HA2 GLY 43 7.524 10.978 -8.463 309 HA3 GLY 43 HA3 GLY 43 8.134 10.877 -10.112 310 H GLY 44 H GLY 44 5.621 10.800 -10.153 311 HA2 GLY 44 HA2 GLY 44 4.718 8.314 -11.173 312 HA3 GLY 44 HA3 GLY 44 4.135 8.457 -9.519 313 H SER 45 H SER 45 2.145 8.273 -11.115 314 HA SER 45 HA SER 45 1.301 10.473 -12.669 315 HB2 SER 45 HB2 SER 45 -0.397 8.362 -11.283 316 HB3 SER 45 HB3 SER 45 -0.912 9.418 -12.613 317 HG SER 45 HG SER 45 -0.216 7.354 -13.348 318 H GLY 46 H GLY 46 0.687 12.468 -12.126 319 HA2 GLY 46 HA2 GLY 46 0.025 13.206 -9.379 320 HA3 GLY 46 HA3 GLY 46 0.195 14.271 -10.779 321 H GLY 47 H GLY 47 -1.902 12.446 -12.209 322 HA2 GLY 47 HA2 GLY 47 -4.188 14.095 -11.687 323 HA3 GLY 47 HA3 GLY 47 -4.134 12.642 -12.701 324 H GLY 48 H GLY 48 -3.257 10.975 -10.357 325 HA2 GLY 48 HA2 GLY 48 -5.678 10.999 -8.596 326 HA3 GLY 48 HA3 GLY 48 -5.096 9.504 -9.343 327 H SER 49 H SER 49 -2.535 11.582 -8.446 328 HA SER 49 HA SER 49 -0.761 11.283 -7.086 329 HB2 SER 49 HB2 SER 49 -2.874 10.865 -4.951 330 HB3 SER 49 HB3 SER 49 -1.160 11.240 -4.679 331 HG SER 49 HG SER 49 -2.487 13.117 -4.653 332 H MET 50 H MET 50 0.229 9.524 -7.991 333 HA MET 50 HA MET 50 -0.016 6.954 -6.456 334 HB2 MET 50 HB2 MET 50 0.988 7.467 -9.265 335 HB3 MET 50 HB3 MET 50 1.234 5.946 -8.385 336 HG2 MET 50 HG2 MET 50 -1.214 5.708 -8.099 337 HG3 MET 50 HG3 MET 50 -1.471 7.181 -9.041 338 HE1 MET 50 HE1 MET 50 -3.154 5.864 -10.662 339 HE2 MET 50 HE2 MET 50 -2.750 4.305 -11.415 340 HE3 MET 50 HE3 MET 50 -2.897 4.416 -9.652 341 H ASP 51 H ASP 51 1.355 6.719 -4.942 342 HA ASP 51 HA ASP 51 4.224 6.746 -5.414 343 HB2 ASP 51 HB2 ASP 51 3.826 9.033 -4.497 344 HB3 ASP 51 HB3 ASP 51 2.999 8.327 -3.102 345 H ALA 52 H ALA 52 5.261 5.315 -3.793 346 HA ALA 52 HA ALA 52 3.721 3.028 -3.164 347 HB1 ALA 52 HB1 ALA 52 6.168 2.990 -3.421 348 HB2 ALA 52 HB2 ALA 52 6.348 3.935 -1.925 349 HB3 ALA 52 HB3 ALA 52 5.669 2.287 -1.871 350 H LYS 53 H LYS 53 4.413 5.875 -1.117 351 HA LYS 53 HA LYS 53 3.330 4.840 1.338 352 HB2 LYS 53 HB2 LYS 53 4.774 6.933 0.904 353 HB3 LYS 53 HB3 LYS 53 3.292 7.761 0.456 354 HG2 LYS 53 HG2 LYS 53 3.807 6.380 3.116 355 HG3 LYS 53 HG3 LYS 53 4.135 8.088 2.822 356 HD2 LYS 53 HD2 LYS 53 1.794 8.597 2.554 357 HD3 LYS 53 HD3 LYS 53 1.366 6.883 2.580 358 HE2 LYS 53 HE2 LYS 53 2.373 6.755 4.911 359 HE3 LYS 53 HE3 LYS 53 2.442 8.517 4.886 360 HZ1 LYS 53 HZ1 LYS 53 -0.037 6.917 4.477 361 HZ2 LYS 53 HZ2 LYS 53 0.038 8.552 4.546 362 HZ3 LYS 53 HZ3 LYS 53 0.353 7.671 5.884 363 H GLU 54 H GLU 54 1.780 6.870 -1.137 364 HA GLU 54 HA GLU 54 -0.842 6.780 0.006 365 HB2 GLU 54 HB2 GLU 54 0.097 8.399 -1.747 366 HB3 GLU 54 HB3 GLU 54 -0.136 7.120 -2.936 367 HG2 GLU 54 HG2 GLU 54 -2.025 8.566 -3.068 368 HG3 GLU 54 HG3 GLU 54 -2.591 7.079 -2.323 369 H ILE 55 H ILE 55 0.719 4.644 -2.392 370 HA ILE 55 HA ILE 55 -1.548 2.999 -2.974 371 HB ILE 55 HB ILE 55 1.434 2.506 -3.144 372 HG12 ILE 55 HG12 ILE 55 -0.561 2.803 -5.420 373 HG13 ILE 55 HG13 ILE 55 0.137 4.225 -4.672 374 HG21 ILE 55 HG21 ILE 55 -0.847 0.708 -4.032 375 HG22 ILE 55 HG22 ILE 55 0.794 0.551 -4.649 376 HG23 ILE 55 HG23 ILE 55 0.484 0.291 -2.928 377 HD11 ILE 55 HD11 ILE 55 1.735 2.016 -6.041 378 HD12 ILE 55 HD12 ILE 55 1.407 3.647 -6.656 379 HD13 ILE 55 HD13 ILE 55 2.424 3.426 -5.222 380 H LEU 56 H LEU 56 1.049 2.554 -0.511 381 HA LEU 56 HA LEU 56 -0.197 0.242 0.657 382 HB2 LEU 56 HB2 LEU 56 1.998 2.147 1.493 383 HB3 LEU 56 HB3 LEU 56 1.213 1.187 2.738 384 HG LEU 56 HG LEU 56 3.158 0.062 2.155 385 HD11 LEU 56 HD11 LEU 56 1.088 -1.316 2.522 386 HD12 LEU 56 HD12 LEU 56 2.396 -2.105 1.605 387 HD13 LEU 56 HD13 LEU 56 0.974 -1.509 0.753 388 HD21 LEU 56 HD21 LEU 56 3.726 0.869 0.025 389 HD22 LEU 56 HD22 LEU 56 2.235 0.221 -0.727 390 HD23 LEU 56 HD23 LEU 56 3.489 -0.879 -0.146 391 H THR 57 H THR 57 -0.597 3.712 1.354 392 HA THR 57 HA THR 57 -2.180 3.357 3.715 393 HB THR 57 HB THR 57 -2.208 5.655 1.728 394 HG1 THR 57 HG1 THR 57 -0.197 5.268 2.650 395 HG21 THR 57 HG21 THR 57 -2.960 7.005 3.665 396 HG22 THR 57 HG22 THR 57 -3.114 5.520 4.636 397 HG23 THR 57 HG23 THR 57 -4.161 5.784 3.224 398 H ARG 58 H ARG 58 -3.177 3.687 0.279 399 HA ARG 58 HA ARG 58 -6.023 3.333 0.764 400 HB2 ARG 58 HB2 ARG 58 -4.299 2.902 -1.712 401 HB3 ARG 58 HB3 ARG 58 -6.057 2.804 -1.695 402 HG2 ARG 58 HG2 ARG 58 -6.329 5.106 -1.137 403 HG3 ARG 58 HG3 ARG 58 -4.591 5.327 -0.859 404 HD2 ARG 58 HD2 ARG 58 -4.119 4.823 -3.212 405 HD3 ARG 58 HD3 ARG 58 -5.829 4.517 -3.528 406 HE ARG 58 HE ARG 58 -6.052 7.015 -2.665 407 HH11 ARG 58 HH11 ARG 58 -3.597 5.829 -4.890 408 HH12 ARG 58 HH12 ARG 58 -3.315 7.432 -5.526 409 HH21 ARG 58 HH21 ARG 58 -5.801 8.938 -3.762 410 HH22 ARG 58 HH22 ARG 58 -4.713 9.003 -5.144 411 H PHE 59 H PHE 59 -3.440 0.974 -0.089 412 HA PHE 59 HA PHE 59 -5.113 -1.335 -0.208 413 HB2 PHE 59 HB2 PHE 59 -2.851 -1.326 -1.099 414 HB3 PHE 59 HB3 PHE 59 -2.176 -0.946 0.475 415 HD1 PHE 59 HD1 PHE 59 -4.215 -3.576 -1.266 416 HD2 PHE 59 HD2 PHE 59 -1.408 -2.681 1.885 417 HE1 PHE 59 HE1 PHE 59 -4.013 -6.000 -0.752 418 HE2 PHE 59 HE2 PHE 59 -1.206 -5.109 2.385 419 HZ PHE 59 HZ PHE 59 -2.484 -6.771 1.062 420 H LYS 60 H LYS 60 -3.324 0.063 2.598 421 HA LYS 60 HA LYS 60 -4.189 -1.965 4.386 422 HB2 LYS 60 HB2 LYS 60 -2.185 -0.462 4.631 423 HB3 LYS 60 HB3 LYS 60 -3.275 0.820 5.180 424 HG2 LYS 60 HG2 LYS 60 -4.011 -0.654 7.065 425 HG3 LYS 60 HG3 LYS 60 -2.961 -1.946 6.446 426 HD2 LYS 60 HD2 LYS 60 -0.998 -0.410 6.716 427 HD3 LYS 60 HD3 LYS 60 -2.053 0.759 7.523 428 HE2 LYS 60 HE2 LYS 60 -1.598 -2.119 8.456 429 HE3 LYS 60 HE3 LYS 60 -0.685 -0.716 9.044 430 HZ1 LYS 60 HZ1 LYS 60 -2.500 -1.213 10.530 431 HZ2 LYS 60 HZ2 LYS 60 -3.613 -1.101 9.339 432 HZ3 LYS 60 HZ3 LYS 60 -2.798 0.233 9.831 433 H ASP 61 H ASP 61 -5.588 1.180 3.619 434 HA ASP 61 HA ASP 61 -7.804 1.035 5.468 435 HB2 ASP 61 HB2 ASP 61 -6.911 3.114 4.443 436 HB3 ASP 61 HB3 ASP 61 -7.479 2.575 2.859 437 H GLY 62 H GLY 62 -7.209 -0.703 2.542 438 HA2 GLY 62 HA2 GLY 62 -8.490 -2.388 1.598 439 HA3 GLY 62 HA3 GLY 62 -9.887 -1.926 2.572 440 H GLY 63 H GLY 63 -8.529 0.762 0.959 441 HA2 GLY 63 HA2 GLY 63 -10.741 0.997 -0.960 442 HA3 GLY 63 HA3 GLY 63 -9.459 2.170 -0.626 443 H LEU 64 H LEU 64 -7.701 -0.497 -1.050 444 HA LEU 64 HA LEU 64 -7.663 -0.534 -4.028 445 HB2 LEU 64 HB2 LEU 64 -5.923 1.024 -2.993 446 HB3 LEU 64 HB3 LEU 64 -5.204 -0.403 -2.250 447 HG LEU 64 HG LEU 64 -4.861 -1.333 -4.601 448 HD11 LEU 64 HD11 LEU 64 -6.492 0.075 -5.813 449 HD12 LEU 64 HD12 LEU 64 -4.864 0.394 -6.421 450 HD13 LEU 64 HD13 LEU 64 -5.613 1.534 -5.304 451 HD21 LEU 64 HD21 LEU 64 -2.928 0.144 -5.047 452 HD22 LEU 64 HD22 LEU 64 -3.043 -0.266 -3.324 453 HD23 LEU 64 HD23 LEU 64 -3.559 1.339 -3.892 454 H ASP 65 H ASP 65 -7.285 -2.535 -4.928 455 HA ASP 65 HA ASP 65 -7.370 -4.889 -3.173 456 HB2 ASP 65 HB2 ASP 65 -8.628 -4.588 -5.388 457 HB3 ASP 65 HB3 ASP 65 -7.078 -4.826 -6.191 458 H ARG 66 H ARG 66 -5.892 -6.694 -3.499 459 HA ARG 66 HA ARG 66 -3.099 -5.959 -3.129 460 HB2 ARG 66 HB2 ARG 66 -4.192 -7.933 -2.069 461 HB3 ARG 66 HB3 ARG 66 -4.383 -8.680 -3.655 462 HG2 ARG 66 HG2 ARG 66 -1.945 -8.771 -3.950 463 HG3 ARG 66 HG3 ARG 66 -1.675 -7.901 -2.437 464 HD2 ARG 66 HD2 ARG 66 -3.121 -10.578 -2.616 465 HD3 ARG 66 HD3 ARG 66 -1.382 -10.440 -2.439 466 HE ARG 66 HE ARG 66 -3.343 -9.344 -0.445 467 HH11 ARG 66 HH11 ARG 66 -0.367 -11.195 -0.995 468 HH12 ARG 66 HH12 ARG 66 0.045 -11.079 0.708 469 HH21 ARG 66 HH21 ARG 66 -2.769 -9.524 1.728 470 HH22 ARG 66 HH22 ARG 66 -1.284 -10.389 2.112 471 H ALA 67 H ALA 67 -4.894 -7.279 -5.918 472 HA ALA 67 HA ALA 67 -2.625 -7.645 -7.618 473 HB1 ALA 67 HB1 ALA 67 -4.307 -7.696 -9.426 474 HB2 ALA 67 HB2 ALA 67 -4.830 -8.655 -8.029 475 HB3 ALA 67 HB3 ALA 67 -5.535 -7.056 -8.312 476 H ALA 68 H ALA 68 -4.756 -4.799 -7.160 477 HA ALA 68 HA ALA 68 -3.421 -3.150 -9.116 478 HB1 ALA 68 HB1 ALA 68 -5.201 -2.395 -6.755 479 HB2 ALA 68 HB2 ALA 68 -4.746 -1.333 -8.108 480 HB3 ALA 68 HB3 ALA 68 -5.764 -2.763 -8.398 481 H ALA 69 H ALA 69 -3.035 -3.503 -5.537 482 HA ALA 69 HA ALA 69 -1.046 -1.502 -5.205 483 HB1 ALA 69 HB1 ALA 69 -2.284 -2.602 -3.361 484 HB2 ALA 69 HB2 ALA 69 -1.434 -4.121 -3.692 485 HB3 ALA 69 HB3 ALA 69 -0.534 -2.703 -3.123 486 H GLN 70 H GLN 70 -0.628 -5.022 -5.899 487 HA GLN 70 HA GLN 70 2.223 -4.996 -6.049 488 HB2 GLN 70 HB2 GLN 70 0.120 -6.768 -7.358 489 HB3 GLN 70 HB3 GLN 70 1.873 -7.057 -7.496 490 HG2 GLN 70 HG2 GLN 70 2.094 -7.303 -5.096 491 HG3 GLN 70 HG3 GLN 70 0.398 -6.916 -4.832 492 HE21 GLN 70 HE21 GLN 70 1.131 -9.188 -3.695 493 HE22 GLN 70 HE22 GLN 70 0.602 -10.579 -4.627 494 H ALA 71 H ALA 71 -0.193 -4.503 -8.663 495 HA ALA 71 HA ALA 71 1.606 -4.285 -10.841 496 HB1 ALA 71 HB1 ALA 71 -0.325 -3.158 -11.934 497 HB2 ALA 71 HB2 ALA 71 -0.855 -4.570 -11.015 498 HB3 ALA 71 HB3 ALA 71 -1.101 -2.940 -10.360 499 H LEU 72 H LEU 72 0.160 -1.641 -8.895 500 HA LEU 72 HA LEU 72 1.623 0.454 -10.175 501 HB2 LEU 72 HB2 LEU 72 -0.061 0.172 -7.679 502 HB3 LEU 72 HB3 LEU 72 0.750 1.686 -8.071 503 HG LEU 72 HG LEU 72 -0.527 2.185 -9.885 504 HD11 LEU 72 HD11 LEU 72 -1.630 -0.630 -10.120 505 HD12 LEU 72 HD12 LEU 72 -0.438 0.114 -11.215 506 HD13 LEU 72 HD13 LEU 72 -2.073 0.768 -11.117 507 HD21 LEU 72 HD21 LEU 72 -2.861 1.954 -9.163 508 HD22 LEU 72 HD22 LEU 72 -1.811 2.231 -7.762 509 HD23 LEU 72 HD23 LEU 72 -2.412 0.590 -8.119 510 H LEU 73 H LEU 73 2.374 -1.420 -7.216 511 HA LEU 73 HA LEU 73 4.726 0.159 -6.537 512 HB2 LEU 73 HB2 LEU 73 3.837 -2.665 -5.827 513 HB3 LEU 73 HB3 LEU 73 5.308 -1.936 -5.208 514 HG LEU 73 HG LEU 73 2.531 -0.782 -4.771 515 HD11 LEU 73 HD11 LEU 73 2.832 -2.952 -3.632 516 HD12 LEU 73 HD12 LEU 73 2.688 -1.613 -2.488 517 HD13 LEU 73 HD13 LEU 73 4.288 -2.324 -2.826 518 HD21 LEU 73 HD21 LEU 73 5.224 0.003 -3.627 519 HD22 LEU 73 HD22 LEU 73 3.660 0.544 -2.971 520 HD23 LEU 73 HD23 LEU 73 4.130 0.993 -4.609 521 H ALA 74 H ALA 74 4.236 -2.722 -8.606 522 HA ALA 74 HA ALA 74 7.042 -2.944 -9.292 523 HB1 ALA 74 HB1 ALA 74 4.582 -4.104 -10.649 524 HB2 ALA 74 HB2 ALA 74 6.261 -4.606 -10.916 525 HB3 ALA 74 HB3 ALA 74 5.504 -4.865 -9.337 526 H GLY 75 H GLY 75 4.841 -0.563 -10.118 527 HA2 GLY 75 HA2 GLY 75 5.140 1.287 -11.445 528 HA3 GLY 75 HA3 GLY 75 6.652 0.607 -12.037 529 H ARG 76 H ARG 76 3.764 -1.313 -12.478 530 HA ARG 76 HA ARG 76 3.434 -0.417 -15.329 531 HB2 ARG 76 HB2 ARG 76 3.868 -3.272 -14.348 532 HB3 ARG 76 HB3 ARG 76 3.214 -2.861 -15.943 533 HG2 ARG 76 HG2 ARG 76 5.275 -1.568 -16.468 534 HG3 ARG 76 HG3 ARG 76 5.967 -2.014 -14.910 535 HD2 ARG 76 HD2 ARG 76 5.086 -4.042 -17.009 536 HD3 ARG 76 HD3 ARG 76 6.710 -3.391 -16.925 537 HE ARG 76 HE ARG 76 5.490 -5.328 -15.083 538 HH11 ARG 76 HH11 ARG 76 8.271 -3.227 -15.573 539 HH12 ARG 76 HH12 ARG 76 9.245 -4.118 -14.417 540 HH21 ARG 76 HH21 ARG 76 6.795 -6.407 -13.667 541 HH22 ARG 76 HH22 ARG 76 8.439 -5.838 -13.399 542 H THR 77 H THR 77 1.358 -0.590 -16.181 543 HA THR 77 HA THR 77 -0.695 -0.398 -14.169 544 HB THR 77 HB THR 77 -2.246 -0.087 -16.166 545 HG1 THR 77 HG1 THR 77 -1.230 0.280 -18.132 546 HG21 THR 77 HG21 THR 77 0.193 1.737 -15.976 547 HG22 THR 77 HG22 THR 77 -1.236 1.798 -14.927 548 HG23 THR 77 HG23 THR 77 -1.392 2.160 -16.653 549 HA PRO 78 HA PRO 78 -2.334 -4.567 -14.324 550 HB2 PRO 78 HB2 PRO 78 -4.777 -4.227 -13.178 551 HB3 PRO 78 HB3 PRO 78 -3.246 -4.071 -12.260 552 HG2 PRO 78 HG2 PRO 78 -4.907 -1.846 -13.478 553 HG3 PRO 78 HG3 PRO 78 -4.252 -1.961 -11.815 554 HD2 PRO 78 HD2 PRO 78 -2.981 -0.564 -13.779 555 HD3 PRO 78 HD3 PRO 78 -2.080 -1.460 -12.534 556 H ALA 79 H ALA 79 -4.108 -5.811 -15.309 557 HA ALA 79 HA ALA 79 -5.696 -4.467 -17.427 558 HB1 ALA 79 HB1 ALA 79 -3.547 -5.082 -18.470 559 HB2 ALA 79 HB2 ALA 79 -3.759 -6.770 -17.930 560 HB3 ALA 79 HB3 ALA 79 -4.874 -6.050 -19.122 561 H ALA 80 H ALA 80 -7.402 -5.768 -18.298 562 HA ALA 80 HA ALA 80 -8.622 -7.574 -16.364 563 HB1 ALA 80 HB1 ALA 80 -9.915 -5.796 -17.493 564 HB2 ALA 80 HB2 ALA 80 -9.587 -6.557 -19.076 565 HB3 ALA 80 HB3 ALA 80 -10.582 -7.398 -17.863 566 H ALA 81 H ALA 81 -6.347 -8.204 -18.517 567 HA ALA 81 HA ALA 81 -7.002 -11.088 -18.674 568 HB1 ALA 81 HB1 ALA 81 -6.136 -9.419 -21.066 569 HB2 ALA 81 HB2 ALA 81 -6.276 -11.195 -21.032 570 HB3 ALA 81 HB3 ALA 81 -7.719 -10.197 -20.833 571 HA PRO 82 HA PRO 82 -2.756 -9.900 -17.211 572 HB2 PRO 82 HB2 PRO 82 -2.746 -10.881 -14.678 573 HB3 PRO 82 HB3 PRO 82 -3.688 -9.430 -15.121 574 HG2 PRO 82 HG2 PRO 82 -4.679 -12.305 -14.969 575 HG3 PRO 82 HG3 PRO 82 -5.367 -10.861 -14.155 576 HD2 PRO 82 HD2 PRO 82 -6.336 -11.753 -16.548 577 HD3 PRO 82 HD3 PRO 82 -6.230 -10.008 -16.171 578 H ARG 83 H ARG 83 -3.713 -12.491 -18.601 579 HA ARG 83 HA ARG 83 -1.286 -14.128 -18.078 580 HB2 ARG 83 HB2 ARG 83 -3.122 -15.131 -16.793 581 HB3 ARG 83 HB3 ARG 83 -4.145 -15.177 -18.225 582 HG2 ARG 83 HG2 ARG 83 -3.309 -17.377 -17.812 583 HG3 ARG 83 HG3 ARG 83 -2.560 -16.785 -19.287 584 HD2 ARG 83 HD2 ARG 83 -0.497 -16.233 -17.977 585 HD3 ARG 83 HD3 ARG 83 -1.272 -16.849 -16.520 586 HE ARG 83 HE ARG 83 -0.214 -18.387 -18.825 587 HH11 ARG 83 HH11 ARG 83 -2.083 -18.642 -15.863 588 HH12 ARG 83 HH12 ARG 83 -1.870 -20.372 -15.785 589 HH21 ARG 83 HH21 ARG 83 0.017 -20.573 -18.647 590 HH22 ARG 83 HH22 ARG 83 -0.717 -21.427 -17.314 591 HA PRO 84 HA PRO 84 -1.547 -13.633 -22.622 592 HB2 PRO 84 HB2 PRO 84 0.989 -14.392 -23.274 593 HB3 PRO 84 HB3 PRO 84 0.603 -12.802 -22.543 594 HG2 PRO 84 HG2 PRO 84 1.587 -15.305 -21.138 595 HG3 PRO 84 HG3 PRO 84 2.208 -13.631 -20.987 596 HD2 PRO 84 HD2 PRO 84 0.442 -14.695 -19.212 597 HD3 PRO 84 HD3 PRO 84 0.369 -12.970 -19.673 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 11.590 8.306 -19.547 2 H2 GLY 1 H2 GLY 1 10.774 8.301 -20.972 3 H3 GLY 1 H3 GLY 1 10.669 7.007 -19.983 4 HA2 GLY 1 HA2 GLY 1 9.664 9.709 -19.401 5 HA3 GLY 1 HA3 GLY 1 8.659 8.318 -19.853 6 HA PRO 2 HA PRO 2 8.935 8.824 -15.190 7 HB2 PRO 2 HB2 PRO 2 5.974 8.335 -15.549 8 HB3 PRO 2 HB3 PRO 2 6.811 9.412 -14.408 9 HG2 PRO 2 HG2 PRO 2 5.667 10.431 -16.630 10 HG3 PRO 2 HG3 PRO 2 7.319 10.982 -16.152 11 HD2 PRO 2 HD2 PRO 2 6.552 8.871 -18.200 12 HD3 PRO 2 HD3 PRO 2 7.691 10.240 -18.373 13 H GLY 3 H GLY 3 8.679 7.284 -13.514 14 HA2 GLY 3 HA2 GLY 3 8.407 5.246 -12.494 15 HA3 GLY 3 HA3 GLY 3 7.403 4.712 -13.841 16 H SER 4 H SER 4 10.616 5.763 -14.681 17 HA SER 4 HA SER 4 11.258 3.122 -15.703 18 HB2 SER 4 HB2 SER 4 13.146 4.295 -16.747 19 HB3 SER 4 HB3 SER 4 11.602 5.120 -17.023 20 HG SER 4 HG SER 4 13.236 6.607 -16.423 21 H TYR 5 H TYR 5 11.872 4.440 -12.648 22 HA TYR 5 HA TYR 5 14.617 3.923 -12.251 23 HB2 TYR 5 HB2 TYR 5 13.342 5.342 -10.772 24 HB3 TYR 5 HB3 TYR 5 12.351 3.977 -10.249 25 HD1 TYR 5 HD1 TYR 5 15.755 5.471 -10.081 26 HD2 TYR 5 HD2 TYR 5 13.115 2.384 -8.610 27 HE1 TYR 5 HE1 TYR 5 17.392 4.923 -8.286 28 HE2 TYR 5 HE2 TYR 5 14.784 1.818 -6.844 29 HH TYR 5 HH TYR 5 17.885 3.576 -6.498 30 H THR 6 H THR 6 15.820 2.253 -11.693 31 HA THR 6 HA THR 6 14.723 -0.225 -10.521 32 HB THR 6 HB THR 6 16.141 -1.669 -11.902 33 HG1 THR 6 HG1 THR 6 17.062 -0.840 -13.784 34 HG21 THR 6 HG21 THR 6 13.765 -1.268 -12.571 35 HG22 THR 6 HG22 THR 6 14.831 -1.709 -13.915 36 HG23 THR 6 HG23 THR 6 14.334 -0.011 -13.704 37 H GLY 7 H GLY 7 16.389 -1.506 -9.424 38 HA2 GLY 7 HA2 GLY 7 19.062 -0.597 -8.990 39 HA3 GLY 7 HA3 GLY 7 18.031 0.073 -7.726 40 H ALA 8 H ALA 8 20.194 -2.156 -7.967 41 HA ALA 8 HA ALA 8 20.644 -4.276 -7.340 42 HB1 ALA 8 HB1 ALA 8 19.904 -4.945 -5.117 43 HB2 ALA 8 HB2 ALA 8 20.306 -3.219 -5.141 44 HB3 ALA 8 HB3 ALA 8 18.601 -3.732 -5.165 45 H GLY 9 H GLY 9 18.953 -4.184 -9.491 