NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
465314 | 2kk2 | 16350 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 TYR 1 H TYR 1 -14.458 8.768 2.070 2 HA TYR 1 HA TYR 1 -12.564 9.219 3.468 3 HB2 TYR 1 1HB TYR 1 -13.180 7.805 5.355 4 HB3 TYR 1 2HB TYR 1 -12.897 6.348 4.404 5 HD1 TYR 1 1HD TYR 1 -11.276 9.352 5.927 6 HD2 TYR 1 2HD TYR 1 -10.600 5.566 3.927 7 HE1 TYR 1 1HE TYR 1 -8.826 9.575 6.308 8 HE2 TYR 1 2HE TYR 1 -8.222 5.780 4.342 9 HH TYR 1 HH TYR 1 -6.677 8.508 6.094 10 H ASN 2 H ASN 2 -11.004 9.425 2.022 11 HA ASN 2 HA ASN 2 -10.407 7.213 0.148 12 HB2 ASN 2 1HB ASN 2 -10.316 10.160 -0.006 13 HB3 ASN 2 2HB ASN 2 -8.808 9.416 -0.523 14 HD21 ASN 2 1HD2 ASN 2 -8.793 9.053 -2.770 15 HD22 ASN 2 2HD2 ASN 2 -10.168 8.379 -3.598 16 HA PRO 3 HA PRO 3 -6.887 6.362 2.799 17 HB2 PRO 3 1HB PRO 3 -5.360 4.844 1.045 18 HB3 PRO 3 2HB PRO 3 -6.770 4.225 1.921 19 HG2 PRO 3 1HG PRO 3 -6.634 5.241 -0.897 20 HG3 PRO 3 2HG PRO 3 -7.536 3.822 -0.261 21 HD2 PRO 3 1HD PRO 3 -8.760 6.143 -0.810 22 HD3 PRO 3 2HD PRO 3 -9.254 5.102 0.565 23 H GLU 4 H GLU 4 -6.540 7.821 -0.377 24 HA GLU 4 HA GLU 4 -3.876 8.750 -0.143 25 HB2 GLU 4 1HB GLU 4 -6.238 9.942 -1.645 26 HB3 GLU 4 2HB GLU 4 -4.540 10.304 -1.948 27 HG2 GLU 4 1HG GLU 4 -5.883 7.598 -2.365 28 HG3 GLU 4 2HG GLU 4 -5.495 8.769 -3.617 29 H ASP 5 H ASP 5 -6.452 9.547 1.887 30 HA ASP 5 HA ASP 5 -5.726 12.312 2.455 31 HB2 ASP 5 1HB ASP 5 -8.051 11.198 2.739 32 HB3 ASP 5 2HB ASP 5 -7.367 10.396 4.152 33 H ASP 6 H ASP 6 -4.535 9.180 3.305 34 HA ASP 6 HA ASP 6 -2.642 10.279 5.341 35 HB2 ASP 6 1HB ASP 6 -4.449 7.876 5.696 36 HB3 ASP 6 2HB ASP 6 -2.986 8.148 6.620 37 H TYR 7 H TYR 7 -2.626 9.586 2.441 38 HA TYR 7 HA TYR 7 -0.744 7.431 2.064 39 HB2 TYR 7 1HB TYR 7 -1.838 8.201 0.150 40 HB3 TYR 7 2HB TYR 7 -1.641 9.899 0.567 41 HD1 TYR 7 2HD TYR 7 0.496 6.909 -0.250 42 HD2 TYR 7 1HD TYR 7 -0.193 11.123 -0.770 43 HE1 TYR 7 2HE TYR 7 2.415 7.027 -1.821 44 HE2 TYR 7 1HE TYR 7 1.729 11.251 -2.330 45 HH TYR 7 HH TYR 7 3.775 8.394 -3.081 46 H THR 8 H THR 8 1.532 7.560 2.200 47 HA THR 8 HA THR 8 2.650 10.005 3.457 48 HB THR 8 HB THR 8 4.202 8.468 4.631 49 HG1 THR 8 1HG THR 8 3.646 6.362 4.851 50 HG21 THR 8 3HG2 THR 8 2.142 9.483 5.633 51 HG22 THR 8 1HG2 THR 8 1.261 7.991 5.272 52 HG23 THR 8 2HG2 THR 8 2.645 7.989 6.393 53 HA PRO 9 HA PRO 9 4.870 9.407 -0.532 54 HB2 PRO 9 1HB PRO 9 5.434 12.155 -0.783 55 HB3 PRO 9 2HB PRO 9 4.178 11.255 -1.657 56 HG2 PRO 9 1HG PRO 9 3.866 13.135 0.600 57 HG3 PRO 9 2HG PRO 9 2.635 12.555 -0.534 58 HD2 PRO 9 1HD PRO 9 2.951 11.735 2.148 59 HD3 PRO 9 2HD PRO 9 1.966 10.909 0.924 60 H LEU 10 H LEU 10 5.654 11.241 2.472 61 HA LEU 10 HA LEU 10 8.019 12.270 2.002 62 HB2 LEU 10 1HB LEU 10 7.362 10.841 4.597 63 HB3 LEU 10 2HB LEU 10 8.253 12.311 4.366 64 HG LEU 10 HG LEU 10 6.357 13.176 5.133 65 HD11 LEU 10 1HD1 LEU 10 4.957 14.268 3.626 66 HD12 LEU 10 2HD1 LEU 10 6.471 14.056 2.732 67 HD13 LEU 10 3HD1 LEU 10 5.078 13.015 2.420 68 HD21 LEU 10 3HD2 LEU 10 4.593 11.061 3.913 69 HD22 LEU 10 1HD2 LEU 10 5.240 11.054 5.562 70 HD23 LEU 10 2HD2 LEU 10 4.129 12.324 5.068 71 H THR 11 H THR 11 7.463 8.895 3.078 72 HA THR 11 HA THR 11 10.308 8.213 2.636 73 HB THR 11 HB THR 11 9.434 6.166 4.010 74 HG1 THR 11 1HG THR 11 7.507 6.352 4.903 75 HG21 THR 11 3HG2 THR 11 10.938 7.883 4.957 76 HG22 THR 11 1HG2 THR 11 9.549 8.939 5.295 77 HG23 THR 11 2HG2 THR 11 