NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
608489 | 2rvf | 11597 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY -6 H1 GLY -6 12.693 -8.900 -30.661 2 H2 GLY -6 H2 GLY -6 11.754 -8.879 -29.316 3 H3 GLY -6 H3 GLY -6 11.327 -9.847 -30.579 4 HA2 GLY -6 HA2 GLY -6 10.903 -7.869 -31.955 5 HA3 GLY -6 HA3 GLY -6 9.931 -7.887 -30.457 6 H SER -5 H SER -5 9.769 -5.800 -29.942 7 HA SER -5 HA SER -5 11.749 -3.812 -29.967 8 HB2 SER -5 HB2 SER -5 9.511 -4.279 -27.952 9 HB3 SER -5 HB3 SER -5 10.143 -2.705 -28.450 10 HG SER -5 HG SER -5 8.171 -3.166 -29.437 11 H SER -4 H SER -4 12.260 -2.667 -27.821 12 HA SER -4 HA SER -4 13.612 -3.623 -25.639 13 HB2 SER -4 HB2 SER -4 11.209 -2.067 -24.898 14 HB3 SER -4 HB3 SER -4 12.897 -1.639 -24.690 15 HG SER -4 HG SER -4 11.952 -0.220 -26.161 16 H GLY -3 H GLY -3 10.085 -4.034 -26.300 17 HA2 GLY -3 HA2 GLY -3 9.045 -6.092 -26.360 18 HA3 GLY -3 HA3 GLY -3 10.512 -6.769 -25.646 19 H SER -2 H SER -2 10.515 -5.353 -23.311 20 HA SER -2 HA SER -2 8.161 -6.273 -21.769 21 HB2 SER -2 HB2 SER -2 10.134 -6.501 -19.951 22 HB3 SER -2 HB3 SER -2 9.577 -7.793 -21.010 23 HG SER -2 HG SER -2 11.807 -6.143 -21.657 24 H SER -1 H SER -1 9.475 -3.556 -22.851 25 HA SER -1 HA SER -1 7.130 -2.776 -21.250 26 HB2 SER -1 HB2 SER -1 8.547 -1.252 -23.471 27 HB3 SER -1 HB3 SER -1 6.873 -0.911 -22.952 28 HG SER -1 HG SER -1 7.654 -0.382 -20.909 29 H GLY 0 H GLY 0 6.193 -4.759 -21.793 30 HA2 GLY 0 HA2 GLY 0 4.572 -3.954 -24.148 31 HA3 GLY 0 HA3 GLY 0 4.282 -5.441 -23.194 32 H MET 1 H MET 1 2.479 -4.935 -22.162 33 HA MET 1 HA MET 1 2.564 -4.078 -19.516 34 HB2 MET 1 HB2 MET 1 2.478 -6.616 -19.135 35 HB3 MET 1 HB3 MET 1 1.191 -5.892 -20.079 36 HG2 MET 1 HG2 MET 1 3.654 -7.096 -21.328 37 HG3 MET 1 HG3 MET 1 2.352 -8.120 -20.773 38 HE1 MET 1 HE1 MET 1 1.699 -9.332 -22.883 39 HE2 MET 1 HE2 MET 1 0.319 -8.691 -21.962 40 HE3 MET 1 HE3 MET 1 0.308 -8.628 -23.742 41 H ALA 2 H ALA 2 4.347 -3.293 -18.490 42 HA ALA 2 HA ALA 2 4.959 -5.985 -17.591 43 HB1 ALA 2 HB1 ALA 2 6.927 -4.823 -16.847 44 HB2 ALA 2 HB2 ALA 2 5.936 -3.429 -16.306 45 HB3 ALA 2 HB3 ALA 2 5.821 -5.000 -15.468 46 H GLU 3 H GLU 3 2.894 -6.367 -17.591 47 HA GLU 3 HA GLU 3 1.464 -7.152 -15.899 48 HB2 GLU 3 HB2 GLU 3 4.105 -7.620 -16.413 49 HB3 GLU 3 HB3 GLU 3 4.209 -7.280 -14.692 50 HG2 GLU 3 HG2 GLU 3 3.402 -9.363 -14.219 51 HG3 GLU 3 HG3 GLU 3 1.991 -9.165 -15.228 52 H ALA 4 H ALA 4 1.350 -4.342 -15.360 53 HA ALA 4 HA ALA 4 -0.466 -3.779 -14.033 54 HB1 ALA 4 HB1 ALA 4 -1.667 -4.756 -15.682 55 HB2 ALA 4 HB2 ALA 4 -0.362 -5.898 -15.987 56 HB3 ALA 4 HB3 ALA 4 -1.608 -6.317 -14.824 57 H ALA 5 H ALA 5 1.272 -5.196 -12.159 58 HA ALA 5 HA ALA 5 -0.707 -5.274 -9.989 59 HB1 ALA 5 HB1 ALA 5 1.711 -5.884 -9.612 60 HB2 ALA 5 HB2 ALA 5 2.154 -4.208 -10.024 61 HB3 ALA 5 HB3 ALA 5 1.134 -4.541 -8.606 62 H ALA 6 H ALA 6 -1.473 -3.440 -8.960 63 HA ALA 6 HA ALA 6 -2.317 -1.325 -10.556 64 HB1 ALA 6 HB1 ALA 6 -3.427 -2.112 -8.502 65 HB2 ALA 6 HB2 ALA 6 -2.083 -1.493 -7.516 66 HB3 ALA 6 HB3 ALA 6 -3.131 -0.378 -8.413 67 HA PRO 7 HA PRO 7 0.955 1.608 -10.797 68 HB2 PRO 7 HB2 PRO 7 -0.200 4.076 -10.398 69 HB3 PRO 7 HB3 PRO 7 -0.370 3.107 -11.893 70 HG2 PRO 7 HG2 PRO 7 -2.284 3.261 -9.542 71 HG3 PRO 7 HG3 PRO 7 -2.666 3.389 -11.291 72 HD2 PRO 7 HD2 PRO 7 -3.005 1.070 -9.970 73 HD3 PRO 7 HD3 PRO 7 -2.325 1.055 -11.620 74 H TRP 8 H TRP 8 -1.050 1.842 -7.876 75 HA TRP 8 HA TRP 8 1.014 3.167 -6.296 76 HB2 TRP 8 HB2 TRP 8 -0.724 2.505 -4.444 77 HB3 TRP 8 HB3 TRP 8 -1.059 3.783 -5.565 78 HD1 TRP 8 HD1 TRP 8 -3.212 3.606 -6.989 79 HE1 TRP 8 HE1 TRP 8 -5.166 1.905 -7.145 80 HE3 TRP 8 HE3 TRP 8 -1.173 -0.269 -4.340 81 HZ2 TRP 8 HZ2 TRP 8 -5.724 -0.732 -6.290 82 HZ3 TRP 8 HZ3 TRP 8 -2.469 -2.372 -3.999 83 HH2 TRP 8 HH2 TRP 8 -4.746 -2.607 -4.989 84 H TYR 9 H TYR 9 0.905 -0.090 -7.317 85 HA TYR 9 HA TYR 9 1.767 -1.107 -4.673 86 HB2 TYR 9 HB2 TYR 9 0.133 -2.384 -5.992 87 HB3 TYR 9 HB3 TYR 9 1.348 -2.616 -7.248 88 HD1 TYR 9 HD1 TYR 9 0.623 -3.223 -3.615 89 HD2 TYR 9 HD2 TYR 9 2.955 -4.401 -7.048 90 HE1 TYR 9 HE1 TYR 9 1.465 -5.197 -2.360 91 HE2 TYR 9 HE2 TYR 9 3.759 -6.406 -5.798 92 HH TYR 9 HH TYR 9 2.790 -7.082 -2.441 93 H HIS 10 H HIS 10 3.760 -1.401 -4.071 94 HA HIS 10 HA HIS 10 6.015 -1.228 -6.042 95 HB2 HIS 10 HB2 HIS 10 5.638 0.041 -3.318 96 HB3 HIS 10 HB3 HIS 10 7.228 -0.170 -4.042 97 HD2 HIS 10 HD2 HIS 10 3.874 1.554 -5.104 98 HE1 HIS 10 HE1 HIS 10 7.107 3.665 -6.893 99 HE2 HIS 10 HE2 HIS 10 4.574 3.580 -6.658 100 H GLY 11 H GLY 11 4.599 -3.624 -4.371 101 HA2 GLY 11 HA2 GLY 11 5.396 -5.750 -3.829 102 HA3 GLY 11 HA3 GLY 11 6.888 -5.277 -4.625 103 HA PRO 12 HA PRO 12 7.975 -5.884 -0.181 104 HB2 PRO 12 HB2 PRO 12 10.354 -7.167 -0.458 105 HB3 PRO 12 HB3 PRO 12 8.779 -7.959 -0.734 106 HG2 PRO 12 HG2 PRO 12 10.651 -6.769 -2.804 107 HG3 PRO 12 HG3 PRO 12 9.839 -8.370 -2.827 108 HD2 PRO 12 HD2 PRO 12 8.863 -6.156 -4.140 109 HD3 PRO 12 HD3 PRO 12 7.798 -7.431 -3.476 110 H LEU 13 H LEU 13 7.943 -3.417 -0.909 111 HA LEU 13 HA LEU 13 10.543 -2.107 -0.764 112 HB2 LEU 13 HB2 LEU 13 8.412 -1.263 -1.951 113 HB3 LEU 13 HB3 LEU 13 7.773 -0.925 -0.349 114 HG LEU 13 HG LEU 13 9.807 0.586 0.024 115 HD11 LEU 13 HD11 LEU 13 11.278 -0.259 -1.772 116 HD12 LEU 13 HD12 LEU 13 10.063 0.178 -2.991 117 HD13 LEU 13 HD13 LEU 13 10.893 1.440 -2.064 118 HD21 LEU 13 HD21 LEU 13 7.934 1.322 -2.259 119 HD22 LEU 13 HD22 LEU 13 7.561 1.463 -0.527 120 HD23 LEU 13 HD23 LEU 13 8.850 2.448 -1.239 121 H SER 14 H SER 14 11.525 -1.216 1.052 122 HA SER 14 HA SER 14 10.518 -1.989 3.708 123 HB2 SER 14 HB2 SER 14 13.073 -0.905 2.610 124 HB3 SER 14 HB3 SER 14 12.688 -0.519 4.298 125 HG SER 14 HG SER 14 13.518 -2.819 3.219 126 H ARG 15 H ARG 15 10.445 -0.456 5.487 127 HA ARG 15 HA ARG 15 8.730 1.820 5.074 128 HB2 ARG 15 HB2 ARG 15 10.503 0.929 7.389 129 HB3 ARG 15 HB3 ARG 15 9.790 2.533 7.371 130 HG2 ARG 15 HG2 ARG 15 7.508 1.458 7.037 131 HG3 ARG 15 HG3 ARG 15 8.285 -0.103 7.340 132 HD2 ARG 15 HD2 ARG 15 7.244 0.769 9.382 133 HD3 ARG 15 HD3 ARG 15 9.008 0.706 9.577 134 HE ARG 15 HE ARG 15 8.549 3.291 8.661 135 HH11 ARG 15 HH11 ARG 15 7.281 1.630 11.462 136 HH12 ARG 15 HH12 ARG 15 7.196 3.119 12.372 137 HH21 ARG 15 HH21 ARG 15 8.522 4.981 9.752 138 HH22 ARG 15 HH22 ARG 15 7.918 5.073 11.400 139 H THR 16 H THR 16 12.297 1.762 5.575 140 HA THR 16 HA THR 16 12.650 4.521 5.641 141 HB THR 16 HB THR 16 14.645 2.564 4.431 142 HG1 THR 16 HG1 THR 16 15.264 2.296 6.630 143 HG21 THR 16 HG21 THR 16 15.396 4.906 4.432 144 HG22 THR 16 HG22 THR 16 14.954 5.074 6.147 145 HG23 THR 16 HG23 THR 16 16.284 3.996 5.659 146 H ASP 17 H ASP 17 12.712 2.399 2.746 147 HA ASP 17 HA ASP 17 13.226 4.422 0.834 148 HB2 ASP 17 HB2 ASP 17 11.821 1.741 0.529 149 HB3 ASP 17 HB3 ASP 17 12.626 2.666 -0.749 150 H ALA 18 H ALA 18 10.112 2.980 1.955 151 HA ALA 18 HA ALA 18 8.378 4.557 0.330 152 HB1 ALA 18 HB1 ALA 18 7.658 2.573 1.629 153 HB2 ALA 18 HB2 ALA 18 7.961 3.438 3.147 154 HB3 ALA 18 HB3 ALA 18 6.682 3.996 2.055 155 H GLU 19 H GLU 19 9.763 5.238 3.571 156 HA GLU 19 HA GLU 19 8.537 7.808 3.869 157 HB2 GLU 19 HB2 GLU 19 10.930 6.493 5.200 158 HB3 GLU 19 HB3 GLU 19 10.277 8.068 5.683 159 HG2 GLU 19 HG2 GLU 19 8.138 7.131 6.262 160 HG3 GLU 19 HG3 GLU 19 8.537 5.566 5.600 161 H ASN 20 H ASN 20 11.758 6.915 2.527 162 HA ASN 20 HA ASN 20 12.542 9.679 2.087 163 HB2 ASN 20 HB2 ASN 20 13.597 6.967 1.242 164 HB3 ASN 20 HB3 ASN 20 14.180 8.410 0.424 165 HD21 ASN 20 HD21 ASN 20 14.006 6.848 3.586 166 HD22 ASN 20 HD22 ASN 20 15.303 7.849 4.276 167 H SER 21 H SER 21 10.578 7.490 0.191 168 HA SER 21 HA SER 21 10.587 9.190 -2.203 169 HB2 SER 21 HB2 SER 21 8.879 6.843 -1.312 170 HB3 SER 21 HB3 SER 21 8.637 7.728 -2.832 171 HG SER 21 HG SER 21 10.373 5.801 -2.342 172 H LEU 22 H LEU 22 8.175 8.495 0.416 173 HA LEU 22 HA LEU 22 6.347 10.455 -0.648 174 HB2 LEU 22 HB2 LEU 22 6.421 8.585 1.690 175 HB3 LEU 22 HB3 LEU 22 5.329 9.949 1.783 176 HG LEU 22 HG LEU 22 4.082 9.324 -0.103 177 HD11 LEU 22 HD11 LEU 22 5.765 8.557 -1.700 178 HD12 LEU 22 HD12 LEU 22 6.127 7.147 -0.671 179 HD13 LEU 22 HD13 LEU 22 4.540 7.306 -1.469 180 HD21 LEU 22 HD21 LEU 22 4.767 6.713 1.318 181 HD22 LEU 22 HD22 LEU 22 3.794 8.004 2.029 182 HD23 LEU 22 HD23 LEU 22 3.218 7.186 0.573 183 H LEU 23 H LEU 23 8.807 10.758 1.939 184 HA LEU 23 HA LEU 23 7.985 13.374 2.781 185 HB2 LEU 23 HB2 LEU 23 9.571 11.867 3.967 186 HB3 LEU 23 HB3 LEU 23 10.740 12.072 2.660 187 HG LEU 23 HG LEU 23 10.984 14.471 3.242 188 HD11 LEU 23 HD11 LEU 23 8.771 14.950 4.215 189 HD12 LEU 23 HD12 LEU 23 9.084 13.809 5.543 190 HD13 LEU 23 HD13 LEU 23 10.037 15.303 5.386 191 HD21 LEU 23 HD21 LEU 23 11.336 12.583 5.591 192 HD22 LEU 23 HD22 LEU 23 12.464 12.798 4.234 193 HD23 LEU 23 HD23 LEU 23 12.163 14.139 5.350 194 H ARG 24 H ARG 24 9.306 12.358 -0.221 195 HA ARG 24 HA ARG 24 10.320 15.060 -0.951 196 HB2 ARG 24 HB2 ARG 24 11.299 12.552 -1.438 197 HB3 ARG 24 HB3 ARG 24 10.332 12.778 -2.892 198 HG2 ARG 24 HG2 ARG 24 11.546 14.983 -3.264 199 HG3 ARG 24 HG3 ARG 24 12.535 14.610 -1.835 200 HD2 ARG 24 HD2 ARG 24 12.361 12.945 -4.359 201 HD3 ARG 24 HD3 ARG 24 13.709 13.997 -3.900 202 HE ARG 24 HE ARG 24 13.061 12.010 -1.842 203 HH11 ARG 24 HH11 ARG 24 14.587 12.029 -4.939 204 HH12 ARG 24 HH12 ARG 24 15.595 10.679 -4.557 205 HH21 ARG 24 HH21 ARG 24 14.372 10.267 -1.429 206 HH22 ARG 24 HH22 ARG 24 15.517 9.751 -2.619 207 H MET 25 H MET 25 7.468 13.326 -1.114 208 HA MET 25 HA MET 25 6.511 14.555 -3.649 209 HB2 MET 25 HB2 MET 25 5.614 12.147 -2.022 210 HB3 MET 25 HB3 MET 25 4.661 12.824 -3.331 211 HG2 MET 25 HG2 MET 25 7.514 11.853 -3.681 212 HG3 MET 25 HG3 MET 25 6.096 10.864 -3.975 213 HE1 MET 25 HE1 MET 25 4.615 10.932 -6.149 214 HE2 MET 25 HE2 MET 25 3.978 12.471 -5.526 215 HE3 MET 25 HE3 MET 25 4.522 12.349 -7.210 216 HA PRO 26 HA PRO 26 3.736 17.097 -1.222 217 HB2 PRO 26 HB2 PRO 26 1.536 17.398 -2.780 218 HB3 PRO 26 HB3 PRO 26 3.120 18.099 -3.253 219 HG2 PRO 26 HG2 PRO 26 1.941 15.442 -4.095 220 HG3 PRO 26 HG3 PRO 26 2.573 16.734 -5.172 221 HD2 PRO 26 HD2 PRO 26 4.121 14.625 -4.453 222 HD3 PRO 26 HD3 PRO 26 4.822 16.267 -4.550 223 H GLU 27 H GLU 27 1.665 17.058 -0.134 224 HA GLU 27 HA GLU 27 1.089 14.651 1.228 225 HB2 GLU 27 HB2 GLU 27 0.805 16.917 2.120 226 HB3 GLU 27 HB3 GLU 27 -0.515 17.220 0.977 227 HG2 GLU 27 HG2 GLU 27 -1.874 15.452 2.038 228 HG3 GLU 27 HG3 GLU 27 -0.511 15.036 3.086 229 H GLY 28 H GLY 28 -0.484 13.138 1.144 230 HA2 GLY 28 HA2 GLY 28 -2.346 11.967 0.366 231 HA3 GLY 28 HA3 GLY 28 -2.647 13.204 -0.858 232 H THR 29 H THR 29 0.619 12.117 -0.793 233 HA THR 29 HA THR 29 0.251 10.465 -3.240 234 HB THR 29 HB THR 29 2.852 11.159 -1.857 235 HG1 THR 29 HG1 THR 29 2.030 13.030 -2.568 236 HG21 THR 29 HG21 THR 29 2.975 9.161 -3.214 237 HG22 THR 29 HG22 THR 29 2.244 9.986 -4.606 238 HG23 THR 29 HG23 THR 29 3.851 10.449 -4.009 239 H PHE 30 H PHE 30 0.182 8.255 -3.088 240 HA PHE 30 HA PHE 30 1.046 6.997 -0.522 241 HB2 PHE 30 HB2 PHE 30 -0.990 5.804 -0.344 242 HB3 PHE 30 HB3 PHE 30 -1.363 7.504 -0.524 243 HD1 PHE 30 HD1 PHE 30 -2.382 8.363 -2.631 244 HD2 PHE 30 HD2 PHE 30 -1.669 4.162 -2.007 245 HE1 PHE 30 HE1 PHE 30 -3.890 7.825 -4.531 246 HE2 PHE 30 HE2 PHE 30 -3.202 3.626 -3.880 247 HZ PHE 30 HZ PHE 30 -4.289 5.449 -5.166 248 H LEU 31 H LEU 31 1.273 4.726 -0.512 249 HA LEU 31 HA LEU 31 1.441 3.295 -3.063 250 HB2 LEU 31 HB2 LEU 31 3.719 2.515 -2.776 251 HB3 LEU 31 HB3 LEU 31 3.665 4.260 -2.862 252 HG LEU 31 HG LEU 31 3.741 4.176 -0.227 253 HD11 LEU 31 HD11 LEU 31 3.558 1.729 0.140 254 HD12 LEU 31 HD12 LEU 31 4.943 1.454 -0.941 255 HD13 LEU 31 HD13 LEU 31 5.144 2.301 0.613 256 HD21 LEU 31 HD21 LEU 31 6.141 3.438 -1.938 257 HD22 LEU 31 HD22 LEU 31 5.482 5.064 -1.656 258 HD23 LEU 31 HD23 LEU 31 6.185 4.173 -0.314 259 H VAL 32 H VAL 32 1.587 0.996 -2.793 260 HA VAL 32 HA VAL 32 1.051 -0.016 -0.046 261 HB VAL 32 HB VAL 32 -0.174 -1.155 -2.567 262 HG11 VAL 32 HG11 VAL 32 0.254 -2.934 -0.947 263 HG12 VAL 32 HG12 VAL 32 -0.431 -1.947 0.365 264 HG13 VAL 32 HG13 VAL 32 -1.469 -2.557 -0.935 265 HG21 VAL 32 HG21 VAL 32 -1.449 0.340 -0.229 266 HG22 VAL 32 HG22 VAL 32 -1.306 0.947 -1.893 267 HG23 VAL 32 HG23 VAL 32 -2.333 -0.448 -1.555 268 H ARG 33 H ARG 33 2.223 -1.686 0.600 269 HA ARG 33 HA ARG 33 4.131 -3.053 -1.249 270 HB2 ARG 33 HB2 ARG 33 5.986 -2.566 0.273 271 HB3 ARG 33 HB3 ARG 33 5.253 -1.070 -0.312 272 HG2 ARG 33 HG2 ARG 33 3.925 -1.009 1.887 273 HG3 ARG 33 HG3 ARG 33 4.912 -2.378 2.410 274 HD2 ARG 33 HD2 ARG 33 6.945 -0.829 1.902 275 HD3 ARG 33 HD3 ARG 33 5.766 0.465 1.753 276 HE ARG 33 HE ARG 33 5.362 0.424 4.028 277 HH11 ARG 33 HH11 ARG 33 7.426 -2.369 3.264 278 HH12 ARG 33 HH12 ARG 33 7.357 -2.961 4.898 279 HH21 ARG 33 HH21 ARG 33 5.368 -0.453 6.084 280 HH22 ARG 33 HH22 ARG 33 6.270 -1.938 6.393 281 H ASP 34 H ASP 34 5.151 -4.928 -0.279 282 HA ASP 34 HA ASP 34 3.379 -6.670 1.259 283 HB2 ASP 34 HB2 ASP 34 4.855 -7.552 -0.447 284 HB3 ASP 34 HB3 ASP 34 6.262 -6.880 0.369 285 H SER 35 H SER 35 3.695 -7.453 3.373 286 HA SER 35 HA SER 35 4.280 -5.173 5.094 287 HB2 SER 35 HB2 SER 35 2.201 -6.343 5.322 288 HB3 SER 35 HB3 SER 35 3.053 -7.872 5.585 289 HG SER 35 HG SER 35 2.412 -7.155 7.487 290 H THR 36 H THR 36 6.118 -4.791 6.017 291 HA THR 36 HA THR 36 8.329 -6.497 6.183 292 HB THR 36 HB THR 36 8.756 -4.547 8.182 293 HG1 THR 36 HG1 THR 36 7.955 -2.803 7.623 294 HG21 THR 36 HG21 THR 36 10.348 -5.172 6.437 295 HG22 THR 36 HG22 THR 36 9.349 -4.368 5.209 296 HG23 THR 36 HG23 THR 36 10.124 -3.421 6.507 297 H SER 37 H SER 37 5.750 -7.163 7.998 298 HA SER 37 HA SER 37 7.381 -8.387 10.186 299 HB2 SER 37 HB2 SER 37 4.647 -7.160 10.652 300 HB3 SER 37 HB3 SER 37 5.780 -7.796 11.855 301 HG SER 37 HG SER 37 6.214 -5.724 11.987 302 H SER 38 H SER 38 5.010 -8.879 7.749 303 HA SER 38 HA SER 38 4.057 -11.417 8.969 304 HB2 SER 38 HB2 SER 38 2.266 -9.090 8.205 305 HB3 SER 38 HB3 SER 38 1.706 -10.697 8.700 306 HG SER 38 HG SER 38 2.298 -10.284 10.718 307 HA PRO 39 HA PRO 39 4.589 -11.694 4.421 308 HB2 PRO 39 HB2 PRO 39 4.507 -14.545 4.397 309 HB3 PRO 39 HB3 PRO 39 5.947 -13.493 4.319 310 HG2 PRO 39 HG2 PRO 39 4.877 -15.054 6.600 311 HG3 PRO 39 HG3 PRO 39 6.516 -14.379 6.372 312 HD2 PRO 39 HD2 PRO 39 4.501 -13.389 8.078 313 HD3 PRO 39 HD3 PRO 39 5.978 -12.509 7.590 314 H GLY 40 H GLY 40 2.916 -11.497 3.056 315 HA2 GLY 40 HA2 GLY 40 0.917 -12.199 1.964 316 HA3 GLY 40 HA3 GLY 40 0.452 -13.136 3.381 317 H ASP 41 H ASP 41 1.272 -10.450 4.950 318 HA ASP 41 HA ASP 41 -1.312 -8.988 4.612 319 HB2 ASP 41 HB2 ASP 41 1.094 -8.529 6.422 320 HB3 ASP 41 HB3 ASP 41 -0.205 -7.372 6.252 321 H TYR 42 H TYR 42 -1.237 -6.707 4.042 322 HA TYR 42 HA TYR 42 1.278 -5.774 2.706 323 HB2 TYR 42 HB2 TYR 42 -1.560 -5.072 1.917 324 HB3 TYR 42 HB3 TYR 42 -0.088 -4.485 1.160 325 HD1 TYR 42 HD1 TYR 42 1.444 -6.167 0.003 326 HD2 TYR 42 HD2 TYR 42 -2.498 -7.200 1.402 327 HE1 TYR 42 HE1 TYR 42 1.456 -8.234 -1.432 328 HE2 TYR 42 HE2 TYR 42 -2.481 -9.231 -0.020 329 HH TYR 42 HH TYR 42 -1.267 -10.501 -1.450 330 H VAL 43 H VAL 43 1.398 -3.354 2.583 331 HA VAL 43 HA VAL 43 0.183 -1.944 4.916 332 HB VAL 43 HB VAL 43 3.128 -1.793 4.157 333 HG11 VAL 43 HG11 VAL 43 2.310 0.406 4.935 334 HG12 VAL 43 HG12 VAL 43 1.587 -0.359 6.362 335 HG13 VAL 43 HG13 VAL 43 3.343 -0.333 6.160 336 HG21 VAL 43 HG21 VAL 43 1.783 -2.868 6.667 337 HG22 VAL 43 HG22 VAL 43 2.611 -3.831 5.441 338 HG23 VAL 43 HG23 VAL 43 3.541 -2.698 6.426 339 H LEU 44 H LEU 44 -0.684 -0.087 4.390 340 HA LEU 44 HA LEU 44 -0.190 1.256 1.784 341 HB2 LEU 44 HB2 LEU 44 -2.509 0.930 2.440 342 HB3 LEU 44 HB3 LEU 44 -2.212 1.596 4.034 343 HG LEU 44 HG LEU 44 -1.918 3.840 3.098 344 HD11 LEU 44 HD11 LEU 44 -1.001 3.430 0.887 345 HD12 LEU 44 HD12 LEU 44 -2.445 2.508 0.406 346 HD13 LEU 44 HD13 LEU 44 -2.549 4.254 0.703 347 HD21 LEU 44 HD21 LEU 44 -4.413 2.427 2.042 348 HD22 LEU 44 HD22 LEU 44 -4.178 3.005 3.705 349 HD23 LEU 44 HD23 LEU 44 -4.249 4.162 2.371 350 H SER 45 H SER 45 1.189 2.999 1.739 351 HA SER 45 HA SER 45 1.917 4.337 4.303 352 HB2 SER 45 HB2 SER 45 3.776 3.934 1.926 353 HB3 SER 45 HB3 SER 45 4.122 4.902 3.368 354 HG SER 45 HG SER 45 4.108 2.981 4.583 355 H CYS 46 H CYS 46 1.852 6.569 4.282 356 HA CYS 46 HA CYS 46 0.840 7.931 1.804 357 HB2 CYS 46 HB2 CYS 46 -0.563 7.181 4.247 358 HB3 CYS 46 HB3 CYS 46 -0.433 8.931 4.185 359 HG CYS 46 HG CYS 46 -2.707 8.265 3.240 360 H SER 47 H SER 47 1.407 10.101 1.528 361 HA SER 47 HA SER 47 3.154 11.372 3.576 362 HB2 SER 47 HB2 SER 47 3.354 13.217 1.942 363 HB3 SER 47 HB3 SER 47 3.971 11.667 1.358 364 HG SER 47 HG SER 47 2.558 13.027 -0.074 365 H GLU 48 H GLU 48 2.161 12.334 5.222 366 HA GLU 48 HA GLU 48 -0.340 13.911 4.833 367 HB2 GLU 48 HB2 GLU 48 -0.017 11.466 6.600 368 HB3 GLU 48 HB3 GLU 48 -1.202 12.723 6.911 369 HG2 GLU 48 HG2 GLU 48 -2.283 12.332 4.727 370 HG3 GLU 48 HG3 GLU 48 -1.117 11.044 4.383 371 H ASN 49 H ASN 49 -0.395 15.722 6.113 372 HA ASN 49 HA ASN 49 0.202 17.256 7.635 373 HB2 ASN 49 HB2 ASN 49 -1.085 15.523 8.923 374 HB3 ASN 49 HB3 ASN 49 0.446 14.919 9.554 375 HD21 ASN 49 HD21 ASN 49 -1.479 15.759 11.292 376 HD22 ASN 49 HD22 ASN 49 -1.007 17.327 11.961 377 H GLY 50 H GLY 50 2.245 16.863 6.031 378 HA2 GLY 50 HA2 GLY 50 4.463 17.424 5.744 379 HA3 GLY 50 HA3 GLY 50 4.505 17.908 7.441 380 H LYS 51 H LYS 51 3.660 14.603 7.103 381 HA LYS 51 HA LYS 51 6.471 13.631 7.291 382 HB2 LYS 51 HB2 LYS 51 5.895 12.298 9.285 383 HB3 LYS 51 HB3 LYS 51 5.653 14.016 9.595 384 HG2 LYS 51 HG2 LYS 51 3.256 13.809 9.271 385 HG3 LYS 51 HG3 LYS 51 3.407 12.108 8.790 386 HD2 LYS 51 HD2 LYS 51 4.144 11.544 11.080 387 HD3 LYS 51 HD3 LYS 51 4.000 13.272 11.531 388 HE2 LYS 51 HE2 LYS 51 1.604 13.184 10.643 389 HE3 LYS 51 HE3 LYS 51 1.779 11.438 10.485 390 HZ1 LYS 51 HZ1 LYS 51 2.189 11.355 12.901 391 HZ2 LYS 51 HZ2 LYS 51 1.954 12.990 13.003 392 HZ3 LYS 51 HZ3 LYS 51 0.722 11.999 12.566 393 H VAL 52 H VAL 52 5.924 10.990 7.793 394 HA VAL 52 HA VAL 52 4.126 10.112 5.603 395 HB VAL 52 HB VAL 52 6.823 8.900 6.240 396 HG11 VAL 52 HG11 VAL 52 5.230 7.159 5.507 397 HG12 VAL 52 HG12 VAL 52 4.765 8.157 4.118 398 HG13 VAL 52 HG13 VAL 52 6.395 7.483 4.225 399 HG21 VAL 52 HG21 VAL 52 5.831 10.594 3.919 400 HG22 VAL 52 HG22 VAL 52 7.176 10.946 5.017 401 HG23 VAL 52 HG23 VAL 52 7.326 9.637 3.848 402 H THR 53 H THR 53 2.737 8.549 6.077 403 HA THR 53 HA THR 53 2.723 7.329 8.798 404 HB THR 53 HB THR 53 0.240 7.230 8.422 405 HG1 THR 53 HG1 THR 53 -0.546 8.636 6.705 406 HG21 THR 53 HG21 THR 53 1.299 9.051 9.761 407 HG22 THR 53 HG22 THR 53 1.426 10.041 8.283 408 HG23 THR 53 HG23 THR 53 -0.168 9.584 8.914 409 H HIS 54 H HIS 54 1.537 5.195 8.906 410 HA HIS 54 HA HIS 54 1.691 3.535 6.491 411 HB2 HIS 54 HB2 HIS 54 3.234 2.756 8.999 412 HB3 HIS 54 HB3 HIS 54 3.049 1.790 7.538 413 HD2 HIS 54 HD2 HIS 54 4.960 4.750 9.007 414 HE1 HIS 54 HE1 HIS 54 6.883 3.805 5.319 415 HE2 HIS 54 HE2 HIS 54 7.091 5.115 7.477 416 H TYR 55 H TYR 55 0.029 2.167 6.465 417 HA TYR 55 HA TYR 55 -1.372 1.412 8.998 418 HB2 TYR 55 HB2 TYR 55 -2.642 2.110 6.330 419 HB3 TYR 55 HB3 TYR 55 -3.464 1.769 7.848 420 HD1 TYR 55 HD1 TYR 55 -3.367 3.423 9.740 421 HD2 TYR 55 HD2 TYR 55 -1.744 4.300 5.833 422 HE1 TYR 55 HE1 TYR 55 -3.266 5.836 10.324 423 HE2 TYR 55 HE2 TYR 55 -1.665 6.724 6.431 424 HH TYR 55 HH TYR 55 -2.886 7.941 9.513 425 H LYS 56 H LYS 56 -2.094 -0.744 9.112 426 HA LYS 56 HA LYS 56 -0.891 -2.558 7.094 427 HB2 LYS 56 HB2 LYS 56 -2.191 -3.147 9.780 428 HB3 LYS 56 HB3 LYS 56 -1.696 -4.368 8.615 429 HG2 LYS 56 HG2 LYS 56 0.657 -3.255 8.685 430 HG3 LYS 56 HG3 LYS 56 0.083 -2.415 10.123 431 HD2 LYS 56 HD2 LYS 56 1.320 -4.388 10.807 432 HD3 LYS 56 HD3 LYS 56 -0.392 -4.678 11.166 433 HE2 LYS 56 HE2 LYS 56 -0.587 -5.934 8.979 434 HE3 LYS 56 HE3 LYS 56 1.132 -5.679 8.697 435 HZ1 LYS 56 HZ1 LYS 56 1.598 -7.184 10.529 436 HZ2 LYS 56 HZ2 LYS 56 -0.013 -7.202 10.978 437 HZ3 LYS 56 HZ3 LYS 56 0.443 -7.848 9.607 438 H LEU 57 H LEU 57 -1.848 -3.745 5.717 439 HA LEU 57 HA LEU 57 -4.825 -3.820 5.408 440 HB2 LEU 57 HB2 LEU 57 -2.492 -3.968 3.480 441 HB3 LEU 57 HB3 LEU 57 -4.124 -4.404 2.995 442 HG LEU 57 HG LEU 57 -3.536 -1.643 4.122 443 HD11 LEU 57 HD11 LEU 57 -1.897 -1.808 2.427 444 HD12 LEU 57 HD12 LEU 57 -2.960 -2.698 1.344 445 HD13 LEU 57 HD13 LEU 57 -3.268 -0.982 1.653 446 HD21 LEU 57 HD21 LEU 57 -5.498 -2.565 1.979 447 HD22 LEU 57 HD22 LEU 57 -5.918 -2.419 3.696 448 HD23 LEU 57 HD23 LEU 57 -5.439 -0.983 2.779 449 H SER 58 H SER 58 -4.928 -5.530 6.945 450 HA SER 58 HA SER 58 -3.149 -7.853 6.754 451 HB2 SER 58 HB2 SER 58 -5.563 -7.376 8.524 452 HB3 SER 58 HB3 SER 58 -4.369 -8.673 8.704 453 HG SER 58 HG SER 58 -4.105 -6.798 10.065 454 H ALA 59 H ALA 59 -3.741 -9.976 6.207 455 HA ALA 59 HA ALA 59 -6.068 -10.173 4.399 456 HB1 ALA 59 HB1 ALA 59 -3.913 -11.070 3.689 457 HB2 ALA 59 HB2 ALA 59 -3.888 -12.173 5.083 458 HB3 ALA 59 HB3 ALA 59 -5.126 -12.361 3.819 459 H GLU 60 H GLU 60 -8.021 -10.860 4.981 460 HA GLU 60 HA GLU 60 -8.342 -12.727 7.302 461 HB2 GLU 60 HB2 GLU 60 -8.711 -10.128 7.648 462 HB3 GLU 60 HB3 GLU 60 -10.250 -10.427 6.846 463 HG2 GLU 60 HG2 GLU 60 -10.779 -12.139 8.597 464 HG3 GLU 60 HG3 GLU 60 -9.203 -11.844 9.343 465 H GLU 61 H GLU 61 -9.204 -14.571 6.449 466 HA GLU 61 HA GLU 61 -10.058 -15.988 4.874 467 HB2 GLU 61 HB2 GLU 61 -12.374 -14.278 5.709 468 HB3 GLU 61 HB3 GLU 61 -12.620 -15.494 4.448 469 HG2 GLU 61 HG2 GLU 61 -11.594 -17.229 5.884 470 HG3 GLU 61 HG3 GLU 61 -11.474 -16.067 7.206 471 H GLY 62 H GLY 62 -8.518 -13.948 3.659 472 HA2 GLY 62 HA2 GLY 62 -7.802 -13.747 1.414 473 HA3 GLY 62 HA3 GLY 62 -9.358 -14.366 0.854 474 H LYS 63 H LYS 63 -10.225 -12.075 3.028 475 HA LYS 63 HA LYS 63 -10.386 -9.830 1.069 476 HB2 LYS 63 HB2 LYS 63 -11.891 -10.444 3.660 477 HB3 LYS 63 HB3 LYS 63 -12.110 -8.984 2.708 478 HG2 LYS 63 HG2 LYS 63 -12.665 -10.447 0.709 479 HG3 LYS 63 HG3 LYS 63 -12.655 -11.839 1.808 480 HD2 LYS 63 HD2 LYS 63 -14.406 -10.702 3.196 481 HD3 LYS 63 HD3 LYS 63 -14.499 -9.415 1.978 482 HE2 LYS 63 HE2 LYS 63 -14.988 -12.393 1.514 483 HE3 LYS 63 HE3 LYS 63 -16.259 -11.177 1.688 484 HZ1 LYS 63 HZ1 LYS 63 -15.391 -10.116 -0.407 485 HZ2 LYS 63 HZ2 LYS 63 -14.218 -11.160 -0.498 486 HZ3 LYS 63 HZ3 LYS 63 -15.752 -11.674 -0.691 487 H ILE 64 H ILE 64 -10.381 -7.646 2.341 488 HA ILE 64 HA ILE 64 -7.692 -7.490 3.653 489 HB ILE 64 HB ILE 64 -9.153 -5.672 1.715 490 HG12 ILE 64 HG12 ILE 64 -8.043 -7.554 0.629 491 HG13 ILE 64 HG13 ILE 64 -7.266 -6.038 0.234 492 HG21 ILE 64 HG21 ILE 64 -8.099 -4.180 3.288 493 HG22 ILE 64 HG22 ILE 64 -6.574 -5.084 3.218 494 HG23 ILE 64 HG23 ILE 64 -7.176 -4.182 1.798 495 HD11 ILE 64 HD11 ILE 64 -5.425 -6.566 1.860 496 HD12 ILE 64 HD12 ILE 64 -6.202 -8.135 2.179 497 HD13 ILE 64 HD13 ILE 64 -5.588 -7.760 0.565 498 H ARG 65 H ARG 65 -7.757 -7.046 5.699 499 HA ARG 65 HA ARG 65 -9.856 -5.262 6.866 500 HB2 ARG 65 HB2 ARG 65 -9.527 -7.471 7.932 501 HB3 ARG 65 HB3 ARG 65 -7.811 -7.144 8.104 502 HG2 ARG 65 HG2 ARG 65 -8.722 -6.797 10.248 503 HG3 ARG 65 HG3 ARG 65 -8.396 -5.189 9.622 504 HD2 ARG 65 HD2 ARG 65 -10.498 -5.042 10.671 505 HD3 ARG 65 HD3 ARG 65 -10.872 -5.095 8.947 506 HE ARG 65 HE ARG 65 -10.950 -7.776 9.786 507 HH11 ARG 65 HH11 ARG 65 -12.821 -4.888 10.646 508 HH12 ARG 65 HH12 ARG 65 -14.126 -5.867 11.229 509 HH21 ARG 65 HH21 ARG 65 -12.630 -8.826 10.274 510 HH22 ARG 65 HH22 ARG 65 -14.052 -8.120 11.041 511 H ILE 66 H ILE 66 -9.353 -3.187 7.403 512 HA ILE 66 HA ILE 66 -6.580 -2.505 8.114 513 HB ILE 66 HB ILE 66 -6.433 -1.974 5.846 514 HG12 ILE 66 HG12 ILE 66 -7.033 0.703 7.160 515 HG13 ILE 66 HG13 ILE 66 -5.640 -0.276 7.612 516 HG21 ILE 66 HG21 ILE 66 -8.858 -1.893 5.252 517 HG22 ILE 66 HG22 ILE 66 -8.972 -0.306 6.041 518 HG23 ILE 66 HG23 ILE 66 -7.969 -0.526 4.592 519 HD11 ILE 66 HD11 ILE 66 -4.718 -0.138 5.370 520 HD12 ILE 66 HD12 ILE 66 -6.137 0.768 4.794 521 HD13 ILE 66 HD13 ILE 66 -5.058 1.486 5.993 522 H ASP 67 H ASP 67 -6.479 -1.300 9.820 523 HA ASP 67 HA ASP 67 -7.250 -0.693 11.874 524 HB2 ASP 67 HB2 ASP 67 -7.337 1.513 10.918 525 HB3 ASP 67 HB3 ASP 67 -8.937 1.214 10.230 526 H THR 68 H THR 68 -10.455 0.113 11.469 527 HA THR 68 HA THR 68 -11.424 -2.527 12.354 528 HB THR 68 HB THR 68 -13.549 -1.303 12.808 529 HG1 THR 68 HG1 THR 68 -11.958 1.008 12.277 530 HG21 THR 68 HG21 THR 68 -11.739 -1.467 14.555 531 HG22 THR 68 HG22 THR 68 -11.134 0.110 14.008 532 HG23 THR 68 HG23 THR 68 -12.766 -0.015 14.687 533 H HIS 69 H HIS 69 -11.308 -0.798 9.384 534 HA HIS 69 HA HIS 69 -13.877 -1.637 8.322 535 HB2 HIS 69 HB2 HIS 69 -11.465 -0.440 6.917 536 HB3 HIS 69 HB3 HIS 69 -13.106 -0.555 6.278 537 HD2 HIS 69 HD2 HIS 69 -10.958 1.470 8.719 538 HE1 HIS 69 HE1 HIS 69 -14.711 3.470 8.427 539 HE2 HIS 69 HE2 HIS 69 -12.342 3.612 9.372 540 H LEU 70 H LEU 70 -14.288 -3.078 6.625 541 HA LEU 70 HA LEU 70 -12.123 -4.976 5.878 542 HB2 LEU 70 HB2 LEU 70 -13.662 -5.982 7.599 543 HB3 LEU 70 HB3 LEU 70 -15.004 -5.720 6.484 544 HG LEU 70 HG LEU 70 -13.734 -7.194 4.795 545 HD11 LEU 70 HD11 LEU 70 -11.491 -7.110 5.881 546 HD12 LEU 70 HD12 LEU 70 -12.155 -7.932 7.301 547 HD13 LEU 70 HD13 LEU 70 -12.081 -8.769 5.744 548 HD21 LEU 70 HD21 LEU 70 -14.593 -8.447 7.430 549 HD22 LEU 70 HD22 LEU 70 -15.664 -8.016 6.070 550 HD23 LEU 70 HD23 LEU 70 -14.440 -9.286 5.876 551 H PHE 71 H PHE 71 -11.812 -5.057 3.799 552 HA PHE 71 HA PHE 71 -13.966 -4.287 1.876 553 HB2 PHE 71 HB2 PHE 71 -10.972 -3.817 1.641 554 HB3 PHE 71 HB3 PHE 71 -12.190 -3.366 0.456 555 HD1 PHE 71 HD1 PHE 71 -14.025 -1.690 1.146 556 HD2 PHE 71 HD2 PHE 71 -10.441 -2.355 3.451 557 HE1 PHE 71 HE1 PHE 71 -14.402 0.445 2.358 558 HE2 PHE 71 HE2 PHE 71 -10.797 -0.174 4.606 559 HZ PHE 71 HZ PHE 71 -12.789 1.190 4.094 560 H ASP 72 H ASP 72 -13.939 -5.362 -0.158 561 HA ASP 72 HA ASP 72 -13.407 -8.165 -0.019 562 HB2 ASP 72 HB2 ASP 72 -15.165 -7.093 -1.385 563 HB3 ASP 72 HB3 ASP 72 -13.932 -6.333 -2.398 564 H ASN 73 H ASN 73 -11.484 -5.502 -1.347 565 HA ASN 73 HA ASN 73 -9.114 -7.172 -1.681 566 HB2 ASN 73 HB2 ASN 73 -8.959 -6.684 -4.134 567 HB3 ASN 73 HB3 ASN 73 -10.346 -7.688 -3.733 568 HD21 ASN 73 HD21 ASN 73 -12.417 -6.973 -4.363 569 HD22 ASN 73 HD22 ASN 73 -12.629 -5.368 -5.067 570 H LEU 74 H LEU 74 -7.318 -5.726 -2.742 571 HA LEU 74 HA LEU 74 -6.924 -3.493 -1.014 572 HB2 LEU 74 HB2 LEU 74 -5.493 -4.369 -3.560 573 HB3 LEU 74 HB3 LEU 74 -4.950 -3.033 -2.551 574 HG LEU 74 HG LEU 74 -5.112 -5.944 -1.665 575 HD11 LEU 74 HD11 LEU 74 -3.284 -5.440 -3.277 576 HD12 LEU 74 HD12 LEU 74 -2.742 -4.105 -2.235 577 HD13 LEU 74 HD13 LEU 74 -2.650 -5.782 -1.659 578 HD21 LEU 74 HD21 LEU 74 -4.205 -3.408 -0.257 579 HD22 LEU 74 HD22 LEU 74 -5.458 -4.536 0.283 580 HD23 LEU 74 HD23 LEU 74 -3.769 -5.045 0.304 581 H ASP 75 H ASP 75 -8.056 -3.504 -4.429 582 HA ASP 75 HA ASP 75 -7.629 -0.666 -4.789 583 HB2 ASP 75 HB2 ASP 75 -7.712 -2.455 -6.575 584 HB3 ASP 75 HB3 ASP 75 -9.462 -2.526 -6.341 585 H ALA 76 H ALA 76 -10.413 -2.628 -3.755 586 HA ALA 76 HA ALA 76 -12.290 -0.482 -3.484 587 HB1 ALA 76 HB1 ALA 76 -12.912 -2.862 -3.470 588 HB2 ALA 76 HB2 ALA 76 -12.020 -3.107 -1.952 589 HB3 ALA 76 HB3 ALA 76 -13.460 -2.063 -1.980 590 H ALA 77 H ALA 77 -9.744 -1.666 -1.225 591 HA ALA 77 HA ALA 77 -10.521 0.092 0.945 592 HB1 ALA 77 HB1 ALA 77 -9.170 -1.996 1.223 593 HB2 ALA 77 HB2 ALA 77 -7.818 -1.211 0.381 594 HB3 ALA 77 HB3 ALA 77 -8.395 -0.563 1.928 595 H ILE 78 H ILE 78 -8.163 0.405 -1.748 596 HA ILE 78 HA ILE 78 -7.227 3.042 -1.023 597 HB ILE 78 HB ILE 78 -7.364 1.579 -3.688 598 HG12 ILE 78 HG12 ILE 78 -5.838 0.476 -2.176 599 HG13 ILE 78 HG13 ILE 78 -4.929 1.298 -3.422 600 HG21 ILE 78 HG21 ILE 78 -7.311 3.931 -4.225 601 HG22 ILE 78 HG22 ILE 78 -5.983 4.220 -3.087 602 HG23 ILE 78 HG23 ILE 78 -5.725 3.231 -4.546 603 HD11 ILE 78 HD11 ILE 78 -4.402 3.125 -1.766 604 HD12 ILE 78 HD12 ILE 78 -5.261 2.189 -0.522 605 HD13 ILE 78 HD13 ILE 78 -3.817 1.525 -1.290 606 H THR 79 H THR 79 -9.877 2.024 -3.243 607 HA THR 79 HA THR 79 -10.733 4.644 -3.914 608 HB THR 79 HB THR 79 -12.320 2.055 -3.752 609 HG1 THR 79 HG1 THR 79 -10.753 1.838 -5.251 610 HG21 THR 79 HG21 THR 79 -13.908 3.923 -3.864 611 HG22 THR 79 HG22 THR 79 -12.964 4.682 -5.166 612 HG23 THR 79 HG23 THR 79 -13.801 3.140 -5.448 613 H PHE 80 H PHE 80 -11.734 2.617 -1.082 614 HA PHE 80 HA PHE 80 -13.697 4.426 -0.100 615 HB2 PHE 80 HB2 PHE 80 -13.377 2.140 0.746 616 HB3 PHE 80 HB3 PHE 80 -11.816 2.583 1.425 617 HD1 PHE 80 HD1 PHE 80 -15.491 3.034 1.732 618 HD2 PHE 80 HD2 PHE 80 -11.649 3.886 3.489 619 HE1 PHE 80 HE1 PHE 80 -16.608 3.766 3.832 620 HE2 PHE 80 HE2 PHE 80 -12.766 4.618 5.577 621 HZ PHE 80 HZ PHE 80 -15.245 4.558 5.753 622 H TYR 81 H TYR 81 -10.146 4.390 0.560 623 HA TYR 81 HA TYR 81 -10.392 6.899 2.055 624 HB2 TYR 81 HB2 TYR 81 -7.960 5.282 1.287 625 HB3 TYR 81 HB3 TYR 81 -7.956 6.705 2.329 626 HD1 TYR 81 HD1 TYR 81 -9.806 6.597 4.323 627 HD2 TYR 81 HD2 TYR 81 -7.866 3.238 2.433 628 HE1 TYR 81 HE1 TYR 81 -10.144 5.251 6.377 629 HE2 TYR 81 HE2 TYR 81 -8.239 1.876 4.493 630 HH TYR 81 HH TYR 81 -9.801 3.228 7.383 631 H MET 82 H MET 82 -10.658 6.517 -1.176 632 HA MET 82 HA MET 82 -9.400 9.167 -1.765 633 HB2 MET 82 HB2 MET 82 -11.054 7.358 -3.588 634 HB3 MET 82 HB3 MET 82 -10.362 8.927 -3.995 635 HG2 MET 82 HG2 MET 82 -8.120 7.775 -3.157 636 HG3 MET 82 HG3 MET 82 -8.974 6.304 -3.617 637 HE1 MET 82 HE1 MET 82 -6.221 7.368 -4.575 638 HE2 MET 82 HE2 MET 82 -6.816 5.885 -5.359 639 HE3 MET 82 HE3 MET 82 -6.205 7.230 -6.351 640 H GLU 83 H GLU 83 -12.590 7.583 -1.403 641 HA GLU 83 HA GLU 83 -14.128 10.032 -1.684 642 HB2 GLU 83 HB2 GLU 83 -14.765 7.298 -0.518 643 HB3 GLU 83 HB3 GLU 83 -15.961 8.564 -0.722 644 HG2 GLU 83 HG2 GLU 83 -14.354 7.343 -3.018 645 HG3 GLU 83 HG3 GLU 83 -15.920 6.754 -2.486 646 H HIS 84 H HIS 84 -12.722 8.316 1.098 647 HA HIS 84 HA HIS 84 -13.725 10.455 2.933 648 HB2 HIS 84 HB2 HIS 84 -13.176 7.545 3.615 649 HB3 HIS 84 HB3 HIS 84 -13.816 8.783 4.697 650 HD2 HIS 84 HD2 HIS 84 -14.847 6.377 1.950 651 HE1 HIS 84 HE1 HIS 84 -18.360 8.608 2.843 652 HE2 HIS 84 HE2 HIS 84 -17.414 6.663 1.486 653 H GLU 85 H GLU 85 -12.371 10.971 4.771 654 HA GLU 85 HA GLU 85 -9.519 11.031 4.174 655 HB2 GLU 85 HB2 GLU 85 -11.102 11.937 6.607 656 HB3 GLU 85 HB3 GLU 85 -9.360 12.185 6.377 657 HG2 GLU 85 HG2 GLU 85 -9.805 13.447 4.287 658 HG3 GLU 85 HG3 GLU 85 -11.541 13.243 4.512 659 H LEU 86 H LEU 86 -7.839 10.020 5.265 660 HA LEU 86 HA LEU 86 -8.513 7.349 6.309 661 HB2 LEU 86 HB2 LEU 86 -6.860 7.935 4.435 662 HB3 LEU 86 HB3 LEU 86 -5.775 8.514 5.689 663 HG LEU 86 HG LEU 86 -6.807 5.665 5.296 664 HD11 LEU 86 HD11 LEU 86 -5.121 6.399 3.681 665 HD12 LEU 86 HD12 LEU 86 -4.049 6.917 5.007 666 HD13 LEU 86 HD13 LEU 86 -4.440 5.195 4.791 667 HD21 LEU 86 HD21 LEU 86 -4.988 6.771 7.457 668 HD22 LEU 86 HD22 LEU 86 -6.501 5.860 7.665 669 HD23 LEU 86 HD23 LEU 86 -5.082 5.043 7.031 670 H GLU 87 H GLU 87 -6.385 10.030 7.348 671 HA GLU 87 HA GLU 87 -7.176 9.703 10.181 672 HB2 GLU 87 HB2 GLU 87 -5.322 8.076 9.940 673 HB3 GLU 87 HB3 GLU 87 -4.346 9.317 9.170 674 HG2 GLU 87 HG2 GLU 87 -3.409 9.296 11.217 675 HG3 GLU 87 HG3 GLU 87 -4.532 10.616 11.442 676 H TYR 88 H TYR 88 -4.836 11.371 7.925 677 HA TYR 88 HA TYR 88 -5.636 13.964 9.228 678 HB2 TYR 88 HB2 TYR 88 -3.088 13.344 7.733 679 HB3 TYR 88 HB3 TYR 88 -3.478 14.830 8.566 680 HD1 TYR 88 HD1 TYR 88 -3.611 14.867 11.080 681 HD2 TYR 88 HD2 TYR 88 -2.194 11.438 8.904 682 HE1 TYR 88 HE1 TYR 88 -2.459 14.048 13.141 683 HE2 TYR 88 HE2 TYR 88 -1.040 10.605 10.950 684 HH TYR 88 HH TYR 88 -1.514 12.130 14.065 685 H SER 89 H SER 89 -5.507 12.217 6.199 686 HA SER 89 HA SER 89 -7.051 14.308 4.889 687 HB2 SER 89 HB2 SER 89 -4.419 14.776 4.664 688 HB3 SER 89 HB3 SER 89 -4.503 13.501 3.435 689 HG SER 89 HG SER 89 -6.056 15.883 3.569 690 H SER 90 H SER 90 -7.478 13.517 2.481 691 HA SER 90 HA SER 90 -7.812 10.562 2.409 692 HB2 SER 90 HB2 SER 90 -9.155 11.002 0.373 693 HB3 SER 90 HB3 SER 90 -9.799 11.714 1.855 694 HG SER 90 HG SER 90 -9.841 13.105 0.060 695 H LEU 91 H LEU 91 -7.303 9.433 0.451 696 HA LEU 91 HA LEU 91 -4.578 9.790 -0.485 697 HB2 LEU 91 HB2 LEU 91 -6.843 8.063 -1.549 698 HB3 LEU 91 HB3 LEU 91 -5.149 7.901 -1.977 699 HG LEU 91 HG LEU 91 -6.483 7.241 0.670 700 HD11 LEU 91 HD11 LEU 91 -6.672 5.620 -1.197 701 HD12 LEU 91 HD12 LEU 91 -4.898 5.561 -1.314 702 HD13 LEU 91 HD13 LEU 91 -5.725 4.978 0.154 703 HD21 LEU 91 HD21 LEU 91 -3.536 7.215 0.008 704 HD22 LEU 91 HD22 LEU 91 -4.356 8.196 1.250 705 HD23 LEU 91 HD23 LEU 91 -4.272 6.440 1.426 706 H LYS 92 H LYS 92 -3.859 10.714 -2.362 707 HA LYS 92 HA LYS 92 -5.905 11.892 -4.226 708 HB2 LYS 92 HB2 LYS 92 -3.288 13.207 -3.397 709 HB3 LYS 92 HB3 LYS 92 -4.571 13.876 -4.416 710 HG2 LYS 92 HG2 LYS 92 -6.156 13.652 -2.449 711 HG3 LYS 92 HG3 LYS 92 -4.769 13.191 -1.455 712 HD2 LYS 92 HD2 LYS 92 -3.704 15.432 -2.068 713 HD3 LYS 92 HD3 LYS 92 -5.255 15.838 -2.828 714 HE2 LYS 92 HE2 LYS 92 -5.947 16.560 -0.778 715 HE3 LYS 92 HE3 LYS 92 -6.102 14.848 -0.397 716 HZ1 LYS 92 HZ1 LYS 92 -3.779 14.944 0.460 717 HZ2 LYS 92 HZ2 LYS 92 -3.795 16.585 0.329 718 HZ3 LYS 92 HZ3 LYS 92 -4.834 15.798 1.333 719 H GLN 93 H GLN 93 -2.602 10.505 -4.103 720 HA GLN 93 HA GLN 93 -2.981 9.701 -6.902 721 HB2 GLN 93 HB2 GLN 93 -1.007 10.842 -7.771 722 HB3 GLN 93 HB3 GLN 93 -2.173 11.994 -7.125 723 HG2 GLN 93 HG2 GLN 93 -0.791 12.042 -4.970 724 HG3 GLN 93 HG3 GLN 93 0.422 11.074 -5.820 725 HE21 GLN 93 HE21 GLN 93 1.505 13.196 -4.933 726 HE22 GLN 93 HE22 GLN 93 1.572 14.487 -6.159 727 HA PRO 94 HA PRO 94 -0.231 6.401 -5.581 728 HB2 PRO 94 HB2 PRO 94 0.360 5.210 -7.956 729 HB3 PRO 94 HB3 PRO 94 -1.282 5.144 -7.242 730 HG2 PRO 94 HG2 PRO 94 -0.294 7.050 -9.371 731 HG3 PRO 94 HG3 PRO 94 -1.779 6.043 -9.378 732 HD2 PRO 94 HD2 PRO 94 -1.811 8.658 -8.602 733 HD3 PRO 94 HD3 PRO 94 -2.850 7.437 -7.807 734 H LEU 95 H LEU 95 1.931 6.265 -5.160 735 HA LEU 95 HA LEU 95 3.830 8.153 -6.139 736 HB2 LEU 95 HB2 LEU 95 4.148 6.953 -4.011 737 HB3 LEU 95 HB3 LEU 95 4.245 5.419 -4.881 738 HG LEU 95 HG LEU 95 6.314 6.229 -6.049 739 HD11 LEU 95 HD11 LEU 95 5.992 8.680 -5.877 740 HD12 LEU 95 HD12 LEU 95 6.111 8.567 -4.108 741 HD13 LEU 95 HD13 LEU 95 7.512 8.188 -5.136 742 HD21 LEU 95 HD21 LEU 95 6.587 6.381 -3.049 743 HD22 LEU 95 HD22 LEU 95 6.427 4.869 -3.984 744 HD23 LEU 95 HD23 LEU 95 7.821 5.918 -4.242 745 H GLN 96 H GLN 96 5.126 8.195 -7.831 746 HA GLN 96 HA GLN 96 4.638 6.615 -10.169 747 HB2 GLN 96 HB2 GLN 96 7.030 8.409 -9.636 748 HB3 GLN 96 HB3 GLN 96 6.326 7.995 -11.197 749 HG2 GLN 96 HG2 GLN 96 4.990 9.747 -9.069 750 HG3 GLN 96 HG3 GLN 96 5.872 10.329 -10.459 751 HE21 GLN 96 HE21 GLN 96 2.783 8.785 -9.422 752 HE22 GLN 96 HE22 GLN 96 2.042 9.120 -10.975 753 H ARG 97 H ARG 97 6.184 5.363 -11.393 754 HA ARG 97 HA ARG 97 8.649 4.342 -10.277 755 HB2 ARG 97 HB2 ARG 97 7.929 1.954 -10.580 756 HB3 ARG 97 HB3 ARG 97 7.273 2.742 -9.147 757 HG2 ARG 97 HG2 ARG 97 5.077 2.922 -10.099 758 HG3 ARG 97 HG3 ARG 97 5.667 2.530 -11.724 759 HD2 ARG 97 HD2 ARG 97 6.209 0.264 -11.071 760 HD3 ARG 97 HD3 ARG 97 5.832 0.605 -9.381 761 HE ARG 97 HE ARG 97 3.629 0.221 -9.797 762 HH11 ARG 97 HH11 ARG 97 4.946 1.154 -12.900 763 HH12 ARG 97 HH12 ARG 97 3.597 0.503 -13.787 764 HH21 ARG 97 HH21 ARG 97 1.952 -0.638 -10.970 765 HH22 ARG 97 HH22 ARG 97 1.954 -0.555 -12.699 Start of MODEL 2 1 H1 GLY -6 H1 GLY -6 14.425 -18.942 -14.311 2 H2 GLY -6 H2 GLY -6 15.599 -18.108 -13.534 3 H3 GLY -6 H3 GLY -6 15.408 -19.710 -13.248 4 HA2 GLY -6 HA2 GLY -6 13.249 -19.343 -12.253 5 HA3 GLY -6 HA3 GLY -6 14.527 -18.457 -11.403 6 H SER -5 H SER -5 11.782 -17.770 -11.271 7 HA SER -5 HA SER -5 11.199 -15.533 -13.057 8 HB2 SER -5 HB2 SER -5 9.166 -15.343 -11.675 9 HB3 SER -5 HB3 SER -5 9.433 -17.005 -12.232 10 HG SER -5 HG SER -5 8.906 -16.915 -9.992 11 H SER -4 H SER -4 12.794 -15.841 -9.992 12 HA SER -4 HA SER -4 13.499 -14.464 -8.371 13 HB2 SER -4 HB2 SER -4 13.534 -12.312 -10.502 14 HB3 SER -4 HB3 SER -4 14.375 -12.264 -8.943 15 HG SER -4 HG SER -4 15.740 -12.984 -10.647 16 H GLY -3 H GLY -3 10.479 -14.539 -8.972 17 HA2 GLY -3 HA2 GLY -3 9.460 -13.489 -6.681 18 HA3 GLY -3 HA3 GLY -3 9.448 -12.078 -7.741 19 H SER -2 H SER -2 7.165 -13.487 -6.564 20 HA SER -2 HA SER -2 5.860 -15.239 -8.326 21 HB2 SER -2 HB2 SER -2 4.571 -13.261 -6.408 22 HB3 SER -2 HB3 SER -2 3.842 -14.748 -7.053 23 HG SER -2 HG SER -2 4.735 -15.056 -4.951 24 H SER -1 H SER -1 5.952 -11.699 -8.471 25 HA SER -1 HA SER -1 3.830 -11.311 -10.382 26 HB2 SER -1 HB2 SER -1 4.993 -9.137 -10.783 27 HB3 SER -1 HB3 SER -1 4.643 -9.465 -9.076 28 HG SER -1 HG SER -1 6.802 -8.700 -9.417 29 H GLY 0 H GLY 0 7.128 -12.490 -10.735 30 HA2 GLY 0 HA2 GLY 0 7.390 -12.066 -13.592 31 HA3 GLY 0 HA3 GLY 0 8.347 -13.144 -12.568 32 H MET 1 H MET 1 5.765 -14.528 -11.642 33 HA MET 1 HA MET 1 5.525 -16.466 -13.832 34 HB2 MET 1 HB2 MET 1 5.595 -17.111 -11.419 35 HB3 MET 1 HB3 MET 1 4.049 -16.294 -11.174 36 HG2 MET 1 HG2 MET 1 3.688 -18.664 -11.397 37 HG3 MET 1 HG3 MET 1 2.969 -17.838 -12.773 38 HE1 MET 1 HE1 MET 1 3.338 -20.952 -12.682 39 HE2 MET 1 HE2 MET 1 2.679 -20.079 -14.086 40 HE3 MET 1 HE3 MET 1 3.972 -21.279 -14.311 41 H ALA 2 H ALA 2 3.491 -13.916 -12.384 42 HA ALA 2 HA ALA 2 1.274 -14.366 -14.246 43 HB1 ALA 2 HB1 ALA 2 0.909 -13.650 -11.911 44 HB2 ALA 2 HB2 ALA 2 1.822 -12.155 -12.220 45 HB3 ALA 2 HB3 ALA 2 0.283 -12.449 -13.055 46 H GLU 3 H GLU 3 4.198 -12.643 -14.382 47 HA GLU 3 HA GLU 3 5.158 -11.069 -15.636 48 HB2 GLU 3 HB2 GLU 3 3.130 -11.781 -17.777 49 HB3 GLU 3 HB3 GLU 3 4.618 -10.859 -18.007 50 HG2 GLU 3 HG2 GLU 3 5.947 -12.812 -17.205 51 HG3 GLU 3 HG3 GLU 3 4.460 -13.763 -17.104 52 H ALA 4 H ALA 4 2.768 -10.326 -13.926 53 HA ALA 4 HA ALA 4 2.705 -7.483 -14.589 54 HB1 ALA 4 HB1 ALA 4 0.897 -8.362 -16.042 55 HB2 ALA 4 HB2 ALA 4 0.142 -9.151 -14.641 56 HB3 ALA 4 HB3 ALA 4 0.226 -7.378 -14.732 57 H ALA 5 H ALA 5 1.822 -6.186 -12.924 58 HA ALA 5 HA ALA 5 0.624 -7.293 -10.531 59 HB1 ALA 5 HB1 ALA 5 2.998 -7.622 -9.945 60 HB2 ALA 5 HB2 ALA 5 3.355 -5.926 -10.338 61 HB3 ALA 5 HB3 ALA 5 2.301 -6.323 -8.963 62 H ALA 6 H ALA 6 -0.295 -5.597 -9.174 63 HA ALA 6 HA ALA 6 -1.372 -3.350 -10.532 64 HB1 ALA 6 HB1 ALA 6 -2.398 -4.458 -8.575 65 HB2 ALA 6 HB2 ALA 6 -1.079 -3.858 -7.540 66 HB3 ALA 6 HB3 ALA 6 -2.198 -2.719 -8.316 67 HA PRO 7 HA PRO 7 1.924 -0.517 -10.645 68 HB2 PRO 7 HB2 PRO 7 0.740 1.975 -10.451 69 HB3 PRO 7 HB3 PRO 7 0.632 0.908 -11.882 70 HG2 PRO 7 HG2 PRO 7 -1.373 1.202 -9.624 71 HG3 PRO 7 HG3 PRO 7 -1.683 1.222 -11.391 72 HD2 PRO 7 HD2 PRO 7 -2.060 -1.029 -9.944 73 HD3 PRO 7 HD3 PRO 7 -1.318 -1.119 -11.570 74 H TRP 8 H TRP 8 -0.226 -0.030 -7.861 75 HA TRP 8 HA TRP 8 1.758 1.322 -6.202 76 HB2 TRP 8 HB2 TRP 8 -0.059 0.715 -4.423 77 HB3 TRP 8 HB3 TRP 8 -0.363 1.940 -5.614 78 HD1 TRP 8 HD1 TRP 8 -2.319 1.600 -7.293 79 HE1 TRP 8 HE1 TRP 8 -4.183 -0.144 -7.579 80 HE3 TRP 8 HE3 TRP 8 -0.591 -1.977 -4.071 81 HZ2 TRP 8 HZ2 TRP 8 -4.883 -2.702 -6.488 82 HZ3 TRP 8 HZ3 TRP 8 -1.906 -4.059 -3.681 83 HH2 TRP 8 HH2 TRP 8 -4.033 -4.439 -4.912 84 H TYR 9 H TYR 9 1.487 -1.998 -7.085 85 HA TYR 9 HA TYR 9 2.452 -2.951 -4.463 86 HB2 TYR 9 HB2 TYR 9 0.793 -4.256 -5.749 87 HB3 TYR 9 HB3 TYR 9 1.994 -4.508 -7.013 88 HD1 TYR 9 HD1 TYR 9 1.385 -4.985 -3.341 89 HD2 TYR 9 HD2 TYR 9 3.530 -6.336 -6.831 90 HE1 TYR 9 HE1 TYR 9 2.297 -6.892 -2.034 91 HE2 TYR 9 HE2 TYR 9 4.412 -8.271 -5.529 92 HH TYR 9 HH TYR 9 3.663 -8.736 -2.061 93 H HIS 10 H HIS 10 4.490 -3.284 -3.938 94 HA HIS 10 HA HIS 10 6.654 -3.034 -5.998 95 HB2 HIS 10 HB2 HIS 10 6.350 -1.839 -3.235 96 HB3 HIS 10 HB3 HIS 10 7.938 -2.058 -3.954 97 HD1 HIS 10 HD1 HIS 10 8.751 -0.217 -5.590 98 HD2 HIS 10 HD2 HIS 10 4.620 -0.201 -4.831 99 HE1 HIS 10 HE1 HIS 10 7.822 1.870 -6.729 100 H GLY 11 H GLY 11 5.333 -5.449 -4.193 101 HA2 GLY 11 HA2 GLY 11 6.146 -7.567 -3.683 102 HA3 GLY 11 HA3 GLY 11 7.575 -7.141 -4.591 103 HA PRO 12 HA PRO 12 8.983 -7.781 -0.293 104 HB2 PRO 12 HB2 PRO 12 11.450 -8.805 -0.733 105 HB3 PRO 12 HB3 PRO 12 9.964 -9.695 -1.160 106 HG2 PRO 12 HG2 PRO 12 11.657 -7.963 -2.999 107 HG3 PRO 12 HG3 PRO 12 11.138 -9.661 -3.257 108 HD2 PRO 12 HD2 PRO 12 9.756 -7.541 -4.286 109 HD3 PRO 12 HD3 PRO 12 8.921 -9.015 -3.709 110 H LEU 13 H LEU 13 8.756 -5.192 -0.922 111 HA LEU 13 HA LEU 13 11.261 -3.724 -0.561 112 HB2 LEU 13 HB2 LEU 13 9.014 -2.979 -1.734 113 HB3 LEU 13 HB3 LEU 13 8.469 -2.655 -0.094 114 HG LEU 13 HG LEU 13 10.462 -1.102 0.175 115 HD11 LEU 13 HD11 LEU 13 11.908 -1.892 -1.646 116 HD12 LEU 13 HD12 LEU 13 10.630 -1.570 -2.840 117 HD13 LEU 13 HD13 LEU 13 11.414 -0.228 -1.992 118 HD21 LEU 13 HD21 LEU 13 8.477 -0.447 -2.036 119 HD22 LEU 13 HD22 LEU 13 8.181 -0.290 -0.290 120 HD23 LEU 13 HD23 LEU 13 9.405 0.721 -1.070 121 H SER 14 H SER 14 11.857 -2.578 1.355 122 HA SER 14 HA SER 14 10.762 -3.640 3.933 123 HB2 SER 14 HB2 SER 14 13.470 -2.427 3.284 124 HB3 SER 14 HB3 SER 14 12.929 -2.930 4.897 125 HG SER 14 HG SER 14 14.162 -4.557 3.808 126 H ARG 15 H ARG 15 10.724 -2.120 5.779 127 HA ARG 15 HA ARG 15 9.204 0.226 5.328 128 HB2 ARG 15 HB2 ARG 15 10.954 -0.625 7.673 129 HB3 ARG 15 HB3 ARG 15 10.030 0.882 7.680 130 HG2 ARG 15 HG2 ARG 15 7.932 -0.318 7.363 131 HG3 ARG 15 HG3 ARG 15 8.798 -1.866 7.291 132 HD2 ARG 15 HD2 ARG 15 9.613 -1.554 9.587 133 HD3 ARG 15 HD3 ARG 15 8.861 0.035 9.674 134 HE ARG 15 HE ARG 15 7.457 -2.612 9.593 135 HH11 ARG 15 HH11 ARG 15 7.239 0.803 10.342 136 HH12 ARG 15 HH12 ARG 15 5.711 0.613 11.160 137 HH21 ARG 15 HH21 ARG 15 5.478 -2.762 10.581 138 HH22 ARG 15 HH22 ARG 15 4.727 -1.344 11.243 139 H THR 16 H THR 16 12.734 0.087 5.960 140 HA THR 16 HA THR 16 13.238 2.835 5.839 141 HB THR 16 HB THR 16 15.140 0.712 4.779 142 HG1 THR 16 HG1 THR 16 15.747 0.447 6.938 143 HG21 THR 16 HG21 THR 16 15.989 3.016 4.582 144 HG22 THR 16 HG22 THR 16 15.586 3.332 6.285 145 HG23 THR 16 HG23 THR 16 16.858 2.162 5.862 146 H ASP 17 H ASP 17 13.016 0.553 3.100 147 HA ASP 17 HA ASP 17 13.794 2.499 1.072 148 HB2 ASP 17 HB2 ASP 17 12.483 -0.242 0.972 149 HB3 ASP 17 HB3 ASP 17 12.847 0.707 -0.461 150 H ALA 18 H ALA 18 10.662 1.265 2.328 151 HA ALA 18 HA ALA 18 8.989 2.777 0.567 152 HB1 ALA 18 HB1 ALA 18 8.197 0.859 1.898 153 HB2 ALA 18 HB2 ALA 18 8.500 1.750 3.402 154 HB3 ALA 18 HB3 ALA 18 7.248 2.313 2.283 155 H GLU 19 H GLU 19 10.342 3.576 3.797 156 HA GLU 19 HA GLU 19 9.198 6.177 4.047 157 HB2 GLU 19 HB2 GLU 19 11.730 4.965 5.190 158 HB3 GLU 19 HB3 GLU 19 11.179 6.592 5.582 159 HG2 GLU 19 HG2 GLU 19 9.076 5.723 6.482 160 HG3 GLU 19 HG3 GLU 19 9.540 4.077 6.083 161 H ASN 20 H ASN 20 12.427 5.225 2.714 162 HA ASN 20 HA ASN 20 13.153 7.926 2.021 163 HB2 ASN 20 HB2 ASN 20 14.170 5.178 1.231 164 HB3 ASN 20 HB3 ASN 20 14.739 6.612 0.386 165 HD21 ASN 20 HD22 ASN 20 14.683 5.025 3.558 166 HD22 ASN 20 HD21 ASN 20 15.980 6.022 4.225 167 H SER 21 H SER 21 11.265 5.495 0.238 168 HA SER 21 HA SER 21 11.209 6.982 -2.247 169 HB2 SER 21 HB2 SER 21 9.237 4.920 -1.184 170 HB3 SER 21 HB3 SER 21 9.333 5.539 -2.843 171 HG SER 21 HG SER 21 11.253 4.001 -1.417 172 H LEU 22 H LEU 22 8.857 6.776 0.491 173 HA LEU 22 HA LEU 22 7.069 8.667 -0.817 174 HB2 LEU 22 HB2 LEU 22 7.052 6.977 1.644 175 HB3 LEU 22 HB3 LEU 22 6.032 8.396 1.652 176 HG LEU 22 HG LEU 22 4.764 7.701 -0.218 177 HD11 LEU 22 HD11 LEU 22 6.389 6.686 -1.710 178 HD12 LEU 22 HD12 LEU 22 6.697 5.379 -0.541 179 HD13 LEU 22 HD13 LEU 22 5.119 5.504 -1.359 180 HD21 LEU 22 HD21 LEU 22 5.285 5.276 1.558 181 HD22 LEU 22 HD22 LEU 22 4.351 6.711 2.027 182 HD23 LEU 22 HD23 LEU 22 3.780 5.677 0.697 183 H LEU 23 H LEU 23 9.560 9.068 1.686 184 HA LEU 23 HA LEU 23 8.764 11.685 2.518 185 HB2 LEU 23 HB2 LEU 23 10.385 10.212 3.676 186 HB3 LEU 23 HB3 LEU 23 11.517 10.393 2.335 187 HG LEU 23 HG LEU 23 11.756 12.810 2.862 188 HD11 LEU 23 HD11 LEU 23 9.568 13.296 3.887 189 HD12 LEU 23 HD12 LEU 23 9.922 12.174 5.222 190 HD13 LEU 23 HD13 LEU 23 10.864 13.669 5.025 191 HD21 LEU 23 HD21 LEU 23 12.166 10.974 5.255 192 HD22 LEU 23 HD22 LEU 23 13.267 11.147 3.870 193 HD23 LEU 23 HD23 LEU 23 12.996 12.519 4.957 194 H ARG 24 H ARG 24 10.306 10.590 -0.413 195 HA ARG 24 HA ARG 24 11.045 13.310 -1.324 196 HB2 ARG 24 HB2 ARG 24 11.277 10.565 -2.627 197 HB3 ARG 24 HB3 ARG 24 11.873 12.070 -3.337 198 HG2 ARG 24 HG2 ARG 24 13.447 12.396 -1.491 199 HG3 ARG 24 HG3 ARG 24 12.821 10.968 -0.653 200 HD2 ARG 24 HD2 ARG 24 13.479 9.568 -2.624 201 HD3 ARG 24 HD3 ARG 24 14.244 11.003 -3.342 202 HE ARG 24 HE ARG 24 15.285 10.726 -0.730 203 HH11 ARG 24 HH11 ARG 24 15.424 8.868 -3.694 204 HH12 ARG 24 HH12 ARG 24 16.932 8.110 -3.258 205 HH21 ARG 24 HH21 ARG 24 17.195 9.708 -0.223 206 HH22 ARG 24 HH22 ARG 24 17.909 8.589 -1.346 207 H MET 25 H MET 25 8.204 11.458 -1.391 208 HA MET 25 HA MET 25 7.228 12.590 -3.955 209 HB2 MET 25 HB2 MET 25 6.316 10.317 -2.162 210 HB3 MET 25 HB3 MET 25 5.340 10.905 -3.489 211 HG2 MET 25 HG2 MET 25 8.171 9.947 -3.791 212 HG3 MET 25 HG3 MET 25 6.775 8.929 -4.057 213 HE1 MET 25 HE1 MET 25 5.367 8.873 -6.286 214 HE2 MET 25 HE2 MET 25 4.693 10.423 -5.731 215 HE3 MET 25 HE3 MET 25 5.274 10.252 -7.401 216 HA PRO 26 HA PRO 26 4.273 15.352 -2.031 217 HB2 PRO 26 HB2 PRO 26 2.047 15.076 -3.634 218 HB3 PRO 26 HB3 PRO 26 3.525 15.970 -4.116 219 HG2 PRO 26 HG2 PRO 26 2.749 13.120 -4.789 220 HG3 PRO 26 HG3 PRO 26 3.370 14.388 -5.892 221 HD2 PRO 26 HD2 PRO 26 4.977 12.484 -4.854 222 HD3 PRO 26 HD3 PRO 26 5.582 14.138 -5.061 223 H GLU 27 H GLU 27 2.148 15.406 -0.970 224 HA GLU 27 HA GLU 27 1.663 13.252 0.812 225 HB2 GLU 27 HB2 GLU 27 1.103 15.698 1.128 226 HB3 GLU 27 HB3 GLU 27 -0.227 15.486 -0.012 227 HG2 GLU 27 HG2 GLU 27 -1.114 13.664 1.600 228 HG3 GLU 27 HG3 GLU 27 0.105 14.228 2.742 229 H GLY 28 H GLY 28 0.272 11.609 0.937 230 HA2 GLY 28 HA2 GLY 28 -1.458 10.175 0.408 231 HA3 GLY 28 HA3 GLY 28 -1.957 11.265 -0.886 232 H THR 29 H THR 29 1.366 10.438 -1.069 233 HA THR 29 HA THR 29 0.980 8.615 -3.329 234 HB THR 29 HB THR 29 3.626 9.317 -1.991 235 HG1 THR 29 HG1 THR 29 2.983 11.159 -2.833 236 HG21 THR 29 HG21 THR 29 3.647 7.247 -3.371 237 HG22 THR 29 HG22 THR 29 2.916 8.148 -4.721 238 HG23 THR 29 HG23 THR 29 4.539 8.559 -4.127 239 H PHE 30 H PHE 30 0.798 6.413 -3.111 240 HA PHE 30 HA PHE 30 1.713 5.213 -0.546 241 HB2 PHE 30 HB2 PHE 30 -0.329 4.024 -0.326 242 HB3 PHE 30 HB3 PHE 30 -0.691 5.726 -0.521 243 HD1 PHE 30 HD1 PHE 30 -1.785 6.550 -2.587 244 HD2 PHE 30 HD2 PHE 30 -0.906 2.383 -2.044 245 HE1 PHE 30 HE1 PHE 30 -3.251 5.997 -4.523 246 HE2 PHE 30 HE2 PHE 30 -2.422 1.814 -3.933 247 HZ PHE 30 HZ PHE 30 -3.547 3.619 -5.210 248 H LEU 31 H LEU 31 1.869 2.947 -0.463 249 HA LEU 31 HA LEU 31 2.196 1.475 -2.976 250 HB2 LEU 31 HB2 LEU 31 4.483 0.806 -2.610 251 HB3 LEU 31 HB3 LEU 31 4.373 2.547 -2.675 252 HG LEU 31 HG LEU 31 4.396 2.463 -0.063 253 HD11 LEU 31 HD11 LEU 31 4.186 0.031 0.364 254 HD12 LEU 31 HD12 LEU 31 5.566 -0.292 -0.706 255 HD13 LEU 31 HD13 LEU 31 5.783 0.570 0.833 256 HD21 LEU 31 HD21 LEU 31 6.834 1.659 -1.694 257 HD22 LEU 31 HD22 LEU 31 6.202 3.301 -1.467 258 HD23 LEU 31 HD23 LEU 31 6.848 2.427 -0.087 259 H VAL 32 H VAL 32 2.408 -0.812 -2.657 260 HA VAL 32 HA VAL 32 1.839 -1.795 0.082 261 HB VAL 32 HB VAL 32 0.549 -2.931 -2.405 262 HG11 VAL 32 HG11 VAL 32 0.947 -4.687 -0.727 263 HG12 VAL 32 HG12 VAL 32 0.231 -3.660 0.540 264 HG13 VAL 32 HG13 VAL 32 -0.768 -4.284 -0.783 265 HG21 VAL 32 HG21 VAL 32 -0.623 -1.303 -0.096 266 HG22 VAL 32 HG22 VAL 32 -0.513 -0.797 -1.797 267 HG23 VAL 32 HG23 VAL 32 -1.572 -2.137 -1.350 268 H ARG 33 H ARG 33 2.979 -3.519 0.726 269 HA ARG 33 HA ARG 33 4.899 -4.826 -1.165 270 HB2 ARG 33 HB2 ARG 33 6.736 -4.406 0.375 271 HB3 ARG 33 HB3 ARG 33 5.981 -2.875 -0.073 272 HG2 ARG 33 HG2 ARG 33 4.694 -2.959 2.114 273 HG3 ARG 33 HG3 ARG 33 5.609 -4.415 2.530 274 HD2 ARG 33 HD2 ARG 33 7.718 -2.941 2.195 275 HD3 ARG 33 HD3 ARG 33 6.616 -1.574 2.171 276 HE ARG 33 HE ARG 33 6.200 -1.839 4.452 277 HH11 ARG 33 HH11 ARG 33 8.228 -4.573 3.445 278 HH12 ARG 33 HH12 ARG 33 8.276 -5.186 5.087 279 HH21 ARG 33 HH21 ARG 33 6.396 -2.757 6.501 280 HH22 ARG 33 HH22 ARG 33 7.344 -4.220 6.680 281 H ASP 34 H ASP 34 5.900 -6.759 -0.334 282 HA ASP 34 HA ASP 34 4.163 -8.599 1.092 283 HB2 ASP 34 HB2 ASP 34 5.811 -9.337 -0.558 284 HB3 ASP 34 HB3 ASP 34 7.123 -8.679 0.419 285 H SER 35 H SER 35 4.038 -9.084 3.255 286 HA SER 35 HA SER 35 4.952 -6.988 4.994 287 HB2 SER 35 HB2 SER 35 2.740 -8.039 5.131 288 HB3 SER 35 HB3 SER 35 3.489 -9.538 5.710 289 HG SER 35 HG SER 35 2.674 -8.049 7.347 290 H THR 36 H THR 36 6.392 -6.849 6.563 291 HA THR 36 HA THR 36 8.740 -8.416 6.466 292 HB THR 36 HB THR 36 7.894 -6.618 8.766 293 HG1 THR 36 HG1 THR 36 9.277 -5.159 7.391 294 HG21 THR 36 HG21 THR 36 9.993 -7.904 9.134 295 HG22 THR 36 HG22 THR 36 10.628 -7.302 7.586 296 HG23 THR 36 HG23 THR 36 10.319 -6.180 8.932 297 H SER 37 H SER 37 9.198 -10.341 7.290 298 HA SER 37 HA SER 37 9.033 -12.322 8.353 299 HB2 SER 37 HB2 SER 37 8.572 -10.597 10.802 300 HB3 SER 37 HB3 SER 37 9.162 -12.270 10.784 301 HG SER 37 HG SER 37 10.883 -10.766 10.922 302 H SER 38 H SER 38 6.422 -11.330 7.298 303 HA SER 38 HA SER 38 4.545 -13.030 8.916 304 HB2 SER 38 HB2 SER 38 3.953 -10.338 7.671 305 HB3 SER 38 HB3 SER 38 2.800 -11.376 8.521 306 HG SER 38 HG SER 38 5.132 -10.134 9.592 307 HA PRO 39 HA PRO 39 4.850 -14.430 4.524 308 HB2 PRO 39 HB2 PRO 39 3.923 -16.986 5.841 309 HB3 PRO 39 HB3 PRO 39 5.126 -16.759 4.531 310 HG2 PRO 39 HG2 PRO 39 5.963 -17.172 7.068 311 HG3 PRO 39 HG3 PRO 39 6.746 -15.897 6.077 312 HD2 PRO 39 HD2 PRO 39 4.574 -15.578 8.172 313 HD3 PRO 39 HD3 PRO 39 6.082 -14.642 7.953 314 H GLY 40 H GLY 40 3.294 -14.319 3.008 315 HA2 GLY 40 HA2 GLY 40 1.249 -14.451 1.946 316 HA3 GLY 40 HA3 GLY 40 0.563 -15.259 3.353 317 H ASP 41 H ASP 41 1.884 -12.439 4.558 318 HA ASP 41 HA ASP 41 -0.657 -10.886 4.257 319 HB2 ASP 41 HB2 ASP 41 1.502 -10.679 6.377 320 HB3 ASP 41 HB3 ASP 41 0.043 -9.705 6.289 321 H TYR 42 H TYR 42 -0.394 -8.505 4.240 322 HA TYR 42 HA TYR 42 2.000 -7.582 2.702 323 HB2 TYR 42 HB2 TYR 42 -0.905 -6.930 2.104 324 HB3 TYR 42 HB3 TYR 42 0.492 -6.293 1.258 325 HD1 TYR 42 HD2 TYR 42 2.089 -8.047 0.183 326 HD2 TYR 42 HD1 TYR 42 -1.949 -8.911 1.394 327 HE1 TYR 42 HE2 TYR 42 2.058 -10.051 -1.334 328 HE2 TYR 42 HE1 TYR 42 -1.988 -10.900 -0.117 329 HH TYR 42 HH TYR 42 0.838 -11.813 -2.126 330 H VAL 43 H VAL 43 2.111 -5.146 2.602 331 HA VAL 43 HA VAL 43 0.926 -3.777 4.976 332 HB VAL 43 HB VAL 43 3.861 -3.627 4.202 333 HG11 VAL 43 HG11 VAL 43 3.088 -1.430 5.023 334 HG12 VAL 43 HG12 VAL 43 2.351 -2.210 6.441 335 HG13 VAL 43 HG13 VAL 43 4.108 -2.212 6.230 336 HG21 VAL 43 HG21 VAL 43 2.519 -4.746 6.689 337 HG22 VAL 43 HG22 VAL 43 3.316 -5.676 5.415 338 HG23 VAL 43 HG23 VAL 43 4.275 -4.599 6.432 339 H LEU 44 H LEU 44 0.121 -1.850 4.534 340 HA LEU 44 HA LEU 44 0.538 -0.529 1.898 341 HB2 LEU 44 HB2 LEU 44 -1.786 -0.855 2.573 342 HB3 LEU 44 HB3 LEU 44 -1.466 -0.185 4.152 343 HG LEU 44 HG LEU 44 -1.133 2.049 3.198 344 HD11 LEU 44 HD11 LEU 44 -0.282 1.716 1.013 345 HD12 LEU 44 HD12 LEU 44 -1.716 0.788 0.516 346 HD13 LEU 44 HD13 LEU 44 -1.831 2.530 0.864 347 HD21 LEU 44 HD21 LEU 44 -3.686 0.711 2.188 348 HD22 LEU 44 HD22 LEU 44 -3.407 1.236 3.863 349 HD23 LEU 44 HD23 LEU 44 -3.479 2.431 2.561 350 H SER 45 H SER 45 1.819 1.265 1.806 351 HA SER 45 HA SER 45 2.349 2.754 4.331 352 HB2 SER 45 HB2 SER 45 4.397 2.463 2.122 353 HB3 SER 45 HB3 SER 45 4.599 3.267 3.682 354 HG SER 45 HG SER 45 4.127 0.488 3.236 355 H CYS 46 H CYS 46 2.237 5.016 4.189 356 HA CYS 46 HA CYS 46 1.607 6.216 1.542 357 HB2 CYS 46 HB2 CYS 46 -0.509 5.374 2.632 358 HB3 CYS 46 HB3 CYS 46 -0.214 6.530 3.950 359 HG CYS 46 HG CYS 46 -2.039 7.512 2.353 360 H SER 47 H SER 47 2.069 8.459 1.335 361 HA SER 47 HA SER 47 3.688 9.671 3.446 362 HB2 SER 47 HB2 SER 47 3.912 11.485 1.798 363 HB3 SER 47 HB3 SER 47 4.495 9.922 1.236 364 HG SER 47 HG SER 47 3.157 11.227 -0.253 365 H GLU 48 H GLU 48 2.583 10.312 5.117 366 HA GLU 48 HA GLU 48 0.222 12.152 4.778 367 HB2 GLU 48 HB2 GLU 48 0.496 9.821 6.708 368 HB3 GLU 48 HB3 GLU 48 -0.647 11.120 6.901 369 HG2 GLU 48 HG2 GLU 48 -1.705 10.585 4.734 370 HG3 GLU 48 HG3 GLU 48 -0.567 9.248 4.510 371 H ASN 49 H ASN 49 0.132 13.926 6.066 372 HA ASN 49 HA ASN 49 0.719 15.540 7.506 373 HB2 ASN 49 HB2 ASN 49 -0.325 13.586 8.857 374 HB3 ASN 49 HB3 ASN 49 1.283 13.365 9.534 375 HD21 ASN 49 HD22 ASN 49 2.250 15.517 10.457 376 HD22 ASN 49 HD21 ASN 49 1.102 16.505 11.370 377 H GLY 50 H GLY 50 2.844 14.921 5.791 378 HA2 GLY 50 HA2 GLY 50 5.018 15.637 5.472 379 HA3 GLY 50 HA3 GLY 50 5.029 16.222 7.136 380 H LYS 51 H LYS 51 4.228 12.922 7.028 381 HA LYS 51 HA LYS 51 7.021 11.901 7.231 382 HB2 LYS 51 HB2 LYS 51 6.444 10.626 9.228 383 HB3 LYS 51 HB3 LYS 51 6.228 12.345 9.518 384 HG2 LYS 51 HG2 LYS 51 3.811 12.156 9.332 385 HG3 LYS 51 HG3 LYS 51 3.931 10.458 8.825 386 HD2 LYS 51 HD2 LYS 51 4.877 9.862 11.028 387 HD3 LYS 51 HD3 LYS 51 4.772 11.565 11.536 388 HE2 LYS 51 HE2 LYS 51 2.316 11.522 11.170 389 HE3 LYS 51 HE3 LYS 51 2.412 9.840 10.641 390 HZ1 LYS 51 HZ1 LYS 51 3.192 9.243 12.869 391 HZ2 LYS 51 HZ2 LYS 51 3.143 10.803 13.357 392 HZ3 LYS 51 HZ3 LYS 51 1.757 10.028 12.977 393 H VAL 52 H VAL 52 6.486 9.285 7.714 394 HA VAL 52 HA VAL 52 4.691 8.384 5.498 395 HB VAL 52 HB VAL 52 7.371 7.159 6.208 396 HG11 VAL 52 HG11 VAL 52 5.811 5.438 5.450 397 HG12 VAL 52 HG12 VAL 52 5.292 6.456 4.093 398 HG13 VAL 52 HG13 VAL 52 6.935 5.787 4.138 399 HG21 VAL 52 HG21 VAL 52 6.468 8.869 3.858 400 HG22 VAL 52 HG22 VAL 52 7.776 9.212 5.006 401 HG23 VAL 52 HG23 VAL 52 7.958 7.902 3.847 402 H THR 53 H THR 53 3.214 6.952 6.027 403 HA THR 53 HA THR 53 3.203 5.720 8.748 404 HB THR 53 HB THR 53 0.761 5.506 8.350 405 HG1 THR 53 HG1 THR 53 -0.063 6.907 6.649 406 HG21 THR 53 HG21 THR 53 1.662 7.420 9.622 407 HG22 THR 53 HG22 THR 53 1.816 8.359 8.119 408 HG23 THR 53 HG23 THR 53 0.212 7.867 8.706 409 H HIS 54 H HIS 54 2.284 3.551 8.945 410 HA HIS 54 HA HIS 54 2.440 1.807 6.549 411 HB2 HIS 54 HB2 HIS 54 3.939 1.198 9.116 412 HB3 HIS 54 HB3 HIS 54 3.899 0.227 7.652 413 HD1 HIS 54 HD1 HIS 54 5.277 1.421 5.462 414 HD2 HIS 54 HD2 HIS 54 5.822 2.996 9.327 415 HE1 HIS 54 HE1 HIS 54 7.514 2.641 5.434 416 H TYR 55 H TYR 55 0.975 0.176 6.589 417 HA TYR 55 HA TYR 55 -0.469 -0.553 9.109 418 HB2 TYR 55 HB2 TYR 55 -1.756 0.096 6.422 419 HB3 TYR 55 HB3 TYR 55 -2.576 -0.369 7.915 420 HD1 TYR 55 HD1 TYR 55 -2.437 1.165 9.947 421 HD2 TYR 55 HD2 TYR 55 -1.169 2.370 5.999 422 HE1 TYR 55 HE1 TYR 55 -2.397 3.540 10.685 423 HE2 TYR 55 HE2 TYR 55 -1.160 4.742 6.722 424 HH TYR 55 HH TYR 55 -1.928 5.674 10.125 425 H LYS 56 H LYS 56 -0.754 -2.738 9.346 426 HA LYS 56 HA LYS 56 0.118 -4.532 7.199 427 HB2 LYS 56 HB2 LYS 56 -1.063 -5.245 9.906 428 HB3 LYS 56 HB3 LYS 56 -0.305 -6.347 8.751 429 HG2 LYS 56 HG2 LYS 56 1.820 -4.906 8.953 430 HG3 LYS 56 HG3 LYS 56 1.018 -4.071 10.283 431 HD2 LYS 56 HD2 LYS 56 2.385 -5.673 11.316 432 HD3 LYS 56 HD3 LYS 56 0.757 -6.359 11.414 433 HE2 LYS 56 HE2 LYS 56 1.258 -7.788 9.429 434 HE3 LYS 56 HE3 LYS 56 2.860 -7.041 9.302 435 HZ1 LYS 56 HZ1 LYS 56 3.369 -7.958 11.515 436 HZ2 LYS 56 HZ2 LYS 56 1.918 -8.710 11.570 437 HZ3 LYS 56 HZ3 LYS 56 3.035 -9.144 10.452 438 H LEU 57 H LEU 57 -0.994 -5.563 5.795 439 HA LEU 57 HA LEU 57 -3.984 -5.616 5.792 440 HB2 LEU 57 HB2 LEU 57 -1.877 -5.805 3.622 441 HB3 LEU 57 HB3 LEU 57 -3.545 -6.273 3.341 442 HG LEU 57 HG LEU 57 -3.054 -3.523 4.447 443 HD11 LEU 57 HD11 LEU 57 -1.388 -3.525 2.746 444 HD12 LEU 57 HD12 LEU 57 -2.415 -4.416 1.621 445 HD13 LEU 57 HD13 LEU 57 -2.812 -2.739 2.028 446 HD21 LEU 57 HD21 LEU 57 -4.915 -4.535 2.261 447 HD22 LEU 57 HD22 LEU 57 -5.358 -4.489 3.976 448 HD23 LEU 57 HD23 LEU 57 -4.999 -2.979 3.115 449 H SER 58 H SER 58 -4.555 -7.433 6.812 450 HA SER 58 HA SER 58 -2.785 -9.806 6.899 451 HB2 SER 58 HB2 SER 58 -5.242 -9.028 8.504 452 HB3 SER 58 HB3 SER 58 -4.306 -10.512 8.744 453 HG SER 58 HG SER 58 -3.631 -8.833 10.161 454 H ALA 59 H ALA 59 -3.335 -11.835 6.146 455 HA ALA 59 HA ALA 59 -5.789 -12.076 4.497 456 HB1 ALA 59 HB1 ALA 59 -3.668 -12.823 3.555 457 HB2 ALA 59 HB2 ALA 59 -3.443 -13.962 4.903 458 HB3 ALA 59 HB3 ALA 59 -4.785 -14.188 3.759 459 H GLU 60 H GLU 60 -7.644 -12.833 5.310 460 HA GLU 60 HA GLU 60 -7.597 -15.143 7.183 461 HB2 GLU 60 HB2 GLU 60 -9.303 -12.654 7.620 462 HB3 GLU 60 HB3 GLU 60 -9.611 -14.231 8.350 463 HG2 GLU 60 HG2 GLU 60 -7.207 -14.107 9.282 464 HG3 GLU 60 HG3 GLU 60 -7.243 -12.398 8.837 465 H GLU 61 H GLU 61 -8.816 -16.759 6.436 466 HA GLU 61 HA GLU 61 -10.054 -17.990 4.989 467 HB2 GLU 61 HB2 GLU 61 -12.097 -15.796 5.445 468 HB3 GLU 61 HB3 GLU 61 -12.416 -17.423 4.825 469 HG2 GLU 61 HG2 GLU 61 -11.488 -18.385 6.948 470 HG3 GLU 61 HG3 GLU 61 -11.351 -16.747 7.596 471 H GLY 62 H GLY 62 -8.286 -16.158 3.679 472 HA2 GLY 62 HA2 GLY 62 -7.650 -15.817 1.463 473 HA3 GLY 62 HA3 GLY 62 -9.234 -16.364 0.913 474 H LYS 63 H LYS 63 -9.809 -13.992 3.200 475 HA LYS 63 HA LYS 63 -10.086 -11.798 1.188 476 HB2 LYS 63 HB2 LYS 63 -11.446 -12.352 3.855 477 HB3 LYS 63 HB3 LYS 63 -11.561 -10.807 3.025 478 HG2 LYS 63 HG2 LYS 63 -12.428 -12.018 0.980 479 HG3 LYS 63 HG3 LYS 63 -12.475 -13.504 1.949 480 HD2 LYS 63 HD2 LYS 63 -14.013 -12.377 3.558 481 HD3 LYS 63 HD3 LYS 63 -13.988 -10.918 2.545 482 HE2 LYS 63 HE2 LYS 63 -14.899 -12.223 0.639 483 HE3 LYS 63 HE3 LYS 63 -14.904 -13.685 1.633 484 HZ1 LYS 63 HZ1 LYS 63 -16.514 -12.602 3.109 485 HZ2 LYS 63 HZ2 LYS 63 -16.513 -11.247 2.192 486 HZ3 LYS 63 HZ3 LYS 63 -17.095 -12.645 1.587 487 H ILE 64 H ILE 64 -9.686 -9.637 1.899 488 HA ILE 64 HA ILE 64 -7.113 -9.403 3.394 489 HB ILE 64 HB ILE 64 -8.519 -7.659 1.352 490 HG12 ILE 64 HG12 ILE 64 -7.203 -9.487 0.404 491 HG13 ILE 64 HG13 ILE 64 -6.495 -7.928 0.039 492 HG21 ILE 64 HG21 ILE 64 -7.680 -6.076 2.977 493 HG22 ILE 64 HG22 ILE 64 -6.099 -6.881 3.029 494 HG23 ILE 64 HG23 ILE 64 -6.658 -6.041 1.557 495 HD11 ILE 64 HD11 ILE 64 -4.764 -8.291 1.812 496 HD12 ILE 64 HD12 ILE 64 -5.446 -9.911 2.102 497 HD13 ILE 64 HD13 ILE 64 -4.738 -9.513 0.532 498 H ARG 65 H ARG 65 -7.207 -8.869 5.401 499 HA ARG 65 HA ARG 65 -9.339 -7.059 6.451 500 HB2 ARG 65 HB2 ARG 65 -9.255 -9.168 7.620 501 HB3 ARG 65 HB3 ARG 65 -7.502 -9.063 7.817 502 HG2 ARG 65 HG2 ARG 65 -7.699 -7.177 9.332 503 HG3 ARG 65 HG3 ARG 65 -9.455 -7.060 9.034 504 HD2 ARG 65 HD2 ARG 65 -9.765 -9.274 10.012 505 HD3 ARG 65 HD3 ARG 65 -8.003 -9.401 10.274 506 HE ARG 65 HE ARG 65 -8.990 -7.001 11.495 507 HH11 ARG 65 HH11 ARG 65 -9.005 -10.474 12.055 508 HH12 ARG 65 HH12 ARG 65 -9.187 -10.259 13.787 509 HH21 ARG 65 HH21 ARG 65 -9.150 -6.795 13.603 510 HH22 ARG 65 HH22 ARG 65 -9.268 -8.184 14.666 511 H ILE 66 H ILE 66 -8.793 -5.271 7.611 512 HA ILE 66 HA ILE 66 -6.029 -4.644 8.233 513 HB ILE 66 HB ILE 66 -5.901 -3.838 6.059 514 HG12 ILE 66 HG12 ILE 66 -6.335 -1.333 7.694 515 HG13 ILE 66 HG13 ILE 66 -4.994 -2.438 7.991 516 HG21 ILE 66 HG21 ILE 66 -8.336 -3.582 5.527 517 HG22 ILE 66 HG22 ILE 66 -8.327 -2.046 6.423 518 HG23 ILE 66 HG23 ILE 66 -7.341 -2.258 4.959 519 HD11 ILE 66 HD11 ILE 66 -4.097 -2.092 5.772 520 HD12 ILE 66 HD12 ILE 66 -5.484 -1.096 5.294 521 HD13 ILE 66 HD13 ILE 66 -4.375 -0.511 6.531 522 H ASP 67 H ASP 67 -6.079 -4.053 10.229 523 HA ASP 67 HA ASP 67 -6.858 -3.680 12.288 524 HB2 ASP 67 HB2 ASP 67 -6.563 -1.358 11.506 525 HB3 ASP 67 HB3 ASP 67 -8.266 -1.286 11.074 526 H THR 68 H THR 68 -9.948 -2.301 11.468 527 HA THR 68 HA THR 68 -11.352 -4.827 12.240 528 HB THR 68 HB THR 68 -13.221 -3.340 12.916 529 HG1 THR 68 HG1 THR 68 -12.772 -1.132 13.114 530 HG21 THR 68 HG21 THR 68 -11.550 -4.105 14.590 531 HG22 THR 68 HG22 THR 68 -10.597 -2.633 14.299 532 HG23 THR 68 HG23 THR 68 -12.234 -2.519 14.981 533 H HIS 69 H HIS 69 -10.613 -3.216 9.450 534 HA HIS 69 HA HIS 69 -13.256 -3.444 8.156 535 HB2 HIS 69 HB2 HIS 69 -10.623 -2.412 7.055 536 HB3 HIS 69 HB3 HIS 69 -12.213 -2.289 6.310 537 HD1 HIS 69 HD1 HIS 69 -13.788 -0.295 7.181 538 HD2 HIS 69 HD2 HIS 69 -10.067 -0.714 9.106 539 HE1 HIS 69 HE1 HIS 69 -13.459 1.817 8.570 540 H LEU 70 H LEU 70 -13.558 -4.729 6.375 541 HA LEU 70 HA LEU 70 -11.550 -6.809 5.682 542 HB2 LEU 70 HB2 LEU 70 -13.125 -7.647 7.477 543 HB3 LEU 70 HB3 LEU 70 -14.459 -7.381 6.357 544 HG LEU 70 HG LEU 70 -13.335 -9.038 4.766 545 HD11 LEU 70 HD11 LEU 70 -11.039 -8.986 5.694 546 HD12 LEU 70 HD12 LEU 70 -11.640 -9.609 7.242 547 HD13 LEU 70 HD13 LEU 70 -11.706 -10.616 5.780 548 HD21 LEU 70 HD21 LEU 70 -14.097 -10.048 7.537 549 HD22 LEU 70 HD22 LEU 70 -15.224 -9.672 6.214 550 HD23 LEU 70 HD23 LEU 70 -14.075 -11.009 6.040 551 H PHE 71 H PHE 71 -11.432 -7.288 3.597 552 HA PHE 71 HA PHE 71 -13.471 -6.344 1.636 553 HB2 PHE 71 HB2 PHE 71 -10.460 -5.902 1.488 554 HB3 PHE 71 HB3 PHE 71 -11.655 -5.408 0.300 555 HD1 PHE 71 HD1 PHE 71 -13.435 -3.661 1.015 556 HD2 PHE 71 HD2 PHE 71 -9.901 -4.511 3.338 557 HE1 PHE 71 HE1 PHE 71 -13.748 -1.543 2.274 558 HE2 PHE 71 HE2 PHE 71 -10.191 -2.359 4.553 559 HZ PHE 71 HZ PHE 71 -12.126 -0.899 4.047 560 H ASP 72 H ASP 72 -13.319 -7.338 -0.458 561 HA ASP 72 HA ASP 72 -12.685 -10.118 -0.438 562 HB2 ASP 72 HB2 ASP 72 -14.417 -9.145 -1.857 563 HB3 ASP 72 HB3 ASP 72 -13.228 -8.152 -2.697 564 H ASN 73 H ASN 73 -10.811 -7.314 -1.524 565 HA ASN 73 HA ASN 73 -8.364 -8.888 -1.914 566 HB2 ASN 73 HB2 ASN 73 -8.141 -8.209 -4.296 567 HB3 ASN 73 HB3 ASN 73 -9.537 -9.245 -4.041 568 HD21 ASN 73 HD22 ASN 73 -11.579 -8.468 -4.665 569 HD22 ASN 73 HD21 ASN 73 -11.808 -6.814 -5.241 570 H LEU 74 H LEU 74 -6.570 -7.418 -2.790 571 HA LEU 74 HA LEU 74 -6.181 -5.254 -0.975 572 HB2 LEU 74 HB2 LEU 74 -4.720 -6.148 -3.483 573 HB3 LEU 74 HB3 LEU 74 -4.187 -4.788 -2.497 574 HG LEU 74 HG LEU 74 -4.410 -7.662 -1.525 575 HD11 LEU 74 HD11 LEU 74 -2.557 -7.265 -3.117 576 HD12 LEU 74 HD12 LEU 74 -1.998 -5.906 -2.112 577 HD13 LEU 74 HD13 LEU 74 -1.958 -7.560 -1.474 578 HD21 LEU 74 HD21 LEU 74 -3.423 -5.111 -0.192 579 HD22 LEU 74 HD22 LEU 74 -4.740 -6.159 0.368 580 HD23 LEU 74 HD23 LEU 74 -3.080 -6.743 0.434 581 H ASP 75 H ASP 75 -7.125 -5.174 -4.449 582 HA ASP 75 HA ASP 75 -6.823 -2.340 -4.748 583 HB2 ASP 75 HB2 ASP 75 -6.920 -3.984 -6.608 584 HB3 ASP 75 HB3 ASP 75 -8.621 -4.271 -6.263 585 H ALA 76 H ALA 76 -9.604 -4.315 -3.687 586 HA ALA 76 HA ALA 76 -11.469 -2.148 -3.412 587 HB1 ALA 76 HB1 ALA 76 -12.148 -4.501 -3.521 588 HB2 ALA 76 HB2 ALA 76 -11.297 -4.843 -1.999 589 HB3 ALA 76 HB3 ALA 76 -12.710 -3.766 -2.007 590 H ALA 77 H ALA 77 -9.057 -3.509 -1.115 591 HA ALA 77 HA ALA 77 -9.817 -1.852 1.108 592 HB1 ALA 77 HB1 ALA 77 -8.492 -3.966 1.251 593 HB2 ALA 77 HB2 ALA 77 -7.120 -3.138 0.487 594 HB3 ALA 77 HB3 ALA 77 -7.708 -2.599 2.072 595 H ILE 78 H ILE 78 -7.370 -1.396 -1.483 596 HA ILE 78 HA ILE 78 -6.432 1.196 -0.678 597 HB ILE 78 HB ILE 78 -6.646 -0.184 -3.378 598 HG12 ILE 78 HG12 ILE 78 -5.091 -1.305 -1.885 599 HG13 ILE 78 HG13 ILE 78 -4.239 -0.535 -3.204 600 HG21 ILE 78 HG21 ILE 78 -6.591 2.177 -3.890 601 HG22 ILE 78 HG22 ILE 78 -5.214 2.427 -2.798 602 HG23 ILE 78 HG23 ILE 78 -5.030 1.454 -4.269 603 HD11 ILE 78 HD11 ILE 78 -3.541 1.294 -1.649 604 HD12 ILE 78 HD12 ILE 78 -4.399 0.467 -0.325 605 HD13 ILE 78 HD13 ILE 78 -3.027 -0.309 -1.118 606 H THR 79 H THR 79 -9.014 0.314 -2.951 607 HA THR 79 HA THR 79 -9.940 2.909 -3.563 608 HB THR 79 HB THR 79 -11.581 0.347 -3.458 609 HG1 THR 79 HG1 THR 79 -9.911 0.093 -4.844 610 HG21 THR 79 HG21 THR 79 -13.093 2.262 -3.677 611 HG22 THR 79 HG22 THR 79 -12.058 2.976 -4.935 612 HG23 THR 79 HG23 THR 79 -12.936 1.460 -5.244 613 H PHE 80 H PHE 80 -10.990 0.814 -0.809 614 HA PHE 80 HA PHE 80 -12.992 2.554 0.200 615 HB2 PHE 80 HB2 PHE 80 -12.634 0.275 0.995 616 HB3 PHE 80 HB3 PHE 80 -11.070 0.713 1.669 617 HD1 PHE 80 HD2 PHE 80 -14.750 1.158 2.022 618 HD2 PHE 80 HD1 PHE 80 -10.883 1.904 3.782 619 HE1 PHE 80 HE2 PHE 80 -15.845 1.848 4.143 620 HE2 PHE 80 HE1 PHE 80 -11.981 2.597 5.898 621 HZ PHE 80 HZ PHE 80 -14.464 2.578 6.079 622 H TYR 81 H TYR 81 -9.441 2.598 0.806 623 HA TYR 81 HA TYR 81 -9.677 5.058 2.365 624 HB2 TYR 81 HB2 TYR 81 -7.256 3.478 1.511 625 HB3 TYR 81 HB3 TYR 81 -7.220 4.911 2.541 626 HD1 TYR 81 HD1 TYR 81 -9.109 4.789 4.547 627 HD2 TYR 81 HD2 TYR 81 -7.045 1.468 2.717 628 HE1 TYR 81 HE1 TYR 81 -9.458 3.441 6.605 629 HE2 TYR 81 HE2 TYR 81 -7.411 0.119 4.779 630 HH TYR 81 HH TYR 81 -9.123 1.426 7.636 631 H MET 82 H MET 82 -10.061 4.733 -0.830 632 HA MET 82 HA MET 82 -8.858 7.407 -1.459 633 HB2 MET 82 HB2 MET 82 -10.217 5.343 -3.239 634 HB3 MET 82 HB3 MET 82 -9.777 6.970 -3.750 635 HG2 MET 82 HG2 MET 82 -7.436 6.554 -3.315 636 HG3 MET 82 HG3 MET 82 -7.787 4.943 -2.684 637 HE1 MET 82 HE1 MET 82 -5.749 6.015 -5.151 638 HE2 MET 82 HE2 MET 82 -5.718 4.438 -4.334 639 HE3 MET 82 HE3 MET 82 -5.821 4.518 -6.110 640 H GLU 83 H GLU 83 -11.951 5.640 -1.150 641 HA GLU 83 HA GLU 83 -13.644 7.980 -1.508 642 HB2 GLU 83 HB2 GLU 83 -14.131 5.218 -0.319 643 HB3 GLU 83 HB3 GLU 83 -15.395 6.421 -0.557 644 HG2 GLU 83 HG2 GLU 83 -13.695 5.243 -2.802 645 HG3 GLU 83 HG3 GLU 83 -15.295 4.682 -2.343 646 H HIS 84 H HIS 84 -12.081 6.489 1.283 647 HA HIS 84 HA HIS 84 -13.129 8.643 3.076 648 HB2 HIS 84 HB2 HIS 84 -12.558 5.745 3.810 649 HB3 HIS 84 HB3 HIS 84 -13.182 6.998 4.879 650 HD1 HIS 84 HD1 HIS 84 -15.779 7.909 4.154 651 HD2 HIS 84 HD2 HIS 84 -14.320 4.338 2.475 652 HE1 HIS 84 HE1 HIS 84 -17.805 6.690 3.202 653 H GLU 85 H GLU 85 -11.702 9.154 4.919 654 HA GLU 85 HA GLU 85 -8.865 9.202 4.163 655 HB2 GLU 85 HB2 GLU 85 -10.292 10.209 6.645 656 HB3 GLU 85 HB3 GLU 85 -8.577 10.453 6.279 657 HG2 GLU 85 HG2 GLU 85 -9.161 11.672 4.214 658 HG3 GLU 85 HG3 GLU 85 -10.881 11.448 4.538 659 H LEU 86 H LEU 86 -7.142 8.221 5.228 660 HA LEU 86 HA LEU 86 -7.748 5.603 6.393 661 HB2 LEU 86 HB2 LEU 86 -6.049 6.198 4.553 662 HB3 LEU 86 HB3 LEU 86 -5.015 6.807 5.828 663 HG LEU 86 HG LEU 86 -6.074 3.965 5.545 664 HD11 LEU 86 HD11 LEU 86 -4.383 4.578 3.879 665 HD12 LEU 86 HD12 LEU 86 -3.287 5.125 5.169 666 HD13 LEU 86 HD13 LEU 86 -3.727 3.409 5.036 667 HD21 LEU 86 HD21 LEU 86 -4.206 5.127 7.629 668 HD22 LEU 86 HD22 LEU 86 -5.758 4.294 7.901 669 HD23 LEU 86 HD23 LEU 86 -4.378 3.387 7.305 670 H GLU 87 H GLU 87 -5.468 8.173 7.341 671 HA GLU 87 HA GLU 87 -6.351 7.957 10.194 672 HB2 GLU 87 HB2 GLU 87 -4.372 6.473 9.823 673 HB3 GLU 87 HB3 GLU 87 -3.460 7.874 9.256 674 HG2 GLU 87 HG2 GLU 87 -2.812 7.485 11.508 675 HG3 GLU 87 HG3 GLU 87 -3.797 8.937 11.527 676 H TYR 88 H TYR 88 -4.144 9.755 7.982 677 HA TYR 88 HA TYR 88 -4.917 12.323 9.325 678 HB2 TYR 88 HB2 TYR 88 -2.520 11.598 7.648 679 HB3 TYR 88 HB3 TYR 88 -2.783 13.150 8.380 680 HD1 TYR 88 HD1 TYR 88 -2.777 13.375 10.913 681 HD2 TYR 88 HD2 TYR 88 -1.516 9.777 8.893 682 HE1 TYR 88 HE1 TYR 88 -1.570 12.647 12.963 683 HE2 TYR 88 HE2 TYR 88 -0.301 9.055 10.945 684 HH TYR 88 HH TYR 88 -0.324 11.010 13.951 685 H SER 89 H SER 89 -4.572 10.654 6.185 686 HA SER 89 HA SER 89 -6.676 12.344 5.059 687 HB2 SER 89 HB2 SER 89 -4.342 13.487 4.655 688 HB3 SER 89 HB3 SER 89 -4.109 12.204 3.456 689 HG SER 89 HG SER 89 -6.237 14.116 3.619 690 H SER 90 H SER 90 -6.693 11.647 2.479 691 HA SER 90 HA SER 90 -7.195 8.723 2.451 692 HB2 SER 90 HB2 SER 90 -8.269 9.236 0.269 693 HB3 SER 90 HB3 SER 90 -8.957 10.144 1.624 694 HG SER 90 HG SER 90 -8.566 11.478 -0.210 695 H LEU 91 H LEU 91 -6.647 7.571 0.415 696 HA LEU 91 HA LEU 91 -3.832 7.834 -0.416 697 HB2 LEU 91 HB2 LEU 91 -6.067 6.022 -1.426 698 HB3 LEU 91 HB3 LEU 91 -4.361 5.871 -1.802 699 HG LEU 91 HG LEU 91 -5.713 5.371 0.870 700 HD11 LEU 91 HD11 LEU 91 -5.914 3.604 -0.886 701 HD12 LEU 91 HD12 LEU 91 -4.146 3.538 -0.986 702 HD13 LEU 91 HD13 LEU 91 -4.977 3.064 0.510 703 HD21 LEU 91 HD21 LEU 91 -2.758 5.285 0.211 704 HD22 LEU 91 HD22 LEU 91 -3.556 6.358 1.383 705 HD23 LEU 91 HD23 LEU 91 -3.485 4.619 1.681 706 H LYS 92 H LYS 92 -3.148 8.821 -2.300 707 HA LYS 92 HA LYS 92 -5.262 10.101 -4.020 708 HB2 LYS 92 HB2 LYS 92 -2.703 11.394 -3.031 709 HB3 LYS 92 HB3 LYS 92 -3.967 12.137 -4.022 710 HG2 LYS 92 HG2 LYS 92 -5.620 11.716 -2.175 711 HG3 LYS 92 HG3 LYS 92 -4.296 11.089 -1.188 712 HD2 LYS 92 HD2 LYS 92 -3.176 13.334 -1.323 713 HD3 LYS 92 HD3 LYS 92 -4.647 13.943 -2.130 714 HE2 LYS 92 HE2 LYS 92 -6.002 13.050 -0.199 715 HE3 LYS 92 HE3 LYS 92 -4.513 12.547 0.594 716 HZ1 LYS 92 HZ1 LYS 92 -3.856 14.910 0.732 717 HZ2 LYS 92 HZ2 LYS 92 -5.256 15.360 -0.010 718 HZ3 LYS 92 HZ3 LYS 92 -5.270 14.623 1.459 719 H GLN 93 H GLN 93 -1.903 8.851 -4.086 720 HA GLN 93 HA GLN 93 -2.413 8.055 -6.846 721 HB2 GLN 93 HB2 GLN 93 -0.339 9.023 -7.770 722 HB3 GLN 93 HB3 GLN 93 -1.555 10.217 -7.386 723 HG2 GLN 93 HG2 GLN 93 0.809 9.601 -5.553 724 HG3 GLN 93 HG3 GLN 93 0.884 10.778 -6.847 725 HE21 GLN 93 HE22 GLN 93 1.208 11.228 -3.962 726 HE22 GLN 93 HE21 GLN 93 -0.036 12.388 -3.504 727 HA PRO 94 HA PRO 94 0.270 4.720 -5.499 728 HB2 PRO 94 HB2 PRO 94 0.842 3.468 -7.842 729 HB3 PRO 94 HB3 PRO 94 -0.808 3.461 -7.141 730 HG2 PRO 94 HG2 PRO 94 0.251 5.302 -9.300 731 HG3 PRO 94 HG3 PRO 94 -1.254 4.325 -9.307 732 HD2 PRO 94 HD2 PRO 94 -1.237 6.958 -8.580 733 HD3 PRO 94 HD3 PRO 94 -2.316 5.775 -7.782 734 H LEU 95 H LEU 95 2.491 4.410 -5.223 735 HA LEU 95 HA LEU 95 4.400 6.331 -6.190 736 HB2 LEU 95 HB2 LEU 95 4.700 5.078 -4.092 737 HB3 LEU 95 HB3 LEU 95 4.742 3.561 -4.984 738 HG LEU 95 HG LEU 95 6.854 4.271 -6.104 739 HD11 LEU 95 HD11 LEU 95 6.630 6.744 -5.983 740 HD12 LEU 95 HD12 LEU 95 6.695 6.660 -4.211 741 HD13 LEU 95 HD13 LEU 95 8.109 6.211 -5.187 742 HD21 LEU 95 HD21 LEU 95 7.078 4.532 -3.096 743 HD22 LEU 95 HD22 LEU 95 6.850 2.987 -3.946 744 HD23 LEU 95 HD23 LEU 95 8.307 3.945 -4.236 745 H GLN 96 H GLN 96 5.944 6.183 -7.842 746 HA GLN 96 HA GLN 96 5.201 4.470 -10.121 747 HB2 GLN 96 HB2 GLN 96 7.191 6.754 -9.866 748 HB3 GLN 96 HB3 GLN 96 6.831 5.872 -11.356 749 HG2 GLN 96 HG2 GLN 96 4.444 6.577 -11.200 750 HG3 GLN 96 HG3 GLN 96 4.812 7.500 -9.739 751 HE21 GLN 96 HE22 GLN 96 5.507 7.303 -13.270 752 HE22 GLN 96 HE21 GLN 96 5.990 8.989 -13.393 753 H ARG 97 H ARG 97 6.454 2.965 -11.101 754 HA ARG 97 HA ARG 97 9.218 2.416 -10.259 755 HB2 ARG 97 HB2 ARG 97 8.786 0.008 -10.073 756 HB3 ARG 97 HB3 ARG 97 8.012 0.964 -8.812 757 HG2 ARG 97 HG2 ARG 97 5.823 0.688 -9.809 758 HG3 ARG 97 HG3 ARG 97 6.522 -0.085 -11.247 759 HD2 ARG 97 HD2 ARG 97 7.334 -1.969 -9.865 760 HD3 ARG 97 HD3 ARG 97 6.740 -1.170 -8.407 761 HE ARG 97 HE ARG 97 4.696 -2.059 -8.777 762 HH11 ARG 97 HH11 ARG 97 6.295 -2.213 -11.902 763 HH12 ARG 97 HH12 ARG 97 4.934 -3.006 -12.644 764 HH21 ARG 97 HH21 ARG 97 2.978 -2.940 -9.819 765 HH22 ARG 97 HH22 ARG 97 3.099 -3.400 -11.493 Start of MODEL 3 1 H1 GLY -6 H1 GLY -6 18.469 -16.779 -27.536 2 H2 GLY -6 H2 GLY -6 17.768 -16.839 -26.059 3 H3 GLY -6 H3 GLY -6 16.883 -17.167 -27.400 4 HA2 GLY -6 HA2 GLY -6 17.104 -14.908 -28.186 5 HA3 GLY -6 HA3 GLY -6 16.341 -14.973 -26.587 6 H SER -5 H SER -5 17.285 -12.613 -27.102 7 HA SER -5 HA SER -5 20.089 -12.179 -26.478 8 HB2 SER -5 HB2 SER -5 18.784 -10.637 -27.875 9 HB3 SER -5 HB3 SER -5 17.751 -10.239 -26.489 10 HG SER -5 HG SER -5 19.546 -8.760 -26.907 11 H SER -4 H SER -4 21.006 -11.263 -24.636 12 HA SER -4 HA SER -4 19.713 -11.756 -22.033 13 HB2 SER -4 HB2 SER -4 21.915 -11.069 -21.132 14 HB3 SER -4 HB3 SER -4 22.019 -12.410 -22.284 15 HG SER -4 HG SER -4 23.615 -10.793 -22.675 16 H GLY -3 H GLY -3 19.822 -9.156 -24.246 17 HA2 GLY -3 HA2 GLY -3 19.899 -6.908 -22.438 18 HA3 GLY -3 HA3 GLY -3 19.329 -6.899 -24.103 19 H SER -2 H SER -2 18.199 -5.459 -21.911 20 HA SER -2 HA SER -2 15.381 -6.299 -22.097 21 HB2 SER -2 HB2 SER -2 16.187 -7.484 -20.091 22 HB3 SER -2 HB3 SER -2 16.784 -5.957 -19.416 23 HG SER -2 HG SER -2 14.649 -6.661 -18.685 24 H SER -1 H SER -1 13.903 -4.639 -21.616 25 HA SER -1 HA SER -1 14.844 -1.855 -21.799 26 HB2 SER -1 HB2 SER -1 12.448 -1.336 -21.878 27 HB3 SER -1 HB3 SER -1 12.868 -2.597 -23.053 28 HG SER -1 HG SER -1 11.010 -3.208 -21.925 29 H GLY 0 H GLY 0 14.190 -4.087 -19.263 30 HA2 GLY 0 HA2 GLY 0 14.239 -3.840 -16.966 31 HA3 GLY 0 HA3 GLY 0 14.476 -2.101 -17.146 32 H MET 1 H MET 1 11.722 -3.015 -18.917 33 HA MET 1 HA MET 1 9.908 -1.740 -17.040 34 HB2 MET 1 HB2 MET 1 9.773 -1.477 -19.497 35 HB3 MET 1 HB3 MET 1 9.361 -3.191 -19.657 36 HG2 MET 1 HG2 MET 1 7.287 -2.832 -18.383 37 HG3 MET 1 HG3 MET 1 7.746 -1.157 -18.070 38 HE1 MET 1 HE1 MET 1 7.967 -3.218 -21.542 39 HE2 MET 1 HE2 MET 1 6.515 -3.781 -20.684 40 HE3 MET 1 HE3 MET 1 6.357 -2.827 -22.174 41 H ALA 2 H ALA 2 8.297 -2.626 -15.786 42 HA ALA 2 HA ALA 2 7.836 -5.564 -15.801 43 HB1 ALA 2 HB1 ALA 2 9.510 -5.137 -14.056 44 HB2 ALA 2 HB2 ALA 2 8.463 -3.901 -13.325 45 HB3 ALA 2 HB3 ALA 2 7.956 -5.604 -13.338 46 H GLU 3 H GLU 3 5.783 -5.787 -16.302 47 HA GLU 3 HA GLU 3 3.758 -3.758 -15.498 48 HB2 GLU 3 HB2 GLU 3 3.665 -5.940 -17.610 49 HB3 GLU 3 HB3 GLU 3 2.410 -4.735 -17.303 50 HG2 GLU 3 HG2 GLU 3 4.065 -2.923 -17.835 51 HG3 GLU 3 HG3 GLU 3 5.226 -4.169 -18.305 52 H ALA 4 H ALA 4 4.788 -6.617 -14.184 53 HA ALA 4 HA ALA 4 2.320 -8.026 -13.776 54 HB1 ALA 4 HB1 ALA 4 4.530 -9.106 -13.717 55 HB2 ALA 4 HB2 ALA 4 4.961 -8.170 -12.265 56 HB3 ALA 4 HB3 ALA 4 3.651 -9.369 -12.198 57 H ALA 5 H ALA 5 1.018 -8.229 -11.978 58 HA ALA 5 HA ALA 5 -0.353 -7.504 -10.357 59 HB1 ALA 5 HB1 ALA 5 1.620 -8.134 -8.991 60 HB2 ALA 5 HB2 ALA 5 2.152 -6.439 -9.009 61 HB3 ALA 5 HB3 ALA 5 0.625 -6.886 -8.229 62 H ALA 6 H ALA 6 -0.874 -5.461 -8.814 63 HA ALA 6 HA ALA 6 -1.675 -3.291 -10.530 64 HB1 ALA 6 HB1 ALA 6 -2.933 -4.055 -8.540 65 HB2 ALA 6 HB2 ALA 6 -1.599 -3.512 -7.494 66 HB3 ALA 6 HB3 ALA 6 -2.525 -2.337 -8.452 67 HA PRO 7 HA PRO 7 1.951 -0.856 -10.630 68 HB2 PRO 7 HB2 PRO 7 1.072 1.764 -10.603 69 HB3 PRO 7 HB3 PRO 7 0.876 0.647 -11.989 70 HG2 PRO 7 HG2 PRO 7 -1.144 1.281 -9.810 71 HG3 PRO 7 HG3 PRO 7 -1.396 1.274 -11.586 72 HD2 PRO 7 HD2 PRO 7 -2.092 -0.857 -10.094 73 HD3 PRO 7 HD3 PRO 7 -1.302 -1.101 -11.679 74 H TRP 8 H TRP 8 -0.204 -0.123 -7.913 75 HA TRP 8 HA TRP 8 1.820 1.183 -6.275 76 HB2 TRP 8 HB2 TRP 8 0.014 0.649 -4.467 77 HB3 TRP 8 HB3 TRP 8 -0.272 1.865 -5.667 78 HD1 TRP 8 HD1 TRP 8 -2.287 1.606 -7.257 79 HE1 TRP 8 HE1 TRP 8 -4.257 -0.033 -7.432 80 HE3 TRP 8 HE3 TRP 8 -0.566 -2.079 -4.151 81 HZ2 TRP 8 HZ2 TRP 8 -5.042 -2.540 -6.280 82 HZ3 TRP 8 HZ3 TRP 8 -1.966 -4.092 -3.690 83 HH2 TRP 8 HH2 TRP 8 -4.192 -4.334 -4.766 84 H TYR 9 H TYR 9 1.467 -2.143 -7.104 85 HA TYR 9 HA TYR 9 2.447 -3.080 -4.484 86 HB2 TYR 9 HB2 TYR 9 0.773 -4.375 -5.763 87 HB3 TYR 9 HB3 TYR 9 1.972 -4.646 -7.025 88 HD1 TYR 9 HD1 TYR 9 1.380 -5.086 -3.342 89 HD2 TYR 9 HD2 TYR 9 3.466 -6.503 -6.843 90 HE1 TYR 9 HE1 TYR 9 2.273 -6.998 -2.030 91 HE2 TYR 9 HE2 TYR 9 4.332 -8.439 -5.534 92 HH TYR 9 HH TYR 9 3.599 -8.867 -2.058 93 H HIS 10 H HIS 10 4.483 -3.410 -3.957 94 HA HIS 10 HA HIS 10 6.640 -3.268 -6.036 95 HB2 HIS 10 HB2 HIS 10 6.402 -1.943 -3.324 96 HB3 HIS 10 HB3 HIS 10 7.964 -2.185 -4.094 97 HD1 HIS 10 HD1 HIS 10 8.646 -0.543 -6.028 98 HD2 HIS 10 HD2 HIS 10 4.665 -0.246 -4.724 99 HE1 HIS 10 HE1 HIS 10 7.685 1.546 -7.135 100 H GLY 11 H GLY 11 5.298 -5.625 -4.267 101 HA2 GLY 11 HA2 GLY 11 6.107 -7.743 -3.708 102 HA3 GLY 11 HA3 GLY 11 7.616 -7.281 -4.461 103 HA PRO 12 HA PRO 12 8.525 -7.767 0.022 104 HB2 PRO 12 HB2 PRO 12 10.877 -9.100 -0.100 105 HB3 PRO 12 HB3 PRO 12 9.329 -9.872 -0.535 106 HG2 PRO 12 HG2 PRO 12 11.335 -8.588 -2.425 107 HG3 PRO 12 HG3 PRO 12 10.622 -10.231 -2.525 108 HD2 PRO 12 HD2 PRO 12 9.597 -8.097 -3.897 109 HD3 PRO 12 HD3 PRO 12 8.547 -9.390 -3.244 110 H LEU 13 H LEU 13 8.584 -5.289 -0.790 111 HA LEU 13 HA LEU 13 11.193 -4.011 -0.534 112 HB2 LEU 13 HB2 LEU 13 9.035 -3.149 -1.741 113 HB3 LEU 13 HB3 LEU 13 8.475 -2.726 -0.128 114 HG LEU 13 HG LEU 13 10.530 -1.274 0.137 115 HD11 LEU 13 HD11 LEU 13 12.012 -2.223 -1.569 116 HD12 LEU 13 HD12 LEU 13 10.803 -1.922 -2.838 117 HD13 LEU 13 HD13 LEU 13 11.613 -0.567 -2.038 118 HD21 LEU 13 HD21 LEU 13 8.690 -0.622 -2.201 119 HD22 LEU 13 HD22 LEU 13 8.311 -0.368 -0.485 120 HD23 LEU 13 HD23 LEU 13 9.630 0.541 -1.239 121 H SER 14 H SER 14 12.069 -3.048 1.311 122 HA SER 14 HA SER 14 10.952 -3.825 3.958 123 HB2 SER 14 HB2 SER 14 13.605 -2.561 3.176 124 HB3 SER 14 HB3 SER 14 13.128 -3.024 4.819 125 HG SER 14 HG SER 14 14.382 -4.649 3.758 126 H ARG 15 H ARG 15 10.861 -2.274 5.711 127 HA ARG 15 HA ARG 15 9.346 0.065 5.245 128 HB2 ARG 15 HB2 ARG 15 11.083 -0.892 7.542 129 HB3 ARG 15 HB3 ARG 15 10.552 0.781 7.518 130 HG2 ARG 15 HG2 ARG 15 8.157 -0.048 7.225 131 HG3 ARG 15 HG3 ARG 15 8.787 -1.682 7.521 132 HD2 ARG 15 HD2 ARG 15 7.949 -0.738 9.612 133 HD3 ARG 15 HD3 ARG 15 9.723 -0.874 9.695 134 HE ARG 15 HE ARG 15 9.335 1.706 8.774 135 HH11 ARG 15 HH11 ARG 15 8.123 0.141 11.681 136 HH12 ARG 15 HH12 ARG 15 8.154 1.646 12.561 137 HH21 ARG 15 HH21 ARG 15 9.448 3.412 9.874 138 HH22 ARG 15 HH22 ARG 15 8.886 3.526 11.546 139 H THR 16 H THR 16 12.865 0.019 5.950 140 HA THR 16 HA THR 16 13.280 2.742 5.728 141 HB THR 16 HB THR 16 15.332 0.725 4.759 142 HG1 THR 16 HG1 THR 16 15.834 0.455 6.945 143 HG21 THR 16 HG21 THR 16 16.052 3.072 4.642 144 HG22 THR 16 HG22 THR 16 15.507 3.352 6.312 145 HG23 THR 16 HG23 THR 16 16.885 2.273 5.980 146 H ASP 17 H ASP 17 13.114 0.457 3.006 147 HA ASP 17 HA ASP 17 13.884 2.397 0.963 148 HB2 ASP 17 HB2 ASP 17 12.586 -0.352 0.903 149 HB3 ASP 17 HB3 ASP 17 12.892 0.589 -0.545 150 H ALA 18 H ALA 18 10.753 1.110 2.188 151 HA ALA 18 HA ALA 18 9.068 2.609 0.426 152 HB1 ALA 18 HB1 ALA 18 8.305 0.659 1.740 153 HB2 ALA 18 HB2 ALA 18 8.575 1.547 3.253 154 HB3 ALA 18 HB3 ALA 18 7.323 2.089 2.126 155 H GLU 19 H GLU 19 10.364 3.379 3.674 156 HA GLU 19 HA GLU 19 9.127 5.947 3.934 157 HB2 GLU 19 HB2 GLU 19 11.588 4.747 5.258 158 HB3 GLU 19 HB3 GLU 19 10.901 6.323 5.675 159 HG2 GLU 19 HG2 GLU 19 8.730 5.234 6.219 160 HG3 GLU 19 HG3 GLU 19 9.431 3.665 5.855 161 H ASN 20 H ASN 20 12.414 5.060 2.708 162 HA ASN 20 HA ASN 20 13.155 7.787 2.154 163 HB2 ASN 20 HB2 ASN 20 14.180 5.062 1.325 164 HB3 ASN 20 HB3 ASN 20 14.704 6.461 0.411 165 HD21 ASN 20 HD22 ASN 20 14.866 4.925 3.564 166 HD22 ASN 20 HD21 ASN 20 16.125 5.998 4.190 167 H SER 21 H SER 21 11.248 5.480 0.260 168 HA SER 21 HA SER 21 11.245 7.092 -2.162 169 HB2 SER 21 HB2 SER 21 9.286 4.943 -1.255 170 HB3 SER 21 HB3 SER 21 9.417 5.645 -2.879 171 HG SER 21 HG SER 21 11.327 4.064 -1.481 172 H LEU 22 H LEU 22 8.817 6.645 0.482 173 HA LEU 22 HA LEU 22 7.025 8.586 -0.704 174 HB2 LEU 22 HB2 LEU 22 7.060 6.818 1.702 175 HB3 LEU 22 HB3 LEU 22 6.028 8.228 1.770 176 HG LEU 22 HG LEU 22 4.744 7.584 -0.109 177 HD11 LEU 22 HD11 LEU 22 6.349 6.588 -1.636 178 HD12 LEU 22 HD12 LEU 22 6.666 5.258 -0.495 179 HD13 LEU 22 HD13 LEU 22 5.082 5.401 -1.290 180 HD21 LEU 22 HD21 LEU 22 5.272 5.125 1.615 181 HD22 LEU 22 HD22 LEU 22 4.387 6.569 2.146 182 HD23 LEU 22 HD23 LEU 22 3.751 5.581 0.808 183 H LEU 23 H LEU 23 9.513 8.916 1.829 184 HA LEU 23 HA LEU 23 8.674 11.491 2.747 185 HB2 LEU 23 HB2 LEU 23 10.274 9.982 3.887 186 HB3 LEU 23 HB3 LEU 23 11.441 10.231 2.587 187 HG LEU 23 HG LEU 23 11.645 12.621 3.224 188 HD11 LEU 23 HD11 LEU 23 9.423 13.048 4.203 189 HD12 LEU 23 HD12 LEU 23 9.745 11.872 5.499 190 HD13 LEU 23 HD13 LEU 23 10.680 13.379 5.396 191 HD21 LEU 23 HD21 LEU 23 11.996 10.687 5.549 192 HD22 LEU 23 HD22 LEU 23 13.138 10.928 4.208 193 HD23 LEU 23 HD23 LEU 23 12.822 12.249 5.344 194 H ARG 24 H ARG 24 10.275 10.518 -0.192 195 HA ARG 24 HA ARG 24 10.972 13.296 -0.993 196 HB2 ARG 24 HB2 ARG 24 11.436 10.574 -2.283 197 HB3 ARG 24 HB3 ARG 24 11.901 12.113 -3.020 198 HG2 ARG 24 HG2 ARG 24 13.375 12.642 -1.136 199 HG3 ARG 24 HG3 ARG 24 12.904 11.152 -0.302 200 HD2 ARG 24 HD2 ARG 24 13.857 9.792 -2.125 201 HD3 ARG 24 HD3 ARG 24 14.237 11.254 -3.037 202 HE ARG 24 HE ARG 24 16.104 11.623 -1.736 203 HH11 ARG 24 HH11 ARG 24 14.218 9.177 -0.064 204 HH12 ARG 24 HH12 ARG 24 15.530 8.834 1.056 205 HH21 ARG 24 HH21 ARG 24 17.695 11.125 -0.257 206 HH22 ARG 24 HH22 ARG 24 17.397 9.908 0.952 207 H MET 25 H MET 25 8.219 11.334 -1.205 208 HA MET 25 HA MET 25 7.246 12.558 -3.729 209 HB2 MET 25 HB2 MET 25 6.314 10.241 -2.007 210 HB3 MET 25 HB3 MET 25 5.340 10.881 -3.309 211 HG2 MET 25 HG2 MET 25 8.161 9.908 -3.663 212 HG3 MET 25 HG3 MET 25 6.758 8.903 -3.938 213 HE1 MET 25 HE1 MET 25 5.321 8.909 -6.146 214 HE2 MET 25 HE2 MET 25 4.663 10.446 -5.539 215 HE3 MET 25 HE3 MET 25 5.213 10.318 -7.222 216 HA PRO 26 HA PRO 26 4.313 15.270 -1.673 217 HB2 PRO 26 HB2 PRO 26 2.084 15.082 -3.276 218 HB3 PRO 26 HB3 PRO 26 3.566 15.982 -3.733 219 HG2 PRO 26 HG2 PRO 26 2.759 13.166 -4.512 220 HG3 PRO 26 HG3 PRO 26 3.383 14.471 -5.570 221 HD2 PRO 26 HD2 PRO 26 4.978 12.510 -4.616 222 HD3 PRO 26 HD3 PRO 26 5.600 14.165 -4.772 223 H GLU 27 H GLU 27 2.208 15.263 -0.557 224 HA GLU 27 HA GLU 27 1.724 12.913 0.999 225 HB2 GLU 27 HB2 GLU 27 1.343 15.191 1.802 226 HB3 GLU 27 HB3 GLU 27 0.045 15.421 0.621 227 HG2 GLU 27 HG2 GLU 27 -1.348 13.770 1.729 228 HG3 GLU 27 HG3 GLU 27 0.000 13.247 2.742 229 H GLY 28 H GLY 28 0.157 11.413 1.078 230 HA2 GLY 28 HA2 GLY 28 -1.622 10.102 0.373 231 HA3 GLY 28 HA3 GLY 28 -1.963 11.265 -0.912 232 H THR 29 H THR 29 1.326 10.344 -0.927 233 HA THR 29 HA THR 29 0.988 8.575 -3.244 234 HB THR 29 HB THR 29 3.616 9.253 -1.861 235 HG1 THR 29 HG1 THR 29 2.991 11.113 -2.673 236 HG21 THR 29 HG21 THR 29 3.652 7.210 -3.281 237 HG22 THR 29 HG22 THR 29 2.939 8.139 -4.621 238 HG23 THR 29 HG23 THR 29 4.553 8.535 -3.997 239 H PHE 30 H PHE 30 0.864 6.365 -3.099 240 HA PHE 30 HA PHE 30 1.726 5.114 -0.539 241 HB2 PHE 30 HB2 PHE 30 -0.326 3.928 -0.375 242 HB3 PHE 30 HB3 PHE 30 -0.671 5.640 -0.525 243 HD1 PHE 30 HD1 PHE 30 -1.718 6.534 -2.606 244 HD2 PHE 30 HD2 PHE 30 -0.912 2.341 -2.131 245 HE1 PHE 30 HE1 PHE 30 -3.165 6.039 -4.569 246 HE2 PHE 30 HE2 PHE 30 -2.407 1.835 -4.052 247 HZ PHE 30 HZ PHE 30 -3.485 3.681 -5.309 248 H LEU 31 H LEU 31 1.890 2.862 -0.499 249 HA LEU 31 HA LEU 31 2.179 1.399 -3.018 250 HB2 LEU 31 HB2 LEU 31 4.471 0.721 -2.676 251 HB3 LEU 31 HB3 LEU 31 4.365 2.460 -2.745 252 HG LEU 31 HG LEU 31 4.420 2.373 -0.133 253 HD11 LEU 31 HD11 LEU 31 4.219 -0.071 0.273 254 HD12 LEU 31 HD12 LEU 31 5.596 -0.376 -0.804 255 HD13 LEU 31 HD13 LEU 31 5.816 0.476 0.739 256 HD21 LEU 31 HD21 LEU 31 6.845 1.574 -1.786 257 HD22 LEU 31 HD22 LEU 31 6.201 3.214 -1.567 258 HD23 LEU 31 HD23 LEU 31 6.865 2.355 -0.186 259 H VAL 32 H VAL 32 2.351 -0.894 -2.696 260 HA VAL 32 HA VAL 32 1.777 -1.853 0.057 261 HB VAL 32 HB VAL 32 0.506 -3.023 -2.425 262 HG11 VAL 32 HG11 VAL 32 0.877 -4.743 -0.713 263 HG12 VAL 32 HG12 VAL 32 0.184 -3.682 0.539 264 HG13 VAL 32 HG13 VAL 32 -0.833 -4.321 -0.760 265 HG21 VAL 32 HG21 VAL 32 -0.692 -1.362 -0.157 266 HG22 VAL 32 HG22 VAL 32 -0.555 -0.866 -1.859 267 HG23 VAL 32 HG23 VAL 32 -1.625 -2.199 -1.420 268 H ARG 33 H ARG 33 2.909 -3.543 0.736 269 HA ARG 33 HA ARG 33 4.833 -4.899 -1.109 270 HB2 ARG 33 HB2 ARG 33 6.670 -4.425 0.428 271 HB3 ARG 33 HB3 ARG 33 5.915 -2.915 -0.085 272 HG2 ARG 33 HG2 ARG 33 4.590 -2.977 2.116 273 HG3 ARG 33 HG3 ARG 33 5.608 -4.345 2.586 274 HD2 ARG 33 HD2 ARG 33 7.611 -2.756 2.172 275 HD3 ARG 33 HD3 ARG 33 6.426 -1.469 2.038 276 HE ARG 33 HE ARG 33 6.050 -1.544 4.328 277 HH11 ARG 33 HH11 ARG 33 8.110 -4.319 3.546 278 HH12 ARG 33 HH12 ARG 33 8.165 -4.804 5.233 279 HH21 ARG 33 HH21 ARG 33 6.261 -2.282 6.447 280 HH22 ARG 33 HH22 ARG 33 7.196 -3.730 6.746 281 H ASP 34 H ASP 34 5.741 -6.867 -0.289 282 HA ASP 34 HA ASP 34 3.968 -8.524 1.348 283 HB2 ASP 34 HB2 ASP 34 5.345 -9.465 -0.449 284 HB3 ASP 34 HB3 ASP 34 6.809 -8.972 0.388 285 H SER 35 H SER 35 4.052 -8.948 3.496 286 HA SER 35 HA SER 35 5.009 -6.839 5.098 287 HB2 SER 35 HB2 SER 35 2.954 -8.022 5.582 288 HB3 SER 35 HB3 SER 35 3.842 -9.519 5.904 289 HG SER 35 HG SER 35 3.240 -8.210 7.788 290 H THR 36 H THR 36 6.453 -6.553 6.650 291 HA THR 36 HA THR 36 8.938 -7.999 6.698 292 HB THR 36 HB THR 36 7.898 -6.162 8.882 293 HG1 THR 36 HG1 THR 36 9.113 -4.589 7.520 294 HG21 THR 36 HG21 THR 36 10.109 -7.196 9.305 295 HG22 THR 36 HG22 THR 36 10.686 -6.624 7.723 296 HG23 THR 36 HG23 THR 36 10.274 -5.465 9.012 297 H SER 37 H SER 37 5.891 -8.384 8.475 298 HA SER 37 HA SER 37 7.026 -9.951 10.653 299 HB2 SER 37 HB2 SER 37 4.139 -9.755 9.727 300 HB3 SER 37 HB3 SER 37 4.714 -10.407 11.267 301 HG SER 37 HG SER 37 5.612 -8.272 11.676 302 H SER 38 H SER 38 5.082 -10.825 7.753 303 HA SER 38 HA SER 38 6.148 -13.584 7.777 304 HB2 SER 38 HB2 SER 38 3.177 -12.943 7.998 305 HB3 SER 38 HB3 SER 38 3.855 -14.543 7.661 306 HG SER 38 HG SER 38 3.354 -14.267 9.881 307 HA PRO 39 HA PRO 39 5.528 -12.846 3.365 308 HB2 PRO 39 HB2 PRO 39 5.933 -15.344 2.347 309 HB3 PRO 39 HB3 PRO 39 7.262 -14.336 3.002 310 HG2 PRO 39 HG2 PRO 39 5.722 -16.536 4.422 311 HG3 PRO 39 HG3 PRO 39 7.498 -16.310 4.333 312 HD2 PRO 39 HD2 PRO 39 6.028 -15.452 6.466 313 HD3 PRO 39 HD3 PRO 39 7.442 -14.526 5.876 314 H GLY 40 H GLY 40 3.841 -12.958 1.916 315 HA2 GLY 40 HA2 GLY 40 1.826 -13.708 0.952 316 HA3 GLY 40 HA3 GLY 40 1.613 -14.895 2.239 317 H ASP 41 H ASP 41 2.304 -12.204 3.919 318 HA ASP 41 HA ASP 41 -0.448 -11.025 3.958 319 HB2 ASP 41 HB2 ASP 41 1.651 -11.126 6.162 320 HB3 ASP 41 HB3 ASP 41 0.167 -10.177 6.218 321 H TYR 42 H TYR 42 -0.423 -8.613 4.197 322 HA TYR 42 HA TYR 42 1.957 -7.473 2.775 323 HB2 TYR 42 HB2 TYR 42 -0.939 -6.881 2.132 324 HB3 TYR 42 HB3 TYR 42 0.480 -6.294 1.290 325 HD1 TYR 42 HD2 TYR 42 2.053 -8.075 0.251 326 HD2 TYR 42 HD1 TYR 42 -1.989 -8.898 1.485 327 HE1 TYR 42 HE2 TYR 42 2.030 -10.130 -1.187 328 HE2 TYR 42 HE1 TYR 42 -2.022 -10.934 0.039 329 HH TYR 42 HH TYR 42 0.812 -11.916 -1.926 330 H VAL 43 H VAL 43 2.030 -5.111 2.688 331 HA VAL 43 HA VAL 43 0.796 -3.722 5.025 332 HB VAL 43 HB VAL 43 3.735 -3.509 4.271 333 HG11 VAL 43 HG11 VAL 43 2.867 -1.369 5.142 334 HG12 VAL 43 HG12 VAL 43 2.142 -2.216 6.528 335 HG13 VAL 43 HG13 VAL 43 3.901 -2.143 6.344 336 HG21 VAL 43 HG21 VAL 43 2.426 -4.747 6.716 337 HG22 VAL 43 HG22 VAL 43 3.276 -5.617 5.435 338 HG23 VAL 43 HG23 VAL 43 4.175 -4.515 6.485 339 H LEU 44 H LEU 44 -0.075 -1.847 4.497 340 HA LEU 44 HA LEU 44 0.416 -0.553 1.861 341 HB2 LEU 44 HB2 LEU 44 -1.924 -0.860 2.508 342 HB3 LEU 44 HB3 LEU 44 -1.631 -0.146 4.074 343 HG LEU 44 HG LEU 44 -1.260 2.059 3.040 344 HD11 LEU 44 HD11 LEU 44 -0.358 1.584 0.881 345 HD12 LEU 44 HD12 LEU 44 -1.793 0.644 0.420 346 HD13 LEU 44 HD13 LEU 44 -1.901 2.402 0.644 347 HD21 LEU 44 HD21 LEU 44 -3.800 0.693 2.037 348 HD22 LEU 44 HD22 LEU 44 -3.549 1.286 3.693 349 HD23 LEU 44 HD23 LEU 44 -3.587 2.427 2.341 350 H SER 45 H SER 45 1.899 1.044 1.803 351 HA SER 45 HA SER 45 2.466 2.572 4.309 352 HB2 SER 45 HB2 SER 45 4.397 2.216 2.015 353 HB3 SER 45 HB3 SER 45 4.687 3.035 3.554 354 HG SER 45 HG SER 45 4.097 0.269 3.168 355 H CYS 46 H CYS 46 2.250 4.796 4.218 356 HA CYS 46 HA CYS 46 1.558 6.048 1.602 357 HB2 CYS 46 HB2 CYS 46 -0.514 5.179 2.760 358 HB3 CYS 46 HB3 CYS 46 -0.172 6.315 4.082 359 HG CYS 46 HG CYS 46 -2.058 7.309 2.555 360 H SER 47 H SER 47 2.091 8.264 1.403 361 HA SER 47 HA SER 47 3.672 9.470 3.548 362 HB2 SER 47 HB2 SER 47 3.857 11.329 1.954 363 HB3 SER 47 HB3 SER 47 4.482 9.802 1.332 364 HG SER 47 HG SER 47 3.128 11.099 -0.121 365 H GLU 48 H GLU 48 2.694 10.315 5.169 366 HA GLU 48 HA GLU 48 0.193 11.952 4.844 367 HB2 GLU 48 HB2 GLU 48 0.617 9.725 6.874 368 HB3 GLU 48 HB3 GLU 48 -0.601 10.966 7.002 369 HG2 GLU 48 HG2 GLU 48 -1.574 10.240 4.808 370 HG3 GLU 48 HG3 GLU 48 -0.418 8.901 4.783 371 H ASN 49 H ASN 49 0.158 13.839 5.933 372 HA ASN 49 HA ASN 49 0.700 15.522 7.286 373 HB2 ASN 49 HB2 ASN 49 -0.378 13.880 8.826 374 HB3 ASN 49 HB3 ASN 49 1.217 13.339 9.341 375 HD21 ASN 49 HD22 ASN 49 -0.688 16.408 9.014 376 HD22 ASN 49 HD21 ASN 49 -0.102 17.062 10.535 377 H GLY 50 H GLY 50 2.808 14.746 5.585 378 HA2 GLY 50 HA2 GLY 50 4.946 15.511 5.140 379 HA3 GLY 50 HA3 GLY 50 5.033 16.194 6.763 380 H LYS 51 H LYS 51 4.230 12.898 6.917 381 HA LYS 51 HA LYS 51 7.020 11.877 6.956 382 HB2 LYS 51 HB2 LYS 51 6.617 10.753 9.128 383 HB3 LYS 51 HB3 LYS 51 6.651 12.494 9.209 384 HG2 LYS 51 HG2 LYS 51 4.990 11.845 10.690 385 HG3 LYS 51 HG3 LYS 51 4.129 12.524 9.320 386 HD2 LYS 51 HD2 LYS 51 3.644 10.191 8.518 387 HD3 LYS 51 HD3 LYS 51 4.478 9.542 9.932 388 HE2 LYS 51 HE2 LYS 51 2.056 11.407 10.005 389 HE3 LYS 51 HE3 LYS 51 1.951 9.653 10.082 390 HZ1 LYS 51 HZ1 LYS 51 3.287 9.728 12.136 391 HZ2 LYS 51 HZ2 LYS 51 3.301 11.365 12.097 392 HZ3 LYS 51 HZ3 LYS 51 1.893 10.562 12.299 393 H VAL 52 H VAL 52 6.547 9.296 7.702 394 HA VAL 52 HA VAL 52 4.693 8.284 5.577 395 HB VAL 52 HB VAL 52 7.386 7.102 6.306 396 HG11 VAL 52 HG11 VAL 52 5.840 5.357 5.583 397 HG12 VAL 52 HG12 VAL 52 5.291 6.351 4.221 398 HG13 VAL 52 HG13 VAL 52 6.938 5.699 4.249 399 HG21 VAL 52 HG21 VAL 52 6.457 8.768 3.932 400 HG22 VAL 52 HG22 VAL 52 7.773 9.137 5.062 401 HG23 VAL 52 HG23 VAL 52 7.953 7.807 3.926 402 H THR 53 H THR 53 3.315 6.746 6.066 403 HA THR 53 HA THR 53 3.308 5.533 8.801 404 HB THR 53 HB THR 53 0.838 5.428 8.494 405 HG1 THR 53 HG1 THR 53 0.015 6.900 6.857 406 HG21 THR 53 HG21 THR 53 1.888 7.288 9.762 407 HG22 THR 53 HG22 THR 53 1.966 8.249 8.263 408 HG23 THR 53 HG23 THR 53 0.394 7.785 8.946 409 H HIS 54 H HIS 54 2.315 3.415 8.976 410 HA HIS 54 HA HIS 54 2.344 1.723 6.532 411 HB2 HIS 54 HB2 HIS 54 3.827 1.000 9.081 412 HB3 HIS 54 HB3 HIS 54 3.747 0.067 7.593 413 HD1 HIS 54 HD1 HIS 54 5.100 1.340 5.403 414 HD2 HIS 54 HD2 HIS 54 5.800 2.681 9.336 415 HE1 HIS 54 HE1 HIS 54 7.305 2.608 5.350 416 H TYR 55 H TYR 55 0.765 0.230 6.522 417 HA TYR 55 HA TYR 55 -0.737 -0.438 9.027 418 HB2 TYR 55 HB2 TYR 55 -1.940 0.235 6.313 419 HB3 TYR 55 HB3 TYR 55 -2.798 -0.111 7.813 420 HD1 TYR 55 HD2 TYR 55 -2.498 1.492 9.807 421 HD2 TYR 55 HD1 TYR 55 -1.257 2.461 5.788 422 HE1 TYR 55 HE2 TYR 55 -2.430 3.914 10.404 423 HE2 TYR 55 HE1 TYR 55 -1.223 4.875 6.381 424 HH TYR 55 HH TYR 55 -1.671 6.464 8.014 425 H LYS 56 H LYS 56 -1.003 -2.589 9.317 426 HA LYS 56 HA LYS 56 -0.086 -4.451 7.258 427 HB2 LYS 56 HB2 LYS 56 -1.111 -4.874 10.089 428 HB3 LYS 56 HB3 LYS 56 -0.613 -6.184 9.006 429 HG2 LYS 56 HG2 LYS 56 1.639 -5.190 8.790 430 HG3 LYS 56 HG3 LYS 56 1.174 -3.852 9.841 431 HD2 LYS 56 HD2 LYS 56 2.518 -5.471 11.043 432 HD3 LYS 56 HD3 LYS 56 0.888 -5.404 11.732 433 HE2 LYS 56 HE2 LYS 56 0.264 -7.484 10.660 434 HE3 LYS 56 HE3 LYS 56 1.736 -7.492 9.676 435 HZ1 LYS 56 HZ1 LYS 56 3.048 -7.881 11.620 436 HZ2 LYS 56 HZ2 LYS 56 1.773 -7.678 12.640 437 HZ3 LYS 56 HZ3 LYS 56 1.839 -8.975 11.650 438 H LEU 57 H LEU 57 -1.111 -5.832 6.073 439 HA LEU 57 HA LEU 57 -4.109 -5.929 5.992 440 HB2 LEU 57 HB2 LEU 57 -2.005 -6.123 3.812 441 HB3 LEU 57 HB3 LEU 57 -3.703 -6.436 3.530 442 HG LEU 57 HG LEU 57 -2.997 -3.781 4.738 443 HD11 LEU 57 HD11 LEU 57 -1.242 -3.939 3.094 444 HD12 LEU 57 HD12 LEU 57 -2.344 -4.596 1.878 445 HD13 LEU 57 HD13 LEU 57 -2.514 -2.916 2.397 446 HD21 LEU 57 HD21 LEU 57 -4.829 -4.505 2.423 447 HD22 LEU 57 HD22 LEU 57 -5.348 -4.436 4.121 448 HD23 LEU 57 HD23 LEU 57 -4.774 -2.969 3.308 449 H SER 58 H SER 58 -4.446 -7.772 7.116 450 HA SER 58 HA SER 58 -2.672 -10.135 6.830 451 HB2 SER 58 HB2 SER 58 -4.963 -9.588 8.740 452 HB3 SER 58 HB3 SER 58 -3.931 -11.031 8.746 453 HG SER 58 HG SER 58 -3.202 -9.429 10.234 454 H ALA 59 H ALA 59 -3.260 -12.095 5.960 455 HA ALA 59 HA ALA 59 -5.758 -12.186 4.400 456 HB1 ALA 59 HB1 ALA 59 -3.658 -12.901 3.385 457 HB2 ALA 59 HB2 ALA 59 -3.459 -14.154 4.630 458 HB3 ALA 59 HB3 ALA 59 -4.811 -14.248 3.479 459 H GLU 60 H GLU 60 -7.628 -12.944 5.183 460 HA GLU 60 HA GLU 60 -7.620 -15.371 6.940 461 HB2 GLU 60 HB2 GLU 60 -9.452 -12.958 7.260 462 HB3 GLU 60 HB3 GLU 60 -9.635 -14.520 8.068 463 HG2 GLU 60 HG2 GLU 60 -7.284 -14.170 9.017 464 HG3 GLU 60 HG3 GLU 60 -7.398 -12.498 8.452 465 H GLU 61 H GLU 61 -8.625 -16.996 5.938 466 HA GLU 61 HA GLU 61 -9.618 -18.166 4.260 467 HB2 GLU 61 HB2 GLU 61 -11.873 -16.247 4.915 468 HB3 GLU 61 HB3 GLU 61 -12.038 -17.682 3.910 469 HG2 GLU 61 HG2 GLU 61 -12.798 -18.348 6.011 470 HG3 GLU 61 HG3 GLU 61 -11.228 -19.105 5.797 471 H GLY 62 H GLY 62 -7.926 -16.090 3.328 472 HA2 GLY 62 HA2 GLY 62 -7.138 -15.467 1.224 473 HA3 GLY 62 HA3 GLY 62 -8.641 -16.015 0.484 474 H LYS 63 H LYS 63 -9.532 -13.961 2.974 475 HA LYS 63 HA LYS 63 -9.742 -11.568 1.193 476 HB2 LYS 63 HB2 LYS 63 -11.419 -12.382 3.604 477 HB3 LYS 63 HB3 LYS 63 -11.619 -10.907 2.661 478 HG2 LYS 63 HG2 LYS 63 -11.852 -12.452 0.592 479 HG3 LYS 63 HG3 LYS 63 -12.048 -13.774 1.757 480 HD2 LYS 63 HD2 LYS 63 -13.949 -12.418 2.793 481 HD3 LYS 63 HD3 LYS 63 -13.819 -11.312 1.425 482 HE2 LYS 