46 HA2 GLY 9 HA2 GLY 9 17.809 -5.843 -10.785 47 HA3 GLY 9 HA3 GLY 9 17.275 -6.634 -9.313 48 H GLU 10 H GLU 10 15.100 -6.623 -9.658 49 HA GLU 10 HA GLU 10 13.634 -4.023 -9.835 50 HB2 GLU 10 HB2 GLU 10 13.164 -6.530 -11.507 51 HB3 GLU 10 HB3 GLU 10 12.037 -5.180 -11.399 52 HG2 GLU 10 HG2 GLU 10 13.736 -3.649 -12.332 53 HG3 GLU 10 HG3 GLU 10 14.886 -4.980 -12.460 54 HA PRO 11 HA PRO 11 10.925 -5.889 -6.733 55 HB2 PRO 11 HB2 PRO 11 8.643 -4.716 -8.312 56 HB3 PRO 11 HB3 PRO 11 8.982 -4.611 -6.554 57 HG2 PRO 11 HG2 PRO 11 9.506 -2.494 -8.157 58 HG3 PRO 11 HG3 PRO 11 10.695 -2.976 -6.901 59 HD2 PRO 11 HD2 PRO 11 10.731 -3.660 -9.866 60 HD3 PRO 11 HD3 PRO 11 12.046 -3.024 -8.833 61 H SER 12 H SER 12 9.589 -7.711 -6.478 62 HA SER 12 HA SER 12 8.606 -9.131 -8.926 63 HB2 SER 12 HB2 SER 12 9.319 -11.219 -8.105 64 HB3 SER 12 HB3 SER 12 10.724 -10.141 -8.096 65 HG SER 12 HG SER 12 10.669 -11.281 -6.173 66 H GLN 13 H GLN 13 6.730 -10.335 -8.706 67 HA GLN 13 HA GLN 13 4.795 -9.520 -6.784 68 HB2 GLN 13 HB2 GLN 13 3.413 -11.302 -7.632 69 HB3 GLN 13 HB3 GLN 13 4.196 -10.434 -8.956 70 HG2 GLN 13 HG2 GLN 13 5.867 -12.281 -9.151 71 HG3 GLN 13 HG3 GLN 13 5.039 -13.151 -7.849 72 HE21 GLN 13 HE21 GLN 13 5.248 -14.656 -10.011 73 HE22 GLN 13 HE22 GLN 13 3.755 -14.691 -10.930 74 H ALA 14 H ALA 14 7.307 -11.929 -6.569 75 HA ALA 14 HA ALA 14 6.157 -13.403 -4.341 76 HB1 ALA 14 HB1 ALA 14 7.732 -14.425 -5.931 77 HB2 ALA 14 HB2 ALA 14 9.007 -13.283 -5.419 78 HB3 ALA 14 HB3 ALA 14 8.373 -14.494 -4.280 79 H ASP 15 H ASP 15 8.545 -10.788 -4.614 80 HA ASP 15 HA ASP 15 8.999 -10.575 -1.752 81 HB2 ASP 15 HB2 ASP 15 10.673 -9.909 -3.443 82 HB3 ASP 15 HB3 ASP 15 9.593 -8.633 -4.013 83 H LEU 16 H LEU 16 6.957 -8.894 -4.049 84 HA LEU 16 HA LEU 16 5.901 -6.942 -2.233 85 HB2 LEU 16 HB2 LEU 16 4.848 -8.095 -4.844 86 HB3 LEU 16 HB3 LEU 16 4.030 -6.797 -3.977 87 HG LEU 16 HG LEU 16 6.924 -6.531 -4.873 88 HD11 LEU 16 HD11 LEU 16 6.089 -5.273 -6.806 89 HD12 LEU 16 HD12 LEU 16 4.414 -5.671 -6.372 90 HD13 LEU 16 HD13 LEU 16 5.544 -6.960 -6.855 91 HD21 LEU 16 HD21 LEU 16 6.431 -4.118 -4.726 92 HD22 LEU 16 HD22 LEU 16 6.173 -4.921 -3.173 93 HD23 LEU 16 HD23 LEU 16 4.774 -4.492 -4.187 94 H ASP 17 H ASP 17 4.510 -10.123 -3.247 95 HA ASP 17 HA ASP 17 2.142 -9.883 -1.712 96 HB2 ASP 17 HB2 ASP 17 2.616 -11.569 -3.503 97 HB3 ASP 17 HB3 ASP 17 3.734 -12.397 -2.425 98 H ALA 18 H ALA 18 5.351 -11.071 -0.738 99 HA ALA 18 HA ALA 18 4.597 -12.016 1.875 100 HB1 ALA 18 HB1 ALA 18 7.043 -12.006 2.276 101 HB2 ALA 18 HB2 ALA 18 6.650 -12.742 0.717 102 HB3 ALA 18 HB3 ALA 18 7.289 -11.085 0.780 103 H LEU 19 H LEU 19 5.881 -8.890 0.706 104 HA LEU 19 HA LEU 19 6.050 -7.589 3.249 105 HB2 LEU 19 HB2 LEU 19 7.191 -6.887 1.115 106 HB3 LEU 19 HB3 LEU 19 5.621 -6.445 0.455 107 HG LEU 19 HG LEU 19 5.462 -4.875 2.600 108 HD11 LEU 19 HD11 LEU 19 7.618 -4.021 3.324 109 HD12 LEU 19 HD12 LEU 19 8.474 -5.131 2.238 110 HD13 LEU 19 HD13 LEU 19 7.557 -5.756 3.630 111 HD21 LEU 19 HD21 LEU 19 5.418 -4.076 0.333 112 HD22 LEU 19 HD22 LEU 19 7.183 -4.308 0.149 113 HD23 LEU 19 HD23 LEU 19 6.544 -3.080 1.273 114 H LEU 20 H LEU 20 3.538 -7.555 0.718 115 HA LEU 20 HA LEU 20 1.797 -5.700 1.918 116 HB2 LEU 20 HB2 LEU 20 1.390 -7.920 -0.083 117 HB3 LEU 20 HB3 LEU 20 0.099 -6.795 0.303 118 HG LEU 20 HG LEU 20 2.800 -5.805 -0.717 119 HD11 LEU 20 HD11 LEU 20 0.304 -6.389 -2.361 120 HD12 LEU 20 HD12 LEU 20 1.802 -7.348 -2.397 121 HD13 LEU 20 HD13 LEU 20 1.820 -5.668 -2.949 122 HD21 LEU 20 HD21 LEU 20 0.041 -4.558 -0.746 123 HD22 LEU 20 HD22 LEU 20 1.533 -3.832 -1.369 124 HD23 LEU 20 HD23 LEU 20 1.357 -4.128 0.370 125 H SER 21 H SER 21 1.774 -9.320 2.123 126 HA SER 21 HA SER 21 -0.565 -9.535 3.768 127 HB2 SER 21 HB2 SER 21 1.924 -11.271 3.555 128 HB3 SER 21 HB3 SER 21 0.523 -11.693 4.573 129 HG SER 21 HG SER 21 0.355 -12.622 2.519 130 H ALA 22 H ALA 22 2.793 -8.709 4.675 131 HA ALA 22 HA ALA 22 2.280 -9.035 7.515 132 HB1 ALA 22 HB1 ALA 22 4.516 -9.295 6.446 133 HB2 ALA 22 HB2 ALA 22 4.526 -7.557 6.090 134 HB3 ALA 22 HB3 ALA 22 4.511 -8.127 7.780 135 H VAL 23 H VAL 23 1.925 -6.289 5.236 136 HA VAL 23 HA VAL 23 1.390 -4.446 7.497 137 HB VAL 23 HB VAL 23 2.638 -3.531 5.719 138 HG11 VAL 23 HG11 VAL 23 1.797 -3.202 3.481 139 HG12 VAL 23 HG12 VAL 23 1.925 -4.904 3.877 140 HG13 VAL 23 HG13 VAL 23 0.325 -4.123 3.866 141 HG21 VAL 23 HG21 VAL 23 -0.141 -2.309 5.504 142 HG22 VAL 23 HG22 VAL 23 0.958 -2.046 6.879 143 HG23 VAL 23 HG23 VAL 23 1.440 -1.517 5.261 144 H ARG 24 H ARG 24 -0.512 -6.228 5.096 145 HA ARG 24 HA ARG 24 -3.080 -5.138 5.819 146 HB2 ARG 24 HB2 ARG 24 -2.394 -6.550 3.769 147 HB3 ARG 24 HB3 ARG 24 -2.466 -7.948 4.823 148 HG2 ARG 24 HG2 ARG 24 -4.492 -7.868 3.614 149 HG3 ARG 24 HG3 ARG 24 -4.911 -7.366 5.251 150 HD2 ARG 24 HD2 ARG 24 -5.009 -5.006 4.530 151 HD3 ARG 24 HD3 ARG 24 -4.373 -5.452 2.940 152 HE ARG 24 HE ARG 24 -6.925 -6.668 3.890 153 HH11 ARG 24 HH11 ARG 24 -5.622 -4.247 1.696 154 HH12 ARG 24 HH12 ARG 24 -6.874 -4.528 0.525 155 HH21 ARG 24 HH21 ARG 24 -8.566 -6.830 2.434 156 HH22 ARG 24 HH22 ARG 24 -8.559 -5.860 0.992 157 H ASP 25 H ASP 25 -1.096 -7.657 7.249 158 HA ASP 25 HA ASP 25 -3.057 -8.323 9.345 159 HB2 ASP 25 HB2 ASP 25 -1.611 -9.988 8.130 160 HB3 ASP 25 HB3 ASP 25 -0.204 -9.284 8.934 161 H ASN 26 H ASN 26 -1.294 -5.641 8.997 162 HA ASN 26 HA ASN 26 -0.459 -4.040 10.283 163 HB2 ASN 26 HB2 ASN 26 -2.786 -4.342 11.196 164 HB3 ASN 26 HB3 ASN 26 -2.098 -5.274 12.519 165 HD21 ASN 26 HD21 ASN 26 -2.264 -3.959 14.317 166 HD22 ASN 26 HD22 ASN 26 -1.740 -2.280 14.346 167 H ARG 27 H ARG 27 1.184 -6.459 10.155 168 HA ARG 27 HA ARG 27 2.845 -6.261 12.624 169 HB2 ARG 27 HB2 ARG 27 3.406 -8.036 10.227 170 HB3 ARG 27 HB3 ARG 27 3.992 -8.199 11.874 171 HG2 ARG 27 HG2 ARG 27 1.166 -8.690 10.869 172 HG3 ARG 27 HG3 ARG 27 2.326 -9.904 11.358 173 HD2 ARG 27 HD2 ARG 27 2.149 -9.335 13.669 174 HD3 ARG 27 HD3 ARG 27 1.330 -7.795 13.317 175 HE ARG 27 HE ARG 27 -0.582 -9.086 12.424 176 HH11 ARG 27 HH11 ARG 27 1.304 -10.604 14.968 177 HH12 ARG 27 HH12 ARG 27 0.030 -11.735 15.325 178 HH21 ARG 27 HH21 ARG 27 -1.985 -10.673 12.737 179 HH22 ARG 27 HH22 ARG 27 -1.851 -11.724 14.136 180 H LEU 28 H LEU 28 2.754 -5.091 9.378 181 HA LEU 28 HA LEU 28 5.492 -3.908 9.633 182 HB2 LEU 28 HB2 LEU 28 4.924 -5.848 7.971 183 HB3 LEU 28 HB3 LEU 28 4.038 -4.634 7.063 184 HG LEU 28 HG LEU 28 6.147 -4.993 6.052 185 HD11 LEU 28 HD11 LEU 28 7.104 -2.876 5.906 186 HD12 LEU 28 HD12 LEU 28 6.571 -2.438 7.536 187 HD13 LEU 28 HD13 LEU 28 5.376 -2.626 6.231 188 HD21 LEU 28 HD21 LEU 28 7.360 -5.922 8.026 189 HD22 LEU 28 HD22 LEU 28 7.500 -4.277 8.699 190 HD23 LEU 28 HD23 LEU 28 8.306 -4.687 7.177 191 H SER 29 H SER 29 5.634 -1.690 9.283 192 HA SER 29 HA SER 29 3.107 -0.162 9.302 193 HB2 SER 29 HB2 SER 29 5.927 0.894 9.465 194 HB3 SER 29 HB3 SER 29 4.435 1.756 9.850 195 HG SER 29 HG SER 29 4.089 0.349 11.577 196 H ILE 30 H ILE 30 2.688 1.681 7.945 197 HA ILE 30 HA ILE 30 2.809 1.279 5.133 198 HB ILE 30 HB ILE 30 2.480 3.802 6.822 199 HG12 ILE 30 HG12 ILE 30 0.713 2.161 7.285 200 HG13 ILE 30 HG13 ILE 30 0.095 3.610 6.513 201 HG21 ILE 30 HG21 ILE 30 1.319 4.730 4.762 202 HG22 ILE 30 HG22 ILE 30 3.083 4.602 4.695 203 HG23 ILE 30 HG23 ILE 30 2.071 3.412 3.844 204 HD11 ILE 30 HD11 ILE 30 -0.037 2.420 4.342 205 HD12 ILE 30 HD12 ILE 30 0.569 0.938 5.124 206 HD13 ILE 30 HD13 ILE 30 -0.987 1.646 5.603 207 H GLU 31 H GLU 31 4.799 3.532 7.104 208 HA GLU 31 HA GLU 31 6.425 4.286 4.831 209 HB2 GLU 31 HB2 GLU 31 7.743 5.537 6.422 210 HB3 GLU 31 HB3 GLU 31 6.016 5.911 6.475 211 HG2 GLU 31 HG2 GLU 31 7.137 3.888 8.418 212 HG3 GLU 31 HG3 GLU 31 7.482 5.599 8.632 213 H GLN 32 H GLN 32 6.740 1.705 7.172 214 HA GLN 32 HA GLN 32 9.532 1.066 6.617 215 HB2 GLN 32 HB2 GLN 32 7.194 -0.438 7.795 216 HB3 GLN 32 HB3 GLN 32 8.781 -1.172 7.591 217 HG2 GLN 32 HG2 GLN 32 9.746 0.530 9.118 218 HG3 GLN 32 HG3 GLN 32 8.149 1.284 9.281 219 HE21 GLN 32 HE21 GLN 32 9.364 0.494 11.622 220 HE22 GLN 32 HE22 GLN 32 8.556 -0.944 12.230 221 H ALA 33 H ALA 33 6.326 -0.056 5.376 222 HA ALA 33 HA ALA 33 7.420 -1.869 3.435 223 HB1 ALA 33 HB1 ALA 33 5.099 -1.601 2.421 224 HB2 ALA 33 HB2 ALA 33 5.165 -2.175 4.089 225 HB3 ALA 33 HB3 ALA 33 4.757 -0.469 3.761 226 H VAL 34 H VAL 34 7.063 1.643 3.324 227 HA VAL 34 HA VAL 34 7.602 1.831 0.450 228 HB VAL 34 HB VAL 34 7.669 3.863 2.693 229 HG11 VAL 34 HG11 VAL 34 9.285 4.630 0.988 230 HG12 VAL 34 HG12 VAL 34 8.126 4.285 -0.304 231 HG13 VAL 34 HG13 VAL 34 7.813 5.588 0.868 232 HG21 VAL 34 HG21 VAL 34 5.422 3.034 1.996 233 HG22 VAL 34 HG22 VAL 34 5.677 4.737 1.594 234 HG23 VAL 34 HG23 VAL 34 5.789 3.486 0.336 235 H THR 35 H THR 35 9.627 2.185 3.470 236 HA THR 35 HA THR 35 11.959 2.685 1.905 237 HB THR 35 HB THR 35 11.531 3.234 4.370 238 HG1 THR 35 HG1 THR 35 13.750 3.365 4.674 239 HG21 THR 35 HG21 THR 35 11.345 0.910 5.246 240 HG22 THR 35 HG22 THR 35 12.637 1.837 6.007 241 HG23 THR 35 HG23 THR 35 13.022 0.615 4.780 242 H LEU 36 H LEU 36 10.556 -0.347 2.966 243 HA LEU 36 HA LEU 36 12.799 -1.963 1.996 244 HB2 LEU 36 HB2 LEU 36 9.968 -2.700 2.827 245 HB3 LEU 36 HB3 LEU 36 11.262 -3.849 2.461 246 HG LEU 36 HG LEU 36 11.275 -1.857 4.779 247 HD11 LEU 36 HD11 LEU 36 10.983 -4.883 4.716 248 HD12 LEU 36 HD12 LEU 36 9.690 -3.706 5.081 249 HD13 LEU 36 HD13 LEU 36 11.076 -3.861 6.171 250 HD21 LEU 36 HD21 LEU 36 13.279 -3.095 5.535 251 HD22 LEU 36 HD22 LEU 36 13.544 -2.192 4.051 252 HD23 LEU 36 HD23 LEU 36 13.306 -3.959 3.980 253 H LEU 37 H LEU 37 9.956 -0.580 0.508 254 HA LEU 37 HA LEU 37 10.078 -2.208 -1.925 255 HB2 LEU 37 HB2 LEU 37 8.005 -1.373 -1.190 256 HB3 LEU 37 HB3 LEU 37 8.583 0.281 -1.082 257 HG LEU 37 HG LEU 37 6.997 -0.310 -2.894 258 HD11 LEU 37 HD11 LEU 37 9.520 0.953 -4.006 259 HD12 LEU 37 HD12 LEU 37 8.414 1.775 -2.881 260 HD13 LEU 37 HD13 LEU 37 7.836 1.248 -4.466 261 HD21 LEU 37 HD21 LEU 37 7.779 -1.222 -4.985 262 HD22 LEU 37 HD22 LEU 37 7.990 -2.402 -3.676 263 HD23 LEU 37 HD23 LEU 37 9.385 -1.510 -4.311 264 H THR 38 H THR 38 10.727 1.259 -1.290 265 HA THR 38 HA THR 38 13.409 1.230 -2.287 266 HB THR 38 HB THR 38 11.324 2.618 -4.047 267 HG1 THR 38 HG1 THR 38 12.212 0.290 -4.293 268 HG21 THR 38 HG21 THR 38 13.280 4.134 -3.803 269 HG22 THR 38 HG22 THR 38 13.236 3.423 -5.415 270 HG23 THR 38 HG23 THR 38 14.366 2.793 -4.202 271 HA PRO 39 HA PRO 39 12.801 4.796 0.512 272 HB2 PRO 39 HB2 PRO 39 15.378 5.659 0.728 273 HB3 PRO 39 HB3 PRO 39 14.760 4.208 1.570 274 HG2 PRO 39 HG2 PRO 39 16.294 4.337 -1.042 275 HG3 PRO 39 HG3 PRO 39 16.592 3.259 0.358 276 HD2 PRO 39 HD2 PRO 39 15.185 2.442 -1.832 277 HD3 PRO 39 HD3 PRO 39 14.758 1.880 -0.189 278 H ARG 40 H ARG 40 12.070 6.731 -0.137 279 HA ARG 40 HA ARG 40 12.971 7.897 -2.755 280 HB2 ARG 40 HB2 ARG 40 10.183 7.248 -1.749 281 HB3 ARG 40 HB3 ARG 40 10.465 8.454 -3.014 282 HG2 ARG 40 HG2 ARG 40 11.449 6.877 -4.498 283 HG3 ARG 40 HG3 ARG 40 11.609 5.660 -3.239 284 HD2 ARG 40 HD2 ARG 40 9.787 5.073 -4.726 285 HD3 ARG 40 HD3 ARG 40 9.217 5.362 -3.079 286 HE ARG 40 HE ARG 40 7.903 7.107 -3.843 287 HH11 ARG 40 HH11 ARG 40 10.181 6.494 -6.453 288 HH12 ARG 40 HH12 ARG 40 9.385 7.650 -7.489 289 HH21 ARG 40 HH21 ARG 40 6.998 8.442 -5.112 290 HH22 ARG 40 HH22 ARG 40 7.564 8.744 -6.759 291 H ARG 41 H ARG 41 13.195 9.985 -2.949 292 HA ARG 41 HA ARG 41 12.993 11.760 -0.566 293 HB2 ARG 41 HB2 ARG 41 14.279 12.147 -3.285 294 HB3 ARG 41 HB3 ARG 41 14.263 13.329 -1.964 295 HG2 ARG 41 HG2 ARG 41 15.301 11.561 -0.457 296 HG3 ARG 41 HG3 ARG 41 15.539 10.551 -1.906 297 HD2 ARG 41 HD2 ARG 41 16.599 13.375 -1.510 298 HD3 ARG 41 HD3 ARG 41 17.526 11.902 -1.216 299 HE ARG 41 HE ARG 41 17.372 11.335 -3.593 300 HH11 ARG 41 HH11 ARG 41 16.646 14.710 -2.923 301 HH12 ARG 41 HH12 ARG 41 16.990 15.190 -4.559 302 HH21 ARG 41 HH21 ARG 41 17.827 12.026 -5.638 303 HH22 ARG 41 HH22 ARG 41 17.648 13.714 -6.048 304 H GLY 42 H GLY 42 11.537 11.477 -3.780 305 HA2 GLY 42 HA2 GLY 42 9.841 13.870 -3.457 306 HA3 GLY 42 HA3 GLY 42 9.904 12.781 -4.835 307 H GLY 43 H GLY 43 9.572 10.808 -2.165 308 HA2 GLY 43 HA2 GLY 43 6.682 10.381 -2.648 309 HA3 GLY 43 HA3 GLY 43 7.803 9.308 -1.806 310 H GLY 44 H GLY 44 5.754 9.246 -0.479 311 HA2 GLY 44 HA2 GLY 44 4.996 9.471 1.709 312 HA3 GLY 44 HA3 GLY 44 6.269 10.635 2.037 313 H SER 45 H SER 45 4.540 11.628 3.327 314 HA SER 45 HA SER 45 2.182 12.800 2.277 315 HB2 SER 45 HB2 SER 45 3.903 13.741 4.602 316 HB3 SER 45 HB3 SER 45 2.227 14.206 4.286 317 HG SER 45 HG SER 45 2.392 12.501 5.815 318 H GLY 46 H GLY 46 1.799 14.524 1.037 319 HA2 GLY 46 HA2 GLY 46 2.072 16.518 -0.119 320 HA3 GLY 46 HA3 GLY 46 3.523 16.871 0.815 321 H GLY 47 H GLY 47 3.817 13.791 -0.568 322 HA2 GLY 47 HA2 GLY 47 5.800 14.601 -2.563 323 HA3 GLY 47 HA3 GLY 47 5.298 12.974 -2.140 324 H GLY 48 H GLY 48 5.606 12.837 -4.530 325 HA2 GLY 48 HA2 GLY 48 3.740 13.963 -6.395 326 HA3 GLY 48 HA3 GLY 48 4.779 12.578 -6.678 327 H SER 49 H SER 49 2.345 12.642 -7.860 328 HA SER 49 HA SER 49 0.328 11.165 -6.378 329 HB2 SER 49 HB2 SER 49 -0.813 11.027 -8.580 330 HB3 SER 49 HB3 SER 49 -0.398 12.670 -8.084 331 HG SER 49 HG SER 49 0.123 12.255 -10.286 332 H MET 50 H MET 50 -0.406 9.055 -6.780 333 HA MET 50 HA MET 50 0.007 6.846 -6.545 334 HB2 MET 50 HB2 MET 50 1.128 7.195 -9.351 335 HB3 MET 50 HB3 MET 50 0.747 5.649 -8.584 336 HG2 MET 50 HG2 MET 50 -1.113 6.038 -9.851 337 HG3 MET 50 HG3 MET 50 -1.608 6.483 -8.217 338 HE1 MET 50 HE1 MET 50 -3.254 7.126 -10.846 339 HE2 MET 50 HE2 MET 50 -3.791 7.595 -9.215 340 HE3 MET 50 HE3 MET 50 -3.776 8.789 -10.533 341 H ASP 51 H ASP 51 1.796 8.233 -5.103 342 HA ASP 51 HA ASP 51 4.454 7.025 -5.303 343 HB2 ASP 51 HB2 ASP 51 4.068 9.242 -4.309 344 HB3 ASP 51 HB3 ASP 51 3.052 8.513 -3.046 345 H ALA 52 H ALA 52 5.358 5.523 -3.781 346 HA ALA 52 HA ALA 52 3.777 3.234 -3.249 347 HB1 ALA 52 HB1 ALA 52 5.720 2.450 -1.954 348 HB2 ALA 52 HB2 ALA 52 6.211 3.145 -3.513 349 HB3 ALA 52 HB3 ALA 52 6.422 4.085 -2.011 350 H LYS 53 H LYS 53 4.430 6.046 -1.094 351 HA LYS 53 HA LYS 53 3.355 4.846 1.299 352 HB2 LYS 53 HB2 LYS 53 4.798 6.930 1.054 353 HB3 LYS 53 HB3 LYS 53 3.369 7.825 0.572 354 HG2 LYS 53 HG2 LYS 53 3.503 6.242 3.151 355 HG3 LYS 53 HG3 LYS 53 4.152 7.875 3.053 356 HD2 LYS 53 HD2 LYS 53 1.978 8.816 2.553 357 HD3 LYS 53 HD3 LYS 53 1.252 7.213 2.439 358 HE2 LYS 53 HE2 LYS 53 2.079 6.826 4.852 359 HE3 LYS 53 HE3 LYS 53 2.323 8.574 4.922 360 HZ1 LYS 53 HZ1 LYS 53 -0.046 8.841 4.352 361 HZ2 LYS 53 HZ2 LYS 53 0.096 7.928 5.703 362 HZ3 LYS 53 HZ3 LYS 53 -0.246 7.217 4.270 363 H GLU 54 H GLU 54 1.860 6.919 -1.144 364 HA GLU 54 HA GLU 54 -0.803 6.923 -0.103 365 HB2 GLU 54 HB2 GLU 54 0.120 8.515 -1.799 366 HB3 GLU 54 HB3 GLU 54 0.208 7.213 -2.963 367 HG2 GLU 54 HG2 GLU 54 -1.710 8.538 -3.457 368 HG3 GLU 54 HG3 GLU 54 -2.247 6.954 -2.916 369 H ILE 55 H ILE 55 0.780 4.735 -2.482 370 HA ILE 55 HA ILE 55 -1.480 3.076 -3.019 371 HB ILE 55 HB ILE 55 1.506 2.565 -3.157 372 HG12 ILE 55 HG12 ILE 55 -0.433 2.884 -5.483 373 HG13 ILE 55 HG13 ILE 55 0.255 4.305 -4.702 374 HG21 ILE 55 HG21 ILE 55 -0.813 0.809 -4.062 375 HG22 ILE 55 HG22 ILE 55 0.814 0.618 -4.692 376 HG23 ILE 55 HG23 ILE 55 0.514 0.368 -2.965 377 HD11 ILE 55 HD11 ILE 55 2.533 3.567 -5.224 378 HD12 ILE 55 HD12 ILE 55 1.915 2.086 -5.962 379 HD13 ILE 55 HD13 ILE 55 1.544 3.661 -6.686 380 H LEU 56 H LEU 56 1.156 2.637 -0.569 381 HA LEU 56 HA LEU 56 -0.006 0.308 0.626 382 HB2 LEU 56 HB2 LEU 56 2.062 2.342 1.424 383 HB3 LEU 56 HB3 LEU 56 1.309 1.441 2.715 384 HG LEU 56 HG LEU 56 3.271 0.341 