9.723 7.393 6.144 78 H CYS 12 H CYS 12 7.068 7.825 1.235 79 HA CYS 12 HA CYS 12 7.500 5.072 0.641 80 HB2 CYS 12 1HB CYS 12 5.283 6.053 1.014 81 HB3 CYS 12 2HB CYS 12 5.403 6.918 -0.532 82 HA PRO 13 HA PRO 13 9.733 5.753 -3.204 83 HB2 PRO 13 1HB PRO 13 9.663 3.163 -4.222 84 HB3 PRO 13 2HB PRO 13 10.774 3.747 -2.943 85 HG2 PRO 13 1HG PRO 13 8.223 2.189 -2.666 86 HG3 PRO 13 2HG PRO 13 9.760 1.991 -1.775 87 HD2 PRO 13 1HD PRO 13 7.584 3.304 -0.761 88 HD3 PRO 13 2HD PRO 13 9.252 3.727 -0.324 89 H HIS 14 H HIS 14 6.407 5.130 -3.004 90 HA HIS 14 HA HIS 14 6.010 4.997 -5.958 91 HB2 HIS 14 1HB HIS 14 3.877 4.317 -3.926 92 HB3 HIS 14 2HB HIS 14 4.000 3.753 -5.580 93 HD1 HIS 14 1HD HIS 14 6.353 2.027 -5.958 94 HD2 HIS 14 2HD HIS 14 4.379 2.368 -2.230 95 HE1 HIS 14 1HE HIS 14 6.744 -0.111 -4.656 96 HE2 HIS 14 2HE HIS 14 5.635 0.127 -2.431 97 H THR 15 H THR 15 4.312 6.395 -6.849 98 HA THR 15 HA THR 15 4.111 8.959 -5.412 99 HB THR 15 HB THR 15 3.465 9.705 -7.711 100 HG1 THR 15 1HG THR 15 3.900 8.075 -9.375 101 HG21 THR 15 3HG2 THR 15 5.668 9.494 -8.734 102 HG22 THR 15 1HG2 THR 15 5.859 9.750 -6.990 103 HG23 THR 15 2HG2 THR 15 6.083 8.127 -7.681 104 H ILE 16 H ILE 16 1.997 10.066 -5.501 105 HA ILE 16 HA ILE 16 -0.105 8.461 -4.583 106 HB ILE 16 HB ILE 16 0.387 10.944 -4.242 107 HG12 ILE 16 1HG1 ILE 16 -2.502 10.059 -4.645 108 HG13 ILE 16 2HG1 ILE 16 -1.479 9.767 -3.234 109 HG21 ILE 16 1HG2 ILE 16 0.344 11.492 -6.708 110 HG22 ILE 16 2HG2 ILE 16 -1.427 11.358 -6.632 111 HG23 ILE 16 3HG2 ILE 16 -0.587 12.580 -5.660 112 HD11 ILE 16 3HD1 ILE 16 -2.889 11.622 -2.700 113 HD12 ILE 16 1HD1 ILE 16 -1.248 12.245 -2.914 114 HD13 ILE 16 2HD1 ILE 16 -2.468 12.470 -4.197 115 H SER 17 H SER 17 0.797 9.040 -7.858 116 HA SER 17 HA SER 17 -1.660 8.566 -9.219 117 HB2 SER 17 1HB SER 17 1.300 8.114 -9.828 118 HB3 SER 17 2HB SER 17 0.009 7.997 -11.006 119 HG SER 17 HG SER 17 1.142 9.928 -11.040 120 H VAL 18 H VAL 18 1.050 6.538 -7.938 121 HA VAL 18 HA VAL 18 -0.284 4.078 -8.904 122 HB VAL 18 HB VAL 18 1.670 3.269 -9.876 123 HG11 VAL 18 1HG1 VAL 18 1.808 6.164 -10.762 124 HG12 VAL 18 2HG1 VAL 18 2.113 4.701 -11.700 125 HG13 VAL 18 3HG1 VAL 18 0.459 5.090 -11.189 126 HG21 VAL 18 3HG2 VAL 18 3.070 5.317 -8.261 127 HG22 VAL 18 1HG2 VAL 18 3.536 3.670 -8.670 128 HG23 VAL 18 2HG2 VAL 18 3.809 4.964 -9.863 129 H VAL 19 H VAL 19 -0.500 5.184 -6.352 130 HA VAL 19 HA VAL 19 1.241 3.428 -4.745 131 HB VAL 19 HB VAL 19 1.078 5.648 -3.948 132 HG11 VAL 19 1HG1 VAL 19 -0.927 6.722 -3.120 133 HG12 VAL 19 2HG1 VAL 19 -1.201 6.314 -4.809 134 HG13 VAL 19 3HG1 VAL 19 -1.938 5.355 -3.511 135 HG21 VAL 19 3HG2 VAL 19 1.188 3.698 -2.389 136 HG22 VAL 19 1HG2 VAL 19 0.414 5.131 -1.640 137 HG23 VAL 19 2HG2 VAL 19 -0.552 3.773 -2.215 138 H TRP 20 H TRP 20 -2.290 3.940 -5.325 139 HA TRP 20 HA TRP 20 -3.104 1.986 -3.503 140 HB2 TRP 20 1HB TRP 20 -4.511 3.756 -4.535 141 HB3 TRP 20 2HB TRP 20 -4.554 2.860 -6.037 142 HD1 TRP 20 HD TRP 20 -6.434 1.154 -6.291 143 HE1 TRP 20 1HE TRP 20 -8.191 0.069 -4.784 144 HE3 TRP 20 3HE TRP 20 -4.670 2.728 -1.725 145 HZ2 TRP 20 2HZ TRP 20 -8.791 -0.060 -1.939 146 HZ3 TRP 20 3HZ TRP 20 -5.819 2.064 0.331 147 HH2 TRP 20 HH TRP 20 -7.955 0.784 0.219 148 H TYR 21 H TYR 21 -2.943 1.658 -7.075 149 HA TYR 21 HA TYR 21 -3.443 -1.127 -7.270 150 HB2 TYR 21 1HB TYR 21 -3.398 0.058 -9.303 151 HB3 TYR 21 2HB TYR 21 -1.921 0.921 -8.894 152 HD1 TYR 