63 HE2 LYS 63 -14.539 -14.272 1.370 483 HE3 LYS 63 HE3 LYS 63 -15.610 -12.912 1.029 484 HZ1 LYS 63 HZ1 LYS 63 -14.202 -12.439 -0.972 485 HZ2 LYS 63 HZ2 LYS 63 -13.305 -13.763 -0.644 486 HZ3 LYS 63 HZ3 LYS 63 -14.879 -13.921 -1.024 487 H ILE 64 H ILE 64 -9.693 -9.464 2.297 488 HA ILE 64 HA ILE 64 -7.111 -9.339 3.771 489 HB ILE 64 HB ILE 64 -8.587 -7.410 1.960 490 HG12 ILE 64 HG12 ILE 64 -7.469 -9.214 0.749 491 HG13 ILE 64 HG13 ILE 64 -6.705 -7.668 0.455 492 HG21 ILE 64 HG21 ILE 64 -7.528 -6.006 3.603 493 HG22 ILE 64 HG22 ILE 64 -6.016 -6.930 3.507 494 HG23 ILE 64 HG23 ILE 64 -6.581 -5.950 2.126 495 HD11 ILE 64 HD11 ILE 64 -4.852 -8.276 2.018 496 HD12 ILE 64 HD12 ILE 64 -5.612 -9.869 2.261 497 HD13 ILE 64 HD13 ILE 64 -5.018 -9.400 0.663 498 H ARG 65 H ARG 65 -7.232 -9.138 5.842 499 HA ARG 65 HA ARG 65 -9.286 -7.457 7.199 500 HB2 ARG 65 HB2 ARG 65 -9.000 -9.737 8.014 501 HB3 ARG 65 HB3 ARG 65 -7.264 -9.526 8.173 502 HG2 ARG 65 HG2 ARG 65 -8.428 -9.493 10.324 503 HG3 ARG 65 HG3 ARG 65 -7.515 -8.007 10.034 504 HD2 ARG 65 HD2 ARG 65 -9.462 -6.752 9.581 505 HD3 ARG 65 HD3 ARG 65 -10.467 -8.209 9.369 506 HE ARG 65 HE ARG 65 -9.419 -8.164 12.017 507 HH11 ARG 65 HH11 ARG 65 -11.693 -6.384 10.077 508 HH12 ARG 65 HH12 ARG 65 -12.805 -6.108 11.401 509 HH21 ARG 65 HH21 ARG 65 -10.804 -7.693 13.732 510 HH22 ARG 65 HH22 ARG 65 -12.276 -6.813 13.444 511 H ILE 66 H ILE 66 -8.803 -5.428 7.707 512 HA ILE 66 HA ILE 66 -6.086 -4.713 8.599 513 HB ILE 66 HB ILE 66 -5.869 -4.185 6.325 514 HG12 ILE 66 HG12 ILE 66 -6.517 -1.557 7.686 515 HG13 ILE 66 HG13 ILE 66 -5.104 -2.515 8.099 516 HG21 ILE 66 HG21 ILE 66 -8.272 -4.112 5.647 517 HG22 ILE 66 HG22 ILE 66 -8.414 -2.519 6.421 518 HG23 ILE 66 HG23 ILE 66 -7.356 -2.754 5.018 519 HD11 ILE 66 HD11 ILE 66 -4.170 -2.233 5.884 520 HD12 ILE 66 HD12 ILE 66 -5.631 -1.405 5.305 521 HD13 ILE 66 HD13 ILE 66 -4.618 -0.647 6.531 522 H ASP 67 H ASP 67 -6.142 -3.603 10.383 523 HA ASP 67 HA ASP 67 -6.997 -2.881 12.332 524 HB2 ASP 67 HB2 ASP 67 -6.607 -0.806 11.054 525 HB3 ASP 67 HB3 ASP 67 -8.305 -0.781 10.581 526 H THR 68 H THR 68 -10.027 -1.503 11.494 527 HA THR 68 HA THR 68 -11.472 -3.785 12.728 528 HB THR 68 HB THR 68 -13.325 -2.149 12.979 529 HG1 THR 68 HG1 THR 68 -12.832 0.027 12.599 530 HG21 THR 68 HG21 THR 68 -11.671 -2.484 14.802 531 HG22 THR 68 HG22 THR 68 -10.687 -1.159 14.142 532 HG23 THR 68 HG23 THR 68 -12.320 -0.837 14.763 533 H HIS 69 H HIS 69 -10.754 -2.983 9.592 534 HA HIS 69 HA HIS 69 -13.449 -3.388 8.454 535 HB2 HIS 69 HB2 HIS 69 -10.825 -2.682 7.096 536 HB3 HIS 69 HB3 HIS 69 -12.432 -2.628 6.385 537 HD1 HIS 69 HD1 HIS 69 -13.894 -0.432 6.908 538 HD2 HIS 69 HD2 HIS 69 -10.138 -0.678 8.788 539 HE1 HIS 69 HE1 HIS 69 -13.423 1.881 7.869 540 H LEU 70 H LEU 70 -13.518 -4.694 6.475 541 HA LEU 70 HA LEU 70 -11.540 -6.804 6.078 542 HB2 LEU 70 HB2 LEU 70 -13.176 -7.812 7.714 543 HB3 LEU 70 HB3 LEU 70 -14.461 -7.522 6.543 544 HG LEU 70 HG LEU 70 -13.185 -9.035 4.914 545 HD11 LEU 70 HD11 LEU 70 -10.958 -8.983 6.030 546 HD12 LEU 70 HD12 LEU 70 -11.648 -9.789 7.447 547 HD13 LEU 70 HD13 LEU 70 -11.569 -10.628 5.883 548 HD21 LEU 70 HD21 LEU 70 -14.103 -10.248 7.552 549 HD22 LEU 70 HD22 LEU 70 -15.147 -9.807 6.183 550 HD23 LEU 70 HD23 LEU 70 -13.953 -11.103 6.000 551 H PHE 71 H PHE 71 -11.202 -6.986 3.954 552 HA PHE 71 HA PHE 71 -13.270 -6.068 1.990 553 HB2 PHE 71 HB2 PHE 71 -10.260 -5.669 1.849 554 HB3 PHE 71 HB3 PHE 71 -11.437 -5.199 0.636 555 HD1 PHE 71 HD1 PHE 71 -13.286 -3.489 1.361 556 HD2 PHE 71 HD2 PHE 71 -9.655 -4.173 3.588 557 HE1 PHE 71 HE1 PHE 71 -13.592 -1.324 2.532 558 HE2 PHE 71 HE2 PHE 71 -9.941 -1.974 4.717 559 HZ PHE 71 HZ PHE 71 -11.920 -0.569 4.218 560 H ASP 72 H ASP 72 -13.243 -7.088 -0.072 561 HA ASP 72 HA ASP 72 -12.686 -9.879 0.014 562 HB2 ASP 72 HB2 ASP 72 -14.467 -8.884 -1.343 563 HB3 ASP 72 HB3 ASP 72 -13.277 -8.021 -2.321 564 H ASN 73 H ASN 73 -10.793 -7.191 -1.243 565 HA ASN 73 HA ASN 73 -8.392 -8.814 -1.615 566 HB2 ASN 73 HB2 ASN 73 -8.188 -8.222 -4.034 567 HB3 ASN 73 HB3 ASN 73 -9.551 -9.285 -3.712 568 HD21 ASN 73 HD22 ASN 73 -11.657 -8.573 -4.309 569 HD22 ASN 73 HD21 ASN 73 -11.904 -6.969 -4.992 570 H LEU 74 H LEU 74 -6.597 -7.383 -2.566 571 HA LEU 74 HA LEU 74 -6.209 -5.135 -0.855 572 HB2 LEU 74 HB2 LEU 74 -4.762 -6.090 -3.349 573 HB3 LEU 74 HB3 LEU 74 -4.219 -4.735 -2.363 574 HG LEU 74 HG LEU 74 -4.482 -7.607 -1.406 575 HD11 LEU 74 HD11 LEU 74 -2.625 -7.249 -2.976 576 HD12 LEU 74 HD12 LEU 74 -2.053 -5.881 -1.997 577 HD13 LEU 74 HD13 LEU 74 -2.022 -7.527 -1.332 578 HD21 LEU 74 HD21 LEU 74 -3.455 -5.093 -0.023 579 HD22 LEU 74 HD22 LEU 74 -4.818 -6.105 0.497 580 HD23 LEU 74 HD23 LEU 74 -3.178 -6.745 0.582 581 H ASP 75 H ASP 75 -7.194 -5.214 -4.318 582 HA ASP 75 HA ASP 75 -6.942 -2.386 -4.723 583 HB2 ASP 75 HB2 ASP 75 -7.016 -4.077 -6.529 584 HB3 ASP 75 HB3 ASP 75 -8.703 -4.413 -6.152 585 H ALA 76 H ALA 76 -9.676 -4.363 -3.544 586 HA ALA 76 HA ALA 76 -11.573 -2.224 -3.326 587 HB1 ALA 76 HB1 ALA 76 -12.200 -4.601 -3.268 588 HB2 ALA 76 HB2 ALA 76 -11.317 -4.814 -1.740 589 HB3 ALA 76 HB3 ALA 76 -12.749 -3.768 -1.800 590 H ALA 77 H ALA 77 -9.068 -3.396 -1.028 591 HA ALA 77 HA ALA 77 -9.811 -1.633 1.120 592 HB1 ALA 77 HB1 ALA 77 -8.426 -3.701 1.347 593 HB2 ALA 77 HB2 ALA 77 -7.097 -2.882 0.503 594 HB3 ALA 77 HB3 ALA 77 -7.663 -2.267 2.067 595 H ILE 78 H ILE 78 -7.357 -1.300 -1.500 596 HA ILE 78 HA ILE 78 -6.458 1.335 -0.866 597 HB ILE 78 HB ILE 78 -6.700 -0.143 -3.515 598 HG12 ILE 78 HG12 ILE 78 -5.149 -1.254 -2.015 599 HG13 ILE 78 HG13 ILE 78 -4.286 -0.508 -3.338 600 HG21 ILE 78 HG21 ILE 78 -6.601 2.198 -4.099 601 HG22 ILE 78 HG22 ILE 78 -5.232 2.464 -3.000 602 HG23 ILE 78 HG23 ILE 78 -5.041 1.452 -4.441 603 HD11 ILE 78 HD11 ILE 78 -3.592 1.340 -1.797 604 HD12 ILE 78 HD12 ILE 78 -4.444 0.514 -0.469 605 HD13 ILE 78 HD13 ILE 78 -3.073 -0.262 -1.268 606 H THR 79 H THR 79 -9.078 0.322 -3.033 607 HA THR 79 HA THR 79 -10.024 2.895 -3.765 608 HB THR 79 HB THR 79 -11.648 0.330 -3.521 609 HG1 THR 79 HG1 THR 79 -10.009 0.011 -4.921 610 HG21 THR 79 HG21 THR 79 -13.165 2.236 -3.796 611 HG22 THR 79 HG22 THR 79 -12.156 2.887 -5.107 612 HG23 THR 79 HG23 THR 79 -13.040 1.360 -5.325 613 H PHE 80 H PHE 80 -11.067 0.871 -0.944 614 HA PHE 80 HA PHE 80 -13.034 2.688 0.017 615 HB2 PHE 80 HB2 PHE 80 -12.764 0.391 0.835 616 HB3 PHE 80 HB3 PHE 80 -11.210 0.801 1.553 617 HD1 PHE 80 HD2 PHE 80 -14.884 1.217 1.823 618 HD2 PHE 80 HD1 PHE 80 -11.070 2.164 3.599 619 HE1 PHE 80 HE2 PHE 80 -16.033 2.001 3.882 620 HE2 PHE 80 HE1 PHE 80 -12.220 2.965 5.646 621 HZ PHE 80 HZ PHE 80 -14.708 2.885 5.790 622 H TYR 81 H TYR 81 -9.491 2.583 0.700 623 HA TYR 81 HA TYR 81 -9.646 5.042 2.249 624 HB2 TYR 81 HB2 TYR 81 -7.256 3.464 1.304 625 HB3 TYR 81 HB3 TYR 81 -7.202 4.843 2.405 626 HD1 TYR 81 HD2 TYR 81 -9.150 4.579 4.399 627 HD2 TYR 81 HD1 TYR 81 -6.931 1.436 2.438 628 HE1 TYR 81 HE2 TYR 81 -9.490 3.105 6.373 629 HE2 TYR 81 HE1 TYR 81 -7.291 -0.040 4.411 630 HH TYR 81 HH TYR 81 -9.115 1.055 7.289 631 H MET 82 H MET 82 -9.992 4.747 -0.996 632 HA MET 82 HA MET 82 -8.780 7.427 -1.568 633 HB2 MET 82 HB2 MET 82 -10.132 5.373 -3.364 634 HB3 MET 82 HB3 MET 82 -9.748 7.017 -3.869 635 HG2 MET 82 HG2 MET 82 -7.390 6.668 -3.472 636 HG3 MET 82 HG3 MET 82 -7.683 5.044 -2.847 637 HE1 MET 82 HE1 MET 82 -5.664 6.086 -5.277 638 HE2 MET 82 HE2 MET 82 -5.666 4.493 -4.489 639 HE3 MET 82 HE3 MET 82 -5.755 4.609 -6.263 640 H GLU 83 H GLU 83 -11.907 5.706 -1.310 641 HA GLU 83 HA GLU 83 -13.552 8.075 -1.690 642 HB2 GLU 83 HB2 GLU 83 -14.110 5.311 -0.537 643 HB3 GLU 83 HB3 GLU 83 -15.350 6.536 -0.785 644 HG2 GLU 83 HG2 GLU 83 -13.623 5.363 -3.012 645 HG3 GLU 83 HG3 GLU 83 -15.238 4.815 -2.590 646 H HIS 84 H HIS 84 -12.071 6.557 1.125 647 HA HIS 84 HA HIS 84 -13.131 8.713 2.907 648 HB2 HIS 84 HB2 HIS 84 -12.630 5.802 3.635 649 HB3 HIS 84 HB3 HIS 84 -13.252 7.058 4.699 650 HD1 HIS 84 HD1 HIS 84 -15.828 7.985 3.991 651 HD2 HIS 84 HD2 HIS 84 -14.375 4.476 2.179 652 HE1 HIS 84 HE1 HIS 84 -17.849 6.827 2.956 653 H GLU 85 H GLU 85 -11.728 9.241 4.744 654 HA GLU 85 HA GLU 85 -8.886 9.231 4.041 655 HB2 GLU 85 HB2 GLU 85 -10.326 10.257 6.510 656 HB3 GLU 85 HB3 GLU 85 -8.605 10.484 6.157 657 HG2 GLU 85 HG2 GLU 85 -9.164 11.702 4.082 658 HG3 GLU 85 HG3 GLU 85 -10.887 11.500 4.400 659 H LEU 86 H LEU 86 -7.187 8.208 5.091 660 HA LEU 86 HA LEU 86 -7.840 5.600 6.231 661 HB2 LEU 86 HB2 LEU 86 -6.113 6.208 4.421 662 HB3 LEU 86 HB3 LEU 86 -5.085 6.782 5.719 663 HG LEU 86 HG LEU 86 -6.166 3.956 5.359 664 HD11 LEU 86 HD11 LEU 86 -4.450 4.585 3.736 665 HD12 LEU 86 HD12 LEU 86 -3.374 5.120 5.046 666 HD13 LEU 86 HD13 LEU 86 -3.807 3.404 4.885 667 HD21 LEU 86 HD21 LEU 86 -4.358 5.075 7.516 668 HD22 LEU 86 HD22 LEU 86 -5.904 4.215 7.720 669 HD23 LEU 86 HD23 LEU 86 -4.494 3.342 7.142 670 H GLU 87 H GLU 87 -5.523 8.113 7.254 671 HA GLU 87 HA GLU 87 -6.500 7.923 10.077 672 HB2 GLU 87 HB2 GLU 87 -4.525 6.411 9.787 673 HB3 GLU 87 HB3 GLU 87 -3.584 7.801 9.238 674 HG2 GLU 87 HG2 GLU 87 -3.013 7.408 11.513 675 HG3 GLU 87 HG3 GLU 87 -3.956 8.887 11.475 676 H TYR 88 H TYR 88 -4.110 9.656 8.004 677 HA TYR 88 HA TYR 88 -4.908 12.260 9.255 678 HB2 TYR 88 HB2 TYR 88 -2.534 11.476 7.568 679 HB3 TYR 88 HB3 TYR 88 -2.798 13.064 8.214 680 HD1 TYR 88 HD1 TYR 88 -2.574 13.532 10.643 681 HD2 TYR 88 HD2 TYR 88 -1.665 9.652 8.984 682 HE1 TYR 88 HE1 TYR 88 -1.247 12.974 12.674 683 HE2 TYR 88 HE2 TYR 88 -0.353 9.090 11.025 684 HH TYR 88 HH TYR 88 0.011 11.391 13.749 685 H SER 89 H SER 89 -4.581 10.524 6.143 686 HA SER 89 HA SER 89 -6.596 12.292 4.933 687 HB2 SER 89 HB2 SER 89 -4.188 13.294 4.593 688 HB3 SER 89 HB3 SER 89 -3.991 11.979 3.424 689 HG SER 89 HG SER 89 -5.865 14.123 3.465 690 H SER 90 H SER 90 -6.794 11.612 2.483 691 HA SER 90 HA SER 90 -7.262 8.701 2.305 692 HB2 SER 90 HB2 SER 90 -8.301 9.312 0.136 693 HB3 SER 90 HB3 SER 90 -8.991 10.200 1.505 694 HG SER 90 HG SER 90 -8.540 11.574 -0.274 695 H LEU 91 H LEU 91 -6.633 7.552 0.355 696 HA LEU 91 HA LEU 91 -3.841 7.866 -0.497 697 HB2 LEU 91 HB2 LEU 91 -6.068 6.071 -1.547 698 HB3 LEU 91 HB3 LEU 91 -4.361 5.924 -1.917 699 HG LEU 91 HG LEU 91 -5.731 5.379 0.737 700 HD11 LEU 91 HD11 LEU 91 -5.936 3.645 -1.050 701 HD12 LEU 91 HD12 LEU 91 -4.168 3.579 -1.157 702 HD13 LEU 91 HD13 LEU 91 -4.997 3.075 0.331 703 HD21 LEU 91 HD21 LEU 91 -2.775 5.297 0.087 704 HD22 LEU 91 HD22 LEU 91 -3.574 6.353 1.273 705 HD23 LEU 91 HD23 LEU 91 -3.508 4.610 1.545 706 H LYS 92 H LYS 92 -3.143 8.757 -2.434 707 HA LYS 92 HA LYS 92 -5.220 10.055 -4.185 708 HB2 LYS 92 HB2 LYS 92 -2.639 11.312 -3.210 709 HB3 LYS 92 HB3 LYS 92 -3.884 12.065 -4.220 710 HG2 LYS 92 HG2 LYS 92 -5.523 11.792 -2.326 711 HG3 LYS 92 HG3 LYS 92 -4.202 11.141 -1.342 712 HD2 LYS 92 HD2 LYS 92 -2.962 13.364 -1.923 713 HD3 LYS 92 HD3 LYS 92 -4.568 13.969 -2.339 714 HE2 LYS 92 HE2 LYS 92 -3.708 12.736 0.329 715 HE3 LYS 92 HE3 LYS 92 -3.894 14.464 0.019 716 HZ1 LYS 92 HZ1 LYS 92 -6.271 14.077 -0.352 717 HZ2 LYS 92 HZ2 LYS 92 -6.107 12.467 -0.065 718 HZ3 LYS 92 HZ3 LYS 92 -5.815 13.532 1.128 719 H GLN 93 H GLN 93 -1.837 8.845 -4.138 720 HA GLN 93 HA GLN 93 -2.225 8.052 -6.933 721 HB2 GLN 93 HB2 GLN 93 -0.106 9.041 -7.719 722 HB3 GLN 93 HB3 GLN 93 -1.350 10.221 -7.381 723 HG2 GLN 93 HG2 GLN 93 0.903 9.589 -5.418 724 HG3 GLN 93 HG3 GLN 93 1.064 10.772 -6.699 725 HE21 GLN 93 HE22 GLN 93 1.207 11.206 -3.796 726 HE22 GLN 93 HE21 GLN 93 -0.044 12.386 -3.418 727 HA PRO 94 HA PRO 94 0.399 4.696 -5.501 728 HB2 PRO 94 HB2 PRO 94 1.009 3.444 -7.834 729 HB3 PRO 94 HB3 PRO 94 -0.655 3.441 -7.166 730 HG2 PRO 94 HG2 PRO 94 0.457 5.281 -9.300 731 HG3 PRO 94 HG3 PRO 94 -1.053 4.313 -9.342 732 HD2 PRO 94 HD2 PRO 94 -1.033 6.945 -8.608 733 HD3 PRO 94 HD3 PRO 94 -2.142 5.768 -7.843 734 H LEU 95 H LEU 95 2.634 4.346 -5.236 735 HA LEU 95 HA LEU 95 4.533 6.307 -6.124 736 HB2 LEU 95 HB2 LEU 95 4.837 4.971 -4.080 737 HB3 LEU 95 HB3 LEU 95 4.911 3.493 -5.038 738 HG LEU 95 HG LEU 95 7.010 4.300 -6.118 739 HD11 LEU 95 HD11 LEU 95 6.735 6.761 -5.863 740 HD12 LEU 95 HD12 LEU 95 6.814 6.582 -4.100 741 HD13 LEU 95 HD13 LEU 95 8.229 6.212 -5.107 742 HD21 LEU 95 HD21 LEU 95 7.227 4.392 -3.103 743 HD22 LEU 95 HD22 LEU 95 7.037 2.895 -4.049 744 HD23 LEU 95 HD23 LEU 95 8.472 3.906 -4.271 745 H GLN 96 H GLN 96 6.086 6.248 -7.767 746 HA GLN 96 HA GLN 96 5.358 4.741 -10.164 747 HB2 GLN 96 HB2 GLN 96 7.569 6.764 -9.644 748 HB3 GLN 96 HB3 GLN 96 7.173 6.061 -11.217 749 HG2 GLN 96 HG2 GLN 96 4.865 7.007 -11.051 750 HG3 GLN 96 HG3 GLN 96 5.304 7.787 -9.528 751 HE21 GLN 96 HE22 GLN 96 7.128 9.439 -9.618 752 HE22 GLN 96 HE21 GLN 96 7.330 10.314 -11.130 753 H ARG 97 H ARG 97 6.596 3.270 -11.284 754 HA ARG 97 HA ARG 97 8.663 1.737 -9.788 755 HB2 ARG 97 HB2 ARG 97 7.113 1.149 -12.340 756 HB3 ARG 97 HB3 ARG 97 8.428 0.144 -11.720 757 HG2 ARG 97 HG2 ARG 97 7.184 -0.242 -9.617 758 HG3 ARG 97 HG3 ARG 97 5.835 0.741 -10.222 759 HD2 ARG 97 HD2 ARG 97 5.490 -0.810 -12.087 760 HD3 ARG 97 HD3 ARG 97 6.908 -1.758 -11.598 761 HE ARG 97 HE ARG 97 5.154 -1.665 -9.380 762 HH11 ARG 97 HH11 ARG 97 5.116 -3.127 -12.625 763 HH12 ARG 97 HH12 ARG 97 4.064 -4.407 -12.027 764 HH21 ARG 97 HH21 ARG 97 3.929 -3.424 -8.820 765 HH22 ARG 97 HH22 ARG 97 3.426 -4.549 -10.084 Start of MODEL 4 1 H1 GLY -6 H1 GLY -6 -0.243 11.254 -35.265 2 H2 GLY -6 H2 GLY -6 -1.357 10.062 -35.136 3 H3 GLY -6 H3 GLY -6 -1.580 11.279 -36.212 4 HA2 GLY -6 HA2 GLY -6 -1.791 12.892 -34.434 5 HA3 GLY -6 HA3 GLY -6 -3.015 11.615 -34.321 6 H SER -5 H SER -5 -1.840 13.358 -32.209 7 HA SER -5 HA SER -5 0.127 12.133 -30.662 8 HB2 SER -5 HB2 SER -5 -2.177 13.845 -29.658 9 HB3 SER -5 HB3 SER -5 -0.604 13.609 -28.870 10 HG SER -5 HG SER -5 -0.683 15.559 -30.086 11 H SER -4 H SER -4 -3.303 11.306 -30.694 12 HA SER -4 HA SER -4 -3.306 9.782 -28.238 13 HB2 SER -4 HB2 SER -4 -5.230 9.651 -30.585 14 HB3 SER -4 HB3 SER -4 -5.520 9.063 -28.937 15 HG SER -4 HG SER -4 -6.433 11.141 -29.278 16 H GLY -3 H GLY -3 -1.741 9.026 -31.108 17 HA2 GLY -3 HA2 GLY -3 -2.392 6.241 -31.435 18 HA3 GLY -3 HA3 GLY -3 -1.034 7.114 -32.142 19 H SER -2 H SER -2 -0.700 7.556 -28.847 20 HA SER -2 HA SER -2 1.483 5.666 -28.585 21 HB2 SER -2 HB2 SER -2 1.659 6.587 -26.299 22 HB3 SER -2 HB3 SER -2 1.637 7.835 -27.553 23 HG SER -2 HG SER -2 0.260 8.357 -25.790 24 H SER -1 H SER -1 1.712 4.126 -26.816 25 HA SER -1 HA SER -1 -0.762 2.833 -25.819 26 HB2 SER -1 HB2 SER -1 0.002 0.629 -26.613 27 HB3 SER -1 HB3 SER -1 -0.355 1.740 -27.941 28 HG SER -1 HG SER -1 1.616 0.604 -28.266 29 H GLY 0 H GLY 0 -0.409 1.225 -24.178 30 HA2 GLY 0 HA2 GLY 0 1.593 2.016 -22.220 31 HA3 GLY 0 HA3 GLY 0 0.360 0.775 -22.036 32 H MET 1 H MET 1 2.815 0.393 -20.979 33 HA MET 1 HA MET 1 3.781 -2.017 -22.378 34 HB2 MET 1 HB2 MET 1 5.214 -0.130 -23.178 35 HB3 MET 1 HB3 MET 1 5.662 0.224 -21.505 36 HG2 MET 1 HG2 MET 1 6.716 -1.994 -21.306 37 HG3 MET 1 HG3 MET 1 6.178 -2.412 -22.940 38 HE1 MET 1 HE1 MET 1 9.158 -2.761 -21.899 39 HE2 MET 1 HE2 MET 1 8.626 -3.180 -23.544 40 HE3 MET 1 HE3 MET 1 10.067 -2.170 -23.307 41 H ALA 2 H ALA 2 4.661 -3.556 -20.967 42 HA ALA 2 HA ALA 2 4.695 -4.773 -19.057 43 HB1 ALA 2 HB1 ALA 2 6.827 -3.569 -18.981 44 HB2 ALA 2 HB2 ALA 2 6.079 -2.271 -18.022 45 HB3 ALA 2 HB3 ALA 2 6.222 -3.910 -17.348 46 H GLU 3 H GLU 3 2.196 -4.107 -19.307 47 HA GLU 3 HA GLU 3 1.138 -2.554 -17.085 48 HB2 GLU 3 HB2 GLU 3 -0.995 -2.807 -18.179 49 HB3 GLU 3 HB3 GLU 3 0.245 -2.351 -19.342 50 HG2 GLU 3 HG2 GLU 3 0.400 -4.713 -20.115 51 HG3 GLU 3 HG3 GLU 3 -0.828 -5.183 -18.941 52 H ALA 4 H ALA 4 2.230 -5.610 -16.912 53 HA ALA 4 HA ALA 4 0.066 -6.983 -15.582 54 HB1 ALA 4 HB1 ALA 4 1.877 -8.161 -16.759 55 HB2 ALA 4 HB2 ALA 4 3.065 -7.520 -15.597 56 HB3 ALA 4 HB3 ALA 4 1.802 -8.646 -15.054 57 H ALA 5 H ALA 5 -0.140 -7.535 -13.425 58 HA ALA 5 HA ALA 5 -0.492 -7.121 -11.263 59 HB1 ALA 5 HB1 ALA 5 1.874 -7.809 -11.097 60 HB2 ALA 5 HB2 ALA 5 2.363 -6.100 -11.148 61 HB3 ALA 5 HB3 ALA 5 1.385 -6.707 -9.800 62 H ALA 6 H ALA 6 -0.485 -5.439 -9.415 63 HA ALA 6 HA ALA 6 -1.869 -3.110 -10.419 64 HB1 ALA 6 HB1 ALA 6 -2.592 -4.312 -8.399 65 HB2 ALA 6 HB2 ALA 6 -1.069 -3.882 -7.583 66 HB3 ALA 6 HB3 ALA 6 -2.222 -2.617 -8.047 67 HA PRO 7 HA PRO 7 1.587 -0.390 -10.769 68 HB2 PRO 7 HB2 PRO 7 0.465 2.102 -10.503 69 HB3 PRO 7 HB3 PRO 7 0.180 1.035 -11.910 70 HG2 PRO 7 HG2 PRO 7 -1.568 1.369 -9.451 71 HG3 PRO 7 HG3 PRO 7 -2.061 1.433 -11.174 72 HD2 PRO 7 HD2 PRO 7 -2.338 -0.837 -9.718 73 HD3 PRO 7 HD3 PRO 7 -1.815 -0.910 -11.428 74 H TRP 8 H TRP 8 -0.328 -0.218 -7.827 75 HA TRP 8 HA TRP 8 1.720 1.226 -6.287 76 HB2 TRP 8 HB2 TRP 8 -0.025 0.624 -4.418 77 HB3 TRP 8 HB3 TRP 8 -0.321 1.891 -5.565 78 HD1 TRP 8 HD1 TRP 8 -2.401 1.730 -7.083 79 HE1 TRP 8 HE1 TRP 8 -4.390 0.120 -7.276 80 HE3 TRP 8 HE3 TRP 8 -0.624 -2.102 -4.202 81 HZ2 TRP 8 HZ2 TRP 8 -5.122 -2.482 -6.300 82 HZ3 TRP 8 HZ3 TRP 8 -2.020 -4.129 -3.802 83 HH2 TRP 8 HH2 TRP 8 -4.252 -4.337 -4.871 84 H TYR 9 H TYR 9 1.547 -2.035 -7.229 85 HA TYR 9 HA TYR 9 2.448 -3.057 -4.601 86 HB2 TYR 9 HB2 TYR 9 0.810 -4.319 -5.932 87 HB3 TYR 9 HB3 TYR 9 2.012 -4.532 -7.203 88 HD1 TYR 9 HD2 TYR 9 1.459 -5.105 -3.523 89 HD2 TYR 9 HD1 TYR 9 3.464 -6.423 -7.112 90 HE1 TYR 9 HE2 TYR 9 2.289 -7.126 -2.324 91 HE2 TYR 9 HE1 TYR 9 4.260 -8.454 -5.919 92 HH TYR 9 HH TYR 9 4.257 -9.637 -3.957 93 H HIS 10 H HIS 10 4.461 -3.368 -4.016 94 HA HIS 10 HA HIS 10 6.675 -3.202 -6.032 95 HB2 HIS 10 HB2 HIS 10 6.410 -1.975 -3.275 96 HB3 HIS 10 HB3 HIS 10 7.968 -2.173 -4.071 97 HD1 HIS 10 HD1 HIS 10 8.627 -0.411 -5.900 98 HD2 HIS 10 HD2 HIS 10 4.614 -0.304 -4.668 99 HE1 HIS 10 HE1 HIS 10 7.597 1.652 -6.999 100 H GLY 11 H GLY 11 5.262 -5.597 -4.386 101 HA2 GLY 11 HA2 GLY 11 6.022 -7.724 -3.810 102 HA3 GLY 11 HA3 GLY 11 7.547 -7.290 -4.553 103 HA PRO 12 HA PRO 12 8.393 -7.787 -0.046 104 HB2 PRO 12 HB2 PRO 12 10.738 -9.137 -0.137 105 HB3 PRO 12 HB3 PRO 12 9.190 -9.896 -0.597 106 HG2 PRO 12 HG2 PRO 12 11.233 -8.624 -2.454 107 HG3 PRO 12 HG3 PRO 12 10.512 -10.263 -2.567 108 HD2 PRO 12 HD2 PRO 12 9.521 -8.121 -3.953 109 HD3 PRO 12 HD3 PRO 12 8.453 -9.407 -3.314 110 H LEU 13 H LEU 13 8.484 -5.304 -0.844 111 HA LEU 13 HA LEU 13 11.112 -4.062 -0.641 112 HB2 LEU 13 HB2 LEU 13 8.975 -3.166 -1.832 113 HB3 LEU 13 HB3 LEU 13 8.416 -2.735 -0.220 114 HG LEU 13 HG LEU 13 10.494 -1.311 0.046 115 HD11 LEU 13 HD11 LEU 13 11.960 -2.276 -1.660 116 HD12 LEU 13 HD12 LEU 13 10.755 -1.959 -2.928 117 HD13 LEU 13 HD13 LEU 13 11.584 -0.614 -2.130 118 HD21 LEU 13 HD21 LEU 13 8.672 -0.615 -2.292 119 HD22 LEU 13 HD22 LEU 13 8.281 -0.377 -0.577 120 HD23 LEU 13 HD23 LEU 13 9.618 0.523 -1.309 121 H SER 14 H SER 14 12.070 -3.131 1.168 122 HA SER 14 HA SER 14 11.017 -3.866 3.832 123 HB2 SER 14 HB2 SER 14 13.629 -2.567 2.981 124 HB3 SER 14 HB3 SER 14 13.204 -3.026 4.641 125 HG SER 14 HG SER 14 14.445 -4.643 3.546 126 H ARG 15 H ARG 15 10.949 -2.335 5.603 127 HA ARG 15 HA ARG 15 9.380 -0.021 5.198 128 HB2 ARG 15 HB2 ARG 15 11.193 -0.965 7.442 129 HB3 ARG 15 HB3 ARG 15 10.622 0.696 7.448 130 HG2 ARG 15 HG2 ARG 15 8.240 -0.197 7.196 131 HG3 ARG 15 HG3 ARG 15 8.924 -1.811 7.485 132 HD2 ARG 15 HD2 ARG 15 8.092 -0.894 9.584 133 HD3 ARG 15 HD3 ARG 15 9.871 -0.969 9.643 134 HE ARG 15 HE ARG 15 9.418 1.593 8.735 135 HH11 ARG 15 HH11 ARG 15 8.181 0.007 11.622 136 HH12 ARG 15 HH12 ARG 15 8.133 1.519 12.489 137 HH21 ARG 15 HH21 ARG 15 9.419 3.313 9.816 138 HH22 ARG 15 HH22 ARG 15 8.818 3.417 11.474 139 H THR 16 H THR 16 12.913 0.002 5.842 140 HA THR 16 HA THR 16 13.253 2.736 5.619 141 HB THR 16 HB THR 16 15.346 0.766 4.636 142 HG1 THR 16 HG1 THR 16 15.878 0.527 6.817 143 HG21 THR 16 HG21 THR 16 16.008 3.126 4.490 144 HG22 THR 16 HG22 THR 16 15.470 3.411 6.162 145 HG23 THR 16 HG23 THR 16 16.873 2.363 5.829 146 H ASP 17 H ASP 17 13.176 0.437 2.898 147 HA ASP 17 HA ASP 17 13.862 2.378 0.845 148 HB2 ASP 17 HB2 ASP 17 12.571 -0.375 0.812 149 HB3 ASP 17 HB3 ASP 17 12.841 0.566 -0.643 150 H ALA 18 H ALA 18 10.742 1.071 2.090 151 HA ALA 18 HA ALA 18 9.048 2.582 0.347 152 HB1 ALA 18 HB1 ALA 18 8.303 0.609 1.638 153 HB2 ALA 18 HB2 ALA 18 8.557 1.487 3.158 154 HB3 ALA 18 HB3 ALA 18 7.305 2.026 2.029 155 H GLU 19 H GLU 19 10.346 3.323 3.599 156 HA GLU 19 HA GLU 19 9.038 5.852 3.902 157 HB2 GLU 19 HB2 GLU 19 11.511 4.689 5.236 158 HB3 GLU 19 HB3 GLU 19 10.777 6.237 5.674 159 HG2 GLU 19 HG2 GLU 19 8.624 5.074 6.152 160 HG3 GLU 19 HG3 GLU 19 9.381 3.533 5.788 161 H ASN 20 H ASN 20 12.358 5.089 2.670 162 HA ASN 20 HA ASN 20 12.991 7.872 2.183 163 HB2 ASN 20 HB2 ASN 20 14.161 5.230 1.258 164 HB3 ASN 20 HB3 ASN 20 14.667 6.738 0.507 165 HD21 ASN 20 HD22 ASN 20 14.633 4.978 3.576 166 HD22 ASN 20 HD21 ASN 20 15.863 5.998 4.335 167 H SER 21 H SER 21 11.322 5.427 0.186 168 HA SER 21 HA SER 21 11.243 7.023 -2.212 169 HB2 SER 21 HB2 SER 21 9.301 4.870 -1.279 170 HB3 SER 21 HB3 SER 21 9.418 5.557 -2.909 171 HG SER 21 HG SER 21 11.335 3.997 -1.508 172 H LEU 22 H LEU 22 8.838 6.645 0.456 173 HA LEU 22 HA LEU 22 7.039 8.581 -0.759 174 HB2 LEU 22 HB2 LEU 22 7.068 6.835 1.657 175 HB3 LEU 22 HB3 LEU 22 6.063 8.259 1.728 176 HG LEU 22 HG LEU 22 4.735 7.608 -0.114 177 HD11 LEU 22 HD11 LEU 22 6.301 6.612 -1.677 178 HD12 LEU 22 HD12 LEU 22 6.636 5.275 -0.546 179 HD13 LEU 22 HD13 LEU 22 5.035 5.430 -1.308 180 HD21 LEU 22 HD21 LEU 22 5.291 5.138 1.587 181 HD22 LEU 22 HD22 LEU 22 4.428 6.580 2.154 182 HD23 LEU 22 HD23 LEU 22 3.753 5.607 0.823 183 H LEU 23 H LEU 23 9.574 8.902 1.730 184 HA LEU 23 HA LEU 23 8.818 11.520 2.604 185 HB2 LEU 23 HB2 LEU 23 10.411 10.025 3.756 186 HB3 LEU 23 HB3 LEU 23 11.544 10.175 2.409 187 HG LEU 23 HG LEU 23 11.838 12.588 2.931 188 HD11 LEU 23 HD11 LEU 23 9.667 13.119 3.969 189 HD12 LEU 23 HD12 LEU 23 10.008 11.994 5.305 190 HD13 LEU 23 HD13 LEU 23 10.978 13.469 5.096 191 HD21 LEU 23 HD21 LEU 23 12.224 10.744 5.322 192 HD22 LEU 23 HD22 LEU 23 13.320 10.894 3.930 193 HD23 LEU 23 HD23 LEU 23 13.083 12.271 5.020 194 H ARG 24 H ARG 24 10.433 10.434 -0.314 195 HA ARG 24 HA ARG 24 11.134 13.163 -1.210 196 HB2 ARG 24 HB2 ARG 24 11.379 10.415 -2.503 197 HB3 ARG 24 HB3 ARG 24 11.906 11.920 -3.269 198 HG2 ARG 24 HG2 ARG 24 13.523 12.349 -1.497 199 HG3 ARG 24 HG3 ARG 24 12.966 10.943 -0.579 200 HD2 ARG 24 HD2 ARG 24 13.631 9.457 -2.456 201 HD3 ARG 24 HD3 ARG 24 14.263 10.847 -3.337 202 HE ARG 24 HE ARG 24 15.416 9.510 -0.970 203 HH11 ARG 24 HH11 ARG 24 15.683 12.352 -3.008 204 HH12 ARG 24 HH12 ARG 24 17.302 12.697 -2.462 205 HH21 ARG 24 HH21 ARG 24 17.474 10.011 -0.324 206 HH22 ARG 24 HH22 ARG 24 18.283 11.401 -0.985 207 H MET 25 H MET 25 8.308 11.302 -1.274 208 HA MET 25 HA MET 25 7.209 12.613 -3.709 209 HB2 MET 25 HB2 MET 25 6.328 10.251 -2.014 210 HB3 MET 25 HB3 MET 25 5.320 10.933 -3.266 211 HG2 MET 25 HG2 MET 25 8.117 9.923 -3.724 212 HG3 MET 25 HG3 MET 25 6.688 8.955 -3.992 213 HE1 MET 25 HE1 MET 25 5.257 8.989 -6.158 214 HE2 MET 25 HE2 MET 25 4.598 10.509 -5.514 215 HE3 MET 25 HE3 MET 25 5.116 10.415 -7.211 216 HA PRO 26 HA PRO 26 4.519 15.254 -1.284 217 HB2 PRO 26 HB2 PRO 26 2.221 15.370 -2.755 218 HB3 PRO 26 HB3 PRO 26 3.758 16.130 -3.286 219 HG2 PRO 26 HG2 PRO 26 2.632 13.441 -4.076 220 HG3 PRO 26 HG3 PRO 26 3.265 14.728 -5.159 221 HD2 PRO 26 HD2 PRO 26 4.779 12.610 -4.401 222 HD3 PRO 26 HD3 PRO 26 5.517 14.216 -4.575 223 H GLU 27 H GLU 27 2.513 15.266 -0.042 224 HA GLU 27 HA GLU 27 1.907 12.870 1.362 225 HB2 GLU 27 HB2 GLU 27 1.614 15.105 2.293 226 HB3 GLU 27 HB3 GLU 27 0.354 15.476 1.107 227 HG2 GLU 27 HG2 GLU 27 -1.135 13.807 2.089 228 HG3 GLU 27 HG3 GLU 27 0.164 13.214 3.126 229 H GLY 28 H GLY 28 0.402 11.339 1.238 230 HA2 GLY 28 HA2 GLY 28 -1.552 10.250 0.546 231 HA3 GLY 28 HA3 GLY 28 -1.779 11.483 -0.695 232 H THR 29 H THR 29 1.383 10.435 -0.897 233 HA THR 29 HA THR 29 0.907 8.650 -3.190 234 HB THR 29 HB THR 29 3.586 9.325 -1.875 235 HG1 THR 29 HG1 THR 29 2.821 11.196 -2.692 236 HG21 THR 29 HG21 THR 29 3.584 7.275 -3.272 237 HG22 THR 29 HG22 THR 29 2.851 8.191 -4.612 238 HG23 THR 29 HG23 THR 29 4.478 8.589 -4.017 239 H PHE 30 H PHE 30 0.771 6.422 -3.017 240 HA PHE 30 HA PHE 30 1.713 5.181 -0.478 241 HB2 PHE 30 HB2 PHE 30 -0.328 3.994 -0.244 242 HB3 PHE 30 HB3 PHE 30 -0.710 5.694 -0.420 243 HD1 PHE 30 HD1 PHE 30 -1.808 6.531 -2.505 244 HD2 PHE 30 HD2 PHE 30 -0.898 2.366 -1.958 245 HE1 PHE 30 HE1 PHE 30 -3.224 5.965 -4.466 246 HE2 PHE 30 HE2 PHE 30 -2.372 1.789 -3.873 247 HZ PHE 30 HZ PHE 30 -3.463 3.587 -5.185 248 H LEU 31 H LEU 31 1.823 2.884 -0.466 249 HA LEU 31 HA LEU 31 2.070 1.461 -3.012 250 HB2 LEU 31 HB2 LEU 31 4.362 0.771 -2.720 251 HB3 LEU 31 HB3 LEU 31 4.261 2.509 -2.778 252 HG LEU 31 HG LEU 31 4.391 2.411 -0.168 253 HD11 LEU 31 HD11 LEU 31 4.175 -0.030 0.233 254 HD12 LEU 31 HD12 LEU 31 5.514 -0.349 -0.889 255 HD13 LEU 31 HD13 LEU 31 5.793 0.494 0.649 256 HD21 LEU 31 HD21 LEU 31 6.763 1.589 -1.890 257 HD22 LEU 31 HD22 LEU 31 6.141 3.237 -1.663 258 HD23 LEU 31 HD23 LEU 31 6.834 2.376 -0.295 259 H VAL 32 H VAL 32 2.270 -0.846 -2.728 260 HA VAL 32 HA VAL 32 1.719 -1.849 0.017 261 HB VAL 32 HB VAL 32 0.466 -2.980 -2.492 262 HG11 VAL 32 HG11 VAL 32 0.889 -4.764 -0.874 263 HG12 VAL 32 HG12 VAL 32 0.201 -3.778 0.440 264 HG13 VAL 32 HG13 VAL 32 -0.831 -4.377 -0.872 265 HG21 VAL 32 HG21 VAL 32 -0.760 -1.459 -0.140 266 HG22 VAL 32 HG22 VAL 32 -0.634 -0.872 -1.812 267 HG23 VAL 32 HG23 VAL 32 -1.675 -2.250 -1.444 268 H ARG 33 H ARG 33 2.880 -3.516 0.680 269 HA ARG 33 HA ARG 33 4.782 -4.872 -1.180 270 HB2 ARG 33 HB2 ARG 33 6.632 -4.431 0.353 271 HB3 ARG 33 HB3 ARG 33 5.888 -2.913 -0.147 272 HG2 ARG 33 HG2 ARG 33 4.558 -3.020 2.073 273 HG3 ARG 33 HG3 ARG 33 5.643 -4.341 2.527 274 HD2 ARG 33 HD2 ARG 33 7.570 -2.682 2.091 275 HD3 ARG 33 HD3 ARG 33 6.343 -1.441 1.916 276 HE ARG 33 HE ARG 33 5.950 -1.459 4.204 277 HH11 ARG 33 HH11 ARG 33 8.150 -4.143 3.513 278 HH12 ARG 33 HH12 ARG 33 8.261 -4.553 5.219 279 HH21 ARG 33 HH21 ARG 33 6.216 -2.098 6.348 280 HH22 ARG 33 HH22 ARG 33 7.237 -3.468 6.705 281 H ASP 34 H ASP 34 5.631 -6.870 -0.419 282 HA ASP 34 HA ASP 34 3.861 -8.502 1.263 283 HB2 ASP 34 HB2 ASP 34 5.040 -9.544 -0.567 284 HB3 ASP 34 HB3 ASP 34 6.590 -8.988 0.039 285 H SER 35 H SER 35 4.055 -8.972 3.414 286 HA SER 35 HA SER 35 5.265 -6.938 4.969 287 HB2 SER 35 HB2 SER 35 3.219 -7.946 5.695 288 HB3 SER 35 HB3 SER 35 3.980 -9.540 5.801 289 HG SER 35 HG SER 35 3.783 -8.209 7.823 290 H THR 36 H THR 36 7.023 -6.680 6.036 291 HA THR 36 HA THR 36 9.233 -8.572 5.952 292 HB THR 36 HB THR 36 10.232 -6.631 7.470 293 HG1 THR 36 HG1 THR 36 8.500 -5.378 7.838 294 HG21 THR 36 HG21 THR 36 10.954 -7.122 5.186 295 HG22 THR 36 HG22 THR 36 9.543 -6.274 4.525 296 HG23 THR 36 HG23 THR 36 10.789 -5.381 5.439 297 H SER 37 H SER 37 6.586 -8.270 8.102 298 HA SER 37 HA SER 37 8.118 -9.702 10.244 299 HB2 SER 37 HB2 SER 37 6.336 -9.199 11.747 300 HB3 SER 37 HB3 SER 37 6.886 -7.707 10.977 301 HG SER 37 HG SER 37 4.546 -9.227 10.357 302 H SER 38 H SER 38 5.428 -10.054 7.972 303 HA SER 38 HA SER 38 5.050 -12.910 8.822 304 HB2 SER 38 HB2 SER 38 2.856 -10.869 8.341 305 HB3 SER 38 HB3 SER 38 2.659 -12.576 8.792 306 HG SER 38 HG SER 38 2.495 -11.219 10.612 307 HA PRO 39 HA PRO 39 5.612 -12.816 4.232 308 HB2 PRO 39 HB2 PRO 39 6.087 -15.727 4.905 309 HB3 PRO 39 HB3 PRO 39 6.915 -14.701 3.690 310 HG2 PRO 39 HG2 PRO 39 8.102 -15.182 6.072 311 HG3 PRO 39 HG3 PRO 39 8.104 -13.514 5.407 312 HD2 PRO 39 HD2 PRO 39 6.280 -14.692 7.521 313 HD3 PRO 39 HD3 PRO 39 7.122 -13.113 7.507 314 H GLY 40 H GLY 40 4.018 -13.089 2.767 315 HA2 GLY 40 HA2 GLY 40 2.157 -14.125 1.710 316 HA3 GLY 40 HA3 GLY 40 1.801 -15.039 3.175 317 H ASP 41 H ASP 41 2.235 -12.238 4.624 318 HA ASP 41 HA ASP 41 -0.459 -11.058 4.056 319 HB2 ASP 41 HB2 ASP 41 1.370 -10.649 6.450 320 HB3 ASP 41 HB3 ASP 41 -0.185 -9.880 6.190 321 H TYR 42 H TYR 42 -0.481 -8.614 4.073 322 HA TYR 42 HA TYR 42 1.979 -7.545 2.728 323 HB2 TYR 42 HB2 TYR 42 -0.884 -6.943 1.944 324 HB3 TYR 42 HB3 TYR 42 0.574 -6.358 1.170 325 HD1 TYR 42 HD2 TYR 42 2.060 -7.962 -0.065 326 HD2 TYR 42 HD1 TYR 42 -1.783 -9.128 1.499 327 HE1 TYR 42 HE2 TYR 42 2.076 -9.977 -1.534 328 HE2 TYR 42 HE1 TYR 42 -1.767 -11.150 0.038 329 HH TYR 42 HH TYR 42 0.953 -11.860 -2.192 330 H VAL 43 H VAL 43 2.022 -5.127 2.612 331 HA VAL 43 HA VAL 43 0.746 -3.775 4.949 332 HB VAL 43 HB VAL 43 3.672 -3.385 4.231 333 HG11 VAL 43 HG11 VAL 43 2.609 -1.444 5.330 334 HG12 VAL 43 HG12 VAL 43 2.012 -2.500 6.631 335 HG13 VAL 43 HG13 VAL 43 3.750 -2.232 6.421 336 HG21 VAL 43 HG21 VAL 43 2.497 -5.039 6.496 337 HG22 VAL 43 HG22 VAL 43 3.481 -5.626 5.142 338 HG23 VAL 43 HG23 VAL 43 4.207 -4.564 6.351 339 H LEU 44 H LEU 44 -0.137 -1.901 4.437 340 HA LEU 44 HA LEU 44 0.352 -0.569 1.825 341 HB2 LEU 44 HB2 LEU 44 -1.989 -0.923 2.470 342 HB3 LEU 44 HB3 LEU 44 -1.705 -0.208 4.038 343 HG LEU 44 HG LEU 44 -1.363 2.004 3.027 344 HD11 LEU 44 HD11 LEU 44 -0.422 1.559 0.880 345 HD12 LEU 44 HD12 LEU 44 -1.845 0.615 0.381 346 HD13 LEU 44 HD13 LEU 44 -1.965 2.371 0.631 347 HD21 LEU 44 HD21 LEU 44 -3.874 0.619 1.975 348 HD22 LEU 44 HD22 LEU 44 -3.657 1.220 3.634 349 HD23 LEU 44 HD23 LEU 44 -3.682 2.355 2.275 350 H SER 45 H SER 45 1.844 1.007 1.793 351 HA SER 45 HA SER 45 2.445 2.502 4.313 352 HB2 SER 45 HB2 SER 45 4.349 2.098 2.003 353 HB3 SER 45 HB3 SER 45 4.679 2.911 3.540 354 HG SER 45 HG SER 45 3.994 0.164 3.168 355 H CYS 46 H CYS 46 2.242 4.727 4.249 356 HA CYS 46 HA CYS 46 1.583 6.027 1.643 357 HB2 CYS 46 HB2 CYS 46 -0.495 5.136 2.788 358 HB3 CYS 46 HB3 CYS 46 -0.157 6.265 4.120 359 HG CYS 46 HG CYS 46 -2.051 7.245 2.581 360 H SER 47 H SER 47 2.144 8.250 1.489 361 HA SER 47 HA SER 47 3.729 9.393 3.667 362 HB2 SER 47 HB2 SER 47 3.846 11.328 2.115 363 HB3 SER 47 HB3 SER 47 4.545 9.836 1.486 364 HG SER 47 HG SER 47 3.172 11.067 0.015 365 H GLU 48 H GLU 48 2.749 10.200 5.332 366 HA GLU 48 HA GLU 48 0.312 11.925 5.021 367 HB2 GLU 48 HB2 GLU 48 0.546 9.612 6.985 368 HB3 GLU 48 HB3 GLU 48 -0.630 10.897 7.075 369 HG2 GLU 48 HG2 GLU 48 -1.545 10.247 4.855 370 HG3 GLU 48 HG3 GLU 48 -0.424 8.876 4.822 371 H ASN 49 H ASN 49 0.257 13.717 6.305 372 HA ASN 49 HA ASN 49 0.782 15.233 7.869 373 HB2 ASN 49 HB2 ASN 49 -0.377 13.561 9.181 374 HB3 ASN 49 HB3 ASN 49 1.121 12.704 9.524 375 HD21 ASN 49 HD22 ASN 49 -0.320 16.009 9.941 376 HD22 ASN 49 HD21 ASN 49 0.378 16.211 11.540 377 H GLY 50 H GLY 50 2.903 14.702 6.111 378 HA2 GLY 50 HA2 GLY 50 5.069 15.439 5.791 379 HA3 GLY 50 HA3 GLY 50 5.107 15.989 7.468 380 H LYS 51 H LYS 51 4.282 12.706 7.327 381 HA LYS 51 HA LYS 51 7.066 11.657 7.454 382 HB2 LYS 51 HB2 LYS 51 6.498 10.344 9.434 383 HB3 LYS 51 HB3 LYS 51 6.369 12.063 9.756 384 HG2 LYS 51 HG2 LYS 51 3.945 11.990 9.706 385 HG3 LYS 51 HG3 LYS 51 3.954 10.310 9.128 386 HD2 LYS 51 HD2 LYS 51 4.987 9.553 11.199 387 HD3 LYS 51 HD3 LYS 51 5.072 11.203 11.825 388 HE2 LYS 51 HE2 LYS 51 2.408 10.023 10.959 389 HE3 LYS 51 HE3 LYS 51 3.112 9.544 12.504 390 HZ1 LYS 51 HZ1 LYS 51 3.148 11.872 13.176 391 HZ2 LYS 51 HZ2 LYS 51 2.471 12.361 11.772 392 HZ3 LYS 51 HZ3 LYS 51 1.631 11.414 12.798 393 H VAL 52 H VAL 52 6.506 9.034 7.901 394 HA VAL 52 HA VAL 52 4.659 8.206 5.700 395 HB VAL 52 HB VAL 52 7.365 6.974 6.296 396 HG11 VAL 52 HG11 VAL 52 5.800 5.231 5.603 397 HG12 VAL 52 HG12 VAL 52 5.190 6.247 4.283 398 HG13 VAL 52 HG13 VAL 52 6.841 5.607 4.231 399 HG21 VAL 52 HG21 VAL 52 6.328 8.649 3.971 400 HG22 VAL 52 HG22 VAL 52 7.657 9.051 5.073 401 HG23 VAL 52 HG23 VAL 52 7.850 7.730 3.929 402 H THR 53 H THR 53 3.243 6.707 6.160 403 HA THR 53 HA THR 53 3.223 5.433 8.862 404 HB THR 53 HB THR 53 0.750 5.401 8.543 405 HG1 THR 53 HG1 THR 53 -0.039 6.886 6.919 406 HG21 THR 53 HG21 THR 53 1.819 7.203 9.859 407 HG22 THR 53 HG22 THR 53 1.991 8.186 8.389 408 HG23 THR 53 HG23 THR 53 0.376 7.779 9.006 409 H HIS 54 H HIS 54 2.219 3.329 9.017 410 HA HIS 54 HA HIS 54 2.231 1.665 6.549 411 HB2 HIS 54 HB2 HIS 54 3.698 0.916 9.100 412 HB3 HIS 54 HB3 HIS 54 3.603 -0.021 7.616 413 HD1 HIS 54 HD1 HIS 54 4.977 1.218 5.420 414 HD2 HIS 54 HD2 HIS 54 5.704 2.562 9.348 415 HE1 HIS 54 HE1 HIS 54 7.217 2.424 5.366 416 H TYR 55 H TYR 55 0.644 0.202 6.500 417 HA TYR 55 HA TYR 55 -0.903 -0.498 8.968 418 HB2 TYR 55 HB2 TYR 55 -2.051 0.249 6.250 419 HB3 TYR 55 HB3 TYR 55 -2.946 -0.110 7.725 420 HD1 TYR 55 HD1 TYR 55 -2.638 1.468 9.753 421 HD2 TYR 55 HD2 TYR 55 -1.341 2.460 5.757 422 HE1 TYR 55 HE1 TYR 55 -2.546 3.883 10.374 423 HE2 TYR 55 HE2 TYR 55 -1.283 4.866 6.370 424 HH TYR 55 HH TYR 55 -1.746 6.446 8.014 425 H LYS 56 H LYS 56 -1.168 -2.683 9.183 426 HA LYS 56 HA LYS 56 -0.197 -4.394 7.012 427 HB2 LYS 56 HB2 LYS 56 -1.168 -5.179 9.777 428 HB3 LYS 56 HB3 LYS 56 -0.387 -6.233 8.588 429 HG2 LYS 56 HG2 LYS 56 1.584 -4.592 8.593 430 HG3 LYS 56 HG3 LYS 56 0.828 -3.817 9.991 431 HD2 LYS 56 HD2 LYS 56 0.929 -6.003 11.214 432 HD3 LYS 56 HD3 LYS 56 1.760 -6.717 9.810 433 HE2 LYS 56 HE2 LYS 56 3.537 -4.947 10.021 434 HE3 LYS 56 HE3 LYS 56 2.723 -4.338 11.469 435 HZ1 LYS 56 HZ1 LYS 56 3.085 -6.586 12.457 436 HZ2 LYS 56 HZ2 LYS 56 3.970 -7.018 11.141 437 HZ3 LYS 56 HZ3 LYS 56 4.486 -5.819 12.114 438 H LEU 57 H LEU 57 -1.182 -5.732 5.773 439 HA LEU 57 HA LEU 57 -4.172 -5.844 5.631 440 HB2 LEU 57 HB2 LEU 57 -1.975 -6.154 3.567 441 HB3 LEU 57 HB3 LEU 57 -3.660 -6.474 3.213 442 HG LEU 57 HG LEU 57 -2.987 -3.770 4.332 443 HD11 LEU 57 HD11 LEU 57 -1.180 -4.002 2.762 444 HD12 LEU 57 HD12 LEU 57 -2.235 -4.714 1.539 445 HD13 LEU 57 HD13 LEU 57 -2.418 -3.009 1.970 446 HD21 LEU 57 HD21 LEU 57 -4.759 -4.621 2.008 447 HD22 LEU 57 HD22 LEU 57 -5.321 -4.442 3.681 448 HD23 LEU 57 HD23 LEU 57 -4.719 -3.030 2.793 449 H SER 58 H SER 58 -4.476 -7.552 6.969 450 HA SER 58 HA SER 58 -2.802 -9.973 6.909 451 HB2 SER 58 HB2 SER 58 -5.211 -9.193 8.584 452 HB3 SER 58 HB3 SER 58 -4.294 -10.696 8.774 453 HG SER 58 HG SER 58 -3.565 -9.044 10.204 454 H ALA 59 H ALA 59 -3.310 -11.905 6.005 455 HA ALA 59 HA ALA 59 -5.716 -12.179 4.369 456 HB1 ALA 59 HB1 ALA 59 -3.578 -13.097 3.621 457 HB2 ALA 59 HB2 ALA 59 -3.508 -14.155 5.050 458 HB3 ALA 59 HB3 ALA 59 -4.780 -14.386 3.829 459 H GLU 60 H GLU 60 -7.620 -12.801 5.080 460 HA GLU 60 HA GLU 60 -7.931 -14.591 7.463 461 HB2 GLU 60 HB2 GLU 60 -8.303 -12.178 7.999 462 HB3 GLU 60 HB3 GLU 60 -9.586 -12.120 6.784 463 HG2 GLU 60 HG2 GLU 60 -10.788 -13.941 8.046 464 HG3 GLU 60 HG3 GLU 60 -9.520 -13.888 9.274 465 H GLU 61 H GLU 61 -8.583 -16.459 6.539 466 HA GLU 61 HA GLU 61 -9.518 -17.962 5.123 467 HB2 GLU 61 HB2 GLU 61 -11.961 -16.189 5.380 468 HB3 GLU 61 HB3 GLU 61 -11.929 -17.870 4.827 469 HG2 GLU 61 HG2 GLU 61 -10.933 -18.535 7.042 470 HG3 GLU 61 HG3 GLU 61 -11.176 -16.881 7.609 471 H GLY 62 H GLY 62 -8.018 -15.963 3.831 472 HA2 GLY 62 HA2 GLY 62 -7.296 -15.731 1.613 473 HA3 GLY 62 HA3 GLY 62 -8.834 -16.358 1.025 474 H LYS 63 H LYS 63 -9.677 -13.982 3.186 475 HA LYS 63 HA LYS 63 -9.784 -11.796 1.138 476 HB2 LYS 63 HB2 LYS 63 -11.527 -12.317 3.586 477 HB3 LYS 63 HB3 LYS 63 -11.656 -10.921 2.521 478 HG2 LYS 63 HG2 LYS 63 -11.928 -12.593 0.580 479 HG3 LYS 63 HG3 LYS 63 -12.165 -13.834 1.826 480 HD2 LYS 63 HD2 LYS 63 -14.044 -12.398 2.756 481 HD3 LYS 63 HD3 LYS 63 -13.869 -11.348 1.351 482 HE2 LYS 63 HE2 LYS 63 -14.661 -14.290 1.390 483 HE3 LYS 63 HE3 LYS 63 -15.694 -12.917 0.993 484 HZ1 LYS 63 HZ1 LYS 63 -14.253 -12.542 -1.007 485 HZ2 LYS 63 HZ2 LYS 63 -13.396 -13.878 -0.627 486 HZ3 LYS 63 HZ3 LYS 63 -14.971 -14.007 -1.019 487 H ILE 64 H ILE 64 -9.825 -9.541 2.248 488 HA ILE 64 HA ILE 64 -7.207 -9.373 3.692 489 HB ILE 64 HB ILE 64 -8.624 -7.506 1.767 490 HG12 ILE 64 HG12 ILE 64 -7.517 -9.365 0.639 491 HG13 ILE 64 HG13 ILE 64 -6.720 -7.847 0.307 492 HG21 ILE 64 HG21 ILE 64 -7.568 -6.059 3.376 493 HG22 ILE 64 HG22 ILE 64 -6.066 -7.003 3.333 494 HG23 ILE 64 HG23 ILE 64 -6.599 -6.066 1.913 495 HD11 ILE 64 HD11 ILE 64 -4.906 -8.427 1.922 496 HD12 ILE 64 HD12 ILE 64 -5.700 -9.996 2.213 497 HD13 ILE 64 HD13 ILE 64 -5.068 -9.600 0.608 498 H ARG 65 H ARG 65 -7.302 -8.922 5.757 499 HA ARG 65 HA ARG 65 -9.361 -7.037 6.837 500 HB2 ARG 65 HB2 ARG 65 -9.234 -9.280 7.901 501 HB3 ARG 65 HB3 ARG 65 -7.531 -9.018 8.237 502 HG2 ARG 65 HG2 ARG 65 -8.610 -8.604 10.278 503 HG3 ARG 65 HG3 ARG 65 -8.199 -7.014 9.664 504 HD2 ARG 65 HD2 ARG 65 -10.386 -6.825 10.544 505 HD3 ARG 65 HD3 ARG 65 -10.613 -6.860 8.789 506 HE ARG 65 HE ARG 65 -10.777 -9.535 9.711 507 HH11 ARG 65 HH11 ARG 65 -12.708 -6.619 10.345 508 HH12 ARG 65 HH12 ARG 65 -14.131 -7.579 10.614 509 HH21 ARG 65 HH21 ARG 65 -12.649 -10.605 9.921 510 HH22 ARG 65 HH22 ARG 65 -14.102 -9.763 10.420 511 H ILE 66 H ILE 66 -8.749 -5.020 7.332 512 HA ILE 66 HA ILE 66 -5.948 -4.445 8.114 513 HB ILE 66 HB ILE 66 -5.822 -3.972 5.829 514 HG12 ILE 66 HG12 ILE 66 -6.272 -1.290 7.175 515 HG13 ILE 66 HG13 ILE 66 -4.869 -2.303 7.482 516 HG21 ILE 66 HG21 ILE 66 -8.229 -3.832 5.253 517 HG22 ILE 66 HG22 ILE 66 -8.305 -2.228 6.008 518 HG23 ILE 66 HG23 ILE 66 -7.312 -2.509 4.558 519 HD11 ILE 66 HD11 ILE 66 -4.114 -2.079 5.188 520 HD12 ILE 66 HD12 ILE 66 -5.570 -1.168 4.737 521 HD13 ILE 66 HD13 ILE 66 -4.415 -0.476 5.871 522 H ASP 67 H ASP 67 -5.803 -3.257 9.826 523 HA ASP 67 HA ASP 67 -6.378 -2.369 11.790 524 HB2 ASP 67 HB2 ASP 67 -6.575 -0.305 10.478 525 HB3 ASP 67 HB3 ASP 67 -8.292 -0.603 10.241 526 H THR 68 H THR 68 -9.733 -1.943 10.767 527 HA THR 68 HA THR 68 -10.543 -4.487 12.121 528 HB THR 68 HB THR 68 -12.619 -3.397 12.868 529 HG1 THR 68 HG1 THR 68 -12.705 -1.131 12.843 530 HG21 THR 68 HG21 THR 68 -10.681 -3.550 14.428 531 HG22 THR 68 HG22 THR 68 -10.170 -1.923 13.928 532 HG23 THR 68 HG23 THR 68 -11.726 -2.158 14.755 533 H HIS 69 H HIS 69 -10.561 -2.714 9.219 534 HA HIS 69 HA HIS 69 -13.237 -3.421 8.300 535 HB2 HIS 69 HB2 HIS 69 -10.879 -2.078 6.920 536 HB3 HIS 69 HB3 HIS 69 -12.504 -2.254 6.254 537 HD1 HIS 69 HD1 HIS 69 -14.404 -0.610 7.247 538 HD2 HIS 69 HD2 HIS 69 -10.506 -0.138 8.766 539 HE1 HIS 69 HE1 HIS 69 -14.393 1.606 8.504 540 H LEU 70 H LEU 70 -13.725 -4.980 6.919 541 HA LEU 70 HA LEU 70 -11.596 -6.794 5.879 542 HB2 LEU 70 HB2 LEU 70 -13.248 -7.774 7.531 543 HB3 LEU 70 HB3 LEU 70 -14.510 -7.475 6.341 544 HG LEU 70 HG LEU 70 -13.155 -8.956 4.723 545 HD11 LEU 70 HD11 LEU 70 -10.993 -8.898 6.027 546 HD12 LEU 70 HD12 LEU 70 -11.781 -9.820 7.310 547 HD13 LEU 70 HD13 LEU 70 -11.570 -10.535 5.698 548 HD21 LEU 70 HD21 LEU 70 -14.212 -10.211 7.288 549 HD22 LEU 70 HD22 LEU 70 -15.181 -9.747 5.871 550 HD23 LEU 70 HD23 LEU 70 -13.978 -11.041 5.733 551 H PHE 71 H PHE 71 -11.366 -7.065 3.780 552 HA PHE 71 HA PHE 71 -13.419 -6.130 1.824 553 HB2 PHE 71 HB2 PHE 71 -10.407 -5.707 1.658 554 HB3 PHE 71 HB3 PHE 71 -11.598 -5.255 0.448 555 HD1 PHE 71 HD2 PHE 71 -13.421 -3.527 1.131 556 HD2 PHE 71 HD1 PHE 71 -9.842 -4.234 3.432 557 HE1 PHE 71 HE2 PHE 71 -13.764 -1.382 2.331 558 HE2 PHE 71 HE1 PHE 71 -10.158 -2.056 4.584 559 HZ PHE 71 HZ PHE 71 -12.136 -0.653 4.069 560 H ASP 72 H ASP 72 -13.329 -7.192 -0.238 561 HA ASP 72 HA ASP 72 -12.744 -9.973 -0.074 562 HB2 ASP 72 HB2 ASP 72 -14.509 -9.028 -1.484 563 HB3 ASP 72 HB3 ASP 72 -13.312 -8.175 -2.461 564 H ASN 73 H ASN 73 -10.847 -7.301 -1.366 565 HA ASN 73 HA ASN 73 -8.441 -8.938 -1.697 566 HB2 ASN 73 HB2 ASN 73 -8.230 -8.369 -4.123 567 HB3 ASN 73 HB3 ASN 73 -9.594 -9.427 -3.790 568 HD21 ASN 73 HD22 ASN 73 -11.687 -8.734 -4.416 569 HD22 ASN 73 HD21 ASN 73 -11.943 -7.132 -5.109 570 H LEU 74 H LEU 74 -6.638 -7.526 -2.670 571 HA LEU 74 HA LEU 74 -6.214 -5.287 -0.970 572 HB2 LEU 74 HB2 LEU 74 -4.820 -6.183 -3.523 573 HB3 LEU 74 HB3 LEU 74 -4.255 -4.868 -2.496 574 HG LEU 74 HG LEU 74 -4.473 -7.785 -1.678 575 HD11 LEU 74 HD11 LEU 74 -2.620 -7.274 -3.225 576 HD12 LEU 74 HD12 LEU 74 -2.080 -5.968 -2.143 577 HD13 LEU 74 HD13 LEU 74 -2.017 -7.659 -1.601 578 HD21 LEU 74 HD21 LEU 74 -3.516 -5.328 -0.157 579 HD22 LEU 74 HD22 LEU 74 -4.842 -6.409 0.309 580 HD23 LEU 74 HD23 LEU 74 -3.182 -7.001 0.357 581 H ASP 75 H ASP 75 -7.231 -5.345 -4.424 582 HA ASP 75 HA ASP 75 -6.983 -2.517 -4.820 583 HB2 ASP 75 HB2 ASP 75 -7.040 -4.191 -6.633 584 HB3 ASP 75 HB3 ASP 75 -8.721 -4.555 -6.259 585 H ALA 76 H ALA 76 -9.722 -4.497 -3.652 586 HA ALA 76 HA ALA 76 -11.610 -2.342 -3.447 587 HB1 ALA 76 HB1 ALA 76 -12.272 -4.700 -3.413 588 HB2 ALA 76 HB2 ALA 76 -11.378 -4.958 -1.900 589 HB3 ALA 76 HB3 ALA 76 -12.800 -3.893 -1.922 590 H ALA 77 H ALA 77 -9.124 -3.538 -1.138 591 HA ALA 77 HA ALA 77 -9.881 -1.779 1.011 592 HB1 ALA 77 HB1 ALA 77 -8.515 -3.858 1.251 593 HB2 ALA 77 HB2 ALA 77 -7.174 -3.053 0.414 594 HB3 ALA 77 HB3 ALA 77 -7.740 -2.433 1.976 595 H ILE 78 H ILE 78 -7.442 -1.432 -1.613 596 HA ILE 78 HA ILE 78 -6.561 1.219 -0.954 597 HB ILE 78 HB ILE 78 -6.759 -0.263 -3.605 598 HG12 ILE 78 HG12 ILE 78 -5.206 -1.365 -2.119 599 HG13 ILE 78 HG13 ILE 78 -4.326 -0.565 -3.397 600 HG21 ILE 78 HG21 ILE 78 -6.692 2.101 -4.160 601 HG22 ILE 78 HG22 ILE 78 -5.310 2.353 -3.075 602 HG23 ILE 78 HG23 ILE 78 -5.135 1.356 -4.526 603 HD11 ILE 78 HD11 ILE 78 -3.737 1.271 -1.775 604 HD12 ILE 78 HD12 ILE 78 -4.568 0.346 -0.500 605 HD13 ILE 78 HD13 ILE 78 -3.155 -0.335 -1.314 606 H THR 79 H THR 79 -9.143 0.172 -3.160 607 HA THR 79 HA THR 79 -10.123 2.716 -3.903 608 HB THR 79 HB THR 79 -11.702 0.127 -3.646 609 HG1 THR 79 HG1 THR 79 -10.059 -0.155 -5.046 610 HG21 THR 79 HG21 THR 79 -13.271 1.986 -3.929 611 HG22 THR 79 HG22 THR 79 -12.277 2.668 -5.238 612 HG23 THR 79 HG23 THR 79 -13.115 1.115 -5.458 613 H PHE 80 H PHE 80 -11.100 0.753 -1.030 614 HA PHE 80 HA PHE 80 -13.092 2.562 -0.088 615 HB2 PHE 80 HB2 PHE 80 -12.790 0.302 0.777 616 HB3 PHE 80 HB3 PHE 80 -11.215 0.723 1.437 617 HD1 PHE 80 HD1 PHE 80 -14.882 1.217 1.792 618 HD2 PHE 80 HD2 PHE 80 -11.003 2.024 3.495 619 HE1 PHE 80 HE1 PHE 80 -15.961 1.979 3.898 620 HE2 PHE 80 HE2 PHE 80 -12.085 2.780 5.600 621 HZ PHE 80 HZ PHE 80 -14.564 2.764 5.801 622 H TYR 81 H TYR 81 -9.542 2.497 0.596 623 HA TYR 81 HA TYR 81 -9.741 4.977 2.103 624 HB2 TYR 81 HB2 TYR 81 -7.346 3.343 1.269 625 HB3 TYR 81 HB3 TYR 81 -7.276 4.790 2.278 626 HD1 TYR 81 HD2 TYR 81 -9.172 4.749 4.279 627 HD2 TYR 81 HD1 TYR 81 -7.180 1.349 2.516 628 HE1 TYR 81 HE2 TYR 81 -9.554 3.438 6.364 629 HE2 TYR 81 HE1 TYR 81 -7.582 0.041 4.592 630 HH TYR 81 HH TYR 81 -8.429 0.056 6.718 631 H MET 82 H MET 82 -9.699 4.498 -1.243 632 HA MET 82 HA MET 82 -8.532 7.134 -1.902 633 HB2 MET 82 HB2 MET 82 -10.291 5.198 -3.462 634 HB3 MET 82 HB3 MET 82 -9.748 6.735 -4.099 635 HG2 MET 82 HG2 MET 82 -7.729 4.713 -3.111 636 HG3 MET 82 HG3 MET 82 -8.479 4.567 -4.697 637 HE1 MET 82 HE1 MET 82 -5.536 4.517 -4.676 638 HE2 MET 82 HE2 MET 82 -6.479 4.659 -6.176 639 HE3 MET 82 HE3 MET 82 -5.083 5.723 -5.908 640 H GLU 83 H GLU 83 -11.745 5.735 -1.249 641 HA GLU 83 HA GLU 83 -13.192 8.226 -1.749 642 HB2 GLU 83 HB2 GLU 83 -14.031 5.884 -2.221 643 HB3 GLU 83 HB3 GLU 83 -14.112 5.615 -0.483 644 HG2 GLU 83 HG2 GLU 83 -16.310 6.135 -1.222 645 HG3 GLU 83 HG3 GLU 83 -15.753 7.532 -0.318 646 H HIS 84 H HIS 84 -12.122 6.412 1.129 647 HA HIS 84 HA HIS 84 -13.106 8.594 2.924 648 HB2 HIS 84 HB2 HIS 84 -12.648 5.655 3.539 649 HB3 HIS 84 HB3 HIS 84 -13.296 6.869 4.639 650 HD1 HIS 84 HD1 HIS 84 -15.802 7.936 3.773 651 HD2 HIS 84 HD2 HIS 84 -14.380 4.362 2.066 652 HE1 HIS 84 HE1 HIS 84 -17.808 6.833 2.648 653 H GLU 85 H GLU 85 -11.795 9.238 4.711 654 HA GLU 85 HA GLU 85 -8.947 9.266 4.176 655 HB2 GLU 85 HB2 GLU 85 -10.523 10.167 6.609 656 HB3 GLU 85 HB3 GLU 85 -8.793 10.441 6.360 657 HG2 GLU 85 HG2 GLU 85 -9.249 11.734 4.317 658 HG3 GLU 85 HG3 GLU 85 -10.982 11.458 4.492 659 H LEU 86 H LEU 86 -7.278 8.164 5.077 660 HA LEU 86 HA LEU 86 -7.879 5.547 6.198 661 HB2 LEU 86 HB2 LEU 86 -6.177 6.233 4.380 662 HB3 LEU 86 HB3 LEU 86 -5.145 6.782 5.688 663 HG LEU 86 HG LEU 86 -6.190 3.967 5.225 664 HD11 LEU 86 HD11 LEU 86 -4.454 4.682 3.649 665 HD12 LEU 86 HD12 LEU 86 -3.401 5.158 5.000 666 HD13 LEU 86 HD13 LEU 86 -3.822 3.450 4.751 667 HD21 LEU 86 HD21 LEU 86 -4.428 5.007 7.453 668 HD22 LEU 86 HD22 LEU 86 -5.964 4.118 7.592 669 HD23 LEU 86 HD23 LEU 86 -4.534 3.289 7.000 670 H GLU 87 H GLU 87 -5.642 8.113 7.230 671 HA GLU 87 HA GLU 87 -6.598 7.891 10.049 672 HB2 GLU 87 HB2 GLU 87 -4.619 6.364 9.766 673 HB3 GLU 87 HB3 GLU 87 -3.668 7.762 9.255 674 HG2 GLU 87 HG2 GLU 87 -3.141 7.343 11.535 675 HG3 GLU 87 HG3 GLU 87 -4.092 8.818 11.501 676 H TYR 88 H TYR 88 -4.225 9.606 7.940 677 HA TYR 88 HA TYR 88 -5.003 12.212 9.203 678 HB2 TYR 88 HB2 TYR 88 -2.572 11.421 7.606 679 HB3 TYR 88 HB3 TYR 88 -2.833 12.988 8.306 680 HD1 TYR 88 HD2 TYR 88 -2.657 13.356 10.758 681 HD2 TYR 88 HD1 TYR 88 -1.824 9.512 8.983 682 HE1 TYR 88 HE2 TYR 88 -1.381 12.684 12.793 683 HE2 TYR 88 HE1 TYR 88 -0.587 8.833 11.025 684 HH TYR 88 HH TYR 88 0.093 9.438 13.132 685 H SER 89 H SER 89 -4.669 10.466 6.107 686 HA SER 89 HA SER 89 -6.584 12.326 4.870 687 HB2 SER 89 HB2 SER 89 -4.149 13.186 4.479 688 HB3 SER 89 HB3 SER 89 -3.971 11.782 3.419 689 HG SER 89 HG SER 89 -5.649 14.054 3.184 690 H SER 90 H SER 90 -6.961 11.582 2.485 691 HA SER 90 HA SER 90 -7.340 8.633 2.383 692 HB2 SER 90 HB2 SER 90 -8.663 9.145 0.335 693 HB3 SER 90 HB3 SER 90 -9.304 9.850 1.823 694 HG SER 90 HG SER 90 -9.339 11.341 0.129 695 H LEU 91 H LEU 91 -6.782 7.518 0.380 696 HA LEU 91 HA LEU 91 -4.047 7.934 -0.480 697 HB2 LEU 91 HB2 LEU 91 -6.258 6.235 -1.707 698 HB3 LEU 91 HB3 LEU 91 -4.544 6.112 -2.060 699 HG LEU 91 HG LEU 91 -5.945 5.400 0.537 700 HD11 LEU 91 HD11 LEU 91 -6.138 3.775 -1.353 701 HD12 LEU 91 HD12 LEU 91 -4.367 3.699 -1.430 702 HD13 LEU 91 HD13 LEU 91 -5.228 3.121 0.010 703 HD21 LEU 91 HD21 LEU 91 -2.979 5.353 -0.075 704 HD22 LEU 91 HD22 LEU 91 -3.794 6.316 1.175 705 HD23 LEU 91 HD23 LEU 91 -3.734 4.556 1.315 706 H LYS 92 H LYS 92 -3.246 8.952 -2.271 707 HA LYS 92 HA LYS 92 -5.196 10.391 -4.058 708 HB2 LYS 92 HB2 LYS 92 -2.375 11.292 -3.392 709 HB3 LYS 92 HB3 LYS 92 -3.624 12.187 -4.244 710 HG2 LYS 92 HG2 LYS 92 -3.722 11.400 -1.307 711 HG3 LYS 92 HG3 LYS 92 -3.255 12.979 -1.939 712 HD2 LYS 92 HD2 LYS 92 -5.587 13.264 -2.808 713 HD3 LYS 92 HD3 LYS 92 -6.010 11.686 -2.091 714 HE2 LYS 92 HE2 LYS 92 -5.116 12.560 0.129 715 HE3 LYS 92 HE3 LYS 92 -4.959 14.151 -0.623 716 HZ1 LYS 92 HZ1 LYS 92 -7.400 14.041 -1.047 717 HZ2 LYS 92 HZ2 LYS 92 -7.467 12.620 -0.215 718 HZ3 LYS 92 HZ3 LYS 92 -7.037 13.989 0.550 719 H GLN 93 H GLN 93 -1.976 8.803 -4.065 720 HA GLN 93 HA GLN 93 -2.434 7.938 -6.831 721 HB2 GLN 93 HB2 GLN 93 -0.414 8.981 -7.732 722 HB3 GLN 93 HB3 GLN 93 -1.543 10.202 -7.146 723 HG2 GLN 93 HG2 GLN 93 -0.181 10.402 -5.036 724 HG3 GLN 93 HG3 GLN 93 0.960 9.226 -5.691 725 HE21 GLN 93 HE22 GLN 93 2.261 11.267 -5.043 726 HE22 GLN 93 HE21 GLN 93 2.565 12.379 -6.389 727 HA PRO 94 HA PRO 94 0.334 4.651 -5.439 728 HB2 PRO 94 HB2 PRO 94 0.996 3.470 -7.796 729 HB3 PRO 94 HB3 PRO 94 -0.660 3.371 -7.121 730 HG2 PRO 94 HG2 PRO 94 0.335 5.292 -9.234 731 HG3 PRO 94 HG3 PRO 94 -1.124 4.250 -9.272 732 HD2 PRO 94 HD2 PRO 94 -1.228 6.868 -8.505 733 HD3 PRO 94 HD3 PRO 94 -2.270 5.628 -7.744 734 H LEU 95 H LEU 95 2.572 4.443 -5.148 735 HA LEU 95 HA LEU 95 4.393 6.480 -5.927 736 HB2 LEU 95 HB2 LEU 95 4.809 5.013 -4.025 737 HB3 LEU 95 HB3 LEU 95 4.850 3.599 -5.078 738 HG LEU 95 HG LEU 95 6.906 4.459 -6.179 739 HD11 LEU 95 HD11 LEU 95 6.658 6.901 -5.815 740 HD12 LEU 95 HD12 LEU 95 6.780 6.654 -4.062 741 HD13 LEU 95 HD13 LEU 95 8.167 6.321 -5.118 742 HD21 LEU 95 HD21 LEU 95 7.233 4.432 -3.168 743 HD22 LEU 95 HD22 LEU 95 6.999 2.971 -4.156 744 HD23 LEU 95 HD23 LEU 95 8.430 3.982 -4.399 745 H GLN 96 H GLN 96 5.659 6.803 -7.682 746 HA GLN 96 HA GLN 96 4.985 5.353 -10.121 747 HB2 GLN 96 HB2 GLN 96 6.829 7.725 -9.656 748 HB3 GLN 96 HB3 GLN 96 6.306 7.115 -11.226 749 HG2 GLN 96 HG2 GLN 96 4.484 8.315 -9.085 750 HG3 GLN 96 HG3 GLN 96 5.026 9.109 -10.555 751 HE21 GLN 96 HE22 GLN 96 2.570 6.988 -9.220 752 HE22 GLN 96 HE21 GLN 96 1.803 6.667 -10.770 753 H ARG 97 H ARG 97 6.433 4.402 -11.567 754 HA ARG 97 HA ARG 97 8.816 3.107 -10.317 755 HB2 ARG 97 HB2 ARG 97 8.466 1.237 -11.768 756 HB3 ARG 97 HB3 ARG 97 6.986 1.577 -10.872 757 HG2 ARG 97 HG2 ARG 97 6.044 2.710 -12.905 758 HG3 ARG 97 HG3 ARG 97 7.531 2.305 -13.789 759 HD2 ARG 97 HD2 ARG 97 7.099 -0.106 -13.381 760 HD3 ARG 97 HD3 ARG 97 5.591 0.315 -12.544 761 HE ARG 97 HE ARG 97 5.542 1.526 -15.109 762 HH11 ARG 97 HH11 ARG 97 5.381 -1.746 -13.820 763 HH12 ARG 97 HH12 ARG 97 4.497 -2.309 -15.234 764 HH21 ARG 97 HH21 ARG 97 4.448 0.661 -16.856 765 HH22 ARG 97 HH22 ARG 97 4.039 -1.032 -16.851 Start of MODEL 5 1 H1 GLY -6 H1 GLY -6 9.508 -9.630 -41.891 2 H2 GLY -6 H2 GLY -6 9.049 -8.080 -41.637 3 H3 GLY -6 H3 GLY -6 10.641 -8.469 -41.659 4 HA2 GLY -6 HA2 GLY -6 10.426 -9.793 -39.669 5 HA3 GLY -6 HA3 GLY -6 9.917 -8.117 -39.393 6 H SER -5 H SER -5 8.847 -9.292 -37.533 7 HA SER -5 HA SER -5 6.010 -9.808 -38.176 8 HB2 SER -5 HB2 SER -5 5.898 -11.892 -36.993 9 HB3 SER -5 HB3 SER -5 7.166 -12.042 -38.216 10 HG SER -5 HG SER -5 7.897 -12.858 -36.231 11 H SER -4 H SER -4 4.711 -10.062 -36.109 12 HA SER -4 HA SER -4 5.294 -7.936 -34.235 13 HB2 SER -4 HB2 SER -4 3.131 -10.063 -34.104 14 HB3 SER -4 HB3 SER -4 3.152 -8.517 -33.240 15 HG SER -4 HG SER -4 3.011 -7.443 -35.242 16 H GLY -3 H GLY -3 6.766 -10.871 -34.280 17 HA2 GLY -3 HA2 GLY -3 6.378 -12.028 -31.733 18 HA3 GLY -3 HA3 GLY -3 7.779 -12.256 -32.780 19 H SER -2 H SER -2 7.991 -9.063 -32.333 20 HA SER -2 HA SER -2 9.837 -9.098 -30.075 21 HB2 SER -2 HB2 SER -2 9.969 -6.662 -30.539 22 HB3 SER -2 HB3 SER -2 10.275 -7.663 -31.968 23 HG SER -2 HG SER -2 8.834 -5.913 -32.406 24 H SER -1 H SER -1 6.439 -8.923 -30.266 25 HA SER -1 HA SER -1 6.229 -7.808 -27.502 26 HB2 SER -1 HB2 SER -1 5.517 -6.185 -29.299 27 HB3 SER -1 HB3 SER -1 4.232 -7.329 -29.738 28 HG SER -1 HG SER -1 3.557 -5.702 -28.221 29 H GLY 0 H GLY 0 4.207 -8.449 -26.401 30 HA2 GLY 0 HA2 GLY 0 2.493 -10.548 -27.080 31 HA3 GLY 0 HA3 GLY 0 3.915 -11.319 -26.374 32 H MET 1 H MET 1 2.077 -12.009 -24.902 33 HA MET 1 HA MET 1 1.095 -10.139 -22.896 34 HB2 MET 1 HB2 MET 1 1.119 -13.182 -22.982 35 HB3 MET 1 HB3 MET 1 0.306 -12.216 -21.748 36 HG2 MET 1 HG2 MET 1 -0.330 -12.153 -24.722 37 HG3 MET 1 HG3 MET 1 -1.240 -13.016 -23.487 38 HE1 MET 1 HE1 MET 1 -2.543 -11.033 -25.602 39 HE2 MET 1 HE2 MET 1 -3.468 -11.921 -24.367 40 HE3 MET 1 HE3 MET 1 -3.700 -10.170 -24.565 41 H ALA 2 H ALA 2 1.568 -10.149 -20.655 42 HA ALA 2 HA ALA 2 4.155 -11.269 -19.747 43 HB1 ALA 2 HB1 ALA 2 4.679 -9.044 -20.701 44 HB2 ALA 2 HB2 ALA 2 3.448 -8.301 -19.655 45 HB3 ALA 2 HB3 ALA 2 4.891 -9.053 -18.941 46 H GLU 3 H GLU 3 4.460 -11.093 -17.414 47 HA GLU 3 HA GLU 3 1.980 -11.574 -15.921 48 HB2 GLU 3 HB2 GLU 3 4.011 -12.997 -15.725 49 HB3 GLU 3 HB3 GLU 3 4.867 -11.651 -14.971 50 HG2 GLU 3 HG2 GLU 3 3.179 -11.639 -13.125 51 HG3 GLU 3 HG3 GLU 3 2.296 -12.934 -13.929 52 H ALA 4 H ALA 4 1.093 -9.448 -16.201 53 HA ALA 4 HA ALA 4 2.302 -7.089 -15.116 54 HB1 ALA 4 HB1 ALA 4 0.643 -7.078 -16.935 55 HB2 ALA 4 HB2 ALA 4 -0.601 -7.690 -15.818 56 HB3 ALA 4 HB3 ALA 4 0.104 -6.078 -15.573 57 H ALA 5 H ALA 5 1.562 -5.773 -13.386 58 HA ALA 5 HA ALA 5 0.064 -6.996 -11.150 59 HB1 ALA 5 HB1 ALA 5 2.446 -7.551 -10.734 60 HB2 ALA 5 HB2 ALA 5 2.875 -5.830 -10.876 61 HB3 ALA 5 HB3 ALA 5 1.839 -6.387 -9.543 62 H ALA 6 H ALA 6 -0.395 -5.335 -9.432 63 HA ALA 6 HA ALA 6 -1.709 -3.086 -10.500 64 HB1 ALA 6 HB1 ALA 6 -2.315 -4.217 -8.398 65 HB2 ALA 6 HB2 ALA 6 -0.811 -3.641 -7.639 66 HB3 ALA 6 HB3 ALA 6 -2.060 -2.487 -8.136 67 HA PRO 7 HA PRO 7 1.420 0.049 -10.819 68 HB2 PRO 7 HB2 PRO 7 0.073 2.382 -10.364 69 HB3 PRO 7 HB3 PRO 7 -0.150 1.381 -11.829 70 HG2 PRO 7 HG2 PRO 7 -1.847 1.394 -9.315 71 HG3 PRO 7 HG3 PRO 7 -2.396 1.499 -11.019 72 HD2 PRO 7 HD2 PRO 7 -2.400 -0.859 -9.681 73 HD3 PRO 7 HD3 PRO 7 -1.937 -0.789 -11.407 74 H TRP 8 H TRP 8 -0.376 -0.220 -7.807 75 HA TRP 8 HA TRP 8 1.611 1.324 -6.258 76 HB2 TRP 8 HB2 TRP 8 -0.093 0.627 -4.387 77 HB3 TRP 8 HB3 TRP 8 -0.447 1.901 -5.507 78 HD1 TRP 8 HD1 TRP 8 -2.519 1.671 -7.039 79 HE1 TRP 8 HE1 TRP 8 -4.414 -0.044 -7.304 80 HE3 TRP 8 HE3 TRP 8 -0.612 -2.093 -4.160 81 HZ2 TRP 8 HZ2 TRP 8 -5.050 -2.670 -6.335 82 HZ3 TRP 8 HZ3 TRP 8 -1.932 -4.173 -3.768 83 HH2 TRP 8 HH2 TRP 8 -4.128 -4.484 -4.889 84 H TYR 9 H TYR 9 1.511 -1.935 -7.237 85 HA TYR 9 HA TYR 9 2.428 -2.976 -4.622 86 HB2 TYR 9 HB2 TYR 9 0.797 -4.227 -5.960 87 HB3 TYR 9 HB3 TYR 9 1.986 -4.409 -7.249 88 HD1 TYR 9 HD1 TYR 9 1.481 -5.050 -3.569 89 HD2 TYR 9 HD2 TYR 9 3.402 -6.323 -7.220 90 HE1 TYR 9 HE1 TYR 9 2.296 -7.110 -2.429 91 HE2 TYR 9 HE2 TYR 9 4.190 -8.389 -6.083 92 HH TYR 9 HH TYR 9 4.191 -9.619 -4.151 93 H HIS 10 H HIS 10 4.414 -3.346 -4.039 94 HA HIS 10 HA HIS 10 6.666 -3.119 -6.006 95 HB2 HIS 10 HB2 HIS 10 6.312 -1.985 -3.220 96 HB3 HIS 10 HB3 HIS 10 7.905 -2.197 -3.936 97 HD1 HIS 10 HD1 HIS 10 8.738 -0.359 -5.569 98 HD2 HIS 10 HD2 HIS 10 4.614 -0.273 -4.765 99 HE1 HIS 10 HE1 HIS 10 7.834 1.747 -6.695 100 H GLY 11 H GLY 11 5.210 -5.529 -4.305 101 HA2 GLY 11 HA2 GLY 11 5.946 -7.662 -3.747 102 HA3 GLY 11 HA3 GLY 11 7.431 -7.278 -4.593 103 HA PRO 12 HA PRO 12 8.587 -7.890 -0.196 104 HB2 PRO 12 HB2 PRO 12 11.016 -9.051 -0.485 105 HB3 PRO 12 HB3 PRO 12 9.506 -9.879 -0.953 106 HG2 PRO 12 HG2 PRO 12 11.369 -8.298 -2.765 107 HG3 PRO 12 HG3 PRO 12 10.776 -9.977 -2.992 108 HD2 PRO 12 HD2 PRO 12 9.555 -7.828 -4.156 109 HD3 PRO 12 HD3 PRO 12 8.619 -9.236 -3.571 110 H LEU 13 H LEU 13 8.532 -5.313 -0.944 111 HA LEU 13 HA LEU 13 11.082 -3.951 -0.569 112 HB2 LEU 13 HB2 LEU 13 8.899 -3.160 -1.811 113 HB3 LEU 13 HB3 LEU 13 8.317 -2.769 -0.199 114 HG LEU 13 HG LEU 13 10.357 -1.282 0.087 115 HD11 LEU 13 HD11 LEU 13 11.816 -2.149 -1.683 116 HD12 LEU 13 HD12 LEU 13 10.569 -1.842 -2.912 117 HD13 LEU 13 HD13 LEU 13 11.367 -0.488 -2.099 118 HD21 LEU 13 HD21 LEU 13 8.457 -0.592 -2.188 119 HD22 LEU 13 HD22 LEU 13 8.105 -0.412 -0.459 120 HD23 LEU 13 HD23 LEU 13 9.389 0.552 -1.203 121 H SER 14 H SER 14 11.871 -3.010 1.346 122 HA SER 14 HA SER 14 10.593 -3.856 3.902 123 HB2 SER 14 HB2 SER 14 13.013 -4.353 3.456 124 HB3 SER 14 HB3 SER 14 13.318 -2.601 3.536 125 HG SER 14 HG SER 14 13.596 -3.728 5.563 126 H ARG 15 H ARG 15 10.853 -2.223 5.727 127 HA ARG 15 HA ARG 15 9.263 0.133 5.253 128 HB2 ARG 15 HB2 ARG 15 11.139 -0.636 7.537 129 HB3 ARG 15 HB3 ARG 15 10.260 0.892 7.476 130 HG2 ARG 15 HG2 ARG 15 8.103 -0.442 7.252 131 HG3 ARG 15 HG3 ARG 15 9.074 -1.901 7.560 132 HD2 ARG 15 HD2 ARG 15 8.050 -1.107 9.648 133 HD3 ARG 15 HD3 ARG 15 9.817 -0.921 9.715 134 HE ARG 15 HE ARG 15 8.593 1.505 8.736 135 HH11 ARG 15 HH11 ARG 15 8.767 -0.176 11.798 136 HH12 ARG 15 HH12 ARG 15 8.849 1.314 12.700 137 HH21 ARG 15 HH21 ARG 15 9.062 3.294 9.884 138 HH22 ARG 15 HH22 ARG 15 8.902 3.263 11.628 139 H THR 16 H THR 16 12.807 -0.076 5.857 140 HA THR 16 HA THR 16 13.322 2.645 5.610 141 HB THR 16 HB THR 16 15.250 0.506 4.640 142 HG1 THR 16 HG1 THR 16 15.816 0.297 6.816 143 HG21 THR 16 HG21 THR 16 16.078 2.809 4.398 144 HG22 THR 16 HG22 THR 16 15.616 3.179 6.076 145 HG23 THR 16 HG23 THR 16 16.923 2.018 5.734 146 H ASP 17 H ASP 17 13.068 0.295 2.948 147 HA ASP 17 HA ASP 17 13.864 2.137 0.844 148 HB2 ASP 17 HB2 ASP 17 12.335 -0.491 0.829 149 HB3 ASP 17 HB3 ASP 17 12.855 0.365 -0.619 150 H ALA 18 H ALA 18 10.675 1.043 2.129 151 HA ALA 18 HA ALA 18 9.061 2.609 0.358 152 HB1 ALA 18 HB1 ALA 18 8.218 0.702 1.689 153 HB2 ALA 18 HB2 ALA 18 8.521 1.597 3.190 154 HB3 ALA 18 HB3 ALA 18 7.296 2.177 2.047 155 H GLU 19 H GLU 19 10.428 3.342 3.580 156 HA GLU 19 HA GLU 19 9.306 5.941 3.915 157 HB2 GLU 19 HB2 GLU 19 11.801 4.646 5.028 158 HB3 GLU 19 HB3 GLU 19 11.241 6.250 5.518 159 HG2 GLU 19 HG2 GLU 19 9.145 5.351 6.348 160 HG3 GLU 19 HG3 GLU 19 9.546 3.736 5.795 161 H ASN 20 H ASN 20 12.526 4.993 2.548 162 HA ASN 20 HA ASN 20 13.266 7.714 1.924 163 HB2 ASN 20 HB2 ASN 20 14.246 4.983 1.034 164 HB3 ASN 20 HB3 ASN 20 14.805 6.437 0.217 165 HD21 ASN 20 HD22 ASN 20 14.815 4.757 3.338 166 HD22 ASN 20 HD21 ASN 20 16.130 5.728 4.008 167 H SER 21 H SER 21 11.370 5.314 0.089 168 HA SER 21 HA SER 21 11.295 6.851 -2.356 169 HB2 SER 21 HB2 SER 21 9.314 4.777 -1.336 170 HB3 SER 21 HB3 SER 21 9.436 5.417 -2.984 171 HG SER 21 HG SER 21 11.331 3.842 -1.562 172 H LEU 22 H LEU 22 8.927 6.581 0.356 173 HA LEU 22 HA LEU 22 7.136 8.522 -0.877 174 HB2 LEU 22 HB2 LEU 22 7.159 6.770 1.529 175 HB3 LEU 22 HB3 LEU 22 6.201 8.218 1.646 176 HG LEU 22 HG LEU 22 4.812 7.629 -0.187 177 HD11 LEU 22 HD11 LEU 22 6.313 6.595 -1.793 178 HD12 LEU 22 HD12 LEU 22 6.648 5.255 -0.667 179 HD13 LEU 22 HD13 LEU 22 5.027 5.446 -1.384 180 HD21 LEU 22 HD21 LEU 22 5.329 5.101 1.439 181 HD22 LEU 22 HD22 LEU 22 4.548 6.554 2.082 182 HD23 LEU 22 HD23 LEU 22 3.790 5.666 0.741 183 H LEU 23 H LEU 23 9.716 8.848 1.566 184 HA LEU 23 HA LEU 23 8.960 11.486 2.414 185 HB2 LEU 23 HB2 LEU 23 10.535 9.983 3.597 186 HB3 LEU 23 HB3 LEU 23 11.685 10.135 2.266 187 HG LEU 23 HG LEU 23 11.961 12.551 2.784 188 HD11 LEU 23 HD11 LEU 23 9.774 13.082 3.784 189 HD12 LEU 23 HD12 LEU 23 10.091 11.959 5.128 190 HD13 LEU 23 HD13 LEU 23 11.063 13.435 4.935 191 HD21 LEU 23 HD21 LEU 23 12.313 10.719 5.191 192 HD22 LEU 23 HD22 LEU 23 13.433 10.866 3.819 193 HD23 LEU 23 HD23 LEU 23 13.173 12.248 4.896 194 H ARG 24 H ARG 24 10.559 10.338 -0.481 195 HA ARG 24 HA ARG 24 11.308 13.037 -1.422 196 HB2 ARG 24 HB2 ARG 24 11.450 10.275 -2.699 197 HB3 ARG 24 HB3 ARG 24 12.010 11.757 -3.481 198 HG2 ARG 24 HG2 ARG 24 13.681 12.137 -1.746 199 HG3 ARG 24 HG3 ARG 24 13.090 10.756 -0.808 200 HD2 ARG 24 HD2 ARG 24 13.648 9.248 -2.719 201 HD3 ARG 24 HD3 ARG 24 14.349 10.639 -3.576 202 HE ARG 24 HE ARG 24 15.554 10.509 -1.014 203 HH11 ARG 24 HH11 ARG 24 15.554 8.556 -3.920 204 HH12 ARG 24 HH12 ARG 24 17.120 7.872 -3.573 205 HH21 ARG 24 HH21 ARG 24 17.540 9.591 -0.621 206 HH22 ARG 24 HH22 ARG 24 18.213 8.455 -1.751 207 H MET 25 H MET 25 8.451 11.218 -1.429 208 HA MET 25 HA MET 25 7.318 12.537 -3.840 209 HB2 MET 25 HB2 MET 25 6.421 10.213 -2.096 210 HB3 MET 25 HB3 MET 25 5.395 10.911 -3.327 211 HG2 MET 25 HG2 MET 25 8.146 9.807 -3.845 212 HG3 MET 25 HG3 MET 25 6.673 8.898 -4.081 213 HE1 MET 25 HE1 MET 25 5.200 8.990 -6.238 214 HE2 MET 25 HE2 MET 25 4.610 10.531 -5.571 215 HE3 MET 25 HE3 MET 25 5.096 10.429 -7.276 216 HA PRO 26 HA PRO 26 4.734 15.232 -1.354 217 HB2 PRO 26 HB2 PRO 26 2.435 15.437 -2.802 218 HB3 PRO 26 HB3 PRO 26 3.993 16.134 -3.357 219 HG2 PRO 26 HG2 PRO 26 2.764 13.486 -4.112 220 HG3 PRO 26 HG3 PRO 26 3.411 14.746 -5.217 221 HD2 PRO 26 HD2 PRO 26 4.875 12.589 -4.477 222 HD3 PRO 26 HD3 PRO 26 5.658 14.170 -4.676 223 H GLU 27 H GLU 27 2.730 15.290 -0.118 224 HA GLU 27 HA GLU 27 2.015 12.889 1.248 225 HB2 GLU 27 HB2 GLU 27 1.873 15.150 2.189 226 HB3 GLU 27 HB3 GLU 27 0.604 15.584 1.039 227 HG2 GLU 27 HG2 GLU 27 -0.962 14.057 2.080 228 HG3 GLU 27 HG3 GLU 27 0.319 13.329 3.049 229 H GLY 28 H GLY 28 0.351 11.502 1.156 230 HA2 GLY 28 HA2 GLY 28 -1.602 10.494 0.361 231 HA3 GLY 28 HA3 GLY 28 -1.722 11.709 -0.910 232 H THR 29 H THR 29 1.422 10.529 -0.966 233 HA THR 29 HA THR 29 0.923 8.695 -3.212 234 HB THR 29 HB THR 29 3.633 9.304 -1.926 235 HG1 THR 29 HG1 THR 29 2.945 11.212 -2.729 236 HG21 THR 29 HG21 THR 29 3.545 7.266 -3.324 237 HG22 THR 29 HG22 THR 29 2.814 8.202 -4.650 238 HG23 THR 29 HG23 THR 29 4.461 8.556 -4.088 239 H PHE 30 H PHE 30 0.822 6.464 -3.043 240 HA PHE 30 HA PHE 30 1.706 5.238 -0.482 241 HB2 PHE 30 HB2 PHE 30 -0.337 4.055 -0.252 242 HB3 PHE 30 HB3 PHE 30 -0.708 5.755 -0.418 243 HD1 PHE 30 HD1 PHE 30 -1.837 6.604 -2.482 244 HD2 PHE 30 HD2 PHE 30 -0.911 2.437 -1.981 245 HE1 PHE 30 HE1 PHE 30 -3.315 6.043 -4.405 246 HE2 PHE 30 HE2 PHE 30 -2.433 1.868 -3.862 247 HZ PHE 30 HZ PHE 30 -3.582 3.671 -5.118 248 H LEU 31 H LEU 31 1.830 2.940 -0.465 249 HA LEU 31 HA LEU 31 2.033 1.512 -3.018 250 HB2 LEU 31 HB2 LEU 31 4.312 0.791 -2.760 251 HB3 LEU 31 HB3 LEU 31 4.242 2.534 -2.789 252 HG LEU 31 HG LEU 31 4.398 2.401 -0.187 253 HD11 LEU 31 HD11 LEU 31 4.133 -0.030 0.212 254 HD12 LEU 31 HD12 LEU 31 5.441 -0.379 -0.939 255 HD13 LEU 31 HD13 LEU 31 5.772 0.449 0.599 256 HD21 LEU 31 HD21 LEU 31 6.728 1.546 -1.945 257 HD22 LEU 31 HD22 LEU 31 6.158 3.205 -1.671 258 HD23 LEU 31 HD23 LEU 31 6.846 2.293 -0.333 259 H VAL 32 H VAL 32 2.256 -0.807 -2.738 260 HA VAL 32 HA VAL 32 1.715 -1.807 0.010 261 HB VAL 32 HB VAL 32 0.473 -2.992 -2.479 262 HG11 VAL 32 HG11 VAL 32 0.873 -4.723 -0.802 263 HG12 VAL 32 HG12 VAL 32 0.185 -3.688 0.474 264 HG13 VAL 32 HG13 VAL 32 -0.844 -4.325 -0.817 265 HG21 VAL 32 HG21 VAL 32 -0.769 -1.394 -0.193 266 HG22 VAL 32 HG22 VAL 32 -0.629 -0.860 -1.884 267 HG23 VAL 32 HG23 VAL 32 -1.674 -2.225 -1.480 268 H ARG 33 H ARG 33 2.862 -3.486 0.667 269 HA ARG 33 HA ARG 33 4.753 -4.844 -1.199 270 HB2 ARG 33 HB2 ARG 33 6.611 -4.403 0.326 271 HB3 ARG 33 HB3 ARG 33 5.870 -2.884 -0.180 272 HG2 ARG 33 HG2 ARG 33 4.550 -2.971 2.047 273 HG3 ARG 33 HG3 ARG 33 5.628 -4.294 2.504 274 HD2 ARG 33 HD2 ARG 33 7.567 -2.649 2.068 275 HD3 ARG 33 HD3 ARG 33 6.347 -1.405 1.869 276 HE ARG 33 HE ARG 33 5.977 -1.366 4.153 277 HH11 ARG 33 HH11 ARG 33 8.015 -4.192 3.501 278 HH12 ARG 33 HH12 ARG 33 8.121 -4.555 5.222 279 HH21 ARG 33 HH21 ARG 33 6.244 -1.976 6.317 280 HH22 ARG 33 HH22 ARG 33 7.198 -3.397 6.678 281 H ASP 34 H ASP 34 5.628 -6.828 -0.406 282 HA ASP 34 HA ASP 34 3.872 -8.504 1.217 283 HB2 ASP 34 HB2 ASP 34 5.217 -9.467 -0.554 284 HB3 ASP 34 HB3 ASP 34 6.697 -8.861 0.175 285 H SER 35 H SER 35 3.957 -8.947 3.382 286 HA SER 35 HA SER 35 5.035 -6.851 4.965 287 HB2 SER 35 HB2 SER 35 2.942 -7.847 5.549 288 HB3 SER 35 HB3 SER 35 3.688 -9.430 5.775 289 HG SER 35 HG SER 35 3.311 -8.088 7.719 290 H THR 36 H THR 36 6.737 -6.537 6.086 291 HA THR 36 HA THR 36 8.912 -8.462 6.355 292 HB THR 36 HB THR 36 9.802 -6.448 7.822 293 HG1 THR 36 HG1 THR 36 8.045 -5.184 7.993 294 HG21 THR 36 HG21 THR 36 10.724 -7.026 5.650 295 HG22 THR 36 HG22 THR 36 9.357 -6.268 4.814 296 HG23 THR 36 HG23 THR 36 10.499 -5.276 5.762 297 H SER 37 H SER 37 6.041 -8.033 8.091 298 HA SER 37 HA SER 37 7.190 -9.043 10.661 299 HB2 SER 37 HB2 SER 37 4.382 -8.160 9.921 300 HB3 SER 37 HB3 SER 37 4.881 -8.771 11.506 301 HG SER 37 HG SER 37 6.086 -6.527 10.231 302 H SER 38 H SER 38 5.223 -10.162 7.898 303 HA SER 38 HA SER 38 5.315 -12.930 8.924 304 HB2 SER 38 HB2 SER 38 3.349 -11.987 10.042 305 HB3 SER 38 HB3 SER 38 2.714 -11.420 8.490 306 HG SER 38 HG SER 38 1.791 -13.261 8.395 307 HA PRO 39 HA PRO 39 5.496 -13.365 4.423 308 HB2 PRO 39 HB2 PRO 39 5.597 -16.088 4.189 309 HB3 PRO 39 HB3 PRO 39 6.977 -15.100 4.759 310 HG2 PRO 39 HG2 PRO 39 4.941 -16.598 6.441 311 HG3 PRO 39 HG3 PRO 39 6.727 -16.611 6.594 312 HD2 PRO 39 HD2 PRO 39 5.147 -15.014 8.141 313 HD3 PRO 39 HD3 PRO 39 6.750 -14.460 7.567 314 H GLY 40 H GLY 40 3.962 -13.446 2.861 315 HA2 GLY 40 HA2 GLY 40 2.015 -14.039 1.726 316 HA3 GLY 40 HA3 GLY 40 1.507 -15.054 3.076 317 H ASP 41 H ASP 41 2.196 -12.268 4.615 318 HA ASP 41 HA ASP 41 -0.489 -10.999 4.238 319 HB2 ASP 41 HB2 ASP 41 1.547 -10.713 6.476 320 HB3 ASP 41 HB3 ASP 41 0.040 -9.814 6.351 321 H TYR 42 H TYR 42 -0.415 -8.530 4.319 322 HA TYR 42 HA TYR 42 1.962 -7.486 2.824 323 HB2 TYR 42 HB2 TYR 42 -0.950 -7.005 2.128 324 HB3 TYR 42 HB3 TYR 42 0.436 -6.275 1.341 325 HD1 TYR 42 HD1 TYR 42 2.046 -7.732 0.072 326 HD2 TYR 42 HD2 TYR 42 -1.715 -9.200 1.568 327 HE1 TYR 42 HE1 TYR 42 2.197 -9.698 -1.473 328 HE2 TYR 42 HE2 TYR 42 -1.575 -11.152 0.030 329 HH TYR 42 HH TYR 42 -0.349 -12.219 -1.586 330 H VAL 43 H VAL 43 2.034 -5.108 2.688 331 HA VAL 43 HA VAL 43 0.788 -3.682 5.002 332 HB VAL 43 HB VAL 43 3.726 -3.436 4.248 333 HG11 VAL 43 HG11 VAL 43 2.813 -1.328 5.143 334 HG12 VAL 43 HG12 VAL 43 2.102 -2.205 6.518 335 HG13 VAL 43 HG13 VAL 43 3.861 -2.093 6.338 336 HG21 VAL 43 HG21 VAL 43 2.449 -4.743 6.679 337 HG22 VAL 43 HG22 VAL 43 3.337 -5.563 5.387 338 HG23 VAL 43 HG23 VAL 43 4.190 -4.448 6.456 339 H LEU 44 H LEU 44 -0.046 -1.804 4.477 340 HA LEU 44 HA LEU 44 0.406 -0.539 1.822 341 HB2 LEU 44 HB2 LEU 44 -1.923 -0.919 2.487 342 HB3 LEU 44 HB3 LEU 44 -1.643 -0.172 4.039 343 HG LEU 44 HG LEU 44 -1.373 2.022 2.999 344 HD11 LEU 44 HD11 LEU 44 -0.441 1.578 0.839 345 HD12 LEU 44 HD12 LEU 44 -1.848 0.598 0.367 346 HD13 LEU 44 HD13 LEU 44 -2.004 2.351 0.601 347 HD21 LEU 44 HD21 LEU 44 -3.843 0.550 1.969 348 HD22 LEU 44 HD22 LEU 44 -3.634 1.141 3.628 349 HD23 LEU 44 HD23 LEU 44 -3.709 2.292 2.284 350 H SER 45 H SER 45 1.813 1.150 1.750 351 HA SER 45 HA SER 45 2.487 2.570 4.293 352 HB2 SER 45 HB2 SER 45 4.399 2.110 1.996 353 HB3 SER 45 HB3 SER 45 4.745 2.893 3.544 354 HG SER 45 HG SER 45 3.970 0.177 3.130 355 H CYS 46 H CYS 46 2.405 4.794 4.256 356 HA CYS 46 HA CYS 46 1.650 6.137 1.687 357 HB2 CYS 46 HB2 CYS 46 0.137 6.326 4.323 358 HB3 CYS 46 HB3 CYS 46 -0.235 7.215 2.842 359 HG CYS 46 HG CYS 46 -2.028 5.345 3.196 360 H SER 47 H SER 47 2.382 8.258 1.438 361 HA SER 47 HA SER 47 4.015 9.477 3.535 362 HB2 SER 47 HB2 SER 47 4.121 11.338 1.875 363 HB3 SER 47 HB3 SER 47 4.794 9.810 1.315 364 HG SER 47 HG SER 47 3.341 11.054 -0.146 365 H GLU 48 H GLU 48 2.958 10.238 5.213 366 HA GLU 48 HA GLU 48 0.701 12.147 4.841 367 HB2 GLU 48 HB2 GLU 48 0.562 9.615 6.525 368 HB3 GLU 48 HB3 GLU 48 -0.444 11.014 6.840 369 HG2 GLU 48 HG2 GLU 48 -0.478 9.299 4.340 370 HG3 GLU 48 HG3 GLU 48 -1.728 9.434 5.569 371 H ASN 49 H ASN 49 0.449 13.706 6.374 372 HA ASN 49 HA ASN 49 0.933 15.099 8.063 373 HB2 ASN 49 HB2 ASN 49 -0.083 13.200 9.245 374 HB3 ASN 49 HB3 ASN 49 1.503 12.499 9.536 375 HD21 ASN 49 HD22 ASN 49 -0.244 15.633 10.087 376 HD22 ASN 49 HD21 ASN 49 0.407 15.828 11.706 377 H GLY 50 H GLY 50 3.035 14.774 6.205 378 HA2 GLY 50 HA2 GLY 50 5.167 15.599 5.877 379 HA3 GLY 50 HA3 GLY 50 5.233 16.059 7.579 380 H LYS 51 H LYS 51 4.531 12.742 7.133 381 HA LYS 51 HA LYS 51 7.347 11.791 7.293 382 HB2 LYS 51 HB2 LYS 51 6.794 10.421 9.265 383 HB3 LYS 51 HB3 LYS 51 6.615 12.137 9.598 384 HG2 LYS 51 HG2 LYS 51 4.169 11.967 9.359 385 HG3 LYS 51 HG3 LYS 51 4.307 10.237 8.979 386 HD2 LYS 51 HD2 LYS 51 5.208 9.826 11.246 387 HD3 LYS 51 HD3 LYS 51 5.132 11.572 11.593 388 HE2 LYS 51 HE2 LYS 51 2.667 11.519 11.118 389 HE3 LYS 51 HE3 LYS 51 2.764 9.770 10.893 390 HZ1 LYS 51 HZ1 LYS 51 3.525 9.617 13.227 391 HZ2 LYS 51 HZ2 LYS 51 3.362 11.236 13.409 392 HZ3 LYS 51 HZ3 LYS 51 2.047 10.306 13.126 393 H VAL 52 H VAL 52 6.904 9.155 7.669 394 HA VAL 52 HA VAL 52 5.015 8.276 5.518 395 HB VAL 52 HB VAL 52 7.717 7.036 6.094 396 HG11 VAL 52 HG11 VAL 52 6.151 5.311 5.404 397 HG12 VAL 52 HG12 VAL 52 5.494 6.351 4.123 398 HG13 VAL 52 HG13 VAL 52 7.136 5.702 3.999 399 HG21 VAL 52 HG21 VAL 52 6.706 8.763 3.801 400 HG22 VAL 52 HG22 VAL 52 8.070 9.094 4.886 401 HG23 VAL 52 HG23 VAL 52 8.189 7.789 3.715 402 H THR 53 H THR 53 3.757 6.593 5.935 403 HA THR 53 HA THR 53 3.696 5.493 8.719 404 HB THR 53 HB THR 53 1.252 5.721 8.652 405 HG1 THR 53 HG1 THR 53 1.760 7.168 6.258 406 HG21 THR 53 HG21 THR 53 2.595 7.509 9.703 407 HG22 THR 53 HG22 THR 53 2.651 8.385 8.155 408 HG23 THR 53 HG23 THR 53 1.101 8.134 8.973 409 H HIS 54 H HIS 54 2.487 3.487 8.960 410 HA HIS 54 HA HIS 54 2.335 1.798 6.507 411 HB2 HIS 54 HB2 HIS 54 3.753 0.990 9.066 412 HB3 HIS 54 HB3 HIS 54 3.598 0.044 7.594 413 HD1 HIS 54 HD1 HIS 54 5.023 1.223 5.371 414 HD2 HIS 54 HD2 HIS 54 5.893 2.437 9.312 415 HE1 HIS 54 HE1 HIS 54 7.353 2.250 5.312 416 H TYR 55 H TYR 55 0.758 0.306 6.511 417 HA TYR 55 HA TYR 55 -0.874 -0.218 8.962 418 HB2 TYR 55 HB2 TYR 55 -1.996 0.419 6.208 419 HB3 TYR 55 HB3 TYR 55 -2.882 0.220 7.714 420 HD1 TYR 55 HD1 TYR 55 -2.699 1.995 9.524 421 HD2 TYR 55 HD2 TYR 55 -0.967 2.504 5.603 422 HE1 TYR 55 HE1 TYR 55 -2.464 4.448 9.936 423 HE2 TYR 55 HE2 TYR 55 -0.718 4.937 6.028 424 HH TYR 55 HH TYR 55 -0.882 6.595 7.555 425 H LYS 56 H LYS 56 -1.274 -2.370 9.238 426 HA LYS 56 HA LYS 56 -0.223 -4.235 7.239 427 HB2 LYS 56 HB2 LYS 56 -1.324 -4.612 10.042 428 HB3 LYS 56 HB3 LYS 56 -0.826 -5.959 9.003 429 HG2 LYS 56 HG2 LYS 56 1.426 -5.031 8.775 430 HG3 LYS 56 HG3 LYS 56 0.992 -3.627 9.765 431 HD2 LYS 56 HD2 LYS 56 0.654 -5.046 11.724 432 HD3 LYS 56 HD3 LYS 56 0.918 -6.513 10.750 433 HE2 LYS 56 HE2 LYS 56 3.207 -5.782 10.213 434 HE3 LYS 56 HE3 LYS 56 2.977 -4.283 11.121 435 HZ1 LYS 56 HZ1 LYS 56 2.857 -5.530 13.146 436 HZ2 LYS 56 HZ2 LYS 56 2.785 -6.969 12.371 437 HZ3 LYS 56 HZ3 LYS 56 4.164 -6.100 12.326 438 H LEU 57 H LEU 57 -1.166 -5.589 5.978 439 HA LEU 57 HA LEU 57 -4.153 -5.717 5.747 440 HB2 LEU 57 HB2 LEU 57 -1.913 -6.029 3.728 441 HB3 LEU 57 HB3 LEU 57 -3.585 -6.384 3.352 442 HG LEU 57 HG LEU 57 -2.919 -3.654 4.425 443 HD11 LEU 57 HD11 LEU 57 -1.166 -3.890 2.812 444 HD12 LEU 57 HD12 LEU 57 -2.227 -4.688 1.650 445 HD13 LEU 57 HD13 LEU 57 -2.446 -2.969 1.996 446 HD21 LEU 57 HD21 LEU 57 -4.756 -4.544 2.173 447 HD22 LEU 57 HD22 LEU 57 -5.271 -4.341 3.859 448 HD23 LEU 57 HD23 LEU 57 -4.698 -2.943 2.931 449 H SER 58 H SER 58 -4.497 -7.426 7.066 450 HA SER 58 HA SER 58 -2.757 -9.822 7.038 451 HB2 SER 58 HB2 SER 58 -5.109 -9.080 8.802 452 HB3 SER 58 HB3 SER 58 -4.110 -10.534 8.977 453 HG SER 58 HG SER 58 -3.399 -8.819 10.340 454 H ALA 59 H ALA 59 -3.282 -11.803 6.236 455 HA ALA 59 HA ALA 59 -5.678 -12.007 4.565 456 HB1 ALA 59 HB1 ALA 59 -3.509 -12.763 3.737 457 HB2 ALA 59 HB2 ALA 59 -3.403 -13.956 5.052 458 HB3 ALA 59 HB3 ALA 59 -4.666 -14.106 3.812 459 H GLU 60 H GLU 60 -7.556 -12.923 5.091 460 HA GLU 60 HA GLU 60 -7.662 -15.166 7.074 461 HB2 GLU 60 HB2 GLU 60 -9.629 -12.841 6.911 462 HB3 GLU 60 HB3 GLU 60 -9.879 -14.343 7.808 463 HG2 GLU 60 HG2 GLU 60 -7.732 -13.810 9.085 464 HG3 GLU 60 HG3 GLU 60 -7.801 -12.198 8.360 465 H GLU 61 H GLU 61 -8.075 -16.886 5.799 466 HA GLU 61 HA GLU 61 -8.833 -18.191 4.099 467 HB2 GLU 61 HB2 GLU 61 -11.448 -16.757 4.637 468 HB3 GLU 61 HB3 GLU 61 -11.245 -18.292 3.785 469 HG2 GLU 61 HG2 GLU 61 -10.212 -19.274 5.843 470 HG3 GLU 61 HG3 GLU 61 -10.562 -17.776 6.707 471 H GLY 62 H GLY 62 -7.583 -15.801 3.227 472 HA2 GLY 62 HA2 GLY 62 -6.908 -15.109 1.079 473 HA3 GLY 62 HA3 GLY 62 -8.405 -15.728 0.388 474 H LYS 63 H LYS 63 -9.599 -13.989 2.877 475 HA LYS 63 HA LYS 63 -9.966 -11.479 1.333 476 HB2 LYS 63 HB2 LYS 63 -11.192 -12.466 3.943 477 HB3 LYS 63 HB3 LYS 63 -11.516 -10.900 3.216 478 HG2 LYS 63 HG2 LYS 63 -12.271 -12.093 1.110 479 HG3 LYS 63 HG3 LYS 63 -12.133 -13.621 1.999 480 HD2 LYS 63 HD2 LYS 63 -13.759 -12.761 3.685 481 HD3 LYS 63 HD3 LYS 63 -13.914 -11.255 2.752 482 HE2 LYS 63 HE2 LYS 63 -14.707 -12.553 0.788 483 HE3 LYS 63 HE3 LYS 63 -14.536 -14.056 1.703 484 HZ1 LYS 63 HZ1 LYS 63 -16.229 -13.231 3.252 485 HZ2 LYS 63 HZ2 LYS 63 -16.390 -11.840 2.408 486 HZ3 LYS 63 HZ3 LYS 63 -16.828 -13.260 1.735 487 H ILE 64 H ILE 64 -9.730 -9.431 2.399 488 HA ILE 64 HA ILE 64 -7.090 -9.262 3.802 489 HB ILE 64 HB ILE 64 -8.511 -7.462 1.816 490 HG12 ILE 64 HG12 ILE 64 -7.386 -9.365 0.773 491 HG13 ILE 64 HG13 ILE 64 -6.613 -7.849 0.365 492 HG21 ILE 64 HG21 ILE 64 -7.470 -5.952 3.387 493 HG22 ILE 64 HG22 ILE 64 -5.953 -6.869 3.348 494 HG23 ILE 64 HG23 ILE 64 -6.531 -5.984 1.911 495 HD11 ILE 64 HD11 ILE 64 -4.784 -8.330 2.001 496 HD12 ILE 64 HD12 ILE 64 -5.552 -9.895 2.364 497 HD13 ILE 64 HD13 ILE 64 -4.933 -9.562 0.740 498 H ARG 65 H ARG 65 -7.276 -8.881 5.870 499 HA ARG 65 HA ARG 65 -9.358 -7.059 6.974 500 HB2 ARG 65 HB2 ARG 65 -9.009 -9.332 7.990 501 HB3 ARG 65 HB3 ARG 65 -7.347 -8.889 8.338 502 HG2 ARG 65 HG2 ARG 65 -8.440 -8.573 10.378 503 HG3 ARG 65 HG3 ARG 65 -8.275 -6.944 9.747 504 HD2 ARG 65 HD2 ARG 65 -10.466 -7.102 10.640 505 HD3 ARG 65 HD3 ARG 65 -10.681 -7.164 8.881 506 HE ARG 65 HE ARG 65 -10.440 -9.835 9.664 507 HH11 ARG 65 HH11 ARG 65 -12.768 -7.337 10.530 508 HH12 ARG 65 HH12 ARG 65 -13.990 -8.534 10.872 509 HH21 ARG 65 HH21 ARG 65 -11.883 -11.176 10.080 510 HH22 ARG 65 HH22 ARG 65 -13.507 -10.737 10.630 511 H ILE 66 H ILE 66 -8.847 -5.002 7.486 512 HA ILE 66 HA ILE 66 -6.101 -4.319 8.320 513 HB ILE 66 HB ILE 66 -5.834 -3.936 6.041 514 HG12 ILE 66 HG12 ILE 66 -6.421 -1.187 7.167 515 HG13 ILE 66 HG13 ILE 66 -5.066 -2.156 7.717 516 HG21 ILE 66 HG21 ILE 66 -8.165 -3.883 5.264 517 HG22 ILE 66 HG22 ILE 66 -8.380 -2.280 5.989 518 HG23 ILE 66 HG23 ILE 66 -7.265 -2.523 4.623 519 HD11 ILE 66 HD11 ILE 66 -4.022 -2.098 5.552 520 HD12 ILE 66 HD12 ILE 66 -5.423 -1.291 4.816 521 HD13 ILE 66 HD13 ILE 66 -4.448 -0.448 6.021 522 H ASP 67 H ASP 67 -6.041 -3.052 9.959 523 HA ASP 67 HA ASP 67 -6.626 -1.990 11.821 524 HB2 ASP 67 HB2 ASP 67 -6.689 -0.078 10.267 525 HB3 ASP 67 HB3 ASP 67 -8.425 -0.289 10.076 526 H THR 68 H THR 68 -9.848 -1.828 10.359 527 HA THR 68 HA THR 68 -10.943 -3.824 12.243 528 HB THR 68 HB THR 68 -11.106 -1.556 13.311 529 HG1 THR 68 HG1 THR 68 -12.452 -3.143 14.012 530 HG21 THR 68 HG21 THR 68 -11.671 -0.259 11.285 531 HG22 THR 68 HG22 THR 68 -13.242 -1.088 11.199 532 HG23 THR 68 HG23 THR 68 -12.858 -0.044 12.585 533 H HIS 69 H HIS 69 -10.643 -2.847 9.119 534 HA HIS 69 HA HIS 69 -13.393 -3.441 8.208 535 HB2 HIS 69 HB2 HIS 69 -11.015 -2.182 6.787 536 HB3 HIS 69 HB3 HIS 69 -12.646 -2.371 6.136 537 HD1 HIS 69 HD1 HIS 69 -14.553 -0.700 7.175 538 HD2 HIS 69 HD2 HIS 69 -10.583 -0.124 8.455 539 HE1 HIS 69 HE1 HIS 69 -14.497 1.567 8.341 540 H LEU 70 H LEU 70 -13.705 -4.901 6.543 541 HA LEU 70 HA LEU 70 -11.513 -6.800 5.866 542 HB2 LEU 70 HB2 LEU 70 -13.000 -7.756 7.626 543 HB3 LEU 70 HB3 LEU 70 -14.380 -7.532 6.555 544 HG LEU 70 HG LEU 70 -13.278 -9.117 4.907 545 HD11 LEU 70 HD11 LEU 70 -10.938 -8.962 5.667 546 HD12 LEU 70 HD12 LEU 70 -11.384 -9.621 7.247 547 HD13 LEU 70 HD13 LEU 70 -11.508 -10.625 5.791 548 HD21 LEU 70 HD21 LEU 70 -13.802 -10.208 7.700 549 HD22 LEU 70 HD22 LEU 70 -15.033 -9.867 6.464 550 HD23 LEU 70 HD23 LEU 70 -13.833 -11.139 6.188 551 H PHE 71 H PHE 71 -11.271 -7.167 3.771 552 HA PHE 71 HA PHE 71 -13.398 -6.396 1.807 553 HB2 PHE 71 HB2 PHE 71 -10.401 -5.920 1.593 554 HB3 PHE 71 HB3 PHE 71 -11.618 -5.493 0.403 555 HD1 PHE 71 HD2 PHE 71 -13.428 -3.765 1.069 556 HD2 PHE 71 HD1 PHE 71 -9.850 -4.447 3.382 557 HE1 PHE 71 HE2 PHE 71 -13.767 -1.601 2.240 558 HE2 PHE 71 HE1 PHE 71 -10.168 -2.252 4.503 559 HZ PHE 71 HZ PHE 71 -12.137 -0.851 3.963 560 H ASP 72 H ASP 72 -13.287 -7.426 -0.267 561 HA ASP 72 HA ASP 72 -12.666 -10.211 -0.204 562 HB2 ASP 72 HB2 ASP 72 -14.417 -9.248 -1.611 563 HB3 ASP 72 HB3 ASP 72 -13.235 -8.285 -2.492 564 H ASN 73 H ASN 73 -10.801 -7.430 -1.353 565 HA ASN 73 HA ASN 73 -8.352 -8.994 -1.727 566 HB2 ASN 73 HB2 ASN 73 -8.138 -8.376 -4.128 567 HB3 ASN 73 HB3 ASN 73 -9.521 -9.421 -3.846 568 HD21 ASN 73 HD22 ASN 73 -11.588 -8.671 -4.459 569 HD22 ASN 73 HD21 ASN 73 -11.826 -7.040 -5.090 570 H LEU 74 H LEU 74 -6.579 -7.516 -2.659 571 HA LEU 74 HA LEU 74 -6.214 -5.288 -0.915 572 HB2 LEU 74 HB2 LEU 74 -4.759 -6.195 -3.424 573 HB3 LEU 74 HB3 LEU 74 -4.232 -4.839 -2.431 574 HG LEU 74 HG LEU 74 -4.422 -7.731 -1.510 575 HD11 LEU 74 HD11 LEU 74 -2.559 -7.281 -3.057 576 HD12 LEU 74 HD12 LEU 74 -2.046 -5.915 -2.041 577 HD13 LEU 74 HD13 LEU 74 -1.967 -7.572 -1.408 578 HD21 LEU 74 HD21 LEU 74 -3.502 -5.202 -0.087 579 HD22 LEU 74 HD22 LEU 74 -4.815 -6.286 0.413 580 HD23 LEU 74 HD23 LEU 74 -3.148 -6.851 0.495 581 H ASP 75 H ASP 75 -7.160 -5.326 -4.393 582 HA ASP 75 HA ASP 75 -6.913 -2.495 -4.765 583 HB2 ASP 75 HB2 ASP 75 -6.956 -4.177 -6.585 584 HB3 ASP 75 HB3 ASP 75 -8.648 -4.513 -6.239 585 H ALA 76 H ALA 76 -9.652 -4.490 -3.651 586 HA ALA 76 HA ALA 76 -11.572 -2.367 -3.464 587 HB1 ALA 76 HB1 ALA 76 -12.182 -4.744 -3.456 588 HB2 ALA 76 HB2 ALA 76 -11.320 -4.983 -1.921 589 HB3 ALA 76 HB3 ALA 76 -12.765 -3.951 -1.978 590 H ALA 77 H ALA 77 -9.089 -3.518 -1.133 591 HA ALA 77 HA ALA 77 -9.902 -1.782 1.015 592 HB1 ALA 77 HB1 ALA 77 -8.507 -3.840 1.261 593 HB2 ALA 77 HB2 ALA 77 -7.165 -3.003 0.457 594 HB3 ALA 77 HB3 ALA 77 -7.777 -2.404 2.009 595 H ILE 78 H ILE 78 -7.422 -1.412 -1.571 596 HA ILE 78 HA ILE 78 -6.542 1.229 -0.922 597 HB ILE 78 HB ILE 78 -6.777 -0.235 -3.580 598 HG12 ILE 78 HG12 ILE 78 -5.225 -1.364 -2.116 599 HG13 ILE 78 HG13 ILE 78 -4.351 -0.575 -3.404 600 HG21 ILE 78 HG21 ILE 78 -6.691 2.115 -4.138 601 HG22 ILE 78 HG22 ILE 78 -5.315 2.370 -3.047 602 HG23 ILE 78 HG23 ILE 78 -5.135 1.372 -4.500 603 HD11 ILE 78 HD11 ILE 78 -3.712 1.249 -1.788 604 HD12 ILE 78 HD12 ILE 78 -4.542 0.337 -0.503 605 HD13 ILE 78 HD13 ILE 78 -3.151 -0.368 -1.336 606 H THR 79 H THR 79 -9.119 0.213 -3.140 607 HA THR 79 HA THR 79 -10.091 2.776 -3.846 608 HB THR 79 HB THR 79 -11.697 0.196 -3.660 609 HG1 THR 79 HG1 THR 79 -10.017 -0.115 -5.016 610 HG21 THR 79 HG21 THR 79 -13.206 2.104 -3.974 611 HG22 THR 79 HG22 THR 79 -12.164 2.753 -5.261 612 HG23 THR 79 HG23 THR 79 -13.042 1.224 -5.497 613 H PHE 80 H PHE 80 -11.181 0.696 -1.083 614 HA PHE 80 HA PHE 80 -13.174 2.477 -0.117 615 HB2 PHE 80 HB2 PHE 80 -12.899 0.181 0.677 616 HB3 PHE 80 HB3 PHE 80 -11.341 0.577 1.391 617 HD1 PHE 80 HD1 PHE 80 -15.014 1.042 1.673 618 HD2 PHE 80 HD2 PHE 80 -11.183 1.829 3.490 619 HE1 PHE 80 HE1 PHE 80 -16.149 1.746 3.769 620 HE2 PHE 80 HE2 PHE 80 -12.319 2.530 5.584 621 HZ PHE 80 HZ PHE 80 -14.803 2.496 5.722 622 H TYR 81 H TYR 81 -9.637 2.405 0.600 623 HA TYR 81 HA TYR 81 -9.844 4.835 2.183 624 HB2 TYR 81 HB2 TYR 81 -7.437 3.263 1.269 625 HB3 TYR 81 HB3 TYR 81 -7.377 4.666 2.334 626 HD1 TYR 81 HD1 TYR 81 -9.398 4.450 4.296 627 HD2 TYR 81 HD2 TYR 81 -7.077 1.284 2.496 628 HE1 TYR 81 HE1 TYR 81 -9.735 3.046 6.320 629 HE2 TYR 81 HE2 TYR 81 -7.420 -0.110 4.523 630 HH TYR 81 HH TYR 81 -8.331 -0.228 6.625 631 H MET 82 H MET 82 -10.181 4.614 -1.046 632 HA MET 82 HA MET 82 -9.003 7.324 -1.543 633 HB2 MET 82 HB2 MET 82 -10.276 5.287 -3.414 634 HB3 MET 82 HB3 MET 82 -9.908 6.947 -3.872 635 HG2 MET 82 HG2 MET 82 -7.557 6.636 -3.435 636 HG3 MET 82 HG3 MET 82 -7.832 4.998 -2.830 637 HE1 MET 82 HE1 MET 82 -5.759 6.063 -5.186 638 HE2 MET 82 HE2 MET 82 -5.782 4.463 -4.413 639 HE3 MET 82 HE3 MET 82 -5.815 4.594 -6.188 640 H GLU 83 H GLU 83 -12.093 5.544 -1.290 641 HA GLU 83 HA GLU 83 -13.765 7.915 -1.640 642 HB2 GLU 83 HB2 GLU 83 -14.349 5.124 -0.565 643 HB3 GLU 83 HB3 GLU 83 -15.563 6.385 -0.820 644 HG2 GLU 83 HG2 GLU 83 -14.913 6.479 -3.241 645 HG3 GLU 83 HG3 GLU 83 -13.830 5.113 -2.981 646 H HIS 84 H HIS 84 -12.271 6.317 1.126 647 HA HIS 84 HA HIS 84 -13.364 8.384 2.989 648 HB2 HIS 84 HB2 HIS 84 -12.868 5.439 3.579 649 HB3 HIS 84 HB3 HIS 84 -13.499 6.641 4.701 650 HD1 HIS 84 HD1 HIS 84 -16.071 7.590 4.047 651 HD2 HIS 84 HD2 HIS 84 -14.597 4.211 2.019 652 HE1 HIS 84 HE1 HIS 84 -18.083 6.493 2.931 653 H GLU 85 H GLU 85 -12.006 8.766 4.910 654 HA GLU 85 HA GLU 85 -9.153 8.868 4.269 655 HB2 GLU 85 HB2 GLU 85 -10.688 9.635 6.774 656 HB3 GLU 85 HB3 GLU 85 -8.954 9.891 6.531 657 HG2 GLU 85 HG2 GLU 85 -9.383 11.348 4.608 658 HG3 GLU 85 HG3 GLU 85 -11.119 11.067 4.730 659 H LEU 86 H LEU 86 -7.464 7.771 5.212 660 HA LEU 86 HA LEU 86 -8.054 5.096 6.263 661 HB2 LEU 86 HB2 LEU 86 -6.362 5.766 4.450 662 HB3 LEU 86 HB3 LEU 86 -5.342 6.377 5.736 663 HG LEU 86 HG LEU 86 -6.284 3.511 5.347 664 HD11 LEU 86 HD11 LEU 86 -4.580 4.262 3.750 665 HD12 LEU 86 HD12 LEU 86 -3.551 4.829 5.087 666 HD13 LEU 86 HD13 LEU 86 -3.886 3.099 4.891 667 HD21 LEU 86 HD21 LEU 86 -4.498 4.650 7.519 668 HD22 LEU 86 HD22 LEU 86 -6.031 3.762 7.725 669 HD23 LEU 86 HD23 LEU 86 -4.616 2.924 7.114 670 H GLU 87 H GLU 87 -5.871 7.681 7.285 671 HA GLU 87 HA GLU 87 -6.764 7.494 10.111 672 HB2 GLU 87 HB2 GLU 87 -4.891 5.882 9.922 673 HB3 GLU 87 HB3 GLU 87 -3.866 7.139 9.245 674 HG2 GLU 87 HG2 GLU 87 -3.257 6.871 11.528 675 HG3 GLU 87 HG3 GLU 87 -4.068 8.423 11.398 676 H TYR 88 H TYR 88 -4.067 9.044 8.307 677 HA TYR 88 HA TYR 88 -4.722 11.673 9.462 678 HB2 TYR 88 HB2 TYR 88 -2.539 10.769 7.571 679 HB3 TYR 88 HB3 TYR 88 -2.646 12.359 8.306 680 HD1 TYR 88 HD2 TYR 88 -2.229 12.680 10.738 681 HD2 TYR 88 HD1 TYR 88 -1.757 8.828 8.849 682 HE1 TYR 88 HE2 TYR 88 -0.879 11.885 12.679 683 HE2 TYR 88 HE1 TYR 88 -0.476 8.020 10.813 684 HH TYR 88 HH TYR 88 0.355 8.525 12.882 685 H SER 89 H SER 89 -4.870 10.099 6.269 686 HA SER 89 HA SER 89 -6.833 12.024 5.288 687 HB2 SER 89 HB2 SER 89 -4.455 13.002 4.836 688 HB3 SER 89 HB3 SER 89 -4.297 11.682 3.668 689 HG SER 89 HG SER 89 -5.140 13.671 2.771 690 H SER 90 H SER 90 -7.047 11.405 2.729 691 HA SER 90 HA SER 90 -7.419 8.457 2.496 692 HB2 SER 90 HB2 SER 90 -8.742 9.033 0.479 693 HB3 SER 90 HB3 SER 90 -9.394 9.717 1.975 694 HG SER 90 HG SER 90 -9.352 11.245 0.249 695 H LEU 91 H LEU 91 -6.805 7.432 0.485 696 HA LEU 91 HA LEU 91 -4.072 7.938 -0.341 697 HB2 LEU 91 HB2 LEU 91 -6.220 6.178 -1.586 698 HB3 LEU 91 HB3 LEU 91 -4.502 6.089 -1.911 699 HG LEU 91 HG LEU 91 -5.924 5.348 0.669 700 HD11 LEU 91 HD11 LEU 91 -6.097 3.732 -1.231 701 HD12 LEU 91 HD12 LEU 91 -4.328 3.669 -1.305 702 HD13 LEU 91 HD13 LEU 91 -5.188 3.080 0.133 703 HD21 LEU 91 HD21 LEU 91 -2.954 5.298 0.063 704 HD22 LEU 91 HD22 LEU 91 -3.765 6.296 1.290 705 HD23 LEU 91 HD23 LEU 91 -3.725 4.538 1.465 706 H LYS 92 H LYS 92 -3.288 9.014 -2.147 707 HA LYS 92 HA LYS 92 -5.305 10.186 -4.047 708 HB2 LYS 92 HB2 LYS 92 -2.596 11.360 -3.293 709 HB3 LYS 92 HB3 LYS 92 -3.747 11.991 -4.473 710 HG2 LYS 92 HG2 LYS 92 -5.501 12.028 -2.588 711 HG3 LYS 92 HG3 LYS 92 -4.157 11.803 -1.464 712 HD2 LYS 92 HD2 LYS 92 -4.482 14.098 -3.455 713 HD3 LYS 92 HD3 LYS 92 -4.827 14.177 -1.721 714 HE2 LYS 92 HE2 LYS 92 -2.465 13.681 -1.204 715 HE3 LYS 92 HE3 LYS 92 -2.089 13.567 -2.927 716 HZ1 LYS 92 HZ1 LYS 92 -2.704 15.913 -3.148 717 HZ2 LYS 92 HZ2 LYS 92 -3.053 16.018 -1.551 718 HZ3 LYS 92 HZ3 LYS 92 -1.518 15.733 -2.038 719 H GLN 93 H GLN 93 -1.975 8.814 -4.009 720 HA GLN 93 HA GLN 93 -2.458 7.885 -6.770 721 HB2 GLN 93 HB2 GLN 93 -0.499 9.009 -7.687 722 HB3 GLN 93 HB3 GLN 93 -1.660 10.176 -7.051 723 HG2 GLN 93 HG2 GLN 93 -0.261 10.340 -4.946 724 HG3 GLN 93 HG3 GLN 93 0.920 9.267 -5.698 725 HE21 GLN 93 HE22 GLN 93 2.083 11.371 -4.953 726 HE22 GLN 93 HE21 GLN 93 2.286 12.566 -6.244 727 HA PRO 94 HA PRO 94 0.302 4.616 -5.456 728 HB2 PRO 94 HB2 PRO 94 0.815 3.379 -7.813 729 HB3 PRO 94 HB3 PRO 94 -0.816 3.358 -7.072 730 HG2 PRO 94 HG2 PRO 94 0.173 5.197 -9.261 731 HG3 PRO 94 HG3 PRO 94 -1.332 4.222 -9.219 732 HD2 PRO 94 HD2 PRO 94 -1.280 6.853 -8.492 733 HD3 PRO 94 HD3 PRO 94 -2.349 5.672 -7.677 734 H LEU 95 H LEU 95 2.503 4.456 -5.123 735 HA LEU 95 HA LEU 95 4.395 6.320 -6.197 736 HB2 LEU 95 HB2 LEU 95 4.767 5.118 -4.073 737 HB3 LEU 95 HB3 LEU 95 4.771 3.579 -4.933 738 HG LEU 95 HG LEU 95 6.832 4.274 -6.172 739 HD11 LEU 95 HD11 LEU 95 6.619 6.747 -6.048 740 HD12 LEU 95 HD12 LEU 95 6.782 6.665 -4.281 741 HD13 LEU 95 HD13 LEU 95 8.138 6.207 -5.331 742 HD21 LEU 95 HD21 LEU 95 7.189 4.532 -3.177 743 HD22 LEU 95 HD22 LEU 95 6.927 2.991 -4.025 744 HD23 LEU 95 HD23 LEU 95 8.367 3.950 -4.375 745 H GLN 96 H GLN 96 5.654 6.261 -8.035 746 HA GLN 96 HA GLN 96 4.794 4.443 -10.139 747 HB2 GLN 96 HB2 GLN 96 6.900 6.633 -10.163 748 HB3 GLN 96 HB3 GLN 96 6.247 5.806 -11.578 749 HG2 GLN 96 HG2 GLN 96 4.664 7.593 -9.663 750 HG3 GLN 96 HG3 GLN 96 5.227 8.027 -11.268 751 HE21 GLN 96 HE22 GLN 96 2.621 6.452 -9.492 752 HE22 GLN 96 HE21 GLN 96 1.749 5.969 -10.939 753 H ARG 97 H ARG 97 5.784 2.709 -10.969 754 HA ARG 97 HA ARG 97 8.627 2.147 -10.463 755 HB2 ARG 97 HB2 ARG 97 8.400 0.050 -9.599 756 HB3 ARG 97 HB3 ARG 97 7.223 0.988 -8.702 757 HG2 ARG 97 HG2 ARG 97 6.623 -0.964 -10.955 758 HG3 ARG 97 HG3 ARG 97 6.436 -1.267 -9.237 759 HD2 ARG 97 HD2 ARG 97 4.669 0.331 -9.012 760 HD3 ARG 97 HD3 ARG 97 4.882 0.922 -10.662 761 HE ARG 97 HE ARG 97 3.458 -1.468 -9.835 762 HH11 ARG 97 HH11 ARG 97 5.157 -0.046 -12.612 763 HH12 ARG 97 HH12 ARG 97 4.173 -0.954 -13.732 764 HH21 ARG 97 HH21 ARG 97 2.290 -2.528 -11.319 765 HH22 ARG 97 HH22 ARG 97 2.607 -2.346 -13.024 Start of MODEL 6 1 H1 GLY -6 H1 GLY -6 -11.522 -17.109 -33.804 2 H2 GLY -6 H2 GLY -6 -12.949 -17.751 -33.323 3 H3 GLY -6 H3 GLY -6 -12.731 -17.331 -34.892 4 HA2 GLY -6 HA2 GLY -6 -12.597 -15.003 -34.332 5 HA3 GLY -6 HA3 GLY -6 -14.124 -15.707 -33.762 6 H SER -5 H SER -5 -12.002 -13.523 -32.824 7 HA SER -5 HA SER -5 -10.951 -12.780 -30.958 8 HB2 SER -5 HB2 SER -5 -13.266 -14.085 -29.496 9 HB3 SER -5 HB3 SER -5 -12.195 -12.821 -28.862 10 HG SER -5 HG SER -5 -14.152 -11.963 -29.714 11 H SER -4 H SER -4 -9.842 -15.105 -31.944 12 HA SER -4 HA SER -4 -9.510 -17.193 -30.043 13 HB2 SER -4 HB2 SER -4 -7.778 -16.575 -32.459 14 HB3 SER -4 HB3 SER -4 -7.988 -18.142 -31.657 15 HG SER -4 HG SER -4 -9.280 -18.015 -33.510 16 H GLY -3 H GLY -3 -7.650 -17.949 -28.962 17 HA2 GLY -3 HA2 GLY -3 -5.640 -17.861 -27.813 18 HA3 GLY -3 HA3 GLY -3 -5.191 -16.426 -28.726 19 H SER -2 H SER -2 -4.250 -15.948 -26.554 20 HA SER -2 HA SER -2 -5.985 -14.131 -25.018 21 HB2 SER -2 HB2 SER -2 -5.582 -15.139 -22.882 22 HB3 SER -2 HB3 SER -2 -6.220 -16.405 -23.936 23 HG SER -2 HG SER -2 -4.432 -17.196 -22.813 24 H SER -1 H SER -1 -4.597 -13.095 -23.179 25 HA SER -1 HA SER -1 -2.170 -11.961 -24.245 26 HB2 SER -1 HB2 SER -1 -3.254 -11.871 -21.407 27 HB3 SER -1 HB3 SER -1 -2.045 -10.784 -22.115 28 HG SER -1 HG SER -1 -4.154 -9.868 -22.141 29 H GLY 0 H GLY 0 -2.581 -15.015 -22.878 30 HA2 GLY 0 HA2 GLY 0 -1.059 -16.630 -22.264 31 HA3 GLY 0 HA3 GLY 0 0.251 -15.497 -22.576 32 H MET 1 H MET 1 1.041 -16.796 -20.687 33 HA MET 1 HA MET 1 -0.046 -16.244 -18.045 34 HB2 MET 1 HB2 MET 1 1.676 -17.760 -17.237 35 HB3 MET 1 HB3 MET 1 0.724 -18.451 -18.545 36 HG2 MET 1 HG2 MET 1 2.542 -17.979 -20.153 37 HG3 MET 1 HG3 MET 1 3.525 -17.289 -18.865 38 HE1 MET 1 HE1 MET 1 4.742 -18.617 -17.014 39 HE2 MET 1 HE2 MET 1 3.210 -19.266 -16.382 40 HE3 MET 1 HE3 MET 1 4.561 -20.361 -16.727 41 H ALA 2 H ALA 2 0.469 -13.815 -18.977 42 HA ALA 2 HA ALA 2 3.059 -12.732 -18.470 43 HB1 ALA 2 HB1 ALA 2 1.372 -11.670 -19.917 44 HB2 ALA 2 HB2 ALA 2 0.331 -11.376 -18.505 45 HB3 ALA 2 HB3 ALA 2 1.903 -10.562 -18.638 46 H GLU 3 H GLU 3 3.858 -11.451 -16.804 47 HA GLU 3 HA GLU 3 2.908 -12.225 -14.101 48 HB2 GLU 3 HB2 GLU 3 5.615 -11.223 -15.039 49 HB3 GLU 3 HB3 GLU 3 5.208 -11.734 -13.394 50 HG2 GLU 3 HG2 GLU 3 4.631 -14.005 -14.251 51 HG3 GLU 3 HG3 GLU 3 5.163 -13.517 -15.863 52 H ALA 4 H ALA 4 1.685 -9.956 -15.590 53 HA ALA 4 HA ALA 4 2.562 -7.464 -14.498 54 HB1 ALA 4 HB1 ALA 4 1.270 -7.676 -16.583 55 HB2 ALA 4 HB2 ALA 4 -0.135 -8.270 -15.665 56 HB3 ALA 4 HB3 ALA 4 0.448 -6.609 -15.429 57 H ALA 5 H ALA 5 1.574 -6.083 -12.993 58 HA ALA 5 HA ALA 5 -0.278 -7.173 -10.958 59 HB1 ALA 5 HB1 ALA 5 2.010 -7.757 -10.184 60 HB2 ALA 5 HB2 ALA 5 2.488 -6.048 -10.316 61 HB3 ALA 5 HB3 ALA 5 1.261 -6.544 -9.132 62 H ALA 6 H ALA 6 -0.857 -5.409 -9.338 63 HA ALA 6 HA ALA 6 -1.850 -3.083 -10.657 64 HB1 ALA 6 HB1 ALA 6 -2.899 -4.150 -8.688 65 HB2 ALA 6 HB2 ALA 6 -1.515 -3.657 -7.682 66 HB3 ALA 6 HB3 ALA 6 -2.574 -2.434 -8.413 67 HA PRO 7 HA PRO 7 1.619 -0.447 -10.758 68 HB2 PRO 7 HB2 PRO 7 0.577 2.097 -10.568 69 HB3 PRO 7 HB3 PRO 7 0.349 1.026 -11.984 70 HG2 PRO 7 HG2 PRO 7 -1.540 1.433 -9.641 71 HG3 PRO 7 HG3 PRO 7 -1.922 1.502 -11.393 72 HD2 PRO 7 HD2 PRO 7 -2.375 -0.746 -9.970 73 HD3 PRO 7 HD3 PRO 7 -1.702 -0.854 -11.624 74 H TRP 8 H TRP 8 -0.378 -0.176 -7.885 75 HA TRP 8 HA TRP 8 1.629 1.266 -6.305 76 HB2 TRP 8 HB2 TRP 8 -0.119 0.607 -4.459 77 HB3 TRP 8 HB3 TRP 8 -0.430 1.878 -5.597 78 HD1 TRP 8 HD1 TRP 8 -2.455 1.666 -7.192 79 HE1 TRP 8 HE1 TRP 8 -4.419 0.027 -7.415 80 HE3 TRP 8 HE3 TRP 8 -0.709 -2.105 -4.215 81 HZ2 TRP 8 HZ2 TRP 8 -5.174 -2.541 -6.368 82 HZ3 TRP 8 HZ3 TRP 8 -2.096 -4.137 -3.808 83 HH2 TRP 8 HH2 TRP 8 -4.315 -4.369 -4.899 84 H TYR 9 H TYR 9 1.477 -2.017 -7.247 85 HA TYR 9 HA TYR 9 2.420 -3.002 -4.628 86 HB2 TYR 9 HB2 TYR 9 0.780 -4.292 -5.948 87 HB3 TYR 9 HB3 TYR 9 1.996 -4.527 -7.203 88 HD1 TYR 9 HD1 TYR 9 1.403 -5.007 -3.520 89 HD2 TYR 9 HD2 TYR 9 3.474 -6.397 -7.043 90 HE1 TYR 9 HE1 TYR 9 2.311 -6.925 -2.224 91 HE2 TYR 9 HE2 TYR 9 4.359 -8.335 -5.746 92 HH TYR 9 HH TYR 9 3.643 -8.790 -2.270 93 H HIS 10 H HIS 10 4.434 -3.315 -4.055 94 HA HIS 10 HA HIS 10 6.646 -3.104 -6.070 95 HB2 HIS 10 HB2 HIS 10 6.318 -1.846 -3.337 96 HB3 HIS 10 HB3 HIS 10 7.898 -2.035 -4.086 97 HD1 HIS 10 HD1 HIS 10 8.571 -0.346 -5.984 98 HD2 HIS 10 HD2 HIS 10 4.559 -0.172 -4.749 99 HE1 HIS 10 HE1 HIS 10 7.569 1.720 -7.102 100 H GLY 11 H GLY 11 5.312 -5.527 -4.385 101 HA2 GLY 11 HA2 GLY 11 6.149 -7.637 -3.857 102 HA3 GLY 11 HA3 GLY 11 7.637 -7.142 -4.627 103 HA PRO 12 HA PRO 12 8.666 -7.771 -0.193 104 HB2 PRO 12 HB2 PRO 12 11.105 -8.922 -0.422 105 HB3 PRO 12 HB3 PRO 12 9.610 -9.770 -0.903 106 HG2 PRO 12 HG2 PRO 12 11.497 -8.213 -2.707 107 HG3 PRO 12 HG3 PRO 12 10.911 -9.895 -2.919 108 HD2 PRO 12 HD2 PRO 12 9.710 -7.762 -4.135 109 HD3 PRO 12 HD3 PRO 12 8.766 -9.167 -3.557 110 H LEU 13 H LEU 13 8.575 -5.228 -0.920 111 HA LEU 13 HA LEU 13 11.097 -3.808 -0.643 112 HB2 LEU 13 HB2 LEU 13 8.882 -3.072 -1.818 113 HB3 LEU 13 HB3 LEU 13 8.304 -2.717 -0.198 114 HG LEU 13 HG LEU 13 10.294 -1.156 0.072 115 HD11 LEU 13 HD11 LEU 13 11.759 -1.960 -1.723 116 HD12 LEU 13 HD12 LEU 13 10.486 -1.684 -2.932 117 HD13 LEU 13 HD13 LEU 13 11.248 -0.312 -2.118 118 HD21 LEU 13 HD21 LEU 13 8.331 -0.527 -2.165 119 HD22 LEU 13 HD22 LEU 13 8.014 -0.358 -0.425 120 HD23 LEU 13 HD23 LEU 13 9.246 0.649 -1.197 121 H SER 14 H SER 14 11.972 -2.853 1.218 122 HA SER 14 HA SER 14 10.981 -3.798 3.837 123 HB2 SER 14 HB2 SER 14 13.004 -3.037 4.743 124 HB3 SER 14 HB3 SER 14 13.448 -3.747 3.186 125 HG SER 14 HG SER 14 13.909 -1.786 2.405 126 H ARG 15 H ARG 15 10.887 -2.228 5.685 127 HA ARG 15 HA ARG 15 9.156 0.052 5.260 128 HB2 ARG 15 HB2 ARG 15 11.003 -0.803 7.533 129 HB3 ARG 15 HB3 ARG 15 10.242 0.783 7.510 130 HG2 ARG 15 HG2 ARG 15 7.986 -0.364 7.277 131 HG3 ARG 15 HG3 ARG 15 8.832 -1.905 7.539 132 HD2 ARG 15 HD2 ARG 15 7.907 -1.076 9.658 133 HD3 ARG 15 HD3 ARG 15 9.688 -1.045 9.701 134 HE ARG 15 HE ARG 15 8.797 1.494 8.785 135 HH11 ARG 15 HH11 ARG 15 8.522 -0.230 11.822 136 HH12 ARG 15 HH12 ARG 15 8.721 1.233 12.749 137 HH21 ARG 15 HH21 ARG 15 9.307 3.177 9.948 138 HH22 ARG 15 HH22 ARG 15 9.088 3.182 11.694 139 H THR 16 H THR 16 12.687 -0.100 5.858 140 HA THR 16 HA THR 16 13.205 2.630 5.681 141 HB THR 16 HB THR 16 15.101 0.471 4.683 142 HG1 THR 16 HG1 THR 16 15.697 0.287 6.850 143 HG21 THR 16 HG21 THR 16 15.956 2.758 4.386 144 HG22 THR 16 HG22 THR 16 15.524 3.166 6.062 145 HG23 THR 16 HG23 THR 16 16.811 1.983 5.724 146 H ASP 17 H ASP 17 13.083 0.311 2.941 147 HA ASP 17 HA ASP 17 13.783 2.254 0.908 148 HB2 ASP 17 HB2 ASP 17 12.279 -0.383 0.796 149 HB3 ASP 17 HB3 ASP 17 12.723 0.560 -0.625 150 H ALA 18 H ALA 18 10.606 1.107 2.175 151 HA ALA 18 HA ALA 18 8.984 2.698 0.441 152 HB1 ALA 18 HB1 ALA 18 8.148 0.759 1.725 153 HB2 ALA 18 HB2 ALA 18 8.440 1.617 3.248 154 HB3 ALA 18 HB3 ALA 18 7.217 2.219 2.118 155 H GLU 19 H GLU 19 10.312 3.392 3.703 156 HA GLU 19 HA GLU 19 9.116 5.972 3.999 157 HB2 GLU 19 HB2 GLU 19 11.579 4.745 5.285 158 HB3 GLU 19 HB3 GLU 19 10.929 6.334 5.700 159 HG2 GLU 19 HG2 GLU 19 8.741 5.264 6.280 160 HG3 GLU 19 HG3 GLU 19 9.447 3.691 5.971 161 H ASN 20 H ASN 20 12.373 5.079 2.710 162 HA ASN 20 HA ASN 20 13.132 7.824 2.218 163 HB2 ASN 20 HB2 ASN 20 14.132 5.131 1.233 164 HB3 ASN 20 HB3 ASN 20 14.724 6.625 0.515 165 HD21 ASN 20 HD22 ASN 20 14.616 4.781 3.541 166 HD22 ASN 20 HD21 ASN 20 15.912 5.706 4.307 167 H SER 21 H SER 21 11.282 5.498 0.256 168 HA SER 21 HA SER 21 11.220 7.143 -2.128 169 HB2 SER 21 HB2 SER 21 9.277 4.979 -1.226 170 HB3 SER 21 HB3 SER 21 9.395 5.690 -2.844 171 HG SER 21 HG SER 21 11.298 4.086 -1.471 172 H LEU 22 H LEU 22 8.805 6.668 0.521 173 HA LEU 22 HA LEU 22 7.009 8.631 -0.629 174 HB2 LEU 22 HB2 LEU 22 7.041 6.815 1.731 175 HB3 LEU 22 HB3 LEU 22 6.028 8.228 1.847 176 HG LEU 22 HG LEU 22 4.703 7.628 -0.024 177 HD11 LEU 22 HD11 LEU 22 6.260 6.639 -1.616 178 HD12 LEU 22 HD12 LEU 22 6.605 5.298 -0.496 179 HD13 LEU 22 HD13 LEU 22 4.995 5.457 -1.240 180 HD21 LEU 22 HD21 LEU 22 5.256 5.102 1.589 181 HD22 LEU 22 HD22 LEU 22 4.442 6.536 2.235 182 HD23 LEU 22 HD23 LEU 22 3.713 5.643 0.877 183 H LEU 23 H LEU 23 9.615 8.958 1.743 184 HA LEU 23 HA LEU 23 8.783 11.559 2.682 185 HB2 LEU 23 HB2 LEU 23 10.368 10.069 3.858 186 HB3 LEU 23 HB3 LEU 23 11.528 10.253 2.539 187 HG LEU 23 HG LEU 23 11.758 12.668 3.084 188 HD11 LEU 23 HD11 LEU 23 9.556 13.150 4.079 189 HD12 LEU 23 HD12 LEU 23 9.886 12.017 5.411 190 HD13 LEU 23 HD13 LEU 23 10.834 13.512 5.240 191 HD21 LEU 23 HD21 LEU 23 12.129 10.814 5.471 192 HD22 LEU 23 HD22 LEU 23 13.253 10.998 4.108 193 HD23 LEU 23 HD23 LEU 23 12.963 12.362 5.199 194 H ARG 24 