2.287 385 HD11 LEU 56 HD11 LEU 56 2.671 -1.885 1.723 386 HD12 LEU 56 HD12 LEU 56 1.301 -1.369 0.734 387 HD13 LEU 56 HD13 LEU 56 1.248 -1.154 2.505 388 HD21 LEU 56 HD21 LEU 56 2.586 0.332 -0.652 389 HD22 LEU 56 HD22 LEU 56 3.949 -0.559 0.090 390 HD23 LEU 56 HD23 LEU 56 3.907 1.202 0.172 391 H THR 57 H THR 57 -0.532 3.773 1.330 392 HA THR 57 HA THR 57 -2.134 3.411 3.659 393 HB THR 57 HB THR 57 -2.255 5.662 1.611 394 HG1 THR 57 HG1 THR 57 -0.242 5.410 2.599 395 HG21 THR 57 HG21 THR 57 -3.111 7.012 3.500 396 HG22 THR 57 HG22 THR 57 -3.240 5.534 4.481 397 HG23 THR 57 HG23 THR 57 -4.244 5.739 3.023 398 H ARG 58 H ARG 58 -3.132 3.651 0.190 399 HA ARG 58 HA ARG 58 -5.958 3.202 0.709 400 HB2 ARG 58 HB2 ARG 58 -4.306 2.785 -1.818 401 HB3 ARG 58 HB3 ARG 58 -6.073 2.738 -1.712 402 HG2 ARG 58 HG2 ARG 58 -6.190 5.076 -1.070 403 HG3 ARG 58 HG3 ARG 58 -4.432 5.193 -1.014 404 HD2 ARG 58 HD2 ARG 58 -4.365 4.542 -3.462 405 HD3 ARG 58 HD3 ARG 58 -6.142 4.627 -3.466 406 HE ARG 58 HE ARG 58 -4.769 7.033 -2.458 407 HH11 ARG 58 HH11 ARG 58 -5.977 5.617 -5.448 408 HH12 ARG 58 HH12 ARG 58 -6.012 7.174 -6.225 409 HH21 ARG 58 HH21 ARG 58 -4.808 8.841 -3.447 410 HH22 ARG 58 HH22 ARG 58 -5.348 9.005 -5.124 411 H PHE 59 H PHE 59 -3.286 0.931 -0.043 412 HA PHE 59 HA PHE 59 -4.930 -1.415 -0.199 413 HB2 PHE 59 HB2 PHE 59 -2.675 -1.326 -1.112 414 HB3 PHE 59 HB3 PHE 59 -1.997 -1.010 0.480 415 HD1 PHE 59 HD1 PHE 59 -4.081 -3.582 -1.342 416 HD2 PHE 59 HD2 PHE 59 -1.262 -2.798 1.825 417 HE1 PHE 59 HE1 PHE 59 -3.964 -6.016 -0.837 418 HE2 PHE 59 HE2 PHE 59 -1.142 -5.221 2.307 419 HZ PHE 59 HZ PHE 59 -2.483 -6.836 0.979 420 H LYS 60 H LYS 60 -3.220 0.049 2.616 421 HA LYS 60 HA LYS 60 -4.096 -2.046 4.384 422 HB2 LYS 60 HB2 LYS 60 -2.075 -0.543 4.689 423 HB3 LYS 60 HB3 LYS 60 -3.193 0.727 5.218 424 HG2 LYS 60 HG2 LYS 60 -4.004 -0.801 7.047 425 HG3 LYS 60 HG3 LYS 60 -2.887 -2.055 6.466 426 HD2 LYS 60 HD2 LYS 60 -0.976 -0.505 6.939 427 HD3 LYS 60 HD3 LYS 60 -2.132 0.676 7.601 428 HE2 LYS 60 HE2 LYS 60 -2.893 -0.984 9.270 429 HE3 LYS 60 HE3 LYS 60 -1.780 -2.181 8.602 430 HZ1 LYS 60 HZ1 LYS 60 -0.961 0.391 9.849 431 HZ2 LYS 60 HZ2 LYS 60 0.067 -0.763 9.283 432 HZ3 LYS 60 HZ3 LYS 60 -0.886 -1.066 10.575 433 H ASP 61 H ASP 61 -5.476 1.101 3.549 434 HA ASP 61 HA ASP 61 -7.672 1.009 5.418 435 HB2 ASP 61 HB2 ASP 61 -6.784 3.059 4.327 436 HB3 ASP 61 HB3 ASP 61 -7.340 2.460 2.762 437 H GLY 62 H GLY 62 -7.084 -0.874 2.621 438 HA2 GLY 62 HA2 GLY 62 -8.346 -2.554 1.667 439 HA3 GLY 62 HA3 GLY 62 -9.734 -2.100 2.666 440 H GLY 63 H GLY 63 -8.535 0.614 1.013 441 HA2 GLY 63 HA2 GLY 63 -10.764 0.756 -0.888 442 HA3 GLY 63 HA3 GLY 63 -9.501 1.957 -0.617 443 H LEU 64 H LEU 64 -7.544 -0.482 -0.980 444 HA LEU 64 HA LEU 64 -7.603 -0.661 -3.960 445 HB2 LEU 64 HB2 LEU 64 -5.813 0.849 -2.836 446 HB3 LEU 64 HB3 LEU 64 -5.099 -0.629 -2.227 447 HG LEU 64 HG LEU 64 -4.854 -1.407 -4.628 448 HD11 LEU 64 HD11 LEU 64 -4.895 0.403 -6.356 449 HD12 LEU 64 HD12 LEU 64 -5.596 1.510 -5.153 450 HD13 LEU 64 HD13 LEU 64 -6.510 0.084 -5.718 451 HD21 LEU 64 HD21 LEU 64 -2.915 0.040 -5.061 452 HD22 LEU 64 HD22 LEU 64 -2.989 -0.426 -3.353 453 HD23 LEU 64 HD23 LEU 64 -3.495 1.206 -3.845 454 H ASP 65 H ASP 65 -7.404 -2.653 -4.826 455 HA ASP 65 HA ASP 65 -7.420 -5.026 -3.123 456 HB2 ASP 65 HB2 ASP 65 -7.306 -4.887 -6.145 457 HB3 ASP 65 HB3 ASP 65 -7.756 -6.274 -5.159 458 H ARG 66 H ARG 66 -5.927 -6.819 -3.321 459 HA ARG 66 HA ARG 66 -3.186 -6.084 -3.111 460 HB2 ARG 66 HB2 ARG 66 -4.219 -8.074 -2.062 461 HB3 ARG 66 HB3 ARG 66 -4.409 -8.827 -3.654 462 HG2 ARG 66 HG2 ARG 66 -1.951 -8.842 -3.965 463 HG3 ARG 66 HG3 ARG 66 -1.731 -8.030 -2.399 464 HD2 ARG 66 HD2 ARG 66 -3.090 -10.745 -2.726 465 HD3 ARG 66 HD3 ARG 66 -1.369 -10.544 -2.467 466 HE ARG 66 HE ARG 66 -3.486 -9.636 -0.545 467 HH11 ARG 66 HH11 ARG 66 -0.317 -11.151 -0.978 468 HH12 ARG 66 HH12 ARG 66 0.004 -11.057 0.740 469 HH21 ARG 66 HH21 ARG 66 -3.000 -9.843 1.655 470 HH22 ARG 66 HH22 ARG 66 -1.455 -10.554 2.086 471 H ALA 67 H ALA 67 -4.931 -7.391 -5.930 472 HA ALA 67 HA ALA 67 -2.668 -7.732 -7.629 473 HB1 ALA 67 HB1 ALA 67 -4.352 -7.716 -9.438 474 HB2 ALA 67 HB2 ALA 67 -4.894 -8.708 -8.065 475 HB3 ALA 67 HB3 ALA 67 -5.572 -7.073 -8.309 476 H ALA 68 H ALA 68 -4.747 -4.871 -7.058 477 HA ALA 68 HA ALA 68 -3.362 -3.172 -8.967 478 HB1 ALA 68 HB1 ALA 68 -5.255 -2.489 -6.673 479 HB2 ALA 68 HB2 ALA 68 -4.721 -1.396 -7.969 480 HB3 ALA 68 HB3 ALA 68 -5.720 -2.812 -8.358 481 H ALA 69 H ALA 69 -3.105 -3.645 -5.393 482 HA ALA 69 HA ALA 69 -1.136 -1.653 -4.940 483 HB1 ALA 69 HB1 ALA 69 -0.662 -2.885 -2.893 484 HB2 ALA 69 HB2 ALA 69 -2.410 -2.803 -3.170 485 HB3 ALA 69 HB3 ALA 69 -1.530 -4.312 -3.504 486 H GLN 70 H GLN 70 -0.666 -5.125 -5.812 487 HA GLN 70 HA GLN 70 2.197 -5.010 -5.954 488 HB2 GLN 70 HB2 GLN 70 0.174 -6.801 -7.351 489 HB3 GLN 70 HB3 GLN 70 1.938 -7.015 -7.443 490 HG2 GLN 70 HG2 GLN 70 2.094 -7.337 -5.046 491 HG3 GLN 70 HG3 GLN 70 0.376 -7.029 -4.824 492 HE21 GLN 70 HE21 GLN 70 0.958 -9.268 -3.699 493 HE22 GLN 70 HE22 GLN 70 0.625 -10.664 -4.703 494 H ALA 71 H ALA 71 -0.291 -4.518 -8.532 495 HA ALA 71 HA ALA 71 1.482 -4.144 -10.687 496 HB1 ALA 71 HB1 ALA 71 -0.435 -3.027 -11.759 497 HB2 ALA 71 HB2 ALA 71 -0.943 -4.507 -10.921 498 HB3 ALA 71 HB3 ALA 71 -1.263 -2.910 -10.193 499 H LEU 72 H LEU 72 -0.028 -1.610 -8.630 500 HA LEU 72 HA LEU 72 1.242 0.575 -9.932 501 HB2 LEU 72 HB2 LEU 72 -0.275 0.160 -7.340 502 HB3 LEU 72 HB3 LEU 72 0.420 1.716 -7.732 503 HG LEU 72 HG LEU 72 -1.008 2.192 -9.430 504 HD11 LEU 72 HD11 LEU 72 -2.527 0.733 -10.634 505 HD12 LEU 72 HD12 LEU 72 -1.927 -0.681 -9.749 506 HD13 LEU 72 HD13 LEU 72 -0.859 0.205 -10.868 507 HD21 LEU 72 HD21 LEU 72 -3.266 1.774 -8.600 508 HD22 LEU 72 HD22 LEU 72 -2.171 2.024 -7.225 509 HD23 LEU 72 HD23 LEU 72 -2.682 0.375 -7.672 510 H LEU 73 H LEU 73 2.282 -1.332 -7.072 511 HA LEU 73 HA LEU 73 4.583 0.378 -6.508 512 HB2 LEU 73 HB2 LEU 73 3.876 -2.483 -5.753 513 HB3 LEU 73 HB3 LEU 73 5.344 -1.673 -5.227 514 HG LEU 73 HG LEU 73 2.494 -0.810 -4.559 515 HD11 LEU 73 HD11 LEU 73 4.696 -1.993 -2.832 516 HD12 LEU 73 HD12 LEU 73 3.225 -2.829 -3.384 517 HD13 LEU 73 HD13 LEU 73 3.092 -1.465 -2.266 518 HD21 LEU 73 HD21 LEU 73 5.115 0.450 -3.734 519 HD22 LEU 73 HD22 LEU 73 3.541 0.753 -2.951 520 HD23 LEU 73 HD23 LEU 73 3.792 1.207 -4.640 521 H ALA 74 H ALA 74 4.077 -2.470 -8.563 522 HA ALA 74 HA ALA 74 6.884 -2.664 -9.319 523 HB1 ALA 74 HB1 ALA 74 5.394 -4.627 -9.138 524 HB2 ALA 74 HB2 ALA 74 4.412 -3.991 -10.481 525 HB3 ALA 74 HB3 ALA 74 6.101 -4.479 -10.759 526 H GLY 75 H GLY 75 4.644 -0.359 -10.265 527 HA2 GLY 75 HA2 GLY 75 4.772 1.263 -11.905 528 HA3 GLY 75 HA3 GLY 75 6.220 0.494 -12.563 529 H ARG 76 H ARG 76 3.224 -1.283 -12.155 530 HA ARG 76 HA ARG 76 2.607 -1.332 -15.106 531 HB2 ARG 76 HB2 ARG 76 2.329 -3.576 -13.052 532 HB3 ARG 76 HB3 ARG 76 1.895 -3.682 -14.754 533 HG2 ARG 76 HG2 ARG 76 4.747 -3.316 -13.719 534 HG3 ARG 76 HG3 ARG 76 3.990 -4.838 -14.148 535 HD2 ARG 76 HD2 ARG 76 5.310 -4.251 -16.011 536 HD3 ARG 76 HD3 ARG 76 3.625 -3.974 -16.486 537 HE ARG 76 HE ARG 76 4.780 -1.564 -15.428 538 HH11 ARG 76 HH11 ARG 76 4.906 -3.453 -18.386 539 HH12 ARG 76 HH12 ARG 76 5.255 -2.041 -19.355 540 HH21 ARG 76 HH21 ARG 76 5.171 0.134 -16.680 541 HH22 ARG 76 HH22 ARG 76 5.404 -0.039 -18.406 542 H THR 77 H THR 77 0.293 -2.286 -15.374 543 HA THR 77 HA THR 77 -1.574 -1.003 -13.421 544 HB THR 77 HB THR 77 -3.210 -0.869 -15.299 545 HG1 THR 77 HG1 THR 77 -2.368 -0.933 -17.388 546 HG21 THR 77 HG21 THR 77 -2.256 1.167 -16.266 547 HG22 THR 77 HG22 THR 77 -0.624 0.710 -15.719 548 HG23 THR 77 HG23 THR 77 -1.898 1.095 -14.537 549 HA PRO 78 HA PRO 78 -3.120 -5.061 -12.696 550 HB2 PRO 78 HB2 PRO 78 -5.614 -4.604 -11.683 551 HB3 PRO 78 HB3 PRO 78 -4.106 -4.224 -10.808 552 HG2 PRO 78 HG2 PRO 78 -5.821 -2.332 -12.460 553 HG3 PRO 78 HG3 PRO 78 -5.168 -2.081 -10.805 554 HD2 PRO 78 HD2 PRO 78 -3.943 -1.076 -13.024 555 HD3 PRO 78 HD3 PRO 78 -2.986 -1.703 -11.647 556 H ALA 79 H ALA 79 -4.372 -6.713 -13.563 557 HA ALA 79 HA ALA 79 -5.291 -6.468 -16.244 558 HB1 ALA 79 HB1 ALA 79 -4.422 -8.552 -15.264 559 HB2 ALA 79 HB2 ALA 79 -5.832 -8.640 -14.176 560 HB3 ALA 79 HB3 ALA 79 -6.048 -8.790 -15.930 561 H ALA 80 H ALA 80 -7.261 -6.256 -17.161 562 HA ALA 80 HA ALA 80 -9.258 -5.375 -17.518 563 HB1 ALA 80 HB1 ALA 80 -11.166 -6.342 -16.402 564 HB2 ALA 80 HB2 ALA 80 -9.934 -7.584 -16.654 565 HB3 ALA 80 HB3 ALA 80 -10.163 -6.872 -15.036 566 H ALA 81 H ALA 81 -7.461 -3.922 -15.406 567 HA ALA 81 HA ALA 81 -7.497 -2.041 -14.148 568 HB1 ALA 81 HB1 ALA 81 -8.182 -0.129 -15.500 569 HB2 ALA 81 HB2 ALA 81 -7.375 -1.367 -16.484 570 HB3 ALA 81 HB3 ALA 81 -9.145 -1.186 -16.542 571 HA PRO 82 HA PRO 82 -11.685 -2.243 -12.080 572 HB2 PRO 82 HB2 PRO 82 -11.031 -3.384 -9.696 573 HB3 PRO 82 HB3 PRO 82 -11.262 -4.340 -11.188 574 HG2 PRO 82 HG2 PRO 82 -8.625 -3.325 -10.056 575 HG3 PRO 82 HG3 PRO 82 -9.049 -5.007 -10.536 576 HD2 PRO 82 HD2 PRO 82 -7.754 -3.339 -12.232 577 HD3 PRO 82 HD3 PRO 82 -8.999 -4.477 -12.815 578 H ARG 83 H ARG 83 -11.042 0.030 -12.453 579 HA ARG 83 HA ARG 83 -10.646 2.202 -11.867 580 HB2 ARG 83 HB2 ARG 83 -11.917 1.300 -9.263 581 HB3 ARG 83 HB3 ARG 83 -11.780 2.970 -9.826 582 HG2 ARG 83 HG2 ARG 83 -13.188 2.450 -11.787 583 HG3 ARG 83 HG3 ARG 83 -13.354 0.769 -11.237 584 HD2 ARG 83 HD2 ARG 83 -14.397 1.546 -9.132 585 HD3 ARG 83 HD3 ARG 83 -14.232 3.218 -9.647 586 HE ARG 83 HE ARG 83 -16.161 1.205 -10.629 587 HH11 ARG 83 HH11 ARG 83 -14.879 4.424 -11.202 588 HH12 ARG 83 HH12 ARG 83 -16.275 4.899 -12.135 589 HH21 ARG 83 HH21 ARG 83 -17.899 1.896 -11.806 590 HH22 ARG 83 HH22 ARG 83 -17.927 3.507 -12.460 591 HA PRO 84 HA PRO 84 -6.686 1.564 -9.362 592 HB2 PRO 84 HB2 PRO 84 -4.858 1.938 -11.377 593 HB3 PRO 84 HB3 PRO 84 -5.523 0.340 -10.934 594 HG2 PRO 84 HG2 PRO 84 -6.437 2.196 -13.160 595 HG3 PRO 84 HG3 PRO 84 -6.101 0.443 -13.257 596 HD2 PRO 84 HD2 PRO 84 -8.625 1.394 -12.959 597 HD3 PRO 84 HD3 PRO 84 -8.091 -0.101 -12.136 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 31.805 -20.140 -20.360 2 H2 GLY 1 H2 GLY 1 30.232 -19.758 -20.614 3 H3 GLY 1 H3 GLY 1 30.713 -21.323 -20.702 4 HA2 GLY 1 HA2 GLY 1 31.259 -21.355 -18.358 5 HA3 GLY 1 HA3 GLY 1 30.719 -19.666 -18.261 6 HA PRO 2 HA PRO 2 27.132 -22.547 -17.331 7 HB2 PRO 2 HB2 PRO 2 26.548 -21.699 -14.803 8 HB3 PRO 2 HB3 PRO 2 27.815 -22.913 -15.157 9 HG2 PRO 2 HG2 PRO 2 28.161 -19.917 -14.726 10 HG3 PRO 2 HG3 PRO 2 29.070 -21.263 -13.953 11 HD2 PRO 2 HD2 PRO 2 30.056 -19.948 -16.122 12 HD3 PRO 2 HD3 PRO 2 30.284 -21.709 -15.924 13 H GLY 3 H GLY 3 24.867 -21.977 -16.992 14 HA2 GLY 3 HA2 GLY 3 24.064 -19.585 -18.388 15 HA3 GLY 3 HA3 GLY 3 22.996 -20.756 -17.612 16 H SER 4 H SER 4 22.992 -17.776 -17.688 17 HA SER 4 HA SER 4 23.521 -16.758 -15.027 18 HB2 SER 4 HB2 SER 4 21.823 -15.588 -17.263 19 HB3 SER 4 HB3 SER 4 22.392 -14.731 -15.822 20 HG SER 4 HG SER 4 23.749 -14.339 -17.623 21 H TYR 5 H TYR 5 21.948 -15.831 -13.582 22 HA TYR 5 HA TYR 5 19.301 -17.215 -13.525 23 HB2 TYR 5 HB2 TYR 5 19.435 -17.424 -11.168 24 HB3 TYR 5 HB3 TYR 5 20.862 -18.145 -11.879 25 HD1 TYR 5 HD2 TYR 5 23.102 -17.090 -11.591 26 HD2 TYR 5 HD1 TYR 5 19.562 -15.425 -9.775 27 HE1 TYR 5 HE2 TYR 5 24.529 -15.673 -10.109 28 HE2 TYR 5 HE1 TYR 5 21.002 -14.014 -8.289 29 HH TYR 5 HH TYR 5 24.588 -14.115 -8.448 30 H THR 6 H THR 6 17.562 -16.099 -12.473 31 HA THR 6 HA THR 6 17.552 -13.293 -13.339 32 HB THR 6 HB THR 6 15.083 -13.555 -13.189 33 HG1 THR 6 HG1 THR 6 14.273 -15.625 -12.766 34 HG21 THR 6 HG21 THR 6 14.860 -15.101 -15.053 35 HG22 THR 6 HG22 THR 6 16.442 -15.842 -14.696 36 HG23 THR 6 HG23 THR 6 16.349 -14.168 -15.265 37 H GLY 7 H GLY 7 17.595 -14.870 -10.275 38 HA2 GLY 7 HA2 GLY 7 16.121 -13.101 -8.655 39 HA3 GLY 7 HA3 GLY 7 17.476 -14.096 -8.117 40 H ALA 8 H ALA 8 19.274 -12.509 -10.072 41 HA ALA 8 HA ALA 8 19.961 -10.285 -8.291 42 HB1 ALA 8 HB1 ALA 8 21.695 -11.704 -9.323 43 HB2 ALA 8 HB2 ALA 8 21.137 -11.229 -10.947 44 HB3 ALA 8 HB3 ALA 8 21.861 -10.025 -9.861 45 H GLY 9 H GLY 9 17.755 -10.582 -10.852 46 HA2 GLY 9 HA2 GLY 9 18.028 -7.838 -11.929 47 HA3 GLY 9 HA3 GLY 9 16.936 -9.107 -12.459 48 H GLU 10 H GLU 10 15.089 -7.951 -12.458 49 HA GLU 10 HA GLU 10 14.207 -6.113 -10.457 50 HB2 GLU 10 HB2 GLU 10 12.677 -7.594 -12.635 51 HB3 GLU 10 HB3 GLU 10 12.023 -6.270 -11.677 52 HG2 GLU 10 HG2 GLU 10 13.741 -4.733 -12.564 53 HG3 GLU 10 HG3 GLU 10 14.473 -6.052 -13.492 54 HA PRO 11 HA PRO 11 12.335 -8.848 -7.451 55 HB2 PRO 11 HB2 PRO 11 10.443 -7.262 -6.282 56 HB3 PRO 11 HB3 PRO 11 12.202 -6.995 -6.073 57 HG2 PRO 11 HG2 PRO 11 10.337 -5.622 -8.044 58 HG3 PRO 11 HG3 PRO 11 11.509 -4.866 -6.916 59 HD2 PRO 11 HD2 PRO 11 12.128 -5.330 -9.525 60 HD3 PRO 11 HD3 PRO 11 13.356 -5.541 -8.234 61 H SER 12 H SER 12 10.466 -10.058 -6.951 62 HA SER 12 HA SER 12 8.571 -10.422 -9.216 63 HB2 SER 12 HB2 SER 12 9.903 -12.343 -8.524 64 HB3 SER 12 HB3 SER 12 9.287 -12.205 -6.864 65 HG SER 12 HG SER 12 8.216 -13.767 -8.308 66 H GLN 13 H GLN 13 6.366 -10.842 -8.856 67 HA GLN 13 HA GLN 13 4.910 -9.312 -6.909 68 HB2 GLN 13 HB2 GLN 13 2.984 -10.580 -7.613 69 HB3 GLN 13 HB3 GLN 13 3.918 -10.016 -9.003 70 HG2 GLN 13 HG2 GLN 13 4.913 -12.322 -9.212 71 HG3 GLN 13 HG3 GLN 13 3.924 -12.845 -7.855 72 HE21 GLN 13 HE21 GLN 13 3.486 -14.401 -9.900 73 HE22 GLN 13 HE22 GLN 13 2.030 -13.965 -10.786 74 H ALA 14 H ALA 14 6.480 -12.470 -6.720 75 HA ALA 14 HA ALA 14 5.083 -13.336 -4.329 76 HB1 ALA 14 HB1 ALA 14 7.758 -14.191 -5.529 77 HB2 ALA 14 HB2 ALA 14 6.841 -15.070 -4.289 78 HB3 ALA 14 HB3 ALA 14 6.171 -14.893 -5.925 79 H ASP 15 H ASP 15 7.907 -11.299 -4.887 80 HA ASP 15 HA ASP 15 8.738 -11.248 -2.076 81 HB2 ASP 15 HB2 ASP 15 9.487 -9.273 -4.258 82 HB3 ASP 15 HB3 ASP 15 10.304 -9.537 -2.717 83 H LEU 16 H LEU 16 6.758 -9.327 -4.198 84 HA LEU 16 HA LEU 16 6.142 -7.221 -2.303 85 HB2 LEU 16 HB2 LEU 16 4.695 -8.212 -4.792 86 HB3 LEU 16 HB3 LEU 16 4.183 -6.810 -3.860 87 HG LEU 16 HG LEU 16 6.952 -6.969 -5.088 88 HD11 LEU 16 HD11 LEU 16 4.429 -5.745 -6.279 89 HD12 LEU 16 HD12 LEU 16 5.315 -7.155 -6.902 90 HD13 LEU 16 HD13 LEU 16 6.081 -5.569 -6.914 91 HD21 LEU 16 HD21 LEU 16 5.227 -4.633 -4.162 92 HD22 LEU 16 HD22 LEU 16 6.846 -4.517 -4.880 93 HD23 LEU 16 HD23 LEU 16 6.638 -5.288 -3.299 94 H ASP 17 H ASP 17 4.351 -10.202 -3.252 95 HA ASP 17 HA ASP 17 2.123 -9.896 -1.583 96 HB2 ASP 17 HB2 ASP 17 2.446 -11.590 -3.398 97 HB3 ASP 17 HB3 ASP 17 3.585 -12.454 -2.361 98 H ALA 18 H ALA 18 5.313 -11.287 -0.751 99 HA ALA 18 HA ALA 18 4.623 -12.194 1.906 100 HB1 ALA 18 HB1 ALA 18 6.566 -13.020 0.626 101 HB2 ALA 18 HB2 ALA 18 7.304 -11.407 0.681 102 HB3 ALA 18 HB3 ALA 18 7.072 -12.330 2.183 103 H LEU 19 H LEU 19 5.895 -9.105 0.655 104 HA LEU 19 HA LEU 19 6.343 -7.891 3.246 105 HB2 LEU 19 HB2 LEU 19 7.526 -7.482 1.059 106 HB3 LEU 19 HB3 LEU 19 6.107 -6.619 0.473 107 HG LEU 19 HG LEU 19 7.688 -5.827 2.968 108 HD11 LEU 19 HD11 LEU 19 9.162 -5.807 0.998 109 HD12 LEU 19 HD12 LEU 19 8.804 -4.157 1.529 110 HD13 LEU 19 HD13 LEU 19 7.981 -4.825 0.103 111 HD21 LEU 19 HD21 LEU 19 5.715 -4.294 1.202 112 HD22 LEU 19 HD22 LEU 19 6.748 -3.562 2.446 113 HD23 LEU 19 HD23 LEU 19 5.506 -4.719 2.924 114 H LEU 20 H LEU 20 3.776 -7.670 0.778 115 HA LEU 20 HA LEU 20 2.138 -5.734 2.062 116 HB2 LEU 20 HB2 LEU 20 1.569 -7.918 0.075 117 HB3 LEU 20 HB3 LEU 20 0.358 -6.720 0.499 118 HG LEU 20 HG LEU 20 3.079 -5.864 -0.569 119 HD11 LEU 20 HD11 LEU 20 2.107 -5.658 -2.782 120 HD12 LEU 20 HD12 LEU 