21 2HD TYR 21 -3.249 -2.362 -10.069 153 HD2 TYR 21 1HD TYR 21 0.288 -0.008 -9.254 154 HE1 TYR 21 2HE TYR 21 -1.860 -4.074 -11.149 155 HE2 TYR 21 1HE TYR 21 1.699 -1.775 -10.247 156 HH TYR 21 HH TYR 21 1.728 -3.814 -11.358 157 H GLU 22 H GLU 22 -0.401 0.670 -6.539 158 HA GLU 22 HA GLU 22 1.259 -1.503 -7.178 159 HB2 GLU 22 1HB GLU 22 2.621 0.427 -7.257 160 HB3 GLU 22 2HB GLU 22 1.261 1.254 -6.608 161 HG2 GLU 22 1HG GLU 22 3.132 1.715 -5.329 162 HG3 GLU 22 2HG GLU 22 2.079 0.773 -4.295 163 H CYS 23 H CYS 23 -0.231 -0.410 -4.035 164 HA CYS 23 HA CYS 23 1.410 -2.416 -2.623 165 HB2 CYS 23 1HB CYS 23 -0.185 -0.004 -1.719 166 HB3 CYS 23 2HB CYS 23 0.212 -1.305 -0.604 167 H THR 24 H THR 24 -1.399 -2.462 -4.358 168 HA THR 24 HA THR 24 -2.557 -4.334 -2.411 169 HB THR 24 HB THR 24 -4.773 -3.680 -3.016 170 HG1 THR 24 1HG THR 24 -3.714 -1.553 -4.517 171 HG21 THR 24 3HG2 THR 24 -3.795 -2.428 -1.175 172 HG22 THR 24 1HG2 THR 24 -3.029 -1.274 -2.270 173 HG23 THR 24 2HG2 THR 24 -4.780 -1.318 -2.160 174 H GLU 25 H GLU 25 -1.325 -4.033 -5.572 175 HA GLU 25 HA GLU 25 -2.630 -6.550 -6.466 176 HB2 GLU 25 1HB GLU 25 -3.575 -4.173 -7.135 177 HB3 GLU 25 2HB GLU 25 -2.213 -4.101 -8.212 178 HG2 GLU 25 1HG GLU 25 -2.997 -5.711 -9.637 179 HG3 GLU 25 2HG GLU 25 -3.770 -6.633 -8.354 180 H ASN 26 H ASN 26 0.013 -4.228 -6.919 181 HA ASN 26 HA ASN 26 1.540 -5.952 -8.723 182 HB2 ASN 26 1HB ASN 26 2.013 -3.590 -8.764 183 HB3 ASN 26 2HB ASN 26 2.413 -3.614 -7.036 184 HD21 ASN 26 1HD2 ASN 26 4.444 -2.748 -7.389 185 HD22 ASN 26 2HD2 ASN 26 5.774 -3.763 -7.922 186 H THR 27 H THR 27 1.558 -8.012 -7.739 187 HA THR 27 HA THR 27 2.255 -8.552 -5.092 188 HB THR 27 HB THR 27 2.531 -10.873 -5.904 189 HG1 THR 27 1HG THR 27 2.317 -11.323 -7.971 190 HG21 THR 27 3HG2 THR 27 0.103 -9.447 -7.104 191 HG22 THR 27 1HG2 THR 27 0.208 -11.124 -6.584 192 HG23 THR 27 2HG2 THR 27 0.284 -9.824 -5.382 193 H ALA 28 H ALA 28 4.451 -7.609 -7.595 194 HA ALA 28 HA ALA 28 6.789 -8.742 -6.417 195 HB1 ALA 28 1HB ALA 28 6.574 -6.286 -8.195 196 HB2 ALA 28 2HB ALA 28 8.005 -7.296 -7.916 197 HB3 ALA 28 3HB ALA 28 6.614 -7.976 -8.780 198 H ASN 29 H ASN 29 4.802 -6.210 -5.154 199 HA ASN 29 HA ASN 29 6.584 -6.351 -2.955 200 HB2 ASN 29 1HB ASN 29 7.589 -4.313 -2.662 201 HB3 ASN 29 2HB ASN 29 7.576 -4.363 -4.447 202 HD21 ASN 29 1HD2 ASN 29 5.315 -3.712 -5.303 203 HD22 ASN 29 2HD2 ASN 29 5.026 -2.064 -4.780 204 H CYS 30 H CYS 30 3.427 -6.069 -3.974 205 HA CYS 30 HA CYS 30 2.395 -4.380 -1.924 206 HB2 CYS 30 1HB CYS 30 0.248 -5.214 -2.511 207 HB3 CYS 30 2HB CYS 30 1.159 -4.894 -3.975 208 H GLY 31 H GLY 31 1.216 -4.906 -0.018 209 HA2 GLY 31 1HA GLY 31 0.468 -7.094 1.259 210 HA3 GLY 31 2HA GLY 31 2.225 -7.250 1.391 211 H THR 32 H THR 32 1.402 -7.090 3.792 212 HA THR 32 HA THR 32 0.318 -4.689 4.765 213 HB THR 32 HB THR 32 1.944 -6.808 6.227 214 HG1 THR 32 1HG THR 32 -0.205 -7.448 6.791 215 HG21 THR 32 3HG2 THR 32 0.073 -4.671 7.359 216 HG22 THR 32 1HG2 THR 32 0.771 -6.012 8.267 217 HG23 THR 32 2HG2 THR 32 1.826 -4.753 7.616 218 H ALA 33 H ALA 33 3.799 -5.662 4.544 219 HA ALA 33 HA ALA 33 4.794 -3.313 5.803 220 HB1 ALA 33 1HB ALA 33 6.214 -5.274 5.447 221 HB2 ALA 33 2HB ALA 33 6.092 -5.080 3.678 222 HB3 ALA 33 3HB ALA 33 6.930 -3.869 4.657 223 H CYS 34 H CYS 34 3.584 -3.864 2.532 224 HA CYS 34 HA CYS 34 4.771 -1.532 1.341 225 HB2 CYS 34 1HB CYS 34 3.714 -3.580 0.208 226 HB3 CYS 34 