NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
654287 | 6w9n | 30736 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 HN SER 1 1.807 0.001 0.856 2 HA SER 1 HA SER 1 3.142 0.034 -0.986 3 HB2 SER 1 HB1 SER 1 2.219 -2.122 -1.509 4 HB3 SER 1 HB2 SER 1 0.747 -1.397 -2.154 5 HG SER 1 HG SER 1 1.769 -0.874 -3.956 6 H ASN 2 HN ASN 2 3.222 2.268 -1.212 7 HA ASN 2 HA ASN 2 1.550 3.344 -3.385 8 HB2 ASN 2 HB1 ASN 2 2.577 5.057 -1.132 9 HB3 ASN 2 HB2 ASN 2 1.285 5.405 -2.277 10 HD21 ASN 2 HD21 ASN 2 0.485 3.683 1.230 11 HD22 ASN 2 HD22 ASN 2 2.034 4.313 0.792 12 H ALA 3 HN ALA 3 2.714 5.744 -3.796 13 HA ALA 3 HA ALA 3 5.588 5.470 -3.965 14 HB1 ALA 3 HB1 ALA 3 4.009 4.561 -6.111 15 HB2 ALA 3 HB2 ALA 3 4.730 6.088 -6.622 16 HB3 ALA 3 HB3 ALA 3 5.760 4.770 -6.063 17 H GLY 4 HN GLY 4 6.623 7.418 -4.840 18 HA2 GLY 4 HA2 GLY 4 5.136 9.781 -4.027 19 HA3 GLY 4 HA1 GLY 4 6.851 9.704 -4.400 20 H ARG 5 HN ARG 5 6.748 11.553 -5.700 21 HA ARG 5 HA ARG 5 6.247 11.077 -8.437 22 HB2 ARG 5 HB1 ARG 5 4.363 12.452 -8.876 23 HB3 ARG 5 HB2 ARG 5 3.896 11.387 -7.557 24 HG2 ARG 5 HG1 ARG 5 3.157 13.265 -6.597 25 HG3 ARG 5 HG2 ARG 5 4.855 13.525 -6.189 26 HD2 ARG 5 HD1 ARG 5 5.170 14.946 -8.075 27 HD3 ARG 5 HD2 ARG 5 3.591 14.519 -8.734 28 HE ARG 5 HE ARG 5 3.365 15.695 -6.153 29 HH11 ARG 5 HH11 ARG 5 3.882 16.433 -9.516 30 HH12 ARG 5 HH12 ARG 5 3.236 18.037 -9.398 31 HH21 ARG 5 HH21 ARG 5 2.513 17.805 -5.985 32 HH22 ARG 5 HH22 ARG 5 2.459 18.816 -7.388 33 H SER 6 HN SER 6 7.209 12.610 -9.727 34 HA SER 6 HA SER 6 7.796 15.252 -8.980 35 HB2 SER 6 HB1 SER 6 9.358 13.645 -7.505 36 HB3 SER 6 HB2 SER 6 10.358 13.741 -8.954 37 HG SER 6 HG SER 6 11.001 15.527 -8.020 38 H ALA 7 HN ALA 7 9.956 15.929 -10.354 39 HA ALA 7 HA ALA 7 9.584 14.743 -13.028 40 HB1 ALA 7 HB1 ALA 7 8.844 17.278 -12.318 41 HB2 ALA 7 HB2 ALA 7 10.450 17.533 -13.004 42 HB3 ALA 7 HB3 ALA 7 9.198 16.739 -13.960 43 H ALA 8 HN ALA 8 11.516 15.915 -14.451 44 HA ALA 8 HA ALA 8 13.979 15.068 -13.079 45 HB1 ALA 8 HB1 ALA 8 12.904 14.237 -15.505 46 HB2 ALA 8 HB2 ALA 8 14.235 15.308 -15.946 47 HB3 ALA 8 HB3 ALA 8 14.531 13.919 -14.901 48 H ASP 9 HN ASP 9 12.360 17.733 -14.450 49 HA ASP 9 HA ASP 9 14.786 19.360 -14.152 50 HB2 ASP 9 HB1 ASP 9 13.020 19.134 -16.547 51 HB3 ASP 9 HB2 ASP 9 13.680 20.718 -16.150 52 H HIS 10 HN HIS 10 13.832 19.867 -12.085 53 HA HIS 10 HA HIS 10 12.093 22.173 -12.257 54 HB2 HIS 10 HB1 HIS 10 11.075 19.581 -11.488 55 HB3 HIS 10 HB2 HIS 10 10.937 20.719 -10.151 56 HD1 HIS 10 HD1 HIS 10 9.180 22.536 -10.336 57 HD2 HIS 10 HD2 HIS 10 9.587 20.300 -13.814 58 HE1 HIS 10 HE1 HIS 10 7.245 23.206 -11.797 59 H TRP 11 HN TRP 11 13.679 23.430 -11.372 60 HA TRP 11 HA TRP 11 14.804 22.632 -8.786 61 HB2 TRP 11 HB1 TRP 11 16.075 23.636 -10.939 62 HB3 TRP 11 HB2 TRP 11 15.699 25.137 -10.098 63 HD1 TRP 11 HD1 TRP 11 16.462 24.969 -7.303 64 HE1 TRP 11 HE1 TRP 11 18.743 24.172 -6.416 65 HE3 TRP 11 HE3 TRP 11 18.022 22.291 -11.368 66 HZ2 TRP 11 HZ2 TRP 11 20.916 22.615 -7.321 67 HZ3 TRP 11 HZ3 TRP 11 20.215 21.179 -11.277 68 HH2 TRP 11 HH2 TRP 11 21.631 21.339 -9.295 69 H VAL 12 HN VAL 12 12.042 23.591 -9.133 70 HA VAL 12 HA VAL 12 11.896 25.296 -6.897 71 HB VAL 12 HB VAL 12 12.710 26.909 -8.698 72 HG11 VAL 12 HG11 VAL 12 11.247 26.005 -10.486 73 HG12 VAL 12 HG12 VAL 12 9.854 26.675 -9.635 74 HG13 VAL 12 HG13 VAL 12 11.099 27.749 -10.273 75 HG21 VAL 12 HG21 VAL 12 10.154 28.020 -7.792 76 HG22 VAL 12 HG22 VAL 12 11.111 27.261 -6.520 77 HG23 VAL 12 HG23 VAL 12 11.802 28.566 -7.484 78 H LYS 13 HN LYS 13 9.675 25.950 -6.398 79 HA LYS 13 HA LYS 13 7.476 25.115 -7.974 80 HB2 LYS 13 HB1 LYS 13 8.700 23.105 -6.298 81 HB3 LYS 13 HB2 LYS 13 7.052 23.424 -5.773 82 HG2 LYS 13 HG1 LYS 13 6.675 23.239 -8.433 83 HG3 LYS 13 HG2 LYS 13 8.045 22.145 -8.228 84 HD2 LYS 13 HD1 LYS 13 6.820 20.889 -6.548 85 HD3 LYS 13 HD2 LYS 13 5.465 22.014 -6.665 86 HE2 LYS 13 HE1 LYS 13 4.795 20.223 -7.990 87 HE3 LYS 13 HE2 LYS 13 5.431 21.378 -9.159 88 HZ1 LYS 13 HZ1 LYS 13 6.383 18.752 -8.473 89 HZ2 LYS 13 HZ2 LYS 13 7.609 19.916 -8.511 90 HZ3 LYS 13 HZ3 LYS 13 6.641 19.663 -9.875 91 H ASP 14 HN ASP 14 6.358 26.911 -7.484 92 HA ASP 14 HA ASP 14 5.234 27.151 -4.845 93 HB2 ASP 14 HB1 ASP 14 7.562 28.655 -5.468 94 HB3 ASP 14 HB2 ASP 14 6.204 29.776 -5.431 95 H GLU 15 HN GLU 15 4.449 26.803 -7.700 96 HA GLU 15 HA GLU 15 3.112 29.219 -8.477 97 HB2 GLU 15 HB1 GLU 15 2.046 27.742 -10.203 98 HB3 GLU 15 HB2 GLU 15 3.804 27.744 -10.224 99 HG2 GLU 15 HG1 GLU 15 2.700 25.660 -8.525 100 HG3 GLU 15 HG2 GLU 15 2.184 25.529 -10.206 101 H GLY 16 HN GLY 16 2.141 29.276 -6.178 102 HA2 GLY 16 HA2 GLY 16 -0.629 28.446 -6.438 103 HA3 GLY 16 HA1 GLY 16 0.242 27.725 -5.093 104 H GLY 17 HN GLY 17 -0.446 30.903 -6.550 105 HA2 GLY 17 HA2 GLY 17 -1.582 32.038 -4.285 106 HA3 GLY 17 HA1 GLY 17 0.141 32.369 -4.191 107 H ASP 18 HN ASP 18 0.775 32.805 -6.831 108 HA ASP 18 HA ASP 18 -1.039 34.708 -8.000 109 HB2 ASP 18 HB1 ASP 18 1.408 35.607 -6.510 110 HB3 ASP 18 HB2 ASP 18 0.827 36.523 -7.897 111 H SER 19 HN SER 19 0.180 32.308 -8.882 112 HA SER 19 HA SER 19 1.595 33.340 -11.222 113 HB2 SER 19 HB1 SER 19 2.630 31.040 -9.545 114 HB3 SER 19 HB2 SER 19 3.310 31.578 -11.081 115 HG SER 19 HG SER 19 3.595 32.634 -8.566 116 H CYS 20 HN CYS 20 1.132 32.275 -13.086 117 HA CYS 20 HA CYS 20 -1.183 30.797 -13.338 118 HB2 CYS 20 HB1 CYS 20 -0.010 31.928 -15.208 119 HB3 CYS 20 HB2 CYS 20 1.223 30.672 -15.168 120 H SER 21 HN SER 21 -1.563 28.573 -13.870 121 HA SER 21 HA SER 21 0.195 26.783 -12.367 122 HB2 SER 21 HB1 SER 21 -2.589 27.010 -12.556 123 HB3 SER 21 HB2 SER 21 -2.195 25.531 -13.431 124 HG SER 21 HG SER 21 -1.506 24.624 -11.628 125 H GLY 22 HN GLY 22 -1.033 27.350 -15.597 126 HA2 GLY 22 HA2 GLY 22 0.325 24.940 -16.580 127 HA3 GLY 22 HA1 GLY 22 -0.830 25.911 -17.482 128 H CYS 23 HN CYS 23 1.286 27.937 -15.899 129 HA CYS 23 HA CYS 23 3.325 27.889 -17.983 130 HB2 CYS 23 HB1 CYS 23 1.573 30.291 -17.429 131 HB3 CYS 23 HB2 CYS 23 3.044 30.335 -18.394 132 H SER 24 HN SER 24 2.143 29.010 -14.902 133 HA SER 24 HA SER 24 3.238 29.545 -12.975 134 HB2 SER 24 HB1 SER 24 4.840 27.716 -13.812 135 HB3 SER 24 HB2 SER 24 5.868 29.040 -14.359 136 HG SER 24 HG SER 24 6.067 29.735 -12.256 137 H VAL 25 HN VAL 25 3.101 31.278 -15.607 138 HA VAL 25 HA VAL 25 5.127 33.238 -15.347 139 HB VAL 25 HB VAL 25 4.019 33.143 -17.434 140 HG11 VAL 25 HG11 VAL 25 1.429 33.948 -17.223 141 HG12 VAL 25 HG12 VAL 25 1.952 32.268 -17.362 142 HG13 VAL 25 HG13 VAL 25 1.609 32.958 -15.775 143 HG21 VAL 25 HG21 VAL 25 4.602 35.410 -16.620 144 HG22 VAL 25 HG22 VAL 25 3.267 35.408 -17.772 145 HG23 VAL 25 HG23 VAL 25 2.944 35.597 -16.049 146 H ARG 26 HN ARG 26 5.395 34.596 -13.713 147 HA ARG 26 HA ARG 26 3.604 35.017 -11.629 148 HB2 ARG 26 HB1 ARG 26 5.662 37.044 -12.486 149 HB3 ARG 26 HB2 ARG 26 5.073 36.717 -10.862 150 HG2 ARG 26 HG1 ARG 26 6.849 34.968 -12.546 151 HG3 ARG 26 HG2 ARG 26 7.272 35.820 -11.059 152 HD2 ARG 26 HD1 ARG 26 5.132 34.337 -10.257 153 HD3 ARG 26 HD2 ARG 26 5.875 33.270 -11.448 154 HE ARG 26 HE ARG 26 7.567 32.886 -9.969 155 HH11 ARG 26 HH11 ARG 26 5.939 35.825 -9.059 156 HH12 ARG 26 HH12 ARG 26 6.839 36.024 -7.593 157 HH21 ARG 26 HH21 ARG 26 8.759 33.136 -8.041 158 HH22 ARG 26 HH22 ARG 26 8.444 34.495 -7.015 159 H PHE 27 HN PHE 27 1.635 35.861 -11.790 160 HA PHE 27 HA PHE 27 0.659 37.439 -13.850 161 HB2 PHE 27 HB1 PHE 27 -0.300 37.359 -10.981 162 HB3 PHE 27 HB2 PHE 27 -1.224 37.957 -12.355 163 HD1 PHE 27 HD1 PHE 27 -1.063 36.082 -14.407 164 HD2 PHE 27 HD2 PHE 27 -1.057 35.346 -10.214 165 HE1 PHE 27 HE1 PHE 27 -1.935 33.816 -14.807 166 HE2 PHE 27 HE2 PHE 27 -1.927 33.079 -10.608 167 HZ PHE 27 HZ PHE 27 -2.366 32.311 -12.906 168 H SER 28 HN SER 28 0.159 39.660 -14.009 169 HA SER 28 HA SER 28 1.157 41.537 -12.075 170 HB2 SER 28 HB1 SER 28 2.501 41.396 -14.786 171 HB3 SER 28 HB2 SER 28 2.787 42.624 -13.553 172 HG SER 28 HG SER 28 3.430 40.820 -12.170 173 H LEU 29 HN LEU 29 1.264 43.823 -13.501 174 HA LEU 29 HA LEU 29 -1.430 44.446 -13.948 175 HB2 LEU 29 HB1 LEU 29 0.854 45.999 -15.121 176 HB3 LEU 29 HB2 LEU 29 -0.707 46.597 -14.563 177 HG LEU 29 HG LEU 29 0.360 45.561 -12.267 178 HD11 LEU 29 HD11 LEU 29 2.502 45.316 -13.716 179 HD12 LEU 29 HD12 LEU 29 2.620 45.985 -12.089 180 HD13 LEU 29 HD13 LEU 29 2.638 47.060 -13.486 181 HD21 LEU 29 HD21 LEU 29 0.027 48.231 -13.471 182 HD22 LEU 29 HD22 LEU 29 1.116 48.139 -12.086 183 HD23 LEU 29 HD23 LEU 29 -0.555 47.595 -11.932 184 H THR 30 HN THR 30 0.966 43.113 -16.032 185 HA THR 30 HA THR 30 -0.620 43.692 -18.424 186 HB THR 30 HB THR 30 1.273 42.781 -19.696 187 HG1 THR 30 HG1 THR 30 2.066 41.274 -18.195 188 HG21 THR 30 HG21 THR 30 1.512 45.043 -17.831 189 HG22 THR 30 HG22 THR 30 1.756 44.981 -19.576 190 HG23 THR 30 HG23 THR 30 3.039 44.456 -18.487 191 H GLU 31 HN GLU 31 0.106 41.156 -16.209 192 HA GLU 31 HA GLU 31 -1.179 39.196 -17.992 193 HB2 GLU 31 HB1 GLU 31 1.188 38.753 -17.158 194 HB3 GLU 31 HB2 GLU 31 0.482 38.546 -15.562 195 HG2 GLU 31 HG1 GLU 31 0.843 36.411 -16.683 196 HG3 GLU 31 HG2 GLU 31 -0.865 36.702 -16.362 197 H ARG 32 HN ARG 32 -3.274 39.027 -17.541 198 HA ARG 32 HA ARG 32 -4.372 39.664 -14.981 199 HB2 ARG 32 HB1 ARG 32 -5.379 38.958 -17.637 200 HB3 ARG 32 HB2 ARG 32 -6.354 38.305 -16.328 201 HG2 ARG 32 HG1 ARG 32 -5.591 41.134 -16.055 202 HG3 ARG 32 HG2 ARG 32 -6.692 40.755 -17.381 203 HD2 ARG 32 HD1 ARG 32 -8.373 40.092 -15.978 204 HD3 ARG 32 HD2 ARG 32 -7.259 39.581 -14.711 205 HE ARG 32 HE ARG 32 -8.393 42.205 -15.078 206 HH11 ARG 32 HH11 ARG 32 -5.813 40.352 -13.654 207 HH12 ARG 32 HH12 ARG 32 -5.468 41.528 -12.429 208 HH21 ARG 32 HH21 ARG 32 -7.949 43.761 -13.470 209 HH22 ARG 32 HH22 ARG 32 -6.685 43.466 -12.325 210 H ARG 33 HN ARG 33 -5.349 38.286 -13.483 211 HA ARG 33 HA ARG 33 -4.565 35.454 -13.712 212 HB2 ARG 33 HB1 ARG 33 -4.210 35.381 -11.344 213 HB3 ARG 33 HB2 ARG 33 -3.323 36.761 -11.975 214 HG2 ARG 33 HG1 ARG 33 -4.577 38.254 -10.850 215 HG3 ARG 33 HG2 ARG 33 -6.061 37.320 -11.052 216 HD2 ARG 33 HD1 ARG 33 -5.325 35.766 -9.318 217 HD3 ARG 33 HD2 ARG 33 -3.827 36.678 -9.129 218 HE ARG 33 HE ARG 33 -5.873 38.483 -8.729 219 HH11 ARG 33 HH11 ARG 33 -4.780 35.516 -7.271 220 HH12 ARG 33 HH12 ARG 33 -5.357 35.928 -5.690 221 HH21 ARG 33 HH21 ARG 33 -6.637 39.036 -6.652 222 HH22 ARG 33 HH22 ARG 33 -6.414 37.930 -5.339 223 H HIS 34 HN HIS 34 -5.968 33.901 -12.710 224 HA HIS 34 HA HIS 34 -8.542 34.663 -11.723 225 HB2 HIS 34 HB1 HIS 34 -9.563 33.182 -13.726 226 HB3 HIS 34 HB2 HIS 34 -9.445 34.938 -13.794 227 HD1 HIS 34 HD1 HIS 34 -8.152 31.844 -15.353 228 HD2 HIS 34 HD2 HIS 34 -7.344 35.918 -15.454 229 HE1 HIS 34 HE1 HIS 34 -6.690 32.190 -17.370 230 H HIS 35 HN HIS 35 -9.120 33.163 -10.301 231 HA HIS 35 HA HIS 35 -7.763 30.590 -10.319 232 HB2 HIS 35 HB1 HIS 35 -8.624 32.322 -8.300 233 HB3 HIS 35 HB2 HIS 35 -9.705 30.935 -8.193 234 HD1 HIS 35 HD1 HIS 35 -7.097 31.928 -6.366 235 HD2 HIS 35 HD2 HIS 35 -7.536 28.551 -8.747 236 HE1 HIS 35 HE1 HIS 35 -5.440 30.259 -5.477 237 H CYS 36 HN CYS 36 -8.631 28.998 -11.467 238 HA CYS 36 HA CYS 36 -11.225 28.911 -12.473 239 HB2 CYS 36 HB1 CYS 36 -9.286 27.558 -13.293 240 HB3 CYS 36 HB2 CYS 36 -9.464 26.525 -11.879 241 H ARG 37 HN ARG 37 -13.114 28.607 -11.514 242 HA ARG 37 HA ARG 37 -13.265 27.743 -8.776 243 HB2 ARG 37 HB1 ARG 37 -15.656 28.099 -10.553 244 HB3 ARG 37 HB2 ARG 37 -15.502 28.409 -8.829 245 HG2 ARG 37 HG1 ARG 37 -14.248 30.039 -11.029 246 HG3 ARG 37 HG2 ARG 37 -15.682 30.478 -10.099 247 HD2 ARG 37 HD1 ARG 37 -13.386 29.789 -8.435 248 HD3 ARG 37 HD2 ARG 37 -13.092 31.170 -9.492 249 HE ARG 37 HE ARG 37 -15.581 31.493 -8.231 250 HH11 ARG 37 HH11 ARG 37 -12.178 31.501 -7.493 251 HH12 ARG 37 HH12 ARG 37 -12.338 32.595 -6.159 252 HH21 ARG 37 HH21 ARG 37 -15.803 32.933 -6.477 253 HH22 ARG 37 HH22 ARG 37 -14.400 33.408 -5.581 254 H ASN 38 HN ASN 38 -12.831 26.040 -11.496 255 HA ASN 38 HA ASN 38 -14.669 23.866 -10.804 256 HB2 ASN 38 HB1 ASN 38 -14.338 24.755 -13.206 257 HB3 ASN 38 HB2 ASN 38 -12.809 23.882 -13.170 258 HD21 ASN 38 HD21 ASN 38 -15.819 21.887 -14.441 259 HD22 ASN 38 HD22 ASN 38 -15.418 23.554 -14.659 260 H CYS 39 HN CYS 39 -11.219 24.509 -11.306 261 HA CYS 39 HA CYS 39 -10.601 21.938 -10.018 262 HB2 CYS 39 HB1 CYS 39 -8.617 23.669 -11.479 263 HB3 CYS 39 HB2 CYS 39 -8.514 21.949 -11.120 264 H GLY 40 HN GLY 40 -9.988 25.404 -9.897 265 HA2 GLY 40 HA2 GLY 40 -9.681 26.567 -7.848 266 HA3 GLY 40 HA1 GLY 40 -9.098 25.077 -7.121 267 H GLN 41 HN GLN 41 -7.939 26.094 -10.237 268 HA GLN 41 HA GLN 41 -5.349 26.755 -8.997 269 HB2 GLN 41 HB1 GLN 41 -5.806 25.654 -11.773 270 HB3 GLN 41 HB2 GLN 41 -4.257 25.902 -10.976 271 HG2 GLN 41 HG1 GLN 41 -5.833 24.247 -9.305 272 HG3 GLN 41 HG2 GLN 41 -5.929 23.612 -10.947 273 HE21 GLN 41 HE21 GLN 41 -2.753 22.264 -10.921 274 HE22 GLN 41 HE22 GLN 41 -4.282 22.453 -11.702 275 H LEU 42 HN LEU 42 -4.085 28.413 -9.967 276 HA LEU 42 HA LEU 42 -5.727 30.486 -11.207 277 HB2 LEU 42 HB1 LEU 42 -3.366 30.418 -9.487 278 HB3 LEU 42 HB2 LEU 42 -3.251 31.591 -10.797 279 HG LEU 42 HG LEU 42 -5.537 31.492 -8.834 280 HD11 LEU 42 HD11 LEU 42 -3.535 31.967 -7.594 281 HD12 LEU 42 HD12 LEU 42 -4.447 33.463 -7.800 282 HD13 LEU 42 HD13 LEU 42 -3.023 33.154 -8.794 283 HD21 LEU 42 HD21 LEU 42 -4.904 34.010 -10.132 284 HD22 LEU 42 HD22 LEU 42 -6.443 33.158 -10.004 285 HD23 LEU 42 HD23 LEU 42 -5.309 32.742 -11.289 286 H PHE 43 HN PHE 43 -5.611 30.945 -13.299 287 HA PHE 43 HA PHE 43 -3.211 30.111 -14.790 288 HB2 PHE 43 HB1 PHE 43 -6.084 30.006 -15.731 289 HB3 PHE 43 HB2 PHE 43 -4.678 29.639 -16.725 290 HD1 PHE 43 HD1 PHE 43 -3.212 27.693 -16.063 291 HD2 PHE 43 HD2 PHE 43 -7.058 28.375 -14.371 292 HE1 PHE 43 HE1 PHE 43 -3.298 25.348 -15.321 293 HE2 PHE 43 HE2 PHE 43 -7.149 26.033 -13.625 294 HZ PHE 43 HZ PHE 43 -5.268 24.516 -14.099 295 H CYS 44 HN CYS 44 -2.909 31.311 -16.849 296 HA CYS 44 HA CYS 44 -3.368 34.146 -16.380 297 HB2 CYS 44 HB1 CYS 44 -1.774 34.463 -18.258 298 HB3 CYS 44 HB2 CYS 44 -1.109 33.483 -16.955 299 H GLN 45 HN GLN 45 -4.064 35.556 -18.137 300 HA GLN 45 HA GLN 45 -6.511 34.820 -19.226 301 HB2 GLN 45 HB1 GLN 45 -6.217 37.111 -19.084 302 HB3 GLN 45 HB2 GLN 45 -4.591 37.050 -19.751 303 HG2 GLN 45 HG1 GLN 45 -5.334 36.986 -21.923 304 HG3 GLN 45 HG2 GLN 45 -6.905 36.321 -21.479 305 HE21 GLN 45 HE21 GLN 45 -6.624 40.161 -22.190 306 HE22 GLN 45 HE22 GLN 45 -5.556 38.925 -22.752 307 H LYS 46 HN LYS 46 -3.329 34.197 -20.356 308 HA LYS 46 HA LYS 46 -4.189 33.627 -23.076 309 HB2 LYS 46 HB1 LYS 46 -1.749 34.365 -21.879 310 HB3 LYS 46 HB2 LYS 46 -1.515 32.730 -22.482 311 HG2 LYS 46 HG1 LYS 46 -2.366 35.148 -24.056 312 HG3 LYS 46 HG2 LYS 46 -0.844 34.264 -24.180 313 HD2 LYS 46 HD1 LYS 46 -2.195 32.249 -24.854 314 HD3 LYS 46 HD2 LYS 46 -3.597 33.317 -24.957 315 HE2 LYS 46 HE1 LYS 46 -2.772 33.201 -27.148 316 HE3 LYS 46 HE2 LYS 46 -2.180 34.742 -26.529 317 HZ1 LYS 46 HZ1 LYS 46 -0.038 33.974 -26.405 318 HZ2 LYS 46 HZ2 LYS 46 -0.584 33.144 -27.774 319 HZ3 LYS 46 HZ3 LYS 46 -0.493 32.349 -26.283 320 H CYS 47 HN CYS 47 -3.868 32.006 -20.103 321 HA CYS 47 HA CYS 47 -3.408 29.382 -21.207 322 HB2 CYS 47 HB1 CYS 47 -3.426 30.587 -18.592 323 HB3 CYS 47 HB2 CYS 47 -4.430 29.141 -18.590 324 H SER 48 HN SER 48 -6.144 31.014 -19.615 325 HA SER 48 HA SER 48 -7.928 28.896 -20.564 326 HB2 SER 48 HB1 SER 48 -8.825 31.187 -18.846 327 HB3 SER 48 HB2 SER 48 -9.437 29.534 -18.907 328 HG SER 48 HG SER 48 -6.856 30.228 -17.960 329 H ARG 49 HN ARG 49 -7.408 32.378 -20.788 330 HA ARG 49 HA ARG 49 -8.513 33.990 -22.015 331 HB2 ARG 49 HB1 ARG 49 -8.441 33.360 -24.500 332 HB3 ARG 49 HB2 ARG 49 -6.918 33.373 -23.621 333 HG2 ARG 49 HG1 ARG 49 -7.179 30.896 -23.323 334 HG3 ARG 49 HG2 ARG 49 -8.547 30.982 -24.435 335 HD2 ARG 49 HD1 ARG 49 -6.841 32.218 -25.978 336 HD3 ARG 49 HD2 ARG 49 -5.641 31.424 -24.960 337 HE ARG 49 HE ARG 49 -7.440 29.472 -25.758 338 HH11 ARG 49 HH11 ARG 49 -5.156 31.644 -27.238 339 HH12 ARG 49 HH12 ARG 49 -4.820 30.590 -28.571 340 HH21 ARG 49 HH21 ARG 49 -7.006 28.076 -27.509 341 HH22 ARG 49 HH22 ARG 49 -5.873 28.561 -28.725 342 H PHE 50 HN PHE 50 -10.318 32.038 -20.769 343 HA PHE 50 HA PHE 50 -12.623 32.500 -22.512 344 HB2 PHE 50 HB1 PHE 50 -11.912 29.845 -21.254 345 HB3 PHE 50 HB2 PHE 50 -13.482 30.211 -21.962 346 HD1 PHE 50 HD1 PHE 50 -12.779 31.671 -24.377 347 HD2 PHE 50 HD2 PHE 50 -10.937 28.261 -22.618 348 HE1 PHE 50 HE1 PHE 50 -11.942 30.986 -26.587 349 HE2 PHE 50 HE2 PHE 50 -10.097 27.571 -24.825 350 HZ PHE 50 HZ PHE 50 -10.598 28.935 -26.813 351 H GLN 51 HN GLN 51 -14.709 31.945 -21.264 352 HA GLN 51 HA GLN 51 -14.589 32.141 -18.404 353 HB2 GLN 51 HB1 GLN 51 -14.851 34.552 -20.029 354 HB3 GLN 51 HB2 GLN 51 -16.174 34.354 -18.889 355 HG2 GLN 51 HG1 GLN 51 -14.610 34.206 -17.049 356 HG3 GLN 51 HG2 GLN 51 -13.253 34.309 -18.170 357 HE21 GLN 51 HE21 GLN 51 -15.499 37.646 -17.401 358 HE22 GLN 51 HE22 GLN 51 -16.190 36.070 -17.253 359 H SER 52 HN SER 52 -16.327 31.178 -17.567 360 HA SER 52 HA SER 52 -18.957 31.437 -18.542 361 HB2 SER 52 HB1 SER 52 -17.392 29.553 -19.970 362 HB3 SER 52 HB2 SER 52 -18.517 28.635 -18.969 363 HG SER 52 HG SER 52 -19.269 30.779 -20.669 364 H GLU 53 HN GLU 53 -20.432 29.725 -17.513 365 HA GLU 53 HA GLU 53 -19.721 29.561 -14.727 366 HB2 GLU 53 HB1 GLU 53 -22.018 28.519 -14.527 367 HB3 GLU 53 HB2 GLU 53 -21.973 30.155 -15.169 368 HG2 GLU 53 HG1 GLU 53 -21.790 28.363 -17.354 369 HG3 GLU 53 HG2 GLU 53 -23.110 27.826 -16.316 370 H ILE 54 HN ILE 54 -20.421 27.424 -13.578 371 HA ILE 54 HA ILE 54 -19.406 25.112 -15.085 372 HB ILE 54 HB ILE 54 -18.660 25.693 -12.219 373 HG12 ILE 54 HG11 ILE 54 -16.718 25.787 -14.500 374 HG13 ILE 54 HG12 ILE 54 -17.698 27.203 -14.137 375 HG21 ILE 54 HG21 ILE 54 -17.602 23.641 -14.159 376 HG22 ILE 54 HG22 ILE 54 -17.110 23.851 -12.479 377 HG23 ILE 54 HG23 ILE 54 -18.748 23.317 -12.858 378 HD11 ILE 54 HD11 ILE 54 -15.749 25.831 -12.305 379 HD12 ILE 54 HD12 ILE 54 -15.583 27.422 -13.050 380 HD13 ILE 54 HD13 ILE 54 -16.819 27.148 -11.822 381 H LYS 55 HN LYS 55 -21.670 24.580 -15.281 382 HA LYS 55 HA LYS 55 -23.456 24.221 -13.188 383 HB2 LYS 55 HB1 LYS 55 -23.486 23.781 -15.911 384 HB3 LYS 55 HB2 LYS 55 -23.661 22.160 -15.254 385 HG2 LYS 55 HG1 LYS 55 -25.823 22.574 -15.029 386 HG3 LYS 55 HG2 LYS 55 -25.409 23.729 -13.759 387 HD2 LYS 55 HD1 LYS 55 -25.243 24.614 -16.598 388 HD3 LYS 55 HD2 LYS 55 -26.837 24.447 -15.860 389 HE2 LYS 55 HE1 LYS 55 -25.862 25.850 -13.939 390 HE3 LYS 55 HE2 LYS 55 -24.575 26.254 -15.073 391 HZ1 LYS 55 HZ1 LYS 55 -25.980 27.918 -15.586 392 HZ2 LYS 55 HZ2 LYS 55 -27.357 27.094 -15.050 393 HZ3 LYS 55 HZ3 LYS 55 -26.704 26.750 -16.573 394 H ARG 56 HN ARG 56 -20.866 22.147 -14.318 395 HA ARG 56 HA ARG 56 -21.592 19.799 -12.950 396 HB2 ARG 56 HB1 ARG 56 -19.714 20.310 -14.748 397 HB3 ARG 56 HB2 ARG 56 -18.713 20.496 -13.315 398 HG2 ARG 56 HG1 ARG 56 -18.751 18.289 -12.830 399 HG3 ARG 56 HG2 ARG 56 -20.391 18.070 -13.443 400 HD2 ARG 56 HD1 ARG 56 -18.306 18.740 -15.431 401 HD3 ARG 56 HD2 ARG 56 -18.213 17.139 -14.698 402 HE ARG 56 HE ARG 56 -20.845 17.526 -15.499 403 HH11 ARG 56 HH11 ARG 56 -17.692 17.282 -16.956 404 HH12 ARG 56 HH12 ARG 56 -18.287 16.625 -18.445 405 HH21 ARG 56 HH21 ARG 56 -21.640 16.661 -17.454 406 HH22 ARG 56 HH22 ARG 56 -20.534 16.273 -18.727 407 H LEU 57 HN LEU 57 -20.325 22.780 -11.836 408 HA LEU 57 HA LEU 57 -19.623 21.576 -9.243 409 HB2 LEU 57 HB1 LEU 57 -18.636 23.964 -10.721 410 HB3 LEU 57 HB2 LEU 57 -18.612 23.994 -8.959 411 HG LEU 57 HG LEU 57 -16.465 23.312 -10.104 412 HD11 LEU 57 HD11 LEU 57 -16.142 22.642 -8.009 413 HD12 LEU 57 HD12 LEU 57 -16.629 21.034 -8.542 414 HD13 LEU 57 HD13 LEU 57 -17.820 22.126 -7.836 415 HD21 LEU 57 HD21 LEU 57 -17.858 21.802 -11.720 416 HD22 LEU 57 HD22 LEU 57 -17.687 20.609 -10.431 417 HD23 LEU 57 HD23 LEU 57 -16.252 21.296 -11.193 418 H LYS 58 HN LYS 58 -22.286 22.526 -10.451 419 HA LYS 58 HA LYS 58 -24.226 23.374 -9.614 420 HB2 LYS 58 HB1 LYS 58 -22.793 23.974 -7.034 421 HB3 LYS 58 HB2 LYS 58 -24.500 23.625 -7.278 422 HG2 LYS 58 HG1 LYS 58 -23.596 21.319 -8.125 423 HG3 LYS 58 HG2 LYS 58 -22.180 21.764 -7.170 424 HD2 LYS 58 HD1 LYS 58 -23.578 22.042 -5.196 425 HD3 LYS 58 HD2 LYS 58 -25.018 21.664 -6.144 426 HE2 LYS 58 HE1 LYS 58 -23.771 19.461 -6.696 427 HE3 LYS 58 HE2 LYS 58 -22.781 19.863 -5.294 428 HZ1 LYS 58 HZ1 LYS 58 -25.706 19.390 -5.361 429 HZ2 LYS 58 HZ2 LYS 58 -24.909 20.049 -4.023 430 HZ3 LYS 58 HZ3 LYS 58 -24.532 18.485 -4.546 431 H ILE 59 HN ILE 59 -22.067 25.036 -10.831 432 HA ILE 59 HA ILE 59 -22.752 27.654 -9.678 433 HB ILE 59 HB ILE 59 -20.512 27.015 -11.599 434 HG12 ILE 59 HG11 ILE 59 -20.427 27.446 -8.605 435 HG13 ILE 59 HG12 ILE 59 -20.171 25.911 -9.428 436 HG21 ILE 59 HG21 ILE 59 -20.068 29.202 -11.685 437 HG22 ILE 59 HG22 ILE 59 -21.693 29.431 -11.042 438 HG23 ILE 59 HG23 ILE 59 -20.309 29.407 -9.950 439 HD11 ILE 59 HD11 ILE 59 -18.285 27.932 -8.800 440 HD12 ILE 59 HD12 ILE 59 -18.018 26.370 -9.573 441 HD13 ILE 59 HD13 ILE 59 -18.385 27.788 -10.554 442 H SER 60 HN SER 60 -24.401 28.600 -10.674 443 HA SER 60 HA SER 60 -24.936 28.047 -13.484 444 HB2 SER 60 HB1 SER 60 -26.719 29.983 -12.271 445 HB3 SER 60 HB2 SER 60 -27.086 28.394 -12.942 446 HG SER 60 HG SER 60 -26.242 27.561 -10.883 447 H SER 61 HN SER 61 -23.469 30.443 -11.537 448 HA SER 61 HA SER 61 -23.820 32.575 -13.478 449 HB2 SER 61 HB1 SER 61 -22.008 33.561 -11.711 450 HB3 SER 61 HB2 SER 61 -23.754 33.642 -11.474 451 HG SER 61 HG SER 61 -22.634 32.773 -9.655 452 HA PRO 62 HA PRO 62 -20.151 31.784 -15.768 453 HB2 PRO 62 HB1 PRO 62 -19.617 34.294 -16.654 454 HB3 PRO 62 HB2 PRO 62 -20.943 33.313 -17.288 455 HG2 PRO 62 HG1 PRO 62 -21.015 35.502 -15.247 456 HG3 PRO 62 HG2 PRO 62 -22.125 35.192 -16.595 457 HD2 PRO 62 HD1 PRO 62 -22.700 34.491 -14.044 458 HD3 PRO 62 HD2 PRO 62 -23.268 33.557 -15.442 459 H VAL 63 HN VAL 63 -18.194 31.384 -14.969 460 HA VAL 63 HA VAL 63 -16.798 33.506 -13.492 461 HB VAL 63 HB VAL 63 -15.909 31.880 -11.897 462 HG11 VAL 63 HG11 VAL 63 -17.611 32.405 -10.572 463 HG12 VAL 63 HG12 VAL 63 -18.544 32.863 -11.997 464 HG13 VAL 63 HG13 VAL 63 -18.642 31.218 -11.369 465 HG21 VAL 63 HG21 VAL 63 -15.864 29.761 -12.644 466 HG22 VAL 63 HG22 VAL 63 -17.490 29.671 -11.967 467 HG23 VAL 63 HG23 VAL 63 -17.268 29.991 -13.687 468 H ARG 64 HN ARG 64 -14.412 32.600 -13.067 469 HA ARG 64 HA ARG 64 -13.273 32.301 -15.677 470 HB2 ARG 64 HB1 ARG 64 -11.706 31.974 -13.141 471 HB3 ARG 64 HB2 ARG 64 -11.205 32.685 -14.670 472 HG2 ARG 64 HG1 ARG 64 -13.061 33.888 -12.630 473 HG3 ARG 64 HG2 ARG 64 -11.431 34.423 -13.043 474 HD2 ARG 64 HD1 ARG 64 -12.353 34.728 -15.420 475 HD3 ARG 64 HD2 ARG 64 -13.945 34.616 -14.669 476 HE ARG 64 HE ARG 64 -12.194 36.855 -14.621 477 HH11 ARG 64 HH11 ARG 64 -14.564 35.139 -12.734 478 HH12 ARG 64 HH12 ARG 64 -15.032 36.532 -11.816 479 HH21 ARG 64 HH21 ARG 64 -12.802 38.696 -13.419 480 HH22 ARG 64 HH22 ARG 64 -14.030 38.554 -12.207 481 H VAL 65 HN VAL 65 -12.698 30.495 -16.697 482 HA VAL 65 HA VAL 65 -12.192 28.057 -15.160 483 HB VAL 65 HB VAL 65 -13.592 26.693 -16.607 484 HG11 VAL 65 HG11 VAL 65 -14.455 28.123 -14.539 485 HG12 VAL 65 HG12 VAL 65 -15.496 28.814 -15.786 486 HG13 VAL 65 HG13 VAL 65 -15.526 27.078 -15.473 487 HG21 VAL 65 HG21 VAL 65 -15.171 27.754 -18.181 488 HG22 VAL 65 HG22 VAL 65 -14.391 29.308 -17.884 489 HG23 VAL 65 HG23 VAL 65 -13.486 27.998 -18.643 490 H CYS 66 HN CYS 66 -10.596 26.816 -15.982 491 HA CYS 66 HA CYS 66 -8.909 27.859 -17.989 492 HB2 CYS 66 HB1 CYS 66 -7.713 25.677 -17.787 493 HB3 CYS 66 HB2 CYS 66 -7.987 26.476 -16.242 494 H GLN 67 HN GLN 67 -8.322 26.883 -20.021 495 HA GLN 67 HA GLN 67 -10.415 26.472 -21.763 496 HB2 GLN 67 HB1 GLN 67 -8.332 27.015 -22.712 497 HB3 GLN 67 HB2 GLN 67 -7.516 25.685 -21.901 498 HG2 GLN 67 HG1 GLN 67 -8.664 24.087 -23.323 499 HG3 GLN 67 HG2 GLN 67 -9.537 25.399 -24.113 500 HE21 GLN 67 HE21 GLN 67 -6.443 26.644 -25.626 501 HE22 GLN 67 HE22 GLN 67 -7.687 27.252 -24.593 502 H ASN 68 HN ASN 68 -8.490 24.045 -20.046 503 HA ASN 68 HA ASN 68 -9.519 21.750 -21.227 504 HB2 ASN 68 HB1 ASN 68 -7.856 22.364 -19.025 505 HB3 ASN 68 HB2 ASN 68 -9.118 21.297 -18.416 506 HD21 ASN 68 HD21 ASN 68 -6.081 19.581 -20.030 507 HD22 ASN 68 HD22 ASN 68 -6.154 21.040 -19.107 508 H CYS 69 HN CYS 69 -10.880 23.832 -18.770 509 HA CYS 69 HA CYS 69 -13.060 22.000 -18.208 510 HB2 CYS 69 HB1 CYS 69 -12.179 24.651 -17.131 511 HB3 CYS 69 HB2 CYS 69 -13.837 24.124 -16.863 512 H TYR 70 HN TYR 70 -12.682 25.257 -19.592 513 HA TYR 70 HA TYR 70 -15.296 25.811 -20.234 514 HB2 TYR 70 HB1 TYR 70 -13.383 27.370 -20.534 515 HB3 TYR 70 HB2 TYR 70 -12.892 26.455 -21.955 516 HD1 TYR 70 HD1 TYR 70 -15.421 28.737 -20.574 517 HD2 TYR 70 HD2 TYR 70 -14.077 26.668 -24.040 518 HE1 TYR 70 HE1 TYR 70 -16.904 30.119 -21.967 519 HE2 TYR 70 HE2 TYR 70 -15.555 28.045 -25.443 520 HH TYR 70 HH TYR 70 -17.714 30.469 -24.009 521 H TYR 71 HN TYR 71 -12.925 24.084 -22.250 522 HA TYR 71 HA TYR 71 -14.484 23.607 -24.475 523 HB2 TYR 71 HB1 TYR 71 -12.062 22.503 -23.328 524 HB3 TYR 71 HB2 TYR 71 -13.009 21.257 -24.133 525 HD1 TYR 71 HD1 TYR 71 -10.573 23.743 -24.588 526 HD2 TYR 71 HD2 TYR 71 -13.893 21.926 -26.532 527 HE1 TYR 71 HE1 TYR 71 -9.704 24.497 -26.762 528 HE2 TYR 71 HE2 TYR 71 -13.033 22.674 -28.712 529 HH TYR 71 HH TYR 71 -9.880 24.152 -29.035 530 H ASN 72 HN ASN 72 -14.466 21.936 -21.386 531 HA ASN 72 HA ASN 72 -16.311 19.901 -22.300 532 HB2 ASN 72 HB1 ASN 72 -14.415 19.872 -20.378 533 HB3 ASN 72 HB2 ASN 72 -15.828 20.256 -19.397 534 HD21 ASN 72 HD21 ASN 72 -15.135 16.515 -20.289 535 HD22 ASN 72 HD22 ASN 72 -13.984 17.802 -20.249 536 H LEU 73 HN LEU 73 -16.442 22.998 -20.792 537 HA LEU 73 HA LEU 73 -19.026 22.701 -19.603 538 HB2 LEU 73 HB1 LEU 73 -17.322 25.090 -20.258 539 HB3 LEU 73 HB2 LEU 73 -18.917 25.233 -19.522 540 HG LEU 73 HG LEU 73 -16.596 23.747 -18.294 541 HD11 LEU 73 HD11 LEU 73 -15.828 25.869 -18.050 542 HD12 LEU 73 HD12 LEU 73 -16.929 25.826 -16.673 543 HD13 LEU 73 HD13 LEU 73 -17.434 26.587 -18.182 544 HD21 LEU 73 HD21 LEU 73 -19.386 24.392 -17.401 545 HD22 LEU 73 HD22 LEU 73 -18.095 24.089 -16.238 546 HD23 LEU 73 HD23 LEU 73 -18.549 22.839 -17.397 547 H GLN 74 HN GLN 74 -17.818 23.651 -22.730 548 HA GLN 74 HA GLN 74 -20.364 24.710 -23.606 549 HB2 GLN 74 HB1 GLN 74 -17.883 24.110 -25.224 550 HB3 GLN 74 HB2 GLN 74 -19.261 25.071 -25.744 551 HG2 GLN 74 HG1 GLN 74 -17.451 25.774 -23.446 552 HG3 GLN 74 HG2 GLN 74 -17.308 26.422 -25.079 553 HE21 GLN 74 HE21 GLN 74 -19.818 28.068 -22.453 554 HE22 GLN 74 HE22 GLN 74 -18.663 26.847 -22.055 555 H HIS 75 HN HIS 75 -18.558 21.730 -23.827 556 HA HIS 75 HA HIS 75 -20.515 20.598 -25.684 557 HB2 HIS 75 HB1 HIS 75 -17.768 19.829 -24.798 558 HB3 HIS 75 HB2 HIS 75 -18.850 18.563 -25.370 559 HD1 HIS 75 HD1 HIS 75 -18.755 18.155 -27.803 560 HD2 HIS 75 HD2 HIS 75 -17.562 22.017 -26.838 561 HE1 HIS 75 HE1 HIS 75 -18.037 19.200 -29.975 562 H GLU 76 HN GLU 76 -20.707 21.182 -22.627 563 HA GLU 76 HA GLU 76 -21.064 18.652 -21.384 564 HB2 GLU 76 HB1 GLU 76 -21.926 19.848 -19.524 565 HB3 GLU 76 HB2 GLU 76 -20.660 20.856 -20.213 566 HG2 GLU 76 HG1 GLU 76 -22.482 22.091 -21.443 567 HG3 GLU 76 HG2 GLU 76 -23.633 21.213 -20.438 568 H ARG 77 HN ARG 77 -23.113 20.734 -23.280 569 HA ARG 77 HA ARG 77 -25.562 19.412 -22.559 570 HB2 ARG 77 HB1 ARG 77 -24.754 21.621 -24.353 571 HB3 ARG 77 HB2 ARG 77 -26.183 20.721 -24.844 572 HG2 ARG 77 HG1 ARG 77 -27.381 21.342 -22.956 573 HG3 ARG 77 HG2 ARG 77 -25.924 21.767 -22.055 574 HD2 ARG 77 HD1 ARG 77 -25.622 23.755 -23.280 575 HD3 ARG 77 HD2 ARG 77 -26.763 23.253 -24.527 576 HE ARG 77 HE ARG 77 -28.150 23.395 -22.114 577 HH11 ARG 77 HH11 ARG 77 -26.492 25.521 -24.317 578 HH12 ARG 77 HH12 ARG 77 -27.472 26.897 -23.932 579 HH21 ARG 77 HH21 ARG 77 -29.447 25.200 -21.599 580 HH22 ARG 77 HH22 ARG 77 -29.152 26.713 -22.386 581 H GLY 78 HN GLY 78 -23.133 19.088 -25.046 582 HA2 GLY 78 HA2 GLY 78 -24.476 16.646 -25.959 583 HA3 GLY 78 HA1 GLY 78 -24.076 17.867 -27.158 Start of MODEL 2 1 H1 SER 1 HN SER 1 27.501 13.323 1.324 2 HA SER 1 HA SER 1 27.094 12.871 -1.187 3 HB2 SER 1 HB1 SER 1 26.458 10.364 -1.396 4 HB3 SER 1 HB2 SER 1 28.166 10.802 -1.440 5 HG SER 1 HG SER 1 28.419 9.580 0.235 6 H ASN 2 HN ASN 2 24.919 12.564 -1.865 7 HA ASN 2 HA ASN 2 22.933 11.939 0.168 8 HB2 ASN 2 HB1 ASN 2 22.941 14.601 -1.274 9 HB3 ASN 2 HB2 ASN 2 21.700 14.029 -0.162 10 HD21 ASN 2 HD21 ASN 2 24.872 15.976 1.213 11 HD22 ASN 2 HD22 ASN 2 24.426 15.873 -0.453 12 H ALA 3 HN ALA 3 20.639 12.505 -0.991 13 HA ALA 3 HA ALA 3 20.703 11.741 -3.800 14 HB1 ALA 3 HB1 ALA 3 19.995 9.911 -1.636 15 HB2 ALA 3 HB2 ALA 3 18.772 10.028 -2.901 16 HB3 ALA 3 HB3 ALA 3 20.426 9.575 -3.313 17 H GLY 4 HN GLY 4 18.579 11.901 -4.832 18 HA2 GLY 4 HA2 GLY 4 16.493 12.842 -5.148 19 HA3 GLY 4 HA1 GLY 4 16.391 13.093 -3.412 20 H ARG 5 HN ARG 5 16.404 15.127 -2.736 21 HA ARG 5 HA ARG 5 18.118 17.142 -3.612 22 HB2 ARG 5 HB1 ARG 5 17.024 17.218 -5.709 23 HB3 ARG 5 HB2 ARG 5 15.433 17.089 -4.973 24 HG2 ARG 5 HG1 ARG 5 15.830 19.335 -5.792 25 HG3 ARG 5 HG2 ARG 5 15.680 19.329 -4.034 26 HD2 ARG 5 HD1 ARG 5 17.538 20.752 -4.950 27 HD3 ARG 5 HD2 ARG 5 18.024 19.558 -3.747 28 HE ARG 5 HE ARG 5 19.287 18.514 -5.345 29 HH11 ARG 5 HH11 ARG 5 17.066 20.703 -6.893 30 HH12 ARG 5 HH12 ARG 5 17.773 20.514 -8.464 31 HH21 ARG 5 HH21 ARG 5 20.226 18.258 -7.408 32 HH22 ARG 5 HH22 ARG 5 19.569 19.123 -8.756 33 H SER 6 HN SER 6 14.608 17.303 -3.038 34 HA SER 6 HA SER 6 14.712 17.813 -0.293 35 HB2 SER 6 HB1 SER 6 15.430 20.083 -1.950 36 HB3 SER 6 HB2 SER 6 13.985 20.423 -0.998 37 HG SER 6 HG SER 6 16.595 20.015 -0.182 38 H ALA 7 HN ALA 7 13.095 18.791 -3.295 39 HA ALA 7 HA ALA 7 10.620 17.628 -2.399 40 HB1 ALA 7 HB1 ALA 7 10.851 20.070 -1.463 41 HB2 ALA 7 HB2 ALA 7 10.364 20.511 -3.100 42 HB3 ALA 7 HB3 ALA 7 9.317 19.491 -2.113 43 H ALA 8 HN ALA 8 8.830 18.550 -4.134 44 HA ALA 8 HA ALA 8 9.612 17.405 -6.593 45 HB1 ALA 8 HB1 ALA 8 7.223 19.176 -6.105 46 HB2 ALA 8 HB2 ALA 8 7.426 17.980 -7.385 47 HB3 ALA 8 HB3 ALA 8 7.286 17.459 -5.705 48 H ASP 9 HN ASP 9 10.013 20.540 -5.325 49 HA ASP 9 HA ASP 9 11.493 21.456 -7.531 50 HB2 ASP 9 HB1 ASP 9 8.622 21.956 -7.640 51 HB3 ASP 9 HB2 ASP 9 9.565 23.442 -7.708 52 H HIS 10 HN HIS 10 9.246 22.835 -5.125 53 HA HIS 10 HA HIS 10 9.548 24.350 -3.455 54 HB2 HIS 10 HB1 HIS 10 11.437 22.544 -3.019 55 HB3 HIS 10 HB2 HIS 10 12.498 23.888 -3.430 56 HD1 HIS 10 HD1 HIS 10 13.414 24.563 -1.216 57 HD2 HIS 10 HD2 HIS 10 9.288 24.083 -1.128 58 HE1 HIS 10 HE1 HIS 10 12.694 25.348 1.062 59 H TRP 11 HN TRP 11 9.945 25.090 -6.314 60 HA TRP 11 HA TRP 11 11.777 27.364 -6.056 61 HB2 TRP 11 HB1 TRP 11 11.382 25.591 -8.126 62 HB3 TRP 11 HB2 TRP 11 10.450 26.993 -8.643 63 HD1 TRP 11 HD1 TRP 11 12.205 29.383 -7.868 64 HE1 TRP 11 HE1 TRP 11 14.531 29.753 -8.906 65 HE3 TRP 11 HE3 TRP 11 13.186 24.601 -9.386 66 HZ2 TRP 11 HZ2 TRP 11 16.519 28.220 -10.198 67 HZ3 TRP 11 HZ3 TRP 11 15.322 24.137 -10.516 68 HH2 TRP 11 HH2 TRP 11 16.953 25.910 -10.913 69 H VAL 12 HN VAL 12 9.082 27.185 -4.806 70 HA VAL 12 HA VAL 12 8.090 29.747 -5.800 71 HB VAL 12 HB VAL 12 6.114 27.560 -5.217 72 HG11 VAL 12 HG11 VAL 12 5.889 30.052 -6.899 73 HG12 VAL 12 HG12 VAL 12 4.583 28.965 -6.421 74 HG13 VAL 12 HG13 VAL 12 5.407 29.944 -5.206 75 HG21 VAL 12 HG21 VAL 12 7.436 28.188 -7.848 76 HG22 VAL 12 HG22 VAL 12 7.382 26.639 -7.006 77 HG23 VAL 12 HG23 VAL 12 5.912 27.311 -7.712 78 H LYS 13 HN LYS 13 7.343 31.069 -4.225 79 HA LYS 13 HA LYS 13 6.537 30.046 -1.648 80 HB2 LYS 13 HB1 LYS 13 8.791 30.039 -1.071 81 HB3 LYS 13 HB2 LYS 13 9.153 31.443 -2.067 82 HG2 LYS 13 HG1 LYS 13 8.214 32.927 -0.493 83 HG3 LYS 13 HG2 LYS 13 7.453 31.610 0.403 84 HD2 LYS 13 HD1 LYS 13 9.409 32.401 1.596 85 HD3 LYS 13 HD2 LYS 13 9.688 30.762 1.005 86 HE2 LYS 13 HE1 LYS 13 11.195 31.455 -0.598 87 HE3 LYS 13 HE2 LYS 13 10.535 33.088 -0.663 88 HZ1 LYS 13 HZ1 LYS 13 12.765 32.293 0.705 89 HZ2 LYS 13 HZ2 LYS 13 11.595 32.471 1.912 90 HZ3 LYS 13 HZ3 LYS 13 11.954 33.766 0.885 91 H ASP 14 HN ASP 14 4.753 31.172 -1.274 92 HA ASP 14 HA ASP 14 4.704 33.934 -0.873 93 HB2 ASP 14 HB1 ASP 14 4.736 33.423 -3.568 94 HB3 ASP 14 HB2 ASP 14 3.010 33.545 -3.241 95 H GLU 15 HN GLU 15 3.756 31.479 0.294 96 HA GLU 15 HA GLU 15 1.965 30.714 1.469 97 HB2 GLU 15 HB1 GLU 15 1.657 32.992 2.208 98 HB3 GLU 15 HB2 GLU 15 0.844 33.413 0.708 99 HG2 GLU 15 HG1 GLU 15 -0.980 31.870 1.288 100 HG3 GLU 15 HG2 GLU 15 -0.175 31.524 2.817 101 H GLY 16 HN GLY 16 0.041 32.602 -0.819 102 HA2 GLY 16 HA2 GLY 16 -1.529 30.294 -1.496 103 HA3 GLY 16 HA1 GLY 16 -1.710 31.911 -2.160 104 H GLY 17 HN GLY 17 -0.898 32.362 -4.143 105 HA2 GLY 17 HA2 GLY 17 1.249 31.239 -5.438 106 HA3 GLY 17 HA1 GLY 17 -0.092 30.155 -5.778 107 H ASP 18 HN ASP 18 1.038 33.482 -6.091 108 HA ASP 18 HA ASP 18 -1.079 34.142 -7.957 109 HB2 ASP 18 HB1 ASP 18 1.316 35.717 -6.992 110 HB3 ASP 18 HB2 ASP 18 0.087 36.347 -8.085 111 H SER 19 HN SER 19 0.196 32.029 -8.994 112 HA SER 19 HA SER 19 1.523 33.181 -11.331 113 HB2 SER 19 HB1 SER 19 2.636 30.721 -9.978 114 HB3 SER 19 HB2 SER 19 3.355 31.656 -11.289 115 HG SER 19 HG SER 19 3.333 32.141 -8.563 116 H CYS 20 HN CYS 20 1.003 32.205 -13.222 117 HA CYS 20 HA CYS 20 -1.285 30.695 -13.476 118 HB2 CYS 20 HB1 CYS 20 -0.092 31.940 -15.307 119 HB3 CYS 20 HB2 CYS 20 1.046 30.600 -15.397 120 H SER 21 HN SER 21 -1.652 28.490 -14.081 121 HA SER 21 HA SER 21 0.199 26.667 -12.732 122 HB2 SER 21 HB1 SER 21 -2.611 26.866 -12.796 123 HB3 SER 21 HB2 SER 21 -2.210 25.391 -13.675 124 HG SER 21 HG SER 21 -0.745 25.048 -11.736 125 H GLY 22 HN GLY 22 -1.152 27.395 -15.864 126 HA2 GLY 22 HA2 GLY 22 0.093 25.003 -17.022 127 HA3 GLY 22 HA1 GLY 22 -1.062 26.054 -17.827 128 H CYS 23 HN CYS 23 0.904 28.175 -16.411 129 HA CYS 23 HA CYS 23 2.912 28.126 -18.561 130 HB2 CYS 23 HB1 CYS 23 1.280 30.496 -17.636 131 HB3 CYS 23 HB2 CYS 23 2.707 30.631 -18.657 132 H SER 24 HN SER 24 2.093 28.729 -15.271 133 HA SER 24 HA SER 24 3.369 29.040 -13.411 134 HB2 SER 24 HB1 SER 24 5.942 28.885 -14.902 135 HB3 SER 24 HB2 SER 24 5.479 28.136 -13.374 136 HG SER 24 HG SER 24 5.702 26.672 -15.200 137 H VAL 25 HN VAL 25 2.903 31.153 -15.657 138 HA VAL 25 HA VAL 25 4.991 33.072 -15.272 139 HB VAL 25 HB VAL 25 3.765 33.163 -17.328 140 HG11 VAL 25 HG11 VAL 25 1.680 32.193 -16.748 141 HG12 VAL 25 HG12 VAL 25 1.334 33.468 -15.579 142 HG13 VAL 25 HG13 VAL 25 1.335 33.829 -17.306 143 HG21 VAL 25 HG21 VAL 25 2.593 35.579 -16.139 144 HG22 VAL 25 HG22 VAL 25 4.307 35.339 -15.800 145 HG23 VAL 25 HG23 VAL 25 3.739 35.409 -17.468 146 H ARG 26 HN ARG 26 5.102 34.771 -13.895 147 HA ARG 26 HA ARG 26 3.377 34.730 -11.591 148 HB2 ARG 26 HB1 ARG 26 5.420 36.863 -12.122 149 HB3 ARG 26 HB2 ARG 26 4.907 36.180 -10.585 150 HG2 ARG 26 HG1 ARG 26 6.620 34.848 -12.670 151 HG3 ARG 26 HG2 ARG 26 7.132 35.437 -11.087 152 HD2 ARG 26 HD1 ARG 26 5.082 33.772 -10.421 153 HD3 ARG 26 HD2 ARG 26 5.759 32.954 -11.828 154 HE ARG 26 HE ARG 26 7.735 33.757 -9.904 155 HH11 ARG 26 HH11 ARG 26 5.461 31.279 -10.803 156 HH12 ARG 26 HH12 ARG 26 6.301 30.020 -9.961 157 HH21 ARG 26 HH21 ARG 26 8.851 32.108 -8.792 158 HH22 ARG 26 HH22 ARG 26 8.229 30.492 -8.817 159 H PHE 27 HN PHE 27 1.431 35.635 -11.677 160 HA PHE 27 HA PHE 27 0.516 37.456 -13.556 161 HB2 PHE 27 HB1 PHE 27 -0.493 37.144 -10.721 162 HB3 PHE 27 HB2 PHE 27 -1.389 37.817 -12.079 163 HD1 PHE 27 HD1 PHE 27 -1.204 36.078 -14.230 164 HD2 PHE 27 HD2 PHE 27 -1.223 35.074 -10.094 165 HE1 PHE 27 HE1 PHE 27 -2.054 33.836 -14.782 166 HE2 PHE 27 HE2 PHE 27 -2.071 32.830 -10.639 167 HZ PHE 27 HZ PHE 27 -2.487 32.208 -12.986 168 H SER 28 HN SER 28 0.438 39.642 -13.715 169 HA SER 28 HA SER 28 1.252 41.324 -11.501 170 HB2 SER 28 HB1 SER 28 2.834 41.348 -14.083 171 HB3 SER 28 HB2 SER 28 3.090 42.397 -12.689 172 HG SER 28 HG SER 28 3.720 39.702 -13.035 173 H LEU 29 HN LEU 29 1.680 43.680 -12.834 174 HA LEU 29 HA LEU 29 -0.920 44.551 -13.398 175 HB2 LEU 29 HB1 LEU 29 1.578 45.912 -14.366 176 HB3 LEU 29 HB2 LEU 29 0.032 46.647 -13.945 177 HG LEU 29 HG LEU 29 0.765 45.508 -11.576 178 HD11 LEU 29 HD11 LEU 29 3.301 46.798 -12.392 179 HD12 LEU 29 HD12 LEU 29 3.026 45.142 -12.933 180 HD13 LEU 29 HD13 LEU 29 3.001 45.522 -11.211 181 HD21 LEU 29 HD21 LEU 29 -0.089 47.694 -11.648 182 HD22 LEU 29 HD22 LEU 29 1.205 48.257 -12.706 183 HD23 LEU 29 HD23 LEU 29 1.550 47.866 -11.020 184 H THR 30 HN THR 30 1.349 42.936 -15.363 185 HA THR 30 HA THR 30 -0.063 43.738 -17.815 186 HB THR 30 HB THR 30 2.091 44.036 -18.457 187 HG1 THR 30 HG1 THR 30 2.853 42.172 -19.527 188 HG21 THR 30 HG21 THR 30 2.907 41.898 -16.486 189 HG22 THR 30 HG22 THR 30 3.064 43.642 -16.275 190 HG23 THR 30 HG23 THR 30 4.021 42.813 -17.502 191 H GLU 31 HN GLU 31 0.291 41.198 -15.589 192 HA GLU 31 HA GLU 31 -1.036 39.350 -17.460 193 HB2 GLU 31 HB1 GLU 31 1.318 38.686 -16.939 194 HB3 GLU 31 HB2 GLU 31 0.860 38.553 -15.247 195 HG2 GLU 31 HG1 GLU 31 0.758 36.371 -16.016 196 HG3 GLU 31 HG2 GLU 31 -0.922 36.902 -16.060 197 H ARG 32 HN ARG 32 -3.097 39.247 -16.857 198 HA ARG 32 HA ARG 32 -3.939 39.704 -14.154 199 HB2 ARG 32 HB1 ARG 32 -5.323 39.039 -16.727 200 HB3 ARG 32 HB2 ARG 32 -6.195 38.891 -15.207 201 HG2 ARG 32 HG1 ARG 32 -5.424 41.303 -14.769 202 HG3 ARG 32 HG2 ARG 32 -5.073 41.344 -16.498 203 HD2 ARG 32 HD1 ARG 32 -7.483 40.453 -16.769 204 HD3 ARG 32 HD2 ARG 32 -7.707 41.010 -15.111 205 HE ARG 32 HE ARG 32 -6.586 43.001 -16.852 206 HH11 ARG 32 HH11 ARG 32 -9.528 41.540 -15.698 207 HH12 ARG 32 HH12 ARG 32 -10.506 42.927 -16.046 208 HH21 ARG 32 HH21 ARG 32 -7.864 44.833 -17.314 209 HH22 ARG 32 HH22 ARG 32 -9.559 44.799 -16.965 210 H ARG 33 HN ARG 33 -5.227 38.191 -12.899 211 HA ARG 33 HA ARG 33 -4.358 35.406 -13.317 212 HB2 ARG 33 HB1 ARG 33 -4.393 35.102 -10.927 213 HB3 ARG 33 HB2 ARG 33 -3.423 36.521 -11.298 214 HG2 ARG 33 HG1 ARG 33 -4.888 37.952 -10.322 215 HG3 ARG 33 HG2 ARG 33 -6.292 36.956 -10.711 216 HD2 ARG 33 HD1 ARG 33 -5.856 35.474 -8.923 217 HD3 ARG 33 HD2 ARG 33 -4.237 36.129 -8.679 218 HE ARG 33 HE ARG 33 -5.919 38.242 -8.248 219 HH11 ARG 33 HH11 ARG 33 -5.563 35.044 -6.920 220 HH12 ARG 33 HH12 ARG 33 -6.155 35.487 -5.353 221 HH21 ARG 33 HH21 ARG 33 -6.699 38.838 -6.189 222 HH22 ARG 33 HH22 ARG 33 -6.802 37.645 -4.938 223 H HIS 34 HN HIS 34 -5.830 33.728 -12.866 224 HA HIS 34 HA HIS 34 -8.598 34.425 -12.302 225 HB2 HIS 34 HB1 HIS 34 -7.657 33.265 -14.914 226 HB3 HIS 34 HB2 HIS 34 -9.288 32.966 -14.320 227 HD1 HIS 34 HD1 HIS 34 -9.924 35.789 -13.230 228 HD2 HIS 34 HD2 HIS 34 -8.184 35.029 -16.925 229 HE1 HIS 34 HE1 HIS 34 -10.431 37.809 -14.640 230 H HIS 35 HN HIS 35 -9.360 33.008 -10.888 231 HA HIS 35 HA HIS 35 -8.018 30.423 -10.605 232 HB2 HIS 35 HB1 HIS 35 -9.399 30.335 -8.454 233 HB3 HIS 35 HB2 HIS 35 -8.126 31.549 -8.532 234 HD1 HIS 35 HD1 HIS 35 -11.846 31.174 -8.474 235 HD2 HIS 35 HD2 HIS 35 -9.004 34.204 -8.536 236 HE1 HIS 35 HE1 HIS 35 -13.106 33.289 -7.959 237 H CYS 36 HN CYS 36 -8.872 28.805 -11.727 238 HA CYS 36 HA CYS 36 -11.477 28.784 -12.795 239 HB2 CYS 36 HB1 CYS 36 -9.502 27.472 -13.648 240 HB3 CYS 36 HB2 CYS 36 -9.728 26.371 -12.293 241 H ARG 37 HN ARG 37 -13.368 28.337 -11.888 242 HA ARG 37 HA ARG 37 -13.484 27.419 -9.156 243 HB2 ARG 37 HB1 ARG 37 -15.886 27.795 -10.916 244 HB3 ARG 37 HB2 ARG 37 -15.738 28.040 -9.181 245 HG2 ARG 37 HG1 ARG 37 -14.492 29.774 -11.304 246 HG3 ARG 37 HG2 ARG 37 -15.956 30.149 -10.393 247 HD2 ARG 37 HD1 ARG 37 -13.699 29.451 -8.689 248 HD3 ARG 37 HD2 ARG 37 -13.385 30.859 -9.703 249 HE ARG 37 HE ARG 37 -15.785 31.454 -8.695 250 HH11 ARG 37 HH11 ARG 37 -12.883 30.275 -7.175 251 HH12 ARG 37 HH12 ARG 37 -13.205 31.051 -5.660 252 HH21 ARG 37 HH21 ARG 37 -16.220 32.480 -6.705 253 HH22 ARG 37 HH22 ARG 37 -15.104 32.305 -5.393 254 H ASN 38 HN ASN 38 -13.000 25.797 -11.901 255 HA ASN 38 HA ASN 38 -14.850 23.601 -11.362 256 HB2 ASN 38 HB1 ASN 38 -14.187 24.583 -13.717 257 HB3 ASN 38 HB2 ASN 38 -12.803 23.509 -13.541 258 HD21 ASN 38 HD21 ASN 38 -15.997 21.992 -15.087 259 HD22 ASN 38 HD22 ASN 38 -15.410 23.614 -15.188 260 H CYS 39 HN CYS 39 -11.409 24.350 -11.349 261 HA CYS 39 HA CYS 39 -10.921 21.769 -10.011 262 HB2 CYS 39 HB1 CYS 39 -8.458 22.439 -10.907 263 HB3 CYS 39 HB2 CYS 39 -9.580 21.425 -11.808 264 H GLY 40 HN GLY 40 -10.196 25.209 -10.124 265 HA2 GLY 40 HA2 GLY 40 -9.935 26.486 -8.125 266 HA3 GLY 40 HA1 GLY 40 -9.346 25.042 -7.316 267 H GLN 41 HN GLN 41 -8.143 25.760 -10.472 268 HA GLN 41 HA GLN 41 -5.538 26.403 -9.283 269 HB2 GLN 41 HB1 GLN 41 -6.061 25.610 -12.144 270 HB3 GLN 41 HB2 GLN 41 -4.527 25.599 -11.284 271 HG2 GLN 41 HG1 GLN 41 -6.108 23.927 -9.775 272 HG3 GLN 41 HG2 GLN 41 -6.599 23.573 -11.430 273 HE21 GLN 41 HE21 GLN 41 -3.323 21.928 -10.020 274 HE22 GLN 41 HE22 GLN 41 -4.620 22.586 -9.087 275 H LEU 42 HN LEU 42 -4.250 28.091 -10.154 276 HA LEU 42 HA LEU 42 -5.852 30.302 -11.195 277 HB2 LEU 42 HB1 LEU 42 -3.501 30.036 -9.498 278 HB3 LEU 42 HB2 LEU 42 -3.310 31.269 -10.743 279 HG LEU 42 HG LEU 42 -5.620 31.195 -8.809 280 HD11 LEU 42 HD11 LEU 42 -2.952 32.564 -8.627 281 HD12 LEU 42 HD12 LEU 42 -3.734 31.519 -7.441 282 HD13 LEU 42 HD13 LEU 42 -4.373 33.134 -7.752 283 HD21 LEU 42 HD21 LEU 42 -4.912 32.806 -11.120 284 HD22 LEU 42 HD22 LEU 42 -5.169 33.779 -9.671 285 HD23 LEU 42 HD23 LEU 42 -6.438 32.694 -10.242 286 H PHE 43 HN PHE 43 -5.697 31.011 -13.222 287 HA PHE 43 HA PHE 43 -3.343 30.246 -14.810 288 HB2 PHE 43 HB1 PHE 43 -6.225 30.133 -15.727 289 HB3 PHE 43 HB2 PHE 43 -4.821 29.853 -16.753 290 HD1 PHE 43 HD1 PHE 43 -3.225 27.953 -16.017 291 HD2 PHE 43 HD2 PHE 43 -7.237 28.357 -14.656 292 HE1 PHE 43 HE1 PHE 43 -3.256 25.568 -15.411 293 HE2 PHE 43 HE2 PHE 43 -7.275 25.974 -14.047 294 HZ PHE 43 HZ PHE 43 -5.283 24.576 -14.424 295 H CYS 44 HN CYS 44 -3.157 31.562 -16.840 296 HA CYS 44 HA CYS 44 -3.690 34.357 -16.185 297 HB2 CYS 44 HB1 CYS 44 -2.056 34.871 -17.944 298 HB3 CYS 44 HB2 CYS 44 -1.390 33.741 -16.769 299 H GLN 45 HN GLN 45 -4.374 35.835 -17.914 300 HA GLN 45 HA GLN 45 -6.787 35.070 -19.073 301 HB2 GLN 45 HB1 GLN 45 -6.779 37.192 -20.191 302 HB3 GLN 45 HB2 GLN 45 -6.066 37.415 -18.598 303 HG2 GLN 45 HG1 GLN 45 -3.853 37.454 -19.540 304 HG3 GLN 45 HG2 GLN 45 -4.491 37.075 -21.139 305 HE21 GLN 45 HE21 GLN 45 -3.968 40.822 -20.242 306 HE22 GLN 45 HE22 GLN 45 -3.119 39.454 -19.614 307 H LYS 46 HN LYS 46 -3.574 34.578 -20.153 308 HA LYS 46 HA LYS 46 -4.331 34.170 -22.929 309 HB2 LYS 46 HB1 LYS 46 -1.982 34.933 -21.691 310 HB3 LYS 46 HB2 LYS 46 -1.667 33.261 -22.136 311 HG2 LYS 46 HG1 LYS 46 -2.821 35.120 -24.161 312 HG3 LYS 46 HG2 LYS 46 -1.099 35.198 -23.782 313 HD2 LYS 46 HD1 LYS 46 -0.685 33.369 -24.984 314 HD3 LYS 46 HD2 LYS 46 -1.948 32.465 -24.144 315 HE2 LYS 46 HE1 LYS 46 -2.455 32.514 -26.494 316 HE3 LYS 46 HE2 LYS 46 -3.624 33.517 -25.637 317 HZ1 LYS 46 HZ1 LYS 46 -1.616 35.241 -26.292 318 HZ2 LYS 46 HZ2 LYS 46 -3.097 35.091 -27.094 319 HZ3 LYS 46 HZ3 LYS 46 -1.741 34.251 -27.658 320 H CYS 47 HN CYS 47 -4.130 32.360 -20.054 321 HA CYS 47 HA CYS 47 -3.671 29.810 -21.342 322 HB2 CYS 47 HB1 CYS 47 -3.542 30.820 -18.682 323 HB3 CYS 47 HB2 CYS 47 -4.699 29.493 -18.698 324 H SER 48 HN SER 48 -6.371 31.396 -19.651 325 HA SER 48 HA SER 48 -8.197 29.321 -20.573 326 HB2 SER 48 HB1 SER 48 -8.938 29.779 -18.478 327 HB3 SER 48 HB2 SER 48 -8.227 31.393 -18.473 328 HG SER 48 HG SER 48 -10.658 30.591 -19.697 329 H ARG 49 HN ARG 49 -7.602 32.776 -20.990 330 HA ARG 49 HA ARG 49 -8.647 34.331 -22.337 331 HB2 ARG 49 HB1 ARG 49 -8.477 33.638 -24.760 332 HB3 ARG 49 HB2 ARG 49 -6.991 33.507 -23.829 333 HG2 ARG 49 HG1 ARG 49 -7.462 31.082 -23.538 334 HG3 ARG 49 HG2 ARG 49 -8.834 31.269 -24.632 335 HD2 ARG 49 HD1 ARG 49 -6.666 32.459 -25.936 336 HD3 ARG 49 HD2 ARG 49 -6.033 30.971 -25.235 337 HE ARG 49 HE ARG 49 -8.514 30.568 -26.593 338 HH11 ARG 49 HH11 ARG 49 -5.078 30.898 -27.040 339 HH12 ARG 49 HH12 ARG 49 -5.052 29.994 -28.518 340 HH21 ARG 49 HH21 ARG 49 -8.493 29.377 -28.538 341 HH22 ARG 49 HH22 ARG 49 -6.995 29.131 -29.370 342 H PHE 50 HN PHE 50 -10.507 32.445 -21.034 343 HA PHE 50 HA PHE 50 -12.774 32.889 -22.829 344 HB2 PHE 50 HB1 PHE 50 -12.089 30.248 -21.530 345 HB3 PHE 50 HB2 PHE 50 -13.669 30.615 -22.215 346 HD1 PHE 50 HD1 PHE 50 -13.042 32.011 -24.669 347 HD2 PHE 50 HD2 PHE 50 -11.106 28.667 -22.884 348 HE1 PHE 50 HE1 PHE 50 -12.249 31.291 -26.884 349 HE2 PHE 50 HE2 PHE 50 -10.309 27.943 -25.096 350 HZ PHE 50 HZ PHE 50 -10.880 29.256 -27.100 351 H GLN 51 HN GLN 51 -14.883 32.301 -21.576 352 HA GLN 51 HA GLN 51 -14.758 32.657 -18.722 353 HB2 GLN 51 HB1 GLN 51 -15.387 34.910 -20.545 354 HB3 GLN 51 HB2 GLN 51 -16.421 34.726 -19.134 355 HG2 GLN 51 HG1 GLN 51 -14.117 34.545 -17.882 356 HG3 GLN 51 HG2 GLN 51 -13.537 35.418 -19.300 357 HE21 GLN 51 HE21 GLN 51 -14.852 38.475 -18.348 358 HE22 GLN 51 HE22 GLN 51 -13.969 37.544 -19.505 359 H SER 52 HN SER 52 -16.410 31.613 -17.819 360 HA SER 52 HA SER 52 -19.066 31.658 -18.745 361 HB2 SER 52 HB1 SER 52 -18.240 30.262 -20.567 362 HB3 SER 52 HB2 SER 52 -17.521 29.141 -19.412 363 HG SER 52 HG SER 52 -19.378 28.178 -19.436 364 H GLU 53 HN GLU 53 -20.425 29.957 -17.600 365 HA GLU 53 HA GLU 53 -19.580 29.872 -14.842 366 HB2 GLU 53 HB1 GLU 53 -21.843 28.944 -14.434 367 HB3 GLU 53 HB2 GLU 53 -21.873 30.468 -15.310 368 HG2 GLU 53 HG1 GLU 53 -23.458 29.129 -16.375 369 HG3 GLU 53 HG2 GLU 53 -22.043 29.076 -17.425 370 H ILE 54 HN ILE 54 -20.411 27.695 -13.690 371 HA ILE 54 HA ILE 54 -19.431 25.373 -15.183 372 HB ILE 54 HB ILE 54 -18.444 26.104 -12.423 373 HG12 ILE 54 HG11 ILE 54 -16.835 25.892 -14.968 374 HG13 ILE 54 HG12 ILE 54 -17.505 27.415 -14.392 375 HG21 ILE 54 HG21 ILE 54 -18.244 23.657 -14.095 376 HG22 ILE 54 HG22 ILE 54 -16.845 24.120 -13.127 377 HG23 ILE 54 HG23 ILE 54 -18.398 23.825 -12.346 378 HD11 ILE 54 HD11 ILE 54 -15.040 26.380 -13.766 379 HD12 ILE 54 HD12 ILE 54 -15.875 27.674 -12.907 380 HD13 ILE 54 HD13 ILE 54 -16.010 26.009 -12.341 381 H LYS 55 HN LYS 55 -21.630 24.726 -15.228 382 HA LYS 55 HA LYS 55 -23.290 24.468 -12.989 383 HB2 LYS 55 HB1 LYS 55 -23.273 23.522 -15.759 384 HB3 LYS 55 HB2 LYS 55 -24.074 22.413 -14.654 385 HG2 LYS 55 HG1 LYS 55 -24.729 25.331 -15.008 386 HG3 LYS 55 HG2 LYS 55 -25.653 23.971 -15.649 387 HD2 LYS 55 HD1 LYS 55 -26.810 23.920 -13.751 388 HD3 LYS 55 HD2 LYS 55 -25.327 23.483 -12.897 389 HE2 LYS 55 HE1 LYS 55 -25.055 25.554 -12.053 390 HE3 LYS 55 HE2 LYS 55 -25.614 26.341 -13.528 391 HZ1 LYS 55 HZ1 LYS 55 -27.401 26.817 -12.293 392 HZ2 LYS 55 HZ2 LYS 55 -27.093 25.601 -11.159 393 HZ3 LYS 55 HZ3 LYS 55 -27.872 25.224 -12.613 394 H ARG 56 HN ARG 56 -20.695 22.477 -14.166 395 HA ARG 56 HA ARG 56 -21.304 20.058 -12.906 396 HB2 ARG 56 HB1 ARG 56 -19.506 20.363 -14.586 397 HB3 ARG 56 HB2 ARG 56 -18.564 21.241 -13.388 398 HG2 ARG 56 HG1 ARG 56 -18.913 19.043 -11.987 399 HG3 ARG 56 HG2 ARG 56 -19.153 18.336 -13.586 400 HD2 ARG 56 HD1 ARG 56 -16.968 18.376 -14.002 401 HD3 ARG 56 HD2 ARG 56 -16.867 20.085 -13.581 402 HE ARG 56 HE ARG 56 -16.017 19.488 -11.547 403 HH11 ARG 56 HH11 ARG 56 -17.566 16.718 -12.978 404 HH12 ARG 56 HH12 ARG 56 -17.026 15.619 -11.752 405 HH21 ARG 56 HH21 ARG 56 -15.301 18.052 -9.926 406 HH22 ARG 56 HH22 ARG 56 -15.739 16.379 -10.016 407 H LEU 57 HN LEU 57 -20.035 23.040 -11.644 408 HA LEU 57 HA LEU 57 -19.608 21.767 -9.026 409 HB2 LEU 57 HB1 LEU 57 -18.420 24.142 -10.374 410 HB3 LEU 57 HB2 LEU 57 -18.525 24.133 -8.614 411 HG LEU 57 HG LEU 57 -16.340 23.404 -9.236 412 HD11 LEU 57 HD11 LEU 57 -16.213 21.324 -8.112 413 HD12 LEU 57 HD12 LEU 57 -17.871 20.908 -8.546 414 HD13 LEU 57 HD13 LEU 57 -17.561 22.204 -7.391 415 HD21 LEU 57 HD21 LEU 57 -17.761 21.460 -11.045 416 HD22 LEU 57 HD22 LEU 57 -16.050 21.343 -10.633 417 HD23 LEU 57 HD23 LEU 57 -16.654 22.753 -11.506 418 H LYS 58 HN LYS 58 -22.135 22.834 -10.405 419 HA LYS 58 HA LYS 58 -24.106 23.712 -9.668 420 HB2 LYS 58 HB1 LYS 58 -22.822 24.366 -7.028 421 HB3 LYS 58 HB2 LYS 58 -24.506 23.987 -7.365 422 HG2 LYS 58 HG1 LYS 58 -23.386 21.686 -8.139 423 HG3 LYS 58 HG2 LYS 58 -22.205 22.191 -6.929 424 HD2 LYS 58 HD1 LYS 58 -23.914 22.343 -5.245 425 HD3 LYS 58 HD2 LYS 58 -25.178 22.042 -6.440 426 HE2 LYS 58 HE1 LYS 58 -22.981 20.092 -5.759 427 HE3 LYS 58 HE2 LYS 58 -24.591 20.061 -5.041 428 HZ1 LYS 58 HZ1 LYS 58 -24.710 18.552 -6.784 429 HZ2 LYS 58 HZ2 LYS 58 -23.814 19.524 -7.839 430 HZ3 LYS 58 HZ3 LYS 58 -25.403 19.948 -7.442 431 H ILE 59 HN ILE 59 -21.851 25.301 -10.807 432 HA ILE 59 HA ILE 59 -22.471 27.955 -9.714 433 HB ILE 59 HB ILE 59 -20.275 27.159 -11.630 434 HG12 ILE 59 HG11 ILE 59 -20.169 27.811 -8.676 435 HG13 ILE 59 HG12 ILE 59 -19.946 26.216 -9.386 436 HG21 ILE 59 HG21 ILE 59 -19.926 29.321 -11.986 437 HG22 ILE 59 HG22 ILE 59 -21.396 29.675 -11.080 438 HG23 ILE 59 HG23 ILE 59 -19.840 29.629 -10.251 439 HD11 ILE 59 HD11 ILE 59 -17.779 26.828 -9.082 440 HD12 ILE 59 HD12 ILE 59 -18.038 27.457 -10.710 441 HD13 ILE 59 HD13 ILE 59 -18.111 28.543 -9.323 442 H SER 60 HN SER 60 -24.131 28.911 -10.686 443 HA SER 60 HA SER 60 -24.664 28.393 -13.511 444 HB2 SER 60 HB1 SER 60 -26.476 30.239 -12.141 445 HB3 SER 60 HB2 SER 60 -26.836 28.759 -13.030 446 HG SER 60 HG SER 60 -26.610 29.156 -10.352 447 H SER 61 HN SER 61 -23.221 30.735 -11.507 448 HA SER 61 HA SER 61 -23.663 32.952 -13.325 449 HB2 SER 61 HB1 SER 61 -21.842 33.937 -11.623 450 HB3 SER 61 HB2 SER 61 -23.556 33.845 -11.220 451 HG SER 61 HG SER 61 -21.424 32.453 -10.184 452 HA PRO 62 HA PRO 62 -20.066 32.447 -15.789 453 HB2 PRO 62 HB1 PRO 62 -19.441 35.035 -16.320 454 HB3 PRO 62 HB2 PRO 62 -20.830 34.214 -17.043 455 HG2 PRO 62 HG1 PRO 62 -20.739 36.082 -14.705 456 HG3 PRO 62 HG2 PRO 62 -21.901 36.020 -16.043 457 HD2 PRO 62 HD1 PRO 62 -22.434 34.977 -13.602 458 HD3 PRO 62 HD2 PRO 62 -23.087 34.283 -15.100 459 H VAL 63 HN VAL 63 -18.114 31.844 -15.114 460 HA VAL 63 HA VAL 63 -16.553 33.682 -13.442 461 HB VAL 63 HB VAL 63 -15.723 31.797 -12.085 462 HG11 VAL 63 HG11 VAL 63 -18.456 31.371 -11.414 463 HG12 VAL 63 HG12 VAL 63 -17.274 32.415 -10.622 464 HG13 VAL 63 HG13 VAL 63 -18.263 33.043 -11.942 465 HG21 VAL 63 HG21 VAL 63 -17.776 30.243 -13.644 466 HG22 VAL 63 HG22 VAL 63 -16.044 29.933 -13.522 467 HG23 VAL 63 HG23 VAL 63 -17.086 29.679 -12.122 468 H ARG 64 HN ARG 64 -14.226 32.584 -13.188 469 HA ARG 64 HA ARG 64 -13.200 32.434 -15.869 470 HB2 ARG 64 HB1 ARG 64 -11.496 31.868 -13.484 471 HB3 ARG 64 HB2 ARG 64 -11.111 32.766 -14.946 472 HG2 ARG 64 HG1 ARG 64 -12.805 33.696 -12.640 473 HG3 ARG 64 HG2 ARG 64 -11.206 34.284 -13.098 474 HD2 ARG 64 HD1 ARG 64 -12.166 35.805 -14.398 475 HD3 ARG 64 HD2 ARG 64 -12.843 34.506 -15.381 476 HE ARG 64 HE ARG 64 -14.882 34.979 -14.484 477 HH11 ARG 64 HH11 ARG 64 -12.424 36.209 -12.347 478 HH12 ARG 64 HH12 ARG 64 -13.552 36.966 -11.273 479 HH21 ARG 64 HH21 ARG 64 -16.378 35.972 -13.077 480 HH22 ARG 64 HH22 ARG 64 -15.801 36.830 -11.688 481 H VAL 65 HN VAL 65 -12.495 30.687 -16.965 482 HA VAL 65 HA VAL 65 -12.202 28.132 -15.575 483 HB VAL 65 HB VAL 65 -13.527 26.964 -17.325 484 HG11 VAL 65 HG11 VAL 65 -15.489 28.835 -16.174 485 HG12 VAL 65 HG12 VAL 65 -15.394 27.076 -16.065 486 HG13 VAL 65 HG13 VAL 65 -14.384 28.081 -15.025 487 HG21 VAL 65 HG21 VAL 65 -14.479 29.730 -18.058 488 HG22 VAL 65 HG22 VAL 65 -13.380 28.751 -19.030 489 HG23 VAL 65 HG23 VAL 65 -15.034 28.205 -18.749 490 H CYS 66 HN CYS 66 -10.622 26.868 -16.395 491 HA CYS 66 HA CYS 66 -8.818 27.980 -18.289 492 HB2 CYS 66 HB1 CYS 66 -7.642 25.775 -18.068 493 HB3 CYS 66 HB2 CYS 66 -7.941 26.591 -16.536 494 H GLN 67 HN GLN 67 -8.252 27.215 -20.354 495 HA GLN 67 HA GLN 67 -10.316 26.671 -22.101 496 HB2 GLN 67 HB1 GLN 67 -8.318 27.492 -23.035 497 HB3 GLN 67 HB2 GLN 67 -7.350 26.220 -22.302 498 HG2 GLN 67 HG1 GLN 67 -8.334 24.581 -23.798 499 HG3 GLN 67 HG2 GLN 67 -9.358 25.827 -24.510 500 HE21 GLN 67 HE21 GLN 67 -6.122 25.132 -26.409 501 HE22 GLN 67 HE22 GLN 67 -7.207 24.055 -25.605 502 H ASN 68 HN ASN 68 -8.440 24.469 -20.167 503 HA ASN 68 HA ASN 68 -9.112 22.090 -21.567 504 HB2 ASN 68 HB1 ASN 68 -7.483 22.785 -19.376 505 HB3 ASN 68 HB2 ASN 68 -8.647 21.615 -18.762 506 HD21 ASN 68 HD21 ASN 68 -7.232 18.887 -20.355 507 HD22 ASN 68 HD22 ASN 68 -8.490 19.516 -19.353 508 H CYS 69 HN CYS 69 -10.621 23.915 -18.981 509 HA CYS 69 HA CYS 69 -12.635 21.872 -18.532 510 HB2 CYS 69 HB1 CYS 69 -11.960 24.502 -17.269 511 HB3 CYS 69 HB2 CYS 69 -13.560 23.811 -17.020 512 H TYR 70 HN TYR 70 -12.530 25.235 -19.687 513 HA TYR 70 HA TYR 70 -15.189 25.634 -20.254 514 HB2 TYR 70 HB1 TYR 70 -13.486 27.386 -20.470 515 HB3 TYR 70 HB2 TYR 70 -12.819 26.575 -21.883 516 HD1 TYR 70 HD1 TYR 70 -14.087 26.535 -24.002 517 HD2 TYR 70 HD2 TYR 70 -15.459 28.734 -20.628 518 HE1 TYR 70 HE1 TYR 70 -15.620 27.796 -25.455 519 HE2 TYR 70 HE2 TYR 70 -16.996 30.000 -22.071 520 HH TYR 70 HH TYR 70 -17.897 29.082 -25.053 521 H TYR 71 HN TYR 71 -12.784 23.907 -22.164 522 HA TYR 71 HA TYR 71 -14.248 23.574 -24.517 523 HB2 TYR 71 HB1 TYR 71 -11.829 22.530 -23.379 524 HB3 TYR 71 HB2 TYR 71 -12.742 21.213 -24.106 525 HD1 TYR 71 HD1 TYR 71 -10.369 23.707 -24.723 526 HD2 TYR 71 HD2 TYR 71 -13.705 21.774 -26.522 527 HE1 TYR 71 HE1 TYR 71 -9.551 24.376 -26.944 528 HE2 TYR 71 HE2 TYR 71 -12.896 22.437 -28.748 529 HH TYR 71 HH TYR 71 -10.962 24.734 -29.392 530 H ASN 72 HN ASN 72 -14.267 21.736 -21.512 531 HA ASN 72 HA ASN 72 -16.116 19.771 -22.563 532 HB2 ASN 72 HB1 ASN 72 -14.322 19.929 -20.347 533 HB3 ASN 72 HB2 ASN 72 -15.939 19.612 -19.725 534 HD21 ASN 72 HD21 ASN 72 -13.815 16.698 -21.409 535 HD22 ASN 72 HD22 ASN 72 -13.186 18.257 -21.013 536 H LEU 73 HN LEU 73 -16.226 22.740 -20.790 537 HA LEU 73 HA LEU 73 -18.779 22.405 -19.599 538 HB2 LEU 73 HB1 LEU 73 -17.056 24.776 -20.220 539 HB3 LEU 73 HB2 LEU 73 -18.686 24.984 -19.583 540 HG LEU 73 HG LEU 73 -16.506 23.432 -18.193 541 HD11 LEU 73 HD11 LEU 73 -17.323 25.895 -16.928 542 HD12 LEU 73 HD12 LEU 73 -16.648 26.186 -18.531 543 HD13 LEU 73 HD13 LEU 73 -15.706 25.312 -17.323 544 HD21 LEU 73 HD21 LEU 73 -18.701 22.706 -17.538 545 HD22 LEU 73 HD22 LEU 73 -19.236 24.373 -17.325 546 HD23 LEU 73 HD23 LEU 73 -18.020 23.691 -16.244 547 H GLN 74 HN GLN 74 -17.680 23.730 -22.676 548 HA GLN 74 HA GLN 74 -20.360 24.510 -23.445 549 HB2 GLN 74 HB1 GLN 74 -19.293 25.187 -25.573 550 HB3 GLN 74 HB2 GLN 74 -18.523 25.910 -24.168 551 HG2 GLN 74 HG1 GLN 74 -16.565 24.958 -24.617 552 HG3 GLN 74 HG2 GLN 74 -17.304 23.390 -24.938 553 HE21 GLN 74 HE21 GLN 74 -17.239 26.006 -28.085 554 HE22 GLN 74 HE22 GLN 74 -17.705 26.537 -26.509 555 H HIS 75 HN HIS 75 -18.279 21.784 -23.779 556 HA HIS 75 HA HIS 75 -19.614 20.667 -26.070 557 HB2 HIS 75 HB1 HIS 75 -17.221 20.203 -25.493 558 HB3 HIS 75 HB2 HIS 75 -17.783 19.278 -24.104 559 HD1 HIS 75 HD1 HIS 75 -17.750 19.197 -27.868 560 HD2 HIS 75 HD2 HIS 75 -18.631 16.710 -24.659 561 HE1 HIS 75 HE1 HIS 75 -18.054 16.905 -28.858 562 H GLU 76 HN GLU 76 -20.029 20.599 -22.636 563 HA GLU 76 HA GLU 76 -21.539 18.197 -22.472 564 HB2 GLU 76 HB1 GLU 76 -22.017 18.818 -20.237 565 HB3 GLU 76 HB2 GLU 76 -20.390 19.401 -20.559 566 HG2 GLU 76 HG1 GLU 76 -21.090 21.337 -19.729 567 HG3 GLU 76 HG2 GLU 76 -21.938 21.548 -21.260 568 H ARG 77 HN ARG 77 -22.277 21.420 -23.445 569 HA ARG 77 HA ARG 77 -25.056 21.430 -22.941 570 HB2 ARG 77 HB1 ARG 77 -23.512 22.906 -25.082 571 HB3 ARG 77 HB2 ARG 77 -25.144 23.282 -24.547 572 HG2 ARG 77 HG1 ARG 77 -23.318 23.215 -22.318 573 HG3 ARG 77 HG2 ARG 77 -22.766 24.334 -23.567 574 HD2 ARG 77 HD1 ARG 77 -24.707 25.623 -23.436 575 HD3 ARG 77 HD2 ARG 77 -25.614 24.341 -22.634 576 HE ARG 77 HE ARG 77 -24.811 25.083 -20.625 577 HH11 ARG 77 HH11 ARG 77 -22.874 26.425 -23.188 578 HH12 ARG 77 HH12 ARG 77 -21.981 27.476 -22.139 579 HH21 ARG 77 HH21 ARG 77 -23.642 26.462 -19.234 580 HH22 ARG 77 HH22 ARG 77 -22.418 27.495 -19.890 581 H GLY 78 HN GLY 78 -23.108 20.216 -25.599 582 HA2 GLY 78 HA2 GLY 78 -25.292 19.764 -27.382 583 HA3 GLY 78 HA1 GLY 78 -23.675 19.092 -27.528 Start of MODEL 3 1 H1 SER 1 HN SER 1 -2.179 4.916 -26.103 2 HA SER 1 HA SER 1 -1.541 2.965 -24.898 3 HB2 SER 1 HB1 SER 1 -1.719 1.705 -27.178 4 HB3 SER 1 HB2 SER 1 0.017 2.002 -27.279 5 HG SER 1 HG SER 1 0.303 0.851 -25.389 6 H ASN 2 HN ASN 2 -0.435 5.559 -25.124 7 HA ASN 2 HA ASN 2 2.461 5.123 -25.122 8 HB2 ASN 2 HB1 ASN 2 1.057 7.771 -24.787 9 HB3 ASN 2 HB2 ASN 2 2.713 7.474 -25.308 10 HD21 ASN 2 HD21 ASN 2 1.471 6.167 -28.526 11 HD22 ASN 2 HD22 ASN 2 2.374 5.536 -27.195 12 H ALA 3 HN ALA 3 3.419 6.922 -23.402 13 HA ALA 3 HA ALA 3 2.083 6.684 -20.836 14 HB1 ALA 3 HB1 ALA 3 4.723 5.871 -20.284 15 HB2 ALA 3 HB2 ALA 3 3.236 4.940 -20.097 16 HB3 ALA 3 HB3 ALA 3 4.142 4.860 -21.607 17 H GLY 4 HN GLY 4 5.464 7.258 -21.807 18 HA2 GLY 4 HA2 GLY 4 6.567 9.331 -21.944 19 HA3 GLY 4 HA1 GLY 4 5.166 10.100 -21.212 20 H ARG 5 HN ARG 5 7.626 10.818 -20.342 21 HA ARG 5 HA ARG 5 7.470 10.292 -17.566 22 HB2 ARG 5 HB1 ARG 5 9.205 8.562 -19.160 23 HB3 ARG 5 HB2 ARG 5 10.064 9.388 -17.867 24 HG2 ARG 5 HG1 ARG 5 7.617 8.377 -16.825 25 HG3 ARG 5 HG2 ARG 5 8.439 7.087 -17.706 26 HD2 ARG 5 HD1 ARG 5 9.561 8.769 -15.471 27 HD3 ARG 5 HD2 ARG 5 9.161 7.053 -15.411 28 HE ARG 5 HE ARG 5 10.980 7.159 -17.391 29 HH11 ARG 5 HH11 ARG 5 10.955 8.422 -14.147 30 HH12 ARG 5 HH12 ARG 5 12.672 8.302 -13.948 31 HH21 ARG 5 HH21 ARG 5 13.241 6.995 -17.141 32 HH22 ARG 5 HH22 ARG 5 13.971 7.491 -15.651 33 H SER 6 HN SER 6 8.677 11.739 -16.371 34 HA SER 6 HA SER 6 9.825 13.652 -15.931 35 HB2 SER 6 HB1 SER 6 11.533 12.086 -17.455 36 HB3 SER 6 HB2 SER 6 11.566 13.647 -18.275 37 HG SER 6 HG SER 6 13.064 13.206 -16.393 38 H ALA 7 HN ALA 7 10.578 15.805 -17.013 39 HA ALA 7 HA ALA 7 8.746 16.504 -19.206 40 HB1 ALA 7 HB1 ALA 7 8.679 17.470 -16.482 41 HB2 ALA 7 HB2 ALA 7 8.886 18.789 -17.634 42 HB3 ALA 7 HB3 ALA 7 7.513 17.692 -17.787 43 H ALA 8 HN ALA 8 9.298 18.784 -20.048 44 HA ALA 8 HA ALA 8 12.160 18.809 -20.588 45 HB1 ALA 8 HB1 ALA 8 10.487 20.840 -21.885 46 HB2 ALA 8 HB2 ALA 8 11.655 19.715 -22.579 47 HB3 ALA 8 HB3 ALA 8 10.017 19.172 -22.215 48 H ASP 9 HN ASP 9 9.897 20.433 -18.629 49 HA ASP 9 HA ASP 9 11.889 22.091 -17.466 50 HB2 ASP 9 HB1 ASP 9 11.047 23.241 -19.711 51 HB3 ASP 9 HB2 ASP 9 9.727 23.759 -18.665 52 H HIS 10 HN HIS 10 11.369 22.057 -15.391 53 HA HIS 10 HA HIS 10 8.860 22.914 -14.398 54 HB2 HIS 10 HB1 HIS 10 8.471 20.482 -15.260 55 HB3 HIS 10 HB2 HIS 10 9.343 20.012 -13.804 56 HD1 HIS 10 HD1 HIS 10 6.504 22.467 -14.486 57 HD2 HIS 10 HD2 HIS 10 7.560 19.408 -11.881 58 HE1 HIS 10 HE1 HIS 10 4.588 22.270 -12.869 59 H TRP 11 HN TRP 11 10.449 24.221 -13.315 60 HA TRP 11 HA TRP 11 11.885 22.830 -11.156 61 HB2 TRP 11 HB1 TRP 11 12.840 24.660 -12.981 62 HB3 TRP 11 HB2 TRP 11 12.528 25.659 -11.565 63 HD1 TRP 11 HD1 TRP 11 13.476 23.940 -9.213 64 HE1 TRP 11 HE1 TRP 11 15.935 23.225 -8.955 65 HE3 TRP 11 HE3 TRP 11 14.982 24.447 -14.072 66 HZ2 TRP 11 HZ2 TRP 11 18.212 22.918 -10.595 67 HZ3 TRP 11 HZ3 TRP 11 17.317 23.923 -14.644 68 HH2 TRP 11 HH2 TRP 11 18.897 23.175 -12.940 69 H VAL 12 HN VAL 12 9.026 23.556 -11.169 70 HA VAL 12 HA VAL 12 9.030 25.048 -8.652 71 HB VAL 12 HB VAL 12 6.914 25.701 -10.669 72 HG11 VAL 12 HG11 VAL 12 6.556 27.613 -9.349 73 HG12 VAL 12 HG12 VAL 12 6.815 26.302 -8.195 74 HG13 VAL 12 HG13 VAL 12 8.113 27.447 -8.538 75 HG21 VAL 12 HG21 VAL 12 8.782 26.263 -11.956 76 HG22 VAL 12 HG22 VAL 12 8.346 27.775 -11.159 77 HG23 VAL 12 HG23 VAL 12 9.697 26.818 -10.554 78 H LYS 13 HN LYS 13 7.698 24.196 -7.173 79 HA LYS 13 HA LYS 13 5.554 22.397 -8.073 80 HB2 LYS 13 HB1 LYS 13 7.656 21.174 -7.300 81 HB3 LYS 13 HB2 LYS 13 7.300 21.788 -5.691 82 HG2 LYS 13 HG1 LYS 13 5.377 20.504 -5.488 83 HG3 LYS 13 HG2 LYS 13 5.240 20.258 -7.231 84 HD2 LYS 13 HD1 LYS 13 7.103 18.762 -7.236 85 HD3 LYS 13 HD2 LYS 13 7.489 19.149 -5.558 86 HE2 LYS 13 HE1 LYS 13 6.375 16.999 -5.691 87 HE3 LYS 13 HE2 LYS 13 5.352 18.166 -4.855 88 HZ1 LYS 13 HZ1 LYS 13 5.040 17.713 -7.751 89 HZ2 LYS 13 HZ2 LYS 13 3.913 18.311 -6.640 90 HZ3 LYS 13 HZ3 LYS 13 4.311 16.666 -6.639 91 H ASP 14 HN ASP 14 5.540 25.169 -7.133 92 HA ASP 14 HA ASP 14 3.724 24.797 -4.854 93 HB2 ASP 14 HB1 ASP 14 6.052 26.670 -5.063 94 HB3 ASP 14 HB2 ASP 14 4.636 27.153 -4.134 95 H GLU 15 HN GLU 15 3.369 25.189 -7.778 96 HA GLU 15 HA GLU 15 2.502 27.823 -8.303 97 HB2 GLU 15 HB1 GLU 15 1.229 26.738 -10.195 98 HB3 GLU 15 HB2 GLU 15 2.957 26.418 -10.164 99 HG2 GLU 15 HG1 GLU 15 2.680 24.221 -9.823 100 HG3 GLU 15 HG2 GLU 15 1.311 24.454 -8.738 101 H GLY 16 HN GLY 16 1.186 28.559 -6.642 102 HA2 GLY 16 HA2 GLY 16 -1.573 28.170 -6.922 103 HA3 GLY 16 HA1 GLY 16 -1.024 27.166 -5.588 104 H GLY 17 HN GLY 17 -0.839 30.509 -6.799 105 HA2 GLY 17 HA2 GLY 17 -1.750 31.612 -4.353 106 HA3 GLY 17 HA1 GLY 17 0.001 31.732 -4.444 107 H ASP 18 HN ASP 18 0.633 32.445 -6.875 108 HA ASP 18 HA ASP 18 -1.125 34.464 -7.944 109 HB2 ASP 18 HB1 ASP 18 1.378 35.202 -6.436 110 HB3 ASP 18 HB2 ASP 18 0.694 36.254 -7.672 111 H SER 19 HN SER 19 -0.009 32.124 -9.023 112 HA SER 19 HA SER 19 1.413 33.267 -11.285 113 HB2 SER 19 HB1 SER 19 2.567 30.850 -9.887 114 HB3 SER 19 HB2 SER 19 3.276 31.773 -11.212 115 HG SER 19 HG SER 19 3.167 32.349 -8.492 116 H CYS 20 HN CYS 20 0.950 32.264 -13.178 117 HA CYS 20 HA CYS 20 -1.299 30.707 -13.466 118 HB2 CYS 20 HB1 CYS 20 -0.112 31.942 -15.292 119 HB3 CYS 20 HB2 CYS 20 1.087 30.653 -15.322 120 H SER 21 HN SER 21 -1.621 28.490 -14.036 121 HA SER 21 HA SER 21 0.258 26.715 -12.655 122 HB2 SER 21 HB1 SER 21 -2.638 26.795 -12.970 123 HB3 SER 21 HB2 SER 21 -1.972 25.204 -13.340 124 HG SER 21 HG SER 21 -1.473 26.691 -10.972 125 H GLY 22 HN GLY 22 -1.158 27.366 -15.775 126 HA2 GLY 22 HA2 GLY 22 0.054 24.950 -16.911 127 HA3 GLY 22 HA1 GLY 22 -1.083 26.015 -17.724 128 H CYS 23 HN CYS 23 0.976 28.076 -16.311 129 HA CYS 23 HA CYS 23 2.982 27.954 -18.453 130 HB2 CYS 23 HB1 CYS 23 1.371 30.384 -17.652 131 HB3 CYS 23 HB2 CYS 23 2.801 30.444 -18.677 132 H SER 24 HN SER 24 2.079 28.839 -15.224 133 HA SER 24 HA SER 24 3.332 29.185 -13.350 134 HB2 SER 24 HB1 SER 24 5.927 28.913 -14.792 135 HB3 SER 24 HB2 SER 24 5.440 28.277 -13.221 136 HG SER 24 HG SER 24 5.317 26.492 -14.367 137 H VAL 25 HN VAL 25 3.000 31.159 -15.779 138 HA VAL 25 HA VAL 25 5.083 33.076 -15.427 139 HB VAL 25 HB VAL 25 3.946 33.106 -17.515 140 HG11 VAL 25 HG11 VAL 25 1.848 32.327 -17.497 141 HG12 VAL 25 HG12 VAL 25 1.564 32.863 -15.839 142 HG13 VAL 25 HG13 VAL 25 1.382 33.997 -17.178 143 HG21 VAL 25 HG21 VAL 25 3.396 35.394 -17.745 144 HG22 VAL 25 HG22 VAL 25 2.878 35.516 -16.063 145 HG23 VAL 25 HG23 VAL 25 4.587 35.309 -16.446 146 H ARG 26 HN ARG 26 5.318 34.530 -13.867 147 HA ARG 26 HA ARG 26 3.510 34.736 -11.705 148 HB2 ARG 26 HB1 ARG 26 5.627 36.774 -12.368 149 HB3 ARG 26 HB2 ARG 26 5.009 36.322 -10.785 150 HG2 ARG 26 HG1 ARG 26 6.756 34.664 -12.589 151 HG3 ARG 26 HG2 ARG 26 7.206 35.413 -11.056 152 HD2 ARG 26 HD1 ARG 26 4.939 33.862 -10.512 153 HD3 ARG 26 HD2 ARG 26 5.958 32.869 -11.554 154 HE ARG 26 HE ARG 26 7.406 34.102 -9.410 155 HH11 ARG 26 HH11 ARG 26 5.410 31.393 -10.303 156 HH12 ARG 26 HH12 ARG 26 6.036 30.356 -9.064 157 HH21 ARG 26 HH21 ARG 26 8.238 32.747 -7.774 158 HH22 ARG 26 HH22 ARG 26 7.644 31.128 -7.626 159 H PHE 27 HN PHE 27 1.578 35.664 -11.811 160 HA PHE 27 HA PHE 27 0.665 37.386 -13.782 161 HB2 PHE 27 HB1 PHE 27 -0.319 37.218 -10.926 162 HB3 PHE 27 HB2 PHE 27 -1.220 37.858 -12.296 163 HD1 PHE 27 HD1 PHE 27 -1.051 35.176 -10.217 164 HD2 PHE 27 HD2 PHE 27 -1.123 36.050 -14.382 165 HE1 PHE 27 HE1 PHE 27 -1.947 32.929 -10.669 166 HE2 PHE 27 HE2 PHE 27 -2.020 33.805 -14.841 167 HZ PHE 27 HZ PHE 27 -2.434 32.242 -12.984 168 H SER 28 HN SER 28 0.358 39.608 -13.911 169 HA SER 28 HA SER 28 1.383 41.348 -11.842 170 HB2 SER 28 HB1 SER 28 3.059 42.438 -13.238 171 HB3 SER 28 HB2 SER 28 3.429 40.719 -13.100 172 HG SER 28 HG SER 28 3.266 42.012 -15.298 173 H LEU 29 HN LEU 29 1.605 43.689 -13.238 174 HA LEU 29 HA LEU 29 -1.081 44.447 -13.587 175 HB2 LEU 29 HB1 LEU 29 1.215 45.980 -14.747 176 HB3 LEU 29 HB2 LEU 29 -0.287 46.591 -14.057 177 HG LEU 29 HG LEU 29 0.846 45.385 -11.895 178 HD11 LEU 29 HD11 LEU 29 2.957 44.873 -12.539 179 HD12 LEU 29 HD12 LEU 29 3.228 46.561 -12.109 180 HD13 LEU 29 HD13 LEU 29 2.996 46.108 -13.797 181 HD21 LEU 29 HD21 LEU 29 0.980 48.203 -12.924 182 HD22 LEU 29 HD22 LEU 29 1.615 47.757 -11.340 183 HD23 LEU 29 HD23 LEU 29 -0.095 47.522 -11.703 184 H THR 30 HN THR 30 1.109 42.938 -15.705 185 HA THR 30 HA THR 30 -0.447 43.742 -18.066 186 HB THR 30 HB THR 30 1.378 42.927 -19.428 187 HG1 THR 30 HG1 THR 30 2.315 41.255 -18.433 188 HG21 THR 30 HG21 THR 30 2.710 44.729 -19.108 189 HG22 THR 30 HG22 THR 30 2.963 44.370 -17.400 190 HG23 THR 30 HG23 THR 30 1.480 45.167 -17.924 191 H GLU 31 HN GLU 31 0.251 41.100 -15.968 192 HA GLU 31 HA GLU 31 -1.137 39.253 -17.795 193 HB2 GLU 31 HB1 GLU 31 1.232 38.693 -17.076 194 HB3 GLU 31 HB2 GLU 31 0.595 38.471 -15.452 195 HG2 GLU 31 HG1 GLU 31 0.817 36.349 -16.606 196 HG3 GLU 31 HG2 GLU 31 -0.873 36.705 -16.253 197 H ARG 32 HN ARG 32 -3.221 39.124 -17.286 198 HA ARG 32 HA ARG 32 -4.219 39.674 -14.663 199 HB2 ARG 32 HB1 ARG 32 -5.349 39.052 -17.313 200 HB3 ARG 32 HB2 ARG 32 -6.313 38.499 -15.950 201 HG2 ARG 32 HG1 ARG 32 -5.380 41.221 -15.595 202 HG3 ARG 32 HG2 ARG 32 -6.337 41.021 -17.064 203 HD2 ARG 32 HD1 ARG 32 -8.215 40.299 -15.886 204 HD3 ARG 32 HD2 ARG 32 -7.273 39.893 -14.452 205 HE ARG 32 HE ARG 32 -7.511 42.050 -13.739 206 HH11 ARG 32 HH11 ARG 32 -8.224 41.904 -17.144 207 HH12 ARG 32 HH12 ARG 32 -8.765 43.547 -17.234 208 HH21 ARG 32 HH21 ARG 32 -8.221 44.215 -13.845 209 HH22 ARG 32 HH22 ARG 32 -8.762 44.861 -15.357 210 H ARG 33 HN ARG 33 -5.479 38.195 -13.362 211 HA ARG 33 HA ARG 33 -4.704 35.375 -13.701 212 HB2 ARG 33 HB1 ARG 33 -4.304 35.150 -11.351 213 HB3 ARG 33 HB2 ARG 33 -3.376 36.531 -11.920 214 HG2 ARG 33 HG1 ARG 33 -4.751 38.060 -10.855 215 HG3 ARG 33 HG2 ARG 33 -6.094 36.921 -10.741 216 HD2 ARG 33 HD1 ARG 33 -5.001 35.682 -9.028 217 HD3 ARG 33 HD2 ARG 33 -3.492 36.559 -9.273 218 HE ARG 33 HE ARG 33 -4.288 38.216 -7.917 219 HH11 ARG 33 HH11 ARG 33 -6.958 36.256 -8.986 220 HH12 ARG 33 HH12 ARG 33 -8.114 37.041 -7.962 221 HH21 ARG 33 HH21 ARG 33 -5.800 39.258 -6.564 222 HH22 ARG 33 HH22 ARG 33 -7.454 38.749 -6.585 223 H HIS 34 HN HIS 34 -6.134 33.837 -12.641 224 HA HIS 34 HA HIS 34 -8.667 34.665 -11.620 225 HB2 HIS 34 HB1 HIS 34 -9.966 33.517 -13.503 226 HB3 HIS 34 HB2 HIS 34 -9.310 35.115 -13.845 227 HD1 HIS 34 HD1 HIS 34 -7.926 35.309 -15.899 228 HD2 HIS 34 HD2 HIS 34 -8.287 31.372 -14.624 229 HE1 HIS 34 HE1 HIS 34 -6.829 33.921 -17.686 230 H HIS 35 HN HIS 35 -9.263 33.156 -10.216 231 HA HIS 35 HA HIS 35 -7.993 30.548 -10.295 232 HB2 HIS 35 HB1 HIS 35 -9.923 31.675 -8.257 233 HB3 HIS 35 HB2 HIS 35 -8.934 30.230 -8.073 234 HD1 HIS 35 HD1 HIS 35 -6.950 30.631 -6.674 235 HD2 HIS 35 HD2 HIS 35 -8.052 34.039 -8.778 236 HE1 HIS 35 HE1 HIS 35 -5.308 32.407 -5.985 237 H CYS 36 HN CYS 36 -8.879 29.010 -11.503 238 HA CYS 36 HA CYS 36 -11.477 29.008 -12.521 239 HB2 CYS 36 HB1 CYS 36 -9.557 27.674 -13.410 240 HB3 CYS 36 HB2 CYS 36 -9.738 26.581 -12.041 241 H ARG 37 HN ARG 37 -13.385 28.566 -11.645 242 HA ARG 37 HA ARG 37 -13.553 27.658 -8.918 243 HB2 ARG 37 HB1 ARG 37 -15.926 27.994 -10.722 244 HB3 ARG 37 HB2 ARG 37 -15.803 28.274 -8.990 245 HG2 ARG 37 HG1 ARG 37 -14.556 29.976 -11.139 246 HG3 ARG 37 HG2 ARG 37 -16.015 30.362 -10.225 247 HD2 ARG 37 HD1 ARG 37 -13.753 29.697 -8.518 248 HD3 ARG 37 HD2 ARG 37 -13.436 31.082 -9.562 249 HE ARG 37 HE ARG 37 -15.940 31.471 -8.431 250 HH11 ARG 37 HH11 ARG 37 -12.635 31.189 -7.374 251 HH12 ARG 37 HH12 ARG 37 -12.855 32.205 -5.988 252 HH21 ARG 37 HH21 ARG 37 -16.242 32.810 -6.609 253 HH22 ARG 37 HH22 ARG 37 -14.907 33.126 -5.554 254 H ASN 38 HN ASN 38 -13.034 26.022 -11.662 255 HA ASN 38 HA ASN 38 -14.867 23.814 -11.115 256 HB2 ASN 38 HB1 ASN 38 -14.311 24.732 -13.470 257 HB3 ASN 38 HB2 ASN 38 -12.798 23.847 -13.298 258 HD21 ASN 38 HD21 ASN 38 -14.387 20.641 -13.332 259 HD22 ASN 38 HD22 ASN 38 -13.135 21.520 -12.530 260 H CYS 39 HN CYS 39 -11.418 24.562 -11.147 261 HA CYS 39 HA CYS 39 -10.926 22.014 -9.748 262 HB2 CYS 39 HB1 CYS 39 -8.470 22.663 -10.685 263 HB3 CYS 39 HB2 CYS 39 -9.599 21.620 -11.543 264 H GLY 40 HN GLY 40 -10.176 25.446 -9.954 265 HA2 GLY 40 HA2 GLY 40 -9.884 26.780 -8.001 266 HA3 GLY 40 HA1 GLY 40 -9.323 25.350 -7.146 267 H GLN 41 HN GLN 41 -8.134 26.055 -10.331 268 HA GLN 41 HA GLN 41 -5.507 26.648 -9.155 269 HB2 GLN 41 HB1 GLN 41 -6.061 25.768 -11.987 270 HB3 GLN 41 HB2 GLN 41 -4.513 25.790 -11.152 271 HG2 GLN 41 HG1 GLN 41 -6.044 24.171 -9.552 272 HG3 GLN 41 HG2 GLN 41 -6.598 23.765 -11.175 273 HE21 GLN 41 HE21 GLN 41 -3.362 22.039 -9.869 274 HE22 GLN 41 HE22 GLN 41 -4.674 22.663 -8.934 275 H LEU 42 HN LEU 42 -4.135 28.202 -10.269 276 HA LEU 42 HA LEU 42 -5.716 30.461 -11.258 277 HB2 LEU 42 HB1 LEU 42 -3.295 30.157 -9.671 278 HB3 LEU 42 HB2 LEU 42 -3.119 31.342 -10.963 279 HG LEU 42 HG LEU 42 -5.279 31.402 -8.857 280 HD11 LEU 42 HD11 LEU 42 -2.513 32.339 -8.854 281 HD12 LEU 42 HD12 LEU 42 -3.635 32.103 -7.515 282 HD13 LEU 42 HD13 LEU 42 -3.692 33.590 -8.462 283 HD21 LEU 42 HD21 LEU 42 -6.254 32.787 -10.307 284 HD22 LEU 42 HD22 LEU 42 -4.820 32.856 -11.333 285 HD23 LEU 42 HD23 LEU 42 -4.955 33.920 -9.932 286 H PHE 43 HN PHE 43 -5.589 31.166 -13.296 287 HA PHE 43 HA PHE 43 -3.359 30.252 -14.974 288 HB2 PHE 43 HB1 PHE 43 -6.281 30.191 -15.758 289 HB3 PHE 43 HB2 PHE 43 -4.932 29.831 -16.831 290 HD1 PHE 43 HD1 PHE 43 -3.411 27.880 -16.198 291 HD2 PHE 43 HD2 PHE 43 -7.249 28.517 -14.474 292 HE1 PHE 43 HE1 PHE 43 -3.486 25.521 -15.502 293 HE2 PHE 43 HE2 PHE 43 -7.330 26.160 -13.774 294 HZ PHE 43 HZ PHE 43 -5.447 24.659 -14.288 295 H CYS 44 HN CYS 44 -3.017 31.550 -16.898 296 HA CYS 44 HA CYS 44 -3.565 34.356 -16.368 297 HB2 CYS 44 HB1 CYS 44 -1.929 34.789 -18.153 298 HB3 CYS 44 HB2 CYS 44 -1.277 33.701 -16.932 299 H GLN 45 HN GLN 45 -4.230 35.796 -18.133 300 HA GLN 45 HA GLN 45 -6.656 35.045 -19.266 301 HB2 GLN 45 HB1 GLN 45 -6.404 37.336 -19.080 302 HB3 GLN 45 HB2 GLN 45 -4.763 37.313 -19.713 303 HG2 GLN 45 HG1 GLN 45 -5.462 37.267 -21.904 304 HG3 GLN 45 HG2 GLN 45 -7.038 36.590 -21.497 305 HE21 GLN 45 HE21 GLN 45 -6.435 40.597 -20.876 306 HE22 GLN 45 HE22 GLN 45 -5.147 39.471 -20.632 307 H LYS 46 HN LYS 46 -3.451 34.477 -20.350 308 HA LYS 46 HA LYS 46 -4.250 33.960 -23.099 309 HB2 LYS 46 HB1 LYS 46 -1.844 34.693 -21.841 310 HB3 LYS 46 HB2 LYS 46 -1.582 33.065 -22.453 311 HG2 LYS 46 HG1 LYS 46 -2.471 35.460 -24.047 312 HG3 LYS 46 HG2 LYS 46 -0.886 34.684 -24.095 313 HD2 LYS 46 HD1 LYS 46 -3.482 33.338 -24.838 314 HD3 LYS 46 HD2 LYS 46 -2.352 34.050 -25.993 315 HE2 LYS 46 HE1 LYS 46 -0.947 32.291 -24.220 316 HE3 LYS 46 HE2 LYS 46 -2.328 31.446 -24.919 317 HZ1 LYS 46 HZ1 LYS 46 -1.290 31.306 -26.857 318 HZ2 LYS 46 HZ2 LYS 46 0.107 31.903 -26.115 319 HZ3 LYS 46 HZ3 LYS 46 -0.958 32.964 -26.890 320 H CYS 47 HN CYS 47 -4.002 32.277 -20.156 321 HA CYS 47 HA CYS 47 -3.522 29.678 -21.327 322 HB2 CYS 47 HB1 CYS 47 -3.386 30.802 -18.725 323 HB3 CYS 47 HB2 CYS 47 -4.569 29.499 -18.668 324 H SER 48 HN SER 48 -6.244 31.282 -19.686 325 HA SER 48 HA SER 48 -8.039 29.181 -20.647 326 HB2 SER 48 HB1 SER 48 -8.886 31.483 -18.908 327 HB3 SER 48 HB2 SER 48 -9.567 29.859 -19.007 328 HG SER 48 HG SER 48 -7.262 29.309 -18.228 329 H ARG 49 HN ARG 49 -7.528 32.669 -20.851 330 HA ARG 49 HA ARG 49 -8.641 34.282 -22.072 331 HB2 ARG 49 HB1 ARG 49 -8.529 33.680 -24.561 332 HB3 ARG 49 HB2 ARG 49 -7.017 33.696 -23.662 333 HG2 ARG 49 HG1 ARG 49 -7.321 31.197 -23.379 334 HG3 ARG 49 HG2 ARG 49 -8.603 31.322 -24.585 335 HD2 ARG 49 HD1 ARG 49 -6.002 32.577 -25.242 336 HD3 ARG 49 HD2 ARG 49 -6.057 30.815 -25.217 337 HE ARG 49 HE ARG 49 -8.230 31.805 -26.709 338 HH11 ARG 49 HH11 ARG 49 -4.769 31.470 -26.870 339 HH12 ARG 49 HH12 ARG 49 -4.726 31.392 -28.601 340 HH21 ARG 49 HH21 ARG 49 -8.187 31.703 -28.987 341 HH22 ARG 49 HH22 ARG 49 -6.671 31.526 -29.804 342 H PHE 50 HN PHE 50 -10.442 32.316 -20.860 343 HA PHE 50 HA PHE 50 -12.726 32.751 -22.639 344 HB2 PHE 50 HB1 PHE 50 -11.993 30.108 -21.370 345 HB3 PHE 50 HB2 PHE 50 -13.570 30.452 -22.074 346 HD1 PHE 50 HD1 PHE 50 -12.881 31.925 -24.492 347 HD2 PHE 50 HD2 PHE 50 -11.012 28.528 -22.736 348 HE1 PHE 50 HE1 PHE 50 -12.040 31.248 -26.703 349 HE2 PHE 50 HE2 PHE 50 -10.167 27.846 -24.944 350 HZ PHE 50 HZ PHE 50 -10.681 29.207 -26.931 351 H GLN 51 HN GLN 51 -14.824 32.160 -21.414 352 HA GLN 51 HA GLN 51 -14.747 32.378 -18.555 353 HB2 GLN 51 HB1 GLN 51 -15.221 34.768 -20.245 354 HB3 GLN 51 HB2 GLN 51 -16.300 34.549 -18.874 355 HG2 GLN 51 HG1 GLN 51 -13.868 34.107 -17.736 356 HG3 GLN 51 HG2 GLN 51 -13.483 35.323 -18.953 357 HE21 GLN 51 HE21 GLN 51 -15.728 36.250 -15.693 358 HE22 GLN 51 HE22 GLN 51 -15.364 34.612 -16.104 359 H SER 52 HN SER 52 -16.483 31.395 -17.737 360 HA SER 52 HA SER 52 -19.104 31.615 -18.744 361 HB2 SER 52 HB1 SER 52 -18.164 30.218 -20.572 362 HB3 SER 52 HB2 SER 52 -17.747 28.984 -19.383 363 HG SER 52 HG SER 52 -19.689 28.331 -20.032 364 H GLU 53 HN GLU 53 -20.516 29.738 -17.786 365 HA GLU 53 HA GLU 53 -19.916 29.673 -14.970 366 HB2 GLU 53 HB1 GLU 53 -22.123 28.578 -14.766 367 HB3 GLU 53 HB2 GLU 53 -22.199 30.083 -15.670 368 HG2 GLU 53 HG1 GLU 53 -23.553 28.629 -16.871 369 HG3 GLU 53 HG2 GLU 53 -22.032 28.631 -17.762 370 H ILE 54 HN ILE 54 -20.666 27.425 -13.903 371 HA ILE 54 HA ILE 54 -19.360 25.207 -15.302 372 HB ILE 54 HB ILE 54 -18.724 25.931 -12.441 373 HG12 ILE 54 HG11 ILE 54 -16.882 26.071 -14.830 374 HG13 ILE 54 HG12 ILE 54 -17.755 27.467 -14.207 375 HG21 ILE 54 HG21 ILE 54 -18.702 23.521 -12.951 376 HG22 ILE 54 HG22 ILE 54 -17.533 23.822 -14.235 377 HG23 ILE 54 HG23 ILE 54 -17.099 24.141 -12.556 378 HD11 ILE 54 HD11 ILE 54 -16.379 26.173 -12.065 379 HD12 ILE 54 HD12 ILE 54 -15.261 26.483 -13.394 380 HD13 ILE 54 HD13 ILE 54 -16.187 27.810 -12.693 381 H LYS 55 HN LYS 55 -21.542 24.465 -15.555 382 HA LYS 55 HA LYS 55 -23.391 24.037 -13.537 383 HB2 LYS 55 HB1 LYS 55 -22.944 23.047 -16.247 384 HB3 LYS 55 HB2 LYS 55 -23.733 21.861 -15.216 385 HG2 LYS 55 HG1 LYS 55 -24.681 24.672 -15.734 386 HG3 LYS 55 HG2 LYS 55 -25.367 23.193 -16.411 387 HD2 LYS 55 HD1 LYS 55 -26.732 23.128 -14.652 388 HD3 LYS 55 HD2 LYS 55 -25.320 22.771 -13.655 389 HE2 LYS 55 HE1 LYS 55 -25.256 24.848 -12.783 390 HE3 LYS 55 HE2 LYS 55 -25.706 25.612 -14.307 391 HZ1 LYS 55 HZ1 LYS 55 -27.699 24.089 -12.759 392 HZ2 LYS 55 HZ2 LYS 55 -27.945 25.327 -13.884 393 HZ3 LYS 55 HZ3 LYS 55 -27.343 25.691 -12.345 394 H ARG 56 HN ARG 56 -20.626 22.083 -14.495 395 HA ARG 56 HA ARG 56 -21.201 19.771 -13.027 396 HB2 ARG 56 HB1 ARG 56 -19.266 20.391 -14.743 397 HB3 ARG 56 HB2 ARG 56 -18.374 20.681 -13.256 398 HG2 ARG 56 HG1 ARG 56 -18.295 18.486 -12.710 399 HG3 ARG 56 HG2 ARG 56 -19.861 18.134 -13.442 400 HD2 ARG 56 HD1 ARG 56 -18.841 17.350 -15.250 401 HD3 ARG 56 HD2 ARG 56 -18.092 18.924 -15.512 402 HE ARG 56 HE ARG 56 -16.524 17.767 -13.620 403 HH11 ARG 56 HH11 ARG 56 -17.638 16.797 -16.772 404 HH12 ARG 56 HH12 ARG 56 -16.236 15.839 -17.117 405 HH21 ARG 56 HH21 ARG 56 -14.673 16.509 -14.061 406 HH22 ARG 56 HH22 ARG 56 -14.551 15.675 -15.574 407 H LEU 57 HN LEU 57 -20.270 22.897 -11.988 408 HA LEU 57 HA LEU 57 -19.622 21.868 -9.307 409 HB2 LEU 57 HB1 LEU 57 -18.723 24.251 -10.846 410 HB3 LEU 57 HB2 LEU 57 -18.812 24.369 -9.090 411 HG LEU 57 HG LEU 57 -16.552 23.801 -10.055 412 HD11 LEU 57 HD11 LEU 57 -17.418 21.579 -8.273 413 HD12 LEU 57 HD12 LEU 57 -17.547 23.240 -7.695 414 HD13 LEU 57 HD13 LEU 57 -15.981 22.598 -8.192 415 HD21 LEU 57 HD21 LEU 57 -17.532 21.000 -10.341 416 HD22 LEU 57 HD22 LEU 57 -16.118 21.778 -11.052 417 HD23 LEU 57 HD23 LEU 57 -17.728 22.123 -11.687 418 H LYS 58 HN LYS 58 -22.268 22.569 -10.718 419 HA LYS 58 HA LYS 58 -24.310 23.322 -10.050 420 HB2 LYS 58 HB1 LYS 58 -23.089 24.055 -7.396 421 HB3 LYS 58 HB2 LYS 58 -24.759 23.628 -7.742 422 HG2 LYS 58 HG1 LYS 58 -23.479 21.377 -8.537 423 HG3 LYS 58 HG2 LYS 58 -22.440 21.914 -7.214 424 HD2 LYS 58 HD1 LYS 58 -25.344 22.007 -6.697 425 HD3 LYS 58 HD2 LYS 58 -24.642 20.397 -6.871 426 HE2 LYS 58 HE1 LYS 58 -24.046 20.560 -4.729 427 HE3 LYS 58 HE2 LYS 58 -22.841 21.735 -5.253 428 HZ1 LYS 58 HZ1 LYS 58 -24.790 22.223 -3.463 429 HZ2 LYS 58 HZ2 LYS 58 -25.479 22.836 -4.881 430 HZ3 LYS 58 HZ3 LYS 58 -23.981 23.414 -4.350 431 H ILE 59 HN ILE 59 -22.173 25.094 -11.154 432 HA ILE 59 HA ILE 59 -23.105 27.687 -10.124 433 HB ILE 59 HB ILE 59 -20.692 27.135 -11.854 434 HG12 ILE 59 HG11 ILE 59 -20.869 27.693 -8.884 435 HG13 ILE 59 HG12 ILE 59 -20.447 26.148 -9.616 436 HG21 ILE 59 HG21 ILE 59 -20.438 29.336 -12.056 437 HG22 ILE 59 HG22 ILE 59 -22.078 29.497 -11.431 438 HG23 ILE 59 HG23 ILE 59 -20.703 29.596 -10.332 439 HD11 ILE 59 HD11 ILE 59 -18.869 28.703 -9.788 440 HD12 ILE 59 HD12 ILE 59 -18.463 27.267 -8.847 441 HD13 ILE 59 HD13 ILE 59 -18.457 27.197 -10.609 442 H SER 60 HN SER 60 -24.641 28.634 -11.274 443 HA SER 60 HA SER 60 -24.980 27.938 -14.091 444 HB2 SER 60 HB1 SER 60 -26.958 29.795 -13.151 445 HB3 SER 60 HB2 SER 60 -27.169 28.118 -13.653 446 HG SER 60 HG SER 60 -27.694 28.796 -11.365 447 H SER 61 HN SER 61 -23.916 30.522 -12.070 448 HA SER 61 HA SER 61 -24.186 32.558 -14.104 449 HB2 SER 61 HB1 SER 61 -23.111 32.488 -11.303 450 HB3 SER 61 HB2 SER 61 -22.729 33.850 -12.356 451 HG SER 61 HG SER 61 -25.116 33.905 -12.701 452 HA PRO 62 HA PRO 62 -20.299 32.100 -16.088 453 HB2 PRO 62 HB1 PRO 62 -19.675 34.683 -16.644 454 HB3 PRO 62 HB2 PRO 62 -20.948 33.798 -17.493 455 HG2 PRO 62 HG1 PRO 62 -21.180 35.752 -15.237 456 HG3 PRO 62 HG2 PRO 62 -22.172 35.609 -16.700 457 HD2 PRO 62 HD1 PRO 62 -22.969 34.643 -14.299 458 HD3 PRO 62 HD2 PRO 62 -23.422 33.876 -15.835 459 H VAL 63 HN VAL 63 -18.435 31.569 -15.155 460 HA VAL 63 HA VAL 63 -17.135 33.508 -13.372 461 HB VAL 63 HB VAL 63 -16.415 31.689 -11.874 462 HG11 VAL 63 HG11 VAL 63 -19.346 32.202 -12.251 463 HG12 VAL 63 HG12 VAL 63 -18.750 31.196 -10.929 464 HG13 VAL 63 HG13 VAL 63 -18.246 32.882 -11.053 465 HG21 VAL 63 HG21 VAL 63 -16.688 29.898 -13.635 466 HG22 VAL 63 HG22 VAL 63 -17.266 29.484 -12.021 467 HG23 VAL 63 HG23 VAL 63 -18.415 29.935 -13.280 468 H ARG 64 HN ARG 64 -14.825 32.457 -12.805 469 HA ARG 64 HA ARG 64 -13.424 32.416 -15.286 470 HB2 ARG 64 HB1 ARG 64 -12.268 31.667 -12.605 471 HB3 ARG 64 HB2 ARG 64 -11.435 32.357 -13.992 472 HG2 ARG 64 HG1 ARG 64 -12.354 34.479 -13.634 473 HG3 ARG 64 HG2 ARG 64 -13.599 33.850 -12.553 474 HD2 ARG 64 HD1 ARG 64 -12.225 33.845 -10.766 475 HD3 ARG 64 HD2 ARG 64 -10.832 33.325 -11.713 476 HE ARG 64 HE ARG 64 -11.165 35.875 -12.510 477 HH11 ARG 64 HH11 ARG 64 -10.970 34.393 -9.366 478 HH12 ARG 64 HH12 ARG 64 -10.267 35.784 -8.610 479 HH21 ARG 64 HH21 ARG 64 -10.240 37.713 -11.526 480 HH22 ARG 64 HH22 ARG 64 -9.854 37.673 -9.839 481 H VAL 65 HN VAL 65 -12.653 30.749 -16.449 482 HA VAL 65 HA VAL 65 -12.470 28.090 -15.294 483 HB VAL 65 HB VAL 65 -13.821 27.032 -17.044 484 HG11 VAL 65 HG11 VAL 65 -14.758 27.841 -14.801 485 HG12 VAL 65 HG12 VAL 65 -15.543 29.113 -15.739 486 HG13 VAL 65 HG13 VAL 65 -15.910 27.420 -16.069 487 HG21 VAL 65 HG21 VAL 65 -15.294 28.398 -18.461 488 HG22 VAL 65 HG22 VAL 65 -14.528 29.857 -17.834 489 HG23 VAL 65 HG23 VAL 65 -13.589 28.709 -18.788 490 H CYS 66 HN CYS 66 -10.873 26.909 -16.192 491 HA CYS 66 HA CYS 66 -9.145 28.175 -18.094 492 HB2 CYS 66 HB1 CYS 66 -7.791 26.091 -17.858 493 HB3 CYS 66 HB2 CYS 66 -8.155 26.871 -16.323 494 H GLN 67 HN GLN 67 -8.477 27.282 -20.124 495 HA GLN 67 HA GLN 67 -10.494 26.694 -21.892 496 HB2 GLN 67 HB1 GLN 67 -8.448 27.389 -22.816 497 HB3 GLN 67 HB2 GLN 67 -7.542 26.135 -21.979 498 HG2 GLN 67 HG1 GLN 67 -8.505 24.439 -23.407 499 HG3 GLN 67 HG2 GLN 67 -9.507 25.649 -24.206 500 HE21 GLN 67 HE21 GLN 67 -5.668 25.063 -25.296 501 HE22 GLN 67 HE22 GLN 67 -6.408 24.198 -23.996 502 H ASN 68 HN ASN 68 -8.494 24.446 -20.046 503 HA ASN 68 HA ASN 68 -9.276 22.062 -21.259 504 HB2 ASN 68 HB1 ASN 68 -7.781 22.830 -18.977 505 HB3 ASN 68 HB2 ASN 68 -8.971 21.649 -18.437 506 HD21 ASN 68 HD21 ASN 68 -5.706 20.234 -19.900 507 HD22 ASN 68 HD22 ASN 68 -5.959 21.680 -18.988 508 H CYS 69 HN CYS 69 -10.788 23.900 -18.645 509 HA CYS 69 HA CYS 69 -12.896 21.961 -18.295 510 HB2 CYS 69 HB1 CYS 69 -12.332 24.675 -17.118 511 HB3 CYS 69 HB2 CYS 69 -13.848 23.836 -16.812 512 H TYR 70 HN TYR 70 -12.709 25.317 -19.474 513 HA TYR 70 HA TYR 70 -15.328 25.724 -20.183 514 HB2 TYR 70 HB1 TYR 70 -13.602 27.461 -20.334 515 HB3 TYR 70 HB2 TYR 70 -12.876 26.632 -21.706 516 HD1 TYR 70 HD1 TYR 70 -14.106 26.523 -23.870 517 HD2 TYR 70 HD2 TYR 70 -15.492 28.879 -20.609 518 HE1 TYR 70 HE1 TYR 70 -15.559 27.782 -25.404 519 HE2 TYR 70 HE2 TYR 70 -16.950 30.143 -22.135 520 HH TYR 70 HH TYR 70 -18.057 29.733 -24.386 521 H TYR 71 HN TYR 71 -12.804 24.120 -22.085 522 HA TYR 71 HA TYR 71 -14.102 23.735 -24.471 523 HB2 TYR 71 HB1 TYR 71 -11.910 22.460 -23.050 524 HB3 TYR 71 HB2 TYR 71 -12.801 21.309 -24.039 525 HD1 TYR 71 HD1 TYR 71 -13.446 22.434 -26.465 526 HD2 TYR 71 HD2 TYR 71 -10.055 23.359 -24.066 527 HE1 TYR 71 HE1 TYR 71 -12.253 23.224 -28.466 528 HE2 TYR 71 HE2 TYR 71 -8.854 24.153 -26.060 529 HH TYR 71 HH TYR 71 -10.333 23.988 -29.283 530 H ASN 72 HN ASN 72 -14.562 22.015 -21.446 531 HA ASN 72 HA ASN 72 -16.398 20.117 -22.651 532 HB2 ASN 72 HB1 ASN 72 -14.970 20.370 -20.102 533 HB3 ASN 72 HB2 ASN 72 -16.622 19.785 -19.926 534 HD21 ASN 72 HD21 ASN 72 -13.720 17.413 -21.376 535 HD22 ASN 72 HD22 ASN 72 -13.439 19.042 -20.874 536 H LEU 73 HN LEU 73 -16.514 22.823 -20.365 537 HA LEU 73 HA LEU 73 -19.198 22.722 -19.676 538 HB2 LEU 73 HB1 LEU 73 -17.505 25.180 -20.097 539 HB3 LEU 73 HB2 LEU 73 -19.011 25.109 -19.185 540 HG LEU 73 HG LEU 73 -16.563 23.537 -18.414 541 HD11 LEU 73 HD11 LEU 73 -16.676 26.279 -18.434 542 HD12 LEU 73 HD12 LEU 73 -15.640 25.296 -17.401 543 HD13 LEU 73 HD13 LEU 73 -17.192 25.875 -16.796 544 HD21 LEU 73 HD21 LEU 73 -18.142 22.586 -17.129 545 HD22 LEU 73 HD22 LEU 73 -19.273 23.922 -17.347 546 HD23 LEU 73 HD23 LEU 73 -17.975 24.050 -16.159 547 H GLN 74 HN GLN 74 -17.675 24.435 -22.394 548 HA GLN 74 HA GLN 74 -19.904 25.670 -23.458 549 HB2 GLN 74 HB1 GLN 74 -18.701 25.470 -25.671 550 HB3 GLN 74 HB2 GLN 74 -17.773 26.196 -24.366 551 HG2 GLN 74 HG1 GLN 74 -16.170 24.713 -24.675 552 HG3 GLN 74 HG2 GLN 74 -17.298 23.409 -24.305 553 HE21 GLN 74 HE21 GLN 74 -15.937 23.947 -28.028 554 HE22 GLN 74 HE22 GLN 74 -15.376 24.844 -26.662 555 H HIS 75 HN HIS 75 -18.833 22.336 -23.807 556 HA HIS 75 HA HIS 75 -21.163 21.756 -25.495 557 HB2 HIS 75 HB1 HIS 75 -18.770 21.017 -26.105 558 HB3 HIS 75 HB2 HIS 75 -18.962 19.810 -24.837 559 HD1 HIS 75 HD1 HIS 75 -20.865 20.916 -27.947 560 HD2 HIS 75 HD2 HIS 75 -19.987 17.492 -25.763 561 HE1 HIS 75 HE1 HIS 75 -21.884 19.014 -29.239 562 H GLU 76 HN GLU 76 -20.854 22.106 -22.415 563 HA GLU 76 HA GLU 76 -21.911 19.522 -21.545 564 HB2 GLU 76 HB1 GLU 76 -20.116 20.697 -20.236 565 HB3 GLU 76 HB2 GLU 76 -21.289 21.952 -19.862 566 HG2 GLU 76 HG1 GLU 76 -21.756 20.758 -18.050 567 HG3 GLU 76 HG2 GLU 76 -22.610 19.664 -19.136 568 H ARG 77 HN ARG 77 -23.242 21.934 -23.074 569 HA ARG 77 HA ARG 77 -25.379 22.685 -23.310 570 HB2 ARG 77 HB1 ARG 77 -26.238 20.957 -21.006 571 HB3 ARG 77 HB2 ARG 77 -27.164 21.449 -22.418 572 HG2 ARG 77 HG1 ARG 77 -25.752 20.014 -23.825 573 HG3 ARG 77 HG2 ARG 77 -24.874 19.495 -22.384 574 HD2 ARG 77 HD1 ARG 77 -26.499 18.081 -21.765 575 HD3 ARG 77 HD2 ARG 77 -27.774 19.236 -22.151 576 HE ARG 77 HE ARG 77 -26.633 18.180 -24.518 577 HH11 ARG 77 HH11 ARG 77 -28.768 17.361 -21.893 578 HH12 ARG 77 HH12 ARG 77 -29.673 16.208 -22.817 579 HH21 ARG 77 HH21 ARG 77 -27.817 16.665 -25.745 580 HH22 ARG 77 HH22 ARG 77 -29.131 15.812 -25.007 581 H GLY 78 HN GLY 78 -23.456 23.912 -21.474 582 HA2 GLY 78 HA2 GLY 78 -24.864 24.818 -19.153 583 HA3 GLY 78 HA1 GLY 78 -23.356 25.469 -19.776 Start of MODEL 4 1 H1 SER 1 HN SER 1 17.870 61.632 -5.075 2 HA SER 1 HA SER 1 17.417 60.208 -3.253 3 HB2 SER 1 HB1 SER 1 16.699 57.952 -4.673 4 HB3 SER 1 HB2 SER 1 15.682 59.371 -4.424 5 HG SER 1 HG SER 1 16.667 60.207 -6.392 6 H ASN 2 HN ASN 2 18.438 58.963 -1.829 7 HA ASN 2 HA ASN 2 20.750 57.414 -2.740 8 HB2 ASN 2 HB1 ASN 2 19.916 58.352 0.011 9 HB3 ASN 2 HB2 ASN 2 21.325 57.342 -0.297 10 HD21 ASN 2 HD21 ASN 2 23.377 59.991 -1.080 11 HD22 ASN 2 HD22 ASN 2 23.180 58.327 -0.659 12 H ALA 3 HN ALA 3 21.128 55.276 -1.906 13 HA ALA 3 HA ALA 3 20.540 53.119 -1.480 14 HB1 ALA 3 HB1 ALA 3 19.100 52.683 0.304 15 HB2 ALA 3 HB2 ALA 3 19.742 54.287 0.658 16 HB3 ALA 3 HB3 ALA 3 18.120 54.115 -0.015 17 H GLY 4 HN GLY 4 18.200 51.746 -1.361 18 HA2 GLY 4 HA2 GLY 4 16.361 52.568 -3.411 19 HA3 GLY 4 HA1 GLY 4 17.466 51.315 -3.956 20 H ARG 5 HN ARG 5 14.944 50.614 -4.085 21 HA ARG 5 HA ARG 5 13.450 49.013 -3.469 22 HB2 ARG 5 HB1 ARG 5 14.340 47.105 -2.647 23 HB3 ARG 5 HB2 ARG 5 15.865 47.959 -2.840 24 HG2 ARG 5 HG1 ARG 5 16.165 47.373 -0.697 25 HG3 ARG 5 HG2 ARG 5 15.162 48.788 -0.375 26 HD2 ARG 5 HD1 ARG 5 14.257 47.011 0.905 27 HD3 ARG 5 HD2 ARG 5 13.168 47.254 -0.459 28 HE ARG 5 HE ARG 5 14.847 45.320 -1.336 29 HH11 ARG 5 HH11 ARG 5 12.894 45.690 1.522 30 HH12 ARG 5 HH12 ARG 5 12.633 43.990 1.722 31 HH21 ARG 5 HH21 ARG 5 14.510 43.078 -1.083 32 HH22 ARG 5 HH22 ARG 5 13.553 42.504 0.240 33 H SER 6 HN SER 6 11.850 48.557 -1.892 34 HA SER 6 HA SER 6 11.885 49.389 0.769 35 HB2 SER 6 HB1 SER 6 11.227 51.554 0.818 36 HB3 SER 6 HB2 SER 6 11.847 51.610 -0.832 37 HG SER 6 HG SER 6 9.713 52.402 -0.714 38 H ALA 7 HN ALA 7 10.322 48.265 1.716 39 HA ALA 7 HA ALA 7 8.467 46.978 2.017 40 HB1 ALA 7 HB1 ALA 7 7.455 49.264 0.383 41 HB2 ALA 7 HB2 ALA 7 6.378 47.927 0.789 42 HB3 ALA 7 HB3 ALA 7 7.142 48.866 2.072 43 H ALA 8 HN ALA 8 10.294 46.234 -0.119 44 HA ALA 8 HA ALA 8 8.895 45.395 -2.425 45 HB1 ALA 8 HB1 ALA 8 10.947 44.903 -3.109 46 HB2 ALA 8 HB2 ALA 8 11.549 45.331 -1.507 47 HB3 ALA 8 HB3 ALA 8 11.106 43.662 -1.866 48 H ASP 9 HN ASP 9 8.940 44.204 0.767 49 HA ASP 9 HA ASP 9 7.160 42.050 0.053 50 HB2 ASP 9 HB1 ASP 9 9.982 41.556 0.728 51 HB3 ASP 9 HB2 ASP 9 8.832 40.601 1.659 52 H HIS 10 HN HIS 10 9.069 43.632 2.573 53 HA HIS 10 HA HIS 10 8.563 44.260 4.701 54 HB2 HIS 10 HB1 HIS 10 6.395 44.956 3.326 55 HB3 HIS 10 HB2 HIS 10 5.656 43.707 4.324 56 HD1 HIS 10 HD1 HIS 10 4.357 45.031 5.985 57 HD2 HIS 10 HD2 HIS 10 8.246 46.428 5.559 58 HE1 HIS 10 HE1 HIS 10 4.636 46.794 7.756 59 H TRP 11 HN TRP 11 9.010 41.432 3.981 60 HA TRP 11 HA TRP 11 9.109 39.422 5.041 61 HB2 TRP 11 HB1 TRP 11 9.117 41.284 7.075 62 HB3 TRP 11 HB2 TRP 11 7.789 40.219 7.531 63 HD1 TRP 11 HD1 TRP 11 8.812 37.410 6.904 64 HE1 TRP 11 HE1 TRP 11 10.869 36.409 8.084 65 HE3 TRP 11 HE3 TRP 11 11.069 41.742 8.413 66 HZ2 TRP 11 HZ2 TRP 11 13.147 37.334 9.471 67 HZ3 TRP 11 HZ3 TRP 11 13.184 41.597 9.662 68 HH2 TRP 11 HH2 TRP 11 14.200 39.438 10.179 69 H VAL 12 HN VAL 12 6.751 40.225 3.527 70 HA VAL 12 HA VAL 12 4.889 38.242 4.621 71 HB VAL 12 HB VAL 12 3.745 40.697 3.356 72 HG11 VAL 12 HG11 VAL 12 2.425 38.609 3.858 73 HG12 VAL 12 HG12 VAL 12 2.671 38.963 5.569 74 HG13 VAL 12 HG13 VAL 12 1.786 40.100 4.551 75 HG21 VAL 12 HG21 VAL 12 3.431 41.454 5.837 76 HG22 VAL 12 HG22 VAL 12 4.882 40.489 6.110 77 HG23 VAL 12 HG23 VAL 12 4.921 41.840 4.976 78 H LYS 13 HN LYS 13 4.186 36.841 3.136 79 HA LYS 13 HA LYS 13 3.711 37.503 0.416 80 HB2 LYS 13 HB1 LYS 13 6.270 37.368 0.590 81 HB3 LYS 13 HB2 LYS 13 6.042 35.638 0.808 82 HG2 LYS 13 HG1 LYS 13 4.575 35.985 -1.399 83 HG3 LYS 13 HG2 LYS 13 5.727 37.306 -1.607 84 HD2 LYS 13 HD1 LYS 13 7.003 34.830 -0.768 85 HD3 LYS 13 HD2 LYS 13 6.132 34.661 -2.294 86 HE2 LYS 13 HE1 LYS 13 7.361 36.976 -2.778 87 HE3 LYS 13 HE2 LYS 13 8.511 36.301 -1.626 88 HZ1 LYS 13 HZ1 LYS 13 8.108 34.213 -3.235 89 HZ2 LYS 13 HZ2 LYS 13 9.350 35.339 -3.456 90 HZ3 LYS 13 HZ3 LYS 13 7.914 35.480 -4.340 91 H ASP 14 HN ASP 14 2.468 36.155 2.698 92 HA ASP 14 HA ASP 14 2.248 33.388 1.780 93 HB2 ASP 14 HB1 ASP 14 2.500 34.091 4.252 94 HB3 ASP 14 HB2 ASP 14 0.805 34.557 4.147 95 H GLU 15 HN GLU 15 1.146 35.732 0.311 96 HA GLU 15 HA GLU 15 -1.691 35.686 0.604 97 HB2 GLU 15 HB1 GLU 15 -0.324 37.570 -0.386 98 HB3 GLU 15 HB2 GLU 15 -0.136 36.578 -1.825 99 HG2 GLU 15 HG1 GLU 15 -2.297 36.855 -2.474 100 HG3 GLU 15 HG2 GLU 15 -2.886 37.045 -0.824 101 H GLY 16 HN GLY 16 0.549 33.597 -0.872 102 HA2 GLY 16 HA2 GLY 16 -0.688 31.429 -1.448 103 HA3 GLY 16 HA1 GLY 16 -1.533 32.442 -2.609 104 H GLY 17 HN GLY 17 -0.442 33.195 -4.449 105 HA2 GLY 17 HA2 GLY 17 2.323 32.443 -4.875 106 HA3 GLY 17 HA1 GLY 17 1.164 31.529 -5.828 107 H ASP 18 HN ASP 18 -0.651 33.294 -6.647 108 HA ASP 18 HA ASP 18 -1.095 34.962 -8.132 109 HB2 ASP 18 HB1 ASP 18 1.546 36.218 -7.398 110 HB3 ASP 18 HB2 ASP 18 0.094 37.012 -8.000 111 H SER 19 HN SER 19 0.036 32.636 -9.095 112 HA SER 19 HA SER 19 1.376 33.644 -11.483 113 HB2 SER 19 HB1 SER 19 2.709 31.241 -10.982 114 HB3 SER 19 HB2 SER 19 3.382 32.865 -10.841 115 HG SER 19 HG SER 19 1.949 31.634 -8.736 116 H CYS 20 HN CYS 20 1.222 32.233 -13.299 117 HA CYS 20 HA CYS 20 -1.242 30.856 -13.465 118 HB2 CYS 20 HB1 CYS 20 -0.109 31.981 -15.381 119 HB3 CYS 20 HB2 CYS 20 1.099 30.700 -15.373 120 H SER 21 HN SER 21 -1.606 28.618 -13.938 121 HA SER 21 HA SER 21 0.228 26.882 -12.466 122 HB2 SER 21 HB1 SER 21 -2.576 27.059 -12.601 123 HB3 SER 21 HB2 SER 21 -2.155 25.548 -13.406 124 HG SER 21 HG SER 21 -1.267 24.798 -11.574 125 H GLY 22 HN GLY 22 -1.089 27.393 -15.663 126 HA2 GLY 22 HA2 GLY 22 0.246 24.972 -16.651 127 HA3 GLY 22 HA1 GLY 22 -0.934 25.930 -17.535 128 H CYS 23 HN CYS 23 1.093 28.088 -16.120 129 HA CYS 23 HA CYS 23 3.091 27.998 -18.265 130 HB2 CYS 23 HB1 CYS 23 1.370 30.385 -17.571 131 HB3 CYS 23 HB2 CYS 23 2.809 30.469 -18.582 132 H SER 24 HN SER 24 2.095 29.065 -15.100 133 HA SER 24 HA SER 24 3.305 29.542 -13.226 134 HB2 SER 24 HB1 SER 24 5.932 29.206 -14.594 135 HB3 SER 24 HB2 SER 24 5.420 28.671 -12.993 136 HG SER 24 HG SER 24 4.222 27.023 -13.994 137 H VAL 25 HN VAL 25 2.938 31.371 -15.724 138 HA VAL 25 HA VAL 25 5.013 33.327 -15.487 139 HB VAL 25 HB VAL 25 3.915 33.226 -17.587 140 HG11 VAL 25 HG11 VAL 25 1.837 32.404 -17.584 141 HG12 VAL 25 HG12 VAL 25 1.517 32.980 -15.947 142 HG13 VAL 25 HG13 VAL 25 1.316 34.068 -17.320 143 HG21 VAL 25 HG21 VAL 25 3.374 35.475 -17.962 144 HG22 VAL 25 HG22 VAL 25 2.706 35.678 -16.342 145 HG23 VAL 25 HG23 VAL 25 4.448 35.511 -16.564 146 H ARG 26 HN ARG 26 5.246 34.652 -13.821 147 HA ARG 26 HA ARG 26 3.380 35.033 -11.779 148 HB2 ARG 26 HB1 ARG 26 5.535 37.014 -12.503 149 HB3 ARG 26 HB2 ARG 26 4.852 36.693 -10.914 150 HG2 ARG 26 HG1 ARG 26 6.631 34.876 -12.524 151 HG3 ARG 26 HG2 ARG 26 7.042 35.732 -11.036 152 HD2 ARG 26 HD1 ARG 26 4.739 34.275 -10.434 153 HD3 ARG 26 HD2 ARG 26 5.735 33.184 -11.395 154 HE ARG 26 HE ARG 26 7.166 34.525 -9.290 155 HH11 ARG 26 HH11 ARG 26 5.221 31.765 -10.136 156 HH12 ARG 26 HH12 ARG 26 5.830 30.777 -8.849 157 HH21 ARG 26 HH21 ARG 26 7.976 33.235 -7.592 158 HH22 ARG 26 HH22 ARG 26 7.396 31.615 -7.402 159 H PHE 27 HN PHE 27 1.443 35.934 -11.993 160 HA PHE 27 HA PHE 27 0.589 37.588 -14.048 161 HB2 PHE 27 HB1 PHE 27 -0.501 37.546 -11.226 162 HB3 PHE 27 HB2 PHE 27 -1.357 38.069 -12.673 163 HD1 PHE 27 HD1 PHE 27 -1.121 36.125 -14.624 164 HD2 PHE 27 HD2 PHE 27 -1.225 35.542 -10.409 165 HE1 PHE 27 HE1 PHE 27 -1.947 33.832 -14.965 166 HE2 PHE 27 HE2 PHE 27 -2.050 33.248 -10.744 167 HZ PHE 27 HZ PHE 27 -2.411 32.390 -13.024 168 H SER 28 HN SER 28 0.296 39.800 -14.271 169 HA SER 28 HA SER 28 1.260 41.605 -12.221 170 HB2 SER 28 HB1 SER 28 2.952 42.664 -13.607 171 HB3 SER 28 HB2 SER 28 3.320 40.947 -13.453 172 HG SER 28 HG SER 28 2.984 40.685 -15.523 173 H LEU 29 HN LEU 29 1.487 43.908 -13.689 174 HA LEU 29 HA LEU 29 -1.189 44.664 -14.059 175 HB2 LEU 29 HB1 LEU 29 1.106 46.116 -15.324 176 HB3 LEU 29 HB2 LEU 29 -0.385 46.776 -14.655 177 HG LEU 29 HG LEU 29 0.759 45.675 -12.442 178 HD11 LEU 29 HD11 LEU 29 2.861 45.116 -13.072 179 HD12 LEU 29 HD12 LEU 29 3.146 46.824 -12.740 180 HD13 LEU 29 HD13 LEU 29 2.894 46.279 -14.398 181 HD21 LEU 29 HD21 LEU 29 1.704 48.181 -12.286 182 HD22 LEU 29 HD22 LEU 29 0.002 47.771 -12.071 183 HD23 LEU 29 HD23 LEU 29 0.575 48.372 -13.628 184 H THR 30 HN THR 30 0.986 43.069 -16.145 185 HA THR 30 HA THR 30 -0.614 43.753 -18.513 186 HB THR 30 HB THR 30 1.190 42.864 -19.862 187 HG1 THR 30 HG1 THR 30 2.964 41.885 -18.950 188 HG21 THR 30 HG21 THR 30 3.011 44.409 -19.221 189 HG22 THR 30 HG22 THR 30 2.209 44.679 -17.673 190 HG23 THR 30 HG23 THR 30 1.425 45.178 -19.172 191 H GLU 31 HN GLU 31 0.109 41.212 -16.303 192 HA GLU 31 HA GLU 31 -1.358 39.303 -18.002 193 HB2 GLU 31 HB1 GLU 31 1.045 38.744 -17.437 194 HB3 GLU 31 HB2 GLU 31 0.534 38.595 -15.761 195 HG2 GLU 31 HG1 GLU 31 0.605 36.416 -16.704 196 HG3 GLU 31 HG2 GLU 31 -1.087 36.851 -16.475 197 H ARG 32 HN ARG 32 -3.406 39.201 -17.356 198 HA ARG 32 HA ARG 32 -4.227 39.823 -14.688 199 HB2 ARG 32 HB1 ARG 32 -5.555 39.065 -17.228 200 HB3 ARG 32 HB2 ARG 32 -6.428 38.691 -15.749 201 HG2 ARG 32 HG1 ARG 32 -5.654 41.257 -15.286 202 HG3 ARG 32 HG2 ARG 32 -5.911 41.266 -17.032 203 HD2 ARG 32 HD1 ARG 32 -8.143 40.171 -16.579 204 HD3 ARG 32 HD2 ARG 32 -7.871 40.524 -14.873 205 HE ARG 32 HE ARG 32 -8.672 42.368 -16.905 206 HH11 ARG 32 HH11 ARG 32 -6.953 42.059 -13.894 207 HH12 ARG 32 HH12 ARG 32 -7.204 43.710 -13.431 208 HH21 ARG 32 HH21 ARG 32 -9.010 44.543 -16.307 209 HH22 ARG 32 HH22 ARG 32 -8.375 45.121 -14.804 210 H ARG 33 HN ARG 33 -5.473 38.366 -13.310 211 HA ARG 33 HA ARG 33 -4.630 35.556 -13.580 212 HB2 ARG 33 HB1 ARG 33 -4.251 35.410 -11.225 213 HB3 ARG 33 HB2 ARG 33 -3.378 36.821 -11.810 214 HG2 ARG 33 HG1 ARG 33 -4.777 38.299 -10.751 215 HG3 ARG 33 HG2 ARG 33 -6.133 37.169 -10.734 216 HD2 ARG 33 HD1 ARG 33 -5.163 35.903 -8.972 217 HD3 ARG 33 HD2 ARG 33 -3.628 36.758 -9.119 218 HE ARG 33 HE ARG 33 -5.575 38.651 -8.530 219 HH11 ARG 33 HH11 ARG 33 -4.115 35.866 -7.036 220 HH12 ARG 33 HH12 ARG 33 -4.342 36.451 -5.421 221 HH21 ARG 33 HH21 ARG 33 -5.880 39.432 -6.408 222 HH22 ARG 33 HH22 ARG 33 -5.346 38.479 -5.065 223 H HIS 34 HN HIS 34 -6.033 33.990 -12.568 224 HA HIS 34 HA HIS 34 -8.599 34.740 -11.566 225 HB2 HIS 34 HB1 HIS 34 -9.605 33.290 -13.623 226 HB3 HIS 34 HB2 HIS 34 -9.550 35.050 -13.599 227 HD1 HIS 34 HD1 HIS 34 -7.814 36.204 -15.128 228 HD2 HIS 34 HD2 HIS 34 -7.838 32.059 -15.410 229 HE1 HIS 34 HE1 HIS 34 -6.465 35.662 -17.179 230 H HIS 35 HN HIS 35 -9.133 33.220 -10.152 231 HA HIS 35 HA HIS 35 -7.805 30.639 -10.249 232 HB2 HIS 35 HB1 HIS 35 -8.830 32.331 -8.195 233 HB3 HIS 35 HB2 HIS 35 -9.666 30.784 -8.095 234 HD1 HIS 35 HD1 HIS 35 -7.420 28.847 -8.757 235 HD2 HIS 35 HD2 HIS 35 -6.947 32.130 -6.255 236 HE1 HIS 35 HE1 HIS 35 -5.443 28.304 -7.301 237 H CYS 36 HN CYS 36 -8.676 29.046 -11.386 238 HA CYS 36 HA CYS 36 -11.255 28.988 -12.430 239 HB2 CYS 36 HB1 CYS 36 -9.328 27.613 -13.228 240 HB3 CYS 36 HB2 CYS 36 -9.525 26.587 -11.811 241 H ARG 37 HN ARG 37 -13.167 28.680 -11.517 242 HA ARG 37 HA ARG 37 -13.376 27.841 -8.775 243 HB2 ARG 37 HB1 ARG 37 -15.724 28.187 -10.611 244 HB3 ARG 37 HB2 ARG 37 -15.615 28.500 -8.884 245 HG2 ARG 37 HG1 ARG 37 -14.307 30.126 -11.055 246 HG3 ARG 37 HG2 ARG 37 -15.762 30.567 -10.158 247 HD2 ARG 37 HD1 ARG 37 -13.534 29.880 -8.420 248 HD3 ARG 37 HD2 ARG 37 -13.165 31.229 -9.493 249 HE ARG 37 HE ARG 37 -15.663 31.729 -8.401 250 HH11 ARG 37 HH11 ARG 37 -12.387 31.348 -7.289 251 HH12 ARG 37 HH12 ARG 37 -12.589 32.399 -5.926 252 HH21 ARG 37 HH21 ARG 37 -15.943 33.114 -6.611 253 HH22 ARG 37 HH22 ARG 37 -14.612 33.402 -5.541 254 H ASN 38 HN ASN 38 -12.870 26.107 -11.456 255 HA ASN 38 HA ASN 38 -14.714 23.935 -10.762 256 HB2 ASN 38 HB1 ASN 38 -13.984 24.945 -13.216 257 HB3 ASN 38 HB2 ASN 38 -12.956 23.522 -13.073 258 HD21 ASN 38 HD21 ASN 38 -16.176 22.595 -14.659 259 HD22 ASN 38 HD22 ASN 38 -14.934 23.749 -14.991 260 H CYS 39 HN CYS 39 -11.275 24.622 -11.245 261 HA CYS 39 HA CYS 39 -10.631 22.053 -9.962 262 HB2 CYS 39 HB1 CYS 39 -8.664 23.786 -11.443 263 HB3 CYS 39 HB2 CYS 39 -8.552 22.068 -11.076 264 H GLY 40 HN GLY 40 -10.035 25.523 -9.871 265 HA2 GLY 40 HA2 GLY 40 -9.717 26.712 -7.843 266 HA3 GLY 40 HA1 GLY 40 -9.149 25.228 -7.093 267 H GLN 41 HN GLN 41 -7.972 26.204 -10.217 268 HA GLN 41 HA GLN 41 -5.374 26.833 -8.978 269 HB2 GLN 41 HB1 GLN 41 -5.855 25.772 -11.765 270 HB3 GLN 41 HB2 GLN 41 -4.301 25.988 -10.971 271 HG2 GLN 41 HG1 GLN 41 -5.876 24.338 -9.306 272 HG3 GLN 41 HG2 GLN 41 -6.020 23.726 -10.953 273 HE21 GLN 41 HE21 GLN 41 -2.983 22.122 -10.804 274 HE22 GLN 41 HE22 GLN 41 -4.593 22.231 -11.420 275 H LEU 42 HN LEU 42 -4.066 28.453 -9.997 276 HA LEU 42 HA LEU 42 -5.688 30.592 -11.148 277 HB2 LEU 42 HB1 LEU 42 -3.270 30.427 -9.519 278 HB3 LEU 42 HB2 LEU 42 -3.156 31.605 -10.826 279 HG LEU 42 HG LEU 42 -5.419 31.592 -8.841 280 HD11 LEU 42 HD11 LEU 42 -3.339 33.629 -8.537 281 HD12 LEU 42 HD12 LEU 42 -2.825 31.995 -8.118 282 HD13 LEU 42 HD13 LEU 42 -4.223 32.712 -7.316 283 HD21 LEU 42 HD21 LEU 42 -4.789 33.080 -11.209 284 HD22 LEU 42 HD22 LEU 42 -4.809 34.155 -9.811 285 HD23 LEU 42 HD23 LEU 42 -6.221 33.166 -10.184 286 H PHE 43 HN PHE 43 -5.622 31.105 -13.232 287 HA PHE 43 HA PHE 43 -3.303 30.238 -14.825 288 HB2 PHE 43 HB1 PHE 43 -6.213 30.123 -15.647 289 HB3 PHE 43 HB2 PHE 43 -4.848 29.769 -16.702 290 HD1 PHE 43 HD1 PHE 43 -3.297 27.857 -16.019 291 HD2 PHE 43 HD2 PHE 43 -7.165 28.454 -14.346 292 HE1 PHE 43 HE1 PHE 43 -3.338 25.509 -15.283 293 HE2 PHE 43 HE2 PHE 43 -7.212 26.108 -13.607 294 HZ PHE 43 HZ PHE 43 -5.296 24.632 -14.074 295 H CYS 44 HN CYS 44 -3.082 31.443 -16.890 296 HA CYS 44 HA CYS 44 -3.613 34.275 -16.416 297 HB2 CYS 44 HB1 CYS 44 -1.947 34.679 -18.170 298 HB3 CYS 44 HB2 CYS 44 -1.306 33.613 -16.924 299 H GLN 45 HN GLN 45 -4.271 35.646 -18.236 300 HA GLN 45 HA GLN 45 -6.664 34.812 -19.389 301 HB2 GLN 45 HB1 GLN 45 -6.681 36.873 -20.564 302 HB3 GLN 45 HB2 GLN 45 -5.875 37.187 -19.033 303 HG2 GLN 45 HG1 GLN 45 -3.710 37.083 -20.129 304 HG3 GLN 45 HG2 GLN 45 -4.492 36.712 -21.664 305 HE21 GLN 45 HE21 GLN 45 -5.419 40.001 -22.370 306 HE22 GLN 45 HE22 GLN 45 -5.627 38.328 -22.745 307 H LYS 46 HN LYS 46 -3.439 34.240 -20.375 308 HA LYS 46 HA LYS 46 -4.160 33.661 -23.134 309 HB2 LYS 46 HB1 LYS 46 -1.830 34.533 -21.921 310 HB3 LYS 46 HB2 LYS 46 -1.490 32.845 -22.279 311 HG2 LYS 46 HG1 LYS 46 -2.391 34.928 -24.258 312 HG3 LYS 46 HG2 LYS 46 -0.756 34.285 -24.087 313 HD2 LYS 46 HD1 LYS 46 -3.174 32.608 -24.746 314 HD3 LYS 46 HD2 LYS 46 -2.071 33.272 -25.953 315 HE2 LYS 46 HE1 LYS 46 -0.653 31.885 -23.842 316 HE3 LYS 46 HE2 LYS 46 -1.832 30.839 -24.633 317 HZ1 LYS 46 HZ1 LYS 46 0.208 32.443 -26.075 318 HZ2 LYS 46 HZ2 LYS 46 -0.839 31.295 -26.745 319 HZ3 LYS 46 HZ3 LYS 46 0.386 30.806 -25.684 320 H CYS 47 HN CYS 47 -4.004 32.053 -20.152 321 HA CYS 47 HA CYS 47 -3.488 29.428 -21.272 322 HB2 CYS 47 HB1 CYS 47 -3.338 30.603 -18.690 323 HB3 CYS 47 HB2 CYS 47 -4.506 29.289 -18.602 324 H SER 48 HN SER 48 -6.193 31.036 -19.600 325 HA SER 48 HA SER 48 -7.995 28.922 -20.506 326 HB2 SER 48 HB1 SER 48 -8.840 31.266 -18.826 327 HB3 SER 48 HB2 SER 48 -9.502 29.632 -18.864 328 HG SER 48 HG SER 48 -7.190 29.128 -18.091 329 H ARG 49 HN ARG 49 -7.471 32.396 -20.826 330 HA ARG 49 HA ARG 49 -8.573 33.979 -22.091 331 HB2 ARG 49 HB1 ARG 49 -8.530 33.315 -24.546 332 HB3 ARG 49 HB2 ARG 49 -6.996 33.245 -23.689 333 HG2 ARG 49 HG1 ARG 49 -7.312 30.809 -23.405 334 HG3 ARG 49 HG2 ARG 49 -8.780 30.921 -24.377 335 HD2 ARG 49 HD1 ARG 49 -6.890 32.213 -25.916 336 HD3 ARG 49 HD2 ARG 49 -5.990 30.875 -25.202 337 HE ARG 49 HE ARG 49 -8.340 29.786 -26.137 338 HH11 ARG 49 HH11 ARG 49 -5.637 31.518 -27.485 339 HH12 ARG 49 HH12 ARG 49 -5.758 30.758 -29.038 340 HH21 ARG 49 HH21 ARG 49 -8.509 28.780 -28.177 341 HH22 ARG 49 HH22 ARG 49 -7.392 29.201 -29.430 342 H PHE 50 HN PHE 50 -10.364 32.036 -20.765 343 HA PHE 50 HA PHE 50 -12.709 32.521 -22.445 344 HB2 PHE 50 HB1 PHE 50 -11.984 29.848 -21.231 345 HB3 PHE 50 HB2 PHE 50 -13.570 30.232 -21.891 346 HD1 PHE 50 HD1 PHE 50 -11.021 28.295 -22.631 347 HD2 PHE 50 HD2 PHE 50 -12.961 31.687 -24.318 348 HE1 PHE 50 HE1 PHE 50 -10.247 27.620 -24.867 349 HE2 PHE 50 HE2 PHE 50 -12.191 31.018 -26.557 350 HZ PHE 50 HZ PHE 50 -10.833 28.982 -26.834 351 H GLN 51 HN GLN 51 -14.766 32.013 -21.159 352 HA GLN 51 HA GLN 51 -14.601 32.117 -18.304 353 HB2 GLN 51 HB1 GLN 51 -14.710 34.600 -19.817 354 HB3 GLN 51 HB2 GLN 51 -16.072 34.438 -18.715 355 HG2 GLN 51 HG1 GLN 51 -14.672 34.300 -16.835 356 HG3 GLN 51 HG2 GLN 51 -13.239 34.020 -17.823 357 HE21 GLN 51 HE21 GLN 51 -13.112 37.482 -18.894 358 HE22 GLN 51 HE22 GLN 51 -13.088 35.898 -19.584 359 H SER 52 HN SER 52 -16.382 31.223 -17.478 360 HA SER 52 HA SER 52 -19.005 31.667 -18.405 361 HB2 SER 52 HB1 SER 52 -17.574 29.774 -19.944 362 HB3 SER 52 HB2 SER 52 -18.705 28.859 -18.948 363 HG SER 52 HG SER 52 -19.199 30.709 -20.971 364 H GLU 53 HN GLU 53 -20.518 29.841 -17.490 365 HA GLU 53 HA GLU 53 -19.893 29.649 -14.691 366 HB2 GLU 53 HB1 GLU 53 -22.145 28.475 -14.606 367 HB3 GLU 53 HB2 GLU 53 -22.152 30.137 -15.180 368 HG2 GLU 53 HG1 GLU 53 -21.808 28.407 -17.412 369 HG3 GLU 53 HG2 GLU 53 -23.172 27.836 -16.452 370 H ILE 54 HN ILE 54 -20.580 27.447 -13.616 371 HA ILE 54 HA ILE 54 -19.382 25.216 -15.106 372 HB ILE 54 HB ILE 54 -18.743 25.921 -12.239 373 HG12 ILE 54 HG11 ILE 54 -16.738 25.712 -14.458 374 HG13 ILE 54 HG12 ILE 54 -17.664 27.195 -14.260 375 HG21 ILE 54 HG21 ILE 54 -17.223 24.007 -12.314 376 HG22 ILE 54 HG22 ILE 54 -18.894 23.514 -12.579 377 HG23 ILE 54 HG23 ILE 54 -17.782 23.626 -13.942 378 HD11 ILE 54 HD11 ILE 54 -16.823 26.863 -11.744 379 HD12 ILE 54 HD12 ILE 54 -15.503 26.072 -12.606 380 HD13 ILE 54 HD13 ILE 54 -15.911 27.749 -12.966 381 H LYS 55 HN LYS 55 -21.509 24.436 -15.425 382 HA LYS 55 HA LYS 55 -23.364 23.982 -13.356 383 HB2 LYS 55 HB1 LYS 55 -23.471 23.822 -16.052 384 HB3 LYS 55 HB2 LYS 55 -23.375 22.112 -15.650 385 HG2 LYS 55 HG1 LYS 55 -25.526 22.084 -15.145 386 HG3 LYS 55 HG2 LYS 55 -25.285 23.347 -13.936 387 HD2 LYS 55 HD1 LYS 55 -25.618 23.899 -16.879 388 HD3 LYS 55 HD2 LYS 55 -26.959 23.888 -15.732 389 HE2 LYS 55 HE1 LYS 55 -25.669 25.604 -14.402 390 HE3 LYS 55 HE2 LYS 55 -24.574 25.726 -15.779 391 HZ1 LYS 55 HZ1 LYS 55 -26.199 26.658 -17.099 392 HZ2 LYS 55 HZ2 LYS 55 -26.543 27.351 -15.595 393 HZ3 LYS 55 HZ3 LYS 55 -27.475 26.059 -16.164 394 H ARG 56 HN ARG 56 -20.572 22.224 -14.412 395 HA ARG 56 HA ARG 56 -21.209 19.685 -13.373 396 HB2 ARG 56 HB1 ARG 56 -19.383 19.911 -14.917 397 HB3 ARG 56 HB2 ARG 56 -18.554 21.039 -13.852 398 HG2 ARG 56 HG1 ARG 56 -18.067 19.323 -12.280 399 HG3 ARG 56 HG2 ARG 56 -19.115 18.178 -13.119 400 HD2 ARG 56 HD1 ARG 56 -17.057 19.331 -14.833 401 HD3 ARG 56 HD2 ARG 56 -16.399 18.436 -13.465 402 HE ARG 56 HE ARG 56 -18.401 16.881 -14.636 403 HH11 ARG 56 HH11 ARG 56 -15.245 18.136 -15.403 404 HH12 ARG 56 HH12 ARG 56 -14.842 16.831 -16.468 405 HH21 ARG 56 HH21 ARG 56 -17.882 15.158 -16.036 406 HH22 ARG 56 HH22 ARG 56 -16.343 15.138 -16.829 407 H LEU 57 HN LEU 57 -20.447 22.625 -11.832 408 HA LEU 57 HA LEU 57 -19.984 21.205 -9.291 409 HB2 LEU 57 HB1 LEU 57 -18.604 23.455 -10.536 410 HB3 LEU 57 HB2 LEU 57 -19.092 23.771 -8.872 411 HG LEU 57 HG LEU 57 -17.825 21.844 -8.109 412 HD11 LEU 57 HD11 LEU 57 -17.523 21.370 -11.032 413 HD12 LEU 57 HD12 LEU 57 -17.837 20.226 -9.727 414 HD13 LEU 57 HD13 LEU 57 -16.217 20.886 -9.949 415 HD21 LEU 57 HD21 LEU 57 -16.613 24.082 -9.568 416 HD22 LEU 57 HD22 LEU 57 -15.537 22.712 -9.293 417 HD23 LEU 57 HD23 LEU 57 -16.324 23.504 -7.927 418 H LYS 58 HN LYS 58 -22.450 22.287 -10.755 419 HA LYS 58 HA LYS 58 -24.484 23.072 -10.087 420 HB2 LYS 58 HB1 LYS 58 -23.365 23.634 -7.353 421 HB3 LYS 58 HB2 LYS 58 -25.017 23.228 -7.799 422 HG2 LYS 58 HG1 LYS 58 -23.621 21.024 -8.634 423 HG3 LYS 58 HG2 LYS 58 -22.767 21.492 -7.161 424 HD2 LYS 58 HD1 LYS 58 -24.620 21.163 -5.824 425 HD3 LYS 58 HD2 LYS 58 -25.752 21.390 -7.159 426 HE2 LYS 58 HE1 LYS 58 -24.825 19.227 -8.114 427 HE3 LYS 58 HE2 LYS 58 -24.043 18.991 -6.552 428 HZ1 LYS 58 HZ1 LYS 58 -26.113 18.873 -5.473 429 HZ2 LYS 58 HZ2 LYS 58 -26.272 17.901 -6.848 430 HZ3 LYS 58 HZ3 LYS 58 -26.956 19.448 -6.822 431 H ILE 59 HN ILE 59 -22.221 24.771 -11.028 432 HA ILE 59 HA ILE 59 -23.024 27.356 -9.878 433 HB ILE 59 HB ILE 59 -20.615 26.760 -11.598 434 HG12 ILE 59 HG11 ILE 59 -20.826 27.129 -8.602 435 HG13 ILE 59 HG12 ILE 59 -20.454 25.623 -9.433 436 HG21 ILE 59 HG21 ILE 59 -19.869 28.962 -11.046 437 HG22 ILE 59 HG22 ILE 59 -21.516 29.086 -11.662 438 HG23 ILE 59 HG23 ILE 59 -21.213 29.194 -9.928 439 HD11 ILE 59 HD11 ILE 59 -18.464 26.957 -10.416 440 HD12 ILE 59 HD12 ILE 59 -18.759 28.045 -9.059 441 HD13 ILE 59 HD13 ILE 59 -18.379 26.348 -8.764 442 H SER 60 HN SER 60 -24.571 28.339 -10.992 443 HA SER 60 HA SER 60 -24.846 27.865 -13.855 444 HB2 SER 60 HB1 SER 60 -26.638 28.535 -11.696 445 HB3 SER 60 HB2 SER 60 -26.806 29.703 -13.007 446 HG SER 60 HG SER 60 -27.894 28.227 -14.009 447 H SER 61 HN SER 61 -23.822 30.326 -11.636 448 HA SER 61 HA SER 61 -23.966 32.494 -13.510 449 HB2 SER 61 HB1 SER 61 -22.087 32.935 -11.349 450 HB3 SER 61 HB2 SER 61 -23.614 33.752 -11.686 451 HG SER 61 HG SER 61 -23.286 32.375 -9.651 452 HA PRO 62 HA PRO 62 -20.202 31.847 -15.688 453 HB2 PRO 62 HB1 PRO 62 -19.657 34.404 -16.418 454 HB3 PRO 62 HB2 PRO 62 -20.947 33.448 -17.157 455 HG2 PRO 62 HG1 PRO 62 -21.122 35.525 -15.009 456 HG3 PRO 62 HG2 PRO 62 -22.173 35.279 -16.416 457 HD2 PRO 62 HD1 PRO 62 -22.844 34.440 -13.930 458 HD3 PRO 62 HD2 PRO 62 -23.347 33.576 -15.398 459 H VAL 63 HN VAL 63 -18.272 31.423 -14.837 460 HA VAL 63 HA VAL 63 -16.936 33.483 -13.229 461 HB VAL 63 HB VAL 63 -16.186 31.879 -11.586 462 HG11 VAL 63 HG11 VAL 63 -18.031 32.204 -10.386 463 HG12 VAL 63 HG12 VAL 63 -18.810 32.775 -11.862 464 HG13 VAL 63 HG13 VAL 63 -18.953 31.083 -11.387 465 HG21 VAL 63 HG21 VAL 63 -17.425 29.934 -13.455 466 HG22 VAL 63 HG22 VAL 63 -15.935 29.813 -12.519 467 HG23 VAL 63 HG23 VAL 63 -17.494 29.574 -11.730 468 H ARG 64 HN ARG 64 -14.589 32.487 -12.692 469 HA ARG 64 HA ARG 64 -13.285 32.326 -15.214 470 HB2 ARG 64 HB1 ARG 64 -12.029 31.694 -12.548 471 HB3 ARG 64 HB2 ARG 64 -11.247 32.318 -13.994 472 HG2 ARG 64 HG1 ARG 64 -12.058 34.459 -13.669 473 HG3 ARG 64 HG2 ARG 64 -13.379 33.909 -12.636 474 HD2 ARG 64 HD1 ARG 64 -12.040 33.736 -10.783 475 HD3 ARG 64 HD2 ARG 64 -10.582 33.449 -11.732 476 HE ARG 64 HE ARG 64 -10.247 35.720 -11.859 477 HH11 ARG 64 HH11 ARG 64 -13.443 35.072 -10.641 478 HH12 ARG 64 HH12 ARG 64 -13.749 36.719 -10.197 479 HH21 ARG 64 HH21 ARG 64 -10.638 37.891 -11.279 480 HH22 ARG 64 HH22 ARG 64 -12.153 38.321 -10.562 481 H VAL 65 HN VAL 65 -12.559 30.614 -16.337 482 HA VAL 65 HA VAL 65 -12.333 28.003 -15.079 483 HB VAL 65 HB VAL 65 -13.757 26.862 -16.675 484 HG11 VAL 65 HG11 VAL 65 -15.372 29.125 -15.532 485 HG12 VAL 65 HG12 VAL 65 -15.858 27.446 -15.775 486 HG13 VAL 65 HG13 VAL 65 -14.677 27.853 -14.528 487 HG21 VAL 65 HG21 VAL 65 -13.521 28.296 -18.593 488 HG22 VAL 65 HG22 VAL 65 -15.233 28.165 -18.188 489 HG23 VAL 65 HG23 VAL 65 -14.334 29.618 -17.754 490 H CYS 66 HN CYS 66 -10.758 26.792 -15.972 491 HA CYS 66 HA CYS 66 -9.037 27.966 -17.910 492 HB2 CYS 66 HB1 CYS 66 -7.783 25.822 -17.740 493 HB3 CYS 66 HB2 CYS 66 -8.107 26.562 -16.175 494 H GLN 67 HN GLN 67 -8.402 27.007 -19.949 495 HA GLN 67 HA GLN 67 -10.470 26.612 -21.723 496 HB2 GLN 67 HB1 GLN 67 -8.363 27.174 -22.622 497 HB3 GLN 67 HB2 GLN 67 -7.572 25.813 -21.838 498 HG2 GLN 67 HG1 GLN 67 -8.734 24.269 -23.316 499 HG3 GLN 67 HG2 GLN 67 -9.562 25.620 -24.088 500 HE21 GLN 67 HE21 GLN 67 -6.113 24.418 -25.534 501 HE22 GLN 67 HE22 GLN 67 -7.175 23.501 -24.526 502 H ASN 68 HN ASN 68 -8.565 24.168 -20.008 503 HA ASN 68 HA ASN 68 -9.584 21.888 -21.233 504 HB2 ASN 68 HB1 ASN 68 -7.898 22.456 -19.057 505 HB3 ASN 68 HB2 ASN 68 -9.180 21.438 -18.408 506 HD21 ASN 68 HD21 ASN 68 -8.376 18.702 -20.626 507 HD22 ASN 68 HD22 ASN 68 -9.749 19.606 -20.094 508 H CYS 69 HN CYS 69 -10.953 23.937 -18.754 509 HA CYS 69 HA CYS 69 -13.132 22.096 -18.218 510 HB2 CYS 69 HB1 CYS 69 -12.283 24.753 -17.118 511 HB3 CYS 69 HB2 CYS 69 -13.920 24.171 -16.832 512 H TYR 70 HN TYR 70 -12.777 25.390 -19.525 513 HA TYR 70 HA TYR 70 -15.386 25.930 -20.179 514 HB2 TYR 70 HB1 TYR 70 -13.491 27.515 -20.433 515 HB3 TYR 70 HB2 TYR 70 -12.974 26.631 -21.865 516 HD1 TYR 70 HD1 TYR 70 -15.614 28.793 -20.464 517 HD2 TYR 70 HD2 TYR 70 -14.069 26.937 -23.967 518 HE1 TYR 70 HE1 TYR 70 -17.096 30.184 -21.848 519 HE2 TYR 70 HE2 TYR 70 -15.546 28.324 -25.361 520 HH TYR 70 HH TYR 70 -17.279 31.002 -24.102 521 H TYR 71 HN TYR 71 -12.989 24.264 -22.213 522 HA TYR 71 HA TYR 71 -14.525 23.822 -24.460 523 HB2 TYR 71 HB1 TYR 71 -12.101 22.731 -23.327 524 HB3 TYR 71 HB2 TYR 71 -13.036 21.468 -24.120 525 HD1 TYR 71 HD1 TYR 71 -10.671 24.040 -24.595 526 HD2 TYR 71 HD2 TYR 71 -13.901 22.055 -26.526 527 HE1 TYR 71 HE1 TYR 71 -9.821 24.792 -26.777 528 HE2 TYR 71 HE2 TYR 71 -13.060 22.800 -28.713 529 HH TYR 71 HH TYR 71 -10.109 24.765 -28.975 530 H ASN 72 HN ASN 72 -14.518 22.077 -21.409 531 HA ASN 72 HA ASN 72 -16.357 20.064 -22.383 532 HB2 ASN 72 HB1 ASN 72 -14.630 20.400 -20.083 533 HB3 ASN 72 HB2 ASN 72 -16.246 19.904 -19.588 534 HD21 ASN 72 HD21 ASN 72 -16.057 16.848 -21.543 535 HD22 ASN 72 HD22 ASN 72 -17.116 18.199 -21.344 536 H LEU 73 HN LEU 73 -16.495 23.116 -20.783 537 HA LEU 73 HA LEU 73 -19.085 22.782 -19.617 538 HB2 LEU 73 HB1 LEU 73 -17.396 25.202 -20.200 539 HB3 LEU 73 HB2 LEU 73 -18.982 25.299 -19.437 540 HG LEU 73 HG LEU 73 -16.666 23.750 -18.287 541 HD11 LEU 73 HD11 LEU 73 -15.916 25.969 -18.249 542 HD12 LEU 73 HD12 LEU 73 -16.623 25.707 -16.655 543 HD13 LEU 73 HD13 LEU 73 -17.522 26.599 -17.882 544 HD21 LEU 73 HD21 LEU 73 -18.665 22.921 -17.386 545 HD22 LEU 73 HD22 LEU 73 -19.395 24.525 -17.300 546 HD23 LEU 73 HD23 LEU 73 -18.089 24.090 -16.197 547 H GLN 74 HN GLN 74 -17.866 23.793 -22.714 548 HA GLN 74 HA GLN 74 -20.402 24.897 -23.569 549 HB2 GLN 74 HB1 GLN 74 -17.932 24.315 -25.210 550 HB3 GLN 74 HB2 GLN 74 -19.295 25.320 -25.686 551 HG2 GLN 74 HG1 GLN 74 -17.610 25.949 -23.286 552 HG3 GLN 74 HG2 GLN 74 -17.190 26.502 -24.906 553 HE21 GLN 74 HE21 GLN 74 -20.198 28.234 -22.807 554 HE22 GLN 74 HE22 GLN 74 -19.423 26.790 -22.263 555 H HIS 75 HN HIS 75 -18.628 21.907 -23.837 556 HA HIS 75 HA HIS 75 -20.278 20.813 -25.919 557 HB2 HIS 75 HB1 HIS 75 -18.071 19.788 -24.182 558 HB3 HIS 75 HB2 HIS 75 -19.106 18.627 -25.009 559 HD1 HIS 75 HD1 HIS 75 -18.142 21.870 -26.625 560 HD2 HIS 75 HD2 HIS 75 -17.117 17.848 -26.793 561 HE1 HIS 75 HE1 HIS 75 -16.695 21.631 -28.667 562 H GLU 76 HN GLU 76 -20.332 20.905 -22.447 563 HA GLU 76 HA GLU 76 -22.228 18.756 -22.164 564 HB2 GLU 76 HB1 GLU 76 -22.252 19.323 -19.816 565 HB3 GLU 76 HB2 GLU 76 -20.591 19.322 -20.391 566 HG2 GLU 76 HG1 GLU 76 -20.571 21.728 -20.480 567 HG3 GLU 76 HG2 GLU 76 -22.278 21.789 -20.046 568 H ARG 77 HN ARG 77 -22.338 22.191 -22.624 569 HA ARG 77 HA ARG 77 -25.250 22.167 -22.188 570 HB2 ARG 77 HB1 ARG 77 -23.190 24.341 -21.955 571 HB3 ARG 77 HB2 ARG 77 -24.886 24.735 -22.200 572 HG2 ARG 77 HG1 ARG 77 -25.115 23.024 -20.148 573 HG3 ARG 77 HG2 ARG 77 -23.509 23.678 -19.821 574 HD2 ARG 77 HD1 ARG 77 -25.141 25.011 -18.666 575 HD3 ARG 77 HD2 ARG 77 -24.458 25.961 -19.986 576 HE ARG 77 HE ARG 77 -26.882 24.589 -20.689 577 HH11 ARG 77 HH11 ARG 77 -25.533 27.463 -19.261 578 HH12 ARG 77 HH12 ARG 77 -26.924 28.439 -19.595 579 HH21 ARG 77 HH21 ARG 77 -28.720 25.865 -21.135 580 HH22 ARG 77 HH22 ARG 77 -28.737 27.529 -20.660 581 H GLY 78 HN GLY 78 -25.673 21.289 -24.271 582 HA2 GLY 78 HA2 GLY 78 -26.693 22.061 -26.310 583 HA3 GLY 78 HA1 GLY 78 -25.464 23.313 -26.401 Start of MODEL 5 1 H1 SER 1 HN SER 1 29.244 15.206 -2.972 2 HA SER 1 HA SER 1 31.797 16.480 -3.076 3 HB2 SER 1 HB1 SER 1 31.363 15.965 -5.504 4 HB3 SER 1 HB2 SER 1 29.956 17.024 -5.413 5 HG SER 1 HG SER 1 32.679 17.657 -5.323 6 H ASN 2 HN ASN 2 29.947 16.584 -1.129 7 HA ASN 2 HA ASN 2 28.771 18.007 0.199 8 HB2 ASN 2 HB1 ASN 2 29.865 20.133 -1.657 9 HB3 ASN 2 HB2 ASN 2 29.176 20.410 -0.060 10 HD21 ASN 2 HD21 ASN 2 33.005 19.211 -0.511 11 HD22 ASN 2 HD22 ASN 2 31.926 19.382 -1.850 12 H ALA 3 HN ALA 3 27.196 20.119 -0.096 13 HA ALA 3 HA ALA 3 25.658 20.311 -2.429 14 HB1 ALA 3 HB1 ALA 3 23.860 18.937 -0.605 15 HB2 ALA 3 HB2 ALA 3 24.119 18.700 -2.334 16 HB3 ALA 3 HB3 ALA 3 25.178 17.908 -1.167 17 H GLY 4 HN GLY 4 23.225 21.025 -1.656 18 HA2 GLY 4 HA2 GLY 4 23.597 22.873 0.615 19 HA3 GLY 4 HA1 GLY 4 22.953 23.444 -0.917 20 H ARG 5 HN ARG 5 20.849 23.802 -0.759 21 HA ARG 5 HA ARG 5 18.996 21.770 -0.151 22 HB2 ARG 5 HB1 ARG 5 18.081 22.529 1.938 23 HB3 ARG 5 HB2 ARG 5 19.804 22.254 2.159 24 HG2 ARG 5 HG1 ARG 5 19.624 24.250 3.212 25 HG3 ARG 5 HG2 ARG 5 19.909 24.836 1.572 26 HD2 ARG 5 HD1 ARG 5 18.049 26.044 1.910 27 HD3 ARG 5 HD2 ARG 5 17.208 24.532 1.573 28 HE ARG 5 HE ARG 5 16.515 24.511 3.742 29 HH11 ARG 5 HH11 ARG 5 19.340 26.532 3.506 30 HH12 ARG 5 HH12 ARG 5 19.273 27.043 5.160 31 HH21 ARG 5 HH21 ARG 5 16.417 25.175 5.922 32 HH22 ARG 5 HH22 ARG 5 17.610 26.269 6.534 33 H SER 6 HN SER 6 16.746 22.561 -0.191 34 HA SER 6 HA SER 6 16.028 25.207 -0.731 35 HB2 SER 6 HB1 SER 6 17.455 24.269 -2.851 36 HB3 SER 6 HB2 SER 6 15.818 23.825 -3.333 37 HG SER 6 HG SER 6 15.940 25.851 -4.032 38 H ALA 7 HN ALA 7 13.846 25.209 -2.082 39 HA ALA 7 HA ALA 7 12.266 22.902 -1.146 40 HB1 ALA 7 HB1 ALA 7 11.109 24.351 0.078 41 HB2 ALA 7 HB2 ALA 7 11.941 25.724 -0.653 42 HB3 ALA 7 HB3 ALA 7 10.509 25.046 -1.428 43 H ALA 8 HN ALA 8 10.528 22.210 -2.446 44 HA ALA 8 HA ALA 8 10.759 23.032 -5.264 45 HB1 ALA 8 HB1 ALA 8 10.264 20.408 -3.958 46 HB2 ALA 8 HB2 ALA 8 9.529 20.713 -5.532 47 HB3 ALA 8 HB3 ALA 8 11.280 20.810 -5.343 48 H ASP 9 HN ASP 9 8.693 22.964 -2.555 49 HA ASP 9 HA ASP 9 6.452 23.844 -4.242 50 HB2 ASP 9 HB1 ASP 9 6.416 21.424 -3.028 51 HB3 ASP 9 HB2 ASP 9 5.740 22.425 -1.746 52 H HIS 10 HN HIS 10 8.239 25.583 -3.079 53 HA HIS 10 HA HIS 10 6.512 27.226 -1.538 54 HB2 HIS 10 HB1 HIS 10 7.283 25.566 0.192 55 HB3 HIS 10 HB2 HIS 10 8.920 26.170 -0.049 56 HD1 HIS 10 HD1 HIS 10 5.664 28.093 0.384 57 HD2 HIS 10 HD2 HIS 10 9.405 27.678 2.143 58 HE1 HIS 10 HE1 HIS 10 5.729 29.795 2.234 59 H TRP 11 HN TRP 11 7.342 28.211 -3.638 60 HA TRP 11 HA TRP 11 9.861 29.651 -3.117 61 HB2 TRP 11 HB1 TRP 11 9.442 28.022 -5.222 62 HB3 TRP 11 HB2 TRP 11 8.818 29.528 -5.891 63 HD1 TRP 11 HD1 TRP 11 10.690 31.697 -5.498 64 HE1 TRP 11 HE1 TRP 11 13.208 31.631 -6.025 65 HE3 TRP 11 HE3 TRP 11 11.393 26.633 -5.463 66 HZ2 TRP 11 HZ2 TRP 11 15.226 29.688 -6.380 67 HZ3 TRP 11 HZ3 TRP 11 13.647 25.753 -5.907 68 HH2 TRP 11 HH2 TRP 11 15.522 27.250 -6.356 69 H VAL 12 HN VAL 12 7.129 30.348 -2.263 70 HA VAL 12 HA VAL 12 7.190 33.103 -2.844 71 HB VAL 12 HB VAL 12 6.291 32.160 -5.034 72 HG11 VAL 12 HG11 VAL 12 3.966 31.522 -5.116 73 HG12 VAL 12 HG12 VAL 12 4.817 30.472 -3.980 74 HG13 VAL 12 HG13 VAL 12 3.798 31.780 -3.379 75 HG21 VAL 12 HG21 VAL 12 5.827 34.507 -3.739 76 HG22 VAL 12 HG22 VAL 12 5.327 34.157 -5.394 77 HG23 VAL 12 HG23 VAL 12 4.184 33.955 -4.066 78 H LYS 13 HN LYS 13 5.393 34.279 -1.852 79 HA LYS 13 HA LYS 13 3.820 32.683 0.046 80 HB2 LYS 13 HB1 LYS 13 4.278 34.541 1.742 81 HB3 LYS 13 HB2 LYS 13 5.580 33.401 1.430 82 HG2 LYS 13 HG1 LYS 13 6.847 34.955 0.288 83 HG3 LYS 13 HG2 LYS 13 5.451 35.966 -0.093 84 HD2 LYS 13 HD1 LYS 13 5.489 37.015 1.928 85 HD3 LYS 13 HD2 LYS 13 6.122 35.600 2.773 86 HE2 LYS 13 HE1 LYS 13 7.796 37.150 0.822 87 HE3 LYS 13 HE2 LYS 13 7.657 37.641 2.509 88 HZ1 LYS 13 HZ1 LYS 13 8.201 34.949 2.577 89 HZ2 LYS 13 HZ2 LYS 13 9.276 36.206 2.930 90 HZ3 LYS 13 HZ3 LYS 13 9.218 35.556 1.369 91 H ASP 14 HN ASP 14 1.967 33.045 -1.181 92 HA ASP 14 HA ASP 14 0.815 35.705 -0.841 93 HB2 ASP 14 HB1 ASP 14 1.783 34.787 -3.337 94 HB3 ASP 14 HB2 ASP 14 0.024 34.726 -3.420 95 H GLU 15 HN GLU 15 0.452 32.970 0.286 96 HA GLU 15 HA GLU 15 -1.348 31.853 1.157 97 HB2 GLU 15 HB1 GLU 15 -3.280 32.979 1.271 98 HB3 GLU 15 HB2 GLU 15 -2.495 34.223 0.308 99 HG2 GLU 15 HG1 GLU 15 -3.330 33.127 -1.735 100 HG3 GLU 15 HG2 GLU 15 -4.178 31.955 -0.729 101 H GLY 16 HN GLY 16 -1.299 32.428 -2.321 102 HA2 GLY 16 HA2 GLY 16 -2.065 29.599 -2.704 103 HA3 GLY 16 HA1 GLY 16 -2.620 30.877 -3.776 104 H GLY 17 HN GLY 17 -0.539 32.309 -4.462 105 HA2 GLY 17 HA2 GLY 17 1.960 31.299 -4.833 106 HA3 GLY 17 HA1 GLY 17 1.011 30.491 -6.072 107 H ASP 18 HN ASP 18 -0.765 32.778 -6.468 108 HA ASP 18 HA ASP 18 -0.932 34.550 -7.885 109 HB2 ASP 18 HB1 ASP 18 1.587 35.214 -6.377 110 HB3 ASP 18 HB2 ASP 18 0.955 36.287 -7.622 111 H SER 19 HN SER 19 0.131 32.196 -8.998 112 HA SER 19 HA SER 19 1.504 33.328 -11.288 113 HB2 SER 19 HB1 SER 19 2.731 30.954 -9.875 114 HB3 SER 19 HB2 SER 19 3.387 31.847 -11.248 115 HG SER 19 HG SER 19 4.275 32.364 -9.108 116 H CYS 20 HN CYS 20 1.036 32.280 -13.161 117 HA CYS 20 HA CYS 20 -1.202 30.698 -13.388 118 HB2 CYS 20 HB1 CYS 20 -0.049 31.911 -15.252 119 HB3 CYS 20 HB2 CYS 20 1.156 30.627 -15.280 120 H SER 21 HN SER 21 -1.507 28.467 -13.923 121 HA SER 21 HA SER 21 0.401 26.735 -12.527 122 HB2 SER 21 HB1 SER 21 -2.455 26.844 -12.663 123 HB3 SER 21 HB2 SER 21 -1.921 25.287 -13.296 124 HG SER 21 HG SER 21 -0.587 25.190 -11.324 125 H GLY 22 HN GLY 22 -1.048 27.309 -15.650 126 HA2 GLY 22 HA2 GLY 22 0.197 24.895 -16.752 127 HA3 GLY 22 HA1 GLY 22 -0.961 25.930 -17.576 128 H CYS 23 HN CYS 23 1.059 28.059 -16.224 129 HA CYS 23 HA CYS 23 3.053 27.930 -18.379 130 HB2 CYS 23 HB1 CYS 23 1.412 30.340 -17.580 131 HB3 CYS 23 HB2 CYS 23 2.843 30.424 -18.603 132 H SER 24 HN SER 24 2.187 28.808 -15.142 133 HA SER 24 HA SER 24 3.459 29.187 -13.288 134 HB2 SER 24 HB1 SER 24 6.034 28.929 -14.770 135 HB3 SER 24 HB2 SER 24 5.583 28.308 -13.183 136 HG SER 24 HG SER 24 5.791 26.697 -14.881 137 H VAL 25 HN VAL 25 3.058 31.148 -15.707 138 HA VAL 25 HA VAL 25 5.130 33.087 -15.403 139 HB VAL 25 HB VAL 25 3.954 33.086 -17.473 140 HG11 VAL 25 HG11 VAL 25 1.863 32.273 -17.368 141 HG12 VAL 25 HG12 VAL 25 1.593 32.903 -15.741 142 HG13 VAL 25 HG13 VAL 25 1.403 33.960 -17.141 143 HG21 VAL 25 HG21 VAL 25 4.490 35.325 -16.168 144 HG22 VAL 25 HG22 VAL 25 3.691 35.338 -17.740 145 HG23 VAL 25 HG23 VAL 25 2.740 35.514 -16.266 146 H ARG 26 HN ARG 26 5.327 34.685 -13.965 147 HA ARG 26 HA ARG 26 3.571 34.841 -11.732 148 HB2 ARG 26 HB1 ARG 26 5.619 36.927 -12.441 149 HB3 ARG 26 HB2 ARG 26 5.066 36.433 -10.847 150 HG2 ARG 26 HG1 ARG 26 6.812 34.865 -12.729 151 HG3 ARG 26 HG2 ARG 26 7.279 35.597 -11.193 152 HD2 ARG 26 HD1 ARG 26 5.085 33.967 -10.608 153 HD3 ARG 26 HD2 ARG 26 6.086 33.027 -11.714 154 HE ARG 26 HE ARG 26 6.680 33.691 -8.999 155 HH11 ARG 26 HH11 ARG 26 8.092 33.014 -12.109 156 HH12 ARG 26 HH12 ARG 26 9.593 32.454 -11.451 157 HH21 ARG 26 HH21 ARG 26 8.653 32.956 -8.121 158 HH22 ARG 26 HH22 ARG 26 9.911 32.421 -9.182 159 H PHE 27 HN PHE 27 1.626 35.743 -11.805 160 HA PHE 27 HA PHE 27 0.647 37.417 -13.790 161 HB2 PHE 27 HB1 PHE 27 -0.286 37.285 -10.915 162 HB3 PHE 27 HB2 PHE 27 -1.221 37.874 -12.285 163 HD1 PHE 27 HD1 PHE 27 -0.921 35.231 -10.152 164 HD2 PHE 27 HD2 PHE 27 -1.159 36.034 -14.325 165 HE1 PHE 27 HE1 PHE 27 -1.775 32.956 -10.538 166 HE2 PHE 27 HE2 PHE 27 -2.014 33.761 -14.717 167 HZ PHE 27 HZ PHE 27 -2.324 32.219 -12.822 168 H SER 28 HN SER 28 0.253 39.639 -13.909 169 HA SER 28 HA SER 28 1.242 41.439 -11.899 170 HB2 SER 28 HB1 SER 28 2.671 41.300 -14.565 171 HB3 SER 28 HB2 SER 28 2.930 42.529 -13.328 172 HG SER 28 HG SER 28 4.467 40.792 -13.266 173 H LEU 29 HN LEU 29 1.439 43.761 -13.239 174 HA LEU 29 HA LEU 29 -1.204 44.495 -13.725 175 HB2 LEU 29 HB1 LEU 29 1.163 45.937 -14.882 176 HB3 LEU 29 HB2 LEU 29 -0.381 46.611 -14.365 177 HG LEU 29 HG LEU 29 0.588 45.549 -12.037 178 HD11 LEU 29 HD11 LEU 29 2.860 45.872 -11.812 179 HD12 LEU 29 HD12 LEU 29 2.956 46.934 -13.216 180 HD13 LEU 29 HD13 LEU 29 2.748 45.197 -13.438 181 HD21 LEU 29 HD21 LEU 29 1.418 48.062 -11.784 182 HD22 LEU 29 HD22 LEU 29 -0.293 47.632 -11.811 183 HD23 LEU 29 HD23 LEU 29 0.487 48.243 -13.271 184 H THR 30 HN THR 30 1.140 43.073 -15.817 185 HA THR 30 HA THR 30 -0.442 43.706 -18.200 186 HB THR 30 HB THR 30 1.424 42.748 -19.485 187 HG1 THR 30 HG1 THR 30 3.183 41.899 -18.471 188 HG21 THR 30 HG21 THR 30 2.046 44.899 -19.416 189 HG22 THR 30 HG22 THR 30 3.206 44.406 -18.183 190 HG23 THR 30 HG23 THR 30 1.634 45.047 -17.708 191 H GLU 31 HN GLU 31 0.243 41.146 -15.999 192 HA GLU 31 HA GLU 31 -1.138 39.236 -17.768 193 HB2 GLU 31 HB1 GLU 31 1.245 38.705 -17.084 194 HB3 GLU 31 HB2 GLU 31 0.646 38.528 -15.441 195 HG2 GLU 31 HG1 GLU 31 0.848 36.373 -16.520 196 HG3 GLU 31 HG2 GLU 31 -0.840 36.737 -16.167 197 H ARG 32 HN ARG 32 -3.213 39.111 -17.219 198 HA ARG 32 HA ARG 32 -4.160 39.706 -14.585 199 HB2 ARG 32 HB1 ARG 32 -5.364 38.974 -17.192 200 HB3 ARG 32 HB2 ARG 32 -6.303 38.572 -15.761 201 HG2 ARG 32 HG1 ARG 32 -5.592 41.128 -15.209 202 HG3 ARG 32 HG2 ARG 32 -5.721 41.178 -16.968 203 HD2 ARG 32 HD1 ARG 32 -7.970 40.586 -16.944 204 HD3 ARG 32 HD2 ARG 32 -7.874 39.913 -15.318 205 HE ARG 32 HE ARG 32 -7.317 42.613 -15.090 206 HH11 ARG 32 HH11 ARG 32 -9.973 40.617 -16.129 207 HH12 ARG 32 HH12 ARG 32 -11.186 41.766 -15.670 208 HH21 ARG 32 HH21 ARG 32 -8.904 44.134 -14.482 209 HH22 ARG 32 HH22 ARG 32 -10.577 43.767 -14.735 210 H ARG 33 HN ARG 33 -5.399 38.245 -13.241 211 HA ARG 33 HA ARG 33 -4.611 35.424 -13.549 212 HB2 ARG 33 HB1 ARG 33 -4.211 35.238 -11.196 213 HB3 ARG 33 HB2 ARG 33 -3.296 36.620 -11.783 214 HG2 ARG 33 HG1 ARG 33 -4.653 38.145 -10.716 215 HG3 ARG 33 HG2 ARG 33 -6.020 37.031 -10.640 216 HD2 ARG 33 HD1 ARG 33 -4.985 35.759 -8.910 217 HD3 ARG 33 HD2 ARG 33 -3.461 36.625 -9.106 218 HE ARG 33 HE ARG 33 -4.286 38.299 -7.783 219 HH11 ARG 33 HH11 ARG 33 -6.923 36.298 -8.860 220 HH12 ARG 33 HH12 ARG 33 -8.095 37.069 -7.844 221 HH21 ARG 33 HH21 ARG 33 -5.819 39.322 -6.440 222 HH22 ARG 33 HH22 ARG 33 -7.466 38.790 -6.468 223 H HIS 34 HN HIS 34 -6.034 33.884 -12.504 224 HA HIS 34 HA HIS 34 -8.568 34.693 -11.470 225 HB2 HIS 34 HB1 HIS 34 -9.628 33.265 -13.523 226 HB3 HIS 34 HB2 HIS 34 -9.546 35.024 -13.486 227 HD1 HIS 34 HD1 HIS 34 -7.836 36.165 -15.043 228 HD2 HIS 34 HD2 HIS 34 -7.878 32.021 -15.325 229 HE1 HIS 34 HE1 HIS 34 -6.514 35.618 -17.112 230 H HIS 35 HN HIS 35 -9.139 33.178 -10.063 231 HA HIS 35 HA HIS 35 -7.847 30.586 -10.138 232 HB2 HIS 35 HB1 HIS 35 -9.778 31.769 -8.132 233 HB3 HIS 35 HB2 HIS 35 -8.916 30.246 -7.938 234 HD1 HIS 35 HD1 HIS 35 -7.844 33.817 -8.749 235 HD2 HIS 35 HD2 HIS 35 -6.800 30.614 -6.317 236 HE1 HIS 35 HE1 HIS 35 -5.848 34.595 -7.431 237 H CYS 36 HN CYS 36 -8.690 28.968 -11.260 238 HA CYS 36 HA CYS 36 -11.260 28.941 -12.371 239 HB2 CYS 36 HB1 CYS 36 -9.313 27.605 -13.186 240 HB3 CYS 36 HB2 CYS 36 -9.509 26.543 -11.796 241 H ARG 37 HN ARG 37 -13.170 28.629 -11.457 242 HA ARG 37 HA ARG 37 -13.394 27.709 -8.747 243 HB2 ARG 37 HB1 ARG 37 -15.722 28.091 -10.606 244 HB3 ARG 37 HB2 ARG 37 -15.649 28.334 -8.866 245 HG2 ARG 37 HG1 ARG 37 -14.325 30.061 -10.947 246 HG3 ARG 37 HG2 ARG 37 -15.792 30.451 -10.048 247 HD2 ARG 37 HD1 ARG 37 -13.630 29.711 -8.278 248 HD3 ARG 37 HD2 ARG 37 -13.171 31.052 -9.327 249 HE ARG 37 HE ARG 37 -15.673 31.671 -8.344 250 HH11 ARG 37 HH11 ARG 37 -12.509 31.040 -7.036 251 HH12 ARG 37 HH12 ARG 37 -12.734 32.061 -5.654 252 HH21 ARG 37 HH21 ARG 37 -15.981 33.018 -6.530 253 HH22 ARG 37 HH22 ARG 37 -14.709 33.185 -5.367 254 H ASN 38 HN ASN 38 -12.855 26.043 -11.465 255 HA ASN 38 HA ASN 38 -14.686 23.840 -10.839 256 HB2 ASN 38 HB1 ASN 38 -14.099 24.882 -13.249 257 HB3 ASN 38 HB2 ASN 38 -12.844 23.648 -13.159 258 HD21 ASN 38 HD21 ASN 38 -15.449 21.056 -12.745 259 HD22 ASN 38 HD22 ASN 38 -14.152 21.666 -11.781 260 H CYS 39 HN CYS 39 -11.249 24.574 -11.246 261 HA CYS 39 HA CYS 39 -10.600 21.981 -10.015 262 HB2 CYS 39 HB1 CYS 39 -8.636 23.755 -11.450 263 HB3 CYS 39 HB2 CYS 39 -8.505 22.034 -11.103 264 H GLY 40 HN GLY 40 -10.014 25.453 -9.862 265 HA2 GLY 40 HA2 GLY 40 -9.725 26.611 -7.812 266 HA3 GLY 40 HA1 GLY 40 -9.164 25.116 -7.077 267 H GLN 41 HN GLN 41 -7.943 26.124 -10.171 268 HA GLN 41 HA GLN 41 -5.360 26.724 -8.891 269 HB2 GLN 41 HB1 GLN 41 -5.830 25.746 -11.711 270 HB3 GLN 41 HB2 GLN 41 -4.276 25.946 -10.911 271 HG2 GLN 41 HG1 GLN 41 -5.854 24.245 -9.295 272 HG3 GLN 41 HG2 GLN 41 -5.981 23.677 -10.959 273 HE21 GLN 41 HE21 GLN 41 -2.623 23.113 -8.824 274 HE22 GLN 41 HE22 GLN 41 -4.032 23.878 -8.181 275 H LEU 42 HN LEU 42 -3.958 28.242 -10.133 276 HA LEU 42 HA LEU 42 -5.582 30.482 -11.106 277 HB2 LEU 42 HB1 LEU 42 -3.159 30.234 -9.513 278 HB3 LEU 42 HB2 LEU 42 -2.996 31.403 -10.822 279 HG LEU 42 HG LEU 42 -5.188 31.471 -8.751 280 HD11 LEU 42 HD11 LEU 42 -3.511 32.084 -7.382 281 HD12 LEU 42 HD12 LEU 42 -3.654 33.625 -8.227 282 HD13 LEU 42 HD13 LEU 42 -2.418 32.465 -8.713 283 HD21 LEU 42 HD21 LEU 42 -4.625 32.946 -11.199 284 HD22 LEU 42 HD22 LEU 42 -4.828 33.990 -9.791 285 HD23 LEU 42 HD23 LEU 42 -6.104 32.858 -10.242 286 H PHE 43 HN PHE 43 -5.530 31.076 -13.172 287 HA PHE 43 HA PHE 43 -3.267 30.203 -14.837 288 HB2 PHE 43 HB1 PHE 43 -6.192 30.100 -15.607 289 HB3 PHE 43 HB2 PHE 43 -4.844 29.742 -16.682 290 HD1 PHE 43 HD1 PHE 43 -7.117 28.444 -14.260 291 HD2 PHE 43 HD2 PHE 43 -3.316 27.805 -16.066 292 HE1 PHE 43 HE1 PHE 43 -7.169 26.095 -13.530 293 HE2 PHE 43 HE2 PHE 43 -3.362 25.455 -15.340 294 HZ PHE 43 HZ PHE 43 -5.291 24.597 -14.070 295 H CYS 44 HN CYS 44 -2.999 31.463 -16.820 296 HA CYS 44 HA CYS 44 -3.573 34.276 -16.318 297 HB2 CYS 44 HB1 CYS 44 -1.925 34.715 -18.083 298 HB3 CYS 44 HB2 CYS 44 -1.266 33.642 -16.852 299 H GLN 45 HN GLN 45 -4.244 35.672 -18.118 300 HA GLN 45 HA GLN 45 -6.644 34.847 -19.264 301 HB2 GLN 45 HB1 GLN 45 -6.641 36.919 -20.462 302 HB3 GLN 45 HB2 GLN 45 -5.919 37.215 -18.886 303 HG2 GLN 45 HG1 GLN 45 -3.710 37.205 -19.845 304 HG3 GLN 45 HG2 GLN 45 -4.364 36.768 -21.423 305 HE21 GLN 45 HE21 GLN 45 -5.856 40.032 -21.896 306 HE22 GLN 45 HE22 GLN 45 -6.289 38.362 -21.997 307 H LYS 46 HN LYS 46 -3.422 34.307 -20.285 308 HA LYS 46 HA LYS 46 -4.162 33.763 -23.046 309 HB2 LYS 46 HB1 LYS 46 -1.832 34.636 -21.853 310 HB3 LYS 46 HB2 LYS 46 -1.483 32.947 -22.196 311 HG2 LYS 46 HG1 LYS 46 -2.686 34.601 -24.351 312 HG3 LYS 46 HG2 LYS 46 -0.984 34.841 -23.950 313 HD2 LYS 46 HD1 LYS 46 -0.370 32.830 -24.783 314 HD3 LYS 46 HD2 LYS 46 -1.852 32.037 -24.242 315 HE2 LYS 46 HE1 LYS 46 -3.080 32.975 -26.094 316 HE3 LYS 46 HE2 LYS 46 -1.677 33.920 -26.591 317 HZ1 LYS 46 HZ1 LYS 46 -1.163 31.095 -26.387 318 HZ2 LYS 46 HZ2 LYS 46 -0.785 32.176 -27.632 319 HZ3 LYS 46 HZ3 LYS 46 -2.327 31.484 -27.552 320 H CYS 47 HN CYS 47 -3.972 32.110 -20.087 321 HA CYS 47 HA CYS 47 -3.458 29.504 -21.245 322 HB2 CYS 47 HB1 CYS 47 -3.312 30.643 -18.648 323 HB3 CYS 47 HB2 CYS 47 -4.480 29.327 -18.577 324 H SER 48 HN SER 48 -6.171 31.082 -19.558 325 HA SER 48 HA SER 48 -7.965 28.973 -20.489 326 HB2 SER 48 HB1 SER 48 -8.838 31.296 -18.799 327 HB3 SER 48 HB2 SER 48 -9.467 29.648 -18.836 328 HG SER 48 HG SER 48 -6.810 29.965 -18.078 329 H ARG 49 HN ARG 49 -7.447 32.449 -20.781 330 HA ARG 49 HA ARG 49 -8.554 34.040 -22.031 331 HB2 ARG 49 HB1 ARG 49 -8.490 33.411 -24.490 332 HB3 ARG 49 HB2 ARG 49 -6.961 33.321 -23.625 333 HG2 ARG 49 HG1 ARG 49 -7.291 30.882 -23.381 334 HG3 ARG 49 HG2 ARG 49 -8.752 31.017 -24.362 335 HD2 ARG 49 HD1 ARG 49 -6.849 32.321 -25.870 336 HD3 ARG 49 HD2 ARG 49 -5.954 30.975 -25.166 337 HE ARG 49 HE ARG 49 -8.460 30.166 -26.280 338 HH11 ARG 49 HH11 ARG 49 -5.144 30.917 -27.031 339 HH12 ARG 49 HH12 ARG 49 -5.111 29.940 -28.462 340 HH21 ARG 49 HH21 ARG 49 -8.428 28.876 -28.161 341 HH22 ARG 49 HH22 ARG 49 -6.979 28.780 -29.104 342 H PHE 50 HN PHE 50 -10.345 32.094 -20.727 343 HA PHE 50 HA PHE 50 -12.681 32.566 -22.425 344 HB2 PHE 50 HB1 PHE 50 -11.947 29.901 -21.202 345 HB3 PHE 50 HB2 PHE 50 -13.536 30.274 -21.860 346 HD1 PHE 50 HD1 PHE 50 -12.924 31.737 -24.288 347 HD2 PHE 50 HD2 PHE 50 -10.993 28.339 -22.603 348 HE1 PHE 50 HE1 PHE 50 -12.155 31.068 -26.528 349 HE2 PHE 50 HE2 PHE 50 -10.220 27.665 -24.839 350 HZ PHE 50 HZ PHE 50 -10.800 29.031 -26.805 351 H GLN 51 HN GLN 51 -14.745 32.037 -21.147 352 HA GLN 51 HA GLN 51 -14.587 32.180 -18.290 353 HB2 GLN 51 HB1 GLN 51 -14.773 34.634 -19.850 354 HB3 GLN 51 HB2 GLN 51 -16.112 34.453 -18.725 355 HG2 GLN 51 HG1 GLN 51 -14.603 34.259 -16.871 356 HG3 GLN 51 HG2 GLN 51 -13.212 34.246 -17.954 357 HE21 GLN 51 HE21 GLN 51 -13.083 37.704 -18.374 358 HE22 GLN 51 HE22 GLN 51 -12.547 36.156 -18.922 359 H SER 52 HN SER 52 -16.336 31.235 -17.462 360 HA SER 52 HA SER 52 -18.972 31.601 -18.399 361 HB2 SER 52 HB1 SER 52 -17.484 29.713 -19.892 362 HB3 SER 52 HB2 SER 52 -18.602 28.793 -18.886 363 HG SER 52 HG SER 52 -19.287 30.933 -20.623 364 H GLU 53 HN GLU 53 -20.476 29.873 -17.405 365 HA GLU 53 HA GLU 53 -19.769 29.663 -14.622 366 HB2 GLU 53 HB1 GLU 53 -22.072 28.617 -14.449 367 HB3 GLU 53 HB2 GLU 53 -22.018 30.268 -15.049 368 HG2 GLU 53 HG1 GLU 53 -21.838 28.497 -17.265 369 HG3 GLU 53 HG2 GLU 53 -23.188 27.997 -16.248 370 H ILE 54 HN ILE 54 -20.518 27.501 -13.518 371 HA ILE 54 HA ILE 54 -19.479 25.215 -15.048 372 HB ILE 54 HB ILE 54 -18.749 25.847 -12.186 373 HG12 ILE 54 HG11 ILE 54 -16.775 25.634 -14.425 374 HG13 ILE 54 HG12 ILE 54 -17.680 27.131 -14.226 375 HG21 ILE 54 HG21 ILE 54 -18.950 23.468 -12.531 376 HG22 ILE 54 HG22 ILE 54 -17.958 23.562 -13.985 377 HG23 ILE 54 HG23 ILE 54 -17.244 23.898 -12.408 378 HD11 ILE 54 HD11 ILE 54 -15.619 25.912 -12.467 379 HD12 ILE 54 HD12 ILE 54 -15.809 27.582 -13.001 380 HD13 ILE 54 HD13 ILE 54 -16.866 26.930 -11.749 381 H LYS 55 HN LYS 55 -21.726 24.666 -15.298 382 HA LYS 55 HA LYS 55 -23.523 24.261 -13.195 383 HB2 LYS 55 HB1 LYS 55 -23.657 24.065 -15.910 384 HB3 LYS 55 HB2 LYS 55 -23.729 22.370 -15.446 385 HG2 LYS 55 HG1 LYS 55 -25.882 22.602 -15.007 386 HG3 LYS 55 HG2 LYS 55 -25.488 23.765 -13.740 387 HD2 LYS 55 HD1 LYS 55 -25.447 24.780 -16.516 388 HD3 LYS 55 HD2 LYS 55 -27.029 24.353 -15.860 389 HE2 LYS 55 HE1 LYS 55 -26.671 25.829 -13.969 390 HE3 LYS 55 HE2 LYS 55 -25.045 26.203 -14.540 391 HZ1 LYS 55 HZ1 LYS 55 -26.574 27.955 -15.133 392 HZ2 LYS 55 HZ2 LYS 55 -27.582 26.861 -15.937 393 HZ3 LYS 55 HZ3 LYS 55 -26.032 27.178 -16.536 394 H ARG 56 HN ARG 56 -20.946 22.257 -14.440 395 HA ARG 56 HA ARG 56 -21.677 19.797 -13.328 396 HB2 ARG 56 HB1 ARG 56 -19.901 19.873 -14.927 397 HB3 ARG 56 HB2 ARG 56 -18.971 20.986 -13.934 398 HG2 ARG 56 HG1 ARG 56 -18.535 19.280 -12.314 399 HG3 ARG 56 HG2 ARG 56 -19.632 18.163 -13.130 400 HD2 ARG 56 HD1 ARG 56 -17.629 19.182 -14.945 401 HD3 ARG 56 HD2 ARG 56 -16.886 18.429 -13.534 402 HE ARG 56 HE ARG 56 -18.955 16.806 -14.623 403 HH11 ARG 56 HH11 ARG 56 -15.641 17.773 -15.072 404 HH12 ARG 56 HH12 ARG 56 -15.192 16.318 -15.900 405 HH21 ARG 56 HH21 ARG 56 -18.376 14.887 -15.712 406 HH22 ARG 56 HH22 ARG 56 -16.749 14.678 -16.264 407 H LEU 57 HN LEU 57 -20.575 22.678 -11.838 408 HA LEU 57 HA LEU 57 -20.115 21.230 -9.313 409 HB2 LEU 57 HB1 LEU 57 -18.813 23.587 -10.543 410 HB3 LEU 57 HB2 LEU 57 -19.042 23.626 -8.796 411 HG LEU 57 HG LEU 57 -17.793 21.475 -8.649 412 HD11 LEU 57 HD11 LEU 57 -17.228 22.007 -11.562 413 HD12 LEU 57 HD12 LEU 57 -18.187 20.676 -10.916 414 HD13 LEU 57 HD13 LEU 57 -16.460 20.768 -10.569 415 HD21 LEU 57 HD21 LEU 57 -16.431 23.871 -9.863 416 HD22 LEU 57 HD22 LEU 57 -15.566 22.500 -9.168 417 HD23 LEU 57 HD23 LEU 57 -16.618 23.486 -8.152 418 H LYS 58 HN LYS 58 -22.608 22.395 -10.649 419 HA LYS 58 HA LYS 58 -24.575 23.264 -9.894 420 HB2 LYS 58 HB1 LYS 58 -23.279 23.701 -7.209 421 HB3 LYS 58 HB2 LYS 58 -24.986 23.468 -7.566 422 HG2 LYS 58 HG1 LYS 58 -22.866 21.363 -7.937 423 HG3 LYS 58 HG2 LYS 58 -23.905 21.506 -6.517 424 HD2 LYS 58 HD1 LYS 58 -25.624 21.569 -8.729 425 HD3 LYS 58 HD2 LYS 58 -24.452 20.293 -9.070 426 HE2 LYS 58 HE1 LYS 58 -26.098 20.556 -6.555 427 HE3 LYS 58 HE2 LYS 58 -26.411 19.433 -7.877 428 HZ1 LYS 58 HZ1 LYS 58 -24.065 18.595 -7.420 429 HZ2 LYS 58 HZ2 LYS 58 -25.268 18.180 -6.306 430 HZ3 LYS 58 HZ3 LYS 58 -24.175 19.420 -5.947 431 H ILE 59 HN ILE 59 -22.290 24.884 -10.914 432 HA ILE 59 HA ILE 59 -22.908 27.482 -9.686 433 HB ILE 59 HB ILE 59 -20.670 26.828 -11.604 434 HG12 ILE 59 HG11 ILE 59 -20.591 27.130 -8.593 435 HG13 ILE 59 HG12 ILE 59 -20.430 25.612 -9.469 436 HG21 ILE 59 HG21 ILE 59 -20.109 28.992 -11.564 437 HG22 ILE 59 HG22 ILE 59 -21.746 29.264 -10.969 438 HG23 ILE 59 HG23 ILE 59 -20.405 29.131 -9.831 439 HD11 ILE 59 HD11 ILE 59 -18.254 25.934 -9.631 440 HD12 ILE 59 HD12 ILE 59 -18.524 27.445 -10.500 441 HD13 ILE 59 HD13 ILE 59 -18.415 27.446 -8.740 442 H SER 60 HN SER 60 -24.570 28.447 -10.659 443 HA SER 60 HA SER 60 -25.027 28.084 -13.510 444 HB2 SER 60 HB1 SER 60 -26.796 29.964 -12.141 445 HB3 SER 60 HB2 SER 60 -27.191 28.504 -13.047 446 HG SER 60 HG SER 60 -27.720 27.901 -11.064 447 H SER 61 HN SER 61 -23.561 30.327 -11.399 448 HA SER 61 HA SER 61 -23.858 32.592 -13.190 449 HB2 SER 61 HB1 SER 61 -22.083 33.486 -11.390 450 HB3 SER 61 HB2 SER 61 -23.816 33.447 -11.067 451 HG SER 61 HG SER 61 -21.776 31.825 -10.073 452 HA PRO 62 HA PRO 62 -20.206 31.860 -15.531 453 HB2 PRO 62 HB1 PRO 62 -19.659 34.405 -16.301 454 HB3 PRO 62 HB2 PRO 62 -20.992 33.463 -16.978 455 HG2 PRO 62 HG1 PRO 62 -21.047 35.555 -14.838 456 HG3 PRO 62 HG2 PRO 62 -22.161 35.315 -16.196 457 HD2 PRO 62 HD1 PRO 62 -22.736 34.500 -13.679 458 HD3 PRO 62 HD2 PRO 62 -23.313 33.635 -15.118 459 H VAL 63 HN VAL 63 -18.216 31.454 -14.822 460 HA VAL 63 HA VAL 63 -16.818 33.484 -13.230 461 HB VAL 63 HB VAL 63 -15.963 31.838 -11.678 462 HG11 VAL 63 HG11 VAL 63 -17.737 32.127 -10.368 463 HG12 VAL 63 HG12 VAL 63 -18.602 32.730 -11.783 464 HG13 VAL 63 HG13 VAL 63 -18.710 31.025 -11.342 465 HG21 VAL 63 HG21 VAL 63 -15.763 29.786 -12.617 466 HG22 VAL 63 HG22 VAL 63 -17.328 29.539 -11.844 467 HG23 VAL 63 HG23 VAL 63 -17.246 29.949 -13.557 468 H ARG 64 HN ARG 64 -14.433 32.549 -12.859 469 HA ARG 64 HA ARG 64 -13.320 32.341 -15.494 470 HB2 ARG 64 HB1 ARG 64 -11.714 31.960 -12.992 471 HB3 ARG 64 HB2 ARG 64 -11.249 32.729 -14.503 472 HG2 ARG 64 HG1 ARG 64 -13.091 33.837 -12.397 473 HG3 ARG 64 HG2 ARG 64 -11.472 34.405 -12.810 474 HD2 ARG 64 HD1 ARG 64 -12.384 34.832 -15.143 475 HD3 ARG 64 HD2 ARG 64 -13.986 34.583 -14.449 476 HE ARG 64 HE ARG 64 -12.361 36.908 -14.204 477 HH11 ARG 64 HH11 ARG 64 -14.714 34.960 -12.534 478 HH12 ARG 64 HH12 ARG 64 -15.296 36.268 -11.558 479 HH21 ARG 64 HH21 ARG 64 -13.119 38.638 -12.925 480 HH22 ARG 64 HH22 ARG 64 -14.389 38.359 -11.782 481 H VAL 65 HN VAL 65 -12.764 30.560 -16.565 482 HA VAL 65 HA VAL 65 -12.233 28.088 -15.086 483 HB VAL 65 HB VAL 65 -13.615 26.759 -16.589 484 HG11 VAL 65 HG11 VAL 65 -14.495 28.201 -14.490 485 HG12 VAL 65 HG12 VAL 65 -15.590 28.779 -15.747 486 HG13 VAL 65 HG13 VAL 65 -15.498 27.056 -15.381 487 HG21 VAL 65 HG21 VAL 65 -14.438 29.409 -17.772 488 HG22 VAL 65 HG22 VAL 65 -13.511 28.142 -18.576 489 HG23 VAL 65 HG23 VAL 65 -15.194 27.857 -18.133 490 H CYS 66 HN CYS 66 -10.629 26.874 -15.931 491 HA CYS 66 HA CYS 66 -8.938 27.978 -17.906 492 HB2 CYS 66 HB1 CYS 66 -7.708 25.822 -17.733 493 HB3 CYS 66 HB2 CYS 66 -8.027 26.563 -16.168 494 H GLN 67 HN GLN 67 -8.334 27.051 -19.955 495 HA GLN 67 HA GLN 67 -10.412 26.655 -21.714 496 HB2 GLN 67 HB1 GLN 67 -8.318 27.232 -22.630 497 HB3 GLN 67 HB2 GLN 67 -7.510 25.876 -21.855 498 HG2 GLN 67 HG1 GLN 67 -8.666 24.325 -23.328 499 HG3 GLN 67 HG2 GLN 67 -9.515 25.669 -24.090 500 HE21 GLN 67 HE21 GLN 67 -6.392 26.920 -25.535 501 HE22 GLN 67 HE22 GLN 67 -7.640 27.513 -24.499 502 H ASN 68 HN ASN 68 -8.455 24.199 -20.068 503 HA ASN 68 HA ASN 68 -9.474 21.925 -21.287 504 HB2 ASN 68 HB1 ASN 68 -7.801 22.497 -19.093 505 HB3 ASN 68 HB2 ASN 68 -9.068 21.442 -18.474 506 HD21 ASN 68 HD21 ASN 68 -7.769 18.583 -19.891 507 HD22 ASN 68 HD22 ASN 68 -8.892 19.335 -18.815 508 H CYS 69 HN CYS 69 -10.855 23.948 -18.794 509 HA CYS 69 HA CYS 69 -13.021 22.088 -18.269 510 HB2 CYS 69 HB1 CYS 69 -12.174 24.732 -17.143 511 HB3 CYS 69 HB2 CYS 69 -13.819 24.164 -16.876 512 H TYR 70 HN TYR 70 -12.685 25.390 -19.558 513 HA TYR 70 HA TYR 70 -15.297 25.927 -20.202 514 HB2 TYR 70 HB1 TYR 70 -13.405 27.516 -20.460 515 HB3 TYR 70 HB2 TYR 70 -12.893 26.637 -21.897 516 HD1 TYR 70 HD1 TYR 70 -13.979 26.962 -23.995 517 HD2 TYR 70 HD2 TYR 70 -15.545 28.775 -20.479 518 HE1 TYR 70 HE1 TYR 70 -15.465 28.349 -25.380 519 HE2 TYR 70 HE2 TYR 70 -17.036 30.167 -21.854 520 HH TYR 70 HH TYR 70 -17.009 29.940 -25.400 521 H TYR 71 HN TYR 71 -12.905 24.280 -22.259 522 HA TYR 71 HA TYR 71 -14.458 23.838 -24.495 523 HB2 TYR 71 HB1 TYR 71 -12.019 22.744 -23.379 524 HB3 TYR 71 HB2 TYR 71 -12.952 21.496 -24.198 525 HD1 TYR 71 HD1 TYR 71 -13.828 22.142 -26.589 526 HD2 TYR 71 HD2 TYR 71 -10.583 24.068 -24.623 527 HE1 TYR 71 HE1 TYR 71 -12.991 22.936 -28.761 528 HE2 TYR 71 HE2 TYR 71 -9.737 24.868 -26.789 529 HH TYR 71 HH TYR 71 -9.907 24.600 -29.044 530 H ASN 72 HN ASN 72 -14.425 22.098 -21.445 531 HA ASN 72 HA ASN 72 -16.242 20.060 -22.410 532 HB2 ASN 72 HB1 ASN 72 -14.862 20.610 -19.803 533 HB3 ASN 72 HB2 ASN 72 -16.221 19.491 -19.855 534 HD21 ASN 72 HD21 ASN 72 -14.420 17.276 -22.139 535 HD22 ASN 72 HD22 ASN 72 -15.921 18.131 -22.112 536 H LEU 73 HN LEU 73 -16.411 23.114 -20.810 537 HA LEU 73 HA LEU 73 -18.991 22.762 -19.638 538 HB2 LEU 73 HB1 LEU 73 -17.313 25.179 -20.247 539 HB3 LEU 73 HB2 LEU 73 -18.917 25.300 -19.527 540 HG LEU 73 HG LEU 73 -16.628 23.782 -18.284 541 HD11 LEU 73 HD11 LEU 73 -15.865 25.975 -18.220 542 HD12 LEU 73 HD12 LEU 73 -16.705 25.794 -16.680 543 HD13 LEU 73 HD13 LEU 73 -17.486 26.638 -18.017 544 HD21 LEU 73 HD21 LEU 73 -19.365 24.600 -17.338 545 HD22 LEU 73 HD22 LEU 73 -18.081 24.087 -16.242 546 HD23 LEU 73 HD23 LEU 73 -18.695 22.973 -17.464 547 H GLN 74 HN GLN 74 -17.804 23.785 -22.750 548 HA GLN 74 HA GLN 74 -20.370 24.816 -23.602 549 HB2 GLN 74 HB1 GLN 74 -17.898 24.286 -25.256 550 HB3 GLN 74 HB2 GLN 74 -19.283 25.265 -25.720 551 HG2 GLN 74 HG1 GLN 74 -17.570 25.917 -23.343 552 HG3 GLN 74 HG2 GLN 74 -17.209 26.498 -24.968 553 HE21 GLN 74 HE21 GLN 74 -20.083 28.631 -25.101 554 HE22 GLN 74 HE22 GLN 74 -19.178 27.522 -26.068 555 H HIS 75 HN HIS 75 -18.581 21.848 -23.766 556 HA HIS 75 HA HIS 75 -20.270 20.715 -25.832 557 HB2 HIS 75 HB1 HIS 75 -17.702 20.142 -24.768 558 HB3 HIS 75 HB2 HIS 75 -18.711 18.726 -24.489 559 HD1 HIS 75 HD1 HIS 75 -17.670 20.988 -27.355 560 HD2 HIS 75 HD2 HIS 75 -18.985 17.109 -26.656 561 HE1 HIS 75 HE1 HIS 75 -17.517 19.816 -29.575 562 H GLU 76 HN GLU 76 -20.059 20.765 -22.367 563 HA GLU 76 HA GLU 76 -21.782 18.501 -21.957 564 HB2 GLU 76 HB1 GLU 76 -21.608 18.972 -19.639 565 HB3 GLU 76 HB2 GLU 76 -20.028 19.320 -20.327 566 HG2 GLU 76 HG1 GLU 76 -20.208 21.206 -19.134 567 HG3 GLU 76 HG2 GLU 76 -21.166 21.751 -20.510 568 H ARG 77 HN ARG 77 -22.176 21.912 -22.424 569 HA ARG 77 HA ARG 77 -24.967 21.823 -21.560 570 HB2 ARG 77 HB1 ARG 77 -22.955 23.832 -21.597 571 HB3 ARG 77 HB2 ARG 77 -24.252 24.359 -22.661 572 HG2 ARG 77 HG1 ARG 77 -25.865 24.066 -20.857 573 HG3 ARG 77 HG2 ARG 77 -24.572 23.517 -19.788 574 HD2 ARG 77 HD1 ARG 77 -23.881 25.606 -19.376 575 HD3 ARG 77 HD2 ARG 77 -23.998 26.070 -21.073 576 HE ARG 77 HE ARG 77 -26.569 25.849 -19.882 577 HH11 ARG 77 HH11 ARG 77 -23.776 27.917 -20.095 578 HH12 ARG 77 HH12 ARG 77 -24.665 29.369 -19.774 579 HH21 ARG 77 HH21 ARG 77 -27.750 27.754 -19.458 580 HH22 ARG 77 HH22 ARG 77 -26.925 29.276 -19.411 581 H GLY 78 HN GLY 78 -23.006 21.949 -24.429 582 HA2 GLY 78 HA2 GLY 78 -24.996 22.855 -26.236 583 HA3 GLY 78 HA1 GLY 78 -23.534 21.981 -26.666 