H ARG 24 10.477 10.496 -0.218 195 HA ARG 24 HA ARG 24 11.193 13.214 -1.078 196 HB2 ARG 24 HB2 ARG 24 12.514 11.167 -1.644 197 HB3 ARG 24 HB3 ARG 24 11.161 10.578 -2.618 198 HG2 ARG 24 HG2 ARG 24 11.377 12.528 -4.126 199 HG3 ARG 24 HG3 ARG 24 12.678 13.182 -3.107 200 HD2 ARG 24 HD2 ARG 24 14.049 11.175 -3.579 201 HD3 ARG 24 HD3 ARG 24 12.740 10.515 -4.584 202 HE ARG 24 HE ARG 24 13.386 13.110 -5.555 203 HH11 ARG 24 HH11 ARG 24 14.902 9.953 -5.455 204 HH12 ARG 24 HH12 ARG 24 15.845 10.258 -6.887 205 HH21 ARG 24 HH21 ARG 24 14.618 13.435 -7.376 206 HH22 ARG 24 HH22 ARG 24 15.683 12.182 -7.942 207 H MET 25 H MET 25 8.529 10.996 -1.594 208 HA MET 25 HA MET 25 7.239 12.550 -3.696 209 HB2 MET 25 HB2 MET 25 6.381 10.180 -1.996 210 HB3 MET 25 HB3 MET 25 5.363 10.871 -3.238 211 HG2 MET 25 HG2 MET 25 8.137 9.807 -3.723 212 HG3 MET 25 HG3 MET 25 6.679 8.888 -3.998 213 HE1 MET 25 HE1 MET 25 5.265 8.954 -6.149 214 HE2 MET 25 HE2 MET 25 4.624 10.480 -5.501 215 HE3 MET 25 HE3 MET 25 5.141 10.383 -7.197 216 HA PRO 26 HA PRO 26 4.627 15.146 -1.143 217 HB2 PRO 26 HB2 PRO 26 2.358 15.435 -2.613 218 HB3 PRO 26 HB3 PRO 26 3.936 16.105 -3.138 219 HG2 PRO 26 HG2 PRO 26 2.654 13.500 -3.973 220 HG3 PRO 26 HG3 PRO 26 3.344 14.774 -5.033 221 HD2 PRO 26 HD2 PRO 26 4.751 12.564 -4.318 222 HD3 PRO 26 HD3 PRO 26 5.567 14.131 -4.494 223 H GLU 27 H GLU 27 2.635 15.187 0.109 224 HA GLU 27 HA GLU 27 1.921 12.772 1.431 225 HB2 GLU 27 HB2 GLU 27 1.701 15.122 2.323 226 HB3 GLU 27 HB3 GLU 27 0.352 15.365 1.215 227 HG2 GLU 27 HG2 GLU 27 -0.665 13.223 2.434 228 HG3 GLU 27 HG3 GLU 27 0.535 13.601 3.666 229 H GLY 28 H GLY 28 0.463 11.244 1.122 230 HA2 GLY 28 HA2 GLY 28 -1.622 10.333 0.417 231 HA3 GLY 28 HA3 GLY 28 -1.729 11.569 -0.837 232 H THR 29 H THR 29 1.386 10.462 -0.955 233 HA THR 29 HA THR 29 0.935 8.642 -3.215 234 HB THR 29 HB THR 29 3.599 9.280 -1.856 235 HG1 THR 29 HG1 THR 29 2.882 11.170 -2.673 236 HG21 THR 29 HG21 THR 29 3.585 7.238 -3.258 237 HG22 THR 29 HG22 THR 29 2.872 8.162 -4.601 238 HG23 THR 29 HG23 THR 29 4.498 8.540 -3.999 239 H PHE 30 H PHE 30 0.821 6.413 -3.044 240 HA PHE 30 HA PHE 30 1.672 5.180 -0.474 241 HB2 PHE 30 HB2 PHE 30 -0.380 4.016 -0.272 242 HB3 PHE 30 HB3 PHE 30 -0.743 5.718 -0.459 243 HD1 PHE 30 HD1 PHE 30 -1.809 6.557 -2.561 244 HD2 PHE 30 HD2 PHE 30 -0.940 2.388 -1.998 245 HE1 PHE 30 HE1 PHE 30 -3.214 5.998 -4.541 246 HE2 PHE 30 HE2 PHE 30 -2.401 1.819 -3.926 247 HZ PHE 30 HZ PHE 30 -3.464 3.624 -5.253 248 H LEU 31 H LEU 31 1.778 2.887 -0.468 249 HA LEU 31 HA LEU 31 2.051 1.475 -3.024 250 HB2 LEU 31 HB2 LEU 31 4.351 0.805 -2.721 251 HB3 LEU 31 HB3 LEU 31 4.233 2.544 -2.752 252 HG LEU 31 HG LEU 31 4.319 2.396 -0.137 253 HD11 LEU 31 HD11 LEU 31 4.143 -0.055 0.214 254 HD12 LEU 31 HD12 LEU 31 5.495 -0.329 -0.902 255 HD13 LEU 31 HD13 LEU 31 5.748 0.489 0.655 256 HD21 LEU 31 HD21 LEU 31 6.722 1.663 -1.853 257 HD22 LEU 31 HD22 LEU 31 6.071 3.290 -1.576 258 HD23 LEU 31 HD23 LEU 31 6.769 2.397 -0.231 259 H VAL 32 H VAL 32 2.248 -0.826 -2.762 260 HA VAL 32 HA VAL 32 1.705 -1.859 -0.030 261 HB VAL 32 HB VAL 32 0.444 -2.961 -2.545 262 HG11 VAL 32 HG11 VAL 32 0.868 -4.768 -0.943 263 HG12 VAL 32 HG12 VAL 32 0.173 -3.795 0.376 264 HG13 VAL 32 HG13 VAL 32 -0.850 -4.381 -0.949 265 HG21 VAL 32 HG21 VAL 32 -0.762 -1.456 -0.172 266 HG22 VAL 32 HG22 VAL 32 -0.650 -0.861 -1.842 267 HG23 VAL 32 HG23 VAL 32 -1.691 -2.239 -1.473 268 H ARG 33 H ARG 33 2.838 -3.570 0.601 269 HA ARG 33 HA ARG 33 4.775 -4.872 -1.264 270 HB2 ARG 33 HB2 ARG 33 6.610 -4.407 0.286 271 HB3 ARG 33 HB3 ARG 33 5.855 -2.905 -0.252 272 HG2 ARG 33 HG2 ARG 33 4.523 -2.949 1.956 273 HG3 ARG 33 HG3 ARG 33 5.581 -4.275 2.449 274 HD2 ARG 33 HD2 ARG 33 7.542 -2.665 2.009 275 HD3 ARG 33 HD3 ARG 33 6.346 -1.407 1.764 276 HE ARG 33 HE ARG 33 5.939 -1.317 4.045 277 HH11 ARG 33 HH11 ARG 33 8.012 -4.130 3.471 278 HH12 ARG 33 HH12 ARG 33 8.012 -4.525 5.187 279 HH21 ARG 33 HH21 ARG 33 6.127 -1.929 6.220 280 HH22 ARG 33 HH22 ARG 33 7.060 -3.358 6.612 281 H ASP 34 H ASP 34 5.710 -6.828 -0.475 282 HA ASP 34 HA ASP 34 3.976 -8.575 1.094 283 HB2 ASP 34 HB2 ASP 34 5.423 -9.452 -0.663 284 HB3 ASP 34 HB3 ASP 34 6.850 -8.845 0.163 285 H SER 35 H SER 35 4.035 -9.055 3.254 286 HA SER 35 HA SER 35 4.947 -6.946 4.892 287 HB2 SER 35 HB2 SER 35 2.924 -8.121 5.405 288 HB3 SER 35 HB3 SER 35 3.799 -9.640 5.641 289 HG SER 35 HG SER 35 3.251 -8.354 7.583 290 H THR 36 H THR 36 6.529 -6.549 6.174 291 HA THR 36 HA THR 36 8.870 -8.285 6.381 292 HB THR 36 HB THR 36 9.515 -6.261 8.004 293 HG1 THR 36 HG1 THR 36 7.639 -5.140 8.008 294 HG21 THR 36 HG21 THR 36 10.682 -6.738 5.943 295 HG22 THR 36 HG22 THR 36 9.335 -6.129 4.966 296 HG23 THR 36 HG23 THR 36 10.287 -5.013 5.987 297 H SER 37 H SER 37 5.935 -8.193 8.110 298 HA SER 37 HA SER 37 7.098 -9.219 10.632 299 HB2 SER 37 HB2 SER 37 4.212 -9.222 9.681 300 HB3 SER 37 HB3 SER 37 4.794 -9.665 11.289 301 HG SER 37 HG SER 37 5.648 -7.458 11.408 302 H SER 38 H SER 38 5.153 -10.553 7.907 303 HA SER 38 HA SER 38 6.216 -13.275 8.364 304 HB2 SER 38 HB2 SER 38 3.245 -12.610 8.531 305 HB3 SER 38 HB3 SER 38 3.942 -14.235 8.563 306 HG SER 38 HG SER 38 5.017 -13.639 10.525 307 HA PRO 39 HA PRO 39 5.504 -13.381 3.926 308 HB2 PRO 39 HB2 PRO 39 5.591 -16.062 3.403 309 HB3 PRO 39 HB3 PRO 39 7.039 -15.108 3.847 310 HG2 PRO 39 HG2 PRO 39 5.294 -16.796 5.672 311 HG3 PRO 39 HG3 PRO 39 7.081 -16.812 5.530 312 HD2 PRO 39 HD2 PRO 39 5.810 -15.391 7.469 313 HD3 PRO 39 HD3 PRO 39 7.283 -14.756 6.678 314 H GLY 40 H GLY 40 3.818 -13.665 2.468 315 HA2 GLY 40 HA2 GLY 40 1.739 -14.301 1.635 316 HA3 GLY 40 HA3 GLY 40 1.421 -15.244 3.089 317 H ASP 41 H ASP 41 2.276 -12.331 4.313 318 HA ASP 41 HA ASP 41 -0.443 -11.079 4.153 319 HB2 ASP 41 HB2 ASP 41 1.706 -10.835 6.292 320 HB3 ASP 41 HB3 ASP 41 0.225 -9.883 6.230 321 H TYR 42 H TYR 42 -0.401 -8.662 4.130 322 HA TYR 42 HA TYR 42 1.968 -7.584 2.650 323 HB2 TYR 42 HB2 TYR 42 -0.948 -7.070 1.995 324 HB3 TYR 42 HB3 TYR 42 0.450 -6.421 1.152 325 HD1 TYR 42 HD1 TYR 42 2.041 -8.086 0.023 326 HD2 TYR 42 HD2 TYR 42 -1.887 -9.158 1.423 327 HE1 TYR 42 HE1 TYR 42 2.070 -10.122 -1.445 328 HE2 TYR 42 HE2 TYR 42 -1.864 -11.181 -0.039 329 HH TYR 42 HH TYR 42 0.928 -11.975 -2.144 330 H VAL 43 H VAL 43 2.000 -5.184 2.546 331 HA VAL 43 HA VAL 43 0.744 -3.817 4.888 332 HB VAL 43 HB VAL 43 3.693 -3.584 4.168 333 HG11 VAL 43 HG11 VAL 43 2.811 -1.472 5.082 334 HG12 VAL 43 HG12 VAL 43 2.058 -2.353 6.434 335 HG13 VAL 43 HG13 VAL 43 3.820 -2.274 6.286 336 HG21 VAL 43 HG21 VAL 43 2.375 -4.889 6.581 337 HG22 VAL 43 HG22 VAL 43 3.237 -5.724 5.284 338 HG23 VAL 43 HG23 VAL 43 4.124 -4.638 6.358 339 H LEU 44 H LEU 44 -0.056 -1.901 4.421 340 HA LEU 44 HA LEU 44 0.409 -0.579 1.796 341 HB2 LEU 44 HB2 LEU 44 -1.923 -0.957 2.438 342 HB3 LEU 44 HB3 LEU 44 -1.650 -0.264 4.013 343 HG LEU 44 HG LEU 44 -1.356 1.956 3.056 344 HD11 LEU 44 HD11 LEU 44 -0.393 1.611 0.909 345 HD12 LEU 44 HD12 LEU 44 -1.785 0.649 0.361 346 HD13 LEU 44 HD13 LEU 44 -1.949 2.393 0.672 347 HD21 LEU 44 HD21 LEU 44 -3.832 0.556 1.953 348 HD22 LEU 44 HD22 LEU 44 -3.632 1.114 3.629 349 HD23 LEU 44 HD23 LEU 44 -3.675 2.287 2.304 350 H SER 45 H SER 45 1.894 1.029 1.773 351 HA SER 45 HA SER 45 2.493 2.485 4.319 352 HB2 SER 45 HB2 SER 45 4.419 2.107 2.024 353 HB3 SER 45 HB3 SER 45 4.734 2.881 3.582 354 HG SER 45 HG SER 45 4.011 0.153 3.155 355 H CYS 46 H CYS 46 2.303 4.697 4.301 356 HA CYS 46 HA CYS 46 1.522 6.041 1.736 357 HB2 CYS 46 HB2 CYS 46 0.018 6.144 4.383 358 HB3 CYS 46 HB3 CYS 46 -0.350 7.112 2.950 359 HG CYS 46 HG CYS 46 -0.332 3.817 3.250 360 H SER 47 H SER 47 2.136 8.230 1.522 361 HA SER 47 HA SER 47 3.755 9.424 3.653 362 HB2 SER 47 HB2 SER 47 3.880 11.306 2.051 363 HB3 SER 47 HB3 SER 47 4.533 9.786 1.434 364 HG SER 47 HG SER 47 3.135 11.029 -0.013 365 H GLU 48 H GLU 48 2.778 10.252 5.308 366 HA GLU 48 HA GLU 48 0.228 11.823 5.008 367 HB2 GLU 48 HB2 GLU 48 0.730 9.501 6.896 368 HB3 GLU 48 HB3 GLU 48 -0.455 10.734 7.205 369 HG2 GLU 48 HG2 GLU 48 -1.524 10.228 4.966 370 HG3 GLU 48 HG3 GLU 48 -0.427 8.849 4.816 371 H ASN 49 H ASN 49 0.176 13.712 6.107 372 HA ASN 49 HA ASN 49 0.696 15.393 7.480 373 HB2 ASN 49 HB2 ASN 49 -0.498 13.689 8.911 374 HB3 ASN 49 HB3 ASN 49 1.067 13.214 9.562 375 HD21 ASN 49 HD22 ASN 49 -0.163 13.838 11.589 376 HD22 ASN 49 HD21 ASN 49 -0.077 15.529 12.070 377 H GLY 50 H GLY 50 2.888 14.727 5.924 378 HA2 GLY 50 HA2 GLY 50 5.073 15.441 5.686 379 HA3 GLY 50 HA3 GLY 50 5.018 16.045 7.343 380 H LYS 51 H LYS 51 4.205 12.766 7.321 381 HA LYS 51 HA LYS 51 6.992 11.729 7.567 382 HB2 LYS 51 HB2 LYS 51 6.352 10.418 9.524 383 HB3 LYS 51 HB3 LYS 51 6.143 12.134 9.836 384 HG2 LYS 51 HG2 LYS 51 3.734 11.972 9.586 385 HG3 LYS 51 HG3 LYS 51 3.850 10.280 9.051 386 HD2 LYS 51 HD2 LYS 51 4.710 9.632 11.271 387 HD3 LYS 51 HD3 LYS 51 4.628 11.329 11.804 388 HE2 LYS 51 HE2 LYS 51 2.182 11.348 11.351 389 HE3 LYS 51 HE3 LYS 51 2.258 9.665 10.824 390 HZ1 LYS 51 HZ1 LYS 51 2.950 9.050 13.075 391 HZ2 LYS 51 HZ2 LYS 51 2.925 10.611 13.563 392 HZ3 LYS 51 HZ3 LYS 51 1.533 9.869 13.143 393 H VAL 52 H VAL 52 6.527 9.125 7.939 394 HA VAL 52 HA VAL 52 4.717 8.234 5.731 395 HB VAL 52 HB VAL 52 7.442 7.072 6.362 396 HG11 VAL 52 HG11 VAL 52 5.929 5.296 5.642 397 HG12 VAL 52 HG12 VAL 52 5.305 6.306 4.324 398 HG13 VAL 52 HG13 VAL 52 6.967 5.701 4.278 399 HG21 VAL 52 HG21 VAL 52 6.419 8.741 4.031 400 HG22 VAL 52 HG22 VAL 52 7.730 9.147 5.154 401 HG23 VAL 52 HG23 VAL 52 7.950 7.838 4.000 402 H THR 53 H THR 53 3.353 6.674 6.177 403 HA THR 53 HA THR 53 3.366 5.388 8.877 404 HB THR 53 HB THR 53 0.879 5.351 8.585 405 HG1 THR 53 HG1 THR 53 0.075 6.872 7.009 406 HG21 THR 53 HG21 THR 53 1.982 7.113 9.936 407 HG22 THR 53 HG22 THR 53 2.111 8.142 8.492 408 HG23 THR 53 HG23 THR 53 0.515 7.705 9.136 409 H HIS 54 H HIS 54 2.339 3.289 9.016 410 HA HIS 54 HA HIS 54 2.300 1.669 6.520 411 HB2 HIS 54 HB2 HIS 54 3.753 0.825 9.047 412 HB3 HIS 54 HB3 HIS 54 3.644 -0.061 7.534 413 HD1 HIS 54 HD1 HIS 54 5.061 1.218 5.388 414 HD2 HIS 54 HD2 HIS 54 5.782 2.424 9.359 415 HE1 HIS 54 HE1 HIS 54 7.326 2.383 5.388 416 H TYR 55 H TYR 55 0.688 0.229 6.462 417 HA TYR 55 HA TYR 55 -0.860 -0.465 8.928 418 HB2 TYR 55 HB2 TYR 55 -1.997 0.281 6.205 419 HB3 TYR 55 HB3 TYR 55 -2.899 -0.094 7.672 420 HD1 TYR 55 HD1 TYR 55 -2.571 1.441 9.733 421 HD2 TYR 55 HD2 TYR 55 -1.323 2.515 5.741 422 HE1 TYR 55 HE1 TYR 55 -2.460 3.840 10.405 423 HE2 TYR 55 HE2 TYR 55 -1.247 4.904 6.404 424 HH TYR 55 HH TYR 55 -1.657 6.448 8.100 425 H LYS 56 H LYS 56 -1.229 -2.615 9.157 426 HA LYS 56 HA LYS 56 -0.182 -4.417 7.104 427 HB2 LYS 56 HB2 LYS 56 -1.352 -4.955 9.856 428 HB3 LYS 56 HB3 LYS 56 -0.699 -6.196 8.769 429 HG2 LYS 56 HG2 LYS 56 1.494 -5.030 8.728 430 HG3 LYS 56 HG3 LYS 56 0.865 -3.775 9.794 431 HD2 LYS 56 HD2 LYS 56 2.237 -5.301 11.041 432 HD3 LYS 56 HD3 LYS 56 0.563 -5.427 11.602 433 HE2 LYS 56 HE2 LYS 56 0.239 -7.514 10.423 434 HE3 LYS 56 HE3 LYS 56 1.762 -7.322 9.540 435 HZ1 LYS 56 HZ1 LYS 56 2.984 -7.622 11.555 436 HZ2 LYS 56 HZ2 LYS 56 1.627 -7.635 12.488 437 HZ3 LYS 56 HZ3 LYS 56 1.922 -8.866 11.458 438 H LEU 57 H LEU 57 -1.151 -5.509 5.663 439 HA LEU 57 HA LEU 57 -4.131 -5.703 5.470 440 HB2 LEU 57 HB2 LEU 57 -1.872 -5.839 3.453 441 HB3 LEU 57 HB3 LEU 57 -3.516 -6.313 3.050 442 HG LEU 57 HG LEU 57 -3.026 -3.568 4.184 443 HD11 LEU 57 HD11 LEU 57 -1.348 -3.601 2.498 444 HD12 LEU 57 HD12 LEU 57 -2.346 -4.533 1.387 445 HD13 LEU 57 HD13 LEU 57 -2.752 -2.845 1.712 446 HD21 LEU 57 HD21 LEU 57 -4.893 -4.558 1.993 447 HD22 LEU 57 HD22 LEU 57 -5.351 -4.430 3.703 448 HD23 LEU 57 HD23 LEU 57 -4.926 -2.971 2.788 449 H SER 58 H SER 58 -4.275 -7.369 6.923 450 HA SER 58 HA SER 58 -2.576 -9.760 6.811 451 HB2 SER 58 HB2 SER 58 -4.950 -9.011 8.554 452 HB3 SER 58 HB3 SER 58 -3.986 -10.485 8.742 453 HG SER 58 HG SER 58 -3.258 -8.783 10.115 454 H ALA 59 H ALA 59 -3.117 -11.782 6.087 455 HA ALA 59 HA ALA 59 -5.512 -12.091 4.426 456 HB1 ALA 59 HB1 ALA 59 -3.372 -13.049 3.726 457 HB2 ALA 59 HB2 ALA 59 -3.325 -14.060 5.188 458 HB3 ALA 59 HB3 ALA 59 -4.589 -14.320 3.965 459 H GLU 60 H GLU 60 -7.428 -12.820 5.069 460 HA GLU 60 HA GLU 60 -7.718 -14.591 7.460 461 HB2 GLU 60 HB2 GLU 60 -8.081 -12.191 8.076 462 HB3 GLU 60 HB3 GLU 60 -9.388 -12.103 6.889 463 HG2 GLU 60 HG2 GLU 60 -10.551 -13.976 8.119 464 HG3 GLU 60 HG3 GLU 60 -9.264 -13.935 9.328 465 H GLU 61 H GLU 61 -8.497 -16.433 6.583 466 HA GLU 61 HA GLU 61 -9.554 -17.902 5.238 467 HB2 GLU 61 HB2 GLU 61 -11.364 -16.795 6.703 468 HB3 GLU 61 HB3 GLU 61 -11.957 -16.082 5.202 469 HG2 GLU 61 HG2 GLU 61 -12.206 -18.396 4.252 470 HG3 GLU 61 HG3 GLU 61 -11.552 -19.067 5.743 471 H GLY 62 H GLY 62 -7.962 -16.020 3.883 472 HA2 GLY 62 HA2 GLY 62 -7.242 -15.813 1.659 473 HA3 GLY 62 HA3 GLY 62 -8.786 -16.441 1.084 474 H LYS 63 H LYS 63 -9.566 -14.012 3.214 475 HA LYS 63 HA LYS 63 -9.694 -11.854 1.142 476 HB2 LYS 63 HB2 LYS 63 -11.407 -12.339 3.619 477 HB3 LYS 63 HB3 LYS 63 -11.550 -10.963 2.531 478 HG2 LYS 63 HG2 LYS 63 -11.875 -12.644 0.624 479 HG3 LYS 63 HG3 LYS 63 -12.060 -13.886 1.877 480 HD2 LYS 63 HD2 LYS 63 -13.926 -12.480 2.867 481 HD3 LYS 63 HD3 LYS 63 -13.810 -11.419 1.464 482 HE2 LYS 63 HE2 LYS 63 -14.556 -14.373 1.506 483 HE3 LYS 63 HE3 LYS 63 -15.625 -13.014 1.160 484 HZ1 LYS 63 HZ1 LYS 63 -14.259 -12.594 -0.882 485 HZ2 LYS 63 HZ2 LYS 63 -13.374 -13.923 -0.552 486 HZ3 LYS 63 HZ3 LYS 63 -14.960 -14.067 -0.889 487 H ILE 64 H ILE 64 -9.787 -9.595 2.336 488 HA ILE 64 HA ILE 64 -7.132 -9.399 3.710 489 HB ILE 64 HB ILE 64 -8.615 -7.551 1.818 490 HG12 ILE 64 HG12 ILE 64 -7.480 -9.385 0.669 491 HG13 ILE 64 HG13 ILE 64 -6.730 -7.845 0.325 492 HG21 ILE 64 HG21 ILE 64 -7.567 -6.090 3.424 493 HG22 ILE 64 HG22 ILE 64 -6.040 -6.992 3.340 494 HG23 ILE 64 HG23 ILE 64 -6.633 -6.064 1.938 495 HD11 ILE 64 HD11 ILE 64 -4.875 -8.378 1.914 496 HD12 ILE 64 HD12 ILE 64 -5.620 -9.969 2.213 497 HD13 ILE 64 HD13 ILE 64 -5.026 -9.553 0.600 498 H ARG 65 H ARG 65 -7.146 -8.884 5.762 499 HA ARG 65 HA ARG 65 -9.254 -7.078 6.889 500 HB2 ARG 65 HB2 ARG 65 -9.046 -9.317 7.956 501 HB3 ARG 65 HB3 ARG 65 -7.345 -9.007 8.259 502 HG2 ARG 65 HG2 ARG 65 -8.407 -8.621 10.316 503 HG3 ARG 65 HG3 ARG 65 -8.034 -7.025 9.696 504 HD2 ARG 65 HD2 ARG 65 -10.209 -6.869 10.607 505 HD3 ARG 65 HD3 ARG 65 -10.464 -6.918 8.857 506 HE ARG 65 HE ARG 65 -10.564 -9.592 9.799 507 HH11 ARG 65 HH11 ARG 65 -12.552 -6.707 10.425 508 HH12 ARG 65 HH12 ARG 65 -13.949 -7.696 10.719 509 HH21 ARG 65 HH21 ARG 65 -12.412 -10.696 10.052 510 HH22 ARG 65 HH22 ARG 65 -13.877 -9.875 10.550 511 H ILE 66 H ILE 66 -8.686 -5.053 7.399 512 HA ILE 66 HA ILE 66 -5.894 -4.415 8.141 513 HB ILE 66 HB ILE 66 -5.833 -3.911 5.853 514 HG12 ILE 66 HG12 ILE 66 -6.271 -1.261 7.268 515 HG13 ILE 66 HG13 ILE 66 -4.849 -2.271 7.508 516 HG21 ILE 66 HG21 ILE 66 -8.285 -3.763 5.376 517 HG22 ILE 66 HG22 ILE 66 -8.296 -2.145 6.106 518 HG23 ILE 66 HG23 ILE 66 -7.359 -2.474 4.632 519 HD11 ILE 66 HD11 ILE 66 -4.209 -2.024 5.166 520 HD12 ILE 66 HD12 ILE 66 -5.661 -1.061 4.826 521 HD13 ILE 66 HD13 ILE 66 -4.427 -0.435 5.915 522 H ASP 67 H ASP 67 -5.786 -3.290 9.907 523 HA ASP 67 HA ASP 67 -6.443 -2.530 11.907 524 HB2 ASP 67 HB2 ASP 67 -6.569 -0.404 10.690 525 HB3 ASP 67 HB3 ASP 67 -8.280 -0.673 10.371 526 H THR 68 H THR 68 -9.789 -1.834 11.167 527 HA THR 68 HA THR 68 -10.654 -4.466 12.319 528 HB THR 68 HB THR 68 -12.770 -3.327 12.880 529 HG1 THR 68 HG1 THR 68 -12.801 -1.062 12.784 530 HG21 THR 68 HG21 THR 68 -10.951 -3.483 14.573 531 HG22 THR 68 HG22 THR 68 -10.349 -1.892 14.058 532 HG23 THR 68 HG23 THR 68 -11.963 -2.044 14.785 533 H HIS 69 H HIS 69 -10.559 -2.749 9.354 534 HA HIS 69 HA HIS 69 -13.198 -3.497 8.377 535 HB2 HIS 69 HB2 HIS 69 -10.824 -2.194 6.996 536 HB3 HIS 69 HB3 HIS 69 -12.443 -2.372 6.327 537 HD1 HIS 69 HD1 HIS 69 -14.211 -0.519 7.014 538 HD2 HIS 69 HD2 HIS 69 -10.517 -0.363 9.026 539 HE1 HIS 69 HE1 HIS 69 -14.173 1.702 8.265 540 H LEU 70 H LEU 70 -13.669 -5.148 7.123 541 HA LEU 70 HA LEU 70 -11.517 -6.886 6.001 542 HB2 LEU 70 HB2 LEU 70 -13.164 -7.932 7.638 543 HB3 LEU 70 HB3 LEU 70 -14.415 -7.648 6.433 544 HG LEU 70 HG LEU 70 -12.959 -9.046 4.811 545 HD11 LEU 70 HD11 LEU 70 -10.855 -8.978 6.218 546 HD12 LEU 70 HD12 LEU 70 -11.679 -9.969 7.424 547 HD13 LEU 70 HD13 LEU 70 -11.376 -10.614 5.799 548 HD21 LEU 70 HD21 LEU 70 -14.095 -10.390 7.295 549 HD22 LEU 70 HD22 LEU 70 -15.012 -9.911 5.848 550 HD23 LEU 70 HD23 LEU 70 -13.778 -11.176 5.732 551 H PHE 71 H PHE 71 -11.310 -7.096 3.891 552 HA PHE 71 HA PHE 71 -13.405 -6.154 1.984 553 HB2 PHE 71 HB2 PHE 71 -10.400 -5.694 1.782 554 HB3 PHE 71 HB3 PHE 71 -11.602 -5.270 0.574 555 HD1 PHE 71 HD1 PHE 71 -13.441 -3.555 1.239 556 HD2 PHE 71 HD2 PHE 71 -9.846 -4.190 3.536 557 HE1 PHE 71 HE1 PHE 71 -13.791 -1.385 2.393 558 HE2 PHE 71 HE2 PHE 71 -10.172 -1.985 4.643 559 HZ PHE 71 HZ PHE 71 -12.157 -0.608 4.105 560 H ASP 72 H ASP 72 -13.360 -7.211 -0.073 561 HA ASP 72 HA ASP 72 -12.761 -9.986 0.065 562 HB2 ASP 72 HB2 ASP 72 -14.561 -9.045 -1.299 563 HB3 ASP 72 HB3 ASP 72 -13.391 -8.181 -2.301 564 H ASN 73 H ASN 73 -10.904 -7.309 -1.277 565 HA ASN 73 HA ASN 73 -8.501 -8.939 -1.656 566 HB2 ASN 73 HB2 ASN 73 -8.341 -8.378 -4.085 567 HB3 ASN 73 HB3 ASN 73 -9.703 -9.431 -3.725 568 HD21 ASN 73 HD22 ASN 73 -11.806 -8.729 -4.300 569 HD22 ASN 73 HD21 ASN 73 -12.070 -7.129 -4.994 570 H LEU 74 H LEU 74 -6.723 -7.533 -2.658 571 HA LEU 74 HA LEU 74 -6.269 -5.291 -0.972 572 HB2 LEU 74 HB2 LEU 74 -4.915 -6.207 -3.538 573 HB3 LEU 74 HB3 LEU 74 -4.330 -4.885 -2.533 574 HG LEU 74 HG LEU 74 -4.552 -7.791 -1.678 575 HD11 LEU 74 HD11 LEU 74 -2.716 -7.307 -3.260 576 HD12 LEU 74 HD12 LEU 74 -2.147 -6.005 -2.191 577 HD13 LEU 74 HD13 LEU 74 -2.100 -7.691 -1.641 578 HD21 LEU 74 HD21 LEU 74 -3.575 -5.312 -0.216 579 HD22 LEU 74 HD22 LEU 74 -4.881 -6.395 0.297 580 HD23 LEU 74 HD23 LEU 74 -3.214 -6.972 0.323 581 H ASP 75 H ASP 75 -7.324 -5.353 -4.414 582 HA ASP 75 HA ASP 75 -7.077 -2.530 -4.823 583 HB2 ASP 75 HB2 ASP 75 -7.164 -4.217 -6.623 584 HB3 ASP 75 HB3 ASP 75 -8.845 -4.566 -6.227 585 H ALA 76 H ALA 76 -9.810 -4.497 -3.617 586 HA ALA 76 HA ALA 76 -11.697 -2.346 -3.407 587 HB1 ALA 76 HB1 ALA 76 -12.341 -4.714 -3.353 588 HB2 ALA 76 HB2 ALA 76 -11.452 -4.944 -1.832 589 HB3 ALA 76 HB3 ALA 76 -12.878 -3.887 -1.875 590 H ALA 77 H ALA 77 -9.218 -3.546 -1.091 591 HA ALA 77 HA ALA 77 -9.954 -1.772 1.050 592 HB1 ALA 77 HB1 ALA 77 -8.594 -3.856 1.291 593 HB2 ALA 77 HB2 ALA 77 -7.256 -3.064 0.439 594 HB3 ALA 77 HB3 ALA 77 -7.806 -2.433 2.004 595 H ILE 78 H ILE 78 -7.511 -1.461 -1.571 596 HA ILE 78 HA ILE 78 -6.587 1.172 -0.915 597 HB ILE 78 HB ILE 78 -6.778 -0.351 -3.540 598 HG12 ILE 78 HG12 ILE 78 -5.253 -1.402 -1.960 599 HG13 ILE 78 HG13 ILE 78 -4.376 -0.714 -3.306 600 HG21 ILE 78 HG21 ILE 78 -6.688 1.981 -4.171 601 HG22 ILE 78 HG22 ILE 78 -5.329 2.276 -3.068 602 HG23 ILE 78 HG23 ILE 78 -5.123 1.231 -4.482 603 HD11 ILE 78 HD11 ILE 78 -3.675 1.189 -1.846 604 HD12 ILE 78 HD12 ILE 78 -4.564 0.450 -0.492 605 HD13 ILE 78 HD13 ILE 78 -3.191 -0.389 -1.217 606 H THR 79 H THR 79 -9.195 0.167 -3.120 607 HA THR 79 HA THR 79 -10.110 2.742 -3.865 608 HB THR 79 HB THR 79 -11.767 0.203 -3.589 609 HG1 THR 79 HG1 THR 79 -10.136 -0.136 -4.999 610 HG21 THR 79 HG21 THR 79 -13.268 2.120 -3.863 611 HG22 THR 79 HG22 THR 79 -12.262 2.757 -5.184 612 HG23 THR 79 HG23 THR 79 -13.161 1.237 -5.389 613 H PHE 80 H PHE 80 -11.159 0.773 -1.010 614 HA PHE 80 HA PHE 80 -13.109 2.606 -0.064 615 HB2 PHE 80 HB2 PHE 80 -12.827 0.330 0.792 616 HB3 PHE 80 HB3 PHE 80 -11.267 0.754 1.488 617 HD1 PHE 80 HD2 PHE 80 -14.942 1.222 1.764 618 HD2 PHE 80 HD1 PHE 80 -11.108 2.082 3.540 619 HE1 PHE 80 HE2 PHE 80 -16.072 1.993 3.837 620 HE2 PHE 80 HE1 PHE 80 -12.240 2.853 5.612 621 HZ PHE 80 HZ PHE 80 -14.724 2.815 5.760 622 H TYR 81 H TYR 81 -9.564 2.526 0.602 623 HA TYR 81 HA TYR 81 -9.742 5.018 2.104 624 HB2 TYR 81 HB2 TYR 81 -7.358 3.358 1.300 625 HB3 TYR 81 HB3 TYR 81 -7.292 4.803 2.314 626 HD1 TYR 81 HD1 TYR 81 -9.199 4.774 4.293 627 HD2 TYR 81 HD2 TYR 81 -7.253 1.348 2.532 628 HE1 TYR 81 HE1 TYR 81 -9.655 3.458 6.352 629 HE2 TYR 81 HE2 TYR 81 -7.736 0.027 4.589 630 HH TYR 81 HH TYR 81 -9.438 1.440 7.400 631 H MET 82 H MET 82 -9.986 4.620 -1.142 632 HA MET 82 HA MET 82 -8.750 7.270 -1.777 633 HB2 MET 82 HB2 MET 82 -10.168 5.201 -3.503 634 HB3 MET 82 HB3 MET 82 -9.752 6.819 -4.058 635 HG2 MET 82 HG2 MET 82 -7.398 6.430 -3.683 636 HG3 MET 82 HG3 MET 82 -7.718 4.833 -2.999 637 HE1 MET 82 HE1 MET 82 -5.716 5.774 -5.506 638 HE2 MET 82 HE2 MET 82 -5.721 4.216 -4.653 639 HE3 MET 82 HE3 MET 82 -5.840 4.258 -6.428 640 H GLU 83 H GLU 83 -11.908 5.637 -1.411 641 HA GLU 83 HA GLU 83 -13.496 8.041 -1.851 642 HB2 GLU 83 HB2 GLU 83 -14.126 5.311 -0.656 643 HB3 GLU 83 HB3 GLU 83 -15.333 6.567 -0.921 644 HG2 GLU 83 HG2 GLU 83 -13.643 5.315 -3.133 645 HG3 GLU 83 HG3 GLU 83 -15.269 4.816 -2.700 646 H HIS 84 H HIS 84 -12.058 6.531 0.996 647 HA HIS 84 HA HIS 84 -13.099 8.730 2.739 648 HB2 HIS 84 HB2 HIS 84 -12.641 5.822 3.507 649 HB3 HIS 84 HB3 HIS 84 -13.266 7.099 4.547 650 HD1 HIS 84 HD1 HIS 84 -15.803 8.092 3.704 651 HD2 HIS 84 HD2 HIS 84 -14.399 4.447 2.140 652 HE1 HIS 84 HE1 HIS 84 -17.830 6.922 2.691 653 H GLU 85 H GLU 85 -11.716 9.292 4.570 654 HA GLU 85 HA GLU 85 -8.859 9.214 3.940 655 HB2 GLU 85 HB2 GLU 85 -10.356 10.289 6.352 656 HB3 GLU 85 HB3 GLU 85 -8.614 10.446 6.087 657 HG2 GLU 85 HG2 GLU 85 -9.005 11.688 3.997 658 HG3 GLU 85 HG3 GLU 85 -10.751 11.536 4.201 659 H LEU 86 H LEU 86 -7.207 8.181 5.030 660 HA LEU 86 HA LEU 86 -7.912 5.585 6.181 661 HB2 LEU 86 HB2 LEU 86 -6.155 6.151 4.385 662 HB3 LEU 86 HB3 LEU 86 -5.134 6.725 5.687 663 HG LEU 86 HG LEU 86 -6.280 3.917 5.405 664 HD11 LEU 86 HD11 LEU 86 -4.593 4.448 3.704 665 HD12 LEU 86 HD12 LEU 86 -3.461 4.974 4.969 666 HD13 LEU 86 HD13 LEU 86 -3.961 3.273 4.865 667 HD21 LEU 86 HD21 LEU 86 -4.370 5.057 7.460 668 HD22 LEU 86 HD22 LEU 86 -5.926 4.239 7.747 669 HD23 LEU 86 HD23 LEU 86 -4.554 3.318 7.148 670 H GLU 87 H GLU 87 -5.647 8.146 7.180 671 HA GLU 87 HA GLU 87 -6.604 7.960 10.006 672 HB2 GLU 87 HB2 GLU 87 -4.681 6.369 9.728 673 HB3 GLU 87 HB3 GLU 87 -3.683 7.725 9.195 674 HG2 GLU 87 HG2 GLU 87 -3.155 7.309 11.477 675 HG3 GLU 87 HG3 GLU 87 -4.048 8.819 11.435 676 H TYR 88 H TYR 88 -4.133 9.575 7.949 677 HA TYR 88 HA TYR 88 -4.859 12.230 9.145 678 HB2 TYR 88 HB2 TYR 88 -2.388 11.291 7.694 679 HB3 TYR 88 HB3 TYR 88 -2.607 12.888 8.339 680 HD1 TYR 88 HD1 TYR 88 -2.852 13.186 10.885 681 HD2 TYR 88 HD2 TYR 88 -1.507 9.512 9.062 682 HE1 TYR 88 HE1 TYR 88 -1.794 12.500 13.035 683 HE2 TYR 88 HE2 TYR 88 -0.436 8.840 11.202 684 HH TYR 88 HH TYR 88 -0.592 10.894 14.136 685 H SER 89 H SER 89 -4.453 10.400 6.117 686 HA SER 89 HA SER 89 -6.108 12.384 4.697 687 HB2 SER 89 HB2 SER 89 -3.580 12.954 4.436 688 HB3 SER 89 HB3 SER 89 -3.483 11.479 3.461 689 HG SER 89 HG SER 89 -4.944 13.874 2.999 690 H SER 90 H SER 90 -6.351 11.555 2.300 691 HA SER 90 HA SER 90 -7.097 8.667 2.319 692 HB2 SER 90 HB2 SER 90 -8.330 9.219 0.248 693 HB3 SER 90 HB3 SER 90 -8.884 10.147 1.650 694 HG SER 90 HG SER 90 -8.612 11.467 -0.218 695 H LEU 91 H LEU 91 -6.686 7.514 0.245 696 HA LEU 91 HA LEU 91 -3.897 7.707 -0.640 697 HB2 LEU 91 HB2 LEU 91 -6.218 6.036 -1.680 698 HB3 LEU 91 HB3 LEU 91 -4.527 5.819 -2.084 699 HG LEU 91 HG LEU 91 -5.900 5.284 0.564 700 HD11 LEU 91 HD11 LEU 91 -6.074 3.570 -1.245 701 HD12 LEU 91 HD12 LEU 91 -4.306 3.483 -1.295 702 HD13 LEU 91 HD13 LEU 91 -5.186 2.983 0.164 703 HD21 LEU 91 HD21 LEU 91 -2.934 5.151 -0.011 704 HD22 LEU 91 HD22 LEU 91 -3.733 6.232 1.151 705 HD23 LEU 91 HD23 LEU 91 -3.730 4.490 1.424 706 H LYS 92 H LYS 92 -3.186 8.995 -2.244 707 HA LYS 92 HA LYS 92 -5.182 10.273 -4.087 708 HB2 LYS 92 HB2 LYS 92 -2.424 11.302 -3.328 709 HB3 LYS 92 HB3 LYS 92 -3.660 12.126 -4.278 710 HG2 LYS 92 HG2 LYS 92 -5.196 12.134 -2.292 711 HG3 LYS 92 HG3 LYS 92 -3.921 11.360 -1.343 712 HD2 LYS 92 HD2 LYS 92 -2.449 13.387 -2.137 713 HD3 LYS 92 HD3 LYS 92 -3.996 14.171 -2.461 714 HE2 LYS 92 HE2 LYS 92 -4.668 13.981 -0.130 715 HE3 LYS 92 HE3 LYS 92 -3.356 12.856 0.218 716 HZ1 LYS 92 HZ1 LYS 92 -1.780 14.659 -0.291 717 HZ2 LYS 92 HZ2 LYS 92 -3.018 15.727 -0.427 718 HZ3 LYS 92 HZ3 LYS 92 -2.702 15.013 1.017 719 H GLN 93 H GLN 93 -1.937 8.764 -4.103 720 HA GLN 93 HA GLN 93 -2.361 7.944 -6.887 721 HB2 GLN 93 HB2 GLN 93 -0.338 9.005 -7.754 722 HB3 GLN 93 HB3 GLN 93 -1.478 10.212 -7.157 723 HG2 GLN 93 HG2 GLN 93 -0.132 10.349 -5.017 724 HG3 GLN 93 HG3 GLN 93 1.034 9.231 -5.727 725 HE21 GLN 93 HE22 GLN 93 2.237 11.318 -4.961 726 HE22 GLN 93 HE21 GLN 93 2.521 12.487 -6.262 727 HA PRO 94 HA PRO 94 0.355 4.627 -5.486 728 HB2 PRO 94 HB2 PRO 94 1.012 3.438 -7.837 729 HB3 PRO 94 HB3 PRO 94 -0.649 3.365 -7.173 730 HG2 PRO 94 HG2 PRO 94 0.388 5.271 -9.280 731 HG3 PRO 94 HG3 PRO 94 -1.089 4.253 -9.326 732 HD2 PRO 94 HD2 PRO 94 -1.153 6.871 -8.557 733 HD3 PRO 94 HD3 PRO 94 -2.218 5.647 -7.805 734 H LEU 95 H LEU 95 2.576 4.436 -5.137 735 HA LEU 95 HA LEU 95 4.425 6.441 -5.933 736 HB2 LEU 95 HB2 LEU 95 4.801 5.022 -3.982 737 HB3 LEU 95 HB3 LEU 95 4.849 3.583 -4.997 738 HG LEU 95 HG LEU 95 6.927 4.407 -6.091 739 HD11 LEU 95 HD11 LEU 95 6.672 6.862 -5.758 740 HD12 LEU 95 HD12 LEU 95 6.800 6.628 -4.003 741 HD13 LEU 95 HD13 LEU 95 8.181 6.282 -5.062 742 HD21 LEU 95 HD21 LEU 95 7.211 4.425 -3.079 743 HD22 LEU 95 HD22 LEU 95 6.997 2.951 -4.057 744 HD23 LEU 95 HD23 LEU 95 8.428 3.967 -4.284 745 H GLN 96 H GLN 96 5.785 6.677 -7.640 746 HA GLN 96 HA GLN 96 5.189 5.149 -10.066 747 HB2 GLN 96 HB2 GLN 96 7.041 7.516 -9.608 748 HB3 GLN 96 HB3 GLN 96 6.574 6.852 -11.175 749 HG2 GLN 96 HG2 GLN 96 4.693 8.173 -9.157 750 HG3 GLN 96 HG3 GLN 96 5.290 8.880 -10.648 751 HE21 GLN 96 HE22 GLN 96 2.760 6.865 -9.278 752 HE22 GLN 96 HE21 GLN 96 2.037 6.474 -10.832 753 H ARG 97 H ARG 97 6.748 4.167 -11.418 754 HA ARG 97 HA ARG 97 9.271 3.233 -10.191 755 HB2 ARG 97 HB2 ARG 97 8.839 0.984 -10.314 756 HB3 ARG 97 HB3 ARG 97 7.359 1.624 -9.628 757 HG2 ARG 97 HG2 ARG 97 7.803 0.708 -12.502 758 HG3 ARG 97 HG3 ARG 97 6.940 -0.167 -11.251 759 HD2 ARG 97 HD2 ARG 97 5.151 1.452 -11.197 760 HD3 ARG 97 HD3 ARG 97 6.011 2.550 -12.273 761 HE ARG 97 HE ARG 97 4.513 0.175 -13.032 762 HH11 ARG 97 HH11 ARG 97 7.053 2.377 -14.155 763 HH12 ARG 97 HH12 ARG 97 6.692 2.019 -15.826 764 HH21 ARG 97 HH21 ARG 97 4.177 -0.219 -15.183 765 HH22 ARG 97 HH22 ARG 97 5.141 0.592 -16.384 Start of MODEL 7 1 H1 GLY -6 H1 GLY -6 15.371 -8.734 -25.799 2 H2 GLY -6 H2 GLY -6 15.733 -7.922 -27.174 3 H3 GLY -6 H3 GLY -6 16.691 -9.154 -26.673 4 HA2 GLY -6 HA2 GLY -6 17.359 -7.927 -24.715 5 HA3 GLY -6 HA3 GLY -6 17.766 -7.061 -26.209 6 H SER -5 H SER -5 17.237 -6.069 -23.450 7 HA SER -5 HA SER -5 15.099 -4.062 -24.031 8 HB2 SER -5 HB2 SER -5 15.437 -5.596 -21.424 9 HB3 SER -5 HB3 SER -5 14.305 -4.261 -21.709 10 HG SER -5 HG SER -5 13.318 -6.326 -21.934 11 H SER -4 H SER -4 15.368 -2.040 -23.038 12 HA SER -4 HA SER -4 17.977 -1.056 -22.656 13 HB2 SER -4 HB2 SER -4 15.372 0.090 -21.575 14 HB3 SER -4 HB3 SER -4 16.902 0.968 -21.783 15 HG SER -4 HG SER -4 15.468 1.289 -23.555 16 H GLY -3 H GLY -3 19.360 -0.924 -20.974 17 HA2 GLY -3 HA2 GLY -3 20.314 -1.277 -18.917 18 HA3 GLY -3 HA3 GLY -3 18.741 -0.922 -18.197 19 H SER -2 H SER -2 18.810 -3.630 -20.376 20 HA SER -2 HA SER -2 18.197 -5.761 -20.119 21 HB2 SER -2 HB2 SER -2 20.034 -5.812 -17.709 22 HB3 SER -2 HB3 SER -2 19.414 -7.216 -18.594 23 HG SER -2 HG SER -2 21.526 -6.602 -19.278 24 H SER -1 H SER -1 16.570 -3.671 -18.687 25 HA SER -1 HA SER -1 15.490 -4.844 -16.303 26 HB2 SER -1 HB2 SER -1 14.358 -2.731 -18.168 27 HB3 SER -1 HB3 SER -1 13.692 -3.152 -16.579 28 HG SER -1 HG SER -1 15.143 -1.354 -16.495 29 H GLY 0 H GLY 0 13.685 -6.002 -15.887 30 HA2 GLY 0 HA2 GLY 0 12.406 -7.575 -18.031 31 HA3 GLY 0 HA3 GLY 0 12.195 -7.753 -16.294 32 H MET 1 H MET 1 9.945 -8.017 -16.944 33 HA MET 1 HA MET 1 8.445 -5.436 -16.909 34 HB2 MET 1 HB2 MET 1 7.744 -7.900 -18.558 35 HB3 MET 1 HB3 MET 1 6.691 -6.501 -18.314 36 HG2 MET 1 HG2 MET 1 8.415 -5.036 -19.348 37 HG3 MET 1 HG3 MET 1 9.399 -6.456 -19.699 38 HE1 MET 1 HE1 MET 1 8.887 -8.256 -21.500 39 HE2 MET 1 HE2 MET 1 7.340 -8.677 -20.727 40 HE3 MET 1 HE3 MET 1 7.397 -8.327 -22.465 41 H ALA 2 H ALA 2 6.444 -5.501 -15.780 42 HA ALA 2 HA ALA 2 6.414 -7.264 -13.489 43 HB1 ALA 2 HB1 ALA 2 5.727 -4.904 -13.358 44 HB2 ALA 2 HB2 ALA 2 4.368 -5.225 -14.463 45 HB3 ALA 2 HB3 ALA 2 4.409 -5.981 -12.857 46 H GLU 3 H GLU 3 5.054 -8.944 -12.971 47 HA GLU 3 HA GLU 3 3.761 -10.357 -15.193 48 HB2 GLU 3 HB2 GLU 3 5.327 -11.409 -13.532 49 HB3 GLU 3 HB3 GLU 3 4.065 -11.255 -12.308 50 HG2 GLU 3 HG2 GLU 3 2.561 -12.672 -13.734 51 HG3 GLU 3 HG3 GLU 3 3.822 -12.756 -14.962 52 H ALA 4 H ALA 4 2.280 -8.404 -15.282 53 HA ALA 4 HA ALA 4 0.303 -7.373 -15.083 54 HB1 ALA 4 HB1 ALA 4 -0.418 -9.575 -15.932 55 HB2 ALA 4 HB2 ALA 4 -0.745 -10.091 -14.259 56 HB3 ALA 4 HB3 ALA 4 -1.676 -8.763 -14.980 57 H ALA 5 H ALA 5 1.949 -7.657 -12.529 58 HA ALA 5 HA ALA 5 0.206 -7.507 -10.284 59 HB1 ALA 5 HB1 ALA 5 2.613 -8.035 -10.144 60 HB2 ALA 5 HB2 ALA 5 3.014 -6.375 -10.652 61 HB3 ALA 5 HB3 ALA 5 2.194 -6.662 -9.103 62 H ALA 6 H ALA 6 -0.414 -5.743 -8.972 63 HA ALA 6 HA ALA 6 -1.660 -3.599 -10.274 64 HB1 ALA 6 HB1 ALA 6 -2.324 -4.550 -8.100 65 HB2 ALA 6 HB2 ALA 6 -0.861 -3.871 -7.347 66 HB3 ALA 6 HB3 ALA 6 -2.108 -2.798 -8.005 67 HA PRO 7 HA PRO 7 1.460 -0.534 -10.885 68 HB2 PRO 7 HB2 PRO 7 0.101 1.839 -10.720 69 HB3 PRO 7 HB3 PRO 7 -0.104 0.670 -12.059 70 HG2 PRO 7 HG2 PRO 7 -1.819 0.966 -9.573 71 HG3 PRO 7 HG3 PRO 7 -2.357 0.877 -11.282 72 HD2 PRO 7 HD2 PRO 7 -2.369 -1.314 -9.697 73 HD3 PRO 7 HD3 PRO 7 -1.873 -1.437 -11.412 74 H TRP 8 H TRP 8 -0.236 -0.566 -7.851 75 HA TRP 8 HA TRP 8 1.749 1.155 -6.485 76 HB2 TRP 8 HB2 TRP 8 0.074 0.505 -4.520 77 HB3 TRP 8 HB3 TRP 8 -0.250 1.777 -5.647 78 HD1 TRP 8 HD1 TRP 8 -2.309 1.549 -7.239 79 HE1 TRP 8 HE1 TRP 8 -4.260 -0.108 -7.447 80 HE3 TRP 8 HE3 TRP 8 -0.549 -2.157 -4.198 81 HZ2 TRP 8 HZ2 TRP 8 -5.018 -2.642 -6.334 82 HZ3 TRP 8 HZ3 TRP 8 -1.929 -4.185 -3.753 83 HH2 TRP 8 HH2 TRP 8 -4.150 -4.444 -4.841 84 H TYR 9 H TYR 9 1.764 -2.110 -7.312 85 HA TYR 9 HA TYR 9 2.640 -3.042 -4.650 86 HB2 TYR 9 HB2 TYR 9 1.059 -4.369 -5.975 87 HB3 TYR 9 HB3 TYR 9 2.287 -4.594 -7.219 88 HD1 TYR 9 HD2 TYR 9 1.670 -5.072 -3.535 89 HD2 TYR 9 HD1 TYR 9 3.767 -6.458 -7.045 90 HE1 TYR 9 HE2 TYR 9 2.525 -7.031 -2.255 91 HE2 TYR 9 HE1 TYR 9 4.596 -8.427 -5.767 92 HH TYR 9 HH TYR 9 4.587 -9.542 -3.765 93 H HIS 10 H HIS 10 4.641 -3.310 -4.010 94 HA HIS 10 HA HIS 10 6.909 -3.072 -5.959 95 HB2 HIS 10 HB2 HIS 10 6.506 -1.979 -3.163 96 HB3 HIS 10 HB3 HIS 10 8.104 -2.139 -3.879 97 HD1 HIS 10 HD1 HIS 10 8.906 -0.226 -5.424 98 HD2 HIS 10 HD2 HIS 10 4.770 -0.277 -4.678 99 HE1 HIS 10 HE1 HIS 10 7.971 1.927 -6.419 100 H GLY 11 H GLY 11 5.512 -5.500 -4.142 101 HA2 GLY 11 HA2 GLY 11 6.328 -7.611 -3.579 102 HA3 GLY 11 HA3 GLY 11 7.770 -7.194 -4.491 103 HA PRO 12 HA PRO 12 9.237 -7.860 -0.201 104 HB2 PRO 12 HB2 PRO 12 11.839 -8.154 -1.690 105 HB3 PRO 12 HB3 PRO 12 11.178 -9.147 -0.353 106 HG2 PRO 12 HG2 PRO 12 11.019 -10.044 -2.887 107 HG3 PRO 12 HG3 PRO 12 9.570 -10.161 -1.828 108 HD2 PRO 12 HD2 PRO 12 10.223 -8.010 -3.877 109 HD3 PRO 12 HD3 PRO 12 8.724 -8.967 -3.683 110 H LEU 13 H LEU 13 8.952 -5.095 -1.106 111 HA LEU 13 HA LEU 13 11.356 -3.588 -0.566 112 HB2 LEU 13 HB2 LEU 13 9.188 -2.959 -1.903 113 HB3 LEU 13 HB3 LEU 13 8.505 -2.593 -0.331 114 HG LEU 13 HG LEU 13 10.474 -0.987 0.016 115 HD11 LEU 13 HD11 LEU 13 11.977 -1.759 -1.764 116 HD12 LEU 13 HD12 LEU 13 10.713 -1.508 -2.987 117 HD13 LEU 13 HD13 LEU 13 11.434 -0.120 -2.165 118 HD21 LEU 13 HD21 LEU 13 8.536 -0.388 -2.251 119 HD22 LEU 13 HD22 LEU 13 8.177 -0.246 -0.519 120 HD23 LEU 13 HD23 LEU 13 9.400 0.798 -1.254 121 H SER 14 H SER 14 12.093 -2.689 1.349 122 HA SER 14 HA SER 14 10.772 -3.498 3.890 123 HB2 SER 14 HB2 SER 14 13.216 -3.948 3.454 124 HB3 SER 14 HB3 SER 14 13.477 -2.192 3.576 125 HG SER 14 HG SER 14 13.741 -3.366 5.584 126 H ARG 15 H ARG 15 11.111 -1.796 5.706 127 HA ARG 15 HA ARG 15 9.402 0.477 5.240 128 HB2 ARG 15 HB2 ARG 15 11.382 -0.174 7.470 129 HB3 ARG 15 HB3 ARG 15 10.496 1.348 7.396 130 HG2 ARG 15 HG2 ARG 15 8.336 0.007 7.296 131 HG3 ARG 15 HG3 ARG 15 9.318 -1.438 7.625 132 HD2 ARG 15 HD2 ARG 15 8.370 -0.579 9.714 133 HD3 ARG 15 HD3 ARG 15 10.133 -0.355 9.721 134 HE ARG 15 HE ARG 15 8.801 1.997 8.687 135 HH11 ARG 15 HH11 ARG 15 9.205 0.437 11.792 136 HH12 ARG 15 HH12 ARG 15 9.240 1.956 12.646 137 HH21 ARG 15 HH21 ARG 15 9.150 3.878 9.782 138 HH22 ARG 15 HH22 ARG 15 9.114 3.865 11.529 139 H THR 16 H THR 16 12.968 0.483 5.760 140 HA THR 16 HA THR 16 13.282 3.225 5.393 141 HB THR 16 HB THR 16 15.369 1.196 4.529 142 HG1 THR 16 HG1 THR 16 14.782 2.101 7.155 143 HG21 THR 16 HG21 THR 16 16.046 3.520 4.189 144 HG22 THR 16 HG22 THR 16 15.538 3.951 5.834 145 HG23 THR 16 HG23 THR 16 16.921 2.858 5.577 146 H ASP 17 H ASP 17 13.190 0.746 2.844 147 HA ASP 17 HA ASP 17 13.912 2.505 0.659 148 HB2 ASP 17 HB2 ASP 17 12.427 -0.144 0.756 149 HB3 ASP 17 HB3 ASP 17 12.971 0.646 -0.720 150 H ALA 18 H ALA 18 10.758 1.459 2.041 151 HA ALA 18 HA ALA 18 9.118 2.934 0.182 152 HB1 ALA 18 HB1 ALA 18 8.286 1.034 1.524 153 HB2 ALA 18 HB2 ALA 18 8.575 1.939 3.020 154 HB3 ALA 18 HB3 ALA 18 7.348 2.503 1.875 155 H GLU 19 H GLU 19 10.412 3.711 3.424 156 HA GLU 19 HA GLU 19 9.195 6.270 3.725 157 HB2 GLU 19 HB2 GLU 19 11.695 5.064 4.944 158 HB3 GLU 19 HB3 GLU 19 11.009 6.612 5.449 159 HG2 GLU 19 HG2 GLU 19 8.932 5.561 6.130 160 HG3 GLU 19 HG3 GLU 19 9.447 3.996 5.546 161 H ASN 20 H ASN 20 12.509 5.440 2.529 162 HA ASN 20 HA ASN 20 13.219 8.167 1.978 163 HB2 ASN 20 HB2 ASN 20 14.278 5.499 0.947 164 HB3 ASN 20 HB3 ASN 20 14.998 7.047 0.532 165 HD21 ASN 20 HD22 ASN 20 16.711 5.394 1.640 166 HD22 ASN 20 HD21 ASN 20 17.025 5.857 3.306 167 H SER 21 H SER 21 11.108 6.059 0.225 168 HA SER 21 HA SER 21 11.255 7.657 -2.270 169 HB2 SER 21 HB2 SER 21 9.365 5.398 -1.506 170 HB3 SER 21 HB3 SER 21 9.506 6.186 -3.085 171 HG SER 21 HG SER 21 11.397 4.545 -1.741 172 H LEU 22 H LEU 22 8.756 6.928 0.245 173 HA LEU 22 HA LEU 22 6.908 8.856 -0.823 174 HB2 LEU 22 HB2 LEU 22 7.048 7.020 1.521 175 HB3 LEU 22 HB3 LEU 22 5.979 8.392 1.670 176 HG LEU 22 HG LEU 22 4.652 7.752 -0.187 177 HD11 LEU 22 HD11 LEU 22 6.219 6.808 -1.791 178 HD12 LEU 22 HD12 LEU 22 6.612 5.477 -0.673 179 HD13 LEU 22 HD13 LEU 22 4.990 5.593 -1.396 180 HD21 LEU 22 HD21 LEU 22 5.306 5.253 1.431 181 HD22 LEU 22 HD22 LEU 22 4.457 6.662 2.084 182 HD23 LEU 22 HD23 LEU 22 3.735 5.739 0.743 183 H LEU 23 H LEU 23 9.476 9.239 1.595 184 HA LEU 23 HA LEU 23 8.572 11.743 2.660 185 HB2 LEU 23 HB2 LEU 23 10.295 10.272 3.660 186 HB3 LEU 23 HB3 LEU 23 11.368 10.596 2.292 187 HG LEU 23 HG LEU 23 11.545 12.964 2.981 188 HD11 LEU 23 HD11 LEU 23 9.369 13.310 4.092 189 HD12 LEU 23 HD12 LEU 23 9.798 12.119 5.343 190 HD13 LEU 23 HD13 LEU 23 10.684 13.656 5.217 191 HD21 LEU 23 HD21 LEU 23 12.079 10.999 5.241 192 HD22 LEU 23 HD22 LEU 23 13.135 11.295 3.844 193 HD23 LEU 23 HD23 LEU 23 12.849 12.586 5.021 194 H ARG 24 H ARG 24 10.119 10.939 -0.377 195 HA ARG 24 HA ARG 24 10.725 13.753 -1.079 196 HB2 ARG 24 HB2 ARG 24 10.959 11.165 -2.673 197 HB3 ARG 24 HB3 ARG 24 11.538 12.747 -3.202 198 HG2 ARG 24 HG2 ARG 24 13.148 12.825 -1.338 199 HG3 ARG 24 HG3 ARG 24 12.547 11.273 -0.726 200 HD2 ARG 24 HD2 ARG 24 13.162 10.211 -2.906 201 HD3 ARG 24 HD3 ARG 24 13.904 11.728 -3.417 202 HE ARG 24 HE ARG 24 14.836 9.825 -1.343 203 HH11 ARG 24 HH11 ARG 24 15.450 12.952 -2.814 204 HH12 ARG 24 HH12 ARG 24 17.075 13.027 -2.193 205 HH21 ARG 24 HH21 ARG 24 16.930 9.982 -0.606 206 HH22 ARG 24 HH22 ARG 24 17.882 11.391 -0.973 207 H MET 25 H MET 25 8.137 11.518 -1.458 208 HA MET 25 HA MET 25 6.837 12.917 -3.697 209 HB2 MET 25 HB2 MET 25 6.100 10.500 -2.001 210 HB3 MET 25 HB3 MET 25 5.068 11.124 -3.265 211 HG2 MET 25 HG2 MET 25 7.908 10.224 -3.683 212 HG3 MET 25 HG3 MET 25 6.513 9.219 -3.998 213 HE1 MET 25 HE1 MET 25 5.141 9.239 -6.214 214 HE2 MET 25 HE2 MET 25 4.411 10.719 -5.547 215 HE3 MET 25 HE3 MET 25 4.974 10.682 -7.233 216 HA PRO 26 HA PRO 26 4.062 15.339 -1.139 217 HB2 PRO 26 HB2 PRO 26 1.769 15.449 -2.604 218 HB3 PRO 26 HB3 PRO 26 3.283 16.258 -3.121 219 HG2 PRO 26 HG2 PRO 26 2.212 13.577 -3.996 220 HG3 PRO 26 HG3 PRO 26 2.820 14.909 -5.034 221 HD2 PRO 26 HD2 PRO 26 4.359 12.782 -4.320 222 HD3 PRO 26 HD3 PRO 26 5.081 14.391 -4.503 223 H GLU 27 H GLU 27 2.083 15.200 0.130 224 HA GLU 27 HA GLU 27 1.463 12.705 1.357 225 HB2 GLU 27 HB2 GLU 27 1.106 14.834 2.452 226 HB3 GLU 27 HB3 GLU 27 -0.047 15.341 1.211 227 HG2 GLU 27 HG2 GLU 27 -1.671 13.689 1.940 228 HG3 GLU 27 HG3 GLU 27 -0.491 12.933 3.010 229 H GLY 28 H GLY 28 -0.093 11.212 1.147 230 HA2 GLY 28 HA2 GLY 28 -1.983 10.143 0.243 231 HA3 GLY 28 HA3 GLY 28 -2.127 11.413 -0.974 232 H THR 29 H THR 29 1.080 10.418 -0.958 233 HA THR 29 HA THR 29 0.768 8.626 -3.279 234 HB THR 29 HB THR 29 3.387 9.398 -1.910 235 HG1 THR 29 HG1 THR 29 2.570 11.259 -2.702 236 HG21 THR 29 HG21 THR 29 3.503 7.381 -3.333 237 HG22 THR 29 HG22 THR 29 2.727 8.261 -4.667 238 HG23 THR 29 HG23 THR 29 4.327 8.743 -4.077 239 H PHE 30 H PHE 30 0.773 6.394 -3.119 240 HA PHE 30 HA PHE 30 1.687 5.191 -0.552 241 HB2 PHE 30 HB2 PHE 30 -0.326 3.949 -0.332 242 HB3 PHE 30 HB3 PHE 30 -0.743 5.644 -0.488 243 HD1 PHE 30 HD1 PHE 30 -1.865 6.478 -2.553 244 HD2 PHE 30 HD2 PHE 30 -0.858 2.327 -2.078 245 HE1 PHE 30 HE1 PHE 30 -3.291 5.911 -4.504 246 HE2 PHE 30 HE2 PHE 30 -2.330 1.746 -3.995 247 HZ PHE 30 HZ PHE 30 -3.502 3.537 -5.247 248 H LEU 31 H LEU 31 1.845 2.893 -0.541 249 HA LEU 31 HA LEU 31 2.115 1.474 -3.090 250 HB2 LEU 31 HB2 LEU 31 4.447 0.905 -2.816 251 HB3 LEU 31 HB3 LEU 31 4.244 2.629 -2.893 252 HG LEU 31 HG LEU 31 4.424 2.588 -0.290 253 HD11 LEU 31 HD11 LEU 31 4.324 0.151 0.157 254 HD12 LEU 31 HD12 LEU 31 5.655 -0.130 -0.984 255 HD13 LEU 31 HD13 LEU 31 5.923 0.762 0.531 256 HD21 LEU 31 HD21 LEU 31 6.805 1.834 -2.030 257 HD22 LEU 31 HD22 LEU 31 6.115 3.458 -1.839 258 HD23 LEU 31 HD23 LEU 31 6.864 2.667 -0.457 259 H VAL 32 H VAL 32 2.389 -0.830 -2.808 260 HA VAL 32 HA VAL 32 1.872 -1.833 -0.051 261 HB VAL 32 HB VAL 32 0.626 -2.993 -2.550 262 HG11 VAL 32 HG11 VAL 32 1.078 -4.766 -0.922 263 HG12 VAL 32 HG12 VAL 32 0.371 -3.785 0.385 264 HG13 VAL 32 HG13 VAL 32 -0.645 -4.405 -0.927 265 HG21 VAL 32 HG21 VAL 32 -0.611 -1.489 -0.194 266 HG22 VAL 32 HG22 VAL 32 -0.502 -0.896 -1.866 267 HG23 VAL 32 HG23 VAL 32 -1.521 -2.288 -1.496 268 H ARG 33 H ARG 33 3.032 -3.514 0.611 269 HA ARG 33 HA ARG 33 4.976 -4.833 -1.227 270 HB2 ARG 33 HB2 ARG 33 6.834 -4.247 0.265 271 HB3 ARG 33 HB3 ARG 33 6.040 -2.810 -0.377 272 HG2 ARG 33 HG2 ARG 33 4.737 -2.727 1.867 273 HG3 ARG 33 HG3 ARG 33 5.883 -3.947 2.437 274 HD2 ARG 33 HD2 ARG 33 7.745 -2.302 1.814 275 HD3 ARG 33 HD3 ARG 33 6.500 -1.147 1.401 276 HE ARG 33 HE ARG 33 6.098 -0.732 3.638 277 HH11 ARG 33 HH11 ARG 33 8.160 -3.581 3.432 278 HH12 ARG 33 HH12 ARG 33 8.265 -3.734 5.166 279 HH21 ARG 33 HH21 ARG 33 6.343 -0.959 5.843 280 HH22 ARG 33 HH22 ARG 33 7.258 -2.289 6.489 281 H ASP 34 H ASP 34 6.091 -6.646 -0.271 282 HA ASP 34 HA ASP 34 4.363 -8.498 1.112 283 HB2 ASP 34 HB2 ASP 34 6.091 -9.176 -0.499 284 HB3 ASP 34 HB3 ASP 34 7.344 -8.532 0.564 285 H SER 35 H SER 35 4.303 -9.172 3.248 286 HA SER 35 HA SER 35 4.963 -7.116 5.135 287 HB2 SER 35 HB2 SER 35 2.904 -8.407 5.270 288 HB3 SER 35 HB3 SER 35 3.835 -9.889 5.588 289 HG SER 35 HG SER 35 3.378 -9.238 7.542 290 H THR 36 H THR 36 6.173 -7.071 6.940 291 HA THR 36 HA THR 36 8.724 -8.441 7.051 292 HB THR 36 HB THR 36 8.902 -7.175 9.235 293 HG1 THR 36 HG1 THR 36 7.276 -5.680 9.648 294 HG21 THR 36 HG21 THR 36 9.636 -6.157 7.081 295 HG22 THR 36 HG22 THR 36 8.005 -5.476 6.865 296 HG23 THR 36 HG23 THR 36 9.020 -4.957 8.230 297 H SER 37 H SER 37 5.616 -9.375 8.121 298 HA SER 37 HA SER 37 6.712 -11.634 9.652 299 HB2 SER 37 HB2 SER 37 5.162 -11.283 11.543 300 HB3 SER 37 HB3 SER 37 6.400 -10.028 11.431 301 HG SER 37 HG SER 37 4.196 -9.300 11.841 302 H SER 38 H SER 38 5.210 -13.361 9.939 303 HA SER 38 HA SER 38 3.785 -14.907 9.068 304 HB2 SER 38 HB2 SER 38 1.908 -12.552 9.290 305 HB3 SER 38 HB3 SER 38 1.403 -14.239 9.046 306 HG SER 38 HG SER 38 1.431 -13.635 11.274 307 HA PRO 39 HA PRO 39 4.602 -13.797 4.653 308 HB2 PRO 39 HB2 PRO 39 4.775 -16.820 4.689 309 HB3 PRO 39 HB3 PRO 39 5.725 -15.649 3.717 310 HG2 PRO 39 HG2 PRO 39 6.799 -16.686 5.965 311 HG3 PRO 39 HG3 PRO 39 6.942 -14.923 5.658 312 HD2 PRO 39 HD2 PRO 39 4.986 -16.367 7.464 313 HD3 PRO 39 HD3 PRO 39 5.927 -14.876 7.775 314 H GLY 40 H GLY 40 3.197 -13.651 3.018 315 HA2 GLY 40 HA2 GLY 40 1.258 -14.265 1.698 316 HA3 GLY 40 HA3 GLY 40 0.575 -15.097 3.097 317 H ASP 41 H ASP 41 1.569 -12.624 4.773 318 HA ASP 41 HA ASP 41 -0.721 -10.811 4.273 319 HB2 ASP 41 HB2 ASP 41 1.457 -10.797 6.392 320 HB3 ASP 41 HB3 ASP 41 0.162 -9.617 6.274 321 H TYR 42 H TYR 42 -0.349 -8.478 4.176 322 HA TYR 42 HA TYR 42 2.162 -7.651 2.774 323 HB2 TYR 42 HB2 TYR 42 -0.666 -6.927 1.924 324 HB3 TYR 42 HB3 TYR 42 0.821 -6.362 1.184 325 HD1 TYR 42 HD1 TYR 42 2.359 -8.018 0.070 326 HD2 TYR 42 HD2 TYR 42 -1.614 -9.056 1.368 327 HE1 TYR 42 HE1 TYR 42 2.394 -10.035 -1.421 328 HE2 TYR 42 HE2 TYR 42 -1.578 -11.073 -0.088 329 HH TYR 42 HH TYR 42 -0.377 -12.303 -1.606 330 H VAL 43 H VAL 43 2.229 -5.189 2.573 331 HA VAL 43 HA VAL 43 1.028 -3.800 4.928 332 HB VAL 43 HB VAL 43 3.947 -3.623 4.093 333 HG11 VAL 43 HG11 VAL 43 3.166 -1.434 4.901 334 HG12 VAL 43 HG12 VAL 43 2.411 -2.203 6.317 335 HG13 VAL 43 HG13 VAL 43 4.172 -2.199 6.135 336 HG21 VAL 43 HG21 VAL 43 2.681 -4.694 6.647 337 HG22 VAL 43 HG22 VAL 43 3.414 -5.681 5.372 338 HG23 VAL 43 HG23 VAL 43 4.427 -4.573 6.307 339 H LEU 44 H LEU 44 0.110 -1.945 4.429 340 HA LEU 44 HA LEU 44 0.528 -0.621 1.792 341 HB2 LEU 44 HB2 LEU 44 -1.797 -1.012 2.473 342 HB3 LEU 44 HB3 LEU 44 -1.507 -0.278 4.030 343 HG LEU 44 HG LEU 44 -1.232 1.919 3.018 344 HD11 LEU 44 HD11 LEU 44 -0.278 1.513 0.868 345 HD12 LEU 44 HD12 LEU 44 -1.677 0.539 0.358 346 HD13 LEU 44 HD13 LEU 44 -1.835 2.290 0.620 347 HD21 LEU 44 HD21 LEU 44 -3.709 0.494 1.945 348 HD22 LEU 44 HD22 LEU 44 -3.512 1.095 3.606 349 HD23 LEU 44 HD23 LEU 44 -3.550 2.235 2.249 350 H SER 45 H SER 45 1.941 1.045 1.715 351 HA SER 45 HA SER 45 2.597 2.503 4.241 352 HB2 SER 45 HB2 SER 45 4.481 2.127 1.910 353 HB3 SER 45 HB3 SER 45 4.829 2.898 3.461 354 HG SER 45 HG SER 45 4.046 0.179 3.096 355 H CYS 46 H CYS 46 2.373 4.705 4.213 356 HA CYS 46 HA CYS 46 1.544 6.020 1.648 357 HB2 CYS 46 HB2 CYS 46 0.069 6.066 4.316 358 HB3 CYS 46 HB3 CYS 46 -0.338 7.055 2.908 359 HG CYS 46 HG CYS 46 -2.075 5.102 3.168 360 H SER 47 H SER 47 2.034 8.237 1.429 361 HA SER 47 HA SER 47 3.665 9.499 3.509 362 HB2 SER 47 HB2 SER 47 3.646 11.391 1.912 363 HB3 SER 47 HB3 SER 47 4.361 9.907 1.270 364 HG SER 47 HG SER 47 2.830 11.112 -0.110 365 H GLU 48 H GLU 48 2.744 10.348 5.164 366 HA GLU 48 HA GLU 48 0.132 11.819 4.992 367 HB2 GLU 48 HB2 GLU 48 0.762 9.459 6.807 368 HB3 GLU 48 HB3 GLU 48 -0.437 10.653 7.201 369 HG2 GLU 48 HG2 GLU 48 -1.610 10.165 5.017 370 HG3 GLU 48 HG3 GLU 48 -0.480 8.829 4.768 371 H ASN 49 H ASN 49 0.068 13.658 6.163 372 HA ASN 49 HA ASN 49 0.599 15.315 7.543 373 HB2 ASN 49 HB2 ASN 49 -0.417 13.556 9.037 374 HB3 ASN 49 HB3 ASN 49 1.210 13.137 9.565 375 HD21 ASN 49 HD22 ASN 49 0.183 13.700 11.702 376 HD22 ASN 49 HD21 ASN 49 0.208 15.392 12.180 377 H GLY 50 H GLY 50 2.698 14.770 5.825 378 HA2 GLY 50 HA2 GLY 50 4.840 15.543 5.437 379 HA3 GLY 50 HA3 GLY 50 4.879 16.162 7.088 380 H LYS 51 H LYS 51 4.169 12.852 7.101 381 HA LYS 51 HA LYS 51 6.990 11.900 7.220 382 HB2 LYS 51 HB2 LYS 51 6.503 10.644 9.261 383 HB3 LYS 51 HB3 LYS 51 6.290 12.369 9.518 384 HG2 LYS 51 HG2 LYS 51 3.854 12.145 9.390 385 HG3 LYS 51 HG3 LYS 51 4.000 10.414 9.009 386 HD2 LYS 51 HD2 LYS 51 5.016 10.021 11.231 387 HD3 LYS 51 HD3 LYS 51 4.902 11.761 11.592 388 HE2 LYS 51 HE2 LYS 51 2.425 11.640 11.265 389 HE3 LYS 51 HE3 LYS 51 2.556 9.902 10.973 390 HZ1 LYS 51 HZ1 LYS 51 3.429 9.663 13.244 391 HZ2 LYS 51 HZ2 LYS 51 3.299 11.269 13.510 392 HZ3 LYS 51 HZ3 LYS 51 1.955 10.368 13.278 393 H VAL 52 H VAL 52 6.547 9.280 7.747 394 HA VAL 52 HA VAL 52 4.732 8.308 5.579 395 HB VAL 52 HB VAL 52 7.516 7.265 6.155 396 HG11 VAL 52 HG11 VAL 52 6.072 5.420 5.467 397 HG12 VAL 52 HG12 VAL 52 5.381 6.395 4.156 398 HG13 VAL 52 HG13 VAL 52 7.068 5.865 4.087 399 HG21 VAL 52 HG21 VAL 52 6.374 8.888 3.850 400 HG22 VAL 52 HG22 VAL 52 7.696 9.343 4.938 401 HG23 VAL 52 HG23 VAL 52 7.939 8.045 3.778 402 H THR 53 H THR 53 3.475 6.658 6.030 403 HA THR 53 HA THR 53 3.567 5.401 8.743 404 HB THR 53 HB THR 53 1.077 5.295 8.500 405 HG1 THR 53 HG1 THR 53 0.202 6.781 6.924 406 HG21 THR 53 HG21 THR 53 2.159 7.093 9.814 407 HG22 THR 53 HG22 THR 53 2.240 8.114 8.361 408 HG23 THR 53 HG23 THR 53 0.664 7.648 9.032 409 H HIS 54 H HIS 54 2.550 3.284 8.907 410 HA HIS 54 HA HIS 54 2.520 1.638 6.435 411 HB2 HIS 54 HB2 HIS 54 4.066 0.868 8.931 412 HB3 HIS 54 HB3 HIS 54 3.945 -0.039 7.431 413 HD1 HIS 54 HD1 HIS 54 5.209 1.350 5.221 414 HD2 HIS 54 HD2 HIS 54 6.074 2.487 9.181 415 HE1 HIS 54 HE1 HIS 54 7.468 2.533 5.155 416 H TYR 55 H TYR 55 0.971 0.103 6.448 417 HA TYR 55 HA TYR 55 -0.491 -0.575 8.973 418 HB2 TYR 55 HB2 TYR 55 -1.721 0.098 6.274 419 HB3 TYR 55 HB3 TYR 55 -2.576 -0.276 7.767 420 HD1 TYR 55 HD1 TYR 55 -2.273 1.307 9.783 421 HD2 TYR 55 HD2 TYR 55 -1.074 2.336 5.764 422 HE1 TYR 55 HE1 TYR 55 -2.207 3.720 10.413 423 HE2 TYR 55 HE2 TYR 55 -1.037 4.738 6.387 424 HH TYR 55 HH TYR 55 -1.483 6.301 8.051 425 H LYS 56 H LYS 56 -0.853 -2.705 9.260 426 HA LYS 56 HA LYS 56 0.074 -4.668 7.320 427 HB2 LYS 56 HB2 LYS 56 -1.349 -4.899 9.997 428 HB3 LYS 56 HB3 LYS 56 -0.845 -6.301 9.062 429 HG2 LYS 56 HG2 LYS 56 1.185 -4.161 9.796 430 HG3 LYS 56 HG3 LYS 56 0.692 -5.372 10.977 431 HD2 LYS 56 HD2 LYS 56 1.477 -7.193 9.630 432 HD3 LYS 56 HD3 LYS 56 1.764 -6.139 8.234 433 HE2 LYS 56 HE2 LYS 56 3.517 -4.932 9.419 434 HE3 LYS 56 HE3 LYS 56 3.175 -5.799 10.924 435 HZ1 LYS 56 HZ1 LYS 56 4.031 -7.801 9.992 436 HZ2 LYS 56 HZ2 LYS 56 4.030 -7.221 8.469 437 HZ3 LYS 56 HZ3 LYS 56 5.121 -6.662 9.559 438 H LEU 57 H LEU 57 -0.955 -5.699 5.828 439 HA LEU 57 HA LEU 57 -3.949 -5.764 5.655 440 HB2 LEU 57 HB2 LEU 57 -1.749 -6.091 3.592 441 HB3 LEU 57 HB3 LEU 57 -3.432 -6.452 3.254 442 HG LEU 57 HG LEU 57 -2.804 -3.714 4.315 443 HD11 LEU 57 HD11 LEU 57 -1.046 -3.907 2.697 444 HD12 LEU 57 HD12 LEU 57 -2.085 -4.740 1.541 445 HD13 LEU 57 HD13 LEU 57 -2.355 -3.026 1.880 446 HD21 LEU 57 HD21 LEU 57 -4.622 -4.651 2.064 447 HD22 LEU 57 HD22 LEU 57 -5.138 -4.475 3.750 448 HD23 LEU 57 HD23 LEU 57 -4.607 -3.052 2.834 449 H SER 58 H SER 58 -4.360 -7.478 6.940 450 HA SER 58 HA SER 58 -2.696 -9.911 6.937 451 HB2 SER 58 HB2 SER 58 -5.154 -9.155 8.548 452 HB3 SER 58 HB3 SER 58 -4.180 -10.616 8.782 453 HG SER 58 HG SER 58 -3.556 -8.923 10.209 454 H ALA 59 H ALA 59 -3.197 -11.826 5.966 455 HA ALA 59 HA ALA 59 -5.605 -12.034 4.310 456 HB1 ALA 59 HB1 ALA 59 -3.472 -12.928 3.518 457 HB2 ALA 59 HB2 ALA 59 -3.394 -14.032 4.912 458 HB3 ALA 59 HB3 ALA 59 -4.674 -14.223 3.693 459 H GLU 60 H GLU 60 -7.511 -12.763 4.957 460 HA GLU 60 HA GLU 60 -7.798 -14.575 7.326 461 HB2 GLU 60 HB2 GLU 60 -8.114 -12.173 7.954 462 HB3 GLU 60 HB3 GLU 60 -9.419 -12.049 6.769 463 HG2 GLU 60 HG2 GLU 60 -10.620 -13.904 8.001 464 HG3 GLU 60 HG3 GLU 60 -9.339 -13.872 9.215 465 H GLU 61 H GLU 61 -8.688 -16.410 6.495 466 HA GLU 61 HA GLU 61 -9.693 -17.832 5.089 467 HB2 GLU 61 HB2 GLU 61 -11.390 -16.750 6.717 468 HB3 GLU 61 HB3 GLU 61 -12.089 -16.009 5.284 469 HG2 GLU 61 HG2 GLU 61 -13.263 -18.020 5.923 470 HG3 GLU 61 HG3 GLU 61 -12.526 -18.272 4.343 471 H GLY 62 H GLY 62 -8.206 -15.986 3.650 472 HA2 GLY 62 HA2 GLY 62 -7.647 -15.818 1.370 473 HA3 GLY 62 HA3 GLY 62 -9.267 -16.343 0.918 474 H LYS 63 H LYS 63 -9.763 -13.922 3.106 475 HA LYS 63 HA LYS 63 -9.915 -11.709 1.093 476 HB2 LYS 63 HB2 LYS 63 -11.480 -12.267 3.648 477 HB3 LYS 63 HB3 LYS 63 -11.601 -10.776 2.734 478 HG2 LYS 63 HG2 LYS 63 -12.296 -12.078 0.706 479 HG3 LYS 63 HG3 LYS 63 -12.270 -13.554 1.683 480 HD2 LYS 63 HD2 LYS 63 -13.948 -12.556 3.221 481 HD3 LYS 63 HD3 LYS 63 -14.053 -11.122 2.193 482 HE2 LYS 63 HE2 LYS 63 -14.551 -13.950 1.152 483 HE3 LYS 63 HE3 LYS 63 -15.823 -13.003 1.920 484 HZ1 LYS 63 HZ1 LYS 63 -15.562 -11.313 0.207 485 HZ2 LYS 63 HZ2 LYS 63 -14.380 -12.152 -0.557 486 HZ3 LYS 63 HZ3 LYS 63 -15.887 -12.751 -0.477 487 H ILE 64 H ILE 64 -9.806 -9.486 2.326 488 HA ILE 64 HA ILE 64 -7.151 -9.433 3.724 489 HB ILE 64 HB ILE 64 -8.470 -7.522 1.773 490 HG12 ILE 64 HG12 ILE 64 -7.354 -9.412 0.690 491 HG13 ILE 64 HG13 ILE 64 -6.549 -7.899 0.359 492 HG21 ILE 64 HG21 ILE 64 -7.435 -6.095 3.416 493 HG22 ILE 64 HG22 ILE 64 -5.942 -7.058 3.405 494 HG23 ILE 64 HG23 ILE 64 -6.434 -6.112 1.978 495 HD11 ILE 64 HD11 ILE 64 -4.761 -8.460 1.999 496 HD12 ILE 64 HD12 ILE 64 -5.564 -10.017 2.319 497 HD13 ILE 64 HD13 ILE 64 -4.911 -9.663 0.713 498 H ARG 65 H ARG 65 -7.173 -8.859 5.754 499 HA ARG 65 HA ARG 65 -9.248 -6.983 6.824 500 HB2 ARG 65 HB2 ARG 65 -9.105 -9.221 7.909 501 HB3 ARG 65 HB3 ARG 65 -7.407 -8.943 8.241 502 HG2 ARG 65 HG2 ARG 65 -8.472 -8.510 10.280 503 HG3 ARG 65 HG3 ARG 65 -8.102 -6.920 9.643 504 HD2 ARG 65 HD2 ARG 65 -10.288 -6.779 10.536 505 HD3 ARG 65 HD3 ARG 65 -10.520 -6.830 8.781 506 HE ARG 65 HE ARG 65 -10.624 -9.503 9.701 507 HH11 ARG 65 HH11 ARG 65 -12.601 -6.627 10.365 508 HH12 ARG 65 HH12 ARG 65 -14.003 -7.613 10.654 509 HH21 ARG 65 HH21 ARG 65 -12.473 -10.612 9.942 510 HH22 ARG 65 HH22 ARG 65 -13.935 -9.797 10.456 511 H ILE 66 H ILE 66 -8.628 -4.968 7.350 512 HA ILE 66 HA ILE 66 -5.824 -4.428 8.137 513 HB ILE 66 HB ILE 66 -5.677 -3.915 5.869 514 HG12 ILE 66 HG12 ILE 66 -6.085 -1.251 7.268 515 HG13 ILE 66 HG13 ILE 66 -4.700 -2.299 7.549 516 HG21 ILE 66 HG21 ILE 66 -8.099 -3.705 5.301 517 HG22 ILE 66 HG22 ILE 66 -8.101 -2.088 6.041 518 HG23 ILE 66 HG23 ILE 66 -7.115 -2.435 4.600 519 HD11 ILE 66 HD11 ILE 66 -4.010 -2.081 5.203 520 HD12 ILE 66 HD12 ILE 66 -5.407 -1.037 4.861 521 HD13 ILE 66 HD13 ILE 66 -4.158 -0.494 5.976 522 H ASP 67 H ASP 67 -5.673 -3.278 9.872 523 HA ASP 67 HA ASP 67 -6.254 -2.460 11.865 524 HB2 ASP 67 HB2 ASP 67 -6.403 -0.352 10.637 525 HB3 ASP 67 HB3 ASP 67 -8.120 -0.618 10.349 526 H THR 68 H THR 68 -9.604 -1.951 10.855 527 HA THR 68 HA THR 68 -10.444 -4.519 12.148 528 HB THR 68 HB THR 68 -12.518 -3.420 12.887 529 HG1 THR 68 HG1 THR 68 -12.581 -1.154 12.890 530 HG21 THR 68 HG21 THR 68 -10.598 -3.615 14.465 531 HG22 THR 68 HG22 THR 68 -10.063 -1.986 13.990 532 HG23 THR 68 HG23 THR 68 -11.631 -2.214 14.798 533 H HIS 69 H HIS 69 -10.439 -2.697 9.268 534 HA HIS 69 HA HIS 69 -13.114 -3.374 8.327 535 HB2 HIS 69 HB2 HIS 69 -10.731 -2.090 6.933 536 HB3 HIS 69 HB3 HIS 69 -12.363 -2.224 6.285 537 HD1 HIS 69 HD1 HIS 69 -14.105 -0.375 7.068 538 HD2 HIS 69 HD2 HIS 69 -10.340 -0.274 8.946 539 HE1 HIS 69 HE1 HIS 69 -14.000 1.832 8.341 540 H LEU 70 H LEU 70 -13.622 -4.998 7.038 541 HA LEU 70 HA LEU 70 -11.500 -6.772 5.923 542 HB2 LEU 70 HB2 LEU 70 -13.164 -7.783 7.561 543 HB3 LEU 70 HB3 LEU 70 -14.410 -7.480 6.357 544 HG LEU 70 HG LEU 70 -12.986 -8.909 4.734 545 HD11 LEU 70 HD11 LEU 70 -10.874 -8.854 6.140 546 HD12 LEU 70 HD12 LEU 70 -11.704 -9.849 7.339 547 HD13 LEU 70 HD13 LEU 70 -11.407 -10.482 5.707 548 HD21 LEU 70 HD21 LEU 70 -14.124 -10.229 7.229 549 HD22 LEU 70 HD22 LEU 70 -15.041 -9.747 5.784 550 HD23 LEU 70 HD23 LEU 70 -13.821 -11.025 5.669 551 H PHE 71 H PHE 71 -11.284 -7.006 3.826 552 HA PHE 71 HA PHE 71 -13.334 -6.036 1.884 553 HB2 PHE 71 HB2 PHE 71 -10.315 -5.656 1.719 554 HB3 PHE 71 HB3 PHE 71 -11.495 -5.193 0.504 555 HD1 PHE 71 HD1 PHE 71 -13.300 -3.441 1.185 556 HD2 PHE 71 HD2 PHE 71 -9.721 -4.176 3.478 557 HE1 PHE 71 HE1 PHE 71 -13.607 -1.281 2.363 558 HE2 PHE 71 HE2 PHE 71 -9.999 -1.977 4.607 559 HZ PHE 71 HZ PHE 71 -11.957 -0.551 4.083 560 H ASP 72 H ASP 72 -13.254 -7.134 -0.188 561 HA ASP 72 HA ASP 72 -12.680 -9.910 0.048 562 HB2 ASP 72 HB2 ASP 72 -14.433 -9.021 -1.408 563 HB3 ASP 72 HB3 ASP 72 -13.229 -8.191 -2.400 564 H ASN 73 H ASN 73 -10.757 -7.281 -1.283 565 HA ASN 73 HA ASN 73 -8.365 -8.943 -1.583 566 HB2 ASN 73 HB2 ASN 73 -8.149 -8.412 -4.021 567 HB3 ASN 73 HB3 ASN 73 -9.516 -9.459 -3.669 568 HD21 ASN 73 HD22 ASN 73 -11.598 -8.783 -4.324 569 HD22 ASN 73 HD21 ASN 73 -11.857 -7.191 -5.034 570 H LEU 74 H LEU 74 -6.551 -7.559 -2.575 571 HA LEU 74 HA LEU 74 -6.107 -5.308 -0.904 572 HB2 LEU 74 HB2 LEU 74 -4.736 -6.239 -3.455 573 HB3 LEU 74 HB3 LEU 74 -4.156 -4.911 -2.453 574 HG LEU 74 HG LEU 74 -4.375 -7.818 -1.586 575 HD11 LEU 74 HD11 LEU 74 -2.540 -7.326 -3.169 576 HD12 LEU 74 HD12 LEU 74 -1.986 -6.010 -2.109 577 HD13 LEU 74 HD13 LEU 74 -1.918 -7.693 -1.548 578 HD21 LEU 74 HD21 LEU 74 -3.402 -5.334 -0.123 579 HD22 LEU 74 HD22 LEU 74 -4.717 -6.413 0.378 580 HD23 LEU 74 HD23 LEU 74 -3.054 -6.996 0.415 581 H ASP 75 H ASP 75 -7.130 -5.394 -4.353 582 HA ASP 75 HA ASP 75 -6.878 -2.573 -4.785 583 HB2 ASP 75 HB2 ASP 75 -6.950 -4.276 -6.573 584 HB3 ASP 75 HB3 ASP 75 -8.633 -4.622 -6.189 585 H ALA 76 H ALA 76 -9.625 -4.526 -3.582 586 HA ALA 76 HA ALA 76 -11.505 -2.364 -3.410 587 HB1 ALA 76 HB1 ALA 76 -12.184 -4.712 -3.338 588 HB2 ALA 76 HB2 ALA 76 -11.279 -4.957 -1.829 589 HB3 ALA 76 HB3 ALA 76 -12.695 -3.883 -1.851 590 H ALA 77 H ALA 77 -9.016 -3.521 -1.085 591 HA ALA 77 HA ALA 77 -9.775 -1.732 1.038 592 HB1 ALA 77 HB1 ALA 77 -8.398 -3.802 1.304 593 HB2 ALA 77 HB2 ALA 77 -7.061 -3.001 0.456 594 HB3 ALA 77 HB3 ALA 77 -7.633 -2.363 2.010 595 H ILE 78 H ILE 78 -7.330 -1.426 -1.588 596 HA ILE 78 HA ILE 78 -6.456 1.237 -0.977 597 HB ILE 78 HB ILE 78 -6.656 -0.281 -3.608 598 HG12 ILE 78 HG12 ILE 78 -5.118 -1.385 -2.108 599 HG13 ILE 78 HG13 ILE 78 -4.226 -0.610 -3.390 600 HG21 ILE 78 HG21 ILE 78 -6.563 2.083 -4.175 601 HG22 ILE 78 HG22 ILE 78 -5.177 2.319 -3.090 602 HG23 ILE 78 HG23 ILE 78 -5.018 1.314 -4.539 603 HD11 ILE 78 HD11 ILE 78 -3.619 1.236 -1.782 604 HD12 ILE 78 HD12 ILE 78 -4.471 0.339 -0.503 605 HD13 ILE 78 HD13 ILE 78 -3.061 -0.373 -1.299 606 H THR 79 H THR 79 -9.047 0.145 -3.155 607 HA THR 79 HA THR 79 -10.026 2.676 -3.947 608 HB THR 79 HB THR 79 -11.601 0.091 -3.636 609 HG1 THR 79 HG1 THR 79 -9.961 -0.211 -5.037 610 HG21 THR 79 HG21 THR 79 -13.175 1.940 -3.948 611 HG22 THR 79 HG22 THR 79 -12.187 2.601 -5.270 612 HG23 THR 79 HG23 THR 79 -13.023 1.041 -5.461 613 H PHE 80 H PHE 80 -10.977 0.772 -1.025 614 HA PHE 80 HA PHE 80 -12.970 2.604 -0.123 615 HB2 PHE 80 HB2 PHE 80 -12.680 0.357 0.779 616 HB3 PHE 80 HB3 PHE 80 -11.110 0.786 1.443 617 HD1 PHE 80 HD1 PHE 80 -14.778 1.291 1.765 618 HD2 PHE 80 HD2 PHE 80 -10.909 2.134 3.476 619 HE1 PHE 80 HE1 PHE 80 -15.870 2.102 3.844 620 HE2 PHE 80 HE2 PHE 80 -12.004 2.946 5.551 621 HZ PHE 80 HZ PHE 80 -14.486 2.935 5.736 622 H TYR 81 H TYR 81 -9.421 2.531 0.585 623 HA TYR 81 HA TYR 81 -9.626 5.012 2.078 624 HB2 TYR 81 HB2 TYR 81 -7.218 3.407 1.231 625 HB3 TYR 81 HB3 TYR 81 -7.164 4.848 2.253 626 HD1 TYR 81 HD2 TYR 81 -9.024 4.782 4.264 627 HD2 TYR 81 HD1 TYR 81 -7.066 1.391 2.447 628 HE1 TYR 81 HE2 TYR 81 -9.428 3.447 6.321 629 HE2 TYR 81 HE1 TYR 81 -7.492 0.053 4.506 630 HH TYR 81 HH TYR 81 -9.161 1.431 7.356 631 H MET 82 H MET 82 -9.571 4.542 -1.282 632 HA MET 82 HA MET 82 -8.435 7.181 -1.942 633 HB2 MET 82 HB2 MET 82 -10.255 5.276 -3.467 634 HB3 MET 82 HB3 MET 82 -9.725 6.818 -4.101 635 HG2 MET 82 HG2 MET 82 -7.718 4.729 -3.218 636 HG3 MET 82 HG3 MET 82 -8.479 4.702 -4.806 637 HE1 MET 82 HE1 MET 82 -5.559 4.568 -4.882 638 HE2 MET 82 HE2 MET 82 -6.530 4.875 -6.337 639 HE3 MET 82 HE3 MET 82 -5.090 5.862 -6.014 640 H GLU 83 H GLU 83 -11.627 5.835 -1.129 641 HA GLU 83 HA GLU 83 -13.034 8.389 -1.574 642 HB2 GLU 83 HB2 GLU 83 -13.938 5.651 -0.599 643 HB3 GLU 83 HB3 GLU 83 -15.014 7.025 -0.832 644 HG2 GLU 83 HG2 GLU 83 -13.350 5.734 -3.041 645 HG3 GLU 83 HG3 GLU 83 -15.041 5.396 -2.714 646 H HIS 84 H HIS 84 -11.799 6.555 1.178 647 HA HIS 84 HA HIS 84 -12.854 8.617 3.077 648 HB2 HIS 84 HB2 HIS 84 -12.435 5.641 3.548 649 HB3 HIS 84 HB3 HIS 84 -13.045 6.809 4.719 650 HD1 HIS 84 HD1 HIS 84 -15.548 7.943 3.987 651 HD2 HIS 84 HD2 HIS 84 -14.208 4.489 1.993 652 HE1 HIS 84 HE1 HIS 84 -17.587 6.958 2.819 653 H GLU 85 H GLU 85 -11.542 9.178 4.882 654 HA GLU 85 HA GLU 85 -8.689 9.190 4.365 655 HB2 GLU 85 HB2 GLU 85 -10.282 10.020 6.814 656 HB3 GLU 85 HB3 GLU 85 -8.543 10.274 6.603 657 HG2 GLU 85 HG2 GLU 85 -8.929 11.671 4.629 658 HG3 GLU 85 HG3 GLU 85 -10.668 11.389 4.718 659 H LEU 86 H LEU 86 -7.041 8.035 5.238 660 HA LEU 86 HA LEU 86 -7.676 5.389 6.265 661 HB2 LEU 86 HB2 LEU 86 -5.955 6.113 4.488 662 HB3 LEU 86 HB3 LEU 86 -4.930 6.619 5.817 663 HG LEU 86 HG LEU 86 -5.992 3.818 5.293 664 HD11 LEU 86 HD11 LEU 86 -4.275 4.558 3.703 665 HD12 LEU 86 HD12 LEU 86 -3.202 5.006 5.050 666 HD13 LEU 86 HD13 LEU 86 -3.628 3.304 4.772 667 HD21 LEU 86 HD21 LEU 86 -4.178 4.812 7.505 668 HD22 LEU 86 HD22 LEU 86 -5.715 3.926 7.662 669 HD23 LEU 86 HD23 LEU 86 -4.299 3.104 7.026 670 H GLU 87 H GLU 87 -5.437 7.906 7.403 671 HA GLU 87 HA GLU 87 -6.414 7.592 10.206 672 HB2 GLU 87 HB2 GLU 87 -4.454 6.042 9.876 673 HB3 GLU 87 HB3 GLU 87 -3.482 7.446 9.429 674 HG2 GLU 87 HG2 GLU 87 -2.979 6.924 11.695 675 HG3 GLU 87 HG3 GLU 87 -3.904 8.417 11.714 676 H TYR 88 H TYR 88 -4.040 9.335 8.137 677 HA TYR 88 HA TYR 88 -4.743 11.917 9.492 678 HB2 TYR 88 HB2 TYR 88 -2.347 11.134 7.838 679 HB3 TYR 88 HB3 TYR 88 -2.564 12.671 8.615 680 HD1 TYR 88 HD1 TYR 88 -2.304 12.915 11.080 681 HD2 TYR 88 HD2 TYR 88 -1.660 9.132 9.106 682 HE1 TYR 88 HE1 TYR 88 -1.080 12.063 13.087 683 HE2 TYR 88 HE2 TYR 88 -0.468 8.283 11.108 684 HH TYR 88 HH TYR 88 0.201 8.722 13.251 685 H SER 89 H SER 89 -4.426 10.258 6.338 686 HA SER 89 HA SER 89 -6.284 12.196 5.134 687 HB2 SER 89 HB2 SER 89 -3.884 13.077 4.840 688 HB3 SER 89 HB3 SER 89 -3.612 11.691 3.767 689 HG SER 89 HG SER 89 -4.332 13.662 2.699 690 H SER 90 H SER 90 -6.564 11.558 2.689 691 HA SER 90 HA SER 90 -7.110 8.636 2.498 692 HB2 SER 90 HB2 SER 90 -8.451 9.297 0.504 693 HB3 SER 90 HB3 SER 90 -9.017 9.999 2.027 694 HG SER 90 HG SER 90 -8.932 11.538 0.306 695 H LEU 91 H LEU 91 -6.724 7.620 0.380 696 HA LEU 91 HA LEU 91 -3.997 7.999 -0.605 697 HB2 LEU 91 HB2 LEU 91 -6.252 6.304 -1.742 698 HB3 LEU 91 HB3 LEU 91 -4.547 6.180 -2.129 699 HG LEU 91 HG LEU 91 -5.928 5.426 0.459 700 HD11 LEU 91 HD11 LEU 91 -6.066 3.834 -1.467 701 HD12 LEU 91 HD12 LEU 91 -4.296 3.775 -1.502 702 HD13 LEU 91 HD13 LEU 91 -5.182 3.168 -0.090 703 HD21 LEU 91 HD21 LEU 91 -2.958 5.416 -0.114 704 HD22 LEU 91 HD22 LEU 91 -3.793 6.369 1.131 705 HD23 LEU 91 HD23 LEU 91 -3.731 4.606 1.259 706 H LYS 92 H LYS 92 -3.350 8.854 -2.566 707 HA LYS 92 HA LYS 92 -5.432 10.025 -4.385 708 HB2 LYS 92 HB2 LYS 92 -2.809 11.357 -3.563 709 HB3 LYS 92 HB3 LYS 92 -3.914 11.915 -4.826 710 HG2 LYS 92 HG2 LYS 92 -5.775 11.976 -3.084 711 HG3 LYS 92 HG3 LYS 92 -4.533 11.746 -1.848 712 HD2 LYS 92 HD2 LYS 92 -4.661 14.050 -3.849 713 HD3 LYS 92 HD3 LYS 92 -5.190 14.118 -2.161 714 HE2 LYS 92 HE2 LYS 92 -2.893 13.583 -1.407 715 HE3 LYS 92 HE3 LYS 92 -2.342 13.525 -3.084 716 HZ1 LYS 92 HZ1 LYS 92 -2.938 15.879 -3.292 717 HZ2 LYS 92 HZ2 LYS 92 -3.450 15.931 -1.739 718 HZ3 LYS 92 HZ3 LYS 92 -1.873 15.664 -2.071 719 H GLN 93 H GLN 93 -2.088 8.726 -4.226 720 HA GLN 93 HA GLN 93 -2.430 7.792 -6.998 721 HB2 GLN 93 HB2 GLN 93 -0.431 8.916 -7.832 722 HB3 GLN 93 HB3 GLN 93 -1.635 10.081 -7.281 723 HG2 GLN 93 HG2 GLN 93 -0.346 10.291 -5.104 724 HG3 GLN 93 HG3 GLN 93 0.889 9.233 -5.791 725 HE21 GLN 93 HE22 GLN 93 1.937 11.409 -4.997 726 HE22 GLN 93 HE21 GLN 93 2.185 12.584 -6.299 727 HA PRO 94 HA PRO 94 0.324 4.583 -5.487 728 HB2 PRO 94 HB2 PRO 94 0.894 3.259 -7.776 729 HB3 PRO 94 HB3 PRO 94 -0.771 3.289 -7.108 730 HG2 PRO 94 HG2 PRO 94 0.343 5.058 -9.299 731 HG3 PRO 94 HG3 PRO 94 -1.160 4.077 -9.316 732 HD2 PRO 94 HD2 PRO 94 -1.156 6.728 -8.645 733 HD3 PRO 94 HD3 PRO 94 -2.263 5.560 -7.861 734 H LEU 95 H LEU 95 2.575 4.273 -5.273 735 HA LEU 95 HA LEU 95 4.420 6.147 -6.545 736 HB2 LEU 95 HB2 LEU 95 4.772 5.219 -4.228 737 HB3 LEU 95 HB3 LEU 95 4.954 3.621 -4.935 738 HG LEU 95 HG LEU 95 6.963 4.411 -6.206 739 HD11 LEU 95 HD11 LEU 95 6.506 6.835 -6.356 740 HD12 LEU 95 HD12 LEU 95 6.581 6.965 -4.586 741 HD13 LEU 95 HD13 LEU 95 8.033 6.553 -5.521 742 HD21 LEU 95 HD21 LEU 95 7.179 4.949 -3.236 743 HD22 LEU 95 HD22 LEU 95 7.171 3.338 -3.992 744 HD23 LEU 95 HD23 LEU 95 8.482 4.468 -4.348 745 H GLN 96 H GLN 96 5.914 5.688 -8.170 746 HA GLN 96 HA GLN 96 4.944 3.896 -10.206 747 HB2 GLN 96 HB2 GLN 96 7.320 5.773 -10.020 748 HB3 GLN 96 HB3 GLN 96 7.020 4.769 -11.435 749 HG2 GLN 96 HG2 GLN 96 6.146 7.081 -11.699 750 HG3 GLN 96 HG3 GLN 96 4.922 5.835 -11.903 751 HE21 GLN 96 HE22 GLN 96 2.996 6.199 -10.808 752 HE22 GLN 96 HE21 GLN 96 2.888 7.061 -9.283 753 H ARG 97 H ARG 97 5.595 1.953 -10.872 754 HA ARG 97 HA ARG 97 8.024 0.650 -9.768 755 HB2 ARG 97 HB2 ARG 97 6.833 -1.273 -9.014 756 HB3 ARG 97 HB3 ARG 97 6.101 0.146 -8.296 757 HG2 ARG 97 HG2 ARG 97 4.191 -0.951 -8.854 758 HG3 ARG 97 HG3 ARG 97 4.408 -0.063 -10.358 759 HD2 ARG 97 HD2 ARG 97 5.675 -2.180 -11.204 760 HD3 ARG 97 HD3 ARG 97 5.087 -2.968 -9.752 761 HE ARG 97 HE ARG 97 2.891 -2.948 -10.585 762 HH11 ARG 97 HH11 ARG 97 4.854 -0.970 -12.754 763 HH12 ARG 97 HH12 ARG 97 3.705 -1.151 -14.058 764 HH21 ARG 97 HH21 ARG 97 1.578 -3.251 -12.375 765 HH22 ARG 97 HH22 ARG 97 1.885 -2.327 -13.819 Start of MODEL 8 1 H1 GLY -6 H1 GLY -6 23.513 -18.268 -21.204 2 H2 GLY -6 H2 GLY -6 22.645 -18.675 -19.877 3 H3 GLY -6 H3 GLY -6 22.425 -19.491 -21.282 4 HA2 GLY -6 HA2 GLY -6 21.526 -17.549 -22.365 5 HA3 GLY -6 HA3 GLY -6 20.594 -17.973 -20.916 6 H SER -5 H SER -5 19.846 -15.834 -20.654 7 HA SER -5 HA SER -5 21.499 -13.513 -20.530 8 HB2 SER -5 HB2 SER -5 18.765 -13.985 -19.285 9 HB3 SER -5 HB3 SER -5 19.523 -12.411 -19.602 10 HG SER -5 HG SER -5 18.059 -13.021 -21.267 11 H SER -4 H SER -4 22.039 -12.152 -18.745 12 HA SER -4 HA SER -4 23.090 -13.515 -16.421 13 HB2 SER -4 HB2 SER -4 23.812 -11.227 -15.770 14 HB3 SER -4 HB3 SER -4 24.294 -11.686 -17.411 15 HG SER -4 HG SER -4 23.405 -9.558 -17.315 16 H GLY -3 H GLY -3 20.014 -12.092 -17.034 17 HA2 GLY -3 HA2 GLY -3 18.989 -12.880 -14.455 18 HA3 GLY -3 HA3 GLY -3 19.060 -11.121 -14.613 19 H SER -2 H SER -2 16.641 -12.323 -14.243 20 HA SER -2 HA SER -2 15.243 -13.022 -16.657 21 HB2 SER -2 HB2 SER -2 14.139 -12.132 -13.968 22 HB3 SER -2 HB3 SER -2 13.231 -12.937 -15.262 23 HG SER -2 HG SER -2 13.965 -14.413 -13.651 24 H SER -1 H SER -1 13.778 -11.898 -17.920 25 HA SER -1 HA SER -1 14.054 -8.997 -18.093 26 HB2 SER -1 HB2 SER -1 12.613 -9.261 -20.071 27 HB3 SER -1 HB3 SER -1 13.972 -10.400 -20.091 28 HG SER -1 HG SER -1 12.048 -11.475 -20.608 29 H GLY 0 H GLY 0 11.765 -11.147 -16.593 30 HA2 GLY 0 HA2 GLY 0 9.960 -10.697 -15.214 31 HA3 GLY 0 HA3 GLY 0 10.188 -8.968 -15.476 32 H MET 1 H MET 1 9.918 -10.539 -18.496 33 HA MET 1 HA MET 1 7.535 -9.138 -19.120 34 HB2 MET 1 HB2 MET 1 7.737 -10.085 -21.311 35 HB3 MET 1 HB3 MET 1 9.352 -9.710 -20.708 36 HG2 MET 1 HG2 MET 1 9.625 -12.136 -20.087 37 HG3 MET 1 HG3 MET 1 8.049 -12.464 -20.806 38 HE1 MET 1 HE1 MET 1 10.710 -14.029 -21.540 39 HE2 MET 1 HE2 MET 1 9.121 -14.379 -22.258 40 HE3 MET 1 HE3 MET 1 10.540 -14.151 -23.305 41 H ALA 2 H ALA 2 7.792 -12.255 -17.689 42 HA ALA 2 HA ALA 2 5.134 -13.166 -18.595 43 HB1 ALA 2 HB1 ALA 2 7.084 -14.674 -18.717 44 HB2 ALA 2 HB2 ALA 2 7.284 -14.559 -16.952 45 HB3 ALA 2 HB3 ALA 2 5.828 -15.307 -17.641 46 H GLU 3 H GLU 3 5.834 -11.005 -16.282 47 HA GLU 3 HA GLU 3 3.717 -11.928 -14.432 48 HB2 GLU 3 HB2 GLU 3 5.914 -12.649 -13.515 49 HB3 GLU 3 HB3 GLU 3 6.473 -10.973 -13.550 50 HG2 GLU 3 HG2 GLU 3 4.730 -10.333 -11.926 51 HG3 GLU 3 HG3 GLU 3 4.051 -11.964 -11.980 52 H ALA 4 H ALA 4 2.454 -10.355 -13.698 53 HA ALA 4 HA ALA 4 3.209 -7.501 -13.860 54 HB1 ALA 4 HB1 ALA 4 2.106 -7.983 -16.018 55 HB2 ALA 4 HB2 ALA 4 0.696 -8.646 -15.160 56 HB3 ALA 4 HB3 ALA 4 1.104 -6.922 -15.013 57 H ALA 5 H ALA 5 1.987 -6.128 -12.521 58 HA ALA 5 HA ALA 5 -0.069 -7.186 -10.714 59 HB1 ALA 5 HB1 ALA 5 2.046 -7.811 -9.569 60 HB2 ALA 5 HB2 ALA 5 2.603 -6.125 -9.668 61 HB3 ALA 5 HB3 ALA 5 1.188 -6.545 -8.676 62 H ALA 6 H ALA 6 -1.088 -5.481 -9.449 63 HA ALA 6 HA ALA 6 -1.757 -3.118 -10.774 64 HB1 ALA 6 HB1 ALA 6 -3.031 -4.174 -8.931 65 HB2 ALA 6 HB2 ALA 6 -1.767 -3.688 -7.777 66 HB3 ALA 6 HB3 ALA 6 -2.735 -2.458 -8.618 67 HA PRO 7 HA PRO 7 1.682 -0.522 -10.687 68 HB2 PRO 7 HB2 PRO 7 0.695 2.043 -10.328 69 HB3 PRO 7 HB3 PRO 7 0.545 1.082 -11.827 70 HG2 PRO 7 HG2 PRO 7 -1.484 1.362 -9.587 71 HG3 PRO 7 HG3 PRO 7 -1.752 1.533 -11.353 72 HD2 PRO 7 HD2 PRO 7 -2.331 -0.779 -10.112 73 HD3 PRO 7 HD3 PRO 7 -1.506 -0.815 -11.700 74 H TRP 8 H TRP 8 -0.348 -0.109 -7.818 75 HA TRP 8 HA TRP 8 1.688 1.202 -6.209 76 HB2 TRP 8 HB2 TRP 8 -0.068 0.523 -4.376 77 HB3 TRP 8 HB3 TRP 8 -0.385 1.798 -5.511 78 HD1 TRP 8 HD1 TRP 8 -2.412 1.550 -7.131 79 HE1 TRP 8 HE1 TRP 8 -4.321 -0.142 -7.398 80 HE3 TRP 8 HE3 TRP 8 -0.616 -2.174 -4.128 81 HZ2 TRP 8 HZ2 TRP 8 -5.016 -2.736 -6.383 82 HZ3 TRP 8 HZ3 TRP 8 -1.960 -4.236 -3.741 83 HH2 TRP 8 HH2 TRP 8 -4.142 -4.538 -4.895 84 H TYR 9 H TYR 9 1.469 -2.106 -7.131 85 HA TYR 9 HA TYR 9 2.454 -3.103 -4.546 86 HB2 TYR 9 HB2 TYR 9 0.870 -4.394 -5.928 87 HB3 TYR 9 HB3 TYR 9 2.101 -4.551 -7.178 88 HD1 TYR 9 HD2 TYR 9 1.551 -5.164 -3.499 89 HD2 TYR 9 HD1 TYR 9 3.544 -6.441 -7.109 90 HE1 TYR 9 HE2 TYR 9 2.420 -7.177 -2.314 91 HE2 TYR 9 HE1 TYR 9 4.378 -8.466 -5.930 92 HH TYR 9 HH TYR 9 4.401 -9.657 -3.973 93 H HIS 10 H HIS 10 4.478 -3.385 -3.959 94 HA HIS 10 HA HIS 10 6.701 -3.153 -5.960 95 HB2 HIS 10 HB2 HIS 10 6.359 -1.921 -3.219 96 HB3 HIS 10 HB3 HIS 10 7.950 -2.138 -3.938 97 HD1 HIS 10 HD1 HIS 10 8.738 -0.351 -5.654 98 HD2 HIS 10 HD2 HIS 10 4.626 -0.292 -4.792 99 HE1 HIS 10 HE1 HIS 10 7.793 1.720 -6.811 100 H GLY 11 H GLY 11 5.330 -5.582 -4.306 101 HA2 GLY 11 HA2 GLY 11 6.141 -7.709 -3.805 102 HA3 GLY 11 HA3 GLY 11 7.649 -7.214 -4.558 103 HA PRO 12 HA PRO 12 8.676 -8.031 -0.148 104 HB2 PRO 12 HB2 PRO 12 11.313 -8.713 -1.437 105 HB3 PRO 12 HB3 PRO 12 10.427 -9.573 -0.138 106 HG2 PRO 12 HG2 PRO 12 10.358 -10.511 -2.664 107 HG3 PRO 12 HG3 PRO 12 8.827 -10.423 -1.722 108 HD2 PRO 12 HD2 PRO 12 9.903 -8.410 -3.735 109 HD3 PRO 12 HD3 PRO 12 8.291 -9.183 -3.671 110 H LEU 13 H LEU 13 8.652 -5.333 -1.010 111 HA LEU 13 HA LEU 13 11.167 -4.016 -0.498 112 HB2 LEU 13 HB2 LEU 13 9.018 -3.190 -1.774 113 HB3 LEU 13 HB3 LEU 13 8.426 -2.775 -0.171 114 HG LEU 13 HG LEU 13 10.479 -1.321 0.133 115 HD11 LEU 13 HD11 LEU 13 11.978 -2.243 -1.572 116 HD12 LEU 13 HD12 LEU 13 10.773 -1.942 -2.845 117 HD13 LEU 13 HD13 LEU 13 11.569 -0.586 -2.036 118 HD21 LEU 13 HD21 LEU 13 8.671 -0.633 -2.219 119 HD22 LEU 13 HD22 LEU 13 8.254 -0.420 -0.507 120 HD23 LEU 13 HD23 LEU 13 9.585 0.508 -1.214 121 H SER 14 H SER 14 11.937 -3.054 1.377 122 HA SER 14 HA SER 14 10.699 -3.861 3.974 123 HB2 SER 14 HB2 SER 14 13.477 -2.827 3.294 124 HB3 SER 14 HB3 SER 14 12.895 -3.173 4.930 125 HG SER 14 HG SER 14 13.076 -5.033 2.773 126 H ARG 15 H ARG 15 10.745 -2.284 5.758 127 HA ARG 15 HA ARG 15 9.279 0.069 5.296 128 HB2 ARG 15 HB2 ARG 15 11.082 -0.854 7.559 129 HB3 ARG 15 HB3 ARG 15 10.529 0.812 7.522 130 HG2 ARG 15 HG2 ARG 15 8.137 -0.064 7.314 131 HG3 ARG 15 HG3 ARG 15 8.799 -1.676 7.644 132 HD2 ARG 15 HD2 ARG 15 7.983 -0.657 9.718 133 HD3 ARG 15 HD3 ARG 15 9.754 -0.825 9.773 134 HE ARG 15 HE ARG 15 9.238 1.757 8.757 135 HH11 ARG 15 HH11 ARG 15 8.605 0.202 11.843 136 HH12 ARG 15 HH12 ARG 15 8.839 1.697 12.708 137 HH21 ARG 15 HH21 ARG 15 9.650 3.458 9.834 138 HH22 ARG 15 HH22 ARG 15 9.392 3.571 11.577 139 H THR 16 H THR 16 12.809 0.031 5.960 140 HA THR 16 HA THR 16 13.194 2.771 5.675 141 HB THR 16 HB THR 16 15.260 0.711 4.827 142 HG1 THR 16 HG1 THR 16 14.654 1.576 7.460 143 HG21 THR 16 HG21 THR 16 16.032 3.011 4.568 144 HG22 THR 16 HG22 THR 16 15.455 3.433 6.197 145 HG23 THR 16 HG23 THR 16 16.815 2.302 5.987 146 H ASP 17 H ASP 17 13.090 0.384 3.043 147 HA ASP 17 HA ASP 17 13.905 2.235 0.944 148 HB2 ASP 17 HB2 ASP 17 12.523 -0.473 0.931 149 HB3 ASP 17 HB3 ASP 17 12.939 0.413 -0.525 150 H ALA 18 H ALA 18 10.726 1.019 2.135 151 HA ALA 18 HA ALA 18 9.099 2.492 0.306 152 HB1 ALA 18 HB1 ALA 18 8.302 0.578 1.665 153 HB2 ALA 18 HB2 ALA 18 8.526 1.521 3.149 154 HB3 ALA 18 HB3 ALA 18 7.308 2.020 1.966 155 H GLU 19 H GLU 19 10.313 3.330 3.563 156 HA GLU 19 HA GLU 19 9.066 5.896 3.757 157 HB2 GLU 19 HB2 GLU 19 11.526 4.744 5.125 158 HB3 GLU 19 HB3 GLU 19 10.821 6.320 5.506 159 HG2 GLU 19 HG2 GLU 19 8.655 5.206 6.053 160 HG3 GLU 19 HG3 GLU 19 9.386 3.645 5.747 161 H ASN 20 H ASN 20 12.319 4.995 2.470 162 HA ASN 20 HA ASN 20 13.135 7.712 2.066 163 HB2 ASN 20 HB2 ASN 20 14.071 5.006 1.122 164 HB3 ASN 20 HB3 ASN 20 14.588 6.397 0.187 165 HD21 ASN 20 HD22 ASN 20 14.825 4.863 3.345 166 HD22 ASN 20 HD21 ASN 20 16.142 5.902 3.911 167 H SER 21 H SER 21 11.159 5.613 -0.039 168 HA SER 21 HA SER 21 11.130 7.563 -2.220 169 HB2 SER 21 HB2 SER 21 9.281 5.226 -1.610 170 HB3 SER 21 HB3 SER 21 9.254 6.201 -3.091 171 HG SER 21 HG SER 21 11.390 5.519 -3.523 172 H LEU 22 H LEU 22 8.688 6.648 0.303 173 HA LEU 22 HA LEU 22 6.854 8.663 -0.602 174 HB2 LEU 22 HB2 LEU 22 6.989 6.685 1.612 175 HB3 LEU 22 HB3 LEU 22 5.953 8.070 1.870 176 HG LEU 22 HG LEU 22 4.627 7.604 -0.066 177 HD11 LEU 22 HD11 LEU 22 6.173 6.625 -1.676 178 HD12 LEU 22 HD12 LEU 22 6.491 5.252 -0.585 179 HD13 LEU 22 HD13 LEU 22 4.889 5.453 -1.330 180 HD21 LEU 22 HD21 LEU 22 5.129 5.038 1.498 181 HD22 LEU 22 HD22 LEU 22 4.316 6.470 2.155 182 HD23 LEU 22 HD23 LEU 22 3.604 5.607 0.775 183 H LEU 23 H LEU 23 9.460 8.900 1.784 184 HA LEU 23 HA LEU 23 8.572 11.388 2.937 185 HB2 LEU 23 HB2 LEU 23 10.187 9.834 3.974 186 HB3 LEU 23 HB3 LEU 23 11.335 10.138 2.667 187 HG LEU 23 HG LEU 23 11.586 12.476 3.410 188 HD11 LEU 23 HD11 LEU 23 9.376 12.903 4.428 189 HD12 LEU 23 HD12 LEU 23 9.693 11.671 5.673 190 HD13 LEU 23 HD13 LEU 23 10.651 13.168 5.618 191 HD21 LEU 23 HD21 LEU 23 11.921 10.447 5.653 192 HD22 LEU 23 HD22 LEU 23 13.056 10.721 4.311 193 HD23 LEU 23 HD23 LEU 23 12.773 12.001 5.502 194 H ARG 24 H ARG 24 10.208 10.618 -0.066 195 HA ARG 24 HA ARG 24 10.870 13.456 -0.668 196 HB2 ARG 24 HB2 ARG 24 11.328 10.845 -2.175 197 HB3 ARG 24 HB3 ARG 24 11.769 12.442 -2.795 198 HG2 ARG 24 HG2 ARG 24 13.280 12.826 -0.905 199 HG3 ARG 24 HG3 ARG 24 12.827 11.274 -0.177 200 HD2 ARG 24 HD2 ARG 24 13.750 10.057 -2.109 201 HD3 ARG 24 HD3 ARG 24 14.102 11.580 -2.925 202 HE ARG 24 HE ARG 24 15.987 11.890 -1.629 203 HH11 ARG 24 HH11 ARG 24 14.189 9.265 -0.134 204 HH12 ARG 24 HH12 ARG 24 15.549 8.823 0.886 205 HH21 ARG 24 HH21 ARG 24 17.638 11.270 -0.268 206 HH22 ARG 24 HH22 ARG 24 17.401 9.935 0.824 207 H MET 25 H MET 25 8.385 11.132 -1.377 208 HA MET 25 HA MET 25 7.163 12.644 -3.557 209 HB2 MET 25 HB2 MET 25 6.293 10.251 -1.902 210 HB3 MET 25 HB3 MET 25 5.294 10.928 -3.163 211 HG2 MET 25 HG2 MET 25 8.098 9.918 -3.575 212 HG3 MET 25 HG3 MET 25 6.662 8.986 -3.924 213 HE1 MET 25 HE1 MET 25 5.316 9.118 -6.131 214 HE2 MET 25 HE2 MET 25 4.651 10.617 -5.444 215 HE3 MET 25 HE3 MET 25 5.222 10.588 -7.127 216 HA PRO 26 HA PRO 26 4.373 15.185 -1.141 217 HB2 PRO 26 HB2 PRO 26 2.152 15.364 -2.709 218 HB3 PRO 26 HB3 PRO 26 3.719 16.109 -3.163 219 HG2 PRO 26 HG2 PRO 26 2.597 13.450 -4.051 220 HG3 PRO 26 HG3 PRO 26 3.279 14.754 -5.082 221 HD2 PRO 26 HD2 PRO 26 4.748 12.610 -4.301 222 HD3 PRO 26 HD3 PRO 26 5.501 14.213 -4.430 223 H GLU 27 H GLU 27 2.305 15.166 -0.001 224 HA GLU 27 HA GLU 27 1.616 12.715 1.274 225 HB2 GLU 27 HB2 GLU 27 1.328 14.835 2.365 226 HB3 GLU 27 HB3 GLU 27 0.227 15.413 1.109 227 HG2 GLU 27 HG2 GLU 27 -1.515 13.900 1.812 228 HG3 GLU 27 HG3 GLU 27 -0.414 13.019 2.864 229 H GLY 28 H GLY 28 0.077 11.242 1.060 230 HA2 GLY 28 HA2 GLY 28 -1.862 10.201 0.193 231 HA3 GLY 28 HA3 GLY 28 -1.962 11.432 -1.068 232 H THR 29 H THR 29 1.221 10.396 -1.000 233 HA THR 29 HA THR 29 0.897 8.555 -3.278 234 HB THR 29 HB THR 29 3.514 9.267 -1.866 235 HG1 THR 29 HG1 THR 29 2.781 11.150 -2.691 236 HG21 THR 29 HG21 THR 29 3.599 7.244 -3.266 237 HG22 THR 29 HG22 THR 29 2.856 8.128 -4.620 238 HG23 THR 29 HG23 THR 29 4.463 8.580 -4.017 239 H PHE 30 H PHE 30 0.857 6.323 -3.090 240 HA PHE 30 HA PHE 30 1.724 5.141 -0.504 241 HB2 PHE 30 HB2 PHE 30 -0.306 3.927 -0.278 242 HB3 PHE 30 HB3 PHE 30 -0.691 5.627 -0.436 243 HD1 PHE 30 HD1 PHE 30 -1.785 6.483 -2.516 244 HD2 PHE 30 HD2 PHE 30 -0.894 2.312 -1.999 245 HE1 PHE 30 HE1 PHE 30 -3.241 5.936 -4.454 246 HE2 PHE 30 HE2 PHE 30 -2.406 1.750 -3.893 247 HZ PHE 30 HZ PHE 30 -3.526 3.560 -5.164 248 H LEU 31 H LEU 31 1.882 2.856 -0.465 249 HA LEU 31 HA LEU 31 2.099 1.408 -2.999 250 HB2 LEU 31 HB2 LEU 31 4.398 0.746 -2.767 251 HB3 LEU 31 HB3 LEU 31 4.285 2.484 -2.806 252 HG LEU 31 HG LEU 31 4.476 2.371 -0.206 253 HD11 LEU 31 HD11 LEU 31 4.274 -0.070 0.195 254 HD12 LEU 31 HD12 LEU 31 5.583 -0.384 -0.962 255 HD13 LEU 31 HD13 LEU 31 5.902 0.451 0.572 256 HD21 LEU 31 HD21 LEU 31 6.810 1.565 -1.984 257 HD22 LEU 31 HD22 LEU 31 6.194 3.211 -1.727 258 HD23 LEU 31 HD23 LEU 31 6.918 2.338 -0.383 259 H VAL 32 H VAL 32 2.329 -0.890 -2.706 260 HA VAL 32 HA VAL 32 1.781 -1.891 0.040 261 HB VAL 32 HB VAL 32 0.548 -3.029 -2.477 262 HG11 VAL 32 HG11 VAL 32 0.953 -4.805 -0.844 263 HG12 VAL 32 HG12 VAL 32 0.247 -3.813 0.454 264 HG13 VAL 32 HG13 VAL 32 -0.766 -4.419 -0.868 265 HG21 VAL 32 HG21 VAL 32 -0.691 -1.489 -0.146 266 HG22 VAL 32 HG22 VAL 32 -0.554 -0.916 -1.823 267 HG23 VAL 32 HG23 VAL 32 -1.600 -2.289 -1.450 268 H ARG 33 H ARG 33 2.942 -3.571 0.699 269 HA ARG 33 HA ARG 33 4.859 -4.899 -1.172 270 HB2 ARG 33 HB2 ARG 33 6.693 -4.468 0.383 271 HB3 ARG 33 HB3 ARG 33 5.952 -2.952 -0.133 272 HG2 ARG 33 HG2 ARG 33 4.605 -3.045 2.077 273 HG3 ARG 33 HG3 ARG 33 5.689 -4.358 2.549 274 HD2 ARG 33 HD2 ARG 33 7.616 -2.689 2.106 275 HD3 ARG 33 HD3 ARG 33 6.381 -1.460 1.905 276 HE ARG 33 HE ARG 33 6.045 -1.400 4.189 277 HH11 ARG 33 HH11 ARG 33 8.025 -4.271 3.552 278 HH12 ARG 33 HH12 ARG 33 8.064 -4.662 5.269 279 HH21 ARG 33 HH21 ARG 33 6.286 -2.015 6.355 280 HH22 ARG 33 HH22 ARG 33 7.189 -3.469 6.722 281 H ASP 34 H ASP 34 5.727 -6.890 -0.429 282 HA ASP 34 HA ASP 34 3.947 -8.603 1.133 283 HB2 ASP 34 HB2 ASP 34 5.303 -9.535 -0.650 284 HB3 ASP 34 HB3 ASP 34 6.778 -8.970 0.119 285 H SER 35 H SER 35 4.000 -9.079 3.279 286 HA SER 35 HA SER 35 5.003 -6.999 4.897 287 HB2 SER 35 HB2 SER 35 2.929 -8.117 5.396 288 HB3 SER 35 HB3 SER 35 3.773 -9.640 5.717 289 HG SER 35 HG SER 35 3.222 -8.192 7.572 290 H THR 36 H THR 36 6.592 -6.655 6.174 291 HA THR 36 HA THR 36 8.865 -8.463 6.441 292 HB THR 36 HB THR 36 9.534 -6.471 8.088 293 HG1 THR 36 HG1 THR 36 7.687 -5.302 8.085 294 HG21 THR 36 HG21 THR 36 10.708 -6.950 6.027 295 HG22 THR 36 HG22 THR 36 9.391 -6.278 5.051 296 HG23 THR 36 HG23 THR 36 10.366 -5.216 6.105 297 H SER 37 H SER 37 5.889 -8.358 8.034 298 HA SER 37 HA SER 37 6.900 -9.401 10.620 299 HB2 SER 37 HB2 SER 37 4.084 -9.330 9.478 300 HB3 SER 37 HB3 SER 37 4.536 -9.889 11.090 301 HG SER 37 HG SER 37 5.078 -7.273 10.102 302 H SER 38 H SER 38 5.046 -10.701 7.816 303 HA SER 38 HA SER 38 6.261 -13.370 8.097 304 HB2 SER 38 HB2 SER 38 3.250 -12.937 8.341 305 HB3 SER 38 HB3 SER 38 4.065 -14.503 8.241 306 HG SER 38 HG SER 38 5.138 -13.954 10.234 307 HA PRO 39 HA PRO 39 5.482 -13.165 3.667 308 HB2 PRO 39 HB2 PRO 39 5.730 -15.787 2.930 309 HB3 PRO 39 HB3 PRO 39 7.124 -14.775 3.422 310 HG2 PRO 39 HG2 PRO 39 5.535 -16.714 5.139 311 HG3 PRO 39 HG3 PRO 39 7.317 -16.598 4.962 312 HD2 PRO 39 HD2 PRO 39 6.004 -15.423 7.033 313 HD3 PRO 39 HD3 PRO 39 7.409 -14.625 6.262 314 H GLY 40 H GLY 40 3.788 -13.447 2.217 315 HA2 GLY 40 HA2 GLY 40 1.726 -14.181 1.383 316 HA3 GLY 40 HA3 GLY 40 1.466 -15.168 2.821 317 H ASP 41 H ASP 41 2.239 -12.389 4.237 318 HA ASP 41 HA ASP 41 -0.459 -11.096 4.102 319 HB2 ASP 41 HB2 ASP 41 1.683 -10.985 6.259 320 HB3 ASP 41 HB3 ASP 41 0.224 -9.999 6.233 321 H TYR 42 H TYR 42 -0.369 -8.663 4.201 322 HA TYR 42 HA TYR 42 2.006 -7.593 2.723 323 HB2 TYR 42 HB2 TYR 42 -0.913 -7.094 2.063 324 HB3 TYR 42 HB3 TYR 42 0.473 -6.375 1.259 325 HD1 TYR 42 HD2 TYR 42 2.092 -7.894 0.032 326 HD2 TYR 42 HD1 TYR 42 -1.734 -9.245 1.474 327 HE1 TYR 42 HE2 TYR 42 2.217 -9.870 -1.494 328 HE2 TYR 42 HE1 TYR 42 -1.615 -11.222 -0.045 329 HH TYR 42 HH TYR 42 1.180 -11.774 -2.227 330 H VAL 43 H VAL 43 2.066 -5.204 2.633 331 HA VAL 43 HA VAL 43 0.828 -3.831 4.981 332 HB VAL 43 HB VAL 43 3.771 -3.613 4.235 333 HG11 VAL 43 HG11 VAL 43 2.906 -1.488 5.134 334 HG12 VAL 43 HG12 VAL 43 2.165 -2.352 6.502 335 HG13 VAL 43 HG13 VAL 43 3.926 -2.283 6.335 336 HG21 VAL 43 HG21 VAL 43 2.465 -4.889 6.668 337 HG22 VAL 43 HG22 VAL 43 3.318 -5.738 5.372 338 HG23 VAL 43 HG23 VAL 43 4.214 -4.647 6.433 339 H LEU 44 H LEU 44 0.008 -1.924 4.499 340 HA LEU 44 HA LEU 44 0.464 -0.625 1.861 341 HB2 LEU 44 HB2 LEU 44 -1.872 -0.987 2.524 342 HB3 LEU 44 HB3 LEU 44 -1.582 -0.257 4.083 343 HG LEU 44 HG LEU 44 -1.253 1.935 3.060 344 HD11 LEU 44 HD11 LEU 44 -0.331 1.489 0.904 345 HD12 LEU 44 HD12 LEU 44 -1.761 0.549 0.415 346 HD13 LEU 44 HD13 LEU 44 -1.869 2.304 0.669 347 HD21 LEU 44 HD21 LEU 44 -3.772 0.550 2.031 348 HD22 LEU 44 HD22 LEU 44 -3.541 1.167 3.682 349 HD23 LEU 44 HD23 LEU 44 -3.574 2.291 2.313 350 H SER 45 H SER 45 1.882 1.028 1.798 351 HA SER 45 HA SER 45 2.554 2.486 4.323 352 HB2 SER 45 HB2 SER 45 4.389 2.103 1.952 353 HB3 SER 45 HB3 SER 45 4.764 2.909 3.482 354 HG SER 45 HG SER 45 4.089 0.161 3.104 355 H CYS 46 H CYS 46 2.269 4.676 4.302 356 HA CYS 46 HA CYS 46 1.470 6.007 1.735 357 HB2 CYS 46 HB2 CYS 46 -0.030 6.038 4.388 358 HB3 CYS 46 HB3 CYS 46 -0.417 7.047 2.988 359 HG CYS 46 HG CYS 46 -2.162 5.109 3.196 360 H SER 47 H SER 47 2.090 8.156 1.488 361 HA SER 47 HA SER 47 3.668 9.433 3.595 362 HB2 SER 47 HB2 SER 47 3.822 11.248 1.929 363 HB3 SER 47 HB3 SER 47 4.462 9.703 1.362 364 HG SER 47 HG SER 47 3.030 10.992 -0.088 365 H GLU 48 H GLU 48 2.577 10.172 5.229 366 HA GLU 48 HA GLU 48 0.295 12.059 4.800 367 HB2 GLU 48 HB2 GLU 48 0.172 9.656 6.664 368 HB3 GLU 48 HB3 GLU 48 -0.857 11.054 6.786 369 HG2 GLU 48 HG2 GLU 48 -1.785 10.693 4.560 370 HG3 GLU 48 HG3 GLU 48 -0.711 9.310 4.305 371 H ASN 49 H ASN 49 0.080 13.713 6.254 372 HA ASN 49 HA ASN 49 0.610 15.196 7.857 373 HB2 ASN 49 HB2 ASN 49 -0.445 13.470 9.169 374 HB3 ASN 49 HB3 ASN 49 1.081 12.631 9.417 375 HD21 ASN 49 HD22 ASN 49 -0.404 15.888 10.007 376 HD22 ASN 49 HD21 ASN 49 0.359 16.053 11.579 377 H GLY 50 H GLY 50 2.684 14.749 6.000 378 HA2 GLY 50 HA2 GLY 50 4.820 15.535 5.609 379 HA3 GLY 50 HA3 GLY 50 4.895 16.098 7.281 380 H LYS 51 H LYS 51 4.167 12.781 7.171 381 HA LYS 51 HA LYS 51 6.995 11.846 7.261 382 HB2 LYS 51 HB2 LYS 51 6.523 10.546 9.264 383 HB3 LYS 51 HB3 LYS 51 6.281 12.254 9.572 384 HG2 LYS 51 HG2 LYS 51 3.876 12.028 9.574 385 HG3 LYS 51 HG3 LYS 51 3.967 10.372 8.937 386 HD2 LYS 51 HD2 LYS 51 5.067 9.594 10.963 387 HD3 LYS 51 HD3 LYS 51 5.072 11.223 11.650 388 HE2 LYS 51 HE2 LYS 51 2.463 9.945 10.765 389 HE3 LYS 51 HE3 LYS 51 3.208 9.427 12.278 390 HZ1 LYS 51 HZ1 LYS 51 3.137 11.709 13.069 391 HZ2 LYS 51 HZ2 LYS 51 2.445 12.248 11.690 392 HZ3 LYS 51 HZ3 LYS 51 1.636 11.215 12.660 393 H VAL 52 H VAL 52 6.547 9.220 7.771 394 HA VAL 52 HA VAL 52 4.689 8.244 5.646 395 HB VAL 52 HB VAL 52 7.438 7.091 6.209 396 HG11 VAL 52 HG11 VAL 52 5.884 5.354 5.484 397 HG12 VAL 52 HG12 VAL 52 5.256 6.397 4.194 398 HG13 VAL 52 HG13 VAL 52 6.907 5.760 4.111 399 HG21 VAL 52 HG21 VAL 52 6.423 8.832 3.933 400 HG22 VAL 52 HG22 VAL 52 7.772 9.164 5.032 401 HG23 VAL 52 HG23 VAL 52 7.921 7.871 3.847 402 H THR 53 H THR 53 3.392 6.624 6.207 403 HA THR 53 HA THR 53 3.729 5.292 8.867 404 HB THR 53 HB THR 53 1.244 5.334 9.025 405 HG1 THR 53 HG1 THR 53 0.093 6.570 7.697 406 HG21 THR 53 HG21 THR 53 2.627 7.026 10.227 407 HG22 THR 53 HG22 THR 53 2.466 8.122 8.834 408 HG23 THR 53 HG23 THR 53 1.030 7.641 9.762 409 H HIS 54 H HIS 54 2.595 3.245 9.089 410 HA HIS 54 HA HIS 54 2.352 1.687 6.556 411 HB2 HIS 54 HB2 HIS 54 3.878 0.772 9.013 412 HB3 HIS 54 HB3 HIS 54 3.724 -0.066 7.475 413 HD1 HIS 54 HD1 HIS 54 5.070 1.270 5.328 414 HD2 HIS 54 HD2 HIS 54 5.921 2.369 9.307 415 HE1 HIS 54 HE1 HIS 54 7.297 2.501 5.276 416 H TYR 55 H TYR 55 0.811 0.154 6.537 417 HA TYR 55 HA TYR 55 -0.749 -0.481 9.013 418 HB2 TYR 55 HB2 TYR 55 -1.903 0.235 6.288 419 HB3 TYR 55 HB3 TYR 55 -2.791 -0.088 7.775 420 HD1 TYR 55 HD2 TYR 55 -2.531 1.526 9.749 421 HD2 TYR 55 HD1 TYR 55 -1.083 2.419 5.780 422 HE1 TYR 55 HE2 TYR 55 -2.334 3.930 10.362 423 HE2 TYR 55 HE1 TYR 55 -0.909 4.825 6.387 424 HH TYR 55 HH TYR 55 -1.724 6.006 9.686 425 H LYS 56 H LYS 56 -1.109 -2.637 9.255 426 HA LYS 56 HA LYS 56 -0.106 -4.458 7.200 427 HB2 LYS 56 HB2 LYS 56 -1.256 -4.949 9.968 428 HB3 LYS 56 HB3 LYS 56 -0.686 -6.228 8.882 429 HG2 LYS 56 HG2 LYS 56 1.557 -5.205 8.791 430 HG3 LYS 56 HG3 LYS 56 1.023 -3.869 9.810 431 HD2 LYS 56 HD2 LYS 56 2.331 -5.428 11.095 432 HD3 LYS 56 HD3 LYS 56 0.667 -5.410 11.698 433 HE2 LYS 56 HE2 LYS 56 0.173 -7.526 10.639 434 HE3 LYS 56 HE3 LYS 56 1.680 -7.487 9.710 435 HZ1 LYS 56 HZ1 LYS 56 2.933 -7.769 11.713 436 HZ2 LYS 56 HZ2 LYS 56 1.604 -7.643 12.674 437 HZ3 LYS 56 HZ3 LYS 56 1.790 -8.940 11.700 438 H LEU 57 H LEU 57 -1.087 -5.590 5.793 439 HA LEU 57 HA LEU 57 -4.073 -5.727 5.594 440 HB2 LEU 57 HB2 LEU 57 -1.816 -5.934 3.581 441 HB3 LEU 57 HB3 LEU 57 -3.470 -6.369 3.180 442 HG LEU 57 HG LEU 57 -2.923 -3.629 4.289 443 HD11 LEU 57 HD11 LEU 57 -1.217 -3.736 2.625 444 HD12 LEU 57 HD12 LEU 57 -2.238 -4.627 1.501 445 HD13 LEU 57 HD13 LEU 57 -2.580 -2.924 1.824 446 HD21 LEU 57 HD21 LEU 57 -4.774 -4.587 2.070 447 HD22 LEU 57 HD22 LEU 57 -5.259 -4.447 3.768 448 HD23 LEU 57 HD23 LEU 57 -4.789 -3.000 2.861 449 H SER 58 H SER 58 -4.328 -7.424 6.972 450 HA SER 58 HA SER 58 -2.643 -9.839 6.879 451 HB2 SER 58 HB2 SER 58 -5.022 -9.078 8.606 452 HB3 SER 58 HB3 SER 58 -4.080 -10.569 8.780 453 HG SER 58 HG SER 58 -3.344 -8.900 10.187 454 H ALA 59 H ALA 59 -3.174 -11.802 6.032 455 HA ALA 59 HA ALA 59 -5.600 -12.057 4.401 456 HB1 ALA 59 HB1 ALA 59 -3.468 -12.974 3.624 457 HB2 ALA 59 HB2 ALA 59 -3.387 -14.041 5.045 458 HB3 ALA 59 HB3 ALA 59 -4.673 -14.261 3.836 459 H GLU 60 H GLU 60 -7.498 -12.802 5.063 460 HA GLU 60 HA GLU 60 -7.747 -14.568 7.472 461 HB2 GLU 60 HB2 GLU 60 -8.098 -12.154 8.036 462 HB3 GLU 60 HB3 GLU 60 -9.425 -12.091 6.870 463 HG2 GLU 60 HG2 GLU 60 -10.565 -13.937 8.170 464 HG3 GLU 60 HG3 GLU 60 -9.257 -13.861 9.353 465 H GLU 61 H GLU 61 -8.384 -16.432 6.483 466 HA GLU 61 HA GLU 61 -9.450 -17.910 5.153 467 HB2 GLU 61 HB2 GLU 61 -11.198 -16.990 6.812 468 HB3 GLU 61 HB3 GLU 61 -11.958 -16.254 5.400 469 HG2 GLU 61 HG2 GLU 61 -12.139 -18.536 4.359 470 HG3 GLU 61 HG3 GLU 61 -11.325 -19.226 5.759 471 H GLY 62 H GLY 62 -8.100 -15.871 3.768 472 HA2 GLY 62 HA2 GLY 62 -7.572 -15.618 1.484 473 HA3 GLY 62 HA3 GLY 62 -9.174 -16.195 1.031 474 H LYS 63 H LYS 63 -9.883 -13.926 3.289 475 HA LYS 63 HA LYS 63 -10.123 -11.644 1.374 476 HB2 LYS 63 HB2 LYS 63 -11.433 -12.255 4.058 477 HB3 LYS 63 HB3 LYS 63 -11.583 -10.710 3.239 478 HG2 LYS 63 HG2 LYS 63 -12.490 -11.902 1.215 479 HG3 LYS 63 HG3 LYS 63 -12.473 -13.410 2.149 480 HD2 LYS 63 HD2 LYS 63 -14.001 -12.388 3.818 481 HD3 LYS 63 HD3 LYS 63 -14.025 -10.881 2.872 482 HE2 LYS 63 HE2 LYS 63 -14.954 -12.116 0.929 483 HE3 LYS 63 HE3 LYS 63 -14.914 -13.622 1.857 484 HZ1 LYS 63 HZ1 LYS 63 -16.508 -12.631 3.414 485 HZ2 LYS 63 HZ2 LYS 63 -16.549 -11.237 2.556 486 HZ3 LYS 63 HZ3 LYS 63 -17.122 -12.617 1.903 487 H ILE 64 H ILE 64 -9.815 -9.468 2.400 488 HA ILE 64 HA ILE 64 -7.134 -9.365 3.740 489 HB ILE 64 HB ILE 64 -8.539 -7.525 1.782 490 HG12 ILE 64 HG12 ILE 64 -7.418 -9.426 0.726 491 HG13 ILE 64 HG13 ILE 64 -6.645 -7.908 0.329 492 HG21 ILE 64 HG21 ILE 64 -7.493 -6.034 3.365 493 HG22 ILE 64 HG22 ILE 64 -5.978 -6.959 3.326 494 HG23 ILE 64 HG23 ILE 64 -6.545 -6.061 1.891 495 HD11 ILE 64 HD11 ILE 64 -4.814 -8.400 1.960 496 HD12 ILE 64 HD12 ILE 64 -5.582 -9.968 2.311 497 HD13 ILE 64 HD13 ILE 64 -4.963 -9.622 0.690 498 H ARG 65 H ARG 65 -7.177 -8.854 5.792 499 HA ARG 65 HA ARG 65 -9.247 -6.998 6.895 500 HB2 ARG 65 HB2 ARG 65 -9.060 -9.232 7.969 501 HB3 ARG 65 HB3 ARG 65 -7.356 -8.940 8.270 502 HG2 ARG 65 HG2 ARG 65 -8.398 -8.530 10.333 503 HG3 ARG 65 HG3 ARG 65 -8.034 -6.937 9.701 504 HD2 ARG 65 HD2 ARG 65 -10.207 -6.787 10.623 505 HD3 ARG 65 HD3 ARG 65 -10.468 -6.840 8.873 506 HE ARG 65 HE ARG 65 -10.558 -9.512 9.820 507 HH11 ARG 65 HH11 ARG 65 -12.553 -6.628 10.418 508 HH12 ARG 65 HH12 ARG 65 -13.947 -7.616 10.729 509 HH21 ARG 65 HH21 ARG 65 -12.405 -10.619 10.078 510 HH22 ARG 65 HH22 ARG 65 -13.869 -9.799 10.579 511 H ILE 66 H ILE 66 -8.662 -4.973 7.388 512 HA ILE 66 HA ILE 66 -5.871 -4.367 8.163 513 HB ILE 66 HB ILE 66 -5.753 -3.883 5.880 514 HG12 ILE 66 HG12 ILE 66 -6.181 -1.213 7.256 515 HG13 ILE 66 HG13 ILE 66 -4.783 -2.242 7.542 516 HG21 ILE 66 HG21 ILE 66 -8.187 -3.706 5.336 517 HG22 ILE 66 HG22 ILE 66 -8.207 -2.090 6.074 518 HG23 ILE 66 HG23 ILE 66 -7.239 -2.418 4.620 519 HD11 ILE 66 HD11 ILE 66 -4.077 -2.026 5.218 520 HD12 ILE 66 HD12 ILE 66 -5.508 -1.051 4.827 521 HD13 ILE 66 HD13 ILE 66 -4.296 -0.427 5.944 522 H ASP 67 H ASP 67 -5.748 -3.218 9.896 523 HA ASP 67 HA ASP 67 -6.345 -2.388 11.877 524 HB2 ASP 67 HB2 ASP 67 -6.495 -0.292 10.628 525 HB3 ASP 67 HB3 ASP 67 -8.210 -0.566 10.335 526 H THR 68 H THR 68 -9.690 -1.910 10.830 527 HA THR 68 HA THR 68 -10.529 -4.460 12.161 528 HB THR 68 HB THR 68 -12.617 -3.358 12.859 529 HG1 THR 68 HG1 THR 68 -12.691 -1.093 12.821 530 HG21 THR 68 HG21 THR 68 -10.713 -3.517 14.460 531 HG22 THR 68 HG22 THR 68 -10.180 -1.896 13.962 532 HG23 THR 68 HG23 THR 68 -11.755 -2.114 14.757 533 H HIS 69 H HIS 69 -10.514 -2.689 9.245 534 HA HIS 69 HA HIS 69 -13.172 -3.414 8.299 535 HB2 HIS 69 HB2 HIS 69 -10.809 -2.111 6.895 536 HB3 HIS 69 HB3 HIS 69 -12.445 -2.260 6.259 537 HD1 HIS 69 HD1 HIS 69 -14.232 -0.467 7.139 538 HD2 HIS 69 HD2 HIS 69 -10.383 -0.249 8.827 539 HE1 HIS 69 HE1 HIS 69 -14.127 1.749 8.395 540 H LEU 70 H LEU 70 -13.634 -4.960 6.883 541 HA LEU 70 HA LEU 70 -11.492 -6.797 5.907 542 HB2 LEU 70 HB2 LEU 70 -13.085 -7.743 7.630 543 HB3 LEU 70 HB3 LEU 70 -14.384 -7.506 6.467 544 HG LEU 70 HG LEU 70 -13.057 -9.028 4.866 545 HD11 LEU 70 HD11 LEU 70 -10.855 -8.900 6.072 546 HD12 LEU 70 HD12 LEU 70 -11.584 -9.752 7.439 547 HD13 LEU 70 HD13 LEU 70 -11.425 -10.560 5.872 548 HD21 LEU 70 HD21 LEU 70 -14.021 -10.188 7.511 549 HD22 LEU 70 HD22 LEU 70 -15.031 -9.813 6.097 550 HD23 LEU 70 HD23 LEU 70 -13.806 -11.091 5.997 551 H PHE 71 H PHE 71 -11.295 -7.126 3.801 552 HA PHE 71 HA PHE 71 -13.395 -6.219 1.872 553 HB2 PHE 71 HB2 PHE 71 -10.387 -5.796 1.665 554 HB3 PHE 71 HB3 PHE 71 -11.590 -5.349 0.467 555 HD1 PHE 71 HD2 PHE 71 -13.382 -3.598 1.127 556 HD2 PHE 71 HD1 PHE 71 -9.825 -4.326 3.457 557 HE1 PHE 71 HE2 PHE 71 -13.698 -1.429 2.296 558 HE2 PHE 71 HE1 PHE 71 -10.117 -2.125 4.576 559 HZ PHE 71 HZ PHE 71 -12.065 -0.698 4.025 560 H ASP 72 H ASP 72 -13.332 -7.241 -0.207 561 HA ASP 72 HA ASP 72 -12.796 -10.034 -0.152 562 HB2 ASP 72 HB2 ASP 72 -14.519 -9.006 -1.554 563 HB3 ASP 72 HB3 ASP 72 -13.302 -8.103 -2.450 564 H ASN 73 H ASN 73 -10.848 -7.333 -1.345 565 HA ASN 73 HA ASN 73 -8.454 -8.980 -1.706 566 HB2 ASN 73 HB2 ASN 73 -8.226 -8.397 -4.112 567 HB3 ASN 73 HB3 ASN 73 -9.643 -9.394 -3.816 568 HD21 ASN 73 HD22 ASN 73 -11.688 -8.580 -4.431 569 HD22 ASN 73 HD21 ASN 73 -11.871 -6.952 -5.083 570 H LEU 74 H LEU 74 -6.639 -7.563 -2.657 571 HA LEU 74 HA LEU 74 -6.197 -5.343 -0.930 572 HB2 LEU 74 HB2 LEU 74 -4.800 -6.275 -3.465 573 HB3 LEU 74 HB3 LEU 74 -4.230 -4.937 -2.474 574 HG LEU 74 HG LEU 74 -4.456 -7.832 -1.569 575 HD11 LEU 74 HD11 LEU 74 -2.609 -7.363 -3.147 576 HD12 LEU 74 HD12 LEU 74 -2.061 -6.034 -2.100 577 HD13 LEU 74 HD13 LEU 74 -1.999 -7.710 -1.518 578 HD21 LEU 74 HD21 LEU 74 -3.497 -5.323 -0.142 579 HD22 LEU 74 HD22 LEU 74 -4.804 -6.403 0.375 580 HD23 LEU 74 HD23 LEU 74 -3.137 -6.974 0.425 581 H ASP 75 H ASP 75 -7.179 -5.357 -4.397 582 HA ASP 75 HA ASP 75 -6.878 -2.531 -4.766 583 HB2 ASP 75 HB2 ASP 75 -6.956 -4.204 -6.591 584 HB3 ASP 75 HB3 ASP 75 -8.653 -4.515 -6.241 585 H ALA 76 H ALA 76 -9.645 -4.479 -3.631 586 HA ALA 76 HA ALA 76 -11.521 -2.313 -3.433 587 HB1 ALA 76 HB1 ALA 76 -12.184 -4.676 -3.432 588 HB2 ALA 76 HB2 ALA 76 -11.327 -4.938 -1.897 589 HB3 ALA 76 HB3 ALA 76 -12.746 -3.872 -1.953 590 H ALA 77 H ALA 77 -9.067 -3.545 -1.109 591 HA ALA 77 HA ALA 77 -9.823 -1.792 1.046 592 HB1 ALA 77 HB1 ALA 77 -8.480 -3.887 1.280 593 HB2 ALA 77 HB2 ALA 77 -7.123 -3.088 0.462 594 HB3 ALA 77 HB3 ALA 77 -7.700 -2.473 2.022 595 H ILE 78 H ILE 78 -7.381 -1.454 -1.578 596 HA ILE 78 HA ILE 78 -6.469 1.186 -0.909 597 HB ILE 78 HB ILE 78 -6.694 -0.280 -3.568 598 HG12 ILE 78 HG12 ILE 78 -5.154 -1.416 -2.098 599 HG13 ILE 78 HG13 ILE 78 -4.264 -0.620 -3.370 600 HG21 ILE 78 HG21 ILE 78 -6.597 2.088 -4.102 601 HG22 ILE 78 HG22 ILE 78 -5.209 2.308 -3.021 602 HG23 ILE 78 HG23 ILE 78 -5.056 1.322 -4.483 603 HD11 ILE 78 HD11 ILE 78 -3.657 1.202 -1.724 604 HD12 ILE 78 HD12 ILE 78 -4.489 0.264 -0.461 605 HD13 ILE 78 HD13 ILE 78 -3.085 -0.415 -1.291 606 H THR 79 H THR 79 -9.062 0.176 -3.121 607 HA THR 79 HA THR 79 -10.020 2.729 -3.850 608 HB THR 79 HB THR 79 -11.626 0.155 -3.598 609 HG1 THR 79 HG1 THR 79 -9.979 -0.136 -4.999 610 HG21 THR 79 HG21 THR 79 -13.174 2.032 -3.876 611 HG22 THR 79 HG22 THR 79 -12.171 2.706 -5.184 612 HG23 THR 79 HG23 THR 79 -13.028 1.163 -5.406 613 H PHE 80 H PHE 80 -11.010 0.769 -0.979 614 HA PHE 80 HA PHE 80 -12.993 2.578 -0.033 615 HB2 PHE 80 HB2 PHE 80 -12.662 0.320 0.843 616 HB3 PHE 80 HB3 PHE 80 -11.094 0.769 1.500 617 HD1 PHE 80 HD2 PHE 80 -14.770 1.266 1.823 618 HD2 PHE 80 HD1 PHE 80 -10.902 2.037 3.569 619 HE1 PHE 80 HE2 PHE 80 -15.865 2.044 3.914 620 HE2 PHE 80 HE1 PHE 80 -12.001 2.810 5.659 621 HZ PHE 80 HZ PHE 80 -14.482 2.822 5.831 622 H TYR 81 H TYR 81 -9.436 2.562 0.596 623 HA TYR 81 HA TYR 81 -9.652 5.036 2.109 624 HB2 TYR 81 HB2 TYR 81 -7.246 3.422 1.279 625 HB3 TYR 81 HB3 TYR 81 -7.186 4.878 2.278 626 HD1 TYR 81 HD2 TYR 81 -9.046 4.855 4.287 627 HD2 TYR 81 HD1 TYR 81 -7.111 1.421 2.529 628 HE1 TYR 81 HE2 TYR 81 -9.443 3.564 6.374 629 HE2 TYR 81 HE1 TYR 81 -7.534 0.125 4.616 630 HH TYR 81 HH TYR 81 -9.171 1.571 7.452 631 H MET 82 H MET 82 -9.642 4.552 -1.230 632 HA MET 82 HA MET 82 -8.498 7.193 -1.916 633 HB2 MET 82 HB2 MET 82 -10.294 5.268 -3.450 634 HB3 MET 82 HB3 MET 82 -9.743 6.802 -4.086 635 HG2 MET 82 HG2 MET 82 -7.759 4.713 -3.154 636 HG3 MET 82 HG3 MET 82 -8.501 4.664 -4.750 637 HE1 MET 82 HE1 MET 82 -5.570 4.532 -4.746 638 HE2 MET 82 HE2 MET 82 -6.508 4.788 -6.233 639 HE3 MET 82 HE3 MET 82 -5.081 5.793 -5.909 640 H GLU 83 H GLU 83 -11.688 5.777 -1.197 641 HA GLU 83 HA GLU 83 -13.140 8.290 -1.649 642 HB2 GLU 83 HB2 GLU 83 -13.975 5.549 -0.622 643 HB3 GLU 83 HB3 GLU 83 -15.090 6.888 -0.877 644 HG2 GLU 83 HG2 GLU 83 -13.388 5.615 -3.067 645 HG3 GLU 83 HG3 GLU 83 -15.067 5.228 -2.733 646 H HIS 84 H HIS 84 -11.872 6.560 1.160 647 HA HIS 84 HA HIS 84 -12.962 8.671 2.980 648 HB2 HIS 84 HB2 HIS 84 -12.564 5.717 3.581 649 HB3 HIS 84 HB3 HIS 84 -13.218 6.933 4.675 650 HD1 HIS 84 HD1 HIS 84 -15.693 8.040 3.749 651 HD2 HIS 84 HD2 HIS 84 -14.287 4.438 2.093 652 HE1 HIS 84 HE1 HIS 84 -17.691 6.961 2.589 653 H GLU 85 H GLU 85 -11.648 9.381 4.685 654 HA GLU 85 HA GLU 85 -8.827 9.362 4.182 655 HB2 GLU 85 HB2 GLU 85 -10.370 10.245 6.647 656 HB3 GLU 85 HB3 GLU 85 -8.655 10.565 6.351 657 HG2 GLU 85 HG2 GLU 85 -9.195 11.855 4.336 658 HG3 GLU 85 HG3 GLU 85 -10.917 11.519 4.536 659 H LEU 86 H LEU 86 -7.145 8.227 5.030 660 HA LEU 86 HA LEU 86 -7.747 5.638 6.201 661 HB2 LEU 86 HB2 LEU 86 -6.058 6.278 4.373 662 HB3 LEU 86 HB3 LEU 86 -5.010 6.849 5.652 663 HG LEU 86 HG LEU 86 -6.095 4.021 5.360 664 HD11 LEU 86 HD11 LEU 86 -4.491 4.625 3.598 665 HD12 LEU 86 HD12 LEU 86 -3.321 5.141 4.836 666 HD13 LEU 86 HD13 LEU 86 -3.792 3.435 4.706 667 HD21 LEU 86 HD21 LEU 86 -4.104 5.157 7.338 668 HD22 LEU 86 HD22 LEU 86 -5.631 