20 0.559 -6.299 -2.197 121 HD13 LEU 20 HD13 LEU 20 1.995 -7.344 -2.252 122 HD21 LEU 20 HD21 LEU 20 1.672 -4.149 0.576 123 HD22 LEU 20 HD22 LEU 20 0.377 -4.480 -0.602 124 HD23 LEU 20 HD23 LEU 20 1.937 -3.823 -1.146 125 H SER 21 H SER 21 2.025 -9.335 2.331 126 HA SER 21 HA SER 21 -0.262 -9.418 4.049 127 HB2 SER 21 HB2 SER 21 2.102 -11.285 3.686 128 HB3 SER 21 HB3 SER 21 0.840 -11.586 4.901 129 HG SER 21 HG SER 21 0.278 -12.615 2.996 130 H ALA 22 H ALA 22 3.130 -8.603 4.824 131 HA ALA 22 HA ALA 22 2.724 -8.865 7.687 132 HB1 ALA 22 HB1 ALA 22 4.935 -9.066 6.564 133 HB2 ALA 22 HB2 ALA 22 4.872 -7.341 6.153 134 HB3 ALA 22 HB3 ALA 22 4.924 -7.868 7.859 135 H VAL 23 H VAL 23 2.393 -6.157 5.328 136 HA VAL 23 HA VAL 23 1.825 -4.267 7.538 137 HB VAL 23 HB VAL 23 3.058 -3.386 5.754 138 HG11 VAL 23 HG11 VAL 23 2.253 -3.124 3.494 139 HG12 VAL 23 HG12 VAL 23 2.446 -4.808 3.947 140 HG13 VAL 23 HG13 VAL 23 0.805 -4.096 3.865 141 HG21 VAL 23 HG21 VAL 23 1.861 -1.399 5.215 142 HG22 VAL 23 HG22 VAL 23 0.283 -2.186 5.437 143 HG23 VAL 23 HG23 VAL 23 1.341 -1.889 6.826 144 H ARG 24 H ARG 24 -0.111 -6.069 5.173 145 HA ARG 24 HA ARG 24 -2.604 -4.843 5.921 146 HB2 ARG 24 HB2 ARG 24 -1.953 -6.148 3.795 147 HB3 ARG 24 HB3 ARG 24 -2.246 -7.616 4.701 148 HG2 ARG 24 HG2 ARG 24 -4.107 -6.947 3.247 149 HG3 ARG 24 HG3 ARG 24 -4.621 -7.005 4.940 150 HD2 ARG 24 HD2 ARG 24 -4.753 -4.648 5.114 151 HD3 ARG 24 HD3 ARG 24 -3.642 -4.398 3.755 152 HE ARG 24 HE ARG 24 -5.414 -4.175 2.414 153 HH11 ARG 24 HH11 ARG 24 -6.643 -6.155 5.034 154 HH12 ARG 24 HH12 ARG 24 -8.211 -6.287 4.297 155 HH21 ARG 24 HH21 ARG 24 -7.359 -4.494 1.486 156 HH22 ARG 24 HH22 ARG 24 -8.603 -5.377 2.332 157 H ASP 25 H ASP 25 -0.804 -7.431 7.378 158 HA ASP 25 HA ASP 25 -2.987 -7.985 9.310 159 HB2 ASP 25 HB2 ASP 25 -1.647 -9.828 8.164 160 HB3 ASP 25 HB3 ASP 25 -0.273 -9.330 9.147 161 H ASN 26 H ASN 26 -1.096 -5.505 9.108 162 HA ASN 26 HA ASN 26 -0.242 -3.961 10.425 163 HB2 ASN 26 HB2 ASN 26 -2.630 -4.528 11.405 164 HB3 ASN 26 HB3 ASN 26 -1.729 -5.016 12.834 165 HD21 ASN 26 HD21 ASN 26 0.103 -3.186 13.361 166 HD22 ASN 26 HD22 ASN 26 -0.589 -1.554 13.382 167 H ARG 27 H ARG 27 1.322 -6.430 10.230 168 HA ARG 27 HA ARG 27 3.004 -6.396 12.678 169 HB2 ARG 27 HB2 ARG 27 3.685 -7.728 10.034 170 HB3 ARG 27 HB3 ARG 27 4.318 -8.090 11.623 171 HG2 ARG 27 HG2 ARG 27 1.500 -8.665 10.614 172 HG3 ARG 27 HG3 ARG 27 2.807 -9.830 10.821 173 HD2 ARG 27 HD2 ARG 27 2.804 -9.495 13.240 174 HD3 ARG 27 HD3 ARG 27 1.540 -8.261 13.095 175 HE ARG 27 HE ARG 27 0.263 -10.267 11.892 176 HH11 ARG 27 HH11 ARG 27 2.063 -10.555 14.917 177 HH12 ARG 27 HH12 ARG 27 1.086 -11.922 15.403 178 HH21 ARG 27 HH21 ARG 27 -0.831 -11.862 12.529 179 HH22 ARG 27 HH22 ARG 27 -0.546 -12.676 14.078 180 H LEU 28 H LEU 28 2.915 -4.889 9.509 181 HA LEU 28 HA LEU 28 5.550 -3.572 9.978 182 HB2 LEU 28 HB2 LEU 28 5.086 -5.551 8.216 183 HB3 LEU 28 HB3 LEU 28 4.416 -4.266 7.268 184 HG LEU 28 HG LEU 28 6.622 -4.754 6.546 185 HD11 LEU 28 HD11 LEU 28 6.885 -2.213 8.120 186 HD12 LEU 28 HD12 LEU 28 5.960 -2.369 6.605 187 HD13 LEU 28 HD13 LEU 28 7.711 -2.670 6.618 188 HD21 LEU 28 HD21 LEU 28 7.637 -4.084 9.355 189 HD22 LEU 28 HD22 LEU 28 8.626 -4.511 7.953 190 HD23 LEU 28 HD23 LEU 28 7.539 -5.722 8.667 191 H SER 29 H SER 29 5.668 -1.348 9.463 192 HA SER 29 HA SER 29 3.117 0.124 9.332 193 HB2 SER 29 HB2 SER 29 4.796 0.932 10.851 194 HB3 SER 29 HB3 SER 29 5.986 1.067 9.543 195 HG SER 29 HG SER 29 4.919 3.063 10.153 196 H ILE 30 H ILE 30 2.684 1.761 7.844 197 HA ILE 30 HA ILE 30 2.948 1.295 5.020 198 HB ILE 30 HB ILE 30 2.560 3.902 6.554 199 HG12 ILE 30 HG12 ILE 30 0.797 2.318 7.226 200 HG13 ILE 30 HG13 ILE 30 0.172 3.668 6.302 201 HG21 ILE 30 HG21 ILE 30 1.973 3.237 3.652 202 HG22 ILE 30 HG22 ILE 30 1.390 4.688 4.485 203 HG23 ILE 30 HG23 ILE 30 3.123 4.417 4.283 204 HD11 ILE 30 HD11 ILE 30 -0.932 1.594 5.649 205 HD12 ILE 30 HD12 ILE 30 -0.018 2.247 4.299 206 HD13 ILE 30 HD13 ILE 30 0.630 0.858 5.216 207 H GLU 31 H GLU 31 4.883 3.334 7.295 208 HA GLU 31 HA GLU 31 6.540 4.361 5.103 209 HB2 GLU 31 HB2 GLU 31 6.756 4.603 8.125 210 HB3 GLU 31 HB3 GLU 31 7.832 5.420 6.984 211 HG2 GLU 31 HG2 GLU 31 5.863 6.552 5.962 212 HG3 GLU 31 HG3 GLU 31 4.806 5.797 7.157 213 H GLN 32 H GLN 32 6.898 1.823 7.556 214 HA GLN 32 HA GLN 32 9.682 1.228 6.953 215 HB2 GLN 32 HB2 GLN 32 7.466 -0.167 8.460 216 HB3 GLN 32 HB3 GLN 32 9.063 -0.893 8.273 217 HG2 GLN 32 HG2 GLN 32 8.484 1.821 9.570 218 HG3 GLN 32 HG3 GLN 32 8.734 0.307 10.437 219 HE21 GLN 32 HE21 GLN 32 10.905 -0.806 10.150 220 HE22 GLN 32 HE22 GLN 32 12.302 0.228 9.856 221 H ALA 33 H ALA 33 6.562 0.147 5.603 222 HA ALA 33 HA ALA 33 7.749 -1.943 3.991 223 HB1 ALA 33 HB1 ALA 33 5.517 -1.690 2.752 224 HB2 ALA 33 HB2 ALA 33 5.420 -2.094 4.475 225 HB3 ALA 33 HB3 ALA 33 5.108 -0.425 3.910 226 H VAL 34 H VAL 34 7.113 1.541 3.413 227 HA VAL 34 HA VAL 34 7.731 1.498 0.597 228 HB VAL 34 HB VAL 34 7.603 3.709 2.676 229 HG11 VAL 34 HG11 VAL 34 7.529 5.316 0.748 230 HG12 VAL 34 HG12 VAL 34 9.117 4.582 0.982 231 HG13 VAL 34 HG13 VAL 34 8.060 4.003 -0.329 232 HG21 VAL 34 HG21 VAL 34 5.462 2.526 1.916 233 HG22 VAL 34 HG22 VAL 34 5.528 4.283 1.677 234 HG23 VAL 34 HG23 VAL 34 5.780 3.171 0.308 235 H THR 35 H THR 35 9.701 2.203 3.519 236 HA THR 35 HA THR 35 11.966 2.983 2.011 237 HB THR 35 HB THR 35 11.519 3.540 4.402 238 HG1 THR 35 HG1 THR 35 13.688 3.678 4.879 239 HG21 THR 35 HG21 THR 35 12.382 2.115 6.160 240 HG22 THR 35 HG22 THR 35 12.889 0.881 4.997 241 HG23 THR 35 HG23 THR 35 11.165 1.215 5.240 242 H LEU 36 H LEU 36 10.874 -0.219 2.819 243 HA LEU 36 HA LEU 36 13.394 -1.527 1.957 244 HB2 LEU 36 HB2 LEU 36 10.695 -2.668 2.773 245 HB3 LEU 36 HB3 LEU 36 12.155 -3.604 2.448 246 HG LEU 36 HG LEU 36 11.787 -1.609 4.717 247 HD11 LEU 36 HD11 LEU 36 11.993 -4.642 4.717 248 HD12 LEU 36 HD12 LEU 36 10.513 -3.699 4.979 249 HD13 LEU 36 HD13 LEU 36 11.840 -3.604 6.152 250 HD21 LEU 36 HD21 LEU 36 14.145 -1.636 4.073 251 HD22 LEU 36 HD22 LEU 36 14.152 -3.419 4.091 252 HD23 LEU 36 HD23 LEU 36 13.932 -2.494 5.592 253 H LEU 37 H LEU 37 10.125 -0.913 0.719 254 HA LEU 37 HA LEU 37 10.371 -2.682 -1.553 255 HB2 LEU 37 HB2 LEU 37 8.303 -2.235 -0.391 256 HB3 LEU 37 HB3 LEU 37 8.367 -0.524 -0.764 257 HG LEU 37 HG LEU 37 8.329 -2.493 -3.060 258 HD11 LEU 37 HD11 LEU 37 5.885 -2.541 -2.970 259 HD12 LEU 37 HD12 LEU 37 5.905 -1.643 -1.423 260 HD13 LEU 37 HD13 LEU 37 6.578 -3.285 -1.532 261 HD21 LEU 37 HD21 LEU 37 6.958 -0.713 -4.107 262 HD22 LEU 37 HD22 LEU 37 8.488 -0.045 -3.561 263 HD23 LEU 37 HD23 LEU 37 7.024 0.238 -2.599 264 H THR 38 H THR 38 10.837 0.834 -1.193 265 HA THR 38 HA THR 38 10.653 1.502 -3.916 266 HB THR 38 HB THR 38 12.295 2.938 -1.804 267 HG1 THR 38 HG1 THR 38 10.223 2.836 -1.160 268 HG21 THR 38 HG21 THR 38 11.803 4.954 -3.184 269 HG22 THR 38 HG22 THR 38 11.100 3.921 -4.446 270 HG23 THR 38 HG23 THR 38 12.838 3.820 -4.052 271 HA PRO 39 HA PRO 39 14.389 -0.276 -5.639 272 HB2 PRO 39 HB2 PRO 39 14.077 1.996 -7.626 273 HB3 PRO 39 HB3 PRO 39 14.471 0.267 -7.932 274 HG2 PRO 39 HG2 PRO 39 11.943 1.159 -8.303 275 HG3 PRO 39 HG3 PRO 39 12.207 -0.394 -7.431 276 HD2 PRO 39 HD2 PRO 39 11.636 2.333 -6.254 277 HD3 PRO 39 HD3 PRO 39 10.938 0.737 -5.842 278 H ARG 40 H ARG 40 16.603 0.062 -5.669 279 HA ARG 40 HA ARG 40 17.599 2.168 -3.927 280 HB2 ARG 40 HB2 ARG 40 19.103 0.079 -5.567 281 HB3 ARG 40 HB3 ARG 40 19.786 1.066 -4.278 282 HG2 ARG 40 HG2 ARG 40 17.642 -1.063 -3.923 283 HG3 ARG 40 HG3 ARG 40 19.351 -1.203 -3.557 284 HD2 ARG 40 HD2 ARG 40 18.568 -0.783 -1.469 285 HD3 ARG 40 HD3 ARG 40 18.956 0.862 -1.969 286 HE ARG 40 HE ARG 40 16.261 0.434 -2.690 287 HH11 ARG 40 HH11 ARG 40 18.022 0.463 0.345 288 HH12 ARG 40 HH12 ARG 40 16.576 0.812 1.263 289 HH21 ARG 40 HH21 ARG 40 14.498 0.819 -1.458 290 HH22 ARG 40 HH22 ARG 40 14.633 0.983 0.291 291 H ARG 41 H ARG 41 17.270 2.034 -7.329 292 HA ARG 41 HA ARG 41 18.493 4.715 -7.613 293 HB2 ARG 41 HB2 ARG 41 19.156 2.352 -9.433 294 HB3 ARG 41 HB3 ARG 41 19.524 4.029 -9.817 295 HG2 ARG 41 HG2 ARG 41 20.692 2.475 -7.464 296 HG3 ARG 41 HG3 ARG 41 21.488 2.795 -8.997 297 HD2 ARG 41 HD2 ARG 41 21.370 5.231 -8.582 298 HD3 ARG 41 HD3 ARG 41 20.588 4.942 -7.032 299 HE ARG 41 HE ARG 41 23.420 4.527 -7.733 300 HH11 ARG 41 HH11 ARG 41 20.994 3.893 -5.242 301 HH12 ARG 41 HH12 ARG 41 22.221 3.672 -4.017 302 HH21 ARG 41 HH21 ARG 41 24.881 4.209 -6.119 303 HH22 ARG 41 HH22 ARG 41 24.341 3.853 -4.503 304 H GLY 42 H GLY 42 17.601 5.974 -9.178 305 HA2 GLY 42 HA2 GLY 42 14.887 5.270 -10.108 306 HA3 GLY 42 HA3 GLY 42 15.640 6.858 -10.126 307 H GLY 43 H GLY 43 14.536 6.796 -12.245 308 HA2 GLY 43 HA2 GLY 43 14.923 7.256 -14.464 309 HA3 GLY 43 HA3 GLY 43 16.538 6.563 -14.328 310 H GLY 44 H GLY 44 14.684 4.085 -13.281 311 HA2 GLY 44 HA2 GLY 44 14.647 2.673 -15.858 312 HA3 GLY 44 HA3 GLY 44 14.257 2.008 -14.287 313 H SER 45 H SER 45 12.701 1.200 -16.246 314 HA SER 45 HA SER 45 10.396 2.810 -16.834 315 HB2 SER 45 HB2 SER 45 10.718 -0.207 -17.012 316 HB3 SER 45 HB3 SER 45 9.497 0.782 -17.845 317 HG SER 45 HG SER 45 11.276 0.289 -19.191 318 H GLY 46 H GLY 46 11.152 1.286 -13.901 319 HA2 GLY 46 HA2 GLY 46 8.512 0.420 -13.064 320 HA3 GLY 46 HA3 GLY 46 9.955 0.574 -12.064 321 H GLY 47 H GLY 47 9.417 3.525 -13.587 322 HA2 GLY 47 HA2 GLY 47 8.404 4.919 -11.239 323 HA3 GLY 47 HA3 GLY 47 8.653 5.593 -12.852 324 H GLY 48 H GLY 48 6.493 6.398 -11.368 325 HA2 GLY 48 HA2 GLY 48 4.247 5.893 -13.086 326 HA3 GLY 48 HA3 GLY 48 4.047 5.020 -11.569 327 H SER 49 H SER 49 2.156 6.783 -12.116 328 HA SER 49 HA SER 49 2.737 9.386 -10.861 329 HB2 SER 49 HB2 SER 49 0.557 10.064 -11.835 330 HB3 SER 49 HB3 SER 49 1.684 9.441 -13.047 331 HG SER 49 HG SER 49 -0.411 8.549 -13.296 332 H MET 50 H MET 50 2.347 6.842 -9.337 333 HA MET 50 HA MET 50 0.887 8.169 -7.136 334 HB2 MET 50 HB2 MET 50 0.232 5.539 -8.409 335 HB3 MET 50 HB3 MET 50 0.081 5.688 -6.643 336 HG2 MET 50 HG2 MET 50 -1.376 7.646 -6.907 337 HG3 MET 50 HG3 MET 50 -1.327 7.463 -8.671 338 HE1 MET 50 HE1 MET 50 -1.706 4.584 -9.443 339 HE2 MET 50 HE2 MET 50 -3.459 4.346 -9.395 340 HE3 MET 50 HE3 MET 50 -2.795 5.856 -10.039 341 H ASP 51 H ASP 51 2.148 8.273 -5.483 342 HA ASP 51 HA ASP 51 4.670 6.929 -5.243 343 HB2 ASP 51 HB2 ASP 51 3.149 8.336 -3.034 344 HB3 ASP 51 HB3 ASP 51 4.874 8.034 -3.101 345 H ALA 52 H ALA 52 5.403 5.320 -3.785 346 HA ALA 52 HA ALA 52 3.714 3.114 -3.337 347 HB1 ALA 52 HB1 ALA 52 6.353 3.860 -1.994 348 HB2 ALA 52 HB2 ALA 52 5.609 2.245 -1.991 349 HB3 ALA 52 HB3 ALA 52 6.160 2.955 -3.520 350 H LYS 53 H LYS 53 4.567 5.744 -1.092 351 HA LYS 53 HA LYS 53 3.354 4.753 1.279 352 HB2 LYS 53 HB2 LYS 53 4.867 6.783 0.956 353 HB3 LYS 53 HB3 LYS 53 3.457 7.689 0.404 354 HG2 LYS 53 HG2 LYS 53 3.648 6.269 3.082 355 HG3 LYS 53 HG3 LYS 53 4.212 7.910 2.850 356 HD2 LYS 53 HD2 LYS 53 1.993 8.742 2.397 357 HD3 LYS 53 HD3 LYS 53 1.322 7.119 2.330 358 HE2 LYS 53 HE2 LYS 53 2.173 6.800 4.729 359 HE3 LYS 53 HE3 LYS 53 2.396 8.554 4.770 360 HZ1 LYS 53 HZ1 LYS 53 0.014 8.776 4.216 361 HZ2 LYS 53 HZ2 LYS 53 0.198 7.916 5.594 362 HZ3 LYS 53 HZ3 LYS 53 -0.175 7.148 4.192 363 H GLU 54 H GLU 54 1.905 6.799 -1.226 364 HA GLU 54 HA GLU 54 -0.727 6.908 -0.134 365 HB2 GLU 54 HB2 GLU 54 0.195 8.436 -1.888 366 HB3 GLU 54 HB3 GLU 54 0.218 7.111 -3.031 367 HG2 GLU 54 HG2 GLU 54 -1.681 8.473 -3.503 368 HG3 GLU 54 HG3 GLU 54 -2.241 6.909 -2.909 369 H ILE 55 H ILE 55 0.742 4.645 -2.496 370 HA ILE 55 HA ILE 55 -1.605 3.091 -2.997 371 HB ILE 55 HB ILE 55 1.354 2.419 -3.218 372 HG12 ILE 55 HG12 ILE 55 -0.620 2.899 -5.476 373 HG13 ILE 55 HG13 ILE 55 0.195 4.253 -4.693 374 HG21 ILE 55 HG21 ILE 55 0.435 0.547 -4.762 375 HG22 ILE 55 HG22 ILE 55 0.291 0.297 -3.014 376 HG23 ILE 55 HG23 ILE 55 -1.109 0.817 -3.970 377 HD11 ILE 55 HD11 ILE 55 1.409 3.567 -6.703 378 HD12 ILE 55 HD12 ILE 55 2.406 3.322 -5.257 379 HD13 ILE 55 HD13 ILE 55 1.637 1.936 -6.054 380 H LEU 56 H LEU 56 1.050 2.511 -0.600 381 HA LEU 56 HA LEU 56 -0.189 0.222 0.593 382 HB2 LEU 56 HB2 LEU 56 1.958 2.184 1.393 383 HB3 LEU 56 HB3 LEU 56 1.223 1.243 2.675 384 HG LEU 56 HG LEU 56 3.174 0.137 2.171 385 HD11 LEU 56 HD11 LEU 56 1.131 -1.331 2.389 386 HD12 LEU 56 HD12 LEU 56 2.510 -2.051 1.512 387 HD13 LEU 56 HD13 LEU 56 1.106 -1.463 0.610 388 HD21 LEU 56 HD21 LEU 56 3.724 1.086 0.057 389 HD22 LEU 56 HD22 LEU 56 2.391 0.226 -0.756 390 HD23 LEU 56 HD23 LEU 56 3.776 -0.671 -0.090 391 H THR 57 H THR 57 -0.577 3.703 1.301 392 HA THR 57 HA THR 57 -2.171 3.417 3.646 393 HB THR 57 HB THR 57 -2.263 5.639 1.566 394 HG1 THR 57 HG1 THR 57 -0.236 5.384 2.478 395 HG21 THR 57 HG21 THR 57 -3.141 5.594 4.485 396 HG22 THR 57 HG22 THR 57 -4.218 5.780 3.077 397 HG23 THR 57 HG23 THR 57 -3.039 7.041 3.449 398 H ARG 58 H ARG 58 -3.194 3.641 0.196 399 HA ARG 58 HA ARG 58 -6.021 3.274 0.734 400 HB2 ARG 58 HB2 ARG 58 -4.411 2.789 -1.800 401 HB3 ARG 58 HB3 ARG 58 -6.173 2.805 -1.692 402 HG2 ARG 58 HG2 ARG 58 -6.203 5.139 -1.031 403 HG3 ARG 58 HG3 ARG 58 -4.434 5.206 -1.015 404 HD2 ARG 58 HD2 ARG 58 -4.437 4.547 -3.449 405 HD3 ARG 58 HD3 ARG 58 -6.204 4.703 -3.435 406 HE ARG 58 HE ARG 58 -4.756 7.068 -2.429 407 HH11 ARG 58 HH11 ARG 58 -5.956 5.684 -5.446 408 HH12 ARG 58 HH12 ARG 58 -5.914 7.238 -6.236 409 HH21 ARG 58 HH21 ARG 58 -4.725 8.869 -3.426 410 HH22 ARG 58 HH22 ARG 58 -5.228 9.053 -5.104 411 H PHE 59 H PHE 59 -3.456 0.914 -0.154 412 HA PHE 59 HA PHE 59 -5.124 -1.375 -0.304 413 HB2 PHE 59 HB2 PHE 59 -2.892 -1.379 -1.222 414 HB3 PHE 59 HB3 PHE 59 -2.187 -0.939 0.321 415 HD1 PHE 59 HD1 PHE 59 -4.402 -3.688 -1.041 416 HD2 PHE 59 HD2 PHE 59 -1.109 -2.601 1.529 417 HE1 PHE 59 HE1 PHE 59 -4.116 -6.063 -0.398 418 HE2 PHE 59 HE2 PHE 59 -0.782 -4.981 2.111 419 HZ PHE 59 HZ PHE 59 -2.278 -6.725 1.161 420 H LYS 60 H LYS 60 -3.312 -0.056 2.517 421 HA LYS 60 HA LYS 60 -4.202 -2.154 4.251 422 HB2 LYS 60 HB2 LYS 60 -2.134 -0.748 4.567 423 HB3 LYS 60 HB3 LYS 60 -3.172 0.595 5.074 424 HG2 LYS 60 HG2 LYS 60 -4.045 -0.840 6.938 425 HG3 LYS 60 HG3 LYS 60 -2.990 -2.163 6.400 426 HD2 LYS 60 HD2 LYS 60 -1.011 -0.685 6.815 427 HD3 LYS 60 HD3 LYS 60 -2.092 0.565 7.448 428 HE2 LYS 60 HE2 LYS 60 -1.848 -2.274 8.554 429 HE3 LYS 60 HE3 LYS 60 -0.966 -0.872 9.186 430 HZ1 LYS 60 HZ1 LYS 60 -3.923 -1.154 9.168 431 HZ2 LYS 60 HZ2 LYS 60 -3.110 0.178 9.691 432 HZ3 LYS 60 HZ3 LYS 60 -2.954 -1.244 10.479 433 H ASP 61 H ASP 61 -5.533 1.045 3.577 434 HA ASP 61 HA ASP 61 -7.637 0.920 5.554 435 HB2 ASP 61 HB2 ASP 61 -6.725 3.000 4.561 436 HB3 ASP 61 HB3 ASP 61 -7.412 2.555 2.999 437 H GLY 62 H GLY 62 -7.289 -0.790 2.594 438 HA2 GLY 62 HA2 GLY 62 -8.695 -2.396 1.689 439 HA3 GLY 62 HA3 GLY 62 -10.021 -1.873 2.722 440 H GLY 63 H GLY 63 -8.540 0.720 1.022 441 HA2 GLY 63 HA2 GLY 63 -10.821 1.094 -0.815 442 HA3 GLY 63 HA3 GLY 63 -9.454 2.178 -0.547 443 H LEU 64 H LEU 64 -7.861 -0.568 -0.958 444 HA LEU 64 HA LEU 64 -7.885 -0.680 -3.933 445 HB2 LEU 64 HB2 LEU 64 -6.172 0.972 -2.967 446 HB3 LEU 64 HB3 LEU 64 -5.386 -0.409 -2.218 447 HG LEU 64 HG LEU 64 -5.077 -1.364 -4.569 448 HD11 LEU 64 HD11 LEU 64 -5.115 0.331 -6.400 449 HD12 LEU 64 HD12 LEU 64 -5.886 1.484 -5.278 450 HD13 LEU 64 HD13 LEU 64 -6.743 0.001 -5.772 451 HD21 LEU 64 HD21 LEU 64 -3.156 0.079 -5.040 452 HD22 LEU 64 HD22 LEU 64 -3.277 -0.227 -3.298 453 HD23 LEU 64 HD23 LEU 64 -3.797 1.331 -3.964 454 H ASP 65 H ASP 65 -7.403 -2.676 -4.796 455 HA ASP 65 HA ASP 65 -7.316 -4.991 -2.971 456 HB2 ASP 65 HB2 ASP 65 -7.321 -5.007 -5.998 457 HB3 ASP 65 HB3 ASP 65 -7.670 -6.355 -4.922 