Start of MODEL 6 1 H1 SER 1 HN SER 1 -21.489 3.517 -16.483 2 HA SER 1 HA SER 1 -20.683 1.863 -14.209 3 HB2 SER 1 HB1 SER 1 -19.968 1.413 -16.648 4 HB3 SER 1 HB2 SER 1 -18.868 2.774 -16.435 5 HG SER 1 HG SER 1 -18.956 0.507 -14.730 6 H ASN 2 HN ASN 2 -21.428 4.723 -13.986 7 HA ASN 2 HA ASN 2 -19.055 5.577 -12.524 8 HB2 ASN 2 HB1 ASN 2 -20.424 7.368 -14.543 9 HB3 ASN 2 HB2 ASN 2 -19.090 7.824 -13.489 10 HD21 ASN 2 HD21 ASN 2 -16.614 6.188 -15.374 11 HD22 ASN 2 HD22 ASN 2 -17.046 6.771 -13.805 12 H ALA 3 HN ALA 3 -19.797 8.024 -11.682 13 HA ALA 3 HA ALA 3 -22.533 7.837 -10.665 14 HB1 ALA 3 HB1 ALA 3 -21.433 6.765 -8.897 15 HB2 ALA 3 HB2 ALA 3 -20.061 7.872 -8.961 16 HB3 ALA 3 HB3 ALA 3 -21.620 8.433 -8.356 17 H GLY 4 HN GLY 4 -19.550 9.770 -10.273 18 HA2 GLY 4 HA2 GLY 4 -19.268 11.995 -11.009 19 HA3 GLY 4 HA1 GLY 4 -21.010 12.126 -11.205 20 H ARG 5 HN ARG 5 -18.760 13.613 -9.658 21 HA ARG 5 HA ARG 5 -20.372 14.637 -7.618 22 HB2 ARG 5 HB1 ARG 5 -19.242 12.159 -6.916 23 HB3 ARG 5 HB2 ARG 5 -18.296 13.373 -6.065 24 HG2 ARG 5 HG1 ARG 5 -20.968 14.129 -5.731 25 HG3 ARG 5 HG2 ARG 5 -20.924 12.381 -5.494 26 HD2 ARG 5 HD1 ARG 5 -19.129 14.373 -4.113 27 HD3 ARG 5 HD2 ARG 5 -20.565 13.637 -3.402 28 HE ARG 5 HE ARG 5 -17.980 12.426 -3.736 29 HH11 ARG 5 HH11 ARG 5 -21.392 11.842 -3.368 30 HH12 ARG 5 HH12 ARG 5 -21.182 10.245 -2.728 31 HH21 ARG 5 HH21 ARG 5 -17.691 10.325 -2.894 32 HH22 ARG 5 HH22 ARG 5 -19.077 9.384 -2.458 33 H SER 6 HN SER 6 -18.604 15.514 -5.755 34 HA SER 6 HA SER 6 -17.262 17.588 -7.080 35 HB2 SER 6 HB1 SER 6 -16.114 17.054 -4.474 36 HB3 SER 6 HB2 SER 6 -17.101 18.418 -5.001 37 HG SER 6 HG SER 6 -18.859 17.454 -4.269 38 H ALA 7 HN ALA 7 -14.775 17.872 -6.046 39 HA ALA 7 HA ALA 7 -13.240 16.096 -7.697 40 HB1 ALA 7 HB1 ALA 7 -12.395 18.243 -7.740 41 HB2 ALA 7 HB2 ALA 7 -12.613 18.477 -6.005 42 HB3 ALA 7 HB3 ALA 7 -11.309 17.449 -6.600 43 H ALA 8 HN ALA 8 -14.174 14.257 -6.246 44 HA ALA 8 HA ALA 8 -13.068 13.802 -3.689 45 HB1 ALA 8 HB1 ALA 8 -14.543 12.195 -5.686 46 HB2 ALA 8 HB2 ALA 8 -13.612 11.309 -4.478 47 HB3 ALA 8 HB3 ALA 8 -14.860 12.446 -3.969 48 H ASP 9 HN ASP 9 -11.719 13.600 -6.811 49 HA ASP 9 HA ASP 9 -9.556 11.840 -5.890 50 HB2 ASP 9 HB1 ASP 9 -10.637 11.205 -8.005 51 HB3 ASP 9 HB2 ASP 9 -10.233 12.778 -8.686 52 H HIS 10 HN HIS 10 -9.663 14.581 -8.159 53 HA HIS 10 HA HIS 10 -8.224 16.318 -8.490 54 HB2 HIS 10 HB1 HIS 10 -9.362 16.949 -6.325 55 HB3 HIS 10 HB2 HIS 10 -7.954 16.312 -5.481 56 HD1 HIS 10 HD1 HIS 10 -6.987 18.439 -4.571 57 HD2 HIS 10 HD2 HIS 10 -7.761 18.655 -8.647 58 HE1 HIS 10 HE1 HIS 10 -5.970 20.609 -5.334 59 H TRP 11 HN TRP 11 -6.802 14.473 -9.324 60 HA TRP 11 HA TRP 11 -4.523 13.773 -7.716 61 HB2 TRP 11 HB1 TRP 11 -3.701 12.776 -9.909 62 HB3 TRP 11 HB2 TRP 11 -5.210 12.125 -9.276 63 HD1 TRP 11 HD1 TRP 11 -5.254 15.467 -11.111 64 HE1 TRP 11 HE1 TRP 11 -6.504 15.173 -13.341 65 HE3 TRP 11 HE3 TRP 11 -5.769 10.380 -11.089 66 HZ2 TRP 11 HZ2 TRP 11 -7.568 13.064 -14.887 67 HZ3 TRP 11 HZ3 TRP 11 -6.916 9.303 -12.981 68 HH2 TRP 11 HH2 TRP 11 -7.797 10.619 -14.839 69 H VAL 12 HN VAL 12 -4.366 16.331 -7.488 70 HA VAL 12 HA VAL 12 -1.907 17.067 -8.634 71 HB VAL 12 HB VAL 12 -3.651 17.374 -10.569 72 HG11 VAL 12 HG11 VAL 12 -3.969 20.014 -9.157 73 HG12 VAL 12 HG12 VAL 12 -4.766 19.472 -10.636 74 HG13 VAL 12 HG13 VAL 12 -5.171 18.725 -9.090 75 HG21 VAL 12 HG21 VAL 12 -1.232 18.057 -10.504 76 HG22 VAL 12 HG22 VAL 12 -2.265 19.050 -11.532 77 HG23 VAL 12 HG23 VAL 12 -1.769 19.641 -9.946 78 H LYS 13 HN LYS 13 -1.296 19.328 -8.089 79 HA LYS 13 HA LYS 13 -2.897 20.913 -6.375 80 HB2 LYS 13 HB1 LYS 13 -1.296 18.792 -5.144 81 HB3 LYS 13 HB2 LYS 13 -0.963 20.388 -4.486 82 HG2 LYS 13 HG1 LYS 13 -2.906 20.467 -3.396 83 HG3 LYS 13 HG2 LYS 13 -3.809 19.833 -4.774 84 HD2 LYS 13 HD1 LYS 13 -3.563 17.655 -4.106 85 HD3 LYS 13 HD2 LYS 13 -2.042 17.970 -3.268 86 HE2 LYS 13 HE1 LYS 13 -3.179 18.982 -1.433 87 HE3 LYS 13 HE2 LYS 13 -4.710 18.985 -2.306 88 HZ1 LYS 13 HZ1 LYS 13 -5.125 16.898 -1.702 89 HZ2 LYS 13 HZ2 LYS 13 -3.884 17.074 -0.566 90 HZ3 LYS 13 HZ3 LYS 13 -3.560 16.369 -2.069 91 H ASP 14 HN ASP 14 -2.132 22.503 -7.797 92 HA ASP 14 HA ASP 14 0.721 23.179 -7.518 93 HB2 ASP 14 HB1 ASP 14 -1.232 23.505 -9.758 94 HB3 ASP 14 HB2 ASP 14 0.082 24.668 -9.604 95 H GLU 15 HN GLU 15 -1.733 23.860 -5.823 96 HA GLU 15 HA GLU 15 -2.437 26.527 -6.047 97 HB2 GLU 15 HB1 GLU 15 -2.717 26.401 -3.504 98 HB3 GLU 15 HB2 GLU 15 -3.637 25.261 -4.477 99 HG2 GLU 15 HG1 GLU 15 -2.138 23.486 -3.955 100 HG3 GLU 15 HG2 GLU 15 -1.009 24.596 -3.180 101 H GLY 16 HN GLY 16 -0.891 28.012 -6.499 102 HA2 GLY 16 HA2 GLY 16 1.519 28.099 -4.831 103 HA3 GLY 16 HA1 GLY 16 1.272 28.974 -6.336 104 H GLY 17 HN GLY 17 -0.528 30.658 -6.232 105 HA2 GLY 17 HA2 GLY 17 -1.663 31.841 -4.119 106 HA3 GLY 17 HA1 GLY 17 0.013 32.324 -3.912 107 H ASP 18 HN ASP 18 0.739 32.696 -6.581 108 HA ASP 18 HA ASP 18 -1.133 34.456 -7.866 109 HB2 ASP 18 HB1 ASP 18 0.715 36.349 -7.734 110 HB3 ASP 18 HB2 ASP 18 -0.519 36.189 -6.488 111 H SER 19 HN SER 19 -0.187 32.303 -9.002 112 HA SER 19 HA SER 19 1.409 33.308 -11.173 113 HB2 SER 19 HB1 SER 19 2.524 30.946 -9.657 114 HB3 SER 19 HB2 SER 19 3.277 31.838 -10.979 115 HG SER 19 HG SER 19 3.179 32.413 -8.291 116 H CYS 20 HN CYS 20 0.992 32.240 -13.038 117 HA CYS 20 HA CYS 20 -1.236 30.649 -13.321 118 HB2 CYS 20 HB1 CYS 20 -0.024 31.848 -15.159 119 HB3 CYS 20 HB2 CYS 20 1.183 30.567 -15.133 120 H SER 21 HN SER 21 -1.504 28.408 -13.859 121 HA SER 21 HA SER 21 0.353 26.703 -12.366 122 HB2 SER 21 HB1 SER 21 -2.410 26.838 -12.361 123 HB3 SER 21 HB2 SER 21 -2.081 25.425 -13.364 124 HG SER 21 HG SER 21 -1.398 24.384 -11.664 125 H GLY 22 HN GLY 22 -0.964 27.235 -15.555 126 HA2 GLY 22 HA2 GLY 22 0.356 24.826 -16.578 127 HA3 GLY 22 HA1 GLY 22 -0.781 25.835 -17.460 128 H CYS 23 HN CYS 23 1.150 28.007 -16.050 129 HA CYS 23 HA CYS 23 3.231 27.887 -18.122 130 HB2 CYS 23 HB1 CYS 23 1.524 30.278 -17.413 131 HB3 CYS 23 HB2 CYS 23 2.995 30.377 -18.376 132 H SER 24 HN SER 24 2.223 28.786 -14.931 133 HA SER 24 HA SER 24 3.411 29.209 -13.032 134 HB2 SER 24 HB1 SER 24 6.069 28.978 -14.336 135 HB3 SER 24 HB2 SER 24 5.491 28.284 -12.821 136 HG SER 24 HG SER 24 5.600 26.565 -14.122 137 H VAL 25 HN VAL 25 3.106 31.128 -15.501 138 HA VAL 25 HA VAL 25 5.150 33.085 -15.141 139 HB VAL 25 HB VAL 25 4.060 33.051 -17.255 140 HG11 VAL 25 HG11 VAL 25 1.971 32.253 -17.275 141 HG12 VAL 25 HG12 VAL 25 1.649 32.802 -15.629 142 HG13 VAL 25 HG13 VAL 25 1.476 33.920 -16.982 143 HG21 VAL 25 HG21 VAL 25 2.837 35.478 -16.004 144 HG22 VAL 25 HG22 VAL 25 4.590 35.300 -16.078 145 HG23 VAL 25 HG23 VAL 25 3.641 35.311 -17.564 146 H ARG 26 HN ARG 26 5.325 34.574 -13.606 147 HA ARG 26 HA ARG 26 3.469 34.791 -11.488 148 HB2 ARG 26 HB1 ARG 26 5.571 36.842 -12.168 149 HB3 ARG 26 HB2 ARG 26 4.909 36.453 -10.586 150 HG2 ARG 26 HG1 ARG 26 6.715 34.725 -12.261 151 HG3 ARG 26 HG2 ARG 26 7.128 35.560 -10.762 152 HD2 ARG 26 HD1 ARG 26 4.935 34.090 -10.034 153 HD3 ARG 26 HD2 ARG 26 5.739 33.023 -11.185 154 HE ARG 26 HE ARG 26 7.366 32.659 -9.629 155 HH11 ARG 26 HH11 ARG 26 5.669 35.584 -8.804 156 HH12 ARG 26 HH12 ARG 26 6.497 35.794 -7.297 157 HH21 ARG 26 HH21 ARG 26 8.463 32.924 -7.647 158 HH22 ARG 26 HH22 ARG 26 8.087 34.281 -6.640 159 H PHE 27 HN PHE 27 1.518 35.668 -11.661 160 HA PHE 27 HA PHE 27 0.615 37.335 -13.685 161 HB2 PHE 27 HB1 PHE 27 -0.433 37.166 -10.851 162 HB3 PHE 27 HB2 PHE 27 -1.312 37.799 -12.239 163 HD1 PHE 27 HD1 PHE 27 -1.028 35.068 -10.178 164 HD2 PHE 27 HD2 PHE 27 -1.270 36.043 -14.314 165 HE1 PHE 27 HE1 PHE 27 -1.884 32.811 -10.656 166 HE2 PHE 27 HE2 PHE 27 -2.127 33.789 -14.799 167 HZ PHE 27 HZ PHE 27 -2.436 32.170 -12.969 168 H SER 28 HN SER 28 0.180 39.559 -13.802 169 HA SER 28 HA SER 28 1.102 41.357 -11.757 170 HB2 SER 28 HB1 SER 28 2.577 41.273 -14.401 171 HB3 SER 28 HB2 SER 28 2.809 42.475 -13.131 172 HG SER 28 HG SER 28 4.297 40.581 -13.220 173 H LEU 29 HN LEU 29 1.300 43.689 -13.090 174 HA LEU 29 HA LEU 29 -1.350 44.384 -13.626 175 HB2 LEU 29 HB1 LEU 29 1.014 45.889 -14.702 176 HB3 LEU 29 HB2 LEU 29 -0.552 46.524 -14.202 177 HG LEU 29 HG LEU 29 0.419 45.418 -11.881 178 HD11 LEU 29 HD11 LEU 29 2.726 46.891 -13.116 179 HD12 LEU 29 HD12 LEU 29 2.605 45.132 -13.150 180 HD13 LEU 29 HD13 LEU 29 2.680 45.981 -11.606 181 HD21 LEU 29 HD21 LEU 29 0.570 48.229 -12.951 182 HD22 LEU 29 HD22 LEU 29 0.898 47.802 -11.271 183 HD23 LEU 29 HD23 LEU 29 -0.702 47.517 -11.958 184 H THR 30 HN THR 30 1.055 43.000 -15.659 185 HA THR 30 HA THR 30 -0.460 43.652 -18.082 186 HB THR 30 HB THR 30 1.455 42.735 -19.324 187 HG1 THR 30 HG1 THR 30 2.689 41.395 -18.255 188 HG21 THR 30 HG21 THR 30 1.335 45.145 -18.405 189 HG22 THR 30 HG22 THR 30 2.884 44.555 -19.009 190 HG23 THR 30 HG23 THR 30 2.579 44.615 -17.273 191 H GLU 31 HN GLU 31 0.200 41.075 -15.893 192 HA GLU 31 HA GLU 31 -1.090 39.163 -17.727 193 HB2 GLU 31 HB1 GLU 31 1.274 38.669 -16.940 194 HB3 GLU 31 HB2 GLU 31 0.599 38.452 -15.331 195 HG2 GLU 31 HG1 GLU 31 0.891 36.320 -16.435 196 HG3 GLU 31 HG2 GLU 31 -0.819 36.650 -16.161 197 H ARG 32 HN ARG 32 -3.183 39.000 -17.263 198 HA ARG 32 HA ARG 32 -4.252 39.572 -14.674 199 HB2 ARG 32 HB1 ARG 32 -5.376 38.660 -17.291 200 HB3 ARG 32 HB2 ARG 32 -6.359 38.505 -15.841 201 HG2 ARG 32 HG1 ARG 32 -5.637 41.036 -15.532 202 HG3 ARG 32 HG2 ARG 32 -5.477 40.934 -17.287 203 HD2 ARG 32 HD1 ARG 32 -7.669 41.386 -17.326 204 HD3 ARG 32 HD2 ARG 32 -7.875 39.699 -16.858 205 HE ARG 32 HE ARG 32 -8.573 40.397 -14.796 206 HH11 ARG 32 HH11 ARG 32 -6.952 43.030 -16.397 207 HH12 ARG 32 HH12 ARG 32 -7.371 44.196 -15.186 208 HH21 ARG 32 HH21 ARG 32 -9.131 41.923 -13.195 209 HH22 ARG 32 HH22 ARG 32 -8.610 43.565 -13.364 210 H ARG 33 HN ARG 33 -5.473 38.099 -13.350 211 HA ARG 33 HA ARG 33 -4.623 35.291 -13.622 212 HB2 ARG 33 HB1 ARG 33 -4.321 35.126 -11.250 213 HB3 ARG 33 HB2 ARG 33 -3.406 36.518 -11.812 214 HG2 ARG 33 HG1 ARG 33 -4.799 38.023 -10.787 215 HG3 ARG 33 HG2 ARG 33 -6.180 36.925 -10.812 216 HD2 ARG 33 HD1 ARG 33 -5.285 35.631 -9.028 217 HD3 ARG 33 HD2 ARG 33 -3.732 36.461 -9.123 218 HE ARG 33 HE ARG 33 -4.593 38.122 -7.813 219 HH11 ARG 33 HH11 ARG 33 -7.221 36.282 -9.165 220 HH12 ARG 33 HH12 ARG 33 -8.439 37.096 -8.240 221 HH21 ARG 33 HH21 ARG 33 -6.187 39.201 -6.590 222 HH22 ARG 33 HH22 ARG 33 -7.849 38.757 -6.776 223 H HIS 34 HN HIS 34 -6.058 33.714 -12.705 224 HA HIS 34 HA HIS 34 -8.653 34.472 -11.758 225 HB2 HIS 34 HB1 HIS 34 -9.607 33.020 -13.827 226 HB3 HIS 34 HB2 HIS 34 -9.518 34.778 -13.835 227 HD1 HIS 34 HD1 HIS 34 -8.151 31.763 -15.473 228 HD2 HIS 34 HD2 HIS 34 -7.368 35.842 -15.387 229 HE1 HIS 34 HE1 HIS 34 -6.636 32.198 -17.432 230 H HIS 35 HN HIS 35 -9.261 32.953 -10.371 231 HA HIS 35 HA HIS 35 -7.928 30.367 -10.416 232 HB2 HIS 35 HB1 HIS 35 -8.940 32.079 -8.387 233 HB3 HIS 35 HB2 HIS 35 -9.839 30.566 -8.297 234 HD1 HIS 35 HD1 HIS 35 -7.603 28.576 -8.966 235 HD2 HIS 35 HD2 HIS 35 -7.159 31.777 -6.355 236 HE1 HIS 35 HE1 HIS 35 -5.691 27.952 -7.456 237 H CYS 36 HN CYS 36 -8.795 28.819 -11.625 238 HA CYS 36 HA CYS 36 -11.381 28.777 -12.656 239 HB2 CYS 36 HB1 CYS 36 -9.426 27.434 -13.481 240 HB3 CYS 36 HB2 CYS 36 -9.661 26.351 -12.113 241 H ARG 37 HN ARG 37 -13.293 28.379 -11.771 242 HA ARG 37 HA ARG 37 -13.485 27.499 -9.039 243 HB2 ARG 37 HB1 ARG 37 -15.857 27.791 -10.845 244 HB3 ARG 37 HB2 ARG 37 -15.717 28.142 -9.127 245 HG2 ARG 37 HG1 ARG 37 -14.506 29.751 -11.366 246 HG3 ARG 37 HG2 ARG 37 -15.936 30.181 -10.426 247 HD2 ARG 37 HD1 ARG 37 -13.542 29.570 -8.836 248 HD3 ARG 37 HD2 ARG 37 -13.406 30.997 -9.862 249 HE ARG 37 HE ARG 37 -15.832 30.929 -8.334 250 HH11 ARG 37 HH11 ARG 37 -12.459 31.792 -8.288 251 HH12 ARG 37 HH12 ARG 37 -12.646 32.980 -7.040 252 HH21 ARG 37 HH21 ARG 37 -16.090 32.490 -6.691 253 HH22 ARG 37 HH22 ARG 37 -14.712 33.375 -6.132 254 H ASN 38 HN ASN 38 -12.989 25.837 -11.792 255 HA ASN 38 HA ASN 38 -14.766 23.607 -11.122 256 HB2 ASN 38 HB1 ASN 38 -14.542 24.484 -13.503 257 HB3 ASN 38 HB2 ASN 38 -12.923 23.792 -13.504 258 HD21 ASN 38 HD21 ASN 38 -14.069 20.421 -13.470 259 HD22 ASN 38 HD22 ASN 38 -12.835 21.453 -12.841 260 H CYS 39 HN CYS 39 -11.334 24.331 -11.657 261 HA CYS 39 HA CYS 39 -10.639 21.759 -10.418 262 HB2 CYS 39 HB1 CYS 39 -8.705 23.606 -11.801 263 HB3 CYS 39 HB2 CYS 39 -8.545 21.879 -11.499 264 H GLY 40 HN GLY 40 -10.158 25.238 -10.171 265 HA2 GLY 40 HA2 GLY 40 -9.873 26.371 -8.117 266 HA3 GLY 40 HA1 GLY 40 -9.330 24.867 -7.389 267 H GLN 41 HN GLN 41 -8.050 25.929 -10.444 268 HA GLN 41 HA GLN 41 -5.497 26.528 -9.102 269 HB2 GLN 41 HB1 GLN 41 -5.856 25.547 -11.935 270 HB3 GLN 41 HB2 GLN 41 -4.346 25.707 -11.048 271 HG2 GLN 41 HG1 GLN 41 -5.982 24.036 -9.502 272 HG3 GLN 41 HG2 GLN 41 -6.156 23.495 -11.170 273 HE21 GLN 41 HE21 GLN 41 -3.180 22.008 -9.298 274 HE22 GLN 41 HE22 GLN 41 -4.784 22.356 -8.761 275 H LEU 42 HN LEU 42 -4.151 28.165 -10.053 276 HA LEU 42 HA LEU 42 -5.737 30.331 -11.203 277 HB2 LEU 42 HB1 LEU 42 -3.389 30.127 -9.493 278 HB3 LEU 42 HB2 LEU 42 -3.191 31.306 -10.788 279 HG LEU 42 HG LEU 42 -5.518 31.326 -8.874 280 HD11 LEU 42 HD11 LEU 42 -3.296 33.277 -8.639 281 HD12 LEU 42 HD12 LEU 42 -3.047 31.661 -7.978 282 HD13 LEU 42 HD13 LEU 42 -4.392 32.649 -7.407 283 HD21 LEU 42 HD21 LEU 42 -4.934 33.875 -9.849 284 HD22 LEU 42 HD22 LEU 42 -6.296 32.847 -10.296 285 HD23 LEU 42 HD23 LEU 42 -4.808 32.804 -11.244 286 H PHE 43 HN PHE 43 -5.602 30.909 -13.268 287 HA PHE 43 HA PHE 43 -3.244 30.068 -14.817 288 HB2 PHE 43 HB1 PHE 43 -6.128 29.967 -15.729 289 HB3 PHE 43 HB2 PHE 43 -4.730 29.623 -16.742 290 HD1 PHE 43 HD1 PHE 43 -7.143 28.272 -14.522 291 HD2 PHE 43 HD2 PHE 43 -3.190 27.708 -15.996 292 HE1 PHE 43 HE1 PHE 43 -7.220 25.916 -13.817 293 HE2 PHE 43 HE2 PHE 43 -3.261 25.351 -15.294 294 HZ PHE 43 HZ PHE 43 -5.278 24.452 -14.204 295 H CYS 44 HN CYS 44 -2.965 31.316 -16.846 296 HA CYS 44 HA CYS 44 -3.530 34.136 -16.334 297 HB2 CYS 44 HB1 CYS 44 -1.806 34.586 -18.016 298 HB3 CYS 44 HB2 CYS 44 -1.201 33.496 -16.773 299 H GLN 45 HN GLN 45 -4.147 35.538 -18.139 300 HA GLN 45 HA GLN 45 -6.487 34.714 -19.393 301 HB2 GLN 45 HB1 GLN 45 -6.528 36.806 -20.441 302 HB3 GLN 45 HB2 GLN 45 -5.611 37.093 -18.969 303 HG2 GLN 45 HG1 GLN 45 -3.677 36.399 -20.806 304 HG3 GLN 45 HG2 GLN 45 -4.816 37.365 -21.743 305 HE21 GLN 45 HE21 GLN 45 -3.097 40.171 -20.657 306 HE22 GLN 45 HE22 GLN 45 -3.592 39.166 -21.972 307 H LYS 46 HN LYS 46 -3.227 34.175 -20.280 308 HA LYS 46 HA LYS 46 -3.855 33.634 -23.070 309 HB2 LYS 46 HB1 LYS 46 -1.517 34.360 -21.637 310 HB3 LYS 46 HB2 LYS 46 -1.222 32.775 -22.340 311 HG2 LYS 46 HG1 LYS 46 -0.482 34.566 -23.815 312 HG3 LYS 46 HG2 LYS 46 -1.785 33.625 -24.545 313 HD2 LYS 46 HD1 LYS 46 -2.997 35.723 -23.098 314 HD3 LYS 46 HD2 LYS 46 -1.667 36.434 -24.015 315 HE2 LYS 46 HE1 LYS 46 -3.489 34.512 -25.379 316 HE3 LYS 46 HE2 LYS 46 -4.063 36.151 -25.073 317 HZ1 LYS 46 HZ1 LYS 46 -1.418 36.059 -26.191 318 HZ2 LYS 46 HZ2 LYS 46 -2.760 36.972 -26.666 319 HZ3 LYS 46 HZ3 LYS 46 -2.588 35.378 -27.207 320 H CYS 47 HN CYS 47 -3.776 31.981 -20.108 321 HA CYS 47 HA CYS 47 -3.211 29.378 -21.256 322 HB2 CYS 47 HB1 CYS 47 -3.143 30.514 -18.650 323 HB3 CYS 47 HB2 CYS 47 -4.294 29.182 -18.617 324 H SER 48 HN SER 48 -5.970 30.962 -19.654 325 HA SER 48 HA SER 48 -7.734 28.852 -20.656 326 HB2 SER 48 HB1 SER 48 -8.643 31.117 -18.906 327 HB3 SER 48 HB2 SER 48 -9.274 29.474 -19.014 328 HG SER 48 HG SER 48 -7.049 28.912 -18.178 329 H ARG 49 HN ARG 49 -7.213 32.333 -20.840 330 HA ARG 49 HA ARG 49 -8.258 33.964 -22.080 331 HB2 ARG 49 HB1 ARG 49 -8.319 33.252 -24.569 332 HB3 ARG 49 HB2 ARG 49 -6.765 33.319 -23.747 333 HG2 ARG 49 HG1 ARG 49 -6.894 30.880 -23.382 334 HG3 ARG 49 HG2 ARG 49 -8.395 30.852 -24.309 335 HD2 ARG 49 HD1 ARG 49 -6.568 32.241 -25.900 336 HD3 ARG 49 HD2 ARG 49 -5.663 30.883 -25.231 337 HE ARG 49 HE ARG 49 -7.953 29.734 -26.098 338 HH11 ARG 49 HH11 ARG 49 -5.608 31.828 -27.594 339 HH12 ARG 49 HH12 ARG 49 -5.854 31.184 -29.183 340 HH21 ARG 49 HH21 ARG 49 -8.286 28.878 -28.186 341 HH22 ARG 49 HH22 ARG 49 -7.378 29.507 -29.519 342 H PHE 50 HN PHE 50 -10.054 31.858 -20.855 343 HA PHE 50 HA PHE 50 -12.433 32.578 -22.396 344 HB2 PHE 50 HB1 PHE 50 -11.803 29.761 -21.489 345 HB3 PHE 50 HB2 PHE 50 -13.326 30.284 -22.202 346 HD1 PHE 50 HD1 PHE 50 -12.606 31.898 -24.438 347 HD2 PHE 50 HD2 PHE 50 -10.701 28.391 -22.959 348 HE1 PHE 50 HE1 PHE 50 -11.711 31.441 -26.684 349 HE2 PHE 50 HE2 PHE 50 -9.802 27.929 -25.202 350 HZ PHE 50 HZ PHE 50 -10.307 29.455 -27.068 351 H GLN 51 HN GLN 51 -14.464 31.924 -21.123 352 HA GLN 51 HA GLN 51 -14.239 31.653 -18.291 353 HB2 GLN 51 HB1 GLN 51 -14.503 33.769 -17.541 354 HB3 GLN 51 HB2 GLN 51 -13.784 34.197 -19.088 355 HG2 GLN 51 HG1 GLN 51 -16.180 34.271 -19.973 356 HG3 GLN 51 HG2 GLN 51 -16.666 34.273 -18.279 357 HE21 GLN 51 HE21 GLN 51 -16.481 37.721 -18.288 358 HE22 GLN 51 HE22 GLN 51 -17.397 36.285 -18.002 359 H SER 52 HN SER 52 -16.087 30.858 -17.462 360 HA SER 52 HA SER 52 -18.679 31.465 -18.420 361 HB2 SER 52 HB1 SER 52 -19.129 29.050 -19.231 362 HB3 SER 52 HB2 SER 52 -18.302 30.152 -20.331 363 HG SER 52 HG SER 52 -17.441 27.864 -19.791 364 H GLU 53 HN GLU 53 -20.344 29.955 -17.447 365 HA GLU 53 HA GLU 53 -19.766 29.626 -14.682 366 HB2 GLU 53 HB1 GLU 53 -22.045 28.905 -14.455 367 HB3 GLU 53 HB2 GLU 53 -22.005 30.239 -15.599 368 HG2 GLU 53 HG1 GLU 53 -23.427 28.775 -16.640 369 HG3 GLU 53 HG2 GLU 53 -21.884 28.361 -17.386 370 H ILE 54 HN ILE 54 -20.421 27.517 -13.551 371 HA ILE 54 HA ILE 54 -19.501 25.169 -15.053 372 HB ILE 54 HB ILE 54 -18.502 25.935 -12.308 373 HG12 ILE 54 HG11 ILE 54 -16.812 25.541 -14.761 374 HG13 ILE 54 HG12 ILE 54 -17.573 27.095 -14.440 375 HG21 ILE 54 HG21 ILE 54 -18.451 23.678 -12.120 376 HG22 ILE 54 HG22 ILE 54 -18.428 23.423 -13.864 377 HG23 ILE 54 HG23 ILE 54 -16.949 23.881 -13.020 378 HD11 ILE 54 HD11 ILE 54 -16.102 25.956 -12.178 379 HD12 ILE 54 HD12 ILE 54 -15.118 26.379 -13.579 380 HD13 ILE 54 HD13 ILE 54 -16.128 27.602 -12.810 381 H LYS 55 HN LYS 55 -21.739 24.595 -15.090 382 HA LYS 55 HA LYS 55 -23.392 24.339 -12.859 383 HB2 LYS 55 HB1 LYS 55 -23.752 23.976 -15.498 384 HB3 LYS 55 HB2 LYS 55 -23.645 22.294 -14.995 385 HG2 LYS 55 HG1 LYS 55 -25.824 22.443 -14.580 386 HG3 LYS 55 HG2 LYS 55 -25.369 23.372 -13.150 387 HD2 LYS 55 HD1 LYS 55 -25.560 24.857 -15.704 388 HD3 LYS 55 HD2 LYS 55 -27.074 24.285 -15.000 389 HE2 LYS 55 HE1 LYS 55 -25.118 25.665 -13.232 390 HE3 LYS 55 HE2 LYS 55 -26.052 26.638 -14.367 391 HZ1 LYS 55 HZ1 LYS 55 -27.030 24.973 -12.133 392 HZ2 LYS 55 HZ2 LYS 55 -28.055 25.417 -13.402 393 HZ3 LYS 55 HZ3 LYS 55 -27.331 26.608 -12.444 394 H ARG 56 HN ARG 56 -20.724 22.420 -13.892 395 HA ARG 56 HA ARG 56 -21.382 19.981 -12.640 396 HB2 ARG 56 HB1 ARG 56 -19.613 20.110 -14.299 397 HB3 ARG 56 HB2 ARG 56 -18.687 21.194 -13.270 398 HG2 ARG 56 HG1 ARG 56 -18.685 19.289 -11.569 399 HG3 ARG 56 HG2 ARG 56 -19.220 18.269 -12.906 400 HD2 ARG 56 HD1 ARG 56 -16.962 19.953 -13.620 401 HD3 ARG 56 HD2 ARG 56 -16.606 18.891 -12.258 402 HE ARG 56 HE ARG 56 -17.044 18.119 -14.996 403 HH11 ARG 56 HH11 ARG 56 -17.085 17.082 -11.673 404 HH12 ARG 56 HH12 ARG 56 -16.870 15.406 -12.057 405 HH21 ARG 56 HH21 ARG 56 -16.762 15.916 -15.515 406 HH22 ARG 56 HH22 ARG 56 -16.686 14.744 -14.243 407 H LEU 57 HN LEU 57 -20.115 22.982 -11.432 408 HA LEU 57 HA LEU 57 -19.683 21.754 -8.793 409 HB2 LEU 57 HB1 LEU 57 -18.492 24.108 -10.178 410 HB3 LEU 57 HB2 LEU 57 -18.580 24.110 -8.418 411 HG LEU 57 HG LEU 57 -16.413 23.358 -8.990 412 HD11 LEU 57 HD11 LEU 57 -18.143 21.835 -7.500 413 HD12 LEU 57 HD12 LEU 57 -16.391 21.644 -7.564 414 HD13 LEU 57 HD13 LEU 57 -17.424 20.656 -8.597 415 HD21 LEU 57 HD21 LEU 57 -16.594 22.809 -11.273 416 HD22 LEU 57 HD22 LEU 57 -17.817 21.577 -10.964 417 HD23 LEU 57 HD23 LEU 57 -16.147 21.308 -10.462 418 H LYS 58 HN LYS 58 -22.206 22.809 -10.189 419 HA LYS 58 HA LYS 58 -24.172 23.707 -9.463 420 HB2 LYS 58 HB1 LYS 58 -22.877 24.416 -6.843 421 HB3 LYS 58 HB2 LYS 58 -24.564 24.035 -7.166 422 HG2 LYS 58 HG1 LYS 58 -23.294 21.733 -7.921 423 HG3 LYS 58 HG2 LYS 58 -22.326 22.272 -6.547 424 HD2 LYS 58 HD1 LYS 58 -24.340 22.421 -5.176 425 HD3 LYS 58 HD2 LYS 58 -25.324 21.917 -6.552 426 HE2 LYS 58 HE1 LYS 58 -23.800 19.838 -6.594 427 HE3 LYS 58 HE2 LYS 58 -23.345 20.323 -4.961 428 HZ1 LYS 58 HZ1 LYS 58 -25.394 18.731 -5.480 429 HZ2 LYS 58 HZ2 LYS 58 -26.196 20.219 -5.531 430 HZ3 LYS 58 HZ3 LYS 58 -25.352 19.760 -4.138 431 H ILE 59 HN ILE 59 -21.923 25.261 -10.651 432 HA ILE 59 HA ILE 59 -22.521 27.942 -9.612 433 HB ILE 59 HB ILE 59 -20.346 27.090 -11.527 434 HG12 ILE 59 HG11 ILE 59 -20.217 27.813 -8.591 435 HG13 ILE 59 HG12 ILE 59 -19.996 26.203 -9.267 436 HG21 ILE 59 HG21 ILE 59 -19.995 29.241 -11.943 437 HG22 ILE 59 HG22 ILE 59 -21.452 29.625 -11.029 438 HG23 ILE 59 HG23 ILE 59 -19.887 29.593 -10.219 439 HD11 ILE 59 HD11 ILE 59 -18.076 28.264 -8.867 440 HD12 ILE 59 HD12 ILE 59 -17.834 26.612 -9.436 441 HD13 ILE 59 HD13 ILE 59 -18.182 27.900 -10.589 442 H SER 60 HN SER 60 -24.276 28.760 -10.572 443 HA SER 60 HA SER 60 -24.855 28.192 -13.358 444 HB2 SER 60 HB1 SER 60 -26.541 30.200 -12.064 445 HB3 SER 60 HB2 SER 60 -26.991 28.674 -12.825 446 HG SER 60 HG SER 60 -26.945 29.204 -10.266 447 H SER 61 HN SER 61 -23.453 30.709 -11.452 448 HA SER 61 HA SER 61 -23.773 32.761 -13.455 449 HB2 SER 61 HB1 SER 61 -21.787 33.021 -11.241 450 HB3 SER 61 HB2 SER 61 -22.892 34.224 -11.905 451 HG SER 61 HG SER 61 -24.602 33.039 -10.879 452 HA PRO 62 HA PRO 62 -20.186 31.938 -15.853 453 HB2 PRO 62 HB1 PRO 62 -19.577 34.448 -16.689 454 HB3 PRO 62 HB2 PRO 62 -20.959 33.538 -17.310 455 HG2 PRO 62 HG1 PRO 62 -20.885 35.671 -15.211 456 HG3 PRO 62 HG2 PRO 62 -22.044 35.443 -16.534 457 HD2 PRO 62 HD1 PRO 62 -22.574 34.696 -13.986 458 HD3 PRO 62 HD2 PRO 62 -23.220 33.823 -15.390 459 H VAL 63 HN VAL 63 -18.256 31.409 -15.062 460 HA VAL 63 HA VAL 63 -16.737 33.438 -13.566 461 HB VAL 63 HB VAL 63 -15.816 31.643 -12.130 462 HG11 VAL 63 HG11 VAL 63 -17.352 32.305 -10.672 463 HG12 VAL 63 HG12 VAL 63 -18.377 32.845 -12.003 464 HG13 VAL 63 HG13 VAL 63 -18.526 31.200 -11.385 465 HG21 VAL 63 HG21 VAL 63 -17.146 29.502 -12.028 466 HG22 VAL 63 HG22 VAL 63 -17.859 29.967 -13.573 467 HG23 VAL 63 HG23 VAL 63 -16.121 29.696 -13.450 468 H ARG 64 HN ARG 64 -14.361 32.552 -13.297 469 HA ARG 64 HA ARG 64 -13.338 32.271 -15.958 470 HB2 ARG 64 HB1 ARG 64 -11.631 31.937 -13.523 471 HB3 ARG 64 HB2 ARG 64 -11.246 32.709 -15.055 472 HG2 ARG 64 HG1 ARG 64 -13.016 33.798 -12.878 473 HG3 ARG 64 HG2 ARG 64 -11.415 34.379 -13.342 474 HD2 ARG 64 HD1 ARG 64 -12.324 34.918 -15.589 475 HD3 ARG 64 HD2 ARG 64 -13.925 34.455 -15.012 476 HE ARG 64 HE ARG 64 -12.897 36.372 -13.263 477 HH11 ARG 64 HH11 ARG 64 -13.941 36.115 -16.574 478 HH12 ARG 64 HH12 ARG 64 -14.440 37.771 -16.683 479 HH21 ARG 64 HH21 ARG 64 -13.550 38.554 -13.393 480 HH22 ARG 64 HH22 ARG 64 -14.216 39.157 -14.873 481 H VAL 65 HN VAL 65 -12.750 30.476 -16.999 482 HA VAL 65 HA VAL 65 -12.263 28.022 -15.466 483 HB VAL 65 HB VAL 65 -13.569 26.697 -17.077 484 HG11 VAL 65 HG11 VAL 65 -15.128 26.858 -15.504 485 HG12 VAL 65 HG12 VAL 65 -14.612 28.497 -15.100 486 HG13 VAL 65 HG13 VAL 65 -15.805 28.235 -16.372 487 HG21 VAL 65 HG21 VAL 65 -15.103 27.790 -18.624 488 HG22 VAL 65 HG22 VAL 65 -14.491 29.370 -18.134 489 HG23 VAL 65 HG23 VAL 65 -13.434 28.238 -18.978 490 H CYS 66 HN CYS 66 -10.657 26.758 -16.250 491 HA CYS 66 HA CYS 66 -8.834 27.828 -18.110 492 HB2 CYS 66 HB1 CYS 66 -7.723 25.594 -17.953 493 HB3 CYS 66 HB2 CYS 66 -8.053 26.335 -16.390 494 H GLN 67 HN GLN 67 -8.191 27.007 -20.169 495 HA GLN 67 HA GLN 67 -10.202 26.704 -22.023 496 HB2 GLN 67 HB1 GLN 67 -8.075 27.306 -22.836 497 HB3 GLN 67 HB2 GLN 67 -7.300 25.918 -22.085 498 HG2 GLN 67 HG1 GLN 67 -8.401 24.430 -23.662 499 HG3 GLN 67 HG2 GLN 67 -9.217 25.806 -24.402 500 HE21 GLN 67 HE21 GLN 67 -6.453 26.877 -26.254 501 HE22 GLN 67 HE22 GLN 67 -8.002 27.291 -25.612 502 H ASN 68 HN ASN 68 -8.479 24.216 -20.226 503 HA ASN 68 HA ASN 68 -9.437 21.984 -21.646 504 HB2 ASN 68 HB1 ASN 68 -7.818 22.451 -19.369 505 HB3 ASN 68 HB2 ASN 68 -9.089 21.338 -18.873 506 HD21 ASN 68 HD21 ASN 68 -8.045 18.727 -21.035 507 HD22 ASN 68 HD22 ASN 68 -9.439 19.461 -20.326 508 H CYS 69 HN CYS 69 -10.793 23.876 -19.021 509 HA CYS 69 HA CYS 69 -12.992 22.048 -18.602 510 HB2 CYS 69 HB1 CYS 69 -12.076 24.613 -17.390 511 HB3 CYS 69 HB2 CYS 69 -13.778 24.191 -17.230 512 H TYR 70 HN TYR 70 -12.594 25.340 -19.891 513 HA TYR 70 HA TYR 70 -15.198 25.930 -20.534 514 HB2 TYR 70 HB1 TYR 70 -13.244 27.463 -20.793 515 HB3 TYR 70 HB2 TYR 70 -12.799 26.588 -22.254 516 HD1 TYR 70 HD1 TYR 70 -15.297 28.832 -20.741 517 HD2 TYR 70 HD2 TYR 70 -13.976 26.934 -24.313 518 HE1 TYR 70 HE1 TYR 70 -16.778 30.290 -22.056 519 HE2 TYR 70 HE2 TYR 70 -15.453 28.388 -25.638 520 HH TYR 70 HH TYR 70 -17.467 30.869 -24.083 521 H TYR 71 HN TYR 71 -12.828 24.304 -22.641 522 HA TYR 71 HA TYR 71 -14.405 23.865 -24.852 523 HB2 TYR 71 HB1 TYR 71 -11.972 22.723 -23.748 524 HB3 TYR 71 HB2 TYR 71 -12.917 21.518 -24.615 525 HD1 TYR 71 HD1 TYR 71 -13.803 22.316 -26.979 526 HD2 TYR 71 HD2 TYR 71 -10.473 24.012 -24.944 527 HE1 TYR 71 HE1 TYR 71 -12.940 23.172 -29.117 528 HE2 TYR 71 HE2 TYR 71 -9.601 24.873 -27.076 529 HH TYR 71 HH TYR 71 -11.448 24.612 -30.057 530 H ASN 72 HN ASN 72 -14.383 22.140 -21.799 531 HA ASN 72 HA ASN 72 -16.199 20.097 -22.759 532 HB2 ASN 72 HB1 ASN 72 -14.319 20.141 -20.766 533 HB3 ASN 72 HB2 ASN 72 -15.812 20.337 -19.853 534 HD21 ASN 72 HD21 ASN 72 -17.123 17.162 -20.977 535 HD22 ASN 72 HD22 ASN 72 -17.613 18.813 -20.839 536 H LEU 73 HN LEU 73 -16.331 23.093 -20.980 537 HA LEU 73 HA LEU 73 -18.966 22.737 -19.946 538 HB2 LEU 73 HB1 LEU 73 -17.201 25.142 -20.311 539 HB3 LEU 73 HB2 LEU 73 -18.828 25.256 -19.642 540 HG LEU 73 HG LEU 73 -16.620 23.594 -18.435 541 HD11 LEU 73 HD11 LEU 73 -15.946 25.891 -18.321 542 HD12 LEU 73 HD12 LEU 73 -16.522 25.396 -16.729 543 HD13 LEU 73 HD13 LEU 73 -17.548 26.382 -17.770 544 HD21 LEU 73 HD21 LEU 73 -18.071 23.015 -16.807 545 HD22 LEU 73 HD22 LEU 73 -19.270 23.319 -18.065 546 HD23 LEU 73 HD23 LEU 73 -18.920 24.561 -16.862 547 H GLN 74 HN GLN 74 -17.660 23.758 -22.973 548 HA GLN 74 HA GLN 74 -20.095 25.063 -23.841 549 HB2 GLN 74 HB1 GLN 74 -17.541 24.382 -25.304 550 HB3 GLN 74 HB2 GLN 74 -18.890 25.251 -26.024 551 HG2 GLN 74 HG1 GLN 74 -17.110 26.143 -23.776 552 HG3 GLN 74 HG2 GLN 74 -17.279 26.858 -25.378 553 HE21 GLN 74 HE21 GLN 74 -19.721 27.915 -22.360 554 HE22 GLN 74 HE22 GLN 74 -18.451 26.757 -22.179 555 H HIS 75 HN HIS 75 -18.534 21.956 -24.151 556 HA HIS 75 HA HIS 75 -20.117 20.984 -26.302 557 HB2 HIS 75 HB1 HIS 75 -17.862 20.095 -25.245 558 HB3 HIS 75 HB2 HIS 75 -18.960 19.127 -24.267 559 HD1 HIS 75 HD1 HIS 75 -19.928 17.072 -25.330 560 HD2 HIS 75 HD2 HIS 75 -18.075 19.571 -28.084 561 HE1 HIS 75 HE1 HIS 75 -19.879 15.778 -27.486 562 H GLU 76 HN GLU 76 -20.547 21.145 -22.847 563 HA GLU 76 HA GLU 76 -22.836 19.360 -22.888 564 HB2 GLU 76 HB1 GLU 76 -22.874 19.571 -20.525 565 HB3 GLU 76 HB2 GLU 76 -21.179 19.471 -20.982 566 HG2 GLU 76 HG1 GLU 76 -20.923 21.242 -19.656 567 HG3 GLU 76 HG2 GLU 76 -21.588 22.158 -21.008 568 H ARG 77 HN ARG 77 -22.155 22.754 -22.990 569 HA ARG 77 HA ARG 77 -24.810 23.585 -22.251 570 HB2 ARG 77 HB1 ARG 77 -22.259 24.865 -22.858 571 HB3 ARG 77 HB2 ARG 77 -23.628 25.726 -23.549 572 HG2 ARG 77 HG1 ARG 77 -24.634 26.007 -21.412 573 HG3 ARG 77 HG2 ARG 77 -23.470 24.915 -20.658 574 HD2 ARG 77 HD1 ARG 77 -22.607 26.972 -20.085 575 HD3 ARG 77 HD2 ARG 77 -21.714 26.616 -21.563 576 HE ARG 77 HE ARG 77 -24.039 28.035 -22.229 577 HH11 ARG 77 HH11 ARG 77 -20.996 28.504 -20.606 578 HH12 ARG 77 HH12 ARG 77 -20.907 30.193 -20.982 579 HH21 ARG 77 HH21 ARG 77 -23.934 30.257 -22.730 580 HH22 ARG 77 HH22 ARG 77 -22.579 31.189 -22.190 581 H GLY 78 HN GLY 78 -23.042 22.976 -25.219 582 HA2 GLY 78 HA2 GLY 78 -25.573 23.192 -26.690 583 HA3 GLY 78 HA1 GLY 78 -24.192 24.116 -27.264 Start of MODEL 7 1 H1 SER 1 HN SER 1 0.768 6.194 9.974 2 HA SER 1 HA SER 1 2.482 7.499 11.712 3 HB2 SER 1 HB1 SER 1 3.908 5.446 10.005 4 HB3 SER 1 HB2 SER 1 4.712 6.753 10.876 5 HG SER 1 HG SER 1 3.379 4.491 11.892 6 H ASN 2 HN ASN 2 1.943 9.376 10.753 7 HA ASN 2 HA ASN 2 2.712 9.713 7.929 8 HB2 ASN 2 HB1 ASN 2 0.328 10.879 9.377 9 HB3 ASN 2 HB2 ASN 2 0.865 11.416 7.789 10 HD21 ASN 2 HD21 ASN 2 -1.217 7.976 8.250 11 HD22 ASN 2 HD22 ASN 2 -0.661 8.899 9.601 12 H ALA 3 HN ALA 3 2.743 12.247 7.476 13 HA ALA 3 HA ALA 3 3.563 13.973 9.555 14 HB1 ALA 3 HB1 ALA 3 5.744 13.620 9.778 15 HB2 ALA 3 HB2 ALA 3 5.548 12.157 8.812 16 HB3 ALA 3 HB3 ALA 3 5.989 13.676 8.032 17 H GLY 4 HN GLY 4 5.223 15.718 8.295 18 HA2 GLY 4 HA2 GLY 4 3.455 16.960 6.425 19 HA3 GLY 4 HA1 GLY 4 5.043 17.545 6.902 20 H ARG 5 HN ARG 5 6.156 17.904 5.096 21 HA ARG 5 HA ARG 5 6.867 15.727 3.391 22 HB2 ARG 5 HB1 ARG 5 4.590 17.292 2.650 23 HB3 ARG 5 HB2 ARG 5 5.892 17.620 1.514 24 HG2 ARG 5 HG1 ARG 5 5.181 14.805 2.223 25 HG3 ARG 5 HG2 ARG 5 4.237 15.699 1.030 26 HD2 ARG 5 HD1 ARG 5 6.687 16.232 0.112 27 HD3 ARG 5 HD2 ARG 5 7.016 14.685 0.891 28 HE ARG 5 HE ARG 5 4.781 14.227 -0.601 29 HH11 ARG 5 HH11 ARG 5 7.971 15.448 -1.272 30 HH12 ARG 5 HH12 ARG 5 8.001 14.847 -2.897 31 HH21 ARG 5 HH21 ARG 5 4.808 13.430 -2.738 32 HH22 ARG 5 HH22 ARG 5 6.201 13.700 -3.730 33 H SER 6 HN SER 6 8.321 16.484 1.586 34 HA SER 6 HA SER 6 10.136 18.466 2.660 35 HB2 SER 6 HB1 SER 6 10.292 16.600 0.290 36 HB3 SER 6 HB2 SER 6 11.550 17.777 0.665 37 HG SER 6 HG SER 6 12.190 16.585 2.289 38 H ALA 7 HN ALA 7 10.338 20.507 2.000 39 HA ALA 7 HA ALA 7 10.049 22.443 0.837 40 HB1 ALA 7 HB1 ALA 7 9.417 21.899 -1.737 41 HB2 ALA 7 HB2 ALA 7 11.060 21.896 -1.096 42 HB3 ALA 7 HB3 ALA 7 10.174 20.380 -1.254 43 H ALA 8 HN ALA 8 7.816 20.685 -1.233 44 HA ALA 8 HA ALA 8 5.543 20.742 -1.456 45 HB1 ALA 8 HB1 ALA 8 4.306 20.727 0.416 46 HB2 ALA 8 HB2 ALA 8 5.864 20.768 1.243 47 HB3 ALA 8 HB3 ALA 8 4.965 22.262 0.984 48 H ASP 9 HN ASP 9 7.531 23.398 -1.170 49 HA ASP 9 HA ASP 9 6.217 24.973 -3.018 50 HB2 ASP 9 HB1 ASP 9 4.912 25.111 -0.521 51 HB3 ASP 9 HB2 ASP 9 5.788 26.628 -0.701 52 H HIS 10 HN HIS 10 8.850 24.175 -2.185 53 HA HIS 10 HA HIS 10 10.179 26.515 -1.147 54 HB2 HIS 10 HB1 HIS 10 12.006 25.183 -0.896 55 HB3 HIS 10 HB2 HIS 10 10.811 23.899 -1.059 56 HD1 HIS 10 HD1 HIS 10 10.862 22.500 -3.210 57 HD2 HIS 10 HD2 HIS 10 13.714 25.519 -3.109 58 HE1 HIS 10 HE1 HIS 10 12.426 22.012 -5.118 59 H TRP 11 HN TRP 11 9.096 25.498 -4.178 60 HA TRP 11 HA TRP 11 11.110 27.033 -5.640 61 HB2 TRP 11 HB1 TRP 11 9.946 24.684 -6.273 62 HB3 TRP 11 HB2 TRP 11 8.843 25.789 -7.089 63 HD1 TRP 11 HD1 TRP 11 10.337 27.735 -8.660 64 HE1 TRP 11 HE1 TRP 11 12.198 27.173 -10.347 65 HE3 TRP 11 HE3 TRP 11 11.630 23.101 -6.929 66 HZ2 TRP 11 HZ2 TRP 11 13.978 25.047 -10.874 67 HZ3 TRP 11 HZ3 TRP 11 13.422 21.870 -8.081 68 HH2 TRP 11 HH2 TRP 11 14.570 22.824 -10.013 69 H VAL 12 HN VAL 12 9.106 28.292 -3.876 70 HA VAL 12 HA VAL 12 8.422 30.482 -5.509 71 HB VAL 12 HB VAL 12 6.710 28.756 -6.267 72 HG11 VAL 12 HG11 VAL 12 4.800 28.360 -4.849 73 HG12 VAL 12 HG12 VAL 12 6.265 27.850 -4.006 74 HG13 VAL 12 HG13 VAL 12 5.487 29.376 -3.581 75 HG21 VAL 12 HG21 VAL 12 5.384 30.465 -6.872 76 HG22 VAL 12 HG22 VAL 12 5.115 30.977 -5.206 77 HG23 VAL 12 HG23 VAL 12 6.583 31.466 -6.053 78 H LYS 13 HN LYS 13 7.215 32.143 -4.339 79 HA LYS 13 HA LYS 13 6.784 31.731 -1.503 80 HB2 LYS 13 HB1 LYS 13 9.168 33.050 -2.568 81 HB3 LYS 13 HB2 LYS 13 8.278 34.051 -1.429 82 HG2 LYS 13 HG1 LYS 13 9.462 32.986 0.131 83 HG3 LYS 13 HG2 LYS 13 8.334 31.654 -0.133 84 HD2 LYS 13 HD1 LYS 13 10.057 31.096 -2.079 85 HD3 LYS 13 HD2 LYS 13 11.157 31.965 -1.006 86 HE2 LYS 13 HE1 LYS 13 9.994 30.373 0.792 87 HE3 LYS 13 HE2 LYS 13 9.789 29.360 -0.636 88 HZ1 LYS 13 HZ1 LYS 13 12.242 30.162 0.738 89 HZ2 LYS 13 HZ2 LYS 13 12.316 29.968 -0.941 90 HZ3 LYS 13 HZ3 LYS 13 11.832 28.677 0.039 91 H ASP 14 HN ASP 14 4.643 32.277 -1.903 92 HA ASP 14 HA ASP 14 4.107 35.106 -1.974 93 HB2 ASP 14 HB1 ASP 14 3.629 33.384 -4.334 94 HB3 ASP 14 HB2 ASP 14 2.304 34.453 -3.881 95 H GLU 15 HN GLU 15 3.708 32.648 -0.299 96 HA GLU 15 HA GLU 15 2.163 31.958 1.229 97 HB2 GLU 15 HB1 GLU 15 1.297 34.538 0.511 98 HB3 GLU 15 HB2 GLU 15 -0.134 33.519 0.455 99 HG2 GLU 15 HG1 GLU 15 -0.011 34.424 2.633 100 HG3 GLU 15 HG2 GLU 15 0.448 32.727 2.756 101 H GLY 16 HN GLY 16 -0.044 32.905 -1.394 102 HA2 GLY 16 HA2 GLY 16 -1.099 30.181 -1.419 103 HA3 GLY 16 HA1 GLY 16 -1.828 31.585 -2.185 104 H GLY 17 HN GLY 17 -0.749 32.432 -4.134 105 HA2 GLY 17 HA2 GLY 17 1.273 31.265 -5.566 106 HA3 GLY 17 HA1 GLY 17 -0.133 30.272 -5.919 107 H ASP 18 HN ASP 18 1.277 33.465 -6.219 108 HA ASP 18 HA ASP 18 -0.901 34.385 -7.914 109 HB2 ASP 18 HB1 ASP 18 1.674 35.800 -7.196 110 HB3 ASP 18 HB2 ASP 18 0.242 36.523 -7.923 111 H SER 19 HN SER 19 0.302 32.186 -9.013 112 HA SER 19 HA SER 19 1.476 33.337 -11.430 113 HB2 SER 19 HB1 SER 19 2.772 30.820 -10.804 114 HB3 SER 19 HB2 SER 19 3.493 32.380 -11.199 115 HG SER 19 HG SER 19 3.222 31.175 -8.792 116 H CYS 20 HN CYS 20 1.113 32.140 -13.310 117 HA CYS 20 HA CYS 20 -1.282 30.716 -13.450 118 HB2 CYS 20 HB1 CYS 20 -0.143 31.880 -15.355 119 HB3 CYS 20 HB2 CYS 20 1.007 30.549 -15.418 120 H SER 21 HN SER 21 -1.690 28.497 -13.964 121 HA SER 21 HA SER 21 0.156 26.699 -12.583 122 HB2 SER 21 HB1 SER 21 -2.632 26.927 -12.592 123 HB3 SER 21 HB2 SER 21 -2.298 25.458 -13.509 124 HG SER 21 HG SER 21 -1.697 24.510 -11.734 125 H GLY 22 HN GLY 22 -1.217 27.325 -15.732 126 HA2 GLY 22 HA2 GLY 22 0.014 24.893 -16.818 127 HA3 GLY 22 HA1 GLY 22 -1.133 25.930 -17.654 128 H CYS 23 HN CYS 23 0.860 28.071 -16.304 129 HA CYS 23 HA CYS 23 2.854 27.942 -18.464 130 HB2 CYS 23 HB1 CYS 23 1.265 30.357 -17.580 131 HB3 CYS 23 HB2 CYS 23 2.684 30.445 -18.619 132 H SER 24 HN SER 24 2.057 28.690 -15.187 133 HA SER 24 HA SER 24 3.353 29.021 -13.343 134 HB2 SER 24 HB1 SER 24 5.917 28.762 -14.829 135 HB3 SER 24 HB2 SER 24 5.433 28.061 -13.285 136 HG SER 24 HG SER 24 4.039 26.655 -14.546 137 H VAL 25 HN VAL 25 2.928 31.066 -15.663 138 HA VAL 25 HA VAL 25 5.061 32.951 -15.311 139 HB VAL 25 HB VAL 25 3.923 33.001 -17.408 140 HG11 VAL 25 HG11 VAL 25 1.805 32.272 -17.384 141 HG12 VAL 25 HG12 VAL 25 1.537 32.817 -15.727 142 HG13 VAL 25 HG13 VAL 25 1.384 33.955 -17.067 143 HG21 VAL 25 HG21 VAL 25 2.666 35.447 -16.454 144 HG22 VAL 25 HG22 VAL 25 4.309 35.239 -15.847 145 HG23 VAL 25 HG23 VAL 25 4.003 35.228 -17.584 146 H ARG 26 HN ARG 26 5.282 34.419 -13.758 147 HA ARG 26 HA ARG 26 3.445 34.594 -11.603 148 HB2 ARG 26 HB1 ARG 26 5.599 36.617 -12.172 149 HB3 ARG 26 HB2 ARG 26 4.964 36.104 -10.615 150 HG2 ARG 26 HG1 ARG 26 6.723 34.520 -12.471 151 HG3 ARG 26 HG2 ARG 26 7.149 35.183 -10.892 152 HD2 ARG 26 HD1 ARG 26 4.897 33.648 -10.396 153 HD3 ARG 26 HD2 ARG 26 5.810 32.700 -11.569 154 HE ARG 26 HE ARG 26 7.388 33.703 -9.379 155 HH11 ARG 26 HH11 ARG 26 5.361 31.111 -10.517 156 HH12 ARG 26 HH12 ARG 26 6.033 29.936 -9.435 157 HH21 ARG 26 HH21 ARG 26 8.281 32.165 -7.950 158 HH22 ARG 26 HH22 ARG 26 7.693 30.537 -7.975 159 H PHE 27 HN PHE 27 1.534 35.560 -11.733 160 HA PHE 27 HA PHE 27 0.694 37.338 -13.686 161 HB2 PHE 27 HB1 PHE 27 -0.352 37.157 -10.854 162 HB3 PHE 27 HB2 PHE 27 -1.213 37.811 -12.243 163 HD1 PHE 27 HD1 PHE 27 -1.165 35.140 -10.163 164 HD2 PHE 27 HD2 PHE 27 -1.049 35.989 -14.332 165 HE1 PHE 27 HE1 PHE 27 -2.078 32.905 -10.640 166 HE2 PHE 27 HE2 PHE 27 -1.963 33.757 -14.816 167 HZ PHE 27 HZ PHE 27 -2.479 32.211 -12.969 168 H SER 28 HN SER 28 0.732 39.506 -13.951 169 HA SER 28 HA SER 28 1.614 41.229 -11.777 170 HB2 SER 28 HB1 SER 28 3.408 42.249 -13.090 171 HB3 SER 28 HB2 SER 28 3.706 40.522 -12.891 172 HG SER 28 HG SER 28 4.004 41.362 -15.067 173 H LEU 29 HN LEU 29 2.005 43.559 -13.129 174 HA LEU 29 HA LEU 29 -0.607 44.441 -13.634 175 HB2 LEU 29 HB1 LEU 29 1.819 45.835 -14.706 176 HB3 LEU 29 HB2 LEU 29 0.318 46.536 -14.105 177 HG LEU 29 HG LEU 29 1.279 45.309 -11.869 178 HD11 LEU 29 HD11 LEU 29 3.720 46.364 -11.970 179 HD12 LEU 29 HD12 LEU 29 3.554 45.911 -13.666 180 HD13 LEU 29 HD13 LEU 29 3.392 44.687 -12.407 181 HD21 LEU 29 HD21 LEU 29 0.386 47.614 -12.148 182 HD22 LEU 29 HD22 LEU 29 1.969 48.109 -12.747 183 HD23 LEU 29 HD23 LEU 29 1.797 47.518 -11.094 184 H THR 30 HN THR 30 1.636 42.842 -15.650 185 HA THR 30 HA THR 30 0.223 43.681 -18.084 186 HB THR 30 HB THR 30 2.071 42.571 -19.312 187 HG1 THR 30 HG1 THR 30 3.153 41.165 -18.153 188 HG21 THR 30 HG21 THR 30 2.173 44.976 -18.748 189 HG22 THR 30 HG22 THR 30 3.771 44.235 -18.832 190 HG23 THR 30 HG23 THR 30 3.035 44.571 -17.265 191 H GLU 31 HN GLU 31 0.647 41.031 -15.925 192 HA GLU 31 HA GLU 31 -0.890 39.305 -17.754 193 HB2 GLU 31 HB1 GLU 31 1.394 38.463 -17.397 194 HB3 GLU 31 HB2 GLU 31 1.117 38.452 -15.661 195 HG2 GLU 31 HG1 GLU 31 0.838 36.235 -16.336 196 HG3 GLU 31 HG2 GLU 31 -0.798 36.857 -16.123 197 H ARG 32 HN ARG 32 -2.930 39.264 -17.080 198 HA ARG 32 HA ARG 32 -3.686 39.763 -14.370 199 HB2 ARG 32 HB1 ARG 32 -5.127 39.090 -16.899 200 HB3 ARG 32 HB2 ARG 32 -5.972 38.896 -15.369 201 HG2 ARG 32 HG1 ARG 32 -4.788 41.411 -15.219 202 HG3 ARG 32 HG2 ARG 32 -5.411 41.288 -16.865 203 HD2 ARG 32 HD1 ARG 32 -7.476 40.257 -15.431 204 HD3 ARG 32 HD2 ARG 32 -6.840 41.455 -14.305 205 HE ARG 32 HE ARG 32 -7.120 42.570 -16.892 206 HH11 ARG 32 HH11 ARG 32 -8.970 41.566 -14.120 207 HH12 ARG 32 HH12 ARG 32 -10.265 42.679 -14.417 208 HH21 ARG 32 HH21 ARG 32 -8.818 44.039 -17.295 209 HH22 ARG 32 HH22 ARG 32 -10.177 44.084 -16.225 210 H ARG 33 HN ARG 33 -5.225 38.233 -13.229 211 HA ARG 33 HA ARG 33 -4.309 35.450 -13.535 212 HB2 ARG 33 HB1 ARG 33 -4.253 35.184 -11.152 213 HB3 ARG 33 HB2 ARG 33 -3.303 36.606 -11.561 214 HG2 ARG 33 HG1 ARG 33 -4.820 38.059 -10.634 215 HG3 ARG 33 HG2 ARG 33 -6.170 36.939 -10.827 216 HD2 ARG 33 HD1 ARG 33 -5.543 35.675 -8.969 217 HD3 ARG 33 HD2 ARG 33 -3.901 36.317 -8.973 218 HE ARG 33 HE ARG 33 -4.630 38.116 -7.750 219 HH11 ARG 33 HH11 ARG 33 -7.372 36.393 -9.027 220 HH12 ARG 33 HH12 ARG 33 -8.531 37.287 -8.101 221 HH21 ARG 33 HH21 ARG 33 -6.146 39.300 -6.525 222 HH22 ARG 33 HH22 ARG 33 -7.833 38.941 -6.678 223 H HIS 34 HN HIS 34 -5.804 33.813 -12.972 224 HA HIS 34 HA HIS 34 -8.542 34.597 -12.377 225 HB2 HIS 34 HB1 HIS 34 -7.875 32.980 -14.845 226 HB3 HIS 34 HB2 HIS 34 -9.487 33.418 -14.288 227 HD1 HIS 34 HD1 HIS 34 -6.357 35.014 -15.688 228 HD2 HIS 34 HD2 HIS 34 -10.394 35.848 -15.163 229 HE1 HIS 34 HE1 HIS 34 -6.769 37.159 -16.935 230 H HIS 35 HN HIS 35 -9.317 33.256 -10.896 231 HA HIS 35 HA HIS 35 -8.011 30.669 -10.504 232 HB2 HIS 35 HB1 HIS 35 -8.214 32.145 -8.552 233 HB3 HIS 35 HB2 HIS 35 -9.965 32.165 -8.742 234 HD1 HIS 35 HD1 HIS 35 -11.217 30.433 -7.479 235 HD2 HIS 35 HD2 HIS 35 -7.207 29.444 -7.928 236 HE1 HIS 35 HE1 HIS 35 -10.884 28.343 -6.121 237 H CYS 36 HN CYS 36 -8.875 29.031 -11.593 238 HA CYS 36 HA CYS 36 -11.494 28.986 -12.632 239 HB2 CYS 36 HB1 CYS 36 -9.527 27.659 -13.481 240 HB3 CYS 36 HB2 CYS 36 -9.737 26.586 -12.101 241 H ARG 37 HN ARG 37 -13.374 28.539 -11.700 242 HA ARG 37 HA ARG 37 -13.443 27.664 -8.946 243 HB2 ARG 37 HB1 ARG 37 -15.915 28.004 -10.588 244 HB3 ARG 37 HB2 ARG 37 -15.633 28.397 -8.897 245 HG2 ARG 37 HG1 ARG 37 -14.568 29.920 -11.267 246 HG3 ARG 37 HG2 ARG 37 -15.913 30.405 -10.232 247 HD2 ARG 37 HD1 ARG 37 -13.364 29.790 -8.872 248 HD3 ARG 37 HD2 ARG 37 -13.383 31.240 -9.875 249 HE ARG 37 HE ARG 37 -15.613 31.045 -8.069 250 HH11 ARG 37 HH11 ARG 37 -12.317 32.097 -8.456 251 HH12 ARG 37 HH12 ARG 37 -12.407 33.276 -7.189 252 HH21 ARG 37 HH21 ARG 37 -15.744 32.593 -6.399 253 HH22 ARG 37 HH22 ARG 37 -14.357 33.556 -6.019 254 H ASN 38 HN ASN 38 -13.086 26.036 -11.728 255 HA ASN 38 HA ASN 38 -14.947 23.870 -11.135 256 HB2 ASN 38 HB1 ASN 38 -14.386 24.783 -13.499 257 HB3 ASN 38 HB2 ASN 38 -12.913 23.830 -13.348 258 HD21 ASN 38 HD21 ASN 38 -15.959 22.021 -14.839 259 HD22 ASN 38 HD22 ASN 38 -15.487 23.676 -14.987 260 H CYS 39 HN CYS 39 -11.476 24.513 -11.239 261 HA CYS 39 HA CYS 39 -11.027 21.937 -9.879 262 HB2 CYS 39 HB1 CYS 39 -8.569 22.501 -10.772 263 HB3 CYS 39 HB2 CYS 39 -9.745 21.618 -11.740 264 H GLY 40 HN GLY 40 -10.269 25.367 -9.964 265 HA2 GLY 40 HA2 GLY 40 -9.969 26.628 -7.964 266 HA3 GLY 40 HA1 GLY 40 -9.402 25.169 -7.165 267 H GLN 41 HN GLN 41 -8.220 25.959 -10.326 268 HA GLN 41 HA GLN 41 -5.600 26.565 -9.136 269 HB2 GLN 41 HB1 GLN 41 -6.115 25.689 -11.975 270 HB3 GLN 41 HB2 GLN 41 -4.583 25.705 -11.111 271 HG2 GLN 41 HG1 GLN 41 -6.192 24.080 -9.564 272 HG3 GLN 41 HG2 GLN 41 -6.636 23.667 -11.219 273 HE21 GLN 41 HE21 GLN 41 -3.797 21.804 -11.808 274 HE22 GLN 41 HE22 GLN 41 -5.381 22.301 -12.287 275 H LEU 42 HN LEU 42 -4.309 28.230 -10.030 276 HA LEU 42 HA LEU 42 -5.895 30.412 -11.152 277 HB2 LEU 42 HB1 LEU 42 -3.562 30.191 -9.424 278 HB3 LEU 42 HB2 LEU 42 -3.357 31.390 -10.700 279 HG LEU 42 HG LEU 42 -5.749 31.395 -8.878 280 HD11 LEU 42 HD11 LEU 42 -4.584 33.070 -7.525 281 HD12 LEU 42 HD12 LEU 42 -3.114 32.800 -8.461 282 HD13 LEU 42 HD13 LEU 42 -3.775 31.504 -7.464 283 HD21 LEU 42 HD21 LEU 42 -6.370 33.101 -10.149 284 HD22 LEU 42 HD22 LEU 42 -4.924 32.905 -11.141 285 HD23 LEU 42 HD23 LEU 42 -4.888 33.957 -9.725 286 H PHE 43 HN PHE 43 -5.705 31.084 -13.191 287 HA PHE 43 HA PHE 43 -3.343 30.253 -14.735 288 HB2 PHE 43 HB1 PHE 43 -6.214 30.162 -15.687 289 HB3 PHE 43 HB2 PHE 43 -4.800 29.830 -16.683 290 HD1 PHE 43 HD1 PHE 43 -3.280 27.901 -15.951 291 HD2 PHE 43 HD2 PHE 43 -7.245 28.455 -14.507 292 HE1 PHE 43 HE1 PHE 43 -3.363 25.535 -15.282 293 HE2 PHE 43 HE2 PHE 43 -7.335 26.090 -13.835 294 HZ PHE 43 HZ PHE 43 -5.392 24.627 -14.222 295 H CYS 44 HN CYS 44 -3.171 31.510 -16.827 296 HA CYS 44 HA CYS 44 -3.637 34.331 -16.226 297 HB2 CYS 44 HB1 CYS 44 -2.010 34.773 -18.010 298 HB3 CYS 44 HB2 CYS 44 -1.354 33.661 -16.813 299 H GLN 45 HN GLN 45 -4.299 35.781 -17.991 300 HA GLN 45 HA GLN 45 -6.739 35.037 -19.110 301 HB2 GLN 45 HB1 GLN 45 -6.754 37.142 -20.187 302 HB3 GLN 45 HB2 GLN 45 -5.860 37.383 -18.692 303 HG2 GLN 45 HG1 GLN 45 -3.754 37.185 -19.951 304 HG3 GLN 45 HG2 GLN 45 -4.685 37.031 -21.440 305 HE21 GLN 45 HE21 GLN 45 -3.700 40.521 -21.287 306 HE22 GLN 45 HE22 GLN 45 -2.975 38.971 -21.529 307 H LYS 46 HN LYS 46 -3.546 34.452 -20.201 308 HA LYS 46 HA LYS 46 -4.335 33.992 -22.961 309 HB2 LYS 46 HB1 LYS 46 -1.887 34.536 -21.595 310 HB3 LYS 46 HB2 LYS 46 -1.717 33.004 -22.441 311 HG2 LYS 46 HG1 LYS 46 -0.983 34.933 -23.780 312 HG3 LYS 46 HG2 LYS 46 -2.304 34.036 -24.534 313 HD2 LYS 46 HD1 LYS 46 -3.317 36.126 -22.820 314 HD3 LYS 46 HD2 LYS 46 -2.200 36.779 -24.020 315 HE2 LYS 46 HE1 LYS 46 -3.491 35.994 -25.811 316 HE3 LYS 46 HE2 LYS 46 -4.389 34.874 -24.787 317 HZ1 LYS 46 HZ1 LYS 46 -4.606 37.834 -24.795 318 HZ2 LYS 46 HZ2 LYS 46 -5.378 36.828 -23.677 319 HZ3 LYS 46 HZ3 LYS 46 -5.776 36.730 -25.318 320 H CYS 47 HN CYS 47 -4.143 32.252 -20.044 321 HA CYS 47 HA CYS 47 -3.738 29.663 -21.272 322 HB2 CYS 47 HB1 CYS 47 -3.559 30.735 -18.641 323 HB3 CYS 47 HB2 CYS 47 -4.745 29.434 -18.609 324 H SER 48 HN SER 48 -6.392 31.342 -19.600 325 HA SER 48 HA SER 48 -8.264 29.277 -20.451 326 HB2 SER 48 HB1 SER 48 -8.991 29.795 -18.368 327 HB3 SER 48 HB2 SER 48 -8.227 31.384 -18.392 328 HG SER 48 HG SER 48 -10.364 31.808 -18.435 329 H ARG 49 HN ARG 49 -7.668 32.733 -20.911 330 HA ARG 49 HA ARG 49 -8.715 34.266 -22.281 331 HB2 ARG 49 HB1 ARG 49 -8.517 33.552 -24.697 332 HB3 ARG 49 HB2 ARG 49 -7.038 33.446 -23.751 333 HG2 ARG 49 HG1 ARG 49 -7.473 31.021 -23.446 334 HG3 ARG 49 HG2 ARG 49 -8.852 31.177 -24.537 335 HD2 ARG 49 HD1 ARG 49 -6.773 32.378 -25.913 336 HD3 ARG 49 HD2 ARG 49 -6.016 30.990 -25.132 337 HE ARG 49 HE ARG 49 -7.221 29.592 -26.501 338 HH11 ARG 49 HH11 ARG 49 -8.473 32.831 -26.739 339 HH12 ARG 49 HH12 ARG 49 -9.494 32.476 -28.093 340 HH21 ARG 49 HH21 ARG 49 -8.561 29.112 -28.283 341 HH22 ARG 49 HH22 ARG 49 -9.544 30.361 -28.970 342 H PHE 50 HN PHE 50 -10.564 32.358 -20.983 343 HA PHE 50 HA PHE 50 -12.821 32.770 -22.798 344 HB2 PHE 50 HB1 PHE 50 -12.126 30.143 -21.475 345 HB3 PHE 50 HB2 PHE 50 -13.697 30.490 -22.190 346 HD1 PHE 50 HD1 PHE 50 -13.033 31.881 -24.640 347 HD2 PHE 50 HD2 PHE 50 -11.111 28.558 -22.801 348 HE1 PHE 50 HE1 PHE 50 -12.193 31.155 -26.836 349 HE2 PHE 50 HE2 PHE 50 -10.268 27.828 -24.994 350 HZ PHE 50 HZ PHE 50 -10.808 29.127 -27.015 351 H GLN 51 HN GLN 51 -14.935 32.167 -21.561 352 HA GLN 51 HA GLN 51 -14.852 32.511 -18.709 353 HB2 GLN 51 HB1 GLN 51 -15.111 34.820 -20.425 354 HB3 GLN 51 HB2 GLN 51 -16.558 34.614 -19.447 355 HG2 GLN 51 HG1 GLN 51 -15.336 34.757 -17.434 356 HG3 GLN 51 HG2 GLN 51 -13.795 34.594 -18.274 357 HE21 GLN 51 HE21 GLN 51 -14.861 38.177 -17.368 358 HE22 GLN 51 HE22 GLN 51 -15.136 36.702 -16.512 359 H SER 52 HN SER 52 -16.527 31.469 -17.849 360 HA SER 52 HA SER 52 -19.167 31.554 -18.832 361 HB2 SER 52 HB1 SER 52 -17.496 29.691 -20.175 362 HB3 SER 52 HB2 SER 52 -18.594 28.766 -19.151 363 HG SER 52 HG SER 52 -20.218 29.344 -20.369 364 H GLU 53 HN GLU 53 -20.518 29.717 -17.768 365 HA GLU 53 HA GLU 53 -19.814 29.724 -14.965 366 HB2 GLU 53 HB1 GLU 53 -22.051 28.610 -14.700 367 HB3 GLU 53 HB2 GLU 53 -22.099 30.190 -15.469 368 HG2 GLU 53 HG1 GLU 53 -23.207 29.315 -17.163 369 HG3 GLU 53 HG2 GLU 53 -21.819 28.292 -17.529 370 H ILE 54 HN ILE 54 -20.697 27.479 -13.882 371 HA ILE 54 HA ILE 54 -19.454 25.220 -15.267 372 HB ILE 54 HB ILE 54 -18.788 25.849 -12.394 373 HG12 ILE 54 HG11 ILE 54 -16.990 26.220 -14.796 374 HG13 ILE 54 HG12 ILE 54 -17.868 27.537 -14.025 375 HG21 ILE 54 HG21 ILE 54 -18.455 23.592 -12.617 376 HG22 ILE 54 HG22 ILE 54 -18.052 23.709 -14.330 377 HG23 ILE 54 HG23 ILE 54 -16.875 24.199 -13.111 378 HD11 ILE 54 HD11 ILE 54 -16.272 27.764 -12.515 379 HD12 ILE 54 HD12 ILE 54 -16.406 26.067 -12.055 380 HD13 ILE 54 HD13 ILE 54 -15.336 26.542 -13.374 381 H LYS 55 HN LYS 55 -21.645 24.521 -15.496 382 HA LYS 55 HA LYS 55 -23.491 24.172 -13.454 383 HB2 LYS 55 HB1 LYS 55 -23.052 22.996 -16.132 384 HB3 LYS 55 HB2 LYS 55 -24.057 22.051 -15.041 385 HG2 LYS 55 HG1 LYS 55 -24.539 24.945 -15.717 386 HG3 LYS 55 HG2 LYS 55 -25.330 23.582 -16.514 387 HD2 LYS 55 HD1 LYS 55 -26.799 23.367 -14.851 388 HD3 LYS 55 HD2 LYS 55 -25.517 23.371 -13.637 389 HE2 LYS 55 HE1 LYS 55 -25.840 25.534 -13.139 390 HE3 LYS 55 HE2 LYS 55 -26.030 25.991 -14.831 391 HZ1 LYS 55 HZ1 LYS 55 -28.154 24.607 -13.298 392 HZ2 LYS 55 HZ2 LYS 55 -28.294 25.391 -14.790 393 HZ3 LYS 55 HZ3 LYS 55 -28.038 26.293 -13.381 394 H ARG 56 HN ARG 56 -20.735 22.206 -14.355 395 HA ARG 56 HA ARG 56 -21.376 19.888 -12.901 396 HB2 ARG 56 HB1 ARG 56 -19.604 19.924 -14.580 397 HB3 ARG 56 HB2 ARG 56 -18.669 21.041 -13.594 398 HG2 ARG 56 HG1 ARG 56 -18.696 19.225 -11.807 399 HG3 ARG 56 HG2 ARG 56 -19.262 18.147 -13.085 400 HD2 ARG 56 HD1 ARG 56 -16.829 19.831 -13.512 401 HD3 ARG 56 HD2 ARG 56 -16.714 18.340 -12.579 402 HE ARG 56 HE ARG 56 -18.032 17.946 -15.079 403 HH11 ARG 56 HH11 ARG 56 -14.912 18.273 -13.569 404 HH12 ARG 56 HH12 ARG 56 -14.081 17.369 -14.791 405 HH21 ARG 56 HH21 ARG 56 -16.949 16.754 -16.695 406 HH22 ARG 56 HH22 ARG 56 -15.240 16.507 -16.569 407 H LEU 57 HN LEU 57 -20.209 22.986 -11.908 408 HA LEU 57 HA LEU 57 -19.644 21.960 -9.211 409 HB2 LEU 57 HB1 LEU 57 -18.652 24.258 -10.798 410 HB3 LEU 57 HB2 LEU 57 -18.804 24.487 -9.058 411 HG LEU 57 HG LEU 57 -16.530 23.851 -9.726 412 HD11 LEU 57 HD11 LEU 57 -17.834 21.612 -8.196 413 HD12 LEU 57 HD12 LEU 57 -17.534 23.211 -7.515 414 HD13 LEU 57 HD13 LEU 57 -16.182 22.211 -8.047 415 HD21 LEU 57 HD21 LEU 57 -16.888 22.524 -11.657 416 HD22 LEU 57 HD22 LEU 57 -17.914 21.393 -10.775 417 HD23 LEU 57 HD23 LEU 57 -16.184 21.460 -10.440 418 H LYS 58 HN LYS 58 -22.278 22.729 -10.616 419 HA LYS 58 HA LYS 58 -24.296 23.535 -9.939 420 HB2 LYS 58 HB1 LYS 58 -23.060 24.271 -7.295 421 HB3 LYS 58 HB2 LYS 58 -24.731 23.840 -7.636 422 HG2 LYS 58 HG1 LYS 58 -23.518 21.572 -8.396 423 HG3 LYS 58 HG2 LYS 58 -22.387 22.120 -7.157 424 HD2 LYS 58 HD1 LYS 58 -24.194 22.265 -5.539 425 HD3 LYS 58 HD2 LYS 58 -25.364 21.801 -6.776 426 HE2 LYS 58 HE1 LYS 58 -25.041 19.738 -5.924 427 HE3 LYS 58 HE2 LYS 58 -23.626 19.753 -6.975 428 HZ1 LYS 58 HZ1 LYS 58 -23.528 19.239 -4.364 429 HZ2 LYS 58 HZ2 LYS 58 -23.238 20.905 -4.343 430 HZ3 LYS 58 HZ3 LYS 58 -22.230 19.883 -5.238 431 H ILE 59 HN ILE 59 -22.122 25.244 -11.067 432 HA ILE 59 HA ILE 59 -22.990 27.866 -10.053 433 HB ILE 59 HB ILE 59 -20.583 27.250 -11.769 434 HG12 ILE 59 HG11 ILE 59 -20.753 27.825 -8.802 435 HG13 ILE 59 HG12 ILE 59 -20.378 26.264 -9.523 436 HG21 ILE 59 HG21 ILE 59 -20.274 29.445 -11.972 437 HG22 ILE 59 HG22 ILE 59 -21.914 29.645 -11.360 438 HG23 ILE 59 HG23 ILE 59 -20.545 29.714 -10.251 439 HD11 ILE 59 HD11 ILE 59 -18.680 28.620 -9.125 440 HD12 ILE 59 HD12 ILE 59 -18.262 26.907 -9.184 441 HD13 ILE 59 HD13 ILE 59 -18.495 27.811 -10.680 442 H SER 60 HN SER 60 -24.371 28.987 -11.244 443 HA SER 60 HA SER 60 -24.745 28.240 -14.057 444 HB2 SER 60 HB1 SER 60 -26.541 28.939 -11.933 445 HB3 SER 60 HB2 SER 60 -26.723 30.104 -13.244 446 HG SER 60 HG SER 60 -28.069 28.330 -13.600 447 H SER 61 HN SER 61 -23.732 30.831 -11.993 448 HA SER 61 HA SER 61 -23.944 32.894 -13.977 449 HB2 SER 61 HB1 SER 61 -22.220 33.934 -12.169 450 HB3 SER 61 HB2 SER 61 -23.970 33.933 -11.952 451 HG SER 61 HG SER 61 -23.087 33.076 -10.113 452 HA PRO 62 HA PRO 62 -20.172 32.328 -16.151 453 HB2 PRO 62 HB1 PRO 62 -19.535 34.897 -16.751 454 HB3 PRO 62 HB2 PRO 62 -20.860 34.029 -17.534 455 HG2 PRO 62 HG1 PRO 62 -20.956 35.998 -15.282 456 HG3 PRO 62 HG2 PRO 62 -22.017 35.863 -16.696 457 HD2 PRO 62 HD1 PRO 62 -22.715 34.922 -14.254 458 HD3 PRO 62 HD2 PRO 62 -23.252 34.155 -15.763 459 H VAL 63 HN VAL 63 -18.263 31.786 -15.323 460 HA VAL 63 HA VAL 63 -16.844 33.713 -13.625 461 HB VAL 63 HB VAL 63 -16.099 31.904 -12.124 462 HG11 VAL 63 HG11 VAL 63 -18.942 31.533 -11.757 463 HG12 VAL 63 HG12 VAL 63 -17.785 32.423 -10.765 464 HG13 VAL 63 HG13 VAL 63 -18.554 33.209 -12.144 465 HG21 VAL 63 HG21 VAL 63 -16.431 30.052 -13.737 466 HG22 VAL 63 HG22 VAL 63 -17.147 29.732 -12.157 467 HG23 VAL 63 HG23 VAL 63 -18.173 30.208 -13.510 468 H ARG 64 HN ARG 64 -14.531 32.668 -13.159 469 HA ARG 64 HA ARG 64 -13.277 32.479 -15.716 470 HB2 ARG 64 HB1 ARG 64 -11.920 31.861 -13.105 471 HB3 ARG 64 HB2 ARG 64 -11.230 32.564 -14.562 472 HG2 ARG 64 HG1 ARG 64 -12.298 34.646 -14.167 473 HG3 ARG 64 HG2 ARG 64 -13.287 33.962 -12.875 474 HD2 ARG 64 HD1 ARG 64 -11.641 34.142 -11.353 475 HD3 ARG 64 HD2 ARG 64 -10.395 33.649 -12.500 476 HE ARG 64 HE ARG 64 -10.986 36.131 -13.336 477 HH11 ARG 64 HH11 ARG 64 -10.255 34.837 -10.187 478 HH12 ARG 64 HH12 ARG 64 -9.536 36.303 -9.608 479 HH21 ARG 64 HH21 ARG 64 -10.042 38.067 -12.585 480 HH22 ARG 64 HH22 ARG 64 -9.417 38.140 -10.972 481 H VAL 65 HN VAL 65 -12.430 30.743 -16.759 482 HA VAL 65 HA VAL 65 -12.304 28.154 -15.448 483 HB VAL 65 HB VAL 65 -13.621 27.024 -17.204 484 HG11 VAL 65 HG11 VAL 65 -15.391 29.104 -15.976 485 HG12 VAL 65 HG12 VAL 65 -15.686 27.379 -16.203 486 HG13 VAL 65 HG13 VAL 65 -14.552 27.926 -14.967 487 HG21 VAL 65 HG21 VAL 65 -14.404 29.817 -18.033 488 HG22 VAL 65 HG22 VAL 65 -13.373 28.724 -18.955 489 HG23 VAL 65 HG23 VAL 65 -15.066 28.316 -18.680 490 H CYS 66 HN CYS 66 -10.724 26.884 -16.260 491 HA CYS 66 HA CYS 66 -8.895 28.013 -18.136 492 HB2 CYS 66 HB1 CYS 66 -7.681 25.841 -17.858 493 HB3 CYS 66 HB2 CYS 66 -8.023 26.669 -16.342 494 H GLN 67 HN GLN 67 -8.272 27.177 -20.170 495 HA GLN 67 HA GLN 67 -10.308 26.595 -21.940 496 HB2 GLN 67 HB1 GLN 67 -8.285 27.388 -22.851 497 HB3 GLN 67 HB2 GLN 67 -7.341 26.122 -22.078 498 HG2 GLN 67 HG1 GLN 67 -8.315 24.462 -23.558 499 HG3 GLN 67 HG2 GLN 67 -9.315 25.704 -24.311 500 HE21 GLN 67 HE21 GLN 67 -5.573 25.052 -25.561 501 HE22 GLN 67 HE22 GLN 67 -6.380 24.071 -24.390 502 H ASN 68 HN ASN 68 -8.469 24.438 -19.918 503 HA ASN 68 HA ASN 68 -9.135 22.027 -21.269 504 HB2 ASN 68 HB1 ASN 68 -7.486 22.753 -19.130 505 HB3 ASN 68 HB2 ASN 68 -8.689 21.677 -18.423 506 HD21 ASN 68 HD21 ASN 68 -7.750 18.970 -20.677 507 HD22 ASN 68 HD22 ASN 68 -9.180 19.832 -20.232 508 H CYS 69 HN CYS 69 -10.665 23.928 -18.754 509 HA CYS 69 HA CYS 69 -12.684 21.903 -18.255 510 HB2 CYS 69 HB1 CYS 69 -12.026 24.579 -17.084 511 HB3 CYS 69 HB2 CYS 69 -13.628 23.896 -16.827 512 H TYR 70 HN TYR 70 -12.569 25.221 -19.533 513 HA TYR 70 HA TYR 70 -15.226 25.587 -20.146 514 HB2 TYR 70 HB1 TYR 70 -13.528 27.341 -20.392 515 HB3 TYR 70 HB2 TYR 70 -12.839 26.493 -21.771 516 HD1 TYR 70 HD1 TYR 70 -15.543 28.637 -20.605 517 HD2 TYR 70 HD2 TYR 70 -14.046 26.416 -23.911 518 HE1 TYR 70 HE1 TYR 70 -17.069 29.851 -22.104 519 HE2 TYR 70 HE2 TYR 70 -15.567 27.625 -25.419 520 HH TYR 70 HH TYR 70 -16.971 30.399 -24.780 521 H TYR 71 HN TYR 71 -12.795 23.773 -21.925 522 HA TYR 71 HA TYR 71 -14.232 23.366 -24.299 523 HB2 TYR 71 HB1 TYR 71 -11.799 22.404 -23.116 524 HB3 TYR 71 HB2 TYR 71 -12.683 21.050 -23.809 525 HD1 TYR 71 HD1 TYR 71 -13.644 21.524 -26.246 526 HD2 TYR 71 HD2 TYR 71 -10.350 23.563 -24.487 527 HE1 TYR 71 HE1 TYR 71 -12.834 22.137 -28.486 528 HE2 TYR 71 HE2 TYR 71 -9.532 24.182 -26.722 529 HH TYR 71 HH TYR 71 -9.742 23.335 -29.058 530 H ASN 72 HN ASN 72 -14.159 21.545 -21.270 531 HA ASN 72 HA ASN 72 -15.984 19.539 -22.256 532 HB2 ASN 72 HB1 ASN 72 -14.437 20.005 -19.778 533 HB3 ASN 72 HB2 ASN 72 -15.957 19.139 -19.576 534 HD21 ASN 72 HD21 ASN 72 -14.853 16.185 -21.037 535 HD22 ASN 72 HD22 ASN 72 -16.184 17.098 -20.420 536 H LEU 73 HN LEU 73 -16.195 22.582 -20.659 537 HA LEU 73 HA LEU 73 -18.692 22.261 -19.378 538 HB2 LEU 73 HB1 LEU 73 -17.180 24.662 -20.361 539 HB3 LEU 73 HB2 LEU 73 -18.757 24.805 -19.587 540 HG LEU 73 HG LEU 73 -16.259 23.676 -18.325 541 HD11 LEU 73 HD11 LEU 73 -15.756 25.790 -17.882 542 HD12 LEU 73 HD12 LEU 73 -17.219 25.880 -16.903 543 HD13 LEU 73 HD13 LEU 73 -17.264 26.356 -18.600 544 HD21 LEU 73 HD21 LEU 73 -19.049 24.069 -17.256 545 HD22 LEU 73 HD22 LEU 73 -17.637 23.746 -16.249 546 HD23 LEU 73 HD23 LEU 73 -18.171 22.549 -17.430 547 H GLN 74 HN GLN 74 -17.773 23.120 -22.649 548 HA GLN 74 HA GLN 74 -20.487 23.796 -23.402 549 HB2 GLN 74 HB1 GLN 74 -18.129 23.408 -25.242 550 HB3 GLN 74 HB2 GLN 74 -19.601 24.318 -25.556 551 HG2 GLN 74 HG1 GLN 74 -18.469 25.447 -23.255 552 HG3 GLN 74 HG2 GLN 74 -17.140 25.189 -24.384 553 HE21 GLN 74 HE21 GLN 74 -18.587 27.344 -26.885 554 HE22 GLN 74 HE22 GLN 74 -17.854 25.787 -26.737 555 H HIS 75 HN HIS 75 -18.408 21.036 -23.426 556 HA HIS 75 HA HIS 75 -19.979 19.580 -25.372 557 HB2 HIS 75 HB1 HIS 75 -17.379 19.340 -24.273 558 HB3 HIS 75 HB2 HIS 75 -18.251 17.870 -23.851 559 HD1 HIS 75 HD1 HIS 75 -16.414 19.427 -26.561 560 HD2 HIS 75 HD2 HIS 75 -19.382 16.539 -26.221 561 HE1 HIS 75 HE1 HIS 75 -16.406 18.193 -28.752 562 H GLU 76 HN GLU 76 -19.792 19.922 -21.918 563 HA GLU 76 HA GLU 76 -21.294 17.556 -21.313 564 HB2 GLU 76 HB1 GLU 76 -21.210 18.256 -19.050 565 HB3 GLU 76 HB2 GLU 76 -19.665 18.709 -19.756 566 HG2 GLU 76 HG1 GLU 76 -20.030 20.703 -18.843 567 HG3 GLU 76 HG2 GLU 76 -21.163 20.955 -20.168 568 H ARG 77 HN ARG 77 -22.041 20.817 -22.168 569 HA ARG 77 HA ARG 77 -24.820 20.529 -21.298 570 HB2 ARG 77 HB1 ARG 77 -23.183 22.863 -22.266 571 HB3 ARG 77 HB2 ARG 77 -24.937 22.950 -22.162 572 HG2 ARG 77 HG1 ARG 77 -24.733 22.325 -19.745 573 HG3 ARG 77 HG2 ARG 77 -22.987 22.515 -19.916 574 HD2 ARG 77 HD1 ARG 77 -25.013 24.663 -20.525 575 HD3 ARG 77 HD2 ARG 77 -24.130 24.524 -19.005 576 HE ARG 77 HE ARG 77 -22.303 24.573 -21.142 577 HH11 ARG 77 HH11 ARG 77 -24.528 26.651 -19.453 578 HH12 ARG 77 HH12 ARG 77 -23.637 28.098 -19.791 579 HH21 ARG 77 HH21 ARG 77 -21.121 26.471 -21.594 580 HH22 ARG 77 HH22 ARG 77 -21.700 27.994 -21.010 581 H GLY 78 HN GLY 78 -24.619 18.737 -23.127 582 HA2 GLY 78 HA2 GLY 78 -24.765 19.582 -25.831 583 HA3 GLY 78 HA1 GLY 78 -25.275 18.019 -25.209 Start of MODEL 8 1 H1 SER 1 HN SER 1 25.648 10.438 -3.255 2 HA SER 1 HA SER 1 26.054 10.456 -5.713 3 HB2 SER 1 HB1 SER 1 27.631 9.060 -3.728 4 HB3 SER 1 HB2 SER 1 27.827 8.318 -5.316 5 HG SER 1 HG SER 1 29.289 9.925 -5.307 6 H ASN 2 HN ASN 2 24.927 7.464 -4.271 7 HA ASN 2 HA ASN 2 24.837 6.092 -6.821 8 HB2 ASN 2 HB1 ASN 2 23.891 5.268 -4.067 9 HB3 ASN 2 HB2 ASN 2 23.845 4.232 -5.491 10 HD21 ASN 2 HD21 ASN 2 27.305 3.600 -5.539 11 HD22 ASN 2 HD22 ASN 2 25.869 3.683 -6.497 12 H ALA 3 HN ALA 3 22.697 4.872 -7.279 13 HA ALA 3 HA ALA 3 20.567 5.034 -8.072 14 HB1 ALA 3 HB1 ALA 3 19.538 6.736 -5.940 15 HB2 ALA 3 HB2 ALA 3 19.074 5.100 -6.411 16 HB3 ALA 3 HB3 ALA 3 20.459 5.353 -5.349 17 H GLY 4 HN GLY 4 18.636 6.853 -8.204 18 HA2 GLY 4 HA2 GLY 4 19.919 9.033 -9.681 19 HA3 GLY 4 HA1 GLY 4 18.241 8.531 -9.826 20 H ARG 5 HN ARG 5 18.393 11.089 -9.705 21 HA ARG 5 HA ARG 5 17.094 11.825 -7.310 22 HB2 ARG 5 HB1 ARG 5 19.898 11.890 -7.131 23 HB3 ARG 5 HB2 ARG 5 19.395 13.564 -7.319 24 HG2 ARG 5 HG1 ARG 5 17.652 12.400 -5.439 25 HG3 ARG 5 HG2 ARG 5 19.289 11.904 -5.006 26 HD2 ARG 5 HD1 ARG 5 18.541 14.755 -5.614 27 HD3 ARG 5 HD2 ARG 5 18.474 14.071 -3.990 28 HE ARG 5 HE ARG 5 20.993 13.506 -4.788 29 HH11 ARG 5 HH11 ARG 5 19.109 16.433 -4.723 30 HH12 ARG 5 HH12 ARG 5 20.481 17.465 -4.491 31 HH21 ARG 5 HH21 ARG 5 22.807 14.855 -4.483 32 HH22 ARG 5 HH22 ARG 5 22.584 16.567 -4.355 33 H SER 6 HN SER 6 17.334 14.491 -7.215 34 HA SER 6 HA SER 6 16.620 16.413 -8.201 35 HB2 SER 6 HB1 SER 6 18.830 15.672 -9.586 36 HB3 SER 6 HB2 SER 6 17.640 15.709 -10.887 37 HG SER 6 HG SER 6 17.965 17.780 -10.858 38 H ALA 7 HN ALA 7 15.511 17.201 -10.430 39 HA ALA 7 HA ALA 7 13.514 15.177 -11.187 40 HB1 ALA 7 HB1 ALA 7 12.878 18.055 -10.554 41 HB2 ALA 7 HB2 ALA 7 11.734 16.794 -11.016 42 HB3 ALA 7 HB3 ALA 7 12.581 16.694 -9.472 43 H ALA 8 HN ALA 8 12.213 15.937 -13.136 44 HA ALA 8 HA ALA 8 14.090 17.079 -15.086 45 HB1 ALA 8 HB1 ALA 8 13.162 14.773 -15.449 46 HB2 ALA 8 HB2 ALA 8 11.583 15.523 -15.685 47 HB3 ALA 8 HB3 ALA 8 12.913 15.902 -16.781 48 H ASP 9 HN ASP 9 11.197 17.735 -13.409 49 HA ASP 9 HA ASP 9 10.830 20.172 -14.983 50 HB2 ASP 9 HB1 ASP 9 9.228 18.510 -15.879 51 HB3 ASP 9 HB2 ASP 9 8.548 18.319 -14.266 52 H HIS 10 HN HIS 10 11.701 21.304 -13.231 53 HA HIS 10 HA HIS 10 9.797 21.916 -11.152 54 HB2 HIS 10 HB1 HIS 10 11.261 19.899 -10.402 55 HB3 HIS 10 HB2 HIS 10 12.528 21.105 -10.203 56 HD1 HIS 10 HD1 HIS 10 12.626 20.986 -7.669 57 HD2 HIS 10 HD2 HIS 10 8.827 21.831 -9.124 58 HE1 HIS 10 HE1 HIS 10 11.268 21.649 -5.658 59 H TRP 11 HN TRP 11 9.808 23.994 -11.984 60 HA TRP 11 HA TRP 11 12.297 25.503 -11.527 61 HB2 TRP 11 HB1 TRP 11 11.280 25.105 -13.991 62 HB3 TRP 11 HB2 TRP 11 10.380 26.548 -13.533 63 HD1 TRP 11 HD1 TRP 11 12.163 28.580 -12.476 64 HE1 TRP 11 HE1 TRP 11 14.343 29.385 -13.584 65 HE3 TRP 11 HE3 TRP 11 13.083 24.548 -15.482 66 HZ2 TRP 11 HZ2 TRP 11 16.205 28.436 -15.481 67 HZ3 TRP 11 HZ3 TRP 11 15.084 24.577 -16.914 68 HH2 TRP 11 HH2 TRP 11 16.611 26.481 -16.912 69 H VAL 12 HN VAL 12 9.987 25.011 -9.769 70 HA VAL 12 HA VAL 12 9.681 27.609 -8.727 71 HB VAL 12 HB VAL 12 8.145 27.711 -10.758 72 HG11 VAL 12 HG11 VAL 12 6.398 25.975 -9.018 73 HG12 VAL 12 HG12 VAL 12 5.975 26.672 -10.584 74 HG13 VAL 12 HG13 VAL 12 7.224 25.431 -10.477 75 HG21 VAL 12 HG21 VAL 12 6.394 28.220 -8.462 76 HG22 VAL 12 HG22 VAL 12 8.013 28.906 -8.317 77 HG23 VAL 12 HG23 VAL 12 6.998 29.325 -9.697 78 H LYS 13 HN LYS 13 8.264 27.666 -6.833 79 HA LYS 13 HA LYS 13 7.303 25.106 -5.844 80 HB2 LYS 13 HB1 LYS 13 9.768 25.368 -5.226 81 HB3 LYS 13 HB2 LYS 13 9.257 26.682 -4.175 82 HG2 LYS 13 HG1 LYS 13 7.569 24.777 -3.343 83 HG3 LYS 13 HG2 LYS 13 8.916 23.767 -3.875 84 HD2 LYS 13 HD1 LYS 13 10.389 24.707 -2.338 85 HD3 LYS 13 HD2 LYS 13 9.395 26.150 -2.123 86 HE2 LYS 13 HE1 LYS 13 7.669 24.711 -1.043 87 HE3 LYS 13 HE2 LYS 13 8.802 23.364 -1.134 88 HZ1 LYS 13 HZ1 LYS 13 9.364 24.089 0.903 89 HZ2 LYS 13 HZ2 LYS 13 8.793 25.659 0.642 90 HZ3 LYS 13 HZ3 LYS 13 10.312 25.203 0.054 91 H ASP 14 HN ASP 14 6.135 27.685 -6.593 92 HA ASP 14 HA ASP 14 4.401 28.000 -4.348 93 HB2 ASP 14 HB1 ASP 14 6.693 29.586 -4.281 94 HB3 ASP 14 HB2 ASP 14 5.437 30.657 -4.897 95 H GLU 15 HN GLU 15 4.358 27.437 -7.240 96 HA GLU 15 HA GLU 15 3.308 29.646 -8.655 97 HB2 GLU 15 HB1 GLU 15 2.407 27.876 -10.211 98 HB3 GLU 15 HB2 GLU 15 4.139 27.813 -9.921 99 HG2 GLU 15 HG1 GLU 15 3.991 25.728 -9.209 100 HG3 GLU 15 HG2 GLU 15 2.797 26.185 -7.995 101 H GLY 16 HN GLY 16 1.987 27.692 -6.210 102 HA2 GLY 16 HA2 GLY 16 -0.777 28.186 -7.028 103 HA3 GLY 16 HA1 GLY 16 -0.256 27.186 -5.680 104 H GLY 17 HN GLY 17 -0.437 30.563 -6.767 105 HA2 GLY 17 HA2 GLY 17 -1.682 31.487 -4.433 106 HA3 GLY 17 HA1 GLY 17 0.049 31.737 -4.254 107 H ASP 18 HN ASP 18 0.860 32.487 -6.718 108 HA ASP 18 HA ASP 18 -0.869 34.565 -7.748 109 HB2 ASP 18 HB1 ASP 18 1.802 35.324 -6.549 110 HB3 ASP 18 HB2 ASP 18 0.636 36.407 -7.303 111 H SER 19 HN SER 19 -0.001 32.342 -9.045 112 HA SER 19 HA SER 19 1.446 33.480 -11.248 113 HB2 SER 19 HB1 SER 19 2.716 31.090 -9.907 114 HB3 SER 19 HB2 SER 19 3.359 32.052 -11.238 115 HG SER 19 HG SER 19 3.690 32.421 -8.625 116 H CYS 20 HN CYS 20 0.931 32.492 -13.130 117 HA CYS 20 HA CYS 20 -1.263 30.850 -13.355 118 HB2 CYS 20 HB1 CYS 20 -0.237 32.147 -15.215 119 HB3 CYS 20 HB2 CYS 20 1.057 30.955 -15.293 120 H SER 21 HN SER 21 -1.529 28.632 -13.920 121 HA SER 21 HA SER 21 0.474 26.915 -12.648 122 HB2 SER 21 HB1 SER 21 -2.265 26.989 -12.387 123 HB3 SER 21 HB2 SER 21 -2.029 25.650 -13.510 124 HG SER 21 HG SER 21 -1.125 25.940 -10.864 125 H GLY 22 HN GLY 22 -1.104 27.530 -15.701 126 HA2 GLY 22 HA2 GLY 22 0.152 25.182 -16.918 127 HA3 GLY 22 HA1 GLY 22 -1.040 26.228 -17.676 128 H CYS 23 HN CYS 23 1.067 28.275 -16.256 129 HA CYS 23 HA CYS 23 2.985 28.257 -18.476 130 HB2 CYS 23 HB1 CYS 23 1.316 30.617 -17.595 131 HB3 CYS 23 HB2 CYS 23 2.738 30.759 -18.622 132 H SER 24 HN SER 24 2.139 29.164 -15.220 133 HA SER 24 HA SER 24 3.453 29.464 -13.374 134 HB2 SER 24 HB1 SER 24 5.998 29.314 -14.926 135 HB3 SER 24 HB2 SER 24 5.609 28.654 -13.337 136 HG SER 24 HG SER 24 5.811 27.147 -15.217 137 H VAL 25 HN VAL 25 3.083 31.442 -15.860 138 HA VAL 25 HA VAL 25 5.065 33.438 -15.457 139 HB VAL 25 HB VAL 25 3.920 33.424 -17.550 140 HG11 VAL 25 HG11 VAL 25 1.841 32.569 -17.462 141 HG12 VAL 25 HG12 VAL 25 1.530 33.220 -15.852 142 HG13 VAL 25 HG13 VAL 25 1.357 34.253 -17.271 143 HG21 VAL 25 HG21 VAL 25 3.878 35.727 -15.819 144 HG22 VAL 25 HG22 VAL 25 4.244 35.626 -17.542 145 HG23 VAL 25 HG23 VAL 25 2.574 35.809 -17.004 146 H ARG 26 HN ARG 26 5.246 34.863 -13.865 147 HA ARG 26 HA ARG 26 3.455 34.984 -11.699 148 HB2 ARG 26 HB1 ARG 26 5.417 37.160 -12.395 149 HB3 ARG 26 HB2 ARG 26 4.861 36.663 -10.802 150 HG2 ARG 26 HG1 ARG 26 6.703 35.159 -12.644 151 HG3 ARG 26 HG2 ARG 26 7.098 35.895 -11.089 152 HD2 ARG 26 HD1 ARG 26 4.966 34.190 -10.550 153 HD3 ARG 26 HD2 ARG 26 5.984 33.291 -11.674 154 HE ARG 26 HE ARG 26 7.553 34.459 -9.628 155 HH11 ARG 26 HH11 ARG 26 5.318 31.858 -10.229 156 HH12 ARG 26 HH12 ARG 26 5.965 30.840 -8.985 157 HH21 ARG 26 HH21 ARG 26 8.413 33.128 -7.987 158 HH22 ARG 26 HH22 ARG 26 7.725 31.564 -7.710 159 H PHE 27 HN PHE 27 1.487 35.829 -11.701 160 HA PHE 27 HA PHE 27 0.368 37.421 -13.665 161 HB2 PHE 27 HB1 PHE 27 -0.401 37.288 -10.741 162 HB3 PHE 27 HB2 PHE 27 -1.417 37.915 -12.034 163 HD1 PHE 27 HD1 PHE 27 -0.798 35.147 -10.043 164 HD2 PHE 27 HD2 PHE 27 -1.691 36.198 -14.070 165 HE1 PHE 27 HE1 PHE 27 -1.687 32.886 -10.432 166 HE2 PHE 27 HE2 PHE 27 -2.582 33.939 -14.465 167 HZ PHE 27 HZ PHE 27 -2.581 32.280 -12.645 168 H SER 28 HN SER 28 0.180 39.574 -14.039 169 HA SER 28 HA SER 28 1.012 41.524 -12.078 170 HB2 SER 28 HB1 SER 28 2.572 41.212 -14.655 171 HB3 SER 28 HB2 SER 28 2.765 42.526 -13.494 172 HG SER 28 HG SER 28 3.164 40.688 -11.949 173 H LEU 29 HN LEU 29 1.262 43.751 -13.555 174 HA LEU 29 HA LEU 29 -1.346 44.447 -14.212 175 HB2 LEU 29 HB1 LEU 29 1.077 45.781 -15.384 176 HB3 LEU 29 HB2 LEU 29 -0.486 46.501 -15.003 177 HG LEU 29 HG LEU 29 0.375 45.630 -12.549 178 HD11 LEU 29 HD11 LEU 29 2.635 46.026 -12.251 179 HD12 LEU 29 HD12 LEU 29 2.782 46.932 -13.757 180 HD13 LEU 29 HD13 LEU 29 2.596 45.178 -13.797 181 HD21 LEU 29 HD21 LEU 29 1.125 48.350 -13.527 182 HD22 LEU 29 HD22 LEU 29 0.397 47.868 -11.995 183 HD23 LEU 29 HD23 LEU 29 -0.573 47.878 -13.468 184 H THR 30 HN THR 30 1.076 42.877 -16.106 185 HA THR 30 HA THR 30 -0.428 43.309 -18.582 186 HB THR 30 HB THR 30 1.461 42.431 -19.769 187 HG1 THR 30 HG1 THR 30 3.313 41.680 -18.518 188 HG21 THR 30 HG21 THR 30 1.718 44.738 -19.118 189 HG22 THR 30 HG22 THR 30 3.283 43.936 -18.985 190 HG23 THR 30 HG23 THR 30 2.334 44.265 -17.536 191 H GLU 31 HN GLU 31 0.186 40.934 -16.164 192 HA GLU 31 HA GLU 31 -1.168 38.900 -17.813 193 HB2 GLU 31 HB1 GLU 31 1.217 38.414 -17.113 194 HB3 GLU 31 HB2 GLU 31 0.634 38.349 -15.456 195 HG2 GLU 31 HG1 GLU 31 -1.088 36.652 -16.673 196 HG3 GLU 31 HG2 GLU 31 0.370 36.402 -17.631 197 H ARG 32 HN ARG 32 -3.240 38.810 -17.246 198 HA ARG 32 HA ARG 32 -4.175 39.569 -14.650 199 HB2 ARG 32 HB1 ARG 32 -5.454 38.493 -17.136 200 HB3 ARG 32 HB2 ARG 32 -6.364 38.518 -15.631 201 HG2 ARG 32 HG1 ARG 32 -5.834 40.974 -15.483 202 HG3 ARG 32 HG2 ARG 32 -5.218 40.854 -17.132 203 HD2 ARG 32 HD1 ARG 32 -7.698 39.605 -17.220 204 HD3 ARG 32 HD2 ARG 32 -7.948 41.007 -16.180 205 HE ARG 32 HE ARG 32 -7.540 41.023 -18.998 206 HH11 ARG 32 HH11 ARG 32 -6.948 42.828 -16.081 207 HH12 ARG 32 HH12 ARG 32 -6.874 44.359 -16.889 208 HH21 ARG 32 HH21 ARG 32 -7.445 43.032 -20.073 209 HH22 ARG 32 HH22 ARG 32 -7.157 44.474 -19.159 210 H ARG 33 HN ARG 33 -5.385 38.200 -13.198 211 HA ARG 33 HA ARG 33 -4.561 35.374 -13.313 212 HB2 ARG 33 HB1 ARG 33 -4.172 35.349 -10.972 213 HB3 ARG 33 HB2 ARG 33 -3.354 36.778 -11.589 214 HG2 ARG 33 HG1 ARG 33 -4.735 38.209 -10.507 215 HG3 ARG 33 HG2 ARG 33 -6.129 37.134 -10.632 216 HD2 ARG 33 HD1 ARG 33 -5.298 35.753 -8.856 217 HD3 ARG 33 HD2 ARG 33 -3.775 36.641 -8.817 218 HE ARG 33 HE ARG 33 -6.220 37.373 -7.540 219 HH11 ARG 33 HH11 ARG 33 -3.336 38.642 -9.021 220 HH12 ARG 33 HH12 ARG 33 -3.373 40.125 -8.127 221 HH21 ARG 33 HH21 ARG 33 -6.279 39.321 -6.356 222 HH22 ARG 33 HH22 ARG 33 -5.046 40.510 -6.610 223 H HIS 34 HN HIS 34 -6.002 33.846 -12.393 224 HA HIS 34 HA HIS 34 -8.548 34.603 -11.353 225 HB2 HIS 34 HB1 HIS 34 -9.721 33.354 -13.359 226 HB3 HIS 34 HB2 HIS 34 -9.363 35.075 -13.457 227 HD1 HIS 34 HD1 HIS 34 -8.464 31.789 -14.935 228 HD2 HIS 34 HD2 HIS 34 -7.262 35.755 -15.226 229 HE1 HIS 34 HE1 HIS 34 -7.031 31.907 -16.999 230 H HIS 35 HN HIS 35 -9.064 33.051 -9.970 231 HA HIS 35 HA HIS 35 -7.787 30.456 -10.164 232 HB2 HIS 35 HB1 HIS 35 -8.861 32.087 -8.057 233 HB3 HIS 35 HB2 HIS 35 -9.603 30.490 -7.998 234 HD1 HIS 35 HD1 HIS 35 -7.034 32.117 -6.402 235 HD2 HIS 35 HD2 HIS 35 -7.174 28.519 -8.475 236 HE1 HIS 35 HE1 HIS 35 -5.072 30.783 -5.566 237 H CYS 36 HN CYS 36 -8.681 28.962 -11.422 238 HA CYS 36 HA CYS 36 -11.262 28.956 -12.434 239 HB2 CYS 36 HB1 CYS 36 -9.358 27.592 -13.295 240 HB3 CYS 36 HB2 CYS 36 -9.551 26.517 -11.915 241 H ARG 37 HN ARG 37 -13.177 28.621 -11.536 242 HA ARG 37 HA ARG 37 -13.397 27.703 -8.824 243 HB2 ARG 37 HB1 ARG 37 -15.768 28.043 -10.617 244 HB3 ARG 37 HB2 ARG 37 -15.604 28.408 -8.905 245 HG2 ARG 37 HG1 ARG 37 -14.421 29.973 -11.189 246 HG3 ARG 37 HG2 ARG 37 -15.790 30.447 -10.182 247 HD2 ARG 37 HD1 ARG 37 -13.366 29.770 -8.683 248 HD3 ARG 37 HD2 ARG 37 -13.191 31.163 -9.750 249 HE ARG 37 HE ARG 37 -14.687 32.340 -8.435 250 HH11 ARG 37 HH11 ARG 37 -14.530 29.011 -7.427 251 HH12 ARG 37 HH12 ARG 37 -15.386 29.283 -5.945 252 HH21 ARG 37 HH21 ARG 37 -15.814 32.711 -6.487 253 HH22 ARG 37 HH22 ARG 37 -16.116 31.388 -5.412 254 H ASN 38 HN ASN 38 -12.882 26.043 -11.555 255 HA ASN 38 HA ASN 38 -14.723 23.848 -10.933 256 HB2 ASN 38 HB1 ASN 38 -14.373 24.782 -13.315 257 HB3 ASN 38 HB2 ASN 38 -12.836 23.922 -13.277 258 HD21 ASN 38 HD21 ASN 38 -15.880 21.943 -14.562 259 HD22 ASN 38 HD22 ASN 38 -15.535 23.630 -14.710 260 H CYS 39 HN CYS 39 -11.271 24.518 -11.395 261 HA CYS 39 HA CYS 39 -10.652 21.935 -10.131 262 HB2 CYS 39 HB1 CYS 39 -8.645 23.671 -11.546 263 HB3 CYS 39 HB2 CYS 39 -8.580 21.939 -11.239 264 H GLY 40 HN GLY 40 -10.015 25.400 -9.994 265 HA2 GLY 40 HA2 GLY 40 -9.726 26.551 -7.932 266 HA3 GLY 40 HA1 GLY 40 -9.155 25.055 -7.209 267 H GLN 41 HN GLN 41 -7.971 26.090 -10.311 268 HA GLN 41 HA GLN 41 -5.376 26.693 -9.054 269 HB2 GLN 41 HB1 GLN 41 -5.847 25.729 -11.877 270 HB3 GLN 41 HB2 GLN 41 -4.300 25.898 -11.060 271 HG2 GLN 41 HG1 GLN 41 -5.886 24.206 -9.462 272 HG3 GLN 41 HG2 GLN 41 -6.064 23.662 -11.130 273 HE21 GLN 41 HE21 GLN 41 -2.516 23.027 -11.475 274 HE22 GLN 41 HE22 GLN 41 -3.791 23.843 -12.308 275 H LEU 42 HN LEU 42 -4.064 28.338 -10.036 276 HA LEU 42 HA LEU 42 -5.687 30.514 -11.111 277 HB2 LEU 42 HB1 LEU 42 -3.252 30.294 -9.512 278 HB3 LEU 42 HB2 LEU 42 -3.158 31.519 -10.775 279 HG LEU 42 HG LEU 42 -5.385 31.421 -8.750 280 HD11 LEU 42 HD11 LEU 42 -2.691 32.733 -8.609 281 HD12 LEU 42 HD12 LEU 42 -3.501 31.734 -7.403 282 HD13 LEU 42 HD13 LEU 42 -4.083 33.366 -7.729 283 HD21 LEU 42 HD21 LEU 42 -4.848 32.972 -11.094 284 HD22 LEU 42 HD22 LEU 42 -4.818 34.018 -9.674 285 HD23 LEU 42 HD23 LEU 42 -6.241 33.031 -10.014 286 H PHE 43 HN PHE 43 -5.638 31.082 -13.181 287 HA PHE 43 HA PHE 43 -3.329 30.265 -14.813 288 HB2 PHE 43 HB1 PHE 43 -6.243 30.170 -15.621 289 HB3 PHE 43 HB2 PHE 43 -4.884 29.844 -16.692 290 HD1 PHE 43 HD1 PHE 43 -7.195 28.462 -14.374 291 HD2 PHE 43 HD2 PHE 43 -3.322 27.919 -16.054 292 HE1 PHE 43 HE1 PHE 43 -7.237 26.096 -13.698 293 HE2 PHE 43 HE2 PHE 43 -3.358 25.553 -15.382 294 HZ PHE 43 HZ PHE 43 -5.317 24.638 -14.203 295 H CYS 44 HN CYS 44 -3.151 31.521 -16.864 296 HA CYS 44 HA CYS 44 -3.691 34.341 -16.304 297 HB2 CYS 44 HB1 CYS 44 -2.007 34.817 -18.005 298 HB3 CYS 44 HB2 CYS 44 -1.371 33.685 -16.816 299 H GLN 45 HN GLN 45 -4.357 35.752 -18.085 300 HA GLN 45 HA GLN 45 -6.731 34.930 -19.277 301 HB2 GLN 45 HB1 GLN 45 -6.710 37.010 -20.470 302 HB3 GLN 45 HB2 GLN 45 -6.028 37.296 -18.874 303 HG2 GLN 45 HG1 GLN 45 -3.797 37.305 -19.777 304 HG3 GLN 45 HG2 GLN 45 -4.407 36.872 -21.373 305 HE21 GLN 45 HE21 GLN 45 -3.860 40.632 -20.683 306 HE22 GLN 45 HE22 GLN 45 -2.991 39.278 -20.054 307 H LYS 46 HN LYS 46 -3.491 34.422 -20.268 308 HA LYS 46 HA LYS 46 -4.201 33.882 -23.037 309 HB2 LYS 46 HB1 LYS 46 -1.898 34.789 -21.837 310 HB3 LYS 46 HB2 LYS 46 -1.519 33.100 -22.149 311 HG2 LYS 46 HG1 LYS 46 -2.748 34.593 -24.377 312 HG3 LYS 46 HG2 LYS 46 -1.107 35.061 -23.923 313 HD2 LYS 46 HD1 LYS 46 -0.212 33.096 -24.618 314 HD3 LYS 46 HD2 LYS 46 -1.636 32.160 -24.155 315 HE2 LYS 46 HE1 LYS 46 -1.780 32.028 -26.437 316 HE3 LYS 46 HE2 LYS 46 -2.742 33.476 -26.144 317 HZ1 LYS 46 HZ1 LYS 46 -0.061 33.231 -27.304 318 HZ2 LYS 46 HZ2 LYS 46 -0.438 34.636 -26.442 319 HZ3 LYS 46 HZ3 LYS 46 -1.361 34.199 -27.791 320 H CYS 47 HN CYS 47 -4.042 32.220 -20.088 321 HA CYS 47 HA CYS 47 -3.481 29.624 -21.252 322 HB2 CYS 47 HB1 CYS 47 -3.378 30.754 -18.645 323 HB3 CYS 47 HB2 CYS 47 -4.521 29.416 -18.597 324 H SER 48 HN SER 48 -6.223 31.158 -19.572 325 HA SER 48 HA SER 48 -7.987 29.039 -20.537 326 HB2 SER 48 HB1 SER 48 -8.876 31.339 -18.819 327 HB3 SER 48 HB2 SER 48 -9.521 29.700 -18.899 328 HG SER 48 HG SER 48 -7.222 29.193 -18.109 329 H ARG 49 HN ARG 49 -7.494 32.520 -20.800 330 HA ARG 49 HA ARG 49 -8.609 34.113 -22.042 331 HB2 ARG 49 HB1 ARG 49 -8.526 33.509 -24.504 332 HB3 ARG 49 HB2 ARG 49 -7.002 33.410 -23.632 333 HG2 ARG 49 HG1 ARG 49 -7.338 30.967 -23.414 334 HG3 ARG 49 HG2 ARG 49 -8.787 31.116 -24.411 335 HD2 ARG 49 HD1 ARG 49 -6.854 32.437 -25.874 336 HD3 ARG 49 HD2 ARG 49 -5.982 31.069 -25.183 337 HE ARG 49 HE ARG 49 -7.206 29.647 -26.511 338 HH11 ARG 49 HH11 ARG 49 -8.619 32.828 -26.583 339 HH12 ARG 49 HH12 ARG 49 -9.704 32.459 -27.882 340 HH21 ARG 49 HH21 ARG 49 -8.630 29.149 -28.222 341 HH22 ARG 49 HH22 ARG 49 -9.710 30.365 -28.813 342 H PHE 50 HN PHE 50 -10.396 32.164 -20.754 343 HA PHE 50 HA PHE 50 -12.724 32.618 -22.467 344 HB2 PHE 50 HB1 PHE 50 -11.973 29.961 -21.239 345 HB3 PHE 50 HB2 PHE 50 -13.569 30.321 -21.890 346 HD1 PHE 50 HD1 PHE 50 -11.018 28.401 -22.641 347 HD2 PHE 50 HD2 PHE 50 -12.973 31.788 -24.323 348 HE1 PHE 50 HE1 PHE 50 -10.249 27.730 -24.880 349 HE2 PHE 50 HE2 PHE 50 -12.208 31.121 -26.564 350 HZ PHE 50 HZ PHE 50 -10.845 29.089 -26.845 351 H GLN 51 HN GLN 51 -14.793 32.082 -21.201 352 HA GLN 51 HA GLN 51 -14.656 32.228 -18.344 353 HB2 GLN 51 HB1 GLN 51 -15.079 34.685 -19.959 354 HB3 GLN 51 HB2 GLN 51 -16.108 34.471 -18.548 355 HG2 GLN 51 HG1 GLN 51 -13.649 33.899 -17.530 356 HG3 GLN 51 HG2 GLN 51 -13.269 35.136 -18.726 357 HE21 GLN 51 HE21 GLN 51 -14.231 37.697 -16.643 358 HE22 GLN 51 HE22 GLN 51 -13.252 37.102 -17.937 359 H SER 52 HN SER 52 -16.416 31.294 -17.523 360 HA SER 52 HA SER 52 -19.042 31.654 -18.489 361 HB2 SER 52 HB1 SER 52 -17.539 29.756 -19.954 362 HB3 SER 52 HB2 SER 52 -18.669 28.843 -18.953 363 HG SER 52 HG SER 52 -19.296 30.932 -20.770 364 H GLU 53 HN GLU 53 -20.530 29.846 -17.532 365 HA GLU 53 HA GLU 53 -19.859 29.679 -14.729 366 HB2 GLU 53 HB1 GLU 53 -22.168 28.610 -14.593 367 HB3 GLU 53 HB2 GLU 53 -22.101 30.278 -15.145 368 HG2 GLU 53 HG1 GLU 53 -21.911 28.492 -17.381 369 HG3 GLU 53 HG2 GLU 53 -23.325 28.102 -16.403 370 H ILE 54 HN ILE 54 -20.564 27.536 -13.606 371 HA ILE 54 HA ILE 54 -19.551 25.235 -15.132 372 HB ILE 54 HB ILE 54 -18.791 25.870 -12.279 373 HG12 ILE 54 HG11 ILE 54 -16.817 25.691 -14.512 374 HG13 ILE 54 HG12 ILE 54 -17.762 27.167 -14.349 375 HG21 ILE 54 HG21 ILE 54 -17.309 23.938 -12.472 376 HG22 ILE 54 HG22 ILE 54 -18.994 23.479 -12.711 377 HG23 ILE 54 HG23 ILE 54 -17.917 23.631 -14.099 378 HD11 ILE 54 HD11 ILE 54 -15.874 27.657 -13.139 379 HD12 ILE 54 HD12 ILE 54 -16.969 27.083 -11.880 380 HD13 ILE 54 HD13 ILE 54 -15.717 26.015 -12.515 381 H LYS 55 HN LYS 55 -21.719 24.551 -15.368 382 HA LYS 55 HA LYS 55 -23.513 24.197 -13.221 383 HB2 LYS 55 HB1 LYS 55 -23.547 23.824 -16.011 384 HB3 LYS 55 HB2 LYS 55 -23.947 22.261 -15.313 385 HG2 LYS 55 HG1 LYS 55 -25.957 23.526 -15.751 386 HG3 LYS 55 HG2 LYS 55 -25.740 23.310 -14.012 387 HD2 LYS 55 HD1 LYS 55 -26.446 25.587 -14.525 388 HD3 LYS 55 HD2 LYS 55 -24.815 25.572 -13.848 389 HE2 LYS 55 HE1 LYS 55 -23.870 26.295 -15.771 390 HE3 LYS 55 HE2 LYS 55 -24.995 25.396 -16.787 391 HZ1 LYS 55 HZ1 LYS 55 -25.291 28.072 -15.608 392 HZ2 LYS 55 HZ2 LYS 55 -26.676 27.155 -15.927 393 HZ3 LYS 55 HZ3 LYS 55 -25.618 27.552 -17.185 394 H ARG 56 HN ARG 56 -20.943 22.218 -14.512 395 HA ARG 56 HA ARG 56 -21.650 19.748 -13.397 396 HB2 ARG 56 HB1 ARG 56 -19.409 19.070 -13.804 397 HB3 ARG 56 HB2 ARG 56 -19.827 20.195 -15.089 398 HG2 ARG 56 HG1 ARG 56 -18.206 21.605 -14.516 399 HG3 ARG 56 HG2 ARG 56 -18.627 21.523 -12.805 400 HD2 ARG 56 HD1 ARG 56 -16.944 19.551 -14.344 401 HD3 ARG 56 HD2 ARG 56 -16.372 20.711 -13.146 402 HE ARG 56 HE ARG 56 -18.345 19.007 -12.035 403 HH11 ARG 56 HH11 ARG 56 -15.007 19.081 -13.019 404 HH12 ARG 56 HH12 ARG 56 -14.515 17.851 -11.903 405 HH21 ARG 56 HH21 ARG 56 -17.710 17.386 -10.561 406 HH22 ARG 56 HH22 ARG 56 -16.053 16.887 -10.506 407 H LEU 57 HN LEU 57 -20.614 22.630 -11.907 408 HA LEU 57 HA LEU 57 -20.064 21.178 -9.403 409 HB2 LEU 57 HB1 LEU 57 -18.599 23.254 -10.756 410 HB3 LEU 57 HB2 LEU 57 -19.089 23.792 -9.151 411 HG LEU 57 HG LEU 57 -17.926 21.936 -8.130 412 HD11 LEU 57 HD11 LEU 57 -18.327 20.265 -9.865 413 HD12 LEU 57 HD12 LEU 57 -16.617 20.360 -9.447 414 HD13 LEU 57 HD13 LEU 57 -17.202 21.102 -10.936 415 HD21 LEU 57 HD21 LEU 57 -15.619 22.493 -9.551 416 HD22 LEU 57 HD22 LEU 57 -16.238 23.389 -8.164 417 HD23 LEU 57 HD23 LEU 57 -16.627 23.919 -9.801 418 H LYS 58 HN LYS 58 -22.577 22.356 -10.695 419 HA LYS 58 HA LYS 58 -24.529 23.226 -9.901 420 HB2 LYS 58 HB1 LYS 58 -23.183 23.655 -7.240 421 HB3 LYS 58 HB2 LYS 58 -24.896 23.428 -7.566 422 HG2 LYS 58 HG1 LYS 58 -22.790 21.317 -7.979 423 HG3 LYS 58 HG2 LYS 58 -23.803 21.461 -6.540 424 HD2 LYS 58 HD1 LYS 58 -25.556 21.533 -8.730 425 HD3 LYS 58 HD2 LYS 58 -24.399 20.247 -9.079 426 HE2 LYS 58 HE1 LYS 58 -24.847 19.285 -6.851 427 HE3 LYS 58 HE2 LYS 58 -26.053 20.540 -6.572 428 HZ1 LYS 58 HZ1 LYS 58 -27.225 19.699 -8.575 429 HZ2 LYS 58 HZ2 LYS 58 -27.165 18.586 -7.303 430 HZ3 LYS 58 HZ3 LYS 58 -26.135 18.407 -8.633 431 H ILE 59 HN ILE 59 -22.265 24.843 -10.965 432 HA ILE 59 HA ILE 59 -22.929 27.446 -9.761 433 HB ILE 59 HB ILE 59 -20.567 26.796 -11.525 434 HG12 ILE 59 HG11 ILE 59 -20.714 27.092 -8.517 435 HG13 ILE 59 HG12 ILE 59 -20.413 25.595 -9.393 436 HG21 ILE 59 HG21 ILE 59 -19.740 28.953 -10.954 437 HG22 ILE 59 HG22 ILE 59 -21.407 29.157 -11.491 438 HG23 ILE 59 HG23 ILE 59 -21.023 29.199 -9.770 439 HD11 ILE 59 HD11 ILE 59 -18.629 28.008 -9.236 440 HD12 ILE 59 HD12 ILE 59 -18.338 26.403 -8.564 441 HD13 ILE 59 HD13 ILE 59 -18.348 26.639 -10.311 442 H SER 60 HN SER 60 -24.569 28.333 -10.851 443 HA SER 60 HA SER 60 -24.826 27.949 -13.719 444 HB2 SER 60 HB1 SER 60 -26.975 27.940 -13.021 445 HB3 SER 60 HB2 SER 60 -26.586 28.782 -11.522 446 HG SER 60 HG SER 60 -27.887 29.827 -13.406 447 H SER 61 HN SER 61 -23.675 30.316 -11.495 448 HA SER 61 HA SER 61 -23.873 32.550 -13.294 449 HB2 SER 61 HB1 SER 61 -22.470 32.143 -10.651 450 HB3 SER 61 HB2 SER 61 -22.360 33.649 -11.562 451 HG SER 61 HG SER 61 -24.713 33.662 -11.490 452 HA PRO 62 HA PRO 62 -20.204 31.892 -15.628 453 HB2 PRO 62 HB1 PRO 62 -19.670 34.455 -16.346 454 HB3 PRO 62 HB2 PRO 62 -20.993 33.517 -17.048 455 HG2 PRO 62 HG1 PRO 62 -21.074 35.567 -14.868 456 HG3 PRO 62 HG2 PRO 62 -22.179 35.345 -16.237 457 HD2 PRO 62 HD1 PRO 62 -22.761 34.478 -13.739 458 HD3 PRO 62 HD2 PRO 62 -23.325 33.637 -15.197 459 H VAL 63 HN VAL 63 -18.264 31.425 -14.821 460 HA VAL 63 HA VAL 63 -16.859 33.458 -13.233 461 HB VAL 63 HB VAL 63 -16.013 31.767 -11.697 462 HG11 VAL 63 HG11 VAL 63 -18.743 31.053 -11.250 463 HG12 VAL 63 HG12 VAL 63 -17.746 32.228 -10.389 464 HG13 VAL 63 HG13 VAL 63 -18.662 32.722 -11.814 465 HG21 VAL 63 HG21 VAL 63 -17.705 29.895 -13.334 466 HG22 VAL 63 HG22 VAL 63 -15.975 29.796 -13.006 467 HG23 VAL 63 HG23 VAL 63 -17.136 29.499 -11.712 468 H ARG 64 HN ARG 64 -14.485 32.538 -12.843 469 HA ARG 64 HA ARG 64 -13.324 32.353 -15.446 470 HB2 ARG 64 HB1 ARG 64 -11.173 32.257 -14.224 471 HB3 ARG 64 HB2 ARG 64 -12.188 33.595 -13.705 472 HG2 ARG 64 HG1 ARG 64 -12.732 31.305 -12.082 473 HG3 ARG 64 HG2 ARG 64 -10.994 31.613 -12.119 474 HD2 ARG 64 HD1 ARG 64 -11.533 33.020 -10.425 475 HD3 ARG 64 HD2 ARG 64 -11.852 34.115 -11.770 476 HE ARG 64 HE ARG 64 -14.127 32.545 -10.956 477 HH11 ARG 64 HH11 ARG 64 -12.327 35.484 -10.462 478 HH12 ARG 64 HH12 ARG 64 -13.670 36.347 -9.788 479 HH21 ARG 64 HH21 ARG 64 -15.902 33.671 -10.071 480 HH22 ARG 64 HH22 ARG 64 -15.703 35.315 -9.566 481 H VAL 65 HN VAL 65 -12.758 30.603 -16.567 482 HA VAL 65 HA VAL 65 -12.316 28.067 -15.175 483 HB VAL 65 HB VAL 65 -13.713 26.821 -16.732 484 HG11 VAL 65 HG11 VAL 65 -15.645 27.148 -15.584 485 HG12 VAL 65 HG12 VAL 65 -14.580 28.135 -14.581 486 HG13 VAL 65 HG13 VAL 65 -15.607 28.897 -15.796 487 HG21 VAL 65 HG21 VAL 65 -15.258 28.008 -18.246 488 HG22 VAL 65 HG22 VAL 65 -14.466 29.528 -17.832 489 HG23 VAL 65 HG23 VAL 65 -13.566 28.264 -18.671 490 H CYS 66 HN CYS 66 -10.722 26.859 -16.044 491 HA CYS 66 HA CYS 66 -9.022 28.000 -18.002 492 HB2 CYS 66 HB1 CYS 66 -7.781 25.848 -17.837 493 HB3 CYS 66 HB2 CYS 66 -8.097 26.588 -16.271 494 H GLN 67 HN GLN 67 -8.403 27.060 -20.048 495 HA GLN 67 HA GLN 67 -10.481 26.663 -21.811 496 HB2 GLN 67 HB1 GLN 67 -8.392 27.247 -22.729 497 HB3 GLN 67 HB2 GLN 67 -7.576 25.899 -21.948 498 HG2 GLN 67 HG1 GLN 67 -8.718 24.335 -23.418 499 HG3 GLN 67 HG2 GLN 67 -9.578 25.670 -24.184 500 HE21 GLN 67 HE21 GLN 67 -5.674 24.910 -25.070 501 HE22 GLN 67 HE22 GLN 67 -6.430 24.213 -23.681 502 H ASN 68 HN ASN 68 -8.558 24.230 -20.106 503 HA ASN 68 HA ASN 68 -9.553 21.944 -21.345 504 HB2 ASN 68 HB1 ASN 68 -7.888 22.525 -19.147 505 HB3 ASN 68 HB2 ASN 68 -9.155 21.469 -18.529 506 HD21 ASN 68 HD21 ASN 68 -6.123 19.816 -20.314 507 HD22 ASN 68 HD22 ASN 68 -6.162 21.330 -19.483 508 H CYS 69 HN CYS 69 -10.942 23.967 -18.853 509 HA CYS 69 HA CYS 69 -13.108 22.106 -18.336 510 HB2 CYS 69 HB1 CYS 69 -12.266 24.750 -17.207 511 HB3 CYS 69 HB2 CYS 69 -13.911 24.181 -16.944 512 H TYR 70 HN TYR 70 -12.773 25.411 -19.619 513 HA TYR 70 HA TYR 70 -15.384 25.944 -20.270 514 HB2 TYR 70 HB1 TYR 70 -13.491 27.534 -20.521 515 HB3 TYR 70 HB2 TYR 70 -12.979 26.660 -21.960 516 HD1 TYR 70 HD1 TYR 70 -15.556 28.867 -20.543 517 HD2 TYR 70 HD2 TYR 70 -14.143 26.915 -24.049 518 HE1 TYR 70 HE1 TYR 70 -17.047 30.262 -21.913 519 HE2 TYR 70 HE2 TYR 70 -15.629 28.306 -25.430 520 HH TYR 70 HH TYR 70 -17.470 30.957 -24.051 521 H TYR 71 HN TYR 71 -12.985 24.286 -22.308 522 HA TYR 71 HA TYR 71 -14.514 23.852 -24.561 523 HB2 TYR 71 HB1 TYR 71 -12.098 22.749 -23.419 524 HB3 TYR 71 HB2 TYR 71 -13.034 21.491 -24.218 525 HD1 TYR 71 HD1 TYR 71 -13.876 22.066 -26.628 526 HD2 TYR 71 HD2 TYR 71 -10.668 24.070 -24.678 527 HE1 TYR 71 HE1 TYR 71 -13.023 22.813 -28.811 528 HE2 TYR 71 HE2 TYR 71 -9.807 24.823 -26.856 529 HH TYR 71 HH TYR 71 -11.363 25.065 -29.465 530 H ASN 72 HN ASN 72 -14.529 22.105 -21.511 531 HA ASN 72 HA ASN 72 -16.373 20.101 -22.498 532 HB2 ASN 72 HB1 ASN 72 -15.005 20.609 -19.875 533 HB3 ASN 72 HB2 ASN 72 -16.366 19.495 -19.959 534 HD21 ASN 72 HD21 ASN 72 -13.890 17.085 -20.494 535 HD22 ASN 72 HD22 ASN 72 -14.974 17.801 -19.356 536 H LEU 73 HN LEU 73 -16.494 23.140 -20.861 537 HA LEU 73 HA LEU 73 -19.116 22.798 -19.750 538 HB2 LEU 73 HB1 LEU 73 -17.370 25.211 -20.182 539 HB3 LEU 73 HB2 LEU 73 -18.969 25.298 -19.445 540 HG LEU 73 HG LEU 73 -16.577 23.819 -18.350 541 HD11 LEU 73 HD11 LEU 73 -17.466 25.695 -16.518 542 HD12 LEU 73 HD12 LEU 73 -17.546 26.533 -18.068 543 HD13 LEU 73 HD13 LEU 73 -16.027 25.812 -17.533 544 HD21 LEU 73 HD21 LEU 73 -18.625 22.640 -17.817 545 HD22 LEU 73 HD22 LEU 73 -19.370 24.136 -17.254 546 HD23 LEU 73 HD23 LEU 73 -18.002 23.448 -16.378 547 H GLN 74 HN GLN 74 -17.778 24.046 -22.731 548 HA GLN 74 HA GLN 74 -20.285 25.181 -23.607 549 HB2 GLN 74 HB1 GLN 74 -19.063 25.592 -25.733 550 HB3 GLN 74 HB2 GLN 74 -18.256 26.266 -24.324 551 HG2 GLN 74 HG1 GLN 74 -16.440 25.013 -24.621 552 HG3 GLN 74 HG2 GLN 74 -17.385 23.562 -24.956 553 HE21 GLN 74 HE21 GLN 74 -15.928 23.825 -28.133 554 HE22 GLN 74 HE22 GLN 74 -15.864 23.049 -26.592 555 H HIS 75 HN HIS 75 -18.594 22.171 -23.886 556 HA HIS 75 HA HIS 75 -20.094 21.215 -26.146 557 HB2 HIS 75 HB1 HIS 75 -17.726 20.488 -25.315 558 HB3 HIS 75 HB2 HIS 75 -18.626 19.415 -24.247 559 HD1 HIS 75 HD1 HIS 75 -19.675 20.137 -27.791 560 HD2 HIS 75 HD2 HIS 75 -17.968 17.076 -25.560 561 HE1 HIS 75 HE1 HIS 75 -19.658 18.130 -29.306 562 H GLU 76 HN GLU 76 -20.382 21.105 -22.672 563 HA GLU 76 HA GLU 76 -22.439 19.075 -22.704 564 HB2 GLU 76 HB1 GLU 76 -22.532 19.387 -20.305 565 HB3 GLU 76 HB2 GLU 76 -20.853 19.281 -20.816 566 HG2 GLU 76 HG1 GLU 76 -20.585 21.658 -20.621 567 HG3 GLU 76 HG2 GLU 76 -22.302 21.861 -20.277 568 H ARG 77 HN ARG 77 -22.232 22.549 -22.685 569 HA ARG 77 HA ARG 77 -25.172 22.696 -22.546 570 HB2 ARG 77 HB1 ARG 77 -23.042 24.527 -21.502 571 HB3 ARG 77 HB2 ARG 77 -24.620 25.176 -21.925 572 HG2 ARG 77 HG1 ARG 77 -24.197 22.910 -19.992 573 HG3 ARG 77 HG2 ARG 77 -24.349 24.604 -19.522 574 HD2 ARG 77 HD1 ARG 77 -26.486 23.825 -21.296 575 HD3 ARG 77 HD2 ARG 77 -26.409 22.755 -19.896 576 HE ARG 77 HE ARG 77 -26.218 25.397 -18.998 577 HH11 ARG 77 HH11 ARG 77 -28.526 23.266 -20.500 578 HH12 ARG 77 HH12 ARG 77 -29.903 24.064 -19.815 579 HH21 ARG 77 HH21 ARG 77 -28.024 26.455 -18.091 580 HH22 ARG 77 HH22 ARG 77 -29.617 25.878 -18.446 581 H GLY 78 HN GLY 78 -24.386 22.081 -24.959 582 HA2 GLY 78 HA2 GLY 78 -25.225 24.208 -26.584 583 HA3 GLY 78 HA1 GLY 78 -23.470 24.145 -26.638 Start of MODEL 9 1 H1 SER 1 HN SER 1 -25.638 30.967 4.426 2 HA SER 1 HA SER 1 -23.764 30.032 5.634 3 HB2 SER 1 HB1 SER 1 -25.936 28.388 6.954 4 HB3 SER 1 HB2 SER 1 -24.207 28.137 7.196 5 HG SER 1 HG SER 1 -25.582 29.619 8.668 6 H ASN 2 HN ASN 2 -24.311 29.720 3.098 7 HA ASN 2 HA ASN 2 -23.794 26.893 2.623 8 HB2 ASN 2 HB1 ASN 2 -25.924 28.379 1.072 9 HB3 ASN 2 HB2 ASN 2 -25.448 26.697 0.862 10 HD21 ASN 2 HD21 ASN 2 -27.995 27.807 3.814 11 HD22 ASN 2 HD22 ASN 2 -27.152 28.970 2.854 12 H ALA 3 HN ALA 3 -23.668 26.786 -0.049 13 HA ALA 3 HA ALA 3 -22.570 28.985 -1.393 14 HB1 ALA 3 HB1 ALA 3 -20.483 29.125 -0.659 15 HB2 ALA 3 HB2 ALA 3 -20.772 27.797 0.465 16 HB3 ALA 3 HB3 ALA 3 -20.196 27.460 -1.167 17 H GLY 4 HN GLY 4 -21.720 25.526 -1.065 18 HA2 GLY 4 HA2 GLY 4 -23.050 24.782 -3.463 19 HA3 GLY 4 HA1 GLY 4 -21.331 24.990 -3.758 20 H ARG 5 HN ARG 5 -20.661 22.938 -4.054 21 HA ARG 5 HA ARG 5 -20.952 21.118 -1.768 22 HB2 ARG 5 HB1 ARG 5 -22.048 20.750 -4.407 23 HB3 ARG 5 HB2 ARG 5 -20.854 19.503 -4.073 24 HG2 ARG 5 HG1 ARG 5 -23.206 20.171 -2.315 25 HG3 ARG 5 HG2 ARG 5 -23.125 18.823 -3.451 26 HD2 ARG 5 HD1 ARG 5 -21.416 17.759 -2.209 27 HD3 ARG 5 HD2 ARG 5 -21.128 19.199 -1.234 28 HE ARG 5 HE ARG 5 -22.808 18.528 0.154 29 HH11 ARG 5 HH11 ARG 5 -23.173 16.902 -2.902 30 HH12 ARG 5 HH12 ARG 5 -24.480 15.901 -2.362 31 HH21 ARG 5 HH21 ARG 5 -24.527 17.216 0.878 32 HH22 ARG 5 HH22 ARG 5 -25.250 16.081 -0.212 33 H SER 6 HN SER 6 -19.428 19.127 -2.186 34 HA SER 6 HA SER 6 -17.119 19.386 -3.739 35 HB2 SER 6 HB1 SER 6 -17.118 21.074 -1.425 36 HB3 SER 6 HB2 SER 6 -15.905 19.812 -1.207 37 HG SER 6 HG SER 6 -14.780 20.583 -2.846 38 H ALA 7 HN ALA 7 -15.194 18.132 -2.399 39 HA ALA 7 HA ALA 7 -16.179 15.485 -2.138 40 HB1 ALA 7 HB1 ALA 7 -13.806 16.409 -2.803 41 HB2 ALA 7 HB2 ALA 7 -13.498 16.218 -1.077 42 HB3 ALA 7 HB3 ALA 7 -13.990 14.828 -2.043 43 H ALA 8 HN ALA 8 -16.056 18.067 0.035 44 HA ALA 8 HA ALA 8 -16.569 18.266 2.245 45 HB1 ALA 8 HB1 ALA 8 -17.906 16.598 3.285 46 HB2 ALA 8 HB2 ALA 8 -18.375 16.652 1.585 47 HB3 ALA 8 HB3 ALA 8 -17.334 15.355 2.172 48 H ASP 9 HN ASP 9 -13.916 17.262 1.280 49 HA ASP 9 HA ASP 9 -12.675 16.954 3.785 50 HB2 ASP 9 HB1 ASP 9 -12.158 14.701 3.947 51 HB3 ASP 9 HB2 ASP 9 -13.798 14.635 3.307 52 H HIS 10 HN HIS 10 -10.581 17.509 3.613 53 HA HIS 10 HA HIS 10 -8.893 16.869 1.453 54 HB2 HIS 10 HB1 HIS 10 -10.486 18.597 0.418 55 HB3 HIS 10 HB2 HIS 10 -9.674 19.778 1.442 56 HD1 HIS 10 HD1 HIS 10 -8.772 20.989 -0.678 57 HD2 HIS 10 HD2 HIS 10 -7.451 17.075 -0.236 58 HE1 HIS 10 HE1 HIS 10 -6.860 20.739 -2.292 59 H TRP 11 HN TRP 11 -9.314 19.858 3.351 60 HA TRP 11 HA TRP 11 -8.017 20.851 4.933 61 HB2 TRP 11 HB1 TRP 11 -8.051 18.184 5.633 62 HB3 TRP 11 HB2 TRP 11 -6.328 18.545 5.569 63 HD1 TRP 11 HD1 TRP 11 -6.085 21.317 6.836 64 HE1 TRP 11 HE1 TRP 11 -6.738 21.759 9.287 65 HE3 TRP 11 HE3 TRP 11 -9.229 17.352 7.566 66 HZ2 TRP 11 HZ2 TRP 11 -8.369 20.581 11.267 67 HZ3 TRP 11 HZ3 TRP 11 -10.294 17.081 9.767 68 HH2 TRP 11 HH2 TRP 11 -9.872 18.663 11.578 69 H VAL 12 HN VAL 12 -7.172 20.709 2.147 70 HA VAL 12 HA VAL 12 -4.340 21.340 2.565 71 HB VAL 12 HB VAL 12 -5.108 19.940 0.039 72 HG11 VAL 12 HG11 VAL 12 -2.803 19.386 -0.061 73 HG12 VAL 12 HG12 VAL 12 -2.894 21.084 0.410 74 HG13 VAL 12 HG13 VAL 12 -2.549 19.849 1.621 75 HG21 VAL 12 HG21 VAL 12 -4.767 18.683 2.725 76 HG22 VAL 12 HG22 VAL 12 -5.897 18.280 1.433 77 HG23 VAL 12 HG23 VAL 12 -4.198 17.834 1.288 78 H LYS 13 HN LYS 13 -3.760 23.212 1.662 79 HA LYS 13 HA LYS 13 -5.257 24.245 -0.628 80 HB2 LYS 13 HB1 LYS 13 -5.301 26.517 0.508 81 HB3 LYS 13 HB2 LYS 13 -6.425 25.316 1.130 82 HG2 LYS 13 HG1 LYS 13 -3.801 25.417 2.461 83 HG3 LYS 13 HG2 LYS 13 -4.835 26.831 2.677 84 HD2 LYS 13 HD1 LYS 13 -6.671 25.295 3.376 85 HD3 LYS 13 HD2 LYS 13 -5.516 23.961 3.309 86 HE2 LYS 13 HE1 LYS 13 -5.264 24.467 5.500 87 HE3 LYS 13 HE2 LYS 13 -4.138 25.661 4.855 88 HZ1 LYS 13 HZ1 LYS 13 -6.123 27.211 4.805 89 HZ2 LYS 13 HZ2 LYS 13 -5.498 26.830 6.330 90 HZ3 LYS 13 HZ3 LYS 13 -6.913 26.081 5.786 91 H ASP 14 HN ASP 14 -3.399 23.859 -1.862 92 HA ASP 14 HA ASP 14 -1.375 25.933 -1.610 93 HB2 ASP 14 HB1 ASP 14 -0.753 23.588 -0.469 94 HB3 ASP 14 HB2 ASP 14 -0.286 23.218 -2.127 95 H GLU 15 HN GLU 15 -3.507 25.501 -3.459 96 HA GLU 15 HA GLU 15 -2.719 24.254 -5.838 97 HB2 GLU 15 HB1 GLU 15 -4.387 25.835 -6.911 98 HB3 GLU 15 HB2 GLU 15 -5.004 24.824 -5.611 99 HG2 GLU 15 HG1 GLU 15 -4.000 27.389 -4.677 100 HG3 GLU 15 HG2 GLU 15 -5.319 27.538 -5.837 101 H GLY 16 HN GLY 16 -1.684 27.191 -4.397 102 HA2 GLY 16 HA2 GLY 16 0.518 27.670 -5.875 103 HA3 GLY 16 HA1 GLY 16 -0.747 28.384 -6.863 104 H GLY 17 HN GLY 17 -1.392 30.409 -6.427 105 HA2 GLY 17 HA2 GLY 17 -1.766 31.712 -4.094 106 HA3 GLY 17 HA1 GLY 17 -0.026 31.833 -4.310 107 H ASP 18 HN ASP 18 0.501 32.461 -6.747 108 HA ASP 18 HA ASP 18 -1.348 34.300 -7.943 109 HB2 ASP 18 HB1 ASP 18 0.935 35.294 -6.278 110 HB3 ASP 18 HB2 ASP 18 0.452 36.198 -7.711 111 H SER 19 HN SER 19 -0.325 32.151 -9.113 112 HA SER 19 HA SER 19 1.253 33.270 -11.252 113 HB2 SER 19 HB1 SER 19 2.378 30.844 -9.853 114 HB3 SER 19 HB2 SER 19 3.139 31.834 -11.098 115 HG SER 19 HG SER 19 2.637 32.495 -8.393 116 H CYS 20 HN CYS 20 0.831 32.293 -13.160 117 HA CYS 20 HA CYS 20 -1.375 30.673 -13.501 118 HB2 CYS 20 HB1 CYS 20 -0.236 31.995 -15.290 119 HB3 CYS 20 HB2 CYS 20 1.026 30.768 -15.338 120 H SER 21 HN SER 21 -1.615 28.462 -14.120 121 HA SER 21 HA SER 21 0.320 26.722 -12.773 122 HB2 SER 21 HB1 SER 21 -2.483 26.796 -12.776 123 HB3 SER 21 HB2 SER 21 -2.059 25.368 -13.720 124 HG SER 21 HG SER 21 -1.312 25.993 -11.061 125 H GLY 22 HN GLY 22 -1.092 27.398 -15.890 126 HA2 GLY 22 HA2 GLY 22 0.225 25.062 -17.074 127 HA3 GLY 22 HA1 GLY 22 -0.947 26.101 -17.871 128 H CYS 23 HN CYS 23 1.038 28.188 -16.370 129 HA CYS 23 HA CYS 23 3.058 28.206 -18.501 130 HB2 CYS 23 HB1 CYS 23 1.326 30.537 -17.663 131 HB3 CYS 23 HB2 CYS 23 2.782 30.703 -18.640 132 H SER 24 HN SER 24 2.079 29.025 -15.266 133 HA SER 24 HA SER 24 3.303 29.355 -13.369 134 HB2 SER 24 HB1 SER 24 5.898 29.184 -14.851 135 HB3 SER 24 HB2 SER 24 5.486 28.590 -13.243 136 HG SER 24 HG SER 24 5.274 26.746 -14.228 137 H VAL 25 HN VAL 25 2.925 31.368 -15.763 138 HA VAL 25 HA VAL 25 4.923 33.355 -15.363 139 HB VAL 25 HB VAL 25 3.774 33.407 -17.439 140 HG11 VAL 25 HG11 VAL 25 1.414 33.008 -15.761 141 HG12 VAL 25 HG12 VAL 25 1.174 34.163 -17.073 142 HG13 VAL 25 HG13 VAL 25 1.716 32.523 -17.429 143 HG21 VAL 25 HG21 VAL 25 2.479 35.724 -16.073 144 HG22 VAL 25 HG22 VAL 25 4.238 35.610 -16.115 145 HG23 VAL 25 HG23 VAL 25 3.322 35.660 -17.621 146 H ARG 26 HN ARG 26 5.148 34.655 -13.677 147 HA ARG 26 HA ARG 26 3.296 34.784 -11.553 148 HB2 ARG 26 HB1 ARG 26 5.445 36.828 -12.085 149 HB3 ARG 26 HB2 ARG 26 4.782 36.329 -10.535 150 HG2 ARG 26 HG1 ARG 26 6.541 34.699 -12.354 151 HG3 ARG 26 HG2 ARG 26 6.982 35.408 -10.799 152 HD2 ARG 26 HD1 ARG 26 4.696 33.888 -10.294 153 HD3 ARG 26 HD2 ARG 26 5.678 32.900 -11.376 154 HE ARG 26 HE ARG 26 7.170 32.592 -9.672 155 HH11 ARG 26 HH11 ARG 26 5.124 35.304 -8.907 156 HH12 ARG 26 HH12 ARG 26 5.741 35.481 -7.298 157 HH21 ARG 26 HH21 ARG 26 7.989 32.816 -7.555 158 HH22 ARG 26 HH22 ARG 26 7.371 34.066 -6.530 159 H PHE 27 HN PHE 27 1.353 35.691 -11.717 160 HA PHE 27 HA PHE 27 0.526 37.547 -13.603 161 HB2 PHE 27 HB1 PHE 27 -0.605 37.207 -10.818 162 HB3 PHE 27 HB2 PHE 27 -1.440 37.885 -12.212 163 HD1 PHE 27 HD1 PHE 27 -1.394 36.237 -14.336 164 HD2 PHE 27 HD2 PHE 27 -1.123 35.054 -10.256 165 HE1 PHE 27 HE1 PHE 27 -2.215 33.996 -14.935 166 HE2 PHE 27 HE2 PHE 27 -1.942 32.811 -10.848 167 HZ PHE 27 HZ PHE 27 -2.489 32.279 -13.190 168 H SER 28 HN SER 28 0.528 39.725 -13.757 169 HA SER 28 HA SER 28 1.329 41.340 -11.465 170 HB2 SER 28 HB1 SER 28 3.111 42.468 -12.656 171 HB3 SER 28 HB2 SER 28 3.426 40.734 -12.683 172 HG SER 28 HG SER 28 3.663 41.199 -14.752 173 H LEU 29 HN LEU 29 1.665 43.756 -12.720 174 HA LEU 29 HA LEU 29 -0.956 44.636 -13.094 175 HB2 LEU 29 HB1 LEU 29 1.413 46.051 -14.266 176 HB3 LEU 29 HB2 LEU 29 -0.060 46.742 -13.587 177 HG LEU 29 HG LEU 29 1.004 45.484 -11.416 178 HD11 LEU 29 HD11 LEU 29 3.092 44.876 -12.058 179 HD12 LEU 29 HD12 LEU 29 3.436 46.547 -11.614 180 HD13 LEU 29 HD13 LEU 29 3.193 46.118 -13.307 181 HD21 LEU 29 HD21 LEU 29 1.661 48.297 -12.274 182 HD22 LEU 29 HD22 LEU 29 1.540 47.678 -10.626 183 HD23 LEU 29 HD23 LEU 29 0.096 47.797 -11.633 184 H THR 30 HN THR 30 1.209 43.130 -15.281 185 HA THR 30 HA THR 30 -0.365 43.989 -17.604 186 HB THR 30 HB THR 30 1.420 42.985 -18.975 187 HG1 THR 30 HG1 THR 30 3.310 42.236 -17.899 188 HG21 THR 30 HG21 THR 30 2.401 44.906 -16.859 189 HG22 THR 30 HG22 THR 30 1.614 45.332 -18.379 190 HG23 THR 30 HG23 THR 30 3.211 44.584 -18.392 191 H GLU 31 HN GLU 31 0.227 41.299 -15.537 192 HA GLU 31 HA GLU 31 -1.392 39.592 -17.311 193 HB2 GLU 31 HB1 GLU 31 1.016 38.883 -17.017 194 HB3 GLU 31 HB2 GLU 31 0.649 38.603 -15.320 195 HG2 GLU 31 HG1 GLU 31 0.484 36.507 -16.336 196 HG3 GLU 31 HG2 GLU 31 -1.181 37.044 -16.123 197 H ARG 32 HN ARG 32 -3.384 39.526 -16.499 198 HA ARG 32 HA ARG 32 -3.916 39.865 -13.698 199 HB2 ARG 32 HB1 ARG 32 -5.654 39.285 -16.090 200 HB3 ARG 32 HB2 ARG 32 -6.302 39.328 -14.456 201 HG2 ARG 32 HG1 ARG 32 -5.489 41.647 -14.229 202 HG3 ARG 32 HG2 ARG 32 -4.947 41.590 -15.908 203 HD2 ARG 32 HD1 ARG 32 -7.226 41.214 -16.655 204 HD3 ARG 32 HD2 ARG 32 -7.789 41.176 -14.985 205 HE ARG 32 HE ARG 32 -6.440 43.612 -15.642 206 HH11 ARG 32 HH11 ARG 32 -9.478 41.922 -15.829 207 HH12 ARG 32 HH12 ARG 32 -10.427 43.369 -15.909 208 HH21 ARG 32 HH21 ARG 32 -7.679 45.524 -15.747 209 HH22 ARG 32 HH22 ARG 32 -9.403 45.418 -15.864 210 H ARG 33 HN ARG 33 -5.082 38.336 -12.375 211 HA ARG 33 HA ARG 33 -4.385 35.552 -13.035 212 HB2 ARG 33 HB1 ARG 33 -4.189 35.110 -10.688 213 HB3 ARG 33 HB2 ARG 33 -3.258 36.560 -11.040 214 HG2 ARG 33 HG1 ARG 33 -4.576 37.876 -9.779 215 HG3 ARG 33 HG2 ARG 33 -6.048 37.010 -10.224 216 HD2 ARG 33 HD1 ARG 33 -5.522 35.232 -8.685 217 HD3 ARG 33 HD2 ARG 33 -3.957 35.959 -8.323 218 HE ARG 33 HE ARG 33 -6.471 36.651 -7.174 219 HH11 ARG 33 HH11 ARG 33 -3.381 37.942 -8.125 220 HH12 ARG 33 HH12 ARG 33 -3.425 39.242 -6.981 221 HH21 ARG 33 HH21 ARG 33 -6.541 38.359 -5.664 222 HH22 ARG 33 HH22 ARG 33 -5.223 39.478 -5.581 223 H HIS 34 HN HIS 34 -5.870 33.894 -12.544 224 HA HIS 34 HA HIS 34 -8.527 34.581 -11.629 225 HB2 HIS 34 HB1 HIS 34 -8.048 33.587 -14.444 226 HB3 HIS 34 HB2 HIS 34 -9.624 33.629 -13.661 227 HD1 HIS 34 HD1 HIS 34 -10.680 35.984 -13.256 228 HD2 HIS 34 HD2 HIS 34 -7.130 36.020 -15.414 229 HE1 HIS 34 HE1 HIS 34 -10.538 38.277 -14.279 230 H HIS 35 HN HIS 35 -9.222 32.981 -10.380 231 HA HIS 35 HA HIS 35 -7.899 30.385 -10.537 232 HB2 HIS 35 HB1 HIS 35 -9.947 31.071 -8.463 233 HB3 HIS 35 HB2 HIS 35 -8.531 30.033 -8.330 234 HD1 HIS 35 HD1 HIS 35 -9.418 33.711 -8.539 235 HD2 HIS 35 HD2 HIS 35 -6.327 31.242 -7.269 236 HE1 HIS 35 HE1 HIS 35 -7.783 35.226 -7.375 237 H CYS 36 HN CYS 36 -8.815 28.658 -11.428 238 HA CYS 36 HA CYS 36 -11.383 28.811 -12.646 239 HB2 CYS 36 HB1 CYS 36 -9.453 27.470 -13.521 240 HB3 CYS 36 HB2 CYS 36 -9.698 26.343 -12.191 241 H ARG 37 HN ARG 37 -13.314 28.338 -11.834 242 HA ARG 37 HA ARG 37 -13.543 27.401 -9.119 243 HB2 ARG 37 HB1 ARG 37 -15.920 27.693 -10.902 244 HB3 ARG 37 HB2 ARG 37 -15.739 28.102 -9.201 245 HG2 ARG 37 HG1 ARG 37 -14.622 29.633 -11.540 246 HG3 ARG 37 HG2 ARG 37 -15.980 30.107 -10.517 247 HD2 ARG 37 HD1 ARG 37 -13.592 29.510 -8.978 248 HD3 ARG 37 HD2 ARG 37 -13.322 30.793 -10.157 249 HE ARG 37 HE ARG 37 -15.696 31.396 -8.878 250 HH11 ARG 37 HH11 ARG 37 -12.353 30.976 -8.003 251 HH12 ARG 37 HH12 ARG 37 -12.426 32.086 -6.675 252 HH21 ARG 37 HH21 ARG 37 -15.805 32.861 -7.132 253 HH22 ARG 37 HH22 ARG 37 -14.390 33.157 -6.180 254 H ASN 38 HN ASN 38 -12.945 25.790 -11.855 255 HA ASN 38 HA ASN 38 -14.786 23.573 -11.364 256 HB2 ASN 38 HB1 ASN 38 -14.201 24.536 -13.704 257 HB3 ASN 38 HB2 ASN 38 -12.705 23.622 -13.532 258 HD21 ASN 38 HD21 ASN 38 -14.284 20.449 -13.735 259 HD22 ASN 38 HD22 ASN 38 -12.982 21.297 -12.979 260 H CYS 39 HN CYS 39 -11.347 24.350 -11.343 261 HA CYS 39 HA CYS 39 -10.848 21.784 -9.980 262 HB2 CYS 39 HB1 CYS 39 -8.389 22.456 -10.896 263 HB3 CYS 39 HB2 CYS 39 -9.508 21.415 -11.771 264 H GLY 40 HN GLY 40 -10.100 25.220 -10.150 265 HA2 GLY 40 HA2 GLY 40 -9.836 26.529 -8.172 266 HA3 GLY 40 HA1 GLY 40 -9.259 25.094 -7.338 267 H GLN 41 HN GLN 41 -8.068 25.825 -10.510 268 HA GLN 41 HA GLN 41 -5.450 26.436 -9.327 269 HB2 GLN 41 HB1 GLN 41 -6.003 25.603 -12.173 270 HB3 GLN 41 HB2 GLN 41 -4.452 25.627 -11.343 271 HG2 GLN 41 HG1 GLN 41 -6.016 23.966 -9.782 272 HG3 GLN 41 HG2 GLN 41 -6.478 23.564 -11.435 273 HE21 GLN 41 HE21 GLN 41 -3.352 22.203 -12.317 274 HE22 GLN 41 HE22 GLN 41 -4.780 22.970 -12.916 275 H LEU 42 HN LEU 42 -4.092 28.020 -10.418 276 HA LEU 42 HA LEU 42 -5.689 30.295 -11.332 277 HB2 LEU 42 HB1 LEU 42 -3.147 29.948 -9.901 278 HB3 LEU 42 HB2 LEU 42 -3.155 31.248 -11.091 279 HG LEU 42 HG LEU 42 -5.084 30.983 -8.785 280 HD11 LEU 42 HD11 LEU 42 -3.288 33.273 -8.842 281 HD12 LEU 42 HD12 LEU 42 -2.444 31.734 -8.670 282 HD13 LEU 42 HD13 LEU 42 -3.699 32.185 -7.516 283 HD21 LEU 42 HD21 LEU 42 -6.337 32.378 -9.985 284 HD22 LEU 42 HD22 LEU 42 -5.069 32.601 -11.190 285 HD23 LEU 42 HD23 LEU 42 -5.078 33.587 -9.727 286 H PHE 43 HN PHE 43 -5.619 31.043 -13.358 287 HA PHE 43 HA PHE 43 -3.423 30.201 -15.112 288 HB2 PHE 43 HB1 PHE 43 -6.362 30.036 -15.814 289 HB3 PHE 43 HB2 PHE 43 -5.032 29.741 -16.930 290 HD1 PHE 43 HD1 PHE 43 -7.299 28.269 -14.675 291 HD2 PHE 43 HD2 PHE 43 -3.347 27.888 -16.211 292 HE1 PHE 43 HE1 PHE 43 -7.269 25.902 -14.002 293 HE2 PHE 43 HE2 PHE 43 -3.311 25.521 -15.541 294 HZ PHE 43 HZ PHE 43 -5.274 24.525 -14.436 295 H CYS 44 HN CYS 44 -3.047 31.575 -16.914 296 HA CYS 44 HA CYS 44 -3.795 34.331 -16.390 297 HB2 CYS 44 HB1 CYS 44 -2.119 34.886 -18.096 298 HB3 CYS 44 HB2 CYS 44 -1.451 33.808 -16.876 299 H GLN 45 HN GLN 45 -4.493 35.751 -18.151 300 HA GLN 45 HA GLN 45 -6.818 34.861 -19.393 301 HB2 GLN 45 HB1 GLN 45 -6.863 36.967 -20.541 302 HB3 GLN 45 HB2 GLN 45 -6.224 37.242 -18.926 303 HG2 GLN 45 HG1 GLN 45 -3.980 37.371 -19.782 304 HG3 GLN 45 HG2 GLN 45 -4.537 36.944 -21.399 305 HE21 GLN 45 HE21 GLN 45 -4.666 40.310 -22.168 306 HE22 GLN 45 HE22 GLN 45 -4.062 38.730 -22.521 307 H LYS 46 HN LYS 46 -3.551 34.488 -20.339 308 HA LYS 46 HA LYS 46 -4.193 34.001 -23.135 309 HB2 LYS 46 HB1 LYS 46 -1.843 34.711 -21.666 310 HB3 LYS 46 HB2 LYS 46 -1.530 33.213 -22.533 311 HG2 LYS 46 HG1 LYS 46 -0.898 35.219 -23.810 312 HG3 LYS 46 HG2 LYS 46 -2.122 34.243 -24.627 313 HD2 LYS 46 HD1 LYS 46 -3.341 36.219 -22.909 314 HD3 LYS 46 HD2 LYS 46 -2.242 36.974 -24.066 315 HE2 LYS 46 HE1 LYS 46 -3.414 36.109 -25.907 316 HE3 LYS 46 HE2 LYS 46 -4.272 34.931 -24.915 317 HZ1 LYS 46 HZ1 LYS 46 -5.545 36.675 -23.921 318 HZ2 LYS 46 HZ2 LYS 46 -5.652 36.840 -25.600 319 HZ3 LYS 46 HZ3 LYS 46 -4.645 37.869 -24.713 320 H CYS 47 HN CYS 47 -4.008 32.265 -20.223 321 HA CYS 47 HA CYS 47 -3.356 29.721 -21.449 322 HB2 CYS 47 HB1 CYS 47 -3.283 30.777 -18.825 323 HB3 CYS 47 HB2 CYS 47 -4.434 29.445 -18.802 324 H SER 48 HN SER 48 -6.167 31.130 -19.775 325 HA SER 48 HA SER 48 -7.851 28.979 -20.812 326 HB2 SER 48 HB1 SER 48 -8.835 31.210 -19.056 327 HB3 SER 48 HB2 SER 48 -9.427 29.554 -19.180 328 HG SER 48 HG SER 48 -6.798 29.937 -18.327 329 H ARG 49 HN ARG 49 -7.432 32.468 -21.016 330 HA ARG 49 HA ARG 49 -8.565 34.061 -22.241 331 HB2 ARG 49 HB1 ARG 49 -8.488 33.468 -24.715 332 HB3 ARG 49 HB2 ARG 49 -6.959 33.416 -23.848 333 HG2 ARG 49 HG1 ARG 49 -7.229 30.960 -23.627 334 HG3 ARG 49 HG2 ARG 49 -8.673 31.071 -24.635 335 HD2 ARG 49 HD1 ARG 49 -6.729 32.456 -26.053 336 HD3 ARG 49 HD2 ARG 49 -5.877 31.060 -25.392 337 HE ARG 49 HE ARG 49 -8.361 30.325 -26.580 338 HH11 ARG 49 HH11 ARG 49 -5.056 31.155 -27.292 339 HH12 ARG 49 HH12 ARG 49 -5.018 30.272 -28.782 340 HH21 ARG 49 HH21 ARG 49 -8.324 29.158 -28.540 341 HH22 ARG 49 HH22 ARG 49 -6.878 29.137 -29.491 342 H PHE 50 HN PHE 50 -10.340 32.130 -20.956 343 HA PHE 50 HA PHE 50 -12.655 32.500 -22.714 344 HB2 PHE 50 HB1 PHE 50 -11.911 29.926 -21.315 345 HB3 PHE 50 HB2 PHE 50 -13.495 30.237 -22.019 346 HD1 PHE 50 HD1 PHE 50 -10.976 28.255 -22.609 347 HD2 PHE 50 HD2 PHE 50 -12.803 31.593 -24.516 348 HE1 PHE 50 HE1 PHE 50 -10.159 27.453 -24.787 349 HE2 PHE 50 HE2 PHE 50 -11.990 30.796 -26.697 350 HZ PHE 50 HZ PHE 50 -10.667 28.723 -26.835 351 H GLN 51 HN GLN 51 -14.736 31.994 -21.433 352 HA GLN 51 HA GLN 51 -14.616 32.358 -18.590 353 HB2 GLN 51 HB1 GLN 51 -14.988 34.664 -20.376 354 HB3 GLN 51 HB2 GLN 51 -16.206 34.519 -19.115 355 HG2 GLN 51 HG1 GLN 51 -13.913 34.105 -17.711 356 HG3 GLN 51 HG2 GLN 51 -13.383 35.258 -18.936 357 HE21 GLN 51 HE21 GLN 51 -16.390 36.410 -16.399 358 HE22 GLN 51 HE22 GLN 51 -16.298 34.779 -16.960 359 H SER 52 HN SER 52 -16.338 31.417 -17.699 360 HA SER 52 HA SER 52 -18.978 31.607 -18.624 361 HB2 SER 52 HB1 SER 52 -18.232 30.220 -20.489 362 HB3 SER 52 HB2 SER 52 -17.574 29.028 -19.368 363 HG SER 52 HG SER 52 -19.483 28.181 -19.315 364 H GLU 53 HN GLU 53 -20.437 30.005 -17.500 365 HA GLU 53 HA GLU 53 -19.590 29.783 -14.757 366 HB2 GLU 53 HB1 GLU 53 -21.890 28.994 -14.350 367 HB3 GLU 53 HB2 GLU 53 -21.856 30.506 -15.247 368 HG2 GLU 53 HG1 GLU 53 -23.492 29.258 -16.316 369 HG3 GLU 53 HG2 GLU 53 -22.072 29.054 -17.340 370 H ILE 54 HN ILE 54 -20.393 27.657 -13.605 371 HA ILE 54 HA ILE 54 -19.592 25.309 -15.172 372 HB ILE 54 HB ILE 54 -18.536 25.916 -12.408 373 HG12 ILE 54 HG11 ILE 54 -16.898 25.713 -14.924 374 HG13 ILE 54 HG12 ILE 54 -17.613 27.242 -14.426 375 HG21 ILE 54 HG21 ILE 54 -17.231 23.909 -12.647 376 HG22 ILE 54 HG22 ILE 54 -18.931 23.522 -12.903 377 HG23 ILE 54 HG23 ILE 54 -17.842 23.660 -14.282 378 HD11 ILE 54 HD11 ILE 54 -15.158 26.276 -13.676 379 HD12 ILE 54 HD12 ILE 54 -16.048 27.578 -12.886 380 HD13 ILE 54 HD13 ILE 54 -16.172 25.928 -12.277 381 H LYS 55 HN LYS 55 -21.856 24.835 -15.178 382 HA LYS 55 HA LYS 55 -23.504 24.610 -12.958 383 HB2 LYS 55 HB1 LYS 55 -23.507 23.643 -15.709 384 HB3 LYS 55 HB2 LYS 55 -24.306 22.530 -14.607 385 HG2 LYS 55 HG1 LYS 55 -24.961 25.449 -14.954 386 HG3 LYS 55 HG2 LYS 55 -25.891 24.088 -15.586 387 HD2 LYS 55 HD1 LYS 55 -27.027 24.019 -13.677 388 HD3 LYS 55 HD2 LYS 55 -25.532 23.623 -12.827 389 HE2 LYS 55 HE1 LYS 55 -25.179 26.248 -13.033 390 HE3 LYS 55 HE2 LYS 55 -26.940 26.223 -13.101 391 HZ1 LYS 55 HZ1 LYS 55 -26.056 24.533 -11.029 392 HZ2 LYS 55 HZ2 LYS 55 -27.011 25.925 -10.923 393 HZ3 LYS 55 HZ3 LYS 55 -25.326 26.049 -10.848 394 H ARG 56 HN ARG 56 -21.120 22.362 -14.230 395 HA ARG 56 HA ARG 56 -21.819 20.100 -12.734 396 HB2 ARG 56 HB1 ARG 56 -20.044 20.485 -14.656 397 HB3 ARG 56 HB2 ARG 56 -18.947 20.691 -13.297 398 HG2 ARG 56 HG1 ARG 56 -19.064 18.504 -12.686 399 HG3 ARG 56 HG2 ARG 56 -20.710 18.309 -13.292 400 HD2 ARG 56 HD1 ARG 56 -19.323 18.826 -15.584 401 HD3 ARG 56 HD2 ARG 56 -18.140 17.918 -14.643 402 HE ARG 56 HE ARG 56 -20.686 16.649 -14.625 403 HH11 ARG 56 HH11 ARG 56 -17.843 17.161 -16.568 404 HH12 ARG 56 HH12 ARG 56 -18.037 15.695 -17.471 405 HH21 ARG 56 HH21 ARG 56 -20.952 14.716 -15.807 406 HH22 ARG 56 HH22 ARG 56 -19.806 14.306 -17.038 407 H LEU 57 HN LEU 57 -20.436 23.068 -11.764 408 HA LEU 57 HA LEU 57 -19.607 21.904 -9.189 409 HB2 LEU 57 HB1 LEU 57 -18.616 24.208 -10.791 410 HB3 LEU 57 HB2 LEU 57 -18.495 24.291 -9.035 411 HG LEU 57 HG LEU 57 -16.443 23.488 -10.286 412 HD11 LEU 57 HD11 LEU 57 -15.794 22.145 -8.518 413 HD12 LEU 57 HD12 LEU 57 -17.393 21.422 -8.343 414 HD13 LEU 57 HD13 LEU 57 -17.114 23.083 -7.818 415 HD21 LEU 57 HD21 LEU 57 -17.975 21.968 -11.748 416 HD22 LEU 57 HD22 LEU 57 -17.795 20.827 -10.414 417 HD23 LEU 57 HD23 LEU 57 -16.370 21.409 -11.277 418 H LYS 58 HN LYS 58 -22.295 22.937 -10.284 419 HA LYS 58 HA LYS 58 -24.151 23.890 -9.371 420 HB2 LYS 58 HB1 LYS 58 -22.562 24.454 -6.876 421 HB3 LYS 58 HB2 LYS 58 -24.295 24.195 -7.028 422 HG2 LYS 58 HG1 LYS 58 -23.169 21.857 -8.003 423 HG3 LYS 58 HG2 LYS 58 -22.169 22.284 -6.613 424 HD2 LYS 58 HD1 LYS 58 -25.182 22.124 -6.575 425 HD3 LYS 58 HD2 LYS 58 -24.102 20.834 -6.038 426 HE2 LYS 58 HE1 LYS 58 -23.822 21.808 -4.058 427 HE3 LYS 58 HE2 LYS 58 -23.382 23.338 -4.813 428 HZ1 LYS 58 HZ1 LYS 58 -26.002 23.370 -5.185 429 HZ2 LYS 58 HZ2 LYS 58 -25.266 24.006 -3.802 430 HZ3 LYS 58 HZ3 LYS 58 -25.947 22.457 -3.762 431 H ILE 59 HN ILE 59 -21.965 25.434 -10.708 432 HA ILE 59 HA ILE 59 -22.491 28.098 -9.575 433 HB ILE 59 HB ILE 59 -20.376 27.400 -11.607 434 HG12 ILE 59 HG11 ILE 59 -20.094 27.647 -8.604 435 HG13 ILE 59 HG12 ILE 59 -19.995 26.146 -9.519 436 HG21 ILE 59 HG21 ILE 59 -21.376 29.828 -10.937 437 HG22 ILE 59 HG22 ILE 59 -20.045 29.683 -9.790 438 HG23 ILE 59 HG23 ILE 59 -19.735 29.553 -11.521 439 HD11 ILE 59 HD11 ILE 59 -18.000 28.244 -9.115 440 HD12 ILE 59 HD12 ILE 59 -17.796 26.526 -9.460 441 HD13 ILE 59 HD13 ILE 59 -18.125 27.657 -10.773 442 H SER 60 HN SER 60 -24.157 29.071 -10.521 443 HA SER 60 HA SER 60 -24.755 28.541 -13.329 444 HB2 SER 60 HB1 SER 60 -26.495 30.427 -11.902 445 HB3 SER 60 HB2 SER 60 -26.913 28.982 -12.822 446 HG SER 60 HG SER 60 -26.855 29.268 -10.200 447 H SER 61 HN SER 61 -23.192 30.854 -11.401 448 HA SER 61 HA SER 61 -23.650 33.072 -13.217 449 HB2 SER 61 HB1 SER 61 -21.569 33.699 -11.403 450 HB3 SER 61 HB2 SER 61 -23.244 34.250 -11.356 451 HG SER 61 HG SER 61 -23.170 33.193 -9.513 452 HA PRO 62 HA PRO 62 -20.136 32.472 -15.778 453 HB2 PRO 62 HB1 PRO 62 -19.474 35.043 -16.350 454 HB3 PRO 62 HB2 PRO 62 -20.899 34.245 -17.025 455 HG2 PRO 62 HG1 PRO 62 -20.704 36.129 -14.708 456 HG3 PRO 62 HG2 PRO 62 -21.905 36.080 -16.012 457 HD2 PRO 62 HD1 PRO 62 -22.389 35.069 -13.547 458 HD3 PRO 62 HD2 PRO 62 -23.098 34.375 -15.019 459 H VAL 63 HN VAL 63 -18.206 31.802 -15.100 460 HA VAL 63 HA VAL 63 -16.554 33.630 -13.499 461 HB VAL 63 HB VAL 63 -15.682 31.571 -12.284 462 HG11 VAL 63 HG11 VAL 63 -18.264 31.590 -11.157 463 HG12 VAL 63 HG12 VAL 63 -16.850 32.516 -10.649 464 HG13 VAL 63 HG13 VAL 63 -17.983 33.201 -11.816 465 HG21 VAL 63 HG21 VAL 63 -17.204 29.666 -12.122 466 HG22 VAL 63 HG22 VAL 63 -18.264 30.404 -13.324 467 HG23 VAL 63 HG23 VAL 63 -16.639 29.891 -13.778 468 H ARG 64 HN ARG 64 -14.238 32.530 -13.316 469 HA ARG 64 HA ARG 64 -13.313 32.299 -16.035 470 HB2 ARG 64 HB1 ARG 64 -11.233 32.789 -15.223 471 HB3 ARG 64 HB2 ARG 64 -12.203 33.447 -13.912 472 HG2 ARG 64 HG1 ARG 64 -10.644 32.247 -12.746 473 HG3 ARG 64 HG2 ARG 64 -11.932 31.050 -12.905 474 HD2 ARG 64 HD1 ARG 64 -9.812 30.022 -13.422 475 HD3 ARG 64 HD2 ARG 64 -10.785 30.130 -14.888 476 HE ARG 64 HE ARG 64 -8.385 31.683 -14.269 477 HH11 ARG 64 HH11 ARG 64 -10.967 30.896 -16.468 478 HH12 ARG 64 HH12 ARG 64 -10.200 31.631 -17.837 479 HH21 ARG 64 HH21 ARG 64 -7.366 32.655 -16.064 480 HH22 ARG 64 HH22 ARG 64 -8.152 32.631 -17.606 481 H VAL 65 HN VAL 65 -12.624 30.513 -17.077 482 HA VAL 65 HA VAL 65 -12.253 28.026 -15.584 483 HB VAL 65 HB VAL 65 -13.603 26.781 -17.290 484 HG11 VAL 65 HG11 VAL 65 -14.385 27.971 -14.959 485 HG12 VAL 65 HG12 VAL 65 -15.611 28.540 -16.093 486 HG13 VAL 65 HG13 VAL 65 -15.343 26.810 -15.878 487 HG21 VAL 65 HG21 VAL 65 -13.591 28.573 -18.998 488 HG22 VAL 65 HG22 VAL 65 -15.210 27.970 -18.642 489 HG23 VAL 65 HG23 VAL 65 -14.679 29.514 -17.977 490 H CYS 66 HN CYS 66 -10.608 26.833 -16.338 491 HA CYS 66 HA CYS 66 -8.882 27.848 -18.322 492 HB2 CYS 66 HB1 CYS 66 -7.694 25.664 -18.073 493 HB3 CYS 66 HB2 CYS 66 -7.996 26.483 -16.544 494 H GLN 67 HN GLN 67 -8.348 27.030 -20.379 495 HA GLN 67 HA GLN 67 -10.438 26.475 -22.086 496 HB2 GLN 67 HB1 GLN 67 -8.873 26.340 -23.749 497 HB3 GLN 67 HB2 GLN 67 -7.893 27.093 -22.499 498 HG2 GLN 67 HG1 GLN 67 -7.974 24.142 -23.087 499 HG3 GLN 67 HG2 GLN 67 -6.738 25.261 -23.661 500 HE21 GLN 67 HE21 GLN 67 -5.733 23.460 -20.502 501 HE22 GLN 67 HE22 GLN 67 -6.450 22.916 -21.977 502 H ASN 68 HN ASN 68 -8.558 24.281 -20.139 503 HA ASN 68 HA ASN 68 -9.272 21.882 -21.466 504 HB2 ASN 68 HB1 ASN 68 -7.594 22.578 -19.361 505 HB3 ASN 68 HB2 ASN 68 -8.825 21.571 -18.605 506 HD21 ASN 68 HD21 ASN 68 -8.025 18.771 -20.808 507 HD22 ASN 68 HD22 ASN 68 -9.414 19.707 -20.382 508 H CYS 69 HN CYS 69 -10.765 23.775 -18.912 509 HA CYS 69 HA CYS 69 -12.824 21.776 -18.462 510 HB2 CYS 69 HB1 CYS 69 -12.164 24.437 -17.230 511 HB3 CYS 69 HB2 CYS 69 -13.722 23.673 -16.931 512 H TYR 70 HN TYR 70 -12.611 25.108 -19.682 513 HA TYR 70 HA TYR 70 -15.266 25.576 -20.250 514 HB2 TYR 70 HB1 TYR 70 -13.488 27.267 -20.477 515 HB3 TYR 70 HB2 TYR 70 -12.884 26.436 -21.906 516 HD1 TYR 70 HD1 TYR 70 -14.194 26.452 -23.996 517 HD2 TYR 70 HD2 TYR 70 -15.422 28.679 -20.585 518 HE1 TYR 70 HE1 TYR 70 -15.714 27.770 -25.411 519 HE2 TYR 70 HE2 TYR 70 -16.946 30.003 -21.990 520 HH TYR 70 HH TYR 70 -18.109 29.242 -24.666 521 H TYR 71 HN TYR 71 -12.843 24.042 -22.351 522 HA TYR 71 HA TYR 71 -14.376 23.633 -24.607 523 HB2 TYR 71 HB1 TYR 71 -11.976 22.407 -23.440 524 HB3 TYR 71 HB2 TYR 71 -12.874 21.339 -24.513 525 HD1 TYR 71 HD1 TYR 71 -10.148 23.296 -24.522 526 HD2 TYR 71 HD2 TYR 71 -13.816 22.949 -26.651 527 HE1 TYR 71 HE1 TYR 71 -9.117 24.394 -26.467 528 HE2 TYR 71 HE2 TYR 71 -12.794 24.044 -28.602 529 HH TYR 71 HH TYR 71 -10.888 24.788 -29.507 530 H ASN 72 HN ASN 72 -14.214 21.682 -21.665 531 HA ASN 72 HA ASN 72 -16.039 19.696 -22.676 532 HB2 ASN 72 HB1 ASN 72 -14.581 20.160 -20.114 533 HB3 ASN 72 HB2 ASN 72 -16.003 19.123 -20.080 534 HD21 ASN 72 HD21 ASN 72 -14.206 16.388 -21.125 535 HD22 ASN 72 HD22 ASN 72 -15.485 17.074 -20.187 536 H LEU 73 HN LEU 73 -16.262 22.682 -20.954 537 HA LEU 73 HA LEU 73 -18.807 22.260 -19.759 538 HB2 LEU 73 HB1 LEU 73 -17.104 24.645 -20.330 539 HB3 LEU 73 HB2 LEU 73 -18.775 24.870 -19.818 540 HG LEU 73 HG LEU 73 -16.660 23.397 -18.248 541 HD11 LEU 73 HD11 LEU 73 -17.547 25.670 -16.876 542 HD12 LEU 73 HD12 LEU 73 -17.214 26.200 -18.524 543 HD13 LEU 73 HD13 LEU 73 -15.957 25.393 -17.587 544 HD21 LEU 73 HD21 LEU 73 -18.335 23.558 -16.425 545 HD22 LEU 73 HD22 LEU 73 -18.852 22.536 -17.765 546 HD23 LEU 73 HD23 LEU 73 -19.502 24.167 -17.598 547 H GLN 74 HN GLN 74 -17.745 23.767 -22.784 548 HA GLN 74 HA GLN 74 -20.417 24.451 -23.585 549 HB2 GLN 74 HB1 GLN 74 -19.321 25.010 -25.767 550 HB3 GLN 74 HB2 GLN 74 -18.642 25.847 -24.377 551 HG2 GLN 74 HG1 GLN 74 -16.634 24.923 -24.655 552 HG3 GLN 74 HG2 GLN 74 -17.308 23.326 -24.977 553 HE21 GLN 74 HE21 GLN 74 -16.148 23.650 -28.225 554 HE22 GLN 74 HE22 GLN 74 -16.093 22.805 -26.719 555 H HIS 75 HN HIS 75 -18.409 21.678 -23.810 556 HA HIS 75 HA HIS 75 -19.406 20.484 -26.146 557 HB2 HIS 75 HB1 HIS 75 -17.410 19.633 -25.070 558 HB3 HIS 75 HB2 HIS 75 -18.321 19.226 -23.619 559 HD1 HIS 75 HD1 HIS 75 -19.885 17.138 -23.752 560 HD2 HIS 75 HD2 HIS 75 -17.551 17.777 -27.129 561 HE1 HIS 75 HE1 HIS 75 -20.012 15.001 -25.071 562 H GLU 76 HN GLU 76 -20.744 20.801 -22.960 563 HA GLU 76 HA GLU 76 -22.687 18.719 -23.216 564 HB2 GLU 76 HB1 GLU 76 -23.557 19.472 -21.149 565 HB3 GLU 76 HB2 GLU 76 -21.817 19.700 -21.046 566 HG2 GLU 76 HG1 GLU 76 -22.354 21.734 -20.299 567 HG3 GLU 76 HG2 GLU 76 -22.588 22.109 -22.005 568 H ARG 77 HN ARG 77 -22.503 22.047 -24.158 569 HA ARG 77 HA ARG 77 -25.323 21.951 -25.008 570 HB2 ARG 77 HB1 ARG 77 -25.120 24.498 -25.009 571 HB3 ARG 77 HB2 ARG 77 -25.177 23.702 -23.442 572 HG2 ARG 77 HG1 ARG 77 -23.104 24.356 -22.890 573 HG3 ARG 77 HG2 ARG 77 -22.479 24.102 -24.521 574 HD2 ARG 77 HD1 ARG 77 -23.674 26.192 -25.208 575 HD3 ARG 77 HD2 ARG 77 -24.052 26.464 -23.507 576 HE ARG 77 HE ARG 77 -21.517 26.863 -24.809 577 HH11 ARG 77 HH11 ARG 77 -23.130 26.281 -21.779 578 HH12 ARG 77 HH12 ARG 77 -21.854 26.956 -20.821 579 HH21 ARG 77 HH21 ARG 77 -19.830 27.754 -23.558 580 HH22 ARG 77 HH22 ARG 77 -19.978 27.794 -21.834 581 H GLY 78 HN GLY 78 -23.371 20.781 -26.593 582 HA2 GLY 78 HA2 GLY 78 -23.209 20.780 -28.951 583 HA3 GLY 78 HA1 GLY 78 -23.531 22.508 -28.950 Start of MODEL 10 1 H1 SER 1 HN SER 1 27.293 8.475 -13.126 2 HA SER 1 HA SER 1 26.583 9.328 -10.401 3 HB2 SER 1 HB1 SER 1 28.338 10.685 -12.386 4 HB3 SER 1 HB2 SER 1 27.250 11.701 -11.440 5 HG SER 1 HG SER 1 29.520 11.007 -10.635 6 H ASN 2 HN ASN 2 24.456 9.582 -10.343 7 HA ASN 2 HA ASN 2 23.053 10.471 -12.762 8 HB2 ASN 2 HB1 ASN 2 22.008 9.160 -10.243 9 HB3 ASN 2 HB2 ASN 2 21.006 9.662 -11.601 10 HD21 ASN 2 HD21 ASN 2 22.281 7.113 -13.779 11 HD22 ASN 2 HD22 ASN 2 21.872 8.792 -13.770 12 H ALA 3 HN ALA 3 20.871 11.665 -12.011 13 HA ALA 3 HA ALA 3 21.128 13.479 -9.828 14 HB1 ALA 3 HB1 ALA 3 22.036 14.337 -12.516 15 HB2 ALA 3 HB2 ALA 3 21.085 15.485 -11.572 16 HB3 ALA 3 HB3 ALA 3 22.589 14.837 -10.917 17 H GLY 4 HN GLY 4 19.462 15.419 -10.275 18 HA2 GLY 4 HA2 GLY 4 17.343 15.468 -11.879 19 HA3 GLY 4 HA1 GLY 4 16.961 14.060 -10.900 20 H ARG 5 HN ARG 5 15.349 16.352 -11.011 21 HA ARG 5 HA ARG 5 15.005 16.878 -8.253 22 HB2 ARG 5 HB1 ARG 5 16.823 18.609 -9.609 23 HB3 ARG 5 HB2 ARG 5 15.370 19.525 -9.233 24 HG2 ARG 5 HG1 ARG 5 16.143 17.952 -6.965 25 HG3 ARG 5 HG2 ARG 5 17.508 18.916 -7.532 26 HD2 ARG 5 HD1 ARG 5 15.609 20.783 -7.655 27 HD3 ARG 5 HD2 ARG 5 14.911 19.774 -6.389 28 HE ARG 5 HE ARG 5 17.564 20.189 -5.710 29 HH11 ARG 5 HH11 ARG 5 14.695 22.101 -6.188 30 HH12 ARG 5 HH12 ARG 5 15.164 23.325 -5.055 31 HH21 ARG 5 HH21 ARG 5 18.193 21.794 -4.216 32 HH22 ARG 5 HH22 ARG 5 17.154 23.150 -3.934 33 H SER 6 HN SER 6 13.297 18.646 -7.926 34 HA SER 6 HA SER 6 11.177 18.137 -9.830 35 HB2 SER 6 HB1 SER 6 11.008 18.196 -7.226 36 HB3 SER 6 HB2 SER 6 10.895 19.942 -7.446 37 HG SER 6 HG SER 6 9.226 18.067 -8.766 38 H ALA 7 HN ALA 7 9.634 20.209 -10.052 39 HA ALA 7 HA ALA 7 9.285 22.239 -11.028 40 HB1 ALA 7 HB1 ALA 7 10.282 23.754 -9.747 41 HB2 ALA 7 HB2 ALA 7 11.600 22.647 -9.360 42 HB3 ALA 7 HB3 ALA 7 11.684 23.644 -10.812 43 H ALA 8 HN ALA 8 12.774 22.071 -11.631 44 HA ALA 8 HA ALA 8 13.992 21.889 -13.547 45 HB1 ALA 8 HB1 ALA 8 11.805 20.807 -15.193 46 HB2 ALA 8 HB2 ALA 8 13.443 20.204 -14.936 47 HB3 ALA 8 HB3 ALA 8 12.190 19.890 -13.736 48 H ASP 9 HN ASP 9 11.750 24.031 -13.048 49 HA ASP 9 HA ASP 9 12.487 25.795 -15.064 50 HB2 ASP 9 HB1 ASP 9 10.748 23.892 -16.090 51 HB3 ASP 9 HB2 ASP 9 9.703 25.268 -15.749 52 H HIS 10 HN HIS 10 11.947 25.722 -12.250 53 HA HIS 10 HA HIS 10 10.379 28.126 -12.048 54 HB2 HIS 10 HB1 HIS 10 8.720 26.182 -11.954 55 HB3 HIS 10 HB2 HIS 10 9.451 25.776 -10.403 56 HD1 HIS 10 HD1 HIS 10 6.989 26.267 -9.464 57 HD2 HIS 10 HD2 HIS 10 9.086 29.553 -10.901 58 HE1 HIS 10 HE1 HIS 10 5.797 28.281 -8.543 59 H TRP 11 HN TRP 11 12.060 25.505 -10.383 60 HA TRP 11 HA TRP 11 13.542 25.499 -8.658 61 HB2 TRP 11 HB1 TRP 11 14.271 27.632 -10.131 62 HB3 TRP 11 HB2 TRP 11 13.865 28.447 -8.624 63 HD1 TRP 11 HD1 TRP 11 15.139 27.164 -6.367 64 HE1 TRP 11 HE1 TRP 11 17.620 26.498 -6.213 65 HE3 TRP 11 HE3 TRP 11 16.252 27.019 -11.355 66 HZ2 TRP 11 HZ2 TRP 11 19.765 25.980 -7.972 67 HZ3 TRP 11 HZ3 TRP 11 18.542 26.430 -12.035 68 HH2 TRP 11 HH2 TRP 11 20.261 25.922 -10.378 69 H VAL 12 HN VAL 12 10.661 25.951 -8.223 70 HA VAL 12 HA VAL 12 10.703 26.312 -5.431 71 HB VAL 12 HB VAL 12 10.988 28.713 -6.241 72 HG11 VAL 12 HG11 VAL 12 9.427 29.745 -7.482 73 HG12 VAL 12 HG12 VAL 12 8.945 28.108 -7.932 74 HG13 VAL 12 HG13 VAL 12 8.094 28.956 -6.640 75 HG21 VAL 12 HG21 VAL 12 8.507 28.735 -4.680 76 HG22 VAL 12 HG22 VAL 12 9.759 27.665 -4.049 77 HG23 VAL 12 HG23 VAL 12 10.101 29.378 -4.288 78 H LYS 13 HN LYS 13 8.543 26.201 -4.470 79 HA LYS 13 HA LYS 13 6.523 25.152 -6.340 80 HB2 LYS 13 HB1 LYS 13 5.849 23.633 -4.395 81 HB3 LYS 13 HB2 LYS 13 7.323 23.222 -5.261 82 HG2 LYS 13 HG1 LYS 13 8.671 23.740 -3.498 83 HG3 LYS 13 HG2 LYS 13 7.556 24.949 -2.857 84 HD2 LYS 13 HD1 LYS 13 6.990 23.404 -1.343 85 HD3 LYS 13 HD2 LYS 13 6.125 22.602 -2.656 86 HE2 LYS 13 HE1 LYS 13 7.452 20.900 -1.824 87 HE3 LYS 13 HE2 LYS 13 8.419 21.510 -3.166 88 HZ1 LYS 13 HZ1 LYS 13 9.321 21.173 -0.657 89 HZ2 LYS 13 HZ2 LYS 13 8.922 22.817 -0.643 90 HZ3 LYS 13 HZ3 LYS 13 10.013 22.222 -1.790 91 H ASP 14 HN ASP 14 5.388 27.097 -6.375 92 HA ASP 14 HA ASP 14 3.541 27.459 -4.221 93 HB2 ASP 14 HB1 ASP 14 5.919 28.898 -3.998 94 HB3 ASP 14 HB2 ASP 14 4.767 30.057 -4.655 95 H GLU 15 HN GLU 15 3.650 26.972 -7.138 96 HA GLU 15 HA GLU 15 2.822 29.251 -8.567 97 HB2 GLU 15 HB1 GLU 15 1.841 27.560 -10.170 98 HB3 GLU 15 HB2 GLU 15 3.552 27.371 -9.817 99 HG2 GLU 15 HG1 GLU 15 2.071 25.833 -7.941 100 HG3 GLU 15 HG2 GLU 15 1.481 25.470 -9.562 101 H GLY 16 HN GLY 16 1.224 27.382 -6.215 102 HA2 GLY 16 HA2 GLY 16 -1.445 28.115 -7.152 103 HA3 GLY 16 HA1 GLY 16 -1.073 27.069 -5.789 104 H GLY 17 HN GLY 17 -0.921 30.455 -6.853 105 HA2 GLY 17 HA2 GLY 17 -2.151 31.423 -4.499 106 HA3 GLY 17 HA1 GLY 17 -0.410 31.623 -4.372 107 H ASP 18 HN ASP 18 0.335 32.317 -6.886 108 HA ASP 18 HA ASP 18 -1.353 34.406 -7.924 109 HB2 ASP 18 HB1 ASP 18 1.097 35.040 -6.301 110 HB3 ASP 18 HB2 ASP 18 0.551 36.126 -7.575 111 H SER 19 HN SER 19 -0.128 32.019 -8.944 112 HA SER 19 HA SER 19 1.298 33.202 -11.194 113 HB2 SER 19 HB1 SER 19 2.429 30.768 -9.809 114 HB3 SER 19 HB2 SER 19 3.166 31.723 -11.095 115 HG SER 19 HG SER 19 2.914 33.496 -9.382 116 H CYS 20 HN CYS 20 0.869 32.221 -13.105 117 HA CYS 20 HA CYS 20 -1.368 30.656 -13.449 118 HB2 CYS 20 HB1 CYS 20 -0.158 31.925 -15.238 119 HB3 CYS 20 HB2 CYS 20 1.044 30.640 -15.271 120 H SER 21 HN SER 21 -1.666 28.445 -14.056 121 HA SER 21 HA SER 21 0.207 26.663 -12.674 122 HB2 SER 21 HB1 SER 21 -2.530 26.830 -12.529 123 HB3 SER 21 HB2 SER 21 -2.303 25.500 -13.666 124 HG SER 21 HG SER 21 -0.759 25.526 -11.337 125 H GLY 22 HN GLY 22 -1.167 27.354 -15.803 126 HA2 GLY 22 HA2 GLY 22 0.072 24.960 -16.956 127 HA3 GLY 22 HA1 GLY 22 -1.063 26.028 -17.768 128 H CYS 23 HN CYS 23 0.962 28.086 -16.303 129 HA CYS 23 HA CYS 23 3.000 28.004 -18.417 130 HB2 CYS 23 HB1 CYS 23 1.356 30.413 -17.616 131 HB3 CYS 23 HB2 CYS 23 2.800 30.494 -18.621 132 H SER 24 HN SER 24 2.041 28.842 -15.192 133 HA SER 24 HA SER 24 3.261 29.183 -13.296 134 HB2 SER 24 HB1 SER 24 5.878 28.947 -14.706 135 HB3 SER 24 HB2 SER 24 5.378 28.297 -13.145 136 HG SER 24 HG SER 24 5.597 26.911 -15.248 137 H VAL 25 HN VAL 25 2.941 31.181 -15.703 138 HA VAL 25 HA VAL 25 5.002 33.113 -15.300 139 HB VAL 25 HB VAL 25 3.900 33.151 -17.407 140 HG11 VAL 25 HG11 VAL 25 1.500 32.855 -15.776 141 HG12 VAL 25 HG12 VAL 25 1.319 34.026 -17.084 142 HG13 VAL 25 HG13 VAL 25 1.805 32.368 -17.443 143 HG21 VAL 25 HG21 VAL 25 3.386 35.432 -17.634 144 HG22 VAL 25 HG22 VAL 25 2.757 35.542 -15.990 145 HG23 VAL 25 HG23 VAL 25 4.490 35.353 -16.261 146 H ARG 26 HN ARG 26 5.199 34.539 -13.710 147 HA ARG 26 HA ARG 26 3.343 34.712 -11.587 148 HB2 ARG 26 HB1 ARG 26 5.469 36.763 -12.173 149 HB3 ARG 26 HB2 ARG 26 4.817 36.286 -10.611 150 HG2 ARG 26 HG1 ARG 26 6.608 34.659 -12.400 151 HG3 ARG 26 HG2 ARG 26 7.023 35.387 -10.847 152 HD2 ARG 26 HD1 ARG 26 4.747 33.821 -10.378 153 HD3 ARG 26 HD2 ARG 26 5.796 32.847 -11.408 154 HE ARG 26 HE ARG 26 6.230 33.531 -8.667 155 HH11 ARG 26 HH11 ARG 26 7.820 32.783 -11.673 156 HH12 ARG 26 HH12 ARG 26 9.263 32.197 -10.914 157 HH21 ARG 26 HH21 ARG 26 8.125 32.762 -7.657 158 HH22 ARG 26 HH22 ARG 26 9.436 32.185 -8.630 159 H PHE 27 HN PHE 27 1.412 35.638 -11.722 160 HA PHE 27 HA PHE 27 0.541 37.386 -13.691 161 HB2 PHE 27 HB1 PHE 27 -0.516 37.193 -10.863 162 HB3 PHE 27 HB2 PHE 27 -1.385 37.819 -12.261 163 HD1 PHE 27 HD1 PHE 27 -1.188 36.000 -14.338 164 HD2 PHE 27 HD2 PHE 27 -1.262 35.151 -10.168 165 HE1 PHE 27 HE1 PHE 27 -2.045 33.744 -14.816 166 HE2 PHE 27 HE2 PHE 27 -2.118 32.893 -10.640 167 HZ PHE 27 HZ PHE 27 -2.510 32.187 -12.966 168 H SER 28 HN SER 28 0.208 39.614 -13.777 169 HA SER 28 HA SER 28 1.130 41.339 -11.667 170 HB2 SER 28 HB1 SER 28 2.659 41.264 -14.279 171 HB3 SER 28 HB2 SER 28 2.892 42.443 -12.988 172 HG SER 28 HG SER 28 3.910 40.985 -11.818 173 H LEU 29 HN LEU 29 1.414 43.696 -12.929 174 HA LEU 29 HA LEU 29 -1.185 44.506 -13.475 175 HB2 LEU 29 HB1 LEU 29 1.253 45.888 -14.558 176 HB3 LEU 29 HB2 LEU 29 -0.287 46.606 -14.092 177 HG LEU 29 HG LEU 29 0.580 45.495 -11.739 178 HD11 LEU 29 HD11 LEU 29 2.779 45.131 -13.077 179 HD12 LEU 29 HD12 LEU 29 2.848 45.783 -11.440 180 HD13 LEU 29 HD13 LEU 29 3.003 46.863 -12.826 181 HD21 LEU 29 HD21 LEU 29 1.239 47.878 -11.199 182 HD22 LEU 29 HD22 LEU 29 -0.397 47.643 -11.815 183 HD23 LEU 29 HD23 LEU 29 0.866 48.263 -12.880 184 H THR 30 HN THR 30 1.189 43.097 -15.558 185 HA THR 30 HA THR 30 -0.339 43.787 -17.956 186 HB THR 30 HB THR 30 1.516 42.849 -19.229 187 HG1 THR 30 HG1 THR 30 2.573 41.320 -18.203 188 HG21 THR 30 HG21 THR 30 2.894 44.641 -18.957 189 HG22 THR 30 HG22 THR 30 2.976 44.450 -17.206 190 HG23 THR 30 HG23 THR 30 1.559 45.193 -17.946 191 H GLU 31 HN GLU 31 0.222 41.178 -15.779 192 HA GLU 31 HA GLU 31 -1.218 39.352 -17.591 193 HB2 GLU 31 HB1 GLU 31 1.163 38.733 -16.970 194 HB3 GLU 31 HB2 GLU 31 0.588 38.516 -15.323 195 HG2 GLU 31 HG1 GLU 31 0.675 36.386 -16.397 196 HG3 GLU 31 HG2 GLU 31 -1.014 36.825 -16.149 197 H ARG 32 HN ARG 32 -3.285 39.282 -17.001 198 HA ARG 32 HA ARG 32 -4.154 39.810 -14.326 199 HB2 ARG 32 HB1 ARG 32 -5.406 39.334 -16.942 200 HB3 ARG 32 HB2 ARG 32 -6.334 38.728 -15.577 201 HG2 ARG 32 HG1 ARG 32 -5.306 41.428 -15.177 202 HG3 ARG 32 HG2 ARG 32 -6.407 41.280 -16.548 203 HD2 ARG 32 HD1 ARG 32 -7.153 40.002 -13.964 204 HD3 ARG 32 HD2 ARG 32 -7.302 41.752 -14.115 205 HE ARG 32 HE ARG 32 -8.516 40.518 -16.331 206 HH11 ARG 32 HH11 ARG 32 -8.973 40.964 -12.909 207 HH12 ARG 32 HH12 ARG 32 -10.700 40.854 -12.993 208 HH21 ARG 32 HH21 ARG 32 -10.789 40.370 -16.455 209 HH22 ARG 32 HH22 ARG 32 -11.732 40.515 -15.010 210 H ARG 33 HN ARG 33 -5.244 38.373 -12.917 211 HA ARG 33 HA ARG 33 -4.555 35.540 -13.348 212 HB2 ARG 33 HB1 ARG 33 -4.227 35.285 -10.998 213 HB3 ARG 33 HB2 ARG 33 -3.326 36.712 -11.494 214 HG2 ARG 33 HG1 ARG 33 -4.554 38.082 -10.219 215 HG3 ARG 33 HG2 ARG 33 -6.064 37.257 -10.611 216 HD2 ARG 33 HD1 ARG 33 -5.434 35.445 -9.054 217 HD3 ARG 33 HD2 ARG 33 -3.986 36.353 -8.622 218 HE ARG 33 HE ARG 33 -6.150 38.037 -8.210 219 HH11 ARG 33 HH11 ARG 33 -4.953 35.012 -6.970 220 HH12 ARG 33 HH12 ARG 33 -5.643 35.235 -5.396 221 HH21 ARG 33 HH21 ARG 33 -7.063 38.342 -6.142 222 HH22 ARG 33 HH22 ARG 33 -6.843 37.129 -4.926 223 H HIS 34 HN HIS 34 -6.019 33.958 -12.489 224 HA HIS 34 HA HIS 34 -8.585 34.704 -11.483 225 HB2 HIS 34 HB1 HIS 34 -9.960 34.091 -13.341 226 HB3 HIS 34 HB2 HIS 34 -8.778 35.253 -13.936 227 HD1 HIS 34 HD1 HIS 34 -7.070 34.429 -15.658 228 HD2 HIS 34 HD2 HIS 34 -9.650 31.462 -14.314 229 HE1 HIS 34 HE1 HIS 34 -6.729 32.485 -17.217 230 H HIS 35 HN HIS 35 -9.328 33.079 -10.278 231 HA HIS 35 HA HIS 35 -8.002 30.491 -10.467 232 HB2 HIS 35 HB1 HIS 35 -9.042 32.063 -8.341 233 HB3 HIS 35 HB2 HIS 35 -9.962 30.561 -8.385 234 HD1 HIS 35 HD1 HIS 35 -7.406 31.760 -6.507 235 HD2 HIS 35 HD2 HIS 35 -7.648 28.404 -8.945 236 HE1 HIS 35 HE1 HIS 35 -5.624 30.193 -5.673 237 H CYS 36 HN CYS 36 -8.933 28.675 -11.194 238 HA CYS 36 HA CYS 36 -11.508 28.853 -12.468 239 HB2 CYS 36 HB1 CYS 36 -9.581 27.598 -13.444 240 HB3 CYS 36 HB2 CYS 36 -9.724 26.433 -12.132 241 H ARG 37 HN ARG 37 -13.400 28.376 -11.580 242 HA ARG 37 HA ARG 37 -13.538 27.300 -8.917 243 HB2 ARG 37 HB1 ARG 37 -15.934 27.703 -10.674 244 HB3 ARG 37 HB2 ARG 37 -15.789 27.905 -8.933 245 HG2 ARG 37 HG1 ARG 37 -14.700 29.725 -11.067 246 HG3 ARG 37 HG2 ARG 37 -16.025 30.058 -9.950 247 HD2 ARG 37 HD1 ARG 37 -14.328 29.712 -8.086 248 HD3 ARG 37 HD2 ARG 37 -13.094 29.786 -9.342 249 HE ARG 37 HE ARG 37 -14.858 32.018 -9.461 250 HH11 ARG 37 HH11 ARG 37 -12.117 30.711 -7.759 251 HH12 ARG 37 HH12 ARG 37 -11.507 32.261 -7.284 252 HH21 ARG 37 HH21 ARG 37 -14.065 34.066 -8.842 253 HH22 ARG 37 HH22 ARG 37 -12.617 34.169 -7.900 254 H ASN 38 HN ASN 38 -13.000 25.816 -11.732 255 HA ASN 38 HA ASN 38 -14.818 23.568 -11.313 256 HB2 ASN 38 HB1 ASN 38 -14.235 24.631 -13.614 257 HB3 ASN 38 HB2 ASN 38 -12.745 23.702 -13.483 258 HD21 ASN 38 HD21 ASN 38 -15.659 21.895 -15.175 259 HD22 ASN 38 HD22 ASN 38 -15.179 23.553 -15.252 260 H CYS 39 HN CYS 39 -11.377 24.348 -11.289 261 HA CYS 39 HA CYS 39 -10.870 21.741 -10.012 262 HB2 CYS 39 HB1 CYS 39 -8.421 22.418 -10.937 263 HB3 CYS 39 HB2 CYS 39 -9.561 21.424 -11.838 264 H GLY 40 HN GLY 40 -10.101 25.176 -10.098 265 HA2 GLY 40 HA2 GLY 40 -9.818 26.422 -8.076 266 HA3 GLY 40 HA1 GLY 40 -9.216 24.964 -7.303 267 H GLN 41 HN GLN 41 -8.101 25.827 -10.473 268 HA GLN 41 HA GLN 41 -5.474 26.466 -9.313 269 HB2 GLN 41 HB1 GLN 41 -6.037 25.549 -12.133 270 HB3 GLN 41 HB2 GLN 41 -4.473 25.653 -11.335 271 HG2 GLN 41 HG1 GLN 41 -6.036 23.980 -9.728 272 HG3 GLN 41 HG2 GLN 41 -6.352 23.490 -11.392 273 HE21 GLN 41 HE21 GLN 41 -2.705 22.898 -9.686 274 HE22 GLN 41 HE22 GLN 41 -3.886 23.924 -8.953 275 H LEU 42 HN LEU 42 -4.234 28.164 -10.204 276 HA LEU 42 HA LEU 42 -5.874 30.309 -11.318 277 HB2 LEU 42 HB1 LEU 42 -3.467 30.139 -9.657 278 HB3 LEU 42 HB2 LEU 42 -3.407 31.397 -10.890 279 HG LEU 42 HG LEU 42 -5.653 31.150 -8.898 280 HD11 LEU 42 HD11 LEU 42 -3.197 31.578 -8.038 281 HD12 LEU 42 HD12 LEU 42 -4.568 32.484 -7.399 282 HD13 LEU 42 HD13 LEU 42 -3.527 33.208 -8.625 283 HD21 LEU 42 HD21 LEU 42 -4.978 33.759 -9.995 284 HD22 LEU 42 HD22 LEU 42 -6.538 32.942 -9.890 285 HD23 LEU 42 HD23 LEU 42 -5.449 32.594 -11.233 286 H PHE 43 HN PHE 43 -5.734 30.950 -13.367 287 HA PHE 43 HA PHE 43 -3.369 30.161 -14.930 288 HB2 PHE 43 HB1 PHE 43 -6.244 30.090 -15.870 289 HB3 PHE 43 HB2 PHE 43 -4.834 29.741 -16.865 290 HD1 PHE 43 HD1 PHE 43 -3.383 27.767 -16.238 291 HD2 PHE 43 HD2 PHE 43 -7.246 28.426 -14.576 292 HE1 PHE 43 HE1 PHE 43 -3.493 25.403 -15.566 293 HE2 PHE 43 HE2 PHE 43 -7.362 26.063 -13.900 294 HZ PHE 43 HZ PHE 43 -5.484 24.548 -14.394 295 H CYS 44 HN CYS 44 -3.109 31.455 -16.942 296 HA CYS 44 HA CYS 44 -3.628 34.263 -16.344 297 HB2 CYS 44 HB1 CYS 44 -1.967 34.734 -18.084 298 HB3 CYS 44 HB2 CYS 44 -1.330 33.601 -16.897 299 H GLN 45 HN GLN 45 -4.290 35.726 -18.085 300 HA GLN 45 HA GLN 45 -6.698 34.987 -19.257 301 HB2 GLN 45 HB1 GLN 45 -6.455 37.274 -19.050 302 HB3 GLN 45 HB2 GLN 45 -4.802 37.261 -19.650 303 HG2 GLN 45 HG1 GLN 45 -5.436 37.387 -21.818 304 HG3 GLN 45 HG2 GLN 45 -6.922 36.476 -21.554 305 HE21 GLN 45 HE21 GLN 45 -8.678 39.404 -20.328 306 HE22 GLN 45 HE22 GLN 45 -8.371 37.771 -19.854 307 H LYS 46 HN LYS 46 -3.469 34.485 -20.342 308 HA LYS 46 HA LYS 46 -4.253 33.974 -23.093 309 HB2 LYS 46 HB1 LYS 46 -1.914 34.838 -21.937 310 HB3 LYS 46 HB2 LYS 46 -1.562 33.147 -22.271 311 HG2 LYS 46 HG1 LYS 46 -2.843 34.412 -24.526 312 HG3 LYS 46 HG2 LYS 46 -1.384 35.279 -24.040 313 HD2 LYS 46 HD1 LYS 46 -0.041 33.638 -24.764 314 HD3 LYS 46 HD2 LYS 46 -1.056 32.378 -24.058 315 HE2 LYS 46 HE1 LYS 46 -2.357 32.182 -25.953 316 HE3 LYS 46 HE2 LYS 46 -1.990 33.816 -26.501 317 HZ1 LYS 46 HZ1 LYS 46 -0.026 31.591 -26.470 318 HZ2 LYS 46 HZ2 LYS 46 0.191 33.127 -27.143 319 HZ3 LYS 46 HZ3 LYS 46 -0.917 32.052 -27.833 320 H CYS 47 HN CYS 47 -4.034 32.265 -20.170 321 HA CYS 47 HA CYS 47 -3.514 29.681 -21.363 322 HB2 CYS 47 HB1 CYS 47 -3.431 30.783 -18.741 323 HB3 CYS 47 HB2 CYS 47 -4.575 29.444 -18.721 324 H SER 48 HN SER 48 -6.265 31.282 -19.775 325 HA SER 48 HA SER 48 -8.035 29.171 -20.777 326 HB2 SER 48 HB1 SER 48 -8.902 31.413 -18.969 327 HB3 SER 48 HB2 SER 48 -9.583 29.794 -19.130 328 HG SER 48 HG SER 48 -6.932 30.042 -18.275 329 H ARG 49 HN ARG 49 -7.528 32.660 -20.891 330 HA ARG 49 HA ARG 49 -8.623 34.307 -22.079 331 HB2 ARG 49 HB1 ARG 49 -8.579 33.704 -24.588 332 HB3 ARG 49 HB2 ARG 49 -7.053 33.761 -23.717 333 HG2 ARG 49 HG1 ARG 49 -7.234 31.276 -23.432 334 HG3 ARG 49 HG2 ARG 49 -8.609 31.324 -24.537 335 HD2 ARG 49 HD1 ARG 49 -6.836 32.705 -25.990 336 HD3 ARG 49 HD2 ARG 49 -5.722 31.694 -25.070 337 HE ARG 49 HE ARG 49 -7.805 30.124 -26.161 338 HH11 ARG 49 HH11 ARG 49 -4.908 31.833 -27.057 339 HH12 ARG 49 HH12 ARG 49 -4.569 30.812 -28.415 340 HH21 ARG 49 HH21 ARG 49 -7.370 28.773 -27.947 341 HH22 ARG 49 HH22 ARG 49 -5.971 29.072 -28.921 342 H PHE 50 HN PHE 50 -10.431 32.328 -20.879 343 HA PHE 50 HA PHE 50 -12.736 32.833 -22.614 344 HB2 PHE 50 HB1 PHE 50 -12.052 30.162 -21.373 345 HB3 PHE 50 HB2 PHE 50 -13.609 30.546 -22.100 346 HD1 PHE 50 HD1 PHE 50 -12.852 32.024 -24.492 347 HD2 PHE 50 HD2 PHE 50 -11.078 28.576 -22.738 348 HE1 PHE 50 HE1 PHE 50 -11.989 31.350 -26.696 349 HE2 PHE 50 HE2 PHE 50 -10.212 27.897 -24.938 350 HZ PHE 50 HZ PHE 50 -10.667 29.285 -26.921 351 H GLN 51 HN GLN 51 -14.825 32.265 -21.369 352 HA GLN 51 HA GLN 51 -14.703 32.440 -18.508 353 HB2 GLN 51 HB1 GLN 51 -15.184 34.858 -20.162 354 HB3 GLN 51 HB2 GLN 51 -16.222 34.637 -18.761 355 HG2 GLN 51 HG1 GLN 51 -13.776 34.154 -17.689 356 HG3 GLN 51 HG2 GLN 51 -13.391 35.359 -18.917 357 HE21 GLN 51 HE21 GLN 51 -15.578 36.342 -15.628 358 HE22 GLN 51 HE22 GLN 51 -15.290 34.693 -16.057 359 H SER 52 HN SER 52 -16.436 31.461 -17.683 360 HA SER 52 HA SER 52 -19.072 31.738 -18.624 361 HB2 SER 52 HB1 SER 52 -18.212 30.393 -20.520 362 HB3 SER 52 HB2 SER 52 -17.755 29.120 -19.389 363 HG SER 52 HG SER 52 -19.831 28.823 -20.424 364 H GLU 53 HN GLU 53 -20.491 29.860 -17.690 365 HA GLU 53 HA GLU 53 -19.826 29.692 -14.894 366 HB2 GLU 53 HB1 GLU 53 -22.042 28.625 -14.669 367 HB3 GLU 53 HB2 GLU 53 -22.119 30.154 -15.535 368 HG2 GLU 53 HG1 GLU 53 -23.453 28.896 -16.868 369 HG3 GLU 53 HG2 GLU 53 -21.898 28.582 -17.637 370 H ILE 54 HN ILE 54 -20.573 27.424 -13.877 371 HA ILE 54 HA ILE 54 -19.308 25.242 -15.374 372 HB ILE 54 HB ILE 54 -18.661 25.874 -12.492 373 HG12 ILE 54 HG11 ILE 54 -16.827 26.017 -14.890 374 HG13 ILE 54 HG12 ILE 54 -17.650 27.420 -14.216 375 HG21 ILE 54 HG21 ILE 54 -16.838 24.093 -13.089 376 HG22 ILE 54 HG22 ILE 54 -18.457 23.590 -12.606 377 HG23 ILE 54 HG23 ILE 54 -18.011 23.605 -14.312 378 HD11 ILE 54 HD11 ILE 54 -16.091 27.658 -12.668 379 HD12 ILE 54 HD12 ILE 54 -16.264 25.979 -12.155 380 HD13 ILE 54 HD13 ILE 54 -15.173 26.389 -13.479 381 H LYS 55 HN LYS 55 -21.470 24.493 -15.663 382 HA LYS 55 HA LYS 55 -23.295 23.990 -13.603 383 HB2 LYS 55 HB1 LYS 55 -23.412 23.797 -16.279 384 HB3 LYS 55 HB2 LYS 55 -23.217 22.094 -15.887 385 HG2 LYS 55 HG1 LYS 55 -25.432 22.069 -15.673 386 HG3 LYS 55 HG2 LYS 55 -25.161 22.879 -14.128 387 HD2 LYS 55 HD1 LYS 55 -25.248 24.601 -16.533 388 HD3 LYS 55 HD2 LYS 55 -26.771 23.858 -16.035 389 HE2 LYS 55 HE1 LYS 55 -25.142 25.104 -13.904 390 HE3 LYS 55 HE2 LYS 55 -25.882 26.200 -15.070 391 HZ1 LYS 55 HZ1 LYS 55 -27.092 24.764 -12.933 392 HZ2 LYS 55 HZ2 LYS 55 -27.860 24.418 -14.400 393 HZ3 LYS 55 HZ3 LYS 55 -27.725 26.020 -13.873 394 H ARG 56 HN ARG 56 -20.417 22.333 -14.524 395 HA ARG 56 HA ARG 56 -21.016 19.779 -13.462 396 HB2 ARG 56 HB1 ARG 56 -19.148 20.254 -15.038 397 HB3 ARG 56 HB2 ARG 56 -18.308 21.093 -13.741 398 HG2 ARG 56 HG1 ARG 56 -18.658 18.803 -12.489 399 HG3 ARG 56 HG2 ARG 56 -18.768 18.187 -14.139 400 HD2 ARG 56 HD1 ARG 56 -16.597 18.990 -14.672 401 HD3 ARG 56 HD2 ARG 56 -16.508 19.927 -13.181 402 HE ARG 56 HE ARG 56 -15.832 17.189 -13.510 403 HH11 ARG 56 HH11 ARG 56 -17.226 19.445 -11.255 404 HH12 ARG 56 HH12 ARG 56 -16.767 18.530 -9.856 405 HH21 ARG 56 HH21 ARG 56 -15.222 15.976 -11.677 406 HH22 ARG 56 HH22 ARG 56 -15.626 16.558 -10.098 407 H LEU 57 HN LEU 57 -20.122 22.781 -12.017 408 HA LEU 57 HA LEU 57 -19.694 21.435 -9.432 409 HB2 LEU 57 HB1 LEU 57 -18.590 23.923 -10.635 410 HB3 LEU 57 HB2 LEU 57 -18.801 23.859 -8.886 411 HG LEU 57 HG LEU 57 -16.546 23.282 -9.351 412 HD11 LEU 57 HD11 LEU 57 -17.902 20.634 -8.939 413 HD12 LEU 57 HD12 LEU 57 -17.869 21.885 -7.696 414 HD13 LEU 57 HD13 LEU 57 -16.360 21.194 -8.291 415 HD21 LEU 57 HD21 LEU 57 -16.571 22.741 -11.647 416 HD22 LEU 57 HD22 LEU 57 -17.710 21.417 -11.403 417 HD23 LEU 57 HD23 LEU 57 -16.053 21.275 -10.816 418 H LYS 58 HN LYS 58 -22.217 22.361 -10.894 419 HA LYS 58 HA LYS 58 -24.278 23.081 -10.235 420 HB2 LYS 58 HB1 LYS 58 -24.810 22.875 -8.047 421 HB3 LYS 58 HB2 LYS 58 -23.184 22.217 -7.913 422 HG2 LYS 58 HG1 LYS 58 -22.626 24.815 -7.601 423 HG3 LYS 58 HG2 LYS 58 -24.275 24.791 -6.971 424 HD2 LYS 58 HD1 LYS 58 -23.730 23.345 -5.243 425 HD3 LYS 58 HD2 LYS 58 -22.296 22.735 -6.071 426 HE2 LYS 58 HE1 LYS 58 -21.411 25.150 -5.815 427 HE3 LYS 58 HE2 LYS 58 -22.675 25.317 -4.598 428 HZ1 LYS 58 HZ1 LYS 58 -20.788 23.056 -4.485 429 HZ2 LYS 58 HZ2 LYS 58 -21.685 23.757 -3.234 430 HZ3 LYS 58 HZ3 LYS 58 -20.343 24.568 -3.871 431 H ILE 59 HN ILE 59 -21.993 24.865 -11.120 432 HA ILE 59 HA ILE 59 -22.970 27.429 -10.068 433 HB ILE 59 HB ILE 59 -20.523 27.081 -11.781 434 HG12 ILE 59 HG11 ILE 59 -20.693 26.927 -8.763 435 HG13 ILE 59 HG12 ILE 59 -20.275 25.601 -9.843 436 HG21 ILE 59 HG21 ILE 59 -21.576 29.341 -11.387 437 HG22 ILE 59 HG22 ILE 59 -21.124 29.159 -9.693 438 HG23 ILE 59 HG23 ILE 59 -19.877 29.196 -10.939 439 HD11 ILE 59 HD11 ILE 59 -18.289 26.892 -10.567 440 HD12 ILE 59 HD12 ILE 59 -18.686 28.105 -9.349 441 HD13 ILE 59 HD13 ILE 59 -18.278 26.461 -8.857 442 H SER 60 HN SER 60 -24.504 28.338 -11.258 443 HA SER 60 HA SER 60 -24.621 27.817 -14.130 444 HB2 SER 60 HB1 SER 60 -26.854 28.058 -13.940 445 HB3 SER 60 HB2 SER 60 -26.588 28.002 -12.198 446 HG SER 60 HG SER 60 -27.514 30.020 -13.660 447 H SER 61 HN SER 61 -23.778 30.296 -11.890 448 HA SER 61 HA SER 61 -24.055 32.491 -13.718 449 HB2 SER 61 HB1 SER 61 -23.318 32.120 -10.927 450 HB3 SER 61 HB2 SER 61 -22.274 33.292 -11.731 451 HG SER 61 HG SER 61 -23.894 34.636 -11.870 452 HA PRO 62 HA PRO 62 -20.251 32.234 -15.894 453 HB2 PRO 62 HB1 PRO 62 -19.710 34.864 -16.294 454 HB3 PRO 62 HB2 PRO 62 -20.996 34.007 -17.152 455 HG2 PRO 62 HG1 PRO 62 -21.181 35.796 -14.759 456 HG3 PRO 62 HG2 PRO 62 -22.228 35.727 -16.189 457 HD2 PRO 62 HD1 PRO 62 -22.904 34.580 -13.831 458 HD3 PRO 62 HD2 PRO 62 -23.401 33.908 -15.397 459 H VAL 63 HN VAL 63 -18.337 31.692 -15.076 460 HA VAL 63 HA VAL 63 -16.979 33.553 -13.263 461 HB VAL 63 HB VAL 63 -16.218 31.686 -11.838 462 HG11 VAL 63 HG11 VAL 63 -18.040 31.771 -10.457 463 HG12 VAL 63 HG12 VAL 63 -18.432 33.094 -11.557 464 HG13 VAL 63 HG13 VAL 63 -19.187 31.514 -11.771 465 HG21 VAL 63 HG21 VAL 63 -16.399 29.820 -13.306 466 HG22 VAL 63 HG22 VAL 63 -17.517 29.540 -11.971 467 HG23 VAL 63 HG23 VAL 63 -18.128 30.087 -13.533 468 H ARG 64 HN ARG 64 -14.657 32.505 -12.810 469 HA ARG 64 HA ARG 64 -13.373 32.446 -15.363 470 HB2 ARG 64 HB1 ARG 64 -12.012 31.741 -12.780 471 HB3 ARG 64 HB2 ARG 64 -11.347 32.552 -14.192 472 HG2 ARG 64 HG1 ARG 64 -13.350 33.723 -12.272 473 HG3 ARG 64 HG2 ARG 64 -11.624 34.086 -12.321 474 HD2 ARG 64 HD1 ARG 64 -11.921 34.893 -14.654 475 HD3 ARG 64 HD2 ARG 64 -13.658 34.651 -14.472 476 HE ARG 64 HE ARG 64 -12.982 36.257 -12.377 477 HH11 ARG 64 HH11 ARG 64 -12.570 36.430 -15.830 478 HH12 ARG 64 HH12 ARG 64 -12.626 38.161 -15.880 479 HH21 ARG 64 HH21 ARG 64 -13.058 38.536 -12.431 480 HH22 ARG 64 HH22 ARG 64 -12.902 39.358 -13.947 481 H VAL 65 HN VAL 65 -12.712 30.755 -16.540 482 HA VAL 65 HA VAL 65 -12.429 28.128 -15.308 483 HB VAL 65 HB VAL 65 -13.813 27.020 -17.000 484 HG11 VAL 65 HG11 VAL 65 -15.541 29.114 -15.732 485 HG12 VAL 65 HG12 VAL 65 -15.864 27.394 -15.965 486 HG13 VAL 65 HG13 VAL 65 -14.696 27.918 -14.751 487 HG21 VAL 65 HG21 VAL 65 -14.623 29.806 -17.828 488 HG22 VAL 65 HG22 VAL 65 -13.602 28.715 -18.765 489 HG23 VAL 65 HG23 VAL 65 -15.288 28.298 -18.454 490 H CYS 66 HN CYS 66 -10.878 26.902 -16.244 491 HA CYS 66 HA CYS 66 -9.176 28.140 -18.190 492 HB2 CYS 66 HB1 CYS 66 -7.825 26.063 -17.960 493 HB3 CYS 66 HB2 CYS 66 -8.177 26.831 -16.416 494 H GLN 67 HN GLN 67 -8.575 27.251 -20.233 495 HA GLN 67 HA GLN 67 -10.645 26.643 -21.937 496 HB2 GLN 67 HB1 GLN 67 -8.636 27.368 -22.922 497 HB3 GLN 67 HB2 GLN 67 -7.691 26.119 -22.122 498 HG2 GLN 67 HG1 GLN 67 -8.707 24.420 -23.524 499 HG3 GLN 67 HG2 GLN 67 -9.714 25.642 -24.299 500 HE21 GLN 67 HE21 GLN 67 -6.866 27.145 -25.969 501 HE22 GLN 67 HE22 GLN 67 -8.197 27.621 -24.977 502 H ASN 68 HN ASN 68 -8.524 24.413 -20.199 503 HA ASN 68 HA ASN 68 -9.299 22.021 -21.370 504 HB2 ASN 68 HB1 ASN 68 -7.783 22.815 -19.117 505 HB3 ASN 68 HB2 ASN 68 -8.955 21.632 -18.545 506 HD21 ASN 68 HD21 ASN 68 -5.702 20.229 -20.049 507 HD22 ASN 68 HD22 ASN 68 -5.951 21.684 -19.152 508 H CYS 69 HN CYS 69 -10.861 23.898 -18.831 509 HA CYS 69 HA CYS 69 -12.932 21.897 -18.464 510 HB2 CYS 69 HB1 CYS 69 -12.380 24.580 -17.206 511 HB3 CYS 69 HB2 CYS 69 -13.871 23.697 -16.898 512 H TYR 70 HN TYR 70 -12.788 25.308 -19.489 513 HA TYR 70 HA TYR 70 -15.395 25.750 -20.161 514 HB2 TYR 70 HB1 TYR 70 -13.677 27.478 -20.319 515 HB3 TYR 70 HB2 TYR 70 -12.953 26.659 -21.698 516 HD1 TYR 70 HD1 TYR 70 -15.608 28.865 -20.572 517 HD2 TYR 70 HD2 TYR 70 -14.138 26.617 -23.872 518 HE1 TYR 70 HE1 TYR 70 -17.058 30.151 -22.086 519 HE2 TYR 70 HE2 TYR 70 -15.583 27.898 -25.395 520 HH TYR 70 HH TYR 70 -17.237 30.738 -24.407 521 H TYR 71 HN TYR 71 -12.975 24.006 -22.040 522 HA TYR 71 HA TYR 71 -14.359 23.726 -24.436 523 HB2 TYR 71 HB1 TYR 71 -12.086 22.455 -23.137 524 HB3 TYR 71 HB2 TYR 71 -13.003 21.317 -24.118 525 HD1 TYR 71 HD1 TYR 71 -10.283 23.393 -24.208 526 HD2 TYR 71 HD2 TYR 71 -13.770 22.510 -26.481 527 HE1 TYR 71 HE1 TYR 71 -9.176 24.253 -26.230 528 HE2 TYR 71 HE2 TYR 71 -12.673 23.367 -28.508 529 HH TYR 71 HH TYR 71 -10.663 23.967 -29.401 530 H ASN 72 HN ASN 72 -14.409 21.650 -21.554 531 HA ASN 72 HA ASN 72 -16.379 19.882 -22.679 532 HB2 ASN 72 HB1 ASN 72 -14.803 18.941 -21.127 533 HB3 ASN 72 HB2 ASN 72 -15.217 20.136 -19.900 534 HD21 ASN 72 HD21 ASN 72 -17.918 18.377 -18.641 535 HD22 ASN 72 HD22 ASN 72 -16.935 19.796 -18.596 536 H LEU 73 HN LEU 73 -16.375 22.741 -20.711 537 HA LEU 73 HA LEU 73 -18.975 22.465 -19.612 538 HB2 LEU 73 HB1 LEU 73 -17.237 24.875 -20.096 539 HB3 LEU 73 HB2 LEU 73 -18.788 24.945 -19.261 540 HG LEU 73 HG LEU 73 -16.352 23.419 -18.340 541 HD11 LEU 73 HD11 LEU 73 -17.466 25.595 -16.715 542 HD12 LEU 73 HD12 LEU 73 -16.708 26.100 -18.225 543 HD13 LEU 73 HD13 LEU 73 -15.788 25.164 -17.047 544 HD21 LEU 73 HD21 LEU 73 -18.279 23.798 -16.300 545 HD22 LEU 73 HD22 LEU 73 -17.710 22.284 -17.005 546 HD23 LEU 73 HD23 LEU 73 -19.106 23.111 -17.698 547 H GLN 74 HN GLN 74 -17.724 24.073 -22.507 548 HA GLN 74 HA GLN 74 -20.316 25.037 -23.295 549 HB2 GLN 74 HB1 GLN 74 -19.184 25.796 -25.329 550 HB3 GLN 74 HB2 GLN 74 -18.295 26.279 -23.891 551 HG2 GLN 74 HG1 GLN 74 -16.475 25.267 -24.623 552 HG3 GLN 74 HG2 GLN 74 -17.340 23.739 -24.774 553 HE21 GLN 74 HE21 GLN 74 -17.162 26.199 -28.049 554 HE22 GLN 74 HE22 GLN 74 -17.263 26.866 -26.459 555 H HIS 75 HN HIS 75 -18.436 22.182 -23.803 556 HA HIS 75 HA HIS 75 -20.214 21.300 -25.963 557 HB2 HIS 75 HB1 HIS 75 -17.587 21.143 -25.980 558 HB3 HIS 75 HB2 HIS 75 -17.871 19.694 -25.019 559 HD1 HIS 75 HD1 HIS 75 -19.399 21.076 -28.231 560 HD2 HIS 75 HD2 HIS 75 -17.887 17.547 -26.642 561 HE1 HIS 75 HE1 HIS 75 -19.620 19.365 -30.061 562 H GLU 76 HN GLU 76 -20.575 21.388 -22.867 563 HA GLU 76 HA GLU 76 -20.859 18.688 -22.040 564 HB2 GLU 76 HB1 GLU 76 -21.881 19.546 -20.079 565 HB3 GLU 76 HB2 GLU 76 -20.647 20.711 -20.536 566 HG2 GLU 76 HG1 GLU 76 -22.549 21.951 -21.732 567 HG3 GLU 76 HG2 GLU 76 -23.621 20.940 -20.764 568 H ARG 77 HN ARG 77 -22.928 20.935 -23.718 569 HA ARG 77 HA ARG 77 -25.342 19.439 -23.340 570 HB2 ARG 77 HB1 ARG 77 -24.654 21.604 -25.336 571 HB3 ARG 77 HB2 ARG 77 -26.267 20.956 -25.067 572 HG2 ARG 77 HG1 ARG 77 -26.501 22.002 -23.040 573 HG3 ARG 77 HG2 ARG 77 -24.761 22.085 -22.760 574 HD2 ARG 77 HD1 ARG 77 -25.622 24.297 -23.216 575 HD3 ARG 77 HD2 ARG 77 -24.583 23.777 -24.542 576 HE ARG 77 HE ARG 77 -27.337 23.187 -25.021 577 HH11 ARG 77 HH11 ARG 77 -24.933 25.702 -25.143 578 HH12 ARG 77 HH12 ARG 77 -25.750 26.603 -26.376 579 HH21 ARG 77 HH21 ARG 77 -28.422 24.364 -26.645 580 HH22 ARG 77 HH22 ARG 77 -27.735 25.842 -27.229 581 H GLY 78 