2HB CYS 34 2.154 -2.810 0.474 227 H CYS 35 H CYS 35 1.514 -2.264 2.651 228 HA CYS 35 HA CYS 35 0.434 0.346 2.387 229 HB2 CYS 35 1HB CYS 35 -0.178 -1.855 4.398 230 HB3 CYS 35 2HB CYS 35 -1.157 -0.411 4.165 231 H ASP 36 H ASP 36 2.188 -1.190 5.152 232 HA ASP 36 HA ASP 36 2.053 1.083 6.844 233 HB2 ASP 36 1HB ASP 36 3.524 -1.515 6.788 234 HB3 ASP 36 2HB ASP 36 4.278 -0.231 7.717 235 H SER 37 H SER 37 3.948 0.779 4.037 236 HA SER 37 HA SER 37 5.650 3.060 4.919 237 HB2 SER 37 1HB SER 37 6.278 0.676 3.181 238 HB3 SER 37 2HB SER 37 7.150 2.205 2.981 239 HG SER 37 HG SER 37 7.252 0.406 5.094 240 H CYS 38 H CYS 38 2.849 2.702 3.408 241 HA CYS 38 HA CYS 38 3.466 5.126 1.836 242 HB2 CYS 38 1HB CYS 38 2.856 2.644 0.547 243 HB3 CYS 38 2HB CYS 38 1.413 3.606 0.481 244 H PHE 39 H PHE 39 1.396 3.587 4.142 245 HA PHE 39 HA PHE 39 -0.462 5.833 3.954 246 HB2 PHE 39 1HB PHE 39 -1.240 2.887 3.861 247 HB3 PHE 39 2HB PHE 39 -2.343 4.211 4.198 248 HD1 PHE 39 1HD PHE 39 -2.729 6.021 2.456 249 HD2 PHE 39 2HD PHE 39 -0.755 2.281 1.562 250 HE1 PHE 39 1HE PHE 39 -3.328 6.252 0.054 251 HE2 PHE 39 2HE PHE 39 -1.560 2.405 -0.755 252 HZ PHE 39 HZ PHE 39 -2.814 4.428 -1.518 253 H GLU 40 H GLU 40 -1.497 6.230 5.917 254 HA GLU 40 HA GLU 40 -0.775 4.502 8.228 255 HB2 GLU 40 1HB GLU 40 -1.188 7.499 8.163 256 HB3 GLU 40 2HB GLU 40 -0.751 6.592 9.580 257 HG2 GLU 40 1HG GLU 40 1.021 6.730 7.142 258 HG3 GLU 40 2HG GLU 40 1.095 7.899 8.448 259 H LEU 41 H LEU 41 -2.280 4.851 10.072 260 HA LEU 41 HA LEU 41 -4.335 4.721 11.031 261 HB2 LEU 41 1HB LEU 41 -5.034 7.089 9.273 262 HB3 LEU 41 2HB LEU 41 -5.545 6.757 10.927 263 HG LEU 41 HG LEU 41 -2.803 7.644 9.920 264 HD11 LEU 41 1HD1 LEU 41 -3.226 9.708 10.994 265 HD12 LEU 41 2HD1 LEU 41 -4.573 9.335 9.923 266 HD13 LEU 41 3HD1 LEU 41 -4.770 9.123 11.683 267 HD21 LEU 41 3HD2 LEU 41 -2.125 7.903 12.273 268 HD22 LEU 41 1HD2 LEU 41 -3.650 7.136 12.787 269 HD23 LEU 41 2HD2 LEU 41 -2.433 6.209 11.878 270 H THR 42 H THR 42 -6.712 6.001 9.340 271 HA THR 42 HA THR 42 -7.918 3.577 8.603 272 HB THR 42 HB THR 42 -8.612 6.418 7.782 273 HG1 THR 42 1HG THR 42 -9.556 6.610 9.700 274 HG21 THR 42 3HG2 THR 42 -10.438 4.019 8.274 275 HG22 THR 42 1HG2 THR 42 -10.922 5.664 7.772 276 HG23 THR 42 2HG2 THR 42 -10.003 4.637 6.667 277 H GLY 43 H GLY 43 -5.701 5.697 6.794 278 HA2 GLY 43 1HA GLY 43 -6.374 4.778 4.142 279 HA3 GLY 43 2HA GLY 43 -4.898 5.610 4.668 280 H ASN 44 H ASN 44 -4.071 3.884 6.675 281 HA ASN 44 HA ASN 44 -2.678 1.829 5.320 282 HB2 ASN 44 1HB ASN 44 -1.918 2.794 7.430 283 HB3 ASN 44 2HB ASN 44 -3.241 2.000 8.294 284 HD21 ASN 44 1HD2 ASN 44 -0.219 1.531 6.508 285 HD22 ASN 44 2HD2 ASN 44 0.024 -0.107 7.135 286 H THR 45 H THR 45 -5.440 1.740 7.562 287 HA THR 45 HA THR 45 -6.226 -0.917 7.451 288 HB THR 45 HB THR 45 -8.088 1.467 7.385 289 HG1 THR 45 1HG THR 45 -6.477 1.714 9.068 290 HG21 THR 45 3HG2 THR 45 -8.545 -1.128 8.860 291 HG22 THR 45 1HG2 THR 45 -9.664 0.228 8.648 292 HG23 THR 45 2HG2 THR 45 -9.218 -0.764 7.260 293 H MET 46 H MET 46 -7.374 1.727 5.240 294 HA MET 46 HA MET 46 -9.023 0.040 3.677 295 HB2 MET 46 1HB MET 46 -7.719 2.714 3.081 296 HB3 MET 46 2HB MET 46 -8.866 1.944 1.985 297 HG2 MET 46 1HG MET 46 -9.817 2.165 4.779 298 HG3 MET 46 2HG MET 46 -9.400 3.697 4.039 299 HE1 MET 46 3HE MET 46 -12.939 0.997 2.919 300 HE2 MET 46 1HE MET 46 -11.286 0.355 3.008 301 HE3 MET 46 2HE MET 46 -12.067 1.005 