458 H ARG 66 H ARG 66 -5.700 -6.666 -3.120 459 HA ARG 66 HA ARG 66 -3.022 -5.713 -3.071 460 HB2 ARG 66 HB2 ARG 66 -3.983 -7.780 -1.927 461 HB3 ARG 66 HB3 ARG 66 -3.898 -8.610 -3.474 462 HG2 ARG 66 HG2 ARG 66 -1.452 -8.161 -3.587 463 HG3 ARG 66 HG3 ARG 66 -1.529 -7.323 -2.032 464 HD2 ARG 66 HD2 ARG 66 -2.300 -10.238 -2.422 465 HD3 ARG 66 HD3 ARG 66 -0.681 -9.686 -1.995 466 HE ARG 66 HE ARG 66 -2.970 -8.864 -0.261 467 HH11 ARG 66 HH11 ARG 66 -0.235 -11.070 -0.583 468 HH12 ARG 66 HH12 ARG 66 -0.015 -11.131 1.155 469 HH21 ARG 66 HH21 ARG 66 -2.739 -9.297 1.960 470 HH22 ARG 66 HH22 ARG 66 -1.424 -10.354 2.449 471 H ALA 67 H ALA 67 -4.756 -7.358 -5.700 472 HA ALA 67 HA ALA 67 -2.566 -7.687 -7.489 473 HB1 ALA 67 HB1 ALA 67 -4.762 -8.799 -7.721 474 HB2 ALA 67 HB2 ALA 67 -5.534 -7.233 -8.061 475 HB3 ALA 67 HB3 ALA 67 -4.343 -7.902 -9.193 476 H ALA 68 H ALA 68 -4.762 -4.888 -7.026 477 HA ALA 68 HA ALA 68 -3.555 -3.279 -9.125 478 HB1 ALA 68 HB1 ALA 68 -4.966 -1.499 -8.181 479 HB2 ALA 68 HB2 ALA 68 -5.903 -2.994 -8.408 480 HB3 ALA 68 HB3 ALA 68 -5.351 -2.523 -6.786 481 H ALA 69 H ALA 69 -3.151 -3.465 -5.545 482 HA ALA 69 HA ALA 69 -1.287 -1.358 -5.262 483 HB1 ALA 69 HB1 ALA 69 -2.430 -2.537 -3.398 484 HB2 ALA 69 HB2 ALA 69 -1.421 -3.974 -3.699 485 HB3 ALA 69 HB3 ALA 69 -0.676 -2.452 -3.168 486 H GLN 70 H GLN 70 -0.588 -4.843 -5.834 487 HA GLN 70 HA GLN 70 2.229 -4.634 -6.030 488 HB2 GLN 70 HB2 GLN 70 0.252 -6.538 -7.331 489 HB3 GLN 70 HB3 GLN 70 2.013 -6.737 -7.430 490 HG2 GLN 70 HG2 GLN 70 2.213 -6.973 -5.043 491 HG3 GLN 70 HG3 GLN 70 0.510 -6.619 -4.788 492 HE21 GLN 70 HE21 GLN 70 1.744 -8.989 -3.805 493 HE22 GLN 70 HE22 GLN 70 1.006 -10.333 -4.664 494 H ALA 71 H ALA 71 -0.227 -4.300 -8.647 495 HA ALA 71 HA ALA 71 1.593 -4.057 -10.816 496 HB1 ALA 71 HB1 ALA 71 -1.193 -2.845 -10.465 497 HB2 ALA 71 HB2 ALA 71 -0.355 -3.194 -11.996 498 HB3 ALA 71 HB3 ALA 71 -0.871 -4.528 -10.965 499 H LEU 72 H LEU 72 0.339 -1.630 -8.573 500 HA LEU 72 HA LEU 72 1.466 0.638 -10.073 501 HB2 LEU 72 HB2 LEU 72 -0.107 0.379 -7.484 502 HB3 LEU 72 HB3 LEU 72 0.358 1.917 -8.204 503 HG LEU 72 HG LEU 72 -1.368 -0.155 -9.657 504 HD11 LEU 72 HD11 LEU 72 -3.271 1.268 -9.130 505 HD12 LEU 72 HD12 LEU 72 -2.223 2.312 -8.123 506 HD13 LEU 72 HD13 LEU 72 -2.526 0.617 -7.670 507 HD21 LEU 72 HD21 LEU 72 -0.223 1.325 -11.174 508 HD22 LEU 72 HD22 LEU 72 -0.704 2.744 -10.225 509 HD23 LEU 72 HD23 LEU 72 -1.934 1.781 -11.082 510 H LEU 73 H LEU 73 2.195 -1.139 -7.140 511 HA LEU 73 HA LEU 73 4.458 0.463 -6.275 512 HB2 LEU 73 HB2 LEU 73 3.646 -2.428 -5.790 513 HB3 LEU 73 HB3 LEU 73 5.066 -1.706 -5.056 514 HG LEU 73 HG LEU 73 2.289 -0.499 -4.745 515 HD11 LEU 73 HD11 LEU 73 3.662 -2.395 -2.808 516 HD12 LEU 73 HD12 LEU 73 2.258 -2.787 -3.820 517 HD13 LEU 73 HD13 LEU 73 2.119 -1.549 -2.561 518 HD21 LEU 73 HD21 LEU 73 4.241 0.992 -4.231 519 HD22 LEU 73 HD22 LEU 73 4.713 -0.166 -2.972 520 HD23 LEU 73 HD23 LEU 73 3.171 0.680 -2.860 521 H ALA 74 H ALA 74 4.187 -2.302 -8.520 522 HA ALA 74 HA ALA 74 7.031 -2.246 -9.150 523 HB1 ALA 74 HB1 ALA 74 4.679 -3.596 -10.532 524 HB2 ALA 74 HB2 ALA 74 6.401 -3.918 -10.842 525 HB3 ALA 74 HB3 ALA 74 5.694 -4.310 -9.265 526 H GLY 75 H GLY 75 4.383 -0.276 -10.123 527 HA2 GLY 75 HA2 GLY 75 4.291 1.529 -11.524 528 HA3 GLY 75 HA3 GLY 75 5.964 1.246 -12.002 529 H ARG 76 H ARG 76 3.666 -1.358 -12.447 530 HA ARG 76 HA ARG 76 3.947 -1.100 -15.418 531 HB2 ARG 76 HB2 ARG 76 3.004 -3.534 -13.880 532 HB3 ARG 76 HB3 ARG 76 3.597 -3.452 -15.535 533 HG2 ARG 76 HG2 ARG 76 5.214 -3.106 -12.978 534 HG3 ARG 76 HG3 ARG 76 5.243 -4.491 -14.044 535 HD2 ARG 76 HD2 ARG 76 6.483 -3.388 -15.698 536 HD3 ARG 76 HD3 ARG 76 5.989 -1.789 -15.176 537 HE ARG 76 HE ARG 76 7.366 -2.010 -13.157 538 HH11 ARG 76 HH11 ARG 76 8.372 -4.209 -15.761 539 HH12 ARG 76 HH12 ARG 76 9.955 -4.362 -14.999 540 HH21 ARG 76 HH21 ARG 76 9.396 -2.368 -12.373 541 HH22 ARG 76 HH22 ARG 76 10.472 -3.414 -13.311 542 H THR 77 H THR 77 1.607 -0.780 -12.991 543 HA THR 77 HA THR 77 -0.516 -0.293 -12.848 544 HB THR 77 HB THR 77 -1.733 0.893 -14.464 545 HG1 THR 77 HG1 THR 77 0.107 -0.176 -16.314 546 HG21 THR 77 HG21 THR 77 0.150 2.127 -13.460 547 HG22 THR 77 HG22 THR 77 -0.239 2.686 -15.090 548 HG23 THR 77 HG23 THR 77 1.188 1.662 -14.829 549 HA PRO 78 HA PRO 78 -2.676 -4.002 -13.441 550 HB2 PRO 78 HB2 PRO 78 -5.218 -3.443 -12.619 551 HB3 PRO 78 HB3 PRO 78 -3.809 -3.451 -11.519 552 HG2 PRO 78 HG2 PRO 78 -5.082 -1.065 -12.892 553 HG3 PRO 78 HG3 PRO 78 -4.638 -1.231 -11.164 554 HD2 PRO 78 HD2 PRO 78 -3.026 0.029 -12.938 555 HD3 PRO 78 HD3 PRO 78 -2.352 -0.963 -11.614 556 H ALA 79 H ALA 79 -4.214 -5.185 -14.678 557 HA ALA 79 HA ALA 79 -5.491 -3.848 -16.999 558 HB1 ALA 79 HB1 ALA 79 -3.499 -6.149 -17.198 559 HB2 ALA 79 HB2 ALA 79 -4.412 -5.431 -18.538 560 HB3 ALA 79 HB3 ALA 79 -3.196 -4.463 -17.694 561 H ALA 80 H ALA 80 -6.966 -5.225 -18.192 562 HA ALA 80 HA ALA 80 -7.989 -7.665 -16.879 563 HB1 ALA 80 HB1 ALA 80 -9.689 -5.164 -17.316 564 HB2 ALA 80 HB2 ALA 80 -10.275 -6.740 -16.735 565 HB3 ALA 80 HB3 ALA 80 -9.148 -5.792 -15.740 566 H ALA 81 H ALA 81 -9.734 -8.673 -18.139 567 HA ALA 81 HA ALA 81 -10.056 -7.826 -20.940 568 HB1 ALA 81 HB1 ALA 81 -9.692 -10.117 -21.795 569 HB2 ALA 81 HB2 ALA 81 -8.232 -9.475 -21.025 570 HB3 ALA 81 HB3 ALA 81 -9.235 -10.658 -20.163 571 HA PRO 82 HA PRO 82 -14.214 -8.977 -19.806 572 HB2 PRO 82 HB2 PRO 82 -15.545 -8.678 -22.162 573 HB3 PRO 82 HB3 PRO 82 -14.719 -7.312 -21.361 574 HG2 PRO 82 HG2 PRO 82 -13.625 -9.106 -23.579 575 HG3 PRO 82 HG3 PRO 82 -13.704 -7.314 -23.561 576 HD2 PRO 82 HD2 PRO 82 -11.468 -8.694 -22.805 577 HD3 PRO 82 HD3 PRO 82 -11.941 -7.163 -21.998 578 H ARG 83 H ARG 83 -12.307 -11.203 -20.743 579 HA ARG 83 HA ARG 83 -13.922 -13.161 -22.179 580 HB2 ARG 83 HB2 ARG 83 -11.200 -13.338 -20.816 581 HB3 ARG 83 HB3 ARG 83 -11.918 -14.642 -21.770 582 HG2 ARG 83 HG2 ARG 83 -11.986 -13.195 -23.781 583 HG3 ARG 83 HG3 ARG 83 -11.291 -11.855 -22.851 584 HD2 ARG 83 HD2 ARG 83 -9.263 -13.214 -22.411 585 HD3 ARG 83 HD3 ARG 83 -9.948 -14.546 -23.367 586 HE ARG 83 HE ARG 83 -9.987 -12.242 -25.004 587 HH11 ARG 83 HH11 ARG 83 -7.535 -14.298 -23.571 588 HH12 ARG 83 HH12 ARG 83 -6.369 -13.926 -24.819 589 HH21 ARG 83 HH21 ARG 83 -8.471 -11.828 -26.561 590 HH22 ARG 83 HH22 ARG 83 -6.898 -12.569 -26.479 591 HA PRO 84 HA PRO 84 -15.835 -15.164 -18.701 592 HB2 PRO 84 HB2 PRO 84 -16.311 -17.678 -19.646 593 HB3 PRO 84 HB3 PRO 84 -17.171 -16.230 -20.246 594 HG2 PRO 84 HG2 PRO 84 -14.746 -17.603 -21.462 595 HG3 PRO 84 HG3 PRO 84 -16.260 -17.106 -22.285 596 HD2 PRO 84 HD2 PRO 84 -14.042 -15.545 -22.362 597 HD3 PRO 84 HD3 PRO 84 -15.666 -14.822 -22.224 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 21.570 -25.369 -24.206 2 H2 GLY 1 H2 GLY 1 21.928 -25.078 -25.768 3 H3 GLY 1 H3 GLY 1 21.478 -26.575 -25.310 4 HA2 GLY 1 HA2 GLY 1 19.652 -25.546 -26.429 5 HA3 GLY 1 HA3 GLY 1 19.264 -25.771 -24.725 6 HA PRO 2 HA PRO 2 18.440 -21.396 -26.109 7 HB2 PRO 2 HB2 PRO 2 16.012 -21.858 -24.379 8 HB3 PRO 2 HB3 PRO 2 16.124 -21.003 -25.938 9 HG2 PRO 2 HG2 PRO 2 15.131 -23.513 -25.841 10 HG3 PRO 2 HG3 PRO 2 16.312 -23.082 -27.128 11 HD2 PRO 2 HD2 PRO 2 16.830 -24.502 -24.497 12 HD3 PRO 2 HD3 PRO 2 17.377 -24.947 -26.147 13 H GLY 3 H GLY 3 18.536 -22.764 -22.859 14 HA2 GLY 3 HA2 GLY 3 19.361 -21.896 -20.868 15 HA3 GLY 3 HA3 GLY 3 19.813 -20.422 -21.712 16 H SER 4 H SER 4 19.067 -19.056 -20.086 17 HA SER 4 HA SER 4 16.141 -18.589 -19.979 18 HB2 SER 4 HB2 SER 4 16.725 -20.053 -18.033 19 HB3 SER 4 HB3 SER 4 17.832 -18.787 -17.458 20 HG SER 4 HG SER 4 15.721 -18.675 -16.504 21 H TYR 5 H TYR 5 15.573 -16.470 -19.378 22 HA TYR 5 HA TYR 5 17.649 -14.382 -19.131 23 HB2 TYR 5 HB2 TYR 5 17.439 -14.740 -21.553 24 HB3 TYR 5 HB3 TYR 5 15.695 -14.523 -21.459 25 HD1 TYR 5 HD2 TYR 5 18.984 -12.789 -21.020 26 HD2 TYR 5 HD1 TYR 5 14.712 -12.328 -21.497 27 HE1 TYR 5 HE2 TYR 5 19.279 -10.336 -21.340 28 HE2 TYR 5 HE1 TYR 5 15.019 -9.875 -21.826 29 HH TYR 5 HH TYR 5 16.490 -8.139 -21.933 30 H THR 6 H THR 6 16.902 -12.467 -18.240 31 HA THR 6 HA THR 6 14.022 -12.133 -17.603 32 HB THR 6 HB THR 6 14.613 -11.466 -15.273 33 HG1 THR 6 HG1 THR 6 16.568 -12.247 -14.433 34 HG21 THR 6 HG21 THR 6 15.320 -14.370 -15.878 35 HG22 THR 6 HG22 THR 6 13.669 -13.728 -15.756 36 HG23 THR 6 HG23 THR 6 14.735 -13.703 -14.340 37 H GLY 7 H GLY 7 13.358 -10.014 -17.264 38 HA2 GLY 7 HA2 GLY 7 14.900 -7.938 -18.577 39 HA3 GLY 7 HA3 GLY 7 13.327 -7.771 -17.795 40 H ALA 8 H ALA 8 14.197 -8.700 -15.196 41 HA ALA 8 HA ALA 8 14.831 -7.895 -13.195 42 HB1 ALA 8 HB1 ALA 8 17.193 -7.440 -12.931 43 HB2 ALA 8 HB2 ALA 8 16.978 -8.697 -14.150 44 HB3 ALA 8 HB3 ALA 8 17.360 -7.033 -14.651 45 H GLY 9 H GLY 9 16.138 -5.839 -12.097 46 HA2 GLY 9 HA2 GLY 9 16.226 -3.586 -11.655 47 HA3 GLY 9 HA3 GLY 9 15.441 -3.241 -13.194 48 H GLU 10 H GLU 10 13.452 -5.361 -11.497 49 HA GLU 10 HA GLU 10 12.046 -3.321 -9.895 50 HB2 GLU 10 HB2 GLU 10 9.906 -3.935 -10.928 51 HB3 GLU 10 HB3 GLU 10 11.009 -3.177 -12.077 52 HG2 GLU 10 HG2 GLU 10 11.564 -5.443 -12.990 53 HG3 GLU 10 HG3 GLU 10 10.434 -6.153 -11.839 54 HA PRO 11 HA PRO 11 11.488 -6.815 -7.138 55 HB2 PRO 11 HB2 PRO 11 9.215 -6.149 -5.750 56 HB3 PRO 11 HB3 PRO 11 10.783 -5.317 -5.522 57 HG2 PRO 11 HG2 PRO 11 8.441 -4.444 -7.250 58 HG3 PRO 11 HG3 PRO 11 9.378 -3.465 -6.072 59 HD2 PRO 11 HD2 PRO 11 9.911 -3.388 -8.734 60 HD3 PRO 11 HD3 PRO 11 11.224 -3.292 -7.535 61 H SER 12 H SER 12 10.375 -8.793 -7.069 62 HA SER 12 HA SER 12 8.544 -9.389 -9.288 63 HB2 SER 12 HB2 SER 12 8.766 -11.633 -8.739 64 HB3 SER 12 HB3 SER 12 10.368 -10.928 -8.471 65 HG SER 12 HG SER 12 9.887 -12.191 -6.726 66 H GLN 13 H GLN 13 6.489 -10.482 -9.031 67 HA GLN 13 HA GLN 13 4.642 -9.328 -7.179 68 HB2 GLN 13 HB2 GLN 13 3.094 -11.033 -7.900 69 HB3 GLN 13 HB3 GLN 13 3.939 -10.348 -9.284 70 HG2 GLN 13 HG2 GLN 13 5.449 -12.344 -9.328 71 HG3 GLN 13 HG3 GLN 13 4.577 -13.022 -7.966 72 HE21 GLN 13 HE21 GLN 13 4.567 -14.770 -9.873 73 HE22 GLN 13 HE22 GLN 13 3.079 -14.737 -10.812 74 H ALA 14 H ALA 14 6.989 -11.887 -6.724 75 HA ALA 14 HA ALA 14 5.631 -12.976 -4.349 76 HB1 ALA 14 HB1 ALA 14 8.359 -13.607 -5.525 77 HB2 ALA 14 HB2 ALA 14 7.548 -14.485 -4.216 78 HB3 ALA 14 HB3 ALA 14 6.854 -14.491 -5.845 79 H ASP 15 H ASP 15 8.405 -10.864 -5.054 80 HA ASP 15 HA ASP 15 9.194 -10.362 -2.331 81 HB2 ASP 15 HB2 ASP 15 9.324 -8.409 -4.664 82 HB3 ASP 15 HB3 ASP 15 10.244 -8.315 -3.178 83 H LEU 16 H LEU 16 6.849 -8.821 -4.429 84 HA LEU 16 HA LEU 16 5.982 -6.819 -2.535 85 HB2 LEU 16 HB2 LEU 16 4.723 -7.941 -5.069 86 HB3 LEU 16 HB3 LEU 16 4.049 -6.583 -4.168 87 HG LEU 16 HG LEU 16 6.887 -6.483 -5.214 88 HD11 LEU 16 HD11 LEU 16 6.028 -5.254 -7.160 89 HD12 LEU 16 HD12 LEU 16 4.361 -5.552 -6.638 90 HD13 LEU 16 HD13 LEU 16 5.398 -6.907 -7.138 91 HD21 LEU 16 HD21 LEU 16 6.291 -4.816 -3.521 92 HD22 LEU 16 HD22 LEU 16 4.864 -4.349 -4.465 93 HD23 LEU 16 HD23 LEU 16 6.502 -4.057 -5.110 94 H ASP 17 H ASP 17 4.465 -9.975 -3.480 95 HA ASP 17 HA ASP 17 2.210 -9.723 -1.799 96 HB2 ASP 17 HB2 ASP 17 2.543 -11.417 -3.589 97 HB3 ASP 17 HB3 ASP 17 3.741 -12.240 -2.604 98 H ALA 18 H ALA 18 5.464 -10.952 -1.002 99 HA ALA 18 HA ALA 18 4.856 -11.843 1.666 100 HB1 ALA 18 HB1 ALA 18 7.497 -10.892 0.467 101 HB2 ALA 18 HB2 ALA 18 7.301 -11.853 1.936 102 HB3 ALA 18 HB3 ALA 18 6.859 -12.549 0.365 103 H LEU 19 H LEU 19 6.026 -8.723 0.388 104 HA LEU 19 HA LEU 19 6.331 -7.386 2.907 105 HB2 LEU 19 HB2 LEU 19 7.336 -6.708 0.689 106 HB3 LEU 19 HB3 LEU 19 5.733 -6.312 0.110 107 HG LEU 19 HG LEU 19 5.676 -4.688 2.243 108 HD11 LEU 19 HD11 LEU 19 7.904 -3.739 2.676 109 HD12 LEU 19 HD12 LEU 19 8.653 -4.990 1.657 110 HD13 LEU 19 HD13 LEU 19 7.827 -5.436 3.171 111 HD21 LEU 19 HD21 LEU 19 7.206 -4.133 -0.322 112 HD22 LEU 19 HD22 LEU 19 6.561 -2.908 0.795 113 HD23 LEU 19 HD23 LEU 19 5.449 -3.981 -0.057 114 H LEU 20 H LEU 20 3.692 -7.416 0.502 115 HA LEU 20 HA LEU 20 1.971 -5.594 1.817 116 HB2 LEU 20 HB2 LEU 20 1.509 -7.753 -0.229 117 HB3 LEU 20 HB3 LEU 20 0.249 -6.630 0.229 118 HG LEU 20 HG LEU 20 2.913 -5.601 -0.834 119 HD11 LEU 20 HD11 LEU 20 1.907 -7.110 -2.531 120 HD12 LEU 20 HD12 LEU 20 1.900 -5.414 -3.042 121 HD13 LEU 20 HD13 LEU 20 0.397 -6.164 -2.449 122 HD21 LEU 20 HD21 LEU 20 1.591 -3.631 -1.385 123 HD22 LEU 20 HD22 LEU 20 1.453 -3.998 0.344 124 HD23 LEU 20 HD23 LEU 20 0.119 -4.405 -0.755 125 H SER 21 H SER 21 2.057 -9.212 1.925 126 HA SER 21 HA SER 21 -0.316 -9.554 3.471 127 HB2 SER 21 HB2 SER 21 2.201 -11.264 3.396 128 HB3 SER 21 HB3 SER 21 0.641 -11.746 4.102 129 HG SER 21 HG SER 21 1.309 -11.254 1.401 130 H ALA 22 H ALA 22 2.956 -8.644 4.506 131 HA ALA 22 HA ALA 22 2.456 -9.092 7.334 132 HB1 ALA 22 HB1 ALA 22 4.619 -8.046 7.622 133 HB2 ALA 22 HB2 ALA 22 4.707 -9.197 6.279 134 HB3 ALA 22 HB3 ALA 22 4.606 -7.451 5.943 135 H VAL 23 H VAL 23 2.100 -6.263 5.134 136 HA VAL 23 HA VAL 23 1.424 -4.519 7.425 137 HB VAL 23 HB VAL 23 2.655 -3.500 5.692 138 HG11 VAL 23 HG11 VAL 23 1.881 -3.177 3.423 139 HG12 VAL 23 HG12 VAL 23 2.096 -4.870 3.805 140 HG13 VAL 23 HG13 VAL 23 0.459 -4.180 3.740 141 HG21 VAL 23 HG21 VAL 23 0.876 -2.105 6.809 142 HG22 VAL 23 HG22 VAL 23 1.357 -1.544 5.204 143 HG23 VAL 23 HG23 VAL 23 -0.176 -2.414 5.415 144 H ARG 24 H ARG 24 -0.328 -6.356 4.975 145 HA ARG 24 HA ARG 24 -2.946 -5.407 5.594 146 HB2 ARG 24 HB2 ARG 24 -2.299 -6.697 3.574 147 HB3 ARG 24 HB3 ARG 24 -2.062 -8.134 4.568 148 HG2 ARG 24 HG2 ARG 24 -4.155 -8.240 3.344 149 HG3 ARG 24 HG3 ARG 24 -4.471 -8.218 5.071 150 HD2 ARG 24 HD2 ARG 24 -4.627 -5.735 3.307 151 HD3 ARG 24 HD3 ARG 24 -5.996 -6.824 3.556 152 HE ARG 24 HE ARG 24 -5.173 -6.223 6.125 153 HH11 ARG 24 HH11 ARG 24 -6.189 -4.137 3.466 154 HH12 ARG 24 HH12 ARG 24 -6.643 -2.873 4.586 155 HH21 ARG 24 HH21 ARG 24 -5.821 -4.547 7.412 156 HH22 ARG 24 HH22 ARG 24 -6.438 -3.087 6.679 157 H ASP 25 H ASP 25 -0.973 -7.918 7.133 158 HA ASP 25 HA ASP 25 -3.087 -8.517 9.099 159 HB2 ASP 25 HB2 ASP 25 -1.638 -10.266 7.961 160 HB3 ASP 25 HB3 ASP 25 -0.289 -9.685 8.938 161 H ASN 26 H ASN 26 -1.411 -5.890 8.906 162 HA ASN 26 HA ASN 26 -0.709 -4.277 10.256 163 HB2 ASN 26 HB2 ASN 26 -2.994 -4.903 11.213 164 HB3 ASN 26 HB3 ASN 26 -2.142 -5.708 12.515 165 HD21 ASN 26 HD21 ASN 26 -1.946 -4.413 14.325 166 HD22 ASN 26 HD22 ASN 26 -1.868 -2.657 14.290 167 H ARG 27 H ARG 27 1.071 -6.701 10.066 168 HA ARG 27 HA ARG 27 2.698 -6.548 12.540 169 HB2 ARG 27 HB2 ARG 27 3.451 -7.948 9.952 170 HB3 ARG 27 HB3 ARG 27 4.068 -8.226 11.568 171 HG2 ARG 27 HG2 ARG 27 1.300 -8.924 10.533 172 HG3 ARG 27 HG3 ARG 27 2.621 -10.042 10.836 173 HD2 ARG 27 HD2 ARG 27 2.515 -9.613 13.253 174 HD3 ARG 27 HD3 ARG 27 1.253 -8.390 12.995 175 HE ARG 27 HE ARG 27 0.210 -10.614 11.760 176 HH11 ARG 27 HH11 ARG 27 1.198 -10.076 15.092 177 HH12 ARG 27 HH12 ARG 27 0.062 -11.269 15.676 178 HH21 ARG 27 HH21 ARG 27 -1.138 -11.960 12.504 179 HH22 ARG 27 HH22 ARG 27 -1.266 -12.353 14.215 180 H LEU 28 H LEU 28 2.657 -5.142 9.324 181 HA LEU 28 HA LEU 28 5.303 -3.817 9.777 182 HB2 LEU 28 HB2 LEU 28 4.857 -5.750 8.006 183 HB3 LEU 28 HB3 LEU 28 4.110 -4.480 7.081 184 HG LEU 28 HG LEU 28 6.318 -4.875 6.297 185 HD11 LEU 28 HD11 LEU 28 6.594 -2.362 7.915 186 HD12 LEU 28 HD12 LEU 28 5.597 -2.493 6.446 187 HD13 LEU 28 HD13 LEU 28 7.353 -2.771 6.369 188 HD21 LEU 28 HD21 LEU 28 8.345 -4.627 7.640 189 HD22 LEU 28 HD22 LEU 28 7.311 -5.881 8.355 190 HD23 LEU 28 HD23 LEU 28 7.398 -4.250 9.084 191 H SER 29 H SER 29 5.404 -1.578 9.335 192 HA SER 29 HA SER 29 