HN GLY 78 -22.706 19.377 -25.593 582 HA2 GLY 78 HA2 GLY 78 -24.108 17.923 -27.640 583 HA3 GLY 78 HA1 GLY 78 -22.375 18.205 -27.560 Start of MODEL 11 1 H1 SER 1 HN SER 1 -8.726 6.339 -3.345 2 HA SER 1 HA SER 1 -11.195 6.298 -4.783 3 HB2 SER 1 HB1 SER 1 -9.159 8.107 -6.038 4 HB3 SER 1 HB2 SER 1 -10.897 8.014 -6.325 5 HG SER 1 HG SER 1 -11.257 9.289 -4.661 6 H ASN 2 HN ASN 2 -10.354 4.092 -4.763 7 HA ASN 2 HA ASN 2 -9.412 2.291 -5.782 8 HB2 ASN 2 HB1 ASN 2 -8.684 4.047 -8.114 9 HB3 ASN 2 HB2 ASN 2 -9.159 2.351 -8.117 10 HD21 ASN 2 HD21 ASN 2 -11.883 5.244 -8.553 11 HD22 ASN 2 HD22 ASN 2 -10.180 5.532 -8.494 12 H ALA 3 HN ALA 3 -7.246 1.857 -7.338 13 HA ALA 3 HA ALA 3 -5.037 3.082 -5.816 14 HB1 ALA 3 HB1 ALA 3 -4.178 0.606 -6.850 15 HB2 ALA 3 HB2 ALA 3 -4.454 1.044 -5.164 16 HB3 ALA 3 HB3 ALA 3 -5.758 0.335 -6.115 17 H GLY 4 HN GLY 4 -2.870 2.315 -7.148 18 HA2 GLY 4 HA2 GLY 4 -2.667 2.143 -9.831 19 HA3 GLY 4 HA1 GLY 4 -3.071 3.838 -9.603 20 H ARG 5 HN ARG 5 -0.761 3.377 -10.822 21 HA ARG 5 HA ARG 5 1.259 3.879 -8.737 22 HB2 ARG 5 HB1 ARG 5 1.230 1.868 -10.774 23 HB3 ARG 5 HB2 ARG 5 2.547 2.987 -11.100 24 HG2 ARG 5 HG1 ARG 5 2.088 1.531 -8.505 25 HG3 ARG 5 HG2 ARG 5 3.271 1.096 -9.739 26 HD2 ARG 5 HD1 ARG 5 4.401 3.231 -9.426 27 HD3 ARG 5 HD2 ARG 5 3.199 3.704 -8.226 28 HE ARG 5 HE ARG 5 4.271 1.326 -7.334 29 HH11 ARG 5 HH11 ARG 5 5.439 4.520 -8.079 30 HH12 ARG 5 HH12 ARG 5 6.727 4.461 -6.921 31 HH21 ARG 5 HH21 ARG 5 5.963 1.236 -5.807 32 HH22 ARG 5 HH22 ARG 5 7.025 2.592 -5.630 33 H SER 6 HN SER 6 2.961 5.341 -9.300 34 HA SER 6 HA SER 6 2.485 7.013 -11.659 35 HB2 SER 6 HB1 SER 6 1.774 7.793 -9.047 36 HB3 SER 6 HB2 SER 6 3.253 8.675 -9.428 37 HG SER 6 HG SER 6 1.167 8.553 -11.308 38 H ALA 7 HN ALA 7 4.362 8.926 -11.310 39 HA ALA 7 HA ALA 7 6.788 7.485 -11.798 40 HB1 ALA 7 HB1 ALA 7 7.680 9.489 -12.540 41 HB2 ALA 7 HB2 ALA 7 5.960 9.686 -12.878 42 HB3 ALA 7 HB3 ALA 7 6.674 10.455 -11.461 43 H ALA 8 HN ALA 8 5.371 9.083 -9.077 44 HA ALA 8 HA ALA 8 6.020 9.289 -6.904 45 HB1 ALA 8 HB1 ALA 8 7.507 7.694 -5.985 46 HB2 ALA 8 HB2 ALA 8 6.640 6.874 -7.284 47 HB3 ALA 8 HB3 ALA 8 8.295 7.426 -7.540 48 H ASP 9 HN ASP 9 7.173 10.973 -9.085 49 HA ASP 9 HA ASP 9 9.074 12.379 -7.453 50 HB2 ASP 9 HB1 ASP 9 10.998 12.182 -8.767 51 HB3 ASP 9 HB2 ASP 9 10.365 10.538 -8.735 52 H HIS 10 HN HIS 10 6.471 12.729 -8.864 53 HA HIS 10 HA HIS 10 6.856 15.400 -9.717 54 HB2 HIS 10 HB1 HIS 10 7.629 13.851 -11.706 55 HB3 HIS 10 HB2 HIS 10 5.897 13.707 -11.989 56 HD1 HIS 10 HD1 HIS 10 5.275 15.241 -13.814 57 HD2 HIS 10 HD2 HIS 10 8.110 16.929 -11.289 58 HE1 HIS 10 HE1 HIS 10 5.656 17.567 -14.691 59 H TRP 11 HN TRP 11 5.210 15.611 -8.140 60 HA TRP 11 HA TRP 11 2.534 14.931 -9.161 61 HB2 TRP 11 HB1 TRP 11 3.573 13.688 -7.007 62 HB3 TRP 11 HB2 TRP 11 2.878 15.102 -6.220 63 HD1 TRP 11 HD1 TRP 11 0.139 15.518 -7.060 64 HE1 TRP 11 HE1 TRP 11 -1.704 13.721 -7.129 65 HE3 TRP 11 HE3 TRP 11 3.083 11.340 -7.204 66 HZ2 TRP 11 HZ2 TRP 11 -1.885 10.906 -7.230 67 HZ3 TRP 11 HZ3 TRP 11 1.996 9.134 -7.284 68 HH2 TRP 11 HH2 TRP 11 -0.436 8.924 -7.297 69 H VAL 12 HN VAL 12 4.162 17.381 -9.355 70 HA VAL 12 HA VAL 12 2.147 19.274 -8.823 71 HB VAL 12 HB VAL 12 3.043 18.836 -6.477 72 HG11 VAL 12 HG11 VAL 12 5.366 20.467 -7.494 73 HG12 VAL 12 HG12 VAL 12 5.119 19.884 -5.847 74 HG13 VAL 12 HG13 VAL 12 5.425 18.738 -7.153 75 HG21 VAL 12 HG21 VAL 12 2.317 20.885 -5.910 76 HG22 VAL 12 HG22 VAL 12 3.493 21.698 -6.942 77 HG23 VAL 12 HG23 VAL 12 2.002 21.064 -7.636 78 H LYS 13 HN LYS 13 2.807 21.480 -9.371 79 HA LYS 13 HA LYS 13 5.397 22.033 -10.403 80 HB2 LYS 13 HB1 LYS 13 4.372 20.489 -12.159 81 HB3 LYS 13 HB2 LYS 13 3.252 21.799 -12.509 82 HG2 LYS 13 HG1 LYS 13 5.638 23.091 -12.632 83 HG3 LYS 13 HG2 LYS 13 6.073 21.486 -13.225 84 HD2 LYS 13 HD1 LYS 13 4.325 21.603 -14.904 85 HD3 LYS 13 HD2 LYS 13 3.796 23.166 -14.277 86 HE2 LYS 13 HE1 LYS 13 5.830 24.208 -14.951 87 HE3 LYS 13 HE2 LYS 13 6.569 22.654 -15.336 88 HZ1 LYS 13 HZ1 LYS 13 5.370 24.263 -17.123 89 HZ2 LYS 13 HZ2 LYS 13 4.114 23.192 -16.755 90 HZ3 LYS 13 HZ3 LYS 13 5.590 22.599 -17.331 91 H ASP 14 HN ASP 14 3.319 23.174 -8.679 92 HA ASP 14 HA ASP 14 3.593 25.877 -9.378 93 HB2 ASP 14 HB1 ASP 14 1.751 24.872 -11.012 94 HB3 ASP 14 HB2 ASP 14 0.711 25.148 -9.617 95 H GLU 15 HN GLU 15 3.959 26.482 -7.337 96 HA GLU 15 HA GLU 15 2.962 25.372 -5.020 97 HB2 GLU 15 HB1 GLU 15 3.412 27.702 -4.020 98 HB3 GLU 15 HB2 GLU 15 4.761 26.838 -4.745 99 HG2 GLU 15 HG1 GLU 15 4.895 28.260 -6.533 100 HG3 GLU 15 HG2 GLU 15 3.199 28.727 -6.429 101 H GLY 16 HN GLY 16 1.550 27.888 -7.045 102 HA2 GLY 16 HA2 GLY 16 -0.692 28.465 -7.229 103 HA3 GLY 16 HA1 GLY 16 -1.052 27.375 -5.898 104 H GLY 17 HN GLY 17 -0.309 30.621 -6.826 105 HA2 GLY 17 HA2 GLY 17 -1.354 31.634 -4.357 106 HA3 GLY 17 HA1 GLY 17 0.385 31.858 -4.479 107 H ASP 18 HN ASP 18 0.934 32.646 -6.901 108 HA ASP 18 HA ASP 18 -0.968 34.596 -7.875 109 HB2 ASP 18 HB1 ASP 18 1.717 35.535 -6.845 110 HB3 ASP 18 HB2 ASP 18 0.450 36.532 -7.556 111 H SER 19 HN SER 19 0.057 32.344 -9.107 112 HA SER 19 HA SER 19 1.340 33.542 -11.409 113 HB2 SER 19 HB1 SER 19 2.756 31.087 -10.766 114 HB3 SER 19 HB2 SER 19 3.400 32.678 -11.173 115 HG SER 19 HG SER 19 4.028 32.236 -9.098 116 H CYS 20 HN CYS 20 0.914 32.463 -13.299 117 HA CYS 20 HA CYS 20 -1.343 30.899 -13.509 118 HB2 CYS 20 HB1 CYS 20 -0.186 32.104 -15.381 119 HB3 CYS 20 HB2 CYS 20 1.001 30.804 -15.416 120 H SER 21 HN SER 21 -1.674 28.672 -14.014 121 HA SER 21 HA SER 21 0.215 26.932 -12.612 122 HB2 SER 21 HB1 SER 21 -2.559 27.088 -12.576 123 HB3 SER 21 HB2 SER 21 -2.232 25.659 -13.557 124 HG SER 21 HG SER 21 -2.173 25.828 -10.948 125 H GLY 22 HN GLY 22 -1.150 27.523 -15.767 126 HA2 GLY 22 HA2 GLY 22 0.127 25.112 -16.843 127 HA3 GLY 22 HA1 GLY 22 -1.028 26.132 -17.688 128 H CYS 23 HN CYS 23 0.931 28.295 -16.314 129 HA CYS 23 HA CYS 23 2.949 28.195 -18.452 130 HB2 CYS 23 HB1 CYS 23 1.303 30.585 -17.607 131 HB3 CYS 23 HB2 CYS 23 2.736 30.694 -18.624 132 H SER 24 HN SER 24 2.082 28.988 -15.197 133 HA SER 24 HA SER 24 3.353 29.329 -13.335 134 HB2 SER 24 HB1 SER 24 5.946 29.152 -14.777 135 HB3 SER 24 HB2 SER 24 5.451 28.417 -13.253 136 HG SER 24 HG SER 24 4.578 26.759 -14.310 137 H VAL 25 HN VAL 25 2.964 31.340 -15.731 138 HA VAL 25 HA VAL 25 5.014 33.293 -15.311 139 HB VAL 25 HB VAL 25 3.932 33.286 -17.443 140 HG11 VAL 25 HG11 VAL 25 1.830 32.498 -17.437 141 HG12 VAL 25 HG12 VAL 25 1.497 33.116 -15.817 142 HG13 VAL 25 HG13 VAL 25 1.376 34.187 -17.214 143 HG21 VAL 25 HG21 VAL 25 2.654 35.696 -17.037 144 HG22 VAL 25 HG22 VAL 25 3.800 35.611 -15.700 145 HG23 VAL 25 HG23 VAL 25 4.373 35.474 -17.362 146 H ARG 26 HN ARG 26 5.185 34.576 -13.607 147 HA ARG 26 HA ARG 26 3.282 34.770 -11.562 148 HB2 ARG 26 HB1 ARG 26 5.386 36.856 -12.114 149 HB3 ARG 26 HB2 ARG 26 4.708 36.382 -10.562 150 HG2 ARG 26 HG1 ARG 26 6.563 34.774 -12.302 151 HG3 ARG 26 HG2 ARG 26 6.924 35.504 -10.736 152 HD2 ARG 26 HD1 ARG 26 4.678 33.928 -10.281 153 HD3 ARG 26 HD2 ARG 26 5.690 32.961 -11.353 154 HE ARG 26 HE ARG 26 6.191 33.574 -8.609 155 HH11 ARG 26 HH11 ARG 26 7.715 32.892 -11.664 156 HH12 ARG 26 HH12 ARG 26 9.168 32.277 -10.950 157 HH21 ARG 26 HH21 ARG 26 8.100 32.766 -7.657 158 HH22 ARG 26 HH22 ARG 26 9.386 32.205 -8.671 159 H PHE 27 HN PHE 27 1.355 35.700 -11.659 160 HA PHE 27 HA PHE 27 0.424 37.386 -13.644 161 HB2 PHE 27 HB1 PHE 27 -0.536 37.266 -10.777 162 HB3 PHE 27 HB2 PHE 27 -1.449 37.887 -12.149 163 HD1 PHE 27 HD1 PHE 27 -1.096 35.172 -10.058 164 HD2 PHE 27 HD2 PHE 27 -1.535 36.112 -14.186 165 HE1 PHE 27 HE1 PHE 27 -1.995 32.920 -10.471 166 HE2 PHE 27 HE2 PHE 27 -2.435 33.861 -14.606 167 HZ PHE 27 HZ PHE 27 -2.667 32.262 -12.747 168 H SER 28 HN SER 28 0.445 39.531 -14.017 169 HA SER 28 HA SER 28 1.236 41.395 -11.939 170 HB2 SER 28 HB1 SER 28 2.859 41.139 -14.483 171 HB3 SER 28 HB2 SER 28 3.095 42.345 -13.218 172 HG SER 28 HG SER 28 3.381 40.424 -11.798 173 H LEU 29 HN LEU 29 1.655 43.646 -13.366 174 HA LEU 29 HA LEU 29 -0.919 44.451 -14.104 175 HB2 LEU 29 HB1 LEU 29 1.591 45.790 -15.064 176 HB3 LEU 29 HB2 LEU 29 0.029 46.523 -14.704 177 HG LEU 29 HG LEU 29 0.760 45.481 -12.276 178 HD11 LEU 29 HD11 LEU 29 3.248 46.794 -13.287 179 HD12 LEU 29 HD12 LEU 29 3.024 45.053 -13.460 180 HD13 LEU 29 HD13 LEU 29 3.012 45.788 -11.857 181 HD21 LEU 29 HD21 LEU 29 1.010 48.192 -13.523 182 HD22 LEU 29 HD22 LEU 29 1.493 47.918 -11.849 183 HD23 LEU 29 HD23 LEU 29 -0.170 47.608 -12.350 184 H THR 30 HN THR 30 1.494 42.802 -15.886 185 HA THR 30 HA THR 30 0.208 43.450 -18.443 186 HB THR 30 HB THR 30 2.133 42.580 -19.551 187 HG1 THR 30 HG1 THR 30 3.078 40.933 -18.625 188 HG21 THR 30 HG21 THR 30 2.357 44.834 -18.510 189 HG22 THR 30 HG22 THR 30 3.896 43.998 -18.721 190 HG23 THR 30 HG23 THR 30 3.143 44.072 -17.128 191 H GLU 31 HN GLU 31 0.562 40.943 -16.107 192 HA GLU 31 HA GLU 31 -0.797 39.062 -17.926 193 HB2 GLU 31 HB1 GLU 31 1.500 38.358 -17.273 194 HB3 GLU 31 HB2 GLU 31 0.990 38.365 -15.590 195 HG2 GLU 31 HG1 GLU 31 -0.900 36.775 -16.748 196 HG3 GLU 31 HG2 GLU 31 0.542 36.382 -17.683 197 H ARG 32 HN ARG 32 -2.886 39.016 -17.423 198 HA ARG 32 HA ARG 32 -3.882 39.681 -14.830 199 HB2 ARG 32 HB1 ARG 32 -5.021 38.960 -17.457 200 HB3 ARG 32 HB2 ARG 32 -6.006 38.527 -16.066 201 HG2 ARG 32 HG1 ARG 32 -5.453 41.026 -15.373 202 HG3 ARG 32 HG2 ARG 32 -5.277 41.195 -17.121 203 HD2 ARG 32 HD1 ARG 32 -7.482 41.104 -17.439 204 HD3 ARG 32 HD2 ARG 32 -7.641 39.679 -16.413 205 HE ARG 32 HE ARG 32 -8.345 41.038 -14.721 206 HH11 ARG 32 HH11 ARG 32 -6.687 42.973 -17.094 207 HH12 ARG 32 HH12 ARG 32 -7.075 44.478 -16.328 208 HH21 ARG 32 HH21 ARG 32 -8.862 43.013 -13.704 209 HH22 ARG 32 HH22 ARG 32 -8.311 44.499 -14.399 210 H ARG 33 HN ARG 33 -5.271 38.263 -13.538 211 HA ARG 33 HA ARG 33 -4.377 35.457 -13.648 212 HB2 ARG 33 HB1 ARG 33 -4.378 35.373 -11.253 213 HB3 ARG 33 HB2 ARG 33 -3.436 36.775 -11.741 214 HG2 ARG 33 HG1 ARG 33 -4.913 38.249 -10.861 215 HG3 ARG 33 HG2 ARG 33 -6.307 37.219 -11.193 216 HD2 ARG 33 HD1 ARG 33 -5.856 35.852 -9.309 217 HD3 ARG 33 HD2 ARG 33 -4.263 36.573 -9.083 218 HE ARG 33 HE ARG 33 -6.415 38.460 -8.867 219 HH11 ARG 33 HH11 ARG 33 -4.504 36.100 -7.165 220 HH12 ARG 33 HH12 ARG 33 -4.786 36.803 -5.607 221 HH21 ARG 33 HH21 ARG 33 -6.794 39.395 -6.821 222 HH22 ARG 33 HH22 ARG 33 -6.089 38.677 -5.412 223 H HIS 34 HN HIS 34 -5.875 33.851 -13.073 224 HA HIS 34 HA HIS 34 -8.622 34.621 -12.527 225 HB2 HIS 34 HB1 HIS 34 -8.030 32.889 -14.927 226 HB3 HIS 34 HB2 HIS 34 -9.584 33.554 -14.434 227 HD1 HIS 34 HD1 HIS 34 -10.007 36.072 -14.937 228 HD2 HIS 34 HD2 HIS 34 -6.399 34.608 -16.387 229 HE1 HIS 34 HE1 HIS 34 -9.174 37.814 -16.548 230 H HIS 35 HN HIS 35 -9.355 33.307 -11.004 231 HA HIS 35 HA HIS 35 -8.041 30.734 -10.581 232 HB2 HIS 35 HB1 HIS 35 -8.293 32.246 -8.656 233 HB3 HIS 35 HB2 HIS 35 -10.042 32.212 -8.859 234 HD1 HIS 35 HD1 HIS 35 -11.248 30.475 -7.560 235 HD2 HIS 35 HD2 HIS 35 -7.216 29.573 -8.003 236 HE1 HIS 35 HE1 HIS 35 -10.864 28.413 -6.173 237 H CYS 36 HN CYS 36 -8.872 29.065 -11.650 238 HA CYS 36 HA CYS 36 -11.480 28.974 -12.717 239 HB2 CYS 36 HB1 CYS 36 -9.500 27.665 -13.544 240 HB3 CYS 36 HB2 CYS 36 -9.679 26.615 -12.142 241 H ARG 37 HN ARG 37 -13.358 28.548 -11.775 242 HA ARG 37 HA ARG 37 -13.440 27.694 -9.019 243 HB2 ARG 37 HB1 ARG 37 -15.907 27.972 -10.679 244 HB3 ARG 37 HB2 ARG 37 -15.635 28.406 -8.996 245 HG2 ARG 37 HG1 ARG 37 -14.612 29.891 -11.407 246 HG3 ARG 37 HG2 ARG 37 -15.933 30.388 -10.347 247 HD2 ARG 37 HD1 ARG 37 -13.329 29.815 -9.064 248 HD3 ARG 37 HD2 ARG 37 -13.418 31.263 -10.065 249 HE ARG 37 HE ARG 37 -14.884 32.211 -8.538 250 HH11 ARG 37 HH11 ARG 37 -14.192 28.903 -7.703 251 HH12 ARG 37 HH12 ARG 37 -14.870 29.025 -6.113 252 HH21 ARG 37 HH21 ARG 37 -15.779 32.385 -6.447 253 HH22 ARG 37 HH22 ARG 37 -15.774 31.006 -5.400 254 H ASN 38 HN ASN 38 -13.014 26.024 -11.756 255 HA ASN 38 HA ASN 38 -14.860 23.845 -11.157 256 HB2 ASN 38 HB1 ASN 38 -14.316 24.713 -13.527 257 HB3 ASN 38 HB2 ASN 38 -12.799 23.835 -13.351 258 HD21 ASN 38 HD21 ASN 38 -14.364 20.624 -13.354 259 HD22 ASN 38 HD22 ASN 38 -13.099 21.518 -12.589 260 H CYS 39 HN CYS 39 -11.389 24.510 -11.275 261 HA CYS 39 HA CYS 39 -10.926 21.975 -9.845 262 HB2 CYS 39 HB1 CYS 39 -8.470 22.530 -10.742 263 HB3 CYS 39 HB2 CYS 39 -9.640 21.629 -11.702 264 H GLY 40 HN GLY 40 -10.187 25.408 -10.010 265 HA2 GLY 40 HA2 GLY 40 -9.915 26.710 -8.027 266 HA3 GLY 40 HA1 GLY 40 -9.318 25.275 -7.206 267 H GLN 41 HN GLN 41 -8.161 26.020 -10.385 268 HA GLN 41 HA GLN 41 -5.548 26.691 -9.219 269 HB2 GLN 41 HB1 GLN 41 -6.060 25.779 -12.046 270 HB3 GLN 41 HB2 GLN 41 -4.527 25.819 -11.185 271 HG2 GLN 41 HG1 GLN 41 -6.101 24.190 -9.616 272 HG3 GLN 41 HG2 GLN 41 -6.570 23.763 -11.261 273 HE21 GLN 41 HE21 GLN 41 -3.859 21.666 -11.569 274 HE22 GLN 41 HE22 GLN 41 -5.535 21.993 -11.827 275 H LEU 42 HN LEU 42 -4.311 28.391 -10.088 276 HA LEU 42 HA LEU 42 -5.932 30.521 -11.252 277 HB2 LEU 42 HB1 LEU 42 -3.623 30.367 -9.498 278 HB3 LEU 42 HB2 LEU 42 -3.396 31.533 -10.800 279 HG LEU 42 HG LEU 42 -5.798 31.567 -8.986 280 HD11 LEU 42 HD11 LEU 42 -4.321 33.646 -8.135 281 HD12 LEU 42 HD12 LEU 42 -3.041 32.492 -8.508 282 HD13 LEU 42 HD13 LEU 42 -4.312 32.060 -7.365 283 HD21 LEU 42 HD21 LEU 42 -6.474 33.118 -10.424 284 HD22 LEU 42 HD22 LEU 42 -4.946 33.048 -11.302 285 HD23 LEU 42 HD23 LEU 42 -5.115 34.116 -9.908 286 H PHE 43 HN PHE 43 -5.758 31.164 -13.300 287 HA PHE 43 HA PHE 43 -3.376 30.366 -14.830 288 HB2 PHE 43 HB1 PHE 43 -6.244 30.217 -15.782 289 HB3 PHE 43 HB2 PHE 43 -4.826 29.906 -16.778 290 HD1 PHE 43 HD1 PHE 43 -3.263 28.014 -16.025 291 HD2 PHE 43 HD2 PHE 43 -7.246 28.495 -14.601 292 HE1 PHE 43 HE1 PHE 43 -3.301 25.651 -15.342 293 HE2 PHE 43 HE2 PHE 43 -7.289 26.132 -13.915 294 HZ PHE 43 HZ PHE 43 -5.315 24.707 -14.285 295 H CYS 44 HN CYS 44 -3.197 31.612 -16.917 296 HA CYS 44 HA CYS 44 -3.727 34.428 -16.350 297 HB2 CYS 44 HB1 CYS 44 -2.084 34.890 -18.110 298 HB3 CYS 44 HB2 CYS 44 -1.424 33.786 -16.907 299 H GLN 45 HN GLN 45 -4.399 35.849 -18.132 300 HA GLN 45 HA GLN 45 -6.811 35.050 -19.272 301 HB2 GLN 45 HB1 GLN 45 -6.836 37.140 -20.398 302 HB3 GLN 45 HB2 GLN 45 -6.011 37.414 -18.869 303 HG2 GLN 45 HG1 GLN 45 -3.856 37.306 -20.006 304 HG3 GLN 45 HG2 GLN 45 -4.678 37.021 -21.540 305 HE21 GLN 45 HE21 GLN 45 -4.223 40.475 -21.956 306 HE22 GLN 45 HE22 GLN 45 -3.621 38.901 -22.335 307 H LYS 46 HN LYS 46 -3.594 34.521 -20.327 308 HA LYS 46 HA LYS 46 -4.345 34.016 -23.088 309 HB2 LYS 46 HB1 LYS 46 -1.913 34.589 -21.685 310 HB3 LYS 46 HB2 LYS 46 -1.721 33.078 -22.565 311 HG2 LYS 46 HG1 LYS 46 -1.002 35.025 -23.869 312 HG3 LYS 46 HG2 LYS 46 -2.336 34.159 -24.635 313 HD2 LYS 46 HD1 LYS 46 -3.345 36.194 -22.868 314 HD3 LYS 46 HD2 LYS 46 -2.200 36.891 -24.016 315 HE2 LYS 46 HE1 LYS 46 -4.261 34.999 -25.032 316 HE3 LYS 46 HE2 LYS 46 -4.762 36.633 -24.600 317 HZ1 LYS 46 HZ1 LYS 46 -4.031 37.276 -26.574 318 HZ2 LYS 46 HZ2 LYS 46 -3.387 35.748 -26.908 319 HZ3 LYS 46 HZ3 LYS 46 -2.453 36.900 -26.096 320 H CYS 47 HN CYS 47 -4.151 32.308 -20.153 321 HA CYS 47 HA CYS 47 -3.700 29.715 -21.362 322 HB2 CYS 47 HB1 CYS 47 -3.557 30.814 -18.728 323 HB3 CYS 47 HB2 CYS 47 -4.682 29.459 -18.703 324 H SER 48 HN SER 48 -6.372 31.361 -19.685 325 HA SER 48 HA SER 48 -8.214 29.267 -20.542 326 HB2 SER 48 HB1 SER 48 -8.945 29.728 -18.450 327 HB3 SER 48 HB2 SER 48 -8.185 31.319 -18.433 328 HG SER 48 HG SER 48 -10.326 31.733 -18.450 329 H ARG 49 HN ARG 49 -7.673 32.738 -20.945 330 HA ARG 49 HA ARG 49 -8.759 34.281 -22.275 331 HB2 ARG 49 HB1 ARG 49 -8.591 33.602 -24.708 332 HB3 ARG 49 HB2 ARG 49 -7.096 33.520 -23.785 333 HG2 ARG 49 HG1 ARG 49 -7.470 31.082 -23.501 334 HG3 ARG 49 HG2 ARG 49 -8.868 31.218 -24.570 335 HD2 ARG 49 HD1 ARG 49 -6.916 32.463 -26.019 336 HD3 ARG 49 HD2 ARG 49 -6.007 31.197 -25.195 337 HE ARG 49 HE ARG 49 -8.023 30.851 -27.241 338 HH11 ARG 49 HH11 ARG 49 -6.150 29.364 -24.712 339 HH12 ARG 49 HH12 ARG 49 -6.339 27.759 -25.336 340 HH21 ARG 49 HH21 ARG 49 -8.280 28.742 -28.073 341 HH22 ARG 49 HH22 ARG 49 -7.551 27.407 -27.248 342 H PHE 50 HN PHE 50 -10.568 32.335 -20.983 343 HA PHE 50 HA PHE 50 -12.849 32.731 -22.775 344 HB2 PHE 50 HB1 PHE 50 -12.115 30.116 -21.449 345 HB3 PHE 50 HB2 PHE 50 -13.695 30.444 -22.153 346 HD1 PHE 50 HD1 PHE 50 -11.121 28.518 -22.782 347 HD2 PHE 50 HD2 PHE 50 -13.035 31.853 -24.609 348 HE1 PHE 50 HE1 PHE 50 -10.287 27.789 -24.979 349 HE2 PHE 50 HE2 PHE 50 -12.204 31.128 -26.808 350 HZ PHE 50 HZ PHE 50 -10.829 29.094 -26.996 351 H GLN 51 HN GLN 51 -14.946 32.133 -21.526 352 HA GLN 51 HA GLN 51 -14.851 32.461 -18.674 353 HB2 GLN 51 HB1 GLN 51 -15.409 34.760 -20.461 354 HB3 GLN 51 HB2 GLN 51 -16.478 34.567 -19.078 355 HG2 GLN 51 HG1 GLN 51 -13.860 34.232 -18.115 356 HG3 GLN 51 HG2 GLN 51 -13.832 35.633 -19.184 357 HE21 GLN 51 HE21 GLN 51 -15.070 37.675 -16.708 358 HE22 GLN 51 HE22 GLN 51 -14.010 37.417 -18.048 359 H SER 52 HN SER 52 -16.536 31.438 -17.807 360 HA SER 52 HA SER 52 -19.177 31.540 -18.781 361 HB2 SER 52 HB1 SER 52 -17.528 29.685 -20.154 362 HB3 SER 52 HB2 SER 52 -18.609 28.749 -19.121 363 HG SER 52 HG SER 52 -19.362 30.725 -21.016 364 H GLU 53 HN GLU 53 -20.565 29.788 -17.695 365 HA GLU 53 HA GLU 53 -19.833 29.741 -14.908 366 HB2 GLU 53 HB1 GLU 53 -22.090 28.599 -14.676 367 HB3 GLU 53 HB2 GLU 53 -22.106 30.234 -15.321 368 HG2 GLU 53 HG1 GLU 53 -21.874 28.418 -17.493 369 HG3 GLU 53 HG2 GLU 53 -23.190 27.882 -16.450 370 H ILE 54 HN ILE 54 -20.563 27.570 -13.740 371 HA ILE 54 HA ILE 54 -19.441 25.269 -15.175 372 HB ILE 54 HB ILE 54 -18.671 25.980 -12.343 373 HG12 ILE 54 HG11 ILE 54 -16.912 26.079 -14.796 374 HG13 ILE 54 HG12 ILE 54 -17.729 27.496 -14.145 375 HG21 ILE 54 HG21 ILE 54 -17.507 23.885 -14.166 376 HG22 ILE 54 HG22 ILE 54 -17.173 24.129 -12.452 377 HG23 ILE 54 HG23 ILE 54 -18.759 23.556 -12.968 378 HD11 ILE 54 HD11 ILE 54 -16.124 27.793 -12.656 379 HD12 ILE 54 HD12 ILE 54 -16.294 26.139 -12.067 380 HD13 ILE 54 HD13 ILE 54 -15.230 26.485 -13.429 381 H LYS 55 HN LYS 55 -21.646 24.592 -15.336 382 HA LYS 55 HA LYS 55 -23.435 24.272 -13.241 383 HB2 LYS 55 HB1 LYS 55 -23.555 23.793 -15.881 384 HB3 LYS 55 HB2 LYS 55 -23.375 22.140 -15.307 385 HG2 LYS 55 HG1 LYS 55 -25.595 22.168 -15.112 386 HG3 LYS 55 HG2 LYS 55 -25.311 23.107 -13.644 387 HD2 LYS 55 HD1 LYS 55 -25.555 24.428 -16.329 388 HD3 LYS 55 HD2 LYS 55 -26.979 24.030 -15.365 389 HE2 LYS 55 HE1 LYS 55 -24.671 25.652 -14.314 390 HE3 LYS 55 HE2 LYS 55 -26.082 26.371 -15.089 391 HZ1 LYS 55 HZ1 LYS 55 -25.927 25.990 -12.486 392 HZ2 LYS 55 HZ2 LYS 55 -26.586 24.493 -12.918 393 HZ3 LYS 55 HZ3 LYS 55 -27.396 25.922 -13.323 394 H ARG 56 HN ARG 56 -20.801 22.185 -14.291 395 HA ARG 56 HA ARG 56 -21.406 19.920 -12.769 396 HB2 ARG 56 HB1 ARG 56 -19.511 20.452 -14.565 397 HB3 ARG 56 HB2 ARG 56 -18.554 20.704 -13.112 398 HG2 ARG 56 HG1 ARG 56 -18.607 18.505 -12.522 399 HG3 ARG 56 HG2 ARG 56 -20.166 18.221 -13.299 400 HD2 ARG 56 HD1 ARG 56 -18.227 18.965 -15.271 401 HD3 ARG 56 HD2 ARG 56 -17.597 17.639 -14.295 402 HE ARG 56 HE ARG 56 -20.146 16.884 -14.923 403 HH11 ARG 56 HH11 ARG 56 -17.331 17.829 -16.739 404 HH12 ARG 56 HH12 ARG 56 -17.729 16.853 -18.114 405 HH21 ARG 56 HH21 ARG 56 -20.682 15.595 -16.726 406 HH22 ARG 56 HH22 ARG 56 -19.636 15.583 -18.106 407 H LEU 57 HN LEU 57 -20.284 23.015 -11.811 408 HA LEU 57 HA LEU 57 -19.575 21.989 -9.145 409 HB2 LEU 57 HB1 LEU 57 -18.656 24.320 -10.750 410 HB3 LEU 57 HB2 LEU 57 -18.675 24.469 -8.994 411 HG LEU 57 HG LEU 57 -16.472 23.815 -10.007 412 HD11 LEU 57 HD11 LEU 57 -15.896 22.632 -8.149 413 HD12 LEU 57 HD12 LEU 57 -17.315 21.589 -8.233 414 HD13 LEU 57 HD13 LEU 57 -17.468 23.238 -7.627 415 HD21 LEU 57 HD21 LEU 57 -16.136 21.811 -11.057 416 HD22 LEU 57 HD22 LEU 57 -17.775 22.172 -11.602 417 HD23 LEU 57 HD23 LEU 57 -17.515 21.041 -10.273 418 H LYS 58 HN LYS 58 -22.253 22.769 -10.451 419 HA LYS 58 HA LYS 58 -24.237 23.600 -9.707 420 HB2 LYS 58 HB1 LYS 58 -22.882 24.309 -7.112 421 HB3 LYS 58 HB2 LYS 58 -24.579 23.940 -7.385 422 HG2 LYS 58 HG1 LYS 58 -23.559 21.623 -8.172 423 HG3 LYS 58 HG2 LYS 58 -22.261 22.119 -7.083 424 HD2 LYS 58 HD1 LYS 58 -23.971 22.482 -5.311 425 HD3 LYS 58 HD2 LYS 58 -25.186 21.819 -6.406 426 HE2 LYS 58 HE1 LYS 58 -23.602 19.785 -6.558 427 HE3 LYS 58 HE2 LYS 58 -22.869 20.442 -5.096 428 HZ1 LYS 58 HZ1 LYS 58 -25.614 20.459 -4.698 429 HZ2 LYS 58 HZ2 LYS 58 -24.470 19.466 -3.946 430 HZ3 LYS 58 HZ3 LYS 58 -25.244 18.946 -5.358 431 H ILE 59 HN ILE 59 -22.084 25.287 -10.911 432 HA ILE 59 HA ILE 59 -22.904 27.919 -9.880 433 HB ILE 59 HB ILE 59 -20.568 27.361 -11.702 434 HG12 ILE 59 HG11 ILE 59 -20.577 27.673 -8.692 435 HG13 ILE 59 HG12 ILE 59 -20.276 26.173 -9.562 436 HG21 ILE 59 HG21 ILE 59 -21.508 29.661 -11.662 437 HG22 ILE 59 HG22 ILE 59 -21.151 29.732 -9.937 438 HG23 ILE 59 HG23 ILE 59 -19.838 29.568 -11.103 439 HD11 ILE 59 HD11 ILE 59 -18.502 28.438 -9.034 440 HD12 ILE 59 HD12 ILE 59 -18.130 26.736 -9.307 441 HD13 ILE 59 HD13 ILE 59 -18.426 27.805 -10.678 442 H SER 60 HN SER 60 -24.394 28.946 -11.021 443 HA SER 60 HA SER 60 -24.844 28.204 -13.810 444 HB2 SER 60 HB1 SER 60 -27.017 28.718 -13.466 445 HB3 SER 60 HB2 SER 60 -26.596 28.694 -11.754 446 HG SER 60 HG SER 60 -27.601 30.636 -12.205 447 H SER 61 HN SER 61 -23.646 30.807 -11.867 448 HA SER 61 HA SER 61 -23.830 32.793 -13.948 449 HB2 SER 61 HB1 SER 61 -22.775 32.711 -11.156 450 HB3 SER 61 HB2 SER 61 -22.181 33.974 -12.234 451 HG SER 61 HG SER 61 -24.202 34.783 -12.420 452 HA PRO 62 HA PRO 62 -20.069 31.927 -16.051 453 HB2 PRO 62 HB1 PRO 62 -19.473 34.407 -16.981 454 HB3 PRO 62 HB2 PRO 62 -20.781 33.421 -17.644 455 HG2 PRO 62 HG1 PRO 62 -20.916 35.666 -15.668 456 HG3 PRO 62 HG2 PRO 62 -21.972 35.330 -17.053 457 HD2 PRO 62 HD1 PRO 62 -22.661 34.704 -14.510 458 HD3 PRO 62 HD2 PRO 62 -23.180 33.737 -15.906 459 H VAL 63 HN VAL 63 -18.162 31.523 -15.141 460 HA VAL 63 HA VAL 63 -16.793 33.679 -13.689 461 HB VAL 63 HB VAL 63 -15.990 32.062 -12.007 462 HG11 VAL 63 HG11 VAL 63 -18.782 31.625 -11.520 463 HG12 VAL 63 HG12 VAL 63 -17.674 32.752 -10.733 464 HG13 VAL 63 HG13 VAL 63 -18.535 33.236 -12.195 465 HG21 VAL 63 HG21 VAL 63 -17.864 30.192 -13.441 466 HG22 VAL 63 HG22 VAL 63 -16.134 29.989 -13.160 467 HG23 VAL 63 HG23 VAL 63 -17.264 29.898 -11.809 468 H ARG 64 HN ARG 64 -14.451 32.732 -13.106 469 HA ARG 64 HA ARG 64 -13.111 32.467 -15.570 470 HB2 ARG 64 HB1 ARG 64 -11.944 31.724 -12.892 471 HB3 ARG 64 HB2 ARG 64 -11.104 32.342 -14.308 472 HG2 ARG 64 HG1 ARG 64 -11.539 34.475 -13.788 473 HG3 ARG 64 HG2 ARG 64 -13.186 34.117 -13.267 474 HD2 ARG 64 HD1 ARG 64 -12.585 34.025 -11.121 475 HD3 ARG 64 HD2 ARG 64 -11.205 32.987 -11.477 476 HE ARG 64 HE ARG 64 -10.396 35.447 -12.299 477 HH11 ARG 64 HH11 ARG 64 -11.682 34.183 -9.321 478 HH12 ARG 64 HH12 ARG 64 -10.835 35.317 -8.322 479 HH21 ARG 64 HH21 ARG 64 -9.275 36.945 -10.995 480 HH22 ARG 64 HH22 ARG 64 -9.466 36.888 -9.276 481 H VAL 65 HN VAL 65 -12.321 30.740 -16.661 482 HA VAL 65 HA VAL 65 -12.311 28.100 -15.460 483 HB VAL 65 HB VAL 65 -13.660 27.094 -17.282 484 HG11 VAL 65 HG11 VAL 65 -14.547 27.869 -14.985 485 HG12 VAL 65 HG12 VAL 65 -15.360 29.138 -15.903 486 HG13 VAL 65 HG13 VAL 65 -15.708 27.442 -16.242 487 HG21 VAL 65 HG21 VAL 65 -15.117 28.543 -18.626 488 HG22 VAL 65 HG22 VAL 65 -14.329 29.963 -17.939 489 HG23 VAL 65 HG23 VAL 65 -13.411 28.848 -18.950 490 H CYS 66 HN CYS 66 -10.757 26.826 -16.304 491 HA CYS 66 HA CYS 66 -8.939 27.965 -18.202 492 HB2 CYS 66 HB1 CYS 66 -7.710 25.800 -17.909 493 HB3 CYS 66 HB2 CYS 66 -8.023 26.660 -16.405 494 H GLN 67 HN GLN 67 -8.348 27.109 -20.234 495 HA GLN 67 HA GLN 67 -10.401 26.484 -21.963 496 HB2 GLN 67 HB1 GLN 67 -8.404 27.262 -22.929 497 HB3 GLN 67 HB2 GLN 67 -7.434 26.032 -22.129 498 HG2 GLN 67 HG1 GLN 67 -8.432 24.315 -23.544 499 HG3 GLN 67 HG2 GLN 67 -9.414 25.542 -24.343 500 HE21 GLN 67 HE21 GLN 67 -5.374 25.804 -24.948 501 HE22 GLN 67 HE22 GLN 67 -6.008 25.499 -23.370 502 H ASN 68 HN ASN 68 -8.516 24.363 -19.942 503 HA ASN 68 HA ASN 68 -9.192 21.929 -21.236 504 HB2 ASN 68 HB1 ASN 68 -7.593 22.727 -19.039 505 HB3 ASN 68 HB2 ASN 68 -8.734 21.532 -18.430 506 HD21 ASN 68 HD21 ASN 68 -5.525 20.308 -20.327 507 HD22 ASN 68 HD22 ASN 68 -5.747 21.850 -19.581 508 H CYS 69 HN CYS 69 -10.688 23.841 -18.698 509 HA CYS 69 HA CYS 69 -12.712 21.824 -18.189 510 HB2 CYS 69 HB1 CYS 69 -12.055 24.507 -17.018 511 HB3 CYS 69 HB2 CYS 69 -13.630 23.779 -16.718 512 H TYR 70 HN TYR 70 -12.635 25.181 -19.380 513 HA TYR 70 HA TYR 70 -15.288 25.541 -19.979 514 HB2 TYR 70 HB1 TYR 70 -13.656 27.329 -20.211 515 HB3 TYR 70 HB2 TYR 70 -12.888 26.492 -21.556 516 HD1 TYR 70 HD1 TYR 70 -15.629 28.636 -20.530 517 HD2 TYR 70 HD2 TYR 70 -14.060 26.317 -23.733 518 HE1 TYR 70 HE1 TYR 70 -17.117 29.808 -22.099 519 HE2 TYR 70 HE2 TYR 70 -15.542 27.483 -25.312 520 HH TYR 70 HH TYR 70 -18.159 29.111 -24.515 521 H TYR 71 HN TYR 71 -12.883 23.728 -21.779 522 HA TYR 71 HA TYR 71 -14.244 23.384 -24.186 523 HB2 TYR 71 HB1 TYR 71 -11.950 22.242 -22.883 524 HB3 TYR 71 HB2 TYR 71 -12.890 20.964 -23.645 525 HD1 TYR 71 HD1 TYR 71 -11.379 24.297 -24.353 526 HD2 TYR 71 HD2 TYR 71 -12.646 20.551 -25.923 527 HE1 TYR 71 HE1 TYR 71 -10.398 24.884 -26.530 528 HE2 TYR 71 HE2 TYR 71 -11.667 21.127 -28.104 529 HH TYR 71 HH TYR 71 -11.064 23.189 -29.363 530 H ASN 72 HN ASN 72 -14.441 21.549 -21.169 531 HA ASN 72 HA ASN 72 -16.368 19.694 -22.257 532 HB2 ASN 72 HB1 ASN 72 -14.879 20.002 -19.719 533 HB3 ASN 72 HB2 ASN 72 -16.466 19.248 -19.587 534 HD21 ASN 72 HD21 ASN 72 -14.779 16.259 -20.178 535 HD22 ASN 72 HD22 ASN 72 -15.583 17.267 -19.028 536 H LEU 73 HN LEU 73 -16.385 22.661 -20.452 537 HA LEU 73 HA LEU 73 -19.021 22.470 -19.418 538 HB2 LEU 73 HB1 LEU 73 -17.290 24.867 -19.999 539 HB3 LEU 73 HB2 LEU 73 -18.823 24.932 -19.131 540 HG LEU 73 HG LEU 73 -16.443 23.343 -18.186 541 HD11 LEU 73 HD11 LEU 73 -17.154 25.810 -16.769 542 HD12 LEU 73 HD12 LEU 73 -16.455 26.051 -18.369 543 HD13 LEU 73 HD13 LEU 73 -15.571 25.131 -17.152 544 HD21 LEU 73 HD21 LEU 73 -17.938 22.510 -16.768 545 HD22 LEU 73 HD22 LEU 73 -19.187 23.619 -17.335 546 HD23 LEU 73 HD23 LEU 73 -18.070 24.122 -16.066 547 H GLN 74 HN GLN 74 -17.678 24.114 -22.274 548 HA GLN 74 HA GLN 74 -20.164 25.082 -23.216 549 HB2 GLN 74 HB1 GLN 74 -18.958 25.466 -25.344 550 HB3 GLN 74 HB2 GLN 74 -18.094 26.098 -23.949 551 HG2 GLN 74 HG1 GLN 74 -16.314 24.880 -24.427 552 HG3 GLN 74 HG2 GLN 74 -17.274 23.402 -24.466 553 HE21 GLN 74 HE21 GLN 74 -16.214 23.209 -27.792 554 HE22 GLN 74 HE22 GLN 74 -16.011 22.621 -26.180 555 H HIS 75 HN HIS 75 -18.504 22.045 -23.548 556 HA HIS 75 HA HIS 75 -20.172 21.123 -25.720 557 HB2 HIS 75 HB1 HIS 75 -17.815 20.137 -24.263 558 HB3 HIS 75 HB2 HIS 75 -18.947 18.878 -24.746 559 HD1 HIS 75 HD1 HIS 75 -16.989 18.077 -26.363 560 HD2 HIS 75 HD2 HIS 75 -18.693 21.754 -27.278 561 HE1 HIS 75 HE1 HIS 75 -16.282 18.577 -28.723 562 H GLU 76 HN GLU 76 -20.148 20.989 -22.252 563 HA GLU 76 HA GLU 76 -22.031 18.823 -22.055 564 HB2 GLU 76 HB1 GLU 76 -20.511 19.104 -20.232 565 HB3 GLU 76 HB2 GLU 76 -20.950 20.796 -20.045 566 HG2 GLU 76 HG1 GLU 76 -22.847 20.327 -18.901 567 HG3 GLU 76 HG2 GLU 76 -23.117 18.806 -19.750 568 H ARG 77 HN ARG 77 -22.157 22.320 -22.124 569 HA ARG 77 HA ARG 77 -25.062 22.240 -21.694 570 HB2 ARG 77 HB1 ARG 77 -22.978 24.362 -21.357 571 HB3 ARG 77 HB2 ARG 77 -24.645 24.835 -21.653 572 HG2 ARG 77 HG1 ARG 77 -23.925 22.925 -19.459 573 HG3 ARG 77 HG2 ARG 77 -23.857 24.674 -19.232 574 HD2 ARG 77 HD1 ARG 77 -26.336 23.893 -20.479 575 HD3 ARG 77 HD2 ARG 77 -26.089 23.012 -18.972 576 HE ARG 77 HE ARG 77 -25.531 25.718 -18.523 577 HH11 ARG 77 HH11 ARG 77 -28.230 23.645 -19.255 578 HH12 ARG 77 HH12 ARG 77 -29.391 24.658 -18.464 579 HH21 ARG 77 HH21 ARG 77 -27.050 27.061 -17.478 580 HH22 ARG 77 HH22 ARG 77 -28.719 26.602 -17.454 581 H GLY 78 HN GLY 78 -23.664 21.471 -24.192 582 HA2 GLY 78 HA2 GLY 78 -25.424 22.568 -26.056 583 HA3 GLY 78 HA1 GLY 78 -23.944 23.513 -26.131 Start of MODEL 12 1 H1 SER 1 HN SER 1 29.030 28.672 -13.495 2 HA SER 1 HA SER 1 27.003 27.648 -13.617 3 HB2 SER 1 HB1 SER 1 28.371 25.161 -12.583 4 HB3 SER 1 HB2 SER 1 26.926 25.259 -13.590 5 HG SER 1 HG SER 1 28.406 24.925 -15.088 6 H ASN 2 HN ASN 2 26.179 28.948 -11.922 7 HA ASN 2 HA ASN 2 25.372 27.399 -9.602 8 HB2 ASN 2 HB1 ASN 2 27.185 29.767 -9.473 9 HB3 ASN 2 HB2 ASN 2 25.965 29.583 -8.216 10 HD21 ASN 2 HD21 ASN 2 29.348 27.529 -8.018 11 HD22 ASN 2 HD22 ASN 2 29.060 28.861 -9.081 12 H ALA 3 HN ALA 3 25.385 30.889 -10.273 13 HA ALA 3 HA ALA 3 23.705 32.395 -10.573 14 HB1 ALA 3 HB1 ALA 3 22.742 29.968 -11.878 15 HB2 ALA 3 HB2 ALA 3 21.451 31.050 -11.353 16 HB3 ALA 3 HB3 ALA 3 22.715 31.643 -12.431 17 H GLY 4 HN GLY 4 21.275 32.795 -9.913 18 HA2 GLY 4 HA2 GLY 4 20.610 31.381 -7.436 19 HA3 GLY 4 HA1 GLY 4 20.910 33.110 -7.333 20 H ARG 5 HN ARG 5 18.570 32.581 -6.444 21 HA ARG 5 HA ARG 5 16.764 33.843 -8.202 22 HB2 ARG 5 HB1 ARG 5 15.311 32.132 -8.863 23 HB3 ARG 5 HB2 ARG 5 16.909 31.451 -9.136 24 HG2 ARG 5 HG1 ARG 5 15.194 30.923 -6.718 25 HG3 ARG 5 HG2 ARG 5 15.353 29.852 -8.112 26 HD2 ARG 5 HD1 ARG 5 17.823 29.798 -7.657 27 HD3 ARG 5 HD2 ARG 5 17.494 30.654 -6.151 28 HE ARG 5 HE ARG 5 15.851 28.436 -6.154 29 HH11 ARG 5 HH11 ARG 5 19.271 29.078 -6.248 30 HH12 ARG 5 HH12 ARG 5 19.701 27.610 -5.434 31 HH21 ARG 5 HH21 ARG 5 16.404 26.500 -5.081 32 HH22 ARG 5 HH22 ARG 5 18.070 26.144 -4.772 33 H SER 6 HN SER 6 15.060 34.671 -7.094 34 HA SER 6 HA SER 6 13.860 33.568 -4.819 35 HB2 SER 6 HB1 SER 6 16.332 34.411 -4.114 36 HB3 SER 6 HB2 SER 6 15.417 35.897 -3.855 37 HG SER 6 HG SER 6 15.005 34.954 -2.006 38 H ALA 7 HN ALA 7 12.603 35.331 -3.561 39 HA ALA 7 HA ALA 7 11.440 37.115 -5.567 40 HB1 ALA 7 HB1 ALA 7 9.633 37.362 -3.779 41 HB2 ALA 7 HB2 ALA 7 9.781 35.794 -4.574 42 HB3 ALA 7 HB3 ALA 7 10.439 36.027 -2.955 43 H ALA 8 HN ALA 8 10.510 39.217 -4.563 44 HA ALA 8 HA ALA 8 12.660 40.478 -2.989 45 HB1 ALA 8 HB1 ALA 8 12.532 41.348 -5.255 46 HB2 ALA 8 HB2 ALA 8 10.827 41.737 -5.026 47 HB3 ALA 8 HB3 ALA 8 12.058 42.584 -4.090 48 H ASP 9 HN ASP 9 9.352 39.671 -3.071 49 HA ASP 9 HA ASP 9 8.938 41.019 -0.524 50 HB2 ASP 9 HB1 ASP 9 8.156 42.517 -2.473 51 HB3 ASP 9 HB2 ASP 9 6.854 41.347 -2.671 52 H HIS 10 HN HIS 10 9.304 38.392 -0.712 53 HA HIS 10 HA HIS 10 6.913 37.305 0.334 54 HB2 HIS 10 HB1 HIS 10 7.109 37.188 -2.485 55 HB3 HIS 10 HB2 HIS 10 7.410 35.558 -1.890 56 HD1 HIS 10 HD1 HIS 10 5.231 34.453 -2.435 57 HD2 HIS 10 HD2 HIS 10 4.729 38.031 -0.384 58 HE1 HIS 10 HE1 HIS 10 2.780 34.575 -1.886 59 H TRP 11 HN TRP 11 8.197 36.629 2.013 60 HA TRP 11 HA TRP 11 10.417 34.815 1.414 61 HB2 TRP 11 HB1 TRP 11 10.327 36.862 3.164 62 HB3 TRP 11 HB2 TRP 11 9.807 35.553 4.221 63 HD1 TRP 11 HD1 TRP 11 11.593 33.274 3.981 64 HE1 TRP 11 HE1 TRP 11 14.162 33.364 4.121 65 HE3 TRP 11 HE3 TRP 11 12.294 38.215 2.875 66 HZ2 TRP 11 HZ2 TRP 11 16.213 35.276 3.806 67 HZ3 TRP 11 HZ3 TRP 11 14.591 39.096 2.815 68 HH2 TRP 11 HH2 TRP 11 16.508 37.656 3.271 69 H VAL 12 HN VAL 12 7.581 34.058 1.141 70 HA VAL 12 HA VAL 12 7.716 31.484 2.274 71 HB VAL 12 HB VAL 12 7.169 32.896 4.326 72 HG11 VAL 12 HG11 VAL 12 4.888 33.623 4.616 73 HG12 VAL 12 HG12 VAL 12 5.560 34.382 3.171 74 HG13 VAL 12 HG13 VAL 12 4.454 33.016 3.019 75 HG21 VAL 12 HG21 VAL 12 6.266 31.053 5.236 76 HG22 VAL 12 HG22 VAL 12 4.927 31.021 4.089 77 HG23 VAL 12 HG23 VAL 12 6.493 30.349 3.636 78 H LYS 13 HN LYS 13 5.785 30.195 1.829 79 HA LYS 13 HA LYS 13 3.870 31.414 -0.015 80 HB2 LYS 13 HB1 LYS 13 4.162 29.399 -1.536 81 HB3 LYS 13 HB2 LYS 13 5.454 30.593 -1.567 82 HG2 LYS 13 HG1 LYS 13 6.035 28.625 0.422 83 HG3 LYS 13 HG2 LYS 13 5.655 27.828 -1.106 84 HD2 LYS 13 HD1 LYS 13 7.906 28.195 -1.370 85 HD3 LYS 13 HD2 LYS 13 7.252 29.666 -2.094 86 HE2 LYS 13 HE1 LYS 13 8.016 30.986 -0.422 87 HE3 LYS 13 HE2 LYS 13 7.745 29.759 0.815 88 HZ1 LYS 13 HZ1 LYS 13 9.727 28.597 0.003 89 HZ2 LYS 13 HZ2 LYS 13 10.089 30.157 0.546 90 HZ3 LYS 13 HZ3 LYS 13 10.003 29.838 -1.113 91 H ASP 14 HN ASP 14 2.281 31.135 1.556 92 HA ASP 14 HA ASP 14 1.265 28.409 1.750 93 HB2 ASP 14 HB1 ASP 14 2.198 30.057 4.053 94 HB3 ASP 14 HB2 ASP 14 0.751 29.077 4.271 95 H GLU 15 HN GLU 15 0.548 31.010 0.446 96 HA GLU 15 HA GLU 15 -2.107 31.387 1.665 97 HB2 GLU 15 HB1 GLU 15 -0.644 33.404 1.613 98 HB3 GLU 15 HB2 GLU 15 -0.615 33.296 -0.141 99 HG2 GLU 15 HG1 GLU 15 -2.930 33.772 -0.299 100 HG3 GLU 15 HG2 GLU 15 -3.153 33.579 1.439 101 H GLY 16 HN GLY 16 -0.454 30.140 -0.999 102 HA2 GLY 16 HA2 GLY 16 -2.276 28.820 -2.329 103 HA3 GLY 16 HA1 GLY 16 -2.747 30.445 -2.802 104 H GLY 17 HN GLY 17 -1.494 31.595 -4.260 105 HA2 GLY 17 HA2 GLY 17 1.035 31.263 -5.128 106 HA3 GLY 17 HA1 GLY 17 0.197 29.950 -5.940 107 H ASP 18 HN ASP 18 0.834 33.321 -5.886 108 HA ASP 18 HA ASP 18 -1.228 34.028 -7.774 109 HB2 ASP 18 HB1 ASP 18 1.192 35.653 -6.975 110 HB3 ASP 18 HB2 ASP 18 -0.299 36.246 -7.702 111 H SER 19 HN SER 19 -0.041 31.992 -8.953 112 HA SER 19 HA SER 19 1.307 33.229 -11.222 113 HB2 SER 19 HB1 SER 19 2.687 30.802 -10.843 114 HB3 SER 19 HB2 SER 19 3.332 32.436 -10.686 115 HG SER 19 HG SER 19 2.871 32.394 -8.512 116 H CYS 20 HN CYS 20 0.917 32.219 -13.158 117 HA CYS 20 HA CYS 20 -1.393 30.732 -13.476 118 HB2 CYS 20 HB1 CYS 20 -0.243 31.988 -15.285 119 HB3 CYS 20 HB2 CYS 20 0.999 30.741 -15.328 120 H SER 21 HN SER 21 -1.754 28.537 -14.099 121 HA SER 21 HA SER 21 0.044 26.697 -12.716 122 HB2 SER 21 HB1 SER 21 -1.957 25.942 -12.003 123 HB3 SER 21 HB2 SER 21 -2.823 26.784 -13.287 124 HG SER 21 HG SER 21 -3.066 24.577 -13.576 125 H GLY 22 HN GLY 22 -1.195 27.422 -15.908 126 HA2 GLY 22 HA2 GLY 22 0.192 25.089 -17.026 127 HA3 GLY 22 HA1 GLY 22 -0.969 26.100 -17.873 128 H CYS 23 HN CYS 23 1.035 28.134 -16.227 129 HA CYS 23 HA CYS 23 3.090 28.212 -18.312 130 HB2 CYS 23 HB1 CYS 23 1.381 30.578 -17.511 131 HB3 CYS 23 HB2 CYS 23 2.797 30.662 -18.554 132 H SER 24 HN SER 24 1.970 29.057 -15.124 133 HA SER 24 HA SER 24 3.099 29.445 -13.182 134 HB2 SER 24 HB1 SER 24 4.672 27.680 -14.157 135 HB3 SER 24 HB2 SER 24 5.688 29.025 -14.675 136 HG SER 24 HG SER 24 5.469 27.905 -12.239 137 H VAL 25 HN VAL 25 2.816 31.416 -15.568 138 HA VAL 25 HA VAL 25 4.888 33.343 -15.193 139 HB VAL 25 HB VAL 25 3.792 33.400 -17.290 140 HG11 VAL 25 HG11 VAL 25 1.383 33.061 -15.666 141 HG12 VAL 25 HG12 VAL 25 1.194 34.195 -17.005 142 HG13 VAL 25 HG13 VAL 25 1.722 32.541 -17.317 143 HG21 VAL 25 HG21 VAL 25 2.658 35.744 -15.774 144 HG22 VAL 25 HG22 VAL 25 4.355 35.603 -16.234 145 HG23 VAL 25 HG23 VAL 25 3.107 35.679 -17.478 146 H ARG 26 HN ARG 26 5.136 34.334 -13.295 147 HA ARG 26 HA ARG 26 3.283 34.658 -11.282 148 HB2 ARG 26 HB1 ARG 26 5.440 36.685 -11.854 149 HB3 ARG 26 HB2 ARG 26 4.771 36.226 -10.294 150 HG2 ARG 26 HG1 ARG 26 6.558 34.584 -12.070 151 HG3 ARG 26 HG2 ARG 26 6.942 35.266 -10.488 152 HD2 ARG 26 HD1 ARG 26 4.665 33.763 -10.030 153 HD3 ARG 26 HD2 ARG 26 5.588 32.789 -11.173 154 HE ARG 26 HE ARG 26 6.202 33.240 -8.431 155 HH11 ARG 26 HH11 ARG 26 7.634 32.718 -11.560 156 HH12 ARG 26 HH12 ARG 26 9.092 32.032 -10.923 157 HH21 ARG 26 HH21 ARG 26 8.116 32.338 -7.580 158 HH22 ARG 26 HH22 ARG 26 9.365 31.815 -8.659 159 H PHE 27 HN PHE 27 1.329 35.540 -11.495 160 HA PHE 27 HA PHE 27 0.524 37.402 -13.386 161 HB2 PHE 27 HB1 PHE 27 -0.642 36.978 -10.626 162 HB3 PHE 27 HB2 PHE 27 -1.458 37.749 -11.983 163 HD1 PHE 27 HD1 PHE 27 -1.226 34.814 -10.187 164 HD2 PHE 27 HD2 PHE 27 -1.398 36.215 -14.203 165 HE1 PHE 27 HE1 PHE 27 -2.078 32.623 -10.912 166 HE2 PHE 27 HE2 PHE 27 -2.252 34.026 -14.934 167 HZ PHE 27 HZ PHE 27 -2.594 32.227 -13.287 168 H SER 28 HN SER 28 0.480 39.586 -13.512 169 HA SER 28 HA SER 28 1.257 41.183 -11.197 170 HB2 SER 28 HB1 SER 28 3.009 42.367 -12.405 171 HB3 SER 28 HB2 SER 28 3.370 40.641 -12.385 172 HG SER 28 HG SER 28 3.666 41.544 -14.462 173 H LEU 29 HN LEU 29 1.544 43.623 -12.382 174 HA LEU 29 HA LEU 29 -1.099 44.440 -12.795 175 HB2 LEU 29 HB1 LEU 29 1.256 45.977 -13.828 176 HB3 LEU 29 HB2 LEU 29 -0.256 46.590 -13.161 177 HG LEU 29 HG LEU 29 0.788 45.270 -11.017 178 HD11 LEU 29 HD11 LEU 29 3.006 46.045 -12.816 179 HD12 LEU 29 HD12 LEU 29 2.910 44.753 -11.620 180 HD13 LEU 29 HD13 LEU 29 3.191 46.415 -11.102 181 HD21 LEU 29 HD21 LEU 29 1.089 47.393 -10.078 182 HD22 LEU 29 HD22 LEU 29 -0.160 47.625 -11.301 183 HD23 LEU 29 HD23 LEU 29 1.501 48.121 -11.631 184 H THR 30 HN THR 30 1.175 43.076 -14.958 185 HA THR 30 HA THR 30 -0.329 43.996 -17.303 186 HB THR 30 HB THR 30 1.527 43.051 -18.638 187 HG1 THR 30 HG1 THR 30 3.385 42.317 -17.521 188 HG21 THR 30 HG21 THR 30 1.481 45.413 -17.393 189 HG22 THR 30 HG22 THR 30 2.842 44.896 -18.388 190 HG23 THR 30 HG23 THR 30 2.922 44.737 -16.634 191 H GLU 31 HN GLU 31 0.170 41.263 -15.293 192 HA GLU 31 HA GLU 31 -1.344 39.597 -17.194 193 HB2 GLU 31 HB1 GLU 31 1.044 38.883 -16.911 194 HB3 GLU 31 HB2 GLU 31 0.700 38.587 -15.213 195 HG2 GLU 31 HG1 GLU 31 0.548 36.496 -16.237 196 HG3 GLU 31 HG2 GLU 31 -1.121 37.012 -16.008 197 H ARG 32 HN ARG 32 -3.351 39.450 -16.437 198 HA ARG 32 HA ARG 32 -3.965 39.681 -13.644 199 HB2 ARG 32 HB1 ARG 32 -5.607 39.153 -16.110 200 HB3 ARG 32 HB2 ARG 32 -6.314 39.069 -14.502 201 HG2 ARG 32 HG1 ARG 32 -5.584 41.405 -14.112 202 HG3 ARG 32 HG2 ARG 32 -5.025 41.467 -15.785 203 HD2 ARG 32 HD1 ARG 32 -7.604 40.509 -16.000 204 HD3 ARG 32 HD2 ARG 32 -7.715 41.698 -14.703 205 HE ARG 32 HE ARG 32 -6.270 42.795 -16.851 206 HH11 ARG 32 HH11 ARG 32 -9.502 41.828 -15.994 207 HH12 ARG 32 HH12 ARG 32 -10.264 42.970 -17.050 208 HH21 ARG 32 HH21 ARG 32 -7.261 44.304 -18.246 209 HH22 ARG 32 HH22 ARG 32 -8.989 44.378 -18.331 210 H ARG 33 HN ARG 33 -5.187 38.073 -12.433 211 HA ARG 33 HA ARG 33 -4.346 35.336 -13.126 212 HB2 ARG 33 HB1 ARG 33 -4.221 34.833 -10.802 213 HB3 ARG 33 HB2 ARG 33 -3.388 36.364 -11.033 214 HG2 ARG 33 HG1 ARG 33 -4.622 37.138 -9.358 215 HG3 ARG 33 HG2 ARG 33 -5.981 37.122 -10.484 216 HD2 ARG 33 HD1 ARG 33 -6.601 34.901 -9.765 217 HD3 ARG 33 HD2 ARG 33 -5.178 34.807 -8.728 218 HE ARG 33 HE ARG 33 -6.321 35.981 -7.141 219 HH11 ARG 33 HH11 ARG 33 -7.874 36.461 -10.219 220 HH12 ARG 33 HH12 ARG 33 -9.210 37.341 -9.555 221 HH21 ARG 33 HH21 ARG 33 -8.075 37.139 -6.254 222 HH22 ARG 33 HH22 ARG 33 -9.323 37.727 -7.300 223 H HIS 34 HN HIS 34 -5.822 33.710 -13.163 224 HA HIS 34 HA HIS 34 -8.598 34.373 -12.445 225 HB2 HIS 34 HB1 HIS 34 -7.518 33.285 -15.007 226 HB3 HIS 34 HB2 HIS 34 -9.092 32.719 -14.457 227 HD1 HIS 34 HD1 HIS 34 -9.267 34.173 -16.978 228 HD2 HIS 34 HD2 HIS 34 -9.213 36.194 -13.349 229 HE1 HIS 34 HE1 HIS 34 -10.299 36.418 -17.444 230 H HIS 35 HN HIS 35 -9.366 33.029 -10.966 231 HA HIS 35 HA HIS 35 -8.051 30.454 -10.550 232 HB2 HIS 35 HB1 HIS 35 -8.546 32.162 -8.681 233 HB3 HIS 35 HB2 HIS 35 -10.215 31.612 -8.808 234 HD1 HIS 35 HD1 HIS 35 -7.317 31.009 -6.890 235 HD2 HIS 35 HD2 HIS 35 -10.215 28.559 -8.582 236 HE1 HIS 35 HE1 HIS 35 -7.182 28.837 -5.629 237 H CYS 36 HN CYS 36 -8.852 28.810 -11.680 238 HA CYS 36 HA CYS 36 -11.444 28.742 -12.796 239 HB2 CYS 36 HB1 CYS 36 -9.424 27.476 -13.623 240 HB3 CYS 36 HB2 CYS 36 -9.653 26.365 -12.277 241 H ARG 37 HN ARG 37 -13.329 28.286 -11.885 242 HA ARG 37 HA ARG 37 -13.444 27.340 -9.164 243 HB2 ARG 37 HB1 ARG 37 -15.870 27.658 -10.886 244 HB3 ARG 37 HB2 ARG 37 -15.672 27.984 -9.170 245 HG2 ARG 37 HG1 ARG 37 -14.552 29.636 -11.425 246 HG3 ARG 37 HG2 ARG 37 -15.950 30.042 -10.428 247 HD2 ARG 37 HD1 ARG 37 -13.485 29.426 -8.947 248 HD3 ARG 37 HD2 ARG 37 -13.420 30.882 -9.939 249 HE ARG 37 HE ARG 37 -15.779 30.736 -8.320 250 HH11 ARG 37 HH11 ARG 37 -12.413 31.624 -8.358 251 HH12 ARG 37 HH12 ARG 37 -12.565 32.764 -7.063 252 HH21 ARG 37 HH21 ARG 37 -15.992 32.235 -6.614 253 HH22 ARG 37 HH22 ARG 37 -14.601 33.110 -6.071 254 H ASN 38 HN ASN 38 -12.944 25.751 -11.932 255 HA ASN 38 HA ASN 38 -14.765 23.528 -11.415 256 HB2 ASN 38 HB1 ASN 38 -14.255 24.457 -13.755 257 HB3 ASN 38 HB2 ASN 38 -12.697 23.650 -13.604 258 HD21 ASN 38 HD21 ASN 38 -14.055 20.374 -13.780 259 HD22 ASN 38 HD22 ASN 38 -12.806 21.312 -13.041 260 H CYS 39 HN CYS 39 -11.307 24.260 -11.490 261 HA CYS 39 HA CYS 39 -10.811 21.704 -10.109 262 HB2 CYS 39 HB1 CYS 39 -8.368 22.284 -11.030 263 HB3 CYS 39 HB2 CYS 39 -9.540 21.373 -11.977 264 H GLY 40 HN GLY 40 -10.084 25.141 -10.261 265 HA2 GLY 40 HA2 GLY 40 -9.778 26.447 -8.295 266 HA3 GLY 40 HA1 GLY 40 -9.216 25.006 -7.461 267 H GLN 41 HN GLN 41 -8.036 25.763 -10.639 268 HA GLN 41 HA GLN 41 -5.416 26.384 -9.454 269 HB2 GLN 41 HB1 GLN 41 -5.905 25.435 -12.272 270 HB3 GLN 41 HB2 GLN 41 -4.386 25.458 -11.386 271 HG2 GLN 41 HG1 GLN 41 -5.992 23.881 -9.813 272 HG3 GLN 41 HG2 GLN 41 -6.484 23.449 -11.450 273 HE21 GLN 41 HE21 GLN 41 -3.053 22.087 -9.924 274 HE22 GLN 41 HE22 GLN 41 -4.230 22.967 -9.016 275 H LEU 42 HN LEU 42 -4.294 28.181 -10.071 276 HA LEU 42 HA LEU 42 -5.816 30.302 -11.278 277 HB2 LEU 42 HB1 LEU 42 -3.528 30.065 -9.595 278 HB3 LEU 42 HB2 LEU 42 -3.096 31.041 -10.998 279 HG LEU 42 HG LEU 42 -4.878 32.608 -10.493 280 HD11 LEU 42 HD11 LEU 42 -6.467 30.989 -9.543 281 HD12 LEU 42 HD12 LEU 42 -6.246 32.400 -8.509 282 HD13 LEU 42 HD13 LEU 42 -5.464 30.874 -8.097 283 HD21 LEU 42 HD21 LEU 42 -3.781 32.479 -7.806 284 HD22 LEU 42 HD22 LEU 42 -3.570 33.704 -9.058 285 HD23 LEU 42 HD23 LEU 42 -2.550 32.265 -9.050 286 H PHE 43 HN PHE 43 -5.618 31.158 -13.278 287 HA PHE 43 HA PHE 43 -3.447 30.227 -15.009 288 HB2 PHE 43 HB1 PHE 43 -6.387 30.094 -15.711 289 HB3 PHE 43 HB2 PHE 43 -5.073 29.841 -16.855 290 HD1 PHE 43 HD1 PHE 43 -7.294 28.287 -14.612 291 HD2 PHE 43 HD2 PHE 43 -3.363 27.980 -16.215 292 HE1 PHE 43 HE1 PHE 43 -7.238 25.902 -14.009 293 HE2 PHE 43 HE2 PHE 43 -3.301 25.595 -15.616 294 HZ PHE 43 HZ PHE 43 -5.240 24.553 -14.512 295 H CYS 44 HN CYS 44 -3.099 31.560 -16.885 296 HA CYS 44 HA CYS 44 -3.720 34.347 -16.343 297 HB2 CYS 44 HB1 CYS 44 -2.069 34.840 -18.082 298 HB3 CYS 44 HB2 CYS 44 -1.411 33.715 -16.898 299 H GLN 45 HN GLN 45 -4.396 35.785 -18.108 300 HA GLN 45 HA GLN 45 -6.797 34.988 -19.269 301 HB2 GLN 45 HB1 GLN 45 -6.762 37.081 -20.466 302 HB3 GLN 45 HB2 GLN 45 -6.123 37.342 -18.848 303 HG2 GLN 45 HG1 GLN 45 -3.888 37.441 -19.664 304 HG3 GLN 45 HG2 GLN 45 -4.393 36.918 -21.270 305 HE21 GLN 45 HE21 GLN 45 -3.875 40.557 -21.370 306 HE22 GLN 45 HE22 GLN 45 -2.914 39.159 -21.043 307 H LYS 46 HN LYS 46 -3.567 34.511 -20.328 308 HA LYS 46 HA LYS 46 -4.306 34.025 -23.093 309 HB2 LYS 46 HB1 LYS 46 -1.987 34.870 -21.905 310 HB3 LYS 46 HB2 LYS 46 -1.637 33.172 -22.203 311 HG2 LYS 46 HG1 LYS 46 -2.811 34.742 -24.427 312 HG3 LYS 46 HG2 LYS 46 -1.130 35.057 -23.990 313 HD2 LYS 46 HD1 LYS 46 -0.453 33.173 -24.969 314 HD3 LYS 46 HD2 LYS 46 -1.655 32.221 -24.095 315 HE2 LYS 46 HE1 LYS 46 -2.085 31.947 -26.420 316 HE3 LYS 46 HE2 LYS 46 -3.350 32.990 -25.771 317 HZ1 LYS 46 HZ1 LYS 46 -2.589 34.780 -26.909 318 HZ2 LYS 46 HZ2 LYS 46 -2.055 33.578 -27.972 319 HZ3 LYS 46 HZ3 LYS 46 -0.973 34.280 -26.877 320 H CYS 47 HN CYS 47 -4.126 32.283 -20.179 321 HA CYS 47 HA CYS 47 -3.644 29.707 -21.409 322 HB2 CYS 47 HB1 CYS 47 -3.538 30.776 -18.766 323 HB3 CYS 47 HB2 CYS 47 -4.670 29.428 -18.765 324 H SER 48 HN SER 48 -6.354 31.319 -19.761 325 HA SER 48 HA SER 48 -8.169 29.218 -20.648 326 HB2 SER 48 HB1 SER 48 -8.922 29.697 -18.564 327 HB3 SER 48 HB2 SER 48 -8.204 31.308 -18.570 328 HG SER 48 HG SER 48 -10.220 31.895 -18.788 329 H ARG 49 HN ARG 49 -7.569 32.660 -21.128 330 HA ARG 49 HA ARG 49 -8.612 34.196 -22.498 331 HB2 ARG 49 HB1 ARG 49 -8.479 33.443 -24.910 332 HB3 ARG 49 HB2 ARG 49 -6.982 33.340 -23.993 333 HG2 ARG 49 HG1 ARG 49 -7.448 30.921 -23.631 334 HG3 ARG 49 HG2 ARG 49 -8.827 31.079 -24.720 335 HD2 ARG 49 HD1 ARG 49 -6.647 32.238 -26.052 336 HD3 ARG 49 HD2 ARG 49 -6.041 30.744 -25.339 337 HE ARG 49 HE ARG 49 -8.515 30.289 -26.633 338 HH11 ARG 49 HH11 ARG 49 -5.147 30.877 -27.287 339 HH12 ARG 49 HH12 ARG 49 -5.160 30.037 -28.803 340 HH21 ARG 49 HH21 ARG 49 -8.546 29.182 -28.627 341 HH22 ARG 49 HH22 ARG 49 -7.095 29.075 -29.565 342 H PHE 50 HN PHE 50 -10.475 32.352 -21.140 343 HA PHE 50 HA PHE 50 -12.756 32.782 -22.919 344 HB2 PHE 50 HB1 PHE 50 -12.081 30.156 -21.584 345 HB3 PHE 50 HB2 PHE 50 -13.663 30.526 -22.263 346 HD1 PHE 50 HD1 PHE 50 -13.055 31.867 -24.745 347 HD2 PHE 50 HD2 PHE 50 -11.108 28.553 -22.917 348 HE1 PHE 50 HE1 PHE 50 -12.285 31.105 -26.954 349 HE2 PHE 50 HE2 PHE 50 -10.334 27.787 -25.123 350 HZ PHE 50 HZ PHE 50 -10.921 29.064 -27.145 351 H GLN 51 HN GLN 51 -14.856 32.233 -21.636 352 HA GLN 51 HA GLN 51 -14.698 32.633 -18.789 353 HB2 GLN 51 HB1 GLN 51 -15.397 34.853 -20.647 354 HB3 GLN 51 HB2 GLN 51 -16.324 34.708 -19.160 355 HG2 GLN 51 HG1 GLN 51 -14.088 34.654 -17.955 356 HG3 GLN 51 HG2 GLN 51 -13.382 35.183 -19.481 357 HE21 GLN 51 HE21 GLN 51 -13.818 38.417 -18.268 358 HE22 GLN 51 HE22 GLN 51 -12.715 37.147 -18.659 359 H SER 52 HN SER 52 -16.346 31.612 -17.853 360 HA SER 52 HA SER 52 -19.013 31.664 -18.734 361 HB2 SER 52 HB1 SER 52 -18.213 30.256 -20.567 362 HB3 SER 52 HB2 SER 52 -17.508 29.125 -19.413 363 HG SER 52 HG SER 52 -19.394 28.242 -19.193 364 H GLU 53 HN GLU 53 -20.359 29.963 -17.565 365 HA GLU 53 HA GLU 53 -19.481 29.896 -14.819 366 HB2 GLU 53 HB1 GLU 53 -21.738 28.896 -14.410 367 HB3 GLU 53 HB2 GLU 53 -21.776 30.460 -15.211 368 HG2 GLU 53 HG1 GLU 53 -23.093 29.552 -16.736 369 HG3 GLU 53 HG2 GLU 53 -21.706 28.614 -17.284 370 H ILE 54 HN ILE 54 -20.397 27.677 -13.700 371 HA ILE 54 HA ILE 54 -19.348 25.377 -15.169 372 HB ILE 54 HB ILE 54 -18.389 26.122 -12.403 373 HG12 ILE 54 HG11 ILE 54 -16.806 25.934 -14.971 374 HG13 ILE 54 HG12 ILE 54 -17.417 27.447 -14.311 375 HG21 ILE 54 HG21 ILE 54 -16.785 24.143 -13.022 376 HG22 ILE 54 HG22 ILE 54 -18.381 23.828 -12.342 377 HG23 ILE 54 HG23 ILE 54 -18.116 23.674 -14.079 378 HD11 ILE 54 HD11 ILE 54 -14.969 26.306 -13.794 379 HD12 ILE 54 HD12 ILE 54 -15.737 27.598 -12.870 380 HD13 ILE 54 HD13 ILE 54 -15.917 25.920 -12.358 381 H LYS 55 HN LYS 55 -21.574 24.767 -15.226 382 HA LYS 55 HA LYS 55 -23.239 24.477 -13.006 383 HB2 LYS 55 HB1 LYS 55 -23.566 24.120 -15.658 384 HB3 LYS 55 HB2 LYS 55 -23.470 22.440 -15.147 385 HG2 LYS 55 HG1 LYS 55 -25.669 22.635 -14.817 386 HG3 LYS 55 HG2 LYS 55 -25.212 23.459 -13.324 387 HD2 LYS 55 HD1 LYS 55 -25.273 25.167 -15.715 388 HD3 LYS 55 HD2 LYS 55 -26.838 24.509 -15.231 389 HE2 LYS 55 HE1 LYS 55 -24.971 25.898 -13.321 390 HE3 LYS 55 HE2 LYS 55 -26.218 26.746 -14.234 391 HZ1 LYS 55 HZ1 LYS 55 -27.891 25.745 -13.057 392 HZ2 LYS 55 HZ2 LYS 55 -26.710 25.878 -11.853 393 HZ3 LYS 55 HZ3 LYS 55 -26.960 24.397 -12.632 394 H ARG 56 HN ARG 56 -20.668 22.452 -14.212 395 HA ARG 56 HA ARG 56 -21.262 20.047 -12.944 396 HB2 ARG 56 HB1 ARG 56 -19.451 20.356 -14.604 397 HB3 ARG 56 HB2 ARG 56 -18.524 21.243 -13.401 398 HG2 ARG 56 HG1 ARG 56 -18.876 19.043 -11.998 399 HG3 ARG 56 HG2 ARG 56 -19.086 18.334 -13.601 400 HD2 ARG 56 HD1 ARG 56 -16.896 18.390 -13.981 401 HD3 ARG 56 HD2 ARG 56 -16.817 20.103 -13.568 402 HE ARG 56 HE ARG 56 -15.986 19.524 -11.522 403 HH11 ARG 56 HH11 ARG 56 -17.507 16.735 -12.946 404 HH12 ARG 56 HH12 ARG 56 -16.980 15.650 -11.703 405 HH21 ARG 56 HH21 ARG 56 -15.286 18.105 -9.879 406 HH22 ARG 56 HH22 ARG 56 -15.717 16.431 -9.958 407 H LEU 57 HN LEU 57 -20.015 23.028 -11.659 408 HA LEU 57 HA LEU 57 -19.619 21.747 -9.040 409 HB2 LEU 57 HB1 LEU 57 -18.402 24.118 -10.368 410 HB3 LEU 57 HB2 LEU 57 -18.527 24.105 -8.610 411 HG LEU 57 HG LEU 57 -16.338 23.367 -9.218 412 HD11 LEU 57 HD11 LEU 57 -17.894 20.889 -8.519 413 HD12 LEU 57 HD12 LEU 57 -17.570 22.188 -7.371 414 HD13 LEU 57 HD13 LEU 57 -16.232 21.287 -8.084 415 HD21 LEU 57 HD21 LEU 57 -16.053 21.296 -10.599 416 HD22 LEU 57 HD22 LEU 57 -16.639 22.704 -11.485 417 HD23 LEU 57 HD23 LEU 57 -17.760 21.421 -11.025 418 H LYS 58 HN LYS 58 -22.122 22.833 -10.448 419 HA LYS 58 HA LYS 58 -24.097 23.722 -9.734 420 HB2 LYS 58 HB1 LYS 58 -22.842 24.354 -7.075 421 HB3 LYS 58 HB2 LYS 58 -24.525 23.994 -7.435 422 HG2 LYS 58 HG1 LYS 58 -23.363 21.691 -8.218 423 HG3 LYS 58 HG2 LYS 58 -22.267 22.183 -6.925 424 HD2 LYS 58 HD1 LYS 58 -23.896 22.032 -5.305 425 HD3 LYS 58 HD2 LYS 58 -25.211 22.296 -6.453 426 HE2 LYS 58 HE1 LYS 58 -25.147 20.091 -7.212 427 HE3 LYS 58 HE2 LYS 58 -23.522 19.823 -6.582 428 HZ1 LYS 58 HZ1 LYS 58 -25.817 19.062 -5.370 429 HZ2 LYS 58 HZ2 LYS 58 -25.441 20.494 -4.551 430 HZ3 LYS 58 HZ3 LYS 58 -24.319 19.229 -4.602 431 H ILE 59 HN ILE 59 -21.820 25.300 -10.840 432 HA ILE 59 HA ILE 59 -22.428 27.954 -9.740 433 HB ILE 59 HB ILE 59 -20.245 27.205 -11.687 434 HG12 ILE 59 HG11 ILE 59 -20.018 27.726 -8.716 435 HG13 ILE 59 HG12 ILE 59 -20.007 26.124 -9.444 436 HG21 ILE 59 HG21 ILE 59 -21.311 29.673 -11.136 437 HG22 ILE 59 HG22 ILE 59 -19.925 29.596 -10.050 438 HG23 ILE 59 HG23 ILE 59 -19.699 29.370 -11.785 439 HD11 ILE 59 HD11 ILE 59 -18.042 28.140 -10.395 440 HD12 ILE 59 HD12 ILE 59 -17.780 27.349 -8.841 441 HD13 ILE 59 HD13 ILE 59 -17.911 26.383 -10.311 442 H SER 60 HN SER 60 -23.986 29.036 -10.733 443 HA SER 60 HA SER 60 -24.540 28.501 -13.558 444 HB2 SER 60 HB1 SER 60 -26.349 30.368 -12.243 445 HB3 SER 60 HB2 SER 60 -26.707 28.850 -13.066 446 HG SER 60 HG SER 60 -25.722 27.939 -10.987 447 H SER 61 HN SER 61 -23.122 30.833 -11.506 448 HA SER 61 HA SER 61 -23.508 33.064 -13.307 449 HB2 SER 61 HB1 SER 61 -23.344 33.979 -11.229 450 HB3 SER 61 HB2 SER 61 -22.350 32.658 -10.613 451 HG SER 61 HG SER 61 -21.598 35.068 -11.622 452 HA PRO 62 HA PRO 62 -19.941 32.508 -15.806 453 HB2 PRO 62 HB1 PRO 62 -19.306 35.090 -16.355 454 HB3 PRO 62 HB2 PRO 62 -20.705 34.273 -17.062 455 HG2 PRO 62 HG1 PRO 62 -20.585 36.151 -14.734 456 HG3 PRO 62 HG2 PRO 62 -21.758 36.090 -16.062 457 HD2 PRO 62 HD1 PRO 62 -22.277 35.062 -13.611 458 HD3 PRO 62 HD2 PRO 62 -22.945 34.364 -15.100 459 H VAL 63 HN VAL 63 -17.992 31.891 -15.136 460 HA VAL 63 HA VAL 63 -16.399 33.733 -13.498 461 HB VAL 63 HB VAL 63 -15.600 31.899 -12.089 462 HG11 VAL 63 HG11 VAL 63 -17.212 32.418 -10.653 463 HG12 VAL 63 HG12 VAL 63 -18.131 33.111 -11.991 464 HG13 VAL 63 HG13 VAL 63 -18.373 31.425 -11.534 465 HG21 VAL 63 HG21 VAL 63 -17.296 30.297 -13.919 466 HG22 VAL 63 HG22 VAL 63 -15.752 29.899 -13.164 467 HG23 VAL 63 HG23 VAL 63 -17.242 29.808 -12.225 468 H ARG 64 HN ARG 64 -14.080 32.640 -13.254 469 HA ARG 64 HA ARG 64 -13.078 32.430 -15.937 470 HB2 ARG 64 HB1 ARG 64 -11.381 31.894 -13.532 471 HB3 ARG 64 HB2 ARG 64 -10.966 32.720 -15.028 472 HG2 ARG 64 HG1 ARG 64 -12.650 33.789 -12.774 473 HG3 ARG 64 HG2 ARG 64 -11.032 34.315 -13.243 474 HD2 ARG 64 HD1 ARG 64 -12.042 34.895 -15.501 475 HD3 ARG 64 HD2 ARG 64 -13.616 34.673 -14.738 476 HE ARG 64 HE ARG 64 -11.921 36.470 -13.291 477 HH11 ARG 64 HH11 ARG 64 -14.139 36.196 -15.960 478 HH12 ARG 64 HH12 ARG 64 -14.587 37.869 -15.929 479 HH21 ARG 64 HH21 ARG 64 -12.503 38.675 -13.240 480 HH22 ARG 64 HH22 ARG 64 -13.656 39.279 -14.382 481 H VAL 65 HN VAL 65 -12.426 30.659 -17.019 482 HA VAL 65 HA VAL 65 -12.134 28.122 -15.595 483 HB VAL 65 HB VAL 65 -13.494 26.943 -17.312 484 HG11 VAL 65 HG11 VAL 65 -15.325 27.078 -16.011 485 HG12 VAL 65 HG12 VAL 65 -14.308 28.121 -15.015 486 HG13 VAL 65 HG13 VAL 65 -15.437 28.830 -16.170 487 HG21 VAL 65 HG21 VAL 65 -15.012 28.181 -18.726 488 HG22 VAL 65 HG22 VAL 65 -14.433 29.710 -18.065 489 HG23 VAL 65 HG23 VAL 65 -13.358 28.707 -19.040 490 H CYS 66 HN CYS 66 -10.572 26.836 -16.414 491 HA CYS 66 HA CYS 66 -8.785 27.898 -18.349 492 HB2 CYS 66 HB1 CYS 66 -7.617 25.702 -18.107 493 HB3 CYS 66 HB2 CYS 66 -7.917 26.518 -16.576 494 H GLN 67 HN GLN 67 -8.263 27.114 -20.414 495 HA GLN 67 HA GLN 67 -10.357 26.561 -22.121 496 HB2 GLN 67 HB1 GLN 67 -8.365 27.361 -23.091 497 HB3 GLN 67 HB2 GLN 67 -7.398 26.084 -22.366 498 HG2 GLN 67 HG1 GLN 67 -8.425 24.444 -23.834 499 HG3 GLN 67 HG2 GLN 67 -9.445 25.697 -24.538 500 HE21 GLN 67 HE21 GLN 67 -6.595 27.299 -26.135 501 HE22 GLN 67 HE22 GLN 67 -7.901 27.726 -25.087 502 H ASN 68 HN ASN 68 -8.438 24.363 -20.214 503 HA ASN 68 HA ASN 68 -9.149 21.976 -21.569 504 HB2 ASN 68 HB1 ASN 68 -7.506 22.693 -19.387 505 HB3 ASN 68 HB2 ASN 68 -8.658 21.510 -18.772 506 HD21 ASN 68 HD21 ASN 68 -5.507 20.162 -20.585 507 HD22 ASN 68 HD22 ASN 68 -5.680 21.640 -19.706 508 H CYS 69 HN CYS 69 -10.623 23.834 -18.987 509 HA CYS 69 HA CYS 69 -12.643 21.804 -18.500 510 HB2 CYS 69 HB1 CYS 69 -11.948 24.444 -17.264 511 HB3 CYS 69 HB2 CYS 69 -13.541 23.749 -16.986 512 H TYR 70 HN TYR 70 -12.538 25.165 -19.665 513 HA TYR 70 HA TYR 70 -15.199 25.572 -20.210 514 HB2 TYR 70 HB1 TYR 70 -13.500 27.319 -20.451 515 HB3 TYR 70 HB2 TYR 70 -12.836 26.497 -21.859 516 HD1 TYR 70 HD1 TYR 70 -15.452 28.687 -20.621 517 HD2 TYR 70 HD2 TYR 70 -14.131 26.419 -23.970 518 HE1 TYR 70 HE1 TYR 70 -16.990 29.944 -22.071 519 HE2 TYR 70 HE2 TYR 70 -15.664 27.671 -25.430 520 HH TYR 70 HH TYR 70 -16.775 30.054 -25.321 521 H TYR 71 HN TYR 71 -12.840 23.765 -22.085 522 HA TYR 71 HA TYR 71 -14.322 23.445 -24.442 523 HB2 TYR 71 HB1 TYR 71 -11.898 22.396 -23.318 524 HB3 TYR 71 HB2 TYR 71 -12.826 21.079 -24.025 525 HD1 TYR 71 HD1 TYR 71 -13.823 21.649 -26.435 526 HD2 TYR 71 HD2 TYR 71 -10.429 23.526 -24.688 527 HE1 TYR 71 HE1 TYR 71 -13.033 22.289 -28.674 528 HE2 TYR 71 HE2 TYR 71 -9.629 24.173 -26.922 529 HH TYR 71 HH TYR 71 -10.875 24.584 -29.275 530 H ASN 72 HN ASN 72 -14.279 21.582 -21.443 531 HA ASN 72 HA ASN 72 -16.170 19.643 -22.455 532 HB2 ASN 72 HB1 ASN 72 -14.511 19.962 -20.045 533 HB3 ASN 72 HB2 ASN 72 -16.082 19.221 -19.753 534 HD21 ASN 72 HD21 ASN 72 -15.175 16.145 -21.013 535 HD22 ASN 72 HD22 ASN 72 -16.305 17.129 -20.152 536 H LEU 73 HN LEU 73 -16.234 22.612 -20.677 537 HA LEU 73 HA LEU 73 -18.739 22.318 -19.409 538 HB2 LEU 73 HB1 LEU 73 -17.086 24.685 -20.217 539 HB3 LEU 73 HB2 LEU 73 -18.684 24.891 -19.501 540 HG LEU 73 HG LEU 73 -16.434 23.402 -18.157 541 HD11 LEU 73 HD11 LEU 73 -17.089 25.932 -16.963 542 HD12 LEU 73 HD12 LEU 73 -16.577 26.153 -18.636 543 HD13 LEU 73 HD13 LEU 73 -15.525 25.314 -17.496 544 HD21 LEU 73 HD21 LEU 73 -19.217 24.161 -17.442 545 HD22 LEU 73 HD22 LEU 73 -17.992 24.194 -16.173 546 HD23 LEU 73 HD23 LEU 73 -18.306 22.700 -17.058 547 H GLN 74 HN GLN 74 -17.798 23.280 -22.635 548 HA GLN 74 HA GLN 74 -20.461 24.178 -23.331 549 HB2 GLN 74 HB1 GLN 74 -18.111 23.707 -25.167 550 HB3 GLN 74 HB2 GLN 74 -19.548 24.661 -25.507 551 HG2 GLN 74 HG1 GLN 74 -18.366 25.692 -23.150 552 HG3 GLN 74 HG2 GLN 74 -17.094 25.488 -24.353 553 HE21 GLN 74 HE21 GLN 74 -19.871 28.396 -24.713 554 HE22 GLN 74 HE22 GLN 74 -19.900 27.239 -23.431 555 H HIS 75 HN HIS 75 -18.521 21.303 -23.614 556 HA HIS 75 HA HIS 75 -20.420 20.049 -25.436 557 HB2 HIS 75 HB1 HIS 75 -17.645 19.681 -24.805 558 HB3 HIS 75 HB2 HIS 75 -18.504 18.166 -24.541 559 HD1 HIS 75 HD1 HIS 75 -17.008 20.189 -27.151 560 HD2 HIS 75 HD2 HIS 75 -20.002 17.317 -26.929 561 HE1 HIS 75 HE1 HIS 75 -17.350 19.390 -29.511 562 H GLU 76 HN GLU 76 -20.747 20.748 -22.416 563 HA GLU 76 HA GLU 76 -21.120 18.250 -21.104 564 HB2 GLU 76 HB1 GLU 76 -22.036 19.497 -19.304 565 HB3 GLU 76 HB2 GLU 76 -20.751 20.486 -19.984 566 HG2 GLU 76 HG1 GLU 76 -22.539 21.682 -21.303 567 HG3 GLU 76 HG2 GLU 76 -23.715 20.836 -20.299 568 H ARG 77 HN ARG 77 -23.077 20.218 -23.183 569 HA ARG 77 HA ARG 77 -25.577 19.001 -22.468 570 HB2 ARG 77 HB1 ARG 77 -24.968 20.526 -24.999 571 HB3 ARG 77 HB2 ARG 77 -26.532 20.300 -24.227 572 HG2 ARG 77 HG1 ARG 77 -24.876 21.523 -22.316 573 HG3 ARG 77 HG2 ARG 77 -24.605 22.372 -23.839 574 HD2 ARG 77 HD1 ARG 77 -27.308 22.117 -23.849 575 HD3 ARG 77 HD2 ARG 77 -26.987 22.272 -22.122 576 HE ARG 77 HE ARG 77 -26.699 24.312 -24.134 577 HH11 ARG 77 HH11 ARG 77 -25.746 23.241 -20.961 578 HH12 ARG 77 HH12 ARG 77 -25.324 24.828 -20.409 579 HH21 ARG 77 HH21 ARG 77 -26.147 26.406 -23.419 580 HH22 ARG 77 HH22 ARG 77 -25.553 26.628 -21.808 581 H GLY 78 HN GLY 78 -23.058 18.423 -24.823 582 HA2 GLY 78 HA2 GLY 78 -24.481 15.976 -25.634 583 HA3 GLY 78 HA1 GLY 78 -23.824 17.048 -26.861 Start of MODEL 13 1 H1 SER 1 HN SER 1 12.739 -4.713 -1.710 2 HA SER 1 HA SER 1 14.723 -4.251 0.411 3 HB2 SER 1 HB1 SER 1 16.371 -3.516 -1.157 4 HB3 SER 1 HB2 SER 1 15.780 -5.072 -1.741 5 HG SER 1 HG SER 1 15.352 -4.050 -3.517 6 H ASN 2 HN ASN 2 12.082 -3.223 0.243 7 HA ASN 2 HA ASN 2 12.408 -0.451 -0.623 8 HB2 ASN 2 HB1 ASN 2 9.977 -1.940 0.394 9 HB3 ASN 2 HB2 ASN 2 9.979 -0.262 -0.141 10 HD21 ASN 2 HD21 ASN 2 10.282 -1.046 -3.580 11 HD22 ASN 2 HD22 ASN 2 10.703 0.121 -2.378 12 H ALA 3 HN ALA 3 11.013 1.058 0.995 13 HA ALA 3 HA ALA 3 11.556 0.499 3.779 14 HB1 ALA 3 HB1 ALA 3 13.449 1.629 4.011 15 HB2 ALA 3 HB2 ALA 3 13.494 1.877 2.265 16 HB3 ALA 3 HB3 ALA 3 12.711 3.067 3.305 17 H GLY 4 HN GLY 4 11.117 3.454 1.821 18 HA2 GLY 4 HA2 GLY 4 9.218 4.800 1.649 19 HA3 GLY 4 HA1 GLY 4 8.405 3.760 2.809 20 H ARG 5 HN ARG 5 8.114 6.465 2.999 21 HA ARG 5 HA ARG 5 8.798 6.984 5.658 22 HB2 ARG 5 HB1 ARG 5 10.905 7.555 3.809 23 HB3 ARG 5 HB2 ARG 5 10.301 9.073 4.458 24 HG2 ARG 5 HG1 ARG 5 10.510 7.854 6.752 25 HG3 ARG 5 HG2 ARG 5 11.616 6.801 5.867 26 HD2 ARG 5 HD1 ARG 5 12.007 9.700 5.491 27 HD3 ARG 5 HD2 ARG 5 12.370 9.075 7.099 28 HE ARG 5 HE ARG 5 13.608 7.389 5.278 29 HH11 ARG 5 HH11 ARG 5 13.778 10.732 6.236 30 HH12 ARG 5 HH12 ARG 5 15.458 10.894 5.846 31 HH21 ARG 5 HH21 ARG 5 15.820 7.590 4.761 32 HH22 ARG 5 HH22 ARG 5 16.619 9.106 5.006 33 H SER 6 HN SER 6 8.256 9.232 6.315 34 HA SER 6 HA SER 6 6.824 10.999 6.351 35 HB2 SER 6 HB1 SER 6 8.155 11.195 3.943 36 HB3 SER 6 HB2 SER 6 6.461 11.265 3.456 37 HG SER 6 HG SER 6 7.900 12.995 5.146 38 H ALA 7 HN ALA 7 4.639 11.792 5.222 39 HA ALA 7 HA ALA 7 2.709 9.857 5.791 40 HB1 ALA 7 HB1 ALA 7 2.737 12.587 5.114 41 HB2 ALA 7 HB2 ALA 7 1.641 11.797 3.980 42 HB3 ALA 7 HB3 ALA 7 1.382 11.633 5.716 43 H ALA 8 HN ALA 8 4.257 10.741 2.766 44 HA ALA 8 HA ALA 8 4.267 9.774 0.706 45 HB1 ALA 8 HB1 ALA 8 3.111 7.373 2.117 46 HB2 ALA 8 HB2 ALA 8 3.938 7.390 0.558 47 HB3 ALA 8 HB3 ALA 8 4.829 7.764 2.033 48 H ASP 9 HN ASP 9 1.875 11.211 1.710 49 HA ASP 9 HA ASP 9 0.141 10.592 -0.492 50 HB2 ASP 9 HB1 ASP 9 -0.457 9.008 1.500 51 HB3 ASP 9 HB2 ASP 9 -1.198 10.451 2.188 52 H HIS 10 HN HIS 10 1.705 12.827 0.628 53 HA HIS 10 HA HIS 10 -0.093 14.921 0.085 54 HB2 HIS 10 HB1 HIS 10 -0.985 14.376 2.310 55 HB3 HIS 10 HB2 HIS 10 0.617 14.593 3.008 56 HD1 HIS 10 HD1 HIS 10 1.009 16.828 3.981 57 HD2 HIS 10 HD2 HIS 10 -1.903 16.926 1.019 58 HE1 HIS 10 HE1 HIS 10 0.171 19.198 3.941 59 H TRP 11 HN TRP 11 1.808 15.192 -1.269 60 HA TRP 11 HA TRP 11 4.101 16.379 0.141 61 HB2 TRP 11 HB1 TRP 11 4.171 14.400 -1.688 62 HB3 TRP 11 HB2 TRP 11 4.294 15.793 -2.760 63 HD1 TRP 11 HD1 TRP 11 6.330 17.635 -1.826 64 HE1 TRP 11 HE1 TRP 11 8.732 17.002 -1.150 65 HE3 TRP 11 HE3 TRP 11 5.620 12.664 -0.869 66 HZ2 TRP 11 HZ2 TRP 11 10.139 14.699 -0.323 67 HZ3 TRP 11 HZ3 TRP 11 7.546 11.316 -0.141 68 HH2 TRP 11 HH2 TRP 11 9.758 12.315 0.126 69 H VAL 12 HN VAL 12 1.542 17.720 -0.439 70 HA VAL 12 HA VAL 12 2.549 20.209 -1.288 71 HB VAL 12 HB VAL 12 2.420 18.949 -3.501 72 HG11 VAL 12 HG11 VAL 12 -0.537 19.410 -3.127 73 HG12 VAL 12 HG12 VAL 12 0.258 18.723 -4.545 74 HG13 VAL 12 HG13 VAL 12 0.259 17.841 -3.017 75 HG21 VAL 12 HG21 VAL 12 2.250 20.943 -4.518 76 HG22 VAL 12 HG22 VAL 12 0.648 21.259 -3.851 77 HG23 VAL 12 HG23 VAL 12 2.086 21.581 -2.882 78 H LYS 13 HN LYS 13 0.876 21.878 -1.387 79 HA LYS 13 HA LYS 13 -1.833 21.314 -0.763 80 HB2 LYS 13 HB1 LYS 13 -0.584 20.780 1.412 81 HB3 LYS 13 HB2 LYS 13 -0.298 22.511 1.536 82 HG2 LYS 13 HG1 LYS 13 -2.917 22.603 1.182 83 HG3 LYS 13 HG2 LYS 13 -2.814 20.972 1.849 84 HD2 LYS 13 HD1 LYS 13 -3.061 22.207 3.771 85 HD3 LYS 13 HD2 LYS 13 -1.301 22.144 3.647 86 HE2 LYS 13 HE1 LYS 13 -2.355 24.369 2.150 87 HE3 LYS 13 HE2 LYS 13 -2.918 24.421 3.820 88 HZ1 LYS 13 HZ1 LYS 13 -0.864 24.836 4.588 89 HZ2 LYS 13 HZ2 LYS 13 -0.569 25.385 3.016 90 HZ3 LYS 13 HZ3 LYS 13 -0.102 23.823 3.468 91 H ASP 14 HN ASP 14 -0.184 22.978 -2.514 92 HA ASP 14 HA ASP 14 -1.745 25.309 -2.522 93 HB2 ASP 14 HB1 ASP 14 0.001 25.592 -0.536 94 HB3 ASP 14 HB2 ASP 14 1.059 26.077 -1.858 95 H GLU 15 HN GLU 15 -1.941 25.301 -4.673 96 HA GLU 15 HA GLU 15 0.019 24.471 -6.499 97 HB2 GLU 15 HB1 GLU 15 -1.416 25.700 -8.190 98 HB3 GLU 15 HB2 GLU 15 -2.231 24.468 -7.236 99 HG2 GLU 15 HG1 GLU 15 -2.324 27.179 -6.114 100 HG3 GLU 15 HG2 GLU 15 -3.174 26.963 -7.643 101 H GLY 16 HN GLY 16 -0.340 27.407 -4.782 102 HA2 GLY 16 HA2 GLY 16 2.068 28.515 -5.271 103 HA3 GLY 16 HA1 GLY 16 1.139 29.023 -6.674 104 H GLY 17 HN GLY 17 -0.136 30.776 -6.513 105 HA2 GLY 17 HA2 GLY 17 -1.611 31.693 -4.408 106 HA3 GLY 17 HA1 GLY 17 -0.003 32.329 -4.096 107 H ASP 18 HN ASP 18 0.805 32.847 -6.728 108 HA ASP 18 HA ASP 18 -1.187 34.544 -7.961 109 HB2 ASP 18 HB1 ASP 18 1.349 35.773 -6.861 110 HB3 ASP 18 HB2 ASP 18 0.088 36.606 -7.765 111 H SER 19 HN SER 19 0.083 32.285 -8.930 112 HA SER 19 HA SER 19 1.512 33.421 -11.206 113 HB2 SER 19 HB1 SER 19 2.627 31.000 -9.789 114 HB3 SER 19 HB2 SER 19 3.380 31.955 -11.067 115 HG SER 19 HG SER 19 3.178 32.464 -8.341 116 H CYS 20 HN CYS 20 1.062 32.422 -13.098 117 HA CYS 20 HA CYS 20 -1.173 30.842 -13.404 118 HB2 CYS 20 HB1 CYS 20 -0.004 32.101 -15.220 119 HB3 CYS 20 HB2 CYS 20 1.225 30.840 -15.248 120 H SER 21 HN SER 21 -1.450 28.622 -14.016 121 HA SER 21 HA SER 21 0.447 26.865 -12.631 122 HB2 SER 21 HB1 SER 21 -2.199 26.989 -12.281 123 HB3 SER 21 HB2 SER 21 -2.171 25.841 -13.619 124 HG SER 21 HG SER 21 -1.266 25.558 -11.005 125 H GLY 22 HN GLY 22 -0.996 27.501 -15.746 126 HA2 GLY 22 HA2 GLY 22 0.253 25.114 -16.897 127 HA3 GLY 22 HA1 GLY 22 -0.895 26.172 -17.704 128 H CYS 23 HN CYS 23 1.161 28.229 -16.260 129 HA CYS 23 HA CYS 23 3.173 28.142 -18.395 130 HB2 CYS 23 HB1 CYS 23 1.523 30.554 -17.616 131 HB3 CYS 23 HB2 CYS 23 2.958 30.626 -18.635 132 H SER 24 HN SER 24 2.217 29.070 -15.185 133 HA SER 24 HA SER 24 3.451 29.424 -13.298 134 HB2 SER 24 HB1 SER 24 6.049 29.175 -14.752 135 HB3 SER 24 HB2 SER 24 5.599 28.589 -13.150 136 HG SER 24 HG SER 24 5.781 26.873 -14.630 137 H VAL 25 HN VAL 25 3.132 31.374 -15.763 138 HA VAL 25 HA VAL 25 5.166 33.331 -15.397 139 HB VAL 25 HB VAL 25 4.044 33.347 -17.488 140 HG11 VAL 25 HG11 VAL 25 1.451 34.165 -17.163 141 HG12 VAL 25 HG12 VAL 25 1.967 32.509 -17.489 142 HG13 VAL 25 HG13 VAL 25 1.659 33.028 -15.831 143 HG21 VAL 25 HG21 VAL 25 2.992 35.715 -15.946 144 HG22 VAL 25 HG22 VAL 25 4.646 35.558 -16.538 145 HG23 VAL 25 HG23 VAL 25 3.304 35.632 -17.679 146 H ARG 26 HN ARG 26 5.400 34.670 -13.743 147 HA ARG 26 HA ARG 26 3.556 34.894 -11.633 148 HB2 ARG 26 HB1 ARG 26 5.696 36.923 -12.259 149 HB3 ARG 26 HB2 ARG 26 5.039 36.490 -10.686 150 HG2 ARG 26 HG1 ARG 26 6.801 34.794 -12.439 151 HG3 ARG 26 HG2 ARG 26 7.236 35.559 -10.910 152 HD2 ARG 26 HD1 ARG 26 4.936 34.032 -10.398 153 HD3 ARG 26 HD2 ARG 26 5.987 33.018 -11.386 154 HE ARG 26 HE ARG 26 7.385 34.285 -9.237 155 HH11 ARG 26 HH11 ARG 26 5.347 31.592 -10.083 156 HH12 ARG 26 HH12 ARG 26 5.914 30.588 -8.790 157 HH21 ARG 26 HH21 ARG 26 8.140 32.972 -7.531 158 HH22 ARG 26 HH22 ARG 26 7.502 31.375 -7.338 159 H PHE 27 HN PHE 27 1.614 35.797 -11.799 160 HA PHE 27 HA PHE 27 0.756 37.568 -13.754 161 HB2 PHE 27 HB1 PHE 27 -0.328 37.305 -10.941 162 HB3 PHE 27 HB2 PHE 27 -1.183 37.984 -12.322 163 HD1 PHE 27 HD1 PHE 27 -1.066 35.236 -10.325 164 HD2 PHE 27 HD2 PHE 27 -1.004 36.246 -14.459 165 HE1 PHE 27 HE1 PHE 27 -1.930 33.000 -10.880 166 HE2 PHE 27 HE2 PHE 27 -1.868 34.012 -15.021 167 HZ PHE 27 HZ PHE 27 -2.333 32.386 -13.231 168 H SER 28 HN SER 28 0.487 39.784 -13.861 169 HA SER 28 HA SER 28 1.402 41.474 -11.696 170 HB2 SER 28 HB1 SER 28 2.814 41.560 -14.373 171 HB3 SER 28 HB2 SER 28 3.129 42.607 -12.988 172 HG SER 28 HG SER 28 4.561 41.115 -12.555 173 H LEU 29 HN LEU 29 1.684 43.847 -13.052 174 HA LEU 29 HA LEU 29 -0.989 44.618 -13.468 175 HB2 LEU 29 HB1 LEU 29 1.402 46.127 -14.482 176 HB3 LEU 29 HB2 LEU 29 -0.156 46.770 -13.966 177 HG LEU 29 HG LEU 29 0.735 45.588 -11.676 178 HD11 LEU 29 HD11 LEU 29 2.983 45.693 -11.410 179 HD12 LEU 29 HD12 LEU 29 3.171 47.024 -12.551 180 HD13 LEU 29 HD13 LEU 29 2.947 45.379 -13.145 181 HD21 LEU 29 HD21 LEU 29 1.442 47.962 -11.073 182 HD22 LEU 29 HD22 LEU 29 -0.218 47.731 -11.624 183 HD23 LEU 29 HD23 LEU 29 0.993 48.391 -12.724 184 H THR 30 HN THR 30 1.220 43.090 -15.529 185 HA THR 30 HA THR 30 -0.274 43.931 -17.922 186 HB THR 30 HB THR 30 1.835 44.299 -18.651 187 HG1 THR 30 HG1 THR 30 2.594 42.522 -19.796 188 HG21 THR 30 HG21 THR 30 2.889 43.957 -16.495 189 HG22 THR 30 HG22 THR 30 3.846 43.171 -17.750 190 HG23 THR 30 HG23 THR 30 2.806 42.208 -16.701 191 H GLU 31 HN GLU 31 0.154 41.376 -15.753 192 HA GLU 31 HA GLU 31 -1.117 39.513 -17.648 193 HB2 GLU 31 HB1 GLU 31 1.277 38.943 -17.076 194 HB3 GLU 31 HB2 GLU 31 0.745 38.694 -15.419 195 HG2 GLU 31 HG1 GLU 31 0.834 36.568 -16.437 196 HG3 GLU 31 HG2 GLU 31 -0.871 36.992 -16.294 197 H ARG 32 HN ARG 32 -3.180 39.368 -17.052 198 HA ARG 32 HA ARG 32 -4.044 39.775 -14.351 199 HB2 ARG 32 HB1 ARG 32 -5.387 39.106 -16.940 200 HB3 ARG 32 HB2 ARG 32 -6.267 38.881 -15.434 201 HG2 ARG 32 HG1 ARG 32 -5.603 41.311 -14.924 202 HG3 ARG 32 HG2 ARG 32 -5.233 41.413 -16.647 203 HD2 ARG 32 HD1 ARG 32 -7.750 40.171 -16.434 204 HD3 ARG 32 HD2 ARG 32 -7.772 41.542 -15.326 205 HE ARG 32 HE ARG 32 -6.727 42.556 -17.630 206 HH11 ARG 32 HH11 ARG 32 -9.643 40.841 -16.807 207 HH12 ARG 32 HH12 ARG 32 -10.590 41.590 -18.049 208 HH21 ARG 32 HH21 ARG 32 -7.963 43.549 -19.270 209 HH22 ARG 32 HH22 ARG 32 -9.633 43.130 -19.450 210 H ARG 33 HN ARG 33 -5.363 38.204 -13.156 211 HA ARG 33 HA ARG 33 -4.586 35.416 -13.685 212 HB2 ARG 33 HB1 ARG 33 -3.972 35.031 -11.463 213 HB3 ARG 33 HB2 ARG 33 -3.282 36.610 -11.810 214 HG2 ARG 33 HG1 ARG 33 -4.247 37.221 -9.891 215 HG3 ARG 33 HG2 ARG 33 -5.730 37.292 -10.844 216 HD2 ARG 33 HD1 ARG 33 -6.502 35.271 -10.037 217 HD3 ARG 33 HD2 ARG 33 -4.886 34.703 -9.621 218 HE ARG 33 HE ARG 33 -6.669 36.121 -7.933 219 HH11 ARG 33 HH11 ARG 33 -3.294 35.786 -8.719 220 HH12 ARG 33 HH12 ARG 33 -2.746 36.272 -7.149 221 HH21 ARG 33 HH21 ARG 33 -5.960 36.763 -5.862 222 HH22 ARG 33 HH22 ARG 33 -4.263 36.826 -5.524 223 H HIS 34 HN HIS 34 -5.984 33.825 -12.593 224 HA HIS 34 HA HIS 34 -8.511 34.629 -11.534 225 HB2 HIS 34 HB1 HIS 34 -9.584 33.220 -13.591 226 HB3 HIS 34 HB2 HIS 34 -9.498 34.979 -13.542 227 HD1 HIS 34 HD1 HIS 34 -7.794 36.126 -15.101 228 HD2 HIS 34 HD2 HIS 34 -7.849 31.984 -15.411 229 HE1 HIS 34 HE1 HIS 34 -6.485 35.591 -17.181 230 H HIS 35 HN HIS 35 -9.042 33.112 -10.117 231 HA HIS 35 HA HIS 35 -7.768 30.514 -10.234 232 HB2 HIS 35 HB1 HIS 35 -8.893 30.167 -8.026 233 HB3 HIS 35 HB2 HIS 35 -7.850 31.585 -8.079 234 HD1 HIS 35 HD1 HIS 35 -11.377 30.541 -7.623 235 HD2 HIS 35 HD2 HIS 35 -9.221 34.071 -8.016 236 HE1 HIS 35 HE1 HIS 35 -12.948 32.372 -6.912 237 H CYS 36 HN CYS 36 -8.635 28.976 -11.455 238 HA CYS 36 HA CYS 36 -11.215 28.946 -12.496 239 HB2 CYS 36 HB1 CYS 36 -9.291 27.606 -13.350 240 HB3 CYS 36 HB2 CYS 36 -9.468 26.536 -11.963 241 H ARG 37 HN ARG 37 -13.115 28.650 -11.559 242 HA ARG 37 HA ARG 37 -13.342 27.755 -8.855 243 HB2 ARG 37 HB1 ARG 37 -15.645 28.039 -10.770 244 HB3 ARG 37 HB2 ARG 37 -15.635 28.269 -9.027 245 HG2 ARG 37 HG1 ARG 37 -14.303 30.058 -11.051 246 HG3 ARG 37 HG2 ARG 37 -15.812 30.391 -10.199 247 HD2 ARG 37 HD1 ARG 37 -13.920 29.752 -8.225 248 HD3 ARG 37 HD2 ARG 37 -13.104 30.834 -9.353 249 HE ARG 37 HE ARG 37 -14.458 32.546 -8.646 250 HH11 ARG 37 HH11 ARG 37 -15.749 29.512 -7.528 251 HH12 ARG 37 HH12 ARG 37 -16.937 30.246 -6.503 252 HH21 ARG 37 HH21 ARG 37 -16.019 33.524 -7.301 253 HH22 ARG 37 HH22 ARG 37 -17.091 32.528 -6.376 254 H ASN 38 HN ASN 38 -12.813 26.057 -11.594 255 HA ASN 38 HA ASN 38 -14.567 23.816 -10.920 256 HB2 ASN 38 HB1 ASN 38 -13.926 24.799 -13.338 257 HB3 ASN 38 HB2 ASN 38 -12.639 23.608 -13.171 258 HD21 ASN 38 HD21 ASN 38 -15.201 20.962 -12.749 259 HD22 ASN 38 HD22 ASN 38 -13.970 21.646 -11.748 260 H CYS 39 HN CYS 39 -11.109 24.453 -11.482 261 HA CYS 39 HA CYS 39 -10.474 21.989 -10.014 262 HB2 CYS 39 HB1 CYS 39 -8.407 23.579 -11.479 263 HB3 CYS 39 HB2 CYS 39 -8.488 21.842 -11.198 264 H GLY 40 HN GLY 40 -9.851 25.456 -10.121 265 HA2 GLY 40 HA2 GLY 40 -9.530 26.762 -8.167 266 HA3 GLY 40 HA1 GLY 40 -8.988 25.318 -7.323 267 H GLN 41 HN GLN 41 -7.771 26.085 -10.490 268 HA GLN 41 HA GLN 41 -5.164 26.703 -9.271 269 HB2 GLN 41 HB1 GLN 41 -5.649 25.651 -12.058 270 HB3 GLN 41 HB2 GLN 41 -4.111 25.771 -11.214 271 HG2 GLN 41 HG1 GLN 41 -5.676 24.211 -9.547 272 HG3 GLN 41 HG2 GLN 41 -6.090 23.666 -11.172 273 HE21 GLN 41 HE21 GLN 41 -3.056 22.081 -11.772 274 HE22 GLN 41 HE22 GLN 41 -4.571 22.620 -12.402 275 H LEU 42 HN LEU 42 -4.017 28.476 -9.929 276 HA LEU 42 HA LEU 42 -5.518 30.582 -11.182 277 HB2 LEU 42 HB1 LEU 42 -3.192 30.347 -9.529 278 HB3 LEU 42 HB2 LEU 42 -2.814 31.337 -10.938 279 HG LEU 42 HG LEU 42 -4.593 32.879 -10.375 280 HD11 LEU 42 HD11 LEU 42 -5.118 31.123 -7.982 281 HD12 LEU 42 HD12 LEU 42 -6.145 31.227 -9.411 282 HD13 LEU 42 HD13 LEU 42 -5.929 32.639 -8.376 283 HD21 LEU 42 HD21 LEU 42 -3.696 33.236 -7.835 284 HD22 LEU 42 HD22 LEU 42 -2.847 33.774 -9.285 285 HD23 LEU 42 HD23 LEU 42 -2.409 32.244 -8.522 286 H PHE 43 HN PHE 43 -5.444 31.240 -13.238 287 HA PHE 43 HA PHE 43 -3.257 30.277 -14.950 288 HB2 PHE 43 HB1 PHE 43 -6.207 30.230 -15.617 289 HB3 PHE 43 HB2 PHE 43 -4.917 29.913 -16.773 290 HD1 PHE 43 HD1 PHE 43 -7.142 28.482 -14.440 291 HD2 PHE 43 HD2 PHE 43 -3.275 28.001 -16.153 292 HE1 PHE 43 HE1 PHE 43 -7.154 26.108 -13.793 293 HE2 PHE 43 HE2 PHE 43 -3.282 25.627 -15.510 294 HZ PHE 43 HZ PHE 43 -5.223 24.677 -14.329 295 H CYS 44 HN CYS 44 -2.926 31.545 -16.892 296 HA CYS 44 HA CYS 44 -3.412 34.368 -16.391 297 HB2 CYS 44 HB1 CYS 44 -1.815 34.732 -18.243 298 HB3 CYS 44 HB2 CYS 44 -1.149 33.698 -16.983 299 H GLN 45 HN GLN 45 -4.088 35.796 -18.159 300 HA GLN 