4.308 7.691 669 HD23 LEU 86 HD23 LEU 86 -4.282 3.420 7.005 670 H GLU 87 H GLU 87 -5.549 8.239 7.193 671 HA GLU 87 HA GLU 87 -6.311 7.864 10.069 672 HB2 GLU 87 HB2 GLU 87 -4.275 6.485 9.577 673 HB3 GLU 87 HB3 GLU 87 -3.449 7.945 9.032 674 HG2 GLU 87 HG2 GLU 87 -2.703 7.510 11.240 675 HG3 GLU 87 HG3 GLU 87 -3.751 8.913 11.349 676 H TYR 88 H TYR 88 -4.279 9.800 7.838 677 HA TYR 88 HA TYR 88 -5.131 12.328 9.207 678 HB2 TYR 88 HB2 TYR 88 -2.679 11.609 7.598 679 HB3 TYR 88 HB3 TYR 88 -2.978 13.189 8.224 680 HD1 TYR 88 HD2 TYR 88 -3.225 13.454 10.812 681 HD2 TYR 88 HD1 TYR 88 -1.483 10.001 8.894 682 HE1 TYR 88 HE2 TYR 88 -1.957 12.938 12.891 683 HE2 TYR 88 HE1 TYR 88 -0.207 9.494 10.975 684 HH TYR 88 HH TYR 88 -0.490 11.515 13.921 685 H SER 89 H SER 89 -4.727 10.654 6.076 686 HA SER 89 HA SER 89 -6.718 12.433 4.853 687 HB2 SER 89 HB2 SER 89 -4.360 13.477 4.576 688 HB3 SER 89 HB3 SER 89 -4.009 12.109 3.510 689 HG SER 89 HG SER 89 -5.958 14.173 3.230 690 H SER 90 H SER 90 -6.976 11.784 2.433 691 HA SER 90 HA SER 90 -7.395 8.856 2.244 692 HB2 SER 90 HB2 SER 90 -8.093 11.052 0.266 693 HB3 SER 90 HB3 SER 90 -8.639 9.365 0.224 694 HG SER 90 HG SER 90 -10.193 10.817 1.143 695 H LEU 91 H LEU 91 -6.727 7.655 0.375 696 HA LEU 91 HA LEU 91 -4.015 8.035 -0.576 697 HB2 LEU 91 HB2 LEU 91 -6.266 6.333 -1.724 698 HB3 LEU 91 HB3 LEU 91 -4.563 6.192 -2.112 699 HG LEU 91 HG LEU 91 -5.934 5.487 0.495 700 HD11 LEU 91 HD11 LEU 91 -6.093 3.873 -1.423 701 HD12 LEU 91 HD12 LEU 91 -4.324 3.799 -1.458 702 HD13 LEU 91 HD13 LEU 91 -5.213 3.215 -0.039 703 HD21 LEU 91 HD21 LEU 91 -2.968 5.471 -0.115 704 HD22 LEU 91 HD22 LEU 91 -3.794 6.419 1.141 705 HD23 LEU 91 HD23 LEU 91 -3.722 4.657 1.266 706 H LYS 92 H LYS 92 -3.279 8.753 -2.584 707 HA LYS 92 HA LYS 92 -5.252 10.140 -4.380 708 HB2 LYS 92 HB2 LYS 92 -2.560 11.284 -3.498 709 HB3 LYS 92 HB3 LYS 92 -3.731 12.025 -4.595 710 HG2 LYS 92 HG2 LYS 92 -5.450 12.024 -2.778 711 HG3 LYS 92 HG3 LYS 92 -4.237 11.363 -1.674 712 HD2 LYS 92 HD2 LYS 92 -2.841 13.428 -2.047 713 HD3 LYS 92 HD3 LYS 92 -4.159 14.081 -3.027 714 HE2 LYS 92 HE2 LYS 92 -4.347 14.971 -0.775 715 HE3 LYS 92 HE3 LYS 92 -5.708 13.892 -1.093 716 HZ1 LYS 92 HZ1 LYS 92 -4.553 12.156 0.193 717 HZ2 LYS 92 HZ2 LYS 92 -3.279 13.167 0.464 718 HZ3 LYS 92 HZ3 LYS 92 -4.748 13.486 1.106 719 H GLN 93 H GLN 93 -1.970 8.690 -4.227 720 HA GLN 93 HA GLN 93 -2.347 7.814 -7.006 721 HB2 GLN 93 HB2 GLN 93 -0.285 8.829 -7.837 722 HB3 GLN 93 HB3 GLN 93 -1.437 10.051 -7.300 723 HG2 GLN 93 HG2 GLN 93 -0.151 10.216 -5.118 724 HG3 GLN 93 HG3 GLN 93 1.042 9.105 -5.794 725 HE21 GLN 93 HE22 GLN 93 2.153 11.269 -4.992 726 HE22 GLN 93 HE21 GLN 93 2.458 12.415 -6.309 727 HA PRO 94 HA PRO 94 0.288 4.463 -5.518 728 HB2 PRO 94 HB2 PRO 94 0.823 3.179 -7.851 729 HB3 PRO 94 HB3 PRO 94 -0.821 3.183 -7.136 730 HG2 PRO 94 HG2 PRO 94 0.213 4.979 -9.338 731 HG3 PRO 94 HG3 PRO 94 -1.295 4.010 -9.304 732 HD2 PRO 94 HD2 PRO 94 -1.239 6.655 -8.621 733 HD3 PRO 94 HD3 PRO 94 -2.335 5.497 -7.809 734 H LEU 95 H LEU 95 2.515 4.305 -5.201 735 HA LEU 95 HA LEU 95 4.352 6.185 -6.359 736 HB2 LEU 95 HB2 LEU 95 4.727 5.052 -4.178 737 HB3 LEU 95 HB3 LEU 95 4.855 3.503 -5.010 738 HG LEU 95 HG LEU 95 6.888 4.332 -6.218 739 HD11 LEU 95 HD11 LEU 95 6.494 6.780 -6.149 740 HD12 LEU 95 HD12 LEU 95 6.599 6.745 -4.375 741 HD13 LEU 95 HD13 LEU 95 8.023 6.375 -5.371 742 HD21 LEU 95 HD21 LEU 95 7.125 4.634 -3.212 743 HD22 LEU 95 HD22 LEU 95 7.058 3.080 -4.076 744 HD23 LEU 95 HD23 LEU 95 8.407 4.186 -4.357 745 H GLN 96 H GLN 96 5.795 5.994 -8.070 746 HA GLN 96 HA GLN 96 4.859 4.228 -10.210 747 HB2 GLN 96 HB2 GLN 96 6.924 6.457 -10.286 748 HB3 GLN 96 HB3 GLN 96 6.239 5.599 -11.662 749 HG2 GLN 96 HG2 GLN 96 4.910 7.459 -11.696 750 HG3 GLN 96 HG3 GLN 96 3.908 6.408 -10.709 751 HE21 GLN 96 HE22 GLN 96 3.286 7.269 -8.621 752 HE22 GLN 96 HE21 GLN 96 4.002 8.754 -8.018 753 H ARG 97 H ARG 97 6.263 3.066 -11.635 754 HA ARG 97 HA ARG 97 8.663 1.822 -10.341 755 HB2 ARG 97 HB2 ARG 97 6.538 0.438 -12.020 756 HB3 ARG 97 HB3 ARG 97 8.021 -0.296 -11.396 757 HG2 ARG 97 HG2 ARG 97 7.225 0.237 -9.055 758 HG3 ARG 97 HG3 ARG 97 5.673 0.740 -9.742 759 HD2 ARG 97 HD2 ARG 97 6.931 -2.028 -9.959 760 HD3 ARG 97 HD3 ARG 97 5.627 -1.552 -8.873 761 HE ARG 97 HE ARG 97 5.318 -1.364 -11.849 762 HH11 ARG 97 HH11 ARG 97 4.114 -2.719 -8.838 763 HH12 ARG 97 HH12 ARG 97 2.589 -3.137 -9.567 764 HH21 ARG 97 HH21 ARG 97 3.434 -2.167 -12.729 765 HH22 ARG 97 HH22 ARG 97 2.333 -3.079 -11.730 Start of MODEL 9 1 H1 GLY -6 H1 GLY -6 9.882 -22.925 -26.384 2 H2 GLY -6 H2 GLY -6 9.624 -23.128 -24.780 3 H3 GLY -6 H3 GLY -6 8.576 -23.768 -25.865 4 HA2 GLY -6 HA2 GLY -6 7.886 -21.592 -26.603 5 HA3 GLY -6 HA3 GLY -6 7.624 -21.798 -24.862 6 H SER -5 H SER -5 7.752 -19.592 -24.389 7 HA SER -5 HA SER -5 10.114 -17.991 -25.087 8 HB2 SER -5 HB2 SER -5 8.952 -16.189 -24.009 9 HB3 SER -5 HB3 SER -5 7.795 -17.068 -25.017 10 HG SER -5 HG SER -5 6.893 -16.675 -22.980 11 H SER -4 H SER -4 10.992 -16.600 -23.153 12 HA SER -4 HA SER -4 12.236 -18.373 -21.185 13 HB2 SER -4 HB2 SER -4 12.354 -15.352 -21.520 14 HB3 SER -4 HB3 SER -4 13.324 -16.296 -20.380 15 HG SER -4 HG SER -4 13.342 -16.548 -23.228 16 H GLY -3 H GLY -3 9.171 -16.985 -21.203 17 HA2 GLY -3 HA2 GLY -3 7.540 -16.874 -19.605 18 HA3 GLY -3 HA3 GLY -3 8.645 -17.651 -18.471 19 H SER -2 H SER -2 10.026 -14.756 -19.631 20 HA SER -2 HA SER -2 9.805 -13.479 -17.038 21 HB2 SER -2 HB2 SER -2 11.312 -11.792 -18.101 22 HB3 SER -2 HB3 SER -2 11.902 -13.461 -18.195 23 HG SER -2 HG SER -2 12.080 -12.307 -20.203 24 H SER -1 H SER -1 7.970 -13.188 -19.939 25 HA SER -1 HA SER -1 6.483 -10.845 -18.850 26 HB2 SER -1 HB2 SER -1 7.370 -11.164 -21.748 27 HB3 SER -1 HB3 SER -1 6.234 -9.948 -21.147 28 HG SER -1 HG SER -1 8.973 -10.243 -20.409 29 H GLY 0 H GLY 0 4.295 -10.839 -19.253 30 HA2 GLY 0 HA2 GLY 0 2.699 -12.089 -21.068 31 HA3 GLY 0 HA3 GLY 0 3.019 -13.392 -19.918 32 H MET 1 H MET 1 0.455 -12.783 -20.138 33 HA MET 1 HA MET 1 -0.554 -10.631 -18.548 34 HB2 MET 1 HB2 MET 1 -1.808 -13.304 -19.292 35 HB3 MET 1 HB3 MET 1 -2.677 -11.956 -18.545 36 HG2 MET 1 HG2 MET 1 -2.066 -10.498 -20.451 37 HG3 MET 1 HG3 MET 1 -1.286 -11.861 -21.251 38 HE1 MET 1 HE1 MET 1 -2.508 -13.868 -22.362 39 HE2 MET 1 HE2 MET 1 -3.257 -14.338 -20.817 40 HE3 MET 1 HE3 MET 1 -4.258 -14.163 -22.272 41 H ALA 2 H ALA 2 0.538 -13.852 -17.589 42 HA ALA 2 HA ALA 2 -0.448 -13.654 -14.857 43 HB1 ALA 2 HB1 ALA 2 -0.191 -15.809 -16.041 44 HB2 ALA 2 HB2 ALA 2 1.568 -15.545 -16.144 45 HB3 ALA 2 HB3 ALA 2 0.787 -15.761 -14.564 46 H GLU 3 H GLU 3 2.183 -12.172 -16.412 47 HA GLU 3 HA GLU 3 3.864 -12.014 -13.957 48 HB2 GLU 3 HB2 GLU 3 4.485 -11.052 -16.771 49 HB3 GLU 3 HB3 GLU 3 5.595 -11.121 -15.411 50 HG2 GLU 3 HG2 GLU 3 4.360 -13.476 -16.892 51 HG3 GLU 3 HG3 GLU 3 6.037 -12.958 -16.923 52 H ALA 4 H ALA 4 1.329 -10.296 -15.244 53 HA ALA 4 HA ALA 4 2.231 -7.580 -14.796 54 HB1 ALA 4 HB1 ALA 4 0.465 -8.161 -16.415 55 HB2 ALA 4 HB2 ALA 4 -0.568 -8.742 -15.089 56 HB3 ALA 4 HB3 ALA 4 -0.132 -7.023 -15.191 57 H ALA 5 H ALA 5 1.445 -6.112 -13.202 58 HA ALA 5 HA ALA 5 0.336 -7.163 -10.673 59 HB1 ALA 5 HB1 ALA 5 2.788 -7.408 -10.437 60 HB2 ALA 5 HB2 ALA 5 3.006 -5.694 -10.854 61 HB3 ALA 5 HB3 ALA 5 2.166 -6.148 -9.356 62 H ALA 6 H ALA 6 -0.259 -5.421 -9.163 63 HA ALA 6 HA ALA 6 -1.693 -3.283 -10.422 64 HB1 ALA 6 HB1 ALA 6 -2.405 -4.409 -8.348 65 HB2 ALA 6 HB2 ALA 6 -0.994 -3.742 -7.494 66 HB3 ALA 6 HB3 ALA 6 -2.249 -2.661 -8.127 67 HA PRO 7 HA PRO 7 1.386 -0.162 -10.790 68 HB2 PRO 7 HB2 PRO 7 0.014 2.195 -10.394 69 HB3 PRO 7 HB3 PRO 7 -0.143 1.171 -11.852 70 HG2 PRO 7 HG2 PRO 7 -1.936 1.206 -9.408 71 HG3 PRO 7 HG3 PRO 7 -2.417 1.267 -11.133 72 HD2 PRO 7 HD2 PRO 7 -2.458 -1.060 -9.759 73 HD3 PRO 7 HD3 PRO 7 -1.890 -1.025 -11.455 74 H TRP 8 H TRP 8 -0.463 -0.212 -7.777 75 HA TRP 8 HA TRP 8 1.577 1.294 -6.276 76 HB2 TRP 8 HB2 TRP 8 -0.126 0.614 -4.384 77 HB3 TRP 8 HB3 TRP 8 -0.462 1.894 -5.512 78 HD1 TRP 8 HD1 TRP 8 -2.518 1.675 -7.077 79 HE1 TRP 8 HE1 TRP 8 -4.400 -0.049 -7.396 80 HE3 TRP 8 HE3 TRP 8 -0.665 -2.098 -4.174 81 HZ2 TRP 8 HZ2 TRP 8 -5.073 -2.664 -6.415 82 HZ3 TRP 8 HZ3 TRP 8 -1.977 -4.179 -3.825 83 HH2 TRP 8 HH2 TRP 8 -4.164 -4.488 -4.973 84 H TYR 9 H TYR 9 1.357 -2.021 -7.156 85 HA TYR 9 HA TYR 9 2.337 -3.000 -4.539 86 HB2 TYR 9 HB2 TYR 9 0.625 -4.234 -5.758 87 HB3 TYR 9 HB3 TYR 9 1.727 -4.466 -7.114 88 HD1 TYR 9 HD1 TYR 9 1.233 -5.181 -3.470 89 HD2 TYR 9 HD2 TYR 9 3.318 -6.266 -7.089 90 HE1 TYR 9 HE1 TYR 9 2.112 -7.220 -2.349 91 HE2 TYR 9 HE2 TYR 9 4.180 -8.320 -5.969 92 HH TYR 9 HH TYR 9 3.417 -9.100 -2.563 93 H HIS 10 H HIS 10 4.371 -2.945 -3.999 94 HA HIS 10 HA HIS 10 6.534 -2.952 -6.060 95 HB2 HIS 10 HB2 HIS 10 6.298 -1.766 -3.285 96 HB3 HIS 10 HB3 HIS 10 7.865 -2.040 -4.037 97 HD1 HIS 10 HD1 HIS 10 8.753 -0.042 -5.375 98 HD2 HIS 10 HD2 HIS 10 4.559 -0.232 -5.151 99 HE1 HIS 10 HE1 HIS 10 7.878 1.996 -6.641 100 H GLY 11 H GLY 11 5.099 -5.261 -4.161 101 HA2 GLY 11 HA2 GLY 11 5.763 -7.412 -3.629 102 HA3 GLY 11 HA3 GLY 11 7.145 -7.148 -4.666 103 HA PRO 12 HA PRO 12 8.876 -7.868 -0.522 104 HB2 PRO 12 HB2 PRO 12 11.308 -8.875 -1.163 105 HB3 PRO 12 HB3 PRO 12 9.792 -9.741 -1.530 106 HG2 PRO 12 HG2 PRO 12 11.368 -7.929 -3.397 107 HG3 PRO 12 HG3 PRO 12 10.834 -9.616 -3.696 108 HD2 PRO 12 HD2 PRO 12 9.382 -7.467 -4.544 109 HD3 PRO 12 HD3 PRO 12 8.588 -8.959 -3.962 110 H LEU 13 H LEU 13 8.675 -5.205 -1.168 111 HA LEU 13 HA LEU 13 11.236 -3.833 -0.844 112 HB2 LEU 13 HB2 LEU 13 9.027 -3.002 -2.017 113 HB3 LEU 13 HB3 LEU 13 8.487 -2.652 -0.380 114 HG LEU 13 HG LEU 13 10.533 -1.179 -0.097 115 HD11 LEU 13 HD11 LEU 13 11.975 -2.017 -1.892 116 HD12 LEU 13 HD12 LEU 13 10.722 -1.681 -3.105 117 HD13 LEU 13 HD13 LEU 13 11.531 -0.349 -2.271 118 HD21 LEU 13 HD21 LEU 13 8.620 -0.440 -2.348 119 HD22 LEU 13 HD22 LEU 13 8.276 -0.289 -0.613 120 HD23 LEU 13 HD23 LEU 13 9.562 0.683 -1.346 121 H SER 14 H SER 14 12.049 -2.940 1.052 122 HA SER 14 HA SER 14 10.881 -3.825 3.654 123 HB2 SER 14 HB2 SER 14 13.597 -2.651 2.957 124 HB3 SER 14 HB3 SER 14 13.071 -3.132 4.580 125 HG SER 14 HG SER 14 14.276 -4.782 3.497 126 H ARG 15 H ARG 15 10.863 -2.309 5.466 127 HA ARG 15 HA ARG 15 9.401 0.068 5.059 128 HB2 ARG 15 HB2 ARG 15 11.148 -0.956 7.319 129 HB3 ARG 15 HB3 ARG 15 10.641 0.726 7.329 130 HG2 ARG 15 HG2 ARG 15 8.231 -0.065 7.043 131 HG3 ARG 15 HG3 ARG 15 8.845 -1.710 7.312 132 HD2 ARG 15 HD2 ARG 15 8.037 -0.798 9.421 133 HD3 ARG 15 HD3 ARG 15 9.812 -0.937 9.488 134 HE ARG 15 HE ARG 15 9.455 1.652 8.618 135 HH11 ARG 15 HH11 ARG 15 8.144 0.069 11.473 136 HH12 ARG 15 HH12 ARG 15 8.146 1.568 12.364 137 HH21 ARG 15 HH21 ARG 15 9.511 3.354 9.723 138 HH22 ARG 15 HH22 ARG 15 8.906 3.456 11.380 139 H THR 16 H THR 16 12.929 -0.044 5.724 140 HA THR 16 HA THR 16 13.366 2.680 5.538 141 HB THR 16 HB THR 16 15.402 0.666 4.528 142 HG1 THR 16 HG1 THR 16 15.907 0.351 6.706 143 HG21 THR 16 HG21 THR 16 16.132 3.010 4.453 144 HG22 THR 16 HG22 THR 16 15.587 3.264 6.127 145 HG23 THR 16 HG23 THR 16 16.961 2.186 5.778 146 H ASP 17 H ASP 17 13.153 0.439 2.786 147 HA ASP 17 HA ASP 17 13.936 2.400 0.766 148 HB2 ASP 17 HB2 ASP 17 12.603 -0.331 0.666 149 HB3 ASP 17 HB3 ASP 17 12.939 0.625 -0.766 150 H ALA 18 H ALA 18 10.804 1.128 1.996 151 HA ALA 18 HA ALA 18 9.112 2.663 0.272 152 HB1 ALA 18 HB1 ALA 18 8.350 0.705 1.583 153 HB2 ALA 18 HB2 ALA 18 8.642 1.584 3.096 154 HB3 ALA 18 HB3 ALA 18 7.383 2.141 1.986 155 H GLU 19 H GLU 19 10.444 3.373 3.517 156 HA GLU 19 HA GLU 19 9.236 5.951 3.820 157 HB2 GLU 19 HB2 GLU 19 11.676 4.695 5.134 158 HB3 GLU 19 HB3 GLU 19 11.002 6.269 5.579 159 HG2 GLU 19 HG2 GLU 19 8.811 5.185 6.075 160 HG3 GLU 19 HG3 GLU 19 9.509 3.618 5.701 161 H ASN 20 H ASN 20 12.511 5.047 2.567 162 HA ASN 20 HA ASN 20 13.290 7.774 2.084 163 HB2 ASN 20 HB2 ASN 20 14.260 5.058 1.167 164 HB3 ASN 20 HB3 ASN 20 14.793 6.471 0.278 165 HD21 ASN 20 HD22 ASN 20 14.963 4.870 3.402 166 HD22 ASN 20 HD21 ASN 20 16.257 5.902 4.028 167 H SER 21 H SER 21 11.284 5.591 0.165 168 HA SER 21 HA SER 21 11.285 7.307 -2.200 169 HB2 SER 21 HB2 SER 21 9.337 5.110 -1.393 170 HB3 SER 21 HB3 SER 21 9.468 5.887 -2.980 171 HG SER 21 HG SER 21 11.374 4.236 -1.659 172 H LEU 22 H LEU 22 8.835 6.667 0.384 173 HA LEU 22 HA LEU 22 7.049 8.676 -0.657 174 HB2 LEU 22 HB2 LEU 22 7.096 6.767 1.621 175 HB3 LEU 22 HB3 LEU 22 6.084 8.172 1.817 176 HG LEU 22 HG LEU 22 4.776 7.660 -0.119 177 HD11 LEU 22 HD11 LEU 22 6.351 6.676 -1.689 178 HD12 LEU 22 HD12 LEU 22 6.657 5.314 -0.584 179 HD13 LEU 22 HD13 LEU 22 5.071 5.501 -1.366 180 HD21 LEU 22 HD21 LEU 22 5.266 5.134 1.521 181 HD22 LEU 22 HD22 LEU 22 4.384 6.564 2.094 182 HD23 LEU 22 HD23 LEU 22 3.756 5.629 0.719 183 H LEU 23 H LEU 23 9.637 8.931 1.751 184 HA LEU 23 HA LEU 23 8.775 11.481 2.785 185 HB2 LEU 23 HB2 LEU 23 10.343 9.936 3.918 186 HB3 LEU 23 HB3 LEU 23 11.530 10.194 2.636 187 HG LEU 23 HG LEU 23 11.754 12.566 3.312 188 HD11 LEU 23 HD11 LEU 23 9.524 13.012 4.265 189 HD12 LEU 23 HD12 LEU 23 9.810 11.813 5.548 190 HD13 LEU 23 HD13 LEU 23 10.767 13.310 5.481 191 HD21 LEU 23 HD21 LEU 23 12.046 10.598 5.617 192 HD22 LEU 23 HD22 LEU 23 13.210 10.840 4.296 193 HD23 LEU 23 HD23 LEU 23 12.894 12.151 5.444 194 H ARG 24 H ARG 24 10.474 10.553 -0.141 195 HA ARG 24 HA ARG 24 11.191 13.346 -0.854 196 HB2 ARG 24 HB2 ARG 24 11.581 10.665 -2.249 197 HB3 ARG 24 HB3 ARG 24 12.041 12.221 -2.956 198 HG2 ARG 24 HG2 ARG 24 13.571 12.682 -1.101 199 HG3 ARG 24 HG3 ARG 24 13.103 11.178 -0.292 200 HD2 ARG 24 HD2 ARG 24 13.992 9.855 -2.176 201 HD3 ARG 24 HD3 ARG 24 14.372 11.337 -3.056 202 HE ARG 24 HE ARG 24 16.278 11.635 -1.794 203 HH11 ARG 24 HH11 ARG 24 14.378 9.194 -0.130 204 HH12 ARG 24 HH12 ARG 24 15.705 8.802 0.955 205 HH21 ARG 24 HH21 ARG 24 17.890 11.074 -0.358 206 HH22 ARG 24 HH22 ARG 24 17.593 9.839 0.833 207 H MET 25 H MET 25 8.646 11.057 -1.519 208 HA MET 25 HA MET 25 7.461 12.578 -3.716 209 HB2 MET 25 HB2 MET 25 6.526 10.243 -2.014 210 HB3 MET 25 HB3 MET 25 5.515 10.952 -3.249 211 HG2 MET 25 HG2 MET 25 8.267 9.835 -3.741 212 HG3 MET 25 HG3 MET 25 6.787 8.950 -4.025 213 HE1 MET 25 HE1 MET 25 5.367 9.083 -6.192 214 HE2 MET 25 HE2 MET 25 4.773 10.615 -5.512 215 HE3 MET 25 HE3 MET 25 5.287 10.536 -7.212 216 HA PRO 26 HA PRO 26 4.785 15.258 -1.304 217 HB2 PRO 26 HB2 PRO 26 2.544 15.460 -2.845 218 HB3 PRO 26 HB3 PRO 26 4.118 16.175 -3.325 219 HG2 PRO 26 HG2 PRO 26 2.941 13.527 -4.162 220 HG3 PRO 26 HG3 PRO 26 3.629 14.802 -5.222 221 HD2 PRO 26 HD2 PRO 26 5.070 12.644 -4.440 222 HD3 PRO 26 HD3 PRO 26 5.851 14.233 -4.588 223 H GLU 27 H GLU 27 2.722 15.313 -0.165 224 HA GLU 27 HA GLU 27 1.982 12.932 1.204 225 HB2 GLU 27 HB2 GLU 27 1.779 15.208 2.090 226 HB3 GLU 27 HB3 GLU 27 0.543 15.598 0.891 227 HG2 GLU 27 HG2 GLU 27 -1.040 14.078 1.918 228 HG3 GLU 27 HG3 GLU 27 0.218 13.387 2.943 229 H GLY 28 H GLY 28 0.341 11.526 1.098 230 HA2 GLY 28 HA2 GLY 28 -1.554 10.449 0.288 231 HA3 GLY 28 HA3 GLY 28 -1.707 11.660 -0.984 232 H THR 29 H THR 29 1.467 10.552 -1.027 233 HA THR 29 HA THR 29 1.030 8.721 -3.290 234 HB THR 29 HB THR 29 3.700 9.355 -1.939 235 HG1 THR 29 HG1 THR 29 3.033 11.259 -2.747 236 HG21 THR 29 HG21 THR 29 3.658 7.321 -3.354 237 HG22 THR 29 HG22 THR 29 2.963 8.266 -4.691 238 HG23 THR 29 HG23 THR 29 4.592 8.619 -4.078 239 H PHE 30 H PHE 30 0.880 6.502 -3.099 240 HA PHE 30 HA PHE 30 1.775 5.277 -0.543 241 HB2 PHE 30 HB2 PHE 30 -0.279 4.101 -0.317 242 HB3 PHE 30 HB3 PHE 30 -0.639 5.803 -0.493 243 HD1 PHE 30 HD1 PHE 30 -1.752 6.649 -2.562 244 HD2 PHE 30 HD2 PHE 30 -0.860 2.479 -2.029 245 HE1 PHE 30 HE1 PHE 30 -3.218 6.086 -4.496 246 HE2 PHE 30 HE2 PHE 30 -2.384 1.910 -3.908 247 HZ PHE 30 HZ PHE 30 -3.484 3.712 -5.203 248 H LEU 31 H LEU 31 1.884 2.980 -0.517 249 HA LEU 31 HA LEU 31 2.123 1.544 -3.057 250 HB2 LEU 31 HB2 LEU 31 4.410 0.840 -2.793 251 HB3 LEU 31 HB3 LEU 31 4.331 2.583 -2.804 252 HG LEU 31 HG LEU 31 4.445 2.427 -0.203 253 HD11 LEU 31 HD11 LEU 31 4.204 -0.012 0.173 254 HD12 LEU 31 HD12 LEU 31 5.538 -0.333 -0.956 255 HD13 LEU 31 HD13 LEU 31 5.827 0.484 0.595 256 HD21 LEU 31 HD21 LEU 31 6.808 1.623 -1.939 257 HD22 LEU 31 HD22 LEU 31 6.211 3.269 -1.641 258 HD23 LEU 31 HD23 LEU 31 6.895 2.345 -0.314 259 H VAL 32 H VAL 32 2.343 -0.767 -2.754 260 HA VAL 32 HA VAL 32 1.751 -1.746 -0.008 261 HB VAL 32 HB VAL 32 0.574 -2.940 -2.525 262 HG11 VAL 32 HG11 VAL 32 0.927 -4.653 -0.796 263 HG12 VAL 32 HG12 VAL 32 0.161 -3.608 0.425 264 HG13 VAL 32 HG13 VAL 32 -0.790 -4.272 -0.915 265 HG21 VAL 32 HG21 VAL 32 -0.705 -1.290 -0.296 266 HG22 VAL 32 HG22 VAL 32 -0.525 -0.803 -1.998 267 HG23 VAL 32 HG23 VAL 32 -1.596 -2.146 -1.579 268 H ARG 33 H ARG 33 2.929 -3.417 0.686 269 HA ARG 33 HA ARG 33 4.835 -4.765 -1.180 270 HB2 ARG 33 HB2 ARG 33 6.692 -4.317 0.336 271 HB3 ARG 33 HB3 ARG 33 5.935 -2.792 -0.130 272 HG2 ARG 33 HG2 ARG 33 4.653 -2.858 2.072 273 HG3 ARG 33 HG3 ARG 33 5.599 -4.287 2.504 274 HD2 ARG 33 HD2 ARG 33 7.676 -2.750 2.083 275 HD3 ARG 33 HD3 ARG 33 6.524 -1.427 2.122 276 HE ARG 33 HE ARG 33 6.219 -1.729 4.418 277 HH11 ARG 33 HH11 ARG 33 8.226 -4.418 3.266 278 HH12 ARG 33 HH12 ARG 33 8.373 -5.051 4.894 279 HH21 ARG 33 HH21 ARG 33 6.569 -2.659 6.453 280 HH22 ARG 33 HH22 ARG 33 7.614 -4.062 6.563 281 H ASP 34 H ASP 34 5.832 -6.688 -0.297 282 HA ASP 34 HA ASP 34 4.100 -8.477 1.196 283 HB2 ASP 34 HB2 ASP 34 5.712 -9.256 -0.474 284 HB3 ASP 34 HB3 ASP 34 7.048 -8.602 0.475 285 H SER 35 H SER 35 4.035 -8.941 3.376 286 HA SER 35 HA SER 35 5.013 -6.817 5.047 287 HB2 SER 35 HB2 SER 35 2.768 -7.833 5.272 288 HB3 SER 35 HB3 SER 35 3.522 -9.321 5.861 289 HG SER 35 HG SER 35 3.536 -6.718 7.040 290 H THR 36 H THR 36 6.549 -6.633 6.457 291 HA THR 36 HA THR 36 8.833 -8.271 6.498 292 HB THR 36 HB THR 36 7.920 -6.253 8.585 293 HG1 THR 36 HG1 THR 36 9.760 -5.540 6.701 294 HG21 THR 36 HG21 THR 36 9.895 -7.501 9.356 295 HG22 THR 36 HG22 THR 36 10.709 -7.224 7.801 296 HG23 THR 36 HG23 THR 36 10.356 -5.861 8.891 297 H SER 37 H SER 37 9.260 -10.136 7.453 298 HA SER 37 HA SER 37 9.065 -12.044 8.631 299 HB2 SER 37 HB2 SER 37 8.534 -10.183 10.964 300 HB3 SER 37 HB3 SER 37 9.120 -11.854 11.056 301 HG SER 37 HG SER 37 10.840 -10.346 11.163 302 H SER 38 H SER 38 6.465 -11.070 7.468 303 HA SER 38 HA SER 38 4.580 -12.770 9.074 304 HB2 SER 38 HB2 SER 38 3.974 -10.095 7.795 305 HB3 SER 38 HB3 SER 38 2.814 -11.148 8.618 306 HG SER 38 HG SER 38 5.098 -9.872 9.749 307 HA PRO 39 HA PRO 39 5.027 -14.196 4.702 308 HB2 PRO 39 HB2 PRO 39 4.138 -16.767 6.016 309 HB3 PRO 39 HB3 PRO 39 5.365 -16.517 4.735 310 HG2 PRO 39 HG2 PRO 39 6.149 -16.889 7.295 311 HG3 PRO 39 HG3 PRO 39 6.922 -15.599 6.314 312 HD2 PRO 39 HD2 PRO 39 4.691 -15.326 8.352 313 HD3 PRO 39 HD3 PRO 39 6.179 -14.352 8.164 314 H GLY 40 H GLY 40 3.509 -14.120 3.153 315 HA2 GLY 40 HA2 GLY 40 1.496 -14.307 2.037 316 HA3 GLY 40 HA3 GLY 40 0.799 -15.141 3.424 317 H ASP 41 H ASP 41 2.008 -12.287 4.669 318 HA ASP 41 HA ASP 41 -0.571 -10.811 4.318 319 HB2 ASP 41 HB2 ASP 41 1.552 -10.485 6.458 320 HB3 ASP 41 HB3 ASP 41 0.030 -9.612 6.351 321 H TYR 42 H TYR 42 -0.402 -8.435 4.238 322 HA TYR 42 HA TYR 42 1.998 -7.458 2.745 323 HB2 TYR 42 HB2 TYR 42 -0.902 -6.836 2.091 324 HB3 TYR 42 HB3 TYR 42 0.515 -6.256 1.237 325 HD1 TYR 42 HD1 TYR 42 2.049 -8.002 0.141 326 HD2 TYR 42 HD2 TYR 42 -1.921 -8.897 1.550 327 HE1 TYR 42 HE1 TYR 42 2.008 -10.086 -1.266 328 HE2 TYR 42 HE2 TYR 42 -1.967 -10.959 0.153 329 HH TYR 42 HH TYR 42 -0.824 -12.275 -1.336 330 H VAL 43 H VAL 43 2.052 -5.032 2.608 331 HA VAL 43 HA VAL 43 0.819 -3.639 4.946 332 HB VAL 43 HB VAL 43 3.747 -3.352 4.174 333 HG11 VAL 43 HG11 VAL 43 2.817 -1.255 5.090 334 HG12 VAL 43 HG12 VAL 43 2.157 -2.149 6.480 335 HG13 VAL 43 HG13 VAL 43 3.910 -2.011 6.249 336 HG21 VAL 43 HG21 VAL 43 2.492 -4.684 6.597 337 HG22 VAL 43 HG22 VAL 43 3.382 -5.474 5.280 338 HG23 VAL 43 HG23 VAL 43 4.234 -4.371 6.369 339 H LEU 44 H LEU 44 -0.036 -1.757 4.439 340 HA LEU 44 HA LEU 44 0.423 -0.477 1.791 341 HB2 LEU 44 HB2 LEU 44 -1.903 -0.855 2.449 342 HB3 LEU 44 HB3 LEU 44 -1.633 -0.093 3.997 343 HG LEU 44 HG LEU 44 -1.348 2.095 2.922 344 HD11 LEU 44 HD11 LEU 44 -0.417 1.596 0.765 345 HD12 LEU 44 HD12 LEU 44 -1.844 0.638 0.312 346 HD13 LEU 44 HD13 LEU 44 -1.968 2.395 0.525 347 HD21 LEU 44 HD21 LEU 44 -3.821 0.606 1.919 348 HD22 LEU 44 HD22 LEU 44 -3.610 1.225 3.568 349 HD23 LEU 44 HD23 LEU 44 -3.688 2.351 2.204 350 H SER 45 H SER 45 1.831 1.190 1.731 351 HA SER 45 HA SER 45 2.426 2.668 4.257 352 HB2 SER 45 HB2 SER 45 4.343 2.311 1.947 353 HB3 SER 45 HB3 SER 45 4.648 3.143 3.479 354 HG SER 45 HG SER 45 4.074 0.371 3.103 355 H CYS 46 H CYS 46 2.278 4.919 4.183 356 HA CYS 46 HA CYS 46 1.635 6.203 1.578 357 HB2 CYS 46 HB2 CYS 46 -0.479 5.326 2.652 358 HB3 CYS 46 HB3 CYS 46 -0.198 6.462 3.986 359 HG CYS 46 HG CYS 46 -0.201 8.644 2.531 360 H SER 47 H SER 47 2.328 8.324 1.393 361 HA SER 47 HA SER 47 3.909 9.494 3.544 362 HB2 SER 47 HB2 SER 47 4.124 11.352 1.898 363 HB3 SER 47 HB3 SER 47 4.716 9.793 1.320 364 HG SER 47 HG SER 47 3.339 11.117 -0.137 365 H GLU 48 H GLU 48 2.875 10.324 5.202 366 HA GLU 48 HA GLU 48 0.633 12.247 4.768 367 HB2 GLU 48 HB2 GLU 48 0.457 9.743 6.482 368 HB3 GLU 48 HB3 GLU 48 -0.535 11.158 6.789 369 HG2 GLU 48 HG2 GLU 48 -0.563 9.462 4.277 370 HG3 GLU 48 HG3 GLU 48 -1.817 9.575 5.504 371 H ASN 49 H ASN 49 0.448 13.909 6.117 372 HA ASN 49 HA ASN 49 0.879 15.396 7.708 373 HB2 ASN 49 HB2 ASN 49 -0.341 13.557 8.934 374 HB3 ASN 49 HB3 ASN 49 1.216 13.012 9.557 375 HD21 ASN 49 HD22 ASN 49 0.027 13.424 11.642 376 HD22 ASN 49 HD21 ASN 49 0.080 15.063 12.283 377 H GLY 50 H GLY 50 3.067 14.991 6.134 378 HA2 GLY 50 HA2 GLY 50 5.251 15.716 5.985 379 HA3 GLY 50 HA3 GLY 50 5.201 16.131 7.700 380 H LYS 51 H LYS 51 4.407 12.855 7.227 381 HA LYS 51 HA LYS 51 7.190 11.818 7.444 382 HB2 LYS 51 HB2 LYS 51 6.564 10.433 9.367 383 HB3 LYS 51 HB3 LYS 51 6.383 12.139 9.736 384 HG2 LYS 51 HG2 LYS 51 3.953 12.000 9.461 385 HG3 LYS 51 HG3 LYS 51 4.074 10.297 8.969 386 HD2 LYS 51 HD2 LYS 51 4.936 9.711 11.206 387 HD3 LYS 51 HD3 LYS 51 4.870 11.427 11.686 388 HE2 LYS 51 HE2 LYS 51 2.417 11.443 11.226 389 HE3 LYS 51 HE3 LYS 51 2.488 9.732 10.792 390 HZ1 LYS 51 HZ1 LYS 51 3.225 9.266 13.081 391 HZ2 LYS 51 HZ2 LYS 51 3.124 10.849 13.475 392 HZ3 LYS 51 HZ3 LYS 51 1.771 10.013 13.086 393 H VAL 52 H VAL 52 6.734 9.210 7.734 394 HA VAL 52 HA VAL 52 4.886 8.375 5.526 395 HB VAL 52 HB VAL 52 7.550 7.086 6.191 396 HG11 VAL 52 HG11 VAL 52 5.949 5.421 5.397 397 HG12 VAL 52 HG12 VAL 52 5.415 6.500 4.093 398 HG13 VAL 52 HG13 VAL 52 7.041 5.793 4.067 399 HG21 VAL 52 HG21 VAL 52 6.664 8.887 3.899 400 HG22 VAL 52 HG22 VAL 52 7.990 9.163 5.042 401 HG23 VAL 52 HG23 VAL 52 8.128 7.881 3.843 402 H THR 53 H THR 53 3.556 6.750 5.914 403 HA THR 53 HA THR 53 3.419 5.642 8.693 404 HB THR 53 HB THR 53 1.003 5.837 8.563 405 HG1 THR 53 HG1 THR 53 1.504 7.149 6.090 406 HG21 THR 53 HG21 THR 53 2.246 7.729 9.537 407 HG22 THR 53 HG22 THR 53 2.336 8.512 7.942 408 HG23 THR 53 HG23 THR 53 0.767 8.268 8.717 409 H HIS 54 H HIS 54 2.354 3.582 8.924 410 HA HIS 54 HA HIS 54 2.293 1.872 6.481 411 HB2 HIS 54 HB2 HIS 54 3.770 1.151 9.034 412 HB3 HIS 54 HB3 HIS 54 3.674 0.207 7.555 413 HD1 HIS 54 HD1 HIS 54 5.053 1.420 5.355 414 HD2 HIS 54 HD2 HIS 54 5.779 2.796 9.272 415 HE1 HIS 54 HE1 HIS 54 7.289 2.630 5.291 416 H TYR 55 H TYR 55 0.793 0.300 6.500 417 HA TYR 55 HA TYR 55 -0.789 -0.300 8.968 418 HB2 TYR 55 HB2 TYR 55 -1.973 0.291 6.229 419 HB3 TYR 55 HB3 TYR 55 -2.821 0.076 7.756 420 HD1 TYR 55 HD1 TYR 55 -2.697 1.879 9.532 421 HD2 TYR 55 HD2 TYR 55 -1.029 2.405 5.587 422 HE1 TYR 55 HE1 TYR 55 -2.577 4.347 9.902 423 HE2 TYR 55 HE2 TYR 55 -0.892 4.857 5.968 424 HH TYR 55 HH TYR 55 -1.145 6.533 7.459 425 H LYS 56 H LYS 56 -1.050 -2.500 9.237 426 HA LYS 56 HA LYS 56 -0.091 -4.292 7.130 427 HB2 LYS 56 HB2 LYS 56 -1.238 -4.976 9.859 428 HB3 LYS 56 HB3 LYS 56 -0.513 -6.110 8.713 429 HG2 LYS 56 HG2 LYS 56 1.615 -4.667 8.809 430 HG3 LYS 56 HG3 LYS 56 0.858 -3.804 10.148 431 HD2 LYS 56 HD2 LYS 56 2.277 -5.406 11.140 432 HD3 LYS 56 HD3 LYS 56 0.642 -6.049 11.346 433 HE2 LYS 56 HE2 LYS 56 0.998 -7.567 9.402 434 HE3 LYS 56 HE3 LYS 56 2.587 -6.850 9.128 435 HZ1 LYS 56 HZ1 LYS 56 3.240 -7.665 11.351 436 HZ2 LYS 56 HZ2 LYS 56 1.800 -8.427 11.514 437 HZ3 LYS 56 HZ3 LYS 56 2.860 -8.885 10.348 438 H LEU 57 H LEU 57 -1.099 -5.573 5.846 439 HA LEU 57 HA LEU 57 -4.094 -5.686 5.712 440 HB2 LEU 57 HB2 LEU 57 -1.897 -5.766 3.621 441 HB3 LEU 57 HB3 LEU 57 -3.544 -6.247 3.250 442 HG LEU 57 HG LEU 57 -3.035 -3.527 4.448 443 HD11 LEU 57 HD11 LEU 57 -1.427 -3.502 2.692 444 HD12 LEU 57 HD12 LEU 57 -2.471 -4.411 1.599 445 HD13 LEU 57 HD13 LEU 57 -2.871 -2.736 1.989 446 HD21 LEU 57 HD21 LEU 57 -4.972 -4.472 2.302 447 HD22 LEU 57 HD22 LEU 57 -5.371 -4.402 4.033 448 HD23 LEU 57 HD23 LEU 57 -4.996 -2.910 3.148 449 H SER 58 H SER 58 -4.373 -7.473 6.951 450 HA SER 58 HA SER 58 -2.568 -9.801 6.745 451 HB2 SER 58 HB2 SER 58 -4.876 -9.239 8.629 452 HB3 SER 58 HB3 SER 58 -3.786 -10.637 8.712 453 HG SER 58 HG SER 58 -3.123 -8.925 10.107 454 H ALA 59 H ALA 59 -3.139 -11.874 6.125 455 HA ALA 59 HA ALA 59 -5.551 -12.177 4.476 456 HB1 ALA 59 HB1 ALA 59 -3.428 -13.146 3.754 457 HB2 ALA 59 HB2 ALA 59 -3.357 -14.143 5.225 458 HB3 ALA 59 HB3 ALA 59 -4.640 -14.415 4.026 459 H GLU 60 H GLU 60 -7.470 -12.771 5.209 460 HA GLU 60 HA GLU 60 -7.752 -14.622 7.544 461 HB2 GLU 60 HB2 GLU 60 -8.058 -12.277 8.286 462 HB3 GLU 60 HB3 GLU 60 -9.344 -12.060 7.093 463 HG2 GLU 60 HG2 GLU 60 -10.735 -13.720 8.210 464 HG3 GLU 60 HG3 GLU 60 -9.405 -14.192 9.269 465 H GLU 61 H GLU 61 -8.615 -16.416 6.694 466 HA GLU 61 HA GLU 61 -9.625 -17.850 5.286 467 HB2 GLU 61 HB2 GLU 61 -11.514 -16.737 6.641 468 HB3 GLU 61 HB3 GLU 61 -11.997 -15.998 5.110 469 HG2 GLU 61 HG2 GLU 61 -12.199 -18.299 4.114 470 HG3 GLU 61 HG3 GLU 61 -11.661 -18.994 5.640 471 H GLY 62 H GLY 62 -7.919 -15.978 4.065 472 HA2 GLY 62 HA2 GLY 62 -7.045 -15.715 1.911 473 HA3 GLY 62 HA3 GLY 62 -8.528 -16.372 1.217 474 H LYS 63 H LYS 63 -9.498 -13.954 3.299 475 HA LYS 63 HA LYS 63 -9.572 -11.835 1.187 476 HB2 LYS 63 HB2 LYS 63 -11.375 -12.341 3.594 477 HB3 LYS 63 HB3 LYS 63 -11.491 -10.945 2.526 478 HG2 LYS 63 HG2 LYS 63 -11.709 -12.598 0.575 479 HG3 LYS 63 HG3 LYS 63 -11.916 -13.868 1.796 480 HD2 LYS 63 HD2 LYS 63 -13.851 -12.516 2.735 481 HD3 LYS 63 HD3 LYS 63 -13.704 -11.436 1.346 482 HE2 LYS 63 HE2 LYS 63 -14.375 -14.410 1.331 483 HE3 LYS 63 HE3 LYS 63 -15.469 -13.077 0.964 484 HZ1 LYS 63 HZ1 LYS 63 -14.062 -12.598 -1.030 485 HZ2 LYS 63 HZ2 LYS 63 -13.127 -13.888 -0.677 486 HZ3 LYS 63 HZ3 LYS 63 -14.693 -14.098 -1.068 487 H ILE 64 H ILE 64 -9.635 -9.565 2.150 488 HA ILE 64 HA ILE 64 -7.040 -9.291 3.587 489 HB ILE 64 HB ILE 64 -8.582 -7.501 1.692 490 HG12 ILE 64 HG12 ILE 64 -7.385 -9.312 0.577 491 HG13 ILE 64 HG13 ILE 64 -6.671 -7.754 0.218 492 HG21 ILE 64 HG21 ILE 64 -7.581 -5.985 3.289 493 HG22 ILE 64 HG22 ILE 64 -6.025 -6.831 3.199 494 HG23 ILE 64 HG23 ILE 64 -6.667 -5.937 1.795 495 HD11 ILE 64 HD11 ILE 64 -4.820 -8.224 1.837 496 HD12 ILE 64 HD12 ILE 64 -5.519 -9.837 2.123 497 HD13 ILE 64 HD13 ILE 64 -4.920 -9.398 0.519 498 H ARG 65 H ARG 65 -7.206 -9.078 5.664 499 HA ARG 65 HA ARG 65 -9.322 -7.399 6.925 500 HB2 ARG 65 HB2 ARG 65 -8.912 -9.741 7.754 501 HB3 ARG 65 HB3 ARG 65 -7.251 -9.278 8.131 502 HG2 ARG 65 HG2 ARG 65 -8.402 -9.238 10.167 503 HG3 ARG 65 HG3 ARG 65 -8.093 -7.563 9.716 504 HD2 ARG 65 HD2 ARG 65 -10.503 -7.587 8.730 505 HD3 ARG 65 HD3 ARG 65 -10.703 -9.115 9.581 506 HE ARG 65 HE ARG 65 -9.852 -6.554 10.899 507 HH11 ARG 65 HH11 ARG 65 -11.781 -9.482 11.130 508 HH12 ARG 65 HH12 ARG 65 -12.428 -9.026 12.685 509 HH21 ARG 65 HH21 ARG 65 -10.614 -6.079 12.819 510 HH22 ARG 65 HH22 ARG 65 -11.754 -7.120 13.661 511 H ILE 66 H ILE 66 -8.876 -5.397 7.627 512 HA ILE 66 HA ILE 66 -6.154 -4.692 8.500 513 HB ILE 66 HB ILE 66 -5.918 -4.100 6.265 514 HG12 ILE 66 HG12 ILE 66 -6.607 -1.490 7.638 515 HG13 ILE 66 HG13 ILE 66 -5.209 -2.458 8.088 516 HG21 ILE 66 HG21 ILE 66 -8.311 -4.043 5.544 517 HG22 ILE 66 HG22 ILE 66 -8.472 -2.455 6.326 518 HG23 ILE 66 HG23 ILE 66 -7.385 -2.678 4.945 519 HD11 ILE 66 HD11 ILE 66 -4.239 -2.205 5.867 520 HD12 ILE 66 HD12 ILE 66 -5.664 -1.310 5.297 521 HD13 ILE 66 HD13 ILE 66 -4.631 -0.615 6.544 522 H ASP 67 H ASP 67 -6.362 -3.986 10.446 523 HA ASP 67 HA ASP 67 -7.308 -3.406 12.400 524 HB2 ASP 67 HB2 ASP 67 -6.745 -1.200 11.368 525 HB3 ASP 67 HB3 ASP 67 -8.421 -1.037 10.869 526 H THR 68 H THR 68 -10.182 -1.752 11.697 527 HA THR 68 HA THR 68 -11.838 -4.050 12.509 528 HB THR 68 HB THR 68 -13.642 -2.331 12.641 529 HG1 THR 68 HG1 THR 68 -13.002 -0.171 12.452 530 HG21 THR 68 HG21 THR 68 -12.236 -2.860 14.618 531 HG22 THR 68 HG22 THR 68 -11.105 -1.570 14.153 532 HG23 THR 68 HG23 THR 68 -12.777 -1.174 14.603 533 H HIS 69 H HIS 69 -10.771 -3.077 9.505 534 HA HIS 69 HA HIS 69 -13.359 -3.439 8.112 535 HB2 HIS 69 HB2 HIS 69 -10.698 -2.513 6.993 536 HB3 HIS 69 HB3 HIS 69 -12.263 -2.488 6.198 537 HD1 HIS 69 HD1 HIS 69 -13.704 -0.302 6.565 538 HD2 HIS 69 HD2 HIS 69 -10.314 -0.674 9.034 539 HE1 HIS 69 HE1 HIS 69 -13.412 1.950 7.722 540 H LEU 70 H LEU 70 -13.644 -4.940 6.585 541 HA LEU 70 HA LEU 70 -11.493 -6.873 5.899 542 HB2 LEU 70 HB2 LEU 70 -13.038 -7.921 7.557 543 HB3 LEU 70 HB3 LEU 70 -14.390 -7.583 6.479 544 HG LEU 70 HG LEU 70 -13.276 -9.070 4.738 545 HD11 LEU 70 HD11 LEU 70 -10.963 -9.058 5.617 546 HD12 LEU 70 HD12 LEU 70 -11.513 -9.847 7.109 547 HD13 LEU 70 HD13 LEU 70 -11.600 -10.701 5.554 548 HD21 LEU 70 HD21 LEU 70 -13.951 -10.345 7.420 549 HD22 LEU 70 HD22 LEU 70 -15.121 -9.862 6.170 550 HD23 LEU 70 HD23 LEU 70 -13.961 -11.158 5.839 551 H PHE 71 H PHE 71 -11.186 -7.011 3.795 552 HA PHE 71 HA PHE 71 -13.288 -6.153 1.846 553 HB2 PHE 71 HB2 PHE 71 -10.282 -5.720 1.663 554 HB3 PHE 71 HB3 PHE 71 -11.480 -5.277 0.462 555 HD1 PHE 71 HD2 PHE 71 -13.317 -3.561 1.168 556 HD2 PHE 71 HD1 PHE 71 -9.684 -4.211 3.402 557 HE1 PHE 71 HE2 PHE 71 -13.626 -1.381 2.313 558 HE2 PHE 71 HE1 PHE 71 -9.972 -1.997 4.502 559 HZ PHE 71 HZ PHE 71 -11.948 -0.601 3.983 560 H ASP 72 H ASP 72 -13.261 -7.215 -0.195 561 HA ASP 72 HA ASP 72 -12.647 -9.991 -0.074 562 HB2 ASP 72 HB2 ASP 72 -14.452 -9.057 -1.438 563 HB3 ASP 72 HB3 ASP 72 -13.287 -8.171 -2.428 564 H ASN 73 H ASN 73 -10.817 -7.288 -1.395 565 HA ASN 73 HA ASN 73 -8.392 -8.883 -1.765 566 HB2 ASN 73 HB2 ASN 73 -8.216 -8.300 -4.187 567 HB3 ASN 73 HB3 ASN 73 -9.568 -9.372 -3.849 568 HD21 ASN 73 HD22 ASN 73 -11.680 -8.684 -4.423 569 HD22 ASN 73 HD21 ASN 73 -11.953 -7.084 -5.112 570 H LEU 74 H LEU 74 -6.621 -7.445 -2.728 571 HA LEU 74 HA LEU 74 -6.248 -5.193 -1.019 572 HB2 LEU 74 HB2 LEU 74 -4.787 -6.173 -3.495 573 HB3 LEU 74 HB3 LEU 74 -4.252 -4.796 -2.537 574 HG LEU 74 HG LEU 74 -4.501 -7.649 -1.510 575 HD11 LEU 74 HD11 LEU 74 -2.634 -7.293 -3.094 576 HD12 LEU 74 HD12 LEU 74 -2.077 -5.913 -2.120 577 HD13 LEU 74 HD13 LEU 74 -2.042 -7.554 -1.442 578 HD21 LEU 74 HD21 LEU 74 -3.509 -5.081 -0.211 579 HD22 LEU 74 HD22 LEU 74 -4.843 -6.108 0.352 580 HD23 LEU 74 HD23 LEU 74 -3.188 -6.707 0.446 581 H ASP 75 H ASP 75 -7.207 -5.285 -4.486 582 HA ASP 75 HA ASP 75 -6.961 -2.462 -4.907 583 HB2 ASP 75 HB2 ASP 75 -7.038 -4.173 -6.698 584 HB3 ASP 75 HB3 ASP 75 -8.728 -4.496 -6.320 585 H ALA 76 H ALA 76 -9.705 -4.435 -3.742 586 HA ALA 76 HA ALA 76 -11.609 -2.306 -3.545 587 HB1 ALA 76 HB1 ALA 76 -12.213 -4.693 -3.464 588 HB2 ALA 76 HB2 ALA 76 -11.342 -4.876 -1.925 589 HB3 ALA 76 HB3 ALA 76 -12.783 -3.844 -2.011 590 H ALA 77 H ALA 77 -9.102 -3.433 -1.226 591 HA ALA 77 HA ALA 77 -9.881 -1.666 0.905 592 HB1 ALA 77 HB1 ALA 77 -8.476 -3.721 1.153 593 HB2 ALA 77 HB2 ALA 77 -7.148 -2.890 0.322 594 HB3 ALA 77 HB3 ALA 77 -7.741 -2.277 1.879 595 H ILE 78 H ILE 78 -7.380 -1.329 -1.672 596 HA ILE 78 HA ILE 78 -6.501 1.311 -1.035 597 HB ILE 78 HB ILE 78 -6.715 -0.156 -3.694 598 HG12 ILE 78 HG12 ILE 78 -5.204 -1.308 -2.201 599 HG13 ILE 78 HG13 ILE 78 -4.301 -0.538 -3.478 600 HG21 ILE 78 HG21 ILE 78 -6.584 2.189 -4.253 601 HG22 ILE 78 HG22 ILE 78 -5.239 2.436 -3.123 602 HG23 ILE 78 HG23 ILE 78 -5.024 1.438 -4.572 603 HD11 ILE 78 HD11 ILE 78 -3.645 1.274 -1.860 604 HD12 ILE 78 HD12 ILE 78 -4.518 0.390 -0.584 605 HD13 ILE 78 HD13 ILE 78 -3.130 -0.353 -1.391 606 H THR 79 H THR 79 -9.070 0.296 -3.248 607 HA THR 79 HA THR 79 -10.023 2.862 -3.998 608 HB THR 79 HB THR 79 -11.636 0.286 -3.789 609 HG1 THR 79 HG1 THR 79 -9.976 -0.047 -5.148 610 HG21 THR 79 HG21 THR 79 -13.150 2.188 -4.110 611 HG22 THR 79 HG22 THR 79 -12.111 2.833 -5.403 612 HG23 THR 79 HG23 THR 79 -12.988 1.301 -5.630 613 H PHE 80 H PHE 80 -11.134 0.806 -1.224 614 HA PHE 80 HA PHE 80 -13.109 2.632 -0.278 615 HB2 PHE 80 HB2 PHE 80 -12.893 0.314 0.501 616 HB3 PHE 80 HB3 PHE 80 -11.352 0.686 1.263 617 HD1 PHE 80 HD2 PHE 80 -11.244 2.077 3.311 618 HD2 PHE 80 HD1 PHE 80 -15.020 1.073 1.489 619 HE1 PHE 80 HE2 PHE 80 -12.428 2.831 5.356 620 HE2 PHE 80 HE1 PHE 80 -16.204 1.808 3.546 621 HZ PHE 80 HZ PHE 80 -14.913 2.696 5.478 622 H TYR 81 H TYR 81 -9.583 2.446 0.484 623 HA TYR 81 HA TYR 81 -9.733 4.836 2.115 624 HB2 TYR 81 HB2 TYR 81 -7.354 3.259 1.139 625 HB3 TYR 81 HB3 TYR 81 -7.276 4.610 2.270 626 HD1 TYR 81 HD2 TYR 81 -9.310 4.330 4.211 627 HD2 TYR 81 HD1 TYR 81 -7.024 1.223 2.272 628 HE1 TYR 81 HE2 TYR 81 -9.714 2.828 6.145 629 HE2 TYR 81 HE1 TYR 81 -7.452 -0.286 4.206 630 HH TYR 81 HH TYR 81 -9.371 0.766 7.040 631 H MET 82 H MET 82 -9.933 4.661 -1.179 632 HA MET 82 HA MET 82 -8.738 7.370 -1.603 633 HB2 MET 82 HB2 MET 82 -10.070 5.379 -3.481 634 HB3 MET 82 HB3 MET 82 -9.697 7.040 -3.934 635 HG2 MET 82 HG2 MET 82 -7.338 6.700 -3.547 636 HG3 MET 82 HG3 MET 82 -7.620 5.055 -2.968 637 HE1 MET 82 HE1 MET 82 -5.593 6.121 -5.363 638 HE2 MET 82 HE2 MET 82 -5.635 4.507 -4.617 639 HE3 MET 82 HE3 MET 82 -5.710 4.672 -6.389 640 H GLU 83 H GLU 83 -11.872 5.668 -1.421 641 HA GLU 83 HA GLU 83 -13.492 8.039 -1.853 642 HB2 GLU 83 HB2 GLU 83 -14.102 5.622 -2.354 643 HB3 GLU 83 HB3 GLU 83 -14.238 5.359 -0.620 644 HG2 GLU 83 HG2 GLU 83 -16.437 5.691 -1.464 645 HG3 GLU 83 HG3 GLU 83 -16.038 7.137 -0.552 646 H HIS 84 H HIS 84 -12.245 6.365 1.013 647 HA HIS 84 HA HIS 84 -13.316 8.503 2.810 648 HB2 HIS 84 HB2 HIS 84 -12.960 5.554 3.459 649 HB3 HIS 84 HB3 HIS 84 -13.635 6.793 4.511 650 HD1 HIS 84 HD1 HIS 84 -16.126 7.814 3.604 651 HD2 HIS 84 HD2 HIS 84 -14.614 4.287 1.879 652 HE1 HIS 84 HE1 HIS 84 -18.089 6.703 2.415 653 H GLU 85 H GLU 85 -12.002 9.016 4.662 654 HA GLU 85 HA GLU 85 -9.167 9.001 4.148 655 HB2 GLU 85 HB2 GLU 85 -10.738 9.738 6.645 656 HB3 GLU 85 HB3 GLU 85 -9.000 9.997 6.434 657 HG2 GLU 85 HG2 GLU 85 -9.388 11.493 4.545 658 HG3 GLU 85 HG3 GLU 85 -11.126 11.195 4.604 659 H LEU 86 H LEU 86 -7.502 7.843 5.012 660 HA LEU 86 HA LEU 86 -8.090 5.178 6.066 661 HB2 LEU 86 HB2 LEU 86 -6.376 5.871 4.293 662 HB3 LEU 86 HB3 LEU 86 -5.383 6.498 5.592 663 HG LEU 86 HG LEU 86 -6.271 3.612 5.214 664 HD11 LEU 86 HD11 LEU 86 -4.600 4.374 3.595 665 HD12 LEU 86 HD12 LEU 86 -3.569 4.983 4.911 666 HD13 LEU 86 HD13 LEU 86 -3.867 3.244 4.744 667 HD21 LEU 86 HD21 LEU 86 -4.506 4.824 7.364 668 HD22 LEU 86 HD22 LEU 86 -6.000 3.876 7.585 669 HD23 LEU 86 HD23 LEU 86 -4.555 3.090 6.974 670 H GLU 87 H GLU 87 -5.970 7.789 7.150 671 HA GLU 87 HA GLU 87 -6.904 7.568 9.956 672 HB2 GLU 87 HB2 GLU 87 -5.011 5.962 9.781 673 HB3 GLU 87 HB3 GLU 87 -3.979 7.248 9.166 674 HG2 GLU 87 HG2 GLU 87 -3.446 6.936 11.464 675 HG3 GLU 87 HG3 GLU 87 -4.275 8.479 11.342 676 H TYR 88 H TYR 88 -4.203 9.137 8.171 677 HA TYR 88 HA TYR 88 -4.865 11.753 9.357 678 HB2 TYR 88 HB2 TYR 88 -2.638 10.887 7.501 679 HB3 TYR 88 HB3 TYR 88 -2.753 12.447 8.300 680 HD1 TYR 88 HD1 TYR 88 -2.434 12.642 10.772 681 HD2 TYR 88 HD2 TYR 88 -1.883 8.895 8.698 682 HE1 TYR 88 HE1 TYR 88 -1.202 11.717 12.744 683 HE2 TYR 88 HE2 TYR 88 -0.697 7.974 10.671 684 HH TYR 88 HH TYR 88 0.015 8.350 12.810 685 H SER 89 H SER 89 -4.976 10.204 6.160 686 HA SER 89 HA SER 89 -6.908 12.133 5.157 687 HB2 SER 89 HB2 SER 89 -4.534 13.144 4.744 688 HB3 SER 89 HB3 SER 89 -4.352 11.835 3.568 689 HG SER 89 HG SER 89 -5.205 13.830 2.686 690 H SER 90 H SER 90 -7.062 11.544 2.594 691 HA SER 90 HA SER 90 -7.509 8.612 2.324 692 HB2 SER 90 HB2 SER 90 -8.155 10.857 0.385 693 HB3 SER 90 HB3 SER 90 -8.680 9.169 0.274 694 HG SER 90 HG SER 90 -10.291 10.572 1.157 695 H LEU 91 H LEU 91 -6.688 7.454 0.505 696 HA LEU 91 HA LEU 91 -3.963 7.945 -0.357 697 HB2 LEU 91 HB2 LEU 91 -6.142 6.187 -1.559 698 HB3 LEU 91 HB3 LEU 91 -4.430 6.090 -1.927 699 HG LEU 91 HG LEU 91 -5.787 5.364 0.693 700 HD11 LEU 91 HD11 LEU 91 -6.035 3.741 -1.200 701 HD12 LEU 91 HD12 LEU 91 -4.270 3.671 -1.338 702 HD13 LEU 91 HD13 LEU 91 -5.079 3.084 0.129 703 HD21 LEU 91 HD21 LEU 91 -2.839 5.302 -0.009 704 HD22 LEU 91 HD22 LEU 91 -3.606 6.296 1.247 705 HD23 LEU 91 HD23 LEU 91 -3.558 4.540 1.418 706 H LYS 92 H LYS 92 -3.187 8.933 -2.232 707 HA LYS 92 HA LYS 92 -5.224 10.091 -4.123 708 HB2 LYS 92 HB2 LYS 92 -2.544 11.324 -3.359 709 HB3 LYS 92 HB3 LYS 92 -3.695 11.926 -4.554 710 HG2 LYS 92 HG2 LYS 92 -5.463 11.958 -2.687 711 HG3 LYS 92 HG3 LYS 92 -4.131 11.746 -1.548 712 HD2 LYS 92 HD2 LYS 92 -4.451 14.034 -3.546 713 HD3 LYS 92 HD3 LYS 92 -4.819 14.114 -1.818 714 HE2 LYS 92 HE2 LYS 92 -2.459 13.640 -1.269 715 HE3 LYS 92 HE3 LYS 92 -2.061 13.526 -2.986 716 HZ1 LYS 92 HZ1 LYS 92 -2.700 15.867 -3.218 717 HZ2 LYS 92 HZ2 LYS 92 -3.062 15.970 -1.626 718 HZ3 LYS 92 HZ3 LYS 92 -1.521 15.701 -2.101 719 H GLN 93 H GLN 93 -1.868 8.776 -4.063 720 HA GLN 93 HA GLN 93 -2.320 7.860 -6.839 721 HB2 GLN 93 HB2 GLN 93 -0.368 9.015 -7.730 722 HB3 GLN 93 HB3 GLN 93 -1.554 10.159 -7.096 723 HG2 GLN 93 HG2 GLN 93 -0.170 10.324 -4.975 724 HG3 GLN 93 HG3 GLN 93 1.037 9.288 -5.738 725 HE21 GLN 93 HE22 GLN 93 2.155 11.416 -4.964 726 HE22 GLN 93 HE21 GLN 93 2.323 12.631 -6.239 727 HA PRO 94 HA PRO 94 0.439 4.593 -5.530 728 HB2 PRO 94 HB2 PRO 94 0.930 3.339 -7.883 729 HB3 PRO 94 HB3 PRO 94 -0.695 3.334 -7.131 730 HG2 PRO 94 HG2 PRO 94 0.287 5.158 -9.335 731 HG3 PRO 94 HG3 PRO 94 -1.221 4.192 -9.278 732 HD2 PRO 94 HD2 PRO 94 -1.148 6.827 -8.562 733 HD3 PRO 94 HD3 PRO 94 -2.221 5.656 -7.737 734 H LEU 95 H LEU 95 2.632 4.446 -5.189 735 HA LEU 95 HA LEU 95 4.506 6.330 -6.211 736 HB2 LEU 95 HB2 LEU 95 4.824 5.115 -4.093 737 HB3 LEU 95 HB3 LEU 95 4.920 3.587 -4.967 738 HG LEU 95 HG LEU 95 7.007 4.371 -6.099 739 HD11 LEU 95 HD11 LEU 95 6.692 6.840 -5.938 740 HD12 LEU 95 HD12 LEU 95 6.797 6.723 -4.169 741 HD13 LEU 95 HD13 LEU 95 8.203 6.337 -5.183 742 HD21 LEU 95 HD21 LEU 95 7.235 4.591 -3.093 743 HD22 LEU 95 HD22 LEU 95 7.061 3.056 -3.978 744 HD23 LEU 95 HD23 LEU 95 8.480 4.076 -4.249 745 H GLN 96 H GLN 96 6.015 6.257 -7.847 746 HA GLN 96 HA GLN 96 5.544 4.313 -10.034 747 HB2 GLN 96 HB2 GLN 96 7.080 6.935 -10.011 748 HB3 GLN 96 HB3 GLN 96 6.726 5.941 -11.421 749 HG2 GLN 96 HG2 GLN 96 4.686 7.422 -9.695 750 HG3 GLN 96 HG3 GLN 96 5.205 7.855 -11.314 751 HE21 GLN 96 HE22 GLN 96 2.798 6.120 -9.553 752 HE22 GLN 96 HE21 GLN 96 2.173 5.236 -10.940 753 H ARG 97 H ARG 97 7.195 3.171 -11.031 754 HA ARG 97 HA ARG 97 9.873 3.014 -9.787 755 HB2 ARG 97 HB2 ARG 97 9.752 0.561 -9.670 756 HB3 ARG 97 HB3 ARG 97 8.672 1.391 -8.559 757 HG2 ARG 97 HG2 ARG 97 6.754 0.940 -10.101 758 HG3 ARG 97 HG3 ARG 97 7.848 0.027 -11.157 759 HD2 ARG 97 HD2 ARG 97 8.305 -1.576 -9.374 760 HD3 ARG 97 HD3 ARG 97 7.369 -0.630 -8.216 761 HE ARG 97 HE ARG 97 6.345 -2.432 -10.274 762 HH11 ARG 97 HH11 ARG 97 5.425 0.156 -8.061 763 HH12 ARG 97 HH12 ARG 97 3.755 0.044 -8.523 764 HH21 ARG 97 HH21 ARG 97 4.185 -2.730 -10.523 765 HH22 ARG 97 HH22 ARG 97 3.054 -1.855 -9.548 Start of MODEL 10 1 H1 GLY -6 H1 GLY -6 14.097 -6.838 -43.219 2 H2 GLY -6 H2 GLY -6 14.717 -5.478 -43.886 3 H3 GLY -6 H3 GLY -6 15.660 -6.807 -43.707 4 HA2 GLY -6 HA2 GLY -6 15.544 -6.646 -41.310 5 HA3 GLY -6 HA3 GLY -6 16.235 -5.185 -42.036 6 H SER -5 H SER -5 15.024 -5.320 -39.459 7 HA SER -5 HA SER -5 12.964 -3.219 -39.720 8 HB2 SER -5 HB2 SER -5 11.353 -4.321 -38.324 9 HB3 SER -5 HB3 SER -5 11.735 -5.413 -39.661 10 HG SER -5 HG SER -5 11.754 -6.560 -37.716 11 H SER -4 H SER -4 12.308 -2.470 -37.412 12 HA SER -4 HA SER -4 14.684 -1.808 -35.871 13 HB2 SER -4 HB2 SER -4 13.048 -0.533 -34.481 14 HB3 SER -4 HB3 SER -4 13.009 -0.141 -36.203 15 HG SER -4 HG SER -4 11.146 -1.688 -34.708 16 H GLY -3 H GLY -3 12.885 -4.625 -35.844 17 HA2 GLY -3 HA2 GLY -3 12.866 -6.423 -34.389 18 HA3 GLY -3 HA3 GLY -3 13.909 -5.529 -33.287 19 H SER -2 H SER -2 12.529 -6.678 -31.709 20 HA SER -2 HA SER -2 10.333 -4.973 -30.739 21 HB2 SER -2 HB2 SER -2 9.292 -6.719 -32.242 22 HB3 SER -2 HB3 SER -2 9.904 -7.960 -31.132 23 HG SER -2 HG SER -2 7.727 -7.296 -30.678 24 H SER -1 H SER -1 9.685 -5.559 -28.519 25 HA SER -1 HA SER -1 11.490 -7.232 -26.922 26 HB2 SER -1 HB2 SER -1 12.647 -4.983 -27.170 27 HB3 SER -1 HB3 SER -1 11.295 -4.269 -26.270 28 HG SER -1 HG SER -1 13.087 -4.873 -24.926 29 H GLY 0 H GLY 0 10.808 -7.384 -24.672 30 HA2 GLY 0 HA2 GLY 0 7.898 -7.595 -24.385 31 HA3 GLY 0 HA3 GLY 0 9.123 -8.101 -23.230 32 H MET 1 H MET 1 7.240 -7.161 -21.925 33 HA MET 1 HA MET 1 7.937 -4.415 -21.065 34 HB2 MET 1 HB2 MET 1 5.684 -3.689 -20.953 35 HB3 MET 1 HB3 MET 1 5.974 -4.252 -22.588 36 HG2 MET 1 HG2 MET 1 4.519 -5.834 -20.424 37 HG3 MET 1 HG3 MET 1 3.747 -4.852 -21.655 38 HE1 MET 1 HE1 MET 1 3.002 -7.884 -21.004 39 HE2 MET 1 HE2 MET 1 2.163 -6.886 -22.216 40 HE3 MET 1 HE3 MET 1 2.752 -8.504 -22.652 41 H ALA 2 H ALA 2 7.208 -3.868 -18.916 42 HA ALA 2 HA ALA 2 7.270 -6.220 -17.085 43 HB1 ALA 2 HB1 ALA 2 9.299 -4.813 -17.164 44 HB2 ALA 2 HB2 ALA 2 8.331 -3.398 -16.687 45 HB3 ALA 2 HB3 ALA 2 8.520 -4.770 -15.574 46 H GLU 3 H GLU 3 4.806 -4.798 -18.181 47 HA GLU 3 HA GLU 3 3.722 -3.290 -15.943 48 HB2 GLU 3 HB2 GLU 3 2.378 -4.039 -18.558 49 HB3 GLU 3 HB3 GLU 3 1.876 -2.784 -17.422 50 HG2 GLU 3 HG2 GLU 3 4.357 -2.797 -19.177 51 HG3 GLU 3 HG3 GLU 3 2.960 -1.738 -19.299 52 H ALA 4 H ALA 4 4.188 -5.999 -15.225 53 HA ALA 4 HA ALA 4 1.575 -7.310 -14.912 54 HB1 ALA 4 HB1 ALA 4 3.614 -8.640 -15.274 55 HB2 ALA 4 HB2 ALA 4 4.324 -7.976 -13.783 56 HB3 ALA 4 HB3 ALA 4 2.881 -9.009 -13.702 57 H ALA 5 H ALA 5 0.651 -7.801 -12.872 58 HA ALA 5 HA ALA 5 -0.390 -7.246 -10.968 59 HB1 ALA 5 HB1 ALA 5 1.810 -7.959 -10.063 60 HB2 ALA 5 HB2 ALA 5 2.316 -6.256 -10.006 61 HB3 ALA 5 HB3 ALA 5 0.960 -6.818 -9.011 62 H ALA 6 H ALA 6 -0.601 -5.363 -9.165 63 HA ALA 6 HA ALA 6 -1.761 -3.113 -10.562 64 HB1 ALA 6 HB1 ALA 6 -2.736 -4.126 -8.527 65 HB2 ALA 6 HB2 ALA 6 -1.319 -3.602 -7.587 66 HB3 ALA 6 HB3 ALA 6 -2.403 -2.401 -8.320 67 HA PRO 7 HA PRO 7 1.717 -0.443 -10.759 68 HB2 PRO 7 HB2 PRO 7 0.658 2.090 -10.559 69 HB3 PRO 7 HB3 PRO 7 0.420 1.019 -11.972 70 HG2 PRO 7 HG2 PRO 7 -1.444 1.414 -9.607 71 HG3 PRO 7 HG3 PRO 7 -1.845 1.477 -11.355 72 HD2 PRO 7 HD2 PRO 7 -2.265 -0.770 -9.918 73 HD3 PRO 7 HD3 PRO 7 -1.622 -0.876 -11.584 74 H TRP 8 H TRP 8 -0.275 -0.170 -7.875 75 HA TRP 8 HA TRP 8 1.767 1.233 -6.291 76 HB2 TRP 8 HB2 TRP 8 0.005 0.618 -4.446 77 HB3 TRP 8 HB3 TRP 8 -0.288 1.894 -5.580 78 HD1 TRP 8 HD1 TRP 8 -2.343 1.710 -7.158 79 HE1 TRP 8 HE1 TRP 8 -4.312 0.078 -7.381 80 HE3 TRP 8 HE3 TRP 8 -0.589 -2.086 -4.216 81 HZ2 TRP 8 HZ2 TRP 8 -5.056 -2.502 -6.371 82 HZ3 TRP 8 HZ3 TRP 8 -1.975 -4.123 -3.830 83 HH2 TRP 8 HH2 TRP 8 -4.193 -4.348 -4.928 84 H TYR 9 H TYR 9 1.534 -2.036 -7.249 85 HA TYR 9 HA TYR 9 2.446 -3.072 -4.627 86 HB2 TYR 9 HB2 TYR 9 0.757 -4.304 -5.921 87 HB3 TYR 9 HB3 TYR 9 1.920 -4.533 -7.223 88 HD1 TYR 9 HD2 TYR 9 1.398 -5.161 -3.554 89 HD2 TYR 9 HD1 TYR 9 3.401 -6.405 -7.170 90 HE1 TYR 9 HE2 TYR 9 2.229 -7.207 -2.396 91 HE2 TYR 9 HE1 TYR 9 4.203 -8.457 -6.018 92 HH TYR 9 HH TYR 9 4.199 -9.681 -4.084 93 H HIS 10 H HIS 10 4.474 -3.386 -4.074 94 HA HIS 10 HA HIS 10 6.637 -3.339 -6.152 95 HB2 HIS 10 HB2 HIS 10 6.506 -1.999 -3.438 96 HB3 HIS 10 HB3 HIS 10 8.009 -2.215 -4.331 97 HD1 HIS 10 HD1 HIS 10 8.479 -0.578 -6.358 98 HD2 HIS 10 HD2 HIS 10 4.644 -0.330 -4.668 99 HE1 HIS 10 HE1 HIS 10 7.368 1.469 -7.406 100 H GLY 11 H GLY 11 5.227 -5.630 -4.401 101 HA2 GLY 11 HA2 GLY 11 5.947 -7.744 -3.759 102 HA3 GLY 11 HA3 GLY 11 7.447 -7.380 -4.588 103 HA PRO 12 HA PRO 12 8.525 -7.803 -0.132 104 HB2 PRO 12 HB2 PRO 12 10.888 -9.106 -0.325 105 HB3 PRO 12 HB3 PRO 12 9.338 -9.896 -0.719 106 HG2 PRO 12 HG2 PRO 12 11.273 -8.582 -2.660 107 HG3 PRO 12 HG3 PRO 12 10.581 -10.234 -2.745 108 HD2 PRO 12 HD2 PRO 12 9.488 -8.112 -4.082 109 HD3 PRO 12 HD3 PRO 12 8.473 -9.419 -3.399 110 H LEU 13 H LEU 13 8.536 -5.314 -0.937 111 HA LEU 13 HA LEU 13 11.152 -4.037 -0.815 112 HB2 LEU 13 HB2 LEU 13 8.979 -3.184 -1.966 113 HB3 LEU 13 HB3 LEU 13 8.451 -2.741 -0.352 114 HG LEU 13 HG LEU 13 10.513 -1.289 -0.142 115 HD11 LEU 13 HD11 LEU 13 11.966 -2.253 -1.858 116 HD12 LEU 13 HD12 LEU 13 10.733 -1.976 -3.111 117 HD13 LEU 13 HD13 LEU 13 11.552 -0.605 -2.349 118 HD21 LEU 13 HD21 LEU 13 8.647 -0.646 -2.462 119 HD22 LEU 13 HD22 LEU 13 8.274 -0.395 -0.746 120 HD23 LEU 13 HD23 LEU 13 9.590 0.515 -1.505 121 H SER 14 H SER 14 12.206 -3.247 0.969 122 HA SER 14 HA SER 14 11.214 -3.906 3.660 123 HB2 SER 14 HB2 SER 14 13.767 -2.541 2.728 124 HB3 SER 14 HB3 SER 14 13.404 -3.016 4.398 125 HG SER 14 HG SER 14 14.656 -4.595 3.266 126 H ARG 15 H ARG 15 11.141 -2.356 5.415 127 HA ARG 15 HA ARG 15 9.536 -0.063 5.015 128 HB2 ARG 15 HB2 ARG 15 11.395 -0.966 7.238 129 HB3 ARG 15 HB3 ARG 15 10.803 0.688 7.239 130 HG2 ARG 15 HG2 ARG 15 8.432 -0.222 7.041 131 HG3 ARG 15 HG3 ARG 15 9.129 -1.834 7.304 132 HD2 ARG 15 HD2 ARG 15 8.341 -0.946 9.428 133 HD3 ARG 15 HD3 ARG 15 10.119 -1.002 9.447 134 HE ARG 15 HE ARG 15 9.632 1.560 8.575 135 HH11 ARG 15 HH11 ARG 15 8.433 -0.055 11.460 136 HH12 ARG 15 HH12 ARG 15 8.369 1.452 12.334 137 HH21 ARG 15 HH21 ARG 15 9.608 3.277 9.659 138 HH22 ARG 15 HH22 ARG 15 9.020 3.365 11.324 139 H THR 16 H THR 16 13.080 -0.002 5.592 140 HA THR 16 HA THR 16 13.397 2.729 5.351 141 HB THR 16 HB THR 16 15.481 0.772 4.326 142 HG1 THR 16 HG1 THR 16 16.059 0.538 6.497 143 HG21 THR 16 HG21 THR 16 16.128 3.133 4.162 144 HG22 THR 16 HG22 THR 16 15.617 3.421 5.842 145 HG23 THR 16 HG23 THR 16 17.020 2.381 5.491 146 H ASP 17 H ASP 17 13.281 0.432 2.628 147 HA ASP 17 HA ASP 17 13.923 2.375 0.563 148 HB2 ASP 17 HB2 ASP 17 12.636 -0.378 0.563 149 HB3 ASP 17 HB3 ASP 17 12.863 0.565 -0.902 150 H ALA 18 H ALA 18 10.830 1.071 1.871 151 HA ALA 18 HA ALA 18 9.104 2.591 0.163 152 HB1 ALA 18 HB1 ALA 18 8.383 0.604 1.449 153 HB2 ALA 18 HB2 ALA 18 8.653 1.474 2.971 154 HB3 ALA 18 HB3 ALA 18 7.387 2.018 1.859 155 H GLU 19 H GLU 19 10.461 3.301 3.401 156 HA GLU 19 HA GLU 19 9.134 5.813 3.751 157 HB2 GLU 19 HB2 GLU 19 11.619 4.647 5.059 158 HB3 GLU 19 HB3 GLU 19 10.877 6.185 5.522 159 HG2 GLU 19 HG2 GLU 19 8.720 4.985 5.963 160 HG3 GLU 19 HG3 GLU 19 9.519 3.463 5.614 161 H ASN 20 H ASN 20 12.441 5.103 2.451 162 HA ASN 20 HA ASN 20 13.048 7.907 2.044 163 HB2 ASN 20 HB2 ASN 20 14.210 5.306 0.995 164 HB3 ASN 20 HB3 ASN 20 14.693 6.847 0.296 165 HD21 ASN 20 HD22 ASN 20 14.724 4.966 3.296 166 HD22 ASN 20 HD21 ASN 20 15.964 5.960 4.070 167 H SER 21 H SER 21 11.364 5.512 0.001 168 HA SER 21 HA SER 21 11.181 7.200 -2.331 169 HB2 SER 21 HB2 SER 21 9.327 4.952 -1.442 170 HB3 SER 21 HB3 SER 21 9.394 5.697 -3.048 171 HG SER 21 HG SER 21 11.357 4.121 -1.737 172 H LEU 22 H LEU 22 8.811 6.595 0.335 173 HA LEU 22 HA LEU 22 6.959 8.540 -0.748 174 HB2 LEU 22 HB2 LEU 22 7.049 6.658 1.546 175 HB3 LEU 22 HB3 LEU 22 6.038 8.062 1.752 176 HG LEU 22 HG LEU 22 4.713 7.551 -0.180 177 HD11 LEU 22 HD11 LEU 22 6.285 6.545 -1.746 178 HD12 LEU 22 HD12 LEU 22 6.571 5.183 -0.634 179 HD13 LEU 22 HD13 LEU 22 4.986 5.392 -1.418 180 HD21 LEU 22 HD21 LEU 22 5.201 5.048 1.494 181 HD22 LEU 22 HD22 LEU 22 4.301 6.481 2.030 182 HD23 LEU 22 HD23 LEU 22 3.693 5.514 0.667 183 H LEU 23 H LEU 23 9.578 8.879 1.613 184 HA LEU 23 HA LEU 23 8.711 11.487 2.523 185 HB2 LEU 23 HB2 LEU 23 10.262 9.991 3.756 186 HB3 LEU 23 HB3 LEU 23 11.463 10.192 2.479 187 HG LEU 23 HG LEU 23 11.644 12.610 3.037 188 HD11 LEU 23 HD11 LEU 23 9.406 13.063 3.958 189 HD12 LEU 23 HD12 LEU 23 9.701 11.925 5.295 190 HD13 LEU 23 HD13 LEU 23 10.637 13.431 5.166 191 HD21 LEU 23 HD21 LEU 23 11.958 10.753 5.431 192 HD22 LEU 23 HD22 LEU 23 13.126 10.956 4.105 193 HD23 LEU 23 HD23 LEU 23 12.780 12.312 5.191 194 H ARG 24 H ARG 24 10.494 10.384 -0.311 195 HA ARG 24 HA ARG 24 11.235 13.084 -1.187 196 HB2 ARG 24 HB2 ARG 24 12.533 11.004 -1.698 197 HB3 ARG 24 HB3 ARG 24 11.200 10.439 -2.711 198 HG2 ARG 24 HG2 ARG 24 11.488 12.399 -4.202 199 HG3 ARG 24 HG3 ARG 24 12.797 13.007 -3.175 200 HD2 ARG 24 HD2 ARG 24 12.797 10.334 -4.643 201 HD3 ARG 24 HD3 ARG 24 13.569 11.815 -5.235 202 HE ARG 24 HE ARG 24 14.626 11.403 -2.677 203 HH11 ARG 24 HH11 ARG 24 14.705 9.634 -5.698 204 HH12 ARG 24 HH12 ARG 24 16.232 8.885 -5.326 205 HH21 ARG 24 HH21 ARG 24 16.569 10.411 -2.262 206 HH22 ARG 24 HH22 ARG 24 17.257 9.323 -3.429 207 H MET 25 H MET 25 8.569 10.870 -1.755 208 HA MET 25 HA MET 25 7.298 12.441 -3.850 209 HB2 MET 25 HB2 MET 25 6.420 10.094 -2.136 210 HB3 MET 25 HB3 MET 25 5.378 10.809 -3.340 211 HG2 MET 25 HG2 MET 25 8.116 9.699 -3.917 212 HG3 MET 25 HG3 MET 25 6.634 8.807 -4.148 213 HE1 MET 25 HE1 MET 25 5.157 8.905 -6.250 214 HE2 MET 25 HE2 MET 25 4.563 10.437 -5.573 215 HE3 MET 25 HE3 MET 25 5.021 10.345 -7.287 216 HA PRO 26 HA PRO 26 4.749 15.131 -1.343 217 HB2 PRO 26 HB2 PRO 26 2.450 15.387 -2.787 218 HB3 PRO 26 HB3 PRO 26 4.021 16.052 -3.340 219 HG2 PRO 26 HG2 PRO 26 2.737 13.426 -4.105 220 HG3 PRO 26 HG3 PRO 26 3.408 14.679 -5.202 221 HD2 PRO 26 HD2 PRO 26 4.839 12.498 -4.476 222 HD3 PRO 26 HD3 PRO 26 5.641 14.075 -4.656 223 H GLU 27 H GLU 27 2.754 15.263 -0.113 224 HA GLU 27 HA GLU 27 1.993 12.982 1.372 225 HB2 GLU 27 HB2 GLU 27 1.743 15.366 2.073 226 HB3 GLU 27 HB3 GLU 27 0.498 15.575 0.846 227 HG2 GLU 27 HG2 GLU 27 -0.784 13.673 2.130 228 HG3 GLU 27 HG3 GLU 27 0.362 13.996 3.433 229 H GLY 28 H GLY 28 0.552 11.416 1.158 230 HA2 GLY 28 HA2 GLY 28 -1.460 10.388 0.528 231 HA3 GLY 28 HA3 GLY 28 -1.687 11.595 -0.737 232 H THR 29 H THR 29 1.455 10.472 -0.960 233 HA THR 29 HA THR 29 0.902 8.651 -3.198 234 HB THR 29 HB THR 29 3.619 9.264 -1.940 235 HG1 THR 29 HG1 THR 29 2.895 11.155 -2.744 236 HG21 THR 29 HG21 THR 29 3.526 7.211 -3.333 237 HG22 THR 29 HG22 THR 29 2.794 8.148 -4.656 238 HG23 THR 29 HG23 THR 29 4.443 8.497 -4.097 239 H PHE 30 H PHE 30 0.772 6.433 -3.027 240 HA PHE 30 HA PHE 30 1.687 5.184 -0.488 241 HB2 PHE 30 HB2 PHE 30 -0.352 3.985 -0.269 242 HB3 PHE 30 HB3 PHE 30 -0.726 5.687 -0.429 243 HD1 PHE 30 HD1 PHE 30 -1.894 6.533 -2.450 244 HD2 PHE 30 HD2 PHE 30 -0.886 2.373 -2.036 245 HE1 PHE 30 HE1 PHE 30 -3.335 5.988 -4.403 246 HE2 PHE 30 HE2 PHE 30 -2.364 1.822 -3.954 247 HZ PHE 30 HZ PHE 30 -3.515 3.633 -5.197 248 H LEU 31 H LEU 31 1.821 2.886 -0.479 249 HA LEU 31 HA LEU 31 2.009 1.465 -3.027 250 HB2 LEU 31 HB2 LEU 31 4.296 0.731 -2.791 251 HB3 LEU 31 HB3 LEU 31 4.212 2.472 -2.894 252 HG LEU 31 HG LEU 31 4.447 2.449 -0.292 253 HD11 LEU 31 HD11 LEU 31 4.195 0.030 0.196 254 HD12 LEU 31 HD12 LEU 31 5.484 -0.355 -0.964 255 HD13 LEU 31 HD13 LEU 31 5.839 0.531 0.534 256 HD21 LEU 31 HD21 LEU 31 6.732 1.525 -2.080 257 HD22 LEU 31 HD22 LEU 31 6.154 3.192 -1.878 258 HD23 LEU 31 HD23 LEU 31 6.885 2.356 -0.512 259 H VAL 32 H VAL 32 2.268 -0.843 -2.755 260 HA VAL 32 HA VAL 32 1.734 -1.863 -0.014 261 HB VAL 32 HB VAL 32 0.492 -2.993 -2.531 262 HG11 VAL 32 HG11 VAL 32 0.930 -4.790 -0.936 263 HG12 VAL 32 HG12 VAL 32 0.250 -3.821 0.393 264 HG13 VAL 32 HG13 VAL 32 -0.791 -4.413 -0.915 265 HG21 VAL 32 HG21 VAL 32 -0.738 -1.499 -0.164 266 HG22 VAL 32 HG22 VAL 32 -0.628 -0.900 -1.835 267 HG23 VAL 32 HG23 VAL 32 -1.654 -2.290 -1.469 268 H ARG 33 H ARG 33 2.888 -3.535 0.636 269 HA ARG 33 HA ARG 33 4.788 -4.892 -1.218 270 HB2 ARG 33 HB2 ARG 33 6.657 -4.415 0.289 271 HB3 ARG 33 HB3 ARG 33 5.905 -2.913 -0.249 272 HG2 ARG 33 HG2 ARG 33 4.595 -2.958 1.990 273 HG3 ARG 33 HG3 ARG 33 5.693 -4.258 2.468 274 HD2 ARG 33 HD2 ARG 33 7.606 -2.603 1.947 275 HD3 ARG 33 HD3 ARG 33 6.368 -1.376 1.753 276 HE ARG 33 HE ARG 33 6.024 -1.315 4.047 277 HH11 ARG 33 HH11 ARG 33 8.200 -4.030 3.393 278 HH12 ARG 33 HH12 ARG 33 8.282 -4.427 5.107 279 HH21 ARG 33 HH21 ARG 33 6.306 -1.920 6.210 280 HH22 ARG 33 HH22 ARG 33 7.303 -3.310 6.572 281 H ASP 34 H ASP 34 5.682 -6.857 -0.401 282 HA ASP 34 HA ASP 34 3.924 -8.509 1.251 283 HB2 ASP 34 HB2 ASP 34 5.239 -9.491 -0.536 284 HB3 ASP 34 HB3 ASP 34 6.734 -8.916 0.188 285 H SER 35 H SER 35 4.041 -8.959 3.413 286 HA SER 35 HA SER 35 5.096 -6.862 4.997 287 HB2 SER 35 HB2 SER 35 3.050 -7.966 5.598 288 HB3 SER 35 HB3 SER 35 3.885 -9.508 5.803 289 HG SER 35 HG SER 35 3.449 -8.167 7.754 290 H THR 36 H THR 36 6.879 -6.492 5.978 291 HA THR 36 HA THR 36 9.066 -8.406 6.227 292 HB THR 36 HB THR 36 10.024 -6.366 7.589 293 HG1 THR 36 HG1 THR 36 8.249 -5.119 7.833 294 HG21 THR 36 HG21 THR 36 10.821 -6.982 5.377 295 HG22 THR 36 HG22 THR 36 9.413 -6.228 4.608 296 HG23 THR 36 HG23 THR 36 10.611 -5.229 5.476 297 H SER 37 H SER 37 6.274 -7.843 8.112 298 HA SER 37 HA SER 37 7.533 -8.770 10.641 299 HB2 SER 37 HB2 SER 37 4.623 -8.171 10.043 300 HB3 SER 37 HB3 SER 37 5.344 -8.471 11.629 301 HG SER 37 HG SER 37 6.656 -6.564 11.247 302 H SER 38 H SER 38 5.191 -9.931 8.179 303 HA SER 38 HA SER 38 5.374 -12.710 9.283 304 HB2 SER 38 HB2 SER 38 2.808 -11.165 8.799 305 HB3 SER 38 HB3 SER 38 2.927 -12.891 9.199 306 HG SER 38 HG SER 38 2.531 -11.623 11.056 307 HA PRO 39 HA PRO 39 5.614 -13.335 4.781 308 HB2 PRO 39 HB2 PRO 39 5.523 -16.202 5.730 309 HB3 PRO 39 HB3 PRO 39 6.547 -15.467 4.454 310 HG2 PRO 39 HG2 PRO 39 7.589 -15.948 6.903 311 HG3 PRO 39 HG3 PRO 39 7.926 -14.383 6.092 312 HD2 PRO 39 HD2 PRO 39 5.872 -14.983 8.242 313 HD3 PRO 39 HD3 PRO 39 7.021 -13.612 8.121 314 H GLY 40 H GLY 40 4.053 -13.599 3.256 315 HA2 GLY 40 HA2 GLY 40 2.096 -14.335 2.226 316 HA3 GLY 40 HA3 GLY 40 1.610 -15.181 3.694 317 H ASP 41 H ASP 41 2.283 -12.232 4.913 318 HA ASP 41 HA ASP 41 -0.407 -11.038 4.354 319 HB2 ASP 41 HB2 ASP 41 1.540 -10.531 6.632 320 HB3 ASP 41 HB3 ASP 41 0.033 -9.663 6.366 321 H TYR 42 H TYR 42 -0.403 -8.604 4.238 322 HA TYR 42 HA TYR 42 1.991 -7.568 2.768 323 HB2 TYR 42 HB2 TYR 42 -0.937 -7.112 2.122 324 HB3 TYR 42 HB3 TYR 42 0.426 -6.359 1.305 325 HD1 TYR 42 HD1 TYR 42 2.093 -7.880 0.106 326 HD2 TYR 42 HD2 TYR 42 -1.759 -9.224 1.482 327 HE1 TYR 42 HE1 TYR 42 2.226 -9.851 -1.435 328 HE2 TYR 42 HE2 TYR 42 -1.637 -11.183 -0.054 329 HH TYR 42 HH TYR 42 -0.397 -12.286 -1.635 330 H VAL 43 H VAL 43 2.060 -5.181 2.648 331 HA VAL 43 HA VAL 43 0.828 -3.767 4.976 332 HB VAL 43 HB VAL 43 3.764 -3.573 4.196 333 HG11 VAL 43 HG11 VAL 43 2.928 -1.414 5.035 334 HG12 VAL 43 HG12 VAL 43 2.182 -2.224 6.432 335 HG13 VAL 43 HG13 VAL 43 3.945 -2.179 6.257 336 HG21 VAL 43 HG21 VAL 43 2.469 -4.757 6.686 337 HG22 VAL 43 HG22 VAL 43 3.299 -5.658 5.407 338 HG23 VAL 43 HG23 VAL 43 4.218 -4.541 6.421 339 H LEU 44 H LEU 44 -0.003 -1.883 4.475 340 HA LEU 44 HA LEU 44 0.422 -0.597 1.827 341 HB2 LEU 44 HB2 LEU 44 -1.900 -0.984 2.508 342 HB3 LEU 44 HB3 LEU 44 -1.610 -0.239 4.061 343 HG LEU 44 HG LEU 44 -1.337 1.963 3.011 344 HD11 LEU 44 HD11 LEU 44 -0.423 1.508 0.849 345 HD12 LEU 44 HD12 LEU 44 -1.823 0.512 0.399 346 HD13 LEU 44 HD13 LEU 44 -1.995 2.267 0.610 347 HD21 LEU 44 HD21 LEU 44 -3.824 0.491 2.026 348 HD22 LEU 44 HD22 LEU 44 -3.591 1.107 3.672 349 HD23 LEU 44 HD23 LEU 44 -3.678 2.237 2.311 350 H SER 45 H SER 45 1.812 1.087 1.750 351 HA SER 45 HA SER 45 2.470 2.543 4.278 352 HB2 SER 45 HB2 SER 45 4.317 2.207 1.907 353 HB3 SER 45 HB3 SER 45 4.677 3.001 3.448 354 HG SER 45 HG SER 45 4.036 0.249 3.042 355 H CYS 46 H CYS 46 2.319 4.804 4.227 356 HA CYS 46 HA CYS 46 1.618 6.118 1.656 357 HB2 CYS 46 HB2 CYS 46 -0.468 5.190 2.737 358 HB3 CYS 46 HB3 CYS 46 -0.192 6.308 4.088 359 HG CYS 46 HG CYS 46 -0.265 8.510 2.686 360 H SER 47 H SER 47 2.232 8.275 1.499 361 HA SER 47 HA SER 47 3.879 9.396 3.624 362 HB2 SER 47 HB2 SER 47 4.091 11.265 1.982 363 HB3 SER 47 HB3 SER 47 4.663 9.693 1.426 364 HG SER 47 HG SER 47 3.295 11.017 -0.046 365 H GLU 48 H GLU 48 2.772 10.019 5.335 366 HA GLU 48 HA GLU 48 0.687 12.146 5.019 367 HB2 GLU 48 HB2 GLU 48 0.375 9.571 6.613 368 HB3 GLU 48 HB3 GLU 48 -0.578 11.010 6.930 369 HG2 GLU 48 HG2 GLU 48 -0.572 9.403 4.363 370 HG3 GLU 48 HG3 GLU 48 -1.861 9.503 5.558 371 H ASN 49 H ASN 49 0.311 13.527 6.749 372 HA ASN 49 HA ASN 49 0.874 14.885 8.448 373 HB2 ASN 49 HB2 ASN 49 -0.066 12.895 9.544 374 HB3 ASN 49 HB3 ASN 49 1.544 12.231 9.767 375 HD21 ASN 49 HD22 ASN 49 -0.314 15.259 10.510 376 HD22 ASN 49 HD21 ASN 49 0.377 15.413 12.115 377 H GLY 50 H GLY 50 2.965 14.624 6.507 378 HA2 GLY 50 HA2 GLY 50 5.070 15.523 6.186 379 HA3 GLY 50 HA3 GLY 50 5.124 15.935 7.901 380 H LYS 51 H LYS 51 4.497 12.630 7.337 381 HA LYS 51 HA LYS 51 7.319 11.702 7.466 382 HB2 LYS 51 HB2 LYS 51 6.761 10.229 9.364 383 HB3 LYS 51 HB3 LYS 51 6.567 11.921 9.787 384 HG2 LYS 51 HG2 LYS 51 4.134 11.763 9.548 385 HG3 LYS 51 HG3 LYS 51 4.264 10.073 9.020 386 HD2 LYS 51 HD2 LYS 51 5.123 9.434 11.231 387 HD3 LYS 51 HD3 LYS 51 5.104 11.140 11.748 388 HE2 LYS 51 HE2 LYS 51 2.658 11.237 11.320 389 HE3 LYS 51 HE3 LYS 51 2.665 9.539 10.833 390 HZ1 LYS 51 HZ1 LYS 51 3.362 8.974 13.106 391 HZ2 LYS 51 HZ2 LYS 51 3.365 10.554 13.536 392 HZ3 LYS 51 HZ3 LYS 51 1.961 9.825 13.136 393 H VAL 52 H VAL 52 6.793 9.023 7.757 394 HA VAL 52 HA VAL 52 4.889 8.283 5.574 395 HB VAL 52 HB VAL 52 7.567 6.946 6.061 396 HG11 VAL 52 HG11 VAL 52 5.910 5.309 5.324 397 HG12 VAL 52 HG12 VAL 52 5.313 6.418 4.072 398 HG13 VAL 52 HG13 VAL 52 6.928 5.702 3.945 399 HG21 VAL 52 HG21 VAL 52 6.567 8.794 3.854 400 HG22 VAL 52 HG22 VAL 52 7.957 9.044 4.926 401 HG23 VAL 52 HG23 VAL 52 8.018 7.780 3.702 402 H THR 53 H THR 53 3.574 6.640 5.966 403 HA THR 53 HA THR 53 3.528 5.488 8.731 404 HB THR 53 HB THR 53 1.096 5.663 8.655 405 HG1 THR 53 HG1 THR 53 1.563 7.059 6.221 406 HG21 THR 53 HG21 THR 53 2.378 7.507 9.681 407 HG22 THR 53 HG22 THR 53 2.403 8.365 8.121 408 HG23 THR 53 HG23 THR 53 0.862 8.067 8.943 409 H HIS 54 H HIS 54 2.438 3.440 8.966 410 HA HIS 54 HA HIS 54 2.297 1.768 6.504 411 HB2 HIS 54 HB2 HIS 54 3.789 0.978 9.023 412 HB3 HIS 54 HB3 HIS 54 3.640 0.047 7.540 413 HD1 HIS 54 HD1 HIS 54 5.007 1.256 5.318 414 HD2 HIS 54 HD2 HIS 54 5.852 2.555 9.238 415 HE1 HIS 54 HE1 HIS 54 7.291 2.373 5.232 416 H TYR 55 H TYR 55 0.777 0.217 6.520 417 HA TYR 55 HA TYR 55 -0.818 -0.366 8.985 418 HB2 TYR 55 HB2 TYR 55 -1.975 0.278 6.246 419 HB3 TYR 55 HB3 TYR 55 -2.851 0.040 7.752 420 HD1 TYR 55 HD1 TYR 55 -2.683 1.803 9.586 421 HD2 TYR 55 HD2 TYR 55 -1.020 2.388 5.646 422 HE1 TYR 55 HE1 TYR 55 -2.510 4.259 10.014 423 HE2 TYR 55 HE2 TYR 55 -0.841 4.827 6.083 424 HH TYR 55 HH TYR 55 -1.050 6.475 7.618 425 H LYS 56 H LYS 56 -1.270 -2.547 9.201 426 HA LYS 56 HA LYS 56 -0.241 -4.377 7.164 427 HB2 LYS 56 HB2 LYS 56 -1.451 -4.757 9.910 428 HB3 LYS 56 HB3 LYS 56 -1.217 -6.127 8.814 429 HG2 LYS 56 HG2 LYS 56 1.156 -5.641 8.583 430 HG3 LYS 56 HG3 LYS 56 1.007 -4.202 9.612 431 HD2 LYS 56 HD2 LYS 56 0.515 -5.549 11.561 432 HD3 LYS 56 HD3 LYS 56 0.262 -6.993 10.573 433 HE2 LYS 56 HE2 LYS 56 2.402 -7.194 11.654 434 HE3 LYS 56 HE3 LYS 56 2.630 -7.019 9.916 435 HZ1 LYS 56 HZ1 LYS 56 3.174 -4.654 10.319 436 HZ2 LYS 56 HZ2 LYS 56 3.029 -4.878 11.939 437 HZ3 LYS 56 HZ3 LYS 56 4.201 -5.655 11.092 438 H LEU 57 H LEU 57 -1.164 -5.451 5.700 439 HA LEU 57 HA LEU 57 -4.135 -5.557 5.351 440 HB2 LEU 57 HB2 LEU 57 -1.777 -5.704 3.452 441 HB3 LEU 57 HB3 LEU 57 -3.376 -6.251 2.967 442 HG LEU 57 HG LEU 57 -2.984 -3.458 4.057 443 HD11 LEU 57 HD11 LEU 57 -1.309 -3.510 2.382 444 HD12 LEU 57 HD12 LEU 57 -2.274 -4.508 1.304 445 HD13 LEU 57 HD13 LEU 57 -2.724 -2.814 1.559 446 HD21 LEU 57 HD21 LEU 57 -4.846 -4.575 1.927 447 HD22 LEU 57 HD22 LEU 57 -5.294 -4.356 3.630 448 HD23 LEU 57 HD23 LEU 57 -4.895 -2.947 2.631 449 H SER 58 H SER 58 -4.449 -7.212 6.745 450 HA SER 58 HA SER 58 -2.737 -9.594 6.871 451 HB2 SER 58 HB2 SER 58 -5.210 -8.716 8.399 452 HB3 SER 58 HB3 SER 58 -4.329 -10.212 8.727 453 HG SER 58 HG SER 58 -3.619 -8.489 10.071 454 H ALA 59 H ALA 59 -3.204 -11.635 6.131 455 HA ALA 59 HA ALA 59 -5.553 -12.001 4.395 456 HB1 ALA 59 HB1 ALA 59 -3.365 -12.861 3.710 457 HB2 ALA 59 HB2 ALA 59 -3.297 -13.891 5.158 458 HB3 ALA 59 HB3 ALA 59 -4.534 -14.181 3.914 459 H GLU 60 H GLU 60 -7.450 -12.832 4.990 460 HA GLU 60 HA GLU 60 -7.678 -14.703 7.309 461 HB2 GLU 60 HB2 GLU 60 -8.109 -12.400 8.119 462 HB3 GLU 60 HB3 GLU 60 -9.371 -12.196 6.901 463 HG2 GLU 60 HG2 GLU 60 -10.654 -14.072 7.923 464 HG3 GLU 60 HG3 GLU 60 -9.369 -14.302 9.114 465 H GLU 61 H GLU 61 -8.537 -16.526 6.430 466 HA GLU 61 HA GLU 61 -9.542 -17.922 4.991 467 HB2 GLU 61 HB2 GLU 61 -11.214 -16.918 6.692 468 HB3 GLU 61 HB3 GLU 61 -11.960 -16.144 5.301 469 HG2 GLU 61 HG2 GLU 61 -13.094 -18.187 5.900 470 HG3 GLU 61 HG3 GLU 61 -12.388 -18.384 4.299 471 H GLY 62 H GLY 62 -8.122 -15.993 3.575 472 HA2 GLY 62 HA2 GLY 62 -7.629 -15.741 1.286 473 HA3 GLY 62 HA3 GLY 62 -9.252 -16.283 0.861 474 H LYS 63 H LYS 63 -9.760 -13.947 3.139 475 HA LYS 63 HA LYS 63 -10.043 -11.695 1.189 476 HB2 LYS 63 HB2 LYS 63 -11.396 -12.319 3.848 477 HB3 LYS 63 HB3 LYS 63 -11.539 -10.769 3.035 478 HG2 LYS 63 HG2 LYS 63 -12.400 -11.967 0.986 479 HG3 LYS 63 HG3 LYS 63 -12.405 -13.470 1.927 480 HD2 LYS 63 HD2 LYS 63 -13.961 -12.426 3.564 481 HD3 LYS 63 HD3 LYS 63 -13.969 -10.934 2.599 482 HE2 LYS 63 HE2 LYS 63 -14.861 -12.198 0.654 483 HE3 LYS 63 HE3 LYS 63 -14.835 -13.688 1.603 484 HZ1 LYS 63 HZ1 LYS 63 -16.461 -12.681 3.116 485 HZ2 LYS 63 HZ2 LYS 63 -16.488 -11.299 2.240 486 HZ3 LYS 63 HZ3 LYS 63 -17.045 -12.689 1.594 487 H ILE 64 H ILE 64 -9.766 -9.529 2.164 488 HA ILE 64 HA ILE 64 -7.125 -9.351 3.564 489 HB ILE 64 HB ILE 64 -8.539 -7.564 1.564 490 HG12 ILE 64 HG12 ILE 64 -7.364 -9.449 0.544 491 HG13 ILE 64 HG13 ILE 64 -6.614 -7.923 0.144 492 HG21 ILE 64 HG21 ILE 64 -7.545 -6.035 3.153 493 HG22 ILE 64 HG22 ILE 64 -6.008 -6.921 3.127 494 HG23 ILE 64 HG23 ILE 64 -6.593 -6.048 1.685 495 HD11 ILE 64 HD11 ILE 64 -4.804 -8.366 1.821 496 HD12 ILE 64 HD12 ILE 64 -5.547 -9.947 2.163 497 HD13 ILE 64 HD13 ILE 64 -4.903 -9.596 0.554 498 H ARG 65 H ARG 65 -7.238 -8.842 5.611 499 HA ARG 65 HA ARG 65 -9.348 -7.009 6.665 500 HB2 ARG 65 HB2 ARG 65 -9.206 -9.098 7.833 501 HB3 ARG 65 HB3 ARG 65 -7.471 -8.893 8.113 502 HG2 ARG 65 HG2 ARG 65 -7.808 -6.989 9.527 503 HG3 ARG 65 HG3 ARG 65 -9.508 -6.833 9.061 504 HD2 ARG 65 HD2 ARG 65 -8.280 -9.058 10.687 505 HD3 ARG 65 HD3 ARG 65 -9.238 -7.704 11.310 506 HE ARG 65 HE ARG 65 -10.205 -10.183 10.184 507 HH11 ARG 65 HH11 ARG 65 -11.207 -6.843 10.618 508 HH12 ARG 65 HH12 ARG 65 -12.889 -7.241 10.434 509 HH21 ARG 65 HH21 ARG 65 -12.282 -10.589 9.791 510 HH22 ARG 65 HH22 ARG 65 -13.501 -9.344 10.026 511 H ILE 66 H ILE 66 -8.857 -5.053 7.511 512 HA ILE 66 HA ILE 66 -6.119 -4.306 8.147 513 HB ILE 66 HB ILE 66 -5.884 -3.877 5.860 514 HG12 ILE 66 HG12 ILE 66 -6.441 -1.144 7.033 515 HG13 ILE 66 HG13 ILE 66 -5.098 -2.138 7.579 516 HG21 ILE 66 HG21 ILE 66 -8.233 -3.800 5.131 517 HG22 ILE 66 HG22 ILE 66 -8.419 -2.200 5.874 518 HG23 ILE 66 HG23 ILE 66 -7.323 -2.445 4.492 519 HD11 ILE 66 HD11 ILE 66 -4.054 -2.086 5.414 520 HD12 ILE 66 HD12 ILE 66 -5.438 -1.246 4.684 521 HD13 ILE 66 HD13 ILE 66 -4.445 -0.431 5.897 522 H ASP 67 H ASP 67 -6.046 -3.010 9.782 523 HA ASP 67 HA ASP 67 -6.632 -1.983 11.666 524 HB2 ASP 67 HB2 ASP 67 -6.786 -0.061 10.130 525 HB3 ASP 67 HB3 ASP 67 -8.516 -0.329 9.966 526 H THR 68 H THR 68 -9.888 -1.896 10.277 527 HA THR 68 HA THR 68 -10.876 -3.952 12.162 528 HB THR 68 HB THR 68 -11.110 -1.697 13.237 529 HG1 THR 68 HG1 THR 68 -12.392 -3.332 13.950 530 HG21 THR 68 HG21 THR 68 -11.746 -0.415 11.222 531 HG22 THR 68 HG22 THR 68 -13.286 -1.302 11.152 532 HG23 THR 68 HG23 THR 68 -12.924 -0.247 12.537 533 H HIS 69 H HIS 69 -10.696 -2.896 9.030 534 HA HIS 69 HA HIS 69 -13.436 -3.585 8.179 535 HB2 HIS 69 HB2 HIS 69 -11.101 -2.289 6.719 536 HB3 HIS 69 HB3 HIS 69 -12.733 -2.515 6.082 537 HD1 HIS 69 HD1 HIS 69 -14.673 -0.893 7.140 538 HD2 HIS 69 HD2 HIS 69 -10.707 -0.219 8.384 539 HE1 HIS 69 HE1 HIS 69 -14.665 1.370 8.313 540 H LEU 70 H LEU 70 -13.695 -4.919 6.346 541 HA LEU 70 HA LEU 70 -11.536 -6.847 5.682 542 HB2 LEU 70 HB2 LEU 70 -13.074 -7.813 7.436 543 HB3 LEU 70 HB3 LEU 70 -14.408 -7.617 6.304 544 HG LEU 70 HG LEU 70 -13.115 -9.159 4.697 545 HD11 LEU 70 HD11 LEU 70 -10.881 -8.989 5.783 546 HD12 LEU 70 HD12 LEU 70 -11.535 -9.749 7.242 547 HD13 LEU 70 HD13 LEU 70 -11.446 -10.661 5.725 548 HD21 LEU 70 HD21 LEU 70 -13.968 -10.283 7.395 549 HD22 LEU 70 HD22 LEU 70 -15.039 -9.934 6.019 550 HD23 LEU 70 HD23 LEU 70 -13.808 -11.201 5.882 551 H PHE 71 H PHE 71 -11.344 -7.250 3.572 552 HA PHE 71 HA PHE 71 -13.455 -6.406 1.629 553 HB2 PHE 71 HB2 PHE 71 -10.461 -5.895 1.438 554 HB3 PHE 71 HB3 PHE 71 -11.677 -5.458 0.250 555 HD1 PHE 71 HD1 PHE 71 -13.502 -3.755 0.934 556 HD2 PHE 71 HD2 PHE 71 -9.939 -4.457 3.264 557 HE1 PHE 71 HE1 PHE 71 -13.877 -1.623 2.158 558 HE2 PHE 71 HE2 PHE 71 -10.295 -2.298 4.445 559 HZ PHE 71 HZ PHE 71 -12.278 -0.908 3.925 560 H ASP 72 H ASP 72 -13.344 -7.397 -0.455 561 HA ASP 72 HA ASP 72 -12.717 -10.169 -0.452 562 HB2 ASP 72 HB2 ASP 72 -14.456 -9.172 -1.851 563 HB3 ASP 72 HB3 ASP 72 -13.262 -8.201 -2.708 564 H ASN 73 H ASN 73 -10.832 -7.386 -1.558 565 HA ASN 73 HA ASN 73 -8.396 -8.969 -1.951 566 HB2 ASN 73 HB2 ASN 73 -8.173 -8.307 -4.339 567 HB3 ASN 73 HB3 ASN 73 -9.569 -9.341 -4.078 568 HD21 ASN 73 HD22 ASN 73 -11.623 -8.558 -4.685 569 HD22 ASN 73 HD21 ASN 73 -11.844 -6.912 -5.281 570 H LEU 74 H LEU 74 -6.608 -7.499 -2.850 571 HA LEU 74 HA LEU 74 -6.210 -5.323 -1.053 572 HB2 LEU 74 HB2 LEU 74 -4.773 -6.177 -3.594 573 HB3 LEU 74 HB3 LEU 74 -4.226 -4.861 -2.559 574 HG LEU 74 HG LEU 74 -4.449 -7.779 -1.730 575 HD11 LEU 74 HD11 LEU 74 -2.576 -7.278 -3.264 576 HD12 LEU 74 HD12 LEU 74 -2.052 -5.963 -2.184 577 HD13 LEU 74 HD13 LEU 74 -1.993 -7.646 -1.626 578 HD21 LEU 74 HD21 LEU 74 -3.543 -5.290 -0.244 579 HD22 LEU 74 HD22 LEU 74 -4.828 -6.406 0.241 580 HD23 LEU 74 HD23 LEU 74 -3.151 -6.943 0.297 581 H ASP 75 H ASP 75 -7.169 -5.259 -4.524 582 HA ASP 75 HA ASP 75 -6.886 -2.422 -4.829 583 HB2 ASP 75 HB2 ASP 75 -6.935 -4.048 -6.693 584 HB3 ASP 75 HB3 ASP 75 -8.627 -4.398 -6.354 585 H ALA 76 H ALA 76 -9.649 -4.416 -3.770 586 HA ALA 76 HA ALA 76 -11.546 -2.278 -3.540 587 HB1 ALA 76 HB1 ALA 76 -12.183 -4.646 -3.587 588 HB2 ALA 76 HB2 ALA 76 -11.326 -4.932 -2.057 589 HB3 ALA 76 HB3 ALA 76 -12.759 -3.882 -2.093 590 H ALA 77 H ALA 77 -9.090 -3.515 -1.223 591 HA ALA 77 HA ALA 77 -9.893 -1.819 0.960 592 HB1 ALA 77 HB1 ALA 77 -8.534 -3.899 1.175 593 HB2 ALA 77 HB2 ALA 77 -7.176 -3.078 0.382 594 HB3 ALA 77 HB3 ALA 77 -7.773 -2.493 1.946 595 H ILE 78 H ILE 78 -7.411 -1.411 -1.615 596 HA ILE 78 HA ILE 78 -6.505 1.208 -0.887 597 HB ILE 78 HB ILE 78 -6.722 -0.206 -3.574 598 HG12 ILE 78 HG12 ILE 78 -5.181 -1.345 -2.095 599 HG13 ILE 78 HG13 ILE 78 -4.307 -0.560 -3.387 600 HG21 ILE 78 HG21 ILE 78 -6.638 2.145 -4.107 601 HG22 ILE 78 HG22 ILE 78 -5.286 2.404 -2.989 602 HG23 ILE 78 HG23 ILE 78 -5.068 1.424 -4.450 603 HD11 ILE 78 HD11 ILE 78 -3.659 1.264 -1.779 604 HD12 ILE 78 HD12 ILE 78 -4.493 0.365 -0.488 605 HD13 ILE 78 HD13 ILE 78 -3.104 -0.349 -1.318 606 H THR 79 H THR 79 -9.063 0.266 -3.158 607 HA THR 79 HA THR 79 -10.005 2.849 -3.817 608 HB THR 79 HB THR 79 -11.640 0.283 -3.697 609 HG1 THR 79 HG1 THR 79 -9.953 -0.017 -5.045 610 HG21 THR 79 HG21 THR 79 -13.129 2.211 -3.983 611 HG22 THR 79 HG22 THR 79 -12.070 2.878 -5.248 612 HG23 THR 79 HG23 THR 79 -12.960 1.363 -5.523 613 H PHE 80 H PHE 80 -11.141 0.728 -1.103 614 HA PHE 80 HA PHE 80 -13.126 2.501 -0.112 615 HB2 PHE 80 HB2 PHE 80 -12.860 0.200 0.660 616 HB3 PHE 80 HB3 PHE 80 -11.291 0.575 1.364 617 HD1 PHE 80 HD1 PHE 80 -14.958 1.111 1.674 618 HD2 PHE 80 HD2 PHE 80 -11.100 1.759 3.491 619 HE1 PHE 80 HE1 PHE 80 -16.067 1.802 3.787 620 HE2 PHE 80 HE2 PHE 80 -12.211 2.443 5.604 621 HZ PHE 80 HZ PHE 80 -14.695 2.474 5.752 622 H TYR 81 H TYR 81 -9.590 2.413 0.617 623 HA TYR 81 HA TYR 81 -9.813 4.811 2.238 624 HB2 TYR 81 HB2 TYR 81 -7.410 3.222 1.358 625 HB3 TYR 81 HB3 TYR 81 -7.338 4.641 2.401 626 HD1 TYR 81 HD2 TYR 81 -9.343 4.519 4.357 627 HD2 TYR 81 HD1 TYR 81 -7.127 1.247 2.616 628 HE1 TYR 81 HE2 TYR 81 -9.707 3.173 6.417 629 HE2 TYR 81 HE1 TYR 81 -7.492 -0.087 4.679 630 HH TYR 81 HH TYR 81 -8.399 -0.137 6.786 631 H MET 82 H MET 82 -10.047 4.624 -1.020 632 HA MET 82 HA MET 82 -8.853 7.333 -1.465 633 HB2 MET 82 HB2 MET 82 -10.188 5.354 -3.356 634 HB3 MET 82 HB3 MET 82 -9.774 7.009 -3.792 635 HG2 MET 82 HG2 MET 82 -7.428 6.618 -3.383 636 HG3 MET 82 HG3 MET 82 -7.748 4.980 -2.802 637 HE1 MET 82 HE1 MET 82 -5.698 6.062 -5.208 638 HE2 MET 82 HE2 MET 82 -5.718 4.457 -4.448 639 HE3 MET 82 HE3 MET 82 -5.797 4.604 -6.221 640 H GLU 83 H GLU 83 -11.971 5.607 -1.208 641 HA GLU 83 HA GLU 83 -13.598 8.011 -1.564 642 HB2 GLU 83 HB2 GLU 83 -14.250 5.211 -0.554 643 HB3 GLU 83 HB3 GLU 83 -15.437 6.498 -0.805 644 HG2 GLU 83 HG2 GLU 83 -14.742 6.632 -3.211 645 HG3 GLU 83 HG3 GLU 83 -13.690 5.241 -2.962 646 H HIS 84 H HIS 84 -12.186 6.347 1.211 647 HA HIS 84 HA HIS 84 -13.302 8.406 3.071 648 HB2 HIS 84 HB2 HIS 84 -12.872 5.449 3.645 649 HB3 HIS 84 HB3 HIS 84 -13.523 6.652 4.755 650 HD1 HIS 84 HD1 HIS 84 -16.060 7.641 4.020 651 HD2 HIS 84 HD2 HIS 84 -14.564 4.249 2.028 652 HE1 HIS 84 HE1 HIS 84 -18.050 6.572 2.837 653 H GLU 85 H GLU 85 -11.973 8.968 4.875 654 HA GLU 85 HA GLU 85 -9.141 9.002 4.328 655 HB2 GLU 85 HB2 GLU 85 -10.701 9.753 6.825 656 HB3 GLU 85 HB3 GLU 85 -8.971 10.039 6.595 657 HG2 GLU 85 HG2 GLU 85 -9.398 11.497 4.687 658 HG3 GLU 85 HG3 GLU 85 -11.132 11.167 4.761 659 H LEU 86 H LEU 86 -7.447 7.880 5.188 660 HA LEU 86 HA LEU 86 -8.012 5.229 6.293 661 HB2 LEU 86 HB2 LEU 86 -6.359 5.888 4.443 662 HB3 LEU 86 HB3 LEU 86 -5.307 6.501 5.703 663 HG LEU 86 HG LEU 86 -6.286 3.637 5.387 664 HD11 LEU 86 HD11 LEU 86 -4.662 4.332 3.689 665 HD12 LEU 86 HD12 LEU 86 -3.554 4.910 4.955 666 HD13 LEU 86 HD13 LEU 86 -3.925 3.180 4.813 667 HD21 LEU 86 HD21 LEU 86 -4.406 4.820 7.450 668 HD22 LEU 86 HD22 LEU 86 -5.912 3.910 7.735 669 HD23 LEU 86 HD23 LEU 86 -4.511 3.084 7.078 670 H GLU 87 H GLU 87 -5.838 7.842 7.254 671 HA GLU 87 HA GLU 87 -6.639 7.599 10.110 672 HB2 GLU 87 HB2 GLU 87 -4.668 6.120 9.839 673 HB3 GLU 87 HB3 GLU 87 -3.755 7.455 9.146 674 HG2 GLU 87 HG2 GLU 87 -3.060 7.201 11.410 675 HG3 GLU 87 HG3 GLU 87 -3.972 8.698 11.317 676 H TYR 88 H TYR 88 -4.040 9.351 8.358 677 HA TYR 88 HA TYR 88 -4.962 11.919 9.468 678 HB2 TYR 88 HB2 TYR 88 -2.617 11.196 7.702 679 HB3 TYR 88 HB3 TYR 88 -2.885 12.767 8.434 680 HD1 TYR 88 HD1 TYR 88 -2.990 12.924 11.009 681 HD2 TYR 88 HD2 TYR 88 -1.386 9.516 8.897 682 HE1 TYR 88 HE1 TYR 88 -1.672 12.292 13.025 683 HE2 TYR 88 HE2 TYR 88 -0.084 8.883 10.926 684 HH TYR 88 HH TYR 88 -0.215 10.795 13.948 685 H SER 89 H SER 89 -4.932 10.295 6.312 686 HA SER 89 HA SER 89 -6.881 12.175 5.227 687 HB2 SER 89 HB2 SER 89 -4.476 13.151 4.814 688 HB3 SER 89 HB3 SER 89 -4.321 11.825 3.655 689 HG SER 89 HG SER 89 -5.163 13.856 2.789 690 H SER 90 H SER 90 -7.080 11.528 2.721 691 HA SER 90 HA SER 90 -7.518 8.592 2.502 692 HB2 SER 90 HB2 SER 90 -8.185 10.811 0.538 693 HB3 SER 90 HB3 SER 90 -8.714 9.122 0.456 694 HG SER 90 HG SER 90 -10.311 10.544 1.342 695 H LEU 91 H LEU 91 -6.746 7.421 0.647 696 HA LEU 91 HA LEU 91 -4.020 7.899 -0.230 697 HB2 LEU 91 HB2 LEU 91 -6.210 6.141 -1.416 698 HB3 LEU 91 HB3 LEU 91 -4.502 6.049 -1.801 699 HG LEU 91 HG LEU 91 -5.835 5.311 0.826 700 HD11 LEU 91 HD11 LEU 91 -6.058 3.697 -1.080 701 HD12 LEU 91 HD12 LEU 91 -4.293 3.635 -1.196 702 HD13 LEU 91 HD13 LEU 91 -5.118 3.042 0.261 703 HD21 LEU 91 HD21 LEU 91 -2.889 5.290 0.116 704 HD22 LEU 91 HD22 LEU 91 -3.666 6.254 1.390 705 HD23 LEU 91 HD23 LEU 91 -3.589 4.496 1.535 706 H LYS 92 H LYS 92 -3.260 8.919 -2.074 707 HA LYS 92 HA LYS 92 -5.288 10.219 -3.879 708 HB2 LYS 92 HB2 LYS 92 -2.465 11.185 -3.306 709 HB3 LYS 92 HB3 LYS 92 -3.699 11.976 -4.282 710 HG2 LYS 92 HG2 LYS 92 -5.147 12.244 -2.255 711 HG3 LYS 92 HG3 LYS 92 -3.871 11.496 -1.279 712 HD2 LYS 92 HD2 LYS 92 -2.319 13.327 -2.305 713 HD3 LYS 92 HD3 LYS 92 -3.814 14.160 -2.738 714 HE2 LYS 92 HE2 LYS 92 -4.488 14.312 -0.405 715 HE3 LYS 92 HE3 LYS 92 -3.213 13.188 0.088 716 HZ1 LYS 92 HZ1 LYS 92 -1.573 14.826 -0.663 717 HZ2 LYS 92 HZ2 LYS 92 -2.761 15.918 -0.977 718 HZ3 LYS 92 HZ3 LYS 92 -2.486 15.422 0.566 719 H GLN 93 H GLN 93 -1.998 8.770 -3.964 720 HA GLN 93 HA GLN 93 -2.517 7.848 -6.720 721 HB2 GLN 93 HB2 GLN 93 -0.573 8.982 -7.654 722 HB3 GLN 93 HB3 GLN 93 -1.721 10.152 -7.000 723 HG2 GLN 93 HG2 GLN 93 -0.294 10.348 -4.934 724 HG3 GLN 93 HG3 GLN 93 0.859 9.222 -5.655 725 HE21 GLN 93 HE22 GLN 93 2.161 11.250 -5.028 726 HE22 GLN 93 HE21 GLN 93 2.369 12.413 -6.347 727 HA PRO 94 HA PRO 94 0.316 4.608 -5.421 728 HB2 PRO 94 HB2 PRO 94 0.963 3.456 -7.791 729 HB3 PRO 94 HB3 PRO 94 -0.694 3.360 -7.121 730 HG2 PRO 94 HG2 PRO 94 0.310 5.321 -9.194 731 HG3 PRO 94 HG3 PRO 94 -1.141 4.267 -9.267 732 HD2 PRO 94 HD2 PRO 94 -1.286 6.860 -8.441 733 HD3 PRO 94 HD3 PRO 94 -2.304 5.589 -7.700 734 H LEU 95 H LEU 95 2.577 4.377 -5.192 735 HA LEU 95 HA LEU 95 4.373 6.448 -5.939 736 HB2 LEU 95 HB2 LEU 95 4.868 4.897 -4.122 737 HB3 LEU 95 HB3 LEU 95 4.873 3.533 -5.240 738 HG LEU 95 HG LEU 95 6.883 4.450 -6.380 739 HD11 LEU 95 HD11 LEU 95 6.624 6.874 -5.912 740 HD12 LEU 95 HD12 LEU 95 6.825 6.557 -4.173 741 HD13 LEU 95 HD13 LEU 95 8.167 6.283 -5.303 742 HD21 LEU 95 HD21 LEU 95 7.314 4.316 -3.382 743 HD22 LEU 95 HD22 LEU 95 7.084 2.890 -4.424 744 HD23 LEU 95 HD23 LEU 95 8.485 3.947 -4.662 745 H GLN 96 H GLN 96 5.516 6.879 -7.755 746 HA GLN 96 HA GLN 96 4.562 5.668 -10.188 747 HB2 GLN 96 HB2 GLN 96 6.673 7.804 -9.727 748 HB3 GLN 96 HB3 GLN 96 5.983 7.374 -11.292 749 HG2 GLN 96 HG2 GLN 96 4.410 8.517 -8.929 750 HG3 GLN 96 HG3 GLN 96 4.949 9.411 -10.339 751 HE21 GLN 96 HE22 GLN 96 2.424 7.265 -9.100 752 HE22 GLN 96 HE21 GLN 96 1.531 7.233 -10.614 753 H ARG 97 H ARG 97 5.624 4.603 -11.790 754 HA ARG 97 HA ARG 97 7.905 2.880 -10.928 755 HB2 ARG 97 HB2 ARG 97 5.646 2.494 -12.925 756 HB3 ARG 97 HB3 ARG 97 7.030 1.403 -12.791 757 HG2 ARG 97 HG2 ARG 97 6.464 0.804 -10.514 758 HG3 ARG 97 HG3 ARG 97 5.200 2.037 -10.434 759 HD2 ARG 97 HD2 ARG 97 4.263 -0.210 -10.730 760 HD3 ARG 97 HD3 ARG 97 3.833 0.866 -12.050 761 HE ARG 97 HE ARG 97 5.779 -1.403 -12.140 762 HH11 ARG 97 HH11 ARG 97 3.903 0.918 -14.011 763 HH12 ARG 97 HH12 ARG 97 4.224 0.064 -15.508 764 HH21 ARG 97 HH21 ARG 97 6.164 -2.362 -14.133 765 HH22 ARG 97 HH22 ARG 97 5.623 -1.540 -15.581 Start of MODEL 11 1 H1 GLY -6 H1 GLY -6 26.650 6.569 -22.688 2 H2 GLY -6 H2 GLY -6 25.290 5.801 -23.177 3 H3 GLY -6 H3 GLY -6 26.091 6.788 -24.212 4 HA2 GLY -6 HA2 GLY -6 25.589 8.721 -22.874 5 HA3 GLY -6 HA3 GLY -6 24.114 7.891 -23.409 6 H SER -5 H SER -5 23.745 9.501 -21.356 7 HA SER -5 HA SER -5 24.120 8.179 -18.764 8 HB2 SER -5 HB2 SER -5 23.070 10.246 -17.892 9 HB3 SER -5 HB3 SER -5 24.479 10.550 -18.922 10 HG SER -5 HG SER -5 22.699 11.930 -19.431 11 H SER -4 H SER -4 21.735 7.890 -21.149 12 HA SER -4 HA SER -4 19.373 7.647 -19.496 13 HB2 SER -4 HB2 SER -4 18.373 6.718 -21.584 14 HB3 SER -4 HB3 SER -4 19.148 8.297 -21.787 15 HG SER -4 HG SER -4 19.700 6.814 -23.467 16 H GLY -3 H GLY -3 18.048 5.671 -19.400 17 HA2 GLY -3 HA2 GLY -3 19.269 3.039 -19.550 18 HA3 GLY -3 HA3 GLY -3 19.106 3.618 -17.891 19 H SER -2 H SER -2 17.817 1.390 -18.360 20 HA SER -2 HA SER -2 15.275 1.501 -19.611 21 HB2 SER -2 HB2 SER -2 16.231 -0.425 -17.464 22 HB3 SER -2 HB3 SER -2 14.882 -0.676 -18.587 23 HG SER -2 HG SER -2 16.829 -1.685 -19.307 24 H SER -1 H SER -1 13.215 1.672 -18.907 25 HA SER -1 HA SER -1 12.566 2.034 -16.029 26 HB2 SER -1 HB2 SER -1 11.199 4.025 -16.500 27 HB3 SER -1 HB3 SER -1 12.917 4.305 -16.834 28 HG SER -1 HG SER -1 11.596 5.109 -18.523 29 H GLY 0 H GLY 0 11.327 1.592 -19.348 30 HA2 GLY 0 HA2 GLY 0 8.686 0.757 -18.556 31 HA3 GLY 0 HA3 GLY 0 9.402 0.649 -20.162 32 H MET 1 H MET 1 11.340 -1.010 -17.863 33 HA MET 1 HA MET 1 10.683 -3.553 -19.100 34 HB2 MET 1 HB2 MET 1 12.587 -4.430 -17.994 35 HB3 MET 1 HB3 MET 1 13.006 -2.859 -18.655 36 HG2 MET 1 HG2 MET 1 12.311 -3.385 -15.732 37 HG3 MET 1 HG3 MET 1 13.940 -3.353 -16.389 38 HE1 MET 1 HE1 MET 1 13.003 -1.655 -13.855 39 HE2 MET 1 HE2 MET 1 14.663 -1.663 -14.498 40 HE3 MET 1 HE3 MET 1 13.837 -0.120 -14.186 41 H ALA 2 H ALA 2 9.347 -2.036 -16.369 42 HA ALA 2 HA ALA 2 8.782 -4.370 -14.758 43 HB1 ALA 2 HB1 ALA 2 8.761 -2.081 -13.851 44 HB2 ALA 2 HB2 ALA 2 7.385 -1.667 -14.904 45 HB3 ALA 2 HB3 ALA 2 7.193 -2.877 -13.620 46 H GLU 3 H GLU 3 6.879 -5.611 -14.612 47 HA GLU 3 HA GLU 3 4.772 -5.384 -16.647 48 HB2 GLU 3 HB2 GLU 3 6.654 -6.602 -17.753 49 HB3 GLU 3 HB3 GLU 3 6.598 -7.823 -16.478 50 HG2 GLU 3 HG2 GLU 3 4.320 -8.463 -17.156 51 HG3 GLU 3 HG3 GLU 3 4.269 -7.140 -18.326 52 H ALA 4 H ALA 4 2.930 -6.395 -16.082 53 HA ALA 4 HA ALA 4 1.262 -7.210 -14.836 54 HB1 ALA 4 HB1 ALA 4 2.503 -9.301 -15.311 55 HB2 ALA 4 HB2 ALA 4 3.301 -9.166 -13.730 56 HB3 ALA 4 HB3 ALA 4 1.544 -9.384 -13.831 57 H ALA 5 H ALA 5 0.677 -8.068 -12.472 58 HA ALA 5 HA ALA 5 -0.112 -7.375 -10.510 59 HB1 ALA 5 HB1 ALA 5 2.208 -7.880 -9.801 60 HB2 ALA 5 HB2 ALA 5 2.622 -6.161 -9.996 61 HB3 ALA 5 HB3 ALA 5 1.419 -6.658 -8.791 62 H ALA 6 H ALA 6 -0.432 -5.424 -8.951 63 HA ALA 6 HA ALA 6 -1.718 -3.307 -10.452 64 HB1 ALA 6 HB1 ALA 6 -2.624 -4.259 -8.359 65 HB2 ALA 6 HB2 ALA 6 -1.221 -3.627 -7.463 66 HB3 ALA 6 HB3 ALA 6 -2.365 -2.514 -8.240 67 HA PRO 7 HA PRO 7 1.626 -0.453 -10.784 68 HB2 PRO 7 HB2 PRO 7 0.434 2.024 -10.608 69 HB3 PRO 7 HB3 PRO 7 0.244 0.921 -12.004 70 HG2 PRO 7 HG2 PRO 7 -1.622 1.254 -9.632 71 HG3 PRO 7 HG3 PRO 7 -2.039 1.264 -11.377 72 HD2 PRO 7 HD2 PRO 7 -2.328 -0.975 -9.897 73 HD3 PRO 7 HD3 PRO 7 -1.692 -1.077 -11.566 74 H TRP 8 H TRP 8 -0.345 -0.247 -7.883 75 HA TRP 8 HA TRP 8 1.662 1.254 -6.336 76 HB2 TRP 8 HB2 TRP 8 -0.088 0.628 -4.477 77 HB3 TRP 8 HB3 TRP 8 -0.394 1.886 -5.626 78 HD1 TRP 8 HD1 TRP 8 -2.423 1.650 -7.232 79 HE1 TRP 8 HE1 TRP 8 -4.369 -0.013 -7.458 80 HE3 TRP 8 HE3 TRP 8 -0.674 -2.062 -4.191 81 HZ2 TRP 8 HZ2 TRP 8 -5.119 -2.567 -6.372 82 HZ3 TRP 8 HZ3 TRP 8 -2.045 -4.101 -3.767 83 HH2 TRP 8 HH2 TRP 8 -4.254 -4.370 -4.873 84 H TYR 9 H TYR 9 1.550 -2.019 -7.258 85 HA TYR 9 HA TYR 9 2.426 -2.999 -4.608 86 HB2 TYR 9 HB2 TYR 9 0.776 -4.277 -5.914 87 HB3 TYR 9 HB3 TYR 9 1.985 -4.539 -7.170 88 HD1 TYR 9 HD1 TYR 9 1.355 -5.013 -3.496 89 HD2 TYR 9 HD2 TYR 9 3.475 -6.402 -6.989 90 HE1 TYR 9 HE1 TYR 9 2.230 -6.940 -2.192 91 HE2 TYR 9 HE2 TYR 9 4.323 -8.351 -5.687 92 HH TYR 9 HH TYR 9 3.554 -8.811 -2.223 93 H HIS 10 H HIS 10 4.432 -3.359 -4.018 94 HA HIS 10 HA HIS 10 6.656 -3.222 -6.023 95 HB2 HIS 10 HB2 HIS 10 6.359 -1.891 -3.319 96 HB3 HIS 10 HB3 HIS 10 7.924 -2.098 -4.099 97 HD1 HIS 10 HD1 HIS 10 8.549 -0.448 -6.051 98 HD2 HIS 10 HD2 HIS 10 4.565 -0.262 -4.734 99 HE1 HIS 10 HE1 HIS 10 7.511 1.580 -7.203 100 H GLY 11 H GLY 11 5.280 -5.596 -4.361 101 HA2 GLY 11 HA2 GLY 11 6.090 -7.721 -3.836 102 HA3 GLY 11 HA3 GLY 11 7.610 -7.210 -4.546 103 HA PRO 12 HA PRO 12 8.563 -8.051 -0.125 104 HB2 PRO 12 HB2 PRO 12 11.213 -8.721 -1.387 105 HB3 PRO 12 HB3 PRO 12 10.318 -9.586 -0.097 106 HG2 PRO 12 HG2 PRO 12 10.277 -10.523 -2.625 107 HG3 PRO 12 HG3 PRO 12 8.738 -10.442 -1.698 108 HD2 PRO 12 HD2 PRO 12 9.826 -8.424 -3.702 109 HD3 PRO 12 HD3 PRO 12 8.213 -9.200 -3.650 110 H LEU 13 H LEU 13 8.567 -5.350 -1.040 111 HA LEU 13 HA LEU 13 11.056 -4.010 -0.489 112 HB2 LEU 13 HB2 LEU 13 8.895 -3.226 -1.787 113 HB3 LEU 13 HB3 LEU 13 8.289 -2.815 -0.190 114 HG LEU 13 HG LEU 13 10.335 -1.342 0.114 115 HD11 LEU 13 HD11 LEU 13 11.813 -2.233 -1.627 116 HD12 LEU 13 HD12 LEU 13 10.583 -1.931 -2.875 117 HD13 LEU 13 HD13 LEU 13 11.378 -0.574 -2.068 118 HD21 LEU 13 HD21 LEU 13 8.468 -0.660 -2.191 119 HD22 LEU 13 HD22 LEU 13 8.096 -0.460 -0.465 120 HD23 LEU 13 HD23 LEU 13 9.394 0.489 -1.203 121 H SER 14 H SER 14 11.822 -3.089 1.419 122 HA SER 14 HA SER 14 10.518 -3.905 3.968 123 HB2 SER 14 HB2 SER 14 12.941 -4.397 3.532 124 HB3 SER 14 HB3 SER 14 13.241 -2.644 3.602 125 HG SER 14 HG SER 14 13.517 -3.760 5.637 126 H ARG 15 H ARG 15 10.800 -2.249 5.785 127 HA ARG 15 HA ARG 15 9.182 0.088 5.314 128 HB2 ARG 15 HB2 ARG 15 11.097 -0.648 7.575 129 HB3 ARG 15 HB3 ARG 15 10.209 0.875 7.515 130 HG2 ARG 15 HG2 ARG 15 8.055 -0.465 7.348 131 HG3 ARG 15 HG3 ARG 15 9.029 -1.922 7.641 132 HD2 ARG 15 HD2 ARG 15 8.044 -1.116 9.743 133 HD3 ARG 15 HD3 ARG 15 9.812 -0.943 9.783 134 HE ARG 15 HE ARG 15 8.549 1.482 8.822 135 HH11 ARG 15 HH11 ARG 15 8.914 -0.190 11.873 136 HH12 ARG 15 HH12 ARG 15 9.012 1.300 12.775 137 HH21 ARG 15 HH21 ARG 15 8.993 3.311 9.971 138 HH22 ARG 15 HH22 ARG 15 8.956 3.246 11.716 139 H THR 16 H THR 16 12.735 -0.074 5.890 140 HA THR 16 HA THR 16 13.202 2.646 5.658 141 HB THR 16 HB THR 16 15.176 0.559 4.668 142 HG1 THR 16 HG1 THR 16 15.735 0.320 6.842 143 HG21 THR 16 HG21 THR 16 15.959 2.879 4.473 144 HG22 THR 16 HG22 THR 16 15.474 3.213 6.152 145 HG23 THR 16 HG23 THR 16 16.809 2.085 5.804 146 H ASP 17 H ASP 17 13.030 0.317 2.972 147 HA ASP 17 HA ASP 17 13.808 2.165 0.880 148 HB2 ASP 17 HB2 ASP 17 12.260 -0.450 0.867 149 HB3 ASP 17 HB3 ASP 17 12.775 0.400 -0.583 150 H ALA 18 H ALA 18 10.616 1.079 2.154 151 HA ALA 18 HA ALA 18 9.020 2.655 0.370 152 HB1 ALA 18 HB1 ALA 18 8.165 0.720 1.650 153 HB2 ALA 18 HB2 ALA 18 8.435 1.585 3.173 154 HB3 ALA 18 HB3 ALA 18 7.228 2.182 2.021 155 H GLU 19 H GLU 19 10.320 3.342 3.635 156 HA GLU 19 HA GLU 19 9.128 5.908 3.987 157 HB2 GLU 19 HB2 GLU 19 11.628 4.672 5.161 158 HB3 GLU 19 HB3 GLU 19 10.964 6.220 5.688 159 HG2 GLU 19 HG2 GLU 19 8.880 5.181 6.384 160 HG3 GLU 19 HG3 GLU 19 9.391 3.615 5.793 161 H ASN 20 H ASN 20 12.388 5.054 2.660 162 HA ASN 20 HA ASN 20 13.100 7.815 2.166 163 HB2 ASN 20 HB2 ASN 20 14.161 5.139 1.201 164 HB3 ASN 20 HB3 ASN 20 14.723 6.642 0.479 165 HD21 ASN 20 HD22 ASN 20 14.644 4.806 3.510 166 HD22 ASN 20 HD21 ASN 20 15.913 5.765 4.280 167 H SER 21 H SER 21 11.331 5.432 0.190 168 HA SER 21 HA SER 21 11.259 7.052 -2.203 169 HB2 SER 21 HB2 SER 21 9.326 4.881 -1.289 170 HB3 SER 21 HB3 SER 21 9.444 5.576 -2.914 171 HG SER 21 HG SER 21 11.348 3.995 -1.519 172 H LEU 22 H LEU 22 8.843 6.609 0.448 173 HA LEU 22 HA LEU 22 7.038 8.539 -0.750 174 HB2 LEU 22 HB2 LEU 22 7.044 6.706 1.585 175 HB3 LEU 22 HB3 LEU 22 6.056 8.129 1.745 176 HG LEU 22 HG LEU 22 4.731 7.594 -0.169 177 HD11 LEU 22 HD11 LEU 22 6.284 6.563 -1.737 178 HD12 LEU 22 HD12 LEU 22 6.574 5.215 -0.611 179 HD13 LEU 22 HD13 LEU 22 4.979 5.419 -1.376 180 HD21 LEU 22 HD21 LEU 22 5.201 5.052 1.447 181 HD22 LEU 22 HD22 LEU 22 4.395 6.498 2.073 182 HD23 LEU 22 HD23 LEU 22 3.686 5.619 0.702 183 H LEU 23 H LEU 23 9.588 8.889 1.694 184 HA LEU 23 HA LEU 23 8.721 11.508 2.556 185 HB2 LEU 23 HB2 LEU 23 10.260 10.020 3.815 186 HB3 LEU 23 HB3 LEU 23 11.477 10.217 2.550 187 HG LEU 23 HG LEU 23 11.650 12.637 3.100 188 HD11 LEU 23 HD11 LEU 23 9.400 13.095 3.988 189 HD12 LEU 23 HD12 LEU 23 9.676 11.965 5.334 190 HD13 LEU 23 HD13 LEU 23 10.614 13.469 5.210 191 HD21 LEU 23 HD21 LEU 23 11.931 10.794 5.507 192 HD22 LEU 23 HD22 LEU 23 13.117 10.989 4.196 193 HD23 LEU 23 HD23 LEU 23 12.757 12.352 5.270 194 H ARG 24 H ARG 24 10.500 10.389 -0.258 195 HA ARG 24 HA ARG 24 11.266 13.074 -1.160 196 HB2 ARG 24 HB2 ARG 24 12.560 11.001 -1.668 197 HB3 ARG 24 HB3 ARG 24 11.198 10.394 -2.614 198 HG2 ARG 24 HG2 ARG 24 11.456 12.298 -4.205 199 HG3 ARG 24 HG3 ARG 24 12.771 12.940 -3.207 200 HD2 ARG 24 HD2 ARG 24 13.727 11.763 -5.085 201 HD3 ARG 24 HD3 ARG 24 14.067 10.857 -3.601 202 HE ARG 24 HE ARG 24 11.639 9.986 -4.993 203 HH11 ARG 24 HH11 ARG 24 15.107 9.499 -4.939 204 HH12 ARG 24 HH12 ARG 24 14.987 7.913 -5.653 205 HH21 ARG 24 HH21 ARG 24 11.557 7.963 -5.901 206 HH22 ARG 24 HH22 ARG 24 13.024 7.075 -6.182 207 H MET 25 H MET 25 8.567 10.891 -1.685 208 HA MET 25 HA MET 25 7.333 12.440 -3.825 209 HB2 MET 25 HB2 MET 25 6.418 10.110 -2.102 210 HB3 MET 25 HB3 MET 25 5.408 10.812 -3.343 211 HG2 MET 25 HG2 MET 25 8.154 9.681 -3.832 212 HG3 MET 25 HG3 MET 25 6.669 8.800 -4.099 213 HE1 MET 25 HE1 MET 25 5.265 8.886 -6.260 214 HE2 MET 25 HE2 MET 25 4.659 10.429 -5.616 215 HE3 MET 25 HE3 MET 25 5.177 10.316 -7.311 216 HA PRO 26 HA PRO 26 4.759 15.146 -1.364 217 HB2 PRO 26 HB2 PRO 26 2.485 15.413 -2.840 218 HB3 PRO 26 HB3 PRO 26 4.069 16.057 -3.380 219 HG2 PRO 26 HG2 PRO 26 2.769 13.441 -4.144 220 HG3 PRO 26 HG3 PRO 26 3.468 14.681 -5.240 221 HD2 PRO 26 HD2 PRO 26 4.864 12.486 -4.476 222 HD3 PRO 26 HD3 PRO 26 5.688 14.051 -4.668 223 H GLU 27 H GLU 27 2.758 15.281 -0.146 224 HA GLU 27 HA GLU 27 1.958 12.994 1.312 225 HB2 GLU 27 HB2 GLU 27 1.718 15.377 2.028 226 HB3 GLU 27 HB3 GLU 27 0.491 15.603 0.786 227 HG2 GLU 27 HG2 GLU 27 -0.801 13.676 2.056 228 HG3 GLU 27 HG3 GLU 27 0.314 14.032 3.374 229 H GLY 28 H GLY 28 0.495 11.444 1.068 230 HA2 GLY 28 HA2 GLY 28 -1.533 10.463 0.378 231 HA3 GLY 28 HA3 GLY 28 -1.686 11.667 -0.899 232 H THR 29 H THR 29 1.438 10.506 -1.029 233 HA THR 29 HA THR 29 0.924 8.661 -3.254 234 HB THR 29 HB THR 29 3.619 9.268 -1.945 235 HG1 THR 29 HG1 THR 29 2.921 11.162 -2.779 236 HG21 THR 29 HG21 THR 29 3.567 7.217 -3.318 237 HG22 THR 29 HG22 THR 29 2.829 8.122 -4.660 238 HG23 THR 29 HG23 THR 29 4.471 8.500 -4.104 239 H PHE 30 H PHE 30 0.847 6.424 -3.077 240 HA PHE 30 HA PHE 30 1.709 5.215 -0.503 241 HB2 PHE 30 HB2 PHE 30 -0.335 4.023 -0.282 242 HB3 PHE 30 HB3 PHE 30 -0.709 5.724 -0.450 243 HD1 PHE 30 HD1 PHE 30 -1.803 6.580 -2.523 244 HD2 PHE 30 HD2 PHE 30 -0.903 2.406 -2.024 245 HE1 PHE 30 HE1 PHE 30 -3.208 6.042 -4.497 246 HE2 PHE 30 HE2 PHE 30 -2.364 1.857 -3.959 247 HZ PHE 30 HZ PHE 30 -3.442 3.677 -5.254 248 H LEU 31 H LEU 31 1.825 2.911 -0.484 249 HA LEU 31 HA LEU 31 2.028 1.482 -3.030 250 HB2 LEU 31 HB2 LEU 31 4.311 0.747 -2.765 251 HB3 LEU 31 HB3 LEU 31 4.238 2.489 -2.837 252 HG LEU 31 HG LEU 31 4.402 2.404 -0.225 253 HD11 LEU 31 HD11 LEU 31 4.158 -0.033 0.193 254 HD12 LEU 31 HD12 LEU 31 5.477 -0.373 -0.945 255 HD13 LEU 31 HD13 LEU 31 5.787 0.476 0.585 256 HD21 LEU 31 HD21 LEU 31 6.730 1.545 -1.988 257 HD22 LEU 31 HD22 LEU 31 6.141 3.202 -1.737 258 HD23 LEU 31 HD23 LEU 31 6.847 2.321 -0.388 259 H VAL 32 H VAL 32 2.221 -0.825 -2.758 260 HA VAL 32 HA VAL 32 1.684 -1.836 -0.015 261 HB VAL 32 HB VAL 32 0.435 -2.967 -2.526 262 HG11 VAL 32 HG11 VAL 32 0.848 -4.757 -0.913 263 HG12 VAL 32 HG12 VAL 32 0.168 -3.770 0.403 264 HG13 VAL 32 HG13 VAL 32 -0.869 -4.360 -0.906 265 HG21 VAL 32 HG21 VAL 32 -0.794 -1.460 -0.171 266 HG22 VAL 32 HG22 VAL 32 -0.663 -0.855 -1.837 267 HG23 VAL 32 HG23 VAL 32 -1.706 -2.236 -1.485 268 H ARG 33 H ARG 33 2.800 -3.560 0.627 269 HA ARG 33 HA ARG 33 4.733 -4.888 -1.224 270 HB2 ARG 33 HB2 ARG 33 6.566 -4.440 0.335 271 HB3 ARG 33 HB3 ARG 33 5.835 -2.932 -0.216 272 HG2 ARG 33 HG2 ARG 33 4.483 -2.966 1.993 273 HG3 ARG 33 HG3 ARG 33 5.554 -4.278 2.495 274 HD2 ARG 33 HD2 ARG 33 7.500 -2.646 2.036 275 HD3 ARG 33 HD3 ARG 33 6.286 -1.409 1.779 276 HE ARG 33 HE ARG 33 5.929 -1.262 4.054 277 HH11 ARG 33 HH11 ARG 33 7.857 -4.190 3.529 278 HH12 ARG 33 HH12 ARG 33 7.900 -4.509 5.262 279 HH21 ARG 33 HH21 ARG 33 6.176 -1.788 6.245 280 HH22 ARG 33 HH22 ARG 33 7.048 -3.250 6.664 281 H ASP 34 H ASP 34 5.618 -6.866 -0.435 282 HA ASP 34 HA ASP 34 3.845 -8.537 1.194 283 HB2 ASP 34 HB2 ASP 34 5.161 -9.537 -0.579 284 HB3 ASP 34 HB3 ASP 34 6.655 -8.954 0.137 285 H SER 35 H SER 35 3.940 -8.954 3.333 286 HA SER 35 HA SER 35 4.907 -6.829 4.898 287 HB2 SER 35 HB2 SER 35 2.869 -8.000 5.433 288 HB3 SER 35 HB3 SER 35 3.762 -9.490 5.770 289 HG SER 35 HG SER 35 3.207 -8.112 7.632 290 H THR 36 H THR 36 6.454 -6.439 6.235 291 HA THR 36 HA THR 36 8.817 -8.127 6.465 292 HB THR 36 HB THR 36 9.304 -6.146 8.232 293 HG1 THR 36 HG1 THR 36 7.415 -5.057 8.107 294 HG21 THR 36 HG21 THR 36 10.651 -6.539 6.272 295 HG22 THR 36 HG22 THR 36 9.373 -5.955 5.195 296 HG23 THR 36 HG23 THR 36 10.197 -4.830 6.309 297 H SER 37 H SER 37 5.820 -8.138 8.120 298 HA SER 37 HA SER 37 6.888 -9.274 10.621 299 HB2 SER 37 HB2 SER 37 4.062 -9.440 9.520 300 HB3 SER 37 HB3 SER 37 4.596 -9.804 11.164 301 HG SER 37 HG SER 37 5.266 -7.543 11.278 302 H SER 38 H SER 38 5.084 -10.569 7.794 303 HA SER 38 HA SER 38 6.435 -13.182 7.944 304 HB2 SER 38 HB2 SER 38 3.419 -12.871 8.285 305 HB3 SER 38 HB3 SER 38 4.254 -14.401 7.974 306 HG SER 38 HG SER 38 3.821 -14.085 10.203 307 HA PRO 39 HA PRO 39 5.630 -12.723 3.536 308 HB2 PRO 39 HB2 PRO 39 6.064 -15.264 2.619 309 HB3 PRO 39 HB3 PRO 39 7.382 -14.183 3.171 310 HG2 PRO 39 HG2 PRO 39 5.965 -16.350 4.760 311 HG3 PRO 39 HG3 PRO 39 7.730 -16.084 4.587 312 HD2 PRO 39 HD2 PRO 39 6.344 -15.158 6.737 313 HD3 PRO 39 HD3 PRO 39 7.678 -14.203 6.021 314 H GLY 40 H GLY 40 3.920 -12.941 2.128 315 HA2 GLY 40 HA2 GLY 40 1.931 -13.844 1.221 316 HA3 GLY 40 HA3 GLY 40 1.729 -14.894 2.621 317 H ASP 41 H ASP 41 2.299 -12.275 4.277 318 HA ASP 41 HA ASP 41 -0.437 -11.060 4.168 319 HB2 ASP 41 HB2 ASP 41 1.782 -10.887 6.249 320 HB3 ASP 41 HB3 ASP 41 0.309 -9.921 6.274 321 H TYR 42 H TYR 42 -0.467 -8.613 4.205 322 HA TYR 42 HA TYR 42 1.859 -7.484 2.696 323 HB2 TYR 42 HB2 TYR 42 -1.078 -7.032 2.117 324 HB3 TYR 42 HB3 TYR 42 0.281 -6.331 1.250 325 HD1 TYR 42 HD1 TYR 42 1.933 -7.990 0.142 326 HD2 TYR 42 HD2 TYR 42 -1.994 -9.100 1.506 327 HE1 TYR 42 HE1 TYR 42 1.992 -10.034 -1.326 328 HE2 TYR 42 HE2 TYR 42 -1.946 -11.118 0.046 329 HH TYR 42 HH TYR 42 -0.737 -12.343 -1.466 330 H VAL 43 H VAL 43 1.929 -5.132 2.609 331 HA VAL 43 HA VAL 43 0.726 -3.725 4.954 332 HB VAL 43 HB VAL 43 3.665 -3.574 4.172 333 HG11 VAL 43 HG11 VAL 43 2.880 -1.396 4.998 334 HG12 VAL 43 HG12 VAL 43 2.099 -2.182 6.390 335 HG13 VAL 43 HG13 VAL 43 3.862 -2.179 6.236 336 HG21 VAL 43 HG21 VAL 43 2.368 -4.694 6.684 337 HG22 VAL 43 HG22 VAL 43 3.134 -5.647 5.402 338 HG23 VAL 43 HG23 VAL 43 4.116 -4.551 6.379 339 H LEU 44 H LEU 44 -0.083 -1.818 4.457 340 HA LEU 44 HA LEU 44 0.392 -0.536 1.811 341 HB2 LEU 44 HB2 LEU 44 -1.942 -0.907 2.461 342 HB3 LEU 44 HB3 LEU 44 -1.676 -0.149 4.010 343 HG LEU 44 HG LEU 44 -1.397 2.033 2.965 344 HD11 LEU 44 HD11 LEU 44 -0.398 1.593 0.838 345 HD12 LEU 44 HD12 LEU 44 -1.777 0.593 0.325 346 HD13 LEU 44 HD13 LEU 44 -1.962 2.346 0.542 347 HD21 LEU 44 HD21 LEU 44 -3.835 0.564 1.858 348 HD22 LEU 44 HD22 LEU 44 -3.680 1.164 3.520 349 HD23 LEU 44 HD23 LEU 44 -3.706 2.307 2.165 350 H SER 45 H SER 45 1.813 1.126 1.753 351 HA SER 45 HA SER 45 2.470 2.563 4.294 352 HB2 SER 45 HB2 SER 45 4.358 2.164 1.966 353 HB3 SER 45 HB3 SER 45 4.711 2.930 3.523 354 HG SER 45 HG SER 45 3.969 0.209 3.080 355 H CYS 46 H CYS 46 2.316 4.784 4.267 356 HA CYS 46 HA CYS 46 1.581 6.130 1.695 357 HB2 CYS 46 HB2 CYS 46 0.027 6.282 4.313 358 HB3 CYS 46 HB3 CYS 46 -0.310 7.223 2.854 359 HG CYS 46 HG CYS 46 -2.127 5.362 3.115 360 H SER 47 H SER 47 2.225 8.289 1.473 361 HA SER 47 HA SER 47 3.921 9.462 3.549 362 HB2 SER 47 HB2 SER 47 4.090 11.297 1.878 363 HB3 SER 47 HB3 SER 47 4.682 9.733 1.332 364 HG SER 47 HG SER 47 3.271 11.037 -0.127 365 H GLU 48 H GLU 48 2.830 10.127 5.252 366 HA GLU 48 HA GLU 48 0.668 12.164 4.906 367 HB2 GLU 48 HB2 GLU 48 0.455 9.610 6.555 368 HB3 GLU 48 HB3 GLU 48 -0.537 11.023 6.859 369 HG2 GLU 48 HG2 GLU 48 -0.529 9.334 4.339 370 HG3 GLU 48 HG3 GLU 48 -1.809 9.467 5.539 371 H ASN 49 H ASN 49 0.325 13.614 6.570 372 HA ASN 49 HA ASN 49 0.866 14.997 8.260 373 HB2 ASN 49 HB2 ASN 49 -0.148 13.049 9.354 374 HB3 ASN 49 HB3 ASN 49 1.437 12.335 9.611 375 HD21 ASN 49 HD22 ASN 49 -0.316 15.437 10.314 376 HD22 ASN 49 HD21 ASN 49 0.336 15.554 11.939 377 H GLY 50 H GLY 50 3.001 14.678 6.384 378 HA2 GLY 50 HA2 GLY 50 5.124 15.546 6.104 379 HA3 GLY 50 HA3 GLY 50 5.142 15.972 7.816 380 H LYS 51 H LYS 51 4.491 12.668 7.262 381 HA LYS 51 HA LYS 51 7.297 11.711 7.472 382 HB2 LYS 51 HB2 LYS 51 6.699 10.304 9.404 383 HB3 LYS 51 HB3 LYS 51 6.507 12.010 9.768 384 HG2 LYS 51 HG2 LYS 51 4.061 11.829 9.448 385 HG3 LYS 51 HG3 LYS 51 4.229 10.101 9.076 386 HD2 LYS 51 HD2 LYS 51 5.086 9.716 