2.827 -0.128 9.248 193 HB2 SER 29 HB2 SER 29 5.650 0.894 9.664 194 HB3 SER 29 HB3 SER 29 4.148 1.829 9.849 195 HG SER 29 HG SER 29 4.968 0.987 11.857 196 H ILE 30 H ILE 30 2.517 1.760 7.868 197 HA ILE 30 HA ILE 30 2.867 1.363 5.073 198 HB ILE 30 HB ILE 30 2.521 3.982 6.605 199 HG12 ILE 30 HG12 ILE 30 0.722 2.455 7.232 200 HG13 ILE 30 HG13 ILE 30 0.148 3.823 6.300 201 HG21 ILE 30 HG21 ILE 30 3.153 4.492 4.330 202 HG22 ILE 30 HG22 ILE 30 1.998 3.323 3.681 203 HG23 ILE 30 HG23 ILE 30 1.411 4.780 4.484 204 HD11 ILE 30 HD11 ILE 30 0.537 0.997 5.218 205 HD12 ILE 30 HD12 ILE 30 -1.002 1.800 5.629 206 HD13 ILE 30 HD13 ILE 30 -0.033 2.408 4.286 207 H GLU 31 H GLU 31 4.727 3.579 7.228 208 HA GLU 31 HA GLU 31 6.496 4.428 5.128 209 HB2 GLU 31 HB2 GLU 31 6.781 4.583 8.157 210 HB3 GLU 31 HB3 GLU 31 7.838 5.396 7.002 211 HG2 GLU 31 HG2 GLU 31 5.865 6.614 6.067 212 HG3 GLU 31 HG3 GLU 31 4.831 5.866 7.275 213 H GLN 32 H GLN 32 6.663 1.712 7.378 214 HA GLN 32 HA GLN 32 9.461 1.098 6.851 215 HB2 GLN 32 HB2 GLN 32 7.180 -0.316 8.245 216 HB3 GLN 32 HB3 GLN 32 8.771 -1.062 8.057 217 HG2 GLN 32 HG2 GLN 32 8.181 1.568 9.493 218 HG3 GLN 32 HG3 GLN 32 8.455 0.009 10.261 219 HE21 GLN 32 HE21 GLN 32 10.679 -1.033 9.875 220 HE22 GLN 32 HE22 GLN 32 12.032 0.064 9.645 221 H ALA 33 H ALA 33 6.272 -0.033 5.571 222 HA ALA 33 HA ALA 33 7.439 -1.976 3.825 223 HB1 ALA 33 HB1 ALA 33 5.220 -1.785 2.615 224 HB2 ALA 33 HB2 ALA 33 5.105 -2.152 4.338 225 HB3 ALA 33 HB3 ALA 33 4.780 -0.491 3.760 226 H VAL 34 H VAL 34 6.989 1.532 3.472 227 HA VAL 34 HA VAL 34 7.758 1.613 0.665 228 HB VAL 34 HB VAL 34 7.624 3.771 2.801 229 HG11 VAL 34 HG11 VAL 34 8.159 4.015 -0.186 230 HG12 VAL 34 HG12 VAL 34 7.709 5.367 0.886 231 HG13 VAL 34 HG13 VAL 34 9.235 4.521 1.134 232 HG21 VAL 34 HG21 VAL 34 5.618 4.477 1.648 233 HG22 VAL 34 HG22 VAL 34 5.825 3.226 0.402 234 HG23 VAL 34 HG23 VAL 34 5.426 2.776 2.055 235 H THR 35 H THR 35 9.548 2.016 3.786 236 HA THR 35 HA THR 35 11.983 2.612 2.411 237 HB THR 35 HB THR 35 11.290 3.104 4.869 238 HG1 THR 35 HG1 THR 35 13.435 3.533 5.254 239 HG21 THR 35 HG21 THR 35 11.323 0.713 5.667 240 HG22 THR 35 HG22 THR 35 12.407 1.779 6.550 241 HG23 THR 35 HG23 THR 35 13.056 0.662 5.326 242 H LEU 36 H LEU 36 10.546 -0.467 3.253 243 HA LEU 36 HA LEU 36 12.956 -1.998 2.537 244 HB2 LEU 36 HB2 LEU 36 10.115 -2.825 3.238 245 HB3 LEU 36 HB3 LEU 36 11.445 -3.944 2.955 246 HG LEU 36 HG LEU 36 11.315 -1.907 5.221 247 HD11 LEU 36 HD11 LEU 36 11.101 -4.939 5.213 248 HD12 LEU 36 HD12 LEU 36 9.757 -3.796 5.474 249 HD13 LEU 36 HD13 LEU 36 11.075 -3.887 6.649 250 HD21 LEU 36 HD21 LEU 36 13.285 -3.104 6.121 251 HD22 LEU 36 HD22 LEU 36 13.630 -2.216 4.639 252 HD23 LEU 36 HD23 LEU 36 13.429 -3.986 4.581 253 H LEU 37 H LEU 37 10.369 -0.622 0.729 254 HA LEU 37 HA LEU 37 10.205 -2.579 -1.384 255 HB2 LEU 37 HB2 LEU 37 8.439 -0.926 -0.825 256 HB3 LEU 37 HB3 LEU 37 9.526 0.379 -1.268 257 HG LEU 37 HG LEU 37 9.528 -0.537 -3.652 258 HD11 LEU 37 HD11 LEU 37 7.190 -2.156 -2.558 259 HD12 LEU 37 HD12 LEU 37 8.719 -2.826 -3.166 260 HD13 LEU 37 HD13 LEU 37 7.624 -1.972 -4.267 261 HD21 LEU 37 HD21 LEU 37 6.951 0.378 -2.358 262 HD22 LEU 37 HD22 LEU 37 7.301 0.423 -4.113 263 HD23 LEU 37 HD23 LEU 37 8.250 1.409 -2.992 264 H THR 38 H THR 38 12.254 0.259 -0.859 265 HA THR 38 HA THR 38 12.763 1.249 -3.243 266 HB THR 38 HB THR 38 14.954 0.851 -1.202 267 HG1 THR 38 HG1 THR 38 14.138 2.709 -0.302 268 HG21 THR 38 HG21 THR 38 15.807 1.891 -3.273 269 HG22 THR 38 HG22 THR 38 15.686 3.118 -2.013 270 HG23 THR 38 HG23 THR 38 14.445 3.046 -3.287 271 HA PRO 39 HA PRO 39 14.663 -2.119 -5.593 272 HB2 PRO 39 HB2 PRO 39 14.774 0.049 -7.704 273 HB3 PRO 39 HB3 PRO 39 14.290 -1.674 -7.862 274 HG2 PRO 39 HG2 PRO 39 12.386 0.242 -7.699 275 HG3 PRO 39 HG3 PRO 39 12.218 -1.266 -6.737 276 HD2 PRO 39 HD2 PRO 39 13.274 1.434 -5.834 277 HD3 PRO 39 HD3 PRO 39 12.041 0.384 -5.062 278 H ARG 40 H ARG 40 16.689 -2.713 -6.350 279 HA ARG 40 HA ARG 40 18.965 -1.089 -5.385 280 HB2 ARG 40 HB2 ARG 40 18.767 -3.963 -6.366 281 HB3 ARG 40 HB3 ARG 40 20.242 -3.197 -5.762 282 HG2 ARG 40 HG2 ARG 40 19.151 -2.768 -3.571 283 HG3 ARG 40 HG3 ARG 40 17.686 -3.591 -4.142 284 HD2 ARG 40 HD2 ARG 40 19.005 -5.651 -4.526 285 HD3 ARG 40 HD3 ARG 40 20.450 -4.837 -3.900 286 HE ARG 40 HE ARG 40 18.394 -4.611 -1.945 287 HH11 ARG 40 HH11 ARG 40 20.407 -7.160 -3.281 288 HH12 ARG 40 HH12 ARG 40 20.279 -8.129 -1.836 289 HH21 ARG 40 HH21 ARG 40 18.285 -5.911 -0.142 290 HH22 ARG 40 HH22 ARG 40 19.117 -7.438 -0.121 291 H ARG 41 H ARG 41 17.438 -1.037 -8.191 292 HA ARG 41 HA ARG 41 19.855 -0.467 -9.863 293 HB2 ARG 41 HB2 ARG 41 18.615 -2.654 -10.372 294 HB3 ARG 41 HB3 ARG 41 17.228 -1.674 -10.802 295 HG2 ARG 41 HG2 ARG 41 18.342 -2.336 -12.822 296 HG3 ARG 41 HG3 ARG 41 18.568 -0.603 -12.635 297 HD2 ARG 41 HD2 ARG 41 20.637 -1.591 -13.389 298 HD3 ARG 41 HD3 ARG 41 20.880 -1.037 -11.731 299 HE ARG 41 HE ARG 41 20.055 -3.798 -11.746 300 HH11 ARG 41 HH11 ARG 41 22.904 -1.892 -12.468 301 HH12 ARG 41 HH12 ARG 41 23.988 -3.195 -12.083 302 HH21 ARG 41 HH21 ARG 41 21.485 -5.438 -11.320 303 HH22 ARG 41 HH22 ARG 41 23.198 -5.160 -11.471 304 H GLY 42 H GLY 42 19.735 1.291 -11.270 305 HA2 GLY 42 HA2 GLY 42 18.193 3.548 -10.489 306 HA3 GLY 42 HA3 GLY 42 19.159 3.398 -11.955 307 H GLY 43 H GLY 43 17.234 0.992 -12.630 308 HA2 GLY 43 HA2 GLY 43 15.264 2.460 -14.191 309 HA3 GLY 43 HA3 GLY 43 15.447 0.702 -14.060 310 H GLY 44 H GLY 44 15.155 1.726 -10.900 311 HA2 GLY 44 HA2 GLY 44 12.584 0.668 -10.455 312 HA3 GLY 44 HA3 GLY 44 13.445 1.721 -9.343 313 H SER 45 H SER 45 10.592 1.590 -9.857 314 HA SER 45 HA SER 45 9.741 3.754 -11.556 315 HB2 SER 45 HB2 SER 45 8.436 1.694 -11.036 316 HB3 SER 45 HB3 SER 45 8.151 2.310 -9.405 317 HG SER 45 HG SER 45 6.888 3.889 -10.208 318 H GLY 46 H GLY 46 8.856 5.741 -11.062 319 HA2 GLY 46 HA2 GLY 46 8.277 6.843 -8.554 320 HA3 GLY 46 HA3 GLY 46 9.952 7.292 -8.911 321 H GLY 47 H GLY 47 7.842 9.155 -8.583 322 HA2 GLY 47 HA2 GLY 47 8.205 11.027 -10.582 323 HA3 GLY 47 HA3 GLY 47 6.819 10.084 -11.141 324 H GLY 48 H GLY 48 5.860 12.281 -10.967 325 HA2 GLY 48 HA2 GLY 48 5.148 13.412 -8.396 326 HA3 GLY 48 HA3 GLY 48 4.479 13.850 -9.975 327 H SER 49 H SER 49 3.988 10.627 -9.851 328 HA SER 49 HA SER 49 1.580 10.517 -8.143 329 HB2 SER 49 HB2 SER 49 0.885 11.356 -10.436 330 HB3 SER 49 HB3 SER 49 1.444 9.809 -11.098 331 HG SER 49 HG SER 49 -0.825 9.878 -10.565 332 H MET 50 H MET 50 0.649 8.222 -8.307 333 HA MET 50 HA MET 50 0.932 6.110 -7.531 334 HB2 MET 50 HB2 MET 50 2.877 5.882 -9.860 335 HB3 MET 50 HB3 MET 50 2.145 4.530 -8.997 336 HG2 MET 50 HG2 MET 50 -0.074 5.143 -9.744 337 HG3 MET 50 HG3 MET 50 0.541 6.642 -10.449 338 HE1 MET 50 HE1 MET 50 2.118 2.959 -10.683 339 HE2 MET 50 HE2 MET 50 0.370 2.700 -10.821 340 HE3 MET 50 HE3 MET 50 1.418 2.432 -12.226 341 H ASP 51 H ASP 51 2.262 7.822 -5.934 342 HA ASP 51 HA ASP 51 4.906 6.840 -5.250 343 HB2 ASP 51 HB2 ASP 51 4.060 9.134 -4.770 344 HB3 ASP 51 HB3 ASP 51 2.935 8.422 -3.592 345 H ALA 52 H ALA 52 5.477 5.493 -3.615 346 HA ALA 52 HA ALA 52 3.826 3.176 -3.253 347 HB1 ALA 52 HB1 ALA 52 6.420 3.977 -1.880 348 HB2 ALA 52 HB2 ALA 52 5.693 2.358 -1.869 349 HB3 ALA 52 HB3 ALA 52 6.259 3.062 -3.390 350 H LYS 53 H LYS 53 4.568 5.882 -1.068 351 HA LYS 53 HA LYS 53 3.359 4.867 1.313 352 HB2 LYS 53 HB2 LYS 53 4.842 6.939 0.981 353 HB3 LYS 53 HB3 LYS 53 3.419 7.811 0.452 354 HG2 LYS 53 HG2 LYS 53 3.617 6.373 3.125 355 HG3 LYS 53 HG3 LYS 53 4.171 8.021 2.901 356 HD2 LYS 53 HD2 LYS 53 1.913 8.814 2.442 357 HD3 LYS 53 HD3 LYS 53 1.297 7.169 2.378 358 HE2 LYS 53 HE2 LYS 53 2.145 6.870 4.773 359 HE3 LYS 53 HE3 LYS 53 2.319 8.626 4.815 360 HZ1 LYS 53 HZ1 LYS 53 -0.211 7.159 4.182 361 HZ2 LYS 53 HZ2 LYS 53 -0.075 8.787 4.277 362 HZ3 LYS 53 HZ3 LYS 53 0.109 7.876 5.623 363 H GLU 54 H GLU 54 1.912 6.871 -1.214 364 HA GLU 54 HA GLU 54 -0.761 6.922 -0.224 365 HB2 GLU 54 HB2 GLU 54 0.172 8.471 -1.926 366 HB3 GLU 54 HB3 GLU 54 0.300 7.145 -3.066 367 HG2 GLU 54 HG2 GLU 54 -1.605 8.445 -3.639 368 HG3 GLU 54 HG3 GLU 54 -2.164 6.872 -3.087 369 H ILE 55 H ILE 55 0.825 4.648 -2.495 370 HA ILE 55 HA ILE 55 -1.482 3.035 -3.026 371 HB ILE 55 HB ILE 55 1.491 2.425 -3.151 372 HG12 ILE 55 HG12 ILE 55 -0.446 2.780 -5.468 373 HG13 ILE 55 HG13 ILE 55 0.300 4.182 -4.719 374 HG21 ILE 55 HG21 ILE 55 0.437 0.282 -2.925 375 HG22 ILE 55 HG22 ILE 55 -0.917 0.763 -3.977 376 HG23 ILE 55 HG23 ILE 55 0.686 0.485 -4.663 377 HD11 ILE 55 HD11 ILE 55 1.878 1.879 -5.949 378 HD12 ILE 55 HD12 ILE 55 1.576 3.459 -6.689 379 HD13 ILE 55 HD13 ILE 55 2.557 3.334 -5.219 380 H LEU 56 H LEU 56 1.122 2.553 -0.560 381 HA LEU 56 HA LEU 56 -0.111 0.267 0.643 382 HB2 LEU 56 HB2 LEU 56 2.004 2.252 1.474 383 HB3 LEU 56 HB3 LEU 56 1.250 1.271 2.716 384 HG LEU 56 HG LEU 56 3.219 0.204 2.219 385 HD11 LEU 56 HD11 LEU 56 1.166 -1.262 2.357 386 HD12 LEU 56 HD12 LEU 56 2.591 -1.981 1.558 387 HD13 LEU 56 HD13 LEU 56 1.230 -1.411 0.590 388 HD21 LEU 56 HD21 LEU 56 3.820 1.187 0.144 389 HD22 LEU 56 HD22 LEU 56 2.497 0.335 -0.709 390 HD23 LEU 56 HD23 LEU 56 3.881 -0.571 -0.016 391 H THR 57 H THR 57 -0.558 3.748 1.274 392 HA THR 57 HA THR 57 -2.169 3.461 3.611 393 HB THR 57 HB THR 57 -2.231 5.683 1.537 394 HG1 THR 57 HG1 THR 57 -0.229 5.393 2.491 395 HG21 THR 57 HG21 THR 57 -3.053 7.069 3.421 396 HG22 THR 57 HG22 THR 57 -3.196 5.613 4.427 397 HG23 THR 57 HG23 THR 57 -4.210 5.810 2.984 398 H ARG 58 H ARG 58 -3.139 3.659 0.156 399 HA ARG 58 HA ARG 58 -5.980 3.281 0.630 400 HB2 ARG 58 HB2 ARG 58 -4.264 2.762 -1.840 401 HB3 ARG 58 HB3 ARG 58 -6.038 2.689 -1.799 402 HG2 ARG 58 HG2 ARG 58 -6.203 5.045 -1.213 403 HG3 ARG 58 HG3 ARG 58 -4.438 5.185 -1.137 404 HD2 ARG 58 HD2 ARG 58 -4.341 4.442 -3.555 405 HD3 ARG 58 HD3 ARG 58 -6.112 4.523 -3.593 406 HE ARG 58 HE ARG 58 -4.720 6.965 -2.653 407 HH11 ARG 58 HH12 ARG 58 -6.120 5.505 -5.533 408 HH12 ARG 58 HH11 ARG 58 -6.212 7.058 -6.324 409 HH21 ARG 58 HH21 ARG 58 -4.805 8.744 -3.657 410 HH22 ARG 58 HH22 ARG 58 -5.477 8.896 -5.286 411 H PHE 59 H PHE 59 -3.362 0.937 -0.112 412 HA PHE 59 HA PHE 59 -5.015 -1.386 -0.195 413 HB2 PHE 59 HB2 PHE 59 -2.759 -1.363 -1.087 414 HB3 PHE 59 HB3 PHE 59 -2.092 -0.967 0.499 415 HD1 PHE 59 HD2 PHE 59 -4.389 -3.555 -1.030 416 HD2 PHE 59 HD1 PHE 59 -1.113 -2.758 1.672 417 HE1 PHE 59 HE2 PHE 59 -4.315 -5.956 -0.389 418 HE2 PHE 59 HE1 PHE 59 -0.993 -5.162 2.233 419 HZ PHE 59 HZ PHE 59 -2.608 -6.766 1.225 420 H LYS 60 H LYS 60 -3.245 0.067 2.602 421 HA LYS 60 HA LYS 60 -4.162 -1.973 4.388 422 HB2 LYS 60 HB2 LYS 60 -2.101 -0.522 4.628 423 HB3 LYS 60 HB3 LYS 60 -3.168 0.767 5.211 424 HG2 LYS 60 HG2 LYS 60 -3.946 -0.760 7.043 425 HG3 LYS 60 HG3 LYS 60 -2.868 -2.028 6.427 426 HD2 LYS 60 HD2 LYS 60 -0.934 -0.437 6.782 427 HD3 LYS 60 HD3 LYS 60 -2.043 0.680 7.567 428 HE2 LYS 60 HE2 LYS 60 -1.554 -2.210 8.447 429 HE3 LYS 60 HE3 LYS 60 -0.669 -0.821 9.092 430 HZ1 LYS 60 HZ1 LYS 60 -3.602 -1.216 9.320 431 HZ2 LYS 60 HZ2 LYS 60 -2.788 0.083 9.879 432 HZ3 LYS 60 HZ3 LYS 60 -2.504 -1.391 10.522 433 H ASP 61 H ASP 61 -5.478 1.232 3.633 434 HA ASP 61 HA ASP 61 -7.661 1.132 5.509 435 HB2 ASP 61 HB2 ASP 61 -6.790 3.181 4.433 436 HB3 ASP 61 HB3 ASP 61 -7.348 2.606 2.863 437 H GLY 62 H GLY 62 -7.146 -0.661 2.590 438 HA2 GLY 62 HA2 GLY 62 -8.450 -2.380 1.722 439 HA3 GLY 62 HA3 GLY 62 -9.799 -1.910 2.753 440 H GLY 63 H GLY 63 -8.469 0.710 0.955 441 HA2 GLY 63 HA2 GLY 63 -10.758 0.890 -0.913 442 HA3 GLY 63 HA3 GLY 63 -9.465 2.066 -0.672 443 H LEU 64 H LEU 64 -7.782 -0.708 -0.960 444 HA LEU 64 HA LEU 64 -7.752 -0.887 -3.932 445 HB2 LEU 64 HB2 LEU 64 -6.018 0.768 -2.924 446 HB3 LEU 64 HB3 LEU 64 -5.262 -0.645 -2.210 447 HG LEU 64 HG LEU 64 -4.993 -1.562 -4.568 448 HD11 LEU 64 HD11 LEU 64 -5.030 0.137 -6.389 449 HD12 LEU 64 HD12 LEU 64 -5.691 1.321 -5.248 450 HD13 LEU 64 HD13 LEU 64 -6.642 -0.111 -5.709 451 HD21 LEU 64 HD21 LEU 64 -3.044 -0.113 -5.033 452 HD22 LEU 64 HD22 LEU 64 -3.143 -0.521 -3.316 453 HD23 LEU 64 HD23 LEU 64 -3.645 1.087 -3.876 454 H ASP 65 H ASP 65 -7.334 -2.945 -4.714 455 HA ASP 65 HA ASP 65 -7.283 -5.190 -2.813 456 HB2 ASP 65 HB2 ASP 65 -7.091 -5.315 -5.831 457 HB3 ASP 65 HB3 ASP 65 -7.530 -6.606 -4.721 458 H ARG 66 H ARG 66 -5.652 -6.925 -2.897 459 HA ARG 66 HA ARG 66 -2.992 -5.868 -2.766 460 HB2 ARG 66 HB2 ARG 66 -4.023 -7.901 -1.507 461 HB3 ARG 66 HB3 ARG 66 -3.581 -8.837 -2.944 462 HG2 ARG 66 HG2 ARG 66 -1.207 -8.241 -2.634 463 HG3 ARG 66 HG3 ARG 66 -1.649 -7.075 -1.384 464 HD2 ARG 66 HD2 ARG 66 -0.806 -8.902 -0.202 465 HD3 ARG 66 HD3 ARG 66 -2.548 -9.022 0.007 466 HE ARG 66 HE ARG 66 -0.736 -10.792 -1.580 467 HH11 ARG 66 HH11 ARG 66 -4.092 -10.323 -0.621 468 HH12 ARG 66 HH12 ARG 66 -4.495 -11.956 -1.070 469 HH21 ARG 66 HH21 ARG 66 -1.254 -12.698 -2.041 470 HH22 ARG 66 HH22 ARG 66 -2.896 -13.324 -1.881 471 H ALA 67 H ALA 67 -4.617 -7.648 -5.354 472 HA ALA 67 HA ALA 67 -2.357 -7.976 -7.086 473 HB1 ALA 67 HB1 ALA 67 -5.329 -7.641 -7.689 474 HB2 ALA 67 HB2 ALA 67 -4.097 -8.277 -8.817 475 HB3 ALA 67 HB3 ALA 67 -4.495 -9.181 -7.343 476 H ALA 68 H ALA 68 -4.640 -5.260 -6.656 477 HA ALA 68 HA ALA 68 -3.493 -3.644 -8.777 478 HB1 ALA 68 HB1 ALA 68 -5.286 -2.889 -6.442 479 HB2 ALA 68 HB2 ALA 68 -4.918 -1.873 -7.850 480 HB3 ALA 68 HB3 ALA 68 -5.832 -3.380 -8.064 481 H ALA 69 H ALA 69 -3.019 -3.795 -5.209 482 HA ALA 69 HA ALA 69 -1.139 -1.673 -5.028 483 HB1 ALA 69 HB1 ALA 69 -0.485 -2.718 -2.912 484 HB2 ALA 69 HB2 ALA 69 -2.252 -2.803 -3.094 485 HB3 ALA 69 HB3 ALA 69 -1.262 -4.241 -3.389 486 H GLN 70 H GLN 70 -0.552 -5.182 -5.694 487 HA GLN 70 HA GLN 70 2.269 -5.024 -6.036 488 HB2 GLN 70 HB2 GLN 70 0.194 -6.818 -7.348 489 HB3 GLN 70 HB3 GLN 70 1.941 -7.026 -7.561 490 HG2 GLN 70 HG2 GLN 70 2.293 -7.475 -5.259 491 HG3 GLN 70 HG3 GLN 70 0.656 -7.007 -4.818 492 HE21 GLN 70 HE21 GLN 70 1.012 -9.254 -3.757 493 HE22 GLN 70 HE22 GLN 70 0.484 -10.623 -4.716 494 H ALA 71 H ALA 71 -0.317 -4.596 -8.529 495 HA ALA 71 HA ALA 71 1.371 -4.133 -10.748 496 HB1 ALA 71 HB1 ALA 71 -1.050 -4.570 -10.908 497 HB2 ALA 71 HB2 ALA 71 -1.405 -3.003 -10.133 498 HB3 ALA 71 HB3 ALA 71 -0.627 -3.052 -11.727 499 H LEU 72 H LEU 72 -0.170 -1.688 -8.607 500 HA LEU 72 HA LEU 72 1.011 0.572 -9.870 501 HB2 LEU 72 HB2 LEU 72 -0.417 0.031 -7.256 502 HB3 LEU 72 HB3 LEU 72 0.222 1.619 -7.613 503 HG LEU 72 HG LEU 72 -1.258 2.135 -9.231 504 HD11 LEU 72 HD11 LEU 72 -2.107 -0.751 -9.655 505 HD12 LEU 72 HD12 LEU 72 -1.110 0.221 -10.761 506 HD13 LEU 72 HD13 LEU 72 -2.789 0.680 -10.455 507 HD21 LEU 72 HD21 LEU 72 -3.479 1.626 -8.351 508 HD22 LEU 72 HD22 LEU 72 -2.343 1.816 -6.999 509 HD23 LEU 72 HD23 LEU 72 -2.849 0.189 -7.520 510 H LEU 73 H LEU 73 2.113 -1.314 -6.994 511 HA LEU 73 HA LEU 73 4.348 0.438 -6.409 512 HB2 LEU 73 HB2 LEU 73 3.793 -2.484 -5.773 513 HB3 LEU 73 HB3 LEU 73 5.229 -1.637 -5.215 514 HG LEU 73 HG LEU 73 2.372 -0.850 -4.504 515 HD11 LEU 73 HD11 LEU 73 2.920 -1.673 -2.266 516 HD12 LEU 73 HD12 LEU 73 4.539 -2.167 -2.833 517 HD13 LEU 73 HD13 LEU 73 3.084 -2.961 -3.475 518 HD21 LEU 73 HD21 LEU 73 5.000 0.261 -3.509 519 HD22 LEU 73 HD22 LEU 73 3.406 0.628 -2.831 520 HD23 LEU 73 HD23 LEU 73 3.795 1.134 -4.471 521 H ALA 74 H ALA 74 4.033 -2.353 -8.589 522 HA ALA 74 HA ALA 74 6.837 -2.302 -9.405 523 HB1 ALA 74 HB1 ALA 74 6.113 -3.934 -11.072 524 HB2 ALA 74 HB2 ALA 74 5.471 -4.350 -9.475 525 HB3 ALA 74 HB3 ALA 74 4.408 -3.615 -10.695 526 H GLY 75 H GLY 75 4.472 0.010 -9.978 527 HA2 GLY 75 HA2 GLY 75 4.467 1.835 -11.373 528 HA3 GLY 75 HA3 GLY 75 