45 HA GLN 45 -6.547 35.079 -19.237 301 HB2 GLN 45 HB1 GLN 45 -6.224 37.369 -19.080 302 HB3 GLN 45 HB2 GLN 45 -4.612 37.294 -19.780 303 HG2 GLN 45 HG1 GLN 45 -5.395 37.264 -21.933 304 HG3 GLN 45 HG2 GLN 45 -6.952 36.578 -21.472 305 HE21 GLN 45 HE21 GLN 45 -7.028 40.293 -22.343 306 HE22 GLN 45 HE22 GLN 45 -6.148 38.989 -23.057 307 H LYS 46 HN LYS 46 -3.369 34.453 -20.387 308 HA LYS 46 HA LYS 46 -4.250 33.884 -23.101 309 HB2 LYS 46 HB1 LYS 46 -1.808 34.640 -21.935 310 HB3 LYS 46 HB2 LYS 46 -1.566 32.996 -22.511 311 HG2 LYS 46 HG1 LYS 46 -2.494 35.350 -24.141 312 HG3 LYS 46 HG2 LYS 46 -0.914 34.567 -24.215 313 HD2 LYS 46 HD1 LYS 46 -3.535 33.213 -24.847 314 HD3 LYS 46 HD2 LYS 46 -2.437 33.888 -26.052 315 HE2 LYS 46 HE1 LYS 46 -1.741 31.710 -24.084 316 HE3 LYS 46 HE2 LYS 46 -2.167 31.453 -25.775 317 HZ1 LYS 46 HZ1 LYS 46 0.293 32.510 -24.619 318 HZ2 LYS 46 HZ2 LYS 46 -0.213 33.188 -26.083 319 HZ3 LYS 46 HZ3 LYS 46 0.072 31.524 -25.975 320 H CYS 47 HN CYS 47 -3.922 32.264 -20.132 321 HA CYS 47 HA CYS 47 -3.458 29.640 -21.240 322 HB2 CYS 47 HB1 CYS 47 -3.424 30.842 -18.636 323 HB3 CYS 47 HB2 CYS 47 -4.477 29.432 -18.605 324 H SER 48 HN SER 48 -6.185 31.259 -19.619 325 HA SER 48 HA SER 48 -7.972 29.142 -20.565 326 HB2 SER 48 HB1 SER 48 -8.853 31.428 -18.830 327 HB3 SER 48 HB2 SER 48 -9.476 29.779 -18.899 328 HG SER 48 HG SER 48 -7.399 30.816 -17.435 329 H ARG 49 HN ARG 49 -7.457 32.624 -20.786 330 HA ARG 49 HA ARG 49 -8.581 34.238 -21.997 331 HB2 ARG 49 HB1 ARG 49 -8.510 33.626 -24.484 332 HB3 ARG 49 HB2 ARG 49 -6.985 33.632 -23.609 333 HG2 ARG 49 HG1 ARG 49 -7.276 31.144 -23.320 334 HG3 ARG 49 HG2 ARG 49 -8.611 31.258 -24.469 335 HD2 ARG 49 HD1 ARG 49 -6.048 32.512 -25.257 336 HD3 ARG 49 HD2 ARG 49 -6.090 30.751 -25.205 337 HE ARG 49 HE ARG 49 -8.314 31.830 -26.624 338 HH11 ARG 49 HH11 ARG 49 -4.932 31.050 -26.891 339 HH12 ARG 49 HH12 ARG 49 -4.983 30.837 -28.609 340 HH21 ARG 49 HH21 ARG 49 -8.394 31.552 -28.886 341 HH22 ARG 49 HH22 ARG 49 -6.953 31.123 -29.743 342 H PHE 50 HN PHE 50 -10.373 32.284 -20.749 343 HA PHE 50 HA PHE 50 -12.686 32.738 -22.483 344 HB2 PHE 50 HB1 PHE 50 -11.944 30.078 -21.253 345 HB3 PHE 50 HB2 PHE 50 -13.530 30.438 -21.929 346 HD1 PHE 50 HD1 PHE 50 -10.966 28.524 -22.645 347 HD2 PHE 50 HD2 PHE 50 -12.897 31.914 -24.347 348 HE1 PHE 50 HE1 PHE 50 -10.160 27.860 -24.873 349 HE2 PHE 50 HE2 PHE 50 -12.095 31.255 -26.578 350 HZ PHE 50 HZ PHE 50 -10.725 29.226 -26.844 351 H GLN 51 HN GLN 51 -14.763 32.153 -21.227 352 HA GLN 51 HA GLN 51 -14.630 32.339 -18.367 353 HB2 GLN 51 HB1 GLN 51 -15.131 34.746 -20.025 354 HB3 GLN 51 HB2 GLN 51 -16.179 34.519 -18.631 355 HG2 GLN 51 HG1 GLN 51 -13.746 34.064 -17.530 356 HG3 GLN 51 HG2 GLN 51 -13.346 35.255 -18.767 357 HE21 GLN 51 HE21 GLN 51 -14.139 37.691 -16.428 358 HE22 GLN 51 HE22 GLN 51 -12.934 36.935 -17.409 359 H SER 52 HN SER 52 -16.352 31.352 -17.525 360 HA SER 52 HA SER 52 -18.992 31.592 -18.477 361 HB2 SER 52 HB1 SER 52 -18.085 30.209 -20.336 362 HB3 SER 52 HB2 SER 52 -17.664 28.959 -19.166 363 HG SER 52 HG SER 52 -19.640 28.409 -19.963 364 H GLU 53 HN GLU 53 -20.393 29.714 -17.510 365 HA GLU 53 HA GLU 53 -19.699 29.588 -14.709 366 HB2 GLU 53 HB1 GLU 53 -21.941 28.581 -14.442 367 HB3 GLU 53 HB2 GLU 53 -21.987 30.112 -15.306 368 HG2 GLU 53 HG1 GLU 53 -23.452 28.736 -16.477 369 HG3 GLU 53 HG2 GLU 53 -21.974 28.720 -17.438 370 H ILE 54 HN ILE 54 -20.388 27.390 -13.610 371 HA ILE 54 HA ILE 54 -19.281 25.135 -15.127 372 HB ILE 54 HB ILE 54 -18.470 25.812 -12.298 373 HG12 ILE 54 HG11 ILE 54 -16.651 25.762 -14.693 374 HG13 ILE 54 HG12 ILE 54 -17.534 27.221 -14.257 375 HG21 ILE 54 HG21 ILE 54 -18.509 23.452 -12.562 376 HG22 ILE 54 HG22 ILE 54 -17.733 23.551 -14.142 377 HG23 ILE 54 HG23 ILE 54 -16.823 23.954 -12.686 378 HD11 ILE 54 HD11 ILE 54 -16.181 26.097 -11.974 379 HD12 ILE 54 HD12 ILE 54 -15.064 26.413 -13.302 380 HD13 ILE 54 HD13 ILE 54 -16.074 27.714 -12.669 381 H LYS 55 HN LYS 55 -21.444 24.394 -15.297 382 HA LYS 55 HA LYS 55 -23.239 24.031 -13.206 383 HB2 LYS 55 HB1 LYS 55 -22.923 23.036 -15.934 384 HB3 LYS 55 HB2 LYS 55 -23.713 21.875 -14.875 385 HG2 LYS 55 HG1 LYS 55 -24.586 24.721 -15.334 386 HG3 LYS 55 HG2 LYS 55 -25.334 23.278 -16.024 387 HD2 LYS 55 HD1 LYS 55 -26.619 23.110 -14.218 388 HD3 LYS 55 HD2 LYS 55 -25.175 22.880 -13.230 389 HE2 LYS 55 HE1 LYS 55 -25.058 25.517 -13.451 390 HE3 LYS 55 HE2 LYS 55 -26.792 25.330 -13.706 391 HZ1 LYS 55 HZ1 LYS 55 -25.269 24.326 -11.362 392 HZ2 LYS 55 HZ2 LYS 55 -26.932 24.136 -11.607 393 HZ3 LYS 55 HZ3 LYS 55 -26.283 25.681 -11.376 394 H ARG 56 HN ARG 56 -20.534 22.047 -14.240 395 HA ARG 56 HA ARG 56 -21.126 19.730 -12.770 396 HB2 ARG 56 HB1 ARG 56 -19.277 20.236 -14.571 397 HB3 ARG 56 HB2 ARG 56 -18.298 20.620 -13.162 398 HG2 ARG 56 HG1 ARG 56 -18.193 18.460 -12.467 399 HG3 ARG 56 HG2 ARG 56 -19.772 18.051 -13.143 400 HD2 ARG 56 HD1 ARG 56 -18.798 17.207 -14.950 401 HD3 ARG 56 HD2 ARG 56 -18.032 18.760 -15.279 402 HE ARG 56 HE ARG 56 -16.065 17.915 -14.474 403 HH11 ARG 56 HH11 ARG 56 -18.686 15.870 -13.440 404 HH12 ARG 56 HH12 ARG 56 -17.647 14.651 -12.780 405 HH21 ARG 56 HH21 ARG 56 -14.687 16.316 -13.609 406 HH22 ARG 56 HH22 ARG 56 -15.372 14.906 -12.876 407 H LEU 57 HN LEU 57 -20.144 22.830 -11.748 408 HA LEU 57 HA LEU 57 -19.396 21.778 -9.101 409 HB2 LEU 57 HB1 LEU 57 -18.478 24.122 -10.679 410 HB3 LEU 57 HB2 LEU 57 -18.528 24.274 -8.924 411 HG LEU 57 HG LEU 57 -16.306 23.622 -9.957 412 HD11 LEU 57 HD11 LEU 57 -17.275 21.569 -8.003 413 HD12 LEU 57 HD12 LEU 57 -17.122 23.265 -7.544 414 HD13 LEU 57 HD13 LEU 57 -15.706 22.370 -8.093 415 HD21 LEU 57 HD21 LEU 57 -17.731 20.983 -10.291 416 HD22 LEU 57 HD22 LEU 57 -16.005 21.270 -10.521 417 HD23 LEU 57 HD23 LEU 57 -17.177 22.030 -11.598 418 H LYS 58 HN LYS 58 -22.073 22.543 -10.410 419 HA LYS 58 HA LYS 58 -24.070 23.348 -9.669 420 HB2 LYS 58 HB1 LYS 58 -22.733 24.045 -7.060 421 HB3 LYS 58 HB2 LYS 58 -24.426 23.663 -7.345 422 HG2 LYS 58 HG1 LYS 58 -23.386 21.362 -8.147 423 HG3 LYS 58 HG2 LYS 58 -22.093 21.860 -7.053 424 HD2 LYS 58 HD1 LYS 58 -23.433 21.733 -5.195 425 HD3 LYS 58 HD2 LYS 58 -24.911 22.052 -6.107 426 HE2 LYS 58 HE1 LYS 58 -23.924 19.646 -7.122 427 HE3 LYS 58 HE2 LYS 58 -23.702 19.534 -5.377 428 HZ1 LYS 58 HZ1 LYS 58 -26.217 19.957 -6.875 429 HZ2 LYS 58 HZ2 LYS 58 -26.097 20.289 -5.221 430 HZ3 LYS 58 HZ3 LYS 58 -25.839 18.716 -5.789 431 H ILE 59 HN ILE 59 -21.933 25.067 -10.851 432 HA ILE 59 HA ILE 59 -22.790 27.680 -9.801 433 HB ILE 59 HB ILE 59 -20.416 27.139 -11.583 434 HG12 ILE 59 HG11 ILE 59 -20.484 27.527 -8.582 435 HG13 ILE 59 HG12 ILE 59 -20.164 26.004 -9.404 436 HG21 ILE 59 HG21 ILE 59 -20.485 29.506 -9.851 437 HG22 ILE 59 HG22 ILE 59 -19.994 29.344 -11.536 438 HG23 ILE 59 HG23 ILE 59 -21.703 29.484 -11.125 439 HD11 ILE 59 HD11 ILE 59 -18.460 28.468 -9.327 440 HD12 ILE 59 HD12 ILE 59 -18.073 26.843 -8.762 441 HD13 ILE 59 HD13 ILE 59 -18.199 27.169 -10.490 442 H SER 60 HN SER 60 -24.285 28.691 -10.949 443 HA SER 60 HA SER 60 -24.629 28.008 -13.777 444 HB2 SER 60 HB1 SER 60 -26.841 28.314 -13.465 445 HB3 SER 60 HB2 SER 60 -26.469 28.306 -11.742 446 HG SER 60 HG SER 60 -27.625 30.163 -12.232 447 H SER 61 HN SER 61 -23.601 30.556 -11.697 448 HA SER 61 HA SER 61 -23.925 32.663 -13.631 449 HB2 SER 61 HB1 SER 61 -22.052 33.447 -11.658 450 HB3 SER 61 HB2 SER 61 -23.755 33.894 -11.768 451 HG SER 61 HG SER 61 -22.898 32.727 -9.792 452 HA PRO 62 HA PRO 62 -20.168 32.243 -15.863 453 HB2 PRO 62 HB1 PRO 62 -19.603 34.841 -16.414 454 HB3 PRO 62 HB2 PRO 62 -20.916 33.956 -17.199 455 HG2 PRO 62 HG1 PRO 62 -21.032 35.873 -14.903 456 HG3 PRO 62 HG2 PRO 62 -22.108 35.742 -16.306 457 HD2 PRO 62 HD1 PRO 62 -22.751 34.731 -13.877 458 HD3 PRO 62 HD2 PRO 62 -23.287 33.983 -15.395 459 H VAL 63 HN VAL 63 -18.253 31.711 -15.039 460 HA VAL 63 HA VAL 63 -16.850 33.645 -13.334 461 HB VAL 63 HB VAL 63 -16.054 31.826 -11.871 462 HG11 VAL 63 HG11 VAL 63 -18.448 31.313 -10.898 463 HG12 VAL 63 HG12 VAL 63 -17.762 32.938 -10.827 464 HG13 VAL 63 HG13 VAL 63 -18.939 32.529 -12.076 465 HG21 VAL 63 HG21 VAL 63 -16.289 29.951 -13.382 466 HG22 VAL 63 HG22 VAL 63 -17.219 29.651 -11.914 467 HG23 VAL 63 HG23 VAL 63 -18.042 30.144 -13.394 468 H ARG 64 HN ARG 64 -14.513 32.631 -12.906 469 HA ARG 64 HA ARG 64 -13.307 32.456 -15.502 470 HB2 ARG 64 HB1 ARG 64 -11.804 31.956 -12.960 471 HB3 ARG 64 HB2 ARG 64 -11.268 32.764 -14.427 472 HG2 ARG 64 HG1 ARG 64 -13.148 33.847 -12.342 473 HG3 ARG 64 HG2 ARG 64 -11.505 34.390 -12.690 474 HD2 ARG 64 HD1 ARG 64 -12.471 34.777 -15.094 475 HD3 ARG 64 HD2 ARG 64 -14.017 34.807 -14.246 476 HE ARG 64 HE ARG 64 -12.056 36.861 -14.277 477 HH11 ARG 64 HH11 ARG 64 -14.438 35.335 -12.248 478 HH12 ARG 64 HH12 ARG 64 -14.699 36.743 -11.273 479 HH21 ARG 64 HH21 ARG 64 -12.390 38.721 -13.000 480 HH22 ARG 64 HH22 ARG 64 -13.534 38.668 -11.701 481 H VAL 65 HN VAL 65 -12.614 30.704 -16.568 482 HA VAL 65 HA VAL 65 -12.210 28.186 -15.159 483 HB VAL 65 HB VAL 65 -13.643 26.898 -16.624 484 HG11 VAL 65 HG11 VAL 65 -15.745 27.486 -15.719 485 HG12 VAL 65 HG12 VAL 65 -14.545 27.990 -14.527 486 HG13 VAL 65 HG13 VAL 65 -15.296 29.186 -15.585 487 HG21 VAL 65 HG21 VAL 65 -13.491 28.231 -18.636 488 HG22 VAL 65 HG22 VAL 65 -15.186 28.017 -18.196 489 HG23 VAL 65 HG23 VAL 65 -14.376 29.548 -17.866 490 H CYS 66 HN CYS 66 -10.630 26.969 -16.042 491 HA CYS 66 HA CYS 66 -8.940 28.078 -18.008 492 HB2 CYS 66 HB1 CYS 66 -7.798 25.843 -17.928 493 HB3 CYS 66 HB2 CYS 66 -8.003 26.612 -16.358 494 H GLN 67 HN GLN 67 -8.310 27.040 -20.051 495 HA GLN 67 HA GLN 67 -10.434 26.794 -21.822 496 HB2 GLN 67 HB1 GLN 67 -8.321 27.341 -22.726 497 HB3 GLN 67 HB2 GLN 67 -7.556 25.933 -22.001 498 HG2 GLN 67 HG1 GLN 67 -8.783 24.473 -23.515 499 HG3 GLN 67 HG2 GLN 67 -9.577 25.875 -24.231 500 HE21 GLN 67 HE21 GLN 67 -6.205 24.617 -25.785 501 HE22 GLN 67 HE22 GLN 67 -7.299 23.697 -24.814 502 H ASN 68 HN ASN 68 -8.544 24.264 -20.216 503 HA ASN 68 HA ASN 68 -9.579 22.029 -21.474 504 HB2 ASN 68 HB1 ASN 68 -7.765 21.692 -19.998 505 HB3 ASN 68 HB2 ASN 68 -8.604 22.467 -18.658 506 HD21 ASN 68 HD21 ASN 68 -9.167 18.542 -19.499 507 HD22 ASN 68 HD22 ASN 68 -8.281 19.582 -20.557 508 H CYS 69 HN CYS 69 -10.843 23.741 -18.630 509 HA CYS 69 HA CYS 69 -13.096 22.021 -18.320 510 HB2 CYS 69 HB1 CYS 69 -12.319 24.692 -17.182 511 HB3 CYS 69 HB2 CYS 69 -13.919 24.020 -16.884 512 H TYR 70 HN TYR 70 -12.731 25.336 -19.570 513 HA TYR 70 HA TYR 70 -15.331 25.886 -20.249 514 HB2 TYR 70 HB1 TYR 70 -13.434 27.472 -20.464 515 HB3 TYR 70 HB2 TYR 70 -12.899 26.604 -21.899 516 HD1 TYR 70 HD1 TYR 70 -15.413 28.885 -20.523 517 HD2 TYR 70 HD2 TYR 70 -14.109 26.800 -23.995 518 HE1 TYR 70 HE1 TYR 70 -16.876 30.293 -21.911 519 HE2 TYR 70 HE2 TYR 70 -15.568 28.203 -25.393 520 HH TYR 70 HH TYR 70 -17.026 31.038 -24.260 521 H TYR 71 HN TYR 71 -12.919 24.204 -22.247 522 HA TYR 71 HA TYR 71 -14.405 23.805 -24.536 523 HB2 TYR 71 HB1 TYR 71 -12.038 22.647 -23.340 524 HB3 TYR 71 HB2 TYR 71 -12.978 21.420 -24.182 525 HD1 TYR 71 HD1 TYR 71 -13.803 22.149 -26.596 526 HD2 TYR 71 HD2 TYR 71 -10.484 23.851 -24.550 527 HE1 TYR 71 HE1 TYR 71 -12.875 22.907 -28.744 528 HE2 TYR 71 HE2 TYR 71 -9.548 24.615 -26.692 529 HH TYR 71 HH TYR 71 -9.695 24.407 -28.944 530 H ASN 72 HN ASN 72 -14.487 22.011 -21.508 531 HA ASN 72 HA ASN 72 -16.367 20.069 -22.544 532 HB2 ASN 72 HB1 ASN 72 -14.796 20.420 -20.069 533 HB3 ASN 72 HB2 ASN 72 -16.367 19.653 -19.857 534 HD21 ASN 72 HD21 ASN 72 -13.299 17.534 -21.176 535 HD22 ASN 72 HD22 ASN 72 -13.189 19.094 -20.440 536 H LEU 73 HN LEU 73 -16.449 23.100 -20.918 537 HA LEU 73 HA LEU 73 -19.082 22.792 -19.810 538 HB2 LEU 73 HB1 LEU 73 -17.286 25.174 -20.205 539 HB3 LEU 73 HB2 LEU 73 -18.890 25.287 -19.481 540 HG LEU 73 HG LEU 73 -16.623 23.638 -18.365 541 HD11 LEU 73 HD11 LEU 73 -17.182 26.472 -18.203 542 HD12 LEU 73 HD12 LEU 73 -15.778 25.563 -17.644 543 HD13 LEU 73 HD13 LEU 73 -17.202 25.706 -16.614 544 HD21 LEU 73 HD21 LEU 73 -18.011 23.434 -16.408 545 HD22 LEU 73 HD22 LEU 73 -18.910 22.866 -17.815 546 HD23 LEU 73 HD23 LEU 73 -19.251 24.458 -17.134 547 H GLN 74 HN GLN 74 -17.703 23.999 -22.782 548 HA GLN 74 HA GLN 74 -20.173 25.214 -23.663 549 HB2 GLN 74 HB1 GLN 74 -18.924 25.573 -25.793 550 HB3 GLN 74 HB2 GLN 74 -18.129 26.253 -24.379 551 HG2 GLN 74 HG1 GLN 74 -16.346 24.914 -24.576 552 HG3 GLN 74 HG2 GLN 74 -17.317 23.518 -25.042 553 HE21 GLN 74 HE21 GLN 74 -15.768 23.852 -28.149 554 HE22 GLN 74 HE22 GLN 74 -15.874 22.961 -26.673 555 H HIS 75 HN HIS 75 -18.641 22.137 -23.850 556 HA HIS 75 HA HIS 75 -19.836 21.145 -26.202 557 HB2 HIS 75 HB1 HIS 75 -17.907 20.123 -24.898 558 HB3 HIS 75 HB2 HIS 75 -19.114 19.490 -23.783 559 HD1 HIS 75 HD1 HIS 75 -19.558 19.554 -27.526 560 HD2 HIS 75 HD2 HIS 75 -18.835 16.837 -24.468 561 HE1 HIS 75 HE1 HIS 75 -19.784 17.282 -28.579 562 H GLU 76 HN GLU 76 -21.049 21.650 -23.005 563 HA GLU 76 HA GLU 76 -23.242 19.831 -23.162 564 HB2 GLU 76 HB1 GLU 76 -23.981 20.769 -21.119 565 HB3 GLU 76 HB2 GLU 76 -22.224 20.787 -21.044 566 HG2 GLU 76 HG1 GLU 76 -22.475 22.905 -20.398 567 HG3 GLU 76 HG2 GLU 76 -22.741 23.232 -22.110 568 H ARG 77 HN ARG 77 -22.662 23.054 -24.275 569 HA ARG 77 HA ARG 77 -25.504 23.332 -24.995 570 HB2 ARG 77 HB1 ARG 77 -25.128 25.734 -25.111 571 HB3 ARG 77 HB2 ARG 77 -24.645 25.118 -23.536 572 HG2 ARG 77 HG1 ARG 77 -22.381 25.397 -23.981 573 HG3 ARG 77 HG2 ARG 77 -22.637 25.470 -25.725 574 HD2 ARG 77 HD1 ARG 77 -24.095 27.588 -24.982 575 HD3 ARG 77 HD2 ARG 77 -22.922 27.576 -23.666 576 HE ARG 77 HE ARG 77 -21.341 28.322 -25.133 577 HH11 ARG 77 HH11 ARG 77 -23.992 26.965 -26.936 578 HH12 ARG 77 HH12 ARG 77 -23.368 27.458 -28.475 579 HH21 ARG 77 HH21 ARG 77 -20.509 28.976 -27.154 580 HH22 ARG 77 HH22 ARG 77 -21.386 28.601 -28.598 581 H GLY 78 HN GLY 78 -23.651 21.730 -26.491 582 HA2 GLY 78 HA2 GLY 78 -24.009 22.998 -29.079 583 HA3 GLY 78 HA1 GLY 78 -22.339 22.701 -28.619 Start of MODEL 14 1 H1 SER 1 HN SER 1 -22.679 9.693 -11.533 2 HA SER 1 HA SER 1 -21.274 7.774 -12.124 3 HB2 SER 1 HB1 SER 1 -20.122 7.572 -9.713 4 HB3 SER 1 HB2 SER 1 -19.930 8.998 -10.732 5 HG SER 1 HG SER 1 -21.957 8.727 -8.767 6 H ASN 2 HN ASN 2 -20.982 5.604 -12.041 7 HA ASN 2 HA ASN 2 -22.493 4.082 -10.031 8 HB2 ASN 2 HB1 ASN 2 -22.604 3.828 -13.017 9 HB3 ASN 2 HB2 ASN 2 -22.854 2.404 -12.012 10 HD21 ASN 2 HD21 ASN 2 -25.998 3.393 -10.817 11 HD22 ASN 2 HD22 ASN 2 -24.613 2.399 -10.535 12 H ALA 3 HN ALA 3 -20.048 3.873 -12.607 13 HA ALA 3 HA ALA 3 -18.850 1.516 -11.474 14 HB1 ALA 3 HB1 ALA 3 -17.677 1.369 -13.396 15 HB2 ALA 3 HB2 ALA 3 -18.891 2.513 -13.971 16 HB3 ALA 3 HB3 ALA 3 -17.316 3.096 -13.435 17 H GLY 4 HN GLY 4 -16.226 1.763 -11.476 18 HA2 GLY 4 HA2 GLY 4 -15.563 2.938 -9.063 19 HA3 GLY 4 HA1 GLY 4 -14.401 2.547 -10.322 20 H ARG 5 HN ARG 5 -14.223 4.755 -8.538 21 HA ARG 5 HA ARG 5 -14.092 6.900 -10.511 22 HB2 ARG 5 HB1 ARG 5 -15.954 6.825 -8.263 23 HB3 ARG 5 HB2 ARG 5 -14.931 8.256 -8.249 24 HG2 ARG 5 HG1 ARG 5 -16.311 7.459 -10.770 25 HG3 ARG 5 HG2 ARG 5 -17.213 8.284 -9.497 26 HD2 ARG 5 HD1 ARG 5 -15.572 10.108 -9.533 27 HD3 ARG 5 HD2 ARG 5 -14.694 9.284 -10.821 28 HE ARG 5 HE ARG 5 -16.230 10.075 -12.314 29 HH11 ARG 5 HH11 ARG 5 -17.553 10.316 -9.103 30 HH12 ARG 5 HH12 ARG 5 -18.961 11.190 -9.608 31 HH21 ARG 5 HH21 ARG 5 -18.080 11.226 -12.991 32 HH22 ARG 5 HH22 ARG 5 -19.260 11.706 -11.819 33 H SER 6 HN SER 6 -12.810 8.769 -9.696 34 HA SER 6 HA SER 6 -10.625 7.782 -8.001 35 HB2 SER 6 HB1 SER 6 -10.381 8.767 -10.456 36 HB3 SER 6 HB2 SER 6 -10.376 10.301 -9.587 37 HG SER 6 HG SER 6 -8.349 9.874 -9.259 38 H ALA 7 HN ALA 7 -9.420 10.013 -7.149 39 HA ALA 7 HA ALA 7 -11.373 11.104 -5.266 40 HB1 ALA 7 HB1 ALA 7 -9.736 11.086 -3.756 41 HB2 ALA 7 HB2 ALA 7 -8.801 10.160 -4.930 42 HB3 ALA 7 HB3 ALA 7 -8.618 11.912 -4.841 43 H ALA 8 HN ALA 8 -11.094 11.992 -8.104 44 HA ALA 8 HA ALA 8 -11.231 13.935 -9.281 45 HB1 ALA 8 HB1 ALA 8 -12.448 14.475 -6.931 46 HB2 ALA 8 HB2 ALA 8 -11.184 15.705 -6.932 47 HB3 ALA 8 HB3 ALA 8 -12.330 15.618 -8.269 48 H ASP 9 HN ASP 9 -8.652 12.861 -8.648 49 HA ASP 9 HA ASP 9 -6.450 13.387 -8.870 50 HB2 ASP 9 HB1 ASP 9 -7.685 15.010 -10.607 51 HB3 ASP 9 HB2 ASP 9 -7.005 16.231 -9.534 52 H HIS 10 HN HIS 10 -5.756 13.244 -6.782 53 HA HIS 10 HA HIS 10 -5.440 15.792 -5.361 54 HB2 HIS 10 HB1 HIS 10 -7.346 14.558 -4.361 55 HB3 HIS 10 HB2 HIS 10 -6.271 13.200 -4.041 56 HD1 HIS 10 HD1 HIS 10 -6.009 16.933 -3.302 57 HD2 HIS 10 HD2 HIS 10 -5.638 13.245 -1.424 58 HE1 HIS 10 HE1 HIS 10 -5.357 17.449 -0.928 59 H TRP 11 HN TRP 11 -3.279 15.863 -5.994 60 HA TRP 11 HA TRP 11 -1.534 14.090 -4.464 61 HB2 TRP 11 HB1 TRP 11 -0.019 13.942 -6.528 62 HB3 TRP 11 HB2 TRP 11 -1.466 12.939 -6.518 63 HD1 TRP 11 HD1 TRP 11 -1.670 16.661 -7.386 64 HE1 TRP 11 HE1 TRP 11 -2.355 16.892 -9.856 65 HE3 TRP 11 HE3 TRP 11 -1.398 11.747 -8.766 66 HZ2 TRP 11 HZ2 TRP 11 -2.730 15.213 -12.094 67 HZ3 TRP 11 HZ3 TRP 11 -1.937 11.143 -11.090 68 HH2 TRP 11 HH2 TRP 11 -2.589 12.842 -12.718 69 H VAL 12 HN VAL 12 -2.380 16.924 -4.347 70 HA VAL 12 HA VAL 12 0.105 18.075 -3.696 71 HB VAL 12 HB VAL 12 0.018 18.146 -6.311 72 HG11 VAL 12 HG11 VAL 12 -2.327 19.292 -6.049 73 HG12 VAL 12 HG12 VAL 12 -1.356 20.754 -5.864 74 HG13 VAL 12 HG13 VAL 12 -1.223 19.785 -7.332 75 HG21 VAL 12 HG21 VAL 12 1.656 19.251 -4.733 76 HG22 VAL 12 HG22 VAL 12 1.442 20.037 -6.297 77 HG23 VAL 12 HG23 VAL 12 0.663 20.703 -4.861 78 H LYS 13 HN LYS 13 -0.110 20.403 -3.101 79 HA LYS 13 HA LYS 13 -2.802 21.421 -2.792 80 HB2 LYS 13 HB1 LYS 13 -2.348 19.822 -0.853 81 HB3 LYS 13 HB2 LYS 13 -1.155 20.992 -0.304 82 HG2 LYS 13 HG1 LYS 13 -2.794 21.980 0.813 83 HG3 LYS 13 HG2 LYS 13 -3.434 22.505 -0.746 84 HD2 LYS 13 HD1 LYS 13 -5.067 20.909 -0.767 85 HD3 LYS 13 HD2 LYS 13 -4.108 19.761 0.170 86 HE2 LYS 13 HE1 LYS 13 -5.126 22.287 1.417 87 HE3 LYS 13 HE2 LYS 13 -6.170 20.875 1.268 88 HZ1 LYS 13 HZ1 LYS 13 -4.386 19.604 2.437 89 HZ2 LYS 13 HZ2 LYS 13 -5.151 20.778 3.384 90 HZ3 LYS 13 HZ3 LYS 13 -3.611 21.075 2.750 91 H ASP 14 HN ASP 14 -0.300 22.223 -4.090 92 HA ASP 14 HA ASP 14 0.137 24.772 -2.676 93 HB2 ASP 14 HB1 ASP 14 2.364 24.635 -4.144 94 HB3 ASP 14 HB2 ASP 14 2.256 23.926 -2.536 95 H GLU 15 HN GLU 15 -1.724 25.520 -3.923 96 HA GLU 15 HA GLU 15 -1.792 25.584 -6.727 97 HB2 GLU 15 HB1 GLU 15 -3.363 27.542 -6.377 98 HB3 GLU 15 HB2 GLU 15 -3.809 26.044 -5.573 99 HG2 GLU 15 HG1 GLU 15 -3.876 27.082 -3.628 100 HG3 GLU 15 HG2 GLU 15 -2.188 27.559 -3.800 101 H GLY 16 HN GLY 16 0.067 27.380 -4.466 102 HA2 GLY 16 HA2 GLY 16 2.040 28.499 -5.422 103 HA3 GLY 16 HA1 GLY 16 0.969 29.151 -6.653 104 H GLY 17 HN GLY 17 -0.553 30.785 -6.058 105 HA2 GLY 17 HA2 GLY 17 -1.276 31.991 -3.854 106 HA3 GLY 17 HA1 GLY 17 0.432 32.402 -3.819 107 H ASP 18 HN ASP 18 0.536 32.603 -6.772 108 HA ASP 18 HA ASP 18 -1.270 34.490 -7.761 109 HB2 ASP 18 HB1 ASP 18 0.270 35.652 -5.803 110 HB3 ASP 18 HB2 ASP 18 1.159 36.060 -7.268 111 H SER 19 HN SER 19 0.036 32.261 -8.763 112 HA SER 19 HA SER 19 1.393 33.439 -11.058 113 HB2 SER 19 HB1 SER 19 2.612 31.073 -9.629 114 HB3 SER 19 HB2 SER 19 3.301 32.004 -10.959 115 HG SER 19 HG SER 19 3.805 32.403 -8.493 116 H CYS 20 HN CYS 20 0.980 32.400 -12.944 117 HA CYS 20 HA CYS 20 -1.221 30.780 -13.238 118 HB2 CYS 20 HB1 CYS 20 -0.023 32.022 -15.063 119 HB3 CYS 20 HB2 CYS 20 1.186 30.742 -15.068 120 H SER 21 HN SER 21 -1.471 28.546 -13.797 121 HA SER 21 HA SER 21 0.424 26.839 -12.353 122 HB2 SER 21 HB1 SER 21 -2.332 26.951 -12.280 123 HB3 SER 21 HB2 SER 21 -2.027 25.567 -13.330 124 HG SER 21 HG SER 21 -1.473 25.914 -10.629 125 H GLY 22 HN GLY 22 -0.941 27.410 -15.512 126 HA2 GLY 22 HA2 GLY 22 0.372 25.019 -16.589 127 HA3 GLY 22 HA1 GLY 22 -0.783 26.035 -17.440 128 H CYS 23 HN CYS 23 1.146 28.207 -16.040 129 HA CYS 23 HA CYS 23 3.202 28.120 -18.139 130 HB2 CYS 23 HB1 CYS 23 1.489 30.491 -17.377 131 HB3 CYS 23 HB2 CYS 23 2.949 30.614 -18.354 132 H SER 24 HN SER 24 2.233 28.989 -14.925 133 HA SER 24 HA SER 24 3.450 29.384 -13.038 134 HB2 SER 24 HB1 SER 24 6.071 29.177 -14.440 135 HB3 SER 24 HB2 SER 24 5.578 28.530 -12.875 136 HG SER 24 HG SER 24 5.875 26.958 -14.619 137 H VAL 25 HN VAL 25 3.102 31.332 -15.488 138 HA VAL 25 HA VAL 25 5.125 33.308 -15.110 139 HB VAL 25 HB VAL 25 4.035 33.291 -17.222 140 HG11 VAL 25 HG11 VAL 25 1.437 34.112 -16.941 141 HG12 VAL 25 HG12 VAL 25 1.958 32.454 -17.247 142 HG13 VAL 25 HG13 VAL 25 1.627 32.986 -15.598 143 HG21 VAL 25 HG21 VAL 25 3.258 35.576 -17.434 144 HG22 VAL 25 HG22 VAL 25 2.991 35.674 -15.693 145 HG23 VAL 25 HG23 VAL 25 4.628 35.509 -16.326 146 H ARG 26 HN ARG 26 5.274 34.817 -13.588 147 HA ARG 26 HA ARG 26 3.431 34.975 -11.449 148 HB2 ARG 26 HB1 ARG 26 5.466 37.095 -12.107 149 HB3 ARG 26 HB2 ARG 26 4.855 36.622 -10.527 150 HG2 ARG 26 HG1 ARG 26 6.698 35.047 -12.308 151 HG3 ARG 26 HG2 ARG 26 7.090 35.809 -10.765 152 HD2 ARG 26 HD1 ARG 26 4.895 34.158 -10.247 153 HD3 ARG 26 HD2 ARG 26 5.952 33.215 -11.298 154 HE ARG 26 HE ARG 26 6.446 33.971 -8.574 155 HH11 ARG 26 HH11 ARG 26 7.920 33.096 -11.604 156 HH12 ARG 26 HH12 ARG 26 9.385 32.523 -10.876 157 HH21 ARG 26 HH21 ARG 26 8.369 33.221 -7.603 158 HH22 ARG 26 HH22 ARG 26 9.638 32.594 -8.600 159 H PHE 27 HN PHE 27 1.463 35.816 -11.603 160 HA PHE 27 HA PHE 27 0.486 37.450 -13.603 161 HB2 PHE 27 HB1 PHE 27 -0.472 37.363 -10.734 162 HB3 PHE 27 HB2 PHE 27 -1.403 37.913 -12.124 163 HD1 PHE 27 HD1 PHE 27 -1.252 35.373 -9.927 164 HD2 PHE 27 HD2 PHE 27 -1.128 35.978 -14.138 165 HE1 PHE 27 HE1 PHE 27 -2.071 33.079 -10.277 166 HE2 PHE 27 HE2 PHE 27 -1.947 33.685 -14.495 167 HZ PHE 27 HZ PHE 27 -2.421 32.233 -12.563 168 H SER 28 HN SER 28 0.421 39.595 -13.998 169 HA SER 28 HA SER 28 1.273 41.480 -11.945 170 HB2 SER 28 HB1 SER 28 2.785 42.556 -13.780 171 HB3 SER 28 HB2 SER 28 3.397 41.178 -12.864 172 HG SER 28 HG SER 28 3.680 40.323 -14.761 173 H LEU 29 HN LEU 29 1.439 43.768 -13.348 174 HA LEU 29 HA LEU 29 -1.229 44.456 -13.825 175 HB2 LEU 29 HB1 LEU 29 0.975 46.014 -15.087 176 HB3 LEU 29 HB2 LEU 29 -0.475 46.585 -14.263 177 HG LEU 29 HG LEU 29 2.136 45.696 -13.094 178 HD11 LEU 29 HD11 LEU 29 1.614 47.809 -11.730 179 HD12 LEU 29 HD12 LEU 29 0.394 48.130 -12.962 180 HD13 LEU 29 HD13 LEU 29 2.092 48.001 -13.417 181 HD21 LEU 29 HD21 LEU 29 -0.561 45.366 -11.947 182 HD22 LEU 29 HD22 LEU 29 0.642 46.114 -10.895 183 HD23 LEU 29 HD23 LEU 29 0.942 44.518 -11.584 184 H THR 30 HN THR 30 1.077 42.957 -15.856 185 HA THR 30 HA THR 30 -0.444 43.615 -18.276 186 HB THR 30 HB THR 30 1.401 43.058 -19.557 187 HG1 THR 30 HG1 THR 30 2.951 41.579 -18.932 188 HG21 THR 30 HG21 THR 30 1.933 44.994 -18.148 189 HG22 THR 30 HG22 THR 30 3.379 44.054 -18.516 190 HG23 THR 30 HG23 THR 30 2.619 43.920 -16.930 191 H GLU 31 HN GLU 31 0.171 41.066 -16.040 192 HA GLU 31 HA GLU 31 -1.251 39.174 -17.796 193 HB2 GLU 31 HB1 GLU 31 1.142 38.615 -17.132 194 HB3 GLU 31 HB2 GLU 31 0.540 38.415 -15.493 195 HG2 GLU 31 HG1 GLU 31 0.711 36.277 -16.604 196 HG3 GLU 31 HG2 GLU 31 -0.974 36.660 -16.260 197 H ARG 32 HN ARG 32 -3.322 39.113 -17.214 198 HA ARG 32 HA ARG 32 -4.221 39.722 -14.573 199 HB2 ARG 32 HB1 ARG 32 -5.492 38.913 -17.139 200 HB3 ARG 32 HB2 ARG 32 -6.408 38.650 -15.662 201 HG2 ARG 32 HG1 ARG 32 -5.778 41.142 -15.180 202 HG3 ARG 32 HG2 ARG 32 -5.545 41.201 -16.929 203 HD2 ARG 32 HD1 ARG 32 -7.994 39.842 -16.315 204 HD3 ARG 32 HD2 ARG 32 -7.957 41.403 -15.497 205 HE ARG 32 HE ARG 32 -8.277 40.947 -18.286 206 HH11 ARG 32 HH11 ARG 32 -6.905 43.152 -15.967 207 HH12 ARG 32 HH12 ARG 32 -7.002 44.524 -17.020 208 HH21 ARG 32 HH21 ARG 32 -8.410 42.747 -19.681 209 HH22 ARG 32 HH22 ARG 32 -7.859 44.293 -19.132 210 H ARG 33 HN ARG 33 -5.374 38.309 -13.149 211 HA ARG 33 HA ARG 33 -4.574 35.484 -13.415 212 HB2 ARG 33 HB1 ARG 33 -4.290 35.352 -11.044 213 HB3 ARG 33 HB2 ARG 33 -3.396 36.758 -11.605 214 HG2 ARG 33 HG1 ARG 33 -4.665 38.190 -10.439 215 HG3 ARG 33 HG2 ARG 33 -6.156 37.310 -10.787 216 HD2 ARG 33 HD1 ARG 33 -5.479 35.606 -9.118 217 HD3 ARG 33 HD2 ARG 33 -4.075 36.598 -8.724 218 HE ARG 33 HE ARG 33 -6.761 36.998 -7.844 219 HH11 ARG 33 HH11 ARG 33 -3.795 38.633 -8.651 220 HH12 ARG 33 HH12 ARG 33 -4.121 40.001 -7.639 221 HH21 ARG 33 HH21 ARG 33 -7.202 38.794 -6.508 222 HH22 ARG 33 HH22 ARG 33 -6.059 40.091 -6.420 223 H HIS 34 HN HIS 34 -6.008 33.910 -12.478 224 HA HIS 34 HA HIS 34 -8.608 34.639 -11.555 225 HB2 HIS 34 HB1 HIS 34 -9.937 33.885 -13.398 226 HB3 HIS 34 HB2 HIS 34 -8.786 35.058 -14.030 227 HD1 HIS 34 HD1 HIS 34 -6.865 34.135 -15.537 228 HD2 HIS 34 HD2 HIS 34 -9.682 31.305 -14.391 229 HE1 HIS 34 HE1 HIS 34 -6.475 32.153 -17.035 230 H HIS 35 HN HIS 35 -9.220 33.090 -10.202 231 HA HIS 35 HA HIS 35 -7.871 30.515 -10.285 232 HB2 HIS 35 HB1 HIS 35 -8.810 32.173 -8.227 233 HB3 HIS 35 HB2 HIS 35 -9.858 30.758 -8.197 234 HD1 HIS 35 HD1 HIS 35 -7.241 31.788 -6.342 235 HD2 HIS 35 HD2 HIS 35 -7.698 28.407 -8.712 236 HE1 HIS 35 HE1 HIS 35 -5.585 30.117 -5.455 237 H CYS 36 HN CYS 36 -8.723 28.776 -11.200 238 HA CYS 36 HA CYS 36 -11.307 28.791 -12.371 239 HB2 CYS 36 HB1 CYS 36 -9.369 27.494 -13.251 240 HB3 CYS 36 HB2 CYS 36 -9.501 26.418 -11.863 241 H ARG 37 HN ARG 37 -13.198 28.426 -11.436 242 HA ARG 37 HA ARG 37 -13.357 27.465 -8.733 243 HB2 ARG 37 HB1 ARG 37 -15.752 27.814 -10.498 244 HB3 ARG 37 HB2 ARG 37 -15.589 28.117 -8.774 245 HG2 ARG 37 HG1 ARG 37 -14.501 29.791 -11.024 246 HG3 ARG 37 HG2 ARG 37 -15.799 30.211 -9.905 247 HD2 ARG 37 HD1 ARG 37 -14.132 30.029 -8.045 248 HD3 ARG 37 HD2 ARG 37 -12.877 29.844 -9.269 249 HE ARG 37 HE ARG 37 -14.260 32.151 -9.907 250 HH11 ARG 37 HH11 ARG 37 -12.359 30.957 -7.246 251 HH12 ARG 37 HH12 ARG 37 -11.795 32.526 -6.776 252 HH21 ARG 37 HH21 ARG 37 -13.524 34.222 -9.298 253 HH22 ARG 37 HH22 ARG 37 -12.459 34.383 -7.943 254 H ASN 38 HN ASN 38 -12.843 25.850 -11.481 255 HA ASN 38 HA ASN 38 -14.650 23.621 -10.875 256 HB2 ASN 38 HB1 ASN 38 -14.303 24.616 -13.251 257 HB3 ASN 38 HB2 ASN 38 -12.790 23.714 -13.234 258 HD21 ASN 38 HD21 ASN 38 -15.813 21.808 -14.591 259 HD22 ASN 38 HD22 ASN 38 -15.372 23.470 -14.764 260 H CYS 39 HN CYS 39 -11.218 24.378 -11.311 261 HA CYS 39 HA CYS 39 -10.543 21.773 -10.121 262 HB2 CYS 39 HB1 CYS 39 -8.597 23.593 -11.525 263 HB3 CYS 39 HB2 CYS 39 -8.454 21.865 -11.217 264 H GLY 40 HN GLY 40 -9.984 25.246 -9.903 265 HA2 GLY 40 HA2 GLY 40 -9.709 26.357 -7.819 266 HA3 GLY 40 HA1 GLY 40 -9.106 24.856 -7.131 267 H GLN 41 HN GLN 41 -7.944 25.963 -10.212 268 HA GLN 41 HA GLN 41 -5.367 26.616 -8.943 269 HB2 GLN 41 HB1 GLN 41 -5.796 25.659 -11.775 270 HB3 GLN 41 HB2 GLN 41 -4.261 25.847 -10.937 271 HG2 GLN 41 HG1 GLN 41 -5.837 24.116 -9.372 272 HG3 GLN 41 HG2 GLN 41 -5.989 23.584 -11.046 273 HE21 GLN 41 HE21 GLN 41 -2.849 22.445 -9.032 274 HE22 GLN 41 HE22 GLN 41 -4.394 22.893 -8.401 275 H LEU 42 HN LEU 42 -4.082 28.285 -9.939 276 HA LEU 42 HA LEU 42 -5.759 30.405 -11.065 277 HB2 LEU 42 HB1 LEU 42 -3.431 30.303 -9.308 278 HB3 LEU 42 HB2 LEU 42 -3.294 31.517 -10.578 279 HG LEU 42 HG LEU 42 -5.587 31.338 -8.626 280 HD11 LEU 42 HD11 LEU 42 -3.285 31.892 -7.672 281 HD12 LEU 42 HD12 LEU 42 -4.593 33.032 -7.357 282 HD13 LEU 42 HD13 LEU 42 -3.395 33.387 -8.602 283 HD21 LEU 42 HD21 LEU 42 -5.028 33.866 -9.966 284 HD22 LEU 42 HD22 LEU 42 -6.555 33.010 -9.747 285 HD23 LEU 42 HD23 LEU 42 -5.481 32.572 -11.076 286 H PHE 43 HN PHE 43 -5.642 30.908 -13.145 287 HA PHE 43 HA PHE 43 -3.199 30.196 -14.629 288 HB2 PHE 43 HB1 PHE 43 -6.051 30.050 -15.628 289 HB3 PHE 43 HB2 PHE 43 -4.614 29.722 -16.591 290 HD1 PHE 43 HD1 PHE 43 -3.118 27.799 -15.885 291 HD2 PHE 43 HD2 PHE 43 -7.052 28.369 -14.363 292 HE1 PHE 43 HE1 PHE 43 -3.186 25.441 -15.186 293 HE2 PHE 43 HE2 PHE 43 -7.126 26.013 -13.661 294 HZ PHE 43 HZ PHE 43 -5.191 24.545 -14.072 295 H CYS 44 HN CYS 44 -3.018 31.441 -16.726 296 HA CYS 44 HA CYS 44 -3.569 34.256 -16.159 297 HB2 CYS 44 HB1 CYS 44 -1.887 34.738 -17.867 298 HB3 CYS 44 HB2 CYS 44 -1.248 33.617 -16.670 299 H GLN 45 HN GLN 45 -4.257 35.674 -17.916 300 HA GLN 45 HA GLN 45 -6.619 34.844 -19.123 301 HB2 GLN 45 HB1 GLN 45 -6.569 36.932 -20.349 302 HB3 GLN 45 HB2 GLN 45 -6.008 37.204 -18.705 303 HG2 GLN 45 HG1 GLN 45 -3.767 37.409 -19.394 304 HG3 GLN 45 HG2 GLN 45 -4.121 36.760 -20.994 305 HE21 GLN 45 HE21 GLN 45 -4.574 39.887 -22.350 306 HE22 GLN 45 HE22 GLN 45 -4.105 38.232 -22.517 307 H LYS 46 HN LYS 46 -3.375 34.365 -20.110 308 HA LYS 46 HA LYS 46 -4.073 33.855 -22.888 309 HB2 LYS 46 HB1 LYS 46 -1.767 34.736 -21.641 310 HB3 LYS 46 HB2 LYS 46 -1.392 33.064 -22.038 311 HG2 LYS 46 HG1 LYS 46 -2.591 34.807 -24.133 312 HG3 LYS 46 HG2 LYS 46 -0.884 34.995 -23.726 313 HD2 LYS 46 HD1 LYS 46 -0.316 33.062 -24.719 314 HD3 LYS 46 HD2 LYS 46 -1.728 32.213 -24.084 315 HE2 LYS 46 HE1 LYS 46 -3.120 33.124 -25.820 316 HE3 LYS 46 HE2 LYS 46 -1.807 34.153 -26.391 317 HZ1 LYS 46 HZ1 LYS 46 -2.063 32.201 -27.784 318 HZ2 LYS 46 HZ2 LYS 46 -1.831 31.183 -26.453 319 HZ3 LYS 46 HZ3 LYS 46 -0.567 32.167 -26.996 320 H CYS 47 HN CYS 47 -3.902 32.158 -19.956 321 HA CYS 47 HA CYS 47 -3.344 29.579 -21.164 322 HB2 CYS 47 HB1 CYS 47 -3.215 30.677 -18.536 323 HB3 CYS 47 HB2 CYS 47 -4.326 29.311 -18.500 324 H SER 48 HN SER 48 -6.061 31.122 -19.458 325 HA SER 48 HA SER 48 -7.839 28.999 -20.400 326 HB2 SER 48 HB1 SER 48 -8.106 29.481 -18.073 327 HB3 SER 48 HB2 SER 48 -8.197 31.216 -18.377 328 HG SER 48 HG SER 48 -10.254 30.984 -18.660 329 H ARG 49 HN ARG 49 -7.404 32.501 -20.583 330 HA ARG 49 HA ARG 49 -8.503 34.103 -21.813 331 HB2 ARG 49 HB1 ARG 49 -8.572 33.399 -24.301 332 HB3 ARG 49 HB2 ARG 49 -7.011 33.501 -23.497 333 HG2 ARG 49 HG1 ARG 49 -7.076 31.058 -23.141 334 HG3 ARG 49 HG2 ARG 49 -8.586 30.997 -24.052 335 HD2 ARG 49 HD1 ARG 49 -6.828 32.433 -25.667 336 HD3 ARG 49 HD2 ARG 49 -5.859 31.120 -25.000 337 HE ARG 49 HE ARG 49 -8.165 29.921 -25.848 338 HH11 ARG 49 HH11 ARG 49 -5.717 31.905 -27.328 339 HH12 ARG 49 HH12 ARG 49 -5.904 31.194 -28.896 340 HH21 ARG 49 HH21 ARG 49 -8.420 28.976 -27.908 341 HH22 ARG 49 HH22 ARG 49 -7.442 29.528 -29.225 342 H PHE 50 HN PHE 50 -10.221 31.927 -20.581 343 HA PHE 50 HA PHE 50 -12.638 32.586 -22.094 344 HB2 PHE 50 HB1 PHE 50 -11.939 29.790 -21.172 345 HB3 PHE 50 HB2 PHE 50 -13.464 30.275 -21.906 346 HD1 PHE 50 HD1 PHE 50 -10.850 28.394 -22.636 347 HD2 PHE 50 HD2 PHE 50 -12.691 31.930 -24.128 348 HE1 PHE 50 HE1 PHE 50 -9.916 27.935 -24.865 349 HE2 PHE 50 HE2 PHE 50 -11.760 31.476 -26.360 350 HZ PHE 50 HZ PHE 50 -10.371 29.477 -26.731 351 H GLN 51 HN GLN 51 -14.638 31.918 -20.805 352 HA GLN 51 HA GLN 51 -14.411 31.606 -17.985 353 HB2 GLN 51 HB1 GLN 51 -14.620 33.709 -17.187 354 HB3 GLN 51 HB2 GLN 51 -13.914 34.161 -18.733 355 HG2 GLN 51 HG1 GLN 51 -16.305 34.316 -19.593 356 HG3 GLN 51 HG2 GLN 51 -16.791 34.248 -17.900 357 HE21 GLN 51 HE21 GLN 51 -15.156 37.607 -19.483 358 HE22 GLN 51 HE22 GLN 51 -15.195 36.116 -20.355 359 H SER 52 HN SER 52 -16.257 30.785 -17.197 360 HA SER 52 HA SER 52 -18.847 31.481 -18.101 361 HB2 SER 52 HB1 SER 52 -17.503 29.542 -19.693 362 HB3 SER 52 HB2 SER 52 -18.773 28.710 -18.797 363 HG SER 52 HG SER 52 -19.251 31.125 -20.186 364 H GLU 53 HN GLU 53 -20.521 29.885 -17.218 365 HA GLU 53 HA GLU 53 -19.948 29.462 -14.460 366 HB2 GLU 53 HB1 GLU 53 -22.263 28.356 -14.511 367 HB3 GLU 53 HB2 GLU 53 -22.167 30.065 -14.913 368 HG2 GLU 53 HG1 GLU 53 -21.945 28.210 -17.185 369 HG3 GLU 53 HG2 GLU 53 -23.506 28.244 -16.368 370 H ILE 54 HN ILE 54 -20.564 27.318 -13.403 371 HA ILE 54 HA ILE 54 -19.566 25.051 -14.992 372 HB ILE 54 HB ILE 54 -18.799 25.666 -12.136 373 HG12 ILE 54 HG11 ILE 54 -16.810 25.371 -14.334 374 HG13 ILE 54 HG12 ILE 54 -17.738 26.865 -14.272 375 HG21 ILE 54 HG21 ILE 54 -17.199 23.689 -12.643 376 HG22 ILE 54 HG22 ILE 54 -18.872 23.356 -12.200 377 HG23 ILE 54 HG23 ILE 54 -18.377 23.284 -13.891 378 HD11 ILE 54 HD11 ILE 54 -15.978 27.484 -12.995 379 HD12 ILE 54 HD12 ILE 54 -16.980 26.769 -11.731 380 HD13 ILE 54 HD13 ILE 54 -15.658 25.841 -12.440 381 H LYS 55 HN LYS 55 -21.875 24.610 -15.206 382 HA LYS 55 HA LYS 55 -23.636 24.140 -13.115 383 HB2 LYS 55 HB1 LYS 55 -23.819 23.995 -15.805 384 HB3 LYS 55 HB2 LYS 55 -23.797 22.281 -15.415 385 HG2 LYS 55 HG1 LYS 55 -25.930 22.349 -14.838 386 HG3 LYS 55 HG2 LYS 55 -25.603 23.616 -13.652 387 HD2 LYS 55 HD1 LYS 55 -25.741 24.387 -16.520 388 HD3 LYS 55 HD2 LYS 55 -27.251 23.998 -15.693 389 HE2 LYS 55 HE1 LYS 55 -26.664 25.642 -13.940 390 HE3 LYS 55 HE2 LYS 55 -25.223 26.071 -14.861 391 HZ1 LYS 55 HZ1 LYS 55 -26.846 27.654 -15.413 392 HZ2 LYS 55 HZ2 LYS 55 -28.055 26.489 -15.615 393 HZ3 LYS 55 HZ3 LYS 55 -26.795 26.602 -16.738 394 H ARG 56 HN ARG 56 -21.053 22.148 -14.362 395 HA ARG 56 HA ARG 56 -21.764 19.672 -13.300 396 HB2 ARG 56 HB1 ARG 56 -19.935 19.796 -14.828 397 HB3 ARG 56 HB2 ARG 56 -19.064 20.921 -13.795 398 HG2 ARG 56 HG1 ARG 56 -18.809 19.144 -12.112 399 HG3 ARG 56 HG2 ARG 56 -19.622 18.022 -13.205 400 HD2 ARG 56 HD1 ARG 56 -17.225 19.549 -14.133 401 HD3 ARG 56 HD2 ARG 56 -17.020 18.112 -13.132 402 HE ARG 56 HE ARG 56 -18.687 17.290 -15.113 403 HH11 ARG 56 HH11 ARG 56 -15.572 18.844 -15.052 404 HH12 ARG 56 HH12 ARG 56 -15.044 18.136 -16.542 405 HH21 ARG 56 HH21 ARG 56 -18.003 16.352 -17.077 406 HH22 ARG 56 HH22 ARG 56 -16.428 16.719 -17.694 407 H LEU 57 HN LEU 57 -20.618 22.533 -11.739 408 HA LEU 57 HA LEU 57 -20.294 21.048 -9.217 409 HB2 LEU 57 HB1 LEU 57 -19.069 23.591 -10.228 410 HB3 LEU 57 HB2 LEU 57 -19.124 23.228 -8.505 411 HG LEU 57 HG LEU 57 -17.706 21.627 -10.633 412 HD11 LEU 57 HD11 LEU 57 -16.610 23.738 -10.026 413 HD12 LEU 57 HD12 LEU 57 -15.683 22.333 -9.501 414 HD13 LEU 57 HD13 LEU 57 -16.631 23.250 -8.331 415 HD21 LEU 57 HD21 LEU 57 -18.083 21.143 -7.686 416 HD22 LEU 57 HD22 LEU 57 -16.814 20.374 -8.640 417 HD23 LEU 57 HD23 LEU 57 -18.510 20.078 -9.026 418 H LYS 58 HN LYS 58 -22.730 22.263 -10.625 419 HA LYS 58 HA LYS 58 -24.720 23.121 -9.916 420 HB2 LYS 58 HB1 LYS 58 -23.548 23.576 -7.184 421 HB3 LYS 58 HB2 LYS 58 -25.220 23.248 -7.620 422 HG2 LYS 58 HG1 LYS 58 -24.150 20.980 -8.485 423 HG3 LYS 58 HG2 LYS 58 -22.949 21.382 -7.255 424 HD2 LYS 58 HD1 LYS 58 -24.699 21.540 -5.572 425 HD3 LYS 58 HD2 LYS 58 -25.927 21.207 -6.794 426 HE2 LYS 58 HE1 LYS 58 -25.573 19.006 -6.685 427 HE3 LYS 58 HE2 LYS 58 -23.823 19.205 -6.763 428 HZ1 LYS 58 HZ1 LYS 58 -23.744 18.672 -4.631 429 HZ2 LYS 58 HZ2 LYS 58 -25.431 18.608 -4.526 430 HZ3 LYS 58 HZ3 LYS 58 -24.622 20.067 -4.250 431 H ILE 59 HN ILE 59 -22.400 24.742 -10.851 432 HA ILE 59 HA ILE 59 -23.004 27.326 -9.598 433 HB ILE 59 HB ILE 59 -20.791 26.655 -11.540 434 HG12 ILE 59 HG11 ILE 59 -20.705 26.986 -8.533 435 HG13 ILE 59 HG12 ILE 59 -20.527 25.466 -9.402 436 HG21 ILE 59 HG21 ILE 59 -20.299 28.824 -11.600 437 HG22 ILE 59 HG22 ILE 59 -21.858 29.116 -10.831 438 HG23 ILE 59 HG23 ILE 59 -20.403 28.965 -9.846 439 HD11 ILE 59 HD11 ILE 59 -18.535 27.345 -8.692 440 HD12 ILE 59 HD12 ILE 59 -18.352 25.810 -9.542 441 HD13 ILE 59 HD13 ILE 59 -18.637 27.294 -10.451 442 H SER 60 HN SER 60 -24.651 28.347 -10.533 443 HA SER 60 HA SER 60 -25.178 28.016 -13.374 444 HB2 SER 60 HB1 SER 60 -26.876 29.946 -12.020 445 HB3 SER 60 HB2 SER 60 -27.316 28.442 -12.830 446 HG SER 60 HG SER 60 -26.898 28.955 -10.156 447 H SER 61 HN SER 61 -23.711 30.274 -11.234 448 HA SER 61 HA SER 61 -23.948 32.529 -13.025 449 HB2 SER 61 HB1 SER 61 -22.846 32.048 -10.315 450 HB3 SER 61 HB2 SER 61 -22.077 33.330 -11.251 451 HG SER 61 HG SER 61 -24.551 33.256 -10.083 452 HA PRO 62 HA PRO 62 -20.383 31.709 -15.470 453 HB2 PRO 62 HB1 PRO 62 -19.817 34.240 -16.273 454 HB3 PRO 62 HB2 PRO 62 -21.184 33.314 -16.905 455 HG2 PRO 62 HG1 PRO 62 -21.145 35.422 -14.780 456 HG3 PRO 62 HG2 PRO 62 -22.301 35.190 -16.104 457 HD2 PRO 62 HD1 PRO 62 -22.817 34.401 -13.566 458 HD3 PRO 62 HD2 PRO 62 -23.448 33.536 -14.982 459 H VAL 63 HN VAL 63 -18.434 31.212 -14.705 460 HA VAL 63 HA VAL 63 -16.958 33.242 -13.167 461 HB VAL 63 HB VAL 63 -16.033 31.513 -11.718 462 HG11 VAL 63 HG11 VAL 63 -18.665 32.485 -11.672 463 HG12 VAL 63 HG12 VAL 63 -18.758 30.789 -11.193 464 HG13 VAL 63 HG13 VAL 63 -17.707 31.900 -10.312 465 HG21 VAL 63 HG21 VAL 63 -17.794 29.679 -13.326 466 HG22 VAL 63 HG22 VAL 63 -16.051 29.578 -13.081 467 HG23 VAL 63 HG23 VAL 63 -17.150 29.242 -11.743 468 H ARG 64 HN ARG 64 -14.562 32.373 -12.913 469 HA ARG 64 HA ARG 64 -13.557 32.145 -15.599 470 HB2 ARG 64 HB1 ARG 64 -11.794 31.919 -13.196 471 HB3 ARG 64 HB2 ARG 64 -11.488 32.715 -14.734 472 HG2 ARG 64 HG1 ARG 64 -13.331 33.705 -12.567 473 HG3 ARG 64 HG2 ARG 64 -11.722 34.330 -12.935 474 HD2 ARG 64 HD1 ARG 64 -14.223 34.497 -14.588 475 HD3 ARG 64 HD2 ARG 64 -13.220 35.813 -13.979 476 HE ARG 64 HE ARG 64 -12.792 34.262 -16.369 477 HH11 ARG 64 HH11 ARG 64 -11.334 36.309 -13.960 478 HH12 ARG 64 HH12 ARG 64 -10.021 36.796 -14.980 479 HH21 ARG 64 HH21 ARG 64 -11.068 34.896 -17.722 480 HH22 ARG 64 HH22 ARG 64 -9.872 35.992 -17.120 481 H VAL 65 HN VAL 65 -12.990 30.344 -16.627 482 HA VAL 65 HA VAL 65 -12.288 27.959 -15.071 483 HB VAL 65 HB VAL 65 -13.664 26.511 -16.429 484 HG11 VAL 65 HG11 VAL 65 -15.500 28.728 -15.587 485 HG12 VAL 65 HG12 VAL 65 -15.739 26.983 -15.474 486 HG13 VAL 65 HG13 VAL 65 -14.594 27.788 -14.401 487 HG21 VAL 65 HG21 VAL 65 -13.608 27.697 -18.528 488 HG22 VAL 65 HG22 VAL 65 -15.287 27.456 -18.046 489 HG23 VAL 65 HG23 VAL 65 -14.528 29.034 -17.839 490 H CYS 66 HN CYS 66 -10.634 26.811 -15.901 491 HA CYS 66 HA CYS 66 -9.002 27.891 -17.901 492 HB2 CYS 66 HB1 CYS 66 -7.775 25.737 -17.786 493 HB3 CYS 66 HB2 CYS 66 -8.097 26.422 -16.197 494 H GLN 67 HN GLN 67 -8.405 26.973 -19.969 495 HA GLN 67 HA GLN 67 -10.489 26.662 -21.735 496 HB2 GLN 67 HB1 GLN 67 -8.379 27.186 -22.643 497 HB3 GLN 67 HB2 GLN 67 -7.612 25.797 -21.883 498 HG2 GLN 67 HG1 GLN 67 -8.813 24.299 -23.376 499 HG3 GLN 67 HG2 GLN 67 -9.618 25.677 -24.124 500 HE21 GLN 67 HE21 GLN 67 -6.553 26.838 -25.666 501 HE22 GLN 67 HE22 GLN 67 -7.848 27.451 -24.701 502 H ASN 68 HN ASN 68 -8.563 24.100 -20.201 503 HA ASN 68 HA ASN 68 -9.682 21.892 -21.433 504 HB2 ASN 68 HB1 ASN 68 -7.972 22.367 -19.240 505 HB3 ASN 68 HB2 ASN 68 -9.260 21.326 -18.640 506 HD21 ASN 68 HD21 ASN 68 -6.904 19.955 -21.699 507 HD22 ASN 68 HD22 ASN 68 -7.282 21.636 -21.574 508 H CYS 69 HN CYS 69 -10.975 23.910 -18.892 509 HA CYS 69 HA CYS 69 -13.186 22.104 -18.368 510 HB2 CYS 69 HB1 CYS 69 -12.244 24.701 -17.214 511 HB3 CYS 69 HB2 CYS 69 -13.909 24.195 -16.946 512 H TYR 70 HN TYR 70 -12.760 25.401 -19.640 513 HA TYR 70 HA TYR 70 -15.370 26.019 -20.242 514 HB2 TYR 70 HB1 TYR 70 -13.428 27.556 -20.493 515 HB3 TYR 70 HB2 TYR 70 -12.972 26.694 -21.958 516 HD1 TYR 70 HD1 TYR 70 -14.079 27.108 -24.027 517 HD2 TYR 70 HD2 TYR 70 -15.539 28.868 -20.439 518 HE1 TYR 70 HE1 TYR 70 -15.549 28.569 -25.350 519 HE2 TYR 70 HE2 TYR 70 -17.015 30.334 -21.753 520 HH TYR 70 HH TYR 70 -18.105 30.232 -24.090 521 H TYR 71 HN TYR 71 -13.033 24.372 -22.365 522 HA TYR 71 HA TYR 71 -14.630 23.992 -24.581 523 HB2 TYR 71 HB1 TYR 71 -12.193 22.826 -23.519 524 HB3 TYR 71 HB2 TYR 71 -13.155 21.631 -24.382 525 HD1 TYR 71 HD1 TYR 71 -14.068 22.450 -26.729 526 HD2 TYR 71 HD2 TYR 71 -10.703 24.114 -24.726 527 HE1 TYR 71 HE1 TYR 71 -13.229 23.317 -28.872 528 HE2 TYR 71 HE2 TYR 71 -9.855 24.986 -26.863 529 HH TYR 71 HH TYR 71 -10.110 24.405 -29.319 530 H ASN 72 HN ASN 72 -14.573 22.201 -21.563 531 HA ASN 72 HA ASN 72 -16.424 20.198 -22.534 532 HB2 ASN 72 HB1 ASN 72 -15.078 20.704 -19.889 533 HB3 ASN 72 HB2 ASN 72 -16.368 19.515 -20.044 534 HD21 ASN 72 HD21 ASN 72 -12.840 18.171 -20.623 535 HD22 ASN 72 HD22 ASN 72 -13.418 19.346 -19.496 536 H LEU 73 HN LEU 73 -16.539 23.229 -20.891 537 HA LEU 73 HA LEU 73 -19.153 22.856 -19.754 538 HB2 LEU 73 HB1 LEU 73 -17.372 25.250 -20.111 539 HB3 LEU 73 HB2 LEU 73 -18.991 25.370 -19.426 540 HG LEU 73 HG LEU 73 -16.703 23.777 -18.269 541 HD11 LEU 73 HD11 LEU 73 -17.463 26.553 -18.042 542 HD12 LEU 73 HD12 LEU 73 -16.039 25.719 -17.421 543 HD13 LEU 73 HD13 LEU 73 -17.530 25.737 -16.480 544 HD21 LEU 73 HD21 LEU 73 -18.697 22.674 -17.666 545 HD22 LEU 73 HD22 LEU 73 -19.552 24.194 -17.400 546 HD23 LEU 73 HD23 LEU 73 -18.281 23.690 -16.285 547 H GLN 74 HN GLN 74 -17.857 23.954 -22.769 548 HA GLN 74 HA GLN 74 -20.313 25.244 -23.599 549 HB2 GLN 74 HB1 GLN 74 -17.777 24.630 -25.124 550 HB3 GLN 74 HB2 GLN 74 -19.128 25.562 -25.754 551 HG2 GLN 74 HG1 GLN 74 -17.257 26.286 -23.522 552 HG3 GLN 74 HG2 GLN 74 -17.501 27.116 -25.058 553 HE21 GLN 74 HE21 GLN 74 -19.771 27.970 -21.852 554 HE22 GLN 74 HE22 GLN 74 -18.495 26.806 -21.818 555 H HIS 75 HN HIS 75 -18.671 22.187 -24.044 556 HA HIS 75 HA HIS 75 -20.410 21.284 -26.147 557 HB2 HIS 75 HB1 HIS 75 -18.083 20.239 -24.686 558 HB3 HIS 75 HB2 HIS 75 -19.258 19.010 -25.146 559 HD1 HIS 75 HD1 HIS 75 -17.081 21.684 -26.701 560 HD2 HIS 75 HD2 HIS 75 -19.177 18.263 -27.778 561 HE1 HIS 75 HE1 HIS 75 -16.433 21.222 -29.086 562 H GLU 76 HN GLU 76 -20.368 21.152 -22.673 563 HA GLU 76 HA GLU 76 -22.370 19.084 -22.492 564 HB2 GLU 76 HB1 GLU 76 -22.221 19.350 -20.133 565 HB3 GLU 76 HB2 GLU 76 -20.585 19.497 -20.759 566 HG2 GLU 76 HG1 GLU 76 -20.731 21.925 -20.596 567 HG3 GLU 76 HG2 GLU 76 -22.377 21.786 -19.980 568 H ARG 77 HN ARG 77 -22.286 22.541 -22.677 569 HA ARG 77 HA ARG 77 -25.219 22.587 -22.451 570 HB2 ARG 77 HB1 ARG 77 -23.222 24.461 -21.201 571 HB3 ARG 77 HB2 ARG 77 -24.880 24.959 -21.512 572 HG2 ARG 77 HG1 ARG 77 -24.764 22.413 -20.141 573 HG3 ARG 77 HG2 ARG 77 -23.929 23.687 -19.250 574 HD2 ARG 77 HD1 ARG 77 -25.840 24.742 -18.745 575 HD3 ARG 77 HD2 ARG 77 -26.493 24.526 -20.368 576 HE ARG 77 HE ARG 77 -26.494 22.103 -18.847 577 HH11 ARG 77 HH11 ARG 77 -28.217 25.070 -19.442 578 HH12 ARG 77 HH12 ARG 77 -29.750 24.430 -18.951 579 HH21 ARG 77 HH21 ARG 77 -28.508 21.250 -18.198 580 HH22 ARG 77 HH22 ARG 77 -29.914 22.257 -18.243 581 H GLY 78 HN GLY 78 -24.493 22.268 -24.876 582 HA2 GLY 78 HA2 GLY 78 -25.440 24.099 -26.510 583 HA3 GLY 78 HA1 GLY 78 -23.888 24.836 -26.143 Start of MODEL 15 1 H1 SER 1 HN SER 1 11.062 38.991 15.119 2 HA SER 1 HA SER 1 9.161 38.932 13.865 3 HB2 SER 1 HB1 SER 1 8.209 38.267 16.565 4 HB3 SER 1 HB2 SER 1 6.973 38.966 15.520 5 HG SER 1 HG SER 1 8.641 36.866 14.638 6 H ASN 2 HN ASN 2 7.785 40.413 12.922 7 HA ASN 2 HA ASN 2 7.041 42.823 14.350 8 HB2 ASN 2 HB1 ASN 2 9.394 42.764 12.751 9 HB3 ASN 2 HB2 ASN 2 8.192 43.724 11.895 10 HD21 ASN 2 HD21 ASN 2 9.035 46.485 13.770 11 HD22 ASN 2 HD22 ASN 2 8.719 45.765 12.231 12 H ALA 3 HN ALA 3 6.082 44.410 12.489 13 HA ALA 3 HA ALA 3 4.319 44.764 11.093 14 HB1 ALA 3 HB1 ALA 3 6.020 42.991 9.787 15 HB2 ALA 3 HB2 ALA 3 4.406 42.308 9.580 16 HB3 ALA 3 HB3 ALA 3 4.737 43.961 9.063 17 H GLY 4 HN GLY 4 2.242 43.631 10.174 18 HA2 GLY 4 HA2 GLY 4 0.863 42.566 12.445 19 HA3 GLY 4 HA1 GLY 4 0.188 42.822 10.843 20 H ARG 5 HN ARG 5 -0.538 41.024 9.946 21 HA ARG 5 HA ARG 5 1.028 38.712 9.587 22 HB2 ARG 5 HB1 ARG 5 -0.101 37.125 11.017 23 HB3 ARG 5 HB2 ARG 5 0.545 38.429 12.004 24 HG2 ARG 5 HG1 ARG 5 -1.516 38.272 12.929 25 HG3 ARG 5 HG2 ARG 5 -1.889 39.410 11.633 26 HD2 ARG 5 HD1 ARG 5 -3.446 37.981 10.940 27 HD3 ARG 5 HD2 ARG 5 -2.142 36.889 10.474 28 HE ARG 5 HE ARG 5 -2.589 36.473 13.171 29 HH11 ARG 5 HH11 ARG 5 -4.382 36.184 10.201 30 HH12 ARG 5 HH12 ARG 5 -5.379 34.889 10.777 31 HH21 ARG 5 HH21 ARG 5 -3.896 34.769 13.941 32 HH22 ARG 5 HH22 ARG 5 -5.102 34.086 12.905 33 H SER 6 HN SER 6 -2.189 40.118 9.780 34 HA SER 6 HA SER 6 -3.528 38.248 8.157 35 HB2 SER 6 HB1 SER 6 -4.052 41.029 9.080 36 HB3 SER 6 HB2 SER 6 -4.978 40.452 7.694 37 HG SER 6 HG SER 6 -6.149 39.843 9.431 38 H ALA 7 HN ALA 7 -4.276 38.511 5.964 39 HA ALA 7 HA ALA 7 -2.744 40.332 4.273 40 HB1 ALA 7 HB1 ALA 7 -2.719 37.337 3.929 41 HB2 ALA 7 HB2 ALA 7 -2.133 38.490 2.729 42 HB3 ALA 7 HB3 ALA 7 -1.344 38.377 4.302 43 H ALA 8 HN ALA 8 -4.612 37.425 3.477 44 HA ALA 8 HA ALA 8 -6.852 39.054 2.569 45 HB1 ALA 8 HB1 ALA 8 -6.798 38.423 0.334 46 HB2 ALA 8 HB2 ALA 8 -5.103 38.748 0.699 47 HB3 ALA 8 HB3 ALA 8 -5.688 37.085 0.635 48 H ASP 9 HN ASP 9 -6.930 37.439 4.727 49 HA ASP 9 HA ASP 9 -8.196 35.808 5.685 50 HB2 ASP 9 HB1 ASP 9 -9.659 36.586 3.497 51 HB3 ASP 9 HB2 ASP 9 -9.496 34.852 3.232 52 H HIS 10 HN HIS 10 -5.596 35.205 4.740 53 HA HIS 10 HA HIS 10 -5.403 32.828 3.279 54 HB2 HIS 10 HB1 HIS 10 -3.617 34.563 4.454 55 HB3 HIS 10 HB2 HIS 10 -3.412 33.100 5.413 56 HD1 HIS 10 HD1 HIS 10 -1.674 31.603 4.519 57 HD2 HIS 10 HD2 HIS 10 -3.486 33.819 1.507 58 HE1 HIS 10 HE1 HIS 10 -0.495 30.944 2.397 59 H TRP 11 HN TRP 11 -6.790 31.219 3.851 60 HA TRP 11 HA TRP 11 -6.369 30.033 6.512 61 HB2 TRP 11 HB1 TRP 11 -8.813 29.299 6.353 62 HB3 TRP 11 HB2 TRP 11 -8.515 31.000 6.697 63 HD1 TRP 11 HD1 TRP 11 -8.270 29.617 3.131 64 HE1 TRP 11 HE1 TRP 11 -10.139 30.676 1.713 65 HE3 TRP 11 HE3 TRP 11 -10.817 32.055 6.833 66 HZ2 TRP 11 HZ2 TRP 11 -12.394 32.326 2.110 67 HZ3 TRP 11 HZ3 TRP 11 -12.819 33.352 6.230 68 HH2 TRP 11 HH2 TRP 11 -13.589 33.484 3.917 69 H VAL 12 HN VAL 12 -5.225 29.465 3.834 70 HA VAL 12 HA VAL 12 -5.285 26.653 3.948 71 HB VAL 12 HB VAL 12 -7.569 27.311 2.850 72 HG11 VAL 12 HG11 VAL 12 -5.795 27.382 0.417 73 HG12 VAL 12 HG12 VAL 12 -7.539 27.646 0.496 74 HG13 VAL 12 HG13 VAL 12 -6.434 28.829 1.197 75 HG21 VAL 12 HG21 VAL 12 -6.530 25.321 1.077 76 HG22 VAL 12 HG22 VAL 12 -5.851 25.084 2.687 77 HG23 VAL 12 HG23 VAL 12 -7.600 25.123 2.465 78 H LYS 13 HN LYS 13 -4.077 25.651 2.124 79 HA LYS 13 HA LYS 13 -2.319 27.576 0.760 80 HB2 LYS 13 HB1 LYS 13 -0.538 25.676 1.126 81 HB3 LYS 13 HB2 LYS 13 -0.841 26.871 2.379 82 HG2 LYS 13 HG1 LYS 13 -2.181 25.340 3.621 83 HG3 LYS 13 HG2 LYS 13 -2.159 24.168 2.301 84 HD2 LYS 13 HD1 LYS 13 -0.579 23.365 3.838 85 HD3 LYS 13 HD2 LYS 13 0.380 24.158 2.586 86 HE2 LYS 13 HE1 LYS 13 0.448 26.192 4.019 87 HE3 LYS 13 HE2 LYS 13 -0.369 25.276 5.285 88 HZ1 LYS 13 HZ1 LYS 13 1.477 23.787 5.420 89 HZ2 LYS 13 HZ2 LYS 13 2.072 25.366 5.537 90 HZ3 LYS 13 HZ3 LYS 13 2.237 24.506 4.090 91 H ASP 14 HN ASP 14 -4.675 25.856 -0.020 92 HA ASP 14 HA ASP 14 -3.364 24.244 -2.106 93 HB2 ASP 14 HB1 ASP 14 -5.610 23.733 -0.371 94 HB3 ASP 14 HB2 ASP 14 -6.112 23.635 -2.057 95 H GLU 15 HN GLU 15 -3.995 27.194 -2.042 96 HA GLU 15 HA GLU 15 -5.819 27.327 -4.345 97 HB2 GLU 15 HB1 GLU 15 -5.757 29.842 -3.786 98 HB3 GLU 15 HB2 GLU 15 -6.659 28.776 -2.718 99 HG2 GLU 15 HG1 GLU 15 -4.975 28.841 -1.068 100 HG3 GLU 15 HG2 GLU 15 -3.822 29.590 -2.172 101 H GLY 16 HN GLY 16 -2.554 27.635 -3.396 102 HA2 GLY 16 HA2 GLY 16 -0.855 27.622 -5.111 103 HA3 GLY 16 HA1 GLY 16 -1.895 28.653 -6.083 104 H GLY 17 HN GLY 17 -2.159 30.877 -5.451 105 HA2 GLY 17 HA2 GLY 17 -1.196 32.347 -3.461 106 HA3 GLY 17 HA1 GLY 17 0.299 31.927 -4.284 107 H ASP 18 HN ASP 18 0.322 32.423 -6.675 108 HA ASP 18 HA ASP 18 -1.420 34.254 -7.859 109 HB2 ASP 18 HB1 ASP 18 0.331 36.230 -7.723 110 HB3 ASP 18 HB2 ASP 18 -0.900 36.022 -6.481 111 H SER 19 HN SER 19 -0.422 32.166 -9.004 112 HA SER 19 HA SER 19 1.264 33.221 -11.095 113 HB2 SER 19 HB1 SER 19 2.251 30.744 -9.688 114 HB3 SER 19 HB2 SER 19 3.096 31.740 -10.873 115 HG SER 19 HG SER 19 2.988 31.997 -8.184 116 H CYS 20 HN CYS 20 0.869 32.256 -13.015 117 HA CYS 20 HA CYS 20 -1.388 30.719 -13.422 118 HB2 CYS 20 HB1 CYS 20 -0.147 32.006 -15.173 119 HB3 CYS 20 HB2 CYS 20 1.062 30.727 -15.195 120 H SER 21 HN SER 21 -1.664 28.515 -14.100 121 HA SER 21 HA SER 21 0.158 26.707 -12.684 122 HB2 SER 21 HB1 SER 21 -2.727 26.761 -13.175 123 HB3 SER 21 HB2 SER 21 -2.003 25.183 -13.485 124 HG SER 21 HG SER 21 -1.295 25.096 -11.404 125 H GLY 22 HN GLY 22 -1.133 27.436 -15.845 126 HA2 GLY 22 HA2 GLY 22 0.166 25.072 -16.995 127 HA3 GLY 22 HA1 GLY 22 -0.959 26.138 -17.824 128 H CYS 23 HN CYS 23 1.024 28.179 -16.259 129 HA CYS 23 HA CYS 23 3.112 28.155 -18.322 130 HB2 CYS 23 HB1 CYS 23 1.422 30.537 -17.538 131 HB3 CYS 23 HB2 CYS 23 2.891 30.644 -18.502 132 H SER 24 HN SER 24 2.044 28.978 -15.121 133 HA SER 24 HA SER 24 3.205 29.303 -13.185 134 HB2 SER 24 HB1 SER 24 5.877 29.109 -14.478 135 HB3 SER 24 HB2 SER 24 5.297 28.392 -12.975 136 HG SER 24 HG SER 24 5.325 26.672 -14.238 137 H VAL 25 HN VAL 25 2.976 31.308 -15.611 138 HA VAL 25 HA VAL 25 5.005 33.249 -15.128 139 HB VAL 25 HB VAL 25 3.972 33.311 -17.263 140 HG11 VAL 25 HG11 VAL 25 1.531 32.926 -15.724 141 HG12 VAL 25 HG12 VAL 25 1.361 34.136 -16.998 142 HG13 VAL 25 HG13 VAL 25 1.894 32.503 -17.397 143 HG21 VAL 25 HG21 VAL 25 2.876 35.648 -15.702 144 HG22 VAL 25 HG22 VAL 25 4.541 35.501 -16.266 145 HG23 VAL 25 HG23 VAL 25 3.221 35.603 -17.432 146 H ARG 26 HN ARG 26 5.182 34.432 -13.351 147 HA ARG 26 HA ARG 26 3.243 34.658 -11.353 148 HB2 ARG 26 HB1 ARG 26 5.443 36.663 -11.839 149 HB3 ARG 26 HB2 ARG 26 4.688 36.243 -10.308 150 HG2 ARG 26 HG1 ARG 26 6.498 34.498 -11.963 151 HG3 ARG 26 HG2 ARG 26 6.878 35.265 -10.419 152 HD2 ARG 26 HD1 ARG 26 4.622 33.885 -9.792 153 HD3 ARG 26 HD2 ARG 26 5.349 32.825 -10.998 154 HE ARG 26 HE ARG 26 6.956 32.273 -9.473 155 HH11 ARG 26 HH11 ARG 26 5.426 35.234 -8.468 156 HH12 ARG 26 HH12 ARG 26 6.254 35.299 -6.947 157 HH21 ARG 26 HH21 ARG 26 8.052 32.347 -7.475 158 HH22 ARG 26 HH22 ARG 26 7.748 33.656 -6.384 159 H PHE 27 HN PHE 27 1.323 35.596 -11.554 160 HA PHE 27 HA PHE 27 0.520 37.386 -13.498 161 HB2 PHE 27 HB1 PHE 27 -0.583 37.193 -10.687 162 HB3 PHE 27 HB2 PHE 27 -1.419 37.849 -12.091 163 HD1 PHE 27 HD1 PHE 27 -1.248 35.110 -10.033 164 HD2 PHE 27 HD2 PHE 27 -1.357 36.095 -14.172 165 HE1 PHE 27 HE1 PHE 27 -2.141 32.874 -10.538 166 HE2 PHE 27 HE2 PHE 27 -2.251 33.860 -14.684 167 HZ PHE 27 HZ PHE 27 -2.645 32.247 -12.865 168 H SER 28 HN SER 28 0.671 39.526 -13.808 169 HA SER 28 HA SER 28 1.515 41.246 -11.595 170 HB2 SER 28 HB1 SER 28 3.079 42.370 -13.375 171 HB3 SER 28 HB2 SER 28 3.633 40.941 -12.501 172 HG SER 28 HG SER 28 3.008 39.687 -14.299 173 H LEU 29 HN LEU 29 1.810 43.609 -12.862 174 HA LEU 29 HA LEU 29 -0.827 44.446 -13.310 175 HB2 LEU 29 HB1 LEU 29 1.486 45.981 -14.403 176 HB3 LEU 29 HB2 LEU 29 0.025 46.570 -13.614 177 HG LEU 29 HG LEU 29 2.547 45.523 -12.392 178 HD11 LEU 29 HD11 LEU 29 2.026 47.535 -10.901 179 HD12 LEU 29 HD12 LEU 29 0.834 47.970 -12.125 180 HD13 LEU 29 HD13 LEU 29 2.539 47.852 -12.558 181 HD21 LEU 29 HD21 LEU 29 -0.205 45.182 -11.376 182 HD22 LEU 29 HD22 LEU 29 0.988 45.791 -10.228 183 HD23 LEU 29 HD23 LEU 29 1.254 44.249 -11.044 184 H THR 30 HN THR 30 1.395 42.931 -15.390 185 HA THR 30 HA THR 30 -0.058 43.833 -17.781 186 HB THR 30 HB THR 30 2.068 44.092 -18.496 187 HG1 THR 30 HG1 THR 30 2.005 42.534 -19.921 188 HG21 THR 30 HG21 THR 30 4.019 42.909 -17.560 189 HG22 THR 30 HG22 THR 30 2.937 41.957 -16.543 190 HG23 THR 30 HG23 THR 30 3.061 43.700 -16.309 191 H GLU 31 HN GLU 31 0.301 41.201 -15.657 192 HA GLU 31 HA GLU 31 -1.111 39.453 -17.562 193 HB2 GLU 31 HB1 GLU 31 1.258 38.746 -17.094 194 HB3 GLU 31 HB2 GLU 31 0.792 38.509 -15.416 195 HG2 GLU 31 HG1 GLU 31 0.760 36.396 -16.519 196 HG3 GLU 31 HG2 GLU 31 -0.902 36.866 -16.168 197 H ARG 32 HN ARG 32 -3.162 39.399 -16.910 198 HA ARG 32 HA ARG 32 -3.963 39.808 -14.206 199 HB2 ARG 32 HB1 ARG 32 -5.369 39.093 -16.750 200 HB3 ARG 32 HB2 ARG 32 -6.217 38.926 -15.219 201 HG2 ARG 32 HG1 ARG 32 -5.373 41.387 -14.855 202 HG3 ARG 32 HG2 ARG 32 -5.286 41.377 -16.617 203 HD2 ARG 32 HD1 ARG 32 -7.760 40.232 -15.602 204 HD3 ARG 32 HD2 ARG 32 -7.527 41.904 -15.096 205 HE ARG 32 HE ARG 32 -8.103 40.964 -17.741 206 HH11 ARG 32 HH11 ARG 32 -6.619 43.511 -15.890 207 HH12 ARG 32 HH12 ARG 32 -6.801 44.701 -17.137 208 HH21 ARG 32 HH21 ARG 32 -8.349 42.521 -19.390 209 HH22 ARG 32 HH22 ARG 32 -7.786 44.137 -19.127 210 H ARG 33 HN ARG 33 -5.425 38.233 -13.066 211 HA ARG 33 HA ARG 33 -4.431 35.480 -13.405 212 HB2 ARG 33 HB1 ARG 33 -4.446 35.190 -11.015 213 HB3 ARG 33 HB2 ARG 33 -3.505 36.626 -11.397 214 HG2 ARG 33 HG1 ARG 33 -4.936 38.007 -10.346 215 HG3 ARG 33 HG2 ARG 33 -6.358 37.090 -10.850 216 HD2 ARG 33 HD1 ARG 33 -5.962 35.440 -9.146 217 HD3 ARG 33 HD2 ARG 33 -4.428 36.196 -8.715 218 HE ARG 33 HE ARG 33 -6.660 37.971 -8.453 219 HH11 ARG 33 HH11 ARG 33 -4.848 35.441 -6.891 220 HH12 ARG 33 HH12 ARG 33 -5.300 35.927 -5.291 221 HH21 ARG 33 HH21 ARG 33 -7.261 38.621 -6.351 222 HH22 ARG 33 HH22 ARG 33 -6.673 37.735 -4.984 223 H HIS 34 HN HIS 34 -5.880 33.787 -12.970 224 HA HIS 34 HA HIS 34 -8.654 34.449 -12.386 225 HB2 HIS 34 HB1 HIS 34 -8.171 32.726 -14.784 226 HB3 HIS 34 HB2 HIS 34 -9.584 33.691 -14.369 227 HD1 HIS 34 HD1 HIS 34 -9.291 36.341 -14.699 228 HD2 HIS 34 HD2 HIS 34 -6.408 33.939 -16.482 229 HE1 HIS 34 HE1 HIS 34 -8.142 37.809 -16.388 230 H HIS 35 HN HIS 35 -9.393 33.028 -10.964 231 HA HIS 35 HA HIS 35 -8.017 30.460 -10.678 232 HB2 HIS 35 HB1 HIS 35 -8.917 32.328 -8.817 233 HB3 HIS 35 HB2 HIS 35 -10.076 31.007 -8.700 234 HD1 HIS 35 HD1 HIS 35 -7.490 31.991 -6.807 235 HD2 HIS 35 HD2 HIS 35 -8.056 28.471 -8.941 236 HE1 HIS 35 HE1 HIS 35 -5.994 30.292 -5.711 237 H CYS 36 HN CYS 36 -8.868 28.737 -11.617 238 HA CYS 36 HA CYS 36 -11.500 28.713 -12.702 239 HB2 CYS 36 HB1 CYS 36 -9.527 27.460 -13.634 240 HB3 CYS 36 HB2 CYS 36 -9.669 26.345 -12.279 241 H ARG 37 HN ARG 37 -13.343 28.266 -11.708 242 HA ARG 37 HA ARG 37 -13.353 27.293 -8.998 243 HB2 ARG 37 HB1 ARG 37 -15.837 27.621 -10.638 244 HB3 ARG 37 HB2 ARG 37 -15.592 27.912 -8.922 245 HG2 ARG 37 HG1 ARG 37 -14.642 29.621 -11.208 246 HG3 ARG 37 HG2 ARG 37 -15.894 30.010 -10.027 247 HD2 ARG 37 HD1 ARG 37 -14.102 29.789 -8.255 248 HD3 ARG 37 HD2 ARG 37 -12.932 29.740 -9.572 249 HE ARG 37 HE ARG 37 -14.417 31.988 -10.040 250 HH11 ARG 37 HH11 ARG 37 -12.506 30.785 -7.390 251 HH12 ARG 37 HH12 ARG 37 -12.053 32.360 -6.830 252 HH21 ARG 37 HH21 ARG 37 -13.827 34.068 -9.313 253 HH22 ARG 37 HH22 ARG 37 -12.806 34.228 -7.924 254 H ASN 38 HN ASN 38 -12.973 25.729 -11.809 255 HA ASN 38 HA ASN 38 -14.765 23.498 -11.247 256 HB2 ASN 38 HB1 ASN 38 -14.319 24.421 -13.592 257 HB3 ASN 38 HB2 ASN 38 -12.740 23.650 -13.476 258 HD21 ASN 38 HD21 ASN 38 -15.689 21.531 -14.857 259 HD22 ASN 38 HD22 ASN 38 -15.497 23.247 -14.920 260 H CYS 39 HN CYS 39 -11.312 24.237 -11.362 261 HA CYS 39 HA CYS 39 -10.789 21.662 -10.026 262 HB2 CYS 39 HB1 CYS 39 -8.354 22.299 -10.953 263 HB3 CYS 39 HB2 CYS 39 -9.516 21.370 -11.894 264 H GLY 40 HN GLY 40 -10.082 25.107 -10.120 265 HA2 GLY 40 HA2 GLY 40 -9.798 26.360 -8.105 266 HA3 GLY 40 HA1 GLY 40 -9.167 24.913 -7.333 267 H GLN 41 HN GLN 41 -8.066 25.719 -10.510 268 HA GLN 41 HA GLN 41 -5.445 26.405 -9.374 269 HB2 GLN 41 HB1 GLN 41 -6.019 25.545 -12.208 270 HB3 GLN 41 HB2 GLN 41 -4.457 25.617 -11.403 271 HG2 GLN 41 HG1 GLN 41 -5.975 23.918 -9.820 272 HG3 GLN 41 HG2 GLN 41 -6.403 23.488 -11.475 273 HE21 GLN 41 HE21 GLN 41 -3.200 21.883 -10.017 274 HE22 GLN 41 HE22 GLN 41 -4.634 22.369 -9.186 275 H LEU 42 HN LEU 42 -4.226 28.125 -10.259 276 HA LEU 42 HA LEU 42 -5.899 30.265 -11.343 277 HB2 LEU 42 HB1 LEU 42 -3.544 30.113 -9.625 278 HB3 LEU 42 HB2 LEU 42 -3.424 31.357 -10.867 279 HG LEU 42 HG LEU 42 -5.715 31.143 -8.918 280 HD11 LEU 42 HD11 LEU 42 -3.073 32.511 -8.727 281 HD12 LEU 42 HD12 LEU 42 -4.001 31.671 -7.485 282 HD13 LEU 42 HD13 LEU 42 -4.499 33.275 -8.023 283 HD21 LEU 42 HD21 LEU 42 -5.266 33.754 -9.928 284 HD22 LEU 42 HD22 LEU 42 -6.664 32.706 -10.171 285 HD23 LEU 42 HD23 LEU 42 -5.307 32.641 -11.296 286 H PHE 43 HN PHE 43 -5.776 30.878 -13.397 287 HA PHE 43 HA PHE 43 -3.369 30.164 -14.937 288 HB2 PHE 43 HB1 PHE 43 -6.237 30.062 -15.896 289 HB3 PHE 43 HB2 PHE 43 -4.818 29.764 -16.895 290 HD1 PHE 43 HD1 PHE 43 -7.224 28.340 -14.682 291 HD2 PHE 43 HD2 PHE 43 -3.308 27.819 -16.266 292 HE1 PHE 43 HE1 PHE 43 -7.291 25.961 -14.056 293 HE2 PHE 43 HE2 PHE 43 -3.369 25.439 -15.644 294 HZ PHE 43 HZ PHE 43 -5.362 24.507 -14.538 295 H CYS 44 HN CYS 44 -3.075 31.493 -16.908 296 HA CYS 44 HA CYS 44 -3.626 34.284 -16.283 297 HB2 CYS 44 HB1 CYS 44 -1.977 34.783 -18.035 298 HB3 CYS 44 HB2 CYS 44 -1.328 33.655 -16.849 299 H GLN 45 HN GLN 45 -4.304 35.770 -17.996 300 HA GLN 45 HA GLN 45 -6.710 35.036 -19.174 301 HB2 GLN 45 HB1 GLN 45 -6.490 37.320 -18.937 302 HB3 GLN 45 HB2 GLN 45 -4.832 37.329 -19.523 303 HG2 GLN 45 HG1 GLN 45 -5.448 37.495 -21.692 304 HG3 GLN 45 HG2 GLN 45 -6.925 36.560 -21.460 305 HE21 GLN 45 HE21 GLN 45 -8.365 39.729 -22.088 306 HE22 GLN 45 HE22 GLN 45 -7.811 38.275 -22.837 307 H LYS 46 HN LYS 46 -3.479 34.583 -20.281 308 HA LYS 46 HA LYS 46 -4.271 34.106 -23.035 309 HB2 LYS 46 HB1 LYS 46 -1.948 35.004 -21.908 310 HB3 LYS 46 HB2 LYS 46 -1.564 33.312 -22.200 311 HG2 LYS 46 HG1 LYS 46 -2.857 34.503 -24.490 312 HG3 LYS 46 HG2 LYS 46 -1.412 35.401 -24.018 313 HD2 LYS 46 HD1 LYS 46 -0.049 33.773 -24.725 314 HD3 LYS 46 HD2 LYS 46 -1.021 32.516 -23.955 315 HE2 LYS 46 HE1 LYS 46 -1.332 31.936 -26.136 316 HE3 LYS 46 HE2 LYS 46 -2.662 33.079 -25.956 317 HZ1 LYS 46 HZ1 LYS 46 -0.046 34.083 -26.826 318 HZ2 LYS 46 HZ2 LYS 46 -1.594 34.659 -27.189 319 HZ3 LYS 46 HZ3 LYS 46 -1.012 33.264 -27.948 320 H CYS 47 HN CYS 47 -4.024 32.355 -20.142 321 HA CYS 47 HA CYS 47 -3.470 29.796 -21.369 322 HB2 CYS 47 HB1 CYS 47 -3.478 30.866 -18.713 323 HB3 CYS 47 HB2 CYS 47 -4.528 29.454 -18.757 324 H SER 48 HN SER 48 -6.249 31.288 -19.714 325 HA SER 48 HA SER 48 -7.984 29.187 -20.781 326 HB2 SER 48 HB1 SER 48 -8.939 31.380 -18.969 327 HB3 SER 48 HB2 SER 48 -9.521 29.722 -19.113 328 HG SER 48 HG SER 48 -7.990 30.517 -17.271 329 H ARG 49 HN ARG 49 -7.499 32.674 -20.871 330 HA ARG 49 HA ARG 49 -8.617 34.325 -22.034 331 HB2 ARG 49 HB1 ARG 49 -8.538 33.803 -24.537 332 HB3 ARG 49 HB2 ARG 49 -7.014 33.760 -23.659 333 HG2 ARG 49 HG1 ARG 49 -7.340 31.265 -23.463 334 HG3 ARG 49 HG2 ARG 49 -8.660 31.441 -24.620 335 HD2 ARG 49 HD1 ARG 49 -6.226 32.791 -25.468 336 HD3 ARG 49 HD2 ARG 49 -5.997 31.059 -25.228 337 HE ARG 49 HE ARG 49 -8.346 31.557 -26.730 338 HH11 ARG 49 HH11 ARG 49 -4.874 31.540 -26.982 339 HH12 ARG 49 HH12 ARG 49 -4.869 31.201 -28.681 340 HH21 ARG 49 HH21 ARG 49 -8.352 31.111 -28.967 341 HH22 ARG 49 HH22 ARG 49 -6.848 30.958 -29.809 342 H PHE 50 HN PHE 50 -10.413 32.337 -20.850 343 HA PHE 50 HA PHE 50 -12.716 32.823 -22.593 344 HB2 PHE 50 HB1 PHE 50 -11.983 30.158 -21.369 345 HB3 PHE 50 HB2 PHE 50 -13.569 30.521 -22.042 346 HD1 PHE 50 HD1 PHE 50 -11.057 28.576 -22.775 347 HD2 PHE 50 HD2 PHE 50 -12.887 32.037 -24.447 348 HE1 PHE 50 HE1 PHE 50 -10.254 27.919 -25.006 349 HE2 PHE 50 HE2 PHE 50 -12.088 31.384 -26.680 350 HZ PHE 50 HZ PHE 50 -10.770 29.323 -26.963 351 H GLN 51 HN GLN 51 -14.803 32.220 -21.348 352 HA GLN 51 HA GLN 51 -14.679 32.427 -18.486 353 HB2 GLN 51 HB1 GLN 51 -14.976 34.821 -20.113 354 HB3 GLN 51 HB2 GLN 51 -16.333 34.595 -19.018 355 HG2 GLN 51 HG1 GLN 51 -14.108 34.089 -17.450 356 HG3 GLN 51 HG2 GLN 51 -13.629 35.449 -18.465 357 HE21 GLN 51 HE21 GLN 51 -15.937 37.716 -17.061 358 HE22 GLN 51 HE22 GLN 51 -15.036 37.322 -18.482 359 H SER 52 HN SER 52 -16.390 31.430 -17.632 360 HA SER 52 HA SER 52 -19.029 31.608 -18.592 361 HB2 SER 52 HB1 SER 52 -17.418 29.757 -20.022 362 HB3 SER 52 HB2 SER 52 -18.531 28.822 -19.024 363 HG SER 52 HG SER 52 -20.167 30.378 -19.920 364 H GLU 53 HN GLU 53 -20.397 29.711 -17.609 365 HA GLU 53 HA GLU 53 -19.654 29.591 -14.809 366 HB2 GLU 53 HB1 GLU 53 -21.932 28.618 -14.518 367 HB3 GLU 53 HB2 GLU 53 -21.929 30.198 -15.288 368 HG2 GLU 53 HG1 GLU 53 -23.173 29.342 -16.900 369 HG3 GLU 53 HG2 GLU 53 -21.788 28.366 -17.384 370 H ILE 54 HN ILE 54 -20.442 27.397 -13.724 371 HA ILE 54 HA ILE 54 -19.424 25.124 -15.277 372 HB ILE 54 HB ILE 54 -18.606 25.608 -12.415 373 HG12 ILE 54 HG11 ILE 54 -16.869 25.979 -14.857 374 HG13 ILE 54 HG12 ILE 54 -17.696 27.314 -14.061 375 HG21 ILE 54 HG21 ILE 54 -18.704 23.263 -13.479 376 HG22 ILE 54 HG22 ILE 54 -17.285 23.782 -14.387 377 HG23 ILE 54 HG23 ILE 54 -17.237 23.740 -12.625 378 HD11 ILE 54 HD11 ILE 54 -16.045 27.493 -12.608 379 HD12 ILE 54 HD12 ILE 54 -16.268 25.817 -12.106 380 HD13 ILE 54 HD13 ILE 54 -15.189 26.199 -13.447 381 H LYS 55 HN LYS 55 -21.595 24.437 -15.445 382 HA LYS 55 HA LYS 55 -23.389 24.117 -13.335 383 HB2 LYS 55 HB1 LYS 55 -23.100 22.999 -16.062 384 HB3 LYS 55 HB2 LYS 55 -24.118 22.086 -14.957 385 HG2 LYS 55 HG1 LYS 55 -24.461 25.011 -15.580 386 HG3 LYS 55 HG2 LYS 55 -25.370 23.701 -16.337 387 HD2 LYS 55 HD1 LYS 55 -26.805 23.695 -14.639 388 HD3 LYS 55 HD2 LYS 55 -25.488 23.380 -13.506 389 HE2 LYS 55 HE1 LYS 55 -25.034 25.801 -13.408 390 HE3 LYS 55 HE2 LYS 55 -26.400 26.084 -14.485 391 HZ1 LYS 55 HZ1 LYS 55 -26.419 25.146 -11.690 392 HZ2 LYS 55 HZ2 LYS 55 -27.728 24.824 -12.711 393 HZ3 LYS 55 HZ3 LYS 55 -27.281 26.424 -12.388 394 H ARG 56 HN ARG 56 -20.832 21.997 -14.509 395 HA ARG 56 HA ARG 56 -21.489 19.701 -13.046 396 HB2 ARG 56 HB1 ARG 56 -19.306 18.922 -13.531 397 HB3 ARG 56 HB2 ARG 56 -19.773 19.920 -14.901 398 HG2 ARG 56 HG1 ARG 56 -18.101 21.353 -14.565 399 HG3 ARG 56 HG2 ARG 56 -18.389 21.417 -12.825 400 HD2 ARG 56 HD1 ARG 56 -16.857 19.304 -14.335 401 HD3 ARG 56 HD2 ARG 56 -16.189 20.519 -13.246 402 HE ARG 56 HE ARG 56 -18.094 18.986 -11.863 403 HH11 ARG 56 HH11 ARG 56 -14.915 18.706 -13.252 404 HH12 ARG 56 HH12 ARG 56 -14.396 17.479 -12.144 405 HH21 ARG 56 HH21 ARG 56 -17.424 17.372 -10.398 406 HH22 ARG 56 HH22 ARG 56 -15.825 16.720 -10.521 407 H LEU 57 HN LEU 57 -20.325 22.725 -12.003 408 HA LEU 57 HA LEU 57 -19.523 21.588 -9.407 409 HB2 LEU 57 HB1 LEU 57 -18.468 23.771 -11.053 410 HB3 LEU 57 HB2 LEU 57 -18.661 24.178 -9.349 411 HG LEU 57 HG LEU 57 -16.388 23.399 -9.922 412 HD11 LEU 57 HD11 LEU 57 -16.110 22.033 -8.018 413 HD12 LEU 57 HD12 LEU 57 -17.759 21.416 -8.125 414 HD13 LEU 57 HD13 LEU 57 -17.473 23.093 -7.660 415 HD21 LEU 57 HD21 LEU 57 -16.104 20.943 -10.318 416 HD22 LEU 57 HD22 LEU 57 -16.820 21.831 -11.664 417 HD23 LEU 57 HD23 LEU 57 -17.841 20.852 -10.610 418 H LYS 58 HN LYS 58 -22.216 22.492 -10.605 419 HA LYS 58 HA LYS 58 -24.153 23.348 -9.768 420 HB2 LYS 58 HB1 LYS 58 -22.701 23.938 -7.196 421 HB3 LYS 58 HB2 LYS 58 -24.414 23.613 -7.428 422 HG2 LYS 58 HG1 LYS 58 -23.571 21.295 -8.272 423 HG3 LYS 58 HG2 LYS 58 -22.116 21.716 -7.366 424 HD2 LYS 58 HD1 LYS 58 -23.422 22.004 -5.344 425 HD3 LYS 58 HD2 LYS 58 -24.914 21.697 -6.235 426 HE2 LYS 58 HE1 LYS 58 -23.672 19.461 -6.868 427 HE3 LYS 58 HE2 LYS 58 -22.773 19.806 -5.392 428 HZ1 LYS 58 HZ1 LYS 58 -24.654 19.602 -4.096 429 HZ2 LYS 58 HZ2 LYS 58 -24.903 18.396 -5.256 430 HZ3 LYS 58 HZ3 LYS 58 -25.718 19.873 -5.383 431 H ILE 59 HN ILE 59 -22.005 25.014 -10.997 432 HA ILE 59 HA ILE 59 -22.740 27.632 -9.865 433 HB ILE 59 HB ILE 59 -20.417 27.056 -11.701 434 HG12 ILE 59 HG11 ILE 59 -20.431 27.351 -8.689 435 HG13 ILE 59 HG12 ILE 59 -20.149 25.853 -9.569 436 HG21 ILE 59 HG21 ILE 59 -21.318 29.375 -11.648 437 HG22 ILE 59 HG22 ILE 59 -20.950 29.430 -9.925 438 HG23 ILE 59 HG23 ILE 59 -19.647 29.245 -11.098 439 HD11 ILE 59 HD11 ILE 59 -18.368 28.182 -9.161 440 HD12 ILE 59 HD12 ILE 59 -18.006 26.456 -9.143 441 HD13 ILE 59 HD13 ILE 59 -18.234 27.293 -10.679 442 H SER 60 HN SER 60 -24.233 28.700 -10.965 443 HA SER 60 HA SER 60 -24.625 28.103 -13.807 444 HB2 SER 60 HB1 SER 60 -26.825 28.399 -13.438 445 HB3 SER 60 HB2 SER 60 -26.430 28.411 -11.720 446 HG SER 60 HG SER 60 -26.907 30.449 -11.667 447 H SER 61 HN SER 61 -23.478 30.545 -11.680 448 HA SER 61 HA SER 61 -23.802 32.725 -13.541 449 HB2 SER 61 HB1 SER 61 -21.860 33.076 -11.359 450 HB3 SER 61 HB2 SER 61 -23.256 34.061 -11.797 451 HG SER 61 HG SER 61 -23.228 32.743 -9.718 452 HA PRO 62 HA PRO 62 -20.089 32.273 -15.838 453 HB2 PRO 62 HB1 PRO 62 -19.502 34.870 -16.366 454 HB3 PRO 62 HB2 PRO 62 -20.836 34.010 -17.143 455 HG2 PRO 62 HG1 PRO 62 -20.897 35.899 -14.822 456 HG3 PRO 62 HG2 PRO 62 -21.995 35.798 -16.211 457 HD2 PRO 62 HD1 PRO 62 -22.614 34.764 -13.786 458 HD3 PRO 62 HD2 PRO 62 -23.180 34.041 -15.305 459 H VAL 63 HN VAL 63 -18.168 31.709 -15.049 460 HA VAL 63 HA VAL 63 -16.713 33.608 -13.349 461 HB VAL 63 HB VAL 63 -15.935 31.784 -11.894 462 HG11 VAL 63 HG11 VAL 63 -17.592 32.322 -10.517 463 HG12 VAL 63 HG12 VAL 63 -18.456 33.015 -11.891 464 HG13 VAL 63 HG13 VAL 63 -18.731 31.334 -11.431 465 HG21 VAL 63 HG21 VAL 63 -17.396 29.658 -11.981 466 HG22 VAL 63 HG22 VAL 63 -17.747 30.153 -13.638 467 HG23 VAL 63 HG23 VAL 63 -16.084 29.829 -13.148 468 H ARG 64 HN ARG 64 -14.387 32.569 -12.961 469 HA ARG 64 HA ARG 64 -13.198 32.421 -15.554 470 HB2 ARG 64 HB1 ARG 64 -11.747 31.771 -13.006 471 HB3 ARG 64 HB2 ARG 64 -11.131 32.544 -14.461 472 HG2 ARG 64 HG1 ARG 64 -12.965 33.745 -12.401 473 HG3 ARG 64 HG2 ARG 64 -11.287 34.182 -12.730 474 HD2 ARG 64 HD1 ARG 64 -13.652 34.553 -14.562 475 HD3 ARG 64 HD2 ARG 64 -12.751 35.818 -13.727 476 HE ARG 64 HE ARG 64 -11.134 34.204 -15.470 477 HH11 ARG 64 HH11 ARG 64 -13.226 36.978 -15.257 478 HH12 ARG 64 HH12 ARG 64 -12.552 37.757 -16.651 479 HH21 ARG 64 HH21 ARG 64 -10.238 35.218 -17.307 480 HH22 ARG 64 HH22 ARG 64 -10.854 36.754 -17.817 481 H VAL 65 HN VAL 65 -12.588 30.693 -16.705 482 HA VAL 65 HA VAL 65 -12.302 28.095 -15.410 483 HB VAL 65 HB VAL 65 -13.711 26.987 -17.130 484 HG11 VAL 65 HG11 VAL 65 -15.595 27.145 -15.861 485 HG12 VAL 65 HG12 VAL 65 -14.464 27.950 -14.772 486 HG13 VAL 65 HG13 VAL 65 -15.537 28.906 -15.794 487 HG21 VAL 65 HG21 VAL 65 -14.618 29.793 -17.769 488 HG22 VAL 65 HG22 VAL 65 -13.626 28.775 -18.813 489 HG23 VAL 65 HG23 VAL 65 -15.283 28.302 -18.438 490 H CYS 66 HN CYS 66 -10.706 26.909 -16.279 491 HA CYS 66 HA CYS 66 -9.003 28.039 -18.239 492 HB2 CYS 66 HB1 CYS 66 -7.860 25.779 -18.129 493 HB3 CYS 66 HB2 CYS 66 -8.004 26.636 -16.598 494 H GLN 67 HN GLN 67 -8.360 27.008 -20.270 495 HA GLN 67 HA GLN 67 -10.484 26.668 -22.028 496 HB2 GLN 67 HB1 GLN 67 -8.402 27.286 -22.952 497 HB3 GLN 67 HB2 GLN 67 -7.574 25.922 -22.212 498 HG2 GLN 67 HG1 GLN 67 -8.739 24.390 -23.699 499 HG3 GLN 67 HG2 GLN 67 -9.604 25.742 -24.427 500 HE21 GLN 67 HE21 GLN 67 -6.571 27.030 -25.963 501 HE22 GLN 67 HE22 GLN 67 -7.855 27.593 -24.953 502 H ASN 68 HN ASN 68 -8.504 24.234 -20.386 503 HA ASN 68 HA ASN 68 -9.471 21.949 -21.627 504 HB2 ASN 68 HB1 ASN 68 -7.633 21.633 -20.205 505 HB3 ASN 68 HB2 ASN 68 -8.409 22.470 -18.864 506 HD21 ASN 68 HD21 ASN 68 -8.860 18.504 -19.389 507 HD22 ASN 68 HD22 ASN 68 -7.928 19.489 -20.459 508 H CYS 69 HN CYS 69 -10.663 23.473 -18.633 509 HA CYS 69 HA CYS 69 -12.880 21.726 -18.351 510 HB2 CYS 69 HB1 CYS 69 -12.164 24.392 -17.150 511 HB3 CYS 69 HB2 CYS 69 -13.709 23.622 -16.806 512 H TYR 70 HN TYR 70 -12.682 25.121 -19.422 513 HA TYR 70 HA TYR 70 -15.322 25.562 -20.039 514 HB2 TYR 70 HB1 TYR 70 -13.652 27.328 -20.147 515 HB3 TYR 70 HB2 TYR 70 -12.880 26.552 -21.525 516 HD1 TYR 70 HD1 TYR 70 -15.558 28.724 -20.426 517 HD2 TYR 70 HD2 TYR 70 -14.061 26.482 -23.718 518 HE1 TYR 70 HE1 TYR 70 -17.001 30.008 -21.949 519 HE2 TYR 70 HE2 TYR 70 -15.499 27.761 -25.250 520 HH TYR 70 HH TYR 70 -16.643 30.407 -24.922 521 H TYR 71 HN TYR 71 -12.871 23.935 -21.988 522 HA TYR 71 HA TYR 71 -14.225 23.703 -24.392 523 HB2 TYR 71 HB1 TYR 71 -12.009 22.324 -23.069 524 HB3 TYR 71 HB2 TYR 71 -12.903 21.289 -24.178 525 HD1 TYR 71 HD1 TYR 71 -11.350 21.042 -25.929 526 HD2 TYR 71 HD2 TYR 71 -12.321 24.938 -24.521 527 HE1 TYR 71 HE1 TYR 71 -10.135 22.025 -27.829 528 HE2 TYR 71 HE2 TYR 71 -11.111 25.931 -26.418 529 HH TYR 71 HH TYR 71 -10.476 24.720 -29.034 530 H ASN 72 HN ASN 72 -14.386 21.608 -21.536 531 HA ASN 72 HA ASN 72 -16.323 19.853 -22.745 532 HB2 ASN 72 HB1 ASN 72 -14.878 20.003 -20.158 533 HB3 ASN 72 HB2 ASN 72 -16.439 19.189 -20.138 534 HD21 ASN 72 HD21 ASN 72 -15.157 16.259 -21.394 535 HD22 ASN 72 HD22 ASN 72 -16.363 17.101 -20.489 536 H LEU 73 HN LEU 73 -16.352 22.640 -20.646 537 HA LEU 73 HA LEU 73 -18.940 22.411 -19.599 538 HB2 LEU 73 HB1 LEU 73 -17.240 24.814 -20.217 539 HB3 LEU 73 HB2 LEU 73 -18.801 24.925 -19.405 540 HG LEU 73 HG LEU 73 -16.452 23.361 -18.341 541 HD11 LEU 73 HD11 LEU 73 -15.581 25.223 -17.511 542 HD12 LEU 73 HD12 LEU 73 -17.134 25.704 -16.828 543 HD13 LEU 73 HD13 LEU 73 -16.727 26.143 -18.487 544 HD21 LEU 73 HD21 LEU 73 -18.105 22.471 -17.112 545 HD22 LEU 73 HD22 LEU 73 -19.242 23.755 -17.524 546 HD23 LEU 73 HD23 LEU 73 -18.055 24.004 -16.242 547 H GLN 74 HN GLN 74 -17.783 23.529 -22.701 548 HA GLN 74 HA GLN 74 -20.366 24.587 -23.475 549 HB2 GLN 74 HB1 GLN 74 -17.798 24.219 -25.025 550 HB3 GLN 74 HB2 GLN 74 -19.250 24.971 -25.674 551 HG2 GLN 74 HG1 GLN 74 -17.436 25.969 -23.508 552 HG3 GLN 74 HG2 GLN 74 -17.864 26.741 -25.034 553 HE21 GLN 74 HE21 GLN 74 -21.020 27.903 -23.887 554 HE22 GLN 74 HE22 GLN 74 -20.194 27.298 -25.278 555 H HIS 75 HN HIS 75 -18.620 21.620 -23.705 556 HA HIS 75 HA HIS 75 -20.075 20.543 -25.923 557 HB2 HIS 75 HB1 HIS 75 -17.743 19.855 -24.876 558 HB3 HIS 75 HB2 HIS 75 -18.749 18.776 -23.913 559 HD1 HIS 75 HD1 HIS 75 -18.380 19.619 -27.613 560 HD2 HIS 75 HD2 HIS 75 -19.056 16.378 -25.102 561 HE1 HIS 75 HE1 HIS 75 -18.503 17.612 -29.124 562 H GLU 76 HN GLU 76 -20.552 20.717 -22.491 563 HA GLU 76 HA GLU 76 -22.418 18.590 -22.254 564 HB2 GLU 76 HB1 GLU 76 -22.835 19.389 -20.063 565 HB3 GLU 76 HB2 GLU 76 -21.131 19.696 -20.371 566 HG2 GLU 76 HG1 GLU 76 -21.543 21.753 -19.640 567 HG3 GLU 76 HG2 GLU 76 -22.301 22.020 -21.209 568 H ARG 77 HN ARG 77 -22.640 21.846 -23.374 569 HA ARG 77 HA ARG 77 -25.513 22.006 -23.074 570 HB2 ARG 77 HB1 ARG 77 -23.723 23.850 -24.658 571 HB3 ARG 77 HB2 ARG 77 -25.332 24.192 -24.037 572 HG2 ARG 77 HG1 ARG 77 -24.052 23.604 -21.741 573 HG3 ARG 77 HG2 ARG 77 -22.722 24.276 -22.687 574 HD2 ARG 77 HD1 ARG 77 -23.556 26.184 -21.734 575 HD3 ARG 77 HD2 ARG 77 -24.483 26.146 -23.234 576 HE ARG 77 HE ARG 77 -25.940 24.760 -21.310 577 HH11 ARG 77 HH11 ARG 77 -24.814 28.000 -21.906 578 HH12 ARG 77 HH12 ARG 77 -26.131 28.752 -21.067 579 HH21 ARG 77 HH21 ARG 77 -27.679 25.738 -20.203 580 HH22 ARG 77 HH22 ARG 77 -27.759 27.464 -20.098 581 H GLY 78 HN GLY 78 -23.207 21.084 -25.505 582 HA2 GLY 78 HA2 GLY 78 -24.632 21.400 -27.851 583 HA3 GLY 78 HA1 GLY 78 -23.496 20.092 -27.557 