11.375 387 HD3 LYS 51 HD3 LYS 51 4.962 11.463 11.703 388 HE2 LYS 51 HE2 LYS 51 2.505 11.323 11.114 389 HE3 LYS 51 HE3 LYS 51 2.667 9.567 11.008 390 HZ1 LYS 51 HZ1 LYS 51 3.343 9.594 13.373 391 HZ2 LYS 51 HZ2 LYS 51 3.145 11.221 13.433 392 HZ3 LYS 51 HZ3 LYS 51 1.855 10.253 13.181 393 H VAL 52 H VAL 52 6.758 9.047 7.813 394 HA VAL 52 HA VAL 52 4.868 8.256 5.639 395 HB VAL 52 HB VAL 52 7.583 6.984 6.100 396 HG11 VAL 52 HG11 VAL 52 5.967 5.301 5.391 397 HG12 VAL 52 HG12 VAL 52 5.323 6.386 4.142 398 HG13 VAL 52 HG13 VAL 52 6.953 5.712 3.992 399 HG21 VAL 52 HG21 VAL 52 6.543 8.787 3.882 400 HG22 VAL 52 HG22 VAL 52 7.927 9.076 4.954 401 HG23 VAL 52 HG23 VAL 52 8.017 7.802 3.745 402 H THR 53 H THR 53 3.495 6.688 6.150 403 HA THR 53 HA THR 53 3.744 5.332 8.807 404 HB THR 53 HB THR 53 1.270 5.427 8.904 405 HG1 THR 53 HG1 THR 53 0.162 6.649 7.513 406 HG21 THR 53 HG21 THR 53 2.641 7.137 10.069 407 HG22 THR 53 HG22 THR 53 2.575 8.173 8.622 408 HG23 THR 53 HG23 THR 53 1.090 7.791 9.506 409 H HIS 54 H HIS 54 2.582 3.308 9.020 410 HA HIS 54 HA HIS 54 2.341 1.730 6.501 411 HB2 HIS 54 HB2 HIS 54 3.769 0.793 9.008 412 HB3 HIS 54 HB3 HIS 54 3.598 -0.077 7.493 413 HD1 HIS 54 HD1 HIS 54 5.017 1.230 5.323 414 HD2 HIS 54 HD2 HIS 54 5.944 2.147 9.329 415 HE1 HIS 54 HE1 HIS 54 7.368 2.210 5.312 416 H TYR 55 H TYR 55 0.739 0.249 6.483 417 HA TYR 55 HA TYR 55 -0.862 -0.305 8.947 418 HB2 TYR 55 HB2 TYR 55 -1.987 0.366 6.204 419 HB3 TYR 55 HB3 TYR 55 -2.881 0.113 7.697 420 HD1 TYR 55 HD2 TYR 55 -2.607 1.801 9.609 421 HD2 TYR 55 HD1 TYR 55 -1.115 2.515 5.621 422 HE1 TYR 55 HE2 TYR 55 -2.432 4.234 10.107 423 HE2 TYR 55 HE1 TYR 55 -0.948 4.947 6.124 424 HH TYR 55 HH TYR 55 -1.851 6.288 9.322 425 H LYS 56 H LYS 56 -1.295 -2.439 9.221 426 HA LYS 56 HA LYS 56 -0.278 -4.378 7.305 427 HB2 LYS 56 HB2 LYS 56 -1.644 -4.550 10.005 428 HB3 LYS 56 HB3 LYS 56 -1.367 -6.002 9.051 429 HG2 LYS 56 HG2 LYS 56 0.926 -4.080 9.561 430 HG3 LYS 56 HG3 LYS 56 0.436 -5.207 10.817 431 HD2 LYS 56 HD2 LYS 56 1.040 -6.168 7.992 432 HD3 LYS 56 HD3 LYS 56 2.333 -5.931 9.167 433 HE2 LYS 56 HE2 LYS 56 -0.104 -7.680 9.733 434 HE3 LYS 56 HE3 LYS 56 1.343 -8.299 8.942 435 HZ1 LYS 56 HZ1 LYS 56 2.651 -7.637 10.880 436 HZ2 LYS 56 HZ2 LYS 56 1.319 -7.060 11.642 437 HZ3 LYS 56 HZ3 LYS 56 1.451 -8.656 11.335 438 H LEU 57 H LEU 57 -1.202 -5.399 5.776 439 HA LEU 57 HA LEU 57 -4.178 -5.563 5.464 440 HB2 LEU 57 HB2 LEU 57 -1.861 -5.661 3.514 441 HB3 LEU 57 HB3 LEU 57 -3.481 -6.169 3.056 442 HG LEU 57 HG LEU 57 -3.016 -3.415 4.192 443 HD11 LEU 57 HD11 LEU 57 -1.375 -3.450 2.481 444 HD12 LEU 57 HD12 LEU 57 -2.355 -4.442 1.416 445 HD13 LEU 57 HD13 LEU 57 -2.798 -2.749 1.674 446 HD21 LEU 57 HD21 LEU 57 -4.921 -4.428 2.041 447 HD22 LEU 57 HD22 LEU 57 -5.353 -4.275 3.757 448 HD23 LEU 57 HD23 LEU 57 -4.941 -2.832 2.817 449 H SER 58 H SER 58 -4.181 -7.193 7.028 450 HA SER 58 HA SER 58 -2.488 -9.579 6.877 451 HB2 SER 58 HB2 SER 58 -4.826 -8.829 8.665 452 HB3 SER 58 HB3 SER 58 -3.862 -10.304 8.842 453 HG SER 58 HG SER 58 -3.102 -8.592 10.186 454 H ALA 59 H ALA 59 -3.047 -11.648 6.245 455 HA ALA 59 HA ALA 59 -5.443 -11.968 4.581 456 HB1 ALA 59 HB1 ALA 59 -3.303 -12.941 3.896 457 HB2 ALA 59 HB2 ALA 59 -3.263 -13.936 5.370 458 HB3 ALA 59 HB3 ALA 59 -4.526 -14.204 4.148 459 H GLU 60 H GLU 60 -7.357 -12.725 5.212 460 HA GLU 60 HA GLU 60 -7.644 -14.490 7.602 461 HB2 GLU 60 HB2 GLU 60 -8.018 -12.105 8.258 462 HB3 GLU 60 HB3 GLU 60 -9.309 -11.992 7.057 463 HG2 GLU 60 HG2 GLU 60 -10.495 -13.879 8.243 464 HG3 GLU 60 HG3 GLU 60 -9.226 -13.858 9.472 465 H GLU 61 H GLU 61 -8.530 -16.317 6.798 466 HA GLU 61 HA GLU 61 -9.618 -17.777 5.445 467 HB2 GLU 61 HB2 GLU 61 -11.850 -15.735 5.611 468 HB3 GLU 61 HB3 GLU 61 -12.017 -17.440 5.198 469 HG2 GLU 61 HG2 GLU 61 -11.096 -16.352 7.893 470 HG3 GLU 61 HG3 GLU 61 -12.688 -16.989 7.518 471 H GLY 62 H GLY 62 -7.950 -16.005 4.014 472 HA2 GLY 62 HA2 GLY 62 -7.277 -15.866 1.778 473 HA3 GLY 62 HA3 GLY 62 -8.850 -16.467 1.253 474 H LYS 63 H LYS 63 -9.434 -13.931 3.351 475 HA LYS 63 HA LYS 63 -9.575 -11.832 1.214 476 HB2 LYS 63 HB2 LYS 63 -11.333 -12.278 3.671 477 HB3 LYS 63 HB3 LYS 63 -11.458 -10.918 2.559 478 HG2 LYS 63 HG2 LYS 63 -11.762 -12.619 0.673 479 HG3 LYS 63 HG3 LYS 63 -11.950 -13.850 1.935 480 HD2 LYS 63 HD2 LYS 63 -13.833 -12.449 2.897 481 HD3 LYS 63 HD3 LYS 63 -13.715 -11.404 1.482 482 HE2 LYS 63 HE2 LYS 63 -14.436 -14.364 1.553 483 HE3 LYS 63 HE3 LYS 63 -15.514 -13.018 1.183 484 HZ1 LYS 63 HZ1 LYS 63 -14.136 -12.610 -0.853 485 HZ2 LYS 63 HZ2 LYS 63 -13.239 -13.928 -0.499 486 HZ3 LYS 63 HZ3 LYS 63 -14.821 -14.091 -0.846 487 H ILE 64 H ILE 64 -9.692 -9.556 2.376 488 HA ILE 64 HA ILE 64 -7.061 -9.334 3.789 489 HB ILE 64 HB ILE 64 -8.553 -7.493 1.898 490 HG12 ILE 64 HG12 ILE 64 -7.384 -9.312 0.752 491 HG13 ILE 64 HG13 ILE 64 -6.670 -7.754 0.408 492 HG21 ILE 64 HG21 ILE 64 -7.537 -6.025 3.515 493 HG22 ILE 64 HG22 ILE 64 -5.998 -6.910 3.444 494 HG23 ILE 64 HG23 ILE 64 -6.588 -5.985 2.039 495 HD11 ILE 64 HD11 ILE 64 -4.801 -8.242 1.992 496 HD12 ILE 64 HD12 ILE 64 -5.512 -9.846 2.306 497 HD13 ILE 64 HD13 ILE 64 -4.928 -9.430 0.687 498 H ARG 65 H ARG 65 -7.093 -8.811 5.840 499 HA ARG 65 HA ARG 65 -9.237 -7.045 6.960 500 HB2 ARG 65 HB2 ARG 65 -9.016 -9.276 8.031 501 HB3 ARG 65 HB3 ARG 65 -7.313 -8.961 8.328 502 HG2 ARG 65 HG2 ARG 65 -8.385 -8.589 10.388 503 HG3 ARG 65 HG3 ARG 65 -7.991 -6.993 9.778 504 HD2 ARG 65 HD2 ARG 65 -10.167 -6.815 10.686 505 HD3 ARG 65 HD3 ARG 65 -10.418 -6.853 8.936 506 HE ARG 65 HE ARG 65 -10.546 -9.529 9.904 507 HH11 ARG 65 HH11 ARG 65 -12.536 -6.618 10.385 508 HH12 ARG 65 HH12 ARG 65 -13.946 -7.592 10.659 509 HH21 ARG 65 HH21 ARG 65 -12.408 -10.615 10.118 510 HH22 ARG 65 HH22 ARG 65 -13.883 -9.774 10.544 511 H ILE 66 H ILE 66 -8.705 -5.014 7.446 512 HA ILE 66 HA ILE 66 -5.942 -4.321 8.230 513 HB ILE 66 HB ILE 66 -5.817 -3.830 5.950 514 HG12 ILE 66 HG12 ILE 66 -6.447 -1.149 7.207 515 HG13 ILE 66 HG13 ILE 66 -5.038 -2.087 7.680 516 HG21 ILE 66 HG21 ILE 66 -8.234 -3.806 5.354 517 HG22 ILE 66 HG22 ILE 66 -8.379 -2.199 6.098 518 HG23 ILE 66 HG23 ILE 66 -7.364 -2.448 4.663 519 HD11 ILE 66 HD11 ILE 66 -4.099 -1.960 5.458 520 HD12 ILE 66 HD12 ILE 66 -5.547 -1.153 4.822 521 HD13 ILE 66 HD13 ILE 66 -4.523 -0.329 6.001 522 H ASP 67 H ASP 67 -5.937 -3.279 10.042 523 HA ASP 67 HA ASP 67 -6.724 -2.561 12.022 524 HB2 ASP 67 HB2 ASP 67 -6.696 -0.409 10.805 525 HB3 ASP 67 HB3 ASP 67 -8.403 -0.610 10.422 526 H THR 68 H THR 68 -9.974 -1.621 11.439 527 HA THR 68 HA THR 68 -11.007 -4.242 12.399 528 HB THR 68 HB THR 68 -13.141 -3.016 12.673 529 HG1 THR 68 HG1 THR 68 -13.069 -0.756 12.478 530 HG21 THR 68 HG21 THR 68 -11.520 -3.161 14.553 531 HG22 THR 68 HG22 THR 68 -10.792 -1.626 14.034 532 HG23 THR 68 HG23 THR 68 -12.477 -1.671 14.595 533 H HIS 69 H HIS 69 -10.680 -2.601 9.368 534 HA HIS 69 HA HIS 69 -13.237 -3.381 8.246 535 HB2 HIS 69 HB2 HIS 69 -10.767 -2.173 6.948 536 HB3 HIS 69 HB3 HIS 69 -12.352 -2.349 6.206 537 HD1 HIS 69 HD1 HIS 69 -14.028 -0.367 6.599 538 HD2 HIS 69 HD2 HIS 69 -10.598 -0.329 9.037 539 HE1 HIS 69 HE1 HIS 69 -14.020 1.890 7.786 540 H LEU 70 H LEU 70 -13.670 -5.039 7.004 541 HA LEU 70 HA LEU 70 -11.494 -6.821 5.997 542 HB2 LEU 70 HB2 LEU 70 -13.166 -7.847 7.625 543 HB3 LEU 70 HB3 LEU 70 -14.393 -7.591 6.390 544 HG LEU 70 HG LEU 70 -12.878 -9.003 4.823 545 HD11 LEU 70 HD11 LEU 70 -10.828 -8.921 6.308 546 HD12 LEU 70 HD12 LEU 70 -11.697 -9.901 7.491 547 HD13 LEU 70 HD13 LEU 70 -11.334 -10.559 5.883 548 HD21 LEU 70 HD21 LEU 70 -14.107 -10.316 7.280 549 HD22 LEU 70 HD22 LEU 70 -14.968 -9.856 5.793 550 HD23 LEU 70 HD23 LEU 70 -13.730 -11.122 5.741 551 H PHE 71 H PHE 71 -11.237 -7.029 3.890 552 HA PHE 71 HA PHE 71 -13.312 -6.120 1.943 553 HB2 PHE 71 HB2 PHE 71 -10.306 -5.663 1.768 554 HB3 PHE 71 HB3 PHE 71 -11.495 -5.258 0.542 555 HD1 PHE 71 HD1 PHE 71 -13.373 -3.560 1.200 556 HD2 PHE 71 HD2 PHE 71 -9.739 -4.098 3.459 557 HE1 PHE 71 HE1 PHE 71 -13.727 -1.364 2.298 558 HE2 PHE 71 HE2 PHE 71 -10.071 -1.867 4.513 559 HZ PHE 71 HZ PHE 71 -12.075 -0.523 3.963 560 H ASP 72 H ASP 72 -13.267 -7.212 -0.086 561 HA ASP 72 HA ASP 72 -12.654 -9.980 0.085 562 HB2 ASP 72 HB2 ASP 72 -14.452 -9.063 -1.300 563 HB3 ASP 72 HB3 ASP 72 -13.281 -8.205 -2.305 564 H ASN 73 H ASN 73 -10.808 -7.312 -1.283 565 HA ASN 73 HA ASN 73 -8.390 -8.928 -1.619 566 HB2 ASN 73 HB2 ASN 73 -8.214 -8.409 -4.055 567 HB3 ASN 73 HB3 ASN 73 -9.574 -9.463 -3.689 568 HD21 ASN 73 HD22 ASN 73 -11.678 -8.775 -4.291 569 HD22 ASN 73 HD21 ASN 73 -11.941 -7.190 -5.016 570 H LEU 74 H LEU 74 -6.619 -7.516 -2.636 571 HA LEU 74 HA LEU 74 -6.205 -5.244 -0.977 572 HB2 LEU 74 HB2 LEU 74 -4.812 -6.205 -3.506 573 HB3 LEU 74 HB3 LEU 74 -4.247 -4.858 -2.521 574 HG LEU 74 HG LEU 74 -4.472 -7.745 -1.599 575 HD11 LEU 74 HD11 LEU 74 -2.619 -7.307 -3.170 576 HD12 LEU 74 HD12 LEU 74 -2.074 -5.957 -2.148 577 HD13 LEU 74 HD13 LEU 74 -2.012 -7.621 -1.531 578 HD21 LEU 74 HD21 LEU 74 -3.532 -5.218 -0.199 579 HD22 LEU 74 HD22 LEU 74 -4.827 -6.302 0.335 580 HD23 LEU 74 HD23 LEU 74 -3.153 -6.857 0.392 581 H ASP 75 H ASP 75 -7.230 -5.378 -4.422 582 HA ASP 75 HA ASP 75 -6.993 -2.556 -4.880 583 HB2 ASP 75 HB2 ASP 75 -7.049 -4.271 -6.656 584 HB3 ASP 75 HB3 ASP 75 -8.729 -4.634 -6.268 585 H ALA 76 H ALA 76 -9.715 -4.533 -3.671 586 HA ALA 76 HA ALA 76 -11.629 -2.408 -3.501 587 HB1 ALA 76 HB1 ALA 76 -12.236 -4.787 -3.389 588 HB2 ALA 76 HB2 ALA 76 -11.350 -4.961 -1.858 589 HB3 ALA 76 HB3 ALA 76 -12.792 -3.929 -1.937 590 H ALA 77 H ALA 77 -9.114 -3.497 -1.172 591 HA ALA 77 HA ALA 77 -9.895 -1.699 0.934 592 HB1 ALA 77 HB1 ALA 77 -8.488 -3.745 1.220 593 HB2 ALA 77 HB2 ALA 77 -7.164 -2.935 0.360 594 HB3 ALA 77 HB3 ALA 77 -7.741 -2.287 1.909 595 H ILE 78 H ILE 78 -7.418 -1.386 -1.667 596 HA ILE 78 HA ILE 78 -6.578 1.284 -1.066 597 HB ILE 78 HB ILE 78 -6.725 -0.257 -3.687 598 HG12 ILE 78 HG12 ILE 78 -5.203 -1.322 -2.140 599 HG13 ILE 78 HG13 ILE 78 -4.301 -0.562 -3.426 600 HG21 ILE 78 HG21 ILE 78 -6.647 2.092 -4.296 601 HG22 ILE 78 HG22 ILE 78 -5.298 2.377 -3.183 602 HG23 ILE 78 HG23 ILE 78 -5.081 1.348 -4.607 603 HD11 ILE 78 HD11 ILE 78 -3.732 1.321 -1.849 604 HD12 ILE 78 HD12 ILE 78 -4.589 0.440 -0.562 605 HD13 ILE 78 HD13 ILE 78 -3.164 -0.272 -1.326 606 H THR 79 H THR 79 -9.131 0.169 -3.260 607 HA THR 79 HA THR 79 -10.119 2.700 -4.072 608 HB THR 79 HB THR 79 -11.687 0.107 -3.783 609 HG1 THR 79 HG1 THR 79 -10.039 -0.203 -5.162 610 HG21 THR 79 HG21 THR 79 -13.256 1.959 -4.111 611 HG22 THR 79 HG22 THR 79 -12.253 2.614 -5.427 612 HG23 THR 79 HG23 THR 79 -13.090 1.058 -5.620 613 H PHE 80 H PHE 80 -11.134 0.747 -1.195 614 HA PHE 80 HA PHE 80 -13.128 2.584 -0.306 615 HB2 PHE 80 HB2 PHE 80 -12.859 0.305 0.564 616 HB3 PHE 80 HB3 PHE 80 -11.324 0.743 1.303 617 HD1 PHE 80 HD2 PHE 80 -15.006 1.136 1.485 618 HD2 PHE 80 HD1 PHE 80 -11.240 2.157 3.317 619 HE1 PHE 80 HE2 PHE 80 -16.204 1.939 3.509 620 HE2 PHE 80 HE1 PHE 80 -12.438 2.969 5.335 621 HZ PHE 80 HZ PHE 80 -14.925 2.865 5.430 622 H TYR 81 H TYR 81 -9.593 2.473 0.452 623 HA TYR 81 HA TYR 81 -9.789 4.937 1.970 624 HB2 TYR 81 HB2 TYR 81 -7.378 3.347 1.106 625 HB3 TYR 81 HB3 TYR 81 -7.337 4.751 2.176 626 HD1 TYR 81 HD1 TYR 81 -9.339 4.561 4.117 627 HD2 TYR 81 HD2 TYR 81 -7.119 1.333 2.302 628 HE1 TYR 81 HE1 TYR 81 -9.790 3.136 6.102 629 HE2 TYR 81 HE2 TYR 81 -7.584 -0.091 4.291 630 HH TYR 81 HH TYR 81 -9.488 1.099 7.078 631 H MET 82 H MET 82 -9.766 4.532 -1.376 632 HA MET 82 HA MET 82 -8.604 7.191 -1.972 633 HB2 MET 82 HB2 MET 82 -10.284 5.240 -3.595 634 HB3 MET 82 HB3 MET 82 -9.798 6.812 -4.192 635 HG2 MET 82 HG2 MET 82 -7.724 4.830 -3.230 636 HG3 MET 82 HG3 MET 82 -8.428 4.739 -4.841 637 HE1 MET 82 HE1 MET 82 -5.488 4.784 -4.769 638 HE2 MET 82 HE2 MET 82 -6.409 4.980 -6.276 639 HE3 MET 82 HE3 MET 82 -5.054 6.073 -5.923 640 H GLU 83 H GLU 83 -11.816 5.730 -1.428 641 HA GLU 83 HA GLU 83 -13.269 8.242 -1.867 642 HB2 GLU 83 HB2 GLU 83 -14.108 5.475 -0.912 643 HB3 GLU 83 HB3 GLU 83 -15.229 6.809 -1.170 644 HG2 GLU 83 HG2 GLU 83 -13.458 5.599 -3.341 645 HG3 GLU 83 HG3 GLU 83 -15.139 5.182 -3.055 646 H HIS 84 H HIS 84 -12.075 6.466 0.938 647 HA HIS 84 HA HIS 84 -13.212 8.524 2.788 648 HB2 HIS 84 HB2 HIS 84 -12.822 5.554 3.311 649 HB3 HIS 84 HB3 HIS 84 -13.504 6.735 4.425 650 HD1 HIS 84 HD1 HIS 84 -15.975 7.831 3.532 651 HD2 HIS 84 HD2 HIS 84 -14.489 4.356 1.682 652 HE1 HIS 84 HE1 HIS 84 -17.936 6.800 2.272 653 H GLU 85 H GLU 85 -11.974 8.944 4.737 654 HA GLU 85 HA GLU 85 -9.104 9.007 4.281 655 HB2 GLU 85 HB2 GLU 85 -10.766 9.717 6.723 656 HB3 GLU 85 HB3 GLU 85 -9.021 9.979 6.576 657 HG2 GLU 85 HG2 GLU 85 -9.354 11.475 4.662 658 HG3 GLU 85 HG3 GLU 85 -11.094 11.191 4.691 659 H LEU 86 H LEU 86 -7.480 7.814 5.135 660 HA LEU 86 HA LEU 86 -8.111 5.151 6.174 661 HB2 LEU 86 HB2 LEU 86 -6.399 5.817 4.397 662 HB3 LEU 86 HB3 LEU 86 -5.392 6.439 5.684 663 HG LEU 86 HG LEU 86 -6.322 3.555 5.351 664 HD11 LEU 86 HD11 LEU 86 -4.687 4.279 3.663 665 HD12 LEU 86 HD12 LEU 86 -3.604 4.873 4.945 666 HD13 LEU 86 HD13 LEU 86 -3.946 3.140 4.798 667 HD21 LEU 86 HD21 LEU 86 -4.456 4.774 7.416 668 HD22 LEU 86 HD22 LEU 86 -5.960 3.864 7.711 669 HD23 LEU 86 HD23 LEU 86 -4.556 3.036 7.061 670 H GLU 87 H GLU 87 -5.974 7.746 7.249 671 HA GLU 87 HA GLU 87 -6.926 7.553 10.048 672 HB2 GLU 87 HB2 GLU 87 -5.041 5.934 9.913 673 HB3 GLU 87 HB3 GLU 87 -3.996 7.206 9.294 674 HG2 GLU 87 HG2 GLU 87 -3.485 6.920 11.599 675 HG3 GLU 87 HG3 GLU 87 -4.307 8.464 11.453 676 H TYR 88 H TYR 88 -4.212 9.087 8.251 677 HA TYR 88 HA TYR 88 -4.853 11.718 9.422 678 HB2 TYR 88 HB2 TYR 88 -2.622 10.779 7.607 679 HB3 TYR 88 HB3 TYR 88 -2.734 12.379 8.321 680 HD1 TYR 88 HD2 TYR 88 -2.428 12.715 10.771 681 HD2 TYR 88 HD1 TYR 88 -1.875 8.855 8.922 682 HE1 TYR 88 HE2 TYR 88 -1.142 11.937 12.763 683 HE2 TYR 88 HE1 TYR 88 -0.674 8.058 10.949 684 HH TYR 88 HH TYR 88 0.087 8.581 13.034 685 H SER 89 H SER 89 -4.935 10.156 6.220 686 HA SER 89 HA SER 89 -6.857 12.101 5.215 687 HB2 SER 89 HB2 SER 89 -4.455 13.059 4.790 688 HB3 SER 89 HB3 SER 89 -4.317 11.752 3.606 689 HG SER 89 HG SER 89 -5.143 13.792 2.769 690 H SER 90 H SER 90 -7.049 11.494 2.656 691 HA SER 90 HA SER 90 -7.442 8.551 2.402 692 HB2 SER 90 HB2 SER 90 -8.723 9.175 0.355 693 HB3 SER 90 HB3 SER 90 -9.401 9.809 1.862 694 HG SER 90 HG SER 90 -9.327 11.384 0.171 695 H LEU 91 H LEU 91 -6.844 7.556 0.349 696 HA LEU 91 HA LEU 91 -4.095 8.022 -0.447 697 HB2 LEU 91 HB2 LEU 91 -6.272 6.357 -1.773 698 HB3 LEU 91 HB3 LEU 91 -4.552 6.248 -2.095 699 HG LEU 91 HG LEU 91 -6.002 5.440 0.446 700 HD11 LEU 91 HD11 LEU 91 -6.176 3.884 -1.503 701 HD12 LEU 91 HD12 LEU 91 -4.407 3.807 -1.563 702 HD13 LEU 91 HD13 LEU 91 -5.285 3.178 -0.155 703 HD21 LEU 91 HD21 LEU 91 -3.023 5.370 -0.112 704 HD22 LEU 91 HD22 LEU 91 -3.841 6.332 1.138 705 HD23 LEU 91 HD23 LEU 91 -3.828 4.570 1.248 706 H LYS 92 H LYS 92 -3.267 8.906 -2.350 707 HA LYS 92 HA LYS 92 -5.201 10.323 -4.171 708 HB2 LYS 92 HB2 LYS 92 -2.389 11.252 -3.484 709 HB3 LYS 92 HB3 LYS 92 -3.572 12.061 -4.509 710 HG2 LYS 92 HG2 LYS 92 -5.095 12.350 -2.539 711 HG3 LYS 92 HG3 LYS 92 -3.867 11.585 -1.515 712 HD2 LYS 92 HD2 LYS 92 -2.254 13.399 -2.479 713 HD3 LYS 92 HD3 LYS 92 -3.721 14.251 -2.965 714 HE2 LYS 92 HE2 LYS 92 -4.482 14.407 -0.659 715 HE3 LYS 92 HE3 LYS 92 -3.245 13.263 -0.122 716 HZ1 LYS 92 HZ1 LYS 92 -1.552 14.881 -0.805 717 HZ2 LYS 92 HZ2 LYS 92 -2.714 15.993 -1.145 718 HZ3 LYS 92 HZ3 LYS 92 -2.499 15.474 0.399 719 H GLN 93 H GLN 93 -1.936 8.806 -4.119 720 HA GLN 93 HA GLN 93 -2.383 7.877 -6.883 721 HB2 GLN 93 HB2 GLN 93 -0.389 8.968 -7.771 722 HB3 GLN 93 HB3 GLN 93 -1.544 10.159 -7.174 723 HG2 GLN 93 HG2 GLN 93 -0.183 10.371 -5.063 724 HG3 GLN 93 HG3 GLN 93 0.979 9.223 -5.729 725 HE21 GLN 93 HE22 GLN 93 2.276 11.249 -5.088 726 HE22 GLN 93 HE21 GLN 93 2.542 12.392 -6.415 727 HA PRO 94 HA PRO 94 0.384 4.609 -5.500 728 HB2 PRO 94 HB2 PRO 94 1.029 3.419 -7.852 729 HB3 PRO 94 HB3 PRO 94 -0.631 3.348 -7.188 730 HG2 PRO 94 HG2 PRO 94 0.400 5.260 -9.290 731 HG3 PRO 94 HG3 PRO 94 -1.070 4.230 -9.340 732 HD2 PRO 94 HD2 PRO 94 -1.158 6.843 -8.562 733 HD3 PRO 94 HD3 PRO 94 -2.210 5.606 -7.809 734 H LEU 95 H LEU 95 2.622 4.401 -5.201 735 HA LEU 95 HA LEU 95 4.449 6.430 -5.969 736 HB2 LEU 95 HB2 LEU 95 4.869 4.959 -4.076 737 HB3 LEU 95 HB3 LEU 95 4.892 3.546 -5.128 738 HG LEU 95 HG LEU 95 6.955 4.381 -6.236 739 HD11 LEU 95 HD11 LEU 95 6.717 6.833 -5.854 740 HD12 LEU 95 HD12 LEU 95 6.877 6.564 -4.105 741 HD13 LEU 95 HD13 LEU 95 8.235 6.231 -5.199 742 HD21 LEU 95 HD21 LEU 95 7.285 4.352 -3.227 743 HD22 LEU 95 HD22 LEU 95 7.053 2.894 -4.223 744 HD23 LEU 95 HD23 LEU 95 8.485 3.909 -4.456 745 H GLN 96 H GLN 96 5.742 6.760 -7.700 746 HA GLN 96 HA GLN 96 5.137 5.292 -10.162 747 HB2 GLN 96 HB2 GLN 96 6.903 7.717 -9.663 748 HB3 GLN 96 HB3 GLN 96 6.429 7.089 -11.241 749 HG2 GLN 96 HG2 GLN 96 4.536 8.256 -9.141 750 HG3 GLN 96 HG3 GLN 96 5.081 9.048 -10.609 751 HE21 GLN 96 HE22 GLN 96 2.647 6.906 -9.285 752 HE22 GLN 96 HE21 GLN 96 1.917 6.536 -10.842 753 H ARG 97 H ARG 97 6.701 4.443 -11.595 754 HA ARG 97 HA ARG 97 9.099 3.254 -10.266 755 HB2 ARG 97 HB2 ARG 97 8.778 1.251 -11.518 756 HB3 ARG 97 HB3 ARG 97 7.295 1.656 -10.676 757 HG2 ARG 97 HG2 ARG 97 6.408 1.048 -12.695 758 HG3 ARG 97 HG3 ARG 97 6.614 2.768 -13.004 759 HD2 ARG 97 HD2 ARG 97 8.929 2.095 -14.031 760 HD3 ARG 97 HD3 ARG 97 8.356 0.444 -13.914 761 HE ARG 97 HE ARG 97 6.830 0.821 -15.643 762 HH11 ARG 97 HH11 ARG 97 8.259 3.938 -14.783 763 HH12 ARG 97 HH12 ARG 97 7.755 4.648 -16.298 764 HH21 ARG 97 HH21 ARG 97 6.179 1.848 -17.492 765 HH22 ARG 97 HH22 ARG 97 6.606 3.511 -17.765 Start of MODEL 12 1 H1 GLY -6 H1 GLY -6 4.105 -16.339 -37.840 2 H2 GLY -6 H2 GLY -6 5.699 -16.135 -38.154 3 H3 GLY -6 H3 GLY -6 5.061 -17.645 -38.105 4 HA2 GLY -6 HA2 GLY -6 4.590 -17.451 -35.759 5 HA3 GLY -6 HA3 GLY -6 6.315 -17.218 -36.097 6 H SER -5 H SER -5 6.143 -16.178 -33.914 7 HA SER -5 HA SER -5 5.878 -13.247 -34.185 8 HB2 SER -5 HB2 SER -5 4.449 -12.978 -32.285 9 HB3 SER -5 HB3 SER -5 3.649 -14.118 -33.373 10 HG SER -5 HG SER -5 3.569 -14.908 -31.261 11 H SER -4 H SER -4 6.605 -12.180 -32.045 12 HA SER -4 HA SER -4 9.204 -13.147 -31.255 13 HB2 SER -4 HB2 SER -4 7.509 -10.942 -30.025 14 HB3 SER -4 HB3 SER -4 9.257 -11.174 -29.825 15 HG SER -4 HG SER -4 8.771 -9.609 -31.436 16 H GLY -3 H GLY -3 6.238 -14.309 -30.207 17 HA2 GLY -3 HA2 GLY -3 5.646 -15.669 -28.441 18 HA3 GLY -3 HA3 GLY -3 7.287 -15.557 -27.799 19 H SER -2 H SER -2 5.792 -12.510 -28.348 20 HA SER -2 HA SER -2 4.673 -12.177 -25.636 21 HB2 SER -2 HB2 SER -2 6.114 -10.236 -25.174 22 HB3 SER -2 HB3 SER -2 7.060 -11.723 -25.334 23 HG SER -2 HG SER -2 8.003 -9.970 -26.481 24 H SER -1 H SER -1 3.680 -9.996 -25.359 25 HA SER -1 HA SER -1 3.034 -8.470 -27.785 26 HB2 SER -1 HB2 SER -1 0.649 -8.706 -27.629 27 HB3 SER -1 HB3 SER -1 1.339 -10.329 -27.749 28 HG SER -1 HG SER -1 0.996 -10.629 -25.566 29 H GLY 0 H GLY 0 1.671 -6.552 -27.297 30 HA2 GLY 0 HA2 GLY 0 2.539 -5.102 -24.953 31 HA3 GLY 0 HA3 GLY 0 1.377 -4.568 -26.169 32 H MET 1 H MET 1 0.201 -7.504 -25.030 33 HA MET 1 HA MET 1 -1.901 -6.227 -23.462 34 HB2 MET 1 HB2 MET 1 -1.324 -9.170 -23.986 35 HB3 MET 1 HB3 MET 1 -2.796 -8.511 -23.269 36 HG2 MET 1 HG2 MET 1 -3.221 -7.215 -25.352 37 HG3 MET 1 HG3 MET 1 -1.796 -7.960 -26.087 38 HE1 MET 1 HE1 MET 1 -4.614 -7.969 -27.484 39 HE2 MET 1 HE2 MET 1 -3.167 -8.747 -28.167 40 HE3 MET 1 HE3 MET 1 -4.696 -9.646 -28.068 41 H ALA 2 H ALA 2 1.164 -7.670 -22.641 42 HA ALA 2 HA ALA 2 0.453 -8.340 -19.889 43 HB1 ALA 2 HB1 ALA 2 2.129 -9.636 -21.121 44 HB2 ALA 2 HB2 ALA 2 3.147 -8.186 -21.298 45 HB3 ALA 2 HB3 ALA 2 2.846 -8.875 -19.687 46 H GLU 3 H GLU 3 0.672 -7.137 -18.105 47 HA GLU 3 HA GLU 3 2.050 -4.482 -18.193 48 HB2 GLU 3 HB2 GLU 3 -0.454 -4.428 -18.642 49 HB3 GLU 3 HB3 GLU 3 -0.702 -5.026 -17.008 50 HG2 GLU 3 HG2 GLU 3 -1.072 -2.618 -17.185 51 HG3 GLU 3 HG3 GLU 3 0.238 -2.951 -16.079 52 H ALA 4 H ALA 4 2.076 -7.398 -16.682 53 HA ALA 4 HA ALA 4 2.605 -8.273 -14.674 54 HB1 ALA 4 HB1 ALA 4 4.705 -7.087 -15.273 55 HB2 ALA 4 HB2 ALA 4 4.198 -5.719 -14.261 56 HB3 ALA 4 HB3 ALA 4 4.497 -7.313 -13.534 57 H ALA 5 H ALA 5 3.130 -6.782 -12.141 58 HA ALA 5 HA ALA 5 0.475 -6.950 -11.047 59 HB1 ALA 5 HB1 ALA 5 2.534 -7.594 -9.832 60 HB2 ALA 5 HB2 ALA 5 3.063 -5.893 -9.832 61 HB3 ALA 5 HB3 ALA 5 1.606 -6.378 -8.941 62 H ALA 6 H ALA 6 -0.447 -5.236 -9.607 63 HA ALA 6 HA ALA 6 -1.174 -2.871 -10.970 64 HB1 ALA 6 HB1 ALA 6 -2.477 -3.958 -9.171 65 HB2 ALA 6 HB2 ALA 6 -1.234 -3.488 -7.987 66 HB3 ALA 6 HB3 ALA 6 -2.186 -2.249 -8.828 67 HA PRO 7 HA PRO 7 2.265 -0.258 -10.664 68 HB2 PRO 7 HB2 PRO 7 1.231 2.297 -10.444 69 HB3 PRO 7 HB3 PRO 7 1.149 1.296 -11.923 70 HG2 PRO 7 HG2 PRO 7 -0.976 1.608 -9.774 71 HG3 PRO 7 HG3 PRO 7 -1.170 1.754 -11.553 72 HD2 PRO 7 HD2 PRO 7 -1.782 -0.544 -10.293 73 HD3 PRO 7 HD3 PRO 7 -0.910 -0.594 -11.856 74 H TRP 8 H TRP 8 0.031 0.035 -7.944 75 HA TRP 8 HA TRP 8 1.936 1.365 -6.166 76 HB2 TRP 8 HB2 TRP 8 0.104 0.611 -4.462 77 HB3 TRP 8 HB3 TRP 8 -0.201 1.900 -5.581 78 HD1 TRP 8 HD1 TRP 8 -2.150 1.645 -7.275 79 HE1 TRP 8 HE1 TRP 8 -4.009 -0.079 -7.650 80 HE3 TRP 8 HE3 TRP 8 -0.361 -2.136 -4.328 81 HZ2 TRP 8 HZ2 TRP 8 -4.701 -2.702 -6.708 82 HZ3 TRP 8 HZ3 TRP 8 -1.662 -4.250 -4.072 83 HH2 TRP 8 HH2 TRP 8 -3.816 -4.542 -5.279 84 H TYR 9 H TYR 9 1.812 -1.893 -7.252 85 HA TYR 9 HA TYR 9 2.600 -2.994 -4.612 86 HB2 TYR 9 HB2 TYR 9 0.891 -4.049 -6.172 87 HB3 TYR 9 HB3 TYR 9 2.243 -4.495 -7.211 88 HD1 TYR 9 HD2 TYR 9 0.673 -4.913 -3.882 89 HD2 TYR 9 HD1 TYR 9 3.785 -6.285 -6.536 90 HE1 TYR 9 HE2 TYR 9 1.115 -6.811 -2.349 91 HE2 TYR 9 HE1 TYR 9 4.224 -8.209 -5.007 92 HH TYR 9 HH TYR 9 2.399 -8.682 -1.980 93 H HIS 10 H HIS 10 4.591 -3.352 -3.988 94 HA HIS 10 HA HIS 10 6.843 -3.276 -5.969 95 HB2 HIS 10 HB2 HIS 10 6.575 -2.122 -3.181 96 HB3 HIS 10 HB3 HIS 10 8.135 -2.352 -3.962 97 HD1 HIS 10 HD1 HIS 10 8.902 -0.518 -5.657 98 HD2 HIS 10 HD2 HIS 10 4.837 -0.391 -4.613 99 HE1 HIS 10 HE1 HIS 10 7.963 1.613 -6.703 100 H GLY 11 H GLY 11 5.312 -5.584 -4.159 101 HA2 GLY 11 HA2 GLY 11 5.959 -7.720 -3.522 102 HA3 GLY 11 HA3 GLY 11 7.406 -7.468 -4.486 103 HA PRO 12 HA PRO 12 8.868 -7.935 -0.182 104 HB2 PRO 12 HB2 PRO 12 11.319 -9.009 -0.600 105 HB3 PRO 12 HB3 PRO 12 9.816 -9.887 -0.993 106 HG2 PRO 12 HG2 PRO 12 11.528 -8.239 -2.891 107 HG3 PRO 12 HG3 PRO 12 10.983 -9.938 -3.095 108 HD2 PRO 12 HD2 PRO 12 9.624 -7.833 -4.185 109 HD3 PRO 12 HD3 PRO 12 8.773 -9.276 -3.556 110 H LEU 13 H LEU 13 8.693 -5.348 -0.899 111 HA LEU 13 HA LEU 13 11.226 -3.917 -0.572 112 HB2 LEU 13 HB2 LEU 13 8.999 -3.147 -1.755 113 HB3 LEU 13 HB3 LEU 13 8.448 -2.803 -0.122 114 HG LEU 13 HG LEU 13 10.457 -1.276 0.150 115 HD11 LEU 13 HD11 LEU 13 11.896 -2.079 -1.668 116 HD12 LEU 13 HD12 LEU 13 10.621 -1.746 -2.863 117 HD13 LEU 13 HD13 LEU 13 11.415 -0.411 -2.015 118 HD21 LEU 13 HD21 LEU 13 8.489 -0.586 -2.064 119 HD22 LEU 13 HD22 LEU 13 8.178 -0.447 -0.321 120 HD23 LEU 13 HD23 LEU 13 9.419 0.561 -1.075 121 H SER 14 H SER 14 11.846 -2.741 1.330 122 HA SER 14 HA SER 14 10.743 -3.741 3.927 123 HB2 SER 14 HB2 SER 14 13.412 -2.452 3.266 124 HB3 SER 14 HB3 SER 14 12.876 -2.932 4.886 125 HG SER 14 HG SER 14 14.172 -4.543 3.847 126 H ARG 15 H ARG 15 10.606 -2.175 5.735 127 HA ARG 15 HA ARG 15 9.069 0.142 5.140 128 HB2 ARG 15 HB2 ARG 15 10.709 -0.554 7.620 129 HB3 ARG 15 HB3 ARG 15 9.718 0.902 7.481 130 HG2 ARG 15 HG2 ARG 15 7.720 -0.550 6.998 131 HG3 ARG 15 HG3 ARG 15 8.723 -1.963 7.393 132 HD2 ARG 15 HD2 ARG 15 9.167 -1.008 9.642 133 HD3 ARG 15 HD3 ARG 15 8.211 0.422 9.218 134 HE ARG 15 HE ARG 15 6.914 -2.265 9.152 135 HH11 ARG 15 HH11 ARG 15 7.216 0.747 10.908 136 HH12 ARG 15 HH12 ARG 15 5.742 0.483 11.796 137 HH21 ARG 15 HH21 ARG 15 5.026 -2.526 10.303 138 HH22 ARG 15 HH22 ARG 15 4.545 -1.319 11.454 139 H THR 16 H THR 16 12.575 0.019 5.896 140 HA THR 16 HA THR 16 13.081 2.769 5.803 141 HB THR 16 HB THR 16 14.993 0.644 4.770 142 HG1 THR 16 HG1 THR 16 14.505 1.420 7.456 143 HG21 THR 16 HG21 THR 16 15.892 2.910 4.569 144 HG22 THR 16 HG22 THR 16 15.447 3.273 6.254 145 HG23 THR 16 HG23 THR 16 16.705 2.068 5.894 146 H ASP 17 H ASP 17 12.920 0.514 3.038 147 HA ASP 17 HA ASP 17 13.728 2.470 1.037 148 HB2 ASP 17 HB2 ASP 17 12.371 -0.246 0.923 149 HB3 ASP 17 HB3 ASP 17 12.718 0.704 -0.509 150 H ALA 18 H ALA 18 10.564 1.257 2.238 151 HA ALA 18 HA ALA 18 8.948 2.821 0.469 152 HB1 ALA 18 HB1 ALA 18 8.123 0.865 1.742 153 HB2 ALA 18 HB2 ALA 18 8.358 1.741 3.266 154 HB3 ALA 18 HB3 ALA 18 7.151 2.310 2.100 155 H GLU 19 H GLU 19 10.224 3.531 3.744 156 HA GLU 19 HA GLU 19 9.052 6.100 4.092 157 HB2 GLU 19 HB2 GLU 19 11.600 4.882 5.184 158 HB3 GLU 19 HB3 GLU 19 11.021 6.479 5.650 159 HG2 GLU 19 HG2 GLU 19 8.954 5.546 6.539 160 HG3 GLU 19 HG3 GLU 19 9.403 3.929 6.031 161 H ASN 20 H ASN 20 12.312 5.266 2.757 162 HA ASN 20 HA ASN 20 12.986 8.012 2.191 163 HB2 ASN 20 HB2 ASN 20 14.077 5.322 1.291 164 HB3 ASN 20 HB3 ASN 20 14.653 6.817 0.563 165 HD21 ASN 20 HD22 ASN 20 14.541 4.995 3.603 166 HD22 ASN 20 HD21 ASN 20 15.783 5.974 4.387 167 H SER 21 H SER 21 11.161 5.627 0.305 168 HA SER 21 HA SER 21 11.145 7.197 -2.139 169 HB2 SER 21 HB2 SER 21 9.242 5.002 -1.240 170 HB3 SER 21 HB3 SER 21 9.390 5.688 -2.868 171 HG SER 21 HG SER 21 11.290 4.163 -1.410 172 H LEU 22 H LEU 22 8.713 6.779 0.505 173 HA LEU 22 HA LEU 22 6.878 8.659 -0.773 174 HB2 LEU 22 HB2 LEU 22 6.881 6.888 1.625 175 HB3 LEU 22 HB3 LEU 22 5.833 8.281 1.677 176 HG LEU 22 HG LEU 22 4.579 7.612 -0.208 177 HD11 LEU 22 HD11 LEU 22 6.218 6.667 -1.731 178 HD12 LEU 22 HD12 LEU 22 6.555 5.333 -0.600 179 HD13 LEU 22 HD13 LEU 22 4.972 5.451 -1.402 180 HD21 LEU 22 HD21 LEU 22 5.163 5.143 1.483 181 HD22 LEU 22 HD22 LEU 22 4.260 6.560 2.045 182 HD23 LEU 22 HD23 LEU 22 3.628 5.588 0.697 183 H LEU 23 H LEU 23 9.339 9.033 1.785 184 HA LEU 23 HA LEU 23 8.409 11.593 2.690 185 HB2 LEU 23 HB2 LEU 23 10.011 10.120 3.881 186 HB3 LEU 23 HB3 LEU 23 11.211 10.402 2.617 187 HG LEU 23 HG LEU 23 11.326 12.796 3.258 188 HD11 LEU 23 HD11 LEU 23 9.064 13.167 4.160 189 HD12 LEU 23 HD12 LEU 23 9.369 11.999 5.467 190 HD13 LEU 23 HD13 LEU 23 10.269 13.530 5.395 191 HD21 LEU 23 HD21 LEU 23 11.650 10.878 5.601 192 HD22 LEU 23 HD22 LEU 23 12.831 11.146 4.298 193 HD23 LEU 23 HD23 LEU 23 12.440 12.461 5.418 194 H ARG 24 H ARG 24 10.111 10.650 -0.200 195 HA ARG 24 HA ARG 24 10.815 13.378 -1.020 196 HB2 ARG 24 HB2 ARG 24 12.079 11.249 -1.579 197 HB3 ARG 24 HB3 ARG 24 10.748 10.798 -2.647 198 HG2 ARG 24 HG2 ARG 24 11.156 12.814 -4.026 199 HG3 ARG 24 HG3 ARG 24 12.451 13.321 -2.932 200 HD2 ARG 24 HD2 ARG 24 12.398 10.730 -4.539 201 HD3 ARG 24 HD3 ARG 24 13.245 12.209 -5.026 202 HE ARG 24 HE ARG 24 14.204 11.618 -2.464 203 HH11 ARG 24 HH11 ARG 24 14.311 10.014 -5.577 204 HH12 ARG 24 HH12 ARG 24 15.794 9.180 -5.200 205 HH21 ARG 24 HH21 ARG 24 16.090 10.520 -2.045 206 HH22 ARG 24 HH22 ARG 24 16.773 9.471 -3.252 207 H MET 25 H MET 25 7.964 11.449 -1.159 208 HA MET 25 HA MET 25 6.832 12.847 -3.513 209 HB2 MET 25 HB2 MET 25 6.025 10.368 -1.951 210 HB3 MET 25 HB3 MET 25 5.062 11.039 -3.249 211 HG2 MET 25 HG2 MET 25 7.937 10.203 -3.563 212 HG3 MET 25 HG3 MET 25 6.586 9.157 -3.938 213 HE1 MET 25 HE1 MET 25 5.275 9.155 -6.141 214 HE2 MET 25 HE2 MET 25 4.481 10.628 -5.535 215 HE3 MET 25 HE3 MET 25 5.105 10.574 -7.197 216 HA PRO 26 HA PRO 26 3.949 15.243 -1.084 217 HB2 PRO 26 HB2 PRO 26 1.733 15.393 -2.667 218 HB3 PRO 26 HB3 PRO 26 3.280 16.203 -3.083 219 HG2 PRO 26 HG2 PRO 26 2.245 13.539 -4.057 220 HG3 PRO 26 HG3 PRO 26 2.913 14.883 -5.040 221 HD2 PRO 26 HD2 PRO 26 4.415 12.749 -4.296 222 HD3 PRO 26 HD3 PRO 26 5.136 14.371 -4.372 223 H GLU 27 H GLU 27 1.935 15.144 0.102 224 HA GLU 27 HA GLU 27 1.353 12.669 1.352 225 HB2 GLU 27 HB2 GLU 27 1.024 14.769 2.462 226 HB3 GLU 27 HB3 GLU 27 -0.135 15.313 1.244 227 HG2 GLU 27 HG2 GLU 27 -1.797 13.722 1.988 228 HG3 GLU 27 HG3 GLU 27 -0.631 12.901 3.021 229 H GLY 28 H GLY 28 -0.030 11.074 1.090 230 HA2 GLY 28 HA2 GLY 28 -1.963 9.956 0.278 231 HA3 GLY 28 HA3 GLY 28 -2.183 11.210 -0.946 232 H THR 29 H THR 29 1.065 10.365 -0.982 233 HA THR 29 HA THR 29 0.794 8.569 -3.304 234 HB THR 29 HB THR 29 3.385 9.375 -1.894 235 HG1 THR 29 HG1 THR 29 2.513 11.217 -2.703 236 HG21 THR 29 HG21 THR 29 3.535 7.355 -3.314 237 HG22 THR 29 HG22 THR 29 2.785 8.239 -4.663 238 HG23 THR 29 HG23 THR 29 4.370 8.725 -4.028 239 H PHE 30 H PHE 30 0.744 6.336 -3.120 240 HA PHE 30 HA PHE 30 1.698 5.153 -0.557 241 HB2 PHE 30 HB2 PHE 30 -0.312 3.894 -0.335 242 HB3 PHE 30 HB3 PHE 30 -0.728 5.588 -0.507 243 HD1 PHE 30 HD1 PHE 30 -1.801 6.410 -2.608 244 HD2 PHE 30 HD2 PHE 30 -0.866 2.257 -2.046 245 HE1 PHE 30 HE1 PHE 30 -3.162 5.840 -4.603 246 HE2 PHE 30 HE2 PHE 30 -2.302 1.666 -3.991 247 HZ PHE 30 HZ PHE 30 -3.373 3.464 -5.330 248 H LEU 31 H LEU 31 1.902 2.881 -0.511 249 HA LEU 31 HA LEU 31 2.151 1.434 -3.037 250 HB2 LEU 31 HB2 LEU 31 4.439 0.754 -2.742 251 HB3 LEU 31 HB3 LEU 31 4.334 2.494 -2.805 252 HG LEU 31 HG LEU 31 4.485 2.420 -0.204 253 HD11 LEU 31 HD11 LEU 31 4.219 0.000 0.247 254 HD12 LEU 31 HD12 LEU 31 5.536 -0.376 -0.885 255 HD13 LEU 31 HD13 LEU 31 5.855 0.482 0.636 256 HD21 LEU 31 HD21 LEU 31 6.814 1.548 -1.956 257 HD22 LEU 31 HD22 LEU 31 6.246 3.209 -1.690 258 HD23 LEU 31 HD23 LEU 31 6.938 2.302 -0.351 259 H VAL 32 H VAL 32 2.438 -0.866 -2.724 260 HA VAL 32 HA VAL 32 1.811 -1.878 -0.002 261 HB VAL 32 HB VAL 32 0.671 -3.020 -2.558 262 HG11 VAL 32 HG11 VAL 32 1.146 -4.804 -0.892 263 HG12 VAL 32 HG12 VAL 32 0.232 -3.889 0.329 264 HG13 VAL 32 HG13 VAL 32 -0.568 -4.559 -1.111 265 HG21 VAL 32 HG21 VAL 32 -0.722 -1.603 -0.235 266 HG22 VAL 32 HG22 VAL 32 -0.473 -0.922 -1.853 267 HG23 VAL 32 HG23 VAL 32 -1.498 -2.334 -1.668 268 H ARG 33 H ARG 33 2.960 -3.561 0.672 269 HA ARG 33 HA ARG 33 4.873 -4.916 -1.169 270 HB2 ARG 33 HB2 ARG 33 6.713 -4.530 0.401 271 HB3 ARG 33 HB3 ARG 33 6.005 -2.983 -0.077 272 HG2 ARG 33 HG2 ARG 33 4.665 -3.030 2.091 273 HG3 ARG 33 HG3 ARG 33 5.565 -4.487 2.536 274 HD2 ARG 33 HD2 ARG 33 7.689 -3.022 2.202 275 HD3 ARG 33 HD3 ARG 33 6.587 -1.655 2.176 276 HE ARG 33 HE ARG 33 6.135 -1.941 4.452 277 HH11 ARG 33 HH11 ARG 33 8.229 -4.628 3.447 278 HH12 ARG 33 HH12 ARG 33 8.295 -5.235 5.090 279 HH21 ARG 33 HH21 ARG 33 6.294 -2.892 6.483 280 HH22 ARG 33 HH22 ARG 33 7.314 -4.307 6.678 281 H ASP 34 H ASP 34 5.802 -6.872 -0.265 282 HA ASP 34 HA ASP 34 3.983 -8.605 1.213 283 HB2 ASP 34 HB2 ASP 34 5.507 -9.469 -0.486 284 HB3 ASP 34 HB3 ASP 34 6.900 -8.869 0.410 285 H SER 35 H SER 35 3.917 -9.059 3.389 286 HA SER 35 HA SER 35 4.993 -6.989 5.061 287 HB2 SER 35 HB2 SER 35 2.748 -7.979 5.348 288 HB3 SER 35 HB3 SER 35 3.507 -9.486 5.898 289 HG SER 35 HG SER 35 2.898 -7.960 7.604 290 H THR 36 H THR 36 6.538 -6.892 6.531 291 HA THR 36 HA THR 36 8.835 -8.491 6.285 292 HB THR 36 HB THR 36 8.180 -6.767 8.699 293 HG1 THR 36 HG1 THR 36 9.319 -5.180 7.344 294 HG21 THR 36 HG21 THR 36 10.316 -8.051 8.790 295 HG22 THR 36 HG22 THR 36 10.790 -7.355 7.223 296 HG23 THR 36 HG23 THR 36 10.603 -6.313 8.653 297 H SER 37 H SER 37 9.211 -10.495 6.960 298 HA SER 37 HA SER 37 9.037 -12.497 7.976 299 HB2 SER 37 HB2 SER 37 8.900 -10.867 10.526 300 HB3 SER 37 HB3 SER 37 9.378 -12.569 10.381 301 HG SER 37 HG SER 37 11.198 -11.178 10.433 302 H SER 38 H SER 38 6.430 -11.336 7.162 303 HA SER 38 HA SER 38 4.648 -13.153 8.726 304 HB2 SER 38 HB2 SER 38 4.576 -10.638 9.377 305 HB3 SER 38 HB3 SER 38 3.689 -10.417 7.874 306 HG SER 38 HG SER 38 2.092 -11.845 8.665 307 HA PRO 39 HA PRO 39 4.806 -13.605 4.087 308 HB2 PRO 39 HB2 PRO 39 4.800 -16.359 3.919 309 HB3 PRO 39 HB3 PRO 39 6.265 -15.366 4.184 310 HG2 PRO 39 HG2 PRO 39 4.555 -16.757 6.272 311 HG3 PRO 39 HG3 PRO 39 6.340 -16.797 6.098 312 HD2 PRO 39 HD2 PRO 39 5.153 -15.118 7.849 313 HD3 PRO 39 HD3 PRO 39 6.557 -14.568 6.881 314 H GLY 40 H GLY 40 3.161 -13.765 2.686 315 HA2 GLY 40 HA2 GLY 40 1.041 -14.260 1.821 316 HA3 GLY 40 HA3 GLY 40 0.600 -15.093 3.313 317 H ASP 41 H ASP 41 1.731 -12.363 4.625 318 HA ASP 41 HA ASP 41 -0.796 -10.793 4.343 319 HB2 ASP 41 HB2 ASP 41 1.426 -10.402 6.366 320 HB3 ASP 41 HB3 ASP 41 -0.140 -9.608 6.329 321 H TYR 42 H TYR 42 -0.607 -8.481 4.066 322 HA TYR 42 HA TYR 42 1.909 -7.576 2.714 323 HB2 TYR 42 HB2 TYR 42 -0.901 -6.788 1.895 324 HB3 TYR 42 HB3 TYR 42 0.604 -6.366 1.103 325 HD1 TYR 42 HD1 TYR 42 2.040 -8.274 0.193 326 HD2 TYR 42 HD2 TYR 42 -2.067 -8.775 1.362 327 HE1 TYR 42 HE1 TYR 42 1.948 -10.474 -1.040 328 HE2 TYR 42 HE2 TYR 42 -2.182 -10.924 0.107 329 HH TYR 42 HH TYR 42 -1.037 -12.444 -1.172 330 H VAL 43 H VAL 43 2.029 -5.146 2.582 331 HA VAL 43 HA VAL 43 0.798 -3.784 4.941 332 HB VAL 43 HB VAL 43 3.728 -3.566 4.167 333 HG11 VAL 43 HG11 VAL 43 2.863 -1.421 5.049 334 HG12 VAL 43 HG12 VAL 43 2.174 -2.273 6.451 335 HG13 VAL 43 HG13 VAL 43 3.929 -2.195 6.222 336 HG21 VAL 43 HG21 VAL 43 2.412 -4.809 6.612 337 HG22 VAL 43 HG22 VAL 43 3.263 -5.667 5.318 338 HG23 VAL 43 HG23 VAL 43 4.163 -4.584 6.382 339 H LEU 44 H LEU 44 -0.121 -1.944 4.440 340 HA LEU 44 HA LEU 44 0.318 -0.608 1.819 341 HB2 LEU 44 HB2 LEU 44 -2.019 -0.988 2.549 342 HB3 LEU 44 HB3 LEU 44 -1.692 -0.194 4.070 343 HG LEU 44 HG LEU 44 -1.334 1.952 2.895 344 HD11 LEU 44 HD11 LEU 44 -0.576 1.276 0.709 345 HD12 LEU 44 HD12 LEU 44 -2.122 0.457 0.378 346 HD13 LEU 44 HD13 LEU 44 -2.048 2.229 0.556 347 HD21 LEU 44 HD21 LEU 44 -3.949 0.574 2.135 348 HD22 LEU 44 HD22 LEU 44 -3.590 1.278 3.725 349 HD23 LEU 44 HD23 LEU 44 -3.692 2.323 2.299 350 H SER 45 H SER 45 1.769 1.022 1.760 351 HA SER 45 HA SER 45 2.354 2.519 4.276 352 HB2 SER 45 HB2 SER 45 4.285 2.116 1.983 353 HB3 SER 45 HB3 SER 45 4.589 2.976 3.499 354 HG SER 45 HG SER 45 4.012 0.200 3.176 355 H CYS 46 H CYS 46 2.148 4.741 4.196 356 HA CYS 46 HA CYS 46 1.482 6.006 1.579 357 HB2 CYS 46 HB2 CYS 46 -0.597 5.122 2.730 358 HB3 CYS 46 HB3 CYS 46 -0.267 6.265 4.050 359 HG CYS 46 HG CYS 46 -2.155 7.234 2.509 360 H SER 47 H SER 47 1.966 8.224 1.397 361 HA SER 47 HA SER 47 3.607 9.428 3.497 362 HB2 SER 47 HB2 SER 47 3.656 11.322 1.905 363 HB3 SER 47 HB3 SER 47 4.300 9.817 1.243 364 HG SER 47 HG SER 47 2.783 11.093 -0.104 365 H GLU 48 H GLU 48 2.689 10.261 5.171 366 HA GLU 48 HA GLU 48 0.131 11.827 4.983 367 HB2 GLU 48 HB2 GLU 48 0.660 9.441 6.791 368 HB3 GLU 48 HB3 GLU 48 -0.514 10.662 7.162 369 HG2 GLU 48 HG2 GLU 48 -1.649 10.211 4.947 370 HG3 GLU 48 HG3 GLU 48 -0.536 8.858 4.714 371 H ASN 49 H ASN 49 0.090 13.647 6.173 372 HA ASN 49 HA ASN 49 0.666 15.295 7.544 373 HB2 ASN 49 HB2 ASN 49 -0.405 13.567 9.034 374 HB3 ASN 49 HB3 ASN 49 1.207 13.106 9.574 375 HD21 ASN 49 HD22 ASN 49 0.166 13.703 11.700 376 HD22 ASN 49 HD21 ASN 49 0.240 15.395 12.177 377 H GLY 50 H GLY 50 2.755 14.699 5.836 378 HA2 GLY 50 HA2 GLY 50 4.915 15.426 5.458 379 HA3 GLY 50 HA3 GLY 50 4.960 16.038 7.112 380 H LYS 51 H LYS 51 4.182 12.742 7.102 381 HA LYS 51 HA LYS 51 6.980 11.727 7.226 382 HB2 LYS 51 HB2 LYS 51 6.450 10.465 9.260 383 HB3 LYS 51 HB3 LYS 51 6.289 12.194 9.526 384 HG2 LYS 51 HG2 LYS 51 3.849 12.049 9.386 385 HG3 LYS 51 HG3 LYS 51 3.943 10.315 9.002 386 HD2 LYS 51 HD2 LYS 51 4.927 9.885 11.229 387 HD3 LYS 51 HD3 LYS 51 4.874 11.627 11.592 388 HE2 LYS 51 HE2 LYS 51 2.395 11.596 11.243 389 HE3 LYS 51 HE3 LYS 51 2.465 9.855 10.952 390 HZ1 LYS 51 HZ1 LYS 51 3.308 9.581 13.231 391 HZ2 LYS 51 HZ2 LYS 51 3.235 11.193 13.496 392 HZ3 LYS 51 HZ3 LYS 51 1.860 10.342 13.251 393 H VAL 52 H VAL 52 6.470 9.110 7.731 394 HA VAL 52 HA VAL 52 4.621 8.210 5.558 395 HB VAL 52 HB VAL 52 7.349 7.029 6.139 396 HG11 VAL 52 HG11 VAL 52 5.812 5.286 5.402 397 HG12 VAL 52 HG12 VAL 52 5.194 6.324 4.103 398 HG13 VAL 52 HG13 VAL 52 6.853 5.702 4.041 399 HG21 VAL 52 HG21 VAL 52 6.329 8.774 3.866 400 HG22 VAL 52 HG22 VAL 52 7.677 9.109 4.971 401 HG23 VAL 52 HG23 VAL 52 7.831 7.830 3.775 402 H THR 53 H THR 53 3.256 6.663 6.044 403 HA THR 53 HA THR 53 3.318 5.404 8.753 404 HB THR 53 HB THR 53 0.847 5.259 8.451 405 HG1 THR 53 HG1 THR 53 0.007 6.709 6.797 406 HG21 THR 53 HG21 THR 53 1.828 7.119 9.735 407 HG22 THR 53 HG22 THR 53 1.984 8.084 8.252 408 HG23 THR 53 HG23 THR 53 0.377 7.638 8.858 409 H HIS 54 H HIS 54 2.324 3.272 8.928 410 HA HIS 54 HA HIS 54 2.370 1.570 6.491 411 HB2 HIS 54 HB2 HIS 54 3.869 0.860 9.037 412 HB3 HIS 54 HB3 HIS 54 3.798 -0.069 7.547 413 HD1 HIS 54 HD1 HIS 54 5.162 1.218 5.367 414 HD2 HIS 54 HD2 HIS 54 5.821 2.557 9.306 415 HE1 HIS 54 HE1 HIS 54 7.396 2.444 5.350 416 H TYR 55 H TYR 55 0.801 0.055 6.512 417 HA TYR 55 HA TYR 55 -0.654 -0.634 9.042 418 HB2 TYR 55 HB2 TYR 55 -1.918 0.038 6.358 419 HB3 TYR 55 HB3 TYR 55 -2.748 -0.299 7.871 420 HD1 TYR 55 HD1 TYR 55 -2.438 1.357 9.829 421 HD2 TYR 55 HD2 TYR 55 -1.253 2.234 5.772 422 HE1 TYR 55 HE1 TYR 55 -2.400 3.795 10.359 423 HE2 TYR 55 HE2 TYR 55 -1.241 4.659 6.290 424 HH TYR 55 HH TYR 55 -1.692 6.294 7.904 425 H LYS 56 H LYS 56 -0.990 -2.837 9.268 426 HA LYS 56 HA LYS 56 -0.185 -4.650 7.135 427 HB2 LYS 56 HB2 LYS 56 -1.473 -5.145 9.842 428 HB3 LYS 56 HB3 LYS 56 -1.226 -6.418 8.646 429 HG2 LYS 56 HG2 LYS 56 1.239 -5.784 8.579 430 HG3 LYS 56 HG3 LYS 56 0.930 -4.719 9.953 431 HD2 LYS 56 HD2 LYS 56 1.839 -6.804 10.756 432 HD3 LYS 56 HD3 LYS 56 0.148 -6.707 11.274 433 HE2 LYS 56 HE2 LYS 56 -0.539 -8.244 9.490 434 HE3 LYS 56 HE3 LYS 56 1.075 -8.208 8.780 435 HZ1 LYS 56 HZ1 LYS 56 1.913 -9.291 10.805 436 HZ2 LYS 56 HZ2 LYS 56 0.405 -9.348 11.439 437 HZ3 LYS 56 HZ3 LYS 56 0.776 -10.206 10.096 438 H LEU 57 H LEU 57 -1.222 -5.662 5.710 439 HA LEU 57 HA LEU 57 -4.210 -5.646 5.467 440 HB2 LEU 57 HB2 LEU 57 -1.935 -5.879 3.485 441 HB3 LEU 57 HB3 LEU 57 -3.589 -6.272 3.039 442 HG LEU 57 HG LEU 57 -2.946 -3.556 4.185 443 HD11 LEU 57 HD11 LEU 57 -1.301 -3.753 2.443 444 HD12 LEU 57 HD12 LEU 57 -2.434 -4.585 1.376 445 HD13 LEU 57 HD13 LEU 57 -2.653 -2.867 1.703 446 HD21 LEU 57 HD21 LEU 57 -4.898 -4.422 2.012 447 HD22 LEU 57 HD22 LEU 57 -5.334 -4.277 3.727 448 HD23 LEU 57 HD23 LEU 57 -4.828 -2.842 2.817 449 H SER 58 H SER 58 -4.247 -7.285 7.026 450 HA SER 58 HA SER 58 -2.599 -9.688 6.886 451 HB2 SER 58 HB2 SER 58 -4.930 -8.904 8.667 452 HB3 SER 58 HB3 SER 58 -3.985 -10.392 8.852 453 HG SER 58 HG SER 58 -3.227 -8.648 10.179 454 H ALA 59 H ALA 59 -3.152 -11.745 6.246 455 HA ALA 59 HA ALA 59 -5.523 -12.054 4.553 456 HB1 ALA 59 HB1 ALA 59 -3.394 -13.021 3.872 457 HB2 ALA 59 HB2 ALA 59 -3.340 -14.014 5.348 458 HB3 ALA 59 HB3 ALA 59 -4.601 -14.296 4.128 459 H GLU 60 H GLU 60 -7.441 -12.771 5.160 460 HA GLU 60 HA GLU 60 -7.797 -14.512 7.566 461 HB2 GLU 60 HB2 GLU 60 -8.149 -12.101 8.139 462 HB3 GLU 60 HB3 GLU 60 -9.425 -12.012 6.920 463 HG2 GLU 60 HG2 GLU 60 -10.651 -13.840 8.148 464 HG3 GLU 60 HG3 GLU 60 -9.387 -13.820 9.381 465 H GLU 61 H GLU 61 -8.543 -16.357 6.670 466 HA GLU 61 HA GLU 61 -9.538 -17.835 5.266 467 HB2 GLU 61 HB2 GLU 61 -11.891 -15.938 5.472 468 HB3 GLU 61 HB3 GLU 61 -11.937 -17.626 4.947 469 HG2 GLU 61 HG2 GLU 61 -10.998 -18.301 7.184 470 HG3 GLU 61 HG3 GLU 61 -11.170 -16.627 7.719 471 H GLY 62 H GLY 62 -7.933 -15.929 3.945 472 HA2 GLY 62 HA2 GLY 62 -7.198 -15.716 1.731 473 HA3 GLY 62 HA3 GLY 62 -8.743 -16.332 1.143 474 H LYS 63 H LYS 63 -9.530 -13.913 3.281 475 HA LYS 63 HA LYS 63 -9.629 -11.745 1.214 476 HB2 LYS 63 HB2 LYS 63 -11.377 -12.226 3.666 477 HB3 LYS 63 HB3 LYS 63 -11.504 -10.857 2.565 478 HG2 LYS 63 HG2 LYS 63 -11.810 -12.542 0.665 479 HG3 LYS 63 HG3 LYS 63 -11.998 -13.785 1.918 480 HD2 LYS 63 HD2 LYS 63 -13.883 -12.400 2.891 481 HD3 LYS 63 HD3 LYS 63 -13.761 -11.330 1.495 482 HE2 LYS 63 HE2 LYS 63 -14.473 -14.293 1.506 483 HE3 LYS 63 HE3 LYS 63 -15.561 -12.947 1.176 484 HZ1 LYS 63 HZ1 LYS 63 -14.215 -12.483 -0.863 485 HZ2 LYS 63 HZ2 LYS 63 -13.287 -13.787 -0.542 486 HZ3 LYS 63 HZ3 LYS 63 -14.867 -13.976 -0.881 487 H ILE 64 H ILE 64 -9.712 -9.488 2.381 488 HA ILE 64 HA ILE 64 -7.075 -9.315 3.794 489 HB ILE 64 HB ILE 64 -8.487 -7.505 1.814 490 HG12 ILE 64 HG12 ILE 64 -7.303 -9.413 0.799 491 HG13 ILE 64 HG13 ILE 64 -6.597 -7.868 0.371 492 HG21 ILE 64 HG21 ILE 64 -7.490 -5.977 3.370 493 HG22 ILE 64 HG22 ILE 64 -5.976 -6.906 3.420 494 HG23 ILE 64 HG23 ILE 64 -6.470 -6.045 1.939 495 HD11 ILE 64 HD11 ILE 64 -4.734 -8.233 1.962 496 HD12 ILE 64 HD12 ILE 64 -5.435 -9.805 2.421 497 HD13 ILE 64 HD13 ILE 64 -4.858 -9.534 0.771 498 H ARG 65 H ARG 65 -7.120 -8.774 5.836 499 HA ARG 65 HA ARG 65 -9.226 -6.944 6.920 500 HB2 ARG 65 HB2 ARG 65 -9.051 -9.182 7.984 501 HB3 ARG 65 HB3 ARG 65 -7.350 -8.896 8.303 502 HG2 ARG 65 HG2 ARG 65 -8.424 -8.515 10.355 503 HG3 ARG 65 HG3 ARG 65 -8.020 -6.920 9.752 504 HD2 ARG 65 HD2 ARG 65 -10.198 -6.733 10.647 505 HD3 ARG 65 HD3 ARG 65 -10.440 -6.763 8.895 506 HE ARG 65 HE ARG 65 -10.599 -9.442 9.819 507 HH11 ARG 65 HH11 ARG 65 -12.541 -6.522 10.437 508 HH12 ARG 65 HH12 ARG 65 -13.956 -7.488 10.714 509 HH21 ARG 65 HH21 ARG 65 -12.471 -10.513 10.045 510 HH22 ARG 65 HH22 ARG 65 -13.923 -9.666 10.535 511 H ILE 66 H ILE 66 -8.659 -4.910 7.409 512 HA ILE 66 HA ILE 66 -5.873 -4.281 8.198 513 HB ILE 66 HB ILE 66 -5.753 -3.819 5.910 514 HG12 ILE 66 HG12 ILE 66 -6.246 -1.114 7.186 515 HG13 ILE 66 HG13 ILE 66 -4.856 -2.109 7.594 516 HG21 ILE 66 HG21 ILE 66 -8.175 -3.689 5.345 517 HG22 ILE 66 HG22 ILE 66 -8.240 -2.075 6.085 518 HG23 ILE 66 HG23 ILE 66 -7.257 -2.374 4.635 519 HD11 ILE 66 HD11 ILE 66 -4.010 -1.992 5.326 520 HD12 ILE 66 HD12 ILE 66 -5.443 -1.096 4.777 521 HD13 ILE 66 HD13 ILE 66 -4.328 -0.357 5.928 522 H ASP 67 H ASP 67 -5.736 -3.069 9.888 523 HA ASP 67 HA ASP 67 -6.306 -2.163 11.858 524 HB2 ASP 67 HB2 ASP 67 -6.535 -0.109 10.614 525 HB3 ASP 67 HB3 ASP 67 -8.216 -0.467 10.230 526 H THR 68 H THR 68 -9.618 -1.943 10.692 527 HA THR 68 HA THR 68 -10.456 -4.380 12.187 528 HB THR 68 HB THR 68 -12.556 -3.162 12.868 529 HG1 THR 68 HG1 THR 68 -10.983 -0.844 12.451 530 HG21 THR 68 HG21 THR 68 -10.779 -3.626 14.510 531 HG22 THR 68 HG22 THR 68 -9.998 -2.081 14.116 532 HG23 THR 68 HG23 THR 68 -11.618 -2.102 14.847 533 H HIS 69 H HIS 69 -10.503 -2.647 9.259 534 HA HIS 69 HA HIS 69 -13.189 -3.382 8.375 535 HB2 HIS 69 HB2 HIS 69 -10.856 -2.080 6.917 536 HB3 HIS 69 HB3 HIS 69 -12.499 -2.254 6.306 537 HD1 HIS 69 HD1 HIS 69 -14.295 -0.465 7.191 538 HD2 HIS 69 HD2 HIS 69 -10.413 -0.174 8.791 539 HE1 HIS 69 HE1 HIS 69 -14.186 1.781 8.393 540 H LEU 70 H LEU 70 -13.655 -5.010 7.058 541 HA LEU 70 HA LEU 70 -11.485 -6.765 5.998 542 HB2 LEU 70 HB2 LEU 70 -13.139 -7.792 7.634 543 HB3 LEU 70 HB3 LEU 70 -14.388 -7.517 6.426 544 HG LEU 70 HG LEU 70 -12.958 -8.943 4.817 545 HD11 LEU 70 HD11 LEU 70 -10.828 -8.840 6.169 546 HD12 LEU 70 HD12 LEU 70 -11.619 -9.797 7.425 547 HD13 LEU 70 HD13 LEU 70 -11.353 -10.489 5.812 548 HD21 LEU 70 HD21 LEU 70 -14.040 -10.255 7.342 549 HD22 LEU 70 HD22 LEU 70 -14.987 -9.801 5.908 550 HD23 LEU 70 HD23 LEU 70 -13.749 -11.061 5.784 551 H PHE 71 H PHE 71 -11.233 -6.974 3.896 552 HA PHE 71 HA PHE 71 -13.308 -6.044 1.960 553 HB2 PHE 71 HB2 PHE 71 -10.299 -5.614 1.787 554 HB3 PHE 71 HB3 PHE 71 -11.489 -5.190 0.566 555 HD1 PHE 71 HD1 PHE 71 -13.366 -3.494 1.267 556 HD2 PHE 71 HD2 PHE 71 -9.716 -4.071 3.489 557 HE1 PHE 71 HE1 PHE 71 -13.728 -1.331 2.430 558 HE2 PHE 71 HE2 PHE 71 -10.056 -1.875 4.607 559 HZ PHE 71 HZ PHE 71 -12.077 -0.533 4.114 560 H ASP 72 H ASP 72 -13.293 -7.108 -0.068 561 HA ASP 72 HA ASP 72 -12.772 -9.887 0.088 562 HB2 ASP 72 HB2 ASP 72 -14.551 -8.913 -1.273 563 HB3 ASP 72 HB3 ASP 72 -13.370 -8.068 -2.277 564 H ASN 73 H ASN 73 -10.827 -7.295 -1.273 565 HA ASN 73 HA ASN 73 -8.500 -9.020 -1.715 566 HB2 ASN 73 HB2 ASN 73 -8.383 -8.471 -4.146 567 HB3 ASN 73 HB3 ASN 73 -9.800 -9.428 -3.754 568 HD21 ASN 73 HD22 ASN 73 -11.850 -8.606 -4.297 569 HD22 ASN 73 HD21 ASN 73 -12.043 -6.984 -4.964 570 H LEU 74 H LEU 74 -6.684 -7.643 -2.740 571 HA LEU 74 HA LEU 74 -6.103 -5.521 -0.979 572 HB2 LEU 74 HB2 LEU 74 -4.704 -7.072 -2.864 573 HB3 LEU 74 HB3 LEU 74 -4.639 -5.451 -3.533 574 HG LEU 74 HG LEU 74 -2.673 -5.828 -2.316 575 HD11 LEU 74 HD11 LEU 74 -3.640 -3.560 -2.184 576 HD12 LEU 74 HD12 LEU 74 -4.430 -3.984 -0.646 577 HD13 LEU 74 HD13 LEU 74 -2.668 -3.978 -0.768 578 HD21 LEU 74 HD21 LEU 74 -4.283 -6.322 0.211 579 HD22 LEU 74 HD22 LEU 74 -3.536 -7.596 -0.786 580 HD23 LEU 74 HD23 LEU 74 -2.516 -6.381 -0.012 581 H ASP 75 H ASP 75 -7.141 -5.340 -4.409 582 HA ASP 75 HA ASP 75 -6.874 -2.515 -4.680 583 HB2 ASP 75 HB2 ASP 75 -6.936 -4.144 -6.536 584 HB3 ASP 75 HB3 ASP 75 -8.633 -4.475 -6.198 585 H ALA 76 H ALA 76 -9.629 -4.476 -3.533 586 HA ALA 76 HA ALA 76 -11.517 -2.320 -3.343 587 HB1 ALA 76 HB1 ALA 76 -12.175 -4.678 -3.281 588 HB2 ALA 76 HB2 ALA 76 -11.276 -4.917 -1.768 589 HB3 ALA 76 HB3 ALA 76 -12.700 -3.855 -1.798 590 H ALA 77 H ALA 77 -8.958 -3.432 -1.087 591 HA ALA 77 HA ALA 77 -9.708 -1.624 1.046 592 HB1 ALA 77 HB1 ALA 77 -8.357 -3.711 1.338 593 HB2 ALA 77 HB2 ALA 77 -7.009 -2.924 0.491 594 HB3 ALA 77 HB3 ALA 77 -7.592 -2.264 2.029 595 H ILE 78 H ILE 78 -7.360 -1.381 -1.683 596 HA ILE 78 HA ILE 78 -6.407 1.261 -1.126 597 HB ILE 78 HB ILE 78 -6.909 0.034 -3.869 598 HG12 ILE 78 HG12 ILE 78 -5.480 -1.532 -2.868 599 HG13 ILE 78 HG13 ILE 78 -4.467 -0.537 -3.869 600 HG21 ILE 78 HG21 ILE 78 -6.488 2.458 -3.976 601 HG22 ILE 78 HG22 ILE 78 -4.987 2.236 -3.054 602 HG23 ILE 78 HG23 ILE 78 -5.154 1.538 -4.671 603 HD11 ILE 78 HD11 ILE 78 -3.662 0.678 -1.839 604 HD12 ILE 78 HD12 ILE 78 -4.692 -0.372 -0.830 605 HD13 ILE 78 HD13 ILE 78 -3.376 -1.072 -1.773 606 H THR 79 H THR 79 -9.126 0.220 -3.135 607 HA THR 79 HA THR 79 -10.133 2.740 -3.901 608 HB THR 79 HB THR 79 -11.713 0.169 -3.493 609 HG1 THR 79 HG1 THR 79 -10.103 -0.168 -4.943 610 HG21 THR 79 HG21 THR 79 -13.270 2.039 -3.789 611 HG22 THR 79 HG22 THR 79 -12.318 2.651 -5.163 612 HG23 THR 79 HG23 THR 79 -13.185 1.102 -5.285 613 H PHE 80 H PHE 80 -11.035 0.832 -0.962 614 HA PHE 80 HA PHE 80 -12.988 2.667 -0.002 615 HB2 PHE 80 HB2 PHE 80 -12.639 0.398 0.873 616 HB3 PHE 80 HB3 PHE 80 -11.078 0.868 1.534 617 HD1 PHE 80 HD1 PHE 80 -14.761 1.318 1.835 618 HD2 PHE 80 HD2 PHE 80 -10.917 2.176 3.586 619 HE1 PHE 80 HE1 PHE 80 -15.881 2.102 3.911 620 HE2 PHE 80 HE2 PHE 80 -12.038 2.959 5.662 621 HZ PHE 80 HZ PHE 80 -14.521 2.928 5.823 622 H TYR 81 H TYR 81 -9.422 2.620 0.584 623 HA TYR 81 HA TYR 81 -9.601 5.122 2.072 624 HB2 TYR 81 HB2 TYR 81 -7.215 3.470 1.257 625 HB3 TYR 81 HB3 TYR 81 -7.154 4.915 2.272 626 HD1 TYR 81 HD2 TYR 81 -9.076 4.855 4.252 627 HD2 TYR 81 HD1 TYR 81 -7.034 1.477 2.504 628 HE1 TYR 81 HE2 TYR 81 -9.464 3.547 6.329 629 HE2 TYR 81 HE1 TYR 81 -7.450 0.162 4.581 630 HH TYR 81 HH TYR 81 -9.154 1.558 7.403 631 H MET 82 H MET 82 -9.642 4.593 -1.243 632 HA MET 82 HA MET 82 -8.460 7.211 -1.971 633 HB2 MET 82 HB2 MET 82 -10.205 5.226 -3.484 634 HB3 MET 82 HB3 MET 82 -9.700 6.764 -4.149 635 HG2 MET 82 HG2 MET 82 -7.643 4.779 -3.158 636 HG3 MET 82 HG3 MET 82 -8.393 4.629 -4.745 637 HE1 MET 82 HE1 MET 82 -5.436 4.626 -4.774 638 HE2 MET 82 HE2 MET 82 -6.421 4.759 -6.246 639 HE3 MET 82 HE3 MET 82 -5.040 5.850 -6.008 640 H GLU 83 H GLU 83 -11.675 5.788 -1.330 641 HA GLU 83 HA GLU 83 -13.129 8.284 -1.793 642 HB2 GLU 83 HB2 GLU 83 -13.931 5.572 -0.669 643 HB3 GLU 83 HB3 GLU 83 -15.059 6.898 -0.928 644 HG2 GLU 83 HG2 GLU 83 -13.403 5.597 -3.137 645 HG3 GLU 83 HG3 GLU 83 -15.064 5.187 -2.744 646 H HIS 84 H HIS 84 -11.838 6.635 1.056 647 HA HIS 84 HA HIS 84 -12.873 8.819 2.824 648 HB2 HIS 84 HB2 HIS 84 -12.459 5.888 3.522 649 HB3 HIS 84 HB3 HIS 84 -13.097 7.142 4.582 650 HD1 HIS 84 HD1 HIS 84 -15.581 8.232 3.612 651 HD2 HIS 84 HD2 HIS 84 -14.217 4.527 2.160 652 HE1 HIS 84 HE1 HIS 84 -17.599 7.098 2.547 653 H GLU 85 H GLU 85 -11.535 9.420 4.634 654 HA GLU 85 HA GLU 85 -8.681 9.357 4.081 655 HB2 GLU 85 HB2 GLU 85 -10.217 10.339 6.508 656 HB3 GLU 85 HB3 GLU 85 -8.478 10.547 6.250 657 HG2 GLU 85 HG2 GLU 85 -8.901 11.824 4.186 658 HG3 GLU 85 HG3 GLU 85 -10.643 11.628 4.389 659 H LEU 86 H LEU 86 -7.043 8.239 5.051 660 HA LEU 86 HA LEU 86 -7.736 5.615 6.077 661 HB2 LEU 86 HB2 LEU 86 -5.956 6.323 4.351 662 HB3 LEU 86 HB3 LEU 86 -4.965 6.816 5.712 663 HG LEU 86 HG LEU 86 -6.019 4.029 5.113 664 HD11 LEU 86 HD11 LEU 86 -4.227 4.774 3.628 665 HD12 LEU 86 HD12 LEU 86 -3.226 5.226 5.023 666 HD13 LEU 86 HD13 LEU 86 -3.626 3.520 4.723 667 HD21 LEU 86 HD21 LEU 86 -4.334 4.974 7.442 668 HD22 LEU 86 HD22 LEU 86 -5.883 4.098 7.493 669 HD23 LEU 86 HD23 LEU 86 -4.437 3.275 6.927 670 H GLU 87 H GLU 87 -5.479 8.079 7.291 671 HA GLU 87 HA GLU 87 -6.552 7.786 10.062 672 HB2 GLU 87 HB2 GLU 87 -4.614 6.200 9.793 673 HB3 GLU 87 HB3 GLU 87 -3.601 7.581 9.364 674 HG2 GLU 87 HG2 GLU 87 -3.164 7.061 11.642 675 HG3 GLU 87 HG3 GLU 87 -4.058 8.571 11.633 676 H TYR 88 H TYR 88 -4.125 9.478 8.029 677 HA TYR 88 HA TYR 88 -4.801 12.085 9.348 678 HB2 TYR 88 HB2 TYR 88 -2.398 11.251 7.739 679 HB3 TYR 88 HB3 TYR 88 -2.586 12.785 8.520 680 HD1 TYR 88 HD2 TYR 88 -2.369 13.005 10.999 681 HD2 TYR 88 HD1 TYR 88 -1.756 9.232 8.997 682 HE1 TYR 88 HE2 TYR 88 -1.182 12.115 13.013 683 HE2 TYR 88 HE1 TYR 88 -0.598 8.347 11.005 684 HH TYR 88 HH TYR 88 0.052 8.757 13.158 685 H SER 89 H SER 89 -4.424 10.383 6.221 686 HA SER 89 HA SER 89 -6.199 12.340 4.927 687 HB2 SER 89 HB2 SER 89 -3.726 13.131 4.734 688 HB3 SER 89 HB3 SER 89 -3.512 11.759 3.635 689 HG SER 89 HG SER 89 -5.221 14.029 3.399 690 H SER 90 H SER 90 -6.450 11.702 2.497 691 HA SER 90 HA SER 90 -7.083 8.809 2.307 692 HB2 SER 90 HB2 SER 90 -8.297 9.516 0.253 693 HB3 SER 90 HB3 SER 90 -8.864 10.319 1.727 694 HG SER 90 HG SER 90 -8.566 11.799 -0.018 695 H LEU 91 H LEU 91 -6.602 7.635 0.369 696 HA LEU 91 HA LEU 91 -3.898 7.918 -0.696 697 HB2 LEU 91 HB2 LEU 91 -6.213 6.219 -1.711 698 HB3 LEU 91 HB3 LEU 91 -4.520 6.046 -2.134 699 HG LEU 91 HG LEU 91 -5.854 5.403 0.505 700 HD11 LEU 91 HD11 LEU 91 -6.025 3.744 -1.376 701 HD12 LEU 91 HD12 LEU 91 -4.254 3.674 -1.419 702 HD13 LEU 91 HD13 LEU 91 -5.135 3.120 0.018 703 HD21 LEU 91 HD21 LEU 91 -2.900 5.390 -0.126 704 HD22 LEU 91 HD22 LEU 91 -3.720 6.348 1.124 705 HD23 LEU 91 HD23 LEU 91 -3.626 4.588 1.278 706 H LYS 92 H LYS 92 -3.290 8.694 -2.689 707 HA LYS 92 HA LYS 92 -5.365 9.997 -4.433 708 HB2 LYS 92 HB2 LYS 92 -2.718 11.263 -3.573 709 HB3 LYS 92 HB3 LYS 92 -3.933 11.960 -4.653 710 HG2 LYS 92 HG2 LYS 92 -5.630 11.870 -2.809 711 HG3 LYS 92 HG3 LYS 92 -4.373 11.257 -1.732 712 HD2 LYS 92 HD2 LYS 92 -3.068 13.403 -2.211 713 HD3 LYS 92 HD3 LYS 92 -4.518 13.993 -3.029 714 HE2 LYS 92 HE2 LYS 92 -4.548 14.818 -0.754 715 HE3 LYS 92 HE3 LYS 92 -5.836 13.621 -0.931 716 HZ1 LYS 92 HZ1 LYS 92 -4.425 11.994 0.185 717 HZ2 LYS 92 HZ2 LYS 92 -3.174 13.066 0.263 718 HZ3 LYS 92 HZ3 LYS 92 -4.539 13.311 1.130 719 H GLN 93 H GLN 93 -2.050 8.663 -4.309 720 HA GLN 93 HA GLN 93 -2.376 7.794 -7.090 721 HB2 GLN 93 HB2 GLN 93 -0.347 8.884 -7.910 722 HB3 GLN 93 HB3 GLN 93 -1.531 10.074 -7.369 723 HG2 GLN 93 HG2 GLN 93 -0.257 10.256 -5.182 724 HG3 GLN 93 HG3 GLN 93 0.962 9.173 -5.855 725 HE21 GLN 93 HE22 GLN 93 2.007 11.358 -5.029 726 HE22 GLN 93 HE21 GLN 93 2.314 12.511 -6.338 727 HA PRO 94 HA PRO 94 0.386 4.568 -5.562 728 HB2 PRO 94 HB2 PRO 94 1.120 3.369 -7.889 729 HB3 PRO 94 HB3 PRO 94 -0.547 3.251 -7.248 730 HG2 PRO 94 HG2 PRO 94 0.457 5.146 -9.378 731 HG3 PRO 94 HG3 PRO 94 -0.996 4.090 -9.411 732 HD2 PRO 94 HD2 PRO 94 -1.119 6.723 -8.699 733 HD3 PRO 94 HD3 PRO 94 -2.178 5.491 -7.951 734 H LEU 95 H LEU 95 2.627 4.417 -5.217 735 HA LEU 95 HA LEU 95 4.417 6.477 -6.054 736 HB2 LEU 95 HB2 LEU 95 4.830 5.075 -4.082 737 HB3 LEU 95 HB3 LEU 95 4.941 3.637 -5.098 738 HG LEU 95 HG LEU 95 6.982 4.551 -6.192 739 HD11 LEU 95 HD11 LEU 95 6.641 6.983 -5.906 740 HD12 LEU 95 HD12 LEU 95 6.715 6.798 -4.142 741 HD13 LEU 95 HD13 LEU 95 8.148 6.486 -5.144 742 HD21 LEU 95 HD21 LEU 95 7.233 4.595 -3.172 743 HD22 LEU 95 HD22 LEU 95 7.096 3.112 -4.142 744 HD23 LEU 95 HD23 LEU 95 8.485 4.181 -4.364 745 H GLN 96 H GLN 96 5.658 6.740 -7.866 746 HA GLN 96 HA GLN 96 4.803 5.272 -10.202 747 HB2 GLN 96 HB2 GLN 96 6.868 7.481 -9.891 748 HB3 GLN 96 HB3 GLN 96 6.231 6.884 -11.424 749 HG2 GLN 96 HG2 GLN 96 4.580 8.244 -9.237 750 HG3 GLN 96 HG3 GLN 96 5.151 8.994 -10.718 751 HE21 GLN 96 HE22 GLN 96 2.601 6.973 -9.335 752 HE22 GLN 96 HE21 GLN 96 1.760 6.769 -10.866 753 H ARG 97 H ARG 97 5.864 3.926 -11.544 754 HA ARG 97 HA ARG 97 8.126 2.406 -10.441 755 HB2 ARG 97 HB2 ARG 97 7.622 0.741 -12.082 756 HB3 ARG 97 HB3 ARG 97 6.141 1.230 -11.263 757 HG2 ARG 97 HG2 ARG 97 5.554 2.664 -13.244 758 HG3 ARG 97 HG3 ARG 97 7.024 2.090 -14.058 759 HD2 ARG 97 HD2 ARG 97 6.184 -0.244 -13.903 760 HD3 ARG 97 HD3 ARG 97 4.703 0.353 -13.126 761 HE ARG 97 HE ARG 97 5.125 1.714 -15.616 762 HH11 ARG 97 HH11 ARG 97 4.030 -1.470 -14.508 763 HH12 ARG 97 HH12 ARG 97 3.096 -1.674 -15.995 764 HH21 ARG 97 HH21 ARG 97 3.876 1.232 -17.438 765 HH22 ARG 97 HH22 ARG 97 3.025 -0.316 -17.460 Start of MODEL 13 1 H1 GLY -6 H1 GLY -6 17.602 -4.128 -39.588 2 H2 GLY -6 H2 GLY -6 17.579 -4.989 -38.196 3 H3 GLY -6 H3 GLY -6 16.743 -5.522 -39.500 4 HA2 GLY -6 HA2 GLY -6 15.246 -3.649 -39.406 5 HA3 GLY -6 HA3 GLY -6 15.233 -4.567 -37.890 6 H SER -5 H SER -5 14.409 -2.590 -36.911 7 HA SER -5 HA SER -5 15.844 -0.130 -36.836 8 HB2 SER -5 HB2 SER -5 13.856 -1.246 -34.825 9 HB3 SER -5 HB3 SER -5 14.344 0.451 -34.991 10 HG SER -5 HG SER -5 12.372 -0.002 -36.093 11 H SER -4 H SER -4 17.129 0.851 -35.262 12 HA SER -4 HA SER -4 18.905 -0.920 -33.771 13 HB2 SER -4 HB2 SER -4 20.125 1.191 -33.302 14 HB3 SER -4 HB3 SER -4 19.841 0.899 -35.026 15 HG SER -4 HG SER -4 19.360 3.071 -34.413 16 H GLY -3 H GLY -3 16.146 1.058 -32.917 17 HA2 GLY -3 HA2 GLY -3 16.746 1.418 -30.116 18 HA3 GLY -3 HA3 GLY -3 15.176 1.622 -30.885 19 H SER -2 H SER -2 16.129 0.291 -28.330 20 HA SER -2 HA SER -2 15.117 -2.484 -28.667 21 HB2 SER -2 HB2 SER -2 16.213 -2.880 -26.493 22 HB3 SER -2 HB3 SER -2 17.327 -2.278 -27.729 23 HG SER -2 HG SER -2 17.592 -1.197 -25.709 24 H SER -1 H SER -1 13.764 0.426 -27.836 25 HA SER -1 HA SER -1 12.416 -0.042 -25.406 26 HB2 SER -1 HB2 SER -1 11.529 1.707 -27.728 27 HB3 SER -1 HB3 SER -1 11.005 1.847 -26.039 28 HG SER -1 HG SER -1 12.697 3.320 -26.540 29 H GLY 0 H GLY 0 10.283 -0.532 -24.865 30 HA2 GLY 0 HA2 GLY 0 8.219 -1.285 -26.709 31 HA3 GLY 0 HA3 GLY 0 8.988 -2.728 -26.036 32 H MET 1 H MET 1 6.347 -2.338 -25.564 33 HA MET 1 HA MET 1 5.926 -0.997 -22.966 34 HB2 MET 1 HB2 MET 1 4.007 -2.442 -24.826 35 HB3 MET 1 HB3 MET 1 3.554 -1.626 -23.324 36 HG2 MET 1 HG2 MET 1 4.464 0.507 -24.214 37 HG3 MET 1 HG3 MET 1 4.815 -0.284 -25.750 38 HE1 MET 1 HE1 MET 1 3.051 -1.028 -27.511 39 HE2 MET 1 HE2 MET 1 2.259 -2.119 -26.350 40 HE3 MET 1 HE3 MET 1 1.292 -0.956 -27.274 41 H ALA 2 H ALA 2 5.404 -1.957 -21.057 42 HA ALA 2 HA ALA 2 4.946 -4.839 -20.809 43 HB1 ALA 2 HB1 ALA 2 7.421 -4.706 -20.767 44 HB2 ALA 2 HB2 ALA 2 7.341 -3.493 -19.471 45 HB3 ALA 2 HB3 ALA 2 6.784 -5.154 -19.175 46 H GLU 3 H GLU 3 4.052 -5.432 -18.762 47 HA GLU 3 HA GLU 3 3.642 -3.495 -16.650 48 HB2 GLU 3 HB2 GLU 3 1.202 -3.585 -16.637 49 HB3 GLU 3 HB3 GLU 3 1.807 -2.815 -18.098 50 HG2 GLU 3 HG2 GLU 3 1.417 -4.948 -19.362 51 HG3 GLU 3 HG3 GLU 3 0.754 -5.670 -17.895 52 H ALA 4 H ALA 4 3.005 -4.442 -14.720 53 HA ALA 4 HA ALA 4 2.304 -7.277 -14.527 54 HB1 ALA 4 HB1 ALA 4 4.769 -7.402 -14.681 55 HB2 ALA 4 HB2 ALA 4 4.924 -6.240 -13.344 56 HB3 ALA 4 HB3 ALA 4 4.217 -7.843 -13.055 57 H ALA 5 H ALA 5 1.117 -7.698 -12.753 58 HA ALA 5 HA ALA 5 -0.271 -7.362 -11.004 59 HB1 ALA 5 HB1 ALA 5 1.925 -7.748 -9.909 60 HB2 ALA 5 HB2 ALA 5 2.147 -5.990 -9.770 61 HB3 ALA 5 HB3 ALA 5 0.820 -6.798 -8.910 62 H ALA 6 H ALA 6 -0.725 -5.458 -9.092 63 HA ALA 6 HA ALA 6 -2.045 -3.265 -10.498 64 HB1 ALA 6 HB1 ALA 6 -2.996 -4.331 -8.475 65 HB2 ALA 6 HB2 ALA 6 -1.602 -3.760 -7.524 66 HB3 ALA 6 HB3 ALA 6 -2.723 -2.597 -8.263 67 HA PRO 7 HA PRO 7 1.418 -0.622 -10.768 68 HB2 PRO 7 HB2 PRO 7 0.393 1.930 -10.555 69 HB3 PRO 7 HB3 PRO 7 0.124 0.854 -11.958 70 HG2 PRO 7 HG2 PRO 7 -1.702 1.288 -9.572 71 HG3 PRO 7 HG3 PRO 7 -2.129 1.331 -11.314 72 HD2 PRO 7 HD2 PRO 7 -2.548 -0.895 -9.842 73 HD3 PRO 7 HD3 PRO 7 -1.927 -1.028 -11.514 74 H TRP 8 H TRP 8 -0.520 -0.184 -7.853 75 HA TRP 8 HA TRP 8 1.549 1.209 -6.336 76 HB2 TRP 8 HB2 TRP 8 -0.166 0.529 -4.442 77 HB3 TRP 8 HB3 TRP 8 -0.477 1.830 -5.541 78 HD1 TRP 8 HD1 TRP 8 -2.527 1.674 -7.130 79 HE1 TRP 8 HE1 TRP 8 -4.506 0.051 -7.366 80 HE3 TRP 8 HE3 TRP 8 -0.783 -2.162 -4.236 81 HZ2 TRP 8 HZ2 TRP 8 -5.283 -2.516 -6.338 82 HZ3 TRP 8 HZ3 TRP 8 -2.181 -4.187 -3.854 83 HH2 TRP 8 HH2 TRP 8 -4.420 -4.380 -4.920 84 H TYR 9 H TYR 9 1.325 -2.092 -7.224 85 HA TYR 9 HA TYR 9 2.344 -3.090 -4.652 86 HB2 TYR 9 HB2 TYR 9 0.774 -4.401 -6.046 87 HB3 TYR 9 HB3 TYR 9 2.012 -4.530 -7.292 88 HD1 TYR 9 HD1 TYR 9 1.511 -5.143 -3.602 89 HD2 TYR 9 HD2 TYR 9 3.430 -6.431 -7.250 90 HE1 TYR 9 HE1 TYR 9 2.395 -7.158 -2.433 91 HE2 TYR 9 HE2 TYR 9 4.277 -8.457 -6.086 92 HH TYR 9 HH TYR 9 4.334 -9.649 -4.130 93 H HIS 10 H HIS 10 4.372 -3.370 -4.093 94 HA HIS 10 HA HIS 10 6.578 -3.084 -6.106 95 HB2 HIS 10 HB2 HIS 10 6.235 -1.871 -3.354 96 HB3 HIS 10 HB3 HIS 10 7.828 -2.077 -4.069 97 HD1 HIS 10 HD1 HIS 10 8.606 -0.308 -5.815 98 HD2 HIS 10 HD2 HIS 10 4.511 -0.203 -4.877 99 HE1 HIS 10 HE1 HIS 10 7.666 1.775 -6.949 100 H GLY 11 H GLY 11 5.227 -5.525 -4.449 101 HA2 GLY 11 HA2 GLY 11 6.041 -7.647 -3.939 102 HA3 GLY 11 HA3 GLY 11 7.552 -7.156 -4.687 103 HA PRO 12 HA PRO 12 8.532 -7.872 -0.242 104 HB2 PRO 12 HB2 PRO 12 11.129 -8.752 -1.490 105 HB3 PRO 12 HB3 PRO 12 10.191 -9.506 -0.162 106 HG2 PRO 12 HG2 PRO 12 10.091 -10.547 -2.648 107 HG3 PRO 12 HG3 PRO 12 8.563 -10.346 -1.721 108 HD2 PRO 12 HD2 PRO 12 9.746 -8.469 -3.807 109 HD3 PRO 12 HD3 PRO 12 8.099 -9.165 -3.729 110 H LEU 13 H LEU 13 8.575 -5.239 -1.155 111 HA LEU 13 HA LEU 13 11.136 -3.960 -0.797 112 HB2 LEU 13 HB2 LEU 13 8.970 -3.094 -1.978 113 HB3 LEU 13 HB3 LEU 13 8.412 -2.698 -0.357 114 HG LEU 13 HG LEU 13 10.481 -1.256 -0.077 115 HD11 LEU 13 HD11 LEU 13 11.927 -2.153 -1.839 116 HD12 LEU 13 HD12 LEU 13 10.692 -1.816 -3.072 117 HD13 LEU 13 HD13 LEU 13 11.518 -0.484 -2.253 118 HD21 LEU 13 HD21 LEU 13 8.604 -0.525 -2.360 119 HD22 LEU 13 HD22 LEU 13 8.245 -0.338 -0.631 120 HD23 LEU 13 HD23 LEU 13 9.553 0.600 -1.366 121 H SER 14 H SER 14 12.073 -3.096 1.039 122 HA SER 14 HA SER 14 10.996 -3.865 3.686 123 HB2 SER 14 HB2 SER 14 13.620 -2.565 2.867 124 HB3 SER 14 HB3 SER 14 13.181 -3.044 4.517 125 HG SER 14 HG SER 14 14.424 -4.652 3.413 126 H ARG 15 H ARG 15 10.951 -2.347 5.478 127 HA ARG 15 HA ARG 15 9.388 -0.024 5.114 128 HB2 ARG 15 HB2 ARG 15 11.232 -0.987 7.326 129 HB3 ARG 15 HB3 ARG 15 10.653 0.671 7.354 130 HG2 ARG 15 HG2 ARG 15 8.273 -0.222 7.134 131 HG3 ARG 15 HG3 ARG 15 8.961 -1.840 7.383 132 HD2 ARG 15 HD2 ARG 15 8.166 -0.960 9.512 133 HD3 ARG 15 HD3 ARG 15 9.945 -1.043 9.537 134 HE ARG 15 HE ARG 15 9.481 1.537 8.688 135 HH11 ARG 15 HH11 ARG 15 8.306 -0.106 11.567 136 HH12 ARG 15 HH12 ARG 15 8.284 1.387 12.468 137 HH21 ARG 15 HH21 ARG 15 9.521 3.234 9.807 138 HH22 ARG 15 HH22 ARG 15 8.956 3.304 11.480 139 H THR 16 H THR 16 12.931 -0.015 5.706 140 HA THR 16 HA THR 16 13.274 2.719 5.530 141 HB THR 16 HB THR 16 15.345 0.761 4.480 142 HG1 THR 16 HG1 THR 16 15.909 0.484 6.649 143 HG21 THR 16 HG21 THR 16 16.016 3.119 4.361 144 HG22 THR 16 HG22 THR 16 15.506 3.380 6.045 145 HG23 THR 16 HG23 THR 16 16.897 2.331 5.675 146 H ASP 17 H ASP 17 13.173 0.474 2.762 147 HA ASP 17 HA ASP 17 13.838 2.451 0.738 148 HB2 ASP 17 HB2 ASP 17 12.521 -0.291 0.674 149 HB3 ASP 17 HB3 ASP 17 12.792 0.670 -0.769 150 H ALA 18 H ALA 18 10.733 1.139 2.006 151 HA ALA 18 HA ALA 18 9.019 2.683 0.311 152 HB1 ALA 18 HB1 ALA 18 8.286 0.684 1.571 153 HB2 ALA 18 HB2 ALA 18 8.559 1.530 3.106 154 HB3 ALA 18 HB3 ALA 18 7.294 2.093 2.003 155 H GLU 19 H GLU 19 10.355 3.357 3.566 156 HA GLU 19 HA GLU 19 9.029 5.862 3.942 157 HB2 GLU 19 HB2 GLU 19 11.522 4.690 5.228 158 HB3 GLU 19 HB3 GLU 19 10.785 6.225 5.708 159 HG2 GLU 19 HG2 GLU 19 8.635 5.037 6.164 160 HG3 GLU 19 HG3 GLU 19 9.412 3.511 5.777 161 H ASN 20 H ASN 20 12.355 5.180 2.675 162 HA ASN 20 HA ASN 20 12.954 7.986 2.297 163 HB2 ASN 20 HB2 ASN 20 14.146 5.401 1.243 164 HB3 ASN 20 HB3 ASN 20 14.653 6.955 0.593 165 HD21 ASN 20 HD22 ASN 20 14.611 4.995 3.538 166 HD22 ASN 20 HD21 ASN 20 15.821 5.976 4.375 167 H SER 21 H SER 21 11.273 5.627 0.228 168 HA SER 21 HA SER 21 11.158 7.342 -2.100 169 HB2 SER 21 HB2 SER 21 9.302 5.068 -1.290 170 HB3 SER 21 HB3 SER 21 9.397 5.845 -2.881 171 HG SER 21 HG SER 21 11.339 4.254 -1.558 172 H LEU 22 H LEU 22 8.726 6.683 0.500 173 HA LEU 22 HA LEU 22 6.880 8.615 -0.621 174 HB2 LEU 22 HB2 LEU 22 6.937 6.734 1.682 175 HB3 LEU 22 HB3 LEU 22 5.887 8.118 1.836 176 HG LEU 22 HG LEU 22 4.614 7.554 -0.088 177 HD11 LEU 22 HD11 LEU 22 6.212 6.611 -1.658 178 HD12 LEU 22 HD12 LEU 22 6.556 5.258 -0.554 179 HD13 LEU 22 HD13 LEU 22 4.964 5.402 -1.332 180 HD21 LEU 22 HD21 LEU 22 5.166 5.033 1.537 181 HD22 LEU 22 HD22 LEU 22 4.281 6.448 2.136 182 HD23 LEU 22 HD23 LEU 22 3.637 5.518 0.763 183 H LEU 23 H LEU 23 9.401 8.947 1.862 184 HA LEU 23 HA LEU 23 8.448 11.493 2.831 185 HB2 LEU 23 HB2 LEU 23 10.018 9.980 4.031 186 HB3 LEU 23 HB3 LEU 23 11.245 10.291 2.799 187 HG LEU 23 HG LEU 23 11.312 12.686 3.490 188 HD11 LEU 23 HD11 LEU 23 9.037 12.990 4.386 189 HD12 LEU 23 HD12 LEU 23 9.357 11.792 5.662 190 HD13 LEU 23 HD13 LEU 23 10.227 13.341 5.638 191 HD21 LEU 23 HD21 LEU 23 11.655 10.707 5.779 192 HD22 LEU 23 HD22 LEU 23 12.841 11.035 4.496 193 HD23 LEU 23 HD23 LEU 23 12.416 12.309 5.650 194 H ARG 24 H ARG 24 10.304 10.567 -0.002 195 HA ARG 24 HA ARG 24 11.009 13.310 -0.763 196 HB2 ARG 24 HB2 ARG 24 12.358 11.294 -1.355 197 HB3 ARG 24 HB3 ARG 24 11.019 10.697 -2.338 198 HG2 ARG 24 HG2 ARG 24 11.244 12.690 -3.835 199 HG3 ARG 24 HG3 ARG 24 12.559 13.289 -2.810 200 HD2 ARG 24 HD2 ARG 24 13.518 12.207 -4.742 201 HD3 ARG 24 HD3 ARG 24 13.859 11.226 -3.307 202 HE ARG 24 HE ARG 24 11.434 10.452 -4.778 203 HH11 ARG 24 HH11 ARG 24 14.887 9.879 -4.618 204 HH12 ARG 24 HH12 ARG 24 14.755 8.316 -5.378 205 HH21 ARG 24 HH21 ARG 24 11.337 8.456 -5.745 206 HH22 ARG 24 HH22 ARG 24 12.794 7.540 -5.999 207 H MET 25 H MET 25 8.375 11.087 -1.415 208 HA MET 25 HA MET 25 7.154 12.661 -3.538 209 HB2 MET 25 HB2 MET 25 6.284 10.241 -1.920 210 HB3 MET 25 HB3 MET 25 5.280 10.942 -3.165 211 HG2 MET 25 HG2 MET 25 8.091 9.966 -3.620 212 HG3 MET 25 HG3 MET 25 6.666 9.009 -3.949 213 HE1 MET 25 HE1 MET 25 5.289 9.101 -6.113 214 HE2 MET 25 HE2 MET 25 4.599 10.590 -5.431 215 HE3 MET 25 HE3 MET 25 5.141 10.556 -7.122 216 HA PRO 26 HA PRO 26 4.376 15.191 -1.099 217 HB2 PRO 26 HB2 PRO 26 2.132 15.361 -2.638 218 HB3 PRO 26 HB3 PRO 26 3.687 16.122 -3.105 219 HG2 PRO 26 HG2 PRO 26 2.581 13.456 -3.997 220 HG3 PRO 26 HG3 PRO 26 3.239 14.771 -5.026 221 HD2 PRO 26 HD2 PRO 26 4.741 12.642 -4.282 222 HD3 PRO 26 HD3 PRO 26 5.473 14.257 -4.391 223 H GLU 27 H GLU 27 2.385 15.151 0.124 224 HA GLU 27 HA GLU 27 1.731 12.714 1.429 225 HB2 GLU 27 HB2 GLU 27 1.431 15.076 2.298 226 HB3 GLU 27 HB3 GLU 27 0.065 15.243 1.198 227 HG2 GLU 27 HG2 GLU 27 -0.775 13.022 2.485 228 HG3 GLU 27 HG3 GLU 27 0.332 13.612 3.719 229 H GLY 28 H GLY 28 0.308 11.145 1.118 230 HA2 GLY 28 HA2 GLY 28 -1.713 10.150 0.381 231 HA3 GLY 28 HA3 GLY 28 -1.885 11.407 -0.847 232 H THR 29 H THR 29 1.282 10.374 -0.950 233 HA THR 29 HA THR 29 0.895 8.585 -3.258 234 HB THR 29 HB THR 29 3.530 9.289 -1.875 235 HG1 THR 29 HG1 THR 29 2.761 11.164 -2.682 236 HG21 THR 29 HG21 THR 29 3.585 7.256 -3.291 237 HG22 THR 29 HG22 THR 29 2.867 8.171 -4.638 238 HG23 THR 29 HG23 THR 29 4.475 8.588 -4.011 239 H PHE 30 H PHE 30 0.787 6.354 -3.073 240 HA PHE 30 HA PHE 30 1.718 5.139 -0.521 241 HB2 PHE 30 HB2 PHE 30 -0.323 3.949 -0.272 242 HB3 PHE 30 HB3 PHE 30 -0.701 5.651 -0.441 243 HD1 PHE 30 HD1 PHE 30 -1.791 6.492 -2.534 244 HD2 PHE 30 HD2 PHE 30 -0.934 2.324 -1.960 245 HE1 PHE 30 HE1 PHE 30 -3.203 5.936 -4.502 246 HE2 PHE 30 HE2 PHE 30 -2.423 1.752 -3.867 247 HZ PHE 30 HZ PHE 30 -3.463 3.558 -5.212 248 H LEU 31 H LEU 31 1.837 2.847 -0.507 249 HA LEU 31 HA LEU 31 2.071 1.431 -3.059 250 HB2 LEU 31 HB2 LEU 31 4.365 0.742 -2.785 251 HB3 LEU 31 HB3 LEU 31 4.266 2.482 -2.813 252 HG LEU 31 HG LEU 31 4.385 2.334 -0.203 253 HD11 LEU 31 HD11 LEU 31 4.183 -0.119 0.145 254 HD12 LEU 31 HD12 LEU 31 5.532 -0.401 -0.973 255 HD13 LEU 31 HD13 LEU 31 5.792 0.415 0.585 256 HD21 LEU 31 HD21 LEU 31 6.757 1.570 -1.949 257 HD22 LEU 31 HD22 LEU 31 6.134 3.208 -1.654 258 HD23 LEU 31 HD23 LEU 31 6.836 2.296 -0.325 259 H VAL 32 H VAL 32 2.244 -0.866 -2.792 260 HA VAL 32 HA VAL 32 1.690 -1.888 -0.053 261 HB VAL 32 HB VAL 32 0.439 -2.967 -2.585 262 HG11 VAL 32 HG11 VAL 32 0.860 -4.791 -1.004 263 HG12 VAL 32 HG12 VAL 32 0.156 -3.837 0.323 264 HG13 VAL 32 HG13 VAL 32 -0.861 -4.407 -1.018 265 HG21 VAL 32 HG21 VAL 32 -0.755 -1.466 -0.201 266 HG22 VAL 32 HG22 VAL 32 -0.646 -0.874 -1.872 267 HG23 VAL 32 HG23 VAL 32 -1.696 -2.245 -1.497 268 H ARG 33 H ARG 33 2.868 -3.537 0.602 269 HA ARG 33 HA ARG 33 4.780 -4.856 -1.278 270 HB2 ARG 33 HB2 ARG 33 6.622 -4.421 0.261 271 HB3 ARG 33 HB3 ARG 33 5.862 -2.905 -0.222 272 HG2 ARG 33 HG2 ARG 33 4.536 -3.050 1.999 273 HG3 ARG 33 HG3 ARG 33 5.637 -4.362 2.436 274 HD2 ARG 33 HD2 ARG 33 7.543 -2.666 1.984 275 HD3 ARG 33 HD3 ARG 33 6.290 -1.446 1.859 276 HE ARG 33 HE ARG 33 5.948 -1.510 4.154 277 HH11 ARG 33 HH11 ARG 33 8.167 -4.146 3.351 278 HH12 ARG 33 HH12 ARG 33 8.318 -4.596 5.045 279 HH21 ARG 33 HH21 ARG 33 6.275 -2.195 6.282 280 HH22 ARG 33 HH22 ARG 33 7.317 -3.563 6.578 281 H ASP 34 H ASP 34 5.667 -6.835 -0.540 282 HA ASP 34 HA ASP 34 3.891 -8.558 1.032 283 HB2 ASP 34 HB2 ASP 34 5.181 -9.473 -0.807 284 HB3 ASP 34 HB3 ASP 34 6.687 -8.932 -0.081 285 H SER 35 H SER 35 4.001 -9.038 3.204 286 HA SER 35 HA SER 35 5.153 -6.999 4.796 287 HB2 SER 35 HB2 SER 35 3.079 -8.093 5.405 288 HB3 SER 35 HB3 SER 35 3.930 -9.623 5.662 289 HG SER 35 HG SER 35 3.507 -8.098 7.544 290 H THR 36 H THR 36 6.954 -6.704 5.778 291 HA THR 36 HA THR 36 9.045 -8.754 6.053 292 HB THR 36 HB THR 36 10.238 -6.769 7.190 293 HG1 THR 36 HG1 THR 36 8.612 -5.393 7.634 294 HG21 THR 36 HG21 THR 36 10.705 -7.442 4.879 295 HG22 THR 36 HG22 THR 36 9.325 -6.495 4.294 296 HG23 THR 36 HG23 THR 36 10.721 -5.682 5.047 297 H SER 37 H SER 37 6.309 -7.933 7.849 298 HA SER 37 HA SER 37 7.549 -8.563 10.490 299 HB2 SER 37 HB2 SER 37 4.853 -7.356 9.797 300 HB3 SER 37 HB3 SER 37 5.491 -7.625 11.429 301 HG SER 37 HG SER 37 5.860 -5.475 10.706 302 H SER 38 H SER 38 5.142 -9.826 8.198 303 HA SER 38 HA SER 38 4.823 -12.264 9.887 304 HB2 SER 38 HB2 SER 38 2.492 -10.708 8.743 305 HB3 SER 38 HB3 SER 38 2.411 -12.223 9.657 306 HG SER 38 HG SER 38 3.405 -11.010 11.429 307 HA PRO 39 HA PRO 39 5.273 -13.994 5.727 308 HB2 PRO 39 HB2 PRO 39 4.318 -16.476 7.161 309 HB3 PRO 39 HB3 PRO 39 5.647 -16.298 5.973 310 HG2 PRO 39 HG2 PRO 39 6.213 -16.453 8.612 311 HG3 PRO 39 HG3 PRO 39 7.049 -15.229 7.600 312 HD2 PRO 39 HD2 PRO 39 4.657 -14.838 9.425 313 HD3 PRO 39 HD3 PRO 39 6.138 -13.842 9.261 314 H GLY 40 H GLY 40 3.888 -14.211 4.037 315 HA2 GLY 40 HA2 GLY 40 2.002 -14.650 2.794 316 HA3 GLY 40 HA3 GLY 40 1.216 -15.312 4.224 317 H ASP 41 H ASP 41 2.104 -12.237 5.150 318 HA ASP 41 HA ASP 41 -0.528 -11.046 4.360 319 HB2 ASP 41 HB2 ASP 41 1.391 -10.308 6.593 320 HB3 ASP 41 HB3 ASP 41 -0.102 -9.458 6.210 321 H TYR 42 H TYR 42 -0.550 -8.685 3.965 322 HA TYR 42 HA TYR 42 1.911 -7.680 2.587 323 HB2 TYR 42 HB2 TYR 42 -0.997 -7.116 1.929 324 HB3 TYR 42 HB3 TYR 42 0.397 -6.397 1.136 325 HD1 TYR 42 HD1 TYR 42 2.011 -7.933 -0.100 326 HD2 TYR 42 HD2 TYR 42 -1.872 -9.204 1.262 327 HE1 TYR 42 HE1 TYR 42 2.071 -9.851 -1.713 328 HE2 TYR 42 HE2 TYR 42 -1.823 -11.109 -0.350 329 HH TYR 42 HH TYR 42 -0.631 -12.191 -1.980 330 H VAL 43 H VAL 43 1.994 -5.259 2.517 331 HA VAL 43 HA VAL 43 0.763 -3.909 4.883 332 HB VAL 43 HB VAL 43 3.698 -3.680 4.115 333 HG11 VAL 43 HG11 VAL 43 2.833 -1.566 5.049 334 HG12 VAL 43 HG12 VAL 43 2.130 -2.450 6.424 335 HG13 VAL 43 HG13 VAL 43 3.887 -2.368 6.215 336 HG21 VAL 43 HG21 VAL 43 2.414 -4.999 6.539 337 HG22 VAL 43 HG22 VAL 43 3.282 -5.815 5.223 338 HG23 VAL 43 HG23 VAL 43 4.160 -4.731 6.305 339 H LEU 44 H LEU 44 -0.067 -1.997 4.428 340 HA LEU 44 HA LEU 44 0.373 -0.651 1.811 341 HB2 LEU 44 HB2 LEU 44 -1.960 -0.966 2.502 342 HB3 LEU 44 HB3 LEU 44 -1.627 -0.279 4.073 343 HG LEU 44 HG LEU 44 -1.238 1.937 3.065 344 HD11 LEU 44 HD11 LEU 44 -0.415 1.475 0.873 345 HD12 LEU 44 HD12 LEU 44 -1.895 0.593 0.436 346 HD13 LEU 44 HD13 LEU 44 -1.934 2.351 0.709 347 HD21 LEU 44 HD21 LEU 44 -3.841 0.641 2.135 348 HD22 LEU 44 HD22 LEU 44 -3.520 1.231 3.781 349 HD23 LEU 44 HD23 LEU 44 -3.575 2.370 2.429 350 H SER 45 H SER 45 1.813 0.986 1.753 351 HA SER 45 HA SER 45 2.438 2.450 4.282 352 HB2 SER 45 HB2 SER 45 4.337 2.115 1.957 353 HB3 SER 45 HB3 SER 45 4.657 2.909 3.505 354 HG SER 45 HG SER 45 4.032 0.155 3.090 355 H CYS 46 H CYS 46 2.206 4.669 4.235 356 HA CYS 46 HA CYS 46 1.491 5.975 1.648 357 HB2 CYS 46 HB2 CYS 46 -0.567 5.069 2.803 358 HB3 CYS 46 HB3 CYS 46 -0.215 6.165 4.157 359 HG CYS 46 HG CYS 46 -2.127 7.191 2.677 360 H SER 47 H SER 47 2.023 8.185 1.485 361 HA SER 47 HA SER 47 3.664 9.337 3.610 362 HB2 SER 47 HB2 SER 47 3.816 11.224 2.031 363 HB3 SER 47 HB3 SER 47 4.406 9.696 1.378 364 HG SER 47 HG SER 47 3.009 11.020 -0.014 365 H GLU 48 H GLU 48 2.728 10.140 5.286 366 HA GLU 48 HA GLU 48 0.187 11.736 5.057 367 HB2 GLU 48 HB2 GLU 48 0.755 9.475 6.999 368 HB3 GLU 48 HB3 GLU 48 -0.446 10.695 7.269 369 HG2 GLU 48 HG2 GLU 48 -1.503 10.090 5.036 370 HG3 GLU 48 HG3 GLU 48 -0.394 8.716 4.961 371 H ASN 49 H ASN 49 0.166 13.638 6.078 372 HA ASN 49 HA ASN 49 0.775 15.408 7.296 373 HB2 ASN 49 HB2 ASN 49 -0.325 13.826 8.928 374 HB3 ASN 49 HB3 ASN 49 1.282 13.385 9.501 375 HD21 ASN 49 HD22 ASN 49 0.308 14.169 11.579 376 HD22 ASN 49 HD21 ASN 49 0.388 15.894 11.910 377 H GLY 50 H GLY 50 2.853 14.614 5.646 378 HA2 GLY 50 HA2 GLY 50 5.012 15.311 5.208 379 HA3 GLY 50 HA3 GLY 50 5.082 16.014 6.824 380 H LYS 51 H LYS 51 4.265 12.741 7.061 381 HA LYS 51 HA LYS 51 7.045 11.689 7.066 382 HB2 LYS 51 HB2 LYS 51 6.644 10.539 9.220 383 HB3 LYS 51 HB3 LYS 51 6.685 12.279 9.328 384 HG2 LYS 51 HG2 LYS 51 5.032 11.605 10.809 385 HG3 LYS 51 HG3 LYS 51 4.170 12.320 9.459 386 HD2 LYS 51 HD2 LYS 51 3.650 10.014 8.614 387 HD3 LYS 51 HD3 LYS 51 4.502 9.321 9.995 388 HE2 LYS 51 HE2 LYS 51 2.110 11.217 10.186 389 HE3 LYS 51 HE3 LYS 51 1.966 9.462 10.169 390 HZ1 LYS 51 HZ1 LYS 51 3.332 9.391 12.202 391 HZ2 LYS 51 HZ2 LYS 51 3.390 11.024 12.254 392 HZ3 LYS 51 HZ3 LYS 51 1.965 10.250 12.437 393 H VAL 52 H VAL 52 6.534 9.092 7.778 394 HA VAL 52 HA VAL 52 4.638 8.147 5.661 395 HB VAL 52 HB VAL 52 7.350 6.941 6.266 396 HG11 VAL 52 HG11 VAL 52 5.776 5.219 5.536 397 HG12 VAL 52 HG12 VAL 52 5.191 6.258 4.221 398 HG13 VAL 52 HG13 VAL 52 6.836 5.602 4.182 399 HG21 VAL 52 HG21 VAL 52 6.350 8.689 3.984 400 HG22 VAL 52 HG22 VAL 52 7.711 9.005 5.075 401 HG23 VAL 52 HG23 VAL 52 7.833 7.715 3.886 402 H THR 53 H THR 53 3.285 6.582 6.133 403 HA THR 53 HA THR 53 3.340 5.312 8.842 404 HB THR 53 HB THR 53 0.856 5.199 8.567 405 HG1 THR 53 HG1 THR 53 0.013 6.718 6.990 406 HG21 THR 53 HG21 THR 53 1.918 7.005 9.891 407 HG22 THR 53 HG22 THR 53 2.003 8.018 8.429 408 HG23 THR 53 HG23 THR 53 0.425 7.545 9.101 409 H HIS 54 H HIS 54 2.358 3.196 9.002 410 HA HIS 54 HA HIS 54 2.324 1.554 6.524 411 HB2 HIS 54 HB2 HIS 54 3.835 0.759 9.033 412 HB3 HIS 54 HB3 HIS 54 3.720 -0.140 7.525 413 HD1 HIS 54 HD1 HIS 54 5.050 1.176 5.341 414 HD2 HIS 54 HD2 HIS 54 5.831 2.412 9.294 415 HE1 HIS 54 HE1 HIS 54 7.273 2.411 5.282 416 H TYR 55 H TYR 55 0.752 0.065 6.505 417 HA TYR 55 HA TYR 55 -0.740 -0.664 9.000 418 HB2 TYR 55 HB2 TYR 55 -1.942 0.093 6.308 419 HB3 TYR 55 HB3 TYR 55 -2.817 -0.303 7.783 420 HD1 TYR 55 HD1 TYR 55 -2.519 1.260 9.829 421 HD2 TYR 55 HD2 TYR 55 -1.275 2.318 5.834 422 HE1 TYR 55 HE1 TYR 55 -2.451 3.667 10.479 423 HE2 TYR 55 HE2 TYR 55 -1.236 4.713 6.475 424 HH TYR 55 HH TYR 55 -1.681 6.272 8.153 425 H LYS 56 H LYS 56 -1.143 -2.866 9.164 426 HA LYS 56 HA LYS 56 -0.246 -4.647 7.042 427 HB2 LYS 56 HB2 LYS 56 -1.674 -5.142 9.676 428 HB3 LYS 56 HB3 LYS 56 -1.446 -6.404 8.471 429 HG2 LYS 56 HG2 LYS 56 1.068 -5.842 8.510 430 HG3 LYS 56 HG3 LYS 56 0.720 -4.857 9.937 431 HD2 LYS 56 HD2 LYS 56 1.475 -7.022 10.692 432 HD3 LYS 56 HD3 LYS 56 -0.261 -6.919 11.033 433 HE2 LYS 56 HE2 LYS 56 -0.699 -8.185 8.892 434 HE3 LYS 56 HE3 LYS 56 1.042 -8.325 8.646 435 HZ1 LYS 56 HZ1 LYS 56 1.177 -9.649 10.656 436 HZ2 LYS 56 HZ2 LYS 56 -0.432 -9.444 10.970 437 HZ3 LYS 56 HZ3 LYS 56 0.061 -10.295 9.655 438 H LEU 57 H LEU 57 -1.232 -5.708 5.579 439 HA LEU 57 HA LEU 57 -4.207 -5.640 5.230 440 HB2 LEU 57 HB2 LEU 57 -1.888 -5.749 3.274 441 HB3 LEU 57 HB3 LEU 57 -3.507 -6.245 2.799 442 HG LEU 57 HG LEU 57 -3.093 -3.524 4.004 443 HD11 LEU 57 HD11 LEU 57 -1.401 -3.516 2.325 444 HD12 LEU 57 HD12 LEU 57 -2.386 -4.435 1.194 445 HD13 LEU 57 HD13 LEU 57 -2.806 -2.752 1.546 446 HD21 LEU 57 HD21 LEU 57 -4.929 -4.538 1.797 447 HD22 LEU 57 HD22 LEU 57 -5.397 -4.408 3.503 448 HD23 LEU 57 HD23 LEU 57 -4.994 -2.946 2.583 449 H SER 58 H SER 58 -4.287 -7.348 6.744 450 HA SER 58 HA SER 58 -2.588 -9.716 6.543 451 HB2 SER 58 HB2 SER 58 -4.929 -9.094 8.369 452 HB3 SER 58 HB3 SER 58 -3.856 -10.498 8.518 453 HG SER 58 HG SER 58 -3.287 -8.666 9.861 454 H ALA 59 H ALA 59 -3.155 -11.817 5.992 455 HA ALA 59 HA ALA 59 -5.530 -12.078 4.259 456 HB1 ALA 59 HB1 ALA 59 -3.359 -12.836 3.443 457 HB2 ALA 59 HB2 ALA 59 -3.221 -13.973 4.803 458 HB3 ALA 59 HB3 ALA 59 -4.494 -14.192 3.582 459 H GLU 60 H GLU 60 -7.387 -12.998 4.824 460 HA GLU 60 HA GLU 60 -7.473 -15.142 6.915 461 HB2 GLU 60 HB2 GLU 60 -9.448 -12.831 6.671 462 HB3 GLU 60 HB3 GLU 60 -9.679 -14.289 7.640 463 HG2 GLU 60 HG2 GLU 60 -7.504 -13.677 8.849 464 HG3 GLU 60 HG3 GLU 60 -7.624 -12.096 8.067 465 H GLU 61 H GLU 61 -7.856 -16.903 5.683 466 HA GLU 61 HA GLU 61 -8.626 -18.275 4.036 467 HB2 GLU 61 HB2 GLU 61 -11.230 -16.929 4.815 468 HB3 GLU 61 HB3 GLU 61 -11.096 -18.398 3.849 469 HG2 GLU 61 HG2 GLU 61 -11.561 -19.164 5.998 470 HG3 GLU 61 HG3 GLU 61 -9.861 -19.513 5.721 471 H GLY 62 H GLY 62 -7.514 -15.907 2.997 472 HA2 GLY 62 HA2 GLY 62 -7.004 -15.306 0.776 473 HA3 GLY 62 HA3 GLY 62 -8.540 -15.967 0.223 474 H LYS 63 H LYS 63 -9.560 -14.139 2.720 475 HA LYS 63 HA LYS 63 -10.013 -11.663 1.132 476 HB2 LYS 63 HB2 LYS 63 -11.155 -12.639 3.785 477 HB3 LYS 63 HB3 LYS 63 -11.482 -11.059 3.090 478 HG2 LYS 63 HG2 LYS 63 -12.327 -12.212 0.995 479 HG3 LYS 63 HG3 LYS 63 -12.177 -13.754 1.857 480 HD2 LYS 63 HD2 LYS 63 -13.731 -12.903 3.610 481 HD3 LYS 63 HD3 LYS 63 -13.899 -11.378 2.710 482 HE2 LYS 63 HE2 LYS 63 -14.776 -12.631 0.752 483 HE3 LYS 63 HE3 LYS 63 -14.593 -14.152 1.634 484 HZ1 LYS 63 HZ1 LYS 63 -16.222 -13.336 3.256 485 HZ2 LYS 63 HZ2 LYS 63 -16.394 -11.928 2.441 486 HZ3 LYS 63 HZ3 LYS 63 -16.872 -13.330 1.760 487 H ILE 64 H ILE 64 -9.776 -9.599 2.232 488 HA ILE 64 HA ILE 64 -7.088 -9.420 3.542 489 HB ILE 64 HB ILE 64 -8.547 -7.666 1.549 490 HG12 ILE 64 HG12 ILE 64 -7.333 -9.557 0.569 491 HG13 ILE 64 HG13 ILE 64 -6.631 -8.020 0.120 492 HG21 ILE 64 HG21 ILE 64 -7.585 -6.090 3.103 493 HG22 ILE 64 HG22 ILE 64 -6.027 -6.943 3.095 494 HG23 ILE 64 HG23 ILE 64 -6.628 -6.111 1.636 495 HD11 ILE 64 HD11 ILE 64 -4.798 -8.365 1.797 496 HD12 ILE 64 HD12 ILE 64 -5.484 -9.963 2.173 497 HD13 ILE 64 HD13 ILE 64 -4.864 -9.620 0.551 498 H ARG 65 H ARG 65 -7.080 -8.836 5.554 499 HA ARG 65 HA ARG 65 -9.214 -7.095 6.709 500 HB2 ARG 65 HB2 ARG 65 -8.823 -9.320 7.770 501 HB3 ARG 65 HB3 ARG 65 -7.144 -8.892 8.022 502 HG2 ARG 65 HG2 ARG 65 -8.147 -8.551 10.111 503 HG3 ARG 65 HG3 ARG 65 -7.945 -6.930 9.465 504 HD2 ARG 65 HD2 ARG 65 -10.103 -7.018 10.469 505 HD3 ARG 65 HD3 ARG 65 -10.394 -7.042 8.721 506 HE ARG 65 HE ARG 65 -10.217 -9.731 9.453 507 HH11 ARG 65 HH11 ARG 65 -12.446 -7.158 10.462 508 HH12 ARG 65 HH12 ARG 65 -13.665 -8.343 10.843 509 HH21 ARG 65 HH21 ARG 65 -11.666 -11.027 9.924 510 HH22 ARG 65 HH22 ARG 65 -13.251 -10.554 10.549 511 H ILE 66 H ILE 66 -8.738 -5.031 7.192 512 HA ILE 66 HA ILE 66 -5.979 -4.305 7.959 513 HB ILE 66 HB ILE 66 -5.907 -3.809 5.665 514 HG12 ILE 66 HG12 ILE 66 -6.348 -1.143 7.020 515 HG13 ILE 66 HG13 ILE 66 -4.976 -2.163 7.410 516 HG21 ILE 66 HG21 ILE 66 -8.304 -3.648 5.119 517 HG22 ILE 66 HG22 ILE 66 -8.388 -2.074 5.943 518 HG23 ILE 66 HG23 ILE 66 -7.407 -2.282 4.479 519 HD11 ILE 66 HD11 ILE 66 -4.136 -2.025 5.135 520 HD12 ILE 66 HD12 ILE 66 -5.541 -1.072 4.616 521 HD13 ILE 66 HD13 ILE 66 -4.396 -0.399 5.784 522 H ASP 67 H ASP 67 -5.859 -3.056 9.637 523 HA ASP 67 HA ASP 67 -6.437 -2.214 11.627 524 HB2 ASP 67 HB2 ASP 67 -6.850 -0.176 10.394 525 HB3 ASP 67 HB3 ASP 67 -8.522 -0.642 10.092 526 H THR 68 H THR 68 -9.819 -2.179 10.634 527 HA THR 68 HA THR 68 -10.405 -4.702 12.130 528 HB THR 68 HB THR 68 -12.569 -3.632 12.859 529 HG1 THR 68 HG1 THR 68 -11.190 -1.209 12.382 530 HG21 THR 68 HG21 THR 68 -10.721 -3.930 14.458 531 HG22 THR 68 HG22 THR 68 -10.047 -2.355 13.997 532 HG23 THR 68 HG23 THR 68 -11.635 -2.448 14.785 533 H HIS 69 H HIS 69 -10.623 -3.036 9.203 534 HA HIS 69 HA HIS 69 -13.296 -3.879 8.392 535 HB2 HIS 69 HB2 HIS 69 -11.109 -2.389 6.893 536 HB3 HIS 69 HB3 HIS 69 -12.812 -2.505 6.437 537 HD1 HIS 69 HD1 HIS 69 -14.530 -1.210 8.372 538 HD2 HIS 69 HD2 HIS 69 -10.414 -0.337 8.286 539 HE1 HIS 69 HE1 HIS 69 -14.237 0.980 9.644 540 H LEU 70 H LEU 70 -13.720 -5.381 6.892 541 HA LEU 70 HA LEU 70 -11.490 -7.046 5.808 542 HB2 LEU 70 HB2 LEU 70 -12.954 -8.114 7.574 543 HB3 LEU 70 HB3 LEU 70 -14.311 -7.947 6.462 544 HG LEU 70 HG LEU 70 -12.970 -9.369 4.793 545 HD11 LEU 70 HD11 LEU 70 -10.723 -9.082 5.913 546 HD12 LEU 70 HD12 LEU 70 -11.325 -10.024 7.277 547 HD13 LEU 70 HD13 LEU 70 -11.178 -10.774 5.680 548 HD21 LEU 70 HD21 LEU 70 -13.706 -10.615 7.471 549 HD22 LEU 70 HD22 LEU 70 -14.819 -10.292 6.123 550 HD23 LEU 70 HD23 LEU 70 -13.520 -11.483 5.931 551 H PHE 71 H PHE 71 -11.356 -7.414 3.706 552 HA PHE 71 HA PHE 71 -13.522 -6.569 1.827 553 HB2 PHE 71 HB2 PHE 71 -10.532 -6.054 1.561 554 HB3 PHE 71 HB3 PHE 71 -11.776 -5.617 0.402 555 HD1 PHE 71 HD1 PHE 71 -13.518 -3.863 1.040 556 HD2 PHE 71 HD2 PHE 71 -10.052 -4.687 3.473 557 HE1 PHE 71 HE1 PHE 71 -13.900 -1.757 2.303 558 HE2 PHE 71 HE2 PHE 71 -10.425 -2.563 4.707 559 HZ PHE 71 HZ PHE 71 -12.367 -1.133 4.164 560 H ASP 72 H ASP 72 -13.451 -7.551 -0.267 561 HA ASP 72 HA ASP 72 -12.789 -10.326 -0.303 562 HB2 ASP 72 HB2 ASP 72 -14.591 -9.360 -1.630 563 HB3 ASP 72 HB3 ASP 72 -13.459 -8.330 -2.501 564 H ASN 73 H ASN 73 -10.979 -7.486 -1.397 565 HA ASN 73 HA ASN 73 -8.547 -9.035 -1.942 566 HB2 ASN 73 HB2 ASN 73 -8.436 -8.289 -4.314 567 HB3 ASN 73 HB3 ASN 73 -9.809 -9.345 -4.024 568 HD21 ASN 73 HD22 ASN 73 -11.883 -8.575 -4.535 569 HD22 ASN 73 HD21 ASN 73 -12.155 -6.910 -5.056 570 H LEU 74 H LEU 74 -6.798 -7.554 -2.843 571 HA LEU 74 HA LEU 74 -6.326 -5.404 -1.026 572 HB2 LEU 74 HB2 LEU 74 -4.979 -6.240 -3.619 573 HB3 LEU 74 HB3 LEU 74 -4.390 -4.938 -2.588 574 HG LEU 74 HG LEU 74 -4.617 -7.855 -1.758 575 HD11 LEU 74 HD11 LEU 74 -2.812 -7.379 -3.392 576 HD12 LEU 74 HD12 LEU 74 -2.205 -6.089 -2.327 577 HD13 LEU 74 HD13 LEU 74 -2.162 -7.780 -1.790 578 HD21 LEU 74 HD21 LEU 74 -3.550 -5.386 -0.338 579 HD22 LEU 74 HD22 LEU 74 -4.865 -6.434 0.216 580 HD23 LEU 74 HD23 LEU 74 -3.212 -7.051 0.200 581 H ASP 75 H ASP 75 -7.442 -5.298 -4.448 582 HA ASP 75 HA ASP 75 -7.106 -2.465 -4.742 583 HB2 ASP 75 HB2 ASP 75 -7.271 -4.068 -6.615 584 HB3 ASP 75 HB3 ASP 75 -8.954 -4.384 -6.210 585 H ALA 76 H ALA 76 -9.874 -4.402 -3.582 586 HA ALA 76 HA ALA 76 -11.687 -2.201 -3.220 587 HB1 ALA 76 HB1 ALA 76 -12.415 -4.536 -3.296 588 HB2 ALA 76 HB2 ALA 76 -11.487 -4.905 -1.827 589 HB3 ALA 76 HB3 ALA 76 -12.881 -3.803 -1.747 590 H ALA 77 H ALA 77 -9.209 -3.629 -1.036 591 HA ALA 77 HA ALA 77 -9.818 -1.963 1.224 592 HB1 ALA 77 HB1 ALA 77 -8.579 -4.117 1.316 593 HB2 ALA 77 HB2 ALA 77 -7.214 -3.357 0.468 594 HB3 ALA 77 HB3 ALA 77 -7.685 -2.786 2.079 595 H ILE 78 H ILE 78 -7.577 -1.512 -1.537 596 HA ILE 78 HA ILE 78 -6.541 1.064 -0.710 597 HB ILE 78 HB ILE 78 -6.851 -0.297 -3.412 598 HG12 ILE 78 HG12 ILE 78 -5.244 -1.424 -1.987 599 HG13 ILE 78 HG13 ILE 78 -4.431 -0.629 -3.313 600 HG21 ILE 78 HG21 ILE 78 -6.812 2.075 -3.910 601 HG22 ILE 78 HG22 ILE 78 -5.390 2.309 -2.874 602 HG23 ILE 78 HG23 ILE 78 -5.268 1.348 -4.352 603 HD11 ILE 78 HD11 ILE 78 -3.732 1.201 -1.736 604 HD12 ILE 78 HD12 ILE 78 -4.511 0.301 -0.410 605 HD13 ILE 78 HD13 ILE 78 -3.151 -0.404 -1.286 606 H THR 79 H THR 79 -9.211 0.212 -2.899 607 HA THR 79 HA THR 79 -10.152 2.792 -3.480 608 HB THR 79 HB THR 79 -11.800 0.245 -3.254 609 HG1 THR 79 HG1 THR 79 -10.202 -0.019 -4.725 610 HG21 THR 79 HG21 THR 79 -13.326 2.152 -3.417 611 HG22 THR 79 HG22 THR 79 -12.357 2.857 -4.731 612 HG23 THR 79 HG23 THR 79 -13.244 1.338 -4.981 613 H PHE 80 H PHE 80 -11.061 0.788 -0.642 614 HA PHE 80 HA PHE 80 -13.016 2.461 0.519 615 HB2 PHE 80 HB2 PHE 80 -12.341 0.189 1.233 616 HB3 PHE 80 HB3 PHE 80 -10.811 0.814 1.816 617 HD1 PHE 80 HD1 PHE 80 -14.519 1.044 2.317 618 HD2 PHE 80 HD2 PHE 80 -10.604 1.582 4.042 619 HE1 PHE 80 HE1 PHE 80 -15.542 1.272 4.571 620 HE2 PHE 80 HE2 PHE 80 -11.628 1.795 6.297 621 HZ PHE 80 HZ PHE 80 -14.096 1.638 6.562 622 H TYR 81 H TYR 81 -9.437 2.713 0.824 623 HA TYR 81 HA TYR 81 -9.696 5.248 2.296 624 HB2 TYR 81 HB2 TYR 81 -7.272 3.609 1.552 625 HB3 TYR 81 HB3 TYR 81 -7.249 5.082 2.521 626 HD1 TYR 81 HD1 TYR 81 -9.168 5.028 4.505 627 HD2 TYR 81 HD2 TYR 81 -7.073 1.645 2.834 628 HE1 TYR 81 HE1 TYR 81 -9.472 3.789 6.639 629 HE2 TYR 81 HE2 TYR 81 -7.405 0.398 4.969 630 HH TYR 81 HH TYR 81 -9.046 1.861 7.793 631 H MET 82 H MET 82 -9.880 4.612 -0.938 632 HA MET 82 HA MET 82 -8.608 7.154 -1.827 633 HB2 MET 82 HB2 MET 82 -10.406 5.144 -3.246 634 HB3 MET 82 HB3 MET 82 -9.832 6.626 -3.976 635 HG2 MET 82 HG2 MET 82 -7.862 4.609 -2.873 636 HG3 MET 82 HG3 MET 82 -8.601 4.420 -4.462 637 HE1 MET 82 HE1 MET 82 -5.585 4.372 -4.364 638 HE2 MET 82 HE2 MET 82 -6.557 4.366 -5.853 639 HE3 MET 82 HE3 MET 82 -5.179 5.476 -5.703 640 H GLU 83 H GLU 83 -11.789 5.814 -0.962 641 HA GLU 83 HA GLU 83 -13.342 8.110 -1.749 642 HB2 GLU 83 HB2 GLU 83 -14.083 5.684 -1.550 643 HB3 GLU 83 HB3 GLU 83 -14.037 5.878 0.200 644 HG2 GLU 83 HG2 GLU 83 -16.300 6.108 -0.489 645 HG3 GLU 83 HG3 GLU 83 -15.764 7.704 -0.003 646 H HIS 84 H HIS 84 -11.800 7.176 1.318 647 HA HIS 84 HA HIS 84 -12.298 9.876 2.418 648 HB2 HIS 84 HB2 HIS 84 -13.163 9.054 4.513 649 HB3 HIS 84 HB3 HIS 84 -14.194 8.509 3.206 650 HD1 HIS 84 HD1 HIS 84 -11.422 7.035 5.534 651 HD2 HIS 84 HD2 HIS 84 -14.647 5.923 3.047 652 HE1 HIS 84 HE1 HIS 84 -11.854 4.562 5.964 653 H GLU 85 H GLU 85 -11.121 10.198 4.510 654 HA GLU 85 HA GLU 85 -8.337 9.688 4.131 655 HB2 GLU 85 HB2 GLU 85 -9.872 10.728 6.525 656 HB3 GLU 85 HB3 GLU 85 -8.103 10.764 6.369 657 HG2 GLU 85 HG2 GLU 85 -8.309 12.155 4.328 658 HG3 GLU 85 HG3 GLU 85 -10.066 12.169 4.497 659 H LEU 86 H LEU 86 -6.855 8.460 5.228 660 HA LEU 86 HA LEU 86 -7.792 5.883 6.240 661 HB2 LEU 86 HB2 LEU 86 -5.946 6.389 4.525 662 HB3 LEU 86 HB3 LEU 86 -4.939 6.886 5.866 663 HG LEU 86 HG LEU 86 -6.163 4.132 5.454 664 HD11 LEU 86 HD11 LEU 86 -4.401 4.671 3.841 665 HD12 LEU 86 HD12 LEU 86 -3.307 5.132 5.164 666 HD13 LEU 86 HD13 LEU 86 -3.841 3.444 4.985 667 HD21 LEU 86 HD21 LEU 86 -4.322 5.140 7.632 668 HD22 LEU 86 HD22 LEU 86 -5.907 4.350 7.814 669 HD23 LEU 86 HD23 LEU 86 -4.530 3.418 7.242 670 H GLU 87 H GLU 87 -5.409 8.252 7.405 671 HA GLU 87 HA GLU 87 -6.456 8.016 10.201 672 HB2 GLU 87 HB2 GLU 87 -4.554 6.410 9.917 673 HB3 GLU 87 HB3 GLU 87 -3.527 7.755 9.420 674 HG2 GLU 87 HG2 GLU 87 -3.023 7.286 11.693 675 HG3 GLU 87 HG3 GLU 87 -3.889 8.812 11.677 676 H TYR 88 H TYR 88 -4.012 9.650 8.155 677 HA TYR 88 HA TYR 88 -4.697 12.303 9.377 678 HB2 TYR 88 HB2 TYR 88 -2.303 11.378 7.798 679 HB3 TYR 88 HB3 TYR 88 -2.484 12.968 8.456 680 HD1 TYR 88 HD2 TYR 88 -2.381 13.349 10.944 681 HD2 TYR 88 HD1 TYR 88 -1.530 9.509 9.168 682 HE1 TYR 88 HE2 TYR 88 -1.140 12.671 12.997 683 HE2 TYR 88 HE1 TYR 88 -0.285 8.838 11.216 684 HH TYR 88 HH TYR 88 0.086 11.026 14.027 685 H SER 89 H SER 89 -4.259 10.494 6.316 686 HA SER 89 HA SER 89 -5.923 12.459 4.871 687 HB2 SER 89 HB2 SER 89 -3.457 13.165 4.791 688 HB3 SER 89 HB3 SER 89 -3.170 11.721 3.806 689 HG SER 89 HG SER 89 -3.701 13.880 2.792 690 H SER 90 H SER 90 -6.161 11.734 2.491 691 HA SER 90 HA SER 90 -6.938 8.864 2.454 692 HB2 SER 90 HB2 SER 90 -8.165 9.501 0.396 693 HB3 SER 90 HB3 SER 90 -8.669 10.413 1.827 694 HG SER 90 HG SER 90 -8.367 11.765 -0.016 695 H LEU 91 H LEU 91 -6.617 7.665 0.420 696 HA LEU 91 HA LEU 91 -3.866 7.802 -0.600 697 HB2 LEU 91 HB2 LEU 91 -6.235 6.147 -1.554 698 HB3 LEU 91 HB3 LEU 91 -4.552 5.921 -2.000 699 HG LEU 91 HG LEU 91 -5.850 5.401 0.692 700 HD11 LEU 91 HD11 LEU 91 -6.109 3.693 -1.120 701 HD12 LEU 91 HD12 LEU 91 -4.343 3.569 -1.211 702 HD13 LEU 91 HD13 LEU 91 -5.200 3.086 0.269 703 HD21 LEU 91 HD21 LEU 91 -2.906 5.235 0.009 704 HD22 LEU 91 HD22 LEU 91 -3.656 6.314 1.204 705 HD23 LEU 91 HD23 LEU 91 -3.651 4.568 1.472 706 H LYS 92 H LYS 92 -3.210 8.759 -2.461 707 HA LYS 92 HA LYS 92 -5.262 10.104 -4.208 708 HB2 LYS 92 HB2 LYS 92 -2.523 11.191 -3.452 709 HB3 LYS 92 HB3 LYS 92 -3.756 11.978 -4.442 710 HG2 LYS 92 HG2 LYS 92 -5.315 12.035 -2.485 711 HG3 LYS 92 HG3 LYS 92 -4.063 11.271 -1.497 712 HD2 LYS 92 HD2 LYS 92 -2.561 13.261 -2.277 713 HD3 LYS 92 HD3 LYS 92 -4.087 14.056 -2.679 714 HE2 LYS 92 HE2 LYS 92 -4.851 13.919 -0.372 715 HE3 LYS 92 HE3 LYS 92 -3.565 12.781 0.043 716 HZ1 LYS 92 HZ1 LYS 92 -1.950 14.555 -0.440 717 HZ2 LYS 92 HZ2 LYS 92 -3.172 15.642 -0.621 718 HZ3 LYS 92 HZ3 LYS 92 -2.908 14.922 0.837 719 H GLN 93 H GLN 93 -1.974 8.681 -4.179 720 HA GLN 93 HA GLN 93 -2.374 7.819 -6.956 721 HB2 GLN 93 HB2 GLN 93 -0.350 8.886 -7.809 722 HB3 GLN 93 HB3 GLN 93 -1.504 10.087 -7.231 723 HG2 GLN 93 HG2 GLN 93 -0.174 10.239 -5.075 724 HG3 GLN 93 HG3 GLN 93 1.011 9.140 -5.784 725 HE21 GLN 93 HE22 GLN 93 2.163 11.273 -5.000 726 HE22 GLN 93 HE21 GLN 93 2.433 12.437 -6.305 727 HA PRO 94 HA PRO 94 0.348 4.521 -5.496 728 HB2 PRO 94 HB2 PRO 94 0.988 3.307 -7.839 729 HB3 PRO 94 HB3 PRO 94 -0.671 3.236 -7.170 730 HG2 PRO 94 HG2 PRO 94 0.352 5.125 -9.298 731 HG3 PRO 94 HG3 PRO 94 -1.121 4.094 -9.325 732 HD2 PRO 94 HD2 PRO 94 -1.197 6.720 -8.584 733 HD3 PRO 94 HD3 PRO 94 -2.254 5.497 -7.818 734 H LEU 95 H LEU 95 2.612 4.225 -5.320 735 HA LEU 95 HA LEU 95 4.415 6.286 -6.264 736 HB2 LEU 95 HB2 LEU 95 4.738 5.063 -4.136 737 HB3 LEU 95 HB3 LEU 95 4.900 3.551 -5.020 738 HG LEU 95 HG LEU 95 6.985 4.413 -6.095 739 HD11 LEU 95 HD11 LEU 95 6.577 6.870 -5.916 740 HD12 LEU 95 HD12 LEU 95 6.653 6.736 -4.149 741 HD13 LEU 95 HD13 LEU 95 8.092 6.410 -5.137 742 HD21 LEU 95 HD21 LEU 95 7.128 4.586 -3.085 743 HD22 LEU 95 HD22 LEU 95 7.040 3.064 -4.011 744 HD23 LEU 95 HD23 LEU 95 8.423 4.145 -4.218 745 H GLN 96 H GLN 96 6.114 6.122 -7.746 746 HA GLN 96 HA GLN 96 5.549 4.498 -10.140 747 HB2 GLN 96 HB2 GLN 96 7.366 6.863 -9.557 748 HB3 GLN 96 HB3 GLN 96 7.416 5.978 -11.077 749 HG2 GLN 96 HG2 GLN 96 6.050 8.017 -11.252 750 HG3 GLN 96 HG3 GLN 96 5.136 6.557 -11.615 751 HE21 GLN 96 HE22 GLN 96 3.105 6.482 -10.656 752 HE22 GLN 96 HE21 GLN 96 2.750 7.187 -9.084 753 H ARG 97 H ARG 97 6.983 3.118 -11.130 754 HA ARG 97 HA ARG 97 9.019 1.812 -9.400 755 HB2 ARG 97 HB2 ARG 97 7.733 0.965 -12.020 756 HB3 ARG 97 HB3 ARG 97 8.967 0.045 -11.154 757 HG2 ARG 97 HG2 ARG 97 7.470 -0.199 -9.201 758 HG3 ARG 97 HG3 ARG 97 6.213 0.749 -10.028 759 HD2 ARG 97 HD2 ARG 97 6.185 -0.906 -11.867 760 HD3 ARG 97 HD3 ARG 97 7.390 -1.885 -11.010 761 HE ARG 97 HE ARG 97 5.463 -1.745 -9.126 762 HH11 ARG 97 HH11 ARG 97 5.109 -2.516 -12.548 763 HH12 ARG 97 HH12 ARG 97 3.738 -3.567 -12.207 764 HH21 ARG 97 HH21 ARG 97 3.732 -3.047 -8.862 765 HH22 ARG 97 HH22 ARG 97 2.920 -3.741 -10.256 Start of MODEL 14 1 H1 GLY -6 H1 GLY -6 9.033 0.980 -37.121 2 H2 GLY -6 H2 GLY -6 7.664 1.523 -36.404 3 H3 GLY -6 H3 GLY -6 7.576 0.396 -37.593 4 HA2 GLY -6 HA2 GLY -6 8.428 1.954 -39.228 5 HA3 GLY -6 HA3 GLY -6 6.922 2.523 -38.486 6 H SER -5 H SER -5 7.045 4.693 -38.176 7 HA SER -5 HA SER -5 9.485 6.156 -37.616 8 HB2 SER -5 HB2 SER -5 7.908 8.034 -37.192 9 HB3 SER -5 HB3 SER -5 7.651 7.231 -38.751 10 HG SER -5 HG SER -5 5.676 7.599 -37.616 11 H SER -4 H SER -4 7.191 4.469 -35.640 12 HA SER -4 HA SER -4 8.856 4.952 -33.235 13 HB2 SER -4 HB2 SER -4 6.767 6.381 -33.152 14 HB3 SER -4 HB3 SER -4 5.818 4.882 -33.143 15 HG SER -4 HG SER -4 6.285 5.720 -31.021 16 H GLY -3 H GLY -3 8.219 3.233 -31.526 17 HA2 GLY -3 HA2 GLY -3 7.133 0.707 -32.188 18 HA3 GLY -3 HA3 GLY -3 8.852 0.653 -32.584 19 H SER -2 H SER -2 8.577 -1.106 -30.913 20 HA SER -2 HA SER -2 8.962 -2.018 -28.890 21 HB2 SER -2 HB2 SER -2 10.536 0.510 -28.343 22 HB3 SER -2 HB3 SER -2 10.733 -1.052 -27.535 23 HG SER -2 HG SER -2 11.387 -1.963 -29.500 24 H SER -1 H SER -1 6.482 -0.534 -29.003 25 HA SER -1 HA SER -1 5.941 -0.284 -26.077 26 HB2 SER -1 HB2 SER -1 4.970 1.608 -28.252 27 HB3 SER -1 HB3 SER -1 4.327 1.553 -26.600 28 HG SER -1 HG SER -1 5.967 3.153 -26.869 29 H GLY 0 H GLY 0 3.822 -0.812 -25.425 30 HA2 GLY 0 HA2 GLY 0 1.675 -1.643 -27.091 31 HA3 GLY 0 HA3 GLY 0 2.643 -3.063 -26.686 32 H MET 1 H MET 1 0.409 -3.561 -25.744 33 HA MET 1 HA MET 1 -0.364 -2.296 -23.234 34 HB2 MET 1 HB2 MET 1 -1.259 -4.899 -24.522 35 HB3 MET 1 HB3 MET 1 -1.991 -4.169 -23.094 36 HG2 MET 1 HG2 MET 1 -1.921 -2.917 -25.870 37 HG3 MET 1 HG3 MET 1 -3.276 -3.750 -25.131 38 HE1 MET 1 HE1 MET 1 -0.858 -0.565 -24.594 39 HE2 MET 1 HE2 MET 1 -1.912 -0.435 -26.020 40 HE3 MET 1 HE3 MET 1 -2.159 0.638 -24.627 41 H ALA 2 H ALA 2 -0.245 -3.093 -21.155 42 HA ALA 2 HA ALA 2 2.046 -4.892 -20.596 43 HB1 ALA 2 HB1 ALA 2 2.071 -2.612 -19.665 44 HB2 ALA 2 HB2 ALA 2 0.546 -2.939 -18.808 45 HB3 ALA 2 HB3 ALA 2 2.020 -3.837 -18.385 46 H GLU 3 H GLU 3 1.952 -6.426 -18.878 47 HA GLU 3 HA GLU 3 -0.736 -7.580 -18.250 48 HB2 GLU 3 HB2 GLU 3 0.114 -9.804 -18.651 49 HB3 GLU 3 HB3 GLU 3 0.289 -8.811 -20.093 50 HG2 GLU 3 HG2 GLU 3 2.704 -8.482 -19.587 51 HG3 GLU 3 HG3 GLU 3 2.538 -9.461 -18.132 52 H ALA 4 H ALA 4 1.544 -6.002 -16.728 53 HA ALA 4 HA ALA 4 2.278 -7.821 -14.567 54 HB1 ALA 4 HB1 ALA 4 3.826 -6.117 -15.457 55 HB2 ALA 4 HB2 ALA 4 2.716 -4.829 -14.931 56 HB3 ALA 4 HB3 ALA 4 3.513 -5.867 -13.731 57 H ALA 5 H ALA 5 2.028 -7.116 -12.271 58 HA ALA 5 HA ALA 5 -0.717 -6.768 -11.476 59 HB1 ALA 5 HB1 ALA 5 0.933 -8.082 -10.193 60 HB2 ALA 5 HB2 ALA 5 1.877 -6.606 -9.874 61 HB3 ALA 5 HB3 ALA 5 0.244 -6.786 -9.200 62 H ALA 6 H ALA 6 -1.432 -5.072 -9.915 63 HA ALA 6 HA ALA 6 -1.630 -2.604 -11.146 64 HB1 ALA 6 HB1 ALA 6 -3.195 -3.522 -9.467 65 HB2 ALA 6 HB2 ALA 6 -1.982 -3.265 -8.188 66 HB3 ALA 6 HB3 ALA 6 -2.693 -1.880 -9.042 67 HA PRO 7 HA PRO 7 2.106 -0.500 -10.681 68 HB2 PRO 7 HB2 PRO 7 1.430 2.171 -10.434 69 HB3 PRO 7 HB3 PRO 7 1.278 1.215 -11.939 70 HG2 PRO 7 HG2 PRO 7 -0.875 1.770 -9.867 71 HG3 PRO 7 HG3 PRO 7 -0.972 1.987 -11.646 72 HD2 PRO 7 HD2 PRO 7 -1.948 -0.238 -10.506 73 HD3 PRO 7 HD3 PRO 7 -0.991 -0.375 -12.014 74 H TRP 8 H TRP 8 -0.145 0.193 -8.024 75 HA TRP 8 HA TRP 8 1.842 1.301 -6.231 76 HB2 TRP 8 HB2 TRP 8 -0.030 0.773 -4.528 77 HB3 TRP 8 HB3 TRP 8 -0.284 1.996 -5.736 78 HD1 TRP 8 HD1 TRP 8 -2.264 1.730 -7.380 79 HE1 TRP 8 HE1 TRP 8 -4.227 0.091 -7.589 80 HE3 TRP 8 HE3 TRP 8 -0.592 -1.940 -4.243 81 HZ2 TRP 8 HZ2 TRP 8 -4.986 -2.470 -6.518 82 HZ3 TRP 8 HZ3 TRP 8 -1.971 -3.972 -3.826 83 HH2 TRP 8 HH2 TRP 8 -4.152 -4.258 -4.981 84 H TYR 9 H TYR 9 1.371 -1.988 -7.210 85 HA TYR 9 HA TYR 9 2.317 -3.093 -4.639 86 HB2 TYR 9 HB2 TYR 9 0.666 -4.277 -6.082 87 HB3 TYR 9 HB3 TYR 9 1.903 -4.454 -7.316 88 HD1 TYR 9 HD1 TYR 9 1.208 -5.199 -3.693 89 HD2 TYR 9 HD2 TYR 9 3.361 -6.331 -7.259 90 HE1 TYR 9 HE1 TYR 9 2.002 -7.273 -2.559 91 HE2 TYR 9 HE2 TYR 9 4.139 -8.406 -6.128 92 HH TYR 9 HH TYR 9 4.078 -9.676 -4.226 93 H HIS 10 H HIS 10 4.356 -3.107 -4.051 94 HA HIS 10 HA HIS 10 6.547 -3.145 -6.101 95 HB2 HIS 10 HB2 HIS 10 6.357 -1.824 -3.382 96 HB3 HIS 10 HB3 HIS 10 7.897 -2.110 -4.187 97 HD1 HIS 10 HD1 HIS 10 8.614 -0.416 -6.053 98 HD2 HIS 10 HD2 HIS 10 4.610 -0.116 -4.813 99 HE1 HIS 10 HE1 HIS 10 7.671 1.677 -7.170 