5.921 1.243 -12.184 529 H ARG 76 H ARG 76 3.197 -0.903 -12.006 530 HA ARG 76 HA ARG 76 2.584 -0.599 -14.928 531 HB2 ARG 76 HB2 ARG 76 2.235 -3.036 -13.132 532 HB3 ARG 76 HB3 ARG 76 1.977 -2.971 -14.868 533 HG2 ARG 76 HG2 ARG 76 4.647 -2.760 -13.414 534 HG3 ARG 76 HG3 ARG 76 4.060 -4.109 -14.383 535 HD2 ARG 76 HD2 ARG 76 4.707 -1.324 -15.429 536 HD3 ARG 76 HD3 ARG 76 5.744 -2.747 -15.568 537 HE ARG 76 HE ARG 76 3.352 -3.562 -16.717 538 HH11 ARG 76 HH11 ARG 76 5.608 -0.980 -17.432 539 HH12 ARG 76 HH12 ARG 76 5.160 -0.942 -19.118 540 HH21 ARG 76 HH21 ARG 76 2.826 -3.449 -18.874 541 HH22 ARG 76 HH22 ARG 76 3.641 -2.304 -19.899 542 H THR 77 H THR 77 0.292 -1.627 -15.321 543 HA THR 77 HA THR 77 -1.651 -0.650 -13.282 544 HB THR 77 HB THR 77 -3.283 -0.343 -15.156 545 HG1 THR 77 HG1 THR 77 -2.419 -0.149 -17.231 546 HG21 THR 77 HG21 THR 77 -0.777 1.383 -15.358 547 HG22 THR 77 HG22 THR 77 -2.064 1.564 -14.158 548 HG23 THR 77 HG23 THR 77 -2.407 1.826 -15.876 549 HA PRO 78 HA PRO 78 -3.203 -4.738 -12.956 550 HB2 PRO 78 HB2 PRO 78 -5.989 -3.591 -13.169 551 HB3 PRO 78 HB3 PRO 78 -5.342 -4.736 -11.964 552 HG2 PRO 78 HG2 PRO 78 -5.603 -2.132 -11.312 553 HG3 PRO 78 HG3 PRO 78 -4.095 -2.999 -10.871 554 HD2 PRO 78 HD2 PRO 78 -4.566 -1.147 -13.225 555 HD3 PRO 78 HD3 PRO 78 -3.202 -1.214 -12.062 556 H ALA 79 H ALA 79 -3.796 -6.484 -14.197 557 HA ALA 79 HA ALA 79 -4.315 -6.000 -17.067 558 HB1 ALA 79 HB1 ALA 79 -3.470 -8.524 -15.589 559 HB2 ALA 79 HB2 ALA 79 -3.523 -8.294 -17.352 560 HB3 ALA 79 HB3 ALA 79 -2.374 -7.363 -16.379 561 H ALA 80 H ALA 80 -5.787 -7.265 -18.282 562 HA ALA 80 HA ALA 80 -7.923 -8.785 -16.962 563 HB1 ALA 80 HB1 ALA 80 -8.773 -6.441 -16.871 564 HB2 ALA 80 HB2 ALA 80 -8.513 -6.282 -18.620 565 HB3 ALA 80 HB3 ALA 80 -9.725 -7.424 -18.004 566 H ALA 81 H ALA 81 -9.117 -10.097 -18.420 567 HA ALA 81 HA ALA 81 -7.725 -10.778 -20.913 568 HB1 ALA 81 HB1 ALA 81 -10.101 -12.069 -19.534 569 HB2 ALA 81 HB2 ALA 81 -9.222 -12.711 -20.944 570 HB3 ALA 81 HB3 ALA 81 -8.396 -12.558 -19.384 571 HA PRO 82 HA PRO 82 -10.801 -8.394 -23.200 572 HB2 PRO 82 HB2 PRO 82 -9.751 -8.493 -25.699 573 HB3 PRO 82 HB3 PRO 82 -8.891 -7.678 -24.363 574 HG2 PRO 82 HG2 PRO 82 -8.501 -10.527 -25.360 575 HG3 PRO 82 HG3 PRO 82 -7.242 -9.264 -25.124 576 HD2 PRO 82 HD2 PRO 82 -7.802 -11.154 -23.220 577 HD3 PRO 82 HD3 PRO 82 -7.321 -9.485 -22.787 578 H ARG 83 H ARG 83 -10.928 -11.494 -22.899 579 HA ARG 83 HA ARG 83 -13.203 -11.989 -24.723 580 HB2 ARG 83 HB2 ARG 83 -11.109 -12.701 -25.907 581 HB3 ARG 83 HB3 ARG 83 -10.790 -13.854 -24.602 582 HG2 ARG 83 HG2 ARG 83 -12.899 -15.039 -25.158 583 HG3 ARG 83 HG3 ARG 83 -13.255 -13.822 -26.407 584 HD2 ARG 83 HD2 ARG 83 -11.199 -14.475 -27.641 585 HD3 ARG 83 HD3 ARG 83 -10.826 -15.658 -26.375 586 HE ARG 83 HE ARG 83 -12.453 -17.096 -27.183 587 HH11 ARG 83 HH11 ARG 83 -12.846 -14.070 -28.915 588 HH12 ARG 83 HH12 ARG 83 -13.938 -14.780 -30.075 589 HH21 ARG 83 HH21 ARG 83 -13.840 -17.921 -28.676 590 HH22 ARG 83 HH22 ARG 83 -14.483 -16.903 -29.940 591 HA PRO 84 HA PRO 84 -14.791 -13.958 -21.023 592 HB2 PRO 84 HB2 PRO 84 -16.233 -15.765 -22.969 593 HB3 PRO 84 HB3 PRO 84 -16.870 -14.931 -21.526 594 HG2 PRO 84 HG2 PRO 84 -17.335 -13.908 -23.985 595 HG3 PRO 84 HG3 PRO 84 -16.840 -12.809 -22.652 596 HD2 PRO 84 HD2 PRO 84 -15.133 -13.997 -24.852 597 HD3 PRO 84 HD3 PRO 84 -15.202 -12.314 -24.248 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 27.179 -19.182 -9.527 2 H2 GLY 1 H2 GLY 1 28.253 -20.383 -9.818 3 H3 GLY 1 H3 GLY 1 27.057 -20.075 -10.895 4 HA2 GLY 1 HA2 GLY 1 29.139 -19.228 -11.724 5 HA3 GLY 1 HA3 GLY 1 27.961 -17.940 -11.421 6 HA PRO 2 HA PRO 2 31.737 -16.420 -9.315 7 HB2 PRO 2 HB2 PRO 2 30.045 -13.919 -9.399 8 HB3 PRO 2 HB3 PRO 2 31.796 -14.121 -9.729 9 HG2 PRO 2 HG2 PRO 2 30.039 -13.874 -11.775 10 HG3 PRO 2 HG3 PRO 2 31.346 -15.102 -11.876 11 HD2 PRO 2 HD2 PRO 2 28.446 -15.474 -11.062 12 HD3 PRO 2 HD3 PRO 2 29.429 -16.448 -12.195 13 H GLY 3 H GLY 3 32.150 -15.315 -7.228 14 HA2 GLY 3 HA2 GLY 3 30.475 -16.284 -5.086 15 HA3 GLY 3 HA3 GLY 3 31.919 -15.288 -4.930 16 H SER 4 H SER 4 29.977 -13.542 -6.955 17 HA SER 4 HA SER 4 28.334 -12.211 -4.871 18 HB2 SER 4 HB2 SER 4 29.072 -10.002 -5.646 19 HB3 SER 4 HB3 SER 4 30.399 -10.931 -4.934 20 HG SER 4 HG SER 4 31.017 -9.900 -6.878 21 H TYR 5 H TYR 5 26.708 -10.753 -5.746 22 HA TYR 5 HA TYR 5 25.825 -11.224 -8.528 23 HB2 TYR 5 HB2 TYR 5 24.977 -13.096 -7.053 24 HB3 TYR 5 HB3 TYR 5 24.060 -11.903 -6.152 25 HD1 TYR 5 HD1 TYR 5 24.584 -13.317 -9.590 26 HD2 TYR 5 HD2 TYR 5 21.893 -11.256 -6.923 27 HE1 TYR 5 HE1 TYR 5 22.752 -13.543 -11.271 28 HE2 TYR 5 HE2 TYR 5 20.065 -11.477 -8.607 29 HH TYR 5 HH TYR 5 20.557 -13.103 -11.775 30 H THR 6 H THR 6 23.966 -9.852 -9.141 31 HA THR 6 HA THR 6 24.421 -7.130 -8.204 32 HB THR 6 HB THR 6 22.760 -6.563 -10.023 33 HG1 THR 6 HG1 THR 6 21.719 -8.584 -10.182 34 HG21 THR 6 HG21 THR 6 24.343 -7.012 -11.835 35 HG22 THR 6 HG22 THR 6 25.192 -8.215 -10.842 36 HG23 THR 6 HG23 THR 6 25.199 -6.504 -10.370 37 H GLY 7 H GLY 7 23.092 -5.727 -7.191 38 HA2 GLY 7 HA2 GLY 7 20.607 -6.736 -5.877 39 HA3 GLY 7 HA3 GLY 7 21.517 -5.291 -5.457 40 H ALA 8 H ALA 8 19.243 -4.491 -5.438 41 HA ALA 8 HA ALA 8 17.568 -3.201 -6.205 42 HB1 ALA 8 HB1 ALA 8 18.263 -1.344 -7.613 43 HB2 ALA 8 HB2 ALA 8 19.580 -1.777 -6.514 44 HB3 ALA 8 HB3 ALA 8 19.653 -2.267 -8.217 45 H GLY 9 H GLY 9 17.127 -2.217 -8.960 46 HA2 GLY 9 HA2 GLY 9 16.306 -2.976 -11.049 47 HA3 GLY 9 HA3 GLY 9 16.189 -4.625 -10.434 48 H GLU 10 H GLU 10 14.081 -4.722 -11.317 49 HA GLU 10 HA GLU 10 11.952 -2.984 -10.297 50 HB2 GLU 10 HB2 GLU 10 11.934 -5.284 -12.270 51 HB3 GLU 10 HB3 GLU 10 10.504 -4.327 -11.829 52 HG2 GLU 10 HG2 GLU 10 11.609 -2.259 -12.639 53 HG3 GLU 10 HG3 GLU 10 13.036 -3.196 -13.106 54 HA PRO 11 HA PRO 11 10.664 -5.760 -7.039 55 HB2 PRO 11 HB2 PRO 11 7.869 -4.873 -7.726 56 HB3 PRO 11 HB3 PRO 11 8.661 -4.970 -6.121 57 HG2 PRO 11 HG2 PRO 11 8.411 -2.582 -7.354 58 HG3 PRO 11 HG3 PRO 11 9.985 -3.013 -6.609 59 HD2 PRO 11 HD2 PRO 11 9.156 -3.270 -9.530 60 HD3 PRO 11 HD3 PRO 11 10.617 -2.515 -8.837 61 H SER 12 H SER 12 9.824 -7.775 -6.654 62 HA SER 12 HA SER 12 8.608 -9.336 -8.899 63 HB2 SER 12 HB2 SER 12 10.600 -10.340 -7.996 64 HB3 SER 12 HB3 SER 12 9.972 -10.231 -6.340 65 HG SER 12 HG SER 12 9.713 -12.320 -7.435 66 H GLN 13 H GLN 13 6.565 -10.108 -8.761 67 HA GLN 13 HA GLN 13 4.697 -9.140 -6.848 68 HB2 GLN 13 HB2 GLN 13 3.115 -10.657 -7.823 69 HB3 GLN 13 HB3 GLN 13 4.043 -9.840 -9.077 70 HG2 GLN 13 HG2 GLN 13 5.445 -11.901 -9.347 71 HG3 GLN 13 HG3 GLN 13 4.482 -12.700 -8.099 72 HE21 GLN 13 HE21 GLN 13 2.107 -13.023 -8.564 73 HE22 GLN 13 HE22 GLN 13 1.616 -13.168 -10.248 74 H ALA 14 H ALA 14 6.831 -11.939 -6.672 75 HA ALA 14 HA ALA 14 5.371 -13.226 -4.492 76 HB1 ALA 14 HB1 ALA 14 8.180 -13.663 -5.591 77 HB2 ALA 14 HB2 ALA 14 7.325 -14.721 -4.451 78 HB3 ALA 14 HB3 ALA 14 6.697 -14.511 -6.096 79 H ASP 15 H ASP 15 8.050 -10.934 -4.726 80 HA ASP 15 HA ASP 15 8.673 -10.926 -1.868 81 HB2 ASP 15 HB2 ASP 15 10.361 -10.441 -3.616 82 HB3 ASP 15 HB3 ASP 15 9.455 -9.006 -4.089 83 H LEU 16 H LEU 16 6.752 -9.019 -4.064 84 HA LEU 16 HA LEU 16 5.876 -7.023 -2.177 85 HB2 LEU 16 HB2 LEU 16 4.661 -8.087 -4.760 86 HB3 LEU 16 HB3 LEU 16 3.970 -6.750 -3.848 87 HG LEU 16 HG LEU 16 6.827 -6.645 -4.884 88 HD11 LEU 16 HD11 LEU 16 5.865 -5.262 -6.732 89 HD12 LEU 16 HD12 LEU 16 4.252 -5.733 -6.215 90 HD13 LEU 16 HD13 LEU 16 5.379 -6.955 -6.820 91 HD21 LEU 16 HD21 LEU 16 4.842 -4.511 -4.054 92 HD22 LEU 16 HD22 LEU 16 6.476 -4.216 -4.687 93 HD23 LEU 16 HD23 LEU 16 6.272 -5.010 -3.123 94 H ASP 17 H ASP 17 4.278 -10.078 -3.270 95 HA ASP 17 HA ASP 17 1.984 -9.897 -1.685 96 HB2 ASP 17 HB2 ASP 17 2.440 -11.565 -3.494 97 HB3 ASP 17 HB3 ASP 17 3.566 -12.399 -2.421 98 H ALA 18 H ALA 18 5.167 -11.136 -0.717 99 HA ALA 18 HA ALA 18 4.407 -12.095 1.883 100 HB1 ALA 18 HB1 ALA 18 6.453 -12.793 0.704 101 HB2 ALA 18 HB2 ALA 18 7.094 -11.139 0.801 102 HB3 ALA 18 HB3 ALA 18 6.843 -12.089 2.283 103 H LEU 19 H LEU 19 5.774 -8.963 0.811 104 HA LEU 19 HA LEU 19 5.844 -7.766 3.439 105 HB2 LEU 19 HB2 LEU 19 7.383 -7.238 1.643 106 HB3 LEU 19 HB3 LEU 19 6.100 -6.672 0.608 107 HG LEU 19 HG LEU 19 6.359 -5.284 3.266 108 HD11 LEU 19 HD11 LEU 19 8.718 -5.534 2.633 109 HD12 LEU 19 HD12 LEU 19 8.199 -3.852 2.466 110 HD13 LEU 19 HD13 LEU 19 8.372 -4.873 1.023 111 HD21 LEU 19 HD21 LEU 19 6.007 -4.327 0.381 112 HD22 LEU 19 HD22 LEU 19 5.960 -3.296 1.819 113 HD23 LEU 19 HD23 LEU 19 4.703 -4.524 1.573 114 H LEU 20 H LEU 20 3.449 -7.750 0.829 115 HA LEU 20 HA LEU 20 1.649 -5.818 1.993 116 HB2 LEU 20 HB2 LEU 20 1.368 -7.985 -0.063 117 HB3 LEU 20 HB3 LEU 20 0.040 -6.895 0.315 118 HG LEU 20 HG LEU 20 2.760 -5.848 -0.629 119 HD11 LEU 20 HD11 LEU 20 1.781 -7.328 -2.364 120 HD12 LEU 20 HD12 LEU 20 1.768 -5.628 -2.861 121 HD13 LEU 20 HD13 LEU 20 0.264 -6.395 -2.289 122 HD21 LEU 20 HD21 LEU 20 -0.008 -4.585 -0.661 123 HD22 LEU 20 HD22 LEU 20 1.507 -3.844 -1.205 124 HD23 LEU 20 HD23 LEU 20 1.275 -4.208 0.514 125 H SER 21 H SER 21 1.796 -9.438 2.205 126 HA SER 21 HA SER 21 -0.510 -9.646 3.963 127 HB2 SER 21 HB2 SER 21 1.903 -11.442 3.511 128 HB3 SER 21 HB3 SER 21 0.638 -11.807 4.699 129 HG SER 21 HG SER 21 0.115 -12.776 2.763 130 H ALA 22 H ALA 22 2.959 -9.019 4.615 131 HA ALA 22 HA ALA 22 2.703 -9.115 7.466 132 HB1 ALA 22 HB1 ALA 22 4.917 -8.080 7.447 133 HB2 ALA 22 HB2 ALA 22 4.820 -9.386 6.250 134 HB3 ALA 22 HB3 ALA 22 4.748 -7.689 5.721 135 H VAL 23 H VAL 23 2.347 -6.325 5.180 136 HA VAL 23 HA VAL 23 2.097 -4.467 7.421 137 HB VAL 23 HB VAL 23 2.999 -3.872 5.178 138 HG11 VAL 23 HG11 VAL 23 0.102 -3.692 4.333 139 HG12 VAL 23 HG12 VAL 23 1.575 -3.364 3.368 140 HG13 VAL 23 HG13 VAL 23 1.221 -5.003 3.910 141 HG21 VAL 23 HG21 VAL 23 0.720 -2.076 6.109 142 HG22 VAL 23 HG22 VAL 23 2.364 -2.109 6.796 143 HG23 VAL 23 HG23 VAL 23 2.123 -1.609 5.124 144 H ARG 24 H ARG 24 -0.294 -6.275 5.536 145 HA ARG 24 HA ARG 24 -2.591 -4.815 6.469 146 HB2 ARG 24 HB2 ARG 24 -2.057 -7.254 4.888 147 HB3 ARG 24 HB3 ARG 24 -3.477 -7.432 5.885 148 HG2 ARG 24 HG2 ARG 24 -3.042 -5.012 4.096 149 HG3 ARG 24 HG3 ARG 24 -3.866 -6.492 3.563 150 HD2 ARG 24 HD2 ARG 24 -5.522 -6.243 5.371 151 HD3 ARG 24 HD3 ARG 24 -4.732 -4.745 5.906 152 HE ARG 24 HE ARG 24 -5.265 -4.200 3.273 153 HH11 ARG 24 HH11 ARG 24 -7.369 -5.284 5.869 154 HH12 ARG 24 HH12 ARG 24 -8.754 -4.484 5.185 155 HH21 ARG 24 HH21 ARG 24 -7.001 -3.184 2.517 156 HH22 ARG 24 HH22 ARG 24 -8.573 -3.373 3.290 157 H ASP 25 H ASP 25 -0.837 -7.458 7.969 158 HA ASP 25 HA ASP 25 -2.743 -7.446 10.262 159 HB2 ASP 25 HB2 ASP 25 -2.003 -9.616 9.197 160 HB3 ASP 25 HB3 ASP 25 -0.377 -9.286 9.784 161 H ASN 26 H ASN 26 -0.499 -5.442 9.395 162 HA ASN 26 HA ASN 26 1.055 -4.135 10.180 163 HB2 ASN 26 HB2 ASN 26 -0.971 -3.339 11.347 164 HB3 ASN 26 HB3 ASN 26 -0.479 -4.242 12.772 165 HD21 ASN 26 HD21 ASN 26 1.831 -2.383 10.660 166 HD22 ASN 26 HD22 ASN 26 2.147 -1.199 11.894 167 H ARG 27 H ARG 27 1.905 -6.752 10.165 168 HA ARG 27 HA ARG 27 4.009 -6.888 12.253 169 HB2 ARG 27 HB2 ARG 27 3.853 -8.433 9.640 170 HB3 ARG 27 HB3 ARG 27 4.835 -8.809 11.057 171 HG2 ARG 27 HG2 ARG 27 1.809 -9.001 10.807 172 HG3 ARG 27 HG3 ARG 27 2.947 -10.344 10.870 173 HD2 ARG 27 HD2 ARG 27 3.508 -9.872 13.178 174 HD3 ARG 27 HD3 ARG 27 2.590 -8.348 13.159 175 HE ARG 27 HE ARG 27 0.695 -10.226 12.447 176 HH11 ARG 27 HH11 ARG 27 2.692 -9.896 15.326 177 HH12 ARG 27 HH12 ARG 27 1.442 -10.571 16.340 178 HH21 ARG 27 HH21 ARG 27 -0.746 -11.000 13.686 179 HH22 ARG 27 HH22 ARG 27 -0.499 -11.239 15.418 180 H LEU 28 H LEU 28 3.445 -5.591 9.051 181 HA LEU 28 HA LEU 28 5.997 -4.065 9.243 182 HB2 LEU 28 HB2 LEU 28 5.141 -5.712 7.156 183 HB3 LEU 28 HB3 LEU 28 4.515 -4.165 6.661 184 HG LEU 28 HG LEU 28 6.643 -4.737 5.623 185 HD11 LEU 28 HD11 LEU 28 6.032 -2.368 6.091 186 HD12 LEU 28 HD12 LEU 28 7.773 -2.677 5.899 187 HD13 LEU 28 HD13 LEU 28 7.095 -2.457 7.528 188 HD21 LEU 28 HD21 LEU 28 8.749 -4.775 6.816 189 HD22 LEU 28 HD22 LEU 28 7.667 -5.982 7.577 190 HD23 LEU 28 HD23 LEU 28 7.971 -4.401 8.354 191 H SER 29 H SER 29 5.728 -1.779 8.438 192 HA SER 29 HA SER 29 3.020 -0.630 8.962 193 HB2 SER 29 HB2 SER 29 5.700 0.485 9.853 194 HB3 SER 29 HB3 SER 29 4.154 1.343 9.928 195 HG SER 29 HG SER 29 4.874 -1.047 11.294 196 H ILE 30 H ILE 30 2.614 1.435 7.896 197 HA ILE 30 HA ILE 30 2.936 1.272 5.099 198 HB ILE 30 HB ILE 30 2.405 3.718 6.842 199 HG12 ILE 30 HG12 ILE 30 0.771 1.964 7.343 200 HG13 ILE 30 HG13 ILE 30 0.044 3.351 6.557 201 HG21 ILE 30 HG21 ILE 30 2.941 4.492 4.641 202 HG22 ILE 30 HG22 ILE 30 1.893 3.289 3.869 203 HG23 ILE 30 HG23 ILE 30 1.183 4.600 4.832 204 HD11 ILE 30 HD11 ILE 30 0.681 0.705 5.182 205 HD12 ILE 30 HD12 ILE 30 -0.916 1.288 5.704 206 HD13 ILE 30 HD13 ILE 30 -0.065 2.132 4.418 207 H GLU 31 H GLU 31 4.793 3.369 7.378 208 HA GLU 31 HA GLU 31 6.405 4.457 5.217 209 HB2 GLU 31 HB2 GLU 31 6.752 4.589 8.242 210 HB3 GLU 31 HB3 GLU 31 7.738 5.480 7.075 211 HG2 GLU 31 HG2 GLU 31 5.671 6.578 6.193 212 HG3 GLU 31 HG3 GLU 31 4.714 5.756 7.421 213 H GLN 32 H GLN 32 6.789 1.641 7.344 214 HA GLN 32 HA GLN 32 9.621 1.245 6.766 215 HB2 GLN 32 HB2 GLN 32 7.410 -0.401 8.037 216 HB3 GLN 32 HB3 GLN 32 9.059 -1.011 7.828 217 HG2 GLN 32 HG2 GLN 32 8.290 1.464 9.445 218 HG3 GLN 32 HG3 GLN 32 8.564 -0.137 10.106 219 HE21 GLN 32 HE21 GLN 32 10.795 -1.125 9.744 220 HE22 GLN 32 HE22 GLN 32 12.157 -0.013 9.642 221 H ALA 33 H ALA 33 6.497 0.186 5.402 222 HA ALA 33 HA ALA 33 7.585 -1.721 3.558 223 HB1 ALA 33 HB1 ALA 33 5.001 -0.130 3.713 224 HB2 ALA 33 HB2 ALA 33 5.335 -1.244 2.381 225 HB3 ALA 33 HB3 ALA 33 5.264 -1.859 4.047 226 H VAL 34 H VAL 34 7.087 1.818 3.309 227 HA VAL 34 HA VAL 34 7.719 1.965 0.483 228 HB VAL 34 HB VAL 34 7.597 4.074 2.673 229 HG11 VAL 34 HG11 VAL 34 7.943 4.420 -0.330 230 HG12 VAL 34 HG12 VAL 34 7.492 5.725 0.788 231 HG13 VAL 34 HG13 VAL 34 9.071 4.953 0.935 232 HG21 VAL 34 HG21 VAL 34 5.472 4.669 1.652 233 HG22 VAL 34 HG22 VAL 34 5.704 3.453 0.366 234 HG23 VAL 34 HG23 VAL 34 5.432 2.952 2.031 235 H THR 35 H THR 35 9.667 2.305 3.497 236 HA THR 35 HA THR 35 11.978 3.122 2.019 237 HB THR 35 HB THR 35 11.513 3.554 4.486 238 HG1 THR 35 HG1 THR 35 13.365 4.243 3.536 239 HG21 THR 35 HG21 THR 35 13.066 0.954 4.847 240 HG22 THR 35 HG22 THR 35 11.358 1.188 5.261 241 HG23 THR 35 HG23 THR 35 12.598 2.126 6.102 242 H LEU 36 H LEU 36 10.767 -0.067 2.825 243 HA LEU 36 HA LEU 36 13.181 -1.459 1.872 244 HB2 LEU 36 HB2 LEU 36 10.394 -2.458 2.582 245 HB3 LEU 36 HB3 LEU 36 11.769 -3.480 2.170 246 HG LEU 36 HG LEU 36 11.565 -1.659 4.606 247 HD11 LEU 36 HD11 LEU 36 11.509 -3.753 5.862 248 HD12 LEU 36 HD12 LEU 36 11.604 -4.695 4.360 249 HD13 LEU 36 HD13 LEU 36 10.177 -3.689 4.698 250 HD21 LEU 36 HD21 LEU 36 13.670 -2.758 5.347 251 HD22 LEU 36 HD22 LEU 36 13.882 -1.712 3.948 252 HD23 LEU 36 HD23 LEU 36 13.835 -3.484 3.725 253 H LEU 37 H LEU 37 10.024 -0.532 0.523 254 HA LEU 37 HA LEU 37 10.260 -1.953 -1.958 255 HB2 LEU 37 HB2 LEU 37 8.187 -1.323 -0.926 256 HB3 LEU 37 HB3 LEU 37 8.586 0.389 -1.025 257 HG LEU 37 HG LEU 37 6.863 -0.519 -2.572 258 HD11 LEU 37 HD11 LEU 37 7.361 0.958 -4.357 259 HD12 LEU 37 HD12 LEU 37 9.096 0.863 -4.067 260 HD13 LEU 37 HD13 LEU 37 8.048 1.675 -2.883 261 HD21 LEU 37 HD21 LEU 37 7.940 -2.573 -3.350 262 HD22 LEU 37 HD22 LEU 37 9.208 -1.612 -4.155 263 HD23 LEU 37 HD23 LEU 37 7.528 -1.492 -4.699 264 H THR 38 H THR 38 11.142 1.313 -0.945 265 HA THR 38 HA THR 38 12.230 3.047 -1.806 