Start of MODEL 16 1 H1 SER 1 HN SER 1 -11.233 31.020 21.600 2 HA SER 1 HA SER 1 -10.686 28.595 23.011 3 HB2 SER 1 HB1 SER 1 -13.555 29.068 23.269 4 HB3 SER 1 HB2 SER 1 -12.404 28.465 24.461 5 HG SER 1 HG SER 1 -13.203 31.093 23.917 6 H ASN 2 HN ASN 2 -10.671 27.162 21.423 7 HA ASN 2 HA ASN 2 -12.924 27.005 19.590 8 HB2 ASN 2 HB1 ASN 2 -10.176 26.951 18.385 9 HB3 ASN 2 HB2 ASN 2 -11.726 27.249 17.603 10 HD21 ASN 2 HD21 ASN 2 -11.749 30.682 18.202 11 HD22 ASN 2 HD22 ASN 2 -12.652 29.289 17.724 12 H ALA 3 HN ALA 3 -12.035 25.126 17.850 13 HA ALA 3 HA ALA 3 -11.472 22.850 19.626 14 HB1 ALA 3 HB1 ALA 3 -12.972 21.634 18.490 15 HB2 ALA 3 HB2 ALA 3 -13.558 23.194 17.909 16 HB3 ALA 3 HB3 ALA 3 -12.436 22.251 16.927 17 H GLY 4 HN GLY 4 -10.934 23.711 16.197 18 HA2 GLY 4 HA2 GLY 4 -8.352 23.872 15.830 19 HA3 GLY 4 HA1 GLY 4 -8.437 22.173 16.274 20 H ARG 5 HN ARG 5 -7.864 23.853 13.719 21 HA ARG 5 HA ARG 5 -8.627 21.908 11.861 22 HB2 ARG 5 HB1 ARG 5 -10.727 23.712 12.502 23 HB3 ARG 5 HB2 ARG 5 -10.176 24.098 10.877 24 HG2 ARG 5 HG1 ARG 5 -10.325 21.421 10.690 25 HG3 ARG 5 HG2 ARG 5 -11.587 21.721 11.886 26 HD2 ARG 5 HD1 ARG 5 -11.560 23.494 9.523 27 HD3 ARG 5 HD2 ARG 5 -12.003 21.812 9.235 28 HE ARG 5 HE ARG 5 -13.578 23.802 10.542 29 HH11 ARG 5 HH11 ARG 5 -12.889 20.391 10.428 30 HH12 ARG 5 HH12 ARG 5 -14.442 19.925 11.039 31 HH21 ARG 5 HH21 ARG 5 -15.626 23.200 11.347 32 HH22 ARG 5 HH22 ARG 5 -15.998 21.523 11.560 33 H SER 6 HN SER 6 -8.617 25.475 11.749 34 HA SER 6 HA SER 6 -6.162 25.358 10.145 35 HB2 SER 6 HB1 SER 6 -8.711 25.957 9.094 36 HB3 SER 6 HB2 SER 6 -7.852 27.493 9.201 37 HG SER 6 HG SER 6 -7.596 25.928 7.268 38 H ALA 7 HN ALA 7 -5.779 27.991 9.636 39 HA ALA 7 HA ALA 7 -5.393 29.075 12.333 40 HB1 ALA 7 HB1 ALA 7 -4.041 29.688 9.712 41 HB2 ALA 7 HB2 ALA 7 -3.752 30.591 11.200 42 HB3 ALA 7 HB3 ALA 7 -3.353 28.875 11.119 43 H ALA 8 HN ALA 8 -5.597 31.435 12.610 44 HA ALA 8 HA ALA 8 -8.145 32.346 11.837 45 HB1 ALA 8 HB1 ALA 8 -7.718 34.240 13.111 46 HB2 ALA 8 HB2 ALA 8 -6.698 33.014 13.865 47 HB3 ALA 8 HB3 ALA 8 -5.988 34.201 12.771 48 H ASP 9 HN ASP 9 -5.136 32.440 10.230 49 HA ASP 9 HA ASP 9 -6.258 33.648 7.916 50 HB2 ASP 9 HB1 ASP 9 -5.348 35.489 9.786 51 HB3 ASP 9 HB2 ASP 9 -4.011 35.353 8.647 52 H HIS 10 HN HIS 10 -5.407 32.297 6.479 53 HA HIS 10 HA HIS 10 -2.518 31.732 6.633 54 HB2 HIS 10 HB1 HIS 10 -3.136 29.629 5.315 55 HB3 HIS 10 HB2 HIS 10 -3.599 29.669 7.013 56 HD1 HIS 10 HD1 HIS 10 -4.955 29.197 3.662 57 HD2 HIS 10 HD2 HIS 10 -6.433 30.251 7.399 58 HE1 HIS 10 HE1 HIS 10 -7.444 28.869 3.518 59 H TRP 11 HN TRP 11 -5.211 32.652 4.619 60 HA TRP 11 HA TRP 11 -5.362 33.268 2.417 61 HB2 TRP 11 HB1 TRP 11 -3.745 35.013 1.783 62 HB3 TRP 11 HB2 TRP 11 -4.337 35.246 3.426 63 HD1 TRP 11 HD1 TRP 11 -1.193 34.039 1.547 64 HE1 TRP 11 HE1 TRP 11 0.837 34.333 3.102 65 HE3 TRP 11 HE3 TRP 11 -3.633 35.494 5.797 66 HZ2 TRP 11 HZ2 TRP 11 1.337 35.083 5.777 67 HZ3 TRP 11 HZ3 TRP 11 -2.305 35.981 7.811 68 HH2 TRP 11 HH2 TRP 11 0.128 35.778 7.799 69 H VAL 12 HN VAL 12 -4.068 30.692 2.878 70 HA VAL 12 HA VAL 12 -2.860 30.403 0.256 71 HB VAL 12 HB VAL 12 -1.359 29.636 2.763 72 HG11 VAL 12 HG11 VAL 12 0.383 29.032 0.878 73 HG12 VAL 12 HG12 VAL 12 -0.831 27.867 1.410 74 HG13 VAL 12 HG13 VAL 12 -1.080 28.787 -0.075 75 HG21 VAL 12 HG21 VAL 12 -0.867 31.869 2.418 76 HG22 VAL 12 HG22 VAL 12 0.415 31.067 1.511 77 HG23 VAL 12 HG23 VAL 12 -0.982 31.732 0.663 78 H LYS 13 HN LYS 13 -3.082 28.362 -0.597 79 HA LYS 13 HA LYS 13 -4.244 26.287 1.125 80 HB2 LYS 13 HB1 LYS 13 -5.902 27.683 -0.382 81 HB3 LYS 13 HB2 LYS 13 -5.301 26.624 -1.651 82 HG2 LYS 13 HG1 LYS 13 -6.420 24.843 -0.873 83 HG3 LYS 13 HG2 LYS 13 -6.116 25.258 0.816 84 HD2 LYS 13 HD1 LYS 13 -8.419 25.520 0.606 85 HD3 LYS 13 HD2 LYS 13 -7.808 27.165 0.421 86 HE2 LYS 13 HE1 LYS 13 -7.769 26.195 -2.152 87 HE3 LYS 13 HE2 LYS 13 -9.224 25.462 -1.478 88 HZ1 LYS 13 HZ1 LYS 13 -8.740 28.328 -1.059 89 HZ2 LYS 13 HZ2 LYS 13 -10.206 27.490 -1.153 90 HZ3 LYS 13 HZ3 LYS 13 -9.321 27.806 -2.559 91 H ASP 14 HN ASP 14 -1.567 26.653 0.048 92 HA ASP 14 HA ASP 14 0.065 25.543 -1.102 93 HB2 ASP 14 HB1 ASP 14 -1.623 23.077 -0.744 94 HB3 ASP 14 HB2 ASP 14 0.132 23.219 -0.714 95 H GLU 15 HN GLU 15 -1.938 26.706 -2.760 96 HA GLU 15 HA GLU 15 -2.119 24.761 -4.961 97 HB2 GLU 15 HB1 GLU 15 -4.235 25.851 -4.042 98 HB3 GLU 15 HB2 GLU 15 -3.650 27.349 -4.754 99 HG2 GLU 15 HG1 GLU 15 -4.939 26.644 -6.467 100 HG3 GLU 15 HG2 GLU 15 -3.453 25.801 -6.900 101 H GLY 16 HN GLY 16 -0.597 27.629 -3.920 102 HA2 GLY 16 HA2 GLY 16 1.339 27.852 -5.758 103 HA3 GLY 16 HA1 GLY 16 -0.013 28.599 -6.595 104 H GLY 17 HN GLY 17 -0.471 30.688 -6.202 105 HA2 GLY 17 HA2 GLY 17 -0.262 32.123 -3.885 106 HA3 GLY 17 HA1 GLY 17 1.353 32.193 -4.573 107 H ASP 18 HN ASP 18 1.352 32.806 -6.987 108 HA ASP 18 HA ASP 18 -0.796 34.483 -7.884 109 HB2 ASP 18 HB1 ASP 18 1.681 35.677 -6.698 110 HB3 ASP 18 HB2 ASP 18 0.891 36.489 -8.047 111 H SER 19 HN SER 19 0.530 32.231 -8.938 112 HA SER 19 HA SER 19 1.571 33.397 -11.415 113 HB2 SER 19 HB1 SER 19 2.994 30.970 -10.938 114 HB3 SER 19 HB2 SER 19 3.641 32.602 -11.106 115 HG SER 19 HG SER 19 3.213 32.882 -8.851 116 H CYS 20 HN CYS 20 1.107 32.243 -13.268 117 HA CYS 20 HA CYS 20 -1.218 30.763 -13.374 118 HB2 CYS 20 HB1 CYS 20 -0.094 31.849 -15.319 119 HB3 CYS 20 HB2 CYS 20 1.091 30.547 -15.315 120 H SER 21 HN SER 21 -1.625 28.526 -13.826 121 HA SER 21 HA SER 21 0.185 26.776 -12.344 122 HB2 SER 21 HB1 SER 21 -2.602 26.993 -12.456 123 HB3 SER 21 HB2 SER 21 -2.232 25.495 -13.312 124 HG SER 21 HG SER 21 -1.398 24.650 -11.514 125 H GLY 22 HN GLY 22 -1.119 27.271 -15.552 126 HA2 GLY 22 HA2 GLY 22 0.210 24.835 -16.514 127 HA3 GLY 22 HA1 GLY 22 -0.969 25.784 -17.407 128 H CYS 23 HN CYS 23 1.044 27.970 -16.030 129 HA CYS 23 HA CYS 23 3.046 27.850 -18.170 130 HB2 CYS 23 HB1 CYS 23 1.362 30.267 -17.485 131 HB3 CYS 23 HB2 CYS 23 2.767 30.297 -18.546 132 H SER 24 HN SER 24 2.069 28.891 -15.001 133 HA SER 24 HA SER 24 3.276 29.408 -13.139 134 HB2 SER 24 HB1 SER 24 4.802 27.574 -14.062 135 HB3 SER 24 HB2 SER 24 5.800 28.877 -14.706 136 HG SER 24 HG SER 24 6.656 28.915 -12.795 137 H VAL 25 HN VAL 25 2.975 31.192 -15.707 138 HA VAL 25 HA VAL 25 5.044 33.135 -15.504 139 HB VAL 25 HB VAL 25 3.885 33.038 -17.570 140 HG11 VAL 25 HG11 VAL 25 1.304 33.923 -17.221 141 HG12 VAL 25 HG12 VAL 25 1.793 32.253 -17.510 142 HG13 VAL 25 HG13 VAL 25 1.536 32.825 -15.861 143 HG21 VAL 25 HG21 VAL 25 2.660 35.509 -16.433 144 HG22 VAL 25 HG22 VAL 25 4.416 35.340 -16.440 145 HG23 VAL 25 HG23 VAL 25 3.518 35.277 -17.957 146 H ARG 26 HN ARG 26 5.348 34.299 -13.719 147 HA ARG 26 HA ARG 26 3.569 34.764 -11.667 148 HB2 ARG 26 HB1 ARG 26 5.674 36.761 -12.482 149 HB3 ARG 26 HB2 ARG 26 5.074 36.419 -10.865 150 HG2 ARG 26 HG1 ARG 26 6.821 34.671 -12.578 151 HG3 ARG 26 HG2 ARG 26 7.243 35.466 -11.060 152 HD2 ARG 26 HD1 ARG 26 4.993 33.960 -10.449 153 HD3 ARG 26 HD2 ARG 26 5.933 32.924 -11.522 154 HE ARG 26 HE ARG 26 6.547 33.587 -8.828 155 HH11 ARG 26 HH11 ARG 26 7.999 32.927 -11.923 156 HH12 ARG 26 HH12 ARG 26 9.486 32.349 -11.249 157 HH21 ARG 26 HH21 ARG 26 8.501 32.828 -7.928 158 HH22 ARG 26 HH22 ARG 26 9.771 32.292 -8.976 159 H PHE 27 HN PHE 27 1.627 35.670 -11.780 160 HA PHE 27 HA PHE 27 0.669 37.307 -13.803 161 HB2 PHE 27 HB1 PHE 27 -0.263 37.215 -10.926 162 HB3 PHE 27 HB2 PHE 27 -1.188 37.839 -12.288 163 HD1 PHE 27 HD1 PHE 27 -1.068 35.970 -14.354 164 HD2 PHE 27 HD2 PHE 27 -1.067 35.217 -10.165 165 HE1 PHE 27 HE1 PHE 27 -1.987 33.724 -14.761 166 HE2 PHE 27 HE2 PHE 27 -1.984 32.969 -10.565 167 HZ PHE 27 HZ PHE 27 -2.445 32.220 -12.865 168 H SER 28 HN SER 28 0.216 39.543 -13.912 169 HA SER 28 HA SER 28 1.291 41.359 -11.960 170 HB2 SER 28 HB1 SER 28 2.593 41.216 -14.691 171 HB3 SER 28 HB2 SER 28 2.915 42.439 -13.462 172 HG SER 28 HG SER 28 4.204 40.248 -13.723 173 H LEU 29 HN LEU 29 1.420 43.672 -13.321 174 HA LEU 29 HA LEU 29 -1.250 44.386 -13.702 175 HB2 LEU 29 HB1 LEU 29 1.058 45.854 -14.940 176 HB3 LEU 29 HB2 LEU 29 -0.469 46.512 -14.356 177 HG LEU 29 HG LEU 29 0.606 45.444 -12.077 178 HD11 LEU 29 HD11 LEU 29 2.905 46.857 -13.361 179 HD12 LEU 29 HD12 LEU 29 2.709 45.115 -13.553 180 HD13 LEU 29 HD13 LEU 29 2.883 45.810 -11.942 181 HD21 LEU 29 HD21 LEU 29 0.671 48.200 -13.262 182 HD22 LEU 29 HD22 LEU 29 1.286 47.871 -11.641 183 HD23 LEU 29 HD23 LEU 29 -0.406 47.552 -12.025 184 H THR 30 HN THR 30 1.060 43.040 -15.895 185 HA THR 30 HA THR 30 -0.610 43.656 -18.217 186 HB THR 30 HB THR 30 1.211 42.720 -19.566 187 HG1 THR 30 HG1 THR 30 2.790 41.602 -18.674 188 HG21 THR 30 HG21 THR 30 2.709 44.468 -17.705 189 HG22 THR 30 HG22 THR 30 1.206 45.118 -18.360 190 HG23 THR 30 HG23 THR 30 2.490 44.594 -19.450 191 H GLU 31 HN GLU 31 0.136 41.088 -16.046 192 HA GLU 31 HA GLU 31 -1.284 39.181 -17.785 193 HB2 GLU 31 HB1 GLU 31 1.133 38.692 -17.082 194 HB3 GLU 31 HB2 GLU 31 0.486 38.421 -15.471 195 HG2 GLU 31 HG1 GLU 31 0.776 36.339 -16.717 196 HG3 GLU 31 HG2 GLU 31 -0.909 36.629 -16.289 197 H ARG 32 HN ARG 32 -3.349 39.053 -17.203 198 HA ARG 32 HA ARG 32 -4.248 39.645 -14.548 199 HB2 ARG 32 HB1 ARG 32 -5.537 38.843 -17.116 200 HB3 ARG 32 HB2 ARG 32 -6.444 38.622 -15.626 201 HG2 ARG 32 HG1 ARG 32 -5.806 41.098 -15.176 202 HG3 ARG 32 HG2 ARG 32 -5.510 41.145 -16.915 203 HD2 ARG 32 HD1 ARG 32 -7.720 40.830 -17.437 204 HD3 ARG 32 HD2 ARG 32 -8.062 39.967 -15.938 205 HE ARG 32 HE ARG 32 -8.214 42.803 -16.381 206 HH11 ARG 32 HH11 ARG 32 -7.801 40.294 -14.003 207 HH12 ARG 32 HH12 ARG 32 -8.368 41.268 -12.687 208 HH21 ARG 32 HH21 ARG 32 -8.961 44.095 -14.657 209 HH22 ARG 32 HH22 ARG 32 -9.028 43.430 -13.060 210 H ARG 33 HN ARG 33 -5.368 38.208 -13.135 211 HA ARG 33 HA ARG 33 -4.604 35.382 -13.480 212 HB2 ARG 33 HB1 ARG 33 -4.271 35.200 -11.105 213 HB3 ARG 33 HB2 ARG 33 -3.331 36.566 -11.692 214 HG2 ARG 33 HG1 ARG 33 -4.636 38.106 -10.624 215 HG3 ARG 33 HG2 ARG 33 -6.069 37.075 -10.656 216 HD2 ARG 33 HD1 ARG 33 -5.245 35.730 -8.882 217 HD3 ARG 33 HD2 ARG 33 -3.643 36.461 -8.985 218 HE ARG 33 HE ARG 33 -5.636 38.403 -8.398 219 HH11 ARG 33 HH11 ARG 33 -3.735 35.853 -6.982 220 HH12 ARG 33 HH12 ARG 33 -3.785 36.525 -5.386 221 HH21 ARG 33 HH21 ARG 33 -5.710 39.297 -6.301 222 HH22 ARG 33 HH22 ARG 33 -4.910 38.484 -5.000 223 H HIS 34 HN HIS 34 -6.023 33.811 -12.499 224 HA HIS 34 HA HIS 34 -8.585 34.569 -11.491 225 HB2 HIS 34 HB1 HIS 34 -9.678 33.227 -13.518 226 HB3 HIS 34 HB2 HIS 34 -9.435 34.970 -13.578 227 HD1 HIS 34 HD1 HIS 34 -7.909 31.759 -14.845 228 HD2 HIS 34 HD2 HIS 34 -7.744 35.849 -15.558 229 HE1 HIS 34 HE1 HIS 34 -6.554 32.021 -16.947 230 H HIS 35 HN HIS 35 -9.169 33.024 -10.121 231 HA HIS 35 HA HIS 35 -7.849 30.438 -10.240 232 HB2 HIS 35 HB1 HIS 35 -8.835 32.103 -8.169 233 HB3 HIS 35 HB2 HIS 35 -9.761 30.606 -8.111 234 HD1 HIS 35 HD1 HIS 35 -7.139 31.892 -6.379 235 HD2 HIS 35 HD2 HIS 35 -7.483 28.405 -8.611 236 HE1 HIS 35 HE1 HIS 35 -5.344 30.359 -5.512 237 H CYS 36 HN CYS 36 -8.715 28.870 -11.415 238 HA CYS 36 HA CYS 36 -11.284 28.846 -12.488 239 HB2 CYS 36 HB1 CYS 36 -9.343 27.475 -13.280 240 HB3 CYS 36 HB2 CYS 36 -9.586 26.416 -11.894 241 H ARG 37 HN ARG 37 -13.205 28.537 -11.596 242 HA ARG 37 HA ARG 37 -13.444 27.642 -8.874 243 HB2 ARG 37 HB1 ARG 37 -15.761 28.062 -10.740 244 HB3 ARG 37 HB2 ARG 37 -15.692 28.300 -8.999 245 HG2 ARG 37 HG1 ARG 37 -14.319 30.008 -11.064 246 HG3 ARG 37 HG2 ARG 37 -15.796 30.420 -10.191 247 HD2 ARG 37 HD1 ARG 37 -13.668 29.649 -8.388 248 HD3 ARG 37 HD2 ARG 37 -13.184 30.990 -9.425 249 HE ARG 37 HE ARG 37 -15.096 31.060 -7.296 250 HH11 ARG 37 HH11 ARG 37 -14.181 32.501 -10.330 251 HH12 ARG 37 HH12 ARG 37 -14.945 34.018 -9.989 252 HH21 ARG 37 HH21 ARG 37 -16.106 33.053 -6.835 253 HH22 ARG 37 HH22 ARG 37 -16.039 34.331 -8.000 254 H ASN 38 HN ASN 38 -12.920 25.958 -11.579 255 HA ASN 38 HA ASN 38 -14.789 23.786 -10.947 256 HB2 ASN 38 HB1 ASN 38 -14.218 24.811 -13.360 257 HB3 ASN 38 HB2 ASN 38 -12.957 23.583 -13.279 258 HD21 ASN 38 HD21 ASN 38 -15.532 20.971 -12.860 259 HD22 ASN 38 HD22 ASN 38 -14.221 21.581 -11.915 260 H CYS 39 HN CYS 39 -11.343 24.470 -11.374 261 HA CYS 39 HA CYS 39 -10.722 21.863 -10.160 262 HB2 CYS 39 HB1 CYS 39 -8.749 23.645 -11.579 263 HB3 CYS 39 HB2 CYS 39 -8.611 21.925 -11.230 264 H GLY 40 HN GLY 40 -10.118 25.327 -9.957 265 HA2 GLY 40 HA2 GLY 40 -9.821 26.459 -7.894 266 HA3 GLY 40 HA1 GLY 40 -9.281 24.950 -7.174 267 H GLN 41 HN GLN 41 -8.035 25.995 -10.248 268 HA GLN 41 HA GLN 41 -5.461 26.583 -8.942 269 HB2 GLN 41 HB1 GLN 41 -5.868 25.569 -11.757 270 HB3 GLN 41 HB2 GLN 41 -4.341 25.742 -10.903 271 HG2 GLN 41 HG1 GLN 41 -5.979 24.091 -9.316 272 HG3 GLN 41 HG2 GLN 41 -6.122 23.519 -10.977 273 HE21 GLN 41 HE21 GLN 41 -2.473 23.420 -9.121 274 HE22 GLN 41 HE22 GLN 41 -3.656 24.593 -8.666 275 H LEU 42 HN LEU 42 -4.179 28.272 -9.778 276 HA LEU 42 HA LEU 42 -5.744 30.406 -10.989 277 HB2 LEU 42 HB1 LEU 42 -3.404 30.213 -9.271 278 HB3 LEU 42 HB2 LEU 42 -3.194 31.379 -10.575 279 HG LEU 42 HG LEU 42 -5.547 31.431 -8.698 280 HD11 LEU 42 HD11 LEU 42 -4.440 32.837 -7.247 281 HD12 LEU 42 HD12 LEU 42 -3.206 33.264 -8.431 282 HD13 LEU 42 HD13 LEU 42 -3.174 31.679 -7.658 283 HD21 LEU 42 HD21 LEU 42 -4.845 33.971 -9.674 284 HD22 LEU 42 HD22 LEU 42 -6.265 33.007 -10.085 285 HD23 LEU 42 HD23 LEU 42 -4.798 32.876 -11.056 286 H PHE 43 HN PHE 43 -5.633 30.936 -13.065 287 HA PHE 43 HA PHE 43 -3.273 30.090 -14.610 288 HB2 PHE 43 HB1 PHE 43 -6.163 30.022 -15.503 289 HB3 PHE 43 HB2 PHE 43 -4.779 29.687 -16.539 290 HD1 PHE 43 HD1 PHE 43 -7.173 28.314 -14.313 291 HD2 PHE 43 HD2 PHE 43 -3.234 27.759 -15.828 292 HE1 PHE 43 HE1 PHE 43 -7.250 25.949 -13.638 293 HE2 PHE 43 HE2 PHE 43 -3.305 25.394 -15.156 294 HZ PHE 43 HZ PHE 43 -5.314 24.485 -14.060 295 H CYS 44 HN CYS 44 -3.148 31.299 -16.753 296 HA CYS 44 HA CYS 44 -3.569 34.142 -16.193 297 HB2 CYS 44 HB1 CYS 44 -1.911 34.543 -17.956 298 HB3 CYS 44 HB2 CYS 44 -1.281 33.445 -16.732 299 H GLN 45 HN GLN 45 -4.197 35.558 -17.998 300 HA GLN 45 HA GLN 45 -6.625 34.811 -19.134 301 HB2 GLN 45 HB1 GLN 45 -6.591 36.881 -20.286 302 HB3 GLN 45 HB2 GLN 45 -5.739 37.157 -18.773 303 HG2 GLN 45 HG1 GLN 45 -3.604 36.970 -19.925 304 HG3 GLN 45 HG2 GLN 45 -4.443 36.658 -21.443 305 HE21 GLN 45 HE21 GLN 45 -3.447 40.281 -20.985 306 HE22 GLN 45 HE22 GLN 45 -2.597 38.806 -20.692 307 H LYS 46 HN LYS 46 -3.420 34.178 -20.177 308 HA LYS 46 HA LYS 46 -4.185 33.637 -22.927 309 HB2 LYS 46 HB1 LYS 46 -1.734 34.152 -21.523 310 HB3 LYS 46 HB2 LYS 46 -1.591 32.637 -22.405 311 HG2 LYS 46 HG1 LYS 46 -0.813 34.529 -23.729 312 HG3 LYS 46 HG2 LYS 46 -2.216 33.754 -24.469 313 HD2 LYS 46 HD1 LYS 46 -3.109 35.804 -22.690 314 HD3 LYS 46 HD2 LYS 46 -1.884 36.473 -23.772 315 HE2 LYS 46 HE1 LYS 46 -3.934 34.741 -25.010 316 HE3 LYS 46 HE2 LYS 46 -4.490 36.300 -24.403 317 HZ1 LYS 46 HZ1 LYS 46 -3.863 36.662 -26.617 318 HZ2 LYS 46 HZ2 LYS 46 -2.432 35.773 -26.464 319 HZ3 LYS 46 HZ3 LYS 46 -2.578 37.278 -25.704 320 H CYS 47 HN CYS 47 -4.044 31.982 -19.960 321 HA CYS 47 HA CYS 47 -3.661 29.355 -21.117 322 HB2 CYS 47 HB1 CYS 47 -3.473 30.497 -18.512 323 HB3 CYS 47 HB2 CYS 47 -4.660 29.198 -18.450 324 H SER 48 HN SER 48 -6.290 31.101 -19.474 325 HA SER 48 HA SER 48 -8.186 29.045 -20.308 326 HB2 SER 48 HB1 SER 48 -8.854 29.550 -18.195 327 HB3 SER 48 HB2 SER 48 -8.129 31.157 -18.241 328 HG SER 48 HG SER 48 -10.575 30.373 -19.453 329 H ARG 49 HN ARG 49 -7.570 32.504 -20.727 330 HA ARG 49 HA ARG 49 -8.621 34.061 -22.068 331 HB2 ARG 49 HB1 ARG 49 -8.460 33.354 -24.501 332 HB3 ARG 49 HB2 ARG 49 -6.969 33.282 -23.572 333 HG2 ARG 49 HG1 ARG 49 -7.373 30.844 -23.248 334 HG3 ARG 49 HG2 ARG 49 -8.738 30.981 -24.357 335 HD2 ARG 49 HD1 ARG 49 -6.379 32.198 -25.478 336 HD3 ARG 49 HD2 ARG 49 -6.057 30.530 -25.007 337 HE ARG 49 HE ARG 49 -8.477 30.585 -26.397 338 HH11 ARG 49 HH11 ARG 49 -5.089 31.138 -26.975 339 HH12 ARG 49 HH12 ARG 49 -5.163 30.668 -28.641 340 HH21 ARG 49 HH21 ARG 49 -8.587 29.964 -28.589 341 HH22 ARG 49 HH22 ARG 49 -7.154 30.002 -29.559 342 H PHE 50 HN PHE 50 -10.467 32.134 -20.786 343 HA PHE 50 HA PHE 50 -12.740 32.601 -22.565 344 HB2 PHE 50 HB1 PHE 50 -12.048 29.930 -21.330 345 HB3 PHE 50 HB2 PHE 50 -13.617 30.308 -22.033 346 HD1 PHE 50 HD1 PHE 50 -12.976 31.751 -24.444 347 HD2 PHE 50 HD2 PHE 50 -11.012 28.402 -22.700 348 HE1 PHE 50 HE1 PHE 50 -12.142 31.090 -26.662 349 HE2 PHE 50 HE2 PHE 50 -10.174 27.736 -24.915 350 HZ PHE 50 HZ PHE 50 -10.738 29.080 -26.900 351 H GLN 51 HN GLN 51 -14.845 32.010 -21.341 352 HA GLN 51 HA GLN 51 -14.749 32.214 -18.478 353 HB2 GLN 51 HB1 GLN 51 -15.037 34.613 -20.115 354 HB3 GLN 51 HB2 GLN 51 -16.371 34.397 -18.990 355 HG2 GLN 51 HG1 GLN 51 -14.917 34.407 -17.123 356 HG3 GLN 51 HG2 GLN 51 -13.490 34.284 -18.150 357 HE21 GLN 51 HE21 GLN 51 -13.258 37.693 -18.807 358 HE22 GLN 51 HE22 GLN 51 -12.718 36.097 -19.188 359 H SER 52 HN SER 52 -16.467 31.207 -17.657 360 HA SER 52 HA SER 52 -19.096 31.417 -18.665 361 HB2 SER 52 HB1 SER 52 -17.480 29.544 -20.044 362 HB3 SER 52 HB2 SER 52 -18.587 28.615 -19.034 363 HG SER 52 HG SER 52 -19.613 30.762 -20.501 364 H GLU 53 HN GLU 53 -20.548 29.680 -17.631 365 HA GLU 53 HA GLU 53 -19.867 29.577 -14.831 366 HB2 GLU 53 HB1 GLU 53 -22.154 28.532 -14.626 367 HB3 GLU 53 HB2 GLU 53 -22.122 30.146 -15.322 368 HG2 GLU 53 HG1 GLU 53 -21.902 28.348 -17.470 369 HG3 GLU 53 HG2 GLU 53 -23.169 27.725 -16.415 370 H ILE 54 HN ILE 54 -20.586 27.440 -13.669 371 HA ILE 54 HA ILE 54 -19.522 25.122 -15.130 372 HB ILE 54 HB ILE 54 -18.772 25.892 -12.307 373 HG12 ILE 54 HG11 ILE 54 -16.792 25.484 -14.503 374 HG13 ILE 54 HG12 ILE 54 -17.705 26.989 -14.478 375 HG21 ILE 54 HG21 ILE 54 -18.057 23.472 -13.955 376 HG22 ILE 54 HG22 ILE 54 -17.283 23.910 -12.433 377 HG23 ILE 54 HG23 ILE 54 -18.999 23.505 -12.465 378 HD11 ILE 54 HD11 ILE 54 -15.649 25.982 -12.592 379 HD12 ILE 54 HD12 ILE 54 -15.879 27.596 -13.266 380 HD13 ILE 54 HD13 ILE 54 -16.927 27.024 -11.968 381 H LYS 55 HN LYS 55 -21.693 24.427 -15.367 382 HA LYS 55 HA LYS 55 -23.498 24.095 -13.231 383 HB2 LYS 55 HB1 LYS 55 -23.279 23.023 -16.008 384 HB3 LYS 55 HB2 LYS 55 -24.412 22.253 -14.904 385 HG2 LYS 55 HG1 LYS 55 -24.422 25.218 -15.338 386 HG3 LYS 55 HG2 LYS 55 -25.284 24.118 -16.415 387 HD2 LYS 55 HD1 LYS 55 -26.882 23.667 -14.885 388 HD3 LYS 55 HD2 LYS 55 -25.743 23.692 -13.537 389 HE2 LYS 55 HE1 LYS 55 -26.072 25.890 -13.130 390 HE3 LYS 55 HE2 LYS 55 -26.239 26.288 -14.839 391 HZ1 LYS 55 HZ1 LYS 55 -28.469 24.945 -14.506 392 HZ2 LYS 55 HZ2 LYS 55 -28.368 26.601 -14.177 393 HZ3 LYS 55 HZ3 LYS 55 -28.278 25.480 -12.913 394 H ARG 56 HN ARG 56 -20.852 22.157 -14.389 395 HA ARG 56 HA ARG 56 -21.537 19.684 -13.264 396 HB2 ARG 56 HB1 ARG 56 -19.739 19.780 -14.833 397 HB3 ARG 56 HB2 ARG 56 -18.861 20.946 -13.852 398 HG2 ARG 56 HG1 ARG 56 -18.511 19.244 -12.135 399 HG3 ARG 56 HG2 ARG 56 -19.396 18.074 -13.118 400 HD2 ARG 56 HD1 ARG 56 -17.663 17.754 -14.524 401 HD3 ARG 56 HD2 ARG 56 -17.191 19.452 -14.490 402 HE ARG 56 HE ARG 56 -15.717 18.977 -12.799 403 HH11 ARG 56 HH11 ARG 56 -17.916 16.307 -13.197 404 HH12 ARG 56 HH12 ARG 56 -17.046 15.261 -12.125 405 HH21 ARG 56 HH21 ARG 56 -14.563 17.609 -11.385 406 HH22 ARG 56 HH22 ARG 56 -15.139 16.003 -11.094 407 H LEU 57 HN LEU 57 -20.582 22.618 -11.793 408 HA LEU 57 HA LEU 57 -20.142 21.221 -9.236 409 HB2 LEU 57 HB1 LEU 57 -18.524 23.112 -10.569 410 HB3 LEU 57 HB2 LEU 57 -19.205 23.920 -9.159 411 HG LEU 57 HG LEU 57 -18.236 22.273 -7.689 412 HD11 LEU 57 HD11 LEU 57 -17.549 20.879 -10.248 413 HD12 LEU 57 HD12 LEU 57 -18.344 20.241 -8.809 414 HD13 LEU 57 HD13 LEU 57 -16.617 20.596 -8.778 415 HD21 LEU 57 HD21 LEU 57 -16.590 23.799 -7.836 416 HD22 LEU 57 HD22 LEU 57 -16.593 23.787 -9.600 417 HD23 LEU 57 HD23 LEU 57 -15.744 22.522 -8.710 418 H LYS 58 HN LYS 58 -22.598 22.369 -10.659 419 HA LYS 58 HA LYS 58 -24.583 23.243 -9.958 420 HB2 LYS 58 HB1 LYS 58 -23.374 23.824 -7.266 421 HB3 LYS 58 HB2 LYS 58 -25.051 23.470 -7.662 422 HG2 LYS 58 HG1 LYS 58 -23.738 21.201 -8.479 423 HG3 LYS 58 HG2 LYS 58 -22.861 21.669 -7.021 424 HD2 LYS 58 HD1 LYS 58 -25.291 21.982 -6.059 425 HD3 LYS 58 HD2 LYS 58 -25.711 20.857 -7.353 426 HE2 LYS 58 HE1 LYS 58 -25.184 19.261 -5.873 427 HE3 LYS 58 HE2 LYS 58 -23.512 19.666 -6.258 428 HZ1 LYS 58 HZ1 LYS 58 -23.250 20.830 -4.322 429 HZ2 LYS 58 HZ2 LYS 58 -24.327 19.634 -3.803 430 HZ3 LYS 58 HZ3 LYS 58 -24.897 21.186 -4.162 431 H ILE 59 HN ILE 59 -22.281 24.834 -10.992 432 HA ILE 59 HA ILE 59 -22.965 27.473 -9.888 433 HB ILE 59 HB ILE 59 -20.618 26.772 -11.652 434 HG12 ILE 59 HG11 ILE 59 -20.720 27.160 -8.652 435 HG13 ILE 59 HG12 ILE 59 -20.472 25.626 -9.478 436 HG21 ILE 59 HG21 ILE 59 -20.992 29.209 -9.932 437 HG22 ILE 59 HG22 ILE 59 -19.800 28.938 -11.202 438 HG23 ILE 59 HG23 ILE 59 -21.500 29.146 -11.620 439 HD11 ILE 59 HD11 ILE 59 -18.572 27.674 -8.789 440 HD12 ILE 59 HD12 ILE 59 -18.300 26.017 -9.329 441 HD13 ILE 59 HD13 ILE 59 -18.520 27.306 -10.512 442 H SER 60 HN SER 60 -24.548 28.419 -10.995 443 HA SER 60 HA SER 60 -24.853 27.920 -13.848 444 HB2 SER 60 HB1 SER 60 -27.042 28.377 -13.539 445 HB3 SER 60 HB2 SER 60 -26.679 28.277 -11.816 446 HG SER 60 HG SER 60 -27.406 30.421 -13.289 447 H SER 61 HN SER 61 -23.689 30.354 -11.696 448 HA SER 61 HA SER 61 -23.859 32.520 -13.580 449 HB2 SER 61 HB1 SER 61 -21.987 33.247 -11.652 450 HB3 SER 61 HB2 SER 61 -23.712 33.611 -11.620 451 HG SER 61 HG SER 61 -23.988 32.168 -10.104 452 HA PRO 62 HA PRO 62 -20.164 31.753 -15.841 453 HB2 PRO 62 HB1 PRO 62 -19.613 34.283 -16.657 454 HB3 PRO 62 HB2 PRO 62 -20.930 33.320 -17.336 455 HG2 PRO 62 HG1 PRO 62 -21.031 35.459 -15.244 456 HG3 PRO 62 HG2 PRO 62 -22.120 35.184 -16.616 457 HD2 PRO 62 HD1 PRO 62 -22.736 34.422 -14.092 458 HD3 PRO 62 HD2 PRO 62 -23.284 33.523 -15.521 459 H VAL 63 HN VAL 63 -18.219 31.332 -15.024 460 HA VAL 63 HA VAL 63 -16.832 33.420 -13.494 461 HB VAL 63 HB VAL 63 -16.035 31.835 -11.853 462 HG11 VAL 63 HG11 VAL 63 -18.782 31.037 -11.541 463 HG12 VAL 63 HG12 VAL 63 -17.843 32.208 -10.614 464 HG13 VAL 63 HG13 VAL 63 -18.680 32.712 -12.082 465 HG21 VAL 63 HG21 VAL 63 -15.828 29.792 -12.940 466 HG22 VAL 63 HG22 VAL 63 -17.190 29.522 -11.853 467 HG23 VAL 63 HG23 VAL 63 -17.477 29.843 -13.563 468 H ARG 64 HN ARG 64 -14.465 32.497 -13.035 469 HA ARG 64 HA ARG 64 -13.254 32.249 -15.598 470 HB2 ARG 64 HB1 ARG 64 -11.837 31.726 -12.998 471 HB3 ARG 64 HB2 ARG 64 -11.190 32.411 -14.483 472 HG2 ARG 64 HG1 ARG 64 -13.113 33.744 -12.588 473 HG3 ARG 64 HG2 ARG 64 -11.401 34.121 -12.794 474 HD2 ARG 64 HD1 ARG 64 -11.820 34.796 -15.101 475 HD3 ARG 64 HD2 ARG 64 -13.526 34.389 -14.918 476 HE ARG 64 HE ARG 64 -13.151 36.181 -12.952 477 HH11 ARG 64 HH11 ARG 64 -12.331 36.210 -16.335 478 HH12 ARG 64 HH12 ARG 64 -12.475 37.929 -16.489 479 HH21 ARG 64 HH21 ARG 64 -13.344 38.445 -13.142 480 HH22 ARG 64 HH22 ARG 64 -13.050 39.200 -14.672 481 H VAL 65 HN VAL 65 -12.504 30.502 -16.658 482 HA VAL 65 HA VAL 65 -12.256 27.947 -15.276 483 HB VAL 65 HB VAL 65 -13.589 26.749 -16.955 484 HG11 VAL 65 HG11 VAL 65 -14.510 27.836 -14.760 485 HG12 VAL 65 HG12 VAL 65 -15.422 28.844 -15.885 486 HG13 VAL 65 HG13 VAL 65 -15.612 27.091 -15.918 487 HG21 VAL 65 HG21 VAL 65 -15.060 27.976 -18.475 488 HG22 VAL 65 HG22 VAL 65 -14.363 29.500 -17.926 489 HG23 VAL 65 HG23 VAL 65 -13.363 28.337 -18.797 490 H CYS 66 HN CYS 66 -10.677 26.676 -16.098 491 HA CYS 66 HA CYS 66 -8.833 27.787 -17.937 492 HB2 CYS 66 HB1 CYS 66 -7.695 25.579 -17.768 493 HB3 CYS 66 HB2 CYS 66 -8.061 26.292 -16.201 494 H GLN 67 HN GLN 67 -8.169 26.923 -19.985 495 HA GLN 67 HA GLN 67 -10.190 26.618 -21.839 496 HB2 GLN 67 HB1 GLN 67 -8.069 27.233 -22.658 497 HB3 GLN 67 HB2 GLN 67 -7.283 25.853 -21.903 498 HG2 GLN 67 HG1 GLN 67 -8.367 24.351 -23.474 499 HG3 GLN 67 HG2 GLN 67 -9.207 25.713 -24.213 500 HE21 GLN 67 HE21 GLN 67 -5.198 25.199 -24.859 501 HE22 GLN 67 HE22 GLN 67 -5.946 24.571 -23.435 502 H ASN 68 HN ASN 68 -8.458 24.152 -20.023 503 HA ASN 68 HA ASN 68 -9.414 21.910 -21.441 504 HB2 ASN 68 HB1 ASN 68 -7.690 22.354 -19.291 505 HB3 ASN 68 HB2 ASN 68 -8.992 21.377 -18.617 506 HD21 ASN 68 HD21 ASN 68 -6.299 19.799 -21.186 507 HD22 ASN 68 HD22 ASN 68 -6.323 21.482 -20.797 508 H CYS 69 HN CYS 69 -10.799 23.890 -18.933 509 HA CYS 69 HA CYS 69 -12.956 22.021 -18.409 510 HB2 CYS 69 HB1 CYS 69 -12.044 24.612 -17.257 511 HB3 CYS 69 HB2 CYS 69 -13.747 24.199 -17.084 512 H TYR 70 HN TYR 70 -12.638 25.320 -19.713 513 HA TYR 70 HA TYR 70 -15.264 25.809 -20.377 514 HB2 TYR 70 HB1 TYR 70 -13.424 27.455 -20.583 515 HB3 TYR 70 HB2 TYR 70 -12.841 26.600 -22.007 516 HD1 TYR 70 HD1 TYR 70 -13.919 26.855 -24.134 517 HD2 TYR 70 HD2 TYR 70 -15.553 28.697 -20.664 518 HE1 TYR 70 HE1 TYR 70 -15.403 28.204 -25.557 519 HE2 TYR 70 HE2 TYR 70 -17.043 30.051 -22.077 520 HH TYR 70 HH TYR 70 -16.709 30.151 -25.531 521 H TYR 71 HN TYR 71 -12.798 24.236 -22.403 522 HA TYR 71 HA TYR 71 -14.283 23.790 -24.680 523 HB2 TYR 71 HB1 TYR 71 -11.870 22.695 -23.496 524 HB3 TYR 71 HB2 TYR 71 -12.765 21.465 -24.381 525 HD1 TYR 71 HD1 TYR 71 -13.634 22.292 -26.769 526 HD2 TYR 71 HD2 TYR 71 -10.320 23.935 -24.667 527 HE1 TYR 71 HE1 TYR 71 -12.722 23.146 -28.887 528 HE2 TYR 71 HE2 TYR 71 -9.399 24.795 -26.779 529 HH TYR 71 HH TYR 71 -11.139 25.072 -29.566 530 H ASN 72 HN ASN 72 -14.309 22.014 -21.648 531 HA ASN 72 HA ASN 72 -16.082 19.972 -22.682 532 HB2 ASN 72 HB1 ASN 72 -14.864 20.514 -19.981 533 HB3 ASN 72 HB2 ASN 72 -16.104 19.283 -20.202 534 HD21 ASN 72 HD21 ASN 72 -13.993 16.948 -21.662 535 HD22 ASN 72 HD22 ASN 72 -15.604 17.393 -21.224 536 H LEU 73 HN LEU 73 -16.311 22.988 -21.000 537 HA LEU 73 HA LEU 73 -18.929 22.591 -19.930 538 HB2 LEU 73 HB1 LEU 73 -17.234 25.028 -20.397 539 HB3 LEU 73 HB2 LEU 73 -18.865 25.127 -19.738 540 HG LEU 73 HG LEU 73 -16.650 23.543 -18.448 541 HD11 LEU 73 HD11 LEU 73 -15.919 25.813 -18.452 542 HD12 LEU 73 HD12 LEU 73 -16.546 25.453 -16.843 543 HD13 LEU 73 HD13 LEU 73 -17.518 26.388 -17.980 544 HD21 LEU 73 HD21 LEU 73 -19.066 23.003 -17.950 545 HD22 LEU 73 HD22 LEU 73 -19.192 24.616 -17.248 546 HD23 LEU 73 HD23 LEU 73 -18.071 23.440 -16.561 547 H GLN 74 HN GLN 74 -17.643 23.688 -22.971 548 HA GLN 74 HA GLN 74 -20.168 24.773 -23.876 549 HB2 GLN 74 HB1 GLN 74 -17.604 24.264 -25.395 550 HB3 GLN 74 HB2 GLN 74 -18.990 25.163 -25.997 551 HG2 GLN 74 HG1 GLN 74 -17.087 25.921 -23.807 552 HG3 GLN 74 HG2 GLN 74 -17.422 26.770 -25.315 553 HE21 GLN 74 HE21 GLN 74 -20.358 28.330 -24.155 554 HE22 GLN 74 HE22 GLN 74 -19.519 27.759 -25.553 555 H HIS 75 HN HIS 75 -18.450 21.771 -24.013 556 HA HIS 75 HA HIS 75 -19.681 20.625 -26.268 557 HB2 HIS 75 HB1 HIS 75 -17.780 19.829 -24.403 558 HB3 HIS 75 HB2 HIS 75 -19.111 18.703 -24.156 559 HD1 HIS 75 HD1 HIS 75 -17.761 20.145 -27.407 560 HD2 HIS 75 HD2 HIS 75 -18.339 16.492 -25.515 561 HE1 HIS 75 HE1 HIS 75 -17.107 18.402 -29.097 562 H GLU 76 HN GLU 76 -20.799 21.168 -23.039 563 HA GLU 76 HA GLU 76 -22.946 19.255 -23.164 564 HB2 GLU 76 HB1 GLU 76 -23.572 20.032 -21.014 565 HB3 GLU 76 HB2 GLU 76 -21.814 20.048 -21.042 566 HG2 GLU 76 HG1 GLU 76 -21.974 22.120 -20.263 567 HG3 GLU 76 HG2 GLU 76 -22.447 22.572 -21.899 568 H ARG 77 HN ARG 77 -22.451 22.535 -24.105 569 HA ARG 77 HA ARG 77 -25.301 23.098 -24.296 570 HB2 ARG 77 HB1 ARG 77 -22.931 24.666 -24.054 571 HB3 ARG 77 HB2 ARG 77 -23.738 25.121 -25.549 572 HG2 ARG 77 HG1 ARG 77 -25.841 25.408 -24.214 573 HG3 ARG 77 HG2 ARG 77 -24.861 25.191 -22.763 574 HD2 ARG 77 HD1 ARG 77 -23.707 27.175 -23.091 575 HD3 ARG 77 HD2 ARG 77 -24.079 27.221 -24.813 576 HE ARG 77 HE ARG 77 -25.651 28.301 -22.686 577 HH11 ARG 77 HH11 ARG 77 -25.801 26.911 -25.874 578 HH12 ARG 77 HH12 ARG 77 -27.291 27.693 -26.287 579 HH21 ARG 77 HH21 ARG 77 -27.613 29.336 -23.218 580 HH22 ARG 77 HH22 ARG 77 -28.320 29.073 -24.776 581 H GLY 78 HN GLY 78 -22.564 22.340 -26.353 582 HA2 GLY 78 HA2 GLY 78 -24.423 21.883 -28.566 583 HA3 GLY 78 HA1 GLY 78 -23.096 23.001 -28.843 Start of MODEL 17 1 H1 SER 1 HN SER 1 -13.378 23.085 17.229 2 HA SER 1 HA SER 1 -16.031 23.432 18.223 3 HB2 SER 1 HB1 SER 1 -14.549 26.022 18.183 4 HB3 SER 1 HB2 SER 1 -15.976 25.559 19.109 5 HG SER 1 HG SER 1 -13.370 25.450 19.813 6 H ASN 2 HN ASN 2 -13.596 25.241 16.341 7 HA ASN 2 HA ASN 2 -15.172 24.842 13.930 8 HB2 ASN 2 HB1 ASN 2 -14.638 27.546 15.149 9 HB3 ASN 2 HB2 ASN 2 -14.951 27.350 13.427 10 HD21 ASN 2 HD21 ASN 2 -17.986 27.693 15.896 11 HD22 ASN 2 HD22 ASN 2 -16.356 28.174 16.208 12 H ALA 3 HN ALA 3 -12.638 27.193 14.740 13 HA ALA 3 HA ALA 3 -10.481 27.421 14.039 14 HB1 ALA 3 HB1 ALA 3 -9.814 24.993 12.812 15 HB2 ALA 3 HB2 ALA 3 -9.418 25.516 14.449 16 HB3 ALA 3 HB3 ALA 3 -10.883 24.581 14.153 17 H GLY 4 HN GLY 4 -11.521 25.050 11.607 18 HA2 GLY 4 HA2 GLY 4 -12.081 26.996 9.600 19 HA3 GLY 4 HA1 GLY 4 -10.461 26.341 9.409 20 H ARG 5 HN ARG 5 -10.243 24.542 8.249 21 HA ARG 5 HA ARG 5 -12.597 22.812 7.898 22 HB2 ARG 5 HB1 ARG 5 -11.390 24.419 5.917 23 HB3 ARG 5 HB2 ARG 5 -10.919 22.762 5.564 24 HG2 ARG 5 HG1 ARG 5 -13.774 23.303 6.170 25 HG3 ARG 5 HG2 ARG 5 -13.136 23.812 4.605 26 HD2 ARG 5 HD1 ARG 5 -12.277 21.487 4.291 27 HD3 ARG 5 HD2 ARG 5 -13.128 21.031 5.766 28 HE ARG 5 HE ARG 5 -14.864 22.294 3.896 29 HH11 ARG 5 HH11 ARG 5 -13.279 19.286 4.641 30 HH12 ARG 5 HH12 ARG 5 -14.464 18.312 3.836 31 HH21 ARG 5 HH21 ARG 5 -16.431 21.023 2.833 32 HH22 ARG 5 HH22 ARG 5 -16.256 19.301 2.807 33 H SER 6 HN SER 6 -12.219 20.628 7.811 34 HA SER 6 HA SER 6 -9.503 19.794 8.547 35 HB2 SER 6 HB1 SER 6 -12.172 18.976 9.363 36 HB3 SER 6 HB2 SER 6 -11.191 17.597 8.865 37 HG SER 6 HG SER 6 -10.699 17.884 10.969 38 H ALA 7 HN ALA 7 -12.231 18.724 6.521 39 HA ALA 7 HA ALA 7 -12.319 17.449 4.633 40 HB1 ALA 7 HB1 ALA 7 -10.676 19.546 4.134 41 HB2 ALA 7 HB2 ALA 7 -9.630 18.189 3.715 42 HB3 ALA 7 HB3 ALA 7 -11.194 18.374 2.922 43 H ALA 8 HN ALA 8 -10.548 16.045 3.145 44 HA ALA 8 HA ALA 8 -10.043 13.772 4.768 45 HB1 ALA 8 HB1 ALA 8 -10.647 13.573 2.414 46 HB2 ALA 8 HB2 ALA 8 -9.133 14.353 1.952 47 HB3 ALA 8 HB3 ALA 8 -9.107 12.777 2.743 48 H ASP 9 HN ASP 9 -8.225 16.568 4.076 49 HA ASP 9 HA ASP 9 -6.000 15.570 5.625 50 HB2 ASP 9 HB1 ASP 9 -5.860 15.863 2.696 51 HB3 ASP 9 HB2 ASP 9 -4.548 16.638 3.579 52 H HIS 10 HN HIS 10 -6.328 18.210 3.261 53 HA HIS 10 HA HIS 10 -6.063 20.463 3.467 54 HB2 HIS 10 HB1 HIS 10 -8.165 19.795 4.995 55 HB3 HIS 10 HB2 HIS 10 -7.120 20.466 6.244 56 HD1 HIS 10 HD1 HIS 10 -7.500 22.869 6.621 57 HD2 HIS 10 HD2 HIS 10 -8.325 21.784 2.696 58 HE1 HIS 10 HE1 HIS 10 -8.296 24.972 5.495 59 H TRP 11 HN TRP 11 -3.785 19.011 4.099 60 HA TRP 11 HA TRP 11 -2.665 20.376 6.445 61 HB2 TRP 11 HB1 TRP 11 -2.516 17.759 5.823 62 HB3 TRP 11 HB2 TRP 11 -1.065 18.335 5.008 63 HD1 TRP 11 HD1 TRP 11 0.518 20.001 6.782 64 HE1 TRP 11 HE1 TRP 11 1.209 19.396 9.187 65 HE3 TRP 11 HE3 TRP 11 -3.044 16.473 7.786 66 HZ2 TRP 11 HZ2 TRP 11 0.357 17.652 11.237 67 HZ3 TRP 11 HZ3 TRP 11 -3.035 15.384 9.992 68 HH2 TRP 11 HH2 TRP 11 -1.369 15.962 11.681 69 H VAL 12 HN VAL 12 -3.139 21.651 3.831 70 HA VAL 12 HA VAL 12 -0.733 23.097 3.619 71 HB VAL 12 HB VAL 12 -0.098 20.913 2.467 72 HG11 VAL 12 HG11 VAL 12 -2.258 20.639 1.284 73 HG12 VAL 12 HG12 VAL 12 -1.843 22.026 0.275 74 HG13 VAL 12 HG13 VAL 12 -0.861 20.562 0.211 75 HG21 VAL 12 HG21 VAL 12 1.238 22.029 0.845 76 HG22 VAL 12 HG22 VAL 12 0.102 23.373 0.741 77 HG23 VAL 12 HG23 VAL 12 1.052 23.133 2.207 78 H LYS 13 HN LYS 13 -0.807 24.736 1.913 79 HA LYS 13 HA LYS 13 -3.271 25.070 0.446 80 HB2 LYS 13 HB1 LYS 13 -2.933 26.292 3.030 81 HB3 LYS 13 HB2 LYS 13 -3.019 27.537 1.791 82 HG2 LYS 13 HG1 LYS 13 -5.119 26.496 0.971 83 HG3 LYS 13 HG2 LYS 13 -5.049 25.383 2.340 84 HD2 LYS 13 HD1 LYS 13 -5.213 27.213 3.898 85 HD3 LYS 13 HD2 LYS 13 -5.107 28.390 2.587 86 HE2 LYS 13 HE1 LYS 13 -7.316 26.362 2.912 87 HE3 LYS 13 HE2 LYS 13 -7.416 28.048 3.418 88 HZ1 LYS 13 HZ1 LYS 13 -7.357 26.926 0.702 89 HZ2 LYS 13 HZ2 LYS 13 -6.772 28.491 0.960 90 HZ3 LYS 13 HZ3 LYS 13 -8.374 28.113 1.350 91 H ASP 14 HN ASP 14 -2.259 25.369 -1.459 92 HA ASP 14 HA ASP 14 -0.053 27.289 -1.616 93 HB2 ASP 14 HB1 ASP 14 -0.134 24.870 -2.686 94 HB3 ASP 14 HB2 ASP 14 -0.980 25.715 -3.979 95 H GLU 15 HN GLU 15 -2.958 27.970 -1.313 96 HA GLU 15 HA GLU 15 -3.927 29.014 -3.754 97 HB2 GLU 15 HB1 GLU 15 -5.415 30.398 -2.259 98 HB3 GLU 15 HB2 GLU 15 -5.495 28.661 -2.003 99 HG2 GLU 15 HG1 GLU 15 -4.789 28.826 0.099 100 HG3 GLU 15 HG2 GLU 15 -3.507 29.959 -0.325 101 H GLY 16 HN GLY 16 -1.439 30.042 -1.687 102 HA2 GLY 16 HA2 GLY 16 -1.591 32.809 -2.677 103 HA3 GLY 16 HA1 GLY 16 -0.641 32.270 -1.301 104 H GLY 17 HN GLY 17 -0.875 32.112 -4.829 105 HA2 GLY 17 HA2 GLY 17 2.065 31.825 -4.891 106 HA3 GLY 17 HA1 GLY 17 1.029 30.919 -5.985 107 H ASP 18 HN ASP 18 -0.820 33.096 -6.449 108 HA ASP 18 HA ASP 18 -1.131 34.714 -8.023 109 HB2 ASP 18 HB1 ASP 18 1.474 35.768 -6.901 110 HB3 ASP 18 HB2 ASP 18 0.296 36.692 -7.828 111 H SER 19 HN SER 19 0.160 32.357 -8.937 112 HA SER 19 HA SER 19 1.514 33.457 -11.281 113 HB2 SER 19 HB1 SER 19 2.655 31.058 -9.847 114 HB3 SER 19 HB2 SER 19 3.380 31.985 -11.160 115 HG SER 19 HG SER 19 3.337 32.489 -8.452 116 H CYS 20 HN CYS 20 1.025 32.422 -13.146 117 HA CYS 20 HA CYS 20 -1.223 30.851 -13.381 118 HB2 CYS 20 HB1 CYS 20 -0.054 32.068 -15.237 119 HB3 CYS 20 HB2 CYS 20 1.136 30.771 -15.270 120 H SER 21 HN SER 21 -1.540 28.625 -13.907 121 HA SER 21 HA SER 21 0.377 26.882 -12.534 122 HB2 SER 21 HB1 SER 21 -2.385 26.079 -13.432 123 HB3 SER 21 HB2 SER 21 -1.396 25.370 -12.155 124 HG SER 21 HG SER 21 -1.617 27.603 -11.191 125 H GLY 22 HN GLY 22 -1.093 27.488 -15.634 126 HA2 GLY 22 HA2 GLY 22 0.095 25.053 -16.755 127 HA3 GLY 22 HA1 GLY 22 -1.063 26.101 -17.561 128 H CYS 23 HN CYS 23 1.017 28.193 -16.227 129 HA CYS 23 HA CYS 23 2.984 28.040 -18.403 130 HB2 CYS 23 HB1 CYS 23 1.380 30.482 -17.623 131 HB3 CYS 23 HB2 CYS 23 2.783 30.518 -18.687 132 H SER 24 HN SER 24 2.124 29.021 -15.183 133 HA SER 24 HA SER 24 3.409 29.405 -13.338 134 HB2 SER 24 HB1 SER 24 5.975 29.112 -14.830 135 HB3 SER 24 HB2 SER 24 5.534 28.527 -13.226 136 HG SER 24 HG SER 24 4.351 26.884 -14.181 137 H VAL 25 HN VAL 25 3.038 31.314 -15.822 138 HA VAL 25 HA VAL 25 5.106 33.255 -15.541 139 HB VAL 25 HB VAL 25 3.949 33.236 -17.613 140 HG11 VAL 25 HG11 VAL 25 1.597 32.956 -15.915 141 HG12 VAL 25 HG12 VAL 25 1.367 34.097 -17.242 142 HG13 VAL 25 HG13 VAL 25 1.862 32.437 -17.579 143 HG21 VAL 25 HG21 VAL 25 2.970 35.648 -16.090 144 HG22 VAL 25 HG22 VAL 25 4.595 35.459 -16.748 145 HG23 VAL 25 HG23 VAL 25 3.206 35.528 -17.833 146 H ARG 26 HN ARG 26 5.381 34.619 -13.913 147 HA ARG 26 HA ARG 26 3.575 34.907 -11.780 148 HB2 ARG 26 HB1 ARG 26 5.719 36.904 -12.489 149 HB3 ARG 26 HB2 ARG 26 5.086 36.513 -10.895 150 HG2 ARG 26 HG1 ARG 26 6.805 34.763 -12.638 151 HG3 ARG 26 HG2 ARG 26 7.271 35.559 -11.133 152 HD2 ARG 26 HD1 ARG 26 4.969 34.064 -10.548 153 HD3 ARG 26 HD2 ARG 26 5.989 33.019 -11.535 154 HE ARG 26 HE ARG 26 7.433 34.319 -9.432 155 HH11 ARG 26 HH11 ARG 26 5.387 31.613 -10.213 156 HH12 ARG 26 HH12 ARG 26 5.978 30.625 -8.918 157 HH21 ARG 26 HH21 ARG 26 8.219 33.028 -7.724 158 HH22 ARG 26 HH22 ARG 26 7.588 31.431 -7.502 159 H PHE 27 HN PHE 27 1.629 35.805 -11.956 160 HA PHE 27 HA PHE 27 0.744 37.535 -13.924 161 HB2 PHE 27 HB1 PHE 27 -0.270 37.377 -11.077 162 HB3 PHE 27 HB2 PHE 27 -1.155 38.013 -12.460 163 HD1 PHE 27 HD1 PHE 27 -1.064 35.359 -10.365 164 HD2 PHE 27 HD2 PHE 27 -0.985 36.176 -14.541 165 HE1 PHE 27 HE1 PHE 27 -1.958 33.111 -10.818 166 HE2 PHE 27 HE2 PHE 27 -1.879 33.931 -15.001 167 HZ PHE 27 HZ PHE 27 -2.368 32.395 -13.139 168 H SER 28 HN SER 28 0.715 39.703 -14.221 169 HA SER 28 HA SER 28 1.645 41.468 -12.093 170 HB2 SER 28 HB1 SER 28 2.904 41.774 -14.799 171 HB3 SER 28 HB2 SER 28 3.475 42.352 -13.234 172 HG SER 28 HG SER 28 4.630 40.504 -14.088 173 H LEU 29 HN LEU 29 1.959 43.763 -13.653 174 HA LEU 29 HA LEU 29 -0.736 44.576 -13.958 175 HB2 LEU 29 HB1 LEU 29 1.539 46.076 -15.182 176 HB3 LEU 29 HB2 LEU 29 0.087 46.695 -14.398 177 HG LEU 29 HG LEU 29 2.637 45.726 -13.170 178 HD11 LEU 29 HD11 LEU 29 2.123 47.805 -11.769 179 HD12 LEU 29 HD12 LEU 29 0.910 48.171 -12.995 180 HD13 LEU 29 HD13 LEU 29 2.609 48.043 -13.448 181 HD21 LEU 29 HD21 LEU 29 1.136 46.073 -10.990 182 HD22 LEU 29 HD22 LEU 29 1.359 44.500 -11.756 183 HD23 LEU 29 HD23 LEU 29 -0.099 45.441 -12.078 184 H THR 30 HN THR 30 1.345 42.902 -16.016 185 HA THR 30 HA THR 30 -0.186 43.712 -18.398 186 HB THR 30 HB THR 30 1.901 43.992 -19.214 187 HG1 THR 30 HG1 THR 30 2.760 41.909 -20.027 188 HG21 THR 30 HG21 THR 30 3.920 42.894 -18.313 189 HG22 THR 30 HG22 THR 30 2.904 41.971 -17.206 190 HG23 THR 30 HG23 THR 30 2.998 43.726 -17.062 191 H GLU 31 HN GLU 31 0.251 41.219 -16.156 192 HA GLU 31 HA GLU 31 -1.132 39.330 -17.943 193 HB2 GLU 31 HB1 GLU 31 1.259 38.706 -17.447 194 HB3 GLU 31 HB2 GLU 31 0.799 38.548 -15.757 195 HG2 GLU 31 HG1 GLU 31 0.812 36.380 -16.745 196 HG3 GLU 31 HG2 GLU 31 -0.860 36.833 -16.419 197 H ARG 32 HN ARG 32 -3.174 39.248 -17.273 198 HA ARG 32 HA ARG 32 -3.936 39.771 -14.561 199 HB2 ARG 32 HB1 ARG 32 -5.344 39.144 -17.105 200 HB3 ARG 32 HB2 ARG 32 -6.200 38.811 -15.605 201 HG2 ARG 32 HG1 ARG 32 -5.414 41.276 -15.041 202 HG3 ARG 32 HG2 ARG 32 -5.399 41.400 -16.802 203 HD2 ARG 32 HD1 ARG 32 -7.731 40.529 -16.817 204 HD3 ARG 32 HD2 ARG 32 -7.722 40.600 -15.055 205 HE ARG 32 HE ARG 32 -7.003 43.117 -15.959 206 HH11 ARG 32 HH11 ARG 32 -9.751 40.992 -16.174 207 HH12 ARG 32 HH12 ARG 32 -10.903 42.280 -16.296 208 HH21 ARG 32 HH21 ARG 32 -8.509 44.823 -16.119 209 HH22 ARG 32 HH22 ARG 32 -10.195 44.459 -16.265 210 H ARG 33 HN ARG 33 -5.354 38.248 -13.339 211 HA ARG 33 HA ARG 33 -4.608 35.437 -13.765 212 HB2 ARG 33 HB1 ARG 33 -3.972 35.112 -11.540 213 HB3 ARG 33 HB2 ARG 33 -3.253 36.664 -11.949 214 HG2 ARG 33 HG1 ARG 33 -4.174 37.349 -10.033 215 HG3 ARG 33 HG2 ARG 33 -5.665 37.439 -10.974 216 HD2 ARG 33 HD1 ARG 33 -6.476 35.443 -10.120 217 HD3 ARG 33 HD2 ARG 33 -4.872 34.874 -9.660 218 HE ARG 33 HE ARG 33 -6.656 36.416 -8.068 219 HH11 ARG 33 HH11 ARG 33 -3.284 35.878 -8.748 220 HH12 ARG 33 HH12 ARG 33 -2.752 36.390 -7.180 221 HH21 ARG 33 HH21 ARG 33 -5.968 37.093 -6.001 222 HH22 ARG 33 HH22 ARG 33 -4.280 37.080 -5.619 223 H HIS 34 HN HIS 34 -6.029 33.905 -12.648 224 HA HIS 34 HA HIS 34 -8.537 34.818 -11.597 225 HB2 HIS 34 HB1 HIS 34 -9.824 33.510 -13.423 226 HB3 HIS 34 HB2 HIS 34 -9.260 35.136 -13.797 227 HD1 HIS 34 HD1 HIS 34 -8.010 35.352 -15.921 228 HD2 HIS 34 HD2 HIS 34 -7.927 31.462 -14.465 229 HE1 HIS 34 HE1 HIS 34 -6.822 34.002 -17.678 230 H HIS 35 HN HIS 35 -9.120 33.400 -10.097 231 HA HIS 35 HA HIS 35 -7.846 30.808 -9.987 232 HB2 HIS 35 HB1 HIS 35 -7.995 31.919 -7.898 233 HB3 HIS 35 HB2 HIS 35 -9.699 32.297 -8.133 234 HD1 HIS 35 HD1 HIS 35 -11.369 30.210 -7.967 235 HD2 HIS 35 HD2 HIS 35 -7.500 29.563 -6.599 236 HE1 HIS 35 HE1 HIS 35 -11.490 28.122 -6.571 237 H CYS 36 HN CYS 36 -8.645 29.225 -11.205 238 HA CYS 36 HA CYS 36 -11.230 29.106 -12.266 239 HB2 CYS 36 HB1 CYS 36 -9.239 27.845 -13.111 240 HB3 CYS 36 HB2 CYS 36 -9.398 26.760 -11.734 241 H ARG 37 HN ARG 37 -13.109 28.738 -11.311 242 HA ARG 37 HA ARG 37 -13.247 27.768 -8.611 243 HB2 ARG 37 HB1 ARG 37 -15.623 28.146 -10.411 244 HB3 ARG 37 HB2 ARG 37 -15.522 28.341 -8.667 245 HG2 ARG 37 HG1 ARG 37 -14.258 30.152 -10.715 246 HG3 ARG 37 HG2 ARG 37 -15.731 30.485 -9.802 247 HD2 ARG 37 HD1 ARG 37 -13.547 29.750 -8.057 248 HD3 ARG 37 HD2 ARG 37 -13.121 31.126 -9.074 249 HE ARG 37 HE ARG 37 -14.995 31.095 -6.911 250 HH11 ARG 37 HH11 ARG 37 -14.185 32.621 -9.933 251 HH12 ARG 37 HH12 ARG 37 -14.991 34.106 -9.550 252 HH21 ARG 37 HH21 ARG 37 -16.060 33.045 -6.394 253 HH22 ARG 37 HH22 ARG 37 -16.056 34.347 -7.536 254 H ASN 38 HN ASN 38 -12.784 26.183 -11.410 255 HA ASN 38 HA ASN 38 -14.556 23.935 -10.797 256 HB2 ASN 38 HB1 ASN 38 -14.221 24.924 -13.165 257 HB3 ASN 38 HB2 ASN 38 -12.681 24.069 -13.146 258 HD21 ASN 38 HD21 ASN 38 -15.796 22.118 -14.383 259 HD22 ASN 38 HD22 ASN 38 -15.506 23.820 -14.459 260 H CYS 39 HN CYS 39 -11.115 24.641 -11.328 261 HA CYS 39 HA CYS 39 -10.449 22.071 -10.063 262 HB2 CYS 39 HB1 CYS 39 -8.491 23.819 -11.533 263 HB3 CYS 39 HB2 CYS 39 -8.398 22.090 -11.215 264 H GLY 40 HN GLY 40 -9.839 25.541 -9.950 265 HA2 GLY 40 HA2 GLY 40 -9.490 26.721 -7.925 266 HA3 GLY 40 HA1 GLY 40 -8.947 25.226 -7.177 267 H GLN 41 HN GLN 41 -7.768 26.240 -10.298 268 HA GLN 41 HA GLN 41 -5.164 26.839 -9.056 269 HB2 GLN 41 HB1 GLN 41 -5.589 25.735 -11.833 270 HB3 GLN 41 HB2 GLN 41 -4.066 25.897 -10.968 271 HG2 GLN 41 HG1 GLN 41 -5.571 24.332 -9.284 272 HG3 GLN 41 HG2 GLN 41 -6.044 23.772 -10.887 273 HE21 GLN 41 HE21 GLN 41 -2.889 22.156 -9.418 274 HE22 GLN 41 HE22 GLN 41 -4.337 22.671 -8.629 275 H LEU 42 HN LEU 42 -4.026 28.610 -9.755 276 HA LEU 42 HA LEU 42 -5.556 30.680 -11.031 277 HB2 LEU 42 HB1 LEU 42 -3.241 30.502 -9.374 278 HB3 LEU 42 HB2 LEU 42 -2.840 31.439 -10.812 279 HG LEU 42 HG LEU 42 -4.618 33.011 -10.322 280 HD11 LEU 42 HD11 LEU 42 -5.158 31.430 -7.818 281 HD12 LEU 42 HD12 LEU 42 -6.139 31.324 -9.279 282 HD13 LEU 42 HD13 LEU 42 -6.023 32.851 -8.405 283 HD21 LEU 42 HD21 LEU 42 -2.433 32.443 -8.462 284 HD22 LEU 42 HD22 LEU 42 -3.726 33.429 -7.776 285 HD23 LEU 42 HD23 LEU 42 -2.898 33.954 -9.243 286 H PHE 43 HN PHE 43 -5.485 31.335 -13.092 287 HA PHE 43 HA PHE 43 -3.313 30.349 -14.809 288 HB2 PHE 43 HB1 PHE 43 -6.266 30.297 -15.459 289 HB3 PHE 43 HB2 PHE 43 -4.982 29.962 -16.616 290 HD1 PHE 43 HD1 PHE 43 -3.405 28.021 -16.097 291 HD2 PHE 43 HD2 PHE 43 -7.138 28.601 -14.135 292 HE1 PHE 43 HE1 PHE 43 -3.414 25.655 -15.422 293 HE2 PHE 43 HE2 PHE 43 -7.153 26.236 -13.457 294 HZ PHE 43 HZ PHE 43 -5.289 24.760 -14.099 295 H CYS 44 HN CYS 44 -3.065 31.578 -16.818 296 HA CYS 44 HA CYS 44 -3.555 34.413 -16.334 297 HB2 CYS 44 HB1 CYS 44 -1.904 34.805 -18.091 298 HB3 CYS 44 HB2 CYS 44 -1.267 33.687 -16.889 299 H GLN 45 HN GLN 45 -4.179 35.798 -18.178 300 HA GLN 45 HA GLN 45 -6.625 35.038 -19.270 301 HB2 GLN 45 HB1 GLN 45 -6.580 37.080 -20.489 302 HB3 GLN 45 HB2 GLN 45 -5.753 37.386 -18.968 303 HG2 GLN 45 HG1 GLN 45 -3.599 37.170 -20.085 304 HG3 GLN 45 HG2 GLN 45 -4.419 36.841 -21.610 305 HE21 GLN 45 HE21 GLN 45 -3.461 40.388 -21.589 306 HE22 GLN 45 HE22 GLN 45 -2.651 38.864 -21.521 307 H LYS 46 HN LYS 46 -3.423 34.406 -20.349 308 HA LYS 46 HA LYS 46 -4.229 33.789 -23.070 309 HB2 LYS 46 HB1 LYS 46 -1.857 34.621 -21.947 310 HB3 LYS 46 HB2 LYS 46 -1.566 32.909 -22.222 311 HG2 LYS 46 HG1 LYS 46 -2.664 34.663 -24.387 312 HG3 LYS 46 HG2 LYS 46 -0.931 34.563 -24.069 313 HD2 LYS 46 HD1 LYS 46 -0.904 32.775 -25.401 314 HD3 LYS 46 HD2 LYS 46 -1.772 31.918 -24.125 315 HE2 LYS 46 HE1 LYS 46 -3.151 31.567 -25.936 316 HE3 LYS 46 HE2 LYS 46 -3.876 33.003 -25.216 317 HZ1 LYS 46 HZ1 LYS 46 -3.494 34.136 -27.064 318 HZ2 LYS 46 HZ2 LYS 46 -2.968 32.711 -27.807 319 HZ3 LYS 46 HZ3 LYS 46 -1.851 33.735 -27.055 320 H CYS 47 HN CYS 47 -4.071 32.212 -20.073 321 HA CYS 47 HA CYS 47 -3.665 29.558 -21.169 322 HB2 CYS 47 HB1 CYS 47 -3.466 30.767 -18.590 323 HB3 CYS 47 HB2 CYS 47 -4.622 29.443 -18.491 324 H SER 48 HN SER 48 -6.284 31.314 -19.518 325 HA SER 48 HA SER 48 -8.175 29.228 -20.287 326 HB2 SER 48 HB1 SER 48 -8.616 29.829 -18.090 327 HB3 SER 48 HB2 SER 48 -8.233 31.528 -18.368 328 HG SER 48 HG SER 48 -10.447 31.332 -18.176 329 H ARG 49 HN ARG 49 -7.596 32.684 -20.779 330 HA ARG 49 HA ARG 49 -8.675 34.207 -22.135 331 HB2 ARG 49 HB1 ARG 49 -8.543 33.472 -24.551 332 HB3 ARG 49 HB2 ARG 49 -7.039 33.381 -23.644 333 HG2 ARG 49 HG1 ARG 49 -7.433 30.962 -23.313 334 HG3 ARG 49 HG2 ARG 49 -8.865 31.091 -24.336 335 HD2 ARG 49 HD1 ARG 49 -6.921 32.284 -25.862 336 HD3 ARG 49 HD2 ARG 49 -6.038 30.985 -25.061 337 HE ARG 49 HE ARG 49 -8.416 29.920 -26.057 338 HH11 ARG 49 HH11 ARG 49 -5.456 31.316 -27.245 339 HH12 ARG 49 HH12 ARG 49 -5.475 30.418 -28.726 340 HH21 ARG 49 HH21 ARG 49 -8.452 28.733 -28.004 341 HH22 ARG 49 HH22 ARG 49 -7.180 28.950 -29.158 342 H PHE 50 HN PHE 50 -10.488 32.300 -20.779 343 HA PHE 50 HA PHE 50 -12.794 32.712 -22.531 344 HB2 PHE 50 HB1 PHE 50 -12.067 30.083 -21.228 345 HB3 PHE 50 HB2 PHE 50 -13.653 30.432 -21.908 346 HD1 PHE 50 HD1 PHE 50 -11.075 28.503 -22.575 347 HD2 PHE 50 HD2 PHE 50 -13.047 31.820 -24.373 348 HE1 PHE 50 HE1 PHE 50 -10.280 27.774 -24.787 349 HE2 PHE 50 HE2 PHE 50 -12.256 31.095 -26.586 350 HZ PHE 50 HZ PHE 50 -10.871 29.069 -26.796 351 H GLN 51 HN GLN 51 -14.875 32.145 -21.250 352 HA GLN 51 HA GLN 51 -14.738 32.429 -18.400 353 HB2 GLN 51 HB1 GLN 51 -15.239 34.780 -20.135 354 HB3 GLN 51 HB2 GLN 51 -16.298 34.595 -18.743 355 HG2 GLN 51 HG1 GLN 51 -14.130 34.317 -17.394 356 HG3 GLN 51 HG2 GLN 51 -13.337 35.005 -18.810 357 HE21 GLN 51 HE21 GLN 51 -13.857 38.154 -17.487 358 HE22 GLN 51 HE22 GLN 51 -12.763 36.964 -18.098 359 H SER 52 HN SER 52 -16.452 31.458 -17.527 360 HA SER 52 HA SER 52 -19.097 31.666 -18.452 361 HB2 SER 52 HB1 SER 52 -17.566 29.851 -19.963 362 HB3 SER 52 HB2 SER 52 -18.566 28.863 -18.899 363 HG SER 52 HG SER 52 -20.169 29.309 -20.162 364 H GLU 53 HN GLU 53 -20.488 29.814 -17.443 365 HA GLU 53 HA GLU 53 -19.783 29.725 -14.653 366 HB2 GLU 53 HB1 GLU 53 -21.996 28.540 -14.439 367 HB3 GLU 53 HB2 GLU 53 -22.073 30.150 -15.140 368 HG2 GLU 53 HG1 GLU 53 -23.153 29.325 -16.877 369 HG3 GLU 53 HG2 GLU 53 -21.743 28.346 -17.277 370 H ILE 54 HN ILE 54 -20.592 27.446 -13.613 371 HA ILE 54 HA ILE 54 -19.245 25.266 -15.043 372 HB ILE 54 HB ILE 54 -18.731 25.952 -12.146 373 HG12 ILE 54 HG11 ILE 54 -16.699 25.921 -14.366 374 HG13 ILE 54 HG12 ILE 54 -17.636 27.368 -14.010 375 HG21 ILE 54 HG21 ILE 54 -17.693 23.718 -13.882 376 HG22 ILE 54 HG22 ILE 54 -17.071 24.117 -12.282 377 HG23 ILE 54 HG23 ILE 54 -18.736 23.568 -12.468 378 HD11 ILE 54 HD11 ILE 54 -15.644 25.963 -12.268 379 HD12 ILE 54 HD12 ILE 54 -15.620 27.626 -12.855 380 HD13 ILE 54 HD13 ILE 54 -16.791 27.140 -11.629 381 H LYS 55 HN LYS 55 -21.405 24.523 -15.426 382 HA LYS 55 HA LYS 55 -23.295 23.992 -13.427 383 HB2 LYS 55 HB1 LYS 55 -22.881 23.233 -16.236 384 HB3 LYS 55 HB2 LYS 55 -23.793 22.056 -15.299 385 HG2 LYS 55 HG1 LYS 55 -24.467 24.980 -15.563 386 HG3 LYS 55 HG2 LYS 55 -25.249 23.658 -16.433 387 HD2 LYS 55 HD1 LYS 55 -26.601 23.257 -14.711 388 HD3 LYS 55 HD2 LYS 55 -25.230 23.115 -13.610 389 HE2 LYS 55 HE1 LYS 55 -25.337 25.801 -13.964 390 HE3 LYS 55 HE2 LYS 55 -27.043 25.378 -14.102 391 HZ1 LYS 55 HZ1 LYS 55 -25.227 24.877 -11.817 392 HZ2 LYS 55 HZ2 LYS 55 -26.732 24.120 -11.965 393 HZ3 LYS 55 HZ3 LYS 55 -26.642 25.804 -11.838 394 H ARG 56 HN ARG 56 -20.490 22.212 -14.492 395 HA ARG 56 HA ARG 56 -21.098 19.692 -13.437 396 HB2 ARG 56 HB1 ARG 56 -19.236 19.910 -14.917 397 HB3 ARG 56 HB2 ARG 56 -18.464 21.095 -13.871 398 HG2 ARG 56 HG1 ARG 56 -18.151 19.356 -12.163 399 HG3 ARG 56 HG2 ARG 56 -18.872 18.176 -13.259 400 HD2 ARG 56 HD1 ARG 56 -16.707 19.721 -14.463 401 HD3 ARG 56 HD2 ARG 56 -16.199 18.766 -13.070 402 HE ARG 56 HE ARG 56 -16.932 17.785 -15.650 403 HH11 ARG 56 HH11 ARG 56 -16.898 17.020 -12.254 404 HH12 ARG 56 HH12 ARG 56 -16.867 15.307 -12.507 405 HH21 ARG 56 HH21 ARG 56 -16.890 15.530 -15.996 406 HH22 ARG 56 HH22 ARG 56 -16.861 14.460 -14.636 407 H LEU 57 HN LEU 57 -20.323 22.642 -11.878 408 HA LEU 57 HA LEU 57 -19.940 21.220 -9.326 409 HB2 LEU 57 HB1 LEU 57 -18.353 23.192 -10.547 410 HB3 LEU 57 HB2 LEU 57 -19.167 23.981 -9.197 411 HG LEU 57 HG LEU 57 -18.223 22.385 -7.645 412 HD11 LEU 57 HD11 LEU 57 -18.120 20.355 -8.776 413 HD12 LEU 57 HD12 LEU 57 -16.426 20.815 -8.601 414 HD13 LEU 57 HD13 LEU 57 -17.248 21.049 -10.144 415 HD21 LEU 57 HD21 LEU 57 -16.620 23.941 -7.621 416 HD22 LEU 57 HD22 LEU 57 -16.598 24.076 -9.380 417 HD23 LEU 57 HD23 LEU 57 -15.677 22.800 -8.580 418 H LYS 58 HN LYS 58 -22.388 22.271 -10.846 419 HA LYS 58 HA LYS 58 -24.446 23.037 -10.236 420 HB2 LYS 58 HB1 LYS 58 -23.414 23.543 -7.456 421 HB3 LYS 58 HB2 LYS 58 -25.052 23.150 -7.961 422 HG2 LYS 58 HG1 LYS 58 -23.785 20.939 -8.795 423 HG3 LYS 58 HG2 LYS 58 -22.753 21.383 -7.434 424 HD2 LYS 58 HD1 LYS 58 -24.279 20.699 -5.959 425 HD3 LYS 58 HD2 LYS 58 -25.553 21.627 -6.755 426 HE2 LYS 58 HE1 LYS 58 -26.303 19.843 -7.917 427 HE3 LYS 58 HE2 LYS 58 -24.684 19.192 -8.165 428 HZ1 LYS 58 HZ1 LYS 58 -26.416 18.904 -5.782 429 HZ2 LYS 58 HZ2 LYS 58 -24.761 18.559 -5.741 430 HZ3 LYS 58 HZ3 LYS 58 -25.782 17.683 -6.766 431 H ILE 59 HN ILE 59 -22.179 24.776 -11.076 432 HA ILE 59 HA ILE 59 -23.017 27.328 -9.881 433 HB ILE 59 HB ILE 59 -20.588 26.754 -11.583 434 HG12 ILE 59 HG11 ILE 59 -20.844 27.166 -8.596 435 HG13 ILE 59 HG12 ILE 59 -20.452 25.650 -9.399 436 HG21 ILE 59 HG21 ILE 59 -20.449 29.128 -9.972 437 HG22 ILE 59 HG22 ILE 59 -20.271 28.947 -11.716 438 HG23 ILE 59 HG23 ILE 59 -21.872 29.174 -11.012 439 HD11 ILE 59 HD11 ILE 59 -18.314 26.174 -9.234 440 HD12 ILE 59 HD12 ILE 59 -18.590 27.541 -10.315 441 HD13 ILE 59 HD13 ILE 59 -18.719 27.757 -8.569 442 H SER 60 HN SER 60 -24.455 28.466 -10.983 443 HA SER 60 HA SER 60 -24.718 28.038 -13.869 444 HB2 SER 60 HB1 SER 60 -26.933 28.343 -13.595 445 HB3 SER 60 HB2 SER 60 -26.619 28.212 -11.865 446 HG SER 60 HG SER 60 -27.696 30.223 -12.969 447 H SER 61 HN SER 61 -23.689 30.358 -11.545 448 HA SER 61 HA SER 61 -23.943 32.658 -13.242 449 HB2 SER 61 HB1 SER 61 -22.091 33.350 -11.325 450 HB3 SER 61 HB2 SER 61 -23.838 33.525 -11.161 451 HG SER 61 HG SER 61 -23.455 32.293 -9.473 452 HA PRO 62 HA PRO 62 -20.256 32.305 -15.603 453 HB2 PRO 62 HB1 PRO 62 -19.686 34.928 -16.009 454 HB3 PRO 62 HB2 PRO 62 -21.022 34.099 -16.817 455 HG2 PRO 62 HG1 PRO 62 -21.074 35.874 -14.407 456 HG3 PRO 62 HG2 PRO 62 -22.182 35.834 -15.790 457 HD2 PRO 62 HD1 PRO 62 -22.777 34.681 -13.414 458 HD3 PRO 62 HD2 PRO 62 -23.352 34.029 -14.962 459 H VAL 63 HN VAL 63 -18.327 31.714 -14.856 460 HA VAL 63 HA VAL 63 -16.872 33.534 -13.072 461 HB VAL 63 HB VAL 63 -16.099 31.699 -11.679 462 HG11 VAL 63 HG11 VAL 63 -18.717 32.729 -11.735 463 HG12 VAL 63 HG12 VAL 63 -18.858 31.015 -11.338 464 HG13 VAL 63 HG13 VAL 63 -17.841 32.069 -10.354 465 HG21 VAL 63 HG21 VAL 63 -17.965 29.946 -13.275 466 HG22 VAL 63 HG22 VAL 63 -16.205 29.931 -13.390 467 HG23 VAL 63 HG23 VAL 63 -16.994 29.452 -11.888 468 H ARG 64 HN ARG 64 -14.536 32.469 -12.753 469 HA ARG 64 HA ARG 64 -13.422 32.371 -15.413 470 HB2 ARG 64 HB1 ARG 64 -11.788 31.942 -12.943 471 HB3 ARG 64 HB2 ARG 64 -11.363 32.781 -14.429 472 HG2 ARG 64 HG1 ARG 64 -13.211 33.772 -12.270 473 HG3 ARG 64 HG2 ARG 64 -11.590 34.366 -12.636 474 HD2 ARG 64 HD1 ARG 64 -12.353 35.094 -14.840 475 HD3 ARG 64 HD2 ARG 64 -13.970 34.487 -14.485 476 HE ARG 64 HE ARG 64 -14.359 36.352 -13.204 477 HH11 ARG 64 HH11 ARG 64 -10.960 36.121 -13.918 478 HH12 ARG 64 HH12 ARG 64 -10.589 37.695 -13.297 479 HH21 ARG 64 HH21 ARG 64 -13.884 38.427 -12.384 480 HH22 ARG 64 HH22 ARG 64 -12.253 39.006 -12.425 481 H VAL 65 HN VAL 65 -12.784 30.616 -16.497 482 HA VAL 65 HA VAL 65 -12.280 28.122 -15.055 483 HB VAL 65 HB VAL 65 -13.665 26.801 -16.534 484 HG11 VAL 65 HG11 VAL 65 -15.549 28.954 -15.716 485 HG12 VAL 65 HG12 VAL 65 -15.660 27.207 -15.491 486 HG13 VAL 65 HG13 VAL 65 -14.584 28.162 -14.471 487 HG21 VAL 65 HG21 VAL 65 -15.336 28.557 -17.856 488 HG22 VAL 65 HG22 VAL 65 -13.737 29.269 -18.069 489 HG23 VAL 65 HG23 VAL 65 -14.039 27.609 -18.582 490 H CYS 66 HN CYS 66 -10.662 26.933 -15.906 491 HA CYS 66 HA CYS 66 -8.975 28.071 -17.867 492 HB2 CYS 66 HB1 CYS 66 -7.707 25.950 -17.697 493 HB3 CYS 66 HB2 CYS 66 -8.078 26.639 -16.120 494 H GLN 67 HN GLN 67 -8.330 27.111 -19.908 495 HA GLN 67 HA GLN 67 -10.390 26.744 -21.695 496 HB2 GLN 67 HB1 GLN 67 -8.271 27.286 -22.579 497 HB3 GLN 67 HB2 GLN 67 -7.500 25.913 -21.796 498 HG2 GLN 67 HG1 GLN 67 -8.676 24.388 -23.286 499 HG3 GLN 67 HG2 GLN 67 -9.475 25.755 -24.062 500 HE21 GLN 67 HE21 GLN 67 -6.624 26.790 -25.873 501 HE22 GLN 67 HE22 GLN 67 -8.084 27.333 -25.126 502 H ASN 68 HN ASN 68 -8.476 24.253 -20.045 503 HA ASN 68 HA ASN 68 -9.548 22.003 -21.268 504 HB2 ASN 68 HB1 ASN 68 -7.836 22.532 -19.095 505 HB3 ASN 68 HB2 ASN 68 -9.115 21.500 -18.462 506 HD21 ASN 68 HD21 ASN 68 -7.945 18.619 -19.958 507 HD22 ASN 68 HD22 ASN 68 -9.072 19.388 -18.898 508 H CYS 69 HN CYS 69 -10.886 24.074 -18.805 509 HA CYS 69 HA CYS 69 -13.058 22.241 -18.210 510 HB2 CYS 69 HB1 CYS 69 -12.178 24.905 -17.162 511 HB3 CYS 69 HB2 CYS 69 -13.829 24.368 -16.873 512 H TYR 70 HN TYR 70 -12.728 25.519 -19.568 513 HA TYR 70 HA TYR 70 -15.350 26.021 -20.218 514 HB2 TYR 70 HB1 TYR 70 -13.473 27.630 -20.480 515 HB3 TYR 70 HB2 TYR 70 -12.951 26.749 -21.912 516 HD1 TYR 70 HD1 TYR 70 -14.060 27.032 -24.010 517 HD2 TYR 70 HD2 TYR 70 -15.608 28.885 -20.506 518 HE1 TYR 70 HE1 TYR 70 -15.561 28.396 -25.402 519 HE2 TYR 70 HE2 TYR 70 -17.114 30.252 -21.888 520 HH TYR 70 HH TYR 70 -17.996 29.628 -24.820 521 H TYR 71 HN TYR 71 -12.927 24.392 -22.253 522 HA TYR 71 HA TYR 71 -14.465 23.911 -24.492 523 HB2 TYR 71 HB1 TYR 71 -12.016 22.861 -23.359 524 HB3 TYR 71 HB2 TYR 71 -12.927 21.593 -24.172 525 HD1 TYR 71 HD1 TYR 71 -10.588 24.186 -24.608 526 HD2 TYR 71 HD2 TYR 71 -13.812 22.221 -26.569 527 HE1 TYR 71 HE1 TYR 71 -9.745 24.981 -26.778 528 HE2 TYR 71 HE2 TYR 71 -12.978 23.010 -28.744 529 HH TYR 71 HH TYR 71 -10.378 25.318 -28.987 530 H ASN 72 HN ASN 72 -14.420 22.195 -21.428 531 HA ASN 72 HA ASN 72 -16.205 20.125 -22.385 532 HB2 ASN 72 HB1 ASN 72 -14.447 20.477 -20.144 533 HB3 ASN 72 HB2 ASN 72 -16.059 20.078 -19.556 534 HD21 ASN 72 HD21 ASN 72 -15.586 16.726 -20.143 535 HD22 ASN 72 HD22 ASN 72 -16.257 18.002 -19.191 536 H LEU 73 HN LEU 73 -16.423 23.190 -20.817 537 HA LEU 73 HA LEU 73 -19.010 22.804 -19.658 538 HB2 LEU 73 HB1 LEU 73 -17.372 25.256 -20.252 539 HB3 LEU 73 HB2 LEU 73 -18.966 25.327 -19.503 540 HG LEU 73 HG LEU 73 -16.633 23.833 -18.316 541 HD11 LEU 73 HD11 LEU 73 -15.910 26.058 -18.295 542 HD12 LEU 73 HD12 LEU 73 -16.640 25.814 -16.709 543 HD13 LEU 73 HD13 LEU 73 -17.528 26.675 -17.965 544 HD21 LEU 73 HD21 LEU 73 -17.945 23.722 -16.345 545 HD22 LEU 73 HD22 LEU 73 -18.984 23.201 -17.671 546 HD23 LEU 73 HD23 LEU 73 -19.154 24.825 -17.004 547 H GLN 74 HN GLN 74 -17.787 24.163 -22.674 548 HA GLN 74 HA GLN 74 -20.414 24.973 -23.555 549 HB2 GLN 74 HB1 GLN 74 -19.256 25.575 -25.660 550 HB3 GLN 74 HB2 GLN 74 -18.515 26.304 -24.241 551 HG2 GLN 74 HG1 GLN 74 -16.565 25.430 -24.786 552 HG3 GLN 74 HG2 GLN 74 -17.252 23.808 -24.718 553 HE21 GLN 74 HE21 GLN 74 -15.853 24.829 -28.123 554 HE22 GLN 74 HE22 GLN 74 -15.269 25.151 -26.529 555 H HIS 75 HN HIS 75 -18.331 22.217 -23.882 556 HA HIS 75 HA HIS 75 -20.002 21.081 -25.997 557 HB2 HIS 75 HB1 HIS 75 -17.355 21.018 -25.813 558 HB3 HIS 75 HB2 HIS 75 -17.692 19.597 -24.828 559 HD1 HIS 75 HD1 HIS 75 -18.362 20.923 -28.315 560 HD2 HIS 75 HD2 HIS 75 -18.184 17.323 -26.248 561 HE1 HIS 75 HE1 HIS 75 -18.579 19.130 -30.066 562 H GLU 76 HN GLU 76 -20.531 21.402 -22.941 563 HA GLU 76 HA GLU 76 -20.778 18.762 -21.922 564 HB2 GLU 76 HB1 GLU 76 -21.913 19.734 -20.079 565 HB3 GLU 76 HB2 GLU 76 -20.685 20.894 -20.566 566 HG2 GLU 76 HG1 GLU 76 -22.461 22.096 -21.856 567 HG3 GLU 76 HG2 GLU 76 -23.638 21.019 -21.107 568 H ARG 77 HN ARG 77 -22.831 20.828 -23.840 569 HA ARG 77 HA ARG 77 -25.101 19.017 -23.562 570 HB2 ARG 77 HB1 ARG 77 -24.847 21.578 -25.150 571 HB3 ARG 77 HB2 ARG 77 -26.331 20.674 -24.878 572 HG2 ARG 77 HG1 ARG 77 -26.226 21.142 -22.509 573 HG3 ARG 77 HG2 ARG 77 -24.677 21.962 -22.717 574 HD2 ARG 77 HD1 ARG 77 -27.271 22.812 -24.000 575 HD3 ARG 77 HD2 ARG 77 -26.592 23.520 -22.534 576 HE ARG 77 HE ARG 77 -24.631 23.685 -24.482 577 HH11 ARG 77 HH11 ARG 77 -27.850 24.902 -23.960 578 HH12 ARG 77 HH12 ARG 77 -27.590 26.352 -24.873 579 HH21 ARG 77 HH21 ARG 77 -24.276 25.590 -25.686 580 HH22 ARG 77 HH22 ARG 77 -25.557 26.742 -25.855 581 H GLY 78 HN GLY 78 -22.638 19.942 -25.866 582 HA2 GLY 78 HA2 GLY 78 -22.759 17.598 -27.348 583 HA3 GLY 78 HA1 GLY 78 -23.814 18.747 -28.157 Start of MODEL 18 1 H1 SER 1 HN SER 1 27.396 50.674 4.990 2 HA SER 1 HA SER 1 26.719 48.447 6.064 3 HB2 SER 1 HB1 SER 1 26.444 49.218 8.675 4 HB3 SER 1 HB2 SER 1 27.766 48.228 8.058 5 HG SER 1 HG SER 1 27.732 50.944 8.737 6 H ASN 2 HN ASN 2 24.613 48.408 5.692 7 HA ASN 2 HA ASN 2 23.025 50.753 5.600 8 HB2 ASN 2 HB1 ASN 2 21.939 47.942 5.716 9 HB3 ASN 2 HB2 ASN 2 21.245 49.347 4.911 10 HD21 ASN 2 HD21 ASN 2 23.430 46.863 2.816 11 HD22 ASN 2 HD22 ASN 2 22.617 46.521 4.302 12 H ALA 3 HN ALA 3 20.612 50.165 6.695 13 HA ALA 3 HA ALA 3 21.111 49.764 9.563 14 HB1 ALA 3 HB1 ALA 3 20.148 52.196 8.233 15 HB2 ALA 3 HB2 ALA 3 19.192 51.681 9.623 16 HB3 ALA 3 HB3 ALA 3 20.919 51.988 9.806 17 H GLY 4 HN GLY 4 18.245 50.727 7.685 18 HA2 GLY 4 HA2 GLY 4 16.253 49.631 7.309 19 HA3 GLY 4 HA1 GLY 4 17.040 48.140 7.804 20 H ARG 5 HN ARG 5 14.401 48.737 8.472 21 HA ARG 5 HA ARG 5 14.561 48.539 11.344 22 HB2 ARG 5 HB1 ARG 5 13.708 51.013 10.020 23 HB3 ARG 5 HB2 ARG 5 12.544 50.397 11.187 24 HG2 ARG 5 HG1 ARG 5 15.367 50.496 12.053 25 HG3 ARG 5 HG2 ARG 5 14.537 52.039 11.844 26 HD2 ARG 5 HD1 ARG 5 13.341 51.748 13.704 27 HD3 ARG 5 HD2 ARG 5 12.896 50.105 13.245 28 HE ARG 5 HE ARG 5 15.521 49.982 14.083 29 HH11 ARG 5 HH11 ARG 5 12.452 50.892 15.450 30 HH12 ARG 5 HH12 ARG 5 12.886 50.433 17.063 31 HH21 ARG 5 HH21 ARG 5 16.106 49.374 16.202 32 HH22 ARG 5 HH22 ARG 5 14.966 49.571 17.490 33 H SER 6 HN SER 6 11.936 49.495 9.141 34 HA SER 6 HA SER 6 10.793 46.880 9.045 35 HB2 SER 6 HB1 SER 6 8.682 47.510 10.266 36 HB3 SER 6 HB2 SER 6 10.099 47.335 11.301 37 HG SER 6 HG SER 6 9.983 49.379 11.788 38 H ALA 7 HN ALA 7 8.443 47.065 8.149 39 HA ALA 7 HA ALA 7 8.397 49.264 6.184 40 HB1 ALA 7 HB1 ALA 7 7.520 46.402 5.817 41 HB2 ALA 7 HB2 ALA 7 7.293 47.691 4.633 42 HB3 ALA 7 HB3 ALA 7 8.921 47.182 5.081 43 H ALA 8 HN ALA 8 6.027 46.755 7.014 44 HA ALA 8 HA ALA 8 4.244 48.759 8.155 45 HB1 ALA 8 HB1 ALA 8 3.438 49.004 6.011 46 HB2 ALA 8 HB2 ALA 8 3.740 47.318 5.589 47 HB3 ALA 8 HB3 ALA 8 2.387 47.735 6.641 48 H ASP 9 HN ASP 9 5.499 46.809 9.563 49 HA ASP 9 HA ASP 9 5.108 45.169 11.091 50 HB2 ASP 9 HB1 ASP 9 2.453 46.264 10.505 51 HB3 ASP 9 HB2 ASP 9 2.415 44.602 11.086 52 H HIS 10 HN HIS 10 6.242 43.758 9.600 53 HA HIS 10 HA HIS 10 4.959 42.176 7.664 54 HB2 HIS 10 HB1 HIS 10 7.348 42.369 7.618 55 HB3 HIS 10 HB2 HIS 10 7.489 41.728 9.253 56 HD1 HIS 10 HD1 HIS 10 7.600 39.218 9.513 57 HD2 HIS 10 HD2 HIS 10 6.694 40.405 5.636 58 HE1 HIS 10 HE1 HIS 10 7.748 37.131 8.119 59 H TRP 11 HN TRP 11 3.076 41.260 8.416 60 HA TRP 11 HA TRP 11 3.398 39.207 10.506 61 HB2 TRP 11 HB1 TRP 11 1.799 41.360 10.758 62 HB3 TRP 11 HB2 TRP 11 0.683 40.263 9.948 63 HD1 TRP 11 HD1 TRP 11 0.637 37.679 11.251 64 HE1 TRP 11 HE1 TRP 11 0.380 37.271 13.779 65 HE3 TRP 11 HE3 TRP 11 2.122 42.260 12.967 66 HZ2 TRP 11 HZ2 TRP 11 0.756 38.703 16.183 67 HZ3 TRP 11 HZ3 TRP 11 2.144 42.660 15.394 68 HH2 TRP 11 HH2 TRP 11 1.474 40.917 16.968 69 H VAL 12 HN VAL 12 3.773 38.981 7.597 70 HA VAL 12 HA VAL 12 2.452 36.529 7.182 71 HB VAL 12 HB VAL 12 0.543 38.181 6.830 72 HG11 VAL 12 HG11 VAL 12 2.003 38.706 4.245 73 HG12 VAL 12 HG12 VAL 12 0.439 39.360 4.734 74 HG13 VAL 12 HG13 VAL 12 1.904 39.842 5.590 75 HG21 VAL 12 HG21 VAL 12 -0.445 36.630 5.539 76 HG22 VAL 12 HG22 VAL 12 0.785 36.749 4.281 77 HG23 VAL 12 HG23 VAL 12 1.080 35.761 5.711 78 H LYS 13 HN LYS 13 2.913 35.599 5.056 79 HA LYS 13 HA LYS 13 4.581 36.928 3.183 80 HB2 LYS 13 HB1 LYS 13 6.123 36.519 5.188 81 HB3 LYS 13 HB2 LYS 13 6.007 34.811 4.784 82 HG2 LYS 13 HG1 LYS 13 7.268 35.024 2.902 83 HG3 LYS 13 HG2 LYS 13 6.763 36.691 2.618 84 HD2 LYS 13 HD1 LYS 13 8.208 37.493 4.351 85 HD3 LYS 13 HD2 LYS 13 8.581 35.848 4.871 86 HE2 LYS 13 HE1 LYS 13 9.755 35.407 2.825 87 HE3 LYS 13 HE2 LYS 13 9.241 36.949 2.143 88 HZ1 LYS 13 HZ1 LYS 13 11.327 36.387 4.105 89 HZ2 LYS 13 HZ2 LYS 13 10.460 37.826 4.299 90 HZ3 LYS 13 HZ3 LYS 13 11.295 37.529 2.858 91 H ASP 14 HN ASP 14 2.219 35.206 3.333 92 HA ASP 14 HA ASP 14 2.670 33.626 1.059 93 HB2 ASP 14 HB1 ASP 14 3.794 32.335 3.094 94 HB3 ASP 14 HB2 ASP 14 2.135 31.803 3.357 95 H GLU 15 HN GLU 15 0.770 34.170 0.182 96 HA GLU 15 HA GLU 15 -1.669 33.698 1.768 97 HB2 GLU 15 HB1 GLU 15 -1.118 36.088 1.028 98 HB3 GLU 15 HB2 GLU 15 -1.487 35.546 -0.603 99 HG2 GLU 15 HG1 GLU 15 -3.727 35.277 -0.156 100 HG3 GLU 15 HG2 GLU 15 -3.468 35.091 1.577 101 H GLY 16 HN GLY 16 0.123 32.792 -0.976 102 HA2 GLY 16 HA2 GLY 16 -1.429 30.610 -1.650 103 HA3 GLY 16 HA1 GLY 16 -2.017 31.930 -2.650 104 H GLY 17 HN GLY 17 -0.848 32.587 -4.401 105 HA2 GLY 17 HA2 GLY 17 1.896 31.739 -4.754 106 HA3 GLY 17 HA1 GLY 17 0.748 30.918 -5.801 107 H ASP 18 HN ASP 18 -0.984 32.854 -6.529 108 HA ASP 18 HA ASP 18 -1.297 34.601 -7.954 109 HB2 ASP 18 HB1 ASP 18 1.375 35.662 -7.033 110 HB3 ASP 18 HB2 ASP 18 0.027 36.574 -7.707 111 H SER 19 HN SER 19 -0.108 32.226 -8.914 112 HA SER 19 HA SER 19 1.289 33.303 -11.248 113 HB2 SER 19 HB1 SER 19 2.617 30.942 -10.939 114 HB3 SER 19 HB2 SER 19 3.237 32.505 -10.408 115 HG SER 19 HG SER 19 1.734 30.699 -8.814 116 H CYS 20 HN CYS 20 1.179 31.943 -13.119 117 HA CYS 20 HA CYS 20 -1.327 30.634 -13.394 118 HB2 CYS 20 HB1 CYS 20 -0.226 31.841 -15.247 119 HB3 CYS 20 HB2 CYS 20 1.049 30.626 -15.268 120 H SER 21 HN SER 21 -1.752 28.443 -13.883 121 HA SER 21 HA SER 21 0.048 26.607 -12.514 122 HB2 SER 21 HB1 SER 21 -1.952 25.866 -11.792 123 HB3 SER 21 HB2 SER 21 -2.816 26.717 -13.073 124 HG SER 21 HG SER 21 -1.832 24.108 -13.009 125 H GLY 22 HN GLY 22 -1.168 27.295 -15.721 126 HA2 GLY 22 HA2 GLY 22 0.211 24.931 -16.791 127 HA3 GLY 22 HA1 GLY 22 -0.961 25.915 -17.655 128 H CYS 23 HN CYS 23 1.157 27.891 -15.993 129 HA CYS 23 HA CYS 23 3.168 27.961 -18.101 130 HB2 CYS 23 HB1 CYS 23 1.429 30.335 -17.401 131 HB3 CYS 23 HB2 CYS 23 2.866 30.408 -18.415 132 H SER 24 HN SER 24 2.001 29.006 -14.974 133 HA SER 24 HA SER 24 3.110 29.464 -13.034 134 HB2 SER 24 HB1 SER 24 4.677 27.628 -13.933 135 HB3 SER 24 HB2 SER 24 5.732 28.952 -14.429 136 HG SER 24 HG SER 24 6.416 28.526 -12.426 137 H VAL 25 HN VAL 25 2.961 31.283 -15.585 138 HA VAL 25 HA VAL 25 5.039 33.196 -15.272 139 HB VAL 25 HB VAL 25 3.961 33.165 -17.377 140 HG11 VAL 25 HG11 VAL 25 1.534 32.945 -15.762 141 HG12 VAL 25 HG12 VAL 25 1.373 34.016 -17.155 142 HG13 VAL 25 HG13 VAL 25 1.878 32.341 -17.382 143 HG21 VAL 25 HG21 VAL 25 4.566 35.404 -16.502 144 HG22 VAL 25 HG22 VAL 25 3.248 35.449 -17.673 145 HG23 VAL 25 HG23 VAL 25 2.903 35.603 -15.950 146 H ARG 26 HN ARG 26 5.297 34.306 -13.444 147 HA ARG 26 HA ARG 26 3.445 34.772 -11.457 148 HB2 ARG 26 HB1 ARG 26 5.646 36.714 -12.152 149 HB3 ARG 26 HB2 ARG 26 4.951 36.393 -10.569 150 HG2 ARG 26 HG1 ARG 26 6.699 34.561 -12.193 151 HG3 ARG 26 HG2 ARG 26 7.107 35.373 -10.680 152 HD2 ARG 26 HD1 ARG 26 4.762 33.953 -10.150 153 HD3 ARG 26 HD2 ARG 26 5.756 32.863 -11.115 154 HE ARG 26 HE ARG 26 6.252 33.739 -8.422 155 HH11 ARG 26 HH11 ARG 26 7.687 32.503 -11.343 156 HH12 ARG 26 HH12 ARG 26 9.063 31.827 -10.537 157 HH21 ARG 26 HH21 ARG 26 8.059 32.853 -7.348 158 HH22 ARG 26 HH22 ARG 26 9.273 32.026 -8.264 159 H PHE 27 HN PHE 27 1.504 35.666 -11.729 160 HA PHE 27 HA PHE 27 0.725 37.421 -13.727 161 HB2 PHE 27 HB1 PHE 27 -0.450 37.248 -10.945 162 HB3 PHE 27 HB2 PHE 27 -1.258 37.858 -12.386 163 HD1 PHE 27 HD1 PHE 27 -0.808 35.953 -14.426 164 HD2 PHE 27 HD2 PHE 27 -1.392 35.276 -10.265 165 HE1 PHE 27 HE1 PHE 27 -1.644 33.691 -14.915 166 HE2 PHE 27 HE2 PHE 27 -2.228 33.013 -10.747 167 HZ PHE 27 HZ PHE 27 -2.355 32.218 -13.074 168 H SER 28 HN SER 28 0.325 39.661 -13.773 169 HA SER 28 HA SER 28 1.310 41.343 -11.639 170 HB2 SER 28 HB1 SER 28 2.995 42.492 -12.961 171 HB3 SER 28 HB2 SER 28 3.371 40.770 -12.914 172 HG SER 28 HG SER 28 2.208 40.681 -14.991 173 H LEU 29 HN LEU 29 1.515 43.732 -12.954 174 HA LEU 29 HA LEU 29 -1.186 44.451 -13.322 175 HB2 LEU 29 HB1 LEU 29 1.087 46.098 -14.358 176 HB3 LEU 29 HB2 LEU 29 -0.433 46.629 -13.643 177 HG LEU 29 HG LEU 29 0.718 45.332 -11.546 178 HD11 LEU 29 HD11 LEU 29 3.075 46.577 -11.687 179 HD12 LEU 29 HD12 LEU 29 2.859 46.193 -13.395 180 HD13 LEU 29 HD13 LEU 29 2.844 44.903 -12.192 181 HD21 LEU 29 HD21 LEU 29 -0.316 47.483 -11.381 182 HD22 LEU 29 HD22 LEU 29 0.942 48.222 -12.372 183 HD23 LEU 29 HD23 LEU 29 1.329 47.619 -10.760 184 H THR 30 HN THR 30 1.128 43.140 -15.459 185 HA THR 30 HA THR 30 -0.383 44.017 -17.819 186 HB THR 30 HB THR 30 1.517 43.131 -19.139 187 HG1 THR 30 HG1 THR 30 2.728 42.721 -16.588 188 HG21 THR 30 HG21 THR 30 1.433 45.453 -17.589 189 HG22 THR 30 HG22 THR 30 2.457 45.149 -18.992 190 HG23 THR 30 HG23 THR 30 3.061 44.813 -17.370 191 H GLU 31 HN GLU 31 0.275 41.281 -15.831 192 HA GLU 31 HA GLU 31 -1.028 39.511 -17.792 193 HB2 GLU 31 HB1 GLU 31 1.278 38.870 -17.091 194 HB3 GLU 31 HB2 GLU 31 0.695 38.718 -15.440 195 HG2 GLU 31 HG1 GLU 31 0.834 36.549 -16.481 196 HG3 GLU 31 HG2 GLU 31 -0.848 36.958 -16.152 197 H ARG 32 HN ARG 32 -3.133 39.365 -17.374 198 HA ARG 32 HA ARG 32 -4.248 39.793 -14.783 199 HB2 ARG 32 HB1 ARG 32 -5.343 38.963 -17.448 200 HB3 ARG 32 HB2 ARG 32 -6.347 38.836 -16.010 201 HG2 ARG 32 HG1 ARG 32 -5.816 41.281 -15.599 202 HG3 ARG 32 HG2 ARG 32 -5.165 41.304 -17.239 203 HD2 ARG 32 HD1 ARG 32 -7.205 41.284 -18.170 204 HD3 ARG 32 HD2 ARG 32 -7.810 40.078 -17.035 205 HE ARG 32 HE ARG 32 -7.491 42.686 -15.876 206 HH11 ARG 32 HH11 ARG 32 -9.613 40.603 -17.687 207 HH12 ARG 32 HH12 ARG 32 -11.054 41.436 -17.207 208 HH21 ARG 32 HH21 ARG 32 -9.381 43.791 -15.237 209 HH22 ARG 32 HH22 ARG 32 -10.921 43.250 -15.814 210 H ARG 33 HN ARG 33 -5.341 38.298 -13.456 211 HA ARG 33 HA ARG 33 -4.630 35.477 -13.921 212 HB2 ARG 33 HB1 ARG 33 -4.180 35.179 -11.585 213 HB3 ARG 33 HB2 ARG 33 -3.246 36.562 -12.141 214 HG2 ARG 33 HG1 ARG 33 -4.579 38.082 -11.007 215 HG3 ARG 33 HG2 ARG 33 -5.928 36.952 -10.879 216 HD2 ARG 33 HD1 ARG 33 -5.129 36.029 -8.996 217 HD3 ARG 33 HD2 ARG 33 -3.468 36.029 -9.589 218 HE ARG 33 HE ARG 33 -3.116 37.950 -8.417 219 HH11 ARG 33 HH11 ARG 33 -6.539 37.581 -8.932 220 HH12 ARG 33 HH12 ARG 33 -6.965 38.955 -7.967 221 HH21 ARG 33 HH21 ARG 33 -3.664 39.762 -7.144 222 HH22 ARG 33 HH22 ARG 33 -5.329 40.195 -6.951 223 H HIS 34 HN HIS 34 -6.019 33.939 -12.708 224 HA HIS 34 HA HIS 34 -8.555 34.802 -11.719 225 HB2 HIS 34 HB1 HIS 34 -9.859 33.556 -13.524 226 HB3 HIS 34 HB2 HIS 34 -9.192 35.123 -13.974 227 HD1 HIS 34 HD1 HIS 34 -7.937 35.152 -16.104 228 HD2 HIS 34 HD2 HIS 34 -8.078 31.346 -14.444 229 HE1 HIS 34 HE1 HIS 34 -6.827 33.645 -17.783 230 H HIS 35 HN HIS 35 -9.432 33.273 -10.436 231 HA HIS 35 HA HIS 35 -8.016 30.727 -10.249 232 HB2 HIS 35 HB1 HIS 35 -8.359 32.108 -8.208 233 HB3 HIS 35 HB2 HIS 35 -10.098 31.898 -8.393 234 HD1 HIS 35 HD1 HIS 35 -11.032 30.056 -7.046 235 HD2 HIS 35 HD2 HIS 35 -7.034 29.410 -7.970 236 HE1 HIS 35 HE1 HIS 35 -10.411 27.915 -5.883 237 H CYS 36 HN CYS 36 -8.794 29.001 -11.245 238 HA CYS 36 HA CYS 36 -11.367 28.923 -12.435 239 HB2 CYS 36 HB1 CYS 36 -9.356 27.690 -13.273 240 HB3 CYS 36 HB2 CYS 36 -9.510 26.596 -11.902 241 H ARG 37 HN ARG 37 -13.247 28.533 -11.491 242 HA ARG 37 HA ARG 37 -13.390 27.544 -8.798 243 HB2 ARG 37 HB1 ARG 37 -15.772 27.890 -10.591 244 HB3 ARG 37 HB2 ARG 37 -15.656 28.117 -8.851 245 HG2 ARG 37 HG1 ARG 37 -14.463 29.905 -10.960 246 HG3 ARG 37 HG2 ARG 37 -15.895 30.243 -9.985 247 HD2 ARG 37 HD1 ARG 37 -13.691 29.546 -8.286 248 HD3 ARG 37 HD2 ARG 37 -13.216 30.841 -9.383 249 HE ARG 37 HE ARG 37 -14.709 32.254 -8.333 250 HH11 ARG 37 HH11 ARG 37 -15.147 28.988 -7.210 251 HH12 ARG 37 HH12 ARG 37 -16.173 29.441 -5.890 252 HH21 ARG 37 HH21 ARG 37 -16.060 32.863 -6.598 253 HH22 ARG 37 HH22 ARG 37 -16.692 31.645 -5.543 254 H ASN 38 HN ASN 38 -12.919 25.989 -11.622 255 HA ASN 38 HA ASN 38 -14.671 23.722 -11.041 256 HB2 ASN 38 HB1 ASN 38 -14.313 24.710 -13.395 257 HB3 ASN 38 HB2 ASN 38 -12.748 23.903 -13.351 258 HD21 ASN 38 HD21 ASN 38 -14.160 20.620 -13.402 259 HD22 ASN 38 HD22 ASN 38 -12.896 21.542 -12.668 260 H CYS 39 HN CYS 39 -11.222 24.441 -11.507 261 HA CYS 39 HA CYS 39 -10.573 21.875 -10.225 262 HB2 CYS 39 HB1 CYS 39 -8.582 23.609 -11.661 263 HB3 CYS 39 HB2 CYS 39 -8.518 21.876 -11.357 264 H GLY 40 HN GLY 40 -9.958 25.345 -10.124 265 HA2 GLY 40 HA2 GLY 40 -9.644 26.533 -8.095 266 HA3 GLY 40 HA1 GLY 40 -9.104 25.043 -7.336 267 H GLN 41 HN GLN 41 -7.893 26.052 -10.447 268 HA GLN 41 HA GLN 41 -5.304 26.658 -9.177 269 HB2 GLN 41 HB1 GLN 41 -5.741 25.524 -11.943 270 HB3 GLN 41 HB2 GLN 41 -4.199 25.759 -11.131 271 HG2 GLN 41 HG1 GLN 41 -5.699 24.169 -9.402 272 HG3 GLN 41 HG2 GLN 41 -6.014 23.533 -11.016 273 HE21 GLN 41 HE21 GLN 41 -2.439 23.002 -9.214 274 HE22 GLN 41 HE22 GLN 41 -3.708 23.929 -8.498 275 H LEU 42 HN LEU 42 -4.206 28.464 -9.801 276 HA LEU 42 HA LEU 42 -5.720 30.509 -11.134 277 HB2 LEU 42 HB1 LEU 42 -3.453 30.363 -9.395 278 HB3 LEU 42 HB2 LEU 42 -3.045 31.340 -10.805 279 HG LEU 42 HG LEU 42 -4.878 32.848 -10.336 280 HD11 LEU 42 HD11 LEU 42 -6.390 32.592 -8.551 281 HD12 LEU 42 HD12 LEU 42 -5.459 31.272 -7.844 282 HD13 LEU 42 HD13 LEU 42 -6.337 31.022 -9.353 283 HD21 LEU 42 HD21 LEU 42 -4.099 33.264 -7.768 284 HD22 LEU 42 HD22 LEU 42 -3.197 33.795 -9.188 285 HD23 LEU 42 HD23 LEU 42 -2.764 32.287 -8.380 286 H PHE 43 HN PHE 43 -5.642 31.076 -13.209 287 HA PHE 43 HA PHE 43 -3.361 30.167 -14.831 288 HB2 PHE 43 HB1 PHE 43 -6.285 30.079 -15.601 289 HB3 PHE 43 HB2 PHE 43 -4.950 29.753 -16.701 290 HD1 PHE 43 HD1 PHE 43 -7.206 28.374 -14.328 291 HD2 PHE 43 HD2 PHE 43 -3.368 27.835 -16.087 292 HE1 PHE 43 HE1 PHE 43 -7.226 26.011 -13.642 293 HE2 PHE 43 HE2 PHE 43 -3.382 25.472 -15.405 294 HZ PHE 43 HZ PHE 43 -5.314 24.556 -14.181 295 H CYS 44 HN CYS 44 -2.964 31.426 -16.757 296 HA CYS 44 HA CYS 44 -3.511 34.244 -16.306 297 HB2 CYS 44 HB1 CYS 44 -1.831 34.645 -18.030 298 HB3 CYS 44 HB2 CYS 44 -1.217 33.510 -16.832 299 H GLN 45 HN GLN 45 -4.179 35.651 -18.077 300 HA GLN 45 HA GLN 45 -6.574 34.857 -19.252 