100 H GLY 11 H GLY 11 5.037 -5.292 -4.088 101 HA2 GLY 11 HA2 GLY 11 5.622 -7.403 -3.370 102 HA3 GLY 11 HA3 GLY 11 6.947 -7.294 -4.515 103 HA PRO 12 HA PRO 12 8.970 -7.791 -0.472 104 HB2 PRO 12 HB2 PRO 12 11.343 -8.857 -1.223 105 HB3 PRO 12 HB3 PRO 12 9.801 -9.725 -1.443 106 HG2 PRO 12 HG2 PRO 12 11.260 -8.029 -3.504 107 HG3 PRO 12 HG3 PRO 12 10.691 -9.723 -3.678 108 HD2 PRO 12 HD2 PRO 12 9.208 -7.594 -4.534 109 HD3 PRO 12 HD3 PRO 12 8.441 -9.051 -3.832 110 H LEU 13 H LEU 13 8.715 -5.177 -1.083 111 HA LEU 13 HA LEU 13 11.286 -3.772 -1.089 112 HB2 LEU 13 HB2 LEU 13 8.995 -2.979 -2.037 113 HB3 LEU 13 HB3 LEU 13 8.523 -2.731 -0.362 114 HG LEU 13 HG LEU 13 10.460 -1.118 -0.129 115 HD11 LEU 13 HD11 LEU 13 11.897 -1.822 -1.987 116 HD12 LEU 13 HD12 LEU 13 10.586 -1.535 -3.153 117 HD13 LEU 13 HD13 LEU 13 11.337 -0.175 -2.305 118 HD21 LEU 13 HD21 LEU 13 8.423 -0.469 -2.295 119 HD22 LEU 13 HD22 LEU 13 8.149 -0.359 -0.543 120 HD23 LEU 13 HD23 LEU 13 9.334 0.700 -1.316 121 H SER 14 H SER 14 12.219 -2.728 0.802 122 HA SER 14 HA SER 14 11.388 -3.862 3.411 123 HB2 SER 14 HB2 SER 14 13.362 -3.057 4.328 124 HB3 SER 14 HB3 SER 14 13.826 -3.663 2.735 125 HG SER 14 HG SER 14 14.217 -1.660 2.070 126 H ARG 15 H ARG 15 11.116 -2.418 5.303 127 HA ARG 15 HA ARG 15 9.256 -0.227 4.885 128 HB2 ARG 15 HB2 ARG 15 10.930 -1.062 7.301 129 HB3 ARG 15 HB3 ARG 15 9.742 0.250 7.328 130 HG2 ARG 15 HG2 ARG 15 7.951 -1.277 6.703 131 HG3 ARG 15 HG3 ARG 15 9.086 -2.626 6.570 132 HD2 ARG 15 HD2 ARG 15 9.649 -2.388 8.978 133 HD3 ARG 15 HD3 ARG 15 8.463 -1.093 9.131 134 HE ARG 15 HE ARG 15 7.961 -3.987 8.945 135 HH11 ARG 15 HH11 ARG 15 6.393 -0.856 8.720 136 HH12 ARG 15 HH12 ARG 15 4.823 -1.548 9.037 137 HH21 ARG 15 HH21 ARG 15 5.997 -4.780 9.233 138 HH22 ARG 15 HH22 ARG 15 4.594 -3.737 9.308 139 H THR 16 H THR 16 12.749 -0.321 5.526 140 HA THR 16 HA THR 16 13.243 2.466 5.612 141 HB THR 16 HB THR 16 15.114 0.338 4.501 142 HG1 THR 16 HG1 THR 16 15.762 0.091 6.644 143 HG21 THR 16 HG21 THR 16 15.997 2.618 4.236 144 HG22 THR 16 HG22 THR 16 15.629 2.984 5.938 145 HG23 THR 16 HG23 THR 16 16.875 1.784 5.522 146 H ASP 17 H ASP 17 13.187 0.271 2.759 147 HA ASP 17 HA ASP 17 13.825 2.344 0.835 148 HB2 ASP 17 HB2 ASP 17 12.502 -0.378 0.576 149 HB3 ASP 17 HB3 ASP 17 12.846 0.668 -0.796 150 H ALA 18 H ALA 18 10.701 1.044 2.067 151 HA ALA 18 HA ALA 18 9.020 2.623 0.390 152 HB1 ALA 18 HB1 ALA 18 8.237 0.673 1.687 153 HB2 ALA 18 HB2 ALA 18 8.538 1.540 3.206 154 HB3 ALA 18 HB3 ALA 18 7.290 2.120 2.093 155 H GLU 19 H GLU 19 10.385 3.342 3.650 156 HA GLU 19 HA GLU 19 9.275 5.965 3.909 157 HB2 GLU 19 HB2 GLU 19 11.786 4.722 5.067 158 HB3 GLU 19 HB3 GLU 19 11.225 6.344 5.471 159 HG2 GLU 19 HG2 GLU 19 9.101 5.444 6.319 160 HG3 GLU 19 HG3 GLU 19 9.601 3.809 5.936 161 H ASN 20 H ASN 20 12.459 4.963 2.527 162 HA ASN 20 HA ASN 20 13.251 7.663 1.891 163 HB2 ASN 20 HB2 ASN 20 14.186 4.906 1.025 164 HB3 ASN 20 HB3 ASN 20 14.794 6.350 0.222 165 HD21 ASN 20 HD22 ASN 20 14.658 4.705 3.374 166 HD22 ASN 20 HD21 ASN 20 16.004 5.626 4.053 167 H SER 21 H SER 21 11.294 5.315 0.074 168 HA SER 21 HA SER 21 11.241 6.847 -2.384 169 HB2 SER 21 HB2 SER 21 9.245 4.802 -1.330 170 HB3 SER 21 HB3 SER 21 9.331 5.439 -2.982 171 HG SER 21 HG SER 21 11.253 3.864 -1.598 172 H LEU 22 H LEU 22 8.952 6.652 0.395 173 HA LEU 22 HA LEU 22 7.149 8.584 -0.840 174 HB2 LEU 22 HB2 LEU 22 7.193 6.848 1.586 175 HB3 LEU 22 HB3 LEU 22 6.206 8.280 1.675 176 HG LEU 22 HG LEU 22 4.840 7.651 -0.160 177 HD11 LEU 22 HD11 LEU 22 6.392 6.646 -1.741 178 HD12 LEU 22 HD12 LEU 22 6.726 5.310 -0.612 179 HD13 LEU 22 HD13 LEU 22 5.120 5.476 -1.364 180 HD21 LEU 22 HD21 LEU 22 5.423 5.213 1.578 181 HD22 LEU 22 HD22 LEU 22 4.471 6.633 2.063 182 HD23 LEU 22 HD23 LEU 22 3.901 5.582 0.736 183 H LEU 23 H LEU 23 9.719 8.905 1.599 184 HA LEU 23 HA LEU 23 9.004 11.515 2.503 185 HB2 LEU 23 HB2 LEU 23 10.653 10.004 3.561 186 HB3 LEU 23 HB3 LEU 23 11.726 10.187 2.172 187 HG LEU 23 HG LEU 23 12.031 12.591 2.725 188 HD11 LEU 23 HD11 LEU 23 9.902 13.096 3.855 189 HD12 LEU 23 HD12 LEU 23 10.295 11.948 5.156 190 HD13 LEU 23 HD13 LEU 23 11.254 13.430 4.939 191 HD21 LEU 23 HD21 LEU 23 12.516 10.709 5.069 192 HD22 LEU 23 HD22 LEU 23 13.556 10.886 3.639 193 HD23 LEU 23 HD23 LEU 23 13.358 12.244 4.759 194 H ARG 24 H ARG 24 10.393 10.466 -0.517 195 HA ARG 24 HA ARG 24 11.132 13.189 -1.407 196 HB2 ARG 24 HB2 ARG 24 11.239 10.469 -2.778 197 HB3 ARG 24 HB3 ARG 24 11.820 11.977 -3.491 198 HG2 ARG 24 HG2 ARG 24 13.496 12.243 -1.726 199 HG3 ARG 24 HG3 ARG 24 12.900 10.797 -0.891 200 HD2 ARG 24 HD2 ARG 24 13.452 9.424 -2.886 201 HD3 ARG 24 HD3 ARG 24 14.120 10.868 -3.679 202 HE ARG 24 HE ARG 24 15.383 10.603 -1.154 203 HH11 ARG 24 HH11 ARG 24 15.339 8.827 -4.172 204 HH12 ARG 24 HH12 ARG 24 16.926 8.155 -3.907 205 HH21 ARG 24 HH21 ARG 24 17.400 9.710 -0.876 206 HH22 ARG 24 HH22 ARG 24 18.058 8.651 -2.087 207 H MET 25 H MET 25 8.246 11.401 -1.364 208 HA MET 25 HA MET 25 7.185 12.593 -3.867 209 HB2 MET 25 HB2 MET 25 6.322 10.284 -2.095 210 HB3 MET 25 HB3 MET 25 5.313 10.907 -3.383 211 HG2 MET 25 HG2 MET 25 8.128 9.935 -3.785 212 HG3 MET 25 HG3 MET 25 6.714 8.937 -4.033 213 HE1 MET 25 HE1 MET 25 5.225 8.960 -6.221 214 HE2 MET 25 HE2 MET 25 4.598 10.503 -5.600 215 HE3 MET 25 HE3 MET 25 5.116 10.372 -7.292 216 HA PRO 26 HA PRO 26 4.324 15.334 -1.791 217 HB2 PRO 26 HB2 PRO 26 2.048 15.119 -3.333 218 HB3 PRO 26 HB3 PRO 26 3.520 16.012 -3.833 219 HG2 PRO 26 HG2 PRO 26 2.696 13.189 -4.561 220 HG3 PRO 26 HG3 PRO 26 3.307 14.479 -5.644 221 HD2 PRO 26 HD2 PRO 26 4.910 12.525 -4.696 222 HD3 PRO 26 HD3 PRO 26 5.535 14.175 -4.877 223 H GLU 27 H GLU 27 2.217 15.397 -0.672 224 HA GLU 27 HA GLU 27 1.838 13.112 1.013 225 HB2 GLU 27 HB2 GLU 27 1.580 15.457 1.706 226 HB3 GLU 27 HB3 GLU 27 0.150 15.626 0.684 227 HG2 GLU 27 HG2 GLU 27 -1.135 14.152 2.078 228 HG3 GLU 27 HG3 GLU 27 0.314 13.551 2.892 229 H GLY 28 H GLY 28 0.327 11.625 1.233 230 HA2 GLY 28 HA2 GLY 28 -1.369 10.184 0.708 231 HA3 GLY 28 HA3 GLY 28 -1.941 11.284 -0.541 232 H THR 29 H THR 29 1.419 10.454 -0.807 233 HA THR 29 HA THR 29 0.930 8.731 -3.122 234 HB THR 29 HB THR 29 3.637 9.303 -1.858 235 HG1 THR 29 HG1 THR 29 2.994 11.196 -2.600 236 HG21 THR 29 HG21 THR 29 3.557 7.294 -3.318 237 HG22 THR 29 HG22 THR 29 2.796 8.265 -4.602 238 HG23 THR 29 HG23 THR 29 4.449 8.618 -4.054 239 H PHE 30 H PHE 30 0.801 6.493 -3.037 240 HA PHE 30 HA PHE 30 1.705 5.189 -0.520 241 HB2 PHE 30 HB2 PHE 30 -0.343 4.008 -0.328 242 HB3 PHE 30 HB3 PHE 30 -0.703 5.717 -0.465 243 HD1 PHE 30 HD1 PHE 30 -1.833 6.608 -2.495 244 HD2 PHE 30 HD2 PHE 30 -0.891 2.427 -2.119 245 HE1 PHE 30 HE1 PHE 30 -3.296 6.103 -4.441 246 HE2 PHE 30 HE2 PHE 30 -2.386 1.915 -4.037 247 HZ PHE 30 HZ PHE 30 -3.546 3.752 -5.231 248 H LEU 31 H LEU 31 1.875 2.940 -0.503 249 HA LEU 31 HA LEU 31 2.123 1.494 -3.045 250 HB2 LEU 31 HB2 LEU 31 4.412 0.814 -2.739 251 HB3 LEU 31 HB3 LEU 31 4.308 2.555 -2.785 252 HG LEU 31 HG LEU 31 4.409 2.439 -0.173 253 HD11 LEU 31 HD11 LEU 31 4.190 0.003 0.213 254 HD12 LEU 31 HD12 LEU 31 5.540 -0.313 -0.896 255 HD13 LEU 31 HD13 LEU 31 5.804 0.520 0.651 256 HD21 LEU 31 HD21 LEU 31 6.794 1.642 -1.887 257 HD22 LEU 31 HD22 LEU 31 6.182 3.284 -1.621 258 HD23 LEU 31 HD23 LEU 31 6.859 2.390 -0.270 259 H VAL 32 H VAL 32 2.288 -0.799 -2.762 260 HA VAL 32 HA VAL 32 1.698 -1.827 -0.031 261 HB VAL 32 HB VAL 32 0.450 -2.916 -2.566 262 HG11 VAL 32 HG11 VAL 32 0.777 -4.702 -0.943 263 HG12 VAL 32 HG12 VAL 32 0.148 -3.677 0.369 264 HG13 VAL 32 HG13 VAL 32 -0.924 -4.238 -0.926 265 HG21 VAL 32 HG21 VAL 32 -0.764 -1.326 -0.258 266 HG22 VAL 32 HG22 VAL 32 -0.603 -0.767 -1.941 267 HG23 VAL 32 HG23 VAL 32 -1.686 -2.108 -1.564 268 H ARG 33 H ARG 33 2.788 -3.563 0.590 269 HA ARG 33 HA ARG 33 4.709 -4.919 -1.236 270 HB2 ARG 33 HB2 ARG 33 6.538 -4.344 0.432 271 HB3 ARG 33 HB3 ARG 33 5.948 -2.995 -0.535 272 HG2 ARG 33 HG2 ARG 33 4.641 -2.115 1.306 273 HG3 ARG 33 HG3 ARG 33 4.935 -3.560 2.283 274 HD2 ARG 33 HD2 ARG 33 7.149 -1.723 1.317 275 HD3 ARG 33 HD3 ARG 33 6.311 -1.474 2.854 276 HE ARG 33 HE ARG 33 8.138 -3.693 2.119 277 HH11 ARG 33 HH11 ARG 33 6.071 -2.507 4.668 278 HH12 ARG 33 HH12 ARG 33 6.758 -3.619 5.826 279 HH21 ARG 33 HH21 ARG 33 8.969 -4.954 3.520 280 HH22 ARG 33 HH22 ARG 33 8.399 -5.032 5.168 281 H ASP 34 H ASP 34 5.920 -6.638 -0.118 282 HA ASP 34 HA ASP 34 4.259 -8.491 1.328 283 HB2 ASP 34 HB2 ASP 34 6.104 -9.119 -0.190 284 HB3 ASP 34 HB3 ASP 34 7.265 -8.359 0.901 285 H SER 35 H SER 35 4.126 -9.012 3.503 286 HA SER 35 HA SER 35 4.840 -6.915 5.372 287 HB2 SER 35 HB2 SER 35 2.718 -8.178 5.457 288 HB3 SER 35 HB3 SER 35 3.619 -9.642 5.894 289 HG SER 35 HG SER 35 4.280 -8.554 7.818 290 H THR 36 H THR 36 6.093 -6.952 7.196 291 HA THR 36 HA THR 36 8.446 -8.698 7.285 292 HB THR 36 HB THR 36 8.840 -7.462 9.481 293 HG1 THR 36 HG1 THR 36 6.773 -6.763 9.915 294 HG21 THR 36 HG21 THR 36 9.860 -6.760 7.305 295 HG22 THR 36 HG22 THR 36 8.466 -5.685 7.040 296 HG23 THR 36 HG23 THR 36 9.564 -5.415 8.415 297 H SER 37 H SER 37 8.903 -10.184 8.891 298 HA SER 37 HA SER 37 8.656 -11.907 10.273 299 HB2 SER 37 HB2 SER 37 6.614 -10.161 11.661 300 HB3 SER 37 HB3 SER 37 7.467 -11.547 12.362 301 HG SER 37 HG SER 37 8.492 -9.563 12.886 302 H SER 38 H SER 38 5.650 -11.171 8.681 303 HA SER 38 HA SER 38 4.635 -13.943 9.245 304 HB2 SER 38 HB2 SER 38 3.067 -11.360 9.064 305 HB3 SER 38 HB3 SER 38 2.378 -12.990 9.202 306 HG SER 38 HG SER 38 2.533 -12.017 11.249 307 HA PRO 39 HA PRO 39 4.900 -13.862 4.676 308 HB2 PRO 39 HB2 PRO 39 4.282 -16.768 5.218 309 HB3 PRO 39 HB3 PRO 39 5.422 -16.057 4.029 310 HG2 PRO 39 HG2 PRO 39 6.362 -17.088 6.345 311 HG3 PRO 39 HG3 PRO 39 6.992 -15.512 5.761 312 HD2 PRO 39 HD2 PRO 39 4.853 -16.019 7.853 313 HD3 PRO 39 HD3 PRO 39 6.257 -14.909 7.918 314 H GLY 40 H GLY 40 3.330 -13.995 3.053 315 HA2 GLY 40 HA2 GLY 40 1.251 -14.248 2.055 316 HA3 GLY 40 HA3 GLY 40 0.632 -15.021 3.513 317 H ASP 41 H ASP 41 1.708 -12.409 4.976 318 HA ASP 41 HA ASP 41 -0.706 -10.728 4.546 319 HB2 ASP 41 HB2 ASP 41 1.619 -10.491 6.481 320 HB3 ASP 41 HB3 ASP 41 0.290 -9.345 6.367 321 H TYR 42 H TYR 42 -0.500 -8.445 4.179 322 HA TYR 42 HA TYR 42 1.990 -7.543 2.797 323 HB2 TYR 42 HB2 TYR 42 -0.881 -6.932 2.019 324 HB3 TYR 42 HB3 TYR 42 0.557 -6.257 1.263 325 HD1 TYR 42 HD2 TYR 42 2.216 -7.861 0.185 326 HD2 TYR 42 HD1 TYR 42 -1.736 -9.052 1.400 327 HE1 TYR 42 HE2 TYR 42 2.358 -9.856 -1.325 328 HE2 TYR 42 HE1 TYR 42 -1.596 -11.060 -0.084 329 HH TYR 42 HH TYR 42 1.297 -11.729 -2.099 330 H VAL 43 H VAL 43 2.111 -5.153 2.661 331 HA VAL 43 HA VAL 43 0.923 -3.709 4.987 332 HB VAL 43 HB VAL 43 3.879 -3.721 4.225 333 HG11 VAL 43 HG11 VAL 43 3.228 -1.434 4.871 334 HG12 VAL 43 HG12 VAL 43 2.376 -2.056 6.302 335 HG13 VAL 43 HG13 VAL 43 4.141 -2.186 6.183 336 HG21 VAL 43 HG21 VAL 43 2.441 -4.534 6.791 337 HG22 VAL 43 HG22 VAL 43 3.112 -5.653 5.597 338 HG23 VAL 43 HG23 VAL 43 4.196 -4.586 6.499 339 H LEU 44 H LEU 44 0.108 -1.832 4.477 340 HA LEU 44 HA LEU 44 0.549 -0.563 1.816 341 HB2 LEU 44 HB2 LEU 44 -1.780 -0.911 2.440 342 HB3 LEU 44 HB3 LEU 44 -1.514 -0.224 4.022 343 HG LEU 44 HG LEU 44 -1.224 2.012 3.046 344 HD11 LEU 44 HD11 LEU 44 -0.304 1.636 0.871 345 HD12 LEU 44 HD12 LEU 44 -1.704 0.660 0.380 346 HD13 LEU 44 HD13 LEU 44 -1.875 2.402 0.661 347 HD21 LEU 44 HD21 LEU 44 -3.700 0.569 1.987 348 HD22 LEU 44 HD22 LEU 44 -3.485 1.122 3.660 349 HD23 LEU 44 HD23 LEU 44 -3.562 2.302 2.340 350 H SER 45 H SER 45 1.865 1.202 1.751 351 HA SER 45 HA SER 45 2.436 2.645 4.305 352 HB2 SER 45 HB2 SER 45 4.417 2.372 2.035 353 HB3 SER 45 HB3 SER 45 4.677 3.115 3.620 354 HG SER 45 HG SER 45 4.106 0.370 3.089 355 H CYS 46 H CYS 46 2.245 4.916 4.223 356 HA CYS 46 HA CYS 46 1.973 6.150 1.588 357 HB2 CYS 46 HB2 CYS 46 -0.157 7.087 1.812 358 HB3 CYS 46 HB3 CYS 46 -0.325 5.365 2.147 359 HG CYS 46 HG CYS 46 -1.959 6.753 3.646 360 H SER 47 H SER 47 2.356 8.360 1.425 361 HA SER 47 HA SER 47 3.929 9.523 3.588 362 HB2 SER 47 HB2 SER 47 4.111 11.402 1.924 363 HB3 SER 47 HB3 SER 47 4.806 9.867 1.425 364 HG SER 47 HG SER 47 3.394 11.109 -0.109 365 H GLU 48 H GLU 48 2.770 10.223 5.245 366 HA GLU 48 HA GLU 48 0.629 12.244 4.758 367 HB2 GLU 48 HB2 GLU 48 0.256 9.604 6.195 368 HB3 GLU 48 HB3 GLU 48 -0.646 11.013 6.708 369 HG2 GLU 48 HG2 GLU 48 -0.729 9.741 3.951 370 HG3 GLU 48 HG3 GLU 48 -1.996 9.726 5.170 371 H ASN 49 H ASN 49 0.173 13.708 6.279 372 HA ASN 49 HA ASN 49 0.646 15.239 7.828 373 HB2 ASN 49 HB2 ASN 49 -0.433 13.360 9.118 374 HB3 ASN 49 HB3 ASN 49 1.173 12.875 9.658 375 HD21 ASN 49 HD22 ASN 49 0.045 13.254 11.794 376 HD22 ASN 49 HD21 ASN 49 0.088 14.892 12.434 377 H GLY 50 H GLY 50 2.765 14.900 6.135 378 HA2 GLY 50 HA2 GLY 50 4.915 15.677 5.864 379 HA3 GLY 50 HA3 GLY 50 4.923 16.140 7.567 380 H LYS 51 H LYS 51 4.263 12.812 7.196 381 HA LYS 51 HA LYS 51 7.105 11.919 7.352 382 HB2 LYS 51 HB2 LYS 51 6.568 10.501 9.288 383 HB3 LYS 51 HB3 LYS 51 6.338 12.204 9.657 384 HG2 LYS 51 HG2 LYS 51 3.913 11.988 9.437 385 HG3 LYS 51 HG3 LYS 51 4.074 10.291 8.933 386 HD2 LYS 51 HD2 LYS 51 4.979 9.712 11.149 387 HD3 LYS 51 HD3 LYS 51 4.896 11.421 11.642 388 HE2 LYS 51 HE2 LYS 51 2.438 11.410 11.239 389 HE3 LYS 51 HE3 LYS 51 2.518 9.709 10.775 390 HZ1 LYS 51 HZ1 LYS 51 3.302 9.209 13.042 391 HZ2 LYS 51 HZ2 LYS 51 3.199 10.785 13.465 392 HZ3 LYS 51 HZ3 LYS 51 1.844 9.948 13.089 393 H VAL 52 H VAL 52 6.819 9.294 7.630 394 HA VAL 52 HA VAL 52 4.942 8.347 5.489 395 HB VAL 52 HB VAL 52 7.645 7.136 6.130 396 HG11 VAL 52 HG11 VAL 52 6.092 5.429 5.373 397 HG12 VAL 52 HG12 VAL 52 5.476 6.487 4.086 398 HG13 VAL 52 HG13 VAL 52 7.117 5.830 4.000 399 HG21 VAL 52 HG21 VAL 52 6.727 8.880 3.810 400 HG22 VAL 52 HG22 VAL 52 8.040 9.211 4.956 401 HG23 VAL 52 HG23 VAL 52 8.217 7.906 3.790 402 H THR 53 H THR 53 3.685 6.663 5.942 403 HA THR 53 HA THR 53 3.722 5.534 8.716 404 HB THR 53 HB THR 53 1.288 5.750 8.768 405 HG1 THR 53 HG1 THR 53 1.660 7.143 6.318 406 HG21 THR 53 HG21 THR 53 2.645 7.580 9.732 407 HG22 THR 53 HG22 THR 53 2.606 8.436 8.171 408 HG23 THR 53 HG23 THR 53 1.107 8.164 9.065 409 H HIS 54 H HIS 54 2.554 3.513 8.970 410 HA HIS 54 HA HIS 54 2.360 1.858 6.494 411 HB2 HIS 54 HB2 HIS 54 3.758 0.992 9.039 412 HB3 HIS 54 HB3 HIS 54 3.605 0.084 7.541 413 HD1 HIS 54 HD1 HIS 54 5.148 1.146 5.398 414 HD2 HIS 54 HD2 HIS 54 5.876 2.481 9.328 415 HE1 HIS 54 HE1 HIS 54 7.535 2.035 5.427 416 H TYR 55 H TYR 55 0.865 0.250 6.525 417 HA TYR 55 HA TYR 55 -0.796 -0.258 8.953 418 HB2 TYR 55 HB2 TYR 55 -1.916 0.316 6.186 419 HB3 TYR 55 HB3 TYR 55 -2.809 0.114 7.685 420 HD1 TYR 55 HD1 TYR 55 -2.759 1.934 9.437 421 HD2 TYR 55 HD2 TYR 55 -0.864 2.403 5.587 422 HE1 TYR 55 HE1 TYR 55 -2.578 4.397 9.814 423 HE2 TYR 55 HE2 TYR 55 -0.660 4.847 5.981 424 HH TYR 55 HH TYR 55 -0.887 6.519 7.499 425 H LYS 56 H LYS 56 -1.403 -2.386 9.179 426 HA LYS 56 HA LYS 56 -0.286 -4.389 7.368 427 HB2 LYS 56 HB2 LYS 56 -1.915 -4.458 9.921 428 HB3 LYS 56 HB3 LYS 56 -1.671 -5.926 8.998 429 HG2 LYS 56 HG2 LYS 56 0.671 -4.188 9.873 430 HG3 LYS 56 HG3 LYS 56 -0.034 -5.399 10.932 431 HD2 LYS 56 HD2 LYS 56 1.213 -5.999 8.215 432 HD3 LYS 56 HD3 LYS 56 1.965 -6.234 9.798 433 HE2 LYS 56 HE2 LYS 56 -0.080 -7.737 10.355 434 HE3 LYS 56 HE3 LYS 56 -0.434 -7.693 8.626 435 HZ1 LYS 56 HZ1 LYS 56 1.923 -8.520 8.316 436 HZ2 LYS 56 HZ2 LYS 56 2.001 -8.774 9.923 437 HZ3 LYS 56 HZ3 LYS 56 0.898 -9.606 9.030 438 H LEU 57 H LEU 57 -1.153 -5.392 5.760 439 HA LEU 57 HA LEU 57 -4.120 -5.477 5.322 440 HB2 LEU 57 HB2 LEU 57 -1.746 -5.554 3.428 441 HB3 LEU 57 HB3 LEU 57 -3.342 -6.101 2.933 442 HG LEU 57 HG LEU 57 -2.988 -3.337 4.085 443 HD11 LEU 57 HD11 LEU 57 -1.331 -3.316 2.387 444 HD12 LEU 57 HD12 LEU 57 -2.275 -4.333 1.309 445 HD13 LEU 57 HD13 LEU 57 -2.772 -2.657 1.575 446 HD21 LEU 57 HD21 LEU 57 -4.838 -4.433 1.929 447 HD22 LEU 57 HD22 LEU 57 -5.288 -4.266 3.638 448 HD23 LEU 57 HD23 LEU 57 -4.915 -2.824 2.678 449 H SER 58 H SER 58 -4.149 -7.112 6.916 450 HA SER 58 HA SER 58 -2.445 -9.476 6.788 451 HB2 SER 58 HB2 SER 58 -4.829 -8.774 8.532 452 HB3 SER 58 HB3 SER 58 -3.832 -10.225 8.729 453 HG SER 58 HG SER 58 -3.141 -8.483 10.074 454 H ALA 59 H ALA 59 -2.979 -11.577 6.208 455 HA ALA 59 HA ALA 59 -5.325 -11.907 4.455 456 HB1 ALA 59 HB1 ALA 59 -3.177 -12.785 3.734 457 HB2 ALA 59 HB2 ALA 59 -3.068 -13.802 5.192 458 HB3 ALA 59 HB3 ALA 59 -4.334 -14.107 3.981 459 H GLU 60 H GLU 60 -7.214 -12.729 5.042 460 HA GLU 60 HA GLU 60 -7.493 -14.512 7.425 461 HB2 GLU 60 HB2 GLU 60 -7.924 -12.127 8.054 462 HB3 GLU 60 HB3 GLU 60 -9.210 -12.058 6.844 463 HG2 GLU 60 HG2 GLU 60 -10.355 -13.963 8.041 464 HG3 GLU 60 HG3 GLU 60 -9.092 -13.901 9.276 465 H GLU 61 H GLU 61 -8.267 -16.361 6.573 466 HA GLU 61 HA GLU 61 -9.272 -17.857 5.193 467 HB2 GLU 61 HB2 GLU 61 -11.614 -15.947 5.397 468 HB3 GLU 61 HB3 GLU 61 -11.674 -17.642 4.899 469 HG2 GLU 61 HG2 GLU 61 -10.701 -18.285 7.135 470 HG3 GLU 61 HG3 GLU 61 -10.872 -16.606 7.647 471 H GLY 62 H GLY 62 -7.677 -15.976 3.819 472 HA2 GLY 62 HA2 GLY 62 -6.975 -15.788 1.595 473 HA3 GLY 62 HA3 GLY 62 -8.518 -16.436 1.037 474 H LYS 63 H LYS 63 -9.251 -13.959 3.153 475 HA LYS 63 HA LYS 63 -9.403 -11.835 1.042 476 HB2 LYS 63 HB2 LYS 63 -11.194 -12.356 3.457 477 HB3 LYS 63 HB3 LYS 63 -11.327 -10.981 2.367 478 HG2 LYS 63 HG2 LYS 63 -11.549 -12.661 0.446 479 HG3 LYS 63 HG3 LYS 63 -11.748 -13.911 1.687 480 HD2 LYS 63 HD2 LYS 63 -13.677 -12.552 2.619 481 HD3 LYS 63 HD3 LYS 63 -13.538 -11.483 1.223 482 HE2 LYS 63 HE2 LYS 63 -14.214 -14.454 1.228 483 HE3 LYS 63 HE3 LYS 63 -15.305 -13.120 0.857 484 HZ1 LYS 63 HZ1 LYS 63 -13.899 -12.655 -1.145 485 HZ2 LYS 63 HZ2 LYS 63 -12.976 -13.953 -0.790 486 HZ3 LYS 63 HZ3 LYS 63 -14.544 -14.151 -1.174 487 H ILE 64 H ILE 64 -9.593 -9.575 2.212 488 HA ILE 64 HA ILE 64 -6.978 -9.302 3.645 489 HB ILE 64 HB ILE 64 -8.495 -7.481 1.756 490 HG12 ILE 64 HG12 ILE 64 -7.325 -9.277 0.589 491 HG13 ILE 64 HG13 ILE 64 -6.602 -7.722 0.264 492 HG21 ILE 64 HG21 ILE 64 -7.478 -6.015 3.381 493 HG22 ILE 64 HG22 ILE 64 -5.930 -6.881 3.284 494 HG23 ILE 64 HG23 ILE 64 -6.548 -5.952 1.893 495 HD11 ILE 64 HD11 ILE 64 -4.742 -8.240 1.856 496 HD12 ILE 64 HD12 ILE 64 -5.462 -9.846 2.134 497 HD13 ILE 64 HD13 ILE 64 -4.866 -9.403 0.528 498 H ARG 65 H ARG 65 -7.020 -8.762 5.694 499 HA ARG 65 HA ARG 65 -9.213 -7.046 6.798 500 HB2 ARG 65 HB2 ARG 65 -8.970 -9.284 7.852 501 HB3 ARG 65 HB3 ARG 65 -7.282 -8.939 8.186 502 HG2 ARG 65 HG2 ARG 65 -8.392 -8.599 10.229 503 HG3 ARG 65 HG3 ARG 65 -8.036 -6.990 9.632 504 HD2 ARG 65 HD2 ARG 65 -10.229 -6.875 10.501 505 HD3 ARG 65 HD3 ARG 65 -10.453 -6.919 8.747 506 HE ARG 65 HE ARG 65 -10.521 -9.596 9.696 507 HH11 ARG 65 HH11 ARG 65 -12.582 -6.748 10.237 508 HH12 ARG 65 HH12 ARG 65 -13.969 -7.758 10.487 509 HH21 ARG 65 HH21 ARG 65 -12.355 -10.734 9.899 510 HH22 ARG 65 HH22 ARG 65 -13.851 -9.937 10.337 511 H ILE 66 H ILE 66 -8.715 -5.005 7.300 512 HA ILE 66 HA ILE 66 -5.963 -4.286 8.115 513 HB ILE 66 HB ILE 66 -5.817 -3.799 5.840 514 HG12 ILE 66 HG12 ILE 66 -6.490 -1.106 7.050 515 HG13 ILE 66 HG13 ILE 66 -5.091 -2.024 7.581 516 HG21 ILE 66 HG21 ILE 66 -8.218 -3.800 5.212 517 HG22 ILE 66 HG22 ILE 66 -8.398 -2.200 5.961 518 HG23 ILE 66 HG23 ILE 66 -7.357 -2.430 4.536 519 HD11 ILE 66 HD11 ILE 66 -4.097 -1.940 5.376 520 HD12 ILE 66 HD12 ILE 66 -5.524 -1.128 4.700 521 HD13 ILE 66 HD13 ILE 66 -4.519 -0.303 5.899 522 H ASP 67 H ASP 67 -5.897 -3.106 9.831 523 HA ASP 67 HA ASP 67 -6.551 -2.291 11.804 524 HB2 ASP 67 HB2 ASP 67 -6.774 -0.215 10.537 525 HB3 ASP 67 HB3 ASP 67 -8.475 -0.563 10.226 526 H THR 68 H THR 68 -9.910 -1.913 10.789 527 HA THR 68 HA THR 68 -10.658 -4.503 12.101 528 HB THR 68 HB THR 68 -12.794 -3.471 12.767 529 HG1 THR 68 HG1 THR 68 -12.946 -1.210 12.705 530 HG21 THR 68 HG21 THR 68 -10.902 -3.548 14.386 531 HG22 THR 68 HG22 THR 68 -10.418 -1.916 13.877 532 HG23 THR 68 HG23 THR 68 -11.992 -2.178 14.660 533 H HIS 69 H HIS 69 -10.657 -2.788 9.162 534 HA HIS 69 HA HIS 69 -13.293 -3.597 8.204 535 HB2 HIS 69 HB2 HIS 69 -10.962 -2.216 6.819 536 HB3 HIS 69 HB3 HIS 69 -12.575 -2.444 6.153 537 HD1 HIS 69 HD1 HIS 69 -14.391 -0.637 6.828 538 HD2 HIS 69 HD2 HIS 69 -10.720 -0.393 8.871 539 HE1 HIS 69 HE1 HIS 69 -14.422 1.577 8.093 540 H LEU 70 H LEU 70 -13.701 -5.224 6.879 541 HA LEU 70 HA LEU 70 -11.482 -6.919 5.829 542 HB2 LEU 70 HB2 LEU 70 -13.148 -7.991 7.435 543 HB3 LEU 70 HB3 LEU 70 -14.370 -7.752 6.190 544 HG LEU 70 HG LEU 70 -12.817 -9.122 4.625 545 HD11 LEU 70 HD11 LEU 70 -10.772 -8.987 6.117 546 HD12 LEU 70 HD12 LEU 70 -11.616 -10.000 7.290 547 HD13 LEU 70 HD13 LEU 70 -11.230 -10.637 5.680 548 HD21 LEU 70 HD21 LEU 70 -14.014 -10.477 7.076 549 HD22 LEU 70 HD22 LEU 70 -14.885 -10.034 5.590 550 HD23 LEU 70 HD23 LEU 70 -13.614 -11.267 5.534 551 H PHE 71 H PHE 71 -11.215 -7.129 3.720 552 HA PHE 71 HA PHE 71 -13.287 -6.233 1.767 553 HB2 PHE 71 HB2 PHE 71 -10.293 -5.701 1.621 554 HB3 PHE 71 HB3 PHE 71 -11.487 -5.295 0.399 555 HD1 PHE 71 HD1 PHE 71 -13.391 -3.643 1.075 556 HD2 PHE 71 HD2 PHE 71 -9.784 -4.189 3.376 557 HE1 PHE 71 HE1 PHE 71 -13.813 -1.499 2.253 558 HE2 PHE 71 HE2 PHE 71 -10.184 -2.011 4.508 559 HZ PHE 71 HZ PHE 71 -12.215 -0.695 3.985 560 H ASP 72 H ASP 72 -13.189 -7.278 -0.282 561 HA ASP 72 HA ASP 72 -12.512 -10.036 -0.162 562 HB2 ASP 72 HB2 ASP 72 -14.323 -9.138 -1.539 563 HB3 ASP 72 HB3 ASP 72 -13.169 -8.220 -2.511 564 H ASN 73 H ASN 73 -10.717 -7.292 -1.452 565 HA ASN 73 HA ASN 73 -8.270 -8.857 -1.830 566 HB2 ASN 73 HB2 ASN 73 -8.101 -8.256 -4.247 567 HB3 ASN 73 HB3 ASN 73 -9.444 -9.342 -3.918 568 HD21 ASN 73 HD22 ASN 73 -11.552 -8.674 -4.503 569 HD22 ASN 73 HD21 ASN 73 -11.846 -7.069 -5.175 570 H LEU 74 H LEU 74 -6.517 -7.406 -2.789 571 HA LEU 74 HA LEU 74 -6.126 -5.183 -1.058 572 HB2 LEU 74 HB2 LEU 74 -4.708 -6.068 -3.600 573 HB3 LEU 74 HB3 LEU 74 -4.152 -4.748 -2.575 574 HG LEU 74 HG LEU 74 -4.395 -7.661 -1.735 575 HD11 LEU 74 HD11 LEU 74 -2.521 -7.200 -3.268 576 HD12 LEU 74 HD12 LEU 74 -1.979 -5.878 -2.208 577 HD13 LEU 74 HD13 LEU 74 -1.937 -7.555 -1.629 578 HD21 LEU 74 HD21 LEU 74 -3.462 -5.181 -0.253 579 HD22 LEU 74 HD22 LEU 74 -4.762 -6.277 0.236 580 HD23 LEU 74 HD23 LEU 74 -3.091 -6.836 0.295 581 H ASP 75 H ASP 75 -7.112 -5.212 -4.518 582 HA ASP 75 HA ASP 75 -6.890 -2.382 -4.896 583 HB2 ASP 75 HB2 ASP 75 -6.951 -4.053 -6.714 584 HB3 ASP 75 HB3 ASP 75 -8.629 -4.423 -6.332 585 H ALA 76 H ALA 76 -9.626 -4.396 -3.768 586 HA ALA 76 HA ALA 76 -11.541 -2.278 -3.549 587 HB1 ALA 76 HB1 ALA 76 -12.144 -4.659 -3.534 588 HB2 ALA 76 HB2 ALA 76 -11.278 -4.890 -1.999 589 HB3 ALA 76 HB3 ALA 76 -12.722 -3.858 -2.058 590 H ALA 77 H ALA 77 -9.066 -3.455 -1.218 591 HA ALA 77 HA ALA 77 -9.881 -1.735 0.940 592 HB1 ALA 77 HB1 ALA 77 -8.485 -3.792 1.176 593 HB2 ALA 77 HB2 ALA 77 -7.146 -2.961 0.360 594 HB3 ALA 77 HB3 ALA 77 -7.738 -2.364 1.923 595 H ILE 78 H ILE 78 -7.375 -1.329 -1.617 596 HA ILE 78 HA ILE 78 -6.512 1.302 -0.899 597 HB ILE 78 HB ILE 78 -6.666 -0.136 -3.577 598 HG12 ILE 78 HG12 ILE 78 -5.149 -1.243 -2.037 599 HG13 ILE 78 HG13 ILE 78 -4.259 -0.487 -3.336 600 HG21 ILE 78 HG21 ILE 78 -6.581 2.215 -4.124 601 HG22 ILE 78 HG22 ILE 78 -5.252 2.485 -2.979 602 HG23 ILE 78 HG23 ILE 78 -5.001 1.497 -4.429 603 HD11 ILE 78 HD11 ILE 78 -3.599 1.353 -1.782 604 HD12 ILE 78 HD12 ILE 78 -4.498 0.544 -0.475 605 HD13 ILE 78 HD13 ILE 78 -3.110 -0.249 -1.221 606 H THR 79 H THR 79 -9.051 0.308 -3.161 607 HA THR 79 HA THR 79 -10.004 2.883 -3.872 608 HB THR 79 HB THR 79 -11.607 0.298 -3.737 609 HG1 THR 79 HG1 THR 79 -9.922 0.011 -5.082 610 HG21 THR 79 HG21 THR 79 -13.130 2.194 -4.035 611 HG22 THR 79 HG22 THR 79 -12.081 2.879 -5.297 612 HG23 THR 79 HG23 THR 79 -12.940 1.346 -5.573 613 H PHE 80 H PHE 80 -11.126 0.782 -1.138 614 HA PHE 80 HA PHE 80 -13.138 2.560 -0.193 615 HB2 PHE 80 HB2 PHE 80 -12.866 0.256 0.596 616 HB3 PHE 80 HB3 PHE 80 -11.332 0.665 1.354 617 HD1 PHE 80 HD2 PHE 80 -15.014 1.055 1.548 618 HD2 PHE 80 HD1 PHE 80 -11.247 1.983 3.433 619 HE1 PHE 80 HE2 PHE 80 -16.213 1.763 3.606 620 HE2 PHE 80 HE1 PHE 80 -12.450 2.694 5.486 621 HZ PHE 80 HZ PHE 80 -14.936 2.590 5.572 622 H TYR 81 H TYR 81 -9.617 2.466 0.588 623 HA TYR 81 HA TYR 81 -9.840 4.896 2.169 624 HB2 TYR 81 HB2 TYR 81 -7.428 3.296 1.322 625 HB3 TYR 81 HB3 TYR 81 -7.382 4.701 2.388 626 HD1 TYR 81 HD2 TYR 81 -9.407 4.544 4.309 627 HD2 TYR 81 HD1 TYR 81 -7.193 1.288 2.538 628 HE1 TYR 81 HE2 TYR 81 -9.848 3.157 6.318 629 HE2 TYR 81 HE1 TYR 81 -7.647 -0.099 4.556 630 HH TYR 81 HH TYR 81 -9.517 1.148 7.340 631 H MET 82 H MET 82 -10.115 4.694 -1.060 632 HA MET 82 HA MET 82 -8.878 7.385 -1.529 633 HB2 MET 82 HB2 MET 82 -10.183 5.384 -3.415 634 HB3 MET 82 HB3 MET 82 -9.787 7.040 -3.863 635 HG2 MET 82 HG2 MET 82 -7.440 6.683 -3.442 636 HG3 MET 82 HG3 MET 82 -7.739 5.051 -2.841 637 HE1 MET 82 HE1 MET 82 -5.695 6.125 -5.249 638 HE2 MET 82 HE2 MET 82 -5.704 4.529 -4.470 639 HE3 MET 82 HE3 MET 82 -5.775 4.653 -6.244 640 H GLU 83 H GLU 83 -12.004 5.650 -1.399 641 HA GLU 83 HA GLU 83 -13.647 8.029 -1.741 642 HB2 GLU 83 HB2 GLU 83 -14.230 5.225 -0.703 643 HB3 GLU 83 HB3 GLU 83 -15.464 6.458 -0.951 644 HG2 GLU 83 HG2 GLU 83 -13.666 5.348 -3.155 645 HG3 GLU 83 HG3 GLU 83 -15.297 4.798 -2.804 646 H HIS 84 H HIS 84 -12.231 6.405 1.046 647 HA HIS 84 HA HIS 84 -13.349 8.474 2.892 648 HB2 HIS 84 HB2 HIS 84 -12.855 5.532 3.497 649 HB3 HIS 84 HB3 HIS 84 -13.512 6.735 4.602 650 HD1 HIS 84 HD1 HIS 84 -16.069 7.687 3.874 651 HD2 HIS 84 HD2 HIS 84 -14.555 4.275 1.934 652 HE1 HIS 84 HE1 HIS 84 -18.059 6.574 2.731 653 H GLU 85 H GLU 85 -12.011 8.844 4.841 654 HA GLU 85 HA GLU 85 -9.155 8.963 4.216 655 HB2 GLU 85 HB2 GLU 85 -10.699 9.713 6.722 656 HB3 GLU 85 HB3 GLU 85 -8.969 9.995 6.468 657 HG2 GLU 85 HG2 GLU 85 -9.442 11.434 4.534 658 HG3 GLU 85 HG3 GLU 85 -11.175 11.146 4.698 659 H LEU 86 H LEU 86 -7.462 7.872 5.187 660 HA LEU 86 HA LEU 86 -8.071 5.199 6.248 661 HB2 LEU 86 HB2 LEU 86 -6.350 5.850 4.443 662 HB3 LEU 86 HB3 LEU 86 -5.331 6.433 5.749 663 HG LEU 86 HG LEU 86 -6.370 3.597 5.393 664 HD11 LEU 86 HD11 LEU 86 -4.674 4.248 3.743 665 HD12 LEU 86 HD12 LEU 86 -3.592 4.797 5.045 666 HD13 LEU 86 HD13 LEU 86 -4.004 3.079 4.893 667 HD21 LEU 86 HD21 LEU 86 -4.515 4.733 7.504 668 HD22 LEU 86 HD22 LEU 86 -6.056 3.874 7.754 669 HD23 LEU 86 HD23 LEU 86 -4.666 3.000 7.137 670 H GLU 87 H GLU 87 -5.909 7.809 7.253 671 HA GLU 87 HA GLU 87 -6.812 7.614 10.079 672 HB2 GLU 87 HB2 GLU 87 -4.889 6.054 9.877 673 HB3 GLU 87 HB3 GLU 87 -3.897 7.355 9.234 674 HG2 GLU 87 HG2 GLU 87 -3.319 7.070 11.528 675 HG3 GLU 87 HG3 GLU 87 -4.175 8.598 11.404 676 H TYR 88 H TYR 88 -4.156 9.250 8.294 677 HA TYR 88 HA TYR 88 -4.890 11.843 9.478 678 HB2 TYR 88 HB2 TYR 88 -2.650 11.077 7.593 679 HB3 TYR 88 HB3 TYR 88 -2.789 12.590 8.474 680 HD1 TYR 88 HD2 TYR 88 -2.510 12.631 10.977 681 HD2 TYR 88 HD1 TYR 88 -1.809 9.055 8.659 682 HE1 TYR 88 HE2 TYR 88 -1.262 11.620 12.892 683 HE2 TYR 88 HE1 TYR 88 -0.624 8.037 10.585 684 HH TYR 88 HH TYR 88 0.071 8.299 12.747 685 H SER 89 H SER 89 -4.958 10.304 6.287 686 HA SER 89 HA SER 89 -6.957 12.161 5.275 687 HB2 SER 89 HB2 SER 89 -4.623 13.248 4.805 688 HB3 SER 89 HB3 SER 89 -4.382 11.869 3.727 689 HG SER 89 HG SER 89 -6.343 13.923 3.553 690 H SER 90 H SER 90 -7.078 11.467 2.692 691 HA SER 90 HA SER 90 -7.436 8.521 2.546 692 HB2 SER 90 HB2 SER 90 -8.547 9.066 0.387 693 HB3 SER 90 HB3 SER 90 -9.294 9.858 1.783 694 HG SER 90 HG SER 90 -8.993 11.299 0.009 695 H LEU 91 H LEU 91 -6.750 7.447 0.547 696 HA LEU 91 HA LEU 91 -3.966 7.893 -0.236 697 HB2 LEU 91 HB2 LEU 91 -6.138 6.112 -1.427 698 HB3 LEU 91 HB3 LEU 91 -4.423 6.019 -1.781 699 HG LEU 91 HG LEU 91 -5.783 5.337 0.853 700 HD11 LEU 91 HD11 LEU 91 -6.035 3.683 -1.009 701 HD12 LEU 91 HD12 LEU 91 -4.270 3.606 -1.144 702 HD13 LEU 91 HD13 LEU 91 -5.081 3.050 0.335 703 HD21 LEU 91 HD21 LEU 91 -2.838 5.235 0.143 704 HD22 LEU 91 HD22 LEU 91 -3.587 6.279 1.371 705 HD23 LEU 91 HD23 LEU 91 -3.562 4.529 1.598 706 H LYS 92 H LYS 92 -3.251 9.079 -1.983 707 HA LYS 92 HA LYS 92 -5.345 10.372 -3.716 708 HB2 LYS 92 HB2 LYS 92 -2.921 11.630 -2.407 709 HB3 LYS 92 HB3 LYS 92 -3.894 12.402 -3.657 710 HG2 LYS 92 HG2 LYS 92 -5.912 12.238 -2.323 711 HG3 LYS 92 HG3 LYS 92 -5.084 11.384 -1.041 712 HD2 LYS 92 HD2 LYS 92 -4.384 14.213 -1.902 713 HD3 LYS 92 HD3 LYS 92 -5.564 13.844 -0.647 714 HE2 LYS 92 HE2 LYS 92 -2.627 13.062 -0.561 715 HE3 LYS 92 HE3 LYS 92 -3.322 14.454 0.255 716 HZ1 LYS 92 HZ1 LYS 92 -4.631 13.013 1.645 717 HZ2 LYS 92 HZ2 LYS 92 -4.217 11.668 0.827 718 HZ3 LYS 92 HZ3 LYS 92 -3.098 12.443 1.721 719 H GLN 93 H GLN 93 -2.011 9.073 -3.794 720 HA GLN 93 HA GLN 93 -2.536 8.439 -6.590 721 HB2 GLN 93 HB2 GLN 93 -0.429 9.381 -7.468 722 HB3 GLN 93 HB3 GLN 93 -1.613 10.592 -7.039 723 HG2 GLN 93 HG2 GLN 93 0.731 9.840 -5.233 724 HG3 GLN 93 HG3 GLN 93 0.831 11.074 -6.472 725 HE21 GLN 93 HE22 GLN 93 1.185 11.403 -3.588 726 HE22 GLN 93 HE21 GLN 93 -0.032 12.575 -3.074 727 HA PRO 94 HA PRO 94 0.065 4.988 -5.355 728 HB2 PRO 94 HB2 PRO 94 0.447 3.702 -7.714 729 HB3 PRO 94 HB3 PRO 94 -1.156 3.770 -6.912 730 HG2 PRO 94 HG2 PRO 94 -0.141 5.544 -9.154 731 HG3 PRO 94 HG3 PRO 94 -1.692 4.648 -9.064 732 HD2 PRO 94 HD2 PRO 94 -1.480 7.289 -8.367 733 HD3 PRO 94 HD3 PRO 94 -2.595 6.176 -7.518 734 H LEU 95 H LEU 95 2.283 4.543 -5.237 735 HA LEU 95 HA LEU 95 4.206 6.408 -6.281 736 HB2 LEU 95 HB2 LEU 95 4.530 5.105 -4.202 737 HB3 LEU 95 HB3 LEU 95 4.547 3.610 -5.135 738 HG LEU 95 HG LEU 95 6.630 4.346 -6.284 739 HD11 LEU 95 HD11 LEU 95 6.418 6.812 -6.121 740 HD12 LEU 95 HD12 LEU 95 6.501 6.704 -4.351 741 HD13 LEU 95 HD13 LEU 95 7.905 6.273 -5.349 742 HD21 LEU 95 HD21 LEU 95 6.924 4.550 -3.279 743 HD22 LEU 95 HD22 LEU 95 6.694 3.020 -4.159 744 HD23 LEU 95 HD23 LEU 95 8.134 4.001 -4.457 745 H GLN 96 H GLN 96 5.693 6.198 -7.979 746 HA GLN 96 HA GLN 96 4.833 4.508 -10.242 747 HB2 GLN 96 HB2 GLN 96 6.890 6.741 -10.052 748 HB3 GLN 96 HB3 GLN 96 6.447 5.873 -11.528 749 HG2 GLN 96 HG2 GLN 96 4.081 6.644 -11.257 750 HG3 GLN 96 HG3 GLN 96 4.568 7.596 -9.850 751 HE21 GLN 96 HE22 GLN 96 6.259 9.354 -10.242 752 HE22 GLN 96 HE21 GLN 96 6.263 10.098 -11.834 753 H ARG 97 H ARG 97 6.146 3.082 -11.348 754 HA ARG 97 HA ARG 97 8.344 1.770 -9.848 755 HB2 ARG 97 HB2 ARG 97 6.883 1.047 -12.419 756 HB3 ARG 97 HB3 ARG 97 8.249 0.142 -11.761 757 HG2 ARG 97 HG2 ARG 97 6.993 -0.308 -9.678 758 HG3 ARG 97 HG3 ARG 97 5.594 0.577 -10.319 759 HD2 ARG 97 HD2 ARG 97 5.422 -0.998 -12.194 760 HD3 ARG 97 HD3 ARG 97 6.851 -1.874 -11.623 761 HE ARG 97 HE ARG 97 5.476 -2.247 -9.474 762 HH11 ARG 97 HH11 ARG 97 3.886 -2.171 -12.625 763 HH12 ARG 97 HH12 ARG 97 2.559 -3.151 -12.018 764 HH21 ARG 97 HH21 ARG 97 3.774 -3.386 -8.850 765 HH22 ARG 97 HH22 ARG 97 2.427 -3.630 -9.929 Start of MODEL 15 1 H1 GLY -6 H1 GLY -6 5.575 -2.948 -36.190 2 H2 GLY -6 H2 GLY -6 3.991 -2.534 -36.135 3 H3 GLY -6 H3 GLY -6 4.681 -2.950 -37.563 4 HA2 GLY -6 HA2 GLY -6 6.109 -1.013 -37.511 5 HA3 GLY -6 HA3 GLY -6 4.391 -0.572 -37.478 6 H SER -5 H SER -5 6.692 0.969 -36.518 7 HA SER -5 HA SER -5 6.989 0.930 -33.707 8 HB2 SER -5 HB2 SER -5 7.211 3.306 -35.591 9 HB3 SER -5 HB3 SER -5 7.897 3.188 -33.958 10 HG SER -5 HG SER -5 9.440 2.682 -35.591 11 H SER -4 H SER -4 6.095 2.092 -32.030 12 HA SER -4 HA SER -4 4.399 2.842 -30.741 13 HB2 SER -4 HB2 SER -4 4.002 4.859 -32.967 14 HB3 SER -4 HB3 SER -4 3.472 5.022 -31.282 15 HG SER -4 HG SER -4 5.479 6.076 -31.670 16 H GLY -3 H GLY -3 3.618 0.634 -32.403 17 HA2 GLY -3 HA2 GLY -3 0.989 0.968 -33.490 18 HA3 GLY -3 HA3 GLY -3 1.800 -0.555 -33.125 19 H SER -2 H SER -2 1.818 0.896 -30.194 20 HA SER -2 HA SER -2 -0.985 0.399 -29.397 21 HB2 SER -2 HB2 SER -2 -0.417 -1.138 -27.645 22 HB3 SER -2 HB3 SER -2 0.242 -1.777 -29.158 23 HG SER -2 HG SER -2 1.792 -1.909 -27.506 24 H SER -1 H SER -1 -1.366 1.020 -27.102 25 HA SER -1 HA SER -1 -0.199 3.612 -26.515 26 HB2 SER -1 HB2 SER -1 -2.232 2.020 -24.920 27 HB3 SER -1 HB3 SER -1 -1.911 3.758 -24.802 28 HG SER -1 HG SER -1 -2.673 4.005 -26.931 29 H GLY 0 H GLY 0 1.481 1.019 -26.055 30 HA2 GLY 0 HA2 GLY 0 3.248 0.529 -24.658 31 HA3 GLY 0 HA3 GLY 0 2.840 1.918 -23.648 32 H MET 1 H MET 1 0.389 -0.513 -24.248 33 HA MET 1 HA MET 1 -0.011 -1.087 -21.467 34 HB2 MET 1 HB2 MET 1 -1.780 -1.092 -23.158 35 HB3 MET 1 HB3 MET 1 -1.063 -2.486 -23.965 36 HG2 MET 1 HG2 MET 1 -1.939 -2.585 -21.059 37 HG3 MET 1 HG3 MET 1 -3.079 -2.815 -22.380 38 HE1 MET 1 HE1 MET 1 -2.474 -4.875 -19.933 39 HE2 MET 1 HE2 MET 1 -3.765 -5.085 -21.140 40 HE3 MET 1 HE3 MET 1 -2.624 -6.408 -20.817 41 H ALA 2 H ALA 2 0.507 -2.820 -20.207 42 HA ALA 2 HA ALA 2 1.964 -5.137 -21.303 43 HB1 ALA 2 HB1 ALA 2 3.738 -3.541 -20.645 44 HB2 ALA 2 HB2 ALA 2 3.030 -3.413 -19.018 45 HB3 ALA 2 HB3 ALA 2 3.721 -4.955 -19.573 46 H GLU 3 H GLU 3 1.894 -6.984 -19.954 47 HA GLU 3 HA GLU 3 -0.514 -7.158 -18.280 48 HB2 GLU 3 HB2 GLU 3 1.389 -9.299 -19.291 49 HB3 GLU 3 HB3 GLU 3 -0.119 -9.592 -18.409 50 HG2 GLU 3 HG2 GLU 3 -1.400 -8.452 -20.204 51 HG3 GLU 3 HG3 GLU 3 0.090 -8.227 -21.124 52 H ALA 4 H ALA 4 1.365 -5.585 -17.032 53 HA ALA 4 HA ALA 4 2.949 -7.079 -15.089 54 HB1 ALA 4 HB1 ALA 4 3.723 -4.977 -16.124 55 HB2 ALA 4 HB2 ALA 4 2.361 -4.104 -15.384 56 HB3 ALA 4 HB3 ALA 4 3.625 -4.823 -14.363 57 H ALA 5 H ALA 5 2.867 -6.418 -12.750 58 HA ALA 5 HA ALA 5 0.309 -6.930 -11.504 59 HB1 ALA 5 HB1 ALA 5 2.492 -7.642 -10.567 60 HB2 ALA 5 HB2 ALA 5 2.950 -5.937 -10.340 61 HB3 ALA 5 HB3 ALA 5 1.594 -6.630 -9.425 62 H ALA 6 H ALA 6 -0.406 -5.414 -9.635 63 HA ALA 6 HA ALA 6 -1.629 -3.145 -10.645 64 HB1 ALA 6 HB1 ALA 6 -2.303 -4.347 -8.607 65 HB2 ALA 6 HB2 ALA 6 -0.862 -3.742 -7.759 66 HB3 ALA 6 HB3 ALA 6 -2.122 -2.616 -8.293 67 HA PRO 7 HA PRO 7 1.385 0.030 -10.947 68 HB2 PRO 7 HB2 PRO 7 -0.035 2.344 -10.535 69 HB3 PRO 7 HB3 PRO 7 -0.186 1.320 -11.993 70 HG2 PRO 7 HG2 PRO 7 -1.949 1.314 -9.528 71 HG3 PRO 7 HG3 PRO 7 -2.453 1.369 -11.246 72 HD2 PRO 7 HD2 PRO 7 -2.423 -0.961 -9.871 73 HD3 PRO 7 HD3 PRO 7 -1.894 -0.909 -11.579 74 H TRP 8 H TRP 8 -0.374 -0.218 -7.932 75 HA TRP 8 HA TRP 8 1.598 1.376 -6.407 76 HB2 TRP 8 HB2 TRP 8 -0.115 0.667 -4.531 77 HB3 TRP 8 HB3 TRP 8 -0.462 1.948 -5.647 78 HD1 TRP 8 HD1 TRP 8 -2.498 1.707 -7.241 79 HE1 TRP 8 HE1 TRP 8 -4.377 -0.018 -7.551 80 HE3 TRP 8 HE3 TRP 8 -0.664 -2.028 -4.280 81 HZ2 TRP 8 HZ2 TRP 8 -5.049 -2.628 -6.558 82 HZ3 TRP 8 HZ3 TRP 8 -1.983 -4.115 -3.916 83 HH2 TRP 8 HH2 TRP 8 -4.155 -4.435 -5.087 84 H TYR 9 H TYR 9 1.551 -1.864 -7.396 85 HA TYR 9 HA TYR 9 2.417 -2.930 -4.766 86 HB2 TYR 9 HB2 TYR 9 0.782 -4.161 -6.108 87 HB3 TYR 9 HB3 TYR 9 1.962 -4.338 -7.403 88 HD1 TYR 9 HD2 TYR 9 1.459 -5.029 -3.736 89 HD2 TYR 9 HD1 TYR 9 3.381 -6.248 -7.403 90 HE1 TYR 9 HE2 TYR 9 2.258 -7.115 -2.627 91 HE2 TYR 9 HE1 TYR 9 4.158 -8.338 -6.298 92 HH TYR 9 HH TYR 9 4.150 -9.600 -4.387 93 H HIS 10 H HIS 10 4.405 -3.272 -4.167 94 HA HIS 10 HA HIS 10 6.666 -3.015 -6.121 95 HB2 HIS 10 HB2 HIS 10 6.310 -2.050 -3.269 96 HB3 HIS 10 HB3 HIS 10 7.900 -2.228 -4.000 97 HD1 HIS 10 HD1 HIS 10 8.765 -0.238 -5.394 98 HD2 HIS 10 HD2 HIS 10 4.606 -0.262 -4.775 99 HE1 HIS 10 HE1 HIS 10 7.885 1.959 -6.342 100 H GLY 11 H GLY 11 5.175 -5.444 -4.370 101 HA2 GLY 11 HA2 GLY 11 5.887 -7.597 -3.832 102 HA3 GLY 11 HA3 GLY 11 7.364 -7.250 -4.724 103 HA PRO 12 HA PRO 12 8.688 -7.793 -0.347 104 HB2 PRO 12 HB2 PRO 12 11.126 -8.856 -1.766 105 HB3 PRO 12 HB3 PRO 12 10.275 -9.497 -0.324 106 HG2 PRO 12 HG2 PRO 12 9.914 -10.650 -2.736 107 HG3 PRO 12 HG3 PRO 12 8.481 -10.330 -1.698 108 HD2 PRO 12 HD2 PRO 12 9.566 -8.610 -3.965 109 HD3 PRO 12 HD3 PRO 12 7.903 -9.224 -3.717 110 H LEU 13 H LEU 13 8.659 -5.231 -1.096 111 HA LEU 13 HA LEU 13 11.294 -3.983 -1.031 112 HB2 LEU 13 HB2 LEU 13 9.052 -3.070 -2.000 113 HB3 LEU 13 HB3 LEU 13 8.609 -2.746 -0.329 114 HG LEU 13 HG LEU 13 10.642 -1.256 -0.146 115 HD11 LEU 13 HD11 LEU 13 12.034 -2.105 -1.972 116 HD12 LEU 13 HD12 LEU 13 10.745 -1.778 -3.153 117 HD13 LEU 13 HD13 LEU 13 11.578 -0.439 -2.348 118 HD21 LEU 13 HD21 LEU 13 8.660 -0.536 -2.341 119 HD22 LEU 13 HD22 LEU 13 8.367 -0.374 -0.598 120 HD23 LEU 13 HD23 LEU 13 9.628 0.596 -1.374 121 H SER 14 H SER 14 12.255 -2.942 0.810 122 HA SER 14 HA SER 14 11.382 -3.894 3.491 123 HB2 SER 14 HB2 SER 14 13.836 -2.338 2.611 124 HB3 SER 14 HB3 SER 14 13.488 -2.861 4.270 125 HG SER 14 HG SER 14 14.856 -4.337 3.121 126 H ARG 15 H ARG 15 11.033 -2.426 5.262 127 HA ARG 15 HA ARG 15 9.399 -0.145 4.805 128 HB2 ARG 15 HB2 ARG 15 11.084 -1.086 7.151 129 HB3 ARG 15 HB3 ARG 15 10.405 0.535 7.158 130 HG2 ARG 15 HG2 ARG 15 8.110 -0.472 6.742 131 HG3 ARG 15 HG3 ARG 15 8.853 -2.070 6.975 132 HD2 ARG 15 HD2 ARG 15 7.882 -1.300 9.090 133 HD3 ARG 15 HD3 ARG 15 9.663 -1.331 9.207 134 HE ARG 15 HE ARG 15 8.848 1.276 8.370 135 HH11 ARG 15 HH11 ARG 15 8.530 -0.576 11.324 136 HH12 ARG 15 HH12 ARG 15 8.781 0.837 12.319 137 HH21 ARG 15 HH21 ARG 15 9.425 2.889 9.609 138 HH22 ARG 15 HH22 ARG 15 9.206 2.818 11.353 139 H THR 16 H THR 16 12.887 -0.136 5.610 140 HA THR 16 HA THR 16 13.329 2.592 5.497 141 HB THR 16 HB THR 16 15.318 0.576 4.394 142 HG1 THR 16 HG1 THR 16 15.891 0.251 6.557 143 HG21 THR 16 HG21 THR 16 16.080 2.914 4.304 144 HG22 THR 16 HG22 THR 16 15.615 3.156 6.004 145 HG23 THR 16 HG23 THR 16 16.949 2.056 5.582 146 H ASP 17 H ASP 17 13.167 0.410 2.668 147 HA ASP 17 HA ASP 17 13.881 2.468 0.725 148 HB2 ASP 17 HB2 ASP 17 12.720 -0.332 0.547 149 HB3 ASP 17 HB3 ASP 17 12.911 0.692 -0.864 150 H ALA 18 H ALA 18 10.786 1.124 1.960 151 HA ALA 18 HA ALA 18 9.068 2.663 0.252 152 HB1 ALA 18 HB1 ALA 18 8.316 0.695 1.548 153 HB2 ALA 18 HB2 ALA 18 8.609 1.561 3.067 154 HB3 ALA 18 HB3 ALA 18 7.350 2.127 1.965 155 H GLU 19 H GLU 19 10.417 3.353 3.503 156 HA GLU 19 HA GLU 19 9.202 5.922 3.826 157 HB2 GLU 19 HB2 GLU 19 11.677 4.692 5.094 158 HB3 GLU 19 HB3 GLU 19 11.004 6.264 5.544 159 HG2 GLU 19 HG2 GLU 19 8.834 5.167 6.102 160 HG3 GLU 19 HG3 GLU 19 9.534 3.603 5.721 161 H ASN 20 H ASN 20 12.497 5.078 2.589 162 HA ASN 20 HA ASN 20 13.141 7.856 2.051 163 HB2 ASN 20 HB2 ASN 20 14.402 5.203 1.275 164 HB3 ASN 20 HB3 ASN 20 14.978 6.722 0.604 165 HD21 ASN 20 HD22 ASN 20 14.671 4.888 3.607 166 HD22 ASN 20 HD21 ASN 20 15.798 5.908 4.511 167 H SER 21 H SER 21 11.075 5.707 0.331 168 HA SER 21 HA SER 21 11.251 7.276 -2.181 169 HB2 SER 21 HB2 SER 21 9.293 5.097 -1.373 170 HB3 SER 21 HB3 SER 21 9.430 5.879 -2.958 171 HG SER 21 HG SER 21 11.323 4.225 -1.631 172 H LEU 22 H LEU 22 8.756 6.685 0.367 173 HA LEU 22 HA LEU 22 6.989 8.691 -0.708 174 HB2 LEU 22 HB2 LEU 22 7.050 6.838 1.626 175 HB3 LEU 22 HB3 LEU 22 6.035 8.250 1.783 176 HG LEU 22 HG LEU 22 4.685 7.678 -0.075 177 HD11 LEU 22 HD11 LEU 22 6.234 6.742 -1.696 178 HD12 LEU 22 HD12 LEU 22 6.598 5.376 -0.612 179 HD13 LEU 22 HD13 LEU 22 4.981 5.537 -1.339 180 HD21 LEU 22 HD21 LEU 22 5.272 5.122 1.480 181 HD22 LEU 22 HD22 LEU 22 4.458 6.539 2.165 182 HD23 LEU 22 HD23 LEU 22 3.718 5.665 0.801 183 H LEU 23 H LEU 23 9.531 8.948 1.775 184 HA LEU 23 HA LEU 23 8.648 11.423 2.883 185 HB2 LEU 23 HB2 LEU 23 10.313 9.890 3.879 186 HB3 LEU 23 HB3 LEU 23 11.448 10.267 2.580 187 HG LEU 23 HG LEU 23 11.592 12.610 3.389 188 HD11 LEU 23 HD11 LEU 23 9.376 12.898 4.432 189 HD12 LEU 23 HD12 LEU 23 9.755 11.641 5.630 190 HD13 LEU 23 HD13 LEU 23 10.644 13.181 5.624 191 HD21 LEU 23 HD21 LEU 23 12.042 10.525 5.561 192 HD22 LEU 23 HD22 LEU 23 13.152 10.897 4.224 193 HD23 LEU 23 HD23 LEU 23 12.816 12.122 5.457 194 H ARG 24 H ARG 24 10.220 10.743 -0.162 195 HA ARG 24 HA ARG 24 10.749 13.618 -0.753 196 HB2 ARG 24 HB2 ARG 24 11.341 11.036 -2.253 197 HB3 ARG 24 HB3 ARG 24 11.636 12.645 -2.921 198 HG2 ARG 24 HG2 ARG 24 13.148 13.202 -1.069 199 HG3 ARG 24 HG3 ARG 24 12.888 11.615 -0.331 200 HD2 ARG 24 HD2 ARG 24 14.016 12.041 -3.129 201 HD3 ARG 24 HD3 ARG 24 15.014 11.846 -1.677 202 HE ARG 24 HE ARG 24 13.501 9.628 -1.482 203 HH11 ARG 24 HH11 ARG 24 15.270 10.779 -4.291 204 HH12 ARG 24 HH12 ARG 24 15.476 9.162 -4.907 205 HH21 ARG 24 HH21 ARG 24 13.799 7.693 -2.270 206 HH22 ARG 24 HH22 ARG 24 14.651 7.420 -3.779 207 H MET 25 H MET 25 8.147 11.453 -1.093 208 HA MET 25 HA MET 25 7.002 12.816 -3.461 209 HB2 MET 25 HB2 MET 25 6.175 10.383 -1.840 210 HB3 MET 25 HB3 MET 25 5.200 11.042 -3.132 211 HG2 MET 25 HG2 MET 25 8.049 10.132 -3.460 212 HG3 MET 25 HG3 MET 25 6.659 9.142 -3.847 213 HE1 MET 25 HE1 MET 25 5.330 9.258 -6.109 214 HE2 MET 25 HE2 MET 25 4.627 10.736 -5.417 215 HE3 MET 25 HE3 MET 25 5.231 10.737 -7.087 216 HA PRO 26 HA PRO 26 4.175 15.310 -1.062 217 HB2 PRO 26 HB2 PRO 26 1.937 15.426 -2.618 218 HB3 PRO 26 HB3 PRO 26 3.480 16.223 -3.073 219 HG2 PRO 26 HG2 PRO 26 2.424 13.543 -3.976 220 HG3 PRO 26 HG3 PRO 26 3.088 14.862 -4.995 221 HD2 PRO 26 HD2 PRO 26 4.584 12.733 -4.214 222 HD3 PRO 26 HD3 PRO 26 5.320 14.343 -4.345 223 H GLU 27 H GLU 27 2.147 15.238 0.136 224 HA GLU 27 HA GLU 27 1.587 12.781 1.438 225 HB2 GLU 27 HB2 GLU 27 1.220 14.932 2.479 226 HB3 GLU 27 HB3 GLU 27 0.004 15.372 1.275 227 HG2 GLU 27 HG2 GLU 27 -1.541 13.703 2.112 228 HG3 GLU 27 HG3 GLU 27 -0.294 12.983 3.128 229 H GLY 28 H GLY 28 0.135 11.223 1.278 230 HA2 GLY 28 HA2 GLY 28 -1.754 10.059 0.515 231 HA3 GLY 28 HA3 GLY 28 -2.027 11.307 -0.700 232 H THR 29 H THR 29 1.211 10.431 -0.871 233 HA THR 29 HA THR 29 0.855 8.663 -3.193 234 HB THR 29 HB THR 29 3.484 9.373 -1.800 235 HG1 THR 29 HG1 THR 29 2.666 11.250 -2.594 236 HG21 THR 29 HG21 THR 29 3.594 7.374 -3.234 237 HG22 THR 29 HG22 THR 29 2.815 8.263 -4.564 238 HG23 THR 29 HG23 THR 29 4.421 8.737 -3.977 239 H PHE 30 H PHE 30 0.766 6.424 -3.051 240 HA PHE 30 HA PHE 30 1.685 5.177 -0.509 241 HB2 PHE 30 HB2 PHE 30 -0.341 3.964 -0.298 242 HB3 PHE 30 HB3 PHE 30 -0.734 5.665 -0.440 243 HD1 PHE 30 HD1 PHE 30 -1.831 6.532 -2.514 244 HD2 PHE 30 HD2 PHE 30 -0.921 2.362 -2.032 245 HE1 PHE 30 HE1 PHE 30 -3.274 5.998 -4.461 246 HE2 PHE 30 HE2 PHE 30 -2.430 1.809 -3.930 247 HZ PHE 30 HZ PHE 30 -3.556 3.626 -5.189 248 H LEU 31 H LEU 31 1.854 2.903 -0.503 249 HA LEU 31 HA LEU 31 2.107 1.500 -3.070 250 HB2 LEU 31 HB2 LEU 31 4.408 0.859 -2.788 251 HB3 LEU 31 HB3 LEU 31 4.274 2.594 -2.790 252 HG LEU 31 HG LEU 31 4.391 2.413 -0.185 253 HD11 LEU 31 HD11 LEU 31 4.231 -0.049 0.117 254 HD12 LEU 31 HD12 LEU 31 5.598 -0.286 -0.990 255 HD13 LEU 31 HD13 LEU 31 5.827 0.505 0.585 256 HD21 LEU 31 HD21 LEU 31 6.794 1.701 -1.911 257 HD22 LEU 31 HD22 LEU 31 6.133 3.327 -1.646 258 HD23 LEU 31 HD23 LEU 31 6.832 2.447 -0.295 259 H VAL 32 H VAL 32 2.221 -0.786 -2.852 260 HA VAL 32 HA VAL 32 1.719 -1.864 -0.120 261 HB VAL 32 HB VAL 32 0.439 -2.940 -2.637 262 HG11 VAL 32 HG11 VAL 32 0.861 -4.760 -1.065 263 HG12 VAL 32 HG12 VAL 32 0.214 -3.790 0.282 264 HG13 VAL 32 HG13 VAL 32 -0.852 -4.352 -1.017 265 HG21 VAL 32 HG21 VAL 32 -0.750 -1.459 -0.243 266 HG22 VAL 32 HG22 VAL 32 -0.643 -0.836 -1.904 267 HG23 VAL 32 HG23 VAL 32 -1.684 -2.219 -1.553 268 H ARG 33 H ARG 33 2.833 -3.575 0.472 269 HA ARG 33 HA ARG 33 4.764 -4.867 -1.393 270 HB2 ARG 33 HB2 ARG 33 6.556 -4.416 0.367 271 HB3 ARG 33 HB3 ARG 33 6.023 -3.022 -0.574 272 HG2 ARG 33 HG2 ARG 33 4.626 -2.222 1.269 273 HG3 ARG 33 HG3 ARG 33 4.984 -3.675 2.216 274 HD2 ARG 33 HD2 ARG 33 7.125 -1.744 1.271 275 HD3 ARG 33 HD3 ARG 33 6.250 -1.503 2.788 276 HE ARG 33 HE ARG 33 8.129 -3.717 2.121 277 HH11 ARG 33 HH11 ARG 33 6.196 -2.304 4.694 278 HH12 ARG 33 HH12 ARG 33 6.974 -3.316 5.887 279 HH21 ARG 33 HH21 ARG 33 9.033 -4.843 3.584 280 HH22 ARG 33 HH22 ARG 33 8.589 -4.750 5.283 281 H ASP 34 H ASP 34 5.795 -6.749 -0.498 282 HA ASP 34 HA ASP 34 4.030 -8.482 1.066 283 HB2 ASP 34 HB2 ASP 34 5.402 -9.350 -0.759 284 HB3 ASP 34 HB3 ASP 34 6.868 -8.821 0.054 285 H SER 35 H SER 35 4.148 -9.025 3.227 286 HA SER 35 HA SER 35 5.294 -6.987 4.879 287 HB2 SER 35 HB2 SER 35 3.137 -7.990 5.376 288 HB3 SER 35 HB3 SER 35 3.905 -9.559 5.669 289 HG SER 35 HG SER 35 3.457 -8.064 7.538 290 H THR 36 H THR 36 7.051 -6.819 5.984 291 HA THR 36 HA THR 36 8.985 -9.021 6.332 292 HB THR 36 HB THR 36 10.261 -7.097 7.529 293 HG1 THR 36 HG1 THR 36 8.722 -5.570 7.788 294 HG21 THR 36 HG21 THR 36 10.902 -7.885 5.329 295 HG22 THR 36 HG22 THR 36 9.593 -6.969 4.560 296 HG23 THR 36 HG23 THR 36 10.944 -6.114 5.350 297 H SER 37 H SER 37 6.255 -7.927 8.003 298 HA SER 37 HA SER 37 7.326 -8.538 10.709 299 HB2 SER 37 HB2 SER 37 4.653 -7.392 9.839 300 HB3 SER 37 HB3 SER 37 5.222 -7.568 11.506 301 HG SER 37 HG SER 37 6.903 -6.108 11.049 302 H SER 38 H SER 38 5.004 -9.848 8.346 303 HA SER 38 HA SER 38 4.720 -12.291 10.007 304 HB2 SER 38 HB2 SER 38 2.348 -10.732 8.920 305 HB3 SER 38 HB3 SER 38 2.276 -12.315 9.715 306 HG SER 38 HG SER 38 3.201 -11.282 11.591 307 HA PRO 39 HA PRO 39 5.188 -14.031 5.949 308 HB2 PRO 39 HB2 PRO 39 4.548 -16.658 6.365 309 HB3 PRO 39 HB3 PRO 39 6.035 -15.894 7.007 310 HG2 PRO 39 HG2 PRO 39 3.402 -16.342 8.453 311 HG3 PRO 39 HG3 PRO 39 5.056 -16.734 9.021 312 HD2 PRO 39 HD2 PRO 39 3.788 -14.439 9.760 313 HD3 PRO 39 HD3 PRO 39 5.550 -14.466 9.446 314 H GLY 40 H GLY 40 4.000 -14.223 4.123 315 HA2 GLY 40 HA2 GLY 40 2.244 -14.556 2.678 316 HA3 GLY 40 HA3 GLY 40 1.327 -15.310 3.982 317 H ASP 41 H ASP 41 2.223 -12.229 5.013 318 HA ASP 41 HA ASP 41 -0.400 -11.020 4.218 319 HB2 ASP 41 HB2 ASP 41 1.437 -10.407 6.558 320 HB3 ASP 41 HB3 ASP 41 -0.063 -9.561 6.187 321 H TYR 42 H TYR 42 -0.352 -8.583 4.058 322 HA TYR 42 HA TYR 42 2.089 -7.600 2.635 323 HB2 TYR 42 HB2 TYR 42 -0.825 -7.057 1.978 324 HB3 TYR 42 HB3 TYR 42 0.560 -6.344 1.168 325 HD1 TYR 42 HD1 TYR 42 2.143 -7.850 -0.111 326 HD2 TYR 42 HD2 TYR 42 -1.658 -9.208 1.396 327 HE1 TYR 42 HE1 TYR 42 2.219 -9.794 -1.677 328 HE2 TYR 42 HE2 TYR 42 -1.586 -11.155 -0.165 329 HH TYR 42 HH TYR 42 1.151 -11.675 -2.425 330 H VAL 43 H VAL 43 2.148 -5.180 2.524 331 HA VAL 43 HA VAL 43 0.930 -3.813 4.884 332 HB VAL 43 HB VAL 43 3.857 -3.531 4.095 333 HG11 VAL 43 HG11 VAL 43 2.931 -1.446 5.043 334 HG12 VAL 43 HG12 VAL 43 2.284 -2.357 6.426 335 HG13 VAL 43 HG13 VAL 43 4.033 -2.218 6.184 336 HG21 VAL 43 HG21 VAL 43 2.609 -4.904 6.507 337 HG22 VAL 43 HG22 VAL 43 3.503 -5.682 5.188 338 HG23 VAL 43 HG23 VAL 43 4.345 -4.584 6.281 339 H LEU 44 H LEU 44 0.061 -1.932 4.415 340 HA LEU 44 HA LEU 44 0.462 -0.600 1.784 341 HB2 LEU 44 HB2 LEU 44 -1.866 -0.991 2.476 342 HB3 LEU 44 HB3 LEU 44 -1.564 -0.258 4.031 343 HG LEU 44 HG LEU 44 -1.275 1.939 3.012 344 HD11 LEU 44 HD11 LEU 44 -0.341 1.503 0.853 345 HD12 LEU 44 HD12 LEU 44 -1.772 0.568 0.357 346 HD13 LEU 44 HD13 LEU 44 -1.880 2.320 0.628 347 HD21 LEU 44 HD21 LEU 44 -3.774 0.534 1.963 348 HD22 LEU 44 HD22 LEU 44 -3.558 1.143 3.621 349 HD23 LEU 44 HD23 LEU 44 -3.595 2.273 2.258 350 H SER 45 H SER 45 1.903 1.044 1.735 351 HA SER 45 HA SER 45 2.528 2.493 4.277 352 HB2 SER 45 HB2 SER 45 4.437 2.131 1.962 353 HB3 SER 45 HB3 SER 45 4.759 2.915 3.513 354 HG SER 45 HG SER 45 4.083 0.172 3.096 355 H CYS 46 H CYS 46 2.325 4.695 4.258 356 HA CYS 46 HA CYS 46 1.538 6.031 1.694 357 HB2 CYS 46 HB2 CYS 46 0.034 6.102 4.344 358 HB3 CYS 46 HB3 CYS 46 -0.333 7.104 2.934 359 HG CYS 46 HG CYS 46 -2.112 5.178 3.174 360 H SER 47 H SER 47 2.127 8.220 1.481 361 HA SER 47 HA SER 47 3.780 9.418 3.579 362 HB2 SER 47 HB2 SER 47 3.840 11.313 1.996 363 HB3 SER 47 HB3 SER 47 4.481 9.808 1.329 364 HG SER 47 HG SER 47 2.972 11.110 -0.011 365 H GLU 48 H GLU 48 2.854 10.268 5.251 366 HA GLU 48 HA GLU 48 0.331 11.879 5.032 367 HB2 GLU 48 HB2 GLU 48 0.755 9.513 6.898 368 HB3 GLU 48 HB3 GLU 48 -0.421 10.763 7.174 369 HG2 GLU 48 HG2 GLU 48 -1.489 10.243 4.958 370 HG3 GLU 48 HG3 GLU 48 -0.376 8.879 4.787 371 H ASN 49 H ASN 49 0.265 13.666 6.334 372 HA ASN 49 HA ASN 49 0.826 15.211 7.852 373 HB2 ASN 49 HB2 ASN 49 -0.178 13.442 9.221 374 HB3 ASN 49 HB3 ASN 49 1.408 12.757 9.549 375 HD21 ASN 49 HD22 ASN 49 -0.315 15.938 9.835 376 HD22 ASN 49 HD21 ASN 49 0.367 16.280 11.417 377 H GLY 50 H GLY 50 2.918 14.640 5.996 378 HA2 GLY 50 HA2 GLY 50 5.048 15.438 5.571 379 HA3 GLY 50 HA3 GLY 50 5.128 16.051 7.223 380 H LYS 51 H LYS 51 4.380 12.735 7.123 381 HA LYS 51 HA LYS 51 7.175 11.734 7.296 382 HB2 LYS 51 HB2 LYS 51 6.607 10.493 9.353 383 HB3 LYS 51 HB3 LYS 51 6.498 12.232 9.583 384 HG2 LYS 51 HG2 LYS 51 4.042 12.141 9.396 385 HG3 LYS 51 HG3 LYS 51 4.111 10.387 9.122 386 HD2 LYS 51 HD2 LYS 51 5.042 10.082 11.392 387 HD3 LYS 51 HD3 LYS 51 5.043 11.847 11.632 388 HE2 LYS 51 HE2 LYS 51 2.571 11.874 11.226 389 HE3 LYS 51 HE3 LYS 51 2.588 10.111 11.090 390 HZ1 LYS 51 HZ1 LYS 51 3.400 10.038 13.408 391 HZ2 LYS 51 HZ2 LYS 51 3.320 11.670 13.514 392 HZ3 LYS 51 HZ3 LYS 51 1.954 10.794 13.312 393 H VAL 52 H VAL 52 6.629 9.114 7.848 394 HA VAL 52 HA VAL 52 4.809 8.205 5.654 395 HB VAL 52 HB VAL 52 7.530 7.022 6.273 396 HG11 VAL 52 HG11 VAL 52 5.986 5.276 5.543 397 HG12 VAL 52 HG12 VAL 52 5.386 6.303 4.225 398 HG13 VAL 52 HG13 VAL 52 7.041 5.671 4.187 399 HG21 VAL 52 HG21 VAL 52 6.520 8.727 3.960 400 HG22 VAL 52 HG22 VAL 52 7.845 9.102 5.077 401 HG23 VAL 52 HG23 VAL 52 8.036 7.800 3.910 402 H THR 53 H THR 53 3.438 6.669 6.118 403 HA THR 53 HA THR 53 3.456 5.393 8.821 404 HB THR 53 HB THR 53 0.978 5.345 8.534 405 HG1 THR 53 HG1 THR 53 0.158 6.832 6.928 406 HG21 THR 53 HG21 THR 53 2.044 7.147 9.850 407 HG22 THR 53 HG22 THR 53 2.196 8.141 8.383 408 HG23 THR 53 HG23 THR 53 0.591 7.719 9.012 409 H HIS 54 H HIS 54 2.459 3.281 8.973 410 HA HIS 54 HA HIS 54 2.433 1.639 6.492 411 HB2 HIS 54 HB2 HIS 54 3.945 0.862 9.008 412 HB3 HIS 54 HB3 HIS 54 3.826 -0.056 7.514 413 HD1 HIS 54 HD1 HIS 54 5.175 1.183 5.319 414 HD2 HIS 54 HD2 HIS 54 5.943 2.525 9.239 415 HE1 HIS 54 HE1 HIS 54 7.400 2.415 5.235 416 H TYR 55 H TYR 55 0.866 0.138 6.473 417 HA TYR 55 HA TYR 55 -0.640 -0.556 8.966 418 HB2 TYR 55 HB2 TYR 55 -1.842 0.169 6.264 419 HB3 TYR 55 HB3 TYR 55 -2.703 -0.186 7.760 420 HD1 TYR 55 HD1 TYR 55 -2.394 1.398 9.766 421 HD2 TYR 55 HD2 TYR 55 -1.140 2.389 5.755 422 HE1 TYR 55 HE1 TYR 55 -2.312 3.813 10.381 423 HE2 TYR 55 HE2 TYR 55 -1.086 4.796 6.365 424 HH TYR 55 HH TYR 55 -1.543 6.376 8.014 425 H LYS 56 H LYS 56 -1.137 -2.709 9.163 426 HA LYS 56 HA LYS 56 -0.090 -4.551 7.153 427 HB2 LYS 56 HB2 LYS 56 -1.582 -5.094 9.746 428 HB3 LYS 56 HB3 LYS 56 -0.853 -6.320 8.700 429 HG2 LYS 56 HG2 LYS 56 1.389 -5.226 9.013 430 HG3 LYS 56 HG3 LYS 56 0.638 -4.059 10.108 431 HD2 LYS 56 HD2 LYS 56 1.663 -5.696 11.479 432 HD3 LYS 56 HD3 LYS 56 -0.080 -5.983 11.581 433 HE2 LYS 56 HE2 LYS 56 0.153 -7.829 9.896 434 HE3 LYS 56 HE3 LYS 56 1.890 -7.506 9.810 435 HZ1 LYS 56 HZ1 LYS 56 1.976 -8.032 12.233 436 HZ2 LYS 56 HZ2 LYS 56 0.407 -8.495 12.184 437 HZ3 LYS 56 HZ3 LYS 56 1.543 -9.307 11.321 438 H LEU 57 H LEU 57 -1.043 -5.474 5.569 439 HA LEU 57 HA LEU 57 -4.019 -5.600 5.300 440 HB2 LEU 57 HB2 LEU 57 -1.720 -5.667 3.334 441 HB3 LEU 57 HB3 LEU 57 -3.318 -6.255 2.892 442 HG LEU 57 HG LEU 57 -3.029 -3.470 4.013 443 HD11 LEU 57 HD11 LEU 57 -1.367 -3.451 2.306 444 HD12 LEU 57 HD12 LEU 57 -2.331 -4.449 1.226 445 HD13 LEU 57 HD13 LEU 57 -2.820 -2.774 1.535 446 HD21 LEU 57 HD21 LEU 57 -4.866 -4.654 1.895 447 HD22 LEU 57 HD22 LEU 57 -5.293 -4.490 3.609 448 HD23 LEU 57 HD23 LEU 57 -4.986 -3.043 2.631 449 H SER 58 H SER 58 -4.349 -7.313 6.620 450 HA SER 58 HA SER 58 -2.623 -9.704 6.611 451 HB2 SER 58 HB2 SER 58 -5.007 -8.911 8.317 452 HB3 SER 58 HB3 SER 58 -4.049 -10.383 8.542 453 HG SER 58 HG SER 58 -3.328 -8.664 9.892 454 H ALA 59 H ALA 59 -3.258 -11.794 6.033 455 HA ALA 59 HA ALA 59 -5.762 -12.042 4.447 456 HB1 ALA 59 HB1 ALA 59 -3.679 -12.805 3.431 457 HB2 ALA 59 HB2 ALA 59 -3.403 -13.923 4.787 458 HB3 ALA 59 HB3 ALA 59 -4.792 -14.162 3.702 459 H GLU 60 H GLU 60 -7.580 -12.737 5.368 460 HA GLU 60 HA GLU 60 -7.501 -15.033 7.249 461 HB2 GLU 60 HB2 GLU 60 -9.094 -12.487 7.788 462 HB3 GLU 60 HB3 GLU 60 -9.417 -14.055 8.531 463 HG2 GLU 60 HG2 GLU 60 -6.954 -14.018 9.319 464 HG3 GLU 60 HG3 GLU 60 -6.970 -12.301 8.896 465 H GLU 61 H GLU 61 -9.081 -16.539 6.857 466 HA GLU 61 HA GLU 61 -10.367 -17.765 5.500 467 HB2 GLU 61 HB2 GLU 61 -11.781 -16.220 7.032 468 HB3 GLU 61 HB3 GLU 61 -12.285 -15.434 5.543 469 HG2 GLU 61 HG2 GLU 61 -13.892 -17.076 6.278 470 HG3 GLU 61 HG3 GLU 61 -13.223 -17.596 4.736 471 H GLY 62 H GLY 62 -8.486 -16.306 3.986 472 HA2 GLY 62 HA2 GLY 62 -7.867 -16.228 1.741 473 HA3 GLY 62 HA3 GLY 62 -9.495 -16.718 1.273 474 H LYS 63 H LYS 63 -9.560 -13.979 3.324 475 HA LYS 63 HA LYS 63 -9.750 -12.040 1.050 476 HB2 LYS 63 HB2 LYS 63 -11.564 -12.406 3.476 477 HB3 LYS 63 HB3 LYS 63 -11.601 -10.989 2.435 478 HG2 LYS 63 HG2 LYS 63 -11.903 -12.619 0.454 479 HG3 LYS 63 HG3 LYS 63 -12.216 -13.868 1.672 480 HD2 LYS 63 HD2 LYS 63 -14.062 -12.371 2.581 481 HD3 LYS 63 HD3 LYS 63 -13.816 -11.317 1.187 482 HE2 LYS 63 HE2 LYS 63 -14.716 -14.228 1.194 483 HE3 LYS 63 HE3 LYS 63 -15.687 -12.818 0.770 484 HZ1 LYS 63 HZ1 LYS 63 -14.202 -12.507 -1.202 485 HZ2 LYS 63 HZ2 LYS 63 -13.372 -13.849 -0.786 486 HZ3 LYS 63 HZ3 LYS 63 -14.937 -13.959 -1.213 487 H ILE 64 H ILE 64 -9.666 -9.751 1.798 488 HA ILE 64 HA ILE 64 -7.118 -9.455 3.301 489 HB ILE 64 HB ILE 64 -8.575 -7.717 1.294 490 HG12 ILE 64 HG12 ILE 64 -7.319 -9.543 0.286 491 HG13 ILE 64 HG13 ILE 64 -6.581 -7.999 -0.073 492 HG21 ILE 64 HG21 ILE 64 -7.661 -6.144 2.889 493 HG22 ILE 64 HG22 ILE 64 -6.091 -6.972 2.892 494 HG23 ILE 64 HG23 ILE 64 -6.683 -6.126 1.438 495 HD11 ILE 64 HD11 ILE 64 -4.824 -8.436 1.670 496 HD12 ILE 64 HD12 ILE 64 -5.538 -10.046 1.931 497 HD13 ILE 64 HD13 ILE 64 -4.847 -9.625 0.360 498 H ARG 65 H ARG 65 -7.159 -8.909 5.296 499 HA ARG 65 HA ARG 65 -9.260 -7.096 6.404 500 HB2 ARG 65 HB2 ARG 65 -9.089 -9.183 7.616 501 HB3 ARG 65 HB3 ARG 65 -7.332 -9.042 7.732 502 HG2 ARG 65 HG2 ARG 65 -7.497 -7.121 9.203 503 HG3 ARG 65 HG3 ARG 65 -9.264 -7.031 8.970 504 HD2 ARG 65 HD2 ARG 65 -9.513 -9.211 10.036 505 HD3 ARG 65 HD3 ARG 65 -7.740 -9.313 10.230 506 HE ARG 65 HE ARG 65 -8.721 -6.874 11.387 507 HH11 ARG 65 HH11 ARG 65 -8.613 -10.315 12.117 508 HH12 ARG 65 HH12 ARG 65 -8.688 -10.016 13.844 509 HH21 ARG 65 HH21 ARG 65 -8.739 -6.565 13.483 510 HH22 ARG 65 HH22 ARG 65 -8.764 -7.898 14.622 511 H ILE 66 H ILE 66 -8.683 -5.269 7.477 512 HA ILE 66 HA ILE 66 -5.906 -4.616 7.977 513 HB ILE 66 HB ILE 66 -5.837 -3.866 5.782 514 HG12 ILE 66 HG12 ILE 66 -6.265 -1.288 7.288 515 HG13 ILE 66 HG13 ILE 66 -4.942 -2.371 7.701 516 HG21 ILE 66 HG21 ILE 66 -8.267 -3.642 5.282 517 HG22 ILE 66 HG22 ILE 66 -8.281 -2.104 6.176 518 HG23 ILE 66 HG23 ILE 66 -7.314 -2.292 4.697 519 HD11 ILE 66 HD11 ILE 66 -3.953 -2.172 5.524 520 HD12 ILE 66 HD12 ILE 66 -5.340 -1.269 4.883 521 HD13 ILE 66 HD13 ILE 66 -4.305 -0.534 6.110 522 H ASP 67 H ASP 67 -5.861 -3.948 9.939 523 HA ASP 67 HA ASP 67 -6.547 -3.520 12.022 524 HB2 ASP 67 HB2 ASP 67 -6.316 -1.220 11.168 525 HB3 ASP 67 HB3 ASP 67 -8.036 -1.179 10.804 526 H THR 68 H THR 68 -9.695 -2.208 11.295 527 HA THR 68 HA THR 68 -11.019 -4.739 12.188 528 HB THR 68 HB THR 68 -12.873 -3.278 12.949 529 HG1 THR 68 HG1 THR 68 -12.453 -1.059 13.100 530 HG21 THR 68 HG21 THR 68 -11.101 -3.996 14.536 531 HG22 THR 68 HG22 THR 68 -10.194 -2.510 14.183 532 HG23 THR 68 HG23 THR 68 -11.793 -2.420 14.951 533 H HIS 69 H HIS 69 -10.439 -3.175 9.346 534 HA HIS 69 HA HIS 69 -13.137 -3.452 8.184 535 HB2 HIS 69 HB2 HIS 69 -10.560 -2.447 6.931 536 HB3 HIS 69 HB3 HIS 69 -12.181 -2.353 6.254 537 HD1 HIS 69 HD1 HIS 69 -13.715 -0.327 7.115 538 HD2 HIS 69 HD2 HIS 69 -9.918 -0.681 8.897 539 HE1 HIS 69 HE1 HIS 69 -13.325 1.839 8.402 540 H LEU 70 H LEU 70 -13.501 -4.767 6.432 541 HA LEU 70 HA LEU 70 -11.481 -6.801 5.657 542 HB2 LEU 70 HB2 LEU 70 -13.094 -7.693 7.431 543 HB3 LEU 70 HB3 LEU 70 -14.380 -7.472 6.247 544 HG LEU 70 HG LEU 70 -13.068 -9.054 4.702 545 HD11 LEU 70 HD11 LEU 70 -10.868 -8.929 5.850 546 HD12 LEU 70 HD12 LEU 70 -11.581 -9.629 7.312 547 HD13 LEU 70 HD13 LEU 70 -11.472 -10.585 5.815 548 HD21 LEU 70 HD21 LEU 70 -14.033 -10.130 7.385 549 HD22 LEU 70 HD22 LEU 70 -15.052 -9.772 5.973 550 HD23 LEU 70 HD23 LEU 70 -13.850 -11.067 5.884 551 H PHE 71 H PHE 71 -11.379 -7.222 3.566 552 HA PHE 71 HA PHE 71 -13.433 -6.255 1.638 553 HB2 PHE 71 HB2 PHE 71 -10.425 -5.800 1.471 554 HB3 PHE 71 HB3 PHE 71 -11.625 -5.326 0.280 555 HD1 PHE 71 HD1 PHE 71 -13.457 -3.626 1.025 556 HD2 PHE 71 HD2 PHE 71 -9.840 -4.352 3.262 557 HE1 PHE 71 HE1 PHE 71 -13.801 -1.509 2.276 558 HE2 PHE 71 HE2 PHE 71 -10.162 -2.199 4.466 559 HZ PHE 71 HZ PHE 71 -12.157 -0.806 4.010 560 H ASP 72 H ASP 72 -13.315 -7.268 -0.446 561 HA ASP 72 HA ASP 72 -12.709 -10.046 -0.340 562 HB2 ASP 72 HB2 ASP 72 -14.479 -9.080 -1.731 563 HB3 ASP 72 HB3 ASP 72 -13.284 -8.206 -2.692 564 H ASN 73 H ASN 73 -10.829 -7.336 -1.582 565 HA ASN 73 HA ASN 73 -8.418 -8.961 -1.965 566 HB2 ASN 73 HB2 ASN 73 -8.231 -8.330 -4.379 567 HB3 ASN 73 HB3 ASN 73 -9.591 -9.397 -4.058 568 HD21 ASN 73 HD22 ASN 73 -11.681 -8.701 -4.661 569 HD22 ASN 73 HD21 ASN 73 -11.953 -7.082 -5.303 570 H LEU 74 H LEU 74 -6.621 -7.533 -2.912 571 HA LEU 74 HA LEU 74 -6.195 -5.343 -1.149 572 HB2 LEU 74 HB2 LEU 74 -4.785 -6.226 -3.696 573 HB3 LEU 74 HB3 LEU 74 -4.228 -4.894 -2.689 574 HG LEU 74 HG LEU 74 -4.424 -7.801 -1.824 575 HD11 LEU 74 HD11 LEU 74 -2.561 -7.288 -3.369 576 HD12 LEU 74 HD12 LEU 74 -2.046 -5.964 -2.298 577 HD13 LEU 74 HD13 LEU 74 -1.970 -7.645 -1.733 578 HD21 LEU 74 HD21 LEU 74 -3.531 -5.297 -0.354 579 HD22 LEU 74 HD22 LEU 74 -4.807 -6.422 0.142 580 HD23 LEU 74 HD23 LEU 74 -3.125 -6.944 0.194 581 H ASP 75 H ASP 75 -7.209 -5.307 -4.600 582 HA ASP 75 HA ASP 75 -6.939 -2.476 -4.939 583 HB2 ASP 75 HB2 ASP 75 -7.045 -4.128 -6.780 584 HB3 ASP 75 HB3 ASP 75 -8.733 -4.455 -6.395 585 H ALA 76 H ALA 76 -9.691 -4.455 -3.792 586 HA ALA 76 HA ALA 76 -11.555 -2.285 -3.517 587 HB1 ALA 76 HB1 ALA 76 -12.238 -4.636 -3.557 588 HB2 ALA 76 HB2 ALA 76 -11.347 -4.949 -2.052 589 HB3 ALA 76 HB3 ALA 76 -12.757 -3.871 -2.041 590 H ALA 77 H ALA 77 -9.079 -3.584 -1.253 591 HA ALA 77 HA ALA 77 -9.807 -1.884 0.952 592 HB1 ALA 77 HB1 ALA 77 -8.475 -3.990 1.122 593 HB2 ALA 77 HB2 ALA 77 -7.120 -3.182 0.308 594 HB3 ALA 77 HB3 ALA 77 -7.675 -2.604 1.892 595 H ILE 78 H ILE 78 -7.411 -1.469 -1.696 596 HA ILE 78 HA ILE 78 -6.492 1.155 -0.949 597 HB ILE 78 HB ILE 78 -6.718 -0.263 -3.633 598 HG12 ILE 78 HG12 ILE 78 -5.140 -1.387 -2.196 599 HG13 ILE 78 HG13 ILE 78 -4.272 -0.544 -3.453 600 HG21 ILE 78 HG21 ILE 78 -6.665 2.121 -4.132 601 HG22 ILE 78 HG22 ILE 78 -5.258 2.336 -3.072 602 HG23 ILE 78 HG23 ILE 78 -5.124 1.374 -4.550 603 HD11 ILE 78 HD11 ILE 78 -3.719 1.264 -1.766 604 HD12 ILE 78 HD12 ILE 78 -4.514 0.266 -0.523 605 HD13 ILE 78 HD13 ILE 78 -3.093 -0.341 -1.376 606 H THR 79 H THR 79 -9.105 0.189 -3.159 607 HA THR 79 HA THR 79 -10.072 2.756 -3.818 608 HB THR 79 HB THR 79 -11.673 0.177 -3.602 609 HG1 THR 79 HG1 THR 79 -10.044 -0.079 -5.033 610 HG21 THR 79 HG21 THR 79 -13.227 2.057 -3.818 611 HG22 THR 79 HG22 THR 79 -12.243 2.761 -5.122 612 HG23 THR 79 HG23 THR 79 -13.101 1.224 -5.370 613 H PHE 80 H PHE 80 -11.023 0.737 -0.974 614 HA PHE 80 HA PHE 80 -13.003 2.507 0.033 615 HB2 PHE 80 HB2 PHE 80 -12.632 0.250 0.879 616 HB3 PHE 80 HB3 PHE 80 -11.053 0.703 1.505 617 HD1 PHE 80 HD1 PHE 80 -14.724 1.181 1.917 618 HD2 PHE 80 HD2 PHE 80 -10.821 1.940 3.586 619 HE1 PHE 80 HE1 PHE 80 -15.775 1.931 4.041 620 HE2 PHE 80 HE2 PHE 80 -11.873 2.692 5.705 621 HZ PHE 80 HZ PHE 80 -14.352 2.696 5.933 622 H TYR 81 H TYR 81 -9.438 2.541 0.602 623 HA TYR 81 HA TYR 81 -9.657 5.007 2.139 624 HB2 TYR 81 HB2 TYR 81 -7.241 3.444 1.234 625 HB3 TYR 81 HB3 TYR 81 -7.193 4.877 2.264 626 HD1 TYR 81 HD2 TYR 81 -9.054 4.736 4.302 627 HD2 TYR 81 HD1 TYR 81 -6.961 1.447 2.447 628 HE1 TYR 81 HE2 TYR 81 -9.340 3.387 6.371 629 HE2 TYR 81 HE1 TYR 81 -7.255 0.102 4.522 630 HH TYR 81 HH TYR 81 -8.948 1.387 7.403 631 H MET 82 H MET 82 -9.774 4.549 -1.187 632 HA MET 82 HA MET 82 -8.636 7.205 -1.871 633 HB2 MET 82 HB2 MET 82 -10.389 5.261 -3.428 634 HB3 MET 82 HB3 MET 82 -9.859 6.809 -4.046 635 HG2 MET 82 HG2 MET 82 -7.840 4.760 -3.105 636 HG3 MET 82 HG3 MET 82 -8.571 4.683 -4.703 637 HE1 MET 82 HE1 MET 82 -5.603 4.643 -4.618 638 HE2 MET 82 HE2 MET 82 -6.538 4.802 -6.123 639 HE3 MET 82 HE3 MET 82 -5.158 5.879 -5.824 640 H GLU 83 H GLU 83 -11.799 5.710 -1.174 641 HA GLU 83 HA GLU 83 -13.311 8.191 -1.558 642 HB2 GLU 83 HB2 GLU 83 -14.052 5.438 -0.488 643 HB3 GLU 83 HB3 GLU 83 -15.202 6.753 -0.715 644 HG2 GLU 83 HG2 GLU 83 -13.548 5.498 -2.951 645 HG3 GLU 83 HG3 GLU 83 -15.209 5.081 -2.560 646 H HIS 84 H HIS 84 -11.936 6.481 1.216 647 HA HIS 84 HA HIS 84 -12.991 8.581 3.071 648 HB2 HIS 84 HB2 HIS 84 -12.495 5.638 3.650 649 HB3 HIS 84 HB3 HIS 84 -13.119 6.837 4.780 650 HD1 HIS 84 HD1 HIS 84 -15.659 7.890 3.999 651 HD2 HIS 84 HD2 HIS 84 -14.264 4.342 2.219 652 HE1 HIS 84 HE1 HIS 84 -17.690 6.785 2.925 653 H GLU 85 H GLU 85 -11.644 9.181 4.861 654 HA GLU 85 HA GLU 85 -8.807 9.247 4.258 655 HB2 GLU 85 HB2 GLU 85 -10.342 10.084 6.741 656 HB3 GLU 85 HB3 GLU 85 -8.614 10.368 6.471 657 HG2 GLU 85 HG2 GLU 85 -9.102 11.714 4.473 658 HG3 GLU 85 HG3 GLU 85 -10.833 11.421 4.657 659 H LEU 86 H LEU 86 -7.099 8.144 5.128 660 HA LEU 86 HA LEU 86 -7.677 5.497 6.187 661 HB2 LEU 86 HB2 LEU 86 -5.973 6.239 4.395 662 HB3 LEU 86 HB3 LEU 86 -4.950 6.760 5.721 663 HG LEU 86 HG LEU 86 -5.977 3.950 5.184 664 HD11 LEU 86 HD11 LEU 86 -4.237 4.722 3.636 665 HD12 LEU 86 HD12 LEU 86 -3.196 5.161 5.012 666 HD13 LEU 86 HD13 LEU 86 -3.606 3.460 4.708 667 HD21 LEU 86 HD21 LEU 86 -4.225 4.943 7.442 668 HD22 LEU 86 HD22 LEU 86 -5.761 4.049 7.558 669 HD23 LEU 86 HD23 LEU 86 -4.326 3.238 6.950 670 H GLU 87 H GLU 87 -5.449 8.039 7.297 671 HA GLU 87 HA GLU 87 -6.439 7.766 10.098 672 HB2 GLU 87 HB2 GLU 87 -4.476 6.216 9.802 673 HB3 GLU 87 HB3 GLU 87 -3.502 7.614 9.340 674 HG2 GLU 87 HG2 GLU 87 -3.011 7.128 11.615 675 HG3 GLU 87 HG3 GLU 87 -3.941 8.617 11.608 676 H TYR 88 H TYR 88 -4.050 9.486 8.023 677 HA TYR 88 HA TYR 88 -4.771 12.082 9.338 678 HB2 TYR 88 HB2 TYR 88 -2.368 11.282 7.701 679 HB3 TYR 88 HB3 TYR 88 -2.592 12.836 8.444 680 HD1 TYR 88 HD2 TYR 88 -1.706 9.302 9.040 681 HD2 TYR 88 HD1 TYR 88 -2.312 13.158 10.881 682 HE1 TYR 88 HE2 TYR 88 -0.488 8.524 11.059 683 HE2 TYR 88 HE1 TYR 88 -1.048 12.386 12.891 684 HH TYR 88 HH TYR 88 0.230 9.048 13.165 685 H SER 89 H SER 89 -4.488 10.381 6.210 686 HA SER 89 HA SER 89 -6.371 12.293 4.998 687 HB2 SER 89 HB2 SER 89 -4.010 13.193 4.643 688 HB3 SER 89 HB3 SER 89 -3.696 11.766 3.643 689 HG SER 89 HG SER 89 -4.504 13.848 2.651 690 H SER 90 H SER 90 -6.903 11.602 2.697 691 HA SER 90 HA SER 90 -7.259 8.663 2.475 692 HB2 SER 90 HB2 SER 90 -8.637 9.251 0.493 693 HB3 SER 90 HB3 SER 90 -9.212 9.979 2.000 694 HG SER 90 HG SER 90 -9.208 11.500 0.323 695 H LEU 91 H LEU 91 -6.752 7.601 0.428 696 HA LEU 91 HA LEU 91 -4.043 8.026 -0.493 697 HB2 LEU 91 HB2 LEU 91 -6.305 6.404 -1.728 698 HB3 LEU 91 HB3 LEU 91 -4.602 6.272 -2.131 699 HG LEU 91 HG LEU 91 -5.972 5.459 0.446 700 HD11 LEU 91 HD11 LEU 91 -6.132 3.927 -1.530 701 HD12 LEU 91 HD12 LEU 91 -4.361 3.848 -1.563 702 HD13 LEU 91 HD13 LEU 91 -5.260 3.211 -0.172 703 HD21 LEU 91 HD21 LEU 91 -3.005 5.465 -0.144 704 HD22 LEU 91 HD22 LEU 91 -3.837 6.355 1.149 705 HD23 LEU 91 HD23 LEU 91 -3.766 4.589 1.196 706 H LYS 92 H LYS 92 -3.271 8.956 -2.346 707 HA LYS 92 HA LYS 92 -5.194 10.484 -4.090 708 HB2 LYS 92 HB2 LYS 92 -2.379 11.325 -3.282 709 HB3 LYS 92 HB3 LYS 92 -3.488 12.220 -4.307 710 HG2 LYS 92 HG2 LYS 92 -3.999 11.592 -1.371 711 HG3 LYS 92 HG3 LYS 92 -3.329 13.098 -1.993 712 HD2 LYS 92 HD2 LYS 92 -5.439 13.475 -3.275 713 HD3 LYS 92 HD3 LYS 92 -6.136 12.022 -2.536 714 HE2 LYS 92 HE2 LYS 92 -5.022 14.400 -0.980 715 HE3 LYS 92 HE3 LYS 92 -6.727 14.225 -1.400 716 HZ1 LYS 92 HZ1 LYS 92 -6.892 12.294 -0.024 717 HZ2 LYS 92 HZ2 LYS 92 -5.289 12.168 0.203 718 HZ3 LYS 92 HZ3 LYS 92 -6.110 13.404 0.879 719 H GLN 93 H GLN 93 -1.988 8.853 -4.068 720 HA GLN 93 HA GLN 93 -2.436 8.035 -6.851 721 HB2 GLN 93 HB2 GLN 93 -0.392 9.065 -7.715 722 HB3 GLN 93 HB3 GLN 93 -1.528 10.282 -7.135 723 HG2 GLN 93 HG2 GLN 93 -0.197 10.467 -5.007 724 HG3 GLN 93 HG3 GLN 93 0.951 9.294 -5.653 725 HE21 GLN 93 HE22 GLN 93 2.237 11.342 -4.968 726 HE22 GLN 93 HE21 GLN 93 2.564 12.458 -6.305 727 HA PRO 94 HA PRO 94 0.243 4.676 -5.492 728 HB2 PRO 94 HB2 PRO 94 0.785 3.450 -7.847 729 HB3 PRO 94 HB3 PRO 94 -0.868 3.454 -7.151 730 HG2 PRO 94 HG2 PRO 94 0.218 5.299 -9.289 731 HG3 PRO 94 HG3 PRO 94 -1.299 4.343 -9.309 732 HD2 PRO 94 HD2 PRO 94 -1.240 6.966 -8.545 733 HD3 PRO 94 HD3 PRO 94 -2.348 5.789 -7.779 734 H LEU 95 H LEU 95 2.472 4.413 -5.198 735 HA LEU 95 HA LEU 95 4.364 6.292 -6.342 736 HB2 LEU 95 HB2 LEU 95 4.671 5.210 -4.097 737 HB3 LEU 95 HB3 LEU 95 4.804 3.650 -4.895 738 HG LEU 95 HG LEU 95 6.857 4.434 -6.094 739 HD11 LEU 95 HD11 LEU 95 6.493 6.877 -6.100 740 HD12 LEU 95 HD12 LEU 95 6.556 6.899 -4.324 741 HD13 LEU 95 HD13 LEU 95 8.000 6.488 -5.275 742 HD21 LEU 95 HD21 LEU 95 7.099 4.808 -3.102 743 HD22 LEU 95 HD22 LEU 95 6.975 3.233 -3.918 744 HD23 LEU 95 HD23 LEU 95 8.356 4.282 -4.246 745 H GLN 96 H GLN 96 5.792 5.989 -8.093 746 HA GLN 96 HA GLN 96 5.003 4.050 -10.080 747 HB2 GLN 96 HB2 GLN 96 6.709 5.031 -11.484 748 HB3 GLN 96 HB3 GLN 96 5.686 6.258 -10.737 749 HG2 GLN 96 HG2 GLN 96 7.492 6.723 -9.061 750 HG3 GLN 96 HG3 GLN 96 8.516 5.524 -9.855 751 HE21 GLN 96 HE22 GLN 96 9.739 7.845 -9.708 752 HE22 GLN 96 HE21 GLN 96 9.648 8.731 -11.226 753 H ARG 97 H ARG 97 5.927 2.216 -10.800 754 HA ARG 97 HA ARG 97 8.578 1.352 -9.859 755 HB2 ARG 97 HB2 ARG 97 7.990 -0.753 -9.165 756 HB3 ARG 97 HB3 ARG 97 6.749 0.242 -8.425 757 HG2 ARG 97 HG2 ARG 97 6.407 -1.453 -10.944 758 HG3 ARG 97 HG3 ARG 97 5.938 -1.922 -9.326 759 HD2 ARG 97 HD2 ARG 97 4.241 -0.263 -9.175 760 HD3 ARG 97 HD3 ARG 97 4.768 0.542 -10.653 761 HE ARG 97 HE ARG 97 3.076 -1.816 -10.448 762 HH11 ARG 97 HH11 ARG 97 5.297 -0.142 -12.666 763 HH12 ARG 97 HH12 ARG 97 4.407 -0.702 -14.053 764 HH21 ARG 97 HH21 ARG 97 2.111 -2.570 -12.349 765 HH22 ARG 97 HH22 ARG 97 2.700 -1.990 -13.878 Start of MODEL 16 1 H1 GLY -6 H1 GLY -6 15.472 -17.971 -34.720 2 H2 GLY -6 H2 GLY -6 15.296 -16.510 -35.437 3 H3 GLY -6 H3 GLY -6 16.793 -17.065 -35.069 4 HA2 GLY -6 HA2 GLY -6 16.340 -16.955 -32.714 5 HA3 GLY -6 HA3 GLY -6 16.130 -15.375 -33.491 6 H SER -5 H SER -5 14.787 -14.847 -31.640 7 HA SER -5 HA SER -5 11.941 -15.434 -32.128 8 HB2 SER -5 HB2 SER -5 12.782 -17.145 -30.451 9 HB3 SER -5 HB3 SER -5 13.109 -15.796 -29.344 10 HG SER -5 HG SER -5 11.019 -16.740 -29.034 11 H SER -4 H SER -4 10.522 -13.949 -30.980 12 HA SER -4 HA SER -4 11.721 -11.331 -30.195 13 HB2 SER -4 HB2 SER -4 9.674 -11.715 -32.418 14 HB3 SER -4 HB3 SER -4 10.210 -10.159 -31.763 15 HG SER -4 HG SER -4 11.329 -10.740 -33.689 16 H GLY -3 H GLY -3 10.332 -9.919 -29.080 17 HA2 GLY -3 HA2 GLY -3 8.516 -9.190 -27.878 18 HA3 GLY -3 HA3 GLY -3 7.535 -10.440 -28.640 19 H SER -2 H SER -2 10.270 -11.696 -26.944 20 HA SER -2 HA SER -2 8.784 -13.389 -25.334 21 HB2 SER -2 HB2 SER -2 11.615 -12.435 -24.772 22 HB3 SER -2 HB3 SER -2 10.886 -13.973 -24.274 23 HG SER -2 HG SER -2 12.175 -14.203 -26.159 24 H SER -1 H SER -1 9.732 -10.110 -24.497 25 HA SER -1 HA SER -1 9.065 -10.420 -21.635 26 HB2 SER -1 HB2 SER -1 9.862 -8.075 -21.498 27 HB3 SER -1 HB3 SER -1 11.060 -9.189 -22.176 28 HG SER -1 HG SER -1 10.885 -7.235 -23.392 29 H GLY 0 H GLY 0 7.195 -9.915 -24.364 30 HA2 GLY 0 HA2 GLY 0 5.678 -7.611 -23.890 31 HA3 GLY 0 HA3 GLY 0 5.108 -9.034 -24.760 32 H MET 1 H MET 1 4.364 -7.034 -22.337 33 HA MET 1 HA MET 1 3.263 -6.971 -20.408 34 HB2 MET 1 HB2 MET 1 1.047 -7.835 -20.405 35 HB3 MET 1 HB3 MET 1 1.467 -7.221 -21.996 36 HG2 MET 1 HG2 MET 1 1.768 -9.474 -22.860 37 HG3 MET 1 HG3 MET 1 1.503 -10.176 -21.264 38 HE1 MET 1 HE1 MET 1 -0.779 -10.491 -20.120 39 HE2 MET 1 HE2 MET 1 -1.041 -8.732 -20.054 40 HE3 MET 1 HE3 MET 1 -2.311 -9.796 -20.689 41 H ALA 2 H ALA 2 5.486 -8.895 -20.250 42 HA ALA 2 HA ALA 2 4.639 -11.068 -18.551 43 HB1 ALA 2 HB1 ALA 2 6.603 -11.197 -20.027 44 HB2 ALA 2 HB2 ALA 2 7.407 -9.921 -19.081 45 HB3 ALA 2 HB3 ALA 2 7.047 -11.491 -18.336 46 H GLU 3 H GLU 3 4.973 -11.407 -16.374 47 HA GLU 3 HA GLU 3 4.843 -10.948 -14.174 48 HB2 GLU 3 HB2 GLU 3 7.312 -10.781 -14.889 49 HB3 GLU 3 HB3 GLU 3 7.169 -9.055 -14.558 50 HG2 GLU 3 HG2 GLU 3 6.517 -9.599 -12.199 51 HG3 GLU 3 HG3 GLU 3 6.569 -11.316 -12.587 52 H ALA 4 H ALA 4 2.968 -9.379 -15.588 53 HA ALA 4 HA ALA 4 2.921 -6.670 -14.646 54 HB1 ALA 4 HB1 ALA 4 1.808 -7.404 -16.707 55 HB2 ALA 4 HB2 ALA 4 0.690 -8.417 -15.761 56 HB3 ALA 4 HB3 ALA 4 0.650 -6.649 -15.593 57 H ALA 5 H ALA 5 1.827 -5.674 -13.025 58 HA ALA 5 HA ALA 5 0.027 -7.053 -11.174 59 HB1 ALA 5 HB1 ALA 5 2.265 -7.628 -10.253 60 HB2 ALA 5 HB2 ALA 5 2.704 -5.905 -10.231 61 HB3 ALA 5 HB3 ALA 5 1.405 -6.511 -9.178 62 H ALA 6 H ALA 6 -0.926 -5.483 -9.595 63 HA ALA 6 HA ALA 6 -1.855 -3.090 -10.710 64 HB1 ALA 6 HB1 ALA 6 -2.896 -4.304 -8.822 65 HB2 ALA 6 HB2 ALA 6 -1.553 -3.811 -7.762 66 HB3 ALA 6 HB3 ALA 6 -2.648 -2.593 -8.447 67 HA PRO 7 HA PRO 7 1.527 -0.388 -10.743 68 HB2 PRO 7 HB2 PRO 7 0.452 2.134 -10.418 69 HB3 PRO 7 HB3 PRO 7 0.256 1.126 -11.882 70 HG2 PRO 7 HG2 PRO 7 -1.660 1.396 -9.545 71 HG3 PRO 7 HG3 PRO 7 -2.025 1.520 -11.297 72 HD2 PRO 7 HD2 PRO 7 -2.450 -0.786 -9.966 73 HD3 PRO 7 HD3 PRO 7 -1.744 -0.823 -11.610 74 H TRP 8 H TRP 8 -0.440 -0.083 -7.830 75 HA TRP 8 HA TRP 8 1.598 1.308 -6.264 76 HB2 TRP 8 HB2 TRP 8 -0.147 0.613 -4.413 77 HB3 TRP 8 HB3 TRP 8 -0.460 1.902 -5.532 78 HD1 TRP 8 HD1 TRP 8 -2.486 1.693 -7.148 79 HE1 TRP 8 HE1 TRP 8 -4.406 0.010 -7.441 80 HE3 TRP 8 HE3 TRP 8 -0.705 -2.081 -4.209 81 HZ2 TRP 8 HZ2 TRP 8 -5.122 -2.593 -6.445 82 HZ3 TRP 8 HZ3 TRP 8 -2.055 -4.141 -3.838 83 HH2 TRP 8 HH2 TRP 8 -4.250 -4.417 -4.976 84 H TYR 9 H TYR 9 1.395 -1.974 -7.196 85 HA TYR 9 HA TYR 9 2.363 -3.033 -4.623 86 HB2 TYR 9 HB2 TYR 9 0.763 -4.249 -6.086 87 HB3 TYR 9 HB3 TYR 9 2.026 -4.412 -7.299 88 HD1 TYR 9 HD2 TYR 9 1.306 -5.120 -3.671 89 HD2 TYR 9 HD1 TYR 9 3.431 -6.322 -7.231 90 HE1 TYR 9 HE2 TYR 9 2.030 -7.219 -2.534 91 HE2 TYR 9 HE1 TYR 9 4.136 -8.422 -6.098 92 HH TYR 9 HH TYR 9 4.013 -9.698 -4.201 93 H HIS 10 H HIS 10 4.363 -3.325 -4.032 94 HA HIS 10 HA HIS 10 6.614 -3.168 -6.010 95 HB2 HIS 10 HB2 HIS 10 6.344 -2.021 -3.216 96 HB3 HIS 10 HB3 HIS 10 7.905 -2.248 -3.997 97 HD1 HIS 10 HD1 HIS 10 8.691 -0.372 -5.620 98 HD2 HIS 10 HD2 HIS 10 4.596 -0.297 -4.680 99 HE1 HIS 10 HE1 HIS 10 7.757 1.767 -6.656 100 H GLY 11 H GLY 11 5.062 -5.448 -4.175 101 HA2 GLY 11 HA2 GLY 11 5.672 -7.577 -3.505 102 HA3 GLY 11 HA3 GLY 11 7.094 -7.373 -4.514 103 HA PRO 12 HA PRO 12 8.693 -7.801 -0.244 104 HB2 PRO 12 HB2 PRO 12 11.038 -9.059 -0.728 105 HB3 PRO 12 HB3 PRO 12 9.465 -9.861 -0.984 106 HG2 PRO 12 HG2 PRO 12 11.170 -8.453 -3.073 107 HG3 PRO 12 HG3 PRO 12 10.492 -10.113 -3.140 108 HD2 PRO 12 HD2 PRO 12 9.236 -7.964 -4.279 109 HD3 PRO 12 HD3 PRO 12 8.317 -9.312 -3.541 110 H LEU 13 H LEU 13 8.584 -5.280 -0.869 111 HA LEU 13 HA LEU 13 11.212 -3.983 -0.920 112 HB2 LEU 13 HB2 LEU 13 8.944 -3.083 -1.843 113 HB3 LEU 13 HB3 LEU 13 8.538 -2.758 -0.160 114 HG LEU 13 HG LEU 13 10.550 -1.254 -0.019 115 HD11 LEU 13 HD11 LEU 13 11.954 -2.105 -1.829 116 HD12 LEU 13 HD12 LEU 13 10.661 -1.819 -3.017 117 HD13 LEU 13 HD13 LEU 13 11.475 -0.454 -2.235 118 HD21 LEU 13 HD21 LEU 13 8.576 -0.569 -2.237 119 HD22 LEU 13 HD22 LEU 13 8.260 -0.401 -0.499 120 HD23 LEU 13 HD23 LEU 13 9.522 0.576 -1.264 121 H SER 14 H SER 14 12.213 -2.980 0.896 122 HA SER 14 HA SER 14 11.370 -3.918 3.598 123 HB2 SER 14 HB2 SER 14 13.852 -2.428 2.667 124 HB3 SER 14 HB3 SER 14 13.524 -2.945 4.332 125 HG SER 14 HG SER 14 14.834 -4.452 3.159 126 H ARG 15 H ARG 15 11.121 -2.452 5.365 127 HA ARG 15 HA ARG 15 9.486 -0.173 4.943 128 HB2 ARG 15 HB2 ARG 15 11.175 -1.178 7.247 129 HB3 ARG 15 HB3 ARG 15 10.612 0.486 7.286 130 HG2 ARG 15 HG2 ARG 15 8.244 -0.355 6.882 131 HG3 ARG 15 HG3 ARG 15 8.883 -2.001 7.084 132 HD2 ARG 15 HD2 ARG 15 8.005 -1.223 9.222 133 HD3 ARG 15 HD3 ARG 15 9.784 -1.300 9.324 134 HE ARG 15 HE ARG 15 9.353 1.309 8.570 135 HH11 ARG 15 HH11 ARG 15 8.033 -0.446 11.316 136 HH12 ARG 15 HH12 ARG 15 7.978 1.008 12.278 137 HH21 ARG 15 HH21 ARG 15 9.343 2.956 9.754 138 HH22 ARG 15 HH22 ARG 15 8.706 2.961 11.403 139 H THR 16 H THR 16 12.992 -0.118 5.701 140 HA THR 16 HA THR 16 13.336 2.625 5.556 141 HB THR 16 HB THR 16 15.428 0.697 4.495 142 HG1 THR 16 HG1 THR 16 15.973 0.382 6.665 143 HG21 THR 16 HG21 THR 16 16.076 3.064 4.432 144 HG22 THR 16 HG22 THR 16 15.541 3.285 6.114 145 HG23 THR 16 HG23 THR 16 16.950 2.260 5.743 146 H ASP 17 H ASP 17 13.235 0.416 2.752 147 HA ASP 17 HA ASP 17 13.900 2.446 0.771 148 HB2 ASP 17 HB2 ASP 17 12.699 -0.342 0.657 149 HB3 ASP 17 HB3 ASP 17 12.846 0.662 -0.771 150 H ALA 18 H ALA 18 10.815 1.063 2.006 151 HA ALA 18 HA ALA 18 9.064 2.607 0.355 152 HB1 ALA 18 HB1 ALA 18 8.365 0.612 1.644 153 HB2 ALA 18 HB2 ALA 18 8.661 1.469 3.166 154 HB3 ALA 18 HB3 ALA 18 7.376 2.020 2.085 155 H GLU 19 H GLU 19 10.437 3.283 3.591 156 HA GLU 19 HA GLU 19 9.127 5.797 3.978 157 HB2 GLU 19 HB2 GLU 19 11.604 4.586 5.256 158 HB3 GLU 19 HB3 GLU 19 10.884 6.126 5.748 159 HG2 GLU 19 HG2 GLU 19 8.732 4.979 6.222 160 HG3 GLU 19 HG3 GLU 19 9.450 3.441 5.768 161 H ASN 20 H ASN 20 12.430 5.084 2.672 162 HA ASN 20 HA ASN 20 13.055 7.886 2.293 163 HB2 ASN 20 HB2 ASN 20 14.202 5.289 1.222 164 HB3 ASN 20 HB3 ASN 20 14.697 6.831 0.537 165 HD21 ASN 20 HD22 ASN 20 14.711 4.924 3.524 166 HD22 ASN 20 HD21 ASN 20 15.958 5.905 4.305 167 H SER 21 H SER 21 11.375 5.518 0.209 168 HA SER 21 HA SER 21 11.221 7.229 -2.105 169 HB2 SER 21 HB2 SER 21 9.338 4.991 -1.254 170 HB3 SER 21 HB3 SER 21 9.427 5.750 -2.852 171 HG SER 21 HG SER 21 11.367 4.149 -1.533 172 H LEU 22 H LEU 22 8.801 6.602 0.511 173 HA LEU 22 HA LEU 22 6.977 8.569 -0.579 174 HB2 LEU 22 HB2 LEU 22 7.026 6.661 1.694 175 HB3 LEU 22 HB3 LEU 22 6.033 8.076 1.916 176 HG LEU 22 HG LEU 22 4.703 7.604 -0.020 177 HD11 LEU 22 HD11 LEU 22 6.239 6.613 -1.618 178 HD12 LEU 22 HD12 LEU 22 6.553 5.244 -0.523 179 HD13 LEU 22 HD13 LEU 22 4.952 5.447 -1.276 180 HD21 LEU 22 HD21 LEU 22 5.165 5.033 1.553 181 HD22 LEU 22 HD22 LEU 22 4.325 6.465 2.179 182 HD23 LEU 22 HD23 LEU 22 3.658 5.589 0.785 183 H LEU 23 H LEU 23 9.576 8.877 1.808 184 HA LEU 23 HA LEU 23 8.710 11.488 2.712 185 HB2 LEU 23 HB2 LEU 23 10.230 9.981 3.971 186 HB3 LEU 23 HB3 LEU 23 11.456 10.180 2.717 187 HG LEU 23 HG LEU 23 11.634 12.597 3.283 188 HD11 LEU 23 HD11 LEU 23 9.383 13.057 4.164 189 HD12 LEU 23 HD12 LEU 23 9.648 11.914 5.502 190 HD13 LEU 23 HD13 LEU 23 10.592 13.416 5.396 191 HD21 LEU 23 HD21 LEU 23 11.898 10.733 5.677 192 HD22 LEU 23 HD22 LEU 23 13.091 10.935 4.373 193 HD23 LEU 23 HD23 LEU 23 12.731 12.289 5.456 194 H ARG 24 H ARG 24 10.542 10.381 -0.091 195 HA ARG 24 HA ARG 24 11.297 13.087 -0.948 196 HB2 ARG 24 HB2 ARG 24 12.636 11.039 -1.440 197 HB3 ARG 24 HB3 ARG 24 11.323 10.436 -2.460 198 HG2 ARG 24 HG2 ARG 24 11.598 12.364 -3.983 199 HG3 ARG 24 HG3 ARG 24 12.853 13.038 -2.920 200 HD2 ARG 24 HD2 ARG 24 14.248 11.028 -3.301 201 HD3 ARG 24 HD3 ARG 24 12.990 10.354 -4.359 202 HE ARG 24 HE ARG 24 13.664 12.936 -5.333 203 HH11 ARG 24 HH11 ARG 24 15.209 9.800 -5.107 204 HH12 ARG 24 HH12 ARG 24 16.225 10.097 -6.492 205 HH21 ARG 24 HH21 ARG 24 14.988 13.252 -7.090 206 HH22 ARG 24 HH22 ARG 24 16.097 12.005 -7.580 207 H MET 25 H MET 25 8.647 10.868 -1.574 208 HA MET 25 HA MET 25 7.438 12.438 -3.707 209 HB2 MET 25 HB2 MET 25 6.509 10.093 -2.017 210 HB3 MET 25 HB3 MET 25 5.490 10.815 -3.237 211 HG2 MET 25 HG2 MET 25 8.232 9.685 -3.762 212 HG3 MET 25 HG3 MET 25 6.742 8.818 -4.041 213 HE1 MET 25 HE1 MET 25 5.347 8.925 -6.195 214 HE2 MET 25 HE2 MET 25 4.729 10.447 -5.515 215 HE3 MET 25 HE3 MET 25 5.239 10.377 -7.216 216 HA PRO 26 HA PRO 26 4.835 15.152 -1.290 217 HB2 PRO 26 HB2 PRO 26 2.578 15.410 -2.796 218 HB3 PRO 26 HB3 PRO 26 4.167 16.056 -3.317 219 HG2 PRO 26 HG2 PRO 26 2.891 13.428 -4.085 220 HG3 PRO 26 HG3 PRO 26 3.586 14.670 -5.180 221 HD2 PRO 26 HD2 PRO 26 5.003 12.500 -4.405 222 HD3 PRO 26 HD3 PRO 26 5.808 14.076 -4.571 223 H GLU 27 H GLU 27 2.818 15.292 -0.103 224 HA GLU 27 HA GLU 27 2.009 13.009 1.356 225 HB2 GLU 27 HB2 GLU 27 1.762 15.396 2.062 226 HB3 GLU 27 HB3 GLU 27 0.540 15.615 0.814 227 HG2 GLU 27 HG2 GLU 27 -0.757 13.693 2.075 228 HG3 GLU 27 HG3 GLU 27 0.356 14.043 3.399 229 H GLY 28 H GLY 28 0.558 11.455 1.098 230 HA2 GLY 28 HA2 GLY 28 -1.466 10.470 0.408 231 HA3 GLY 28 HA3 GLY 28 -1.619 11.671 -0.872 232 H THR 29 H THR 29 1.504 10.507 -0.997 233 HA THR 29 HA THR 29 0.994 8.664 -3.226 234 HB THR 29 HB THR 29 3.686 9.254 -1.895 235 HG1 THR 29 HG1 THR 29 3.009 11.158 -2.726 236 HG21 THR 29 HG21 THR 29 3.621 7.205 -3.276 237 HG22 THR 29 HG22 THR 29 2.909 8.126 -4.622 238 HG23 THR 29 HG23 THR 29 4.550 8.483 -4.046 239 H PHE 30 H PHE 30 0.881 6.430 -3.047 240 HA PHE 30 HA PHE 30 1.705 5.218 -0.463 241 HB2 PHE 30 HB2 PHE 30 -0.353 4.050 -0.261 242 HB3 PHE 30 HB3 PHE 30 -0.705 5.752 -0.443 243 HD1 PHE 30 HD1 PHE 30 -1.780 6.603 -2.531 244 HD2 PHE 30 HD2 PHE 30 -0.920 2.429 -1.991 245 HE1 PHE 30 HE1 PHE 30 -3.213 6.055 -4.494 246 HE2 PHE 30 HE2 PHE 30 -2.411 1.871 -3.902 247 HZ PHE 30 HZ PHE 30 -3.481 3.684 -5.211 248 H LEU 31 H LEU 31 1.827 2.924 -0.427 249 HA LEU 31 HA LEU 31 2.089 1.491 -2.975 250 HB2 LEU 31 HB2 LEU 31 4.355 0.753 -2.661 251 HB3 LEU 31 HB3 LEU 31 4.297 2.498 -2.683 252 HG LEU 31 HG LEU 31 4.361 2.327 -0.071 253 HD11 LEU 31 HD11 LEU 31 4.129 -0.129 0.252 254 HD12 LEU 31 HD12 LEU 31 5.507 -0.414 -0.828 255 HD13 LEU 31 HD13 LEU 31 5.731 0.386 0.741 256 HD21 LEU 31 HD21 LEU 31 6.758 1.547 -1.773 257 HD22 LEU 31 HD22 LEU 31 6.143 3.190 -1.492 258 HD23 LEU 31 HD23 LEU 31 6.808 2.275 -0.149 259 H VAL 32 H VAL 32 2.213 -0.801 -2.738 260 HA VAL 32 HA VAL 32 1.639 -1.858 -0.019 261 HB VAL 32 HB VAL 32 0.417 -2.939 -2.562 262 HG11 VAL 32 HG11 VAL 32 0.807 -4.762 -0.995 263 HG12 VAL 32 HG12 VAL 32 0.152 -3.799 0.350 264 HG13 VAL 32 HG13 VAL 32 -0.906 -4.352 -0.960 265 HG21 VAL 32 HG21 VAL 32 -0.821 -1.461 -0.189 266 HG22 VAL 32 HG22 VAL 32 -0.682 -0.838 -1.848 267 HG23 VAL 32 HG23 VAL 32 -1.732 -2.219 -1.517 268 H ARG 33 H ARG 33 2.758 -3.550 0.620 269 HA ARG 33 HA ARG 33 4.695 -4.900 -1.196 270 HB2 ARG 33 HB2 ARG 33 6.484 -4.437 0.539 271 HB3 ARG 33 HB3 ARG 33 5.938 -3.019 -0.358 272 HG2 ARG 33 HG2 ARG 33 4.565 -2.264 1.513 273 HG3 ARG 33 HG3 ARG 33 4.886 -3.758 2.407 274 HD2 ARG 33 HD2 ARG 33 7.071 -1.830 1.571 275 HD3 ARG 33 HD3 ARG 33 6.192 -1.656 3.095 276 HE ARG 33 HE ARG 33 8.023 -3.864 2.305 277 HH11 ARG 33 HH11 ARG 33 6.137 -2.566 4.976 278 HH12 ARG 33 HH12 ARG 33 6.935 -3.648 6.102 279 HH21 ARG 33 HH21 ARG 33 8.951 -5.081 3.743 280 HH22 ARG 33 HH22 ARG 33 8.474 -5.026 5.443 281 H ASP 34 H ASP 34 5.731 -6.766 -0.200 282 HA ASP 34 HA ASP 34 3.987 -8.495 1.359 283 HB2 ASP 34 HB2 ASP 34 5.609 -9.325 -0.299 284 HB3 ASP 34 HB3 ASP 34 6.936 -8.678 0.661 285 H SER 35 H SER 35 3.973 -8.947 3.549 286 HA SER 35 HA SER 35 4.878 -6.771 5.190 287 HB2 SER 35 HB2 SER 35 2.691 -7.903 5.463 288 HB3 SER 35 HB3 SER 35 3.535 -9.357 6.011 289 HG SER 35 HG SER 35 3.478 -6.785 7.260 290 H THR 36 H THR 36 6.367 -6.556 6.719 291 HA THR 36 HA THR 36 8.803 -7.880 6.499 292 HB THR 36 HB THR 36 7.873 -6.381 8.974 293 HG1 THR 36 HG1 THR 36 8.527 -4.542 7.884 294 HG21 THR 36 HG21 THR 36 10.154 -7.370 9.096 295 HG22 THR 36 HG22 THR 36 10.578 -6.571 7.564 296 HG23 THR 36 HG23 THR 36 10.221 -5.604 9.013 297 H SER 37 H SER 37 9.433 -9.840 7.091 298 HA SER 37 HA SER 37 9.511 -11.905 7.991 299 HB2 SER 37 HB2 SER 37 9.031 -10.476 10.621 300 HB3 SER 37 HB3 SER 37 9.779 -12.066 10.406 301 HG SER 37 HG SER 37 11.496 -11.088 9.307 302 H SER 38 H SER 38 6.747 -10.959 7.225 303 HA SER 38 HA SER 38 5.095 -12.949 8.747 304 HB2 SER 38 HB2 SER 38 4.328 -10.120 7.982 305 HB3 SER 38 HB3 SER 38 3.254 -11.330 8.705 306 HG SER 38 HG SER 38 5.549 -10.083 9.826 307 HA PRO 39 HA PRO 39 5.032 -13.502 4.104 308 HB2 PRO 39 HB2 PRO 39 5.016 -16.262 4.048 309 HB3 PRO 39 HB3 PRO 39 6.497 -15.260 4.158 310 HG2 PRO 39 HG2 PRO 39 4.958 -16.562 6.430 311 HG3 PRO 39 HG3 PRO 39 6.725 -16.613 6.116 312 HD2 PRO 39 HD2 PRO 39 5.677 -14.865 7.883 313 HD3 PRO 39 HD3 PRO 39 6.996 -14.350 6.788 314 H GLY 40 H GLY 40 3.290 -13.765 2.823 315 HA2 GLY 40 HA2 GLY 40 1.133 -14.357 2.132 316 HA3 GLY 40 HA3 GLY 40 0.806 -15.089 3.702 317 H ASP 41 H ASP 41 1.904 -12.283 4.807 318 HA ASP 41 HA ASP 41 -0.660 -10.766 4.508 319 HB2 ASP 41 HB2 ASP 41 1.576 -10.463 6.539 320 HB3 ASP 41 HB3 ASP 41 0.160 -9.428 6.408 321 H TYR 42 H TYR 42 -0.518 -8.460 4.198 322 HA TYR 42 HA TYR 42 1.948 -7.504 2.806 323 HB2 TYR 42 HB2 TYR 42 -0.936 -6.963 2.031 324 HB3 TYR 42 HB3 TYR 42 0.487 -6.287 1.253 325 HD1 TYR 42 HD2 TYR 42 2.119 -7.863 0.124 326 HD2 TYR 42 HD1 TYR 42 -1.761 -9.123 1.497 327 HE1 TYR 42 HE2 TYR 42 2.263 -9.885 -1.343 328 HE2 TYR 42 HE1 TYR 42 -1.619 -11.157 0.054 329 HH TYR 42 HH TYR 42 1.224 -11.803 -2.039 330 H VAL 43 H VAL 43 2.001 -5.081 2.650 331 HA VAL 43 HA VAL 43 0.756 -3.677 4.977 332 HB VAL 43 HB VAL 43 3.712 -3.501 4.234 333 HG11 VAL 43 HG11 VAL 43 2.883 -1.310 5.010 334 HG12 VAL 43 HG12 VAL 43 2.111 -2.083 6.415 335 HG13 VAL 43 HG13 VAL 43 3.877 -2.062 6.257 336 HG21 VAL 43 HG21 VAL 43 2.340 -4.593 6.724 337 HG22 VAL 43 HG22 VAL 43 3.141 -5.546 5.461 338 HG23 VAL 43 HG23 VAL 43 4.099 -4.446 6.466 339 H LEU 44 H LEU 44 -0.086 -1.802 4.473 340 HA LEU 44 HA LEU 44 0.377 -0.515 1.829 341 HB2 LEU 44 HB2 LEU 44 -1.956 -0.922 2.468 342 HB3 LEU 44 HB3 LEU 44 -1.707 -0.157 4.015 343 HG LEU 44 HG LEU 44 -1.446 2.025 2.964 344 HD11 LEU 44 HD11 LEU 44 -0.443 1.575 0.831 345 HD12 LEU 44 HD12 LEU 44 -1.834 0.590 0.321 346 HD13 LEU 44 HD13 LEU 44 -2.001 2.344 0.549 347 HD21 LEU 44 HD21 LEU 44 -3.872 0.523 1.876 348 HD22 LEU 44 HD22 LEU 44 -3.715 1.143 3.531 349 HD23 LEU 44 HD23 LEU 44 -3.759 2.270 2.168 350 H SER 45 H SER 45 1.808 1.146 1.796 351 HA SER 45 HA SER 45 2.380 2.602 4.346 352 HB2 SER 45 HB2 SER 45 4.332 2.263 2.066 353 HB3 SER 45 HB3 SER 45 4.620 3.036 3.629 354 HG SER 45 HG SER 45 3.993 0.291 3.156 355 H CYS 46 H CYS 46 2.250 4.838 4.312 356 HA CYS 46 HA CYS 46 1.515 6.173 1.737 357 HB2 CYS 46 HB2 CYS 46 -0.082 6.339 4.328 358 HB3 CYS 46 HB3 CYS 46 -0.409 7.242 2.844 359 HG CYS 46 HG CYS 46 -0.402 3.960 3.285 360 H SER 47 H SER 47 2.234 8.297 1.525 361 HA SER 47 HA SER 47 3.875 9.454 3.643 362 HB2 SER 47 HB2 SER 47 4.119 11.278 1.977 363 HB3 SER 47 HB3 SER 47 4.670 9.696 1.441 364 HG SER 47 HG SER 47 3.322 11.039 -0.045 365 H GLU 48 H GLU 48 2.742 10.100 5.332 366 HA GLU 48 HA GLU 48 0.619 12.174 4.968 367 HB2 GLU 48 HB2 GLU 48 0.335 9.607 6.580 368 HB3 GLU 48 HB3 GLU 48 -0.658 11.026 6.857 369 HG2 GLU 48 HG2 GLU 48 -0.583 9.349 4.334 370 HG3 GLU 48 HG3 GLU 48 -1.896 9.486 5.498 371 H ASN 49 H ASN 49 0.217 13.569 6.682 372 HA ASN 49 HA ASN 49 0.740 14.931 8.391 373 HB2 ASN 49 HB2 ASN 49 -0.222 12.935 9.468 374 HB3 ASN 49 HB3 ASN 49 1.387 12.279 9.729 375 HD21 ASN 49 HD22 ASN 49 -0.498 15.302 10.423 376 HD22 ASN 49 HD21 ASN 49 0.155 15.460 12.045 377 H GLY 50 H GLY 50 2.880 14.655 6.498 378 HA2 GLY 50 HA2 GLY 50 4.990 15.552 6.219 379 HA3 GLY 50 HA3 GLY 50 5.004 15.977 7.932 380 H LYS 51 H LYS 51 4.394 12.664 7.367 381 HA LYS 51 HA LYS 51 7.216 11.743 7.581 382 HB2 LYS 51 HB2 LYS 51 6.612 10.291 9.481 383 HB3 LYS 51 HB3 LYS 51 6.398 11.988 9.880 384 HG2 LYS 51 HG2 LYS 51 3.974 11.814 9.581 385 HG3 LYS 51 HG3 LYS 51 4.124 10.124 9.064 386 HD2 LYS 51 HD2 LYS 51 4.932 9.497 11.298 387 HD3 LYS 51 HD3 LYS 51 4.888 11.204 11.809 388 HE2 LYS 51 HE2 LYS 51 2.453 11.285 11.326 389 HE3 LYS 51 HE3 LYS 51 2.482 9.588 10.835 390 HZ1 LYS 51 HZ1 LYS 51 3.132 9.022 13.124 391 HZ2 LYS 51 HZ2 LYS 51 3.111 10.602 13.557 392 HZ3 LYS 51 HZ3 LYS 51 1.723 9.862 13.121 393 H VAL 52 H VAL 52 6.698 9.072 7.891 394 HA VAL 52 HA VAL 52 4.857 8.290 5.667 395 HB VAL 52 HB VAL 52 7.512 6.948 6.263 396 HG11 VAL 52 HG11 VAL 52 5.869 5.312 5.498 397 HG12 VAL 52 HG12 VAL 52 5.319 6.408 4.213 398 HG13 VAL 52 HG13 VAL 52 6.932 5.680 4.143 399 HG21 VAL 52 HG21 VAL 52 6.593 8.785 4.012 400 HG22 VAL 52 HG22 VAL 52 7.960 9.021 5.115 401 HG23 VAL 52 HG23 VAL 52 8.032 7.749 3.900 402 H THR 53 H THR 53 3.523 6.671 6.046 403 HA THR 53 HA THR 53 3.384 5.540 8.817 404 HB THR 53 HB THR 53 0.953 5.709 8.649 405 HG1 THR 53 HG1 THR 53 1.511 7.132 6.251 406 HG21 THR 53 HG21 THR 53 2.177 7.559 9.726 407 HG22 THR 53 HG22 THR 53 2.286 8.410 8.166 408 HG23 THR 53 HG23 THR 53 0.705 8.120 8.911 409 H HIS 54 H HIS 54 2.292 3.485 9.018 410 HA HIS 54 HA HIS 54 2.222 1.809 6.554 411 HB2 HIS 54 HB2 HIS 54 3.652 1.027 9.115 412 HB3 HIS 54 HB3 HIS 54 3.542 0.092 7.630 413 HD1 HIS 54 HD1 HIS 54 4.973 1.269 5.449 414 HD2 HIS 54 HD2 HIS 54 5.695 2.630 9.371 415 HE1 HIS 54 HE1 HIS 54 7.229 2.442 5.398 416 H TYR 55 H TYR 55 0.672 0.292 6.529 417 HA TYR 55 HA TYR 55 -0.955 -0.285 8.972 418 HB2 TYR 55 HB2 TYR 55 -2.070 0.334 6.214 419 HB3 TYR 55 HB3 TYR 55 -2.969 0.101 7.704 420 HD1 TYR 55 HD2 TYR 55 -2.814 1.869 9.543 421 HD2 TYR 55 HD1 TYR 55 -1.130 2.449 5.612 422 HE1 TYR 55 HE2 TYR 55 -2.649 4.326 9.967 423 HE2 TYR 55 HE1 TYR 55 -0.954 4.889 6.046 424 HH TYR 55 HH TYR 55 -1.180 6.542 7.574 425 H LYS 56 H LYS 56 -1.329 -2.450 9.248 426 HA LYS 56 HA LYS 56 -0.342 -4.396 7.394 427 HB2 LYS 56 HB2 LYS 56 -1.535 -4.327 10.082 428 HB3 LYS 56 HB3 LYS 56 -2.203 -5.652 9.160 429 HG2 LYS 56 HG2 LYS 56 0.762 -5.170 9.645 430 HG3 LYS 56 HG3 LYS 56 -0.285 -6.321 10.470 431 HD2 LYS 56 HD2 LYS 56 -0.739 -7.164 7.931 432 HD3 LYS 56 HD3 LYS 56 0.819 -6.387 7.666 433 HE2 LYS 56 HE2 LYS 56 1.316 -8.636 8.070 434 HE3 LYS 56 HE3 LYS 56 1.762 -7.815 9.558 435 HZ1 LYS 56 HZ1 LYS 56 0.020 -8.842 10.673 436 HZ2 LYS 56 HZ2 LYS 56 -0.967 -8.892 9.368 437 HZ3 LYS 56 HZ3 LYS 56 0.229 -9.988 9.500 438 H LEU 57 H LEU 57 -1.205 -5.450 5.795 439 HA LEU 57 HA LEU 57 -4.167 -5.501 5.317 440 HB2 LEU 57 HB2 LEU 57 -1.777 -5.611 3.449 441 HB3 LEU 57 HB3 LEU 57 -3.369 -6.157 2.938 442 HG LEU 57 HG LEU 57 -2.993 -3.383 4.056 443 HD11 LEU 57 HD11 LEU 57 -1.332 -3.414 2.356 444 HD12 LEU 57 HD12 LEU 57 -2.298 -4.424 1.289 445 HD13 LEU 57 HD13 LEU 57 -2.759 -2.734 1.539 446 HD21 LEU 57 HD21 LEU 57 -4.857 -4.481 1.910 447 HD22 LEU 57 HD22 LEU 57 -5.306 -4.285 3.614 448 HD23 LEU 57 HD23 LEU 57 -4.911 -2.862 2.634 449 H SER 58 H SER 58 -4.179 -7.112 6.949 450 HA SER 58 HA SER 58 -2.499 -9.507 6.818 451 HB2 SER 58 HB2 SER 58 -4.813 -8.700 8.603 452 HB3 SER 58 HB3 SER 58 -3.927 -10.223 8.772 453 HG SER 58 HG SER 58 -3.196 -8.357 10.076 454 H ALA 59 H ALA 59 -3.068 -11.590 6.230 455 HA ALA 59 HA ALA 59 -5.469 -11.909 4.565 456 HB1 ALA 59 HB1 ALA 59 -3.363 -12.850 3.807 457 HB2 ALA 59 HB2 ALA 59 -3.237 -13.838 5.282 458 HB3 ALA 59 HB3 ALA 59 -4.540 -14.142 4.111 459 H GLU 60 H GLU 60 -7.349 -12.703 5.197 460 HA GLU 60 HA GLU 60 -7.625 -14.414 7.632 461 HB2 GLU 60 HB2 GLU 60 -8.016 -12.008 8.201 462 HB3 GLU 60 HB3 GLU 60 -9.309 -11.948 6.999 463 HG2 GLU 60 HG2 GLU 60 -10.479 -13.801 8.257 464 HG3 GLU 60 HG3 GLU 60 -9.207 -13.725 9.479 465 H GLU 61 H GLU 61 -8.408 -16.279 6.805 466 HA GLU 61 HA GLU 61 -9.442 -17.782 5.479 467 HB2 GLU 61 HB2 GLU 61 -11.278 -16.642 6.885 468 HB3 GLU 61 HB3 GLU 61 -11.847 -15.969 5.356 469 HG2 GLU 61 HG2 GLU 61 -12.076 -18.305 4.460 470 HG3 GLU 61 HG3 GLU 61 -11.451 -18.937 5.981 471 H GLY 62 H GLY 62 -7.830 -15.924 4.106 472 HA2 GLY 62 HA2 GLY 62 -7.072 -15.759 1.892 473 HA3 GLY 62 HA3 GLY 62 -8.597 -16.418 1.306 474 H LYS 63 H LYS 63 -9.424 -13.936 3.366 475 HA LYS 63 HA LYS 63 -9.544 -11.839 1.228 476 HB2 LYS 63 HB2 LYS 63 -11.316 -12.297 3.668 477 HB3 LYS 63 HB3 LYS 63 -11.452 -10.945 2.548 478 HG2 LYS 63 HG2 LYS 63 -11.695 -12.669 0.668 479 HG3 LYS 63 HG3 LYS 63 -11.895 -13.888 1.941 480 HD2 LYS 63 HD2 LYS 63 -13.811 -12.495 2.849 481 HD3 LYS 63 HD3 LYS 63 -13.673 -11.462 1.428 482 HE2 LYS 63 HE2 LYS 63 -14.368 -14.427 1.508 483 HE3 LYS 63 HE3 LYS 63 -15.452 -13.096 1.110 484 HZ1 LYS 63 HZ1 LYS 63 -14.052 -12.690 -0.910 485 HZ2 LYS 63 HZ2 LYS 63 -13.137 -13.985 -0.526 486 HZ3 LYS 63 HZ3 LYS 63 -14.708 -14.182 -0.898 487 H ILE 64 H ILE 64 -9.695 -9.550 2.344 488 HA ILE 64 HA ILE 64 -7.065 -9.279 3.746 489 HB ILE 64 HB ILE 64 -8.577 -7.479 1.833 490 HG12 ILE 64 HG12 ILE 64 -7.448 -9.319 0.696 491 HG13 ILE 64 HG13 ILE 64 -6.706 -7.782 0.326 492 HG21 ILE 64 HG21 ILE 64 -7.522 -5.994 3.415 493 HG22 ILE 64 HG22 ILE 64 -5.986 -6.883 3.315 494 HG23 ILE 64 HG23 ILE 64 -6.612 -5.974 1.915 495 HD11 ILE 64 HD11 ILE 64 -4.835 -8.293 1.909 496 HD12 ILE 64 HD12 ILE 64 -5.575 -9.880 2.231 497 HD13 ILE 64 HD13 ILE 64 -4.992 -9.482 0.609 498 H ARG 65 H ARG 65 -7.078 -8.700 5.783 499 HA ARG 65 HA ARG 65 -9.234 -6.930 6.877 500 HB2 ARG 65 HB2 ARG 65 -9.005 -9.146 7.972 501 HB3 ARG 65 HB3 ARG 65 -7.307 -8.818 8.277 502 HG2 ARG 65 HG2 ARG 65 -8.394 -8.425 10.328 503 HG3 ARG 65 HG3 ARG 65 -8.010 -6.836 9.697 504 HD2 ARG 65 HD2 ARG 65 -10.189 -6.663 10.591 505 HD3 ARG 65 HD3 ARG 65 -10.432 -6.724 8.839 506 HE ARG 65 HE ARG 65 -10.548 -9.388 9.823 507 HH11 ARG 65 HH11 ARG 65 -12.543 -6.487 10.346 508 HH12 ARG 65 HH12 ARG 65 -13.947 -7.467 10.626 509 HH21 ARG 65 HH21 ARG 65 -12.402 -10.484 10.059 510 HH22 ARG 65 HH22 ARG 65 -13.876 -9.652 10.503 511 H ILE 66 H ILE 66 -8.714 -4.882 7.289 512 HA ILE 66 HA ILE 66 -5.954 -4.152 8.067 513 HB ILE 66 HB ILE 66 -5.819 -3.760 5.768 514 HG12 ILE 66 HG12 ILE 66 -6.465 -1.020 6.877 515 HG13 ILE 66 HG13 ILE 66 -5.064 -1.920 7.427 516 HG21 ILE 66 HG21 ILE 66 -8.184 -3.796 5.120 517 HG22 ILE 66 HG22 ILE 66 -8.420 -2.200 5.857 518 HG23 ILE 66 HG23 ILE 66 -7.370 -2.404 4.432 519 HD11 ILE 66 HD11 ILE 66 -4.069 -1.893 5.236 520 HD12 ILE 66 HD12 ILE 66 -5.511 -1.146 4.512 521 HD13 ILE 66 HD13 ILE 66 -4.531 -0.246 5.679 522 H ASP 67 H ASP 67 -5.846 -2.844 9.696 523 HA ASP 67 HA ASP 67 -6.445 -1.850 11.613 524 HB2 ASP 67 HB2 ASP 67 -6.770 0.125 10.248 525 HB3 ASP 67 HB3 ASP 67 -8.437 -0.323 9.914 526 H THR 68 H THR 68 -9.768 -1.796 10.477 527 HA THR 68 HA THR 68 -10.505 -4.212 12.057 528 HB THR 68 HB THR 68 -12.643 -3.052 12.712 529 HG1 THR 68 HG1 THR 68 -11.167 -0.689 12.189 530 HG21 THR 68 HG21 THR 68 -10.834 -3.375 14.356 531 HG22 THR 68 HG22 THR 68 -10.122 -1.815 13.893 532 HG23 THR 68 HG23 THR 68 -11.733 -1.876 14.641 533 H HIS 69 H HIS 69 -10.613 -2.591 9.076 534 HA HIS 69 HA HIS 69 -13.280 -3.420 8.224 535 HB2 HIS 69 HB2 HIS 69 -10.973 -2.062 6.771 536 HB3 HIS 69 HB3 HIS 69 -12.586 -2.342 6.111 537 HD1 HIS 69 HD1 HIS 69 -14.553 -0.715 6.987 538 HD2 HIS 69 HD2 HIS 69 -10.700 -0.031 8.539 539 HE1 HIS 69 HE1 HIS 69 -14.639 1.561 8.134 540 H LEU 70 H LEU 70 -13.714 -5.057 6.914 541 HA LEU 70 HA LEU 70 -11.520 -6.810 5.906 542 HB2 LEU 70 HB2 LEU 70 -13.174 -7.814 7.567 543 HB3 LEU 70 HB3 LEU 70 -14.411 -7.602 6.334 544 HG LEU 70 HG LEU 70 -12.906 -9.041 4.791 545 HD11 LEU 70 HD11 LEU 70 -10.827 -8.873 6.229 546 HD12 LEU 70 HD12 LEU 70 -11.655 -9.830 7.462 547 HD13 LEU 70 HD13 LEU 70 -11.312 -10.534 5.869 548 HD21 LEU 70 HD21 LEU 70 -14.060 -10.299 7.313 549 HD22 LEU 70 HD22 LEU 70 -14.961 -9.898 5.833 550 HD23 LEU 70 HD23 LEU 70 -13.703 -11.145 5.789 551 H PHE 71 H PHE 71 -11.276 -7.074 3.799 552 HA PHE 71 HA PHE 71 -13.371 -6.222 1.847 553 HB2 PHE 71 HB2 PHE 71 -10.377 -5.711 1.647 554 HB3 PHE 71 HB3 PHE 71 -11.588 -5.323 0.436 555 HD1 PHE 71 HD2 PHE 71 -13.474 -3.647 1.115 556 HD2 PHE 71 HD1 PHE 71 -9.825 -4.166 3.355 557 HE1 PHE 71 HE2 PHE 71 -13.862 -1.477 2.259 558 HE2 PHE 71 HE1 PHE 71 -10.189 -1.962 4.446 559 HZ PHE 71 HZ PHE 71 -12.224 -0.646 3.939 560 H ASP 72 H ASP 72 -13.305 -7.317 -0.176 561 HA ASP 72 HA ASP 72 -12.633 -10.073 -0.006 562 HB2 ASP 72 HB2 ASP 72 -14.453 -9.195 -1.385 563 HB3 ASP 72 HB3 ASP 72 -13.307 -8.302 -2.386 564 H ASN 73 H ASN 73 -10.839 -7.362 -1.364 565 HA ASN 73 HA ASN 73 -8.401 -8.944 -1.730 566 HB2 ASN 73 HB2 ASN 73 -8.244 -8.381 -4.160 567 HB3 ASN 73 HB3 ASN 73 -9.587 -9.460 -3.802 568 HD21 ASN 73 HD22 ASN 73 -11.701 -8.798 -4.378 569 HD22 ASN 73 HD21 ASN 73 -11.997 -7.205 -5.076 570 H LEU 74 H LEU 74 -6.646 -7.517 -2.719 571 HA LEU 74 HA LEU 74 -6.241 -5.262 -1.033 572 HB2 LEU 74 HB2 LEU 74 -4.835 -6.198 -3.564 573 HB3 LEU 74 HB3 LEU 74 -4.274 -4.862 -2.564 574 HG LEU 74 HG LEU 74 -4.510 -7.761 -1.672 575 HD11 LEU 74 HD11 LEU 74 -2.643 -7.309 -3.225 576 HD12 LEU 74 HD12 LEU 74 -2.103 -5.976 -2.180 577 HD13 LEU 74 