266 HB THR 38 HB THR 38 13.408 1.214 -3.902 267 HG1 THR 38 HG1 THR 38 13.898 0.645 -1.741 268 HG21 THR 38 HG21 THR 38 15.207 2.912 -3.998 269 HG22 THR 38 HG22 THR 38 14.256 3.973 -2.933 270 HG23 THR 38 HG23 THR 38 13.663 3.560 -4.558 271 HA PRO 39 HA PRO 39 8.663 3.730 -4.407 272 HB2 PRO 39 HB2 PRO 39 8.487 6.490 -4.290 273 HB3 PRO 39 HB3 PRO 39 7.944 5.364 -3.007 274 HG2 PRO 39 HG2 PRO 39 10.592 6.834 -3.187 275 HG3 PRO 39 HG3 PRO 39 9.493 6.687 -1.778 276 HD2 PRO 39 HD2 PRO 39 11.663 5.105 -2.056 277 HD3 PRO 39 HD3 PRO 39 10.129 4.438 -1.418 278 H ARG 40 H ARG 40 8.199 4.131 -6.482 279 HA ARG 40 HA ARG 40 10.358 5.134 -8.303 280 HB2 ARG 40 HB2 ARG 40 8.431 2.793 -8.617 281 HB3 ARG 40 HB3 ARG 40 9.415 3.441 -9.934 282 HG2 ARG 40 HG2 ARG 40 11.482 2.849 -8.800 283 HG3 ARG 40 HG3 ARG 40 10.603 2.394 -7.339 284 HD2 ARG 40 HD2 ARG 40 9.445 0.571 -8.629 285 HD3 ARG 40 HD3 ARG 40 10.409 1.020 -10.045 286 HE ARG 40 HE ARG 40 12.205 -0.143 -9.175 287 HH11 ARG 40 HH11 ARG 40 10.111 0.515 -6.455 288 HH12 ARG 40 HH12 ARG 40 11.069 -0.431 -5.370 289 HH21 ARG 40 HH21 ARG 40 13.255 -1.540 -7.784 290 HH22 ARG 40 HH22 ARG 40 12.729 -1.634 -6.120 291 H ARG 41 H ARG 41 9.755 6.186 -10.167 292 HA ARG 41 HA ARG 41 7.427 7.947 -9.965 293 HB2 ARG 41 HB2 ARG 41 9.763 7.722 -11.835 294 HB3 ARG 41 HB3 ARG 41 8.316 8.623 -12.318 295 HG2 ARG 41 HG2 ARG 41 8.416 9.919 -10.181 296 HG3 ARG 41 HG3 ARG 41 9.960 9.136 -9.788 297 HD2 ARG 41 HD2 ARG 41 11.055 10.137 -11.616 298 HD3 ARG 41 HD3 ARG 41 9.533 10.502 -12.442 299 HE ARG 41 HE ARG 41 10.771 12.049 -10.241 300 HH11 ARG 41 HH11 ARG 41 7.955 11.765 -12.381 301 HH12 ARG 41 HH12 ARG 41 7.252 13.222 -11.692 302 HH21 ARG 41 HH21 ARG 41 9.778 13.960 -9.572 303 HH22 ARG 41 HH22 ARG 41 8.227 14.392 -10.270 304 H GLY 42 H GLY 42 5.550 7.951 -10.988 305 HA2 GLY 42 HA2 GLY 42 4.680 5.734 -12.702 306 HA3 GLY 42 HA3 GLY 42 3.734 7.135 -12.193 307 H GLY 43 H GLY 43 6.181 8.821 -13.250 308 HA2 GLY 43 HA2 GLY 43 6.405 8.478 -16.073 309 HA3 GLY 43 HA3 GLY 43 5.125 9.652 -15.723 310 H GLY 44 H GLY 44 7.156 10.497 -17.172 311 HA2 GLY 44 HA2 GLY 44 9.419 11.604 -15.764 312 HA3 GLY 44 HA3 GLY 44 8.960 11.888 -17.438 313 H SER 45 H SER 45 6.377 12.708 -15.393 314 HA SER 45 HA SER 45 7.218 15.493 -14.858 315 HB2 SER 45 HB2 SER 45 6.240 15.413 -17.187 316 HB3 SER 45 HB3 SER 45 4.703 14.902 -16.466 317 HG SER 45 HG SER 45 4.861 17.195 -16.798 318 H GLY 46 H GLY 46 5.733 16.643 -13.471 319 HA2 GLY 46 HA2 GLY 46 4.404 16.870 -11.594 320 HA3 GLY 46 HA3 GLY 46 3.535 15.424 -12.091 321 H GLY 47 H GLY 47 3.400 15.169 -9.733 322 HA2 GLY 47 HA2 GLY 47 4.967 13.055 -8.726 323 HA3 GLY 47 HA3 GLY 47 5.629 14.536 -8.038 324 H GLY 48 H GLY 48 4.745 12.881 -6.228 325 HA2 GLY 48 HA2 GLY 48 3.552 12.939 -4.267 326 HA3 GLY 48 HA3 GLY 48 2.746 14.396 -4.836 327 H SER 49 H SER 49 2.213 11.859 -7.044 328 HA SER 49 HA SER 49 -0.294 10.897 -5.712 329 HB2 SER 49 HB2 SER 49 -0.057 11.795 -8.607 330 HB3 SER 49 HB3 SER 49 -1.483 11.080 -7.843 331 HG SER 49 HG SER 49 -0.255 13.592 -7.231 332 H MET 50 H MET 50 -0.753 8.795 -5.998 333 HA MET 50 HA MET 50 -0.259 6.617 -6.156 334 HB2 MET 50 HB2 MET 50 0.398 7.281 -9.047 335 HB3 MET 50 HB3 MET 50 0.226 5.649 -8.392 336 HG2 MET 50 HG2 MET 50 -1.821 6.035 -9.335 337 HG3 MET 50 HG3 MET 50 -2.092 6.275 -7.613 338 HE1 MET 50 HE1 MET 50 -4.147 7.029 -9.888 339 HE2 MET 50 HE2 MET 50 -4.439 7.278 -8.149 340 HE3 MET 50 HE3 MET 50 -4.731 8.605 -9.292 341 H ASP 51 H ASP 51 1.643 8.094 -4.943 342 HA ASP 51 HA ASP 51 4.287 6.886 -5.461 343 HB2 ASP 51 HB2 ASP 51 3.976 9.160 -4.475 344 HB3 ASP 51 HB3 ASP 51 3.168 8.427 -3.093 345 H ALA 52 H ALA 52 5.263 5.383 -3.856 346 HA ALA 52 HA ALA 52 3.653 3.153 -3.211 347 HB1 ALA 52 HB1 ALA 52 6.100 3.066 -3.489 348 HB2 ALA 52 HB2 ALA 52 6.302 3.988 -1.980 349 HB3 ALA 52 HB3 ALA 52 5.600 2.364 -1.939 350 H LYS 53 H LYS 53 4.373 6.048 -1.235 351 HA LYS 53 HA LYS 53 3.259 5.114 1.242 352 HB2 LYS 53 HB2 LYS 53 4.614 7.143 1.093 353 HB3 LYS 53 HB3 LYS 53 3.475 7.902 -0.012 354 HG2 LYS 53 HG2 LYS 53 3.308 8.827 2.257 355 HG3 LYS 53 HG3 LYS 53 1.787 8.098 1.724 356 HD2 LYS 53 HD2 LYS 53 2.310 6.063 3.076 357 HD3 LYS 53 HD3 LYS 53 3.844 6.791 3.558 358 HE2 LYS 53 HE2 LYS 53 2.269 7.011 5.350 359 HE3 LYS 53 HE3 LYS 53 2.605 8.621 4.692 360 HZ1 LYS 53 HZ1 LYS 53 0.220 8.229 5.087 361 HZ2 LYS 53 HZ2 LYS 53 0.189 6.981 4.030 362 HZ3 LYS 53 HZ3 LYS 53 0.490 8.500 3.501 363 H GLU 54 H GLU 54 1.652 6.849 -1.456 364 HA GLU 54 HA GLU 54 -0.968 6.786 -0.234 365 HB2 GLU 54 HB2 GLU 54 -0.357 8.383 -1.997 366 HB3 GLU 54 HB3 GLU 54 -0.171 7.059 -3.159 367 HG2 GLU 54 HG2 GLU 54 -2.545 6.493 -2.967 368 HG3 GLU 54 HG3 GLU 54 -2.760 7.681 -1.675 369 H ILE 55 H ILE 55 0.694 4.620 -2.518 370 HA ILE 55 HA ILE 55 -1.481 2.867 -3.032 371 HB ILE 55 HB ILE 55 1.521 2.470 -3.139 372 HG12 ILE 55 HG12 ILE 55 -0.430 2.730 -5.469 373 HG13 ILE 55 HG13 ILE 55 0.245 4.155 -4.711 374 HG21 ILE 55 HG21 ILE 55 -0.733 0.620 -3.983 375 HG22 ILE 55 HG22 ILE 55 0.876 0.505 -4.684 376 HG23 ILE 55 HG23 ILE 55 0.659 0.252 -2.940 377 HD11 ILE 55 HD11 ILE 55 1.939 1.963 -5.968 378 HD12 ILE 55 HD12 ILE 55 1.553 3.538 -6.680 379 HD13 ILE 55 HD13 ILE 55 2.531 3.450 -5.210 380 H LEU 56 H LEU 56 1.135 2.540 -0.534 381 HA LEU 56 HA LEU 56 -0.052 0.211 0.674 382 HB2 LEU 56 HB2 LEU 56 2.019 2.259 1.497 383 HB3 LEU 56 HB3 LEU 56 1.285 1.284 2.754 384 HG LEU 56 HG LEU 56 3.271 0.248 2.272 385 HD11 LEU 56 HD11 LEU 56 1.306 -1.459 0.719 386 HD12 LEU 56 HD12 LEU 56 1.261 -1.254 2.487 387 HD13 LEU 56 HD13 LEU 56 2.681 -1.978 1.703 388 HD21 LEU 56 HD21 LEU 56 3.850 1.173 0.152 389 HD22 LEU 56 HD22 LEU 56 2.545 0.274 -0.664 390 HD23 LEU 56 HD23 LEU 56 3.945 -0.588 0.050 391 H THR 57 H THR 57 -0.514 3.695 1.353 392 HA THR 57 HA THR 57 -2.116 3.347 3.680 393 HB THR 57 HB THR 57 -2.267 5.597 1.645 394 HG1 THR 57 HG1 THR 57 -0.225 5.401 2.450 395 HG21 THR 57 HG21 THR 57 -3.014 6.949 3.586 396 HG22 THR 57 HG22 THR 57 -3.077 5.476 4.586 397 HG23 THR 57 HG23 THR 57 -4.176 5.675 3.196 398 H ARG 58 H ARG 58 -3.130 3.619 0.235 399 HA ARG 58 HA ARG 58 -5.953 3.189 0.793 400 HB2 ARG 58 HB2 ARG 58 -4.353 2.883 -1.781 401 HB3 ARG 58 HB3 ARG 58 -6.110 2.784 -1.653 402 HG2 ARG 58 HG2 ARG 58 -6.257 5.092 -0.859 403 HG3 ARG 58 HG3 ARG 58 -4.500 5.271 -0.959 404 HD2 ARG 58 HD2 ARG 58 -4.576 4.761 -3.380 405 HD3 ARG 58 HD3 ARG 58 -6.330 4.595 -3.311 406 HE ARG 58 HE ARG 58 -4.748 7.078 -3.308 407 HH11 ARG 58 HH11 ARG 58 -7.978 5.857 -2.632 408 HH12 ARG 58 HH12 ARG 58 -8.685 7.439 -2.824 409 HH21 ARG 58 HH21 ARG 58 -5.633 8.936 -3.530 410 HH22 ARG 58 HH22 ARG 58 -7.367 9.200 -3.322 411 H PHE 59 H PHE 59 -3.304 0.899 -0.091 412 HA PHE 59 HA PHE 59 -4.949 -1.415 -0.327 413 HB2 PHE 59 HB2 PHE 59 -2.692 -1.415 -1.136 414 HB3 PHE 59 HB3 PHE 59 -2.055 -0.971 0.438 415 HD1 PHE 59 HD1 PHE 59 -4.032 -3.712 -1.214 416 HD2 PHE 59 HD2 PHE 59 -1.234 -2.625 1.872 417 HE1 PHE 59 HE1 PHE 59 -3.839 -6.097 -0.548 418 HE2 PHE 59 HE2 PHE 59 -1.020 -5.005 2.514 419 HZ PHE 59 HZ PHE 59 -2.333 -6.747 1.324 420 H LYS 60 H LYS 60 -3.314 -0.050 2.572 421 HA LYS 60 HA LYS 60 -4.326 -2.146 4.268 422 HB2 LYS 60 HB2 LYS 60 -2.233 -0.776 4.670 423 HB3 LYS 60 HB3 LYS 60 -3.277 0.561 5.169 424 HG2 LYS 60 HG2 LYS 60 -4.253 -0.936 6.942 425 HG3 LYS 60 HG3 LYS 60 -3.150 -2.225 6.431 426 HD2 LYS 60 HD2 LYS 60 -1.203 -0.806 7.020 427 HD3 LYS 60 HD3 LYS 60 -2.312 0.511 7.482 428 HE2 LYS 60 HE2 LYS 60 -3.362 -1.061 9.154 429 HE3 LYS 60 HE3 LYS 60 -2.104 -2.243 8.777 430 HZ1 LYS 60 HZ1 LYS 60 -0.453 -0.621 9.523 431 HZ2 LYS 60 HZ2 LYS 60 -1.539 -0.856 10.725 432 HZ3 LYS 60 HZ3 LYS 60 -1.606 0.506 9.828 433 H ASP 61 H ASP 61 -5.550 1.084 3.491 434 HA ASP 61 HA ASP 61 -7.740 1.053 5.382 435 HB2 ASP 61 HB2 ASP 61 -6.715 3.096 4.433 436 HB3 ASP 61 HB3 ASP 61 -7.309 2.657 2.832 437 H GLY 62 H GLY 62 -7.374 -0.380 2.209 438 HA2 GLY 62 HA2 GLY 62 -8.843 -1.970 1.238 439 HA3 GLY 62 HA3 GLY 62 -10.181 -1.392 2.242 440 H GLY 63 H GLY 63 -8.442 1.162 0.779 441 HA2 GLY 63 HA2 GLY 63 -10.487 1.754 -1.258 442 HA3 GLY 63 HA3 GLY 63 -9.044 2.700 -0.869 443 H LEU 64 H LEU 64 -7.667 -0.197 -1.139 444 HA LEU 64 HA LEU 64 -7.557 -0.400 -4.102 445 HB2 LEU 64 HB2 LEU 64 -5.734 1.114 -3.022 446 HB3 LEU 64 HB3 LEU 64 -5.101 -0.370 -2.323 447 HG LEU 64 HG LEU 64 -4.859 -1.249 -4.718 448 HD11 LEU 64 HD11 LEU 64 -5.392 1.692 -5.307 449 HD12 LEU 64 HD12 LEU 64 -6.403 0.334 -5.841 450 HD13 LEU 64 HD13 LEU 64 -4.761 0.511 -6.479 451 HD21 LEU 64 HD21 LEU 64 -2.829 0.059 -5.134 452 HD22 LEU 64 HD22 LEU 64 -2.966 -0.342 -3.410 453 HD23 LEU 64 HD23 LEU 64 -3.360 1.295 -3.969 454 H ASP 65 H ASP 65 -7.280 -2.457 -4.875 455 HA ASP 65 HA ASP 65 -7.372 -4.725 -2.989 456 HB2 ASP 65 HB2 ASP 65 -7.359 -4.779 -6.022 457 HB3 ASP 65 HB3 ASP 65 -7.800 -6.095 -4.941 458 H ARG 66 H ARG 66 -5.926 -6.575 -3.173 459 HA ARG 66 HA ARG 66 -3.170 -5.881 -3.034 460 HB2 ARG 66 HB2 ARG 66 -4.278 -7.862 -1.955 461 HB3 ARG 66 HB3 ARG 66 -4.384 -8.646 -3.537 462 HG2 ARG 66 HG2 ARG 66 -1.909 -8.582 -3.744 463 HG3 ARG 66 HG3 ARG 66 -1.773 -7.749 -2.202 464 HD2 ARG 66 HD2 ARG 66 -3.036 -10.508 -2.530 465 HD3 ARG 66 HD3 ARG 66 -1.317 -10.245 -2.253 466 HE ARG 66 HE ARG 66 -3.401 -9.244 -0.331 467 HH11 ARG 66 HH11 ARG 66 -0.483 -11.203 -0.785 468 HH12 ARG 66 HH12 ARG 66 -0.194 -11.218 0.945 469 HH21 ARG 66 HH21 ARG 66 -2.980 -9.582 1.867 470 HH22 ARG 66 HH22 ARG 66 -1.554 -10.512 2.292 471 H ALA 67 H ALA 67 -4.958 -7.269 -5.787 472 HA ALA 67 HA ALA 67 -2.716 -7.710 -7.494 473 HB1 ALA 67 HB1 ALA 67 -5.622 -7.075 -8.178 474 HB2 ALA 67 HB2 ALA 67 -4.422 -7.762 -9.284 475 HB3 ALA 67 HB3 ALA 67 -4.934 -8.688 -7.866 476 H ALA 68 H ALA 68 -4.758 -4.795 -7.037 477 HA ALA 68 HA ALA 68 -3.365 -3.207 -9.036 478 HB1 ALA 68 HB1 ALA 68 -4.678 -1.355 -8.072 479 HB2 ALA 68 HB2 ALA 68 -5.700 -2.760 -8.449 480 HB3 ALA 68 HB3 ALA 68 -5.230 -2.429 -6.765 481 H ALA 69 H ALA 69 -3.094 -3.559 -5.452 482 HA ALA 69 HA ALA 69 -1.108 -1.569 -5.039 483 HB1 ALA 69 HB1 ALA 69 -0.662 -2.754 -2.952 484 HB2 ALA 69 HB2 ALA 69 -2.414 -2.723 -3.241 485 HB3 ALA 69 HB3 ALA 69 -1.490 -4.204 -3.546 486 H GLN 70 H GLN 70 -0.645 -5.076 -5.781 487 HA GLN 70 HA GLN 70 2.205 -4.965 -5.892 488 HB2 GLN 70 HB2 GLN 70 0.221 -6.775 -7.331 489 HB3 GLN 70 HB3 GLN 70 1.980 -6.998 -7.374 490 HG2 GLN 70 HG2 GLN 70 2.078 -7.327 -4.982 491 HG3 GLN 70 HG3 GLN 70 0.367 -6.970 -4.801 492 HE21 GLN 70 HE21 GLN 70 0.824 -9.216 -3.655 493 HE22 GLN 70 HE22 GLN 70 0.483 -10.601 -4.668 494 H ALA 71 H ALA 71 -0.203 -4.516 -8.533 495 HA ALA 71 HA ALA 71 1.628 -4.183 -10.660 496 HB1 ALA 71 HB1 ALA 71 -1.136 -2.962 -10.209 497 HB2 ALA 71 HB2 ALA 71 -0.282 -3.045 -11.756 498 HB3 ALA 71 HB3 ALA 71 -0.787 -4.549 -10.948 499 H LEU 72 H LEU 72 0.088 -1.639 -8.638 500 HA LEU 72 HA LEU 72 1.409 0.543 -9.927 501 HB2 LEU 72 HB2 LEU 72 -0.228 0.162 -7.410 502 HB3 LEU 72 HB3 LEU 72 0.490 1.711 -7.784 503 HG LEU 72 HG LEU 72 -0.813 2.162 -9.594 504 HD11 LEU 72 HD11 LEU 72 -2.337 0.702 -10.769 505 HD12 LEU 72 HD12 LEU 72 -1.790 -0.698 -9.839 506 HD13 LEU 72 HD13 LEU 72 -0.675 0.128 -10.945 507 HD21 LEU 72 HD21 LEU 72 -3.133 1.780 -8.914 508 HD22 LEU 72 HD22 LEU 72 -2.131 2.130 -7.481 509 HD23 LEU 72 HD23 LEU 72 -2.631 0.454 -7.854 510 H LEU 73 H LEU 73 2.252 -1.294 -6.955 511 HA LEU 73 HA LEU 73 4.578 0.337 -6.339 512 HB2 LEU 73 HB2 LEU 73 3.859 -2.546 -5.667 513 HB3 LEU 73 HB3 LEU 73 5.313 -1.754 -5.094 514 HG LEU 73 HG LEU 73 2.472 -0.943 -4.408 515 HD11 LEU 73 HD11 LEU 73 3.066 -1.632 -2.152 516 HD12 LEU 73 HD12 LEU 73 4.695 -2.087 -2.694 517 HD13 LEU 73 HD13 LEU 73 3.252 -2.967 -3.275 518 HD21 LEU 73 HD21 LEU 73 3.533 0.647 -2.793 519 HD22 LEU 73 HD22 LEU 73 3.751 1.097 -4.472 520 HD23 LEU 73 HD23 LEU 73 5.093 0.343 -3.590 521 H ALA 74 H ALA 74 4.111 -2.485 -8.454 522 HA ALA 74 HA ALA 74 6.911 -2.606 -9.224 523 HB1 ALA 74 HB1 ALA 74 6.159 -4.349 -10.767 524 HB2 ALA 74 HB2 ALA 74 5.443 -4.597 -9.163 525 HB3 ALA 74 HB3 ALA 74 4.464 -3.907 -10.473 526 H GLY 75 H GLY 75 4.642 -0.284 -10.001 527 HA2 GLY 75 HA2 GLY 75 4.845 1.515 -11.398 528 HA3 GLY 75 HA3 GLY 75 6.314 0.821 -12.084 529 H ARG 76 H ARG 76 3.371 -1.081 -12.190 530 HA ARG 76 HA ARG 76 2.985 -0.538 -15.127 531 HB2 ARG 76 HB2 ARG 76 2.728 -3.126 -13.536 532 HB3 ARG 76 HB3 ARG 76 2.080 -2.904 -15.160 533 HG2 ARG 76 HG2 ARG 76 4.361 -2.321 -15.991 534 HG3 ARG 76 HG3 ARG 76 5.013 -2.733 -14.387 535 HD2 ARG 76 HD2 ARG 76 4.127 -5.026 -14.598 536 HD3 ARG 76 HD3 ARG 76 3.423 -4.634 -16.169 537 HE ARG 76 HE ARG 76 6.323 -4.880 -15.511 538 HH11 ARG 76 HH11 ARG 76 3.915 -4.592 -18.098 539 HH12 ARG 76 HH12 ARG 76 5.132 -4.877 -19.320 540 HH21 ARG 76 HH21 ARG 76 7.751 -5.219 -17.144 541 HH22 ARG 76 HH22 ARG 76 7.220 -5.219 -18.798 542 H THR 77 H THR 77 0.774 -1.103 -15.900 543 HA THR 77 HA THR 77 -1.299 0.245 -14.375 544 HB THR 77 HB THR 77 -2.797 -0.684 -16.230 545 HG1 THR 77 HG1 THR 77 -1.702 -1.493 -18.027 546 HG21 THR 77 HG21 THR 77 -0.350 0.929 -17.091 547 HG22 THR 77 HG22 THR 77 -1.804 1.590 -16.313 548 HG23 THR 77 HG23 THR 77 -1.923 0.862 -17.924 549 HA PRO 78 HA PRO 78 -2.823 -3.229 -12.077 550 HB2 PRO 78 HB2 PRO 78 -5.398 -2.522 -11.515 551 HB3 PRO 78 HB3 PRO 78 -3.986 -1.641 -10.853 552 HG2 PRO 78 HG2 PRO 78 -5.641 -0.937 -13.301 553 HG3 PRO 78 HG3 PRO 78 -5.170 0.132 -11.936 554 HD2 PRO 78 HD2 PRO 78 -3.777 0.099 -14.260 555 HD3 PRO 78 HD3 PRO 78 -2.959 0.302 -12.713 556 H ALA 79 H ALA 79 -4.631 -4.832 -11.965 557 HA ALA 79 HA ALA 79 -5.666 -6.634 -12.758 558 HB1 ALA 79 HB1 ALA 79 -7.314 -4.932 -13.526 559 HB2 ALA 79 HB2 ALA 79 -6.556 -4.977 -15.136 560 HB3 ALA 79 HB3 ALA 79 -7.337 -6.419 -14.472 561 H ALA 80 H ALA 80 -6.034 -8.014 -14.968 562 HA ALA 80 HA ALA 80 -3.493 -9.246 -15.255 563 HB1 ALA 80 HB1 ALA 80 -6.118 -9.735 -16.721 564 HB2 ALA 80 HB2 ALA 80 -4.740 -10.861 -16.648 565 HB3 ALA 80 HB3 ALA 80 -5.628 -10.463 -15.169 566 H ALA 81 H ALA 81 -2.390 -9.870 -17.158 567 HA ALA 81 HA ALA 81 -0.940 -9.261 -18.779 568 HB1 ALA 81 HB1 ALA 81 -1.971 -9.114 -20.991 569 HB2 ALA 81 HB2 ALA 81 -2.790 -10.334 -19.988 570 HB3 ALA 81 HB3 ALA 81 -3.547 -8.746 -20.260 571 HA PRO 82 HA PRO 82 -1.134 -4.620 -18.250 572 HB2 PRO 82 HB2 PRO 82 0.621 -4.151 -16.282 573 HB3 PRO 82 HB3 PRO 82 -0.976 -4.871 -15.941 574 HG2 PRO 82 HG2 PRO 82 1.649 -6.359 -16.329 575 HG3 PRO 82 HG3 PRO 82 0.515 -6.478 -14.943 576 HD2 PRO 82 HD2 PRO 82 0.410 -8.216 -17.060 577 HD3 PRO 82 HD3 PRO 82 -1.052 -7.671 -16.182 578 H ARG 83 H ARG 83 -0.240 -5.427 -20.460 579 HA ARG 83 HA ARG 83 2.415 -4.224 -20.944 580 HB2 ARG 83 HB2 ARG 83 3.268 -6.156 -22.153 581 HB3 ARG 83 HB3 ARG 83 2.905 -6.591 -20.494 582 HG2 ARG 83 HG2 ARG 83 0.784 -7.667 -21.237 583 HG3 ARG 83 HG3 ARG 83 1.144 -7.211 -22.909 584 HD2 ARG 83 HD2 ARG 83 1.778 -9.503 -22.653 585 HD3 ARG 83 HD3 ARG 83 3.252 -8.550 -22.802 586 HE ARG 83 HE ARG 83 3.819 -9.014 -20.562 587 HH11 ARG 83 HH11 ARG 83 0.655 -10.415 -21.196 588 HH12 ARG 83 HH12 ARG 83 0.700 -11.362 -19.734 589 HH21 ARG 83 HH21 ARG 83 3.777 -10.237 -18.718 590 HH22 ARG 83 HH22 ARG 83 2.402 -11.235 -18.362 591 HA PRO 84 HA PRO 84 0.644 -2.681 -24.698 592 HB2 PRO 84 HB2 PRO 84 3.080 -3.693 -26.158 593 HB3 PRO 84 HB3 PRO 84 2.308 -2.078 -26.221 594 HG2 PRO 84 HG2 PRO 84 4.545 -2.439 -24.741 595 HG3 PRO 84 HG3 PRO 84 3.169 -1.503 -24.058 596 HD2 PRO 84 HD2 PRO 84 3.880 -4.414 -23.598 597 HD3 PRO 84 HD3 PRO 84 3.467 -3.148 -22.403
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