4.467 302 H CYS 47 H CYS 47 -5.569 0.961 3.284 303 HA CYS 47 HA CYS 47 -5.104 -0.316 0.787 304 HB2 CYS 47 1HB CYS 47 -3.604 1.311 1.802 305 HB3 CYS 47 2HB CYS 47 -3.255 0.235 3.139 306 H LEU 48 H LEU 48 -4.606 -1.566 4.161 307 HA LEU 48 HA LEU 48 -3.851 -4.188 3.489 308 HB2 LEU 48 1HB LEU 48 -5.442 -3.123 5.863 309 HB3 LEU 48 2HB LEU 48 -4.796 -4.743 5.746 310 HG LEU 48 HG LEU 48 -3.145 -2.192 5.802 311 HD11 LEU 48 1HD1 LEU 48 -3.518 -4.387 7.881 312 HD12 LEU 48 2HD1 LEU 48 -2.444 -2.981 8.026 313 HD13 LEU 48 3HD1 LEU 48 -4.197 -2.746 7.967 314 HD21 LEU 48 3HD2 LEU 48 -1.199 -3.566 5.996 315 HD22 LEU 48 1HD2 LEU 48 -2.161 -5.062 5.844 316 HD23 LEU 48 2HD2 LEU 48 -1.994 -3.937 4.477 317 H LEU 49 H LEU 49 -7.110 -2.874 4.087 318 HA LEU 49 HA LEU 49 -8.632 -5.148 3.671 319 HB2 LEU 49 1HB LEU 49 -9.056 -2.257 3.606 320 HB3 LEU 49 2HB LEU 49 -10.030 -3.026 2.366 321 HG LEU 49 HG LEU 49 -10.029 -3.930 5.258 322 HD11 LEU 49 1HD1 LEU 49 -10.792 -1.599 5.118 323 HD12 LEU 49 2HD1 LEU 49 -11.922 -2.023 3.801 324 HD13 LEU 49 3HD1 LEU 49 -12.165 -2.668 5.426 325 HD21 LEU 49 3HD2 LEU 49 -12.061 -5.115 4.591 326 HD22 LEU 49 1HD2 LEU 49 -12.000 -4.385 2.963 327 HD23 LEU 49 2HD2 LEU 49 -10.791 -5.567 3.473 328 H GLN 50 H GLN 50 -7.213 -3.071 1.104 329 HA GLN 50 HA GLN 50 -8.549 -4.556 -1.024 330 HB2 GLN 50 1HB GLN 50 -7.871 -2.064 -0.973 331 HB3 GLN 50 2HB GLN 50 -6.234 -2.620 -1.182 332 HG2 GLN 50 1HG GLN 50 -7.024 -2.054 -3.362 333 HG3 GLN 50 2HG GLN 50 -7.017 -3.817 -3.315 334 HE21 GLN 50 1HE2 GLN 50 -8.629 -3.832 -5.085 335 HE22 GLN 50 2HE2 GLN 50 -10.302 -3.498 -4.680 336 H ALA 51 H ALA 51 -5.200 -4.280 0.306 337 HA ALA 51 HA ALA 51 -3.906 -5.937 -1.555 338 HB1 ALA 51 1HB ALA 51 -3.219 -5.526 1.394 339 HB2 ALA 51 2HB ALA 51 -2.112 -6.091 0.129 340 HB3 ALA 51 3HB ALA 51 -2.750 -4.436 0.073 341 H GLY 52 H GLY 52 -5.534 -6.809 1.499 342 HA2 GLY 52 1HA GLY 52 -5.146 -9.717 0.947 343 HA3 GLY 52 2HA GLY 52 -5.517 -8.957 2.494 344 H ALA 53 H ALA 53 -7.111 -8.268 -0.614 345 HA ALA 53 HA ALA 53 -9.609 -7.921 0.333 346 HB1 ALA 53 1HB ALA 53 -8.819 -9.087 -2.370 347 HB2 ALA 53 2HB ALA 53 -10.426 -8.432 -1.968 348 HB3 ALA 53 3HB ALA 53 -9.014 -7.377 -1.948 349 H ALA 54 H ALA 54 -8.883 -11.029 -1.339 350 HA ALA 54 HA ALA 54 -10.075 -12.570 0.759 351 HB1 ALA 54 1HB ALA 54 -11.453 -12.642 -1.948 352 HB2 ALA 54 2HB ALA 54 -11.900 -13.517 -0.463 353 HB3 ALA 54 3HB ALA 54 -12.102 -11.763 -0.533 354 H GLY 55 H GLY 55 -7.532 -12.458 -0.256 355 HA2 GLY 55 1HA GLY 55 -6.376 -14.716 -0.795 356 HA3 GLY 55 2HA GLY 55 -7.158 -14.488 -2.385 357 H SER 56 H SER 56 -6.659 -12.643 -3.652 358 HA SER 56 HA SER 56 -5.145 -11.396 -4.766 359 HB2 SER 56 1HB SER 56 -5.499 -9.926 -2.759 360 HB3 SER 56 2HB SER 56 -4.049 -10.631 -2.032 361 HG SER 56 HG SER 56 -3.712 -8.653 -3.068 362 H GLY 57 H GLY 57 -2.440 -10.912 -4.267 363 HA2 GLY 57 1HA GLY 57 -1.120 -13.538 -3.883 364 HA3 GLY 57 2HA GLY 57 -0.719 -12.584 -5.295 365 H CYS 58 H CYS 58 -1.482 -10.653 -2.530 366 HA CYS 58 HA CYS 58 1.221 -9.634 -2.323 367 HB2 CYS 58 1HB CYS 58 -1.273 -9.078 -0.667 368 HB3 CYS 58 2HB CYS 58 0.214 -8.139 -0.655 369 H ASP 59 H ASP 59 2.040 -9.239 0.088 370 HA ASP 59 HA ASP 59 1.823 -11.790 1.610 371 HB2 ASP 59 1HB ASP 59 4.072 -10.977 0.331 372 HB3 ASP 59 2HB ASP 59 4.327 -10.139 1.838 373 H MET 60 H MET 60 0.342 -11.289 3.137 374 HA MET 60 HA MET 60 0.701 -8.807 