HD13 LEU 74 -2.053 -7.648 -1.585 578 HD21 LEU 74 HD21 LEU 74 -3.570 -5.255 -0.235 579 HD22 LEU 74 HD22 LEU 74 -4.872 -6.342 0.274 580 HD23 LEU 74 HD23 LEU 74 -3.201 -6.903 0.337 581 H ASP 75 H ASP 75 -7.243 -5.357 -4.489 582 HA ASP 75 HA ASP 75 -7.007 -2.536 -4.920 583 HB2 ASP 75 HB2 ASP 75 -7.077 -4.243 -6.707 584 HB3 ASP 75 HB3 ASP 75 -8.758 -4.595 -6.317 585 H ALA 76 H ALA 76 -9.744 -4.510 -3.738 586 HA ALA 76 HA ALA 76 -11.646 -2.372 -3.554 587 HB1 ALA 76 HB1 ALA 76 -12.268 -4.747 -3.490 588 HB2 ALA 76 HB2 ALA 76 -11.393 -4.957 -1.957 589 HB3 ALA 76 HB3 ALA 76 -12.829 -3.916 -2.026 590 H ALA 77 H ALA 77 -9.151 -3.510 -1.226 591 HA ALA 77 HA ALA 77 -9.937 -1.743 0.906 592 HB1 ALA 77 HB1 ALA 77 -8.545 -3.802 1.166 593 HB2 ALA 77 HB2 ALA 77 -7.211 -2.986 0.327 594 HB3 ALA 77 HB3 ALA 77 -7.792 -2.362 1.881 595 H ILE 78 H ILE 78 -7.466 -1.401 -1.691 596 HA ILE 78 HA ILE 78 -6.588 1.247 -1.045 597 HB ILE 78 HB ILE 78 -6.770 -0.256 -3.685 598 HG12 ILE 78 HG12 ILE 78 -5.244 -1.351 -2.165 599 HG13 ILE 78 HG13 ILE 78 -4.347 -0.586 -3.453 600 HG21 ILE 78 HG21 ILE 78 -6.680 2.090 -4.276 601 HG22 ILE 78 HG22 ILE 78 -5.324 2.362 -3.166 602 HG23 ILE 78 HG23 ILE 78 -5.115 1.345 -4.599 603 HD11 ILE 78 HD11 ILE 78 -3.739 1.269 -1.865 604 HD12 ILE 78 HD12 ILE 78 -4.599 0.390 -0.577 605 HD13 ILE 78 HD13 ILE 78 -3.191 -0.335 -1.360 606 H THR 79 H THR 79 -9.154 0.201 -3.264 607 HA THR 79 HA THR 79 -10.114 2.758 -4.019 608 HB THR 79 HB THR 79 -11.722 0.182 -3.783 609 HG1 THR 79 HG1 THR 79 -10.062 -0.143 -5.154 610 HG21 THR 79 HG21 THR 79 -13.246 2.077 -4.101 611 HG22 THR 79 HG22 THR 79 -12.219 2.722 -5.401 612 HG23 THR 79 HG23 THR 79 -13.091 1.187 -5.619 613 H PHE 80 H PHE 80 -11.202 0.730 -1.217 614 HA PHE 80 HA PHE 80 -13.192 2.535 -0.287 615 HB2 PHE 80 HB2 PHE 80 -12.922 0.245 0.541 616 HB3 PHE 80 HB3 PHE 80 -11.378 0.661 1.276 617 HD1 PHE 80 HD1 PHE 80 -15.057 1.076 1.498 618 HD2 PHE 80 HD2 PHE 80 -11.266 2.004 3.333 619 HE1 PHE 80 HE1 PHE 80 -16.232 1.814 3.559 620 HE2 PHE 80 HE2 PHE 80 -12.444 2.741 5.392 621 HZ PHE 80 HZ PHE 80 -14.928 2.652 5.506 622 H TYR 81 H TYR 81 -9.659 2.448 0.463 623 HA TYR 81 HA TYR 81 -9.873 4.898 2.012 624 HB2 TYR 81 HB2 TYR 81 -7.466 3.290 1.167 625 HB3 TYR 81 HB3 TYR 81 -7.410 4.711 2.209 626 HD1 TYR 81 HD2 TYR 81 -9.452 4.563 4.143 627 HD2 TYR 81 HD1 TYR 81 -7.180 1.317 2.425 628 HE1 TYR 81 HE2 TYR 81 -9.859 3.195 6.180 629 HE2 TYR 81 HE1 TYR 81 -7.592 -0.038 4.465 630 HH TYR 81 HH TYR 81 -8.544 -0.110 6.553 631 H MET 82 H MET 82 -10.128 4.627 -1.231 632 HA MET 82 HA MET 82 -8.928 7.323 -1.745 633 HB2 MET 82 HB2 MET 82 -10.210 5.266 -3.585 634 HB3 MET 82 HB3 MET 82 -9.847 6.919 -4.073 635 HG2 MET 82 HG2 MET 82 -7.494 6.621 -3.627 636 HG3 MET 82 HG3 MET 82 -7.767 4.992 -3.001 637 HE1 MET 82 HE1 MET 82 -5.684 6.018 -5.357 638 HE2 MET 82 HE2 MET 82 -5.715 4.427 -4.566 639 HE3 MET 82 HE3 MET 82 -5.740 4.538 -6.342 640 H GLU 83 H GLU 83 -12.043 5.586 -1.525 641 HA GLU 83 HA GLU 83 -13.687 7.964 -1.919 642 HB2 GLU 83 HB2 GLU 83 -14.272 5.177 -0.841 643 HB3 GLU 83 HB3 GLU 83 -15.505 6.408 -1.095 644 HG2 GLU 83 HG2 GLU 83 -13.723 5.272 -3.299 645 HG3 GLU 83 HG3 GLU 83 -15.350 4.725 -2.931 646 H HIS 84 H HIS 84 -12.266 6.385 0.892 647 HA HIS 84 HA HIS 84 -13.393 8.473 2.711 648 HB2 HIS 84 HB2 HIS 84 -12.916 5.535 3.348 649 HB3 HIS 84 HB3 HIS 84 -13.580 6.750 4.434 650 HD1 HIS 84 HD1 HIS 84 -16.130 7.699 3.676 651 HD2 HIS 84 HD2 HIS 84 -14.605 4.269 1.777 652 HE1 HIS 84 HE1 HIS 84 -18.111 6.579 2.529 653 H GLU 85 H GLU 85 -12.075 8.875 4.657 654 HA GLU 85 HA GLU 85 -9.212 8.971 4.069 655 HB2 GLU 85 HB2 GLU 85 -10.793 9.756 6.540 656 HB3 GLU 85 HB3 GLU 85 -9.056 10.021 6.321 657 HG2 GLU 85 HG2 GLU 85 -9.462 11.455 4.380 658 HG3 GLU 85 HG3 GLU 85 -11.199 11.164 4.473 659 H LEU 86 H LEU 86 -7.539 7.879 5.037 660 HA LEU 86 HA LEU 86 -8.152 5.221 6.130 661 HB2 LEU 86 HB2 LEU 86 -6.458 5.840 4.305 662 HB3 LEU 86 HB3 LEU 86 -5.432 6.476 5.574 663 HG LEU 86 HG LEU 86 -6.407 3.604 5.300 664 HD11 LEU 86 HD11 LEU 86 -4.754 4.260 3.610 665 HD12 LEU 86 HD12 LEU 86 -3.667 4.864 4.881 666 HD13 LEU 86 HD13 LEU 86 -4.039 3.134 4.772 667 HD21 LEU 86 HD21 LEU 86 -4.548 4.828 7.360 668 HD22 LEU 86 HD22 LEU 86 -6.064 3.935 7.651 669 HD23 LEU 86 HD23 LEU 86 -4.662 3.084 7.029 670 H GLU 87 H GLU 87 -5.977 7.834 7.100 671 HA GLU 87 HA GLU 87 -6.846 7.639 9.940 672 HB2 GLU 87 HB2 GLU 87 -4.890 6.131 9.732 673 HB3 GLU 87 HB3 GLU 87 -3.943 7.447 9.046 674 HG2 GLU 87 HG2 GLU 87 -3.308 7.208 11.331 675 HG3 GLU 87 HG3 GLU 87 -4.195 8.717 11.196 676 H TYR 88 H TYR 88 -4.178 9.334 8.237 677 HA TYR 88 HA TYR 88 -5.090 11.927 9.294 678 HB2 TYR 88 HB2 TYR 88 -2.724 11.144 7.578 679 HB3 TYR 88 HB3 TYR 88 -2.986 12.735 8.275 680 HD1 TYR 88 HD1 TYR 88 -3.133 12.946 10.842 681 HD2 TYR 88 HD2 TYR 88 -1.545 9.471 8.832 682 HE1 TYR 88 HE1 TYR 88 -1.871 12.332 12.899 683 HE2 TYR 88 HE2 TYR 88 -0.301 8.851 10.901 684 HH TYR 88 HH TYR 88 -0.464 10.827 13.883 685 H SER 89 H SER 89 -5.001 10.277 6.147 686 HA SER 89 HA SER 89 -6.926 12.161 5.017 687 HB2 SER 89 HB2 SER 89 -4.510 13.107 4.637 688 HB3 SER 89 HB3 SER 89 -4.339 11.762 3.499 689 HG SER 89 HG SER 89 -5.140 13.785 2.582 690 H SER 90 H SER 90 -7.066 11.477 2.490 691 HA SER 90 HA SER 90 -7.438 8.525 2.317 692 HB2 SER 90 HB2 SER 90 -8.722 9.062 0.260 693 HB3 SER 90 HB3 SER 90 -9.399 9.778 1.731 694 HG SER 90 HG SER 90 -9.319 11.267 -0.027 695 H LEU 91 H LEU 91 -6.811 7.468 0.313 696 HA LEU 91 HA LEU 91 -4.056 7.919 -0.459 697 HB2 LEU 91 HB2 LEU 91 -6.216 6.198 -1.739 698 HB3 LEU 91 HB3 LEU 91 -4.494 6.077 -2.040 699 HG LEU 91 HG LEU 91 -5.967 5.368 0.520 700 HD11 LEU 91 HD11 LEU 91 -6.136 3.749 -1.378 701 HD12 LEU 91 HD12 LEU 91 -4.368 3.658 -1.423 702 HD13 LEU 91 HD13 LEU 91 -5.259 3.087 0.002 703 HD21 LEU 91 HD21 LEU 91 -2.991 5.265 -0.038 704 HD22 LEU 91 HD22 LEU 91 -3.804 6.282 1.172 705 HD23 LEU 91 HD23 LEU 91 -3.798 4.526 1.354 706 H LYS 92 H LYS 92 -3.207 8.990 -2.219 707 HA LYS 92 HA LYS 92 -5.135 10.301 -4.121 708 HB2 LYS 92 HB2 LYS 92 -2.326 11.229 -3.435 709 HB3 LYS 92 HB3 LYS 92 -3.511 12.037 -4.458 710 HG2 LYS 92 HG2 LYS 92 -5.037 12.310 -2.485 711 HG3 LYS 92 HG3 LYS 92 -3.801 11.556 -1.463 712 HD2 LYS 92 HD2 LYS 92 -2.205 13.382 -2.438 713 HD3 LYS 92 HD3 LYS 92 -3.681 14.222 -2.918 714 HE2 LYS 92 HE2 LYS 92 -4.431 14.374 -0.608 715 HE3 LYS 92 HE3 LYS 92 -3.180 13.243 -0.074 716 HZ1 LYS 92 HZ1 LYS 92 -1.507 14.875 -0.771 717 HZ2 LYS 92 HZ2 LYS 92 -2.680 15.975 -1.113 718 HZ3 LYS 92 HZ3 LYS 92 -2.453 15.467 0.434 719 H GLN 93 H GLN 93 -1.861 8.801 -4.085 720 HA GLN 93 HA GLN 93 -2.310 7.893 -6.857 721 HB2 GLN 93 HB2 GLN 93 -0.317 8.991 -7.730 722 HB3 GLN 93 HB3 GLN 93 -1.477 10.172 -7.123 723 HG2 GLN 93 HG2 GLN 93 -0.122 10.369 -5.007 724 HG3 GLN 93 HG3 GLN 93 1.047 9.234 -5.685 725 HE21 GLN 93 HE22 GLN 93 2.344 11.253 -5.028 726 HE22 GLN 93 HE21 GLN 93 2.600 12.414 -6.342 727 HA PRO 94 HA PRO 94 0.394 4.591 -5.484 728 HB2 PRO 94 HB2 PRO 94 0.968 3.351 -7.828 729 HB3 PRO 94 HB3 PRO 94 -0.684 3.346 -7.141 730 HG2 PRO 94 HG2 PRO 94 0.388 5.191 -9.286 731 HG3 PRO 94 HG3 PRO 94 -1.121 4.220 -9.300 732 HD2 PRO 94 HD2 PRO 94 -1.088 6.849 -8.556 733 HD3 PRO 94 HD3 PRO 94 -2.184 5.665 -7.782 734 H LEU 95 H LEU 95 2.588 4.409 -5.099 735 HA LEU 95 HA LEU 95 4.498 6.300 -6.064 736 HB2 LEU 95 HB2 LEU 95 4.801 5.059 -3.965 737 HB3 LEU 95 HB3 LEU 95 4.850 3.536 -4.850 738 HG LEU 95 HG LEU 95 6.957 4.259 -5.980 739 HD11 LEU 95 HD11 LEU 95 6.705 6.740 -5.816 740 HD12 LEU 95 HD12 LEU 95 6.830 6.614 -4.050 741 HD13 LEU 95 HD13 LEU 95 8.211 6.192 -5.082 742 HD21 LEU 95 HD21 LEU 95 7.186 4.481 -2.970 743 HD22 LEU 95 HD22 LEU 95 6.990 2.948 -3.857 744 HD23 LEU 95 HD23 LEU 95 8.427 3.943 -4.120 745 H GLN 96 H GLN 96 5.988 6.232 -7.724 746 HA GLN 96 HA GLN 96 5.313 4.497 -10.000 747 HB2 GLN 96 HB2 GLN 96 7.282 6.800 -9.778 748 HB3 GLN 96 HB3 GLN 96 6.786 5.992 -11.267 749 HG2 GLN 96 HG2 GLN 96 4.981 7.639 -9.427 750 HG3 GLN 96 HG3 GLN 96 5.610 8.129 -10.989 751 HE21 GLN 96 HE22 GLN 96 2.959 6.466 -9.404 752 HE22 GLN 96 HE21 GLN 96 2.219 5.924 -10.901 753 H ARG 97 H ARG 97 6.814 3.263 -11.184 754 HA ARG 97 HA ARG 97 9.264 2.316 -9.797 755 HB2 ARG 97 HB2 ARG 97 8.591 0.004 -9.920 756 HB3 ARG 97 HB3 ARG 97 7.401 0.914 -8.991 757 HG2 ARG 97 HG2 ARG 97 5.927 0.997 -11.033 758 HG3 ARG 97 HG3 ARG 97 7.117 -0.008 -11.883 759 HD2 ARG 97 HD2 ARG 97 6.786 -1.793 -10.166 760 HD3 ARG 97 HD3 ARG 97 5.554 -0.777 -9.389 761 HE ARG 97 HE ARG 97 5.197 -1.358 -12.267 762 HH11 ARG 97 HH11 ARG 97 4.198 -2.368 -9.032 763 HH12 ARG 97 HH12 ARG 97 2.632 -2.847 -9.616 764 HH21 ARG 97 HH21 ARG 97 3.267 -2.170 -12.915 765 HH22 ARG 97 HH22 ARG 97 2.199 -2.942 -11.775 Start of MODEL 17 1 H1 GLY -6 H1 GLY -6 8.917 -0.238 -39.334 2 H2 GLY -6 H2 GLY -6 8.544 -1.346 -38.188 3 H3 GLY -6 H3 GLY -6 7.851 -1.438 -39.670 4 HA2 GLY -6 HA2 GLY -6 6.663 0.618 -39.332 5 HA3 GLY -6 HA3 GLY -6 6.272 -0.570 -38.077 6 H SER -5 H SER -5 5.624 1.232 -36.742 7 HA SER -5 HA SER -5 7.373 3.347 -35.952 8 HB2 SER -5 HB2 SER -5 4.960 2.207 -34.493 9 HB3 SER -5 HB3 SER -5 5.710 3.791 -34.214 10 HG SER -5 HG SER -5 3.886 3.926 -35.611 11 H SER -4 H SER -4 8.451 3.764 -34.002 12 HA SER -4 HA SER -4 9.921 1.527 -32.944 13 HB2 SER -4 HB2 SER -4 9.949 4.429 -32.052 14 HB3 SER -4 HB3 SER -4 11.206 3.219 -31.754 15 HG SER -4 HG SER -4 11.594 3.127 -33.993 16 H GLY -3 H GLY -3 6.977 2.883 -31.825 17 HA2 GLY -3 HA2 GLY -3 7.312 2.676 -28.984 18 HA3 GLY -3 HA3 GLY -3 5.780 2.733 -29.850 19 H SER -2 H SER -2 6.555 1.155 -27.506 20 HA SER -2 HA SER -2 5.543 -1.471 -28.346 21 HB2 SER -2 HB2 SER -2 8.059 -1.601 -28.551 22 HB3 SER -2 HB3 SER -2 8.166 -1.275 -26.812 23 HG SER -2 HG SER -2 8.181 -3.535 -27.336 24 H SER -1 H SER -1 4.938 -2.806 -26.513 25 HA SER -1 HA SER -1 3.657 -3.167 -24.687 26 HB2 SER -1 HB2 SER -1 5.957 -2.799 -23.700 27 HB3 SER -1 HB3 SER -1 5.400 -1.189 -23.204 28 HG SER -1 HG SER -1 5.120 -2.862 -21.593 29 H GLY 0 H GLY 0 2.682 -1.802 -22.597 30 HA2 GLY 0 HA2 GLY 0 1.615 0.521 -22.316 31 HA3 GLY 0 HA3 GLY 0 0.767 0.163 -23.821 32 H MET 1 H MET 1 0.711 -2.795 -22.574 33 HA MET 1 HA MET 1 -1.931 -2.400 -21.269 34 HB2 MET 1 HB2 MET 1 -0.626 -4.867 -22.468 35 HB3 MET 1 HB3 MET 1 -2.218 -4.834 -21.697 36 HG2 MET 1 HG2 MET 1 -1.427 -3.242 -24.167 37 HG3 MET 1 HG3 MET 1 -2.345 -4.744 -24.156 38 HE1 MET 1 HE1 MET 1 -3.265 -2.119 -25.685 39 HE2 MET 1 HE2 MET 1 -4.182 -3.645 -25.684 40 HE3 MET 1 HE3 MET 1 -5.001 -2.115 -25.305 41 H ALA 2 H ALA 2 -2.410 -2.981 -19.242 42 HA ALA 2 HA ALA 2 -0.236 -3.733 -17.396 43 HB1 ALA 2 HB1 ALA 2 -1.663 -1.811 -16.875 44 HB2 ALA 2 HB2 ALA 2 -3.108 -2.850 -16.902 45 HB3 ALA 2 HB3 ALA 2 -1.854 -3.093 -15.665 46 H GLU 3 H GLU 3 -0.191 -5.879 -18.622 47 HA GLU 3 HA GLU 3 -2.402 -7.693 -18.356 48 HB2 GLU 3 HB2 GLU 3 0.486 -8.220 -19.156 49 HB3 GLU 3 HB3 GLU 3 -0.854 -9.353 -19.356 50 HG2 GLU 3 HG2 GLU 3 -2.022 -7.661 -20.803 51 HG3 GLU 3 HG3 GLU 3 -0.582 -6.644 -20.713 52 H ALA 4 H ALA 4 -0.051 -6.949 -16.061 53 HA ALA 4 HA ALA 4 -0.984 -9.097 -14.292 54 HB1 ALA 4 HB1 ALA 4 0.936 -10.162 -15.423 55 HB2 ALA 4 HB2 ALA 4 1.978 -8.795 -14.965 56 HB3 ALA 4 HB3 ALA 4 1.298 -9.859 -13.714 57 H ALA 5 H ALA 5 -0.817 -8.660 -12.164 58 HA ALA 5 HA ALA 5 -0.855 -7.528 -10.256 59 HB1 ALA 5 HB1 ALA 5 1.562 -7.906 -10.474 60 HB2 ALA 5 HB2 ALA 5 1.750 -6.302 -11.215 61 HB3 ALA 5 HB3 ALA 5 1.199 -6.450 -9.535 62 H ALA 6 H ALA 6 -0.856 -5.469 -9.036 63 HA ALA 6 HA ALA 6 -2.277 -3.311 -10.493 64 HB1 ALA 6 HB1 ALA 6 -3.275 -4.281 -8.442 65 HB2 ALA 6 HB2 ALA 6 -1.844 -3.767 -7.516 66 HB3 ALA 6 HB3 ALA 6 -2.904 -2.561 -8.277 67 HA PRO 7 HA PRO 7 1.314 -0.867 -10.816 68 HB2 PRO 7 HB2 PRO 7 0.451 1.737 -10.633 69 HB3 PRO 7 HB3 PRO 7 0.067 0.649 -12.001 70 HG2 PRO 7 HG2 PRO 7 -1.644 1.243 -9.565 71 HG3 PRO 7 HG3 PRO 7 -2.127 1.286 -11.292 72 HD2 PRO 7 HD2 PRO 7 -2.631 -0.882 -9.761 73 HD3 PRO 7 HD3 PRO 7 -2.088 -1.080 -11.455 74 H TRP 8 H TRP 8 -0.514 -0.282 -7.855 75 HA TRP 8 HA TRP 8 1.630 1.124 -6.464 76 HB2 TRP 8 HB2 TRP 8 -0.074 0.613 -4.498 77 HB3 TRP 8 HB3 TRP 8 -0.350 1.858 -5.670 78 HD1 TRP 8 HD1 TRP 8 -2.470 1.720 -7.146 79 HE1 TRP 8 HE1 TRP 8 -4.478 0.129 -7.312 80 HE3 TRP 8 HE3 TRP 8 -0.720 -2.100 -4.236 81 HZ2 TRP 8 HZ2 TRP 8 -5.253 -2.427 -6.263 82 HZ3 TRP 8 HZ3 TRP 8 -2.136 -4.103 -3.802 83 HH2 TRP 8 HH2 TRP 8 -4.390 -4.286 -4.834 84 H TYR 9 H TYR 9 1.410 -2.163 -7.196 85 HA TYR 9 HA TYR 9 2.388 -3.102 -4.594 86 HB2 TYR 9 HB2 TYR 9 0.840 -4.434 -5.992 87 HB3 TYR 9 HB3 TYR 9 2.103 -4.599 -7.208 88 HD1 TYR 9 HD2 TYR 9 1.517 -5.123 -3.517 89 HD2 TYR 9 HD1 TYR 9 3.501 -6.516 -7.090 90 HE1 TYR 9 HE2 TYR 9 2.349 -7.121 -2.282 91 HE2 TYR 9 HE1 TYR 9 4.293 -8.526 -5.863 92 HH TYR 9 HH TYR 9 4.291 -9.675 -3.880 93 H HIS 10 H HIS 10 4.397 -3.462 -3.998 94 HA HIS 10 HA HIS 10 6.653 -3.169 -5.955 95 HB2 HIS 10 HB2 HIS 10 6.265 -2.002 -3.189 96 HB3 HIS 10 HB3 HIS 10 7.869 -2.202 -3.886 97 HD1 HIS 10 HD1 HIS 10 8.692 -0.358 -5.517 98 HD2 HIS 10 HD2 HIS 10 4.555 -0.352 -4.788 99 HE1 HIS 10 HE1 HIS 10 7.767 1.727 -6.660 100 H GLY 11 H GLY 11 5.250 -5.629 -4.367 101 HA2 GLY 11 HA2 GLY 11 6.049 -7.755 -3.822 102 HA3 GLY 11 HA3 GLY 11 7.592 -7.268 -4.495 103 HA PRO 12 HA PRO 12 8.247 -7.774 0.058 104 HB2 PRO 12 HB2 PRO 12 10.543 -9.207 0.060 105 HB3 PRO 12 HB3 PRO 12 8.981 -9.927 -0.414 106 HG2 PRO 12 HG2 PRO 12 11.111 -8.788 -2.258 107 HG3 PRO 12 HG3 PRO 12 10.328 -10.399 -2.343 108 HD2 PRO 12 HD2 PRO 12 9.456 -8.259 -3.810 109 HD3 PRO 12 HD3 PRO 12 8.322 -9.484 -3.166 110 H LEU 13 H LEU 13 8.419 -5.330 -0.731 111 HA LEU 13 HA LEU 13 11.077 -4.161 -0.614 112 HB2 LEU 13 HB2 LEU 13 8.949 -3.224 -1.762 113 HB3 LEU 13 HB3 LEU 13 8.427 -2.758 -0.147 114 HG LEU 13 HG LEU 13 10.544 -1.383 0.068 115 HD11 LEU 13 HD11 LEU 13 11.958 -2.403 -1.650 116 HD12 LEU 13 HD12 LEU 13 10.739 -2.076 -2.902 117 HD13 LEU 13 HD13 LEU 13 11.610 -0.740 -2.138 118 HD21 LEU 13 HD21 LEU 13 8.707 -0.663 -2.252 119 HD22 LEU 13 HD22 LEU 13 8.340 -0.404 -0.535 120 HD23 LEU 13 HD23 LEU 13 9.691 0.458 -1.288 121 H SER 14 H SER 14 12.170 -3.344 1.142 122 HA SER 14 HA SER 14 11.230 -3.973 3.847 123 HB2 SER 14 HB2 SER 14 13.747 -2.580 2.868 124 HB3 SER 14 HB3 SER 14 13.419 -3.054 4.545 125 HG SER 14 HG SER 14 14.671 -4.623 3.397 126 H ARG 15 H ARG 15 11.114 -2.434 5.590 127 HA ARG 15 HA ARG 15 9.503 -0.143 5.190 128 HB2 ARG 15 HB2 ARG 15 11.350 -1.056 7.419 129 HB3 ARG 15 HB3 ARG 15 10.755 0.596 7.427 130 HG2 ARG 15 HG2 ARG 15 8.386 -0.325 7.204 131 HG3 ARG 15 HG3 ARG 15 9.088 -1.933 7.477 132 HD2 ARG 15 HD2 ARG 15 8.277 -1.034 9.594 133 HD3 ARG 15 HD3 ARG 15 10.056 -1.089 9.626 134 HE ARG 15 HE ARG 15 9.539 1.470 8.724 135 HH11 ARG 15 HH11 ARG 15 8.438 -0.144 11.649 136 HH12 ARG 15 HH12 ARG 15 8.401 1.362 12.525 137 HH21 ARG 15 HH21 ARG 15 9.565 3.186 9.815 138 HH22 ARG 15 HH22 ARG 15 9.024 3.275 11.494 139 H THR 16 H THR 16 13.042 -0.088 5.786 140 HA THR 16 HA THR 16 13.358 2.650 5.557 141 HB THR 16 HB THR 16 15.459 0.694 4.564 142 HG1 THR 16 HG1 THR 16 16.005 0.458 6.744 143 HG21 THR 16 HG21 THR 16 16.107 3.052 4.413 144 HG22 THR 16 HG22 THR 16 15.563 3.344 6.081 145 HG23 THR 16 HG23 THR 16 16.975 2.306 5.759 146 H ASP 17 H ASP 17 13.264 0.345 2.839 147 HA ASP 17 HA ASP 17 13.933 2.289 0.781 148 HB2 ASP 17 HB2 ASP 17 12.673 -0.477 0.768 149 HB3 ASP 17 HB3 ASP 17 12.890 0.468 -0.693 150 H ALA 18 H ALA 18 10.831 0.986 2.066 151 HA ALA 18 HA ALA 18 9.112 2.501 0.346 152 HB1 ALA 18 HB1 ALA 18 8.374 0.539 1.668 153 HB2 ALA 18 HB2 ALA 18 8.660 1.429 3.175 154 HB3 ALA 18 HB3 ALA 18 7.395 1.970 2.063 155 H GLU 19 H GLU 19 10.455 3.235 3.588 156 HA GLU 19 HA GLU 19 9.167 5.773 3.885 157 HB2 GLU 19 HB2 GLU 19 11.619 4.589 5.237 158 HB3 GLU 19 HB3 GLU 19 10.892 6.141 5.674 159 HG2 GLU 19 HG2 GLU 19 8.726 4.997 6.133 160 HG3 GLU 19 HG3 GLU 19 9.473 3.450 5.767 161 H ASN 20 H ASN 20 12.469 5.001 2.614 162 HA ASN 20 HA ASN 20 13.116 7.794 2.193 163 HB2 ASN 20 HB2 ASN 20 14.257 5.173 1.180 164 HB3 ASN 20 HB3 ASN 20 14.759 6.700 0.463 165 HD21 ASN 20 HD22 ASN 20 14.737 4.871 3.499 166 HD22 ASN 20 HD21 ASN 20 15.989 5.859 4.263 167 H SER 21 H SER 21 11.438 5.401 0.137 168 HA SER 21 HA SER 21 11.294 7.068 -2.209 169 HB2 SER 21 HB2 SER 21 9.372 4.885 -1.297 170 HB3 SER 21 HB3 SER 21 9.469 5.603 -2.913 171 HG SER 21 HG SER 21 11.384 3.992 -1.568 172 H LEU 22 H LEU 22 8.920 6.552 0.462 173 HA LEU 22 HA LEU 22 7.097 8.520 -0.640 174 HB2 LEU 22 HB2 LEU 22 7.164 6.629 1.645 175 HB3 LEU 22 HB3 LEU 22 6.191 8.050 1.877 176 HG LEU 22 HG LEU 22 4.810 7.580 -0.016 177 HD11 LEU 22 HD11 LEU 22 6.295 6.611 -1.674 178 HD12 LEU 22 HD12 LEU 22 6.656 5.236 -0.602 179 HD13 LEU 22 HD13 LEU 22 5.030 5.430 -1.304 180 HD21 LEU 22 HD21 LEU 22 5.311 4.985 1.500 181 HD22 LEU 22 HD22 LEU 22 4.525 6.411 2.197 182 HD23 LEU 22 HD23 LEU 22 3.777 5.581 0.814 183 H LEU 23 H LEU 23 9.717 8.813 1.728 184 HA LEU 23 HA LEU 23 8.928 11.450 2.618 185 HB2 LEU 23 HB2 LEU 23 10.455 9.941 3.852 186 HB3 LEU 23 HB3 LEU 23 11.640 10.071 2.550 187 HG LEU 23 HG LEU 23 11.919 12.492 3.050 188 HD11 LEU 23 HD11 LEU 23 9.717 13.043 4.004 189 HD12 LEU 23 HD12 LEU 23 10.003 11.929 5.362 190 HD13 LEU 23 HD13 LEU 23 10.987 13.397 5.176 191 HD21 LEU 23 HD21 LEU 23 12.214 10.674 5.475 192 HD22 LEU 23 HD22 LEU 23 13.361 10.807 4.124 193 HD23 LEU 23 HD23 LEU 23 13.088 12.196 5.186 194 H ARG 24 H ARG 24 10.688 10.280 -0.212 195 HA ARG 24 HA ARG 24 11.469 12.954 -1.122 196 HB2 ARG 24 HB2 ARG 24 12.719 10.842 -1.621 197 HB3 ARG 24 HB3 ARG 24 11.371 10.299 -2.624 198 HG2 ARG 24 HG2 ARG 24 11.692 12.238 -4.131 199 HG3 ARG 24 HG3 ARG 24 13.015 12.830 -3.115 200 HD2 ARG 24 HD2 ARG 24 12.962 10.144 -4.558 201 HD3 ARG 24 HD3 ARG 24 13.756 11.608 -5.168 202 HE ARG 24 HE ARG 24 14.815 11.197 -2.608 203 HH11 ARG 24 HH11 ARG 24 14.860 9.416 -5.624 204 HH12 ARG 24 HH12 ARG 24 16.381 8.648 -5.255 205 HH21 ARG 24 HH21 ARG 24 16.748 10.181 -2.197 206 HH22 ARG 24 HH22 ARG 24 17.418 9.081 -3.364 207 H MET 25 H MET 25 8.744 10.801 -1.656 208 HA MET 25 HA MET 25 7.521 12.388 -3.769 209 HB2 MET 25 HB2 MET 25 6.591 10.056 -2.060 210 HB3 MET 25 HB3 MET 25 5.553 10.803 -3.251 211 HG2 MET 25 HG2 MET 25 8.261 9.627 -3.849 212 HG3 MET 25 HG3 MET 25 6.750 8.789 -4.095 213 HE1 MET 25 HE1 MET 25 5.283 8.960 -6.216 214 HE2 MET 25 HE2 MET 25 4.729 10.488 -5.497 215 HE3 MET 25 HE3 MET 25 5.187 10.427 -7.213 216 HA PRO 26 HA PRO 26 4.956 15.101 -1.282 217 HB2 PRO 26 HB2 PRO 26 2.700 15.388 -2.778 218 HB3 PRO 26 HB3 PRO 26 4.289 16.040 -3.294 219 HG2 PRO 26 HG2 PRO 26 3.003 13.430 -4.085 220 HG3 PRO 26 HG3 PRO 26 3.691 14.682 -5.175 221 HD2 PRO 26 HD2 PRO 26 5.108 12.498 -4.436 222 HD3 PRO 26 HD3 PRO 26 5.916 14.074 -4.591 223 H GLU 27 H GLU 27 2.827 15.246 -0.211 224 HA GLU 27 HA GLU 27 2.121 12.903 1.244 225 HB2 GLU 27 HB2 GLU 27 1.991 15.234 2.030 226 HB3 GLU 27 HB3 GLU 27 0.644 15.551 0.939 227 HG2 GLU 27 HG2 GLU 27 -0.859 14.227 2.221 228 HG3 GLU 27 HG3 GLU 27 0.453 13.325 2.974 229 H GLY 28 H GLY 28 0.499 11.511 1.206 230 HA2 GLY 28 HA2 GLY 28 -1.385 10.372 0.510 231 HA3 GLY 28 HA3 GLY 28 -1.624 11.555 -0.773 232 H THR 29 H THR 29 1.561 10.496 -0.957 233 HA THR 29 HA THR 29 1.042 8.655 -3.177 234 HB THR 29 HB THR 29 3.751 9.219 -1.880 235 HG1 THR 29 HG1 THR 29 3.114 11.142 -2.668 236 HG21 THR 29 HG21 THR 29 3.653 7.197 -3.287 237 HG22 THR 29 HG22 THR 29 2.917 8.136 -4.606 238 HG23 THR 29 HG23 THR 29 4.569 8.482 -4.059 239 H PHE 30 H PHE 30 0.907 6.423 -3.019 240 HA PHE 30 HA PHE 30 1.778 5.171 -0.465 241 HB2 PHE 30 HB2 PHE 30 -0.273 4.002 -0.238 242 HB3 PHE 30 HB3 PHE 30 -0.636 5.707 -0.388 243 HD1 PHE 30 HD1 PHE 30 -1.766 6.583 -2.422 244 HD2 PHE 30 HD2 PHE 30 -0.850 2.402 -2.002 245 HE1 PHE 30 HE1 PHE 30 -3.243 6.066 -4.350 246 HE2 PHE 30 HE2 PHE 30 -2.371 1.874 -3.895 247 HZ PHE 30 HZ PHE 30 -3.525 3.704 -5.107 248 H LEU 31 H LEU 31 1.890 2.885 -0.458 249 HA LEU 31 HA LEU 31 2.104 1.463 -3.016 250 HB2 LEU 31 HB2 LEU 31 4.388 0.755 -2.743 251 HB3 LEU 31 HB3 LEU 31 4.311 2.496 -2.750 252 HG LEU 31 HG LEU 31 4.409 2.307 -0.139 253 HD11 LEU 31 HD11 LEU 31 4.204 -0.157 0.158 254 HD12 LEU 31 HD12 LEU 31 5.567 -0.411 -0.951 255 HD13 LEU 31 HD13 LEU 31 5.806 0.377 0.623 256 HD21 LEU 31 HD21 LEU 31 6.802 1.559 -1.861 257 HD22 LEU 31 HD22 LEU 31 6.174 3.195 -1.572 258 HD23 LEU 31 HD23 LEU 31 6.854 2.281 -0.234 259 H VAL 32 H VAL 32 2.214 -0.836 -2.760 260 HA VAL 32 HA VAL 32 1.649 -1.850 -0.015 261 HB VAL 32 HB VAL 32 0.443 -2.958 -2.557 262 HG11 VAL 32 HG11 VAL 32 0.842 -4.766 -0.958 263 HG12 VAL 32 HG12 VAL 32 0.147 -3.794 0.361 264 HG13 VAL 32 HG13 VAL 32 -0.876 -4.374 -0.965 265 HG21 VAL 32 HG21 VAL 32 -0.810 -1.473 -0.199 266 HG22 VAL 32 HG22 VAL 32 -0.662 -0.855 -1.859 267 HG23 VAL 32 HG23 VAL 32 -1.712 -2.236 -1.529 268 H ARG 33 H ARG 33 2.824 -3.491 0.677 269 HA ARG 33 HA ARG 33 4.730 -4.867 -1.163 270 HB2 ARG 33 HB2 ARG 33 6.574 -4.422 0.381 271 HB3 ARG 33 HB3 ARG 33 5.852 -2.912 -0.173 272 HG2 ARG 33 HG2 ARG 33 4.518 -2.909 2.040 273 HG3 ARG 33 HG3 ARG 33 5.557 -4.250 2.545 274 HD2 ARG 33 HD2 ARG 33 7.543 -2.688 2.080 275 HD3 ARG 33 HD3 ARG 33 6.377 -1.408 1.816 276 HE ARG 33 HE ARG 33 5.925 -1.291 4.093 277 HH11 ARG 33 HH11 ARG 33 8.103 -4.030 3.572 278 HH12 ARG 33 HH12 ARG 33 8.160 -4.375 5.296 279 HH21 ARG 33 HH21 ARG 33 6.168 -1.816 6.275 280 HH22 ARG 33 HH22 ARG 33 7.139 -3.201 6.712 281 H ASP 34 H ASP 34 5.550 -6.863 -0.417 282 HA ASP 34 HA ASP 34 3.789 -8.469 1.294 283 HB2 ASP 34 HB2 ASP 34 4.932 -9.538 -0.535 284 HB3 ASP 34 HB3 ASP 34 6.496 -8.998 0.043 285 H SER 35 H SER 35 3.981 -8.893 3.430 286 HA SER 35 HA SER 35 5.138 -6.827 4.955 287 HB2 SER 35 HB2 SER 35 3.086 -7.896 5.613 288 HB3 SER 35 HB3 SER 35 3.906 -9.441 5.842 289 HG SER 35 HG SER 35 3.549 -8.053 7.772 290 H THR 36 H THR 36 6.885 -6.496 6.016 291 HA THR 36 HA THR 36 9.109 -8.367 6.170 292 HB THR 36 HB THR 36 9.972 -6.384 7.705 293 HG1 THR 36 HG1 THR 36 8.175 -5.174 7.938 294 HG21 THR 36 HG21 THR 36 10.868 -6.870 5.496 295 HG22 THR 36 HG22 THR 36 9.476 -6.097 4.714 296 HG23 THR 36 HG23 THR 36 10.618 -5.129 5.689 297 H SER 37 H SER 37 6.287 -8.048 8.052 298 HA SER 37 HA SER 37 7.543 -9.054 10.549 299 HB2 SER 37 HB2 SER 37 4.618 -8.648 9.834 300 HB3 SER 37 HB3 SER 37 5.248 -9.162 11.404 301 HG SER 37 HG SER 37 5.796 -6.693 10.080 302 H SER 38 H SER 38 5.463 -10.300 7.896 303 HA SER 38 HA SER 38 6.659 -12.920 8.143 304 HB2 SER 38 HB2 SER 38 4.883 -13.020 9.927 305 HB3 SER 38 HB3 SER 38 3.665 -12.749 8.669 306 HG SER 38 HG SER 38 4.005 -14.988 9.129 307 HA PRO 39 HA PRO 39 5.567 -12.341 3.820 308 HB2 PRO 39 HB2 PRO 39 6.305 -14.751 2.742 309 HB3 PRO 39 HB3 PRO 39 7.476 -13.509 3.280 310 HG2 PRO 39 HG2 PRO 39 6.491 -15.929 4.828 311 HG3 PRO 39 HG3 PRO 39 8.184 -15.392 4.576 312 HD2 PRO 39 HD2 PRO 39 6.822 -14.776 6.841 313 HD3 PRO 39 HD3 PRO 39 7.929 -13.587 6.092 314 H GLY 40 H GLY 40 3.928 -12.799 2.375 315 HA2 GLY 40 HA2 GLY 40 2.025 -13.962 1.520 316 HA3 GLY 40 HA3 GLY 40 1.882 -14.883 3.016 317 H ASP 41 H ASP 41 2.304 -12.196 4.504 318 HA ASP 41 HA ASP 41 -0.440 -11.028 4.232 319 HB2 ASP 41 HB2 ASP 41 1.661 -10.751 6.417 320 HB3 ASP 41 HB3 ASP 41 0.168 -9.821 6.334 321 H TYR 42 H TYR 42 -0.529 -8.610 4.148 322 HA TYR 42 HA TYR 42 1.852 -7.482 2.723 323 HB2 TYR 42 HB2 TYR 42 -1.076 -7.040 2.103 324 HB3 TYR 42 HB3 TYR 42 0.284 -6.289 1.280 325 HD1 TYR 42 HD2 TYR 42 1.945 -7.821 0.075 326 HD2 TYR 42 HD1 TYR 42 -1.892 -9.164 1.494 327 HE1 TYR 42 HE2 TYR 42 2.081 -9.800 -1.444 328 HE2 TYR 42 HE1 TYR 42 -1.765 -11.144 -0.024 329 HH TYR 42 HH TYR 42 1.044 -11.702 -2.184 330 H VAL 43 H VAL 43 1.952 -5.130 2.657 331 HA VAL 43 HA VAL 43 0.717 -3.728 4.988 332 HB VAL 43 HB VAL 43 3.657 -3.512 4.230 333 HG11 VAL 43 HG11 VAL 43 2.780 -1.393 5.132 334 HG12 VAL 43 HG12 VAL 43 2.057 -2.263 6.506 335 HG13 VAL 43 HG13 VAL 43 3.816 -2.180 6.324 336 HG21 VAL 43 HG21 VAL 43 2.367 -4.813 6.662 337 HG22 VAL 43 HG22 VAL 43 3.248 -5.637 5.361 338 HG23 VAL 43 HG23 VAL 43 4.112 -4.535 6.435 339 H LEU 44 H LEU 44 -0.103 -1.833 4.481 340 HA LEU 44 HA LEU 44 0.383 -0.549 1.840 341 HB2 LEU 44 HB2 LEU 44 -1.953 -0.929 2.493 342 HB3 LEU 44 HB3 LEU 44 -1.688 -0.153 4.035 343 HG LEU 44 HG LEU 44 -1.383 2.016 2.952 344 HD11 LEU 44 HD11 LEU 44 -0.411 1.500 0.819 345 HD12 LEU 44 HD12 LEU 44 -1.832 0.544 0.343 346 HD13 LEU 44 HD13 LEU 44 -1.955 2.302 0.538 347 HD21 LEU 44 HD21 LEU 44 -3.853 0.551 1.909 348 HD22 LEU 44 HD22 LEU 44 -3.666 1.179 3.558 349 HD23 LEU 44 HD23 LEU 44 -3.702 2.297 2.186 350 H SER 45 H SER 45 1.895 1.019 1.806 351 HA SER 45 HA SER 45 2.536 2.488 4.337 352 HB2 SER 45 HB2 SER 45 4.421 2.054 2.016 353 HB3 SER 45 HB3 SER 45 4.777 2.822 3.569 354 HG SER 45 HG SER 45 3.989 0.111 3.140 355 H CYS 46 H CYS 46 2.349 4.694 4.312 356 HA CYS 46 HA CYS 46 1.621 6.050 1.738 357 HB2 CYS 46 HB2 CYS 46 0.105 6.209 4.377 358 HB3 CYS 46 HB3 CYS 46 -0.233 7.172 2.932 359 HG CYS 46 HG CYS 46 -0.299 3.876 3.247 360 H SER 47 H SER 47 2.379 8.177 1.503 361 HA SER 47 HA SER 47 3.957 9.369 3.672 362 HB2 SER 47 HB2 SER 47 4.164 11.222 2.012 363 HB3 SER 47 HB3 SER 47 4.868 9.686 1.530 364 HG SER 47 HG SER 47 3.519 10.930 -0.048 365 H GLU 48 H GLU 48 2.697 10.012 5.301 366 HA GLU 48 HA GLU 48 0.610 12.041 4.740 367 HB2 GLU 48 HB2 GLU 48 0.026 9.345 5.972 368 HB3 GLU 48 HB3 GLU 48 -0.839 10.749 6.553 369 HG2 GLU 48 HG2 GLU 48 -0.868 9.662 3.723 370 HG3 GLU 48 HG3 GLU 48 -2.183 9.694 4.883 371 H ASN 49 H ASN 49 -0.087 13.349 6.342 372 HA ASN 49 HA ASN 49 0.353 14.926 7.845 373 HB2 ASN 49 HB2 ASN 49 -0.608 13.061 9.233 374 HB3 ASN 49 HB3 ASN 49 1.030 12.648 9.734 375 HD21 ASN 49 HD22 ASN 49 -0.118 13.071 11.882 376 HD22 ASN 49 HD21 ASN 49 -0.070 14.728 12.470 377 H GLY 50 H GLY 50 2.399 14.718 6.103 378 HA2 GLY 50 HA2 GLY 50 4.549 15.439 5.730 379 HA3 GLY 50 HA3 GLY 50 4.582 16.016 7.396 380 H LYS 51 H LYS 51 4.025 12.652 7.275 381 HA LYS 51 HA LYS 51 6.902 11.875 7.459 382 HB2 LYS 51 HB2 LYS 51 6.409 10.511 9.437 383 HB3 LYS 51 HB3 LYS 51 6.091 12.211 9.741 384 HG2 LYS 51 HG2 LYS 51 3.680 11.862 9.497 385 HG3 LYS 51 HG3 LYS 51 3.936 10.154 9.078 386 HD2 LYS 51 HD2 LYS 51 4.838 9.733 11.331 387 HD3 LYS 51 HD3 LYS 51 4.672 11.459 11.734 388 HE2 LYS 51 HE2 LYS 51 2.218 11.306 11.304 389 HE3 LYS 51 HE3 LYS 51 2.387 9.583 10.955 390 HZ1 LYS 51 HZ1 LYS 51 3.154 9.264 13.252 391 HZ2 LYS 51 HZ2 LYS 51 3.009 10.861 13.570 392 HZ3 LYS 51 HZ3 LYS 51 1.678 9.969 13.252 393 H VAL 52 H VAL 52 6.609 9.199 7.874 394 HA VAL 52 HA VAL 52 4.822 8.214 5.689 395 HB VAL 52 HB VAL 52 7.536 7.035 6.347 396 HG11 VAL 52 HG11 VAL 52 5.982 5.311 5.589 397 HG12 VAL 52 HG12 VAL 52 5.395 6.355 4.280 398 HG13 VAL 52 HG13 VAL 52 7.038 5.703 4.237 399 HG21 VAL 52 HG21 VAL 52 6.588 8.749 4.013 400 HG22 VAL 52 HG22 VAL 52 7.890 9.118 5.159 401 HG23 VAL 52 HG23 VAL 52 8.096 7.805 4.003 402 H THR 53 H THR 53 3.475 6.639 6.180 403 HA THR 53 HA THR 53 3.600 5.357 8.880 404 HB THR 53 HB THR 53 1.138 5.458 8.892 405 HG1 THR 53 HG1 THR 53 0.060 6.614 7.417 406 HG21 THR 53 HG21 THR 53 2.422 7.256 10.017 407 HG22 THR 53 HG22 THR 53 2.408 8.207 8.511 408 HG23 THR 53 HG23 THR 53 0.891 7.854 9.346 409 H HIS 54 H HIS 54 2.452 3.321 9.069 410 HA HIS 54 HA HIS 54 2.288 1.720 6.559 411 HB2 HIS 54 HB2 HIS 54 3.720 0.837 9.086 412 HB3 HIS 54 HB3 HIS 54 3.565 -0.064 7.585 413 HD1 HIS 54 HD1 HIS 54 4.980 1.171 5.399 414 HD2 HIS 54 HD2 HIS 54 5.843 2.312 9.363 415 HE1 HIS 54 HE1 HIS 54 7.284 2.255 5.353 416 H TYR 55 H TYR 55 0.670 0.269 6.514 417 HA TYR 55 HA TYR 55 -0.930 -0.324 8.975 418 HB2 TYR 55 HB2 TYR 55 -2.049 0.348 6.230 419 HB3 TYR 55 HB3 TYR 55 -2.948 0.097 7.719 420 HD1 TYR 55 HD1 TYR 55 -2.626 1.798 9.643 421 HD2 TYR 55 HD2 TYR 55 -1.241 2.495 5.615 422 HE1 TYR 55 HE1 TYR 55 -2.472 4.238 10.117 423 HE2 TYR 55 HE2 TYR 55 -1.098 4.935 6.091 424 HH TYR 55 HH TYR 55 -1.947 6.296 9.295 425 H LYS 56 H LYS 56 -1.391 -2.482 9.216 426 HA LYS 56 HA LYS 56 -0.349 -4.378 7.268 427 HB2 LYS 56 HB2 LYS 56 -1.929 -4.776 9.835 428 HB3 LYS 56 HB3 LYS 56 -1.349 -6.092 8.804 429 HG2 LYS 56 HG2 LYS 56 0.993 -5.318 9.091 430 HG3 LYS 56 HG3 LYS 56 0.431 -3.995 10.120 431 HD2 LYS 56 HD2 LYS 56 1.273 -5.770 11.520 432 HD3 LYS 56 HD3 LYS 56 -0.477 -5.640 11.749 433 HE2 LYS 56 HE2 LYS 56 -0.809 -7.575 10.205 434 HE3 LYS 56 HE3 LYS 56 0.939 -7.683 9.968 435 HZ1 LYS 56 HZ1 LYS 56 1.160 -8.163 12.351 436 HZ2 LYS 56 HZ2 LYS 56 -0.458 -8.056 12.567 437 HZ3 LYS 56 HZ3 LYS 56 0.165 -9.255 11.653 438 H LEU 57 H LEU 57 -1.260 -5.441 5.743 439 HA LEU 57 HA LEU 57 -4.230 -5.525 5.351 440 HB2 LEU 57 HB2 LEU 57 -1.867 -5.636 3.458 441 HB3 LEU 57 HB3 LEU 57 -3.472 -6.163 2.957 442 HG LEU 57 HG LEU 57 -3.057 -3.399 4.090 443 HD11 LEU 57 HD11 LEU 57 -1.384 -3.435 2.408 444 HD12 LEU 57 HD12 LEU 57 -2.346 -4.430 1.325 445 HD13 LEU 57 HD13 LEU 57 -2.794 -2.738 1.580 446 HD21 LEU 57 HD21 LEU 57 -4.922 -4.465 1.930 447 HD22 LEU 57 HD22 LEU 57 -5.375 -4.269 3.636 448 HD23 LEU 57 HD23 LEU 57 -4.962 -2.847 2.662 449 H SER 58 H SER 58 -4.274 -7.148 6.937 450 HA SER 58 HA SER 58 -2.598 -9.541 6.833 451 HB2 SER 58 HB2 SER 58 -4.999 -8.811 8.548 452 HB3 SER 58 HB3 SER 58 -4.003 -10.259 8.764 453 HG SER 58 HG SER 58 -3.359 -8.497 10.118 454 H ALA 59 H ALA 59 -3.132 -11.599 6.166 455 HA ALA 59 HA ALA 59 -5.501 -11.928 4.466 456 HB1 ALA 59 HB1 ALA 59 -3.345 -12.864 3.787 457 HB2 ALA 59 HB2 ALA 59 -3.303 -13.874 5.252 458 HB3 ALA 59 HB3 ALA 59 -4.552 -14.146 4.015 459 H GLU 60 H GLU 60 -7.406 -12.712 5.066 460 HA GLU 60 HA GLU 60 -7.712 -14.451 7.479 461 HB2 GLU 60 HB2 GLU 60 -8.143 -12.055 8.050 462 HB3 GLU 60 HB3 GLU 60 -9.417 -12.006 6.827 463 HG2 GLU 60 HG2 GLU 60 -10.594 -13.863 8.050 464 HG3 GLU 60 HG3 GLU 60 -9.331 -13.820 9.283 465 H GLU 61 H GLU 61 -8.394 -16.322 6.587 466 HA GLU 61 HA GLU 61 -9.346 -17.837 5.193 467 HB2 GLU 61 HB2 GLU 61 -11.756 -16.017 5.409 468 HB3 GLU 61 HB3 GLU 61 -11.754 -17.708 4.891 469 HG2 GLU 61 HG2 GLU 61 -10.773 -18.344 7.122 470 HG3 GLU 61 HG3 GLU 61 -10.996 -16.677 7.654 471 H GLY 62 H GLY 62 -7.811 -15.895 3.850 472 HA2 GLY 62 HA2 GLY 62 -7.102 -15.675 1.627 473 HA3 GLY 62 HA3 GLY 62 -8.633 -16.338 1.057 474 H LYS 63 H LYS 63 -9.487 -13.939 3.182 475 HA LYS 63 HA LYS 63 -9.635 -11.771 1.118 476 HB2 LYS 63 HB2 LYS 63 -11.369 -12.291 3.574 477 HB3 LYS 63 HB3 LYS 63 -11.527 -10.924 2.475 478 HG2 LYS 63 HG2 LYS 63 -11.796 -12.622 0.576 479 HG3 LYS 63 HG3 LYS 63 -11.971 -13.860 1.833 480 HD2 LYS 63 HD2 LYS 63 -13.874 -12.486 2.796 481 HD3 LYS 63 HD3 LYS 63 -13.762 -11.430 1.389 482 HE2 LYS 63 HE2 LYS 63 -14.448 -14.398 1.431 483 HE3 LYS 63 HE3 LYS 63 -15.543 -13.062 1.077 484 HZ1 LYS 63 HZ1 LYS 63 -14.175 -12.612 -0.956 485 HZ2 LYS 63 HZ2 LYS 63 -13.258 -13.918 -0.618 486 HZ3 LYS 63 HZ3 LYS 63 -14.837 -14.103 -0.967 487 H ILE 64 H ILE 64 -9.793 -9.521 2.338 488 HA ILE 64 HA ILE 64 -7.147 -9.292 3.729 489 HB ILE 64 HB ILE 64 -8.626 -7.473 1.808 490 HG12 ILE 64 HG12 ILE 64 -7.476 -9.319 0.691 491 HG13 ILE 64 HG13 ILE 64 -6.737 -7.779 0.328 492 HG21 ILE 64 HG21 ILE 64 -7.594 -5.992 3.408 493 HG22 ILE 64 HG22 ILE 64 -6.060 -6.884 3.336 494 HG23 ILE 64 HG23 ILE 64 -6.657 -5.972 1.924 495 HD11 ILE 64 HD11 ILE 64 -4.884 -8.279 1.937 496 HD12 ILE 64 HD12 ILE 64 -5.621 -9.869 2.253 497 HD13 ILE 64 HD13 ILE 64 -5.019 -9.470 0.637 498 H ARG 65 H ARG 65 -7.172 -8.742 5.767 499 HA ARG 65 HA ARG 65 -9.319 -6.970 6.874 500 HB2 ARG 65 HB2 ARG 65 -9.102 -9.207 7.935 501 HB3 ARG 65 HB3 ARG 65 -7.405 -8.887 8.257 502 HG2 ARG 65 HG2 ARG 65 -8.500 -8.522 10.305 503 HG3 ARG 65 HG3 ARG 65 -8.116 -6.921 9.701 504 HD2 ARG 65 HD2 ARG 65 -10.303 -6.776 10.590 505 HD3 ARG 65 HD3 ARG 65 -10.532 -6.799 8.837 506 HE ARG 65 HE ARG 65 -10.653 -9.483 9.748 507 HH11 ARG 65 HH11 ARG 65 -12.646 -6.600 10.354 508 HH12 ARG 65 HH12 ARG 65 -14.050 -7.587 10.613 509 HH21 ARG 65 HH21 ARG 65 -12.507 -10.587 9.952 510 HH22 ARG 65 HH22 ARG 65 -13.979 -9.768 10.428 511 H ILE 66 H ILE 66 -8.786 -4.931 7.338 512 HA ILE 66 HA ILE 66 -6.018 -4.245 8.131 513 HB ILE 66 HB ILE 66 -5.880 -3.795 5.841 514 HG12 ILE 66 HG12 ILE 66 -6.486 -1.079 7.040 515 HG13 ILE 66 HG13 ILE 66 -5.089 -2.019 7.543 516 HG21 ILE 66 HG21 ILE 66 -8.288 -3.756 5.238 517 HG22 ILE 66 HG22 ILE 66 -8.428 -2.143 5.968 518 HG23 ILE 66 HG23 ILE 66 -7.408 -2.410 4.534 519 HD11 ILE 66 HD11 ILE 66 -4.133 -1.946 5.327 520 HD12 ILE 66 HD12 ILE 66 -5.569 -1.133 4.665 521 HD13 ILE 66 HD13 ILE 66 -4.542 -0.302 5.840 522 H ASP 67 H ASP 67 -5.907 -2.995 9.801 523 HA ASP 67 HA ASP 67 -6.506 -2.078 11.757 524 HB2 ASP 67 HB2 ASP 67 -6.787 -0.048 10.481 525 HB3 ASP 67 HB3 ASP 67 -8.455 -0.457 10.097 526 H THR 68 H THR 68 -9.820 -1.945 10.594 527 HA THR 68 HA THR 68 -10.607 -4.388 12.107 528 HB THR 68 HB THR 68 -12.734 -3.206 12.770 529 HG1 THR 68 HG1 THR 68 -11.211 -0.859 12.330 530 HG21 THR 68 HG21 THR 68 -10.950 -3.609 14.422 531 HG22 THR 68 HG22 THR 68 -10.201 -2.053 14.009 532 HG23 THR 68 HG23 THR 68 -11.822 -2.098 14.737 533 H HIS 69 H HIS 69 -10.679 -2.684 9.163 534 HA HIS 69 HA HIS 69 -13.352 -3.463 8.277 535 HB2 HIS 69 HB2 HIS 69 -11.020 -2.141 6.834 536 HB3 HIS 69 HB3 HIS 69 -12.641 -2.368 6.185 537 HD1 HIS 69 HD1 HIS 69 -14.423 -0.517 6.817 538 HD2 HIS 69 HD2 HIS 69 -10.743 -0.272 8.842 539 HE1 HIS 69 HE1 HIS 69 -14.416 1.733 8.014 540 H LEU 70 H LEU 70 -13.794 -5.121 6.992 541 HA LEU 70 HA LEU 70 -11.599 -6.835 5.926 542 HB2 LEU 70 HB2 LEU 70 -13.257 -7.894 7.547 543 HB3 LEU 70 HB3 LEU 70 -14.489 -7.645 6.315 544 HG LEU 70 HG LEU 70 -12.972 -9.029 4.734 545 HD11 LEU 70 HD11 LEU 70 -10.899 -8.896 6.183 546 HD12 LEU 70 HD12 LEU 70 -11.721 -9.897 7.379 547 HD13 LEU 70 HD13 LEU 70 -11.371 -10.546 5.765 548 HD21 LEU 70 HD21 LEU 70 -14.125 -10.376 7.209 549 HD22 LEU 70 HD22 LEU 70 -15.024 -9.931 5.741 550 HD23 LEU 70 HD23 LEU 70 -13.759 -11.167 5.659 551 H PHE 71 H PHE 71 -11.342 -7.028 3.823 552 HA PHE 71 HA PHE 71 -13.425 -6.127 1.881 553 HB2 PHE 71 HB2 PHE 71 -10.421 -5.653 1.710 554 HB3 PHE 71 HB3 PHE 71 -11.614 -5.243 0.488 555 HD1 PHE 71 HD1 PHE 71 -13.487 -3.546 1.158 556 HD2 PHE 71 HD2 PHE 71 -9.869 -4.121 3.432 557 HE1 PHE 71 HE1 PHE 71 -13.852 -1.369 2.295 558 HE2 PHE 71 HE2 PHE 71 -10.210 -1.910 4.521 559 HZ PHE 71 HZ PHE 71 -12.215 -0.559 3.986 560 H ASP 72 H ASP 72 -13.364 -7.202 -0.160 561 HA ASP 72 HA ASP 72 -12.745 -9.970 0.003 562 HB2 ASP 72 HB2 ASP 72 -14.542 -9.057 -1.382 563 HB3 ASP 72 HB3 ASP 72 -13.373 -8.184 -2.377 564 H ASN 73 H ASN 73 -10.896 -7.291 -1.336 565 HA ASN 73 HA ASN 73 -8.481 -8.907 -1.686 566 HB2 ASN 73 HB2 ASN 73 -8.300 -8.353 -4.116 567 HB3 ASN 73 HB3 ASN 73 -9.659 -9.412 -3.765 568 HD21 ASN 73 HD22 ASN 73 -11.762 -8.722 -4.362 569 HD22 ASN 73 HD21 ASN 73 -12.027 -7.127 -5.065 570 H LEU 74 H LEU 74 -6.704 -7.493 -2.676 571 HA LEU 74 HA LEU 74 -6.281 -5.243 -0.989 572 HB2 LEU 74 HB2 LEU 74 -4.890 -6.171 -3.532 573 HB3 LEU 74 HB3 LEU 74 -4.319 -4.848 -2.518 574 HG LEU 74 HG LEU 74 -4.566 -7.751 -1.654 575 HD11 LEU 74 HD11 LEU 74 -2.710 -7.296 -3.220 576 HD12 LEU 74 HD12 LEU 74 -2.154 -5.973 -2.170 577 HD13 LEU 74 HD13 LEU 74 -2.106 -7.651 -1.588 578 HD21 LEU 74 HD21 LEU 74 -3.594 -5.262 -0.208 579 HD22 LEU 74 HD22 LEU 74 -4.904 -6.337 0.304 580 HD23 LEU 74 HD23 LEU 74 -3.237 -6.917 0.352 581 H ASP 75 H ASP 75 -7.312 -5.327 -4.435 582 HA ASP 75 HA ASP 75 -7.060 -2.501 -4.854 583 HB2 ASP 75 HB2 ASP 75 -7.114 -4.185 -6.657 584 HB3 ASP 75 HB3 ASP 75 -8.794 -4.555 -6.275 585 H ALA 76 H ALA 76 -9.797 -4.477 -3.681 586 HA ALA 76 HA ALA 76 -11.695 -2.337 -3.495 587 HB1 ALA 76 HB1 ALA 76 -12.324 -4.709 -3.426 588 HB2 ALA 76 HB2 ALA 76 -11.442 -4.922 -1.897 589 HB3 ALA 76 HB3 ALA 76 -12.877 -3.876 -1.960 590 H ALA 77 H ALA 77 -9.195 -3.475 -1.174 591 HA ALA 77 HA ALA 77 -9.969 -1.696 0.954 592 HB1 ALA 77 HB1 ALA 77 -8.586 -3.760 1.221 593 HB2 ALA 77 HB2 ALA 77 -7.250 -2.958 0.374 594 HB3 ALA 77 HB3 ALA 77 -7.824 -2.319 1.928 595 H ILE 78 H ILE 78 -7.487 -1.374 -1.642 596 HA ILE 78 HA ILE 78 -6.617 1.280 -1.004 597 HB ILE 78 HB ILE 78 -6.786 -0.228 -3.643 598 HG12 ILE 78 HG12 ILE 78 -5.264 -1.314 -2.105 599 HG13 ILE 78 HG13 ILE 78 -4.368 -0.558 -3.398 600 HG21 ILE 78 HG21 ILE 78 -6.699 2.120 -4.240 601 HG22 ILE 78 HG22 ILE 78 -5.354 2.399 -3.118 602 HG23 ILE 78 HG23 ILE 78 -5.129 1.380 -4.549 603 HD11 ILE 78 HD11 ILE 78 -3.760 1.310 -1.827 604 HD12 ILE 78 HD12 ILE 78 -4.617 0.440 -0.531 605 HD13 ILE 78 HD13 ILE 78 -3.209 -0.291 -1.312 606 H THR 79 H THR 79 -9.182 0.219 -3.215 607 HA THR 79 HA THR 79 -10.144 2.768 -3.996 608 HB THR 79 HB THR 79 -11.740 0.190 -3.736 609 HG1 THR 79 HG1 THR 79 -10.092 -0.124 -5.117 610 HG21 THR 79 HG21 THR 79 -13.286 2.066 -4.046 611 HG22 THR 79 HG22 THR 79 -12.274 2.721 -5.354 612 HG23 THR 79 HG23 THR 79 -13.130 1.177 -5.565 613 H PHE 80 H PHE 80 -11.194 0.787 -1.148 614 HA PHE 80 HA PHE 80 -13.174 2.621 -0.239 615 HB2 PHE 80 HB2 PHE 80 -12.903 0.332 0.608 616 HB3 PHE 80 HB3 PHE 80 -11.370 0.766 1.353 617 HD1 PHE 80 HD2 PHE 80 -15.055 1.182 1.518 618 HD2 PHE 80 HD1 PHE 80 -11.292 2.126 3.397 619 HE1 PHE 80 HE2 PHE 80 -16.259 1.958 3.548 620 HE2 PHE 80 HE1 PHE 80 -12.497 2.905 5.425 621 HZ PHE 80 HZ PHE 80 -14.983 2.826 5.501 622 H TYR 81 H TYR 81 -9.638 2.509 0.502 623 HA TYR 81 HA TYR 81 -9.830 4.978 2.028 624 HB2 TYR 81 HB2 TYR 81 -7.426 3.359 1.191 625 HB3 TYR 81 HB3 TYR 81 -7.385 4.765 2.257 626 HD1 TYR 81 HD1 TYR 81 -9.417 4.596 4.173 627 HD2 TYR 81 HD2 TYR 81 -7.185 1.352 2.402 628 HE1 TYR 81 HE1 TYR 81 -9.876 3.193 6.170 629 HE2 TYR 81 HE2 TYR 81 -7.658 -0.050 4.406 630 HH TYR 81 HH TYR 81 -9.562 1.175 7.176 631 H MET 82 H MET 82 -9.866 4.585 -1.291 632 HA MET 82 HA MET 82 -8.648 7.229 -1.889 633 HB2 MET 82 HB2 MET 82 -10.297 5.277 -3.542 634 HB3 MET 82 HB3 MET 82 -9.801 6.850 -4.127 635 HG2 MET 82 HG2 MET 82 -7.746 4.863 -3.134 636 HG3 MET 82 HG3 MET 82 -8.421 4.781 -4.759 637 HE1 MET 82 HE1 MET 82 -5.516 4.802 -4.706 638 HE2 MET 82 HE2 MET 82 -6.430 5.063 -6.207 639 HE3 MET 82 HE3 MET 82 -5.057 6.118 -5.818 640 H GLU 83 H GLU 83 -11.869 5.744 -1.449 641 HA GLU 83 HA GLU 83 -13.334 8.241 -1.873 642 HB2 GLU 83 HB2 GLU 83 -14.151 5.478 -0.890 643 HB3 GLU 83 HB3 GLU 83 -15.283 6.800 -1.161 644 HG2 GLU 83 HG2 GLU 83 -13.501 5.582 -3.320 645 HG3 GLU 83 HG3 GLU 83 -15.180 5.154 -3.030 646 H HIS 84 H HIS 84 -12.132 6.498 0.950 647 HA HIS 84 HA HIS 84 -13.260 8.585 2.776 648 HB2 HIS 84 HB2 HIS 84 -12.867 5.624 3.350 649 HB3 HIS 84 HB3 HIS 84 -13.550 6.826 4.440 650 HD1 HIS 84 HD1 HIS 84 -16.021 7.906 3.515 651 HD2 HIS 84 HD2 HIS 84 -14.536 4.381 1.763 652 HE1 HIS 84 HE1 HIS 84 -17.982 6.840 2.282 653 H GLU 85 H GLU 85 -12.017 8.984 4.741 654 HA GLU 85 HA GLU 85 -9.142 9.040 4.271 655 HB2 GLU 85 HB2 GLU 85 -10.788 9.788 6.712 656 HB3 GLU 85 HB3 GLU 85 -9.044 10.044 6.544 657 HG2 GLU 85 HG2 GLU 85 -9.405 11.505 4.598 658 HG3 GLU 85 HG3 GLU 85 -11.147 11.244 4.684 659 H LEU 86 H LEU 86 -7.523 7.859 5.177 660 HA LEU 86 HA LEU 86 -8.194 5.201 6.211 661 HB2 LEU 86 HB2 LEU 86 -6.465 5.837 4.439 662 HB3 LEU 86 HB3 LEU 86 -5.453 6.449 5.728 663 HG LEU 86 HG LEU 86 -6.439 3.577 5.439 664 HD11 LEU 86 HD11 LEU 86 -4.833 4.225 3.699 665 HD12 LEU 86 HD12 LEU 86 -3.709 4.832 4.937 666 HD13 LEU 86 HD13 LEU 86 -4.087 3.102 4.845 667 HD21 LEU 86 HD21 LEU 86 -4.517 4.805 7.441 668 HD22 LEU 86 HD22 LEU 86 -6.024 3.915 7.779 669 HD23 LEU 86 HD23 LEU 86 -4.639 3.062 7.120 670 H GLU 87 H GLU 87 -6.042 7.782 7.288 671 HA GLU 87 HA GLU 87 -7.008 7.586 10.085 672 HB2 GLU 87 HB2 GLU 87 -5.111 5.985 9.962 673 HB3 GLU 87 HB3 GLU 87 -4.074 7.259 9.337 674 HG2 GLU 87 HG2 GLU 87 -3.565 6.988 11.644 675 HG3 GLU 87 HG3 GLU 87 -4.390 8.528 11.487 676 H TYR 88 H TYR 88 -4.275 9.141 8.341 677 HA TYR 88 HA TYR 88 -4.965 11.760 9.505 678 HB2 TYR 88 HB2 TYR 88 -2.680 10.874 7.733 679 HB3 TYR 88 HB3 TYR 88 -2.814 12.436 8.520 680 HD1 TYR 88 HD2 TYR 88 -2.763 12.569 11.064 681 HD2 TYR 88 HD1 TYR 88 -1.822 8.949 8.909 682 HE1 TYR 88 HE2 TYR 88 -1.605 11.658 13.084 683 HE2 TYR 88 HE1 TYR 88 -0.721 8.030 10.943 684 HH TYR 88 HH TYR 88 -0.162 8.380 13.126 685 H SER 89 H SER 89 -4.967 10.224 6.295 686 HA SER 89 HA SER 89 -6.904 12.156 5.288 687 HB2 SER 89 HB2 SER 89 -4.457 13.105 4.829 688 HB3 SER 89 HB3 SER 89 -4.399 11.782 3.660 689 HG SER 89 HG SER 89 -6.230 13.965 3.758 690 H SER 90 H SER 90 -7.076 11.526 2.715 691 HA SER 90 HA SER 90 -7.470 8.587 2.478 692 HB2 SER 90 HB2 SER 90 -8.639 9.216 0.366 693 HB3 SER 90 HB3 SER 90 -9.362 9.908 1.827 694 HG SER 90 HG SER 90 -9.139 11.447 0.115 695 H LEU 91 H LEU 91 -6.807 7.548 0.469 696 HA LEU 91 HA LEU 91 -4.038 7.953 -0.297 697 HB2 LEU 91 HB2 LEU 91 -6.256 6.336 -1.625 698 HB3 LEU 91 HB3 LEU 91 -4.541 6.201 -1.972 699 HG LEU 91 HG LEU 91 -5.960 5.406 0.592 700 HD11 LEU 91 HD11 LEU 91 -6.196 3.862 -1.367 701 HD12 LEU 91 HD12 LEU 91 -4.430 3.753 -1.455 702 HD13 LEU 91 HD13 LEU 91 -5.297 3.135 -0.036 703 HD21 LEU 91 HD21 LEU 91 -2.995 5.280 -0.033 704 HD22 LEU 91 HD22 LEU 91 -3.765 6.258 1.234 705 HD23 LEU 91 HD23 LEU 91 -3.785 4.500 1.346 706 H LYS 92 H LYS 92 -3.180 8.841 -2.186 707 HA LYS 92 HA LYS 92 -5.074 10.419 -3.909 708 HB2 LYS 92 HB2 LYS 92 -2.328 11.383 -3.017 709 HB3 LYS 92 HB3 LYS 92 -3.549 12.258 -3.943 710 HG2 LYS 92 HG2 LYS 92 -5.160 12.061 -2.027 711 HG3 LYS 92 HG3 LYS 92 -3.884 11.287 -1.081 712 HD2 LYS 92 HD2 LYS 92 -2.517 13.395 -1.271 713 HD3 LYS 92 HD3 LYS 92 -3.856 14.133 -2.136 714 HE2 LYS 92 HE2 LYS 92 -3.858 14.758 0.256 715 HE3 LYS 92 HE3 LYS 92 -5.327 13.907 -0.225 716 HZ1 LYS 92 HZ1 LYS 92 -4.402 11.875 0.799 717 HZ2 LYS 92 HZ2 LYS 92 -3.084 12.684 1.345 718 HZ3 LYS 92 HZ3 LYS 92 -4.573 13.077 1.868 719 H GLN 93 H GLN 93 -1.867 8.797 -3.933 720 HA GLN 93 HA GLN 93 -2.392 8.018 -6.704 721 HB2 GLN 93 HB2 GLN 93 -0.370 9.025 -7.651 722 HB3 GLN 93 HB3 GLN 93 -1.460 10.259 -7.020 723 HG2 GLN 93 HG2 GLN 93 -0.042 10.341 -4.914 724 HG3 GLN 93 HG3 GLN 93 1.083 9.225 -5.690 725 HE21 GLN 93 HE22 GLN 93 2.255 11.350 -4.889 726 HE22 GLN 93 HE21 GLN 93 2.522 12.521 -6.191 727 HA PRO 94 HA PRO 94 0.303 4.630 -5.449 728 HB2 PRO 94 HB2 PRO 94 0.816 3.432 -7.832 729 HB3 PRO 94 HB3 PRO 94 -0.825 3.426 -7.106 730 HG2 PRO 94 HG2 PRO 94 0.221 5.317 -9.227 731 HG3 PRO 94 HG3 PRO 94 -1.288 4.347 -9.248 732 HD2 PRO 94 HD2 PRO 94 -1.254 6.952 -8.438 733 HD3 PRO 94 HD3 PRO 94 -2.325 5.748 -7.661 734 H LEU 95 H LEU 95 2.525 4.321 -5.220 735 HA LEU 95 HA LEU 95 4.419 6.236 -6.245 736 HB2 LEU 95 HB2 LEU 95 4.725 5.031 -4.112 737 HB3 LEU 95 HB3 LEU 95 4.788 3.498 -4.977 738 HG LEU 95 HG LEU 95 6.885 4.228 -6.113 739 HD11 LEU 95 HD11 LEU 95 6.610 6.704 -5.993 740 HD12 LEU 95 HD12 LEU 95 6.716 6.609 -4.222 741 HD13 LEU 95 HD13 LEU 95 8.116 6.189 -5.231 742 HD21 LEU 95 HD21 LEU 95 7.117 4.499 -3.109 743 HD22 LEU 95 HD22 LEU 95 6.925 2.951 -3.966 744 HD23 LEU 95 HD23 LEU 95 8.357 3.947 -4.253 745 H GLN 96 H GLN 96 5.963 6.032 -7.900 746 HA GLN 96 HA GLN 96 5.258 4.257 -10.136 747 HB2 GLN 96 HB2 GLN 96 7.347 6.452 -9.867 748 HB3 GLN 96 HB3 GLN 96 7.014 5.535 -11.342 749 HG2 GLN 96 HG2 GLN 96 4.655 6.354 -11.316 750 HG3 GLN 96 HG3 GLN 96 5.011 7.322 -9.881 751 HE21 GLN 96 HE22 GLN 96 5.814 6.938 -13.372 752 HE22 GLN 96 HE21 GLN 96 6.396 8.587 -13.546 753 H ARG 97 H ARG 97 6.679 2.825 -11.173 754 HA ARG 97 HA ARG 97 9.086 1.873 -9.721 755 HB2 ARG 97 HB2 ARG 97 8.379 -0.420 -9.757 756 HB3 ARG 97 HB3 ARG 97 7.170 0.538 -8.905 757 HG2 ARG 97 HG2 ARG 97 5.757 0.541 -10.990 758 HG3 ARG 97 HG3 ARG 97 6.965 -0.505 -11.763 759 HD2 ARG 97 HD2 ARG 97 6.592 -2.203 -9.966 760 HD3 ARG 97 HD3 ARG 97 5.338 -1.153 -9.278 761 HE ARG 97 HE ARG 97 5.051 -1.896 -12.129 762 HH11 ARG 97 HH11 ARG 97 4.006 -2.692 -8.862 763 HH12 ARG 97 HH12 ARG 97 2.454 -3.253 -9.443 764 HH21 ARG 97 HH21 ARG 97 3.144 -2.838 -12.757 765 HH22 ARG 97 HH22 ARG 97 2.082 -3.519 -11.560 Start of MODEL 18 1 H1 GLY -6 H1 GLY -6 16.505 -20.848 -18.539 2 H2 GLY -6 H2 GLY -6 17.008 -20.664 -16.992 3 H3 GLY -6 H3 GLY -6 15.405 -20.722 -17.331 4 HA2 GLY -6 HA2 GLY -6 15.523 -18.655 -18.557 5 HA3 GLY -6 HA3 GLY -6 16.048 -18.455 -16.875 6 H SER -5 H SER -5 16.740 -16.847 -19.234 7 HA SER -5 HA SER -5 19.716 -17.000 -19.120 8 HB2 SER -5 HB2 SER -5 18.101 -16.732 -21.688 9 HB3 SER -5 HB3 SER -5 19.862 -16.639 -21.549 10 HG SER -5 HG SER -5 19.866 -18.816 -20.831 11 H SER -4 H SER -4 20.799 -15.043 -19.602 12 HA SER -4 HA SER -4 19.577 -12.669 -18.650 13 HB2 SER -4 HB2 SER -4 22.102 -12.959 -20.321 14 HB3 SER -4 HB3 SER -4 21.642 -11.551 -19.342 15 HG SER -4 HG SER -4 23.090 -12.953 -18.227 16 H GLY -3 H GLY -3 18.699 -10.896 -19.597 17 HA2 GLY -3 HA2 GLY -3 17.960 -9.420 -21.217 18 HA3 GLY -3 HA3 GLY -3 18.784 -10.358 -22.460 19 H SER -2 H SER -2 16.907 -12.653 -20.996 20 HA SER -2 HA SER -2 14.800 -12.522 -23.013 21 HB2 SER -2 HB2 SER -2 15.278 -14.536 -20.795 22 HB3 SER -2 HB3 SER -2 14.100 -14.689 -22.112 23 HG SER -2 HG SER -2 15.982 -15.778 -22.679 24 H SER -1 H SER -1 14.496 -10.282 -21.582 25 HA SER -1 HA SER -1 12.895 -10.482 -19.225 26 HB2 SER -1 HB2 SER -1 13.343 -8.071 -21.016 27 HB3 SER -1 HB3 SER -1 12.840 -8.056 -19.314 28 HG SER -1 HG SER -1 15.091 -7.691 -19.534 29 H GLY 0 H GLY 0 11.780 -11.022 -22.323 30 HA2 GLY 0 HA2 GLY 0 9.198 -9.685 -22.264 31 HA3 GLY 0 HA3 GLY 0 9.713 -10.963 -23.365 32 H MET 1 H MET 1 8.801 -10.447 -19.961 33 HA MET 1 HA MET 1 7.401 -13.099 -19.844 34 HB2 MET 1 HB2 MET 1 9.166 -11.746 -17.764 35 HB3 MET 1 HB3 MET 1 8.166 -13.176 -17.462 36 HG2 MET 1 HG2 MET 1 9.429 -14.435 -19.171 37 HG3 MET 1 HG3 MET 1 10.407 -13.007 -19.509 38 HE1 MET 1 HE1 MET 1 9.253 -14.522 -15.940 39 HE2 MET 1 HE2 MET 1 9.605 -15.900 -17.011 40 HE3 MET 1 HE3 MET 1 10.667 -15.548 -15.631 41 H ALA 2 H ALA 2 5.694 -13.275 -18.299 42 HA ALA 2 HA ALA 2 3.947 -10.960 -18.303 43 HB1 ALA 2 HB1 ALA 2 3.186 -13.208 -18.938 44 HB2 ALA 2 HB2 ALA 2 3.521 -13.798 -17.292 45 HB3 ALA 2 HB3 ALA 2 2.261 -12.574 -17.566 46 H GLU 3 H GLU 3 5.916 -10.094 -16.775 47 HA GLU 3 HA GLU 3 5.503 -10.639 -13.915 48 HB2 GLU 3 HB2 GLU 3 7.424 -8.788 -15.373 49 HB3 GLU 3 HB3 GLU 3 7.465 -9.124 -13.644 50 HG2 GLU 3 HG2 GLU 3 7.886 -11.189 -15.841 51 HG3 GLU 3 HG3 GLU 3 9.151 -10.411 -14.906 52 H ALA 4 H ALA 4 3.653 -8.800 -15.823 53 HA ALA 4 HA ALA 4 3.622 -6.230 -14.600 54 HB1 ALA 4 HB1 ALA 4 2.723 -6.699 -16.839 55 HB2 ALA 4 HB2 ALA 4 1.438 -7.705 -16.128 56 HB3 ALA 4 HB3 ALA 4 1.489 -5.960 -15.802 57 H ALA 5 H ALA 5 2.256 -5.260 -13.142 58 HA ALA 5 HA ALA 5 0.364 -6.794 -11.481 59 HB1 ALA 5 HB1 ALA 5 2.598 -7.179 -10.436 60 HB2 ALA 5 HB2 ALA 5 2.843 -5.420 -10.328 61 HB3 ALA 5 HB3 ALA 5 1.551 -6.203 -9.395 62 H ALA 6 H ALA 6 -0.521 -5.200 -9.705 63 HA ALA 6 HA ALA 6 -1.649 -2.864 -10.892 64 HB1 ALA 6 HB1 ALA 6 -2.661 -4.111 -9.011 65 HB2 ALA 6 HB2 ALA 6 -1.321 -3.610 -7.951 66 HB3 ALA 6 HB3 ALA 6 -2.438 -2.401 -8.614 67 HA PRO 7 HA PRO 7 1.687 -0.044 -10.750 68 HB2 PRO 7 HB2 PRO 7 0.495 2.425 -10.493 69 HB3 PRO 7 HB3 PRO 7 0.376 1.410 -11.961 70 HG2 PRO 7 HG2 PRO 7 -1.611 1.604 -9.669 71 HG3 PRO 7 HG3 PRO 7 -1.938 1.736 -11.430 72 HD2 PRO 7 HD2 PRO 7 -2.311 -0.599 -10.123 73 HD3 PRO 7 HD3 PRO 7 -1.583 -0.591 -11.759 74 H TRP 8 H TRP 8 -0.395 -0.090 -7.932 75 HA TRP 8 HA TRP 8 1.516 1.379 -6.236 76 HB2 TRP 8 HB2 TRP 8 -0.236 0.577 -4.465 77 HB3 TRP 8 HB3 TRP 8 -0.572 1.889 -5.553 78 HD1 TRP 8 HD1 TRP 8 -2.538 1.662 -7.237 79 HE1 TRP 8 HE1 TRP 8 -4.437 -0.036 -7.572 80 HE3 TRP 8 HE3 TRP 8 -0.776 -2.116 -4.283 81 HZ2 TRP 8 HZ2 TRP 8 -5.135 -2.659 -6.623 82 HZ3 TRP 8 HZ3 TRP 8 -2.106 -4.200 -3.970 83 HH2 TRP 8 HH2 TRP 8 -4.270 -4.489 -5.158 84 H TYR 9 H TYR 9 1.451 -1.868 -7.346 85 HA TYR 9 HA TYR 9 2.406 -2.948 -4.759 86 HB2 TYR 9 HB2 TYR 9 0.764 -4.187 -6.134 87 HB3 TYR 9 HB3 TYR 9 1.981 -4.368 -7.395 88 HD1 TYR 9 HD1 TYR 9 1.373 -5.003 -3.740 89 HD2 TYR 9 HD2 TYR 9 3.469 -6.237 -7.304 90 HE1 TYR 9 HE1 TYR 9 2.257 -6.985 -2.526 91 HE2 TYR 9 HE2 TYR 9 4.333 -8.239 -6.092 92 HH TYR 9 HH TYR 9 3.564 -8.864 -2.653 93 H HIS 10 H HIS 10 4.422 -3.251 -4.209 94 HA HIS 10 HA HIS 10 6.622 -2.979 -6.227 95 HB2 HIS 10 HB2 HIS 10 6.309 -1.803 -3.453 96 HB3 HIS 10 HB3 HIS 10 7.884 -1.972 -4.219 97 HD1 HIS 10 HD1 HIS 10 8.597 -0.103 -5.879 98 HD2 HIS 10 HD2 HIS 10 4.498 -0.180 -4.960 99 HE1 HIS 10 HE1 HIS 10 7.583 1.977 -6.957 100 H GLY 11 H GLY 11 5.275 -5.445 -4.639 101 HA2 GLY 11 HA2 GLY 11 6.090 -7.577 -4.161 102 HA3 GLY 11 HA3 GLY 11 7.607 -7.067 -4.868 103 HA PRO 12 HA PRO 12 8.470 -7.752 -0.397 104 HB2 PRO 12 HB2 PRO 12 10.829 -9.068 -0.556 105 HB3 PRO 12 HB3 PRO 12 9.287 -9.829 -1.036 106 HG2 PRO 12 HG2 PRO 12 11.304 -8.459 -2.852 107 HG3 PRO 12 HG3 PRO 12 10.603 -10.100 -3.028 108 HD2 PRO 12 HD2 PRO 12 9.576 -7.917 -4.319 109 HD3 PRO 12 HD3 PRO 12 8.528 -9.241 -3.730 110 H LEU 13 H LEU 13 8.538 -5.234 -1.154 111 HA LEU 13 HA LEU 13 11.142 -3.964 -0.867 112 HB2 LEU 13 HB2 LEU 13 8.976 -3.077 -2.042 113 HB3 LEU 13 HB3 LEU 13 8.427 -2.690 -0.417 114 HG LEU 13 HG LEU 13 10.507 -1.262 -0.137 115 HD11 LEU 13 HD11 LEU 13 11.937 -2.163 -1.910 116 HD12 LEU 13 HD12 LEU 13 10.700 -1.807 -3.136 117 HD13 LEU 13 HD13 LEU 13 11.542 -0.487 -2.313 118 HD21 LEU 13 HD21 LEU 13 8.618 -0.509 -2.402 119 HD22 LEU 13 HD22 LEU 13 8.281 -0.320 -0.670 120 HD23 LEU 13 HD23 LEU 13 9.588 0.607 -1.417 121 H SER 14 H SER 14 12.045 -3.071 0.997 122 HA SER 14 HA SER 14 10.922 -3.890 3.621 123 HB2 SER 14 HB2 SER 14 13.600 -2.672 2.862 124 HB3 SER 14 HB3 SER 14 13.117 -3.150 4.501 125 HG SER 14 HG SER 14 14.324 -4.788 3.400 126 H ARG 15 H ARG 15 10.902 -2.392 5.433 127 HA ARG 15 HA ARG 15 9.398 -0.034 5.082 128 HB2 ARG 15 HB2 ARG 15 11.232 -1.037 7.287 129 HB3 ARG 15 HB3 ARG 15 10.676 0.629 7.322 130 HG2 ARG 15 HG2 ARG 15 8.282 -0.244 7.094 131 HG3 ARG 15 HG3 ARG 15 8.958 -1.864 7.363 132 HD2 ARG 15 HD2 ARG 15 8.158 -0.946 9.478 133 HD3 ARG 15 HD3 ARG 15 9.933 -1.058 9.513 134 HE ARG 15 HE ARG 15 9.494 1.523 8.624 135 HH11 ARG 15 HH11 ARG 15 8.351 -0.076 11.540 136 HH12 ARG 15 HH12 ARG 15 8.371 1.423 12.428 137 HH21 ARG 15 HH21 ARG 15 9.591 3.227 9.731 138 HH22 ARG 15 HH22 ARG 15 9.055 3.322 11.411 139 H THR 16 H THR 16 12.939 -0.101 5.681 140 HA THR 16 HA THR 16 13.351 2.625 5.489 141 HB THR 16 HB THR 16 15.366 0.607 4.441 142 HG1 THR 16 HG1 THR 16 15.933 0.329 6.611 143 HG21 THR 16 HG21 THR 16 16.093 2.951 4.308 144 HG22 THR 16 HG22 THR 16 15.605 3.227 5.996 145 HG23 THR 16 HG23 THR 16 16.965 2.142 5.616 146 H ASP 17 H ASP 17 13.177 0.364 2.737 147 HA ASP 17 HA ASP 17 13.891 2.328 0.711 148 HB2 ASP 17 HB2 ASP 17 12.576 -0.411 0.625 149 HB3 ASP 17 HB3 ASP 17 12.902 0.546 -0.811 150 H ALA 18 H ALA 18 10.772 1.084 2.004 151 HA ALA 18 HA ALA 18 9.083 2.619 0.261 152 HB1 ALA 18 HB1 ALA 18 8.308 0.661 1.556 153 HB2 ALA 18 HB2 ALA 18 8.598 1.527 3.076 154 HB3 ALA 18 HB3 ALA 18 7.348 2.098 1.963 155 H GLU 19 H GLU 19 10.418 3.318 3.511 156 HA GLU 19 HA GLU 19 9.180 5.873 3.835 157 HB2 GLU 19 HB2 GLU 19 11.652 4.659 5.127 158 HB3 GLU 19 HB3 GLU 19 10.943 6.211 5.590 159 HG2 GLU 19 HG2 GLU 19 8.786 5.069 6.096 160 HG3 GLU 19 HG3 GLU 19 9.512 3.526 5.697 161 H ASN 20 H ASN 20 12.484 5.050 2.603 162 HA ASN 20 HA ASN 20 13.106 7.840 2.075 163 HB2 ASN 20 HB2 ASN 20 14.406 5.205 1.304 164 HB3 ASN 20 HB3 ASN 20 14.970 6.737 0.653 165 HD21 ASN 20 HD22 ASN 20 14.665 4.864 3.627 166 HD22 ASN 20 HD21 ASN 20 15.760 5.893 4.560 167 H SER 21 H SER 21 11.076 5.657 0.355 168 HA SER 21 HA SER 21 11.254 7.204 -2.170 169 HB2 SER 21 HB2 SER 21 9.299 5.029 -1.341 170 HB3 SER 21 HB3 SER 21 9.428 5.796 -2.933 171 HG SER 21 HG SER 21 11.329 4.158 -1.600 172 H LEU 22 H LEU 22 8.769 6.645 0.393 173 HA LEU 22 HA LEU 22 6.997 8.643 -0.698 174 HB2 LEU 22 HB2 LEU 22 7.060 6.801 1.645 175 HB3 LEU 22 HB3 LEU 22 6.044 8.215 1.795 176 HG LEU 22 HG LEU 22 4.695 7.632 -0.062 177 HD11 LEU 22 HD11 LEU 22 6.253 6.689 -1.671 178 HD12 LEU 22 HD12 LEU 22 6.603 5.322 -0.585 179 HD13 LEU 22 HD13 LEU 22 4.991 5.490 -1.320 180 HD21 LEU 22 HD21 LEU 22 5.278 5.085 1.509 181 HD22 LEU 22 HD22 LEU 22 4.466 6.507 2.185 182 HD23 LEU 22 HD23 LEU 22 3.725 5.627 0.827 183 H LEU 23 H LEU 23 9.536 8.915 1.793 184 HA LEU 23 HA LEU 23 8.647 11.401 2.870 185 HB2 LEU 23 HB2 LEU 23 10.308 9.883 3.893 186 HB3 LEU 23 HB3 LEU 23 11.451 10.249 2.597 187 HG LEU 23 HG LEU 23 11.579 12.605 3.381 188 HD11 LEU 23 HD11 LEU 23 9.359 12.890 4.410 189 HD12 LEU 23 HD12 LEU 23 9.738 11.647 5.624 190 HD13 LEU 23 HD13 LEU 23 10.619 13.191 5.607 191 HD21 LEU 23 HD21 LEU 23 12.031 10.544 5.575 192 HD22 LEU 23 HD22 LEU 23 13.145 10.909 4.238 193 HD23 LEU 23 HD23 LEU 23 12.798 12.144 5.457 194 H ARG 24 H ARG 24 10.244 10.689 -0.156 195 HA ARG 24 HA ARG 24 10.770 13.558 -0.779 196 HB2 ARG 24 HB2 ARG 24 11.381 10.958 -2.239 197 HB3 ARG 24 HB3 ARG 24 11.672 12.559 -2.929 198 HG2 ARG 24 HG2 ARG 24 13.167 13.153 -1.073 199 HG3 ARG 24 HG3 ARG 24 12.913 11.574 -0.316 200 HD2 ARG 24 HD2 ARG 24 14.059 11.972 -3.110 201 HD3 ARG 24 HD3 ARG 24 15.045 11.801 -1.648 202 HE ARG 24 HE ARG 24 13.511 9.578 -1.460 203 HH11 ARG 24 HH11 ARG 24 15.422 10.700 -4.186 204 HH12 ARG 24 HH12 ARG 24 15.666 9.076 -4.771 205 HH21 ARG 24 HH21 ARG 24 13.852 7.634 -2.210 206 HH22 ARG 24 HH22 ARG 24 14.783 7.345 -3.667 207 H MET 25 H MET 25 8.160 11.409 -1.083 208 HA MET 25 HA MET 25 7.011 12.764 -3.459 209 HB2 MET 25 HB2 MET 25 6.178 10.336 -1.832 210 HB3 MET 25 HB3 MET 25 5.201 11.005 -3.118 211 HG2 MET 25 HG2 MET 25 8.039 10.071 -3.469 212 HG3 MET 25 HG3 MET 25 6.639 9.086 -3.831 213 HE1 MET 25 HE1 MET 25 5.264 9.202 -6.060 214 HE2 MET 25 HE2 MET 25 4.594 10.707 -5.393 215 HE3 MET 25 HE3 MET 25 5.181 10.661 -7.068 216 HA PRO 26 HA PRO 26 4.233 15.260 -1.002 217 HB2 PRO 26 HB2 PRO 26 1.983 15.430 -2.531 218 HB3 PRO 26 HB3 PRO 26 3.535 16.201 -2.998 219 HG2 PRO 26 HG2 PRO 26 2.423 13.548 -3.908 220 HG3 PRO 26 HG3 PRO 26 3.096 14.863 -4.927 221 HD2 PRO 26 HD2 PRO 26 4.565 12.703 -4.177 222 HD3 PRO 26 HD3 PRO 26 5.326 14.301 -4.314 223 H GLU 27 H GLU 27 2.204 15.202 0.204 224 HA GLU 27 HA GLU 27 1.614 12.742 1.493 225 HB2 GLU 27 HB2 GLU 27 1.283 14.900 2.541 226 HB3 GLU 27 HB3 GLU 27 0.066 15.356 1.339 227 HG2 GLU 27 HG2 GLU 27 -1.491 13.695 2.179 228 HG3 GLU 27 HG3 GLU 27 -0.248 12.974 3.199 229 H GLY 28 H GLY 28 0.122 11.213 1.332 230 HA2 GLY 28 HA2 GLY 28 -1.785 10.091 0.538 231 HA3 GLY 28 HA3 GLY 28 -2.014 11.344 -0.682 232 H THR 29 H THR 29 1.213 10.432 -0.825 233 HA THR 29 HA THR 29 0.848 8.655 -3.141 234 HB THR 29 HB THR 29 3.484 9.355 -1.753 235 HG1 THR 29 HG1 THR 29 2.681 11.234 -2.543 236 HG21 THR 29 HG21 THR 29 3.579 7.353 -3.187 237 HG22 THR 29 HG22 THR 29 2.803 8.247 -4.514 238 HG23 THR 29 HG23 THR 29 4.412 8.712 -3.929 239 H PHE 30 H PHE 30 0.785 6.417 -3.017 240 HA PHE 30 HA PHE 30 1.696 5.160 -0.479 241 HB2 PHE 30 HB2 PHE 30 -0.330 3.950 -0.278 242 HB3 PHE 30 HB3 PHE 30 -0.724 5.648 -0.422 243 HD1 PHE 30 HD1 PHE 30 -1.812 6.515 -2.512 244 HD2 PHE 30 HD2 PHE 30 -0.918 2.349 -1.996 245 HE1 PHE 30 HE1 PHE 30 -3.243 5.969 -4.478 246 HE2 PHE 30 HE2 PHE 30 -2.430 1.785 -3.893 247 HZ PHE 30 HZ PHE 30 -3.501 3.598 -5.201 248 H LEU 31 H LEU 31 1.862 2.884 -0.500 249 HA LEU 31 HA LEU 31 2.096 1.499 -3.069 250 HB2 LEU 31 HB2 LEU 31 4.399 0.830 -2.821 251 HB3 LEU 31 HB3 LEU 31 4.279 2.568 -2.826 252 HG LEU 31 HG LEU 31 4.418 2.394 -0.217 253 HD11 LEU 31 HD11 LEU 31 4.245 -0.065 0.103 254 HD12 LEU 31 HD12 LEU 31 5.590 -0.320 -1.026 255 HD13 LEU 31 HD13 LEU 31 5.851 0.483 0.539 256 HD21 LEU 31 HD21 LEU 31 6.793 1.670 -1.977 257 HD22 LEU 31 HD22 LEU 31 6.146 3.298 -1.684 258 HD23 LEU 31 HD23 LEU 31 6.861 2.400 -0.353 259 H VAL 32 H VAL 32 2.278 -0.789 -2.841 260 HA VAL 32 HA VAL 32 1.734 -1.877 -0.132 261 HB VAL 32 HB VAL 32 0.505 -2.893 -2.699 262 HG11 VAL 32 HG11 VAL 32 0.950 -4.778 -1.207 263 HG12 VAL 32 HG12 VAL 32 0.253 -3.893 0.168 264 HG13 VAL 32 HG13 VAL 32 -0.773 -4.415 -1.184 265 HG21 VAL 32 HG21 VAL 32 -0.718 -1.526 -0.252 266 HG22 VAL 32 HG22 VAL 32 -0.616 -0.849 -1.890 267 HG23 VAL 32 HG23 VAL 32 -1.640 -2.256 -1.588 268 H ARG 33 H ARG 33 2.906 -3.556 0.481 269 HA ARG 33 HA ARG 33 4.803 -4.851 -1.424 270 HB2 ARG 33 HB2 ARG 33 6.663 -4.440 0.116 271 HB3 ARG 33 HB3 ARG 33 5.916 -2.918 -0.368 272 HG2 ARG 33 HG2 ARG 33 4.594 -3.051 1.857 273 HG3 ARG 33 HG3 ARG 33 5.691 -4.366 2.295 274 HD2 ARG 33 HD2 ARG 33 7.603 -2.687 1.852 275 HD3 ARG 33 HD3 ARG 33 6.362 -1.459 1.691 276 HE ARG 33 HE ARG 33 6.003 -1.474 3.981 277 HH11 ARG 33 HH11 ARG 33 8.169 -4.174 3.251 278 HH12 ARG 33 HH12 ARG 33 8.320 -4.582 4.952 279 HH21 ARG 33 HH21 ARG 33 6.313 -2.104 6.122 280 HH22 ARG 33 HH22 ARG 33 7.324 -3.484 6.464 281 H ASP 34 H ASP 34 5.686 -6.859 -0.700 282 HA ASP 34 HA ASP 34 3.914 -8.551 0.915 283 HB2 ASP 34 HB2 ASP 34 5.187 -9.484 -0.938 284 HB3 ASP 34 HB3 ASP 34 6.704 -8.969 -0.211 285 H SER 35 H SER 35 4.077 -9.071 3.096 286 HA SER 35 HA SER 35 5.248 -7.037 4.678 287 HB2 SER 35 HB2 SER 35 3.201 -8.252 5.329 288 HB3 SER 35 HB3 SER 35 4.178 -9.707 5.606 289 HG SER 35 HG SER 35 3.989 -7.344 7.096 290 H THR 36 H THR 36 7.022 -6.746 5.723 291 HA THR 36 HA THR 36 9.150 -8.779 5.921 292 HB THR 36 HB THR 36 10.371 -6.782 7.001 293 HG1 THR 36 HG1 THR 36 8.734 -5.411 7.474 294 HG21 THR 36 HG21 THR 36 10.739 -7.500 4.670 295 HG22 THR 36 HG22 THR 36 9.379 -6.495 4.133 296 HG23 THR 36 HG23 THR 36 10.830 -5.746 4.849 297 H SER 37 H SER 37 6.432 -8.125 7.712 298 HA SER 37 HA SER 37 7.737 -8.674 10.359 299 HB2 SER 37 HB2 SER 37 5.181 -7.159 9.738 300 HB3 SER 37 HB3 SER 37 5.871 -7.444 11.347 301 HG SER 37 HG SER 37 6.454 -5.384 10.524 302 H SER 38 H SER 38 5.006 -9.609 8.255 303 HA SER 38 HA SER 38 4.384 -11.883 10.111 304 HB2 SER 38 HB2 SER 38 2.404 -10.009 8.795 305 HB3 SER 38 HB3 SER 38 2.001 -11.471 9.718 306 HG SER 38 HG SER 38 3.011 -10.499 11.546 307 HA PRO 39 HA PRO 39 4.992 -13.923 6.122 308 HB2 PRO 39 HB2 PRO 39 3.983 -16.263 7.753 309 HB3 PRO 39 HB3 PRO 39 5.320 -16.212 6.558 310 HG2 PRO 39 HG2 PRO 39 5.884 -16.115 9.198 311 HG3 PRO 39 HG3 PRO 39 6.721 -14.991 8.077 312 HD2 PRO 39 HD2 PRO 39 4.339 -14.434 9.866 313 HD3 PRO 39 HD3 PRO 39 5.809 -13.448 9.592 314 H GLY 40 H GLY 40 3.683 -14.203 4.410 315 HA2 GLY 40 HA2 GLY 40 1.827 -14.669 3.117 316 HA3 GLY 40 HA3 GLY 40 0.946 -15.186 4.553 317 H ASP 41 H ASP 41 1.959 -12.131 5.380 318 HA ASP 41 HA ASP 41 -0.581 -10.864 4.454 319 HB2 ASP 41 HB2 ASP 41 1.421 -10.019 6.576 320 HB3 ASP 41 HB3 ASP 41 -0.022 -9.122 6.130 321 H TYR 42 H TYR 42 -0.559 -8.625 3.802 322 HA TYR 42 HA TYR 42 1.940 -7.708 2.435 323 HB2 TYR 42 HB2 TYR 42 -0.927 -7.040 1.702 324 HB3 TYR 42 HB3 TYR 42 0.523 -6.481 0.887 325 HD1 TYR 42 HD2 TYR 42 1.982 -8.167 -0.313 326 HD2 TYR 42 HD1 TYR 42 -1.911 -9.156 1.245 327 HE1 TYR 42 HE2 TYR 42 1.902 -10.189 -1.792 328 HE2 TYR 42 HE1 TYR 42 -1.994 -11.172 -0.226 329 HH TYR 42 HH TYR 42 0.689 -12.011 -2.454 330 H VAL 43 H VAL 43 2.042 -5.250 2.345 331 HA VAL 43 HA VAL 43 0.833 -3.930 4.746 332 HB VAL 43 HB VAL 43 3.756 -3.659 3.959 333 HG11 VAL 43 HG11 VAL 43 2.850 -1.628 5.039 334 HG12 VAL 43 HG12 VAL 43 2.197 -2.619 6.365 335 HG13 VAL 43 HG13 VAL 43 3.947 -2.477 6.132 336 HG21 VAL 43 HG21 VAL 43 2.525 -5.161 6.297 337 HG22 VAL 43 HG22 VAL 43 3.393 -5.869 4.924 338 HG23 VAL 43 HG23 VAL 43 4.263 -4.841 6.070 339 H LEU 44 H LEU 44 0.003 -2.015 4.342 340 HA LEU 44 HA LEU 44 0.417 -0.621 1.751 341 HB2 LEU 44 HB2 LEU 44 -1.909 -1.023 2.463 342 HB3 LEU 44 HB3 LEU 44 -1.587 -0.297 4.016 343 HG LEU 44 HG LEU 44 -1.284 1.897 2.994 344 HD11 LEU 44 HD11 LEU 44 -0.389 1.461 0.823 345 HD12 LEU 44 HD12 LEU 44 -1.829 0.530 0.348 346 HD13 LEU 44 HD13 LEU 44 -1.929 2.286 0.618 347 HD21 LEU 44 HD21 LEU 44 -3.815 0.511 1.995 348 HD22 LEU 44 HD22 LEU 44 -3.562 1.116 3.647 349 HD23 LEU 44 HD23 LEU 44 -3.617 2.250 2.289 350 H SER 45 H SER 45 1.869 1.001 1.726 351 HA SER 45 HA SER 45 2.540 2.400 4.282 352 HB2 SER 45 HB2 SER 45 4.416 2.012 1.942 353 HB3 SER 45 HB3 SER 45 4.778 2.783 3.493 354 HG SER 45 HG SER 45 4.031 0.059 3.069 355 H CYS 46 H CYS 46 2.321 4.605 4.292 356 HA CYS 46 HA CYS 46 1.562 5.978 1.735 357 HB2 CYS 46 HB2 CYS 46 0.048 6.066 4.378 358 HB3 CYS 46 HB3 CYS 46 -0.315 7.043 2.949 359 HG CYS 46 HG CYS 46 -0.306 3.746 3.235 360 H SER 47 H SER 47 2.129 8.177 1.546 361 HA SER 47 HA SER 47 3.779 9.366 3.653 362 HB2 SER 47 HB2 SER 47 3.833 11.272 2.081 363 HB3 SER 47 HB3 SER 47 4.484 9.775 1.411 364 HG SER 47 HG SER 47 2.989 11.067 0.061 365 H GLU 48 H GLU 48 2.848 10.182 5.336 366 HA GLU 48 HA GLU 48 0.312 11.781 5.132 367 HB2 GLU 48 HB2 GLU 48 0.771 9.395 6.963 368 HB3 GLU 48 HB3 GLU 48 -0.415 10.626 7.263 369 HG2 GLU 48 HG2 GLU 48 -1.468 10.130 5.023 370 HG3 GLU 48 HG3 GLU 48 -0.361 8.760 4.865 371 H ASN 49 H ASN 49 0.293 13.599 6.339 372 HA ASN 49 HA ASN 49 0.836 15.186 7.794 373 HB2 ASN 49 HB2 ASN 49 -0.358 13.428 9.152 374 HB3 ASN 49 HB3 ASN 49 1.209 12.913 9.769 375 HD21 ASN 49 HD22 ASN 49 -0.057 13.468 11.818 376 HD22 ASN 49 HD21 ASN 49 0.071 15.131 12.379 377 H GLY 50 H GLY 50 2.993 14.626 6.185 378 HA2 GLY 50 HA2 GLY 50 5.179 15.331 5.952 379 HA3 GLY 50 HA3 GLY 50 5.149 15.857 7.636 380 H LYS 51 H LYS 51 4.325 12.580 7.435 381 HA LYS 51 HA LYS 51 7.105 11.523 7.638 382 HB2 LYS 51 HB2 LYS 51 6.468 10.157 9.560 383 HB3 LYS 51 HB3 LYS 51 6.280 11.864 9.925 384 HG2 LYS 51 HG2 LYS 51 3.864 11.732 9.676 385 HG3 LYS 51 HG3 LYS 51 3.965 10.048 9.110 386 HD2 LYS 51 HD2 LYS 51 4.821 9.355 11.317 387 HD3 LYS 51 HD3 LYS 51 4.762 11.044 11.878 388 HE2 LYS 51 HE2 LYS 51 2.316 11.101 11.431 389 HE3 LYS 51 HE3 LYS 51 2.368 9.424 10.877 390 HZ1 LYS 51 HZ1 LYS 51 3.057 8.768 13.119 391 HZ2 LYS 51 HZ2 LYS 51 3.049 10.321 13.630 392 HZ3 LYS 51 HZ3 LYS 51 1.648 9.600 13.198 393 H VAL 52 H VAL 52 6.622 8.914 7.939 394 HA VAL 52 HA VAL 52 4.780 8.100 5.732 395 HB VAL 52 HB VAL 52 7.509 6.908 6.289 396 HG11 VAL 52 HG11 VAL 52 5.967 5.157 5.557 397 HG12 VAL 52 HG12 VAL 52 5.344 6.194 4.261 398 HG13 VAL 52 HG13 VAL 52 7.003 5.579 4.196 399 HG21 VAL 52 HG21 VAL 52 6.443 8.624 4.011 400 HG22 VAL 52 HG22 VAL 52 7.770 9.015 5.119 401 HG23 VAL 52 HG23 VAL 52 7.976 7.728 3.937 402 H THR 53 H THR 53 3.389 6.564 6.177 403 HA THR 53 HA THR 53 3.419 5.245 8.862 404 HB THR 53 HB THR 53 0.936 5.199 8.570 405 HG1 THR 53 HG1 THR 53 0.124 6.715 6.989 406 HG21 THR 53 HG21 THR 53 2.014 6.979 9.915 407 HG22 THR 53 HG22 THR 53 2.155 7.996 8.463 408 HG23 THR 53 HG23 THR 53 0.553 7.559 9.097 409 H HIS 54 H HIS 54 2.425 3.129 8.999 410 HA HIS 54 HA HIS 54 2.382 1.515 6.501 411 HB2 HIS 54 HB2 HIS 54 3.921 0.703 8.990 412 HB3 HIS 54 HB3 HIS 54 3.794 -0.186 7.478 413 HD1 HIS 54 HD1 HIS 54 5.109 1.123 5.294 414 HD2 HIS 54 HD2 HIS 54 5.911 2.372 9.237 415 HE1 HIS 54 HE1 HIS 54 7.322 2.380 5.217 416 H TYR 55 H TYR 55 0.833 0.011 6.471 417 HA TYR 55 HA TYR 55 -0.661 -0.760 8.953 418 HB2 TYR 55 HB2 TYR 55 -1.867 0.038 6.272 419 HB3 TYR 55 HB3 TYR 55 -2.735 -0.345 7.753 420 HD1 TYR 55 HD1 TYR 55 -2.415 1.228 9.789 421 HD2 TYR 55 HD2 TYR 55 -1.185 2.253 5.782 422 HE1 TYR 55 HE1 TYR 55 -2.349 3.642 10.418 423 HE2 TYR 55 HE2 TYR 55 -1.143 4.657 6.402 424 HH TYR 55 HH TYR 55 -1.591 6.230 8.071 425 H LYS 56 H LYS 56 -1.036 -3.012 9.048 426 HA LYS 56 HA LYS 56 -0.170 -4.621 6.764 427 HB2 LYS 56 HB2 LYS 56 -1.480 -5.542 9.343 428 HB3 LYS 56 HB3 LYS 56 -0.917 -6.581 8.027 429 HG2 LYS 56 HG2 LYS 56 1.366 -5.280 8.347 430 HG3 LYS 56 HG3 LYS 56 0.720 -4.936 9.949 431 HD2 LYS 56 HD2 LYS 56 1.217 -7.694 8.709 432 HD3 LYS 56 HD3 LYS 56 2.186 -6.894 9.935 433 HE2 LYS 56 HE2 LYS 56 1.035 -8.235 11.320 434 HE3 LYS 56 HE3 LYS 56 -0.089 -6.876 11.319 435 HZ1 LYS 56 HZ1 LYS 56 -1.417 -8.116 9.638 436 HZ2 LYS 56 HZ2 LYS 56 -0.325 -9.330 9.616 437 HZ3 LYS 56 HZ3 LYS 56 -1.189 -9.034 10.964 438 H LEU 57 H LEU 57 -1.184 -5.548 5.279 439 HA LEU 57 HA LEU 57 -4.164 -5.512 4.994 440 HB2 LEU 57 HB2 LEU 57 -1.825 -5.700 3.071 441 HB3 LEU 57 HB3 LEU 57 -3.443 -6.187 2.578 442 HG LEU 57 HG LEU 57 -2.974 -3.431 3.732 443 HD11 LEU 57 HD11 LEU 57 -1.305 -3.485 2.049 444 HD12 LEU 57 HD12 LEU 57 -2.308 -4.408 0.940 445 HD13 LEU 57 HD13 LEU 57 -2.701 -2.716 1.265 446 HD21 LEU 57 HD21 LEU 57 -4.873 -4.477 1.595 447 HD22 LEU 57 HD22 LEU 57 -5.303 -4.249 3.304 448 HD23 LEU 57 HD23 LEU 57 -4.876 -2.848 2.306 449 H SER 58 H SER 58 -4.241 -7.100 6.612 450 HA SER 58 HA SER 58 -2.580 -9.455 6.629 451 HB2 SER 58 HB2 SER 58 -5.062 -8.786 8.237 452 HB3 SER 58 HB3 SER 58 -3.893 -10.059 8.615 453 HG SER 58 HG SER 58 -3.760 -7.798 9.623 454 H ALA 59 H ALA 59 -3.047 -11.566 6.068 455 HA ALA 59 HA ALA 59 -5.398 -12.041 4.360 456 HB1 ALA 59 HB1 ALA 59 -3.216 -12.925 3.705 457 HB2 ALA 59 HB2 ALA 59 -3.113 -13.858 5.215 458 HB3 ALA 59 HB3 ALA 59 -4.362 -14.244 4.009 459 H GLU 60 H GLU 60 -7.294 -12.745 5.061 460 HA GLU 60 HA GLU 60 -7.531 -14.437 7.519 461 HB2 GLU 60 HB2 GLU 60 -7.927 -12.024 8.046 462 HB3 GLU 60 HB3 GLU 60 -9.239 -11.996 6.863 463 HG2 GLU 60 HG2 GLU 60 -10.370 -13.840 8.175 464 HG3 GLU 60 HG3 GLU 60 -9.083 -13.721 9.377 465 H GLU 61 H GLU 61 -8.254 -16.342 6.673 466 HA GLU 61 HA GLU 61 -9.216 -17.841 5.315 467 HB2 GLU 61 HB2 GLU 61 -10.897 -16.895 7.035 468 HB3 GLU 61 HB3 GLU 61 -11.727 -16.201 5.651 469 HG2 GLU 61 HG2 GLU 61 -12.716 -18.293 6.338 470 HG3 GLU 61 HG3 GLU 61 -12.060 -18.481 4.717 471 H GLY 62 H GLY 62 -7.951 -15.905 3.799 472 HA2 GLY 62 HA2 GLY 62 -7.530 -15.746 1.484 473 HA3 GLY 62 HA3 GLY 62 -9.152 -16.333 1.132 474 H LYS 63 H LYS 63 -9.685 -13.942 3.327 475 HA LYS 63 HA LYS 63 -10.006 -11.745 1.320 476 HB2 LYS 63 HB2 LYS 63 -11.329 -12.315 4.004 477 HB3 LYS 63 HB3 LYS 63 -11.481 -10.778 3.169 478 HG2 LYS 63 HG2 LYS 63 -12.362 -11.999 1.147 479 HG3 LYS 63 HG3 LYS 63 -12.348 -13.495 2.101 480 HD2 LYS 63 HD2 LYS 63 -13.896 -12.455 3.741 481 HD3 LYS 63 HD3 LYS 63 -13.918 -10.964 2.773 482 HE2 LYS 63 HE2 LYS 63 -14.824 -12.234 0.841 483 HE3 LYS 63 HE3 LYS 63 -14.781 -13.724 1.790 484 HZ1 LYS 63 HZ1 LYS 63 -16.397 -12.724 3.317 485 HZ2 LYS 63 HZ2 LYS 63 -16.440 -11.344 2.441 486 HZ3 LYS 63 HZ3 LYS 63 -16.997 -12.737 1.802 487 H ILE 64 H ILE 64 -9.739 -9.543 2.258 488 HA ILE 64 HA ILE 64 -7.070 -9.334 3.602 489 HB ILE 64 HB ILE 64 -8.530 -7.564 1.621 490 HG12 ILE 64 HG12 ILE 64 -7.362 -9.471 0.604 491 HG13 ILE 64 HG13 ILE 64 -6.659 -7.937 0.150 492 HG21 ILE 64 HG21 ILE 64 -7.513 -6.016 3.158 493 HG22 ILE 64 HG22 ILE 64 -5.984 -6.918 3.158 494 HG23 ILE 64 HG23 ILE 64 -6.544 -6.067 1.695 495 HD11 ILE 64 HD11 ILE 64 -4.785 -8.301 1.768 496 HD12 ILE 64 HD12 ILE 64 -5.483 -9.885 2.186 497 HD13 ILE 64 HD13 ILE 64 -4.902 -9.573 0.544 498 H ARG 65 H ARG 65 -7.118 -8.762 5.642 499 HA ARG 65 HA ARG 65 -9.246 -6.938 6.695 500 HB2 ARG 65 HB2 ARG 65 -9.027 -9.134 7.834 501 HB3 ARG 65 HB3 ARG 65 -7.331 -8.807 8.136 502 HG2 ARG 65 HG2 ARG 65 -8.378 -8.346 10.182 503 HG3 ARG 65 HG3 ARG 65 -8.054 -6.767 9.500 504 HD2 ARG 65 HD2 ARG 65 -10.224 -6.640 10.418 505 HD3 ARG 65 HD3 ARG 65 -10.491 -6.757 8.671 506 HE ARG 65 HE ARG 65 -10.507 -9.397 9.703 507 HH11 ARG 65 HH11 ARG 65 -12.562 -6.554 10.294 508 HH12 ARG 65 HH12 ARG 65 -13.928 -7.572 10.627 509 HH21 ARG 65 HH21 ARG 65 -12.317 -10.545 10.006 510 HH22 ARG 65 HH22 ARG 65 -13.797 -9.755 10.512 511 H ILE 66 H ILE 66 -8.700 -4.882 7.148 512 HA ILE 66 HA ILE 66 -5.911 -4.241 7.926 513 HB ILE 66 HB ILE 66 -5.803 -3.803 5.631 514 HG12 ILE 66 HG12 ILE 66 -6.223 -1.077 6.893 515 HG13 ILE 66 HG13 ILE 66 -4.875 -2.118 7.342 516 HG21 ILE 66 HG21 ILE 66 -8.200 -3.630 5.057 517 HG22 ILE 66 HG22 ILE 66 -8.260 -2.022 5.815 518 HG23 ILE 66 HG23 ILE 66 -7.265 -2.311 4.370 519 HD11 ILE 66 HD11 ILE 66 -3.962 -2.055 5.117 520 HD12 ILE 66 HD12 ILE 66 -5.355 -1.144 4.494 521 HD13 ILE 66 HD13 ILE 66 -4.259 -0.401 5.666 522 H ASP 67 H ASP 67 -5.762 -3.069 9.606 523 HA ASP 67 HA ASP 67 -6.244 -2.145 11.569 524 HB2 ASP 67 HB2 ASP 67 -6.458 -0.110 10.223 525 HB3 ASP 67 HB3 ASP 67 -8.193 -0.381 10.062 526 H THR 68 H THR 68 -9.526 -2.100 10.241 527 HA THR 68 HA THR 68 -10.355 -4.369 11.928 528 HB THR 68 HB THR 68 -10.775 -2.329 13.283 529 HG1 THR 68 HG1 THR 68 -13.004 -3.872 12.463 530 HG21 THR 68 HG21 THR 68 -11.464 -0.805 11.467 531 HG22 THR 68 HG22 THR 68 -12.939 -1.764 11.221 532 HG23 THR 68 HG23 THR 68 -12.674 -0.910 12.759 533 H HIS 69 H HIS 69 -10.446 -2.832 8.914 534 HA HIS 69 HA HIS 69 -13.190 -3.551 8.173 535 HB2 HIS 69 HB2 HIS 69 -10.965 -2.125 6.665 536 HB3 HIS 69 HB3 HIS 69 -12.652 -2.270 6.155 537 HD1 HIS 69 HD1 HIS 69 -14.442 -0.696 7.514 538 HD2 HIS 69 HD2 HIS 69 -10.369 -0.262 8.475 539 HE1 HIS 69 HE1 HIS 69 -14.251 1.456 8.870 540 H LEU 70 H LEU 70 -13.677 -5.128 6.766 541 HA LEU 70 HA LEU 70 -11.498 -6.881 5.733 542 HB2 LEU 70 HB2 LEU 70 -13.066 -7.826 7.494 543 HB3 LEU 70 HB3 LEU 70 -14.365 -7.669 6.315 544 HG LEU 70 HG LEU 70 -12.973 -9.185 4.766 545 HD11 LEU 70 HD11 LEU 70 -10.782 -8.919 5.979 546 HD12 LEU 70 HD12 LEU 70 -11.480 -9.770 7.362 547 HD13 LEU 70 HD13 LEU 70 -11.276 -10.609 5.817 548 HD21 LEU 70 HD21 LEU 70 -13.894 -10.306 7.443 549 HD22 LEU 70 HD22 LEU 70 -14.915 -10.016 6.016 550 HD23 LEU 70 HD23 LEU 70 -13.637 -11.242 5.956 551 H PHE 71 H PHE 71 -11.318 -7.275 3.637 552 HA PHE 71 HA PHE 71 -13.441 -6.437 1.706 553 HB2 PHE 71 HB2 PHE 71 -10.448 -5.945 1.472 554 HB3 PHE 71 HB3 PHE 71 -11.676 -5.518 0.292 555 HD1 PHE 71 HD2 PHE 71 -13.468 -3.784 0.954 556 HD2 PHE 71 HD1 PHE 71 -9.922 -4.507 3.304 557 HE1 PHE 71 HE2 PHE 71 -13.830 -1.645 2.166 558 HE2 PHE 71 HE1 PHE 71 -10.259 -2.338 4.465 559 HZ PHE 71 HZ PHE 71 -12.229 -0.935 3.934 560 H ASP 72 H ASP 72 -13.386 -7.466 -0.344 561 HA ASP 72 HA ASP 72 -12.746 -10.238 -0.326 562 HB2 ASP 72 HB2 ASP 72 -14.533 -9.271 -1.680 563 HB3 ASP 72 HB3 ASP 72 -13.379 -8.291 -2.576 564 H ASN 73 H ASN 73 -10.907 -7.453 -1.504 565 HA ASN 73 HA ASN 73 -8.485 -9.038 -1.980 566 HB2 ASN 73 HB2 ASN 73 -8.349 -8.377 -4.376 567 HB3 ASN 73 HB3 ASN 73 -9.736 -9.407 -4.062 568 HD21 ASN 73 HD22 ASN 73 -11.805 -8.626 -4.598 569 HD22 ASN 73 HD21 ASN 73 -12.049 -6.977 -5.183 570 H LEU 74 H LEU 74 -6.726 -7.588 -2.925 571 HA LEU 74 HA LEU 74 -6.235 -5.411 -1.161 572 HB2 LEU 74 HB2 LEU 74 -4.924 -6.262 -3.769 573 HB3 LEU 74 HB3 LEU 74 -4.312 -4.973 -2.736 574 HG LEU 74 HG LEU 74 -4.566 -7.896 -1.935 575 HD11 LEU 74 HD11 LEU 74 -2.759 -7.412 -3.564 576 HD12 LEU 74 HD12 LEU 74 -2.136 -6.149 -2.477 577 HD13 LEU 74 HD13 LEU 74 -2.114 -7.851 -1.970 578 HD21 LEU 74 HD21 LEU 74 -3.482 -5.462 -0.479 579 HD22 LEU 74 HD22 LEU 74 -4.810 -6.501 0.062 580 HD23 LEU 74 HD23 LEU 74 -3.163 -7.136 0.039 581 H ASP 75 H ASP 75 -7.309 -5.342 -4.599 582 HA ASP 75 HA ASP 75 -7.018 -2.511 -4.916 583 HB2 ASP 75 HB2 ASP 75 -7.144 -4.146 -6.768 584 HB3 ASP 75 HB3 ASP 75 -8.830 -4.469 -6.378 585 H ALA 76 H ALA 76 -9.772 -4.472 -3.767 586 HA ALA 76 HA ALA 76 -11.631 -2.303 -3.478 587 HB1 ALA 76 HB1 ALA 76 -12.309 -4.658 -3.527 588 HB2 ALA 76 HB2 ALA 76 -11.417 -4.973 -2.024 589 HB3 ALA 76 HB3 ALA 76 -12.832 -3.898 -2.009 590 H ALA 77 H ALA 77 -9.161 -3.623 -1.220 591 HA ALA 77 HA ALA 77 -9.872 -1.927 0.994 592 HB1 ALA 77 HB1 ALA 77 -8.557 -4.045 1.152 593 HB2 ALA 77 HB2 ALA 77 -7.200 -3.247 0.333 594 HB3 ALA 77 HB3 ALA 77 -7.741 -2.669 1.920 595 H ILE 78 H ILE 78 -7.492 -1.525 -1.666 596 HA ILE 78 HA ILE 78 -6.529 1.079 -0.909 597 HB ILE 78 HB ILE 78 -6.773 -0.336 -3.591 598 HG12 ILE 78 HG12 ILE 78 -5.216 -1.471 -2.127 599 HG13 ILE 78 HG13 ILE 78 -4.349 -0.676 -3.418 600 HG21 ILE 78 HG21 ILE 78 -6.693 2.028 -4.111 601 HG22 ILE 78 HG22 ILE 78 -5.299 2.257 -3.038 602 HG23 ILE 78 HG23 ILE 78 -5.148 1.281 -4.505 603 HD11 ILE 78 HD11 ILE 78 -3.694 1.139 -1.806 604 HD12 ILE 78 HD12 ILE 78 -4.537 0.246 -0.516 605 HD13 ILE 78 HD13 ILE 78 -3.150 -0.476 -1.335 606 H THR 79 H THR 79 -9.147 0.169 -3.142 607 HA THR 79 HA THR 79 -10.078 2.754 -3.771 608 HB THR 79 HB THR 79 -11.732 0.206 -3.572 609 HG1 THR 79 HG1 THR 79 -10.101 -0.085 -4.999 610 HG21 THR 79 HG21 THR 79 -13.237 2.126 -3.785 611 HG22 THR 79 HG22 THR 79 -12.234 2.808 -5.085 612 HG23 THR 79 HG23 THR 79 -13.131 1.293 -5.339 613 H PHE 80 H PHE 80 -11.096 0.704 -0.970 614 HA PHE 80 HA PHE 80 -13.057 2.469 0.063 615 HB2 PHE 80 HB2 PHE 80 -12.705 0.198 0.873 616 HB3 PHE 80 HB3 PHE 80 -11.118 0.623 1.500 617 HD1 PHE 80 HD2 PHE 80 -14.781 1.143 1.938 618 HD2 PHE 80 HD1 PHE 80 -10.858 1.777 3.619 619 HE1 PHE 80 HE2 PHE 80 -15.812 1.820 4.097 620 HE2 PHE 80 HE1 PHE 80 -11.893 2.445 5.776 621 HZ PHE 80 HZ PHE 80 -14.368 2.473 6.016 622 H TYR 81 H TYR 81 -9.497 2.484 0.634 623 HA TYR 81 HA TYR 81 -9.706 4.948 2.186 624 HB2 TYR 81 HB2 TYR 81 -7.311 3.329 1.330 625 HB3 TYR 81 HB3 TYR 81 -7.239 4.783 2.328 626 HD1 TYR 81 HD1 TYR 81 -9.136 4.732 4.341 627 HD2 TYR 81 HD2 TYR 81 -7.067 1.362 2.609 628 HE1 TYR 81 HE1 TYR 81 -9.431 3.469 6.457 629 HE2 TYR 81 HE2 TYR 81 -7.367 0.101 4.737 630 HH TYR 81 HH TYR 81 -8.988 1.538 7.586 631 H MET 82 H MET 82 -9.997 4.574 -1.060 632 HA MET 82 HA MET 82 -8.802 7.247 -1.684 633 HB2 MET 82 HB2 MET 82 -10.215 5.185 -3.424 634 HB3 MET 82 HB3 MET 82 -9.798 6.810 -3.960 635 HG2 MET 82 HG2 MET 82 -7.445 6.416 -3.575 636 HG3 MET 82 HG3 MET 82 -7.770 4.806 -2.922 637 HE1 MET 82 HE1 MET 82 -5.762 5.824 -5.415 638 HE2 MET 82 HE2 MET 82 -5.747 4.256 -4.581 639 HE3 MET 82 HE3 MET 82 -5.863 4.317 -6.356 640 H GLU 83 H GLU 83 -11.924 5.569 -1.255 641 HA GLU 83 HA GLU 83 -13.551 7.962 -1.640 642 HB2 GLU 83 HB2 GLU 83 -14.128 5.211 -0.469 643 HB3 GLU 83 HB3 GLU 83 -15.351 6.455 -0.698 644 HG2 GLU 83 HG2 GLU 83 -13.691 5.236 -2.949 645 HG3 GLU 83 HG3 GLU 83 -15.309 4.729 -2.497 646 H HIS 84 H HIS 84 -12.033 6.425 1.154 647 HA HIS 84 HA HIS 84 -13.070 8.581 2.953 648 HB2 HIS 84 HB2 HIS 84 -12.562 5.668 3.664 649 HB3 HIS 84 HB3 HIS 84 -13.188 6.918 4.734 650 HD1 HIS 84 HD1 HIS 84 -15.746 7.907 3.910 651 HD2 HIS 84 HD2 HIS 84 -14.326 4.272 2.337 652 HE1 HIS 84 HE1 HIS 84 -17.773 6.716 2.923 653 H GLU 85 H GLU 85 -11.671 9.109 4.789 654 HA GLU 85 HA GLU 85 -8.825 9.111 4.110 655 HB2 GLU 85 HB2 GLU 85 -10.311 10.090 6.569 656 HB3 GLU 85 HB3 GLU 85 -8.573 10.290 6.287 657 HG2 GLU 85 HG2 GLU 85 -9.009 11.589 4.248 658 HG3 GLU 85 HG3 GLU 85 -10.749 11.378 4.443 659 H LEU 86 H LEU 86 -7.130 8.084 5.151 660 HA LEU 86 HA LEU 86 -7.761 5.451 6.247 661 HB2 LEU 86 HB2 LEU 86 -6.034 6.101 4.446 662 HB3 LEU 86 HB3 LEU 86 -5.015 6.659 5.758 663 HG LEU 86 HG LEU 86 -6.087 3.841 5.356 664 HD11 LEU 86 HD11 LEU 86 -4.366 4.495 3.738 665 HD12 LEU 86 HD12 LEU 86 -3.289 4.993 5.060 666 HD13 LEU 86 HD13 LEU 86 -3.735 3.285 4.863 667 HD21 LEU 86 HD21 LEU 86 -4.274 4.924 7.524 668 HD22 LEU 86 HD22 LEU 86 -5.818 4.059 7.720 669 HD23 LEU 86 HD23 LEU 86 -4.408 3.196 7.125 670 H GLU 87 H GLU 87 -5.511 8.004 7.294 671 HA GLU 87 HA GLU 87 -6.466 7.762 10.117 672 HB2 GLU 87 HB2 GLU 87 -4.522 6.204 9.814 673 HB3 GLU 87 HB3 GLU 87 -3.546 7.577 9.288 674 HG2 GLU 87 HG2 GLU 87 -2.994 7.147 11.559 675 HG3 GLU 87 HG3 GLU 87 -3.908 8.644 11.541 676 H TYR 88 H TYR 88 -4.061 9.443 8.037 677 HA TYR 88 HA TYR 88 -4.792 12.066 9.295 678 HB2 TYR 88 HB2 TYR 88 -2.335 11.187 7.790 679 HB3 TYR 88 HB3 TYR 88 -2.555 12.761 8.487 680 HD1 TYR 88 HD2 TYR 88 -2.813 12.956 11.055 681 HD2 TYR 88 HD1 TYR 88 -1.395 9.389 9.085 682 HE1 TYR 88 HE2 TYR 88 -1.737 12.208 13.177 683 HE2 TYR 88 HE1 TYR 88 -0.301 8.659 11.196 684 HH TYR 88 HH TYR 88 -0.492 10.589 14.209 685 H SER 89 H SER 89 -4.423 10.302 6.219 686 HA SER 89 HA SER 89 -6.182 12.260 4.903 687 HB2 SER 89 HB2 SER 89 -3.737 13.002 4.589 688 HB3 SER 89 HB3 SER 89 -3.530 11.549 3.592 689 HG SER 89 HG SER 89 -4.129 13.469 2.396 690 H SER 90 H SER 90 -6.465 11.505 2.487 691 HA SER 90 HA SER 90 -7.112 8.594 2.431 692 HB2 SER 90 HB2 SER 90 -8.407 9.160 0.410 693 HB3 SER 90 HB3 SER 90 -8.947 10.047 1.841 694 HG SER 90 HG SER 90 -8.773 11.424 0.029 695 H LEU 91 H LEU 91 -6.708 7.485 0.344 696 HA LEU 91 HA LEU 91 -3.943 7.748 -0.577 697 HB2 LEU 91 HB2 LEU 91 -6.240 6.057 -1.630 698 HB3 LEU 91 HB3 LEU 91 -4.549 5.881 -2.052 699 HG LEU 91 HG LEU 91 -5.889 5.266 0.592 700 HD11 LEU 91 HD11 LEU 91 -6.054 3.591 -1.258 701 HD12 LEU 91 HD12 LEU 91 -4.284 3.523 -1.314 702 HD13 LEU 91 HD13 LEU 91 -5.155 2.982 0.136 703 HD21 LEU 91 HD21 LEU 91 -2.928 5.209 -0.018 704 HD22 LEU 91 HD22 LEU 91 -3.740 6.229 1.191 705 HD23 LEU 91 HD23 LEU 91 -3.689 4.477 1.403 706 H LYS 92 H LYS 92 -3.245 8.976 -2.220 707 HA LYS 92 HA LYS 92 -5.243 10.237 -4.080 708 HB2 LYS 92 HB2 LYS 92 -2.504 11.278 -3.235 709 HB3 LYS 92 HB3 LYS 92 -3.643 12.082 -4.296 710 HG2 LYS 92 HG2 LYS 92 -4.068 11.496 -1.338 711 HG3 LYS 92 HG3 LYS 92 -3.710 13.057 -2.057 712 HD2 LYS 92 HD2 LYS 92 -6.273 11.442 -2.406 713 HD3 LYS 92 HD3 LYS 92 -6.051 12.879 -1.411 714 HE2 LYS 92 HE2 LYS 92 -5.510 14.210 -3.450 715 HE3 LYS 92 HE3 LYS 92 -5.781 12.775 -4.451 716 HZ1 LYS 92 HZ1 LYS 92 -8.088 12.738 -3.655 717 HZ2 LYS 92 HZ2 LYS 92 -7.837 14.066 -2.735 718 HZ3 LYS 92 HZ3 LYS 92 -7.763 14.174 -4.362 719 H GLN 93 H GLN 93 -1.990 8.740 -4.045 720 HA GLN 93 HA GLN 93 -2.407 7.929 -6.834 721 HB2 GLN 93 HB2 GLN 93 -0.379 8.999 -7.692 722 HB3 GLN 93 HB3 GLN 93 -1.537 10.194 -7.108 723 HG2 GLN 93 HG2 GLN 93 -0.212 10.364 -4.962 724 HG3 GLN 93 HG3 GLN 93 0.967 9.245 -5.645 725 HE21 GLN 93 HE22 GLN 93 2.143 11.356 -4.882 726 HE22 GLN 93 HE21 GLN 93 2.441 12.504 -6.197 727 HA PRO 94 HA PRO 94 0.347 4.618 -5.479 728 HB2 PRO 94 HB2 PRO 94 0.952 3.446 -7.847 729 HB3 PRO 94 HB3 PRO 94 -0.695 3.359 -7.153 730 HG2 PRO 94 HG2 PRO 94 0.294 5.288 -9.265 731 HG3 PRO 94 HG3 PRO 94 -1.176 4.259 -9.296 732 HD2 PRO 94 HD2 PRO 94 -1.250 6.866 -8.501 733 HD3 PRO 94 HD3 PRO 94 -2.292 5.626 -7.740 734 H LEU 95 H LEU 95 2.597 4.419 -5.232 735 HA LEU 95 HA LEU 95 4.352 6.515 -6.032 736 HB2 LEU 95 HB2 LEU 95 4.757 5.123 -4.067 737 HB3 LEU 95 HB3 LEU 95 4.885 3.683 -5.073 738 HG LEU 95 HG LEU 95 6.942 4.601 -6.131 739 HD11 LEU 95 HD11 LEU 95 6.577 7.043 -5.789 740 HD12 LEU 95 HD12 LEU 95 6.690 6.802 -4.035 741 HD13 LEU 95 HD13 LEU 95 8.102 6.519 -5.077 742 HD21 LEU 95 HD21 LEU 95 7.192 4.604 -3.121 743 HD22 LEU 95 HD22 LEU 95 7.021 3.130 -4.108 744 HD23 LEU 95 HD23 LEU 95 8.427 4.181 -4.325 745 H GLN 96 H GLN 96 5.811 6.754 -7.687 746 HA GLN 96 HA GLN 96 5.368 5.327 -10.161 747 HB2 GLN 96 HB2 GLN 96 6.942 6.890 -11.123 748 HB3 GLN 96 HB3 GLN 96 5.749 7.695 -10.129 749 HG2 GLN 96 HG2 GLN 96 7.711 8.829 -9.616 750 HG3 GLN 96 HG3 GLN 96 7.502 7.762 -8.243 751 HE21 GLN 96 HE22 GLN 96 9.849 8.169 -7.862 752 HE22 GLN 96 HE21 GLN 96 11.019 7.271 -8.817 753 H ARG 97 H ARG 97 6.835 4.104 -11.402 754 HA ARG 97 HA ARG 97 9.304 3.098 -10.179 755 HB2 ARG 97 HB2 ARG 97 8.763 0.797 -10.334 756 HB3 ARG 97 HB3 ARG 97 7.549 1.574 -9.341 757 HG2 ARG 97 HG2 ARG 97 6.645 1.463 -12.139 758 HG3 ARG 97 HG3 ARG 97 7.196 -0.115 -11.600 759 HD2 ARG 97 HD2 ARG 97 4.881 -0.061 -11.124 760 HD3 ARG 97 HD3 ARG 97 5.699 0.108 -9.576 761 HE ARG 97 HE ARG 97 4.722 2.178 -9.305 762 HH11 ARG 97 HH11 ARG 97 4.330 1.381 -12.708 763 HH12 ARG 97 HH12 ARG 97 3.233 2.710 -12.958 764 HH21 ARG 97 HH21 ARG 97 3.411 3.788 -9.693 765 HH22 ARG 97 HH22 ARG 97 2.716 4.071 -11.285 Start of MODEL 19 1 H1 GLY -6 H1 GLY -6 20.785 -13.762 -7.465 2 H2 GLY -6 H2 GLY -6 21.494 -14.205 -8.873 3 H3 GLY -6 H3 GLY -6 22.366 -13.419 -7.729 4 HA2 GLY -6 HA2 GLY -6 21.060 -11.425 -7.986 5 HA3 GLY -6 HA3 GLY -6 21.803 -11.911 -9.520 6 H SER -5 H SER -5 20.247 -10.952 -10.847 7 HA SER -5 HA SER -5 17.391 -11.542 -10.565 8 HB2 SER -5 HB2 SER -5 17.211 -10.082 -12.566 9 HB3 SER -5 HB3 SER -5 18.065 -9.330 -11.207 10 HG SER -5 HG SER -5 19.160 -9.010 -13.211 11 H SER -4 H SER -4 20.008 -13.114 -12.168 12 HA SER -4 HA SER -4 18.626 -14.192 -14.438 13 HB2 SER -4 HB2 SER -4 20.511 -15.886 -14.387 14 HB3 SER -4 HB3 SER -4 20.965 -14.183 -14.539 15 HG SER -4 HG SER -4 22.256 -15.312 -12.999 16 H GLY -3 H GLY -3 17.237 -15.799 -14.640 17 HA2 GLY -3 HA2 GLY -3 15.934 -17.643 -14.207 18 HA3 GLY -3 HA3 GLY -3 16.985 -18.059 -12.855 19 H SER -2 H SER -2 16.029 -14.966 -12.132 20 HA SER -2 HA SER -2 13.584 -15.838 -10.633 21 HB2 SER -2 HB2 SER -2 14.306 -14.339 -8.848 22 HB3 SER -2 HB3 SER -2 15.530 -15.573 -9.197 23 HG SER -2 HG SER -2 16.574 -13.602 -9.053 24 H SER -1 H SER -1 14.985 -13.245 -12.605 25 HA SER -1 HA SER -1 12.768 -11.413 -12.323 26 HB2 SER -1 HB2 SER -1 15.069 -10.815 -13.095 27 HB3 SER -1 HB3 SER -1 14.737 -11.653 -14.624 28 HG SER -1 HG SER -1 14.294 -9.380 -14.710 29 H GLY 0 H GLY 0 11.228 -10.848 -14.011 30 HA2 GLY 0 HA2 GLY 0 10.453 -12.502 -16.183 31 HA3 GLY 0 HA3 GLY 0 9.585 -13.055 -14.749 32 H MET 1 H MET 1 7.650 -12.446 -15.880 33 HA MET 1 HA MET 1 7.144 -9.699 -16.669 34 HB2 MET 1 HB2 MET 1 5.302 -12.110 -16.575 35 HB3 MET 1 HB3 MET 1 4.921 -10.553 -17.325 36 HG2 MET 1 HG2 MET 1 6.874 -10.799 -18.831 37 HG3 MET 1 HG3 MET 1 7.173 -12.409 -18.179 38 HE1 MET 1 HE1 MET 1 5.716 -14.520 -18.621 39 HE2 MET 1 HE2 MET 1 4.279 -13.749 -17.903 40 HE3 MET 1 HE3 MET 1 4.171 -14.516 -19.500 41 H ALA 2 H ALA 2 7.735 -9.852 -13.853 42 HA ALA 2 HA ALA 2 5.374 -9.695 -12.244 43 HB1 ALA 2 HB1 ALA 2 7.622 -10.236 -11.373 44 HB2 ALA 2 HB2 ALA 2 8.177 -8.592 -11.773 45 HB3 ALA 2 HB3 ALA 2 6.929 -8.837 -10.531 46 H GLU 3 H GLU 3 6.677 -7.407 -14.420 47 HA GLU 3 HA GLU 3 5.527 -5.018 -13.246 48 HB2 GLU 3 HB2 GLU 3 6.527 -5.702 -16.038 49 HB3 GLU 3 HB3 GLU 3 5.865 -4.120 -15.648 50 HG2 GLU 3 HG2 GLU 3 8.294 -5.396 -14.333 51 HG3 GLU 3 HG3 GLU 3 8.316 -4.122 -15.548 52 H ALA 4 H ALA 4 3.996 -7.659 -14.653 53 HA ALA 4 HA ALA 4 1.669 -6.178 -15.620 54 HB1 ALA 4 HB1 ALA 4 2.394 -8.312 -16.664 55 HB2 ALA 4 HB2 ALA 4 2.051 -9.161 -15.135 56 HB3 ALA 4 HB3 ALA 4 0.731 -8.404 -16.053 57 H ALA 5 H ALA 5 2.741 -6.649 -12.598 58 HA ALA 5 HA ALA 5 0.192 -7.062 -11.196 59 HB1 ALA 5 HB1 ALA 5 2.335 -7.813 -10.210 60 HB2 ALA 5 HB2 ALA 5 2.907 -6.129 -10.171 61 HB3 ALA 5 HB3 ALA 5 1.521 -6.622 -9.177 62 H ALA 6 H ALA 6 -0.852 -5.462 -9.899 63 HA ALA 6 HA ALA 6 -1.501 -3.039 -11.076 64 HB1 ALA 6 HB1 ALA 6 -2.806 -4.190 -9.318 65 HB2 ALA 6 HB2 ALA 6 -1.568 -3.767 -8.111 66 HB3 ALA 6 HB3 ALA 6 -2.522 -2.493 -8.899 67 HA PRO 7 HA PRO 7 1.945 -0.458 -10.746 68 HB2 PRO 7 HB2 PRO 7 0.927 2.100 -10.431 69 HB3 PRO 7 HB3 PRO 7 0.858 1.152 -11.946 70 HG2 PRO 7 HG2 PRO 7 -1.289 1.413 -9.816 71 HG3 PRO 7 HG3 PRO 7 -1.462 1.598 -11.592 72 HD2 PRO 7 HD2 PRO 7 -2.100 -0.728 -10.394 73 HD3 PRO 7 HD3 PRO 7 -1.210 -0.745 -11.948 74 H TRP 8 H TRP 8 -0.301 -0.074 -8.028 75 HA TRP 8 HA TRP 8 1.610 1.219 -6.263 76 HB2 TRP 8 HB2 TRP 8 -0.229 0.554 -4.552 77 HB3 TRP 8 HB3 TRP 8 -0.542 1.783 -5.742 78 HD1 TRP 8 HD1 TRP 8 -2.449 1.416 -7.462 79 HE1 TRP 8 HE1 TRP 8 -4.330 -0.309 -7.720 80 HE3 TRP 8 HE3 TRP 8 -0.738 -2.132 -4.209 81 HZ2 TRP 8 HZ2 TRP 8 -5.014 -2.886 -6.647 82 HZ3 TRP 8 HZ3 TRP 8 -2.047 -4.212 -3.810 83 HH2 TRP 8 HH2 TRP 8 -4.168 -4.609 -5.052 84 H TYR 9 H TYR 9 1.423 -2.089 -7.231 85 HA TYR 9 HA TYR 9 2.370 -3.101 -4.629 86 HB2 TYR 9 HB2 TYR 9 0.834 -4.416 -6.054 87 HB3 TYR 9 HB3 TYR 9 2.086 -4.520 -7.289 88 HD1 TYR 9 HD2 TYR 9 1.548 -5.179 -3.615 89 HD2 TYR 9 HD1 TYR 9 3.537 -6.402 -7.246 90 HE1 TYR 9 HE2 TYR 9 2.442 -7.192 -2.453 91 HE2 TYR 9 HE1 TYR 9 4.393 -8.429 -6.092 92 HH TYR 9 HH TYR 9 4.434 -9.643 -4.145 93 H HIS 10 H HIS 10 4.399 -3.381 -4.038 94 HA HIS 10 HA HIS 10 6.626 -3.027 -6.015 95 HB2 HIS 10 HB2 HIS 10 6.199 -1.870 -3.256 96 HB3 HIS 10 HB3 HIS 10 7.819 -2.069 -3.907 97 HD1 HIS 10 HD1 HIS 10 8.689 -0.215 -5.490 98 HD2 HIS 10 HD2 HIS 10 4.520 -0.249 -4.949 99 HE1 HIS 10 HE1 HIS 10 7.795 1.855 -6.684 100 H GLY 11 H GLY 11 5.291 -5.533 -4.449 101 HA2 GLY 11 HA2 GLY 11 6.132 -7.650 -3.950 102 HA3 GLY 11 HA3 GLY 11 7.645 -7.129 -4.665 103 HA PRO 12 HA PRO 12 8.470 -7.737 -0.162 104 HB2 PRO 12 HB2 PRO 12 10.822 -9.072 -0.275 105 HB3 PRO 12 HB3 PRO 12 9.280 -9.834 -0.749 106 HG2 PRO 12 HG2 PRO 12 11.319 -8.518 -2.581 107 HG3 PRO 12 HG3 PRO 12 10.606 -10.159 -2.725 108 HD2 PRO 12 HD2 PRO 12 9.606 -7.997 -4.073 109 HD3 PRO 12 HD3 PRO 12 8.544 -9.301 -3.462 110 H LEU 13 H LEU 13 8.550 -5.239 -0.933 111 HA LEU 13 HA LEU 13 11.166 -3.985 -0.710 112 HB2 LEU 13 HB2 LEU 13 9.012 -3.094 -1.876 113 HB3 LEU 13 HB3 LEU 13 8.466 -2.679 -0.256 114 HG LEU 13 HG LEU 13 10.546 -1.255 0.004 115 HD11 LEU 13 HD11 LEU 13 11.992 -2.192 -1.733 116 HD12 LEU 13 HD12 LEU 13 10.768 -1.867 -2.980 117 HD13 LEU 13 HD13 LEU 13 11.600 -0.528 -2.180 118 HD21 LEU 13 HD21 LEU 13 8.697 -0.526 -2.303 119 HD22 LEU 13 HD22 LEU 13 8.320 -0.322 -0.580 120 HD23 LEU 13 HD23 LEU 13 9.648 0.595 -1.307 121 H SER 14 H SER 14 12.132 -3.092 1.107 122 HA SER 14 HA SER 14 11.094 -3.843 3.773 123 HB2 SER 14 HB2 SER 14 13.696 -2.527 2.912 124 HB3 SER 14 HB3 SER 14 13.282 -3.000 4.571 125 HG SER 14 HG SER 14 14.524 -4.604 3.462 126 H ARG 15 H ARG 15 11.041 -2.310 5.549 127 HA ARG 15 HA ARG 15 9.454 -0.007 5.158 128 HB2 ARG 15 HB2 ARG 15 11.285 -0.944 7.390 129 HB3 ARG 15 HB3 ARG 15 10.707 0.714 7.403 130 HG2 ARG 15 HG2 ARG 15 8.329 -0.179 7.171 131 HG3 ARG 15 HG3 ARG 15 9.012 -1.797 7.433 132 HD2 ARG 15 HD2 ARG 15 8.204 -0.903 9.551 133 HD3 ARG 15 HD3 ARG 15 9.982 -0.989 9.588 134 HE ARG 15 HE ARG 15 9.522 1.588 8.718 135 HH11 ARG 15 HH11 ARG 15 8.349 -0.038 11.609 136 HH12 ARG 15 HH12 ARG 15 8.331 1.459 12.502 137 HH21 ARG 15 HH21 ARG 15 9.570 3.290 9.830 138 HH22 ARG 15 HH22 ARG 15 9.006 3.370 11.503 139 H THR 16 H THR 16 12.991 0.049 5.779 140 HA THR 16 HA THR 16 13.322 2.782 5.571 141 HB THR 16 HB THR 16 15.394 0.817 4.529 142 HG1 THR 16 HG1 THR 16 15.976 0.579 6.699 143 HG21 THR 16 HG21 THR 16 16.055 3.182 4.368 144 HG22 THR 16 HG22 THR 16 15.572 3.458 6.058 145 HG23 THR 16 HG23 THR 16 16.956 2.406 5.676 146 H ASP 17 H ASP 17 13.235 0.506 2.825 147 HA ASP 17 HA ASP 17 13.871 2.471 0.784 148 HB2 ASP 17 HB2 ASP 17 12.589 -0.285 0.738 149 HB3 ASP 17 HB3 ASP 17 12.850 0.671 -0.710 150 H ALA 18 H ALA 18 10.774 1.133 2.058 151 HA ALA 18 HA ALA 18 9.056 2.645 0.340 152 HB1 ALA 18 HB1 ALA 18 8.343 0.647 1.617 153 HB2 ALA 18 HB2 ALA 18 8.584 1.518 3.142 154 HB3 ALA 18 HB3 ALA 18 7.324 2.048 2.017 155 H GLU 19 H GLU 19 10.375 3.370 3.586 156 HA GLU 19 HA GLU 19 9.025 5.863 3.949 157 HB2 GLU 19 HB2 GLU 19 11.557 4.751 5.204 158 HB3 GLU 19 HB3 GLU 19 10.798 6.276 5.677 159 HG2 GLU 19 HG2 GLU 19 8.684 5.051 6.195 160 HG3 GLU 19 HG3 GLU 19 9.473 3.536 5.801 161 H ASN 20 H ASN 20 12.337 5.196 2.643 162 HA ASN 20 HA ASN 20 12.884 8.002 2.166 163 HB2 ASN 20 HB2 ASN 20 14.118 5.401 1.196 164 HB3 ASN 20 HB3 ASN 20 14.594 6.944 0.496 165 HD21 ASN 20 HD22 ASN 20 14.612 5.063 3.494 166 HD22 ASN 20 HD21 ASN 20 15.803 6.094 4.296 167 H SER 21 H SER 21 11.287 5.505 0.171 168 HA SER 21 HA SER 21 11.153 7.075 -2.233 169 HB2 SER 21 HB2 SER 21 9.277 4.877 -1.270 170 HB3 SER 21 HB3 SER 21 9.355 5.555 -2.904 171 HG SER 21 HG SER 21 11.326 4.060 -1.515 172 H LEU 22 H LEU 22 8.795 6.727 0.475 173 HA LEU 22 HA LEU 22 6.946 8.608 -0.792 174 HB2 LEU 22 HB2 LEU 22 6.964 6.824 1.592 175 HB3 LEU 22 HB3 LEU 22 5.938 8.237 1.673 176 HG LEU 22 HG LEU 22 4.653 7.604 -0.201 177 HD11 LEU 22 HD11 LEU 22 6.238 6.637 -1.752 178 HD12 LEU 22 HD12 LEU 22 6.584 5.299 -0.625 179 HD13 LEU 22 HD13 LEU 22 4.987 5.434 -1.402 180 HD21 LEU 22 HD21 LEU 22 5.204 5.123 1.488 181 HD22 LEU 22 HD22 LEU 22 4.327 6.558 2.056 182 HD23 LEU 22 HD23 LEU 22 3.672 5.588 0.714 183 H LEU 23 H LEU 23 9.434 8.952 1.751 184 HA LEU 23 HA LEU 23 8.564 11.534 2.641 185 HB2 LEU 23 HB2 LEU 23 10.169 10.056 3.819 186 HB3 LEU 23 HB3 LEU 23 11.346 10.303 2.526 187 HG LEU 23 HG LEU 23 11.496 12.712 3.130 188 HD11 LEU 23 HD11 LEU 23 9.262 13.105 4.095 189 HD12 LEU 23 HD12 LEU 23 9.603 11.951 5.406 190 HD13 LEU 23 HD13 LEU 23 10.507 13.476 5.288 191 HD21 LEU 23 HD21 LEU 23 11.878 10.813 5.481 192 HD22 LEU 23 HD22 LEU 23 13.021 11.062 4.141 193 HD23 LEU 23 HD23 LEU 23 12.671 12.390 5.261 194 H ARG 24 H ARG 24 10.258 10.550 -0.246 195 HA ARG 24 HA ARG 24 10.961 13.246 -1.120 196 HB2 ARG 24 HB2 ARG 24 12.190 11.150 -1.727 197 HB3 ARG 24 HB3 ARG 24 10.775 10.601 -2.629 198 HG2 ARG 24 HG2 ARG 24 11.040 12.492 -4.215 199 HG3 ARG 24 HG3 ARG 24 12.382 13.120 -3.244 200 HD2 ARG 24 HD2 ARG 24 13.273 11.935 -5.155 201 HD3 ARG 24 HD3 ARG 24 13.653 11.031 -3.677 202 HE ARG 24 HE ARG 24 11.179 10.156 -4.960 203 HH11 ARG 24 HH11 ARG 24 14.650 9.701 -5.117 204 HH12 ARG 24 HH12 ARG 24 14.503 8.120 -5.834 205 HH21 ARG 24 HH21 ARG 24 11.062 8.137 -5.878 206 HH22 ARG 24 HH22 ARG 24 12.519 7.266 -6.254 207 H MET 25 H MET 25 8.052 11.388 -1.189 208 HA MET 25 HA MET 25 6.926 12.794 -3.541 209 HB2 MET 25 HB2 MET 25 6.104 10.326 -1.970 210 HB3 MET 25 HB3 MET 25 5.135 11.002 -3.261 211 HG2 MET 25 HG2 MET 25 8.003 10.147 -3.592 212 HG3 MET 25 HG3 MET 25 6.641 9.113 -3.964 213 HE1 MET 25 HE1 MET 25 5.310 9.144 -6.162 214 HE2 MET 25 HE2 MET 25 4.549 10.621 -5.531 215 HE3 MET 25 HE3 MET 25 5.151 10.578 -7.201 216 HA PRO 26 HA PRO 26 4.057 15.230 -1.139 217 HB2 PRO 26 HB2 PRO 26 1.830 15.349 -2.713 218 HB3 PRO 26 HB3 PRO 26 3.371 16.166 -3.140 219 HG2 PRO 26 HG2 PRO 26 2.349 13.485 -4.087 220 HG3 PRO 26 HG3 PRO 26 3.008 14.824 -5.085 221 HD2 PRO 26 HD2 PRO 26 4.527 12.709 -4.328 222 HD3 PRO 26 HD3 PRO 26 5.236 14.336 -4.409 223 H GLU 27 H GLU 27 1.991 15.168 -0.004 224 HA GLU 27 HA GLU 27 1.480 12.752 1.369 225 HB2 GLU 27 HB2 GLU 27 1.085 14.951 2.309 226 HB3 GLU 27 HB3 GLU 27 -0.169 15.292 1.108 227 HG2 GLU 27 HG2 GLU 27 -1.643 13.616 2.061 228 HG3 GLU 27 HG3 GLU 27 -0.353 13.003 3.098 229 H GLY 28 H GLY 28 0.095 11.144 1.270 230 HA2 GLY 28 HA2 GLY 28 -1.710 9.855 0.562 231 HA3 GLY 28 HA3 GLY 28 -2.129 11.072 -0.641 232 H THR 29 H THR 29 1.188 10.362 -0.898 233 HA THR 29 HA THR 29 0.833 8.591 -3.225 234 HB THR 29 HB THR 29 3.459 9.372 -1.869 235 HG1 THR 29 HG1 THR 29 2.577 11.202 -2.678 236 HG21 THR 29 HG21 THR 29 3.607 7.347 -3.271 237 HG22 THR 29 HG22 THR 29 2.801 8.196 -4.609 238 HG23 THR 29 HG23 THR 29 4.399 8.713 -4.037 239 H PHE 30 H PHE 30 0.784 6.363 -3.093 240 HA PHE 30 HA PHE 30 1.704 5.121 -0.546 241 HB2 PHE 30 HB2 PHE 30 -0.329 3.923 -0.334 242 HB3 PHE 30 HB3 PHE 30 -0.708 5.624 -0.503 243 HD1 PHE 30 HD1 PHE 30 -1.829 6.459 -2.575 244 HD2 PHE 30 HD2 PHE 30 -0.882 2.299 -2.067 245 HE1 PHE 30 HE1 PHE 30 -3.265 5.897 -4.526 246 HE2 PHE 30 HE2 PHE 30 -2.367 1.727 -3.979 247 HZ PHE 30 HZ PHE 30 -3.480 3.529 -5.267 248 H LEU 31 H LEU 31 1.884 2.863 -0.520 249 HA LEU 31 HA LEU 31 2.124 1.420 -3.056 250 HB2 LEU 31 HB2 LEU 31 4.422 0.758 -2.788 251 HB3 LEU 31 HB3 LEU 31 4.307 2.496 -2.825 252 HG LEU 31 HG LEU 31 4.447 2.388 -0.224 253 HD11 LEU 31 HD11 LEU 31 4.245 -0.058 0.171 254 HD12 LEU 31 HD12 LEU 31 5.594 -0.360 -0.945 255 HD13 LEU 31 HD13 LEU 31 5.854 0.485 0.597 256 HD21 LEU 31 HD21 LEU 31 6.816 1.589 -1.958 257 HD22 LEU 31 HD22 LEU 31 6.199 3.233 -1.693 258 HD23 LEU 31 HD23 LEU 31 6.896 2.345 -0.348 259 H VAL 32 H VAL 32 2.287 -0.866 -2.774 260 HA VAL 32 HA VAL 32 1.722 -1.880 -0.030 261 HB VAL 32 HB VAL 32 0.503 -2.963 -2.579 262 HG11 VAL 32 HG11 VAL 32 0.907 -4.788 -1.003 263 HG12 VAL 32 HG12 VAL 32 0.207 -3.835 0.326 264 HG13 VAL 32 HG13 VAL 32 -0.813 -4.401 -1.012 265 HG21 VAL 32 HG21 VAL 32 -0.727 -1.477 -0.205 266 HG22 VAL 32 HG22 VAL 32 -0.593 -0.870 -1.869 267 HG23 VAL 32 HG23 VAL 32 -1.644 -2.248 -1.522 268 H ARG 33 H ARG 33 2.923 -3.511 0.640 269 HA ARG 33 HA ARG 33 4.816 -4.847 -1.247 270 HB2 ARG 33 HB2 ARG 33 6.663 -4.435 0.301 271 HB3 ARG 33 HB3 ARG 33 5.922 -2.915 -0.199 272 HG2 ARG 33 HG2 ARG 33 4.589 -3.021 2.020 273 HG3 ARG 33 HG3 ARG 33 5.676 -4.339 2.474 274 HD2 ARG 33 HD2 ARG 33 7.601 -2.675 2.016 275 HD3 ARG 33 HD3 ARG 33 6.368 -1.440 1.850 276 HE ARG 33 HE ARG 33 6.009 -1.442 4.142 277 HH11 ARG 33 HH11 ARG 33 8.183 -4.138 3.428 278 HH12 ARG 33 HH12 ARG 33 8.271 -4.581 5.127 279 HH21 ARG 33 HH21 ARG 33 6.298 -2.082 6.288 280 HH22 ARG 33 HH22 ARG 33 7.293 -3.476 6.628 281 H ASP 34 H ASP 34 5.655 -6.853 -0.554 282 HA ASP 34 HA ASP 34 3.876 -8.570 1.006 283 HB2 ASP 34 HB2 ASP 34 5.195 -9.460 -0.831 284 HB3 ASP 34 HB3 ASP 34 6.691 -8.946 -0.063 285 H SER 35 H SER 35 3.959 -9.086 3.170 286 HA SER 35 HA SER 35 5.071 -7.072 4.813 287 HB2 SER 35 HB2 SER 35 3.006 -8.243 5.392 288 HB3 SER 35 HB3 SER 35 3.909 -9.743 5.626 289 HG SER 35 HG SER 35 3.995 -7.347 7.155 290 H THR 36 H THR 36 6.871 -6.765 5.811 291 HA THR 36 HA THR 36 8.996 -8.775 6.032 292 HB