301 HB2 GLN 45 HB1 GLN 45 -6.535 36.941 -20.443 302 HB3 GLN 45 HB2 GLN 45 -5.858 37.213 -18.843 303 HG2 GLN 45 HG1 GLN 45 -3.627 37.226 -19.729 304 HG3 GLN 45 HG2 GLN 45 -4.220 36.781 -21.328 305 HE21 GLN 45 HE21 GLN 45 -4.038 40.170 -22.086 306 HE22 GLN 45 HE22 GLN 45 -3.402 38.583 -22.336 307 H LYS 46 HN LYS 46 -3.350 34.302 -20.255 308 HA LYS 46 HA LYS 46 -4.072 33.799 -23.028 309 HB2 LYS 46 HB1 LYS 46 -1.739 34.625 -21.791 310 HB3 LYS 46 HB2 LYS 46 -1.407 32.944 -22.189 311 HG2 LYS 46 HG1 LYS 46 -2.297 35.077 -24.120 312 HG3 LYS 46 HG2 LYS 46 -0.662 34.430 -23.959 313 HD2 LYS 46 HD1 LYS 46 -3.084 32.781 -24.677 314 HD3 LYS 46 HD2 LYS 46 -1.954 33.456 -25.853 315 HE2 LYS 46 HE1 LYS 46 -1.196 31.571 -23.624 316 HE3 LYS 46 HE2 LYS 46 -1.504 31.081 -25.289 317 HZ1 LYS 46 HZ1 LYS 46 0.791 31.313 -25.169 318 HZ2 LYS 46 HZ2 LYS 46 0.713 32.723 -24.237 319 HZ3 LYS 46 HZ3 LYS 46 0.294 32.769 -25.875 320 H CYS 47 HN CYS 47 -3.962 32.112 -20.096 321 HA CYS 47 HA CYS 47 -3.445 29.514 -21.279 322 HB2 CYS 47 HB1 CYS 47 -3.298 30.617 -18.671 323 HB3 CYS 47 HB2 CYS 47 -4.494 29.326 -18.619 324 H SER 48 HN SER 48 -6.155 31.085 -19.580 325 HA SER 48 HA SER 48 -7.961 29.009 -20.556 326 HB2 SER 48 HB1 SER 48 -8.808 31.324 -18.838 327 HB3 SER 48 HB2 SER 48 -9.481 29.696 -18.916 328 HG SER 48 HG SER 48 -7.189 29.152 -18.126 329 H ARG 49 HN ARG 49 -7.423 32.488 -20.793 330 HA ARG 49 HA ARG 49 -8.511 34.101 -22.033 331 HB2 ARG 49 HB1 ARG 49 -8.407 33.519 -24.498 332 HB3 ARG 49 HB2 ARG 49 -6.893 33.393 -23.612 333 HG2 ARG 49 HG1 ARG 49 -7.264 30.951 -23.420 334 HG3 ARG 49 HG2 ARG 49 -8.696 31.129 -24.435 335 HD2 ARG 49 HD1 ARG 49 -6.746 32.436 -25.871 336 HD3 ARG 49 HD2 ARG 49 -5.874 31.076 -25.164 337 HE ARG 49 HE ARG 49 -7.077 29.641 -26.500 338 HH11 ARG 49 HH11 ARG 49 -8.491 32.820 -26.615 339 HH12 ARG 49 HH12 ARG 49 -9.554 32.441 -27.930 340 HH21 ARG 49 HH21 ARG 49 -8.471 29.130 -28.231 341 HH22 ARG 49 HH22 ARG 49 -9.542 30.342 -28.848 342 H PHE 50 HN PHE 50 -10.326 32.149 -20.781 343 HA PHE 50 HA PHE 50 -12.633 32.639 -22.512 344 HB2 PHE 50 HB1 PHE 50 -11.919 29.966 -21.296 345 HB3 PHE 50 HB2 PHE 50 -13.503 30.345 -21.964 346 HD1 PHE 50 HD1 PHE 50 -10.973 28.401 -22.701 347 HD2 PHE 50 HD2 PHE 50 -12.852 31.833 -24.376 348 HE1 PHE 50 HE1 PHE 50 -10.182 27.739 -24.935 349 HE2 PHE 50 HE2 PHE 50 -12.066 31.176 -26.613 350 HZ PHE 50 HZ PHE 50 -10.729 29.127 -26.895 351 H GLN 51 HN GLN 51 -14.718 32.084 -21.263 352 HA GLN 51 HA GLN 51 -14.595 32.235 -18.403 353 HB2 GLN 51 HB1 GLN 51 -14.791 34.681 -19.974 354 HB3 GLN 51 HB2 GLN 51 -16.144 34.488 -18.868 355 HG2 GLN 51 HG1 GLN 51 -14.742 34.452 -16.987 356 HG3 GLN 51 HG2 GLN 51 -13.299 34.197 -17.967 357 HE21 GLN 51 HE21 GLN 51 -14.860 37.928 -17.473 358 HE22 GLN 51 HE22 GLN 51 -15.774 36.516 -17.079 359 H SER 52 HN SER 52 -16.349 31.288 -17.584 360 HA SER 52 HA SER 52 -18.976 31.614 -18.545 361 HB2 SER 52 HB1 SER 52 -17.456 29.752 -20.038 362 HB3 SER 52 HB2 SER 52 -18.569 28.813 -19.044 363 HG SER 52 HG SER 52 -19.084 30.529 -21.148 364 H GLU 53 HN GLU 53 -20.478 29.907 -17.554 365 HA GLU 53 HA GLU 53 -19.845 29.720 -14.772 366 HB2 GLU 53 HB1 GLU 53 -22.076 28.448 -14.723 367 HB3 GLU 53 HB2 GLU 53 -22.106 30.137 -15.209 368 HG2 GLU 53 HG1 GLU 53 -21.755 28.296 -17.440 369 HG3 GLU 53 HG2 GLU 53 -23.263 28.061 -16.559 370 H ILE 54 HN ILE 54 -20.499 27.521 -13.665 371 HA ILE 54 HA ILE 54 -19.287 25.276 -15.116 372 HB ILE 54 HB ILE 54 -18.576 26.007 -12.273 373 HG12 ILE 54 HG11 ILE 54 -16.797 26.080 -14.714 374 HG13 ILE 54 HG12 ILE 54 -17.609 27.501 -14.066 375 HG21 ILE 54 HG21 ILE 54 -18.037 23.660 -14.005 376 HG22 ILE 54 HG22 ILE 54 -16.743 24.210 -12.943 377 HG23 ILE 54 HG23 ILE 54 -18.303 23.746 -12.264 378 HD11 ILE 54 HD11 ILE 54 -16.023 27.789 -12.554 379 HD12 ILE 54 HD12 ILE 54 -16.166 26.121 -11.998 380 HD13 ILE 54 HD13 ILE 54 -15.112 26.510 -13.357 381 H LYS 55 HN LYS 55 -21.461 24.527 -15.326 382 HA LYS 55 HA LYS 55 -23.225 24.096 -13.193 383 HB2 LYS 55 HB1 LYS 55 -23.220 23.639 -15.954 384 HB3 LYS 55 HB2 LYS 55 -23.457 22.052 -15.233 385 HG2 LYS 55 HG1 LYS 55 -25.591 22.525 -14.919 386 HG3 LYS 55 HG2 LYS 55 -25.137 23.859 -13.856 387 HD2 LYS 55 HD1 LYS 55 -25.054 24.238 -16.818 388 HD3 LYS 55 HD2 LYS 55 -26.604 24.301 -15.975 389 HE2 LYS 55 HE1 LYS 55 -25.490 25.976 -14.409 390 HE3 LYS 55 HE2 LYS 55 -24.197 26.064 -15.604 391 HZ1 LYS 55 HZ1 LYS 55 -26.386 27.606 -15.628 392 HZ2 LYS 55 HZ2 LYS 55 -26.864 26.368 -16.677 393 HZ3 LYS 55 HZ3 LYS 55 -25.460 27.254 -16.999 394 H ARG 56 HN ARG 56 -20.379 22.417 -14.145 395 HA ARG 56 HA ARG 56 -20.950 19.878 -13.039 396 HB2 ARG 56 HB1 ARG 56 -19.122 20.223 -14.625 397 HB3 ARG 56 HB2 ARG 56 -18.292 21.253 -13.467 398 HG2 ARG 56 HG1 ARG 56 -18.331 19.200 -11.924 399 HG3 ARG 56 HG2 ARG 56 -18.704 18.291 -13.390 400 HD2 ARG 56 HD1 ARG 56 -16.465 20.174 -13.638 401 HD3 ARG 56 HD2 ARG 56 -16.195 18.851 -12.505 402 HE ARG 56 HE ARG 56 -16.305 18.678 -15.356 403 HH11 ARG 56 HH11 ARG 56 -16.888 16.938 -12.398 404 HH12 ARG 56 HH12 ARG 56 -16.668 15.378 -13.119 405 HH21 ARG 56 HH21 ARG 56 -16.014 16.630 -16.317 406 HH22 ARG 56 HH22 ARG 56 -16.170 15.204 -15.348 407 H LEU 57 HN LEU 57 -19.915 22.894 -11.661 408 HA LEU 57 HA LEU 57 -19.500 21.585 -9.059 409 HB2 LEU 57 HB1 LEU 57 -18.424 24.065 -10.306 410 HB3 LEU 57 HB2 LEU 57 -18.594 24.007 -8.553 411 HG LEU 57 HG LEU 57 -16.349 23.432 -9.069 412 HD11 LEU 57 HD11 LEU 57 -17.601 22.052 -7.365 413 HD12 LEU 57 HD12 LEU 57 -16.136 21.326 -8.026 414 HD13 LEU 57 HD13 LEU 57 -17.718 20.797 -8.600 415 HD21 LEU 57 HD21 LEU 57 -16.446 22.880 -11.366 416 HD22 LEU 57 HD22 LEU 57 -17.553 21.539 -11.074 417 HD23 LEU 57 HD23 LEU 57 -15.876 21.432 -10.537 418 H LYS 58 HN LYS 58 -22.046 22.497 -10.493 419 HA LYS 58 HA LYS 58 -24.095 23.231 -9.814 420 HB2 LYS 58 HB1 LYS 58 -22.920 23.868 -7.115 421 HB3 LYS 58 HB2 LYS 58 -24.585 23.459 -7.510 422 HG2 LYS 58 HG1 LYS 58 -24.126 21.373 -6.930 423 HG3 LYS 58 HG2 LYS 58 -23.083 21.266 -8.351 424 HD2 LYS 58 HD1 LYS 58 -21.178 21.489 -7.134 425 HD3 LYS 58 HD2 LYS 58 -21.933 22.554 -5.946 426 HE2 LYS 58 HE1 LYS 58 -22.478 20.848 -4.596 427 HE3 LYS 58 HE2 LYS 58 -22.997 19.831 -5.939 428 HZ1 LYS 58 HZ1 LYS 58 -20.810 19.113 -6.317 429 HZ2 LYS 58 HZ2 LYS 58 -21.007 19.042 -4.638 430 HZ3 LYS 58 HZ3 LYS 58 -20.140 20.317 -5.335 431 H ILE 59 HN ILE 59 -21.912 24.996 -10.828 432 HA ILE 59 HA ILE 59 -22.756 27.573 -9.699 433 HB ILE 59 HB ILE 59 -20.431 26.985 -11.535 434 HG12 ILE 59 HG11 ILE 59 -20.494 27.540 -8.561 435 HG13 ILE 59 HG12 ILE 59 -20.129 25.990 -9.311 436 HG21 ILE 59 HG21 ILE 59 -20.248 29.434 -10.049 437 HG22 ILE 59 HG22 ILE 59 -20.190 29.176 -11.792 438 HG23 ILE 59 HG23 ILE 59 -21.742 29.397 -10.985 439 HD11 ILE 59 HD11 ILE 59 -18.480 28.471 -9.194 440 HD12 ILE 59 HD12 ILE 59 -18.040 26.807 -8.811 441 HD13 ILE 59 HD13 ILE 59 -18.233 27.303 -10.492 442 H SER 60 HN SER 60 -24.514 28.311 -10.717 443 HA SER 60 HA SER 60 -24.926 27.825 -13.543 444 HB2 SER 60 HB1 SER 60 -26.788 29.693 -12.309 445 HB3 SER 60 HB2 SER 60 -27.103 28.135 -13.073 446 HG SER 60 HG SER 60 -26.902 28.763 -10.434 447 H SER 61 HN SER 61 -23.635 30.289 -11.538 448 HA SER 61 HA SER 61 -24.008 32.406 -13.483 449 HB2 SER 61 HB1 SER 61 -22.351 33.541 -11.730 450 HB3 SER 61 HB2 SER 61 -24.075 33.368 -11.398 451 HG SER 61 HG SER 61 -23.669 31.774 -10.006 452 HA PRO 62 HA PRO 62 -20.255 31.845 -15.694 453 HB2 PRO 62 HB1 PRO 62 -19.719 34.410 -16.405 454 HB3 PRO 62 HB2 PRO 62 -21.019 33.462 -17.136 455 HG2 PRO 62 HG1 PRO 62 -21.163 35.517 -14.965 456 HG3 PRO 62 HG2 PRO 62 -22.234 35.286 -16.359 457 HD2 PRO 62 HD1 PRO 62 -22.871 34.421 -13.873 458 HD3 PRO 62 HD2 PRO 62 -23.395 33.573 -15.342 459 H VAL 63 HN VAL 63 -18.257 31.482 -14.978 460 HA VAL 63 HA VAL 63 -16.919 33.502 -13.335 461 HB VAL 63 HB VAL 63 -16.070 31.787 -11.784 462 HG11 VAL 63 HG11 VAL 63 -18.970 31.382 -11.516 463 HG12 VAL 63 HG12 VAL 63 -17.809 32.074 -10.382 464 HG13 VAL 63 HG13 VAL 63 -18.458 33.060 -11.692 465 HG21 VAL 63 HG21 VAL 63 -16.993 29.566 -11.727 466 HG22 VAL 63 HG22 VAL 63 -18.078 29.937 -13.067 467 HG23 VAL 63 HG23 VAL 63 -16.336 29.867 -13.336 468 H ARG 64 HN ARG 64 -14.556 32.532 -12.861 469 HA ARG 64 HA ARG 64 -13.323 32.354 -15.426 470 HB2 ARG 64 HB1 ARG 64 -11.923 31.787 -12.827 471 HB3 ARG 64 HB2 ARG 64 -11.269 32.504 -14.293 472 HG2 ARG 64 HG1 ARG 64 -13.221 33.794 -12.399 473 HG3 ARG 64 HG2 ARG 64 -11.504 34.172 -12.557 474 HD2 ARG 64 HD1 ARG 64 -11.841 34.957 -14.813 475 HD3 ARG 64 HD2 ARG 64 -13.531 34.457 -14.770 476 HE ARG 64 HE ARG 64 -13.408 36.180 -12.720 477 HH11 ARG 64 HH11 ARG 64 -12.297 36.399 -16.012 478 HH12 ARG 64 HH12 ARG 64 -12.508 38.116 -16.107 479 HH21 ARG 64 HH21 ARG 64 -13.690 38.441 -12.832 480 HH22 ARG 64 HH22 ARG 64 -13.300 39.276 -14.297 481 H VAL 65 HN VAL 65 -12.597 30.626 -16.523 482 HA VAL 65 HA VAL 65 -12.292 28.056 -15.192 483 HB VAL 65 HB VAL 65 -13.710 26.844 -16.731 484 HG11 VAL 65 HG11 VAL 65 -14.633 27.967 -14.626 485 HG12 VAL 65 HG12 VAL 65 -15.394 29.117 -15.727 486 HG13 VAL 65 HG13 VAL 65 -15.794 27.401 -15.826 487 HG21 VAL 65 HG21 VAL 65 -13.510 28.162 -18.716 488 HG22 VAL 65 HG22 VAL 65 -15.217 28.100 -18.280 489 HG23 VAL 65 HG23 VAL 65 -14.272 29.549 -17.937 490 H CYS 66 HN CYS 66 -10.702 26.847 -16.064 491 HA CYS 66 HA CYS 66 -8.989 27.998 -18.010 492 HB2 CYS 66 HB1 CYS 66 -7.723 25.882 -17.828 493 HB3 CYS 66 HB2 CYS 66 -8.105 26.566 -16.252 494 H GLN 67 HN GLN 67 -8.371 27.074 -20.059 495 HA GLN 67 HA GLN 67 -10.439 26.679 -21.829 496 HB2 GLN 67 HB1 GLN 67 -8.342 27.255 -22.736 497 HB3 GLN 67 HB2 GLN 67 -7.537 25.900 -21.955 498 HG2 GLN 67 HG1 GLN 67 -8.684 24.347 -23.433 499 HG3 GLN 67 HG2 GLN 67 -9.530 25.690 -24.200 500 HE21 GLN 67 HE21 GLN 67 -6.466 26.933 -25.710 501 HE22 GLN 67 HE22 GLN 67 -7.762 27.522 -24.731 502 H ASN 68 HN ASN 68 -8.445 24.200 -20.248 503 HA ASN 68 HA ASN 68 -9.486 21.941 -21.454 504 HB2 ASN 68 HB1 ASN 68 -7.800 22.496 -19.269 505 HB3 ASN 68 HB2 ASN 68 -9.065 21.442 -18.645 506 HD21 ASN 68 HD21 ASN 68 -8.223 18.828 -21.042 507 HD22 ASN 68 HD22 ASN 68 -9.615 19.732 -20.562 508 H CYS 69 HN CYS 69 -10.865 23.962 -18.964 509 HA CYS 69 HA CYS 69 -13.020 22.093 -18.420 510 HB2 CYS 69 HB1 CYS 69 -12.173 24.742 -17.309 511 HB3 CYS 69 HB2 CYS 69 -13.821 24.183 -17.041 512 H TYR 70 HN TYR 70 -12.721 25.404 -19.701 513 HA TYR 70 HA TYR 70 -15.334 25.913 -20.349 514 HB2 TYR 70 HB1 TYR 70 -13.434 27.507 -20.611 515 HB3 TYR 70 HB2 TYR 70 -12.955 26.644 -22.068 516 HD1 TYR 70 HD1 TYR 70 -15.425 28.908 -20.587 517 HD2 TYR 70 HD2 TYR 70 -14.240 26.848 -24.116 518 HE1 TYR 70 HE1 TYR 70 -16.946 30.315 -21.911 519 HE2 TYR 70 HE2 TYR 70 -15.757 28.250 -25.451 520 HH TYR 70 HH TYR 70 -16.962 30.220 -25.404 521 H TYR 71 HN TYR 71 -12.928 24.300 -22.418 522 HA TYR 71 HA TYR 71 -14.481 23.839 -24.648 523 HB2 TYR 71 HB1 TYR 71 -12.034 22.758 -23.531 524 HB3 TYR 71 HB2 TYR 71 -12.955 21.514 -24.368 525 HD1 TYR 71 HD1 TYR 71 -10.592 24.093 -24.754 526 HD2 TYR 71 HD2 TYR 71 -13.836 22.198 -26.753 527 HE1 TYR 71 HE1 TYR 71 -9.742 24.922 -26.908 528 HE2 TYR 71 HE2 TYR 71 -12.994 23.021 -28.912 529 HH TYR 71 HH TYR 71 -11.428 25.171 -29.577 530 H ASN 72 HN ASN 72 -14.424 22.094 -21.601 531 HA ASN 72 HA ASN 72 -16.224 20.042 -22.564 532 HB2 ASN 72 HB1 ASN 72 -14.334 19.871 -20.733 533 HB3 ASN 72 HB2 ASN 72 -15.613 20.432 -19.661 534 HD21 ASN 72 HD21 ASN 72 -16.555 17.144 -19.194 535 HD22 ASN 72 HD22 ASN 72 -16.034 18.646 -18.518 536 H LEU 73 HN LEU 73 -16.409 23.077 -20.914 537 HA LEU 73 HA LEU 73 -18.992 22.696 -19.761 538 HB2 LEU 73 HB1 LEU 73 -17.358 25.153 -20.350 539 HB3 LEU 73 HB2 LEU 73 -18.940 25.213 -19.575 540 HG LEU 73 HG LEU 73 -16.495 23.830 -18.471 541 HD11 LEU 73 HD11 LEU 73 -17.127 25.769 -16.704 542 HD12 LEU 73 HD12 LEU 73 -17.565 26.558 -18.219 543 HD13 LEU 73 HD13 LEU 73 -15.926 25.950 -17.984 544 HD21 LEU 73 HD21 LEU 73 -19.224 24.283 -17.269 545 HD22 LEU 73 HD22 LEU 73 -17.835 23.575 -16.443 546 HD23 LEU 73 HD23 LEU 73 -18.572 22.735 -17.809 547 H GLN 74 HN GLN 74 -17.804 23.749 -22.859 548 HA GLN 74 HA GLN 74 -20.366 24.797 -23.704 549 HB2 GLN 74 HB1 GLN 74 -17.884 24.272 -25.347 550 HB3 GLN 74 HB2 GLN 74 -19.272 25.239 -25.828 551 HG2 GLN 74 HG1 GLN 74 -18.148 26.159 -23.330 552 HG3 GLN 74 HG2 GLN 74 -16.950 26.141 -24.623 553 HE21 GLN 74 HE21 GLN 74 -19.999 28.813 -24.621 554 HE22 GLN 74 HE22 GLN 74 -19.924 27.514 -23.485 555 H HIS 75 HN HIS 75 -18.637 21.808 -23.824 556 HA HIS 75 HA HIS 75 -19.944 20.627 -26.034 557 HB2 HIS 75 HB1 HIS 75 -17.834 19.883 -24.602 558 HB3 HIS 75 HB2 HIS 75 -19.047 18.940 -23.741 559 HD1 HIS 75 HD1 HIS 75 -18.911 16.620 -24.568 560 HD2 HIS 75 HD2 HIS 75 -18.506 19.377 -27.649 561 HE1 HIS 75 HE1 HIS 75 -18.741 15.255 -26.673 562 H GLU 76 HN GLU 76 -20.884 21.157 -22.746 563 HA GLU 76 HA GLU 76 -22.965 19.184 -22.698 564 HB2 GLU 76 HB1 GLU 76 -23.523 20.033 -20.558 565 HB3 GLU 76 HB2 GLU 76 -21.771 20.128 -20.673 566 HG2 GLU 76 HG1 GLU 76 -22.011 22.221 -19.965 567 HG3 GLU 76 HG2 GLU 76 -22.543 22.576 -21.607 568 H ARG 77 HN ARG 77 -22.666 22.445 -23.791 569 HA ARG 77 HA ARG 77 -25.457 23.077 -23.733 570 HB2 ARG 77 HB1 ARG 77 -22.974 24.368 -24.650 571 HB3 ARG 77 HB2 ARG 77 -24.406 24.784 -25.582 572 HG2 ARG 77 HG1 ARG 77 -25.535 25.520 -23.563 573 HG3 ARG 77 HG2 ARG 77 -24.135 25.052 -22.595 574 HD2 ARG 77 HD1 ARG 77 -23.285 27.077 -22.922 575 HD3 ARG 77 HD2 ARG 77 -23.161 26.711 -24.642 576 HE ARG 77 HE ARG 77 -25.767 27.615 -23.823 577 HH11 ARG 77 HH11 ARG 77 -22.599 28.576 -24.899 578 HH12 ARG 77 HH12 ARG 77 -23.130 30.103 -25.522 579 HH21 ARG 77 HH21 ARG 77 -26.479 29.622 -24.640 580 HH22 ARG 77 HH22 ARG 77 -25.338 30.697 -25.373 581 H GLY 78 HN GLY 78 -23.246 21.675 -26.068 582 HA2 GLY 78 HA2 GLY 78 -24.743 21.926 -28.400 583 HA3 GLY 78 HA1 GLY 78 -23.624 20.613 -28.066 Start of MODEL 19 1 H1 SER 1 HN SER 1 -5.731 7.771 -32.680 2 HA SER 1 HA SER 1 -7.055 7.699 -30.190 3 HB2 SER 1 HB1 SER 1 -4.629 6.642 -29.287 4 HB3 SER 1 HB2 SER 1 -6.197 5.836 -29.279 5 HG SER 1 HG SER 1 -4.014 5.311 -30.778 6 H ASN 2 HN ASN 2 -3.659 7.860 -31.281 7 HA ASN 2 HA ASN 2 -2.087 9.495 -31.126 8 HB2 ASN 2 HB1 ASN 2 -4.470 11.356 -30.968 9 HB3 ASN 2 HB2 ASN 2 -2.818 11.813 -31.374 10 HD21 ASN 2 HD21 ASN 2 -5.164 11.084 -34.336 11 HD22 ASN 2 HD22 ASN 2 -5.530 11.776 -32.796 12 H ALA 3 HN ALA 3 -1.678 11.699 -29.716 13 HA ALA 3 HA ALA 3 -2.711 11.771 -27.098 14 HB1 ALA 3 HB1 ALA 3 -0.183 10.982 -26.316 15 HB2 ALA 3 HB2 ALA 3 -1.665 10.037 -26.166 16 HB3 ALA 3 HB3 ALA 3 -0.616 9.816 -27.566 17 H GLY 4 HN GLY 4 -0.885 12.887 -25.592 18 HA2 GLY 4 HA2 GLY 4 0.759 14.735 -27.129 19 HA3 GLY 4 HA1 GLY 4 -0.580 15.453 -26.245 20 H ARG 5 HN ARG 5 1.646 16.484 -25.487 21 HA ARG 5 HA ARG 5 2.138 15.318 -22.860 22 HB2 ARG 5 HB1 ARG 5 4.070 15.337 -25.041 23 HB3 ARG 5 HB2 ARG 5 4.670 16.169 -23.613 24 HG2 ARG 5 HG1 ARG 5 3.458 13.434 -23.438 25 HG3 ARG 5 HG2 ARG 5 5.159 13.676 -23.841 26 HD2 ARG 5 HD1 ARG 5 5.035 15.238 -21.691 27 HD3 ARG 5 HD2 ARG 5 3.720 14.134 -21.287 28 HE ARG 5 HE ARG 5 6.536 13.544 -21.318 29 HH11 ARG 5 HH11 ARG 5 3.323 12.219 -21.525 30 HH12 ARG 5 HH12 ARG 5 3.800 10.639 -20.998 31 HH21 ARG 5 HH21 ARG 5 7.176 11.468 -20.623 32 HH22 ARG 5 HH22 ARG 5 5.992 10.213 -20.485 33 H SER 6 HN SER 6 3.808 16.904 -21.693 34 HA SER 6 HA SER 6 2.813 19.635 -22.182 35 HB2 SER 6 HB1 SER 6 3.498 18.260 -19.577 36 HB3 SER 6 HB2 SER 6 3.194 19.992 -19.715 37 HG SER 6 HG SER 6 1.107 19.595 -20.237 38 H ALA 7 HN ALA 7 5.422 18.315 -20.160 39 HA ALA 7 HA ALA 7 7.400 19.734 -21.779 40 HB1 ALA 7 HB1 ALA 7 7.928 21.285 -20.269 41 HB2 ALA 7 HB2 ALA 7 6.415 20.870 -19.463 42 HB3 ALA 7 HB3 ALA 7 7.924 20.114 -18.950 43 H ALA 8 HN ALA 8 9.066 18.440 -22.165 44 HA ALA 8 HA ALA 8 9.351 15.861 -21.246 45 HB1 ALA 8 HB1 ALA 8 11.713 17.549 -22.022 46 HB2 ALA 8 HB2 ALA 8 11.464 15.821 -22.275 47 HB3 ALA 8 HB3 ALA 8 10.523 16.992 -23.199 48 H ASP 9 HN ASP 9 10.313 18.823 -19.718 49 HA ASP 9 HA ASP 9 11.582 17.275 -17.554 50 HB2 ASP 9 HB1 ASP 9 12.806 19.197 -19.019 51 HB3 ASP 9 HB2 ASP 9 12.134 20.176 -17.719 52 H HIS 10 HN HIS 10 11.676 19.371 -15.686 53 HA HIS 10 HA HIS 10 10.453 20.395 -14.061 54 HB2 HIS 10 HB1 HIS 10 9.391 21.416 -16.258 55 HB3 HIS 10 HB2 HIS 10 8.000 20.455 -15.767 56 HD1 HIS 10 HD1 HIS 10 6.483 22.333 -15.046 57 HD2 HIS 10 HD2 HIS 10 10.211 22.482 -13.220 58 HE1 HIS 10 HE1 HIS 10 6.292 24.104 -13.271 59 H TRP 11 HN TRP 11 10.443 18.574 -12.737 60 HA TRP 11 HA TRP 11 8.140 16.774 -12.943 61 HB2 TRP 11 HB1 TRP 11 10.800 16.260 -12.441 62 HB3 TRP 11 HB2 TRP 11 10.090 16.215 -10.829 63 HD1 TRP 11 HD1 TRP 11 7.443 14.743 -11.192 64 HE1 TRP 11 HE1 TRP 11 7.331 12.306 -12.013 65 HE3 TRP 11 HE3 TRP 11 11.991 14.458 -13.510 66 HZ2 TRP 11 HZ2 TRP 11 8.957 10.501 -13.451 67 HZ3 TRP 11 HZ3 TRP 11 12.637 12.340 -14.583 68 HH2 TRP 11 HH2 TRP 11 11.150 10.404 -14.553 69 H VAL 12 HN VAL 12 7.956 19.542 -11.958 70 HA VAL 12 HA VAL 12 6.676 18.928 -9.400 71 HB VAL 12 HB VAL 12 8.244 21.470 -9.610 72 HG11 VAL 12 HG11 VAL 12 8.086 21.509 -7.273 73 HG12 VAL 12 HG12 VAL 12 6.506 20.935 -7.812 74 HG13 VAL 12 HG13 VAL 12 7.694 19.793 -7.182 75 HG21 VAL 12 HG21 VAL 12 9.890 19.783 -10.105 76 HG22 VAL 12 HG22 VAL 12 10.124 20.341 -8.448 77 HG23 VAL 12 HG23 VAL 12 9.337 18.793 -8.754 78 H LYS 13 HN LYS 13 4.735 19.865 -9.189 79 HA LYS 13 HA LYS 13 4.097 22.293 -10.659 80 HB2 LYS 13 HB1 LYS 13 3.230 19.657 -11.494 81 HB3 LYS 13 HB2 LYS 13 1.854 20.683 -11.111 82 HG2 LYS 13 HG1 LYS 13 2.121 21.911 -12.949 83 HG3 LYS 13 HG2 LYS 13 3.867 22.038 -12.718 84 HD2 LYS 13 HD1 LYS 13 3.357 20.874 -14.795 85 HD3 LYS 13 HD2 LYS 13 4.145 19.785 -13.650 86 HE2 LYS 13 HE1 LYS 13 1.936 18.891 -13.024 87 HE3 LYS 13 HE2 LYS 13 1.186 19.945 -14.221 88 HZ1 LYS 13 HZ1 LYS 13 3.051 18.670 -15.677 89 HZ2 LYS 13 HZ2 LYS 13 1.433 18.192 -15.565 90 HZ3 LYS 13 HZ3 LYS 13 2.602 17.457 -14.587 91 H ASP 14 HN ASP 14 3.735 23.383 -8.768 92 HA ASP 14 HA ASP 14 1.241 22.787 -7.418 93 HB2 ASP 14 HB1 ASP 14 3.786 22.103 -6.250 94 HB3 ASP 14 HB2 ASP 14 2.996 23.349 -5.287 95 H GLU 15 HN GLU 15 2.593 24.903 -9.097 96 HA GLU 15 HA GLU 15 3.007 27.192 -7.482 97 HB2 GLU 15 HB1 GLU 15 2.698 28.439 -9.654 98 HB3 GLU 15 HB2 GLU 15 3.946 27.201 -9.666 99 HG2 GLU 15 HG1 GLU 15 1.457 26.055 -10.480 100 HG3 GLU 15 HG2 GLU 15 1.785 27.502 -11.431 101 H GLY 16 HN GLY 16 1.308 27.473 -6.057 102 HA2 GLY 16 HA2 GLY 16 -1.184 28.436 -7.303 103 HA3 GLY 16 HA1 GLY 16 -1.250 27.298 -5.965 104 H GLY 17 HN GLY 17 -0.692 30.589 -6.914 105 HA2 GLY 17 HA2 GLY 17 -1.437 31.626 -4.409 106 HA3 GLY 17 HA1 GLY 17 0.318 31.624 -4.510 107 H ASP 18 HN ASP 18 0.978 32.408 -6.917 108 HA ASP 18 HA ASP 18 -0.634 34.602 -7.863 109 HB2 ASP 18 HB1 ASP 18 1.914 35.075 -6.330 110 HB3 ASP 18 HB2 ASP 18 1.329 36.231 -7.524 111 H SER 19 HN SER 19 0.156 32.334 -9.174 112 HA SER 19 HA SER 19 1.601 33.442 -11.394 113 HB2 SER 19 HB1 SER 19 2.825 31.007 -10.095 114 HB3 SER 19 HB2 SER 19 3.482 31.981 -11.410 115 HG SER 19 HG SER 19 3.539 32.412 -8.684 116 H CYS 20 HN CYS 20 1.030 32.479 -13.271 117 HA CYS 20 HA CYS 20 -1.206 30.882 -13.458 118 HB2 CYS 20 HB1 CYS 20 -0.203 32.188 -15.326 119 HB3 CYS 20 HB2 CYS 20 1.064 30.973 -15.455 120 H SER 21 HN SER 21 -1.524 28.677 -14.041 121 HA SER 21 HA SER 21 0.481 26.911 -12.842 122 HB2 SER 21 HB1 SER 21 -2.238 27.024 -12.496 123 HB3 SER 21 HB2 SER 21 -2.074 25.717 -13.668 124 HG SER 21 HG SER 21 -1.049 24.523 -12.224 125 H GLY 22 HN GLY 22 -1.160 27.589 -15.849 126 HA2 GLY 22 HA2 GLY 22 0.037 25.241 -17.125 127 HA3 GLY 22 HA1 GLY 22 -1.161 26.309 -17.840 128 H CYS 23 HN CYS 23 1.006 28.313 -16.447 129 HA CYS 23 HA CYS 23 2.863 28.303 -18.719 130 HB2 CYS 23 HB1 CYS 23 1.269 30.681 -17.747 131 HB3 CYS 23 HB2 CYS 23 2.647 30.802 -18.837 132 H SER 24 HN SER 24 2.121 29.168 -15.426 133 HA SER 24 HA SER 24 3.488 29.424 -13.613 134 HB2 SER 24 HB1 SER 24 5.987 29.251 -15.236 135 HB3 SER 24 HB2 SER 24 5.632 28.578 -13.646 136 HG SER 24 HG SER 24 4.030 27.267 -15.054 137 H VAL 25 HN VAL 25 3.089 31.441 -16.065 138 HA VAL 25 HA VAL 25 5.116 33.398 -15.683 139 HB VAL 25 HB VAL 25 3.922 33.427 -17.751 140 HG11 VAL 25 HG11 VAL 25 1.571 33.247 -15.998 141 HG12 VAL 25 HG12 VAL 25 1.382 34.304 -17.398 142 HG13 VAL 25 HG13 VAL 25 1.829 32.612 -17.623 143 HG21 VAL 25 HG21 VAL 25 2.638 35.830 -17.155 144 HG22 VAL 25 HG22 VAL 25 3.958 35.713 -15.991 145 HG23 VAL 25 HG23 VAL 25 4.296 35.621 -17.720 146 H ARG 26 HN ARG 26 5.360 34.784 -14.066 147 HA ARG 26 HA ARG 26 3.599 34.916 -11.873 148 HB2 ARG 26 HB1 ARG 26 5.626 37.038 -12.549 149 HB3 ARG 26 HB2 ARG 26 5.072 36.527 -10.960 150 HG2 ARG 26 HG1 ARG 26 6.835 34.993 -12.855 151 HG3 ARG 26 HG2 ARG 26 7.283 35.696 -11.299 152 HD2 ARG 26 HD1 ARG 26 5.098 34.052 -10.753 153 HD3 ARG 26 HD2 ARG 26 6.085 33.136 -11.891 154 HE ARG 26 HE ARG 26 7.575 34.300 -9.723 155 HH11 ARG 26 HH11 ARG 26 5.716 31.554 -10.784 156 HH12 ARG 26 HH12 ARG 26 6.448 30.459 -9.659 157 HH21 ARG 26 HH21 ARG 26 8.547 32.867 -8.237 158 HH22 ARG 26 HH22 ARG 26 8.058 31.207 -8.210 159 H PHE 27 HN PHE 27 1.665 35.833 -11.829 160 HA PHE 27 HA PHE 27 0.575 37.495 -13.751 161 HB2 PHE 27 HB1 PHE 27 -0.162 37.364 -10.819 162 HB3 PHE 27 HB2 PHE 27 -1.177 38.011 -12.104 163 HD1 PHE 27 HD1 PHE 27 -1.525 36.302 -14.128 164 HD2 PHE 27 HD2 PHE 27 -0.589 35.229 -10.117 165 HE1 PHE 27 HE1 PHE 27 -2.471 34.064 -14.509 166 HE2 PHE 27 HE2 PHE 27 -1.533 32.988 -10.492 167 HZ PHE 27 HZ PHE 27 -2.475 32.403 -12.691 168 H SER 28 HN SER 28 0.477 39.654 -14.100 169 HA SER 28 HA SER 28 1.408 41.540 -12.117 170 HB2 SER 28 HB1 SER 28 3.138 42.518 -13.620 171 HB3 SER 28 HB2 SER 28 3.536 40.884 -13.088 172 HG SER 28 HG SER 28 3.139 40.120 -15.073 173 H LEU 29 HN LEU 29 1.757 43.761 -13.660 174 HA LEU 29 HA LEU 29 -0.870 44.552 -14.225 175 HB2 LEU 29 HB1 LEU 29 1.571 45.865 -15.383 176 HB3 LEU 29 HB2 LEU 29 0.034 46.608 -14.946 177 HG LEU 29 HG LEU 29 0.878 45.668 -12.535 178 HD11 LEU 29 HD11 LEU 29 3.246 46.057 -14.266 179 HD12 LEU 29 HD12 LEU 29 3.017 45.002 -12.871 180 HD13 LEU 29 HD13 LEU 29 3.322 46.723 -12.634 181 HD21 LEU 29 HD21 LEU 29 1.655 48.050 -12.174 182 HD22 LEU 29 HD22 LEU 29 0.010 47.849 -12.780 183 HD23 LEU 29 HD23 LEU 29 1.305 48.323 -13.882 184 H THR 30 HN THR 30 1.362 42.792 -16.099 185 HA THR 30 HA THR 30 -0.116 43.373 -18.576 186 HB THR 30 HB THR 30 2.027 43.650 -19.277 187 HG1 THR 30 HG1 THR 30 2.162 40.818 -19.277 188 HG21 THR 30 HG21 THR 30 3.028 43.377 -17.069 189 HG22 THR 30 HG22 THR 30 3.989 42.542 -18.290 190 HG23 THR 30 HG23 THR 30 2.926 41.624 -17.225 191 H GLU 31 HN GLU 31 0.254 41.065 -16.137 192 HA GLU 31 HA GLU 31 -1.036 39.027 -17.829 193 HB2 GLU 31 HB1 GLU 31 1.355 38.501 -17.163 194 HB3 GLU 31 HB2 GLU 31 0.783 38.408 -15.503 195 HG2 GLU 31 HG1 GLU 31 -0.970 36.760 -16.744 196 HG3 GLU 31 HG2 GLU 31 0.479 36.512 -17.717 197 H ARG 32 HN ARG 32 -3.103 38.977 -17.235 198 HA ARG 32 HA ARG 32 -3.981 39.697 -14.607 199 HB2 ARG 32 HB1 ARG 32 -5.240 38.946 -17.170 200 HB3 ARG 32 HB2 ARG 32 -6.160 38.528 -15.730 201 HG2 ARG 32 HG1 ARG 32 -5.135 41.221 -15.569 202 HG3 ARG 32 HG2 ARG 32 -6.101 40.980 -17.026 203 HD2 ARG 32 HD1 ARG 32 -8.019 40.551 -15.850 204 HD3 ARG 32 HD2 ARG 32 -7.147 39.930 -14.449 205 HE ARG 32 HE ARG 32 -6.623 42.680 -14.739 206 HH11 ARG 32 HH11 ARG 32 -9.182 40.497 -13.842 207 HH12 ARG 32 HH12 ARG 32 -9.960 41.634 -12.791 208 HH21 ARG 32 HH21 ARG 32 -7.637 44.185 -13.358 209 HH22 ARG 32 HH22 ARG 32 -9.081 43.732 -12.517 210 H ARG 33 HN ARG 33 -5.284 38.300 -13.220 211 HA ARG 33 HA ARG 33 -4.508 35.464 -13.405 212 HB2 ARG 33 HB1 ARG 33 -4.114 35.364 -11.058 213 HB3 ARG 33 HB2 ARG 33 -3.228 36.757 -11.664 214 HG2 ARG 33 HG1 ARG 33 -4.572 38.257 -10.592 215 HG3 ARG 33 HG2 ARG 33 -5.976 37.188 -10.624 216 HD2 ARG 33 HD1 ARG 33 -5.067 35.839 -8.866 217 HD3 ARG 33 HD2 ARG 33 -3.533 36.706 -8.928 218 HE ARG 33 HE ARG 33 -5.322 38.654 -8.363 219 HH11 ARG 33 HH11 ARG 33 -4.634 35.550 -6.945 220 HH12 ARG 33 HH12 ARG 33 -5.108 36.028 -5.349 221 HH21 ARG 33 HH21 ARG 33 -5.949 39.296 -6.266 222 HH22 ARG 33 HH22 ARG 33 -5.856 38.159 -4.964 223 H HIS 34 HN HIS 34 -5.973 33.957 -12.451 224 HA HIS 34 HA HIS 34 -8.493 34.777 -11.395 225 HB2 HIS 34 HB1 HIS 34 -9.933 34.067 -13.194 226 HB3 HIS 34 HB2 HIS 34 -8.810 35.269 -13.823 227 HD1 HIS 34 HD1 HIS 34 -6.999 34.441 -15.491 228 HD2 HIS 34 HD2 HIS 34 -9.688 31.513 -14.282 229 HE1 HIS 34 HE1 HIS 34 -6.669 32.525 -17.086 230 H HIS 35 HN HIS 35 -9.105 33.228 -10.042 231 HA HIS 35 HA HIS 35 -7.856 30.614 -10.202 232 HB2 HIS 35 HB1 HIS 35 -9.039 32.254 -8.124 233 HB3 HIS 35 HB2 HIS 35 -9.662 30.608 -8.067 234 HD1 HIS 35 HD1 HIS 35 -7.256 28.931 -8.651 235 HD2 HIS 35 HD2 HIS 35 -7.075 32.333 -6.274 236 HE1 HIS 35 HE1 HIS 35 -5.212 28.640 -7.215 237 H CYS 36 HN CYS 36 -8.746 29.106 -11.441 238 HA CYS 36 HA CYS 36 -11.315 29.149 -12.508 239 HB2 CYS 36 HB1 CYS 36 -9.418 27.774 -13.361 240 HB3 CYS 36 HB2 CYS 36 -9.627 26.694 -11.986 241 H ARG 37 HN ARG 37 -13.256 28.746 -11.688 242 HA ARG 37 HA ARG 37 -13.527 27.863 -8.964 243 HB2 ARG 37 HB1 ARG 37 -15.853 28.165 -10.825 244 HB3 ARG 37 HB2 ARG 37 -15.747 28.530 -9.108 245 HG2 ARG 37 HG1 ARG 37 -14.501 30.112 -11.346 246 HG3 ARG 37 HG2 ARG 37 -15.921 30.565 -10.401 247 HD2 ARG 37 HD1 ARG 37 -13.496 29.934 -8.851 248 HD3 ARG 37 HD2 ARG 37 -13.410 31.386 -9.848 249 HE ARG 37 HE ARG 37 -15.814 31.339 -8.351 250 HH11 ARG 37 HH11 ARG 37 -12.391 31.892 -8.043 251 HH12 ARG 37 HH12 ARG 37 -12.553 32.960 -6.689 252 HH21 ARG 37 HH21 ARG 37 -16.041 32.744 -6.568 253 HH22 ARG 37 HH22 ARG 37 -14.630 33.443 -5.850 254 H ASN 38 HN ASN 38 -12.878 26.167 -11.619 255 HA ASN 38 HA ASN 38 -14.754 23.980 -11.102 256 HB2 ASN 38 HB1 ASN 38 -14.135 24.879 -13.461 257 HB3 ASN 38 HB2 ASN 38 -12.652 23.953 -13.249 258 HD21 ASN 38 HD21 ASN 38 -15.406 21.992 -14.930 259 HD22 ASN 38 HD22 ASN 38 -14.821 23.601 -15.161 260 H CYS 39 HN CYS 39 -11.301 24.717 -11.104 261 HA CYS 39 HA CYS 39 -10.835 22.191 -9.657 262 HB2 CYS 39 HB1 CYS 39 -8.365 22.812 -10.568 263 HB3 CYS 39 HB2 CYS 39 -9.490 21.771 -11.434 264 H GLY 40 HN GLY 40 -10.050 25.615 -9.915 265 HA2 GLY 40 HA2 GLY 40 -9.796 26.974 -7.966 266 HA3 GLY 40 HA1 GLY 40 -9.233 25.557 -7.092 267 H GLN 41 HN GLN 41 -8.014 26.186 -10.273 268 HA GLN 41 HA GLN 41 -5.398 26.801 -9.091 269 HB2 GLN 41 HB1 GLN 41 -5.946 25.945 -11.931 270 HB3 GLN 41 HB2 GLN 41 -4.402 25.952 -11.089 271 HG2 GLN 41 HG1 GLN 41 -5.992 24.331 -9.521 272 HG3 GLN 41 HG2 GLN 41 -6.467 23.924 -11.169 273 HE21 GLN 41 HE21 GLN 41 -3.810 21.730 -11.359 274 HE22 GLN 41 HE22 GLN 41 -5.503 22.034 -11.524 275 H LEU 42 HN LEU 42 -4.048 28.405 -10.091 276 HA LEU 42 HA LEU 42 -5.614 30.657 -11.100 277 HB2 LEU 42 HB1 LEU 42 -3.189 30.333 -9.517 278 HB3 LEU 42 HB2 LEU 42 -3.025 31.543 -10.788 279 HG LEU 42 HG LEU 42 -5.153 31.544 -8.648 280 HD11 LEU 42 HD11 LEU 42 -3.864 32.880 -7.374 281 HD12 LEU 42 HD12 LEU 42 -3.109 33.661 -8.762 282 HD13 LEU 42 HD13 LEU 42 -2.547 32.077 -8.229 283 HD21 LEU 42 HD21 LEU 42 -6.208 32.940 -10.021 284 HD22 LEU 42 HD22 LEU 42 -4.847 32.976 -11.142 285 HD23 LEU 42 HD23 LEU 42 -4.883 34.074 -9.761 286 H PHE 43 HN PHE 43 -5.532 31.318 -13.147 287 HA PHE 43 HA PHE 43 -3.275 30.459 -14.823 288 HB2 PHE 43 HB1 PHE 43 -6.198 30.355 -15.599 289 HB3 PHE 43 HB2 PHE 43 -4.849 30.035 -16.684 290 HD1 PHE 43 HD1 PHE 43 -7.172 28.620 -14.430 291 HD2 PHE 43 HD2 PHE 43 -3.237 28.136 -15.979 292 HE1 PHE 43 HE1 PHE 43 -7.202 26.254 -13.757 293 HE2 PHE 43 HE2 PHE 43 -3.261 25.768 -15.309 294 HZ PHE 43 HZ PHE 43 -5.245 24.824 -14.197 295 H CYS 44 HN CYS 44 -3.149 31.718 -16.885 296 HA CYS 44 HA CYS 44 -3.637 34.536 -16.295 297 HB2 CYS 44 HB1 CYS 44 -2.051 34.993 -18.098 298 HB3 CYS 44 HB2 CYS 44 -1.362 33.858 -16.943 299 H GLN 45 HN GLN 45 -4.410 35.970 -17.998 300 HA GLN 45 HA GLN 45 -6.851 35.186 -19.066 301 HB2 GLN 45 HB1 GLN 45 -6.883 37.281 -20.223 302 HB3 GLN 45 HB2 GLN 45 -6.090 37.541 -18.676 303 HG2 GLN 45 HG1 GLN 45 -3.929 37.547 -19.726 304 HG3 GLN 45 HG2 GLN 45 -4.644 37.121 -21.280 305 HE21 GLN 45 HE21 GLN 45 -3.971 40.835 -20.841 306 HE22 GLN 45 HE22 GLN 45 -3.033 39.449 -20.412 307 H LYS 46 HN LYS 46 -3.673 34.686 -20.262 308 HA LYS 46 HA LYS 46 -4.543 34.189 -22.990 309 HB2 LYS 46 HB1 LYS 46 -2.143 34.990 -21.855 310 HB3 LYS 46 HB2 LYS 46 -1.842 33.319 -22.314 311 HG2 LYS 46 HG1 LYS 46 -2.911 35.432 -24.172 312 HG3 LYS 46 HG2 LYS 46 -1.215 34.958 -24.054 313 HD2 LYS 46 HD1 LYS 46 -3.477 33.083 -24.740 314 HD3 LYS 46 HD2 LYS 46 -2.426 33.861 -25.925 315 HE2 LYS 46 HE1 LYS 46 -0.850 32.591 -23.889 316 HE3 LYS 46 HE2 LYS 46 -1.999 31.439 -24.566 317 HZ1 LYS 46 HZ1 LYS 46 0.388 32.115 -25.659 318 HZ2 LYS 46 HZ2 LYS 46 -0.701 33.042 -26.561 319 HZ3 LYS 46 HZ3 LYS 46 -0.886 31.362 -26.478 320 H CYS 47 HN CYS 47 -4.248 32.469 -20.080 321 HA CYS 47 HA CYS 47 -3.787 29.886 -21.301 322 HB2 CYS 47 HB1 CYS 47 -3.602 30.976 -18.678 323 HB3 CYS 47 HB2 CYS 47 -4.751 29.643 -18.623 324 H SER 48 HN SER 48 -6.463 31.486 -19.584 325 HA SER 48 HA SER 48 -8.287 29.368 -20.403 326 HB2 SER 48 HB1 SER 48 -8.960 29.887 -18.295 327 HB3 SER 48 HB2 SER 48 -8.304 31.522 -18.378 328 HG SER 48 HG SER 48 -10.718 30.614 -19.567 329 H ARG 49 HN ARG 49 -7.807 32.842 -20.883 330 HA ARG 49 HA ARG 49 -8.916 34.334 -22.250 331 HB2 ARG 49 HB1 ARG 49 -8.732 33.608 -24.665 332 HB3 ARG 49 HB2 ARG 49 -7.237 33.561 -23.741 333 HG2 ARG 49 HG1 ARG 49 -7.586 31.125 -23.409 334 HG3 ARG 49 HG2 ARG 49 -8.981 31.226 -24.485 335 HD2 ARG 49 HD1 ARG 49 -6.934 32.490 -25.874 336 HD3 ARG 49 HD2 ARG 49 -6.159 31.099 -25.117 337 HE ARG 49 HE ARG 49 -7.372 29.706 -26.487 338 HH11 ARG 49 HH11 ARG 49 -8.626 32.946 -26.696 339 HH12 ARG 49 HH12 ARG 49 -9.649 32.603 -28.051 340 HH21 ARG 49 HH21 ARG 49 -8.715 29.241 -28.271 341 HH22 ARG 49 HH22 ARG 49 -9.700 30.494 -28.946 342 H PHE 50 HN PHE 50 -10.682 32.355 -20.923 343 HA PHE 50 HA PHE 50 -12.982 32.709 -22.696 344 HB2 PHE 50 HB1 PHE 50 -12.187 30.093 -21.408 345 HB3 PHE 50 HB2 PHE 50 -13.774 30.398 -22.106 346 HD1 PHE 50 HD1 PHE 50 -13.185 31.823 -24.550 347 HD2 PHE 50 HD2 PHE 50 -11.124 28.560 -22.756 348 HE1 PHE 50 HE1 PHE 50 -12.343 31.144 -26.760 349 HE2 PHE 50 HE2 PHE 50 -10.279 27.875 -24.963 350 HZ PHE 50 HZ PHE 50 -10.887 29.168 -26.968 351 H GLN 51 HN GLN 51 -15.057 32.065 -21.444 352 HA GLN 51 HA GLN 51 -14.960 32.325 -18.590 353 HB2 GLN 51 HB1 GLN 51 -15.307 34.693 -20.258 354 HB3 GLN 51 HB2 GLN 51 -16.638 34.460 -19.133 355 HG2 GLN 51 HG1 GLN 51 -15.285 34.690 -17.275 356 HG3 GLN 51 HG2 GLN 51 -13.818 34.296 -18.170 357 HE21 GLN 51 HE21 GLN 51 -13.016 37.636 -18.407 358 HE22 GLN 51 HE22 GLN 51 -12.547 36.007 -18.078 359 H SER 52 HN SER 52 -16.644 31.274 -17.757 360 HA SER 52 HA SER 52 -19.282 31.406 -18.767 361 HB2 SER 52 HB1 SER 52 -17.598 29.513 -20.068 362 HB3 SER 52 HB2 SER 52 -18.751 28.617 -19.080 363 HG SER 52 HG SER 52 -19.315 29.378 -21.365 364 H GLU 53 HN GLU 53 -20.671 29.598 -17.717 365 HA GLU 53 HA GLU 53 -19.950 29.552 -14.908 366 HB2 GLU 53 HB1 GLU 53 -22.238 28.698 -14.569 367 HB3 GLU 53 HB2 GLU 53 -22.218 30.189 -15.500 368 HG2 GLU 53 HG1 GLU 53 -22.202 28.504 -17.531 369 HG3 GLU 53 HG2 GLU 53 -22.935 27.435 -16.337 370 H ILE 54 HN ILE 54 -20.599 27.466 -13.693 371 HA ILE 54 HA ILE 54 -19.681 25.103 -15.187 372 HB ILE 54 HB ILE 54 -18.817 25.809 -12.380 373 HG12 ILE 54 HG11 ILE 54 -16.771 25.505 -14.460 374 HG13 ILE 54 HG12 ILE 54 -17.845 26.874 -14.724 375 HG21 ILE 54 HG21 ILE 54 -17.340 23.861 -12.599 376 HG22 ILE 54 HG22 ILE 54 -19.041 23.416 -12.717 377 HG23 ILE 54 HG23 ILE 54 -18.052 23.509 -14.173 378 HD11 ILE 54 HD11 ILE 54 -16.079 27.753 -13.499 379 HD12 ILE 54 HD12 ILE 54 -17.339 27.489 -12.294 380 HD13 ILE 54 HD13 ILE 54 -15.998 26.352 -12.431 381 H LYS 55 HN LYS 55 -21.914 24.525 -15.316 382 HA LYS 55 HA LYS 55 -23.629 24.241 -13.118 383 HB2 LYS 55 HB1 LYS 55 -23.870 23.915 -15.821 384 HB3 LYS 55 HB2 LYS 55 -23.960 22.250 -15.261 385 HG2 LYS 55 HG1 LYS 55 -26.045 22.524 -14.562 386 HG3 LYS 55 HG2 LYS 55 -25.611 23.963 -13.638 387 HD2 LYS 55 HD1 LYS 55 -25.798 24.235 -16.587 388 HD3 LYS 55 HD2 LYS 55 -27.306 24.040 -15.691 389 HE2 LYS 55 HE1 LYS 55 -25.952 25.899 -14.195 390 HE3 LYS 55 HE2 LYS 55 -25.487 26.322 -15.842 391 HZ1 LYS 55 HZ1 LYS 55 -28.160 26.323 -14.613 392 HZ2 LYS 55 HZ2 LYS 55 -28.012 26.114 -16.284 393 HZ3 LYS 55 HZ3 LYS 55 -27.413 27.516 -15.552 394 H ARG 56 HN ARG 56 -21.174 22.115 -14.444 395 HA ARG 56 HA ARG 56 -21.854 19.731 -13.181 396 HB2 ARG 56 HB1 ARG 56 -19.842 18.955 -13.909 397 HB3 ARG 56 HB2 ARG 56 -19.901 20.427 -14.869 398 HG2 ARG 56 HG1 ARG 56 -18.692 21.461 -12.783 399 HG3 ARG 56 HG2 ARG 56 -18.243 19.780 -12.487 400 HD2 ARG 56 HD1 ARG 56 -17.707 21.377 -14.988 401 HD3 ARG 56 HD2 ARG 56 -16.520 20.884 -13.781 402 HE ARG 56 HE ARG 56 -17.521 18.527 -14.561 403 HH11 ARG 56 HH11 ARG 56 -16.385 21.272 -16.376 404 HH12 ARG 56 HH12 ARG 56 -15.850 20.324 -17.724 405 HH21 ARG 56 HH21 ARG 56 -16.821 17.268 -16.329 406 HH22 ARG 56 HH22 ARG 56 -16.100 18.046 -17.697 407 H LEU 57 HN LEU 57 -20.626 22.653 -11.862 408 HA LEU 57 HA LEU 57 -20.079 21.301 -9.303 409 HB2 LEU 57 HB1 LEU 57 -18.726 23.447 -10.747 410 HB3 LEU 57 HB2 LEU 57 -19.043 23.833 -9.057 411 HG LEU 57 HG LEU 57 -17.809 21.839 -8.365 412 HD11 LEU 57 HD11 LEU 57 -17.112 21.466 -11.270 413 HD12 LEU 57 HD12 LEU 57 -18.334 20.519 -10.421 414 HD13 LEU 57 HD13 LEU 57 -16.648 20.445 -9.909 415 HD21 LEU 57 HD21 LEU 57 -15.563 22.602 -9.591 416 HD22 LEU 57 HD22 LEU 57 -16.321 23.549 -8.311 417 HD23 LEU 57 HD23 LEU 57 -16.585 23.980 -10.002 418 H LYS 58 HN LYS 58 -22.617 22.457 -10.586 419 HA LYS 58 HA LYS 58 -24.547 23.351 -9.764 420 HB2 LYS 58 HB1 LYS 58 -23.159 23.956 -7.166 421 HB3 LYS 58 HB2 LYS 58 -24.861 23.612 -7.445 422 HG2 LYS 58 HG1 LYS 58 -23.713 21.309 -8.304 423 HG3 LYS 58 HG2 LYS 58 -22.610 21.787 -7.012 424 HD2 LYS 58 HD1 LYS 58 -25.580 21.798 -6.593 425 HD3 LYS 58 HD2 LYS 58 -24.644 20.311 -6.422 426 HE2 LYS 58 HE1 LYS 58 -23.130 21.787 -4.889 427 HE3 LYS 58 HE2 LYS 58 -24.563 22.809 -4.785 428 HZ1 LYS 58 HZ1 LYS 58 -24.302 21.043 -3.022 429 HZ2 LYS 58 HZ2 LYS 58 -24.653 19.905 -4.222 430 HZ3 LYS 58 HZ3 LYS 58 -25.795 21.085 -3.816 431 H ILE 59 HN ILE 59 -22.446 24.912 -11.068 432 HA ILE 59 HA ILE 59 -22.988 27.571 -9.922 433 HB ILE 59 HB ILE 59 -20.781 26.846 -11.850 434 HG12 ILE 59 HG11 ILE 59 -20.673 27.219 -8.848 435 HG13 ILE 59 HG12 ILE 59 -20.448 25.700 -9.710 436 HG21 ILE 59 HG21 ILE 59 -20.547 29.220 -10.146 437 HG22 ILE 59 HG22 ILE 59 -20.192 29.011 -11.860 438 HG23 ILE 59 HG23 ILE 59 -21.851 29.291 -11.332 439 HD11 ILE 59 HD11 ILE 59 -18.628 27.600 -10.770 440 HD12 ILE 59 HD12 ILE 59 -18.514 27.630 -9.010 441 HD13 ILE 59 HD13 ILE 59 -18.289 26.115 -9.882 442 H SER 60 HN SER 60 -24.715 28.406 -10.915 443 HA SER 60 HA SER 60 -25.183 27.905 -13.742 444 HB2 SER 60 HB1 SER 60 -26.966 29.788 -12.341 445 HB3 SER 60 HB2 SER 60 -27.360 28.376 -13.321 446 HG SER 60 HG SER 60 -27.068 28.604 -10.604 447 H SER 61 HN SER 61 -23.744 30.275 -11.763 448 HA SER 61 HA SER 61 -24.109 32.427 -13.690 449 HB2 SER 61 HB1 SER 61 -24.166 33.430 -11.636 450 HB3 SER 61 HB2 SER 61 -23.123 32.215 -10.896 451 HG SER 61 HG SER 61 -22.478 34.615 -12.016 452 HA PRO 62 HA PRO 62 -20.346 31.741 -15.856 453 HB2 PRO 62 HB1 PRO 62 -19.818 34.274 -16.679 454 HB3 PRO 62 HB2 PRO 62 -21.107 33.285 -17.378 455 HG2 PRO 62 HG1 PRO 62 -21.283 35.437 -15.304 456 HG3 PRO 62 HG2 PRO 62 -22.340 35.135 -16.695 457 HD2 PRO 62 HD1 PRO 62 -22.994 34.381 -14.178 458 HD3 PRO 62 HD2 PRO 62 -23.499 33.463 -15.612 459 H VAL 63 HN VAL 63 -18.372 31.400 -15.069 460 HA VAL 63 HA VAL 63 -17.070 33.504 -13.494 461 HB VAL 63 HB VAL 63 -16.229 31.895 -11.869 462 HG11 VAL 63 HG11 VAL 63 -18.804 32.891 -12.007 463 HG12 VAL 63 HG12 VAL 63 -19.031 31.191 -11.590 464 HG13 VAL 63 HG13 VAL 63 -18.017 32.221 -10.578 465 HG21 VAL 63 HG21 VAL 63 -17.678 29.953 -13.611 466 HG22 VAL 63 HG22 VAL 63 -16.075 29.833 -12.885 467 HG23 VAL 63 HG23 VAL 63 -17.513 29.615 -11.888 468 H ARG 64 HN ARG 64 -14.691 32.584 -12.982 469 HA ARG 64 HA ARG 64 -13.414 32.429 -15.514 470 HB2 ARG 64 HB1 ARG 64 -12.070 31.793 -12.900 471 HB3 ARG 64 HB2 ARG 64 -11.378 32.532 -14.338 472 HG2 ARG 64 HG1 ARG 64 -11.987 34.592 -13.719 473 HG3 ARG 64 HG2 ARG 64 -13.572 34.059 -13.154 474 HD2 ARG 64 HD1 ARG 64 -11.504 33.035 -11.441 475 HD3 ARG 64 HD2 ARG 64 -11.351 34.785 -11.603 476 HE ARG 64 HE ARG 64 -13.346 33.384 -10.151 477 HH11 ARG 64 HH11 ARG 64 -12.838 36.204 -12.129 478 HH12 ARG 64 HH12 ARG 64 -14.125 37.107 -11.402 479 HH21 ARG 64 HH21 ARG 64 -15.043 34.563 -9.185 480 HH22 ARG 64 HH22 ARG 64 -15.378 36.173 -9.726 481 H VAL 65 HN VAL 65 -12.529 30.735 -16.590 482 HA VAL 65 HA VAL 65 -12.334 28.125 -15.331 483 HB VAL 65 HB VAL 65 -13.644 26.984 -17.066 484 HG11 VAL 65 HG11 VAL 65 -15.746 27.362 -16.118 485 HG12 VAL 65 HG12 VAL 65 -14.614 27.847 -14.855 486 HG13 VAL 65 HG13 VAL 65 -15.416 29.071 -15.840 487 HG21 VAL 65 HG21 VAL 65 -14.423 29.765 -17.939 488 HG22 VAL 65 HG22 VAL 65 -13.414 28.639 -18.846 489 HG23 VAL 65 HG23 VAL 65 -15.111 28.261 -18.552 490 H CYS 66 HN CYS 66 -10.726 26.913 -16.177 491 HA CYS 66 HA CYS 66 -8.955 28.128 -18.063 492 HB2 CYS 66 HB1 CYS 66 -7.644 26.017 -17.794 493 HB3 CYS 66 HB2 CYS 66 -8.015 26.821 -16.273 494 H GLN 67 HN GLN 67 -8.297 27.278 -20.093 495 HA GLN 67 HA GLN 67 -10.319 26.642 -21.857 496 HB2 GLN 67 HB1 GLN 67 -8.309 27.459 -22.775 497 HB3 GLN 67 HB2 GLN 67 -7.345 26.216 -21.990 498 HG2 GLN 67 HG1 GLN 67 -8.298 24.527 -23.454 499 HG3 GLN 67 HG2 GLN 67 -9.308 25.751 -24.223 500 HE21 GLN 67 HE21 GLN 67 -6.307 25.132 -26.306 501 HE22 GLN 67 HE22 GLN 67 -7.582 24.158 -25.668 502 H ASN 68 HN ASN 68 -8.426 24.530 -19.831 503 HA ASN 68 HA ASN 68 -9.063 22.098 -21.155 504 HB2 ASN 68 HB1 ASN 68 -7.431 22.875 -19.011 505 HB3 ASN 68 HB2 ASN 68 -8.602 21.757 -18.317 506 HD21 ASN 68 HD21 ASN 68 -5.756 20.472 -20.915 507 HD22 ASN 68 HD22 ASN 68 -6.063 22.155 -20.672 508 H CYS 69 HN CYS 69 -10.614 23.994 -18.649 509 HA CYS 69 HA CYS 69 -12.596 21.940 -18.123 510 HB2 CYS 69 HB1 CYS 69 -12.007 24.655 -16.991 511 HB3 CYS 69 HB2 CYS 69 -13.572 23.903 -16.697 512 H TYR 70 HN TYR 70 -12.544 25.245 -19.438 513 HA TYR 70 HA TYR 70 -15.206 25.566 -20.041 514 HB2 TYR 70 HB1 TYR 70 -13.519 27.331 -20.330 515 HB3 TYR 70 HB2 TYR 70 -12.850 26.471 -21.712 516 HD1 TYR 70 HD1 TYR 70 -15.587 28.568 -20.511 517 HD2 TYR 70 HD2 TYR 70 -14.057 26.399 -23.836 518 HE1 TYR 70 HE1 TYR 70 -17.150 29.752 -21.995 519 HE2 TYR 70 HE2 TYR 70 -15.615 27.579 -25.330 520 HH TYR 70 HH TYR 70 -17.313 30.340 -24.405 521 H TYR 71 HN TYR 71 -12.731 23.895 -21.937 522 HA TYR 71 HA TYR 71 -14.203 23.388 -24.242 523 HB2 TYR 71 HB1 TYR 71 -11.747 22.448 -23.059 524 HB3 TYR 71 HB2 TYR 71 -12.614 21.107 -23.799 525 HD1 TYR 71 HD1 TYR 71 -10.287 23.641 -24.386 526 HD2 TYR 71 HD2 TYR 71 -13.581 21.672 -26.224 527 HE1 TYR 71 HE1 TYR 71 -9.461 24.336 -26.596 528 HE2 TYR 71 HE2 TYR 71 -12.764 22.362 -28.439 529 HH TYR 71 HH TYR 71 -10.755 23.072 -29.522 530 H ASN 72 HN ASN 72 -14.113 21.653 -21.174 531 HA ASN 72 HA ASN 72 -15.878 19.571 -22.126 532 HB2 ASN 72 HB1 ASN 72 -14.624 20.193 -19.459 533 HB3 ASN 72 HB2 ASN 72 -15.840 18.931 -19.633 534 HD21 ASN 72 HD21 ASN 72 -13.701 16.612 -21.074 535 HD22 ASN 72 HD22 ASN 72 -15.312 17.029 -20.609 536 H LEU 73 HN LEU 73 -16.146 22.627 -20.541 537 HA LEU 73 HA LEU 73 -18.688 22.233 -19.334 538 HB2 LEU 73 HB1 LEU 73 -17.059 24.636 -20.064 539 HB3 LEU 73 HB2 LEU 73 -18.712 24.818 -19.481 540 HG LEU 73 HG LEU 73 -16.447 23.522 -17.965 541 HD11 LEU 73 HD11 LEU 73 -15.872 25.580 -17.378 542 HD12 LEU 73 HD12 LEU 73 -17.453 25.766 -16.620 543 HD13 LEU 73 HD13 LEU 73 -17.214 26.265 -18.294 544 HD21 LEU 73 HD21 LEU 73 -18.285 23.974 -16.109 545 HD22 LEU 73 HD22 LEU 73 -18.248 22.478 -17.043 546 HD23 LEU 73 HD23 LEU 73 -19.366 23.769 -17.487 547 H GLN 74 HN GLN 74 -17.649 23.623 -22.425 548 HA GLN 74 HA GLN 74 -20.335 24.200 -23.264 549 HB2 GLN 74 HB1 GLN 74 -19.251 24.702 -25.461 550 HB3 GLN 74 HB2 GLN 74 -18.583 25.603 -24.106 551 HG2 GLN 74 HG1 GLN 74 -16.564 24.650 -24.294 552 HG3 GLN 74 HG2 GLN 74 -17.231 23.068 -24.694 553 HE21 GLN 74 HE21 GLN 74 -15.710 23.732 -27.798 554 HE22 GLN 74 HE22 GLN 74 -15.513 22.967 -26.261 555 H HIS 75 HN HIS 75 -18.243 21.479 -23.376 556 HA HIS 75 HA HIS 75 -19.212 20.160 -25.655 557 HB2 HIS 75 HB1 HIS 75 -17.531 19.527 -23.390 558 HB3 HIS 75 HB2 HIS 75 -18.586 18.171 -23.776 559 HD1 HIS 75 HD1 HIS 75 -17.024 16.612 -24.938 560 HD2 HIS 75 HD2 HIS 75 -16.777 20.486 -26.418 561 HE1 HIS 75 HE1 HIS 75 -15.514 16.470 -26.943 562 H GLU 76 HN GLU 76 -20.566 20.600 -22.499 563 HA GLU 76 HA GLU 76 -22.400 18.430 -22.561 564 HB2 GLU 76 HB1 GLU 76 -23.369 19.377 -20.624 565 HB3 GLU 76 HB2 GLU 76 -21.652 19.737 -20.517 566 HG2 GLU 76 HG1 GLU 76 -22.466 21.773 -19.971 567 HG3 GLU 76 HG2 GLU 76 -22.426 21.965 -21.723 568 H ARG 77 HN ARG 77 -22.451 21.701 -23.780 569 HA ARG 77 HA ARG 77 -25.273 21.744 -24.301 570 HB2 ARG 77 HB1 ARG 77 -23.128 23.611 -24.347 571 HB3 ARG 77 HB2 ARG 77 -23.877 23.621 -25.938 572 HG2 ARG 77 HG1 ARG 77 -26.050 24.057 -24.924 573 HG3 ARG 77 HG2 ARG 77 -25.312 24.024 -23.321 574 HD2 ARG 77 HD1 ARG 77 -24.184 26.021 -23.660 575 HD3 ARG 77 HD2 ARG 77 -24.272 25.887 -25.416 576 HE ARG 77 HE ARG 77 -26.259 27.006 -23.655 577 HH11 ARG 77 HH11 ARG 77 -25.634 25.614 -26.784 578 HH12 ARG 77 HH12 ARG 77 -27.012 26.352 -27.532 579 HH21 ARG 77 HH21 ARG 77 -28.075 27.984 -24.628 580 HH22 ARG 77 HH22 ARG 77 -28.399 27.701 -26.305 581 H GLY 78 HN GLY 78 -22.372 20.926 -26.100 582 HA2 GLY 78 HA2 GLY 78 -24.106 20.033 -28.318 583 HA3 GLY 78 HA1 GLY 78 -22.587 20.865 -28.620 Start of MODEL 20 1 H1 SER 1 HN SER 1 22.487 54.205 -8.619 2 HA SER 1 HA SER 1 21.465 52.280 -7.514 3 HB2 SER 1 HB1 SER 1 22.177 52.342 -10.165 4 HB3 SER 1 HB2 SER 1 22.879 50.815 -9.632 5 HG SER 1 HG SER 1 20.822 50.221 -8.855 6 H ASN 2 HN ASN 2 21.726 50.426 -6.332 7 HA ASN 2 HA ASN 2 24.504 49.594 -5.807 8 HB2 ASN 2 HB1 ASN 2 22.393 50.446 -3.982 9 HB3 ASN 2 HB2 ASN 2 23.055 48.871 -3.554 10 HD21 ASN 2 HD21 ASN 2 25.782 50.266 -2.000 11 HD22 ASN 2 HD22 ASN 2 24.609 49.004 -2.124 12 H ALA 3 HN ALA 3 21.328 48.298 -4.868 13 HA ALA 3 HA ALA 3 21.382 46.102 -6.648 14 HB1 ALA 3 HB1 ALA 3 21.623 44.550 -4.400 15 HB2 ALA 3 HB2 ALA 3 22.880 44.810 -5.611 16 HB3 ALA 3 HB3 ALA 3 22.849 45.793 -4.147 17 H GLY 4 HN GLY 4 20.326 47.319 -3.500 18 HA2 GLY 4 HA2 GLY 4 18.087 45.756 -3.068 19 HA3 GLY 4 HA1 GLY 4 18.231 47.433 -2.563 20 H ARG 5 HN ARG 5 15.879 45.985 -3.513 21 HA ARG 5 HA ARG 5 15.001 47.942 -5.451 22 HB2 ARG 5 HB1 ARG 5 15.710 45.230 -6.229 23 HB3 ARG 5 HB2 ARG 5 14.035 45.606 -6.608 24 HG2 ARG 5 HG1 ARG 5 15.289 47.839 -7.503 25 HG3 ARG 5 HG2 ARG 5 16.513 46.605 -7.807 26 HD2 ARG 5 HD1 ARG 5 13.769 45.873 -8.573 27 HD3 ARG 5 HD2 ARG 5 14.477 47.198 -9.495 28 HE ARG 5 HE ARG 5 16.408 45.271 -9.482 29 HH11 ARG 5 HH11 ARG 5 13.062 45.393 -10.436 30 HH12 ARG 5 HH12 ARG 5 13.238 44.196 -11.676 31 HH21 ARG 5 HH21 ARG 5 16.652 43.695 -11.112 32 HH22 ARG 5 HH22 ARG 5 15.279 43.230 -12.059 33 H SER 6 HN SER 6 14.041 44.781 -4.097 34 HA SER 6 HA SER 6 11.980 45.824 -2.490 35 HB2 SER 6 HB1 SER 6 11.280 45.224 -5.288 36 HB3 SER 6 HB2 SER 6 10.220 44.479 -4.092 37 HG SER 6 HG SER 6 9.621 46.648 -4.784 38 H ALA 7 HN ALA 7 10.335 43.928 -1.964 39 HA ALA 7 HA ALA 7 11.824 41.391 -1.896 40 HB1 ALA 7 HB1 ALA 7 10.216 42.272 0.467 41 HB2 ALA 7 HB2 ALA 7 11.529 41.097 0.381 42 HB3 ALA 7 HB3 ALA 7 11.880 42.822 0.263 43 H ALA 8 HN ALA 8 10.663 39.658 -2.457 44 HA ALA 8 HA ALA 8 7.912 39.988 -3.229 45 HB1 ALA 8 HB1 ALA 8 9.357 37.363 -3.178 46 HB2 ALA 8 HB2 ALA 8 8.088 37.913 -4.272 47 HB3 ALA 8 HB3 ALA 8 9.715 38.580 -4.403 48 H ASP 9 HN ASP 9 9.547 38.994 -0.410 49 HA ASP 9 HA ASP 9 7.553 37.206 0.598 50 HB2 ASP 9 HB1 ASP 9 10.145 38.141 1.408 51 HB3 ASP 9 HB2 ASP 9 9.021 38.300 2.755 52 H HIS 10 HN HIS 10 8.600 40.318 1.980 53 HA HIS 10 HA HIS 10 7.440 42.031 2.930 54 HB2 HIS 10 HB1 HIS 10 6.167 41.844 0.717 55 HB3 HIS 10 HB2 HIS 10 4.942 40.961 1.623 56 HD1 HIS 10 HD1 HIS 10 3.329 42.310 3.020 57 HD2 HIS 10 HD2 HIS 10 6.442 44.593 1.484 58 HE1 HIS 10 HE1 HIS 10 2.710 44.700 3.499 59 H TRP 11 HN TRP 11 7.905 39.930 4.549 60 HA TRP 11 HA TRP 11 7.295 39.023 6.544 61 HB2 TRP 11 HB1 TRP 11 6.215 41.486 6.600 62 HB3 TRP 11 HB2 TRP 11 4.741 40.527 6.698 63 HD1 TRP 11 HD1 TRP 11 4.971 38.482 8.740 64 HE1 TRP 11 HE1 TRP 11 5.778 38.855 11.155 65 HE3 TRP 11 HE3 TRP 11 7.544 42.849 8.071 66 HZ2 TRP 11 HZ2 TRP 11 7.303 40.750 12.588 67 HZ3 TRP 11 HZ3 TRP 11 8.648 43.877 10.015 68 HH2 TRP 11 HH2 TRP 11 8.528 42.848 12.226 69 H VAL 12 HN VAL 12 6.390 37.860 4.032 70 HA VAL 12 HA VAL 12 4.719 35.834 5.046 71 HB VAL 12 HB VAL 12 3.056 37.743 4.778 72 HG11 VAL 12 HG11 VAL 12 3.946 38.591 2.648 73 HG12 VAL 12 HG12 VAL 12 3.429 37.102 1.854 74 HG13 VAL 12 HG13 VAL 12 2.230 38.198 2.543 75 HG21 VAL 12 HG21 VAL 12 2.776 35.053 4.535 76 HG22 VAL 12 HG22 VAL 12 1.435 36.198 4.567 77 HG23 VAL 12 HG23 VAL 12 2.056 35.611 3.025 78 H LYS 13 HN LYS 13 4.139 34.230 3.405 79 HA LYS 13 HA LYS 13 5.057 34.463 0.725 80 HB2 LYS 13 HB1 LYS 13 7.211 34.243 2.078 81 HB3 LYS 13 HB2 LYS 13 6.697 32.599 2.435 82 HG2 LYS 13 HG1 LYS 13 6.441 32.645 -0.262 83 HG3 LYS 13 HG2 LYS 13 7.805 33.741 -0.027 84 HD2 LYS 13 HD1 LYS 13 7.791 31.157 1.453 85 HD3 LYS 13 HD2 LYS 13 8.154 31.133 -0.275 86 HE2 LYS 13 HE1 LYS 13 9.955 32.737 0.069 87 HE3 LYS 13 HE2 LYS 13 9.573 32.817 1.788 88 HZ1 LYS 13 HZ1 LYS 13 10.094 30.430 1.933 89 HZ2 LYS 13 HZ2 LYS 13 11.424 31.354 1.446 90 HZ3 LYS 13 HZ3 LYS 13 10.567 30.442 0.309 91 H ASP 14 HN ASP 14 2.744 33.571 2.285 92 HA ASP 14 HA ASP 14 2.350 31.025 0.930 93 HB2 ASP 14 HB1 ASP 14 3.158 30.736 3.407 94 HB3 ASP 14 HB2 ASP 14 1.499 31.180 3.799 95 H GLU 15 HN GLU 15 1.366 33.855 0.816 96 HA GLU 15 HA GLU 15 -1.313 33.928 1.731 97 HB2 GLU 15 HB1 GLU 15 -1.531 35.836 0.099 98 HB3 GLU 15 HB2 GLU 15 -0.240 36.003 1.280 99 HG2 GLU 15 HG1 GLU 15 0.529 34.739 -1.260 100 HG3 GLU 15 HG2 GLU 15 0.052 36.433 -1.362 101 H GLY 16 HN GLY 16 0.167 32.310 -0.864 102 HA2 GLY 16 HA2 GLY 16 -1.773 30.707 -1.698 103 HA3 GLY 16 HA1 GLY 16 -2.263 32.205 -2.477 104 H GLY 17 HN GLY 17 -1.172 32.932 -4.269 105 HA2 GLY 17 HA2 GLY 17 1.316 32.394 -5.196 106 HA3 GLY 17 HA1 GLY 17 0.419 30.950 -5.641 107 H ASP 18 HN ASP 18 0.868 34.350 -6.223 108 HA ASP 18 HA ASP 18 -1.222 34.511 -8.206 109 HB2 ASP 18 HB1 ASP 18 0.994 36.518 -7.867 110 HB3 ASP 18 HB2 ASP 18 -0.656 36.784 -8.422 111 H SER 19 HN SER 19 0.169 32.432 -9.017 112 HA SER 19 HA SER 19 1.577 33.426 -11.390 113 HB2 SER 19 HB1 SER 19 2.580 31.016 -9.878 114 HB3 SER 19 HB2 SER 19 3.392 31.921 -11.155 115 HG SER 19 HG SER 19 2.884 32.743 -8.492 116 H CYS 20 HN CYS 20 1.102 32.365 -13.240 117 HA CYS 20 HA CYS 20 -1.188 30.837 -13.477 118 HB2 CYS 20 HB1 CYS 20 -0.013 32.025 -15.338 119 HB3 CYS 20 HB2 CYS 20 1.186 30.735 -15.347 120 H SER 21 HN SER 21 -1.523 28.609 -14.005 121 HA SER 21 HA SER 21 0.350 26.854 -12.590 122 HB2 SER 21 HB1 SER 21 -2.306 27.036 -12.271 123 HB3 SER 21 HB2 SER 21 -2.271 25.827 -13.554 124 HG SER 21 HG SER 21 -1.223 25.688 -10.947 125 H GLY 22 HN GLY 22 -1.059 27.447 -15.725 126 HA2 GLY 22 HA2 GLY 22 0.160 25.010 -16.809 127 HA3 GLY 22 HA1 GLY 22 -0.987 26.048 -17.643 128 H CYS 23 HN CYS 23 1.085 28.136 -16.263 129 HA CYS 23 HA CYS 23 3.080 27.985 -18.411 130 HB2 CYS 23 HB1 CYS 23 1.453 30.423 -17.669 131 HB3 CYS 23 HB2 CYS 23 2.882 30.467 -18.697 132 H SER 24 HN SER 24 2.164 28.978 -15.210 133 HA SER 24 HA SER 24 3.414 29.372 -13.344 134 HB2 SER 24 HB1 SER 24 6.021 29.083 -14.748 135 HB3 SER 24 HB2 SER 24 5.508 28.451 -13.184 136 HG SER 24 HG SER 24 5.730 26.792 -14.740 137 H VAL 25 HN VAL 25 3.092 31.269 -15.843 138 HA VAL 25 HA VAL 25 5.162 33.204 -15.543 139 HB VAL 25 HB VAL 25 4.027 33.176 -17.629 140 HG11 VAL 25 HG11 VAL 25 1.935 32.387 -17.605 141 HG12 VAL 25 HG12 VAL 25 1.650 32.938 -15.952 142 HG13 VAL 25 HG13 VAL 25 1.451 34.056 -17.302 143 HG21 VAL 25 HG21 VAL 25 4.628 35.416 -16.565 144 HG22 VAL 25 HG22 VAL 25 3.510 35.447 -17.929 145 HG23 VAL 25 HG23 VAL 25 2.898 35.613 -16.283 146 H ARG 26 HN ARG 26 5.412 34.628 -13.963 147 HA ARG 26 HA ARG 26 3.602 34.913 -11.828 148 HB2 ARG 26 HB1 ARG 26 5.732 36.917 -12.564 149 HB3 ARG 26 HB2 ARG 26 5.091 36.558 -10.967 150 HG2 ARG 26 HG1 ARG 26 6.830 34.778 -12.659 151 HG3 ARG 26 HG2 ARG 26 7.284 35.612 -11.171 152 HD2 ARG 26 HD1 ARG 26 5.048 34.178 -10.439 153 HD3 ARG 26 HD2 ARG 26 5.878 33.090 -11.551 154 HE ARG 26 HE ARG 26 7.614 34.244 -9.578 155 HH11 ARG 26 HH11 ARG 26 5.371 31.667 -10.247 156 HH12 ARG 26 HH12 ARG 26 6.043 30.598 -9.060 157 HH21 ARG 26 HH21 ARG 26 8.507 32.846 -8.012 158 HH22 ARG 26 HH22 ARG 26 7.826 31.271 -7.789 159 H PHE 27 HN PHE 27 1.654 35.804 -11.993 160 HA PHE 27 HA PHE 27 0.762 37.506 -13.994 161 HB2 PHE 27 HB1 PHE 27 -0.279 37.309 -11.160 162 HB3 PHE 27 HB2 PHE 27 -1.156 37.971 -12.536 163 HD1 PHE 27 HD1 PHE 27 -0.730 36.089 -14.653 164 HD2 PHE 27 HD2 PHE 27 -1.306 35.365 -10.498 165 HE1 PHE 27 HE1 PHE 27 -1.614 33.851 -15.169 166 HE2 PHE 27 HE2 PHE 27 -2.189 33.126 -11.007 167 HZ PHE 27 HZ PHE 27 -2.343 32.366 -13.345 168 H SER 28 HN SER 28 0.323 39.740 -14.058 169 HA SER 28 HA SER 28 1.288 41.494 -11.997 170 HB2 SER 28 HB1 SER 28 2.742 41.410 -14.652 171 HB3 SER 28 HB2 SER 28 2.976 42.631 -13.402 172 HG SER 28 HG SER 28 4.448 40.693 -13.499 173 H LEU 29 HN LEU 29 1.482 43.849 -13.275 174 HA LEU 29 HA LEU 29 -1.171 44.559 -13.789 175 HB2 LEU 29 HB1 LEU 29 1.186 46.103 -14.822 176 HB3 LEU 29 HB2 LEU 29 -0.376 46.716 -14.284 177 HG LEU 29 HG LEU 29 0.591 45.553 -12.006 178 HD11 LEU 29 HD11 LEU 29 2.769 45.302 -13.392 179 HD12 LEU 29 HD12 LEU 29 2.856 45.910 -11.739 180 HD13 LEU 29 HD13 LEU 29 2.947 47.032 -13.097 181 HD21 LEU 29 HD21 LEU 29 1.306 48.382 -12.624 182 HD22 LEU 29 HD22 LEU 29 0.598 47.691 -11.163 183 HD23 LEU 29 HD23 LEU 29 -0.392 47.902 -12.609 184 H THR 30 HN THR 30 1.216 43.202 -15.845 185 HA THR 30 HA THR 30 -0.274 43.945 -18.259 186 HB THR 30 HB THR 30 1.623 43.126 -19.533 187 HG1 THR 30 HG1 THR 30 2.944 41.734 -18.659 188 HG21 THR 30 HG21 THR 30 1.612 45.393 -18.074 189 HG22 THR 30 HG22 THR 30 2.919 44.950 -19.172 190 HG23 THR 30 HG23 THR 30 3.071 44.631 -17.445 191 H GLU 31 HN GLU 31 0.345 41.300 -16.139 192 HA GLU 31 HA GLU 31 -0.947 39.451 -18.034 193 HB2 GLU 31 HB1 GLU 31 1.396 38.907 -17.216 194 HB3 GLU 31 HB2 GLU 31 0.689 38.667 -15.624 195 HG2 GLU 31 HG1 GLU 31 0.985 36.559 -16.795 196 HG3 GLU 31 HG2 GLU 31 -0.719 36.891 -16.492 197 H ARG 32 HN ARG 32 -3.050 39.304 -17.614 198 HA ARG 32 HA ARG 32 -4.154 39.823 -15.025 199 HB2 ARG 32 HB1 ARG 32 -5.165 39.291 -17.730 200 HB3 ARG 32 HB2 ARG 32 -6.178 38.640 -16.449 201 HG2 ARG 32 HG1 ARG 32 -5.300 41.388 -15.984 202 HG3 ARG 32 HG2 ARG 32 -6.303 41.180 -17.421 203 HD2 ARG 32 HD1 ARG 32 -7.969 39.987 -16.025 204 HD3 ARG 32 HD2 ARG 32 -6.983 40.339 -14.606 205 HE ARG 32 HE ARG 32 -7.711 42.671 -16.123 206 HH11 ARG 32 HH11 ARG 32 -8.681 40.467 -13.609 207 HH12 ARG 32 HH12 ARG 32 -9.745 41.601 -12.845 208 HH21 ARG 32 HH21 ARG 32 -9.109 44.173 -15.126 209 HH22 ARG 32 HH22 ARG 32 -9.988 43.709 -13.710 210 H ARG 33 HN ARG 33 -5.260 38.368 -13.668 211 HA ARG 33 HA ARG 33 -4.603 35.528 -14.097 212 HB2 ARG 33 HB1 ARG 33 -4.142 35.256 -11.762 213 HB3 ARG 33 HB2 ARG 33 -3.192 36.619 -12.338 214 HG2 ARG 33 HG1 ARG 33 -4.516 38.173 -11.227 215 HG3 ARG 33 HG2 ARG 33 -5.861 37.043 -11.054 216 HD2 ARG 33 HD1 ARG 33 -5.012 36.125 -9.183 217 HD3 ARG 33 HD2 ARG 33 -3.357 36.185 -9.787 218 HE ARG 33 HE ARG 33 -3.072 38.177 -8.699 219 HH11 ARG 33 HH11 ARG 33 -6.476 37.481 -8.928 220 HH12 ARG 33 HH12 ARG 33 -6.947 38.799 -7.906 221 HH21 ARG 33 HH21 ARG 33 -3.680 39.915 -7.353 222 HH22 ARG 33 HH22 ARG 33 -5.356 40.183 -7.012 223 H HIS 34 HN HIS 34 -6.013 34.033 -12.854 224 HA HIS 34 HA HIS 34 -8.526 34.954 -11.862 225 HB2 HIS 34 HB1 HIS 34 -9.852 33.689 -13.653 226 HB3 HIS 34 HB2 HIS 34 -9.195 35.260 -14.102 227 HD1 HIS 34 HD1 HIS 34 -7.883 35.313 -16.204 228 HD2 HIS 34 HD2 HIS 34 -8.141 31.477 -14.628 229 HE1 HIS 34 HE1 HIS 34 -6.796 33.813 -17.905 230 H HIS 35 HN HIS 35 -9.251 33.512 -10.432 231 HA HIS 35 HA HIS 35 -7.939 30.925 -10.274 232 HB2 HIS 35 HB1 HIS 35 -8.037 31.783 -8.145 233 HB3 HIS 35 HB2 HIS 35 -9.566 32.608 -8.431 234 HD1 HIS 35 HD1 HIS 35 -11.739 31.218 -8.108 235 HD2 HIS 35 HD2 HIS 35 -8.241 29.182 -7.171 236 HE1 HIS 35 HE1 HIS 35 -12.471 29.170 -6.846 237 H CYS 36 HN CYS 36 -8.761 29.196 -11.229 238 HA CYS 36 HA CYS 36 -11.357 29.138 -12.369 239 HB2 CYS 36 HB1 CYS 36 -9.378 27.866 -13.228 240 HB3 CYS 36 HB2 CYS 36 -9.523 26.793 -11.840 241 H ARG 37 HN ARG 37 -13.243 28.632 -11.479 242 HA ARG 37 HA ARG 37 -13.352 27.752 -8.733 243 HB2 ARG 37 HB1 ARG 37 -15.788 27.980 -10.448 244 HB3 ARG 37 HB2 ARG 37 -15.575 28.386 -8.750 245 HG2 ARG 37 HG1 ARG 37 -14.569 29.952 -11.116 246 HG3 ARG 37 HG2 ARG 37 -15.888 30.395 -10.030 247 HD2 ARG 37 HD1 ARG 37 -14.212 30.367 -8.156 248 HD3 ARG 37 HD2 ARG 37 -12.955 30.191 -9.380 249 HE ARG 37 HE ARG 37 -13.136 32.423 -9.794 250 HH11 ARG 37 HH11 ARG 37 -16.077 31.339 -8.279 251 HH12 ARG 37 HH12 ARG 37 -16.758 32.928 -8.166 252 HH21 ARG 37 HH21 ARG 37 -14.022 34.520 -9.652 253 HH22 ARG 37 HH22 ARG 37 -15.588 34.736 -8.948 254 H ASN 38 HN ASN 38 -12.818 26.113 -11.465 255 HA ASN 38 HA ASN 38 -14.601 23.871 -10.896 256 HB2 ASN 38 HB1 ASN 38 -14.093 24.788 -13.260 257 HB3 ASN 38 HB2 ASN 38 -12.555 23.944 -13.101 258 HD21 ASN 38 HD21 ASN 38 -15.465 21.916 -14.587 259 HD22 ASN 38 HD22 ASN 38 -15.114 23.601 -14.741 260 H CYS 39 HN CYS 39 -11.149 24.639 -11.067 261 HA CYS 39 HA CYS 39 -10.602 22.142 -9.598 262 HB2 CYS 39 HB1 CYS 39 -8.181 22.761 -10.628 263 HB3 CYS 39 HB2 CYS 39 -9.341 21.709 -11.435 264 H GLY 40 HN GLY 40 -9.867 25.569 -9.929 265 HA2 GLY 40 HA2 GLY 40 -9.510 26.968 -8.037 266 HA3 GLY 40 HA1 GLY 40 -8.946 25.564 -7.143 267 H GLN 41 HN GLN 41 -7.819 26.153 -10.376 268 HA GLN 41 HA GLN 41 -5.170 26.799 -9.272 269 HB2 GLN 41 HB1 GLN 41 -5.768 25.694 -12.015 270 HB3 GLN 41 HB2 GLN 41 -4.200 25.810 -11.228 271 HG2 GLN 41 HG1 GLN 41 -5.734 24.307 -9.477 272 HG3 GLN 41 HG2 GLN 41 -6.196 23.730 -11.078 273 HE21 GLN 41 HE21 GLN 41 -3.418 21.716 -11.301 274 HE22 GLN 41 HE22 GLN 41 -5.086 22.013 -11.636 275 H LEU 42 HN LEU 42 -4.083 28.587 -9.931 276 HA LEU 42 HA LEU 42 -5.597 30.646 -11.242 277 HB2 LEU 42 HB1 LEU 42 -3.259 30.468 -9.588 278 HB3 LEU 42 HB2 LEU 42 -2.914 31.452 -11.008 279 HG LEU 42 HG LEU 42 -4.698 32.973 -10.445 280 HD11 LEU 42 HD11 LEU 42 -6.101 32.716 -8.527 281 HD12 LEU 42 HD12 LEU 42 -5.231 31.268 -8.020 282 HD13 LEU 42 HD13 LEU 42 -6.210 31.240 -9.487 283 HD21 LEU 42 HD21 LEU 42 -2.350 32.748 -9.100 284 HD22 LEU 42 HD22 LEU 42 -3.510 32.739 -7.771 285 HD23 LEU 42 HD23 LEU 42 -3.487 34.083 -8.914 286 H PHE 43 HN PHE 43 -5.463 31.335 -13.296 287 HA PHE 43 HA PHE 43 -3.280 30.327 -14.981 288 HB2 PHE 43 HB1 PHE 43 -6.220 30.265 -15.690 289 HB3 PHE 43 HB2 PHE 43 -4.908 29.898 -16.804 290 HD1 PHE 43 HD1 PHE 43 -7.154 28.593 -14.386 291 HD2 PHE 43 HD2 PHE 43 -3.340 27.970 -16.170 292 HE1 PHE 43 HE1 PHE 43 -7.201 26.243 -13.658 293 HE2 PHE 43 HE2 PHE 43 -3.381 25.619 -15.446 294 HZ PHE 43 HZ PHE 43 -5.314 24.752 -14.189 295 H CYS 44 HN CYS 44 -2.936 31.565 -16.937 296 HA CYS 44 HA CYS 44 -3.450 34.392 -16.492 297 HB2 CYS 44 HB1 CYS 44 -1.804 34.771 -18.250 298 HB3 CYS 44 HB2 CYS 44 -1.172 33.634 -17.063 299 H GLN 45 HN GLN 45 -4.129 35.784 -18.281 300 HA GLN 45 HA GLN 45 -6.564 35.009 -19.384 301 HB2 GLN 45 HB1 GLN 45 -6.559 37.076 -20.555 302 HB3 GLN 45 HB2 GLN 45 -5.724 37.364 -19.034 303 HG2 GLN 45 HG1 GLN 45 -3.575 37.194 -20.177 304 HG3 GLN 45 HG2 GLN 45 -4.410 36.902 -21.702 305 HE21 GLN 45 HE21 GLN 45 -3.638 40.397 -21.904 306 HE22 GLN 45 HE22 GLN 45 -2.907 38.843 -22.089 307 H LYS 46 HN LYS 46 -3.370 34.394 -20.458 308 HA LYS 46 HA LYS 46 -4.185 33.825 -23.196 309 HB2 LYS 46 HB1 LYS 46 -1.771 34.596 -21.971 310 HB3 LYS 46 HB2 LYS 46 -1.508 32.960 -22.560 311 HG2 LYS 46 HG1 LYS 46 -2.415 35.331 -24.179 312 HG3 LYS 46 HG2 LYS 46 -0.835 34.546 -24.238 313 HD2 LYS 46 HD1 LYS 46 -3.451 33.210 -24.931 314 HD3 LYS 46 HD2 LYS 46 -2.323 33.889 -26.107 315 HE2 LYS 46 HE1 LYS 46 -0.965 32.119 -24.281 316 HE3 LYS 46 HE2 LYS 46 -2.325 31.301 -25.048 317 HZ1 LYS 46 HZ1 LYS 46 -1.384 32.250 -27.201 318 HZ2 LYS 46 HZ2 LYS 46 -0.554 30.959 -26.492 319 HZ3 LYS 46 HZ3 LYS 46 0.034 32.536 -26.325 320 H CYS 47 HN CYS 47 -3.993 32.221 -20.228 321 HA CYS 47 HA CYS 47 -3.484 29.593 -21.344 322 HB2 CYS 47 HB1 CYS 47 -3.317 30.776 -18.766 323 HB3 CYS 47 HB2 CYS 47 -4.486 29.462 -18.667 324 H SER 48 HN SER 48 -6.178 31.211 -19.666 325 HA SER 48 HA SER 48 -7.987 29.096 -20.559 326 HB2 SER 48 HB1 SER 48 -8.781 31.441 -18.847 327 HB3 SER 48 HB2 SER 48 -9.502 29.834 -18.920 328 HG SER 48 HG SER 48 -7.200 29.238 -18.166 329 H ARG 49 HN ARG 49 -7.494 32.582 -20.845 330 HA ARG 49 HA ARG 49 -8.618 34.164 -22.091 331 HB2 ARG 49 HB1 ARG 49 -8.551 33.525 -24.558 332 HB3 ARG 49 HB2 ARG 49 -7.021 33.498 -23.692 333 HG2 ARG 49 HG1 ARG 49 -7.309 31.037 -23.408 334 HG3 ARG 49 HG2 ARG 49 -8.721 31.139 -24.460 335 HD2 ARG 49 HD1 ARG 49 -6.379 32.455 -25.579 336 HD3 ARG 49 HD2 ARG 49 -6.113 30.741 -25.264 337 HE ARG 49 HE ARG 49 -8.580 31.248 -26.624 338 HH11 ARG 49 HH11 ARG 49 -5.148 30.835 -27.042 339 HH12 ARG 49 HH12 ARG 49 -5.281 30.306 -28.687 340 HH21 ARG 49 HH21 ARG 49 -8.767 30.554 -28.788 341 HH22 ARG 49 HH22 ARG 49 -7.339 30.147 -29.679 342 H PHE 50 HN PHE 50 -10.388 32.191 -20.801 343 HA PHE 50 HA PHE 50 -12.721 32.627 -22.515 344 HB2 PHE 50 HB1 PHE 50 -11.966 29.984 -21.257 345 HB3 PHE 50 HB2 PHE 50 -13.552 30.331 -21.937 346 HD1 PHE 50 HD1 PHE 50 -11.005 28.400 -22.632 347 HD2 PHE 50 HD2 PHE 50 -12.900 31.791 -24.371 348 HE1 PHE 50 HE1 PHE 50 -10.197 27.709 -24.851 349 HE2 PHE 50 HE2 PHE 50 -12.097 31.106 -26.593 350 HZ PHE 50 HZ PHE 50 -10.744 29.062 -26.835 351 H GLN 51 HN GLN 51 -14.785 32.060 -21.237 352 HA GLN 51 HA GLN 51 -14.644 32.247 -18.383 353 HB2 GLN 51 HB1 GLN 51 -14.856 34.678 -19.972 354 HB3 GLN 51 HB2 GLN 51 -16.209 34.489 -18.865 355 HG2 GLN 51 HG1 GLN 51 -14.857 34.572 -16.989 356 HG3 GLN 51 HG2 GLN 51 -13.406 34.142 -17.894 357 HE21 GLN 51 HE21 GLN 51 -13.431 37.775 -17.002 358 HE22 GLN 51 HE22 GLN 51 -13.666 36.321 -16.099 359 H SER 52 HN SER 52 -16.385 31.293 -17.546 360 HA SER 52 HA SER 52 -19.021 31.599 -18.487 361 HB2 SER 52 HB1 SER 52 -18.153 30.215 -20.363 362 HB3 SER 52 HB2 SER 52 -17.756 28.944 -19.206 363 HG SER 52 HG SER 52 -19.785 28.390 -19.131 364 H GLU 53 HN GLU 53 -20.452 29.716 -17.544 365 HA GLU 53 HA GLU 53 -19.812 29.598 -14.740 366 HB2 GLU 53 HB1 GLU 53 -22.029 28.342 -14.640 367 HB3 GLU 53 HB2 GLU 53 -22.086 30.007 -15.202 368 HG2 GLU 53 HG1 GLU 53 -21.723 28.109 -17.369 369 HG3 GLU 53 HG2 GLU 53 -23.199 27.825 -16.449 370 H ILE 54 HN ILE 54 -20.392 27.406 -13.616 371 HA ILE 54 HA ILE 54 -19.163 25.180 -15.090 372 HB ILE 54 HB ILE 54 -18.513 25.837 -12.216 373 HG12 ILE 54 HG11 ILE 54 -16.687 26.116 -14.605 374 HG13 ILE 54 HG12 ILE 54 -17.601 27.464 -13.937 375 HG21 ILE 54 HG21 ILE 54 -17.247 23.849 -14.095 376 HG22 ILE 54 HG22 ILE 54 -16.869 24.089 -12.390 377 HG23 ILE 54 HG23 ILE 54 -18.441 23.445 -12.863 378 HD11 ILE 54 HD11 ILE 54 -15.079 26.519 -13.152 379 HD12 ILE 54 HD12 ILE 54 -16.035 27.807 -12.419 380 HD13 ILE 54 HD13 ILE 54 -16.191 26.150 -11.834 381 H LYS 55 HN LYS 55 -21.400 24.511 -15.318 382 HA LYS 55 HA LYS 55 -23.190 24.019 -13.268 383 HB2 LYS 55 HB1 LYS 55 -22.732 22.737 -15.939 384 HB3 LYS 55 HB2 LYS 55 -23.934 22.066 -14.843 385 HG2 LYS 55 HG1 LYS 55 -23.955 24.972 -15.558 386 HG3 LYS 55 HG2 LYS 55 -24.690 23.763 -16.613 387 HD2 LYS 55 HD1 LYS 55 -26.406 23.374 -15.189 388 HD3 LYS 55 HD2 LYS 55 -25.405 23.597 -13.753 389 HE2 LYS 55 HE1 LYS 55 -25.877 25.796 -13.612 390 HE3 LYS 55 HE2 LYS 55 -25.843 26.019 -15.360 391 HZ1 LYS 55 HZ1 LYS 55 -28.072 24.479 -14.304 392 HZ2 LYS 55 HZ2 LYS 55 -28.041 25.630 -15.543 393 HZ3 LYS 55 HZ3 LYS 55 -28.067 26.129 -13.927 394 H ARG 56 HN ARG 56 -20.496 22.047 -14.395 395 HA ARG 56 HA ARG 56 -21.044 19.696 -13.001 396 HB2 ARG 56 HB1 ARG 56 -19.122 20.403 -14.714 397 HB3 ARG 56 HB2 ARG 56 -18.212 20.582 -13.220 398 HG2 ARG 56 HG1 ARG 56 -18.150 18.359 -12.827 399 HG3 ARG 56 HG2 ARG 56 -19.742 18.077 -13.535 400 HD2 ARG 56 HD1 ARG 56 -17.794 18.977 -15.494 401 HD3 ARG 56 HD2 ARG 56 -17.300 17.488 -14.690 402 HE ARG 56 HE ARG 56 -19.941 17.134 -15.407 403 HH11 ARG 56 HH11 ARG 56 -16.923 17.762 -17.026 404 HH12 ARG 56 HH12 ARG 56 -17.384 16.944 -18.482 405 HH21 ARG 56 HH21 ARG 56 -20.558 16.053 -17.318 406 HH22 ARG 56 HH22 ARG 56 -19.452 15.972 -18.647 407 H LEU 57 HN LEU 57 -20.004 22.767 -11.860 408 HA LEU 57 HA LEU 57 -19.337 21.622 -9.232 409 HB2 LEU 57 HB1 LEU 57 -18.462 24.064 -10.689 410 HB3 LEU 57 HB2 LEU 57 -18.526 24.119 -8.929 411 HG LEU 57 HG LEU 57 -16.279 23.594 -9.904 412 HD11 LEU 57 HD11 LEU 57 -17.166 21.251 -8.289 413 HD12 LEU 57 HD12 LEU 57 -17.261 22.869 -7.594 414 HD13 LEU 57 HD13 LEU 57 -15.710 22.236 -8.144 415 HD21 LEU 57 HD21 LEU 57 -17.495 22.011 -11.637 416 HD22 LEU 57 HD22 LEU 57 -17.196 20.808 -10.382 417 HD23 LEU 57 HD23 LEU 57 -15.847 21.696 -11.093 418 H LYS 58 HN LYS 58 -22.013 22.380 -10.551 419 HA LYS 58 HA LYS 58 -24.040 23.092 -9.799 420 HB2 LYS 58 HB1 LYS 58 -22.759 23.761 -7.157 421 HB3 LYS 58 HB2 LYS 58 -24.430 23.313 -7.474 422 HG2 LYS 58 HG1 LYS 58 -23.014 21.133 -8.378 423 HG3 LYS 58 HG2 LYS 58 -22.117 21.639 -6.945 424 HD2 LYS 58 HD1 LYS 58 -23.684 20.224 -6.022 425 HD3 LYS 58 HD2 LYS 58 -24.496 21.783 -5.868 426 HE2 LYS 58 HE1 LYS 58 -26.174 21.098 -7.156 427 HE3 LYS 58 HE2 LYS 58 -25.058 20.618 -8.434 428 HZ1 LYS 58 HZ1 LYS 58 -24.815 18.683 -6.503 429 HZ2 LYS 58 HZ2 LYS 58 -25.633 18.540 -7.976 430 HZ3 LYS 58 HZ3 LYS 58 -26.477 18.991 -6.581 431 H ILE 59 HN ILE 59 -21.939 24.908 -10.903 432 HA ILE 59 HA ILE 59 -22.836 27.464 -9.762 433 HB ILE 59 HB ILE 59 -20.524 27.005 -11.648 434 HG12 ILE 59 HG11 ILE 59 -20.502 27.366 -8.643 435 HG13 ILE 59 HG12 ILE 59 -20.162 25.863 -9.493 436 HG21 ILE 59 HG21 ILE 59 -21.850 29.321 -11.110 437 HG22 ILE 59 HG22 ILE 59 -20.563 29.359 -9.905 438 HG23 ILE 59 HG23 ILE 59 -20.164 29.219 -11.617 439 HD11 ILE 59 HD11 ILE 59 -18.478 28.248 -9.106 440 HD12 ILE 59 HD12 ILE 59 -18.038 26.542 -9.193 441 HD13 ILE 59 HD13 ILE 59 -18.362 27.446 -10.672 442 H SER 60 HN SER 60 -24.531 28.293 -10.785 443 HA SER 60 HA SER 60 -24.988 27.723 -13.599 444 HB2 SER 60 HB1 SER 60 -26.872 29.591 -12.449 445 HB3 SER 60 HB2 SER 60 -27.155 27.966 -13.072 446 HG SER 60 HG SER 60 -27.056 28.801 -10.524 447 H SER 61 HN SER 61 -23.701 30.224 -11.634 448 HA SER 61 HA SER 61 -24.073 32.289 -13.646 449 HB2 SER 61 HB1 SER 61 -22.415 33.410 -11.799 450 HB3 SER 61 HB2 SER 61 -24.175 33.421 -11.683 451 HG SER 61 HG SER 61 -23.958 32.285 -9.943 452 HA PRO 62 HA PRO 62 -20.229 31.726 -15.696 453 HB2 PRO 62 HB1 PRO 62 -19.719 34.274 -16.481 454 HB3 PRO 62 HB2 PRO 62 -20.971 33.272 -17.224 455 HG2 PRO 62 HG1 PRO 62 -21.240 35.401 -15.137 456 HG3 PRO 62 HG2 PRO 62 -22.252 35.096 -16.560 457 HD2 PRO 62 HD1 PRO 62 -22.965 34.308 -14.069 458 HD3 PRO 62 HD2 PRO 62 -23.415 33.396 -15.525 459 H VAL 63 HN VAL 63 -18.229 31.463 -14.938 460 HA VAL 63 HA VAL 63 -16.999 33.562 -13.316 461 HB VAL 63 HB VAL 63 -16.212 31.986 -11.630 462 HG11 VAL 63 HG11 VAL 63 -19.139 31.470 -11.671 463 HG12 VAL 63 HG12 VAL 63 -18.108 32.043 -10.358 464 HG13 VAL 63 HG13 VAL 63 -18.588 33.145 -11.649 465 HG21 VAL 63 HG21 VAL 63 -17.369 29.708 -11.573 466 HG22 VAL 63 HG22 VAL 63 -17.746 29.993 -13.272 467 HG23 VAL 63 HG23 VAL 63 -16.066 29.926 -12.742 468 H ARG 64 HN ARG 64 -14.641 32.637 -12.706 469 HA ARG 64 HA ARG 64 -13.264 32.470 -15.170 470 HB2 ARG 64 HB1 ARG 64 -12.122 31.783 -12.463 471 HB3 ARG 64 HB2 ARG 64 -11.261 32.381 -13.875 472 HG2 ARG 64 HG1 ARG 64 -12.006 34.544 -13.581 473 HG3 ARG 64 HG2 ARG 64 -13.406 34.041 -12.632 474 HD2 ARG 64 HD1 ARG 64 -11.762 33.285 -10.862 475 HD3 ARG 64 HD2 ARG 64 -10.522 34.136 -11.782 476 HE ARG 64 HE ARG 64 -12.405 36.030 -11.442 477 HH11 ARG 64 HH11 ARG 64 -10.832 33.846 -9.234 478 HH12 ARG 64 HH12 ARG 64 -10.944 34.925 -7.883 479 HH21 ARG 64 HH21 ARG 64 -12.558 37.459 -9.671 480 HH22 ARG 64 HH22 ARG 64 -11.927 36.979 -8.132 481 H VAL 65 HN VAL 65 -12.531 30.778 -16.316 482 HA VAL 65 HA VAL 65 -12.338 28.140 -15.117 483 HB VAL 65 HB VAL 65 -13.731 27.053 -16.813 484 HG11 VAL 65 HG11 VAL 65 -15.400 29.179 -15.504 485 HG12 VAL 65 HG12 VAL 65 -15.808 27.491 -15.816 486 HG13 VAL 65 HG13 VAL 65 -14.623 27.898 -14.574 487 HG21 VAL 65 HG21 VAL 65 -13.529 28.682 -18.600 488 HG22 VAL 65 HG22 VAL 65 -15.230 28.400 -18.228 489 HG23 VAL 65 HG23 VAL 65 -14.433 29.865 -17.654 490 H CYS 66 HN CYS 66 -10.764 26.937 -16.026 491 HA CYS 66 HA CYS 66 -9.072 28.159 -17.988 492 HB2 CYS 66 HB1 CYS 66 -7.700 26.111 -17.731 493 HB3 CYS 66 HB2 CYS 66 -8.084 26.864 -16.187 494 H GLN 67 HN GLN 67 -8.457 27.235 -20.018 495 HA GLN 67 HA GLN 67 -10.514 26.623 -21.729 496 HB2 GLN 67 HB1 GLN 67 -8.483 27.298 -22.706 497 HB3 GLN 67 HB2 GLN 67 -7.567 26.047 -21.876 498 HG2 GLN 67 HG1 GLN 67 -8.606 24.342 -23.258 499 HG3 GLN 67 HG2 GLN 67 -9.574 25.573 -24.068 500 HE21 GLN 67 HE21 GLN 67 -6.065 24.627 -25.555 501 HE22 GLN 67 HE22 GLN 67 -7.017 23.663 -24.483 502 H ASN 68 HN ASN 68 -8.473 24.398 -19.899 503 HA ASN 68 HA ASN 68 -9.293 21.997 -21.053 504 HB2 ASN 68 HB1 ASN 68 -7.723 22.790 -18.841 505 HB3 ASN 68 HB2 ASN 68 -8.917 21.653 -18.223 506 HD21 ASN 68 HD21 ASN 68 -7.486 18.852 -19.679 507 HD22 ASN 68 HD22 ASN 68 -8.788 19.529 -18.767 508 H CYS 69 HN CYS 69 -10.776 23.943 -18.518 509 HA CYS 69 HA CYS 69 -12.872 21.996 -18.063 510 HB2 CYS 69 HB1 CYS 69 -12.283 24.727 -16.934 511 HB3 CYS 69 HB2 CYS 69 -13.779 23.872 -16.569 512 H TYR 70 HN TYR 70 -12.687 25.339 -19.277 513 HA TYR 70 HA TYR 70 -15.307 25.779 -19.932 514 HB2 TYR 70 HB1 TYR 70 -13.546 27.471 -20.178 515 HB3 TYR 70 HB2 TYR 70 -12.887 26.596 -21.555 516 HD1 TYR 70 HD1 TYR 70 -15.444 28.899 -20.411 517 HD2 TYR 70 HD2 TYR 70 -14.164 26.495 -23.679 518 HE1 TYR 70 HE1 TYR 70 -16.925 30.164 -21.914 519 HE2 TYR 70 HE2 TYR 70 -15.640 27.753 -25.191 520 HH TYR 70 HH TYR 70 -16.730 30.505 -24.829 521 H TYR 71 HN TYR 71 -12.874 24.096 -21.888 522 HA TYR 71 HA TYR 71 -14.312 23.672 -24.201 523 HB2 TYR 71 HB1 TYR 71 -12.019 22.428 -22.888 524 HB3 TYR 71 HB2 TYR 71 -12.936 21.293 -23.873 525 HD1 TYR 71 HD1 TYR 71 -13.707 22.511 -26.229 526 HD2 TYR 71 HD2 TYR 71 -10.206 23.346 -23.960 527 HE1 TYR 71 HE1 TYR 71 -12.608 23.374 -28.253 528 HE2 TYR 71 HE2 TYR 71 -9.098 24.212 -25.977 529 HH TYR 71 HH TYR 71 -10.524 25.194 -28.582 530 H ASN 72 HN ASN 72 -14.244 21.624 -21.293 531 HA ASN 72 HA ASN 72 -16.188 19.791 -22.298 532 HB2 ASN 72 HB1 ASN 72 -14.875 20.244 -19.640 533 HB3 ASN 72 HB2 ASN 72 -16.270 19.174 -19.753 534 HD21 ASN 72 HD21 ASN 72 -14.577 16.590 -21.383 535 HD22 ASN 72 HD22 ASN 72 -16.110 17.276 -20.978 536 H LEU 73 HN LEU 73 -16.295 22.745 -20.452 537 HA LEU 73 HA LEU 73 -18.872 22.505 -19.361 538 HB2 LEU 73 HB1 LEU 73 -17.200 24.882 -20.123 539 HB3 LEU 73 HB2 LEU 73 -18.794 25.050 -19.391 540 HG LEU 73 HG LEU 73 -16.438 23.658 -18.118 541 HD11 LEU 73 HD11 LEU 73 -15.739 25.772 -17.812 542 HD12 LEU 73 HD12 LEU 73 -16.978 25.798 -16.558 543 HD13 LEU 73 HD13 LEU 73 -17.326 26.460 -18.155 544 HD21 LEU 73 HD21 LEU 73 -18.536 22.739 -17.359 545 HD22 LEU 73 HD22 LEU 73 -19.181 24.355 -17.075 546 HD23 LEU 73 HD23 LEU 73 -17.847 23.752 -16.090 547 H GLN 74 HN GLN 74 -17.743 23.557 -22.515 548 HA GLN 74 HA GLN 74 -20.365 24.434 -23.353 549 HB2 GLN 74 HB1 GLN 74 -17.843 24.030 -24.972 550 HB3 GLN 74 HB2 GLN 74 -19.301 24.846 -25.522 551 HG2 GLN 74 HG1 GLN 74 -17.310 25.747 -23.476 552 HG3 GLN 74 HG2 GLN 74 -17.828 26.561 -24.952 553 HE21 GLN 74 HE21 GLN 74 -20.987 27.556 -23.494 554 HE22 GLN 74 HE22 GLN 74 -20.381 26.797 -24.922 555 H HIS 75 HN HIS 75 -18.537 21.520 -23.375 556 HA HIS 75 HA HIS 75 -19.752 20.231 -25.579 557 HB2 HIS 75 HB1 HIS 75 -18.256 19.279 -23.157 558 HB3 HIS 75 HB2 HIS 75 -19.033 18.118 -24.230 559 HD1 HIS 75 HD1 HIS 75 -16.090 17.865 -24.069 560 HD2 HIS 75 HD2 HIS 75 -17.919 20.485 -26.725 561 HE1 HIS 75 HE1 HIS 75 -14.396 18.275 -25.883 562 H GLU 76 HN GLU 76 -20.795 20.849 -22.344 563 HA GLU 76 HA GLU 76 -22.736 18.785 -22.148 564 HB2 GLU 76 HB1 GLU 76 -23.483 19.864 -20.185 565 HB3 GLU 76 HB2 GLU 76 -21.750 20.151 -20.244 566 HG2 GLU 76 HG1 GLU 76 -22.336 22.265 -19.805 567 HG3 GLU 76 HG2 GLU 76 -22.643 22.338 -21.539 568 H ARG 77 HN ARG 77 -22.685 21.905 -23.653 569 HA ARG 77 HA ARG 77 -25.565 21.687 -24.226 570 HB2 ARG 77 HB1 ARG 77 -23.733 24.068 -24.039 571 HB3 ARG 77 HB2 ARG 77 -25.285 24.162 -24.860 572 HG2 ARG 77 HG1 ARG 77 -26.012 23.042 -22.500 573 HG3 ARG 77 HG2 ARG 77 -24.666 24.067 -21.999 574 HD2 ARG 77 HD1 ARG 77 -25.731 26.009 -22.639 575 HD3 ARG 77 HD2 ARG 77 -26.757 25.182 -23.810 576 HE ARG 77 HE ARG 77 -27.434 24.275 -21.254 577 HH11 ARG 77 HH11 ARG 77 -27.584 27.185 -23.159 578 HH12 ARG 77 HH12 ARG 77 -28.990 27.796 -22.352 579 HH21 ARG 77 HH21 ARG 77 -29.286 25.068 -20.185 580 HH22 ARG 77 HH22 ARG 77 -29.957 26.592 -20.660 581 H GLY 78 HN GLY 78 -24.021 20.056 -25.719 582 HA2 GLY 78 HA2 GLY 78 -24.652 20.167 -28.242 583 HA3 GLY 78 HA1 GLY 78 -23.469 21.467 -28.236
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