4.697 375 HB2 MET 60 1HB MET 60 -1.585 -10.819 4.696 376 HB3 MET 60 2HB MET 60 -1.446 -9.395 5.730 377 HG2 MET 60 1HG MET 60 -1.188 -8.099 3.454 378 HG3 MET 60 2HG MET 60 -1.959 -9.533 2.764 379 HE1 MET 60 3HE MET 60 -5.359 -9.654 4.767 380 HE2 MET 60 1HE MET 60 -4.201 -10.550 3.771 381 HE3 MET 60 2HE MET 60 -3.858 -10.259 5.494 382 H GLU 61 H GLU 61 2.332 -9.160 6.040 383 HA GLU 61 HA GLU 61 3.649 -10.047 7.680 384 HB2 GLU 61 1HB GLU 61 0.847 -9.788 8.763 385 HB3 GLU 61 2HB GLU 61 2.146 -10.349 9.828 386 HG2 GLU 61 1HG GLU 61 2.308 -7.761 8.289 387 HG3 GLU 61 2HG GLU 61 1.639 -7.890 9.915 Start of MODEL 2 1 H1 TYR 1 H TYR 1 -13.907 9.836 1.411 2 HA TYR 1 HA TYR 1 -12.338 9.918 3.172 3 HB2 TYR 1 1HB TYR 1 -12.972 7.995 4.396 4 HB3 TYR 1 2HB TYR 1 -12.541 6.908 3.080 5 HD1 TYR 1 1HD TYR 1 -10.825 9.667 5.036 6 HD2 TYR 1 2HD TYR 1 -10.537 5.664 3.371 7 HE1 TYR 1 1HE TYR 1 -8.471 9.517 5.755 8 HE2 TYR 1 2HE TYR 1 -8.251 5.531 4.124 9 HH TYR 1 HH TYR 1 -6.527 8.130 5.903 10 H ASN 2 H ASN 2 -11.447 7.094 1.132 11 HA ASN 2 HA ASN 2 -9.938 6.656 -0.320 12 HB2 ASN 2 1HB ASN 2 -9.825 9.565 -0.839 13 HB3 ASN 2 2HB ASN 2 -8.390 8.639 -1.203 14 HD21 ASN 2 1HD2 ASN 2 -8.355 8.258 -3.424 15 HD22 ASN 2 2HD2 ASN 2 -9.762 7.734 -4.292 16 HA PRO 3 HA PRO 3 -6.682 6.292 2.824 17 HB2 PRO 3 1HB PRO 3 -5.012 4.697 1.170 18 HB3 PRO 3 2HB PRO 3 -6.200 4.104 2.334 19 HG2 PRO 3 1HG PRO 3 -6.447 4.354 -0.607 20 HG3 PRO 3 2HG PRO 3 -7.262 3.216 0.527 21 HD2 PRO 3 1HD PRO 3 -8.543 5.273 -0.622 22 HD3 PRO 3 2HD PRO 3 -8.946 4.652 0.992 23 H GLU 4 H GLU 4 -6.293 7.482 -0.437 24 HA GLU 4 HA GLU 4 -3.648 8.457 -0.264 25 HB2 GLU 4 1HB GLU 4 -6.077 9.242 -1.896 26 HB3 GLU 4 2HB GLU 4 -4.473 9.917 -2.194 27 HG2 GLU 4 1HG GLU 4 -3.535 7.807 -2.792 28 HG3 GLU 4 2HG GLU 4 -4.873 6.899 -2.087 29 H ASP 5 H ASP 5 -6.268 9.434 1.630 30 HA ASP 5 HA ASP 5 -5.525 12.222 2.073 31 HB2 ASP 5 1HB ASP 5 -7.812 11.199 2.514 32 HB3 ASP 5 2HB ASP 5 -7.087 10.305 3.847 33 H ASP 6 H ASP 6 -4.510 9.057 3.257 34 HA ASP 6 HA ASP 6 -2.563 10.238 5.209 35 HB2 ASP 6 1HB ASP 6 -4.207 7.701 5.419 36 HB3 ASP 6 2HB ASP 6 -2.812 8.045 6.388 37 H TYR 7 H TYR 7 -2.491 9.624 2.282 38 HA TYR 7 HA TYR 7 -0.528 7.513 1.943 39 HB2 TYR 7 1HB TYR 7 -1.586 8.051 -0.045 40 HB3 TYR 7 2HB TYR 7 -1.615 9.780 0.299 41 HD1 TYR 7 2HD TYR 7 0.788 7.003 -0.482 42 HD2 TYR 7 1HD TYR 7 -0.094 11.214 -0.727 43 HE1 TYR 7 2HE TYR 7 2.695 7.323 -2.073 44 HE2 TYR 7 1HE TYR 7 1.822 11.548 -2.242 45 HH TYR 7 HH TYR 7 3.247 10.423 -3.685 46 H THR 8 H THR 8 1.647 7.684 2.405 47 HA THR 8 HA THR 8 2.647 10.329 3.322 48 HB THR 8 HB THR 8 4.170 9.020 4.738 49 HG1 THR 8 1HG THR 8 4.193 7.047 3.763 50 HG21 THR 8 3HG2 THR 8 2.468 8.594 6.392 51 HG22 THR 8 1HG2 THR 8 1.928 9.979 5.446 52 HG23 THR 8 2HG2 THR 8 1.218 8.393 5.148 53 HA PRO 9 HA PRO 9 5.051 9.559 -0.531 54 HB2 PRO 9 1HB PRO 9 5.757 12.204 -0.938 55 HB3 PRO 9 2HB PRO 9 4.273 11.453 -1.573 56 HG2 PRO 9 1HG PRO 9 4.614 13.160 0.882 57 HG3 PRO 9 2HG PRO 9 3.267 13.168 -0.300 58 HD2 PRO 9 1HD PRO 9 3.096 11.958 2.115 59 HD3 PRO 9 2HD PRO 9 2.278 11.287 0.684 60 H LEU 10 H LEU 10 5.855 11.311 2.450 61 HA LEU 10 HA LEU 10 8.543 11.662 2.405 62 HB2 LEU 10 1HB LEU 10 6.587 10.664 4.538 63 HB3 LEU 10 2HB LEU 10 8.284 10.946 4.879 64 HG LEU 10 HG LEU 10 8.068 13.256 4.049 65 HD11 LEU 10 1HD1 LEU 10 6.165 13.329 2.642 66 HD12 LEU 10 2HD1 LEU 10 5.109 