THR 36 HB THR 36 10.126 -6.793 7.264 293 HG1 THR 36 HG1 THR 36 8.420 -5.484 7.695 294 HG21 THR 36 HG21 THR 36 10.666 -7.401 4.958 295 HG22 THR 36 HG22 THR 36 9.263 -6.500 4.355 296 HG23 THR 36 HG23 THR 36 10.612 -5.644 5.146 297 H SER 37 H SER 37 6.226 -8.231 7.809 298 HA SER 37 HA SER 37 7.464 -8.893 10.446 299 HB2 SER 37 HB2 SER 37 4.718 -7.789 9.783 300 HB3 SER 37 HB3 SER 37 5.366 -8.093 11.406 301 HG SER 37 HG SER 37 5.625 -5.900 10.781 302 H SER 38 H SER 38 5.032 -10.106 8.110 303 HA SER 38 HA SER 38 4.945 -12.672 9.624 304 HB2 SER 38 HB2 SER 38 2.456 -11.255 8.632 305 HB3 SER 38 HB3 SER 38 2.525 -12.777 9.529 306 HG SER 38 HG SER 38 3.418 -11.563 11.306 307 HA PRO 39 HA PRO 39 4.999 -14.311 5.441 308 HB2 PRO 39 HB2 PRO 39 4.206 -16.896 5.846 309 HB3 PRO 39 HB3 PRO 39 5.808 -16.276 6.349 310 HG2 PRO 39 HG2 PRO 39 3.315 -16.576 8.056 311 HG3 PRO 39 HG3 PRO 39 4.982 -17.119 8.428 312 HD2 PRO 39 HD2 PRO 39 3.985 -14.768 9.373 313 HD3 PRO 39 HD3 PRO 39 5.699 -14.916 8.879 314 H GLY 40 H GLY 40 3.580 -14.469 3.754 315 HA2 GLY 40 HA2 GLY 40 1.642 -14.671 2.541 316 HA3 GLY 40 HA3 GLY 40 0.833 -15.311 3.969 317 H ASP 41 H ASP 41 1.964 -12.350 4.960 318 HA ASP 41 HA ASP 41 -0.606 -10.957 4.328 319 HB2 ASP 41 HB2 ASP 41 1.485 -10.471 6.474 320 HB3 ASP 41 HB3 ASP 41 0.101 -9.427 6.174 321 H TYR 42 H TYR 42 -0.524 -8.632 3.975 322 HA TYR 42 HA TYR 42 1.942 -7.659 2.585 323 HB2 TYR 42 HB2 TYR 42 -0.950 -7.049 1.889 324 HB3 TYR 42 HB3 TYR 42 0.467 -6.357 1.117 325 HD1 TYR 42 HD1 TYR 42 2.044 -7.883 -0.135 326 HD2 TYR 42 HD2 TYR 42 -1.820 -9.166 1.263 327 HE1 TYR 42 HE1 TYR 42 2.102 -9.811 -1.739 328 HE2 TYR 42 HE2 TYR 42 -1.774 -11.082 -0.335 329 HH TYR 42 HH TYR 42 -0.590 -12.168 -1.969 330 H VAL 43 H VAL 43 2.025 -5.229 2.521 331 HA VAL 43 HA VAL 43 0.806 -3.901 4.904 332 HB VAL 43 HB VAL 43 3.742 -3.697 4.130 333 HG11 VAL 43 HG11 VAL 43 2.909 -1.569 5.062 334 HG12 VAL 43 HG12 VAL 43 2.192 -2.442 6.438 335 HG13 VAL 43 HG13 VAL 43 3.950 -2.387 6.230 336 HG21 VAL 43 HG21 VAL 43 2.449 -4.979 6.568 337 HG22 VAL 43 HG22 VAL 43 3.272 -5.830 5.244 338 HG23 VAL 43 HG23 VAL 43 4.197 -4.759 6.305 339 H LEU 44 H LEU 44 -0.040 -1.984 4.446 340 HA LEU 44 HA LEU 44 0.420 -0.645 1.826 341 HB2 LEU 44 HB2 LEU 44 -1.917 -0.965 2.507 342 HB3 LEU 44 HB3 LEU 44 -1.599 -0.245 4.067 343 HG LEU 44 HG LEU 44 -1.231 1.954 3.027 344 HD11 LEU 44 HD11 LEU 44 -0.350 1.474 0.866 345 HD12 LEU 44 HD12 LEU 44 -1.803 0.559 0.405 346 HD13 LEU 44 HD13 LEU 44 -1.878 2.318 0.650 347 HD21 LEU 44 HD21 LEU 44 -3.792 0.609 2.041 348 HD22 LEU 44 HD22 LEU 44 -3.528 1.220 3.690 349 HD23 LEU 44 HD23 LEU 44 -3.558 2.345 2.322 350 H SER 45 H SER 45 1.862 0.984 1.758 351 HA SER 45 HA SER 45 2.493 2.463 4.274 352 HB2 SER 45 HB2 SER 45 4.382 2.105 1.944 353 HB3 SER 45 HB3 SER 45 4.714 2.905 3.487 354 HG SER 45 HG SER 45 4.066 0.153 3.090 355 H CYS 46 H CYS 46 2.273 4.684 4.219 356 HA CYS 46 HA CYS 46 1.553 5.985 1.632 357 HB2 CYS 46 HB2 CYS 46 -0.496 5.048 2.787 358 HB3 CYS 46 HB3 CYS 46 -0.168 6.168 4.128 359 HG CYS 46 HG CYS 46 -2.087 7.136 2.622 360 H SER 47 H SER 47 2.038 8.217 1.487 361 HA SER 47 HA SER 47 3.674 9.381 3.614 362 HB2 SER 47 HB2 SER 47 3.725 11.309 2.053 363 HB3 SER 47 HB3 SER 47 4.393 9.815 1.392 364 HG SER 47 HG SER 47 2.922 11.066 0.003 365 H GLU 48 H GLU 48 2.746 10.163 5.311 366 HA GLU 48 HA GLU 48 0.177 11.724 5.131 367 HB2 GLU 48 HB2 GLU 48 0.753 9.330 6.900 368 HB3 GLU 48 HB3 GLU 48 -0.427 10.533 7.317 369 HG2 GLU 48 HG2 GLU 48 -1.552 10.131 5.066 370 HG3 GLU 48 HG3 GLU 48 -0.464 8.754 4.852 371 H ASN 49 H ASN 49 0.333 13.654 6.010 372 HA ASN 49 HA ASN 49 0.954 15.398 7.204 373 HB2 ASN 49 HB2 ASN 49 -0.564 14.141 8.722 374 HB3 ASN 49 HB3 ASN 49 0.846 13.482 9.550 375 HD21 ASN 49 HD22 ASN 49 -0.240 14.549 11.451 376 HD22 ASN 49 HD21 ASN 49 0.082 16.258 11.701 377 H GLY 50 H GLY 50 3.045 14.748 5.875 378 HA2 GLY 50 HA2 GLY 50 5.225 15.473 5.720 379 HA3 GLY 50 HA3 GLY 50 5.162 15.902 7.430 380 H LYS 51 H LYS 51 4.386 12.646 7.176 381 HA LYS 51 HA LYS 51 7.141 11.580 7.039 382 HB2 LYS 51 HB2 LYS 51 6.896 10.336 9.166 383 HB3 LYS 51 HB3 LYS 51 6.952 12.068 9.359 384 HG2 LYS 51 HG2 LYS 51 5.381 11.298 10.908 385 HG3 LYS 51 HG3 LYS 51 4.464 12.113 9.651 386 HD2 LYS 51 HD2 LYS 51 3.828 9.874 8.704 387 HD3 LYS 51 HD3 LYS 51 4.815 9.089 9.943 388 HE2 LYS 51 HE2 LYS 51 2.478 9.012 10.573 389 HE3 LYS 51 HE3 LYS 51 3.356 10.033 11.711 390 HZ1 LYS 51 HZ1 LYS 51 2.452 11.963 10.692 391 HZ2 LYS 51 HZ2 LYS 51 1.914 11.158 9.377 392 HZ3 LYS 51 HZ3 LYS 51 1.173 10.948 10.840 393 H VAL 52 H VAL 52 6.761 8.988 7.594 394 HA VAL 52 HA VAL 52 4.697 8.120 5.603 395 HB VAL 52 HB VAL 52 7.412 6.880 6.101 396 HG11 VAL 52 HG11 VAL 52 5.812 5.154 5.445 397 HG12 VAL 52 HG12 VAL 52 5.168 6.186 4.153 398 HG13 VAL 52 HG13 VAL 52 6.813 5.534 4.043 399 HG21 VAL 52 HG21 VAL 52 6.312 8.628 3.867 400 HG22 VAL 52 HG22 VAL 52 7.720 8.945 4.900 401 HG23 VAL 52 HG23 VAL 52 7.792 7.658 3.705 402 H THR 53 H THR 53 3.285 6.635 6.127 403 HA THR 53 HA THR 53 3.380 5.329 8.815 404 HB THR 53 HB THR 53 0.893 5.176 8.509 405 HG1 THR 53 HG1 THR 53 0.048 6.697 6.938 406 HG21 THR 53 HG21 THR 53 1.900 6.960 9.877 407 HG22 THR 53 HG22 THR 53 2.035 8.001 8.438 408 HG23 THR 53 HG23 THR 53 0.435 7.524 9.050 409 H HIS 54 H HIS 54 2.406 3.200 8.976 410 HA HIS 54 HA HIS 54 2.391 1.554 6.505 411 HB2 HIS 54 HB2 HIS 54 3.905 0.768 9.014 412 HB3 HIS 54 HB3 HIS 54 3.793 -0.136 7.510 413 HD1 HIS 54 HD1 HIS 54 5.116 1.184 5.322 414 HD2 HIS 54 HD2 HIS 54 5.894 2.430 9.272 415 HE1 HIS 54 HE1 HIS 54 7.337 2.423 5.263 416 H TYR 55 H TYR 55 0.815 0.049 6.495 417 HA TYR 55 HA TYR 55 -0.660 -0.651 9.007 418 HB2 TYR 55 HB2 TYR 55 -1.888 0.064 6.317 419 HB3 TYR 55 HB3 TYR 55 -2.746 -0.318 7.806 420 HD1 TYR 55 HD2 TYR 55 -2.469 1.264 9.822 421 HD2 TYR 55 HD1 TYR 55 -1.200 2.285 5.826 422 HE1 TYR 55 HE2 TYR 55 -2.417 3.677 10.448 423 HE2 TYR 55 HE1 TYR 55 -1.178 4.688 6.441 424 HH TYR 55 HH TYR 55 -1.651 6.258 8.097 425 H LYS 56 H LYS 56 -1.123 -2.790 9.231 426 HA LYS 56 HA LYS 56 -0.218 -4.736 7.296 427 HB2 LYS 56 HB2 LYS 56 -1.458 -4.747 10.000 428 HB3 LYS 56 HB3 LYS 56 -1.978 -6.086 9.007 429 HG2 LYS 56 HG2 LYS 56 0.935 -5.415 9.571 430 HG3 LYS 56 HG3 LYS 56 -0.044 -6.604 10.432 431 HD2 LYS 56 HD2 LYS 56 -0.424 -7.730 8.102 432 HD3 LYS 56 HD3 LYS 56 0.894 -6.694 7.543 433 HE2 LYS 56 HE2 LYS 56 1.986 -8.685 8.118 434 HE3 LYS 56 HE3 LYS 56 2.279 -7.624 9.497 435 HZ1 LYS 56 HZ1 LYS 56 0.336 -8.781 10.585 436 HZ2 LYS 56 HZ2 LYS 56 0.296 -9.837 9.319 437 HZ3 LYS 56 HZ3 LYS 56 1.602 -9.780 10.281 438 H LEU 57 H LEU 57 -1.159 -5.712 5.712 439 HA LEU 57 HA LEU 57 -4.130 -5.640 5.306 440 HB2 LEU 57 HB2 LEU 57 -1.787 -5.794 3.384 441 HB3 LEU 57 HB3 LEU 57 -3.413 -6.249 2.892 442 HG LEU 57 HG LEU 57 -2.905 -3.529 4.089 443 HD11 LEU 57 HD11 LEU 57 -1.244 -3.590 2.380 444 HD12 LEU 57 HD12 LEU 57 -2.269 -4.501 1.281 445 HD13 LEU 57 HD13 LEU 57 -2.636 -2.804 1.602 446 HD21 LEU 57 HD21 LEU 57 -4.808 -4.470 1.907 447 HD22 LEU 57 HD22 LEU 57 -5.251 -4.321 3.621 448 HD23 LEU 57 HD23 LEU 57 -4.798 -2.880 2.695 449 H SER 58 H SER 58 -4.250 -7.314 6.830 450 HA SER 58 HA SER 58 -2.580 -9.710 6.655 451 HB2 SER 58 HB2 SER 58 -4.855 -8.969 8.517 452 HB3 SER 58 HB3 SER 58 -3.874 -10.439 8.654 453 HG SER 58 HG SER 58 -3.101 -8.709 9.977 454 H ALA 59 H ALA 59 -3.149 -11.772 6.044 455 HA ALA 59 HA ALA 59 -5.561 -11.998 4.371 456 HB1 ALA 59 HB1 ALA 59 -3.407 -12.736 3.500 457 HB2 ALA 59 HB2 ALA 59 -3.245 -13.906 4.830 458 HB3 ALA 59 HB3 ALA 59 -4.540 -14.097 3.626 459 H GLU 60 H GLU 60 -7.422 -12.883 4.976 460 HA GLU 60 HA GLU 60 -7.474 -15.154 6.920 461 HB2 GLU 60 HB2 GLU 60 -9.407 -12.796 6.923 462 HB3 GLU 60 HB3 GLU 60 -9.633 -14.317 7.795 463 HG2 GLU 60 HG2 GLU 60 -7.424 -13.847 8.976 464 HG3 GLU 60 HG3 GLU 60 -7.492 -12.218 8.288 465 H GLU 61 H GLU 61 -8.154 -16.868 5.777 466 HA GLU 61 HA GLU 61 -9.037 -18.143 4.119 467 HB2 GLU 61 HB2 GLU 61 -11.497 -16.436 4.590 468 HB3 GLU 61 HB3 GLU 61 -11.446 -18.013 3.790 469 HG2 GLU 61 HG2 GLU 61 -10.523 -19.021 5.890 470 HG3 GLU 61 HG3 GLU 61 -10.730 -17.468 6.701 471 H GLY 62 H GLY 62 -7.549 -15.917 3.178 472 HA2 GLY 62 HA2 GLY 62 -6.810 -15.263 1.056 473 HA3 GLY 62 HA3 GLY 62 -8.288 -15.890 0.331 474 H LYS 63 H LYS 63 -9.390 -13.972 2.790 475 HA LYS 63 HA LYS 63 -9.703 -11.544 1.085 476 HB2 LYS 63 HB2 LYS 63 -11.215 -12.423 3.583 477 HB3 LYS 63 HB3 LYS 63 -11.511 -10.951 2.661 478 HG2 LYS 63 HG2 LYS 63 -11.799 -12.505 0.598 479 HG3 LYS 63 HG3 LYS 63 -11.919 -13.826 1.777 480 HD2 LYS 63 HD2 LYS 63 -13.798 -12.501 2.888 481 HD3 LYS 63 HD3 LYS 63 -13.745 -11.395 1.518 482 HE2 LYS 63 HE2 LYS 63 -14.426 -14.364 1.495 483 HE3 LYS 63 HE3 LYS 63 -15.522 -13.018 1.189 484 HZ1 LYS 63 HZ1 LYS 63 -14.198 -12.541 -0.871 485 HZ2 LYS 63 HZ2 LYS 63 -13.272 -13.849 -0.567 486 HZ3 LYS 63 HZ3 LYS 63 -14.857 -14.031 -0.884 487 H ILE 64 H ILE 64 -9.689 -9.444 2.267 488 HA ILE 64 HA ILE 64 -7.051 -9.271 3.668 489 HB ILE 64 HB ILE 64 -8.482 -7.462 1.706 490 HG12 ILE 64 HG12 ILE 64 -7.338 -9.367 0.666 491 HG13 ILE 64 HG13 ILE 64 -6.591 -7.842 0.249 492 HG21 ILE 64 HG21 ILE 64 -7.446 -5.954 3.283 493 HG22 ILE 64 HG22 ILE 64 -5.921 -6.864 3.238 494 HG23 ILE 64 HG23 ILE 64 -6.507 -5.979 1.804 495 HD11 ILE 64 HD11 ILE 64 -4.746 -8.289 1.878 496 HD12 ILE 64 HD12 ILE 64 -5.490 -9.864 2.251 497 HD13 ILE 64 HD13 ILE 64 -4.883 -9.528 0.623 498 H ARG 65 H ARG 65 -7.133 -8.840 5.711 499 HA ARG 65 HA ARG 65 -9.202 -7.035 6.887 500 HB2 ARG 65 HB2 ARG 65 -8.813 -9.320 7.878 501 HB3 ARG 65 HB3 ARG 65 -7.147 -8.867 8.187 502 HG2 ARG 65 HG2 ARG 65 -8.172 -8.557 10.254 503 HG3 ARG 65 HG3 ARG 65 -8.075 -6.923 9.614 504 HD2 ARG 65 HD2 ARG 65 -10.233 -7.131 10.572 505 HD3 ARG 65 HD3 ARG 65 -10.501 -7.227 8.821 506 HE ARG 65 HE ARG 65 -10.154 -9.878 9.646 507 HH11 ARG 65 HH11 ARG 65 -12.532 -7.434 10.521 508 HH12 ARG 65 HH12 ARG 65 -13.720 -8.657 10.887 509 HH21 ARG 65 HH21 ARG 65 -11.557 -11.251 10.096 510 HH22 ARG 65 HH22 ARG 65 -13.187 -10.846 10.656 511 H ILE 66 H ILE 66 -8.673 -4.976 7.374 512 HA ILE 66 HA ILE 66 -5.902 -4.294 8.111 513 HB ILE 66 HB ILE 66 -5.759 -3.855 5.813 514 HG12 ILE 66 HG12 ILE 66 -6.274 -1.138 7.042 515 HG13 ILE 66 HG13 ILE 66 -4.902 -2.121 7.520 516 HG21 ILE 66 HG21 ILE 66 -8.163 -3.733 5.215 517 HG22 ILE 66 HG22 ILE 66 -8.247 -2.117 5.953 518 HG23 ILE 66 HG23 ILE 66 -7.238 -2.412 4.519 519 HD11 ILE 66 HD11 ILE 66 -3.958 -2.037 5.300 520 HD12 ILE 66 HD12 ILE 66 -5.378 -1.187 4.656 521 HD13 ILE 66 HD13 ILE 66 -4.329 -0.392 5.835 522 H ASP 67 H ASP 67 -5.761 -2.971 9.743 523 HA ASP 67 HA ASP 67 -6.372 -2.062 11.699 524 HB2 ASP 67 HB2 ASP 67 -6.498 -0.057 10.344 525 HB3 ASP 67 HB3 ASP 67 -8.196 -0.357 9.986 526 H THR 68 H THR 68 -9.681 -1.573 10.672 527 HA THR 68 HA THR 68 -10.669 -3.877 12.293 528 HB THR 68 HB THR 68 -12.549 -2.389 13.064 529 HG1 THR 68 HG1 THR 68 -10.769 -0.293 12.372 530 HG21 THR 68 HG21 THR 68 -10.703 -2.978 14.574 531 HG22 THR 68 HG22 THR 68 -9.779 -1.567 14.021 532 HG23 THR 68 HG23 THR 68 -11.316 -1.346 14.885 533 H HIS 69 H HIS 69 -10.424 -2.946 9.266 534 HA HIS 69 HA HIS 69 -13.230 -3.447 8.414 535 HB2 HIS 69 HB2 HIS 69 -10.901 -2.202 6.909 536 HB3 HIS 69 HB3 HIS 69 -12.549 -2.401 6.315 537 HD1 HIS 69 HD1 HIS 69 -14.362 -0.602 7.196 538 HD2 HIS 69 HD2 HIS 69 -10.438 -0.207 8.664 539 HE1 HIS 69 HE1 HIS 69 -14.246 1.686 8.319 540 H LEU 70 H LEU 70 -13.612 -4.948 6.828 541 HA LEU 70 HA LEU 70 -11.410 -6.767 5.970 542 HB2 LEU 70 HB2 LEU 70 -12.863 -7.830 7.712 543 HB3 LEU 70 HB3 LEU 70 -14.255 -7.569 6.666 544 HG LEU 70 HG LEU 70 -13.117 -9.045 4.923 545 HD11 LEU 70 HD11 LEU 70 -10.787 -8.906 5.822 546 HD12 LEU 70 HD12 LEU 70 -11.303 -9.773 7.270 547 HD13 LEU 70 HD13 LEU 70 -11.352 -10.571 5.686 548 HD21 LEU 70 HD21 LEU 70 -13.705 -10.285 7.641 549 HD22 LEU 70 HD22 LEU 70 -14.904 -9.881 6.393 550 HD23 LEU 70 HD23 LEU 70 -13.695 -11.137 6.080 551 H PHE 71 H PHE 71 -11.219 -7.010 3.865 552 HA PHE 71 HA PHE 71 -13.391 -6.183 1.984 553 HB2 PHE 71 HB2 PHE 71 -10.398 -5.692 1.713 554 HB3 PHE 71 HB3 PHE 71 -11.636 -5.271 0.540 555 HD1 PHE 71 HD1 PHE 71 -13.469 -3.575 1.264 556 HD2 PHE 71 HD2 PHE 71 -9.818 -4.202 3.469 557 HE1 PHE 71 HE1 PHE 71 -13.815 -1.423 2.452 558 HE2 PHE 71 HE2 PHE 71 -10.142 -2.017 4.615 559 HZ PHE 71 HZ PHE 71 -12.157 -0.657 4.146 560 H ASP 72 H ASP 72 -13.354 -7.213 -0.085 561 HA ASP 72 HA ASP 72 -12.749 -9.990 0.017 562 HB2 ASP 72 HB2 ASP 72 -14.561 -9.030 -1.321 563 HB3 ASP 72 HB3 ASP 72 -13.398 -8.154 -2.321 564 H ASN 73 H ASN 73 -10.888 -7.288 -1.278 565 HA ASN 73 HA ASN 73 -8.501 -8.925 -1.713 566 HB2 ASN 73 HB2 ASN 73 -8.367 -8.340 -4.140 567 HB3 ASN 73 HB3 ASN 73 -9.734 -9.382 -3.773 568 HD21 ASN 73 HD22 ASN 73 -11.830 -8.661 -4.329 569 HD22 ASN 73 HD21 ASN 73 -12.092 -7.050 -4.996 570 H LEU 74 H LEU 74 -6.721 -7.529 -2.707 571 HA LEU 74 HA LEU 74 -6.225 -5.296 -1.011 572 HB2 LEU 74 HB2 LEU 74 -4.902 -6.272 -3.568 573 HB3 LEU 74 HB3 LEU 74 -4.292 -4.924 -2.611 574 HG LEU 74 HG LEU 74 -4.545 -7.797 -1.633 575 HD11 LEU 74 HD11 LEU 74 -2.734 -7.412 -3.284 576 HD12 LEU 74 HD12 LEU 74 -2.119 -6.079 -2.278 577 HD13 LEU 74 HD13 LEU 74 -2.092 -7.743 -1.664 578 HD21 LEU 74 HD21 LEU 74 -3.489 -5.265 -0.324 579 HD22 LEU 74 HD22 LEU 74 -4.792 -6.305 0.275 580 HD23 LEU 74 HD23 LEU 74 -3.134 -6.903 0.285 581 H ASP 75 H ASP 75 -7.293 -5.330 -4.449 582 HA ASP 75 HA ASP 75 -6.999 -2.513 -4.853 583 HB2 ASP 75 HB2 ASP 75 -7.155 -4.212 -6.649 584 HB3 ASP 75 HB3 ASP 75 -8.843 -4.496 -6.237 585 H ALA 76 H ALA 76 -9.764 -4.432 -3.641 586 HA ALA 76 HA ALA 76 -11.606 -2.247 -3.390 587 HB1 ALA 76 HB1 ALA 76 -12.295 -4.604 -3.366 588 HB2 ALA 76 HB2 ALA 76 -11.403 -4.873 -1.854 589 HB3 ALA 76 HB3 ALA 76 -12.809 -3.790 -1.874 590 H ALA 77 H ALA 77 -9.128 -3.522 -1.109 591 HA ALA 77 HA ALA 77 -9.831 -1.778 1.066 592 HB1 ALA 77 HB1 ALA 77 -8.508 -3.882 1.271 593 HB2 ALA 77 HB2 ALA 77 -7.159 -3.104 0.420 594 HB3 ALA 77 HB3 ALA 77 -7.686 -2.483 1.996 595 H ILE 78 H ILE 78 -7.418 -1.434 -1.579 596 HA ILE 78 HA ILE 78 -6.462 1.182 -0.883 597 HB ILE 78 HB ILE 78 -6.723 -0.271 -3.545 598 HG12 ILE 78 HG12 ILE 78 -5.169 -1.399 -2.070 599 HG13 ILE 78 HG13 ILE 78 -4.298 -0.629 -3.374 600 HG21 ILE 78 HG21 ILE 78 -6.622 2.086 -4.095 601 HG22 ILE 78 HG22 ILE 78 -5.231 2.319 -3.017 602 HG23 ILE 78 HG23 ILE 78 -5.078 1.326 -4.474 603 HD11 ILE 78 HD11 ILE 78 -3.639 1.209 -1.779 604 HD12 ILE 78 HD12 ILE 78 -4.473 0.322 -0.480 605 HD13 ILE 78 HD13 ILE 78 -3.089 -0.403 -1.304 606 H THR 79 H THR 79 -9.085 0.238 -3.086 607 HA THR 79 HA THR 79 -10.003 2.820 -3.774 608 HB THR 79 HB THR 79 -11.664 0.279 -3.542 609 HG1 THR 79 HG1 THR 79 -10.034 -0.051 -4.953 610 HG21 THR 79 HG21 THR 79 -13.158 2.205 -3.797 611 HG22 THR 79 HG22 THR 79 -12.144 2.856 -5.106 612 HG23 THR 79 HG23 THR 79 -13.048 1.341 -5.334 613 H PHE 80 H PHE 80 -11.045 0.804 -0.953 614 HA PHE 80 HA PHE 80 -12.998 2.610 0.037 615 HB2 PHE 80 HB2 PHE 80 -12.694 0.331 0.870 616 HB3 PHE 80 HB3 PHE 80 -11.122 0.751 1.539 617 HD1 PHE 80 HD2 PHE 80 -14.791 1.253 1.876 618 HD2 PHE 80 HD1 PHE 80 -10.920 2.023 3.616 619 HE1 PHE 80 HE2 PHE 80 -15.882 2.022 3.971 620 HE2 PHE 80 HE1 PHE 80 -12.015 2.788 5.709 621 HZ PHE 80 HZ PHE 80 -14.498 2.799 5.885 622 H TYR 81 H TYR 81 -9.446 2.552 0.665 623 HA TYR 81 HA TYR 81 -9.623 5.015 2.213 624 HB2 TYR 81 HB2 TYR 81 -7.241 3.388 1.327 625 HB3 TYR 81 HB3 TYR 81 -7.158 4.821 2.354 626 HD1 TYR 81 HD2 TYR 81 -9.059 4.740 4.365 627 HD2 TYR 81 HD1 TYR 81 -7.020 1.390 2.562 628 HE1 TYR 81 HE2 TYR 81 -9.399 3.419 6.440 629 HE2 TYR 81 HE1 TYR 81 -7.380 0.065 4.642 630 HH TYR 81 HH TYR 81 -9.032 1.438 7.505 631 H MET 82 H MET 82 -9.894 4.662 -1.049 632 HA MET 82 HA MET 82 -8.698 7.338 -1.646 633 HB2 MET 82 HB2 MET 82 -10.123 5.294 -3.398 634 HB3 MET 82 HB3 MET 82 -9.706 6.921 -3.925 635 HG2 MET 82 HG2 MET 82 -7.353 6.521 -3.574 636 HG3 MET 82 HG3 MET 82 -7.671 4.913 -2.910 637 HE1 MET 82 HE1 MET 82 -5.687 5.884 -5.429 638 HE2 MET 82 HE2 MET 82 -5.687 4.319 -4.591 639 HE3 MET 82 HE3 MET 82 -5.821 4.377 -6.364 640 H GLU 83 H GLU 83 -11.833 5.668 -1.264 641 HA GLU 83 HA GLU 83 -13.449 8.064 -1.658 642 HB2 GLU 83 HB2 GLU 83 -14.046 5.308 -0.509 643 HB3 GLU 83 HB3 GLU 83 -15.266 6.556 -0.747 644 HG2 GLU 83 HG2 GLU 83 -13.573 5.357 -2.988 645 HG3 GLU 83 HG3 GLU 83 -15.193 4.837 -2.557 646 H HIS 84 H HIS 84 -11.979 6.520 1.153 647 HA HIS 84 HA HIS 84 -13.040 8.670 2.943 648 HB2 HIS 84 HB2 HIS 84 -12.555 5.747 3.642 649 HB3 HIS 84 HB3 HIS 84 -13.176 6.994 4.719 650 HD1 HIS 84 HD1 HIS 84 -15.736 7.964 3.985 651 HD2 HIS 84 HD2 HIS 84 -14.308 4.435 2.193 652 HE1 HIS 84 HE1 HIS 84 -17.762 6.824 2.941 653 H GLU 85 H GLU 85 -11.664 9.189 4.795 654 HA GLU 85 HA GLU 85 -8.817 9.218 4.152 655 HB2 GLU 85 HB2 GLU 85 -10.332 10.114 6.625 656 HB3 GLU 85 HB3 GLU 85 -8.596 10.335 6.368 657 HG2 GLU 85 HG2 GLU 85 -9.015 11.693 4.366 658 HG3 GLU 85 HG3 GLU 85 -10.756 11.457 4.527 659 H LEU 86 H LEU 86 -7.120 8.175 5.155 660 HA LEU 86 HA LEU 86 -7.717 5.515 6.202 661 HB2 LEU 86 HB2 LEU 86 -5.987 6.238 4.422 662 HB3 LEU 86 HB3 LEU 86 -4.987 6.776 5.758 663 HG LEU 86 HG LEU 86 -6.000 3.959 5.231 664 HD11 LEU 86 HD11 LEU 86 -4.230 4.715 3.714 665 HD12 LEU 86 HD12 LEU 86 -3.217 5.178 5.099 666 HD13 LEU 86 HD13 LEU 86 -3.616 3.470 4.813 667 HD21 LEU 86 HD21 LEU 86 -4.294 4.976 7.515 668 HD22 LEU 86 HD22 LEU 86 -5.837 4.090 7.611 669 HD23 LEU 86 HD23 LEU 86 -4.394 3.264 7.041 670 H GLU 87 H GLU 87 -5.486 8.061 7.317 671 HA GLU 87 HA GLU 87 -6.528 7.829 10.105 672 HB2 GLU 87 HB2 GLU 87 -4.600 6.233 9.859 673 HB3 GLU 87 HB3 GLU 87 -3.583 7.595 9.384 674 HG2 GLU 87 HG2 GLU 87 -3.129 7.135 11.670 675 HG3 GLU 87 HG3 GLU 87 -4.018 8.648 11.630 676 H TYR 88 H TYR 88 -4.066 9.471 8.068 677 HA TYR 88 HA TYR 88 -4.718 12.101 9.352 678 HB2 TYR 88 HB2 TYR 88 -2.331 11.172 7.763 679 HB3 TYR 88 HB3 TYR 88 -2.494 12.756 8.451 680 HD1 TYR 88 HD2 TYR 88 -2.405 13.104 10.929 681 HD2 TYR 88 HD1 TYR 88 -1.650 9.249 9.142 682 HE1 TYR 88 HE2 TYR 88 -1.336 12.320 13.047 683 HE2 TYR 88 HE1 TYR 88 -0.601 8.470 11.252 684 HH TYR 88 HH TYR 88 -0.023 9.006 13.411 685 H SER 89 H SER 89 -4.442 10.357 6.252 686 HA SER 89 HA SER 89 -6.207 12.331 4.974 687 HB2 SER 89 HB2 SER 89 -3.769 13.100 4.667 688 HB3 SER 89 HB3 SER 89 -3.553 11.668 3.643 689 HG SER 89 HG SER 89 -4.183 13.629 2.503 690 H SER 90 H SER 90 -6.510 11.609 2.550 691 HA SER 90 HA SER 90 -7.088 8.685 2.452 692 HB2 SER 90 HB2 SER 90 -8.402 9.255 0.434 693 HB3 SER 90 HB3 SER 90 -8.974 10.068 1.899 694 HG SER 90 HG SER 90 -8.845 11.495 0.095 695 H LEU 91 H LEU 91 -6.631 7.572 0.415 696 HA LEU 91 HA LEU 91 -3.892 7.904 -0.524 697 HB2 LEU 91 HB2 LEU 91 -6.168 6.208 -1.616 698 HB3 LEU 91 HB3 LEU 91 -4.472 6.055 -2.033 699 HG LEU 91 HG LEU 91 -5.815 5.378 0.600 700 HD11 LEU 91 HD11 LEU 91 -5.990 3.738 -1.284 701 HD12 LEU 91 HD12 LEU 91 -4.221 3.673 -1.351 702 HD13 LEU 91 HD13 LEU 91 -5.085 3.104 0.093 703 HD21 LEU 91 HD21 LEU 91 -2.860 5.373 -0.029 704 HD22 LEU 91 HD22 LEU 91 -3.682 6.326 1.222 705 HD23 LEU 91 HD23 LEU 91 -3.589 4.568 1.370 706 H LYS 92 H LYS 92 -3.192 9.110 -2.182 707 HA LYS 92 HA LYS 92 -5.172 10.397 -4.039 708 HB2 LYS 92 HB2 LYS 92 -2.379 11.328 -3.240 709 HB3 LYS 92 HB3 LYS 92 -3.395 12.053 -4.476 710 HG2 LYS 92 HG2 LYS 92 -5.060 11.884 -2.165 711 HG3 LYS 92 HG3 LYS 92 -3.501 12.439 -1.581 712 HD2 LYS 92 HD2 LYS 92 -5.148 13.695 -3.807 713 HD3 LYS 92 HD3 LYS 92 -5.022 14.301 -2.162 714 HE2 LYS 92 HE2 LYS 92 -2.691 14.104 -4.132 715 HE3 LYS 92 HE3 LYS 92 -3.655 15.552 -3.844 716 HZ1 LYS 92 HZ1 LYS 92 -2.927 15.460 -1.494 717 HZ2 LYS 92 HZ2 LYS 92 -1.928 14.199 -1.835 718 HZ3 LYS 92 HZ3 LYS 92 -1.675 15.654 -2.521 719 H GLN 93 H GLN 93 -1.963 8.770 -4.056 720 HA GLN 93 HA GLN 93 -2.495 7.929 -6.825 721 HB2 GLN 93 HB2 GLN 93 -0.506 8.934 -7.768 722 HB3 GLN 93 HB3 GLN 93 -1.591 10.164 -7.121 723 HG2 GLN 93 HG2 GLN 93 -0.143 10.274 -5.046 724 HG3 GLN 93 HG3 GLN 93 0.968 9.141 -5.817 725 HE21 GLN 93 HE22 GLN 93 2.185 11.270 -5.067 726 HE22 GLN 93 HE21 GLN 93 2.459 12.397 -6.407 727 HA PRO 94 HA PRO 94 0.156 4.475 -5.599 728 HB2 PRO 94 HB2 PRO 94 0.449 4.238 -8.597 729 HB3 PRO 94 HB3 PRO 94 0.115 2.954 -7.428 730 HG2 PRO 94 HG2 PRO 94 -1.868 3.941 -8.970 731 HG3 PRO 94 HG3 PRO 94 -2.178 3.690 -7.218 732 HD2 PRO 94 HD2 PRO 94 -1.420 6.269 -8.630 733 HD3 PRO 94 HD3 PRO 94 -2.726 5.963 -7.441 734 H LEU 95 H LEU 95 2.392 4.285 -5.307 735 HA LEU 95 HA LEU 95 4.245 6.219 -6.419 736 HB2 LEU 95 HB2 LEU 95 4.572 5.081 -4.217 737 HB3 LEU 95 HB3 LEU 95 4.721 3.541 -5.051 738 HG LEU 95 HG LEU 95 6.773 4.375 -6.214 739 HD11 LEU 95 HD11 LEU 95 6.384 6.820 -6.153 740 HD12 LEU 95 HD12 LEU 95 6.442 6.790 -4.378 741 HD13 LEU 95 HD13 LEU 95 7.891 6.417 -5.332 742 HD21 LEU 95 HD21 LEU 95 6.998 4.686 -3.217 743 HD22 LEU 95 HD22 LEU 95 6.880 3.123 -4.060 744 HD23 LEU 95 HD23 LEU 95 8.258 4.183 -4.368 745 H GLN 96 H GLN 96 5.861 5.852 -8.061 746 HA GLN 96 HA GLN 96 5.087 3.887 -10.138 747 HB2 GLN 96 HB2 GLN 96 7.072 6.188 -10.156 748 HB3 GLN 96 HB3 GLN 96 6.748 5.106 -11.519 749 HG2 GLN 96 HG2 GLN 96 4.358 5.803 -11.513 750 HG3 GLN 96 HG3 GLN 96 4.685 6.922 -10.190 751 HE21 GLN 96 HE22 GLN 96 3.583 8.190 -12.204 752 HE22 GLN 96 HE21 GLN 96 4.775 9.034 -13.187 753 H ARG 97 H ARG 97 6.318 2.209 -10.827 754 HA ARG 97 HA ARG 97 8.665 1.330 -9.242 755 HB2 ARG 97 HB2 ARG 97 7.106 0.005 -11.496 756 HB3 ARG 97 HB3 ARG 97 8.568 -0.659 -10.764 757 HG2 ARG 97 HG2 ARG 97 7.421 -0.599 -8.517 758 HG3 ARG 97 HG3 ARG 97 5.913 -0.168 -9.343 759 HD2 ARG 97 HD2 ARG 97 7.584 -2.663 -9.893 760 HD3 ARG 97 HD3 ARG 97 6.191 -2.627 -8.831 761 HE ARG 97 HE ARG 97 6.208 -2.391 -11.801 762 HH11 ARG 97 HH11 ARG 97 4.208 -2.686 -8.919 763 HH12 ARG 97 HH12 ARG 97 2.772 -2.977 -9.858 764 HH21 ARG 97 HH21 ARG 97 4.424 -2.837 -12.888 765 HH22 ARG 97 HH22 ARG 97 2.917 -3.221 -12.068 Start of MODEL 20 1 H1 GLY -6 H1 GLY -6 21.205 -5.828 -15.935 2 H2 GLY -6 H2 GLY -6 19.716 -6.452 -16.218 3 H3 GLY -6 H3 GLY -6 21.020 -7.442 -16.154 4 HA2 GLY -6 HA2 GLY -6 21.963 -6.468 -18.131 5 HA3 GLY -6 HA3 GLY -6 20.343 -7.123 -18.439 6 H SER -5 H SER -5 20.157 -5.691 -20.247 7 HA SER -5 HA SER -5 20.375 -2.847 -20.083 8 HB2 SER -5 HB2 SER -5 18.815 -4.542 -22.066 9 HB3 SER -5 HB3 SER -5 19.306 -2.851 -22.282 10 HG SER -5 HG SER -5 20.766 -4.314 -23.293 11 H SER -4 H SER -4 18.756 -1.219 -20.263 12 HA SER -4 HA SER -4 16.464 -1.627 -18.510 13 HB2 SER -4 HB2 SER -4 16.221 0.831 -18.751 14 HB3 SER -4 HB3 SER -4 17.835 0.324 -18.231 15 HG SER -4 HG SER -4 17.907 1.909 -19.906 16 H GLY -3 H GLY -3 16.772 -2.001 -21.860 17 HA2 GLY -3 HA2 GLY -3 14.320 -0.903 -22.839 18 HA3 GLY -3 HA3 GLY -3 15.251 -2.193 -23.594 19 H SER -2 H SER -2 12.421 -1.994 -23.545 20 HA SER -2 HA SER -2 10.485 -3.069 -23.107 21 HB2 SER -2 HB2 SER -2 12.244 -5.511 -22.738 22 HB3 SER -2 HB3 SER -2 10.502 -5.505 -23.061 23 HG SER -2 HG SER -2 12.553 -4.470 -24.754 24 H SER -1 H SER -1 11.584 -1.733 -20.799 25 HA SER -1 HA SER -1 11.224 -3.230 -18.403 26 HB2 SER -1 HB2 SER -1 12.342 -1.019 -18.551 27 HB3 SER -1 HB3 SER -1 10.761 -0.255 -18.822 28 HG SER -1 HG SER -1 11.414 -0.238 -16.599 29 H GLY 0 H GLY 0 9.500 -3.613 -17.077 30 HA2 GLY 0 HA2 GLY 0 7.324 -3.833 -16.350 31 HA3 GLY 0 HA3 GLY 0 6.827 -2.573 -17.479 32 H MET 1 H MET 1 8.350 -4.896 -19.379 33 HA MET 1 HA MET 1 5.933 -5.821 -20.570 34 HB2 MET 1 HB2 MET 1 8.032 -5.686 -21.800 35 HB3 MET 1 HB3 MET 1 8.773 -6.903 -20.749 36 HG2 MET 1 HG2 MET 1 8.109 -7.852 -22.901 37 HG3 MET 1 HG3 MET 1 7.249 -8.615 -21.571 38 HE1 MET 1 HE1 MET 1 6.419 -9.069 -24.551 39 HE2 MET 1 HE2 MET 1 5.538 -9.754 -23.167 40 HE3 MET 1 HE3 MET 1 4.653 -8.906 -24.453 41 H ALA 2 H ALA 2 4.611 -7.438 -20.143 42 HA ALA 2 HA ALA 2 3.508 -9.019 -19.007 43 HB1 ALA 2 HB1 ALA 2 4.994 -10.349 -20.452 44 HB2 ALA 2 HB2 ALA 2 6.161 -10.489 -19.116 45 HB3 ALA 2 HB3 ALA 2 4.547 -11.213 -18.970 46 H GLU 3 H GLU 3 4.749 -6.965 -17.225 47 HA GLU 3 HA GLU 3 5.566 -8.248 -14.798 48 HB2 GLU 3 HB2 GLU 3 6.157 -5.948 -15.458 49 HB3 GLU 3 HB3 GLU 3 4.469 -5.448 -15.275 50 HG2 GLU 3 HG2 GLU 3 4.559 -5.897 -12.869 51 HG3 GLU 3 HG3 GLU 3 6.183 -6.577 -13.021 52 H ALA 4 H ALA 4 2.492 -7.326 -15.975 53 HA ALA 4 HA ALA 4 0.335 -7.562 -15.346 54 HB1 ALA 4 HB1 ALA 4 1.097 -9.833 -15.926 55 HB2 ALA 4 HB2 ALA 4 1.411 -10.159 -14.206 56 HB3 ALA 4 HB3 ALA 4 -0.247 -9.852 -14.770 57 H ALA 5 H ALA 5 2.142 -6.480 -12.987 58 HA ALA 5 HA ALA 5 0.358 -6.994 -10.694 59 HB1 ALA 5 HB1 ALA 5 2.807 -7.131 -10.431 60 HB2 ALA 5 HB2 ALA 5 2.956 -5.423 -10.905 61 HB3 ALA 5 HB3 ALA 5 2.107 -5.861 -9.409 62 H ALA 6 H ALA 6 -0.453 -5.264 -9.352 63 HA ALA 6 HA ALA 6 -1.678 -3.032 -10.732 64 HB1 ALA 6 HB1 ALA 6 -2.696 -4.161 -8.779 65 HB2 ALA 6 HB2 ALA 6 -1.350 -3.607 -7.755 66 HB3 ALA 6 HB3 ALA 6 -2.457 -2.432 -8.492 67 HA PRO 7 HA PRO 7 1.698 -0.219 -10.678 68 HB2 PRO 7 HB2 PRO 7 0.531 2.264 -10.441 69 HB3 PRO 7 HB3 PRO 7 0.403 1.239 -11.903 70 HG2 PRO 7 HG2 PRO 7 -1.587 1.472 -9.619 71 HG3 PRO 7 HG3 PRO 7 -1.908 1.588 -11.380 72 HD2 PRO 7 HD2 PRO 7 -2.305 -0.728 -10.048 73 HD3 PRO 7 HD3 PRO 7 -1.578 -0.746 -11.684 74 H TRP 8 H TRP 8 -0.429 -0.151 -7.871 75 HA TRP 8 HA TRP 8 1.521 1.279 -6.192 76 HB2 TRP 8 HB2 TRP 8 -0.263 0.603 -4.418 77 HB3 TRP 8 HB3 TRP 8 -0.569 1.868 -5.574 78 HD1 TRP 8 HD1 TRP 8 -2.563 1.628 -7.199 79 HE1 TRP 8 HE1 TRP 8 -4.460 -0.079 -7.513 80 HE3 TRP 8 HE3 TRP 8 -0.780 -2.117 -4.221 81 HZ2 TRP 8 HZ2 TRP 8 -5.151 -2.694 -6.531 82 HZ3 TRP 8 HZ3 TRP 8 -2.097 -4.200 -3.886 83 HH2 TRP 8 HH2 TRP 8 -4.268 -4.511 -5.059 84 H TYR 9 H TYR 9 1.387 -1.979 -7.237 85 HA TYR 9 HA TYR 9 2.313 -3.062 -4.633 86 HB2 TYR 9 HB2 TYR 9 0.693 -4.293 -6.039 87 HB3 TYR 9 HB3 TYR 9 1.923 -4.455 -7.289 88 HD1 TYR 9 HD2 TYR 9 1.216 -5.200 -3.675 89 HD2 TYR 9 HD1 TYR 9 3.466 -6.280 -7.196 90 HE1 TYR 9 HE2 TYR 9 2.031 -7.258 -2.527 91 HE2 TYR 9 HE1 TYR 9 4.260 -8.342 -6.053 92 HH TYR 9 HH TYR 9 4.176 -9.623 -4.157 93 H HIS 10 H HIS 10 4.306 -3.245 -4.043 94 HA HIS 10 HA HIS 10 6.558 -3.026 -6.005 95 HB2 HIS 10 HB2 HIS 10 6.162 -1.852 -3.237 96 HB3 HIS 10 HB3 HIS 10 7.762 -2.058 -3.938 97 HD1 HIS 10 HD1 HIS 10 8.613 -0.076 -5.326 98 HD2 HIS 10 HD2 HIS 10 4.425 -0.321 -5.072 99 HE1 HIS 10 HE1 HIS 10 7.700 1.961 -6.557 100 H GLY 11 H GLY 11 5.094 -5.356 -4.144 101 HA2 GLY 11 HA2 GLY 11 5.791 -7.490 -3.564 102 HA3 GLY 11 HA3 GLY 11 7.199 -7.178 -4.572 103 HA PRO 12 HA PRO 12 8.913 -7.853 -0.378 104 HB2 PRO 12 HB2 PRO 12 11.304 -8.602 -2.053 105 HB3 PRO 12 HB3 PRO 12 10.632 -9.410 -0.601 106 HG2 PRO 12 HG2 PRO 12 10.143 -10.417 -3.054 107 HG3 PRO 12 HG3 PRO 12 8.786 -10.277 -1.882 108 HD2 PRO 12 HD2 PRO 12 9.552 -8.336 -4.098 109 HD3 PRO 12 HD3 PRO 12 7.961 -9.080 -3.755 110 H LEU 13 H LEU 13 8.711 -5.186 -1.053 111 HA LEU 13 HA LEU 13 11.312 -3.863 -0.961 112 HB2 LEU 13 HB2 LEU 13 9.052 -2.989 -1.932 113 HB3 LEU 13 HB3 LEU 13 8.598 -2.695 -0.256 114 HG LEU 13 HG LEU 13 10.592 -1.165 -0.044 115 HD11 LEU 13 HD11 LEU 13 12.029 -1.964 -1.856 116 HD12 LEU 13 HD12 LEU 13 10.750 -1.662 -3.054 117 HD13 LEU 13 HD13 LEU 13 11.537 -0.309 -2.229 118 HD21 LEU 13 HD21 LEU 13 8.628 -0.470 -2.265 119 HD22 LEU 13 HD22 LEU 13 8.306 -0.330 -0.525 120 HD23 LEU 13 HD23 LEU 13 9.556 0.674 -1.273 121 H SER 14 H SER 14 12.224 -2.823 0.892 122 HA SER 14 HA SER 14 11.354 -3.832 3.559 123 HB2 SER 14 HB2 SER 14 13.818 -2.272 2.706 124 HB3 SER 14 HB3 SER 14 13.464 -2.817 4.356 125 HG SER 14 HG SER 14 14.832 -4.279 3.194 126 H ARG 15 H ARG 15 11.015 -2.385 5.345 127 HA ARG 15 HA ARG 15 9.373 -0.108 4.900 128 HB2 ARG 15 HB2 ARG 15 11.023 -1.089 7.249 129 HB3 ARG 15 HB3 ARG 15 10.369 0.543 7.274 130 HG2 ARG 15 HG2 ARG 15 8.063 -0.422 6.810 131 HG3 ARG 15 HG3 ARG 15 8.779 -2.033 7.025 132 HD2 ARG 15 HD2 ARG 15 7.803 -1.296 9.143 133 HD3 ARG 15 HD3 ARG 15 9.583 -1.320 9.278 134 HE ARG 15 HE ARG 15 8.846 1.288 8.471 135 HH11 ARG 15 HH11 ARG 15 8.265 -0.585 11.373 136 HH12 ARG 15 HH12 ARG 15 8.420 0.821 12.391 137 HH21 ARG 15 HH21 ARG 15 9.263 2.895 9.751 138 HH22 ARG 15 HH22 ARG 15 8.918 2.813 11.475 139 H THR 16 H THR 16 12.858 -0.073 5.737 140 HA THR 16 HA THR 16 13.244 2.669 5.649 141 HB THR 16 HB THR 16 15.301 0.712 4.567 142 HG1 THR 16 HG1 THR 16 15.841 0.377 6.735 143 HG21 THR 16 HG21 THR 16 16.001 3.069 4.512 144 HG22 THR 16 HG22 THR 16 15.493 3.285 6.203 145 HG23 THR 16 HG23 THR 16 16.868 2.226 5.803 146 H ASP 17 H ASP 17 13.181 0.504 2.804 147 HA ASP 17 HA ASP 17 13.864 2.574 0.869 148 HB2 ASP 17 HB2 ASP 17 12.701 -0.226 0.690 149 HB3 ASP 17 HB3 ASP 17 12.864 0.801 -0.721 150 H ALA 18 H ALA 18 10.778 1.155 2.045 151 HA ALA 18 HA ALA 18 9.041 2.690 0.378 152 HB1 ALA 18 HB1 ALA 18 8.351 0.671 1.654 153 HB2 ALA 18 HB2 ALA 18 8.590 1.544 3.177 154 HB3 ALA 18 HB3 ALA 18 7.327 2.067 2.060 155 H GLU 19 H GLU 19 10.369 3.383 3.637 156 HA GLU 19 HA GLU 19 9.060 5.902 3.990 157 HB2 GLU 19 HB2 GLU 19 11.546 4.716 5.273 158 HB3 GLU 19 HB3 GLU 19 10.844 6.272 5.729 159 HG2 GLU 19 HG2 GLU 19 8.686 5.145 6.252 160 HG3 GLU 19 HG3 GLU 19 9.411 3.593 5.860 161 H ASN 20 H ASN 20 12.380 5.186 2.738 162 HA ASN 20 HA ASN 20 13.012 7.976 2.337 163 HB2 ASN 20 HB2 ASN 20 14.170 5.363 1.312 164 HB3 ASN 20 HB3 ASN 20 14.694 6.899 0.632 165 HD21 ASN 20 HD22 ASN 20 14.625 5.001 3.627 166 HD22 ASN 20 HD21 ASN 20 15.859 5.978 4.432 167 H SER 21 H SER 21 11.280 5.641 0.287 168 HA SER 21 HA SER 21 11.174 7.367 -2.043 169 HB2 SER 21 HB2 SER 21 9.309 5.101 -1.233 170 HB3 SER 21 HB3 SER 21 9.402 5.883 -2.821 171 HG SER 21 HG SER 21 11.351 4.288 -1.508 172 H LEU 22 H LEU 22 8.734 6.678 0.545 173 HA LEU 22 HA LEU 22 6.878 8.597 -0.553 174 HB2 LEU 22 HB2 LEU 22 6.989 6.752 1.788 175 HB3 LEU 22 HB3 LEU 22 5.920 8.126 1.921 176 HG LEU 22 HG LEU 22 4.641 7.520 0.016 177 HD11 LEU 22 HD11 LEU 22 6.233 6.563 -1.555 178 HD12 LEU 22 HD12 LEU 22 6.586 5.225 -0.433 179 HD13 LEU 22 HD13 LEU 22 4.984 5.359 -1.196 180 HD21 LEU 22 HD21 LEU 22 5.210 5.009 1.643 181 HD22 LEU 22 HD22 LEU 22 4.346 6.432 2.258 182 HD23 LEU 22 HD23 LEU 22 3.675 5.515 0.891 183 H LEU 23 H LEU 23 9.402 8.967 1.922 184 HA LEU 23 HA LEU 23 8.444 11.520 2.865 185 HB2 LEU 23 HB2 LEU 23 10.005 10.009 4.082 186 HB3 LEU 23 HB3 LEU 23 11.241 10.319 2.860 187 HG LEU 23 HG LEU 23 11.311 12.709 3.542 188 HD11 LEU 23 HD11 LEU 23 9.026 13.040 4.399 189 HD12 LEU 23 HD12 LEU 23 9.312 11.845 5.686 190 HD13 LEU 23 HD13 LEU 23 10.197 13.386 5.671 191 HD21 LEU 23 HD21 LEU 23 11.605 10.749 5.855 192 HD22 LEU 23 HD22 LEU 23 12.811 11.056 4.587 193 HD23 LEU 23 HD23 LEU 23 12.378 12.345 5.721 194 H ARG 24 H ARG 24 10.287 10.570 0.037 195 HA ARG 24 HA ARG 24 11.011 13.319 -0.727 196 HB2 ARG 24 HB2 ARG 24 12.406 11.315 -1.249 197 HB3 ARG 24 HB3 ARG 24 11.110 10.692 -2.274 198 HG2 ARG 24 HG2 ARG 24 11.359 12.671 -3.778 199 HG3 ARG 24 HG3 ARG 24 12.616 13.310 -2.708 200 HD2 ARG 24 HD2 ARG 24 13.680 12.238 -4.588 201 HD3 ARG 24 HD3 ARG 24 13.983 11.274 -3.134 202 HE ARG 24 HE ARG 24 11.636 10.407 -4.656 203 HH11 ARG 24 HH11 ARG 24 15.112 10.010 -4.499 204 HH12 ARG 24 HH12 ARG 24 15.062 8.459 -5.289 205 HH21 ARG 24 HH21 ARG 24 11.643 8.428 -5.661 206 HH22 ARG 24 HH22 ARG 24 13.144 7.594 -5.928 207 H MET 25 H MET 25 8.426 11.048 -1.432 208 HA MET 25 HA MET 25 7.279 12.526 -3.640 209 HB2 MET 25 HB2 MET 25 6.339 10.211 -1.912 210 HB3 MET 25 HB3 MET 25 5.341 10.871 -3.186 211 HG2 MET 25 HG2 MET 25 8.133 9.834 -3.599 212 HG3 MET 25 HG3 MET 25 6.694 8.886 -3.882 213 HE1 MET 25 HE1 MET 25 5.304 8.912 -6.073 214 HE2 MET 25 HE2 MET 25 4.641 10.436 -5.444 215 HE3 MET 25 HE3 MET 25 5.188 10.331 -7.131 216 HA PRO 26 HA PRO 26 4.357 15.219 -1.525 217 HB2 PRO 26 HB2 PRO 26 2.136 15.080 -3.135 218 HB3 PRO 26 HB3 PRO 26 3.631 15.961 -3.585 219 HG2 PRO 26 HG2 PRO 26 2.792 13.161 -4.387 220 HG3 PRO 26 HG3 PRO 26 3.419 14.472 -5.437 221 HD2 PRO 26 HD2 PRO 26 5.007 12.494 -4.506 222 HD3 PRO 26 HD3 PRO 26 5.638 14.145 -4.652 223 H GLU 27 H GLU 27 2.244 15.200 -0.434 224 HA GLU 27 HA GLU 27 1.716 12.816 1.068 225 HB2 GLU 27 HB2 GLU 27 1.370 15.109 1.896 226 HB3 GLU 27 HB3 GLU 27 0.055 15.342 0.735 227 HG2 GLU 27 HG2 GLU 27 -1.293 13.633 1.849 228 HG3 GLU 27 HG3 GLU 27 0.075 13.176 2.869 229 H GLY 28 H GLY 28 0.098 11.352 1.100 230 HA2 GLY 28 HA2 GLY 28 -1.721 10.115 0.330 231 HA3 GLY 28 HA3 GLY 28 -1.979 11.303 -0.954 232 H THR 29 H THR 29 1.273 10.312 -0.894 233 HA THR 29 HA THR 29 0.956 8.534 -3.209 234 HB THR 29 HB THR 29 3.576 9.191 -1.796 235 HG1 THR 29 HG1 THR 29 3.000 11.067 -2.606 236 HG21 THR 29 HG21 THR 29 3.607 7.158 -3.222 237 HG22 THR 29 HG22 THR 29 2.904 8.093 -4.565 238 HG23 THR 29 HG23 THR 29 4.518 8.480 -3.935 239 H PHE 30 H PHE 30 0.850 6.309 -3.053 240 HA PHE 30 HA PHE 30 1.711 5.081 -0.490 241 HB2 PHE 30 HB2 PHE 30 -0.337 3.880 -0.301 242 HB3 PHE 30 HB3 PHE 30 -0.697 5.589 -0.427 243 HD1 PHE 30 HD1 PHE 30 -1.704 6.515 -2.529 244 HD2 PHE 30 HD2 PHE 30 -0.994 2.312 -2.027 245 HE1 PHE 30 HE1 PHE 30 -3.122 6.046 -4.515 246 HE2 PHE 30 HE2 PHE 30 -2.502 1.826 -3.945 247 HZ PHE 30 HZ PHE 30 -3.487 3.689 -5.251 248 H LEU 31 H LEU 31 1.875 2.819 -0.468 249 HA LEU 31 HA LEU 31 2.131 1.390 -3.011 250 HB2 LEU 31 HB2 LEU 31 4.425 0.715 -2.726 251 HB3 LEU 31 HB3 LEU 31 4.317 2.453 -2.741 252 HG LEU 31 HG LEU 31 4.409 2.298 -0.134 253 HD11 LEU 31 HD11 LEU 31 4.220 -0.162 0.196 254 HD12 LEU 31 HD12 LEU 31 5.606 -0.423 -0.882 255 HD13 LEU 31 HD13 LEU 31 5.810 0.391 0.684 256 HD21 LEU 31 HD21 LEU 31 6.803 1.557 -1.860 257 HD22 LEU 31 HD22 LEU 31 6.167 3.189 -1.556 258 HD23 LEU 31 HD23 LEU 31 6.862 2.270 -0.230 259 H VAL 32 H VAL 32 2.232 -0.880 -2.758 260 HA VAL 32 HA VAL 32 1.647 -1.939 -0.043 261 HB VAL 32 HB VAL 32 0.451 -2.981 -2.617 262 HG11 VAL 32 HG11 VAL 32 0.833 -4.830 -1.067 263 HG12 VAL 32 HG12 VAL 32 0.150 -3.889 0.278 264 HG13 VAL 32 HG13 VAL 32 -0.883 -4.428 -1.061 265 HG21 VAL 32 HG21 VAL 32 -0.790 -1.521 -0.236 266 HG22 VAL 32 HG22 VAL 32 -0.638 -0.890 -1.891 267 HG23 VAL 32 HG23 VAL 32 -1.702 -2.266 -1.571 268 H ARG 33 H ARG 33 2.840 -3.578 0.608 269 HA ARG 33 HA ARG 33 4.763 -4.900 -1.251 270 HB2 ARG 33 HB2 ARG 33 6.569 -4.410 0.467 271 HB3 ARG 33 HB3 ARG 33 5.984 -3.005 -0.423 272 HG2 ARG 33 HG2 ARG 33 4.632 -2.269 1.463 273 HG3 ARG 33 HG3 ARG 33 4.974 -3.763 2.348 274 HD2 ARG 33 HD2 ARG 33 7.148 -1.835 1.494 275 HD3 ARG 33 HD3 ARG 33 6.268 -1.633 3.016 276 HE ARG 33 HE ARG 33 8.129 -3.824 2.273 277 HH11 ARG 33 HH11 ARG 33 6.142 -2.577 4.893 278 HH12 ARG 33 HH12 ARG 33 6.911 -3.669 6.031 279 HH21 ARG 33 HH21 ARG 33 8.997 -5.078 3.730 280 HH22 ARG 33 HH22 ARG 33 8.473 -5.024 5.414 281 H ASP 34 H ASP 34 5.914 -6.714 -0.220 282 HA ASP 34 HA ASP 34 4.215 -8.553 1.241 283 HB2 ASP 34 HB2 ASP 34 5.997 -9.255 -0.303 284 HB3 ASP 34 HB3 ASP 34 7.210 -8.524 0.751 285 H SER 35 H SER 35 4.065 -8.995 3.431 286 HA SER 35 HA SER 35 4.772 -6.783 5.121 287 HB2 SER 35 HB2 SER 35 2.649 -8.035 5.287 288 HB3 SER 35 HB3 SER 35 3.532 -9.433 5.914 289 HG SER 35 HG SER 35 4.142 -8.109 7.717 290 H THR 36 H THR 36 6.230 -6.458 6.630 291 HA THR 36 HA THR 36 8.641 -7.895 6.786 292 HB THR 36 HB THR 36 7.520 -6.129 8.990 293 HG1 THR 36 HG1 THR 36 8.462 -4.436 7.821 294 HG21 THR 36 HG21 THR 36 9.716 -7.208 9.452 295 HG22 THR 36 HG22 THR 36 10.349 -6.558 7.921 296 HG23 THR 36 HG23 THR 36 9.884 -5.460 9.241 297 H SER 37 H SER 37 9.120 -9.783 7.696 298 HA SER 37 HA SER 37 8.997 -11.725 8.823 299 HB2 SER 37 HB2 SER 37 8.270 -9.947 11.166 300 HB3 SER 37 HB3 SER 37 8.970 -11.575 11.250 301 HG SER 37 HG SER 37 10.577 -9.955 11.434 302 H SER 38 H SER 38 6.352 -10.920 7.600 303 HA SER 38 HA SER 38 4.615 -12.859 9.106 304 HB2 SER 38 HB2 SER 38 3.733 -10.225 7.910 305 HB3 SER 38 HB3 SER 38 2.681 -11.468 8.589 306 HG SER 38 HG SER 38 4.693 -10.010 9.986 307 HA PRO 39 HA PRO 39 5.053 -14.238 4.718 308 HB2 PRO 39 HB2 PRO 39 4.233 -16.793 6.109 309 HB3 PRO 39 HB3 PRO 39 5.410 -16.559 4.777 310 HG2 PRO 39 HG2 PRO 39 6.296 -16.881 7.312 311 HG3 PRO 39 HG3 PRO 39 7.021 -15.605 6.278 312 HD2 PRO 39 HD2 PRO 39 4.876 -15.307 8.403 313 HD3 PRO 39 HD3 PRO 39 6.342 -14.316 8.129 314 H GLY 40 H GLY 40 3.460 -14.222 3.228 315 HA2 GLY 40 HA2 GLY 40 1.401 -14.485 2.213 316 HA3 GLY 40 HA3 GLY 40 0.764 -15.228 3.678 317 H ASP 41 H ASP 41 1.951 -12.365 4.825 318 HA ASP 41 HA ASP 41 -0.608 -10.872 4.379 319 HB2 ASP 41 HB2 ASP 41 1.556 -10.499 6.472 320 HB3 ASP 41 HB3 ASP 41 0.140 -9.474 6.279 321 H TYR 42 H TYR 42 -0.471 -8.555 4.060 322 HA TYR 42 HA TYR 42 2.018 -7.605 2.698 323 HB2 TYR 42 HB2 TYR 42 -0.854 -7.015 1.897 324 HB3 TYR 42 HB3 TYR 42 0.592 -6.363 1.140 325 HD1 TYR 42 HD2 TYR 42 2.253 -8.004 0.125 326 HD2 TYR 42 HD1 TYR 42 -1.732 -9.120 1.292 327 HE1 TYR 42 HE2 TYR 42 2.394 -10.030 -1.350 328 HE2 TYR 42 HE1 TYR 42 -1.598 -11.160 -0.147 329 HH TYR 42 HH TYR 42 1.320 -11.906 -2.105 330 H VAL 43 H VAL 43 2.079 -5.174 2.554 331 HA VAL 43 HA VAL 43 0.834 -3.798 4.898 332 HB VAL 43 HB VAL 43 3.788 -3.690 4.152 333 HG11 VAL 43 HG11 VAL 43 3.070 -1.425 4.809 334 HG12 VAL 43 HG12 VAL 43 2.237 -2.084 6.234 335 HG13 VAL 43 HG13 VAL 43 4.003 -2.162 6.114 336 HG21 VAL 43 HG21 VAL 43 2.398 -4.530 6.721 337 HG22 VAL 43 HG22 VAL 43 3.038 -5.639 5.506 338 HG23 VAL 43 HG23 VAL 43 4.146 -4.576 6.387 339 H LEU 44 H LEU 44 -0.050 -1.947 4.417 340 HA LEU 44 HA LEU 44 0.385 -0.598 1.805 341 HB2 LEU 44 HB2 LEU 44 -1.952 -1.005 2.496 342 HB3 LEU 44 HB3 LEU 44 -1.656 -0.241 4.036 343 HG LEU 44 HG LEU 44 -1.354 1.928 2.974 344 HD11 LEU 44 HD11 LEU 44 -0.405 1.449 0.831 345 HD12 LEU 44 HD12 LEU 44 -1.837 0.513 0.341 346 HD13 LEU 44 HD13 LEU 44 -1.937 2.272 0.579 347 HD21 LEU 44 HD21 LEU 44 -3.851 0.509 1.939 348 HD22 LEU 44 HD22 LEU 44 -3.644 1.149 3.584 349 HD23 LEU 44 HD23 LEU 44 -3.670 2.254 2.200 350 H SER 45 H SER 45 1.872 0.991 1.794 351 HA SER 45 HA SER 45 2.456 2.461 4.332 352 HB2 SER 45 HB2 SER 45 4.371 2.127 2.018 353 HB3 SER 45 HB3 SER 45 4.682 2.910 3.572 354 HG SER 45 HG SER 45 4.068 0.160 3.124 355 H CYS 46 H CYS 46 2.212 4.664 4.296 356 HA CYS 46 HA CYS 46 1.452 5.973 1.710 357 HB2 CYS 46 HB2 CYS 46 -0.086 6.061 4.337 358 HB3 CYS 46 HB3 CYS 46 -0.443 7.045 2.911 359 HG CYS 46 HG CYS 46 -2.206 5.106 3.153 360 H SER 47 H SER 47 2.042 8.155 1.471 361 HA SER 47 HA SER 47 3.620 9.401 3.596 362 HB2 SER 47 HB2 SER 47 3.838 11.213 1.992 363 HB3 SER 47 HB3 SER 47 4.391 9.672 1.342 364 HG SER 47 HG SER 47 3.059 11.029 -0.065 365 H GLU 48 H GLU 48 2.627 10.220 5.214 366 HA GLU 48 HA GLU 48 0.088 11.806 4.913 367 HB2 GLU 48 HB2 GLU 48 0.579 9.497 6.835 368 HB3 GLU 48 HB3 GLU 48 -0.621 10.727 7.102 369 HG2 GLU 48 HG2 GLU 48 -1.700 10.148 4.907 370 HG3 GLU 48 HG3 GLU 48 -0.560 8.805 4.747 371 H ASN 49 H ASN 49 0.072 13.696 6.012 372 HA ASN 49 HA ASN 49 0.572 15.342 7.416 373 HB2 ASN 49 HB2 ASN 49 -0.569 13.632 8.876 374 HB3 ASN 49 HB3 ASN 49 1.018 13.160 9.479 375 HD21 ASN 49 HD22 ASN 49 -0.058 13.770 11.569 376 HD22 ASN 49 HD21 ASN 49 -0.003 15.465 12.039 377 H GLY 50 H GLY 50 2.721 14.738 5.799 378 HA2 GLY 50 HA2 GLY 50 4.894 15.456 5.496 379 HA3 GLY 50 HA3 GLY 50 4.887 16.076 7.147 380 H LYS 51 H LYS 51 4.105 12.772 7.115 381 HA LYS 51 HA LYS 51 6.901 11.772 7.343 382 HB2 LYS 51 HB2 LYS 51 6.338 10.563 9.394 383 HB3 LYS 51 HB3 LYS 51 6.151 12.294 9.613 384 HG2 LYS 51 HG2 LYS 51 3.712 12.111 9.418 385 HG3 LYS 51 HG3 LYS 51 3.841 10.369 9.090 386 HD2 LYS 51 HD2 LYS 51 4.798 10.023 11.347 387 HD3 LYS 51 HD3 LYS 51 4.705 11.774 11.654 388 HE2 LYS 51 HE2 LYS 51 2.234 11.682 11.277 389 HE3 LYS 51 HE3 LYS 51 2.342 9.936 11.040 390 HZ1 LYS 51 HZ1 LYS 51 3.170 9.751 13.333 391 HZ2 LYS 51 HZ2 LYS 51 3.053 11.368 13.549 392 HZ3 LYS 51 HZ3 LYS 51 1.704 10.472 13.316 393 H VAL 52 H VAL 52 6.431 9.173 7.888 394 HA VAL 52 HA VAL 52 4.646 8.197 5.694 395 HB VAL 52 HB VAL 52 7.362 7.043 6.391 396 HG11 VAL 52 HG11 VAL 52 5.848 5.285 5.638 397 HG12 VAL 52 HG12 VAL 52 5.257 6.301 4.312 398 HG13 VAL 52 HG13 VAL 52 6.915 5.680 4.296 399 HG21 VAL 52 HG21 VAL 52 6.399 8.740 4.053 400 HG22 VAL 52 HG22 VAL 52 7.706 9.111 5.192 401 HG23 VAL 52 HG23 VAL 52 7.911 7.807 4.030 402 H THR 53 H THR 53 3.297 6.634 6.146 403 HA THR 53 HA THR 53 3.283 5.386 8.865 404 HB THR 53 HB THR 53 0.814 5.307 8.548 405 HG1 THR 53 HG1 THR 53 -0.002 6.765 6.909 406 HG21 THR 53 HG21 THR 53 1.839 7.148 9.848 407 HG22 THR 53 HG22 THR 53 1.989 8.120 8.365 408 HG23 THR 53 HG23 THR 53 0.384 7.681 8.984 409 H HIS 54 H HIS 54 2.305 3.258 9.010 410 HA HIS 54 HA HIS 54 2.323 1.606 6.538 411 HB2 HIS 54 HB2 HIS 54 3.835 0.854 9.064 412 HB3 HIS 54 HB3 HIS 54 3.735 -0.068 7.569 413 HD1 HIS 54 HD1 HIS 54 5.092 1.174 5.384 414 HD2 HIS 54 HD2 HIS 54 5.793 2.562 9.300 415 HE1 HIS 54 HE1 HIS 54 7.291 2.451 5.311 416 H TYR 55 H TYR 55 0.791 0.074 6.518 417 HA TYR 55 HA TYR 55 -0.711 -0.658 9.006 418 HB2 TYR 55 HB2 TYR 55 -1.917 0.066 6.305 419 HB3 TYR 55 HB3 TYR 55 -2.782 -0.297 7.793 420 HD1 TYR 55 HD2 TYR 55 -2.496 1.316 9.794 421 HD2 TYR 55 HD1 TYR 55 -1.244 2.279 5.776 422 HE1 TYR 55 HE2 TYR 55 -2.448 3.742 10.382 423 HE2 TYR 55 HE1 TYR 55 -1.222 4.694 6.358 424 HH TYR 55 HH TYR 55 -1.697 6.288 7.987 425 H LYS 56 H LYS 56 -1.003 -2.890 9.175 426 HA LYS 56 HA LYS 56 -0.157 -4.601 6.971 427 HB2 LYS 56 HB2 LYS 56 -1.333 -5.218 9.693 428 HB3 LYS 56 HB3 LYS 56 -1.182 -6.445 8.436 429 HG2 LYS 56 HG2 LYS 56 1.288 -5.824 8.235 430 HG3 LYS 56 HG3 LYS 56 1.077 -4.849 9.693 431 HD2 LYS 56 HD2 LYS 56 2.001 -6.982 10.319 432 HD3 LYS 56 HD3 LYS 56 0.323 -6.949 10.892 433 HE2 LYS 56 HE2 LYS 56 -0.377 -8.274 8.910 434 HE3 LYS 56 HE3 LYS 56 1.277 -8.243 8.288 435 HZ1 LYS 56 HZ1 LYS 56 1.978 -9.592 10.149 436 HZ2 LYS 56 HZ2 LYS 56 0.496 -9.503 10.862 437 HZ3 LYS 56 HZ3 LYS 56 0.680 -10.315 9.452 438 H LEU 57 H LEU 57 -1.164 -5.592 5.530 439 HA LEU 57 HA LEU 57 -4.143 -5.610 5.239 440 HB2 LEU 57 HB2 LEU 57 -1.818 -5.774 3.296 441 HB3 LEU 57 HB3 LEU 57 -3.446 -6.243 2.820 442 HG LEU 57 HG LEU 57 -2.945 -3.507 3.977 443 HD11 LEU 57 HD11 LEU 57 -1.281 -3.554 2.288 444 HD12 LEU 57 HD12 LEU 57 -2.276 -4.500 1.189 445 HD13 LEU 57 HD13 LEU 57 -2.677 -2.804 1.483 446 HD21 LEU 57 HD21 LEU 57 -4.837 -4.505 1.809 447 HD22 LEU 57 HD22 LEU 57 -5.285 -4.323 3.517 448 HD23 LEU 57 HD23 LEU 57 -4.843 -2.895 2.561 449 H SER 58 H SER 58 -4.208 -7.256 6.795 450 HA SER 58 HA SER 58 -2.529 -9.644 6.649 451 HB2 SER 58 HB2 SER 58 -4.830 -8.859 8.463 452 HB3 SER 58 HB3 SER 58 -3.899 -10.356 8.630 453 HG SER 58 HG SER 58 -3.098 -8.624 9.948 454 H ALA 59 H ALA 59 -3.078 -11.702 6.016 455 HA ALA 59 HA ALA 59 -5.485 -12.009 4.358 456 HB1 ALA 59 HB1 ALA 59 -3.363 -12.908 3.578 457 HB2 ALA 59 HB2 ALA 59 -3.233 -13.935 5.025 458 HB3 ALA 59 HB3 ALA 59 -4.530 -14.216 3.843 459 H GLU 60 H GLU 60 -7.374 -12.739 5.032 460 HA GLU 60 HA GLU 60 -7.633 -14.512 7.429 461 HB2 GLU 60 HB2 GLU 60 -7.961 -12.107 8.039 462 HB3 GLU 60 HB3 GLU 60 -9.280 -12.006 6.868 463 HG2 GLU 60 HG2 GLU 60 -10.451 -13.861 8.126 464 HG3 GLU 60 HG3 GLU 60 -9.154 -13.816 9.323 465 H GLU 61 H GLU 61 -8.475 -16.347 6.602 466 HA GLU 61 HA GLU 61 -9.560 -17.819 5.258 467 HB2 GLU 61 HB2 GLU 61 -11.847 -15.851 5.517 468 HB3 GLU 61 HB3 GLU 61 -11.962 -17.547 5.028 469 HG2 GLU 61 HG2 GLU 61 -10.952 -18.204 7.242 470 HG3 GLU 61 HG3 GLU 61 -11.066 -16.516 7.749 471 H GLY 62 H GLY 62 -7.956 -15.977 3.841 472 HA2 GLY 62 HA2 GLY 62 -7.307 -15.806 1.599 473 HA3 GLY 62 HA3 GLY 62 -8.877 -16.417 1.080 474 H LYS 63 H LYS 63 -9.508 -13.931 3.213 475 HA LYS 63 HA LYS 63 -9.670 -11.802 1.110 476 HB2 LYS 63 HB2 LYS 63 -11.381 -12.268 3.593 477 HB3 LYS 63 HB3 LYS 63 -11.525 -10.899 2.496 478 HG2 LYS 63 HG2 LYS 63 -11.858 -12.591 0.602 479 HG3 LYS 63 HG3 LYS 63 -12.036 -13.826 1.863 480 HD2 LYS 63 HD2 LYS 63 -13.900 -12.417 2.852 481 HD3 LYS 63 HD3 LYS 63 -13.790 -11.364 1.442 482 HE2 LYS 63 HE2 LYS 63 -14.533 -14.320 1.504 483 HE3 LYS 63 HE3 LYS 63 -15.604 -12.963 1.154 484 HZ1 LYS 63 HZ1 LYS 63 -14.249 -12.556 -0.899 485 HZ2 LYS 63 HZ2 LYS 63 -13.355 -13.879 -0.560 486 HZ3 LYS 63 HZ3 LYS 63 -14.941 -14.033 -0.890 487 H ILE 64 H ILE 64 -9.754 -9.532 2.291 488 HA ILE 64 HA ILE 64 -7.095 -9.346 3.661 489 HB ILE 64 HB ILE 64 -8.547 -7.522 1.725 490 HG12 ILE 64 HG12 ILE 64 -7.400 -9.400 0.645 491 HG13 ILE 64 HG13 ILE 64 -6.663 -7.865 0.253 492 HG21 ILE 64 HG21 ILE 64 -7.515 -6.027 3.307 493 HG22 ILE 64 HG22 ILE 64 -5.988 -6.935 3.265 494 HG23 ILE 64 HG23 ILE 64 -6.560 -6.039 1.835 495 HD11 ILE 64 HD11 ILE 64 -4.807 -8.327 1.863 496 HD12 ILE 64 HD12 ILE 64 -5.539 -9.912 2.217 497 HD13 ILE 64 HD13 ILE 64 -4.942 -9.550 0.591 498 H ARG 65 H ARG 65 -7.086 -8.779 5.692 499 HA ARG 65 HA ARG 65 -9.190 -6.966 6.814 500 HB2 ARG 65 HB2 ARG 65 -8.968 -9.196 7.894 501 HB3 ARG 65 HB3 ARG 65 -7.265 -8.883 8.179 502 HG2 ARG 65 HG2 ARG 65 -8.306 -8.488 10.244 503 HG3 ARG 65 HG3 ARG 65 -7.941 -6.895 9.614 504 HD2 ARG 65 HD2 ARG 65 -10.108 -6.737 10.544 505 HD3 ARG 65 HD3 ARG 65 -10.378 -6.791 8.796 506 HE ARG 65 HE ARG 65 -10.467 -9.461 9.753 507 HH11 ARG 65 HH11 ARG 65 -12.451 -6.575 10.370 508 HH12 ARG 65 HH12 ARG 65 -13.847 -7.560 10.679 509 HH21 ARG 65 HH21 ARG 65 -12.313 -10.566 10.029 510 HH22 ARG 65 HH22 ARG 65 -13.776 -9.742 10.527 511 H ILE 66 H ILE 66 -8.626 -4.927 7.271 512 HA ILE 66 HA ILE 66 -5.839 -4.278 8.024 513 HB ILE 66 HB ILE 66 -5.741 -3.827 5.726 514 HG12 ILE 66 HG12 ILE 66 -6.223 -1.124 7.013 515 HG13 ILE 66 HG13 ILE 66 -4.830 -2.122 7.403 516 HG21 ILE 66 HG21 ILE 66 -8.144 -3.724 5.162 517 HG22 ILE 66 HG22 ILE 66 -8.254 -2.129 5.929 518 HG23 ILE 66 HG23 ILE 66 -7.264 -2.372 4.473 519 HD11 ILE 66 HD11 ILE 66 -4.008 -1.999 5.128 520 HD12 ILE 66 HD12 ILE 66 -5.441 -1.095 4.597 521 HD13 ILE 66 HD13 ILE 66 -4.310 -0.367 5.741 522 H ASP 67 H ASP 67 -5.703 -3.044 9.714 523 HA ASP 67 HA ASP 67 -6.308 -2.166 11.678 524 HB2 ASP 67 HB2 ASP 67 -6.556 -0.117 10.356 525 HB3 ASP 67 HB3 ASP 67 -8.263 -0.466 10.107 526 H THR 68 H THR 68 -9.692 -1.727 10.827 527 HA THR 68 HA THR 68 -10.427 -4.321 12.148 528 HB THR 68 HB THR 68 -12.534 -3.258 12.850 529 HG1 THR 68 HG1 THR 68 -12.663 -0.995 12.763 530 HG21 THR 68 HG21 THR 68 -10.605 -3.335 14.425 531 HG22 THR 68 HG22 THR 68 -10.113 -1.716 13.882 532 HG23 THR 68 HG23 THR 68 -11.669 -1.947 14.707 533 H HIS 69 H HIS 69 -10.487 -2.617 9.199 534 HA HIS 69 HA HIS 69 -13.146 -3.415 8.307 535 HB2 HIS 69 HB2 HIS 69 -10.826 -2.049 6.883 536 HB3 HIS 69 HB3 HIS 69 -12.445 -2.287 6.224 537 HD1 HIS 69 HD1 HIS 69 -14.390 -0.672 7.178 538 HD2 HIS 69 HD2 HIS 69 -10.505 -0.055 8.677 539 HE1 HIS 69 HE1 HIS 69 -14.436 1.578 8.375 540 H LEU 70 H LEU 70 -13.615 -5.050 7.030 541 HA LEU 70 HA LEU 70 -11.460 -6.793 5.924 542 HB2 LEU 70 HB2 LEU 70 -13.087 -7.820 7.592 543 HB3 LEU 70 HB3 LEU 70 -14.351 -7.559 6.395 544 HG LEU 70 HG LEU 70 -12.911 -8.980 4.779 545 HD11 LEU 70 HD11 LEU 70 -10.791 -8.877 6.159 546 HD12 LEU 70 HD12 LEU 70 -11.595 -9.853 7.392 547 HD13 LEU 70 HD13 LEU 70 -11.310 -10.522 5.775 548 HD21 LEU 70 HD21 LEU 70 -14.012 -10.287 7.299 549 HD22 LEU 70 HD22 LEU 70 -14.947 -9.835 5.855 550 HD23 LEU 70 HD23 LEU 70 -13.709 -11.096 5.744 551 H PHE 71 H PHE 71 -11.265 -7.029 3.813 552 HA PHE 71 HA PHE 71 -13.378 -6.115 1.913 553 HB2 PHE 71 HB2 PHE 71 -10.378 -5.657 1.672 554 HB3 PHE 71 HB3 PHE 71 -11.598 -5.238 0.481 555 HD1 PHE 71 HD2 PHE 71 -13.419 -3.512 1.162 556 HD2 PHE 71 HD1 PHE 71 -9.804 -4.158 3.424 557 HE1 PHE 71 HE2 PHE 71 -13.756 -1.344 2.327 558 HE2 PHE 71 HE1 PHE 71 -10.117 -1.960 4.541 559 HZ PHE 71 HZ PHE 71 -12.108 -0.577 4.027 560 H ASP 72 H ASP 72 -13.356 -7.190 -0.129 561 HA ASP 72 HA ASP 72 -12.761 -9.961 0.020 562 HB2 ASP 72 HB2 ASP 72 -14.563 -9.021 -1.344 563 HB3 ASP 72 HB3 ASP 72 -13.394 -8.164 -2.352 564 H ASN 73 H ASN 73 -10.893 -7.301 -1.334 565 HA ASN 73 HA ASN 73 -8.504 -8.950 -1.723 566 HB2 ASN 73 HB2 ASN 73 -8.354 -8.397 -4.156 567 HB3 ASN 73 HB3 ASN 73 -9.724 -9.435 -3.785 568 HD21 ASN 73 HD22 ASN 73 -11.819 -8.715 -4.356 569 HD22 ASN 73 HD21 ASN 73 -12.075 -7.113 -5.049 570 H LEU 74 H LEU 74 -6.720 -7.558 -2.735 571 HA LEU 74 HA LEU 74 -6.236 -5.318 -1.054 572 HB2 LEU 74 HB2 LEU 74 -4.916 -6.261 -3.628 573 HB3 LEU 74 HB3 LEU 74 -4.308 -4.935 -2.640 574 HG LEU 74 HG LEU 74 -4.547 -7.833 -1.747 575 HD11 LEU 74 HD11 LEU 74 -2.732 -7.380 -3.371 576 HD12 LEU 74 HD12 LEU 74 -2.141 -6.064 -2.332 577 HD13 LEU 74 HD13 LEU 74 -2.087 -7.745 -1.759 578 HD21 LEU 74 HD21 LEU 74 -3.525 -5.341 -0.344 579 HD22 LEU 74 HD22 LEU 74 -4.828 -6.407 0.210 580 HD23 LEU 74 HD23 LEU 74 -3.163 -6.994 0.215 581 H ASP 75 H ASP 75 -7.297 -5.373 -4.493 582 HA ASP 75 HA ASP 75 -7.027 -2.554 -4.909 583 HB2 ASP 75 HB2 ASP 75 -7.148 -4.250 -6.703 584 HB3 ASP 75 HB3 ASP 75 -8.831 -4.573 -6.296 585 H ALA 76 H ALA 76 -9.775 -4.490 -3.685 586 HA ALA 76 HA ALA 76 -11.639 -2.320 -3.472 587 HB1 ALA 76 HB1 ALA 76 -12.307 -4.680 -3.416 588 HB2 ALA 76 HB2 ALA 76 -11.412 -4.921 -1.899 589 HB3 ALA 76 HB3 ALA 76 -12.830 -3.851 -1.935 590 H ALA 77 H ALA 77 -9.138 -3.513 -1.180 591 HA ALA 77 HA ALA 77 -9.869 -1.740 0.968 592 HB1 ALA 77 HB1 ALA 77 -8.513 -3.826 1.208 593 HB2 ALA 77 HB2 ALA 77 -7.175 -3.037 0.352 594 HB3 ALA 77 HB3 ALA 77 -7.722 -2.403 1.916 595 H ILE 78 H ILE 78 -7.456 -1.421 -1.683 596 HA ILE 78 HA ILE 78 -6.548 1.226 -1.032 597 HB ILE 78 HB ILE 78 -6.761 -0.258 -3.682 598 HG12 ILE 78 HG12 ILE 78 -5.240 -1.398 -2.193 599 HG13 ILE 78 HG13 ILE 78 -4.334 -0.614 -3.461 600 HG21 ILE 78 HG21 ILE 78 -6.645 2.112 -4.220 601 HG22 ILE 78 HG22 ILE 78 -5.260 2.322 -3.130 602 HG23 ILE 78 HG23 ILE 78 -5.105 1.334 -4.589 603 HD11 ILE 78 HD11 ILE 78 -3.723 1.208 -1.822 604 HD12 ILE 78 HD12 ILE 78 -4.584 0.294 -0.561 605 HD13 ILE 78 HD13 ILE 78 -3.177 -0.411 -1.364 606 H THR 79 H THR 79 -9.147 0.181 -3.216 607 HA THR 79 HA THR 79 -10.115 2.727 -3.976 608 HB THR 79 HB THR 79 -11.710 0.151 -3.679 609 HG1 THR 79 HG1 THR 79 -10.083 -0.155 -5.093 610 HG21 THR 79 HG21 THR 79 -13.268 2.018 -3.963 611 HG22 THR 79 HG22 THR 79 -12.282 2.681 -5.288 612 HG23 THR 79 HG23 THR 79 -13.135 1.132 -5.485 613 H PHE 80 H PHE 80 -11.071 0.793 -1.073 614 HA PHE 80 HA PHE 80 -13.043 2.625 -0.133 615 HB2 PHE 80 HB2 PHE 80 -12.749 0.366 0.746 616 HB3 PHE 80 HB3 PHE 80 -11.173 0.788 1.402 617 HD1 PHE 80 HD1 PHE 80 -14.839 1.322 1.742 618 HD2 PHE 80 HD2 PHE 80 -10.957 2.088 3.456 619 HE1 PHE 80 HE1 PHE 80 -15.917 2.114 3.836 620 HE2 PHE 80 HE2 PHE 80 -12.037 2.874 5.549 621 HZ PHE 80 HZ PHE 80 -14.517 2.893 5.741 622 H TYR 81 H TYR 81 -9.489 2.538 0.543 623 HA TYR 81 HA TYR 81 -9.679 5.003 2.060 624 HB2 TYR 81 HB2 TYR 81 -7.289 3.375 1.216 625 HB3 TYR 81 HB3 TYR 81 -7.213 4.817 2.232 626 HD1 TYR 81 HD2 TYR 81 -9.116 4.772 4.228 627 HD2 TYR 81 HD1 TYR 81 -7.120 1.378 2.463 628 HE1 TYR 81 HE2 TYR 81 -9.502 3.458 6.309 629 HE2 TYR 81 HE1 TYR 81 -7.518 0.070 4.536 630 HH TYR 81 HH TYR 81 -8.374 0.080 6.663 631 H MET 82 H MET 82 -9.636 4.568 -1.288 632 HA MET 82 HA MET 82 -8.472 7.201 -1.935 633 HB2 MET 82 HB2 MET 82 -10.282 5.295 -3.471 634 HB3 MET 82 HB3 MET 82 -9.764 6.843 -4.102 635 HG2 MET 82 HG2 MET 82 -7.742 4.772 -3.213 636 HG3 MET 82 HG3 MET 82 -8.490 4.744 -4.809 637 HE1 MET 82 HE1 MET 82 -5.522 4.674 -4.709 638 HE2 MET 82 HE2 MET 82 -6.428 4.884 -6.223 639 HE3 MET 82 HE3 MET 82 -5.040 5.937 -5.872 640 H GLU 83 H GLU 83 -11.680 5.852 -1.181 641 HA GLU 83 HA GLU 83 -13.075 8.410 -1.621 642 HB2 GLU 83 HB2 GLU 83 -13.988 5.666 -0.670 643 HB3 GLU 83 HB3 GLU 83 -15.064 7.039 -0.906 644 HG2 GLU 83 HG2 GLU 83 -13.372 5.770 -3.107 645 HG3 GLU 83 HG3 GLU 83 -15.066 5.424 -2.801 646 H HIS 84 H HIS 84 -11.856 6.586 1.144 647 HA HIS 84 HA HIS 84 -12.930 8.653 3.021 648 HB2 HIS 84 HB2 HIS 84 -12.567 5.678 3.527 649 HB3 HIS 84 HB3 HIS 84 -13.205 6.866 4.662 650 HD1 HIS 84 HD1 HIS 84 -15.672 8.023 3.799 651 HD2 HIS 84 HD2 HIS 84 -14.300 4.490 1.970 652 HE1 HIS 84 HE1 HIS 84 -17.680 7.018 2.593 653 H GLU 85 H GLU 85 -11.617 9.298 4.752 654 HA GLU 85 HA GLU 85 -8.790 9.259 4.280 655 HB2 GLU 85 HB2 GLU 85 -10.367 10.076 6.748 656 HB3 GLU 85 HB3 GLU 85 -8.636 10.361 6.514 657 HG2 GLU 85 HG2 GLU 85 -9.069 11.759 4.557 658 HG3 GLU 85 HG3 GLU 85 -10.804 11.441 4.657 659 H LEU 86 H LEU 86 -7.133 8.078 5.111 660 HA LEU 86 HA LEU 86 -7.767 5.449 6.146 661 HB2 LEU 86 HB2 LEU 86 -6.019 6.194 4.401 662 HB3 LEU 86 HB3 LEU 86 -5.010 6.670 5.755 663 HG LEU 86 HG LEU 86 -6.077 3.892 5.139 664 HD11 LEU 86 HD11 LEU 86 -4.305 4.656 3.636 665 HD12 LEU 86 HD12 LEU 86 -3.278 5.071 5.028 666 HD13 LEU 86 HD13 LEU 86 -3.697 3.376 4.698 667 HD21 LEU 86 HD21 LEU 86 -4.357 4.808 7.453 668 HD22 LEU 86 HD22 LEU 86 -5.901 3.923 7.514 669 HD23 LEU 86 HD23 LEU 86 -4.459 3.116 6.917 670 H GLU 87 H GLU 87 -5.526 7.930 7.348 671 HA GLU 87 HA GLU 87 -6.571 7.612 10.126 672 HB2 GLU 87 HB2 GLU 87 -4.590 6.082 9.845 673 HB3 GLU 87 HB3 GLU 87 -3.622 7.496 9.418 674 HG2 GLU 87 HG2 GLU 87 -3.162 6.983 11.693 675 HG3 GLU 87 HG3 GLU 87 -4.104 8.464 11.688 676 H TYR 88 H TYR 88 -4.194 9.374 8.079 677 HA TYR 88 HA TYR 88 -4.934 11.947 9.428 678 HB2 TYR 88 HB2 TYR 88 -2.531 11.200 7.768 679 HB3 TYR 88 HB3 TYR 88 -2.772 12.737 8.540 680 HD1 TYR 88 HD1 TYR 88 -1.835 9.207 9.053 681 HD2 TYR 88 HD2 TYR 88 -2.511 12.999 10.997 682 HE1 TYR 88 HE1 TYR 88 -0.666 8.370 11.075 683 HE2 TYR 88 HE2 TYR 88 -1.307 12.161 13.022 684 HH TYR 88 HH TYR 88 -0.034 8.819 13.226 685 H SER 89 H SER 89 -4.613 10.295 6.263 686 HA SER 89 HA SER 89 -6.531 12.182 5.086 687 HB2 SER 89 HB2 SER 89 -4.129 13.156 4.849 688 HB3 SER 89 HB3 SER 89 -3.853 11.840 3.699 689 HG SER 89 HG SER 89 -5.733 13.984 3.590 690 H SER 90 H SER 90 -6.826 11.631 2.656 691 HA SER 90 HA SER 90 -7.314 8.729 2.340 692 HB2 SER 90 HB2 SER 90 -7.937 11.015 0.442 693 HB3 SER 90 HB3 SER 90 -8.554 9.356 0.354 694 HG SER 90 HG SER 90 -10.041 10.844 1.324 695 H LEU 91 H LEU 91 -6.701 7.596 0.395 696 HA LEU 91 HA LEU 91 -3.974 7.948 -0.548 697 HB2 LEU 91 HB2 LEU 91 -6.249 6.315 -1.746 698 HB3 LEU 91 HB3 LEU 91 -4.541 6.151 -2.116 699 HG LEU 91 HG LEU 91 -5.956 5.415 0.460 700 HD11 LEU 91 HD11 LEU 91 -6.139 3.840 -1.481 701 HD12 LEU 91 HD12 LEU 91 -4.370 3.739 -1.522 702 HD13 LEU 91 HD13 LEU 91 -5.269 3.139 -0.114 703 HD21 LEU 91 HD21 LEU 91 -2.987 5.337 -0.126 704 HD22 LEU 91 HD22 LEU 91 -3.797 6.291 1.136 705 HD23 LEU 91 HD23 LEU 91 -3.775 4.527 1.238 706 H LYS 92 H LYS 92 -3.243 8.725 -2.544 707 HA LYS 92 HA LYS 92 -5.212 10.168 -4.295 708 HB2 LYS 92 HB2 LYS 92 -2.618 11.338 -3.237 709 HB3 LYS 92 HB3 LYS 92 -3.740 12.107 -4.369 710 HG2 LYS 92 HG2 LYS 92 -5.527 12.043 -2.627 711 HG3 LYS 92 HG3 LYS 92 -4.363 11.321 -1.506 712 HD2 LYS 92 HD2 LYS 92 -2.908 13.384 -1.810 713 HD3 LYS 92 HD3 LYS 92 -4.240 14.092 -2.731 714 HE2 LYS 92 HE2 LYS 92 -4.400 14.881 -0.451 715 HE3 LYS 92 HE3 LYS 92 -5.746 13.782 -0.757 716 HZ1 LYS 92 HZ1 LYS 92 -4.497 12.028 0.418 717 HZ2 LYS 92 HZ2 LYS 92 -3.242 13.063 0.677 718 HZ3 LYS 92 HZ3 LYS 92 -4.687 13.323 1.388 719 H GLN 93 H GLN 93 -1.849 8.865 -4.144 720 HA GLN 93 HA GLN 93 -2.200 8.039 -6.938 721 HB2 GLN 93 HB2 GLN 93 -0.051 8.985 -7.692 722 HB3 GLN 93 HB3 GLN 93 -1.281 10.189 -7.388 723 HG2 GLN 93 HG2 GLN 93 0.915 9.537 -5.370 724 HG3 GLN 93 HG3 GLN 93 1.135 10.695 -6.663 725 HE21 GLN 93 HE22 GLN 93 1.215 11.173 -3.763 726 HE22 GLN 93 HE21 GLN 93 -0.017 12.388 -3.437 727 HA PRO 94 HA PRO 94 0.402 4.659 -5.488 728 HB2 PRO 94 HB2 PRO 94 0.985 3.403 -7.821 729 HB3 PRO 94 HB3 PRO 94 -0.674 3.409 -7.146 730 HG2 PRO 94 HG2 PRO 94 0.438 5.235 -9.289 731 HG3 PRO 94 HG3 PRO 94 -1.083 4.281 -9.315 732 HD2 PRO 94 HD2 PRO 94 -1.021 6.918 -8.592 733 HD3 PRO 94 HD3 PRO 94 -2.150 5.757 -7.830 734 H LEU 95 H LEU 95 2.649 4.176 -5.377 735 HA LEU 95 HA LEU 95 4.541 6.169 -6.331 736 HB2 LEU 95 HB2 LEU 95 4.767 5.020 -4.151 737 HB3 LEU 95 HB3 LEU 95 4.934 3.479 -4.974 738 HG LEU 95 HG LEU 95 7.068 4.278 -6.016 739 HD11 LEU 95 HD11 LEU 95 6.677 6.743 -5.960 740 HD12 LEU 95 HD12 LEU 95 6.688 6.683 -4.186 741 HD13 LEU 95 HD13 LEU 95 8.159 6.307 -5.107 742 HD21 LEU 95 HD21 LEU 95 7.110 4.591 -3.011 743 HD22 LEU 95 HD22 LEU 95 7.040 3.029 -3.866 744 HD23 LEU 95 HD23 LEU 95 8.440 4.088 -4.077 745 H GLN 96 H GLN 96 6.329 5.815 -7.727 746 HA GLN 96 HA GLN 96 5.717 4.149 -10.094 747 HB2 GLN 96 HB2 GLN 96 7.589 6.487 -9.598 748 HB3 GLN 96 HB3 GLN 96 7.587 5.546 -11.086 749 HG2 GLN 96 HG2 GLN 96 6.277 7.590 -11.367 750 HG3 GLN 96 HG3 GLN 96 5.285 6.152 -11.575 751 HE21 GLN 96 HE22 GLN 96 3.261 6.386 -10.632 752 HE22 GLN 96 HE21 GLN 96 3.008 7.151 -9.067 753 H ARG 97 H ARG 97 7.086 2.627 -10.960 754 HA ARG 97 HA ARG 97 9.706 2.081 -9.760 755 HB2 ARG 97 HB2 ARG 97 9.384 -0.218 -9.417 756 HB3 ARG 97 HB3 ARG 97 8.164 0.627 -8.499 757 HG2 ARG 97 HG2 ARG 97 7.273 -0.330 -11.197 758 HG3 ARG 97 HG3 ARG 97 7.786 -1.578 -10.085 759 HD2 ARG 97 HD2 ARG 97 5.446 -1.394 -9.814 760 HD3 ARG 97 HD3 ARG 97 6.196 -0.744 -8.364 761 HE ARG 97 HE ARG 97 5.099 1.225 -8.756 762 HH11 ARG 97 HH11 ARG 97 5.177 -0.420 -11.861 763 HH12 ARG 97 HH12 ARG 97 4.243 0.830 -12.631 764 HH21 ARG 97 HH21 ARG 97 3.870 2.668 -9.747 765 HH22 ARG 97 HH22 ARG 97 3.516 2.561 -11.465 Start of MODEL 21 1 H1 GLY -6 H1 GLY -6 8.835 -14.162 -39.334 2 H2 GLY -6 H2 GLY -6 7.613 -13.264 -39.951 3 H3 GLY -6 H3 GLY -6 8.840 -13.753 -40.921 4 HA2 GLY -6 HA2 GLY -6 10.425 -12.397 -39.738 5 HA3 GLY -6 HA3 GLY -6 9.093 -11.422 -40.388 6 H SER -5 H SER -5 9.574 -9.834 -38.804 7 HA SER -5 HA SER -5 9.373 -8.663 -36.897 8 HB2 SER -5 HB2 SER -5 7.244 -10.674 -36.113 9 HB3 SER -5 HB3 SER -5 7.487 -9.066 -35.413 10 HG SER -5 HG SER -5 5.871 -9.069 -37.048 11 H SER -4 H SER -4 9.348 -8.729 -34.373 12 HA SER -4 HA SER -4 11.817 -10.015 -33.595 13 HB2 SER -4 HB2 SER -4 11.433 -8.802 -31.473 14 HB3 SER -4 HB3 SER -4 11.256 -7.753 -32.893 15 HG SER -4 HG SER -4 9.535 -7.486 -31.366 16 H GLY -3 H GLY -3 8.498 -10.983 -33.260 17 HA2 GLY -3 HA2 GLY -3 7.595 -12.935 -32.413 18 HA3 GLY -3 HA3 GLY -3 9.200 -13.458 -31.905 19 H SER -2 H SER -2 8.362 -10.351 -30.648 20 HA SER -2 HA SER -2 7.063 -11.392 -28.198 21 HB2 SER -2 HB2 SER -2 9.464 -11.582 -27.721 22 HB3 SER -2 HB3 SER -2 9.702 -9.878 -28.155 23 HG SER -2 HG SER -2 9.448 -10.307 -25.855 24 H SER -1 H SER -1 5.847 -9.908 -27.104 25 HA SER -1 HA SER -1 5.159 -7.383 -28.409 26 HB2 SER -1 HB2 SER -1 4.244 -8.538 -25.747 27 HB3 SER -1 HB3 SER -1 3.518 -7.165 -26.606 28 HG SER -1 HG SER -1 2.395 -9.129 -27.010 29 H GLY 0 H GLY 0 7.536 -8.265 -26.064 30 HA2 GLY 0 HA2 GLY 0 9.002 -7.044 -24.789 31 HA3 GLY 0 HA3 GLY 0 8.547 -5.624 -25.734 32 H MET 1 H MET 1 6.055 -7.252 -23.916 33 HA MET 1 HA MET 1 5.433 -4.785 -22.544 34 HB2 MET 1 HB2 MET 1 3.376 -5.879 -21.903 35 HB3 MET 1 HB3 MET 1 3.719 -6.151 -23.610 36 HG2 MET 1 HG2 MET 1 4.612 -8.427 -23.025 37 HG3 MET 1 HG3 MET 1 4.148 -8.140 -21.345 38 HE1 MET 1 HE1 MET 1 3.291 -10.698 -23.025 39 HE2 MET 1 HE2 MET 1 2.821 -10.416 -21.331 40 HE3 MET 1 HE3 MET 1 1.590 -10.853 -22.536 41 H ALA 2 H ALA 2 4.917 -4.519 -20.326 42 HA ALA 2 HA ALA 2 6.856 -5.655 -18.458 43 HB1 ALA 2 HB1 ALA 2 6.263 -3.251 -18.482 44 HB2 ALA 2 HB2 ALA 2 4.582 -3.664 -18.063 45 HB3 ALA 2 HB3 ALA 2 5.897 -3.997 -16.919 46 H GLU 3 H GLU 3 5.932 -6.196 -16.156 47 HA GLU 3 HA GLU 3 4.233 -8.505 -16.323 48 HB2 GLU 3 HB2 GLU 3 6.234 -8.375 -14.862 49 HB3 GLU 3 HB3 GLU 3 5.497 -7.050 -13.964 50 HG2 GLU 3 HG2 GLU 3 5.319 -9.130 -12.724 51 HG3 GLU 3 HG3 GLU 3 3.720 -8.548 -13.151 52 H ALA 4 H ALA 4 2.385 -8.763 -15.371 53 HA ALA 4 HA ALA 4 0.456 -6.595 -15.632 54 HB1 ALA 4 HB1 ALA 4 0.127 -8.830 -16.633 55 HB2 ALA 4 HB2 ALA 4 0.039 -9.545 -15.006 56 HB3 ALA 4 HB3 ALA 4 -1.206 -8.398 -15.548 57 H ALA 5 H ALA 5 2.245 -6.936 -13.053 58 HA ALA 5 HA ALA 5 0.412 -7.187 -10.842 59 HB1 ALA 5 HB1 ALA 5 2.836 -7.599 -10.647 60 HB2 ALA 5 HB2 ALA 5 3.168 -5.890 -11.021 61 HB3 ALA 5 HB3 ALA 5 2.315 -6.328 -9.526 62 H ALA 6 H ALA 6 -0.330 -5.535 -9.405 63 HA ALA 6 HA ALA 6 -1.581 -3.307 -10.598 64 HB1 ALA 6 HB1 ALA 6 -2.339 -4.438 -8.553 65 HB2 ALA 6 HB2 ALA 6 -0.924 -3.817 -7.673 66 HB3 ALA 6 HB3 ALA 6 -2.145 -2.698 -8.304 67 HA PRO 7 HA PRO 7 1.525 -0.239 -10.921 68 HB2 PRO 7 HB2 PRO 7 0.190 2.139 -10.619 69 HB3 PRO 7 HB3 PRO 7 -0.015 1.057 -12.029 70 HG2 PRO 7 HG2 PRO 7 -1.749 1.214 -9.541 71 HG3 PRO 7 HG3 PRO 7 -2.273 1.240 -11.258 72 HD2 PRO 7 HD2 PRO 7 -2.325 -1.049 -9.823 73 HD3 PRO 7 HD3 PRO 7 -1.798 -1.068 -11.532 74 H TRP 8 H TRP 8 -0.255 -0.312 -7.907 75 HA TRP 8 HA TRP 8 1.721 1.319 -6.438 76 HB2 TRP 8 HB2 TRP 8 0.048 0.560 -4.522 77 HB3 TRP 8 HB3 TRP 8 -0.325 1.848 -5.619 78 HD1 TRP 8 HD1 TRP 8 -2.400 1.622 -7.144 79 HE1 TRP 8 HE1 TRP 8 -4.253 -0.128 -7.471 80 HE3 TRP 8 HE3 TRP 8 -0.387 -2.220 -4.440 81 HZ2 TRP 8 HZ2 TRP 8 -4.860 -2.777 -6.555 82 HZ3 TRP 8 HZ3 TRP 8 -1.627 -4.371 -4.190 83 HH2 TRP 8 HH2 TRP 8 -3.842 -4.660 -5.279 84 H TYR 9 H TYR 9 1.758 -1.920 -7.395 85 HA TYR 9 HA TYR 9 2.585 -2.941 -4.741 86 HB2 TYR 9 HB2 TYR 9 0.884 -4.071 -6.223 87 HB3 TYR 9 HB3 TYR 9 2.211 -4.520 -7.290 88 HD1 TYR 9 HD2 TYR 9 0.770 -4.847 -3.886 89 HD2 TYR 9 HD1 TYR 9 3.748 -6.315 -6.637 90 HE1 TYR 9 HE2 TYR 9 1.299 -6.681 -2.302 91 HE2 TYR 9 HE1 TYR 9 4.264 -8.179 -5.072 92 HH TYR 9 HH TYR 9 3.866 -9.111 -3.039 93 H HIS 10 H HIS 10 4.575 -3.281 -4.113 94 HA HIS 10 HA HIS 10 6.826 -3.096 -6.082 95 HB2 HIS 10 HB2 HIS 10 6.503 -2.146 -3.226 96 HB3 HIS 10 HB3 HIS 10 8.084 -2.322 -3.977 97 HD1 HIS 10 HD1 HIS 10 8.927 -0.343 -5.410 98 HD2 HIS 10 HD2 HIS 10 4.795 -0.330 -4.652 99 HE1 HIS 10 HE1 HIS 10 8.041 1.877 -6.300 100 H GLY 11 H GLY 11 5.356 -5.542 -4.326 101 HA2 GLY 11 HA2 GLY 11 6.093 -7.690 -3.784 102 HA3 GLY 11 HA3 GLY 11 7.580 -7.332 -4.653 103 HA PRO 12 HA PRO 12 8.724 -7.734 -0.215 104 HB2 PRO 12 HB2 PRO 12 11.130 -8.955 -0.437 105 HB3 PRO 12 HB3 PRO 12 9.602 -9.787 -0.838 106 HG2 PRO 12 HG2 PRO 12 11.485 -8.380 -2.766 107 HG3 PRO 12 HG3 PRO 12 10.847 -10.055 -2.873 108 HD2 PRO 12 HD2 PRO 12 9.676 -7.954 -4.175 109 HD3 PRO 12 HD3 PRO 12 8.708 -9.299 -3.499 110 H LEU 13 H LEU 13 8.648 -5.235 -0.924 111 HA LEU 13 HA LEU 13 11.217 -3.859 -0.776 112 HB2 LEU 13 HB2 LEU 13 8.979 -3.060 -1.864 113 HB3 LEU 13 HB3 LEU 13 8.483 -2.682 -0.220 114 HG LEU 13 HG LEU 13 10.506 -1.172 -0.027 115 HD11 LEU 13 HD11 LEU 13 11.909 -2.009 -1.847 116 HD12 LEU 13 HD12 LEU 13 10.611 -1.724 -3.030 117 HD13 LEU 13 HD13 LEU 13 11.413 -0.356 -2.242 118 HD21 LEU 13 HD21 LEU 13 8.511 -0.507 -2.230 119 HD22 LEU 13 HD22 LEU 13 8.212 -0.341 -0.489 120 HD23 LEU 13 HD23 LEU 13 9.454 0.650 -1.267 121 H SER 14 H SER 14 12.183 -2.957 1.028 122 HA SER 14 HA SER 14 11.217 -3.740 3.719 123 HB2 SER 14 HB2 SER 14 13.755 -2.332 2.811 124 HB3 SER 14 HB3 SER 14 13.380 -2.803 4.480 125 HG SER 14 HG SER 14 14.672 -4.369 3.373 126 H ARG 15 H ARG 15 11.086 -2.181 5.470 127 HA ARG 15 HA ARG 15 9.455 0.088 5.032 128 HB2 ARG 15 HB2 ARG 15 11.279 -0.790 7.291 129 HB3 ARG 15 HB3 ARG 15 10.659 0.854 7.282 130 HG2 ARG 15 HG2 ARG 15 8.309 -0.066 7.063 131 HG3 ARG 15 HG3 ARG 15 9.001 -1.686 7.287 132 HD2 ARG 15 HD2 ARG 15 8.210 -0.858 9.431 133 HD3 ARG 15 HD3 ARG 15 9.990 -0.917 9.450 134 HE ARG 15 HE ARG 15 9.515 1.669 8.661 135 HH11 ARG 15 HH11 ARG 15 8.282 -0.030 11.482 136 HH12 ARG 15 HH12 ARG 15 8.226 1.447 12.407 137 HH21 ARG 15 HH21 ARG 15 9.511 3.347 9.807 138 HH22 ARG 15 HH22 ARG 15 8.907 3.386 11.467 139 H THR 16 H THR 16 12.991 0.180 5.641 140 HA THR 16 HA THR 16 13.317 2.909 5.444 141 HB THR 16 HB THR 16 15.371 0.959 4.347 142 HG1 THR 16 HG1 THR 16 15.991 0.699 6.503 143 HG21 THR 16 HG21 THR 16 16.032 3.319 4.196 144 HG22 THR 16 HG22 THR 16 15.568 3.586 5.893 145 HG23 THR 16 HG23 THR 16 16.949 2.538 5.489 146 H ASP 17 H ASP 17 13.192 0.670 2.667 147 HA ASP 17 HA ASP 17 13.809 2.650 0.635 148 HB2 ASP 17 HB2 ASP 17 12.516 -0.102 0.613 149 HB3 ASP 17 HB3 ASP 17 12.711 0.853 -0.843 150 H ALA 18 H ALA 18 10.743 1.349 1.978 151 HA ALA 18 HA ALA 18 8.988 2.874 0.305 152 HB1 ALA 18 HB1 ALA 18 8.283 0.871 1.570 153 HB2 ALA 18 HB2 ALA 18 8.583 1.707 3.103 154 HB3 ALA 18 HB3 ALA 18 7.296 2.274 2.034 155 H GLU 19 H GLU 19 10.348 3.531 3.555 156 HA GLU 19 HA GLU 19 9.002 6.013 3.977 157 HB2 GLU 19 HB2 GLU 19 11.530 4.870 5.214 158 HB3 GLU 19 HB3 GLU 19 10.766 6.380 5.724 159 HG2 GLU 19 HG2 GLU 19 8.641 5.126 6.170 160 HG3 GLU 19 HG3 GLU 19 9.469 3.628 5.779 161 H ASN 20 H ASN 20 12.278 5.380 2.593 162 HA ASN 20 HA ASN 20 12.885 8.192 2.279 163 HB2 ASN 20 HB2 ASN 20 14.005 5.631 1.099 164 HB3 ASN 20 HB3 ASN 20 14.475 7.194 0.440 165 HD21 ASN 20 HD22 ASN 20 14.591 5.202 3.368 166 HD22 ASN 20 HD21 ASN 20 15.858 6.168 4.137 167 H SER 21 H SER 21 11.235 5.857 0.094 168 HA SER 21 HA SER 21 11.025 7.766 -2.065 169 HB2 SER 21 HB2 SER 21 9.489 5.210 -1.499 170 HB3 SER 21 HB3 SER 21 9.274 6.214 -2.943 171 HG SER 21 HG SER 21 11.531 4.727 -2.133 172 H LEU 22 H LEU 22 8.657 6.863 0.506 173 HA LEU 22 HA LEU 22 6.745 8.776 -0.567 174 HB2 LEU 22 HB2 LEU 22 6.858 6.877 1.721 175 HB3 LEU 22 HB3 LEU 22 5.760 8.236 1.854 176 HG LEU 22 HG LEU 22 4.581 7.642 -0.133 177 HD11 LEU 22 HD11 LEU 22 6.216 6.705 -1.633 178 HD12 LEU 22 HD12 LEU 22 6.549 5.366 -0.502 179 HD13 LEU 22 HD13 LEU 22 4.974 5.486 -1.324 180 HD21 LEU 22 HD21 LEU 22 5.084 5.156 1.562 181 HD22 LEU 22 HD22 LEU 22 4.157 6.571 2.091 182 HD23 LEU 22 HD23 LEU 22 3.584 5.604 0.714 183 H LEU 23 H LEU 23 9.428 9.159 1.650 184 HA LEU 23 HA LEU 23 8.555 11.804 2.544 185 HB2 LEU 23 HB2 LEU 23 10.070 10.341 3.857 186 HB3 LEU 23 HB3 LEU 23 11.276 10.443 2.571 187 HG LEU 23 HG LEU 23 11.517 12.881 2.988 188 HD11 LEU 23 HD11 LEU 23 9.295 13.444 3.885 189 HD12 LEU 23 HD12 LEU 23 9.567 12.380 5.287 190 HD13 LEU 23 HD13 LEU 23 10.541 13.852 5.067 191 HD21 LEU 23 HD21 LEU 23 11.794 11.158 5.484 192 HD22 LEU 23 HD22 LEU 23 12.961 11.255 4.147 193 HD23 LEU 23 HD23 LEU 23 12.655 12.679 5.155 194 H ARG 24 H ARG 24 10.416 10.538 -0.183 195 HA ARG 24 HA ARG 24 11.171 13.146 -1.235 196 HB2 ARG 24 HB2 ARG 24 12.411 11.058 -1.706 197 HB3 ARG 24 HB3 ARG 24 10.992 10.372 -2.496 198 HG2 ARG 24 HG2 ARG 24 11.148 12.102 -4.281 199 HG3 ARG 24 HG3 ARG 24 12.559 12.794 -3.464 200 HD2 ARG 24 HD2 ARG 24 13.305 11.397 -5.291 201 HD3 ARG 24 HD3 ARG 24 13.778 10.645 -3.773 202 HE ARG 24 HE ARG 24 11.512 9.793 -5.560 203 HH11 ARG 24 HH11 ARG 24 13.816 8.824 -3.087 204 HH12 ARG 24 HH12 ARG 24 13.259 7.169 -3.124 205 HH21 ARG 24 HH21 ARG 24 10.872 7.663 -5.506 206 HH22 ARG 24 HH22 ARG 24 11.566 6.583 -4.322 207 H MET 25 H MET 25 8.409 11.012 -1.669 208 HA MET 25 HA MET 25 7.158 12.602 -3.772 209 HB2 MET 25 HB2 MET 25 6.279 10.214 -2.112 210 HB3 MET 25 HB3 MET 25 5.262 10.933 -3.339 211 HG2 MET 25 HG2 MET 25 8.032 9.876 -3.854 212 HG3 MET 25 HG3 MET 25 6.579 8.953 -4.123 213 HE1 MET 25 HE1 MET 25 5.203 8.952 -6.228 214 HE2 MET 25 HE2 MET 25 4.500 10.463 -5.608 215 HE3 MET 25 HE3 MET 25 5.019 10.354 -7.306 216 HA PRO 26 HA PRO 26 4.492 15.151 -1.208 217 HB2 PRO 26 HB2 PRO 26 2.242 15.432 -2.714 218 HB3 PRO 26 HB3 PRO 26 3.819 16.143 -3.193 219 HG2 PRO 26 HG2 PRO 26 2.593 13.535 -4.099 220 HG3 PRO 26 HG3 PRO 26 3.279 14.838 -5.127 221 HD2 PRO 26 HD2 PRO 26 4.713 12.641 -4.437 222 HD3 PRO 26 HD3 PRO 26 5.502 14.228 -4.555 223 H GLU 27 H GLU 27 2.378 15.190 -0.114 224 HA GLU 27 HA GLU 27 1.659 12.813 1.262 225 HB2 GLU 27 HB2 GLU 27 1.354 15.072 2.132 226 HB3 GLU 27 HB3 GLU 27 0.173 15.437 0.868 227 HG2 GLU 27 HG2 GLU 27 -1.405 13.822 1.799 228 HG3 GLU 27 HG3 GLU 27 -0.190 13.247 2.946 229 H GLY 28 H GLY 28 0.105 11.328 1.125 230 HA2 GLY 28 HA2 GLY 28 -1.778 10.197 0.316 231 HA3 GLY 28 HA3 GLY 28 -1.970 11.421 -0.946 232 H THR 29 H THR 29 1.232 10.466 -1.020 233 HA THR 29 HA THR 29 0.863 8.634 -3.287 234 HB THR 29 HB THR 29 3.506 9.347 -1.929 235 HG1 THR 29 HG1 THR 29 2.777 11.210 -2.749 236 HG21 THR 29 HG21 THR 29 3.541 7.293 -3.308 237 HG22 THR 29 HG22 THR 29 2.805 8.181 -4.661 238 HG23 THR 29 HG23 THR 29 4.420 8.609 -4.067 239 H PHE 30 H PHE 30 0.761 6.414 -3.096 240 HA PHE 30 HA PHE 30 1.683 5.204 -0.539 241 HB2 PHE 30 HB2 PHE 30 -0.338 3.960 -0.327 242 HB3 PHE 30 HB3 PHE 30 -0.742 5.657 -0.482 243 HD1 PHE 30 HD1 PHE 30 -1.836 6.498 -2.550 244 HD2 PHE 30 HD2 PHE 30 -0.884 2.340 -2.063 245 HE1 PHE 30 HE1 PHE 30 -3.239 5.952 -4.526 246 HE2 PHE 30 HE2 PHE 30 -2.356 1.771 -3.985 247 HZ PHE 30 HZ PHE 30 -3.476 3.581 -5.267 248 H LEU 31 H LEU 31 1.857 2.918 -0.532 249 HA LEU 31 HA LEU 31 2.134 1.519 -3.095 250 HB2 LEU 31 HB2 LEU 31 4.419 0.834 -2.761 251 HB3 LEU 31 HB3 LEU 31 4.314 2.575 -2.789 252 HG LEU 31 HG LEU 31 4.384 2.439 -0.185 253 HD11 LEU 31 HD11 LEU 31 4.157 -0.001 0.193 254 HD12 LEU 31 HD12 LEU 31 5.518 -0.314 -0.904 255 HD13 LEU 31 HD13 LEU 31 5.767 0.513 0.649 256 HD21 LEU 31 HD21 LEU 31 6.783 1.647 -1.877 257 HD22 LEU 31 HD22 LEU 31 6.168 3.291 -1.606 258 HD23 LEU 31 HD23 LEU 31 6.834 2.384 -0.260 259 H VAL 32 H VAL 32 2.372 -0.782 -2.834 260 HA VAL 32 HA VAL 32 1.788 -1.821 -0.108 261 HB VAL 32 HB VAL 32 0.626 -2.969 -2.646 262 HG11 VAL 32 HG11 VAL 32 1.155 -4.721 -0.946 263 HG12 VAL 32 HG12 VAL 32 0.185 -3.822 0.241 264 HG13 VAL 32 HG13 VAL 32 -0.557 -4.528 -1.214 265 HG21 VAL 32 HG21 VAL 32 -0.755 -1.554 -0.314 266 HG22 VAL 32 HG22 VAL 32 -0.538 -0.883 -1.943 267 HG23 VAL 32 HG23 VAL 32 -1.542 -2.307 -1.729 268 H ARG 33 H ARG 33 2.959 -3.477 0.550 269 HA ARG 33 HA ARG 33 4.898 -4.784 -1.302 270 HB2 ARG 33 HB2 ARG 33 6.714 -4.424 0.299 271 HB3 ARG 33 HB3 ARG 33 6.011 -2.883 -0.197 272 HG2 ARG 33 HG2 ARG 33 4.629 -2.966 1.975 273 HG3 ARG 33 HG3 ARG 33 5.627 -4.352 2.438 274 HD2 ARG 33 HD2 ARG 33 7.650 -2.769 2.060 275 HD3 ARG 33 HD3 ARG 33 6.475 -1.471 1.948 276 HE ARG 33 HE ARG 33 6.062 -1.610 4.240 277 HH11 ARG 33 HH11 ARG 33 8.230 -4.280 3.394 278 HH12 ARG 33 HH12 ARG 33 8.261 -4.830 5.067 279 HH21 ARG 33 HH21 ARG 33 6.334 -2.382 6.355 280 HH22 ARG 33 HH22 ARG 33 7.324 -3.802 6.606 281 H ASP 34 H ASP 34 5.789 -6.762 -0.506 282 HA ASP 34 HA ASP 34 3.948 -8.544 0.881 283 HB2 ASP 34 HB2 ASP 34 5.466 -9.349 -0.855 284 HB3 ASP 34 HB3 ASP 34 6.862 -8.805 0.068 285 H SER 35 H SER 35 3.909 -9.145 3.043 286 HA SER 35 HA SER 35 4.920 -7.132 4.793 287 HB2 SER 35 HB2 SER 35 2.754 -8.319 5.076 288 HB3 SER 35 HB3 SER 35 3.651 -9.764 5.590 289 HG SER 35 HG SER 35 3.719 -7.174 6.824 290 H THR 36 H THR 36 6.557 -6.939 6.089 291 HA THR 36 HA THR 36 8.694 -8.934 6.113 292 HB THR 36 HB THR 36 9.842 -6.979 7.442 293 HG1 THR 36 HG1 THR 36 8.136 -5.656 7.817 294 HG21 THR 36 HG21 THR 36 10.455 -7.604 5.177 295 HG22 THR 36 HG22 THR 36 9.038 -6.774 4.512 296 HG23 THR 36 HG23 THR 36 10.342 -5.842 5.297 297 H SER 37 H SER 37 6.014 -8.823 7.953 298 HA SER 37 HA SER 37 7.348 -10.484 9.987 299 HB2 SER 37 HB2 SER 37 7.206 -8.240 11.044 300 HB3 SER 37 HB3 SER 37 5.447 -8.252 10.804 301 HG SER 37 HG SER 37 6.099 -9.004 12.904 302 H SER 38 H SER 38 6.274 -12.306 10.175 303 HA SER 38 HA SER 38 4.855 -13.982 9.913 304 HB2 SER 38 HB2 SER 38 2.571 -12.002 9.918 305 HB3 SER 38 HB3 SER 38 2.428 -13.759 10.012 306 HG SER 38 HG SER 38 3.831 -12.094 11.858 307 HA PRO 39 HA PRO 39 4.672 -14.333 5.532 308 HB2 PRO 39 HB2 PRO 39 3.962 -16.932 5.196 309 HB3 PRO 39 HB3 PRO 39 5.509 -16.456 5.964 310 HG2 PRO 39 HG2 PRO 39 2.904 -17.201 7.345 311 HG3 PRO 39 HG3 PRO 39 4.543 -17.855 7.658 312 HD2 PRO 39 HD2 PRO 39 3.493 -15.827 9.148 313 HD3 PRO 39 HD3 PRO 39 5.233 -15.880 8.733 314 H GLY 40 H GLY 40 3.318 -14.614 3.690 315 HA2 GLY 40 HA2 GLY 40 1.408 -14.740 2.426 316 HA3 GLY 40 HA3 GLY 40 0.538 -15.342 3.836 317 H ASP 41 H ASP 41 1.797 -12.424 4.785 318 HA ASP 41 HA ASP 41 -0.739 -10.947 4.237 319 HB2 ASP 41 HB2 ASP 41 1.489 -10.452 6.231 320 HB3 ASP 41 HB3 ASP 41 0.016 -9.496 6.090 321 H TYR 42 H TYR 42 -0.554 -8.588 3.939 322 HA TYR 42 HA TYR 42 1.918 -7.684 2.510 323 HB2 TYR 42 HB2 TYR 42 -0.909 -6.859 1.794 324 HB3 TYR 42 HB3 TYR 42 0.574 -6.434 0.963 325 HD1 TYR 42 HD2 TYR 42 1.911 -8.271 -0.149 326 HD2 TYR 42 HD1 TYR 42 -2.087 -8.862 1.325 327 HE1 TYR 42 HE2 TYR 42 1.693 -10.350 -1.549 328 HE2 TYR 42 HE1 TYR 42 -2.321 -10.913 -0.079 329 HH TYR 42 HH TYR 42 -1.302 -12.315 -1.579 330 H VAL 43 H VAL 43 1.956 -5.210 2.398 331 HA VAL 43 HA VAL 43 0.787 -3.901 4.811 332 HB VAL 43 HB VAL 43 3.707 -3.670 3.994 333 HG11 VAL 43 HG11 VAL 43 2.867 -1.553 4.954 334 HG12 VAL 43 HG12 VAL 43 2.199 -2.443 6.342 335 HG13 VAL 43 HG13 VAL 43 3.949 -2.365 6.086 336 HG21 VAL 43 HG21 VAL 43 2.457 -4.969 6.440 337 HG22 VAL 43 HG22 VAL 43 3.249 -5.809 5.088 338 HG23 VAL 43 HG23 VAL 43 4.203 -4.755 6.144 339 H LEU 44 H LEU 44 -0.084 -1.997 4.374 340 HA LEU 44 HA LEU 44 0.332 -0.642 1.750 341 HB2 LEU 44 HB2 LEU 44 -2.008 -1.013 2.467 342 HB3 LEU 44 HB3 LEU 44 -1.676 -0.266 4.009 343 HG LEU 44 HG LEU 44 -1.321 1.913 2.901 344 HD11 LEU 44 HD11 LEU 44 -0.576 1.303 0.687 345 HD12 LEU 44 HD12 LEU 44 -2.129 0.507 0.340 346 HD13 LEU 44 HD13 LEU 44 -2.042 2.269 0.576 347 HD21 LEU 44 HD21 LEU 44 -3.939 0.554 2.121 348 HD22 LEU 44 HD22 LEU 44 -3.568 1.228 3.723 349 HD23 LEU 44 HD23 LEU 44 -3.684 2.300 2.318 350 H SER 45 H SER 45 1.684 1.092 1.694 351 HA SER 45 HA SER 45 2.269 2.524 4.249 352 HB2 SER 45 HB2 SER 45 4.233 2.214 1.969 353 HB3 SER 45 HB3 SER 45 4.509 2.999 3.529 354 HG SER 45 HG SER 45 3.938 0.240 3.073 355 H CYS 46 H CYS 46 2.092 4.761 4.200 356 HA CYS 46 HA CYS 46 1.442 6.067 1.602 357 HB2 CYS 46 HB2 CYS 46 -0.652 5.156 2.703 358 HB3 CYS 46 HB3 CYS 46 -0.346 6.273 4.050 359 HG CYS 46 HG CYS 46 -2.214 7.270 2.500 360 H SER 47 H SER 47 1.911 8.299 1.472 361 HA SER 47 HA SER 47 3.521 9.453 3.628 362 HB2 SER 47 HB2 SER 47 3.682 11.343 2.044 363 HB3 SER 47 HB3 SER 47 4.305 9.818 1.417 364 HG SER 47 HG SER 47 2.960 11.073 -0.044 365 H GLU 48 H GLU 48 2.519 10.189 5.298 366 HA GLU 48 HA GLU 48 -0.082 11.704 5.046 367 HB2 GLU 48 HB2 GLU 48 0.581 9.318 6.792 368 HB3 GLU 48 HB3 GLU 48 -0.630 10.463 7.243 369 HG2 GLU 48 HG2 GLU 48 -1.768 10.076 4.998 370 HG3 GLU 48 HG3 GLU 48 -0.641 8.734 4.754 371 H ASN 49 H ASN 49 0.344 13.749 5.675 372 HA ASN 49 HA ASN 49 0.877 15.501 6.885 373 HB2 ASN 49 HB2 ASN 49 -0.928 14.443 8.220 374 HB3 ASN 49 HB3 ASN 49 0.294 13.723 9.269 375 HD21 ASN 49 HD22 ASN 49 -1.044 15.004 10.903 376 HD22 ASN 49 HD21 ASN 49 -0.573 16.679 11.146 377 H GLY 50 H GLY 50 3.068 14.882 5.903 378 HA2 GLY 50 HA2 GLY 50 5.264 15.544 6.082 379 HA3 GLY 50 HA3 GLY 50 4.961 15.917 7.778 380 H LYS 51 H LYS 51 4.230 12.691 7.100 381 HA LYS 51 HA LYS 51 6.915 11.534 7.578 382 HB2 LYS 51 HB2 LYS 51 6.127 10.220 9.508 383 HB3 LYS 51 HB3 LYS 51 5.986 11.947 9.846 384 HG2 LYS 51 HG2 LYS 51 3.611 11.897 9.304 385 HG3 LYS 51 HG3 LYS 51 3.694 10.168 8.895 386 HD2 LYS 51 HD2 LYS 51 4.358 9.748 11.304 387 HD3 LYS 51 HD3 LYS 51 4.011 11.456 11.631 388 HE2 LYS 51 HE2 LYS 51 2.086 9.321 10.600 389 HE3 LYS 51 HE3 LYS 51 2.054 10.084 12.190 390 HZ1 LYS 51 HZ1 LYS 51 1.535 12.197 11.075 391 HZ2 LYS 51 HZ2 LYS 51 1.557 11.471 9.598 392 HZ3 LYS 51 HZ3 LYS 51 0.408 11.066 10.699 393 H VAL 52 H VAL 52 6.578 9.023 7.697 394 HA VAL 52 HA VAL 52 4.617 8.178 5.596 395 HB VAL 52 HB VAL 52 7.335 6.958 6.140 396 HG11 VAL 52 HG11 VAL 52 5.765 5.258 5.366 397 HG12 VAL 52 HG12 VAL 52 5.156 6.340 4.101 398 HG13 VAL 52 HG13 VAL 52 6.804 5.692 4.011 399 HG21 VAL 52 HG21 VAL 52 6.310 8.813 3.959 400 HG22 VAL 52 HG22 VAL 52 7.694 9.060 5.040 401 HG23 VAL 52 HG23 VAL 52 7.783 7.835 3.781 402 H THR 53 H THR 53 3.205 6.671 6.086 403 HA THR 53 HA THR 53 3.293 5.340 8.759 404 HB THR 53 HB THR 53 0.822 5.182 8.462 405 HG1 THR 53 HG1 THR 53 -0.047 6.645 6.849 406 HG21 THR 53 HG21 THR 53 1.810 7.014 9.789 407 HG22 THR 53 HG22 THR 53 1.933 8.022 8.328 408 HG23 THR 53 HG23 THR 53 0.339 7.538 8.949 409 H HIS 54 H HIS 54 2.345 3.199 8.904 410 HA HIS 54 HA HIS 54 2.369 1.544 6.435 411 HB2 HIS 54 HB2 HIS 54 3.910 0.799 8.943 412 HB3 HIS 54 HB3 HIS 54 3.827 -0.099 7.435 413 HD1 HIS 54 HD1 HIS 54 5.111 1.265 5.260 414 HD2 HIS 54 HD2 HIS 54 5.854 2.516 9.214 415 HE1 HIS 54 HE1 HIS 54 7.301 2.567 5.206 416 H TYR 55 H TYR 55 0.849 -0.016 6.450 417 HA TYR 55 HA TYR 55 -0.601 -0.720 8.974 418 HB2 TYR 55 HB2 TYR 55 -1.869 -0.047 6.295 419 HB3 TYR 55 HB3 TYR 55 -2.698 -0.419 7.801 420 HD1 TYR 55 HD2 TYR 55 -2.457 1.198 9.779 421 HD2 TYR 55 HD1 TYR 55 -1.188 2.170 5.769 422 HE1 TYR 55 HE2 TYR 55 -2.446 3.625 10.362 423 HE2 TYR 55 HE1 TYR 55 -1.205 4.583 6.341 424 HH TYR 55 HH TYR 55 -1.731 6.176 7.968 425 H LYS 56 H LYS 56 -0.900 -2.863 9.228 426 HA LYS 56 HA LYS 56 -0.075 -4.815 7.256 427 HB2 LYS 56 HB2 LYS 56 -1.520 -4.948 9.923 428 HB3 LYS 56 HB3 LYS 56 -1.329 -6.386 8.942 429 HG2 LYS 56 HG2 LYS 56 1.060 -4.667 9.717 430 HG3 LYS 56 HG3 LYS 56 0.425 -5.906 10.788 431 HD2 LYS 56 HD2 LYS 56 1.444 -6.452 7.969 432 HD3 LYS 56 HD3 LYS 56 2.364 -6.679 9.464 433 HE2 LYS 56 HE2 LYS 56 0.540 -8.271 10.249 434 HE3 LYS 56 HE3 LYS 56 -0.182 -8.142 8.643 435 HZ1 LYS 56 HZ1 LYS 56 2.084 -8.903 7.800 436 HZ2 LYS 56 HZ2 LYS 56 2.484 -9.287 9.303 437 HZ3 LYS 56 HZ3 LYS 56 1.203 -10.044 8.611 438 H LEU 57 H LEU 57 -1.095 -5.764 5.723 439 HA LEU 57 HA LEU 57 -4.083 -5.725 5.461 440 HB2 LEU 57 HB2 LEU 57 -1.813 -5.962 3.480 441 HB3 LEU 57 HB3 LEU 57 -3.467 -6.350 3.033 442 HG LEU 57 HG LEU 57 -2.807 -3.640 4.184 443 HD11 LEU 57 HD11 LEU 57 -1.185 -3.890 2.402 444 HD12 LEU 57 HD12 LEU 57 -2.374 -4.665 1.352 445 HD13 LEU 57 HD13 LEU 57 -2.524 -2.947 1.707 446 HD21 LEU 57 HD21 LEU 57 -4.784 -4.477 2.025 447 HD22 LEU 57 HD22 LEU 57 -5.205 -4.347 3.746 448 HD23 LEU 57 HD23 LEU 57 -4.695 -2.907 2.845 449 H SER 58 H SER 58 -4.204 -7.394 6.962 450 HA SER 58 HA SER 58 -2.550 -9.804 6.764 451 HB2 SER 58 HB2 SER 58 -4.765 -9.036 8.683 452 HB3 SER 58 HB3 SER 58 -3.797 -10.517 8.796 453 HG SER 58 HG SER 58 -2.944 -8.805 10.084 454 H ALA 59 H ALA 59 -3.127 -11.837 6.105 455 HA ALA 59 HA ALA 59 -5.545 -12.002 4.446 456 HB1 ALA 59 HB1 ALA 59 -3.404 -12.738 3.558 457 HB2 ALA 59 HB2 ALA 59 -3.251 -13.945 4.854 458 HB3 ALA 59 HB3 ALA 59 -4.546 -14.092 3.645 459 H GLU 60 H GLU 60 -7.412 -12.925 4.976 460 HA GLU 60 HA GLU 60 -7.494 -15.227 6.885 461 HB2 GLU 60 HB2 GLU 60 -9.417 -12.860 6.900 462 HB3 GLU 60 HB3 GLU 60 -9.671 -14.398 7.735 463 HG2 GLU 60 HG2 GLU 60 -7.488 -13.976 8.974 464 HG3 GLU 60 HG3 GLU 60 -7.510 -12.337 8.307 465 H GLU 61 H GLU 61 -8.091 -16.909 5.645 466 HA GLU 61 HA GLU 61 -8.964 -18.149 3.952 467 HB2 GLU 61 HB2 GLU 61 -11.465 -16.541 4.541 468 HB3 GLU 61 HB3 GLU 61 -11.383 -18.085 3.685 469 HG2 GLU 61 HG2 GLU 61 -10.382 -19.140 5.721 470 HG3 GLU 61 HG3 GLU 61 -10.618 -17.621 6.594 471 H GLY 62 H GLY 62 -7.573 -15.839 3.063 472 HA2 GLY 62 HA2 GLY 62 -6.896 -15.133 0.928 473 HA3 GLY 62 HA3 GLY 62 -8.406 -15.722 0.235 474 H LYS 63 H LYS 63 -9.507 -13.941 2.753 475 HA LYS 63 HA LYS 63 -9.835 -11.427 1.201 476 HB2 LYS 63 HB2 LYS 63 -11.161 -12.423 3.755 477 HB3 LYS 63 HB3 LYS 63 -11.465 -10.859 3.011 478 HG2 LYS 63 HG2 LYS 63 -12.150 -12.059 0.884 479 HG3 LYS 63 HG3 LYS 63 -12.012 -13.586 1.771 480 HD2 LYS 63 HD2 LYS 63 -13.667 -12.729 3.436 481 HD3 LYS 63 HD3 LYS 63 -13.889 -11.273 2.462 482 HE2 LYS 63 HE2 LYS 63 -14.291 -14.087 1.343 483 HE3 LYS 63 HE3 LYS 63 -15.574 -13.231 2.198 484 HZ1 LYS 63 HZ1 LYS 63 -15.465 -11.471 0.535 485 HZ2 LYS 63 HZ2 LYS 63 -14.292 -12.237 -0.314 486 HZ3 LYS 63 HZ3 LYS 63 -15.766 -12.899 -0.177 487 H ILE 64 H ILE 64 -9.661 -9.381 2.412 488 HA ILE 64 HA ILE 64 -6.985 -9.299 3.755 489 HB ILE 64 HB ILE 64 -8.343 -7.507 1.725 490 HG12 ILE 64 HG12 ILE 64 -7.185 -9.486 0.800 491 HG13 ILE 64 HG13 ILE 64 -6.458 -7.971 0.305 492 HG21 ILE 64 HG21 ILE 64 -7.324 -5.939 3.219 493 HG22 ILE 64 HG22 ILE 64 -5.834 -6.900 3.327 494 HG23 ILE 64 HG23 ILE 64 -6.294 -6.093 1.803 495 HD11 ILE 64 HD11 ILE 64 -4.606 -8.287 1.920 496 HD12 ILE 64 HD12 ILE 64 -5.326 -9.832 2.441 497 HD13 ILE 64 HD13 ILE 64 -4.741 -9.635 0.783 498 H ARG 65 H ARG 65 -7.100 -8.884 5.802 499 HA ARG 65 HA ARG 65 -9.127 -7.041 6.972 500 HB2 ARG 65 HB2 ARG 65 -8.732 -9.337 7.950 501 HB3 ARG 65 HB3 ARG 65 -7.067 -8.880 8.258 502 HG2 ARG 65 HG2 ARG 65 -8.093 -8.591 10.329 503 HG3 ARG 65 HG3 ARG 65 -7.991 -6.952 9.704 504 HD2 ARG 65 HD2 ARG 65 -10.151 -7.161 10.656 505 HD3 ARG 65 HD3 ARG 65 -10.418 -7.241 8.905 506 HE ARG 65 HE ARG 65 -10.091 -9.901 9.685 507 HH11 ARG 65 HH11 ARG 65 -12.431 -7.453 10.652 508 HH12 ARG 65 HH12 ARG 65 -13.613 -8.673 11.046 509 HH21 ARG 65 HH21 ARG 65 -11.489 -11.272 10.171 510 HH22 ARG 65 HH22 ARG 65 -13.097 -10.863 10.785 511 H ILE 66 H ILE 66 -8.588 -4.985 7.483 512 HA ILE 66 HA ILE 66 -5.812 -4.322 8.216 513 HB ILE 66 HB ILE 66 -5.656 -3.906 5.916 514 HG12 ILE 66 HG12 ILE 66 -6.139 -1.182 7.150 515 HG13 ILE 66 HG13 ILE 66 -4.757 -2.181 7.575 516 HG21 ILE 66 HG21 ILE 66 -8.072 -3.763 5.323 517 HG22 ILE 66 HG22 ILE 66 -8.124 -2.132 6.029 518 HG23 ILE 66 HG23 ILE 66 -7.126 -2.477 4.597 519 HD11 ILE 66 HD11 ILE 66 -3.875 -2.069 5.334 520 HD12 ILE 66 HD12 ILE 66 -5.316 -1.220 4.733 521 HD13 ILE 66 HD13 ILE 66 -4.245 -0.426 5.885 522 H ASP 67 H ASP 67 -5.668 -2.982 9.841 523 HA ASP 67 HA ASP 67 -6.283 -2.049 11.784 524 HB2 ASP 67 HB2 ASP 67 -6.378 -0.055 10.408 525 HB3 ASP 67 HB3 ASP 67 -8.077 -0.341 10.043 526 H THR 68 H THR 68 -9.578 -1.514 10.747 527 HA THR 68 HA THR 68 -10.607 -3.797 12.370 528 HB THR 68 HB THR 68 -12.473 -2.280 13.118 529 HG1 THR 68 HG1 THR 68 -10.664 -0.212 12.415 530 HG21 THR 68 HG21 THR 68 -10.641 -2.876 14.645 531 HG22 THR 68 HG22 THR 68 -9.697 -1.481 14.082 532 HG23 THR 68 HG23 THR 68 -11.237 -1.232 14.935 533 H HIS 69 H HIS 69 -10.329 -2.891 9.338 534 HA HIS 69 HA HIS 69 -13.130 -3.384 8.471 535 HB2 HIS 69 HB2 HIS 69 -10.781 -2.196 6.952 536 HB3 HIS 69 HB3 HIS 69 -12.428 -2.388 6.354 537 HD1 HIS 69 HD1 HIS 69 -14.198 -0.518 7.128 538 HD2 HIS 69 HD2 HIS 69 -10.318 -0.193 8.722 539 HE1 HIS 69 HE1 HIS 69 -14.063 1.786 8.212 540 H LEU 70 H LEU 70 -13.509 -4.904 6.900 541 HA LEU 70 HA LEU 70 -11.313 -6.742 6.075 542 HB2 LEU 70 HB2 LEU 70 -12.725 -7.807 7.825 543 HB3 LEU 70 HB3 LEU 70 -14.150 -7.526 6.829 544 HG LEU 70 HG LEU 70 -13.152 -9.029 5.054 545 HD11 LEU 70 HD11 LEU 70 -10.768 -8.883 5.656 546 HD12 LEU 70 HD12 LEU 70 -11.095 -9.623 7.232 547 HD13 LEU 70 HD13 LEU 70 -11.316 -10.556 5.736 548 HD21 LEU 70 HD21 LEU 70 -13.468 -10.263 7.820 549 HD22 LEU 70 HD22 LEU 70 -14.788 -9.868 6.696 550 HD23 LEU 70 HD23 LEU 70 -13.605 -11.114 6.265 551 H PHE 71 H PHE 71 -11.090 -6.900 3.973 552 HA PHE 71 HA PHE 71 -13.292 -6.115 2.103 553 HB2 PHE 71 HB2 PHE 71 -10.298 -5.665 1.804 554 HB3 PHE 71 HB3 PHE 71 -11.542 -5.244 0.638 555 HD1 PHE 71 HD1 PHE 71 -13.370 -3.535 1.383 556 HD2 PHE 71 HD2 PHE 71 -9.667 -4.139 3.508 557 HE1 PHE 71 HE1 PHE 71 -13.676 -1.360 2.543 558 HE2 PHE 71 HE2 PHE 71 -9.954 -1.935 4.624 559 HZ PHE 71 HZ PHE 71 -11.971 -0.568 4.174 560 H ASP 72 H ASP 72 -13.281 -7.170 0.029 561 HA ASP 72 HA ASP 72 -12.739 -9.957 0.210 562 HB2 ASP 72 HB2 ASP 72 -14.545 -9.038 -1.145 563 HB3 ASP 72 HB3 ASP 72 -13.390 -8.178 -2.168 564 H ASN 73 H ASN 73 -10.827 -7.336 -1.153 565 HA ASN 73 HA ASN 73 -8.494 -9.042 -1.628 566 HB2 ASN 73 HB2 ASN 73 -8.405 -8.490 -4.062 567 HB3 ASN 73 HB3 ASN 73 -9.802 -9.470 -3.652 568 HD21 ASN 73 HD22 ASN 73 -11.867 -8.687 -4.189 569 HD22 ASN 73 HD21 ASN 73 -12.094 -7.071 -4.853 570 H LEU 74 H LEU 74 -6.702 -7.666 -2.677 571 HA LEU 74 HA LEU 74 -6.086 -5.539 -0.934 572 HB2 LEU 74 HB2 LEU 74 -4.737 -7.086 -2.868 573 HB3 LEU 74 HB3 LEU 74 -4.690 -5.460 -3.522 574 HG LEU 74 HG LEU 74 -2.690 -5.854 -2.375 575 HD11 LEU 74 HD11 LEU 74 -3.624 -3.584 -2.198 576 HD12 LEU 74 HD12 LEU 74 -4.391 -4.009 -0.647 577 HD13 LEU 74 HD13 LEU 74 -2.630 -4.022 -0.801 578 HD21 LEU 74 HD21 LEU 74 -4.215 -6.355 0.201 579 HD22 LEU 74 HD22 LEU 74 -3.509 -7.627 -0.829 580 HD23 LEU 74 HD23 LEU 74 -2.457 -6.419 -0.088 581 H ASP 75 H ASP 75 -7.179 -5.368 -4.350 582 HA ASP 75 HA ASP 75 -6.920 -2.546 -4.632 583 HB2 ASP 75 HB2 ASP 75 -7.004 -4.190 -6.480 584 HB3 ASP 75 HB3 ASP 75 -8.699 -4.510 -6.124 585 H ALA 76 H ALA 76 -9.662 -4.507 -3.458 586 HA ALA 76 HA ALA 76 -11.559 -2.364 -3.267 587 HB1 ALA 76 HB1 ALA 76 -12.200 -4.724 -3.185 588 HB2 ALA 76 HB2 ALA 76 -11.287 -4.947 -1.679 589 HB3 ALA 76 HB3 ALA 76 -12.719 -3.897 -1.702 590 H ALA 77 H ALA 77 -8.963 -3.419 -1.028 591 HA ALA 77 HA ALA 77 -9.721 -1.605 1.099 592 HB1 ALA 77 HB1 ALA 77 -8.329 -3.667 1.390 593 HB2 ALA 77 HB2 ALA 77 -7.004 -2.858 0.531 594 HB3 ALA 77 HB3 ALA 77 -7.590 -2.200 2.067 595 H ILE 78 H ILE 78 -7.388 -1.363 -1.643 596 HA ILE 78 HA ILE 78 -6.461 1.292 -1.120 597 HB ILE 78 HB ILE 78 -6.959 0.047 -3.857 598 HG12 ILE 78 HG12 ILE 78 -5.552 -1.529 -2.838 599 HG13 ILE 78 HG13 ILE 78 -4.524 -0.551 -3.841 600 HG21 ILE 78 HG21 ILE 78 -6.513 2.471 -3.957 601 HG22 ILE 78 HG22 ILE 78 -5.012 2.226 -3.039 602 HG23 ILE 78 HG23 ILE 78 -5.194 1.533 -4.657 603 HD11 ILE 78 HD11 ILE 78 -3.695 0.658 -1.830 604 HD12 ILE 78 HD12 ILE 78 -4.755 -0.347 -0.806 605 HD13 ILE 78 HD13 ILE 78 -3.455 -1.099 -1.730 606 H THR 79 H THR 79 -9.173 0.202 -3.105 607 HA THR 79 HA THR 79 -10.225 2.704 -3.890 608 HB THR 79 HB THR 79 -11.762 0.114 -3.441 609 HG1 THR 79 HG1 THR 79 -10.162 -0.219 -4.900 610 HG21 THR 79 HG21 THR 79 -13.346 1.960 -3.742 611 HG22 THR 79 HG22 THR 79 -12.419 2.567 -5.133 612 HG23 THR 79 HG23 THR 79 -13.265 1.006 -5.226 613 H PHE 80 H PHE 80 -11.063 0.800 -0.929 614 HA PHE 80 HA PHE 80 -13.010 2.646 0.048 615 HB2 PHE 80 HB2 PHE 80 -12.694 0.374 0.921 616 HB3 PHE 80 HB3 PHE 80 -11.113 0.811 1.558 617 HD1 PHE 80 HD1 PHE 80 -14.783 1.339 1.911 618 HD2 PHE 80 HD2 PHE 80 -10.895 2.117 3.609 619 HE1 PHE 80 HE1 PHE 80 -15.855 2.173 3.993 620 HE2 PHE 80 HE2 PHE 80 -11.969 2.950 5.688 621 HZ PHE 80 HZ PHE 80 -14.451 2.989 5.878 622 H TYR 81 H TYR 81 -9.439 2.538 0.642 623 HA TYR 81 HA TYR 81 -9.583 5.001 2.168 624 HB2 TYR 81 HB2 TYR 81 -7.218 3.377 1.249 625 HB3 TYR 81 HB3 TYR 81 -7.123 4.798 2.293 626 HD1 TYR 81 HD2 TYR 81 -9.027 4.687 4.309 627 HD2 TYR 81 HD1 TYR 81 -6.959 1.375 2.469 628 HE1 TYR 81 HE2 TYR 81 -9.333 3.346 6.379 629 HE2 TYR 81 HE1 TYR 81 -7.294 0.028 4.539 630 HH TYR 81 HH TYR 81 -8.942 1.362 7.423 631 H MET 82 H MET 82 -9.580 4.555 -1.188 632 HA MET 82 HA MET 82 -8.455 7.199 -1.856 633 HB2 MET 82 HB2 MET 82 -10.219 5.228 -3.361 634 HB3 MET 82 HB3 MET 82 -9.773 6.790 -4.013 635 HG2 MET 82 HG2 MET 82 -7.655 4.814 -3.135 636 HG3 MET 82 HG3 MET 82 -8.429 4.732 -4.715 637 HE1 MET 82 HE1 MET 82 -5.498 4.757 -4.804 638 HE2 MET 82 HE2 MET 82 -6.492 4.988 -6.259 639 HE3 MET 82 HE3 MET 82 -5.109 6.060 -5.956 640 H GLU 83 H GLU 83 -11.659 5.805 -1.132 641 HA GLU 83 HA GLU 83 -13.084 8.336 -1.580 642 HB2 GLU 83 HB2 GLU 83 -13.942 5.593 -0.578 643 HB3 GLU 83 HB3 GLU 83 -15.047 6.947 -0.802 644 HG2 GLU 83 HG2 GLU 83 -13.370 5.708 -3.031 645 HG3 GLU 83 HG3 GLU 83 -15.044 5.307 -2.684 646 H HIS 84 H HIS 84 -11.826 6.587 1.217 647 HA HIS 84 HA HIS 84 -12.886 8.701 3.053 648 HB2 HIS 84 HB2 HIS 84 -12.535 5.738 3.637 649 HB3 HIS 84 HB3 HIS 84 -13.169 6.958 4.737 650 HD1 HIS 84 HD1 HIS 84 -15.643 8.077 3.866 651 HD2 HIS 84 HD2 HIS 84 -14.263 4.519 2.096 652 HE1 HIS 84 HE1 HIS 84 -17.653 7.040 2.687 653 H GLU 85 H GLU 85 -11.554 9.338 4.792 654 HA GLU 85 HA GLU 85 -8.735 9.307 4.293 655 HB2 GLU 85 HB2 GLU 85 -10.293 10.069 6.790 656 HB3 GLU 85 HB3 GLU 85 -8.561 10.344 6.563 657 HG2 GLU 85 HG2 GLU 85 -8.976 11.799 4.647 658 HG3 GLU 85 HG3 GLU 85 -10.712 11.485 4.725 659 H LEU 86 H LEU 86 -7.060 8.123 5.079 660 HA LEU 86 HA LEU 86 -7.643 5.464 6.045 661 HB2 LEU 86 HB2 LEU 86 -5.889 6.310 4.342 662 HB3 LEU 86 HB3 LEU 86 -4.912 6.762 5.728 663 HG LEU 86 HG LEU 86 -5.875 3.996 4.944 664 HD11 LEU 86 HD11 LEU 86 -4.036 4.893 3.600 665 HD12 LEU 86 HD12 LEU 86 -3.112 5.257 5.071 666 HD13 LEU 86 HD13 LEU 86 -3.453 3.571 4.624 667 HD21 LEU 86 HD21 LEU 86 -4.319 4.806 7.408 668 HD22 LEU 86 HD22 LEU 86 -5.850 3.899 7.325 669 HD23 LEU 86 HD23 LEU 86 -4.363 3.145 6.770 670 H GLU 87 H GLU 87 -5.463 7.949 7.343 671 HA GLU 87 HA GLU 87 -6.590 7.596 10.083 672 HB2 GLU 87 HB2 GLU 87 -4.608 6.053 9.857 673 HB3 GLU 87 HB3 GLU 87 -3.615 7.460 9.472 674 HG2 GLU 87 HG2 GLU 87 -3.236 6.926 11.756 675 HG3 GLU 87 HG3 GLU 87 -4.163 8.415 11.736 676 H TYR 88 H TYR 88 -4.207 9.349 8.071 677 HA TYR 88 HA TYR 88 -4.895 11.931 9.429 678 HB2 TYR 88 HB2 TYR 88 -2.463 11.086 7.872 679 HB3 TYR 88 HB3 TYR 88 -2.639 12.623 8.654 680 HD1 TYR 88 HD1 TYR 88 -2.732 12.748 11.197 681 HD2 TYR 88 HD2 TYR 88 -1.710 9.122 9.093 682 HE1 TYR 88 HE1 TYR 88 -1.748 11.811 13.284 683 HE2 TYR 88 HE2 TYR 88 -0.736 8.185 11.183 684 HH TYR 88 HH TYR 88 -0.709 10.015 14.266 685 H SER 89 H SER 89 -4.544 10.268 6.277 686 HA SER 89 HA SER 89 -6.345 12.236 5.067 687 HB2 SER 89 HB2 SER 89 -3.899 13.105 4.830 688 HB3 SER 89 HB3 SER 89 -3.674 11.763 3.698 689 HG SER 89 HG SER 89 -5.455 13.984 3.547 690 H SER 90 H SER 90 -6.718 11.673 2.672 691 HA SER 90 HA SER 90 -7.252 8.774 2.372 692 HB2 SER 90 HB2 SER 90 -7.883 11.059 0.476 693 HB3 SER 90 HB3 SER 90 -8.518 9.405 0.410 694 HG SER 90 HG SER 90 -9.974 10.915 1.393 695 H LEU 91 H LEU 91 -6.647 7.602 0.472 696 HA LEU 91 HA LEU 91 -3.946 7.949 -0.535 697 HB2 LEU 91 HB2 LEU 91 -6.243 6.302 -1.670 698 HB3 LEU 91 HB3 LEU 91 -4.546 6.142 -2.082 699 HG LEU 91 HG LEU 91 -5.899 5.405 0.524 700 HD11 LEU 91 HD11 LEU 91 -6.098 3.815 -1.407 701 HD12 LEU 91 HD12 LEU 91 -4.328 3.740 -1.476 702 HD13 LEU 91 HD13 LEU 91 -5.194 3.134 -0.053 703 HD21 LEU 91 HD21 LEU 91 -2.944 5.386 -0.110 704 HD22 LEU 91 HD22 LEU 91 -3.756 6.298 1.178 705 HD23 LEU 91 HD23 LEU 91 -3.679 4.533 1.257 706 H LYS 92 H LYS 92 -3.253 8.722 -2.532 707 HA LYS 92 HA LYS 92 -5.259 10.134 -4.272 708 HB2 LYS 92 HB2 LYS 92 -2.559 11.274 -3.416 709 HB3 LYS 92 HB3 LYS 92 -3.755 12.028 -4.478 710 HG2 LYS 92 HG2 LYS 92 -5.438 11.996 -2.630 711 HG3 LYS 92 HG3 LYS 92 -4.208 11.312 -1.563 712 HD2 LYS 92 HD2 LYS 92 -2.810 13.387 -1.945 713 HD3 LYS 92 HD3 LYS 92 -4.172 14.059 -2.846 714 HE2 LYS 92 HE2 LYS 92 -4.267 14.887 -0.566 715 HE3 LYS 92 HE3 LYS 92 -5.633 13.805 -0.845 716 HZ1 LYS 92 HZ1 LYS 92 -4.410 12.049 0.344 717 HZ2 LYS 92 HZ2 LYS 92 -3.127 13.057 0.570 718 HZ3 LYS 92 HZ3 LYS 92 -4.552 13.357 1.298 719 H GLN 93 H GLN 93 -1.960 8.720 -4.189 720 HA GLN 93 HA GLN 93 -2.349 7.849 -6.967 721 HB2 GLN 93 HB2 GLN 93 -0.340 8.946 -7.830 722 HB3 GLN 93 HB3 GLN 93 -1.515 10.129 -7.258 723 HG2 GLN 93 HG2 GLN 93 -0.195 10.317 -5.105 724 HG3 GLN 93 HG3 GLN 93 1.007 9.228 -5.798 725 HE21 GLN 93 HE22 GLN 93 2.113 11.378 -5.025 726 HE22 GLN 93 HE21 GLN 93 2.382 12.541 -6.335 727 HA PRO 94 HA PRO 94 0.398 4.607 -5.512 728 HB2 PRO 94 HB2 PRO 94 0.998 3.330 -7.827 729 HB3 PRO 94 HB3 PRO 94 -0.667 3.330 -7.158 730 HG2 PRO 94 HG2 PRO 94 0.434 5.131 -9.326 731 HG3 PRO 94 HG3 PRO 94 -1.076 4.158 -9.337 732 HD2 PRO 94 HD2 PRO 94 -1.045 6.805 -8.647 733 HD3 PRO 94 HD3 PRO 94 -2.164 5.639 -7.878 734 H LEU 95 H LEU 95 2.622 4.284 -5.250 735 HA LEU 95 HA LEU 95 4.544 6.144 -6.416 736 HB2 LEU 95 HB2 LEU 95 4.801 5.157 -4.121 737 HB3 LEU 95 HB3 LEU 95 4.941 3.563 -4.850 738 HG LEU 95 HG LEU 95 7.030 4.293 -6.033 739 HD11 LEU 95 HD11 LEU 95 6.647 6.752 -6.094 740 HD12 LEU 95 HD12 LEU 95 6.735 6.793 -4.317 741 HD13 LEU 95 HD13 LEU 95 8.162 6.360 -5.281 742 HD21 LEU 95 HD21 LEU 95 7.170 4.752 -3.042 743 HD22 LEU 95 HD22 LEU 95 7.115 3.158 -3.830 744 HD23 LEU 95 HD23 LEU 95 8.484 4.234 -4.122 745 H GLN 96 H GLN 96 6.130 5.674 -7.989 746 HA GLN 96 HA GLN 96 5.178 3.955 -10.104 747 HB2 GLN 96 HB2 GLN 96 7.558 5.811 -9.802 748 HB3 GLN 96 HB3 GLN 96 7.307 4.831 -11.245 749 HG2 GLN 96 HG2 GLN 96 6.450 7.156 -11.492 750 HG3 GLN 96 HG3 GLN 96 5.235 5.916 -11.774 751 HE21 GLN 96 HE22 GLN 96 3.268 6.233 -10.734 752 HE22 GLN 96 HE21 GLN 96 3.098 7.080 -9.205 753 H ARG 97 H ARG 97 5.820 2.024 -10.783 754 HA ARG 97 HA ARG 97 8.176 0.644 -9.610 755 HB2 ARG 97 HB2 ARG 97 6.887 -1.283 -8.986 756 HB3 ARG 97 HB3 ARG 97 6.203 0.140 -8.228 757 HG2 ARG 97 HG2 ARG 97 4.264 -0.853 -8.875 758 HG3 ARG 97 HG3 ARG 97 4.553 0.108 -10.323 759 HD2 ARG 97 HD2 ARG 97 5.746 -2.025 -11.254 760 HD3 ARG 97 HD3 ARG 97 5.064 -2.857 -9.868 761 HE ARG 97 HE ARG 97 2.909 -2.674 -10.773 762 HH11 ARG 97 HH11 ARG 97 5.051 -0.678 -12.755 763 HH12 ARG 97 HH12 ARG 97 3.922 -0.688 -14.088 764 HH21 ARG 97 HH21 ARG 97 1.650 -2.787 -12.621 765 HH22 ARG 97 HH22 ARG 97 2.043 -1.779 -13.984
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