12.663 3.928 67 HD13 LEU 10 3HD1 LEU 10 5.780 14.304 4.039 68 HD21 LEU 10 3HD2 LEU 10 6.267 12.541 6.385 69 HD22 LEU 10 1HD2 LEU 10 8.009 12.795 6.453 70 HD23 LEU 10 2HD2 LEU 10 6.941 14.144 6.052 71 H THR 11 H THR 11 6.776 8.601 3.002 72 HA THR 11 HA THR 11 9.298 7.084 3.099 73 HB THR 11 HB THR 11 7.593 5.614 4.516 74 HG1 THR 11 1HG THR 11 5.965 6.770 5.412 75 HG21 THR 11 3HG2 THR 11 9.607 6.749 5.407 76 HG22 THR 11 1HG2 THR 11 8.717 8.276 5.518 77 HG23 THR 11 2HG2 THR 11 8.247 6.901 6.535 78 H CYS 12 H CYS 12 6.659 7.656 1.048 79 HA CYS 12 HA CYS 12 6.377 4.859 0.325 80 HB2 CYS 12 1HB CYS 12 4.436 6.439 0.506 81 HB3 CYS 12 2HB CYS 12 4.985 7.191 -1.004 82 HA PRO 13 HA PRO 13 9.326 5.514 -3.105 83 HB2 PRO 13 1HB PRO 13 9.540 2.907 -3.920 84 HB3 PRO 13 2HB PRO 13 10.349 3.563 -2.471 85 HG2 PRO 13 1HG PRO 13 7.751 2.033 -2.622 86 HG3 PRO 13 2HG PRO 13 9.106 1.757 -1.502 87 HD2 PRO 13 1HD PRO 13 6.903 3.165 -0.811 88 HD3 PRO 13 2HD PRO 13 8.523 3.590 -0.186 89 H HIS 14 H HIS 14 6.136 5.502 -3.240 90 HA HIS 14 HA HIS 14 5.870 4.900 -6.134 91 HB2 HIS 14 1HB HIS 14 3.651 4.354 -4.210 92 HB3 HIS 14 2HB HIS 14 3.900 3.709 -5.826 93 HD1 HIS 14 1HD HIS 14 6.289 2.014 -5.887 94 HD2 HIS 14 2HD HIS 14 3.757 2.363 -2.556 95 HE1 HIS 14 1HE HIS 14 6.425 -0.126 -4.596 96 HE2 HIS 14 2HE HIS 14 4.962 0.066 -2.615 97 H THR 15 H THR 15 4.894 6.573 -7.191 98 HA THR 15 HA THR 15 4.300 8.973 -5.645 99 HB THR 15 HB THR 15 4.107 10.014 -7.812 100 HG1 THR 15 1HG THR 15 4.771 7.623 -9.166 101 HG21 THR 15 3HG2 THR 15 6.356 9.705 -6.949 102 HG22 THR 15 1HG2 THR 15 6.458 8.085 -7.650 103 HG23 THR 15 2HG2 THR 15 6.369 9.488 -8.711 104 H ILE 16 H ILE 16 2.198 10.129 -5.742 105 HA ILE 16 HA ILE 16 0.203 8.338 -4.999 106 HB ILE 16 HB ILE 16 0.532 10.742 -4.327 107 HG12 ILE 16 1HG1 ILE 16 -2.318 9.807 -4.870 108 HG13 ILE 16 2HG1 ILE 16 -1.307 9.379 -3.489 109 HG21 ILE 16 1HG2 ILE 16 -0.485 12.514 -5.526 110 HG22 ILE 16 2HG2 ILE 16 0.496 11.592 -6.687 111 HG23 ILE 16 3HG2 ILE 16 -1.272 11.404 -6.670 112 HD11 ILE 16 3HD1 ILE 16 -2.404 12.133 -4.164 113 HD12 ILE 16 1HD1 ILE 16 -2.741 11.137 -2.743 114 HD13 ILE 16 2HD1 ILE 16 -1.138 11.860 -2.941 115 H SER 17 H SER 17 1.012 9.413 -8.154 116 HA SER 17 HA SER 17 -1.416 9.054 -9.587 117 HB2 SER 17 1HB SER 17 0.628 10.167 -10.458 118 HB3 SER 17 2HB SER 17 1.489 8.622 -10.409 119 HG SER 17 HG SER 17 -0.484 9.559 -12.168 120 H VAL 18 H VAL 18 1.064 6.831 -8.335 121 HA VAL 18 HA VAL 18 -0.532 4.463 -9.195 122 HB VAL 18 HB VAL 18 1.314 3.393 -10.212 123 HG11 VAL 18 1HG1 VAL 18 1.417 6.210 -11.350 124 HG12 VAL 18 2HG1 VAL 18 1.765 4.684 -12.172 125 HG13 VAL 18 3HG1 VAL 18 0.111 5.041 -11.658 126 HG21 VAL 18 3HG2 VAL 18 3.521 4.898 -10.501 127 HG22 VAL 18 1HG2 VAL 18 2.955 5.530 -8.925 128 HG23 VAL 18 2HG2 VAL 18 3.278 3.787 -9.148 129 H VAL 19 H VAL 19 -0.373 5.627 -6.582 130 HA VAL 19 HA VAL 19 1.368 3.673 -5.198 131 HB VAL 19 HB VAL 19 1.396 5.907 -4.366 132 HG11 VAL 19 1HG1 VAL 19 -1.492 5.565 -3.435 133 HG12 VAL 19 2HG1 VAL 19 -0.437 6.946 -3.142 134 HG13 VAL 19 3HG1 VAL 19 -0.995 6.583 -4.779 135 HG21 VAL 19 3HG2 VAL 19 0.136 4.000 -2.348 136 HG22 VAL 19 1HG2 VAL 19 1.822 3.947 -2.873 137 HG23 VAL 19 2HG2 VAL 19 1.211 5.360 -1.993 138 H TRP 20 H TRP 20 -2.205 4.301 -5.308 139 HA TRP 20 HA TRP 20 -2.804 2.233 -3.515 140 HB2 TRP 20 1HB TRP 20 -4.407 3.958 -4.174 141 HB3 TRP 20 2HB TRP 20 -4.484 3.303 -5.809 142 HD1 TRP 20 HD TRP 20 -6.275 1.520 -6.234 143 HE1 TRP 20 1HE TRP 20 -7.917 0.177 -4.836 144 HE3 TRP 20 3HE TRP 20 -4.488 2.682 -1.548 145 HZ2 TRP 20 2HZ TRP 20 -8.414 -0.342 -2.009 146 HZ3 TRP 20 3HZ TRP 20 -5.492 1.670 0.423 147 HH2 TRP 20 HH TRP 20 -7.516 0.219 0.211 148 H TYR 21 H TYR 21 -2.980 2.033 -7.114 149 HA TYR 21 HA TYR 21 -3.488 -0.690 -7.408 150 HB2 TYR 21 1HB TYR 21 -3.485 0.494 -9.409 151 HB3 TYR 21 2HB TYR 21 -2.037 1.397 -8.993 152 HD1 TYR 21 1HD TYR 21 -3.169 -2.006 -10.108 153 HD2 TYR 21 2HD TYR 21 0.131 0.751 -9.687 154 HE1 TYR 21 1HE TYR 21 -1.725 -3.499 -11.458 155 HE2 TYR 21 2HE TYR 21 1.562 -0.747 -11.055 156 HH TYR 21 HH TYR 21 0.176 -3.415 -12.881 157 H GLU 22 H GLU 22 -0.221 0.878 -7.020 158 HA GLU 22 HA GLU 22 1.321 -1.450 -7.578 159 HB2 GLU 22 1HB GLU 22 2.690 0.454 -7.717 160 HB3 GLU 22 2HB GLU 22 1.436 1.306 -6.927 161 HG2 GLU 22 1HG GLU 22 3.429 1.563 -5.884 162 HG3 GLU 22 2HG GLU 22 2.284 0.923 -4.725 163 H CYS 23 H CYS 23 -0.099 -0.100 -4.494 164 HA CYS 23 HA CYS 23 1.653 -1.843 -2.934 165 HB2 CYS 23 1HB CYS 23 0.984 0.727 -2.627 166 HB3 CYS 23 2HB CYS 23 -0.425 0.060 -1.852 167 H THR 24 H THR 24 -1.406 -1.969 -4.427 168 HA THR 24 HA THR 24 -2.326 -3.877 -2.434 169 HB THR 24 HB THR 24 -4.539 -3.130 -2.590 170 HG1 THR 24 1HG THR 24 -3.633 -1.130 -4.384 171 HG21 THR 24 3HG2 THR 24 -2.760 -0.692 -2.160 172 HG22 THR 24 1HG2 THR 24 -4.433 -0.908 -1.605 173 HG23 THR 24 2HG2 THR 24 -3.150 -1.950 -0.966 174 H GLU 25 H GLU 25 -1.303 -3.705 -5.581 175 HA GLU 25 HA GLU 25 -2.868 -6.100 -6.327 176 HB2 GLU 25 1HB GLU 25 -3.661 -3.909 -7.360 177 HB3 GLU 25 2HB GLU 25 -2.165 -3.850 -8.259 178 HG2 GLU 25 1HG GLU 25 -3.650 -6.438 -8.392 179 HG3 GLU 25 2HG GLU 25 -4.464 -5.047 -9.107 180 H ASN 26 H ASN 26 -0.080 -4.076 -7.197 181 HA ASN 26 HA ASN 26 1.228 -6.017 -8.780 182 HB2 ASN 26 1HB ASN 26 1.606 -3.571 -8.878 183 HB3 ASN 26 2HB ASN 26 2.457 -3.659 -7.323 184 HD21 ASN 26 1HD2 ASN 26 4.173 -2.626 -8.556 185 HD22 ASN 26 2HD2 ASN 26 5.232 -3.575 -9.577 186 H THR 27 H THR 27 1.510 -8.051 -7.691 187 HA THR 27 HA THR 27 1.823 -8.248 -4.934 188 HB THR 27 HB THR 27 2.205 -10.622 -5.250 189 HG1 THR 27 1HG THR 27 2.378 -10.058 -8.022 190 HG21 THR 27 3HG2 THR 27 0.227 -11.246 -6.557 191 HG22 THR 27 1HG2 THR 27 -0.092 -9.899 -5.453 192 HG23 THR 27 2HG2 THR 27 0.103 -9.602 -7.193 193 H ALA 28 H ALA 28 4.327 -7.798 -7.251 194 HA ALA 28 HA ALA 28 6.571 -8.854 -5.926 195 HB1 ALA 28 1HB ALA 28 6.285 -6.338 -7.648 196 HB2 ALA 28 2HB ALA 28 7.799 -7.195 -7.315 197 HB3 ALA 28 3HB ALA 28 6.540 -7.989 -8.266 198 H ASN 29 H ASN 29 4.542 -6.191 -5.064 199 HA ASN 29 HA ASN 29 6.507 -5.242 -3.021 200 HB2 ASN 29 1HB ASN 29 4.588 -3.467 -4.537 201 HB3 ASN 29 2HB ASN 29 5.916 -2.968 -3.492 202 HD21 ASN 29 1HD2 ASN 29 5.253 -2.288 -6.302 203 HD22 ASN 29 2HD2 ASN 29 6.508 -2.856 -7.369 204 H CYS 30 H CYS 30 3.109 -5.287 -4.110 205 HA CYS 30 HA CYS 30 1.809 -4.164 -2.037 206 HB2 CYS 30 1HB CYS 30 0.461 -4.533 -3.779 207 HB3 CYS 30 2HB CYS 30 1.118 -6.113 -4.174 208 H GLY 31 H GLY 31 0.962 -4.612 -0.100 209 HA2 GLY 31 1HA GLY 31 0.144 -6.717 1.166 210 HA3 GLY 31 2HA GLY 31 1.887 -7.046 1.264 211 H THR 32 H THR 32 1.037 -6.936 3.580 212 HA THR 32 HA THR 32 0.158 -4.644 4.777 213 HB THR 32 HB THR 32 1.935 -6.695 6.154 214 HG1 THR 32 1HG THR 32 0.659 -8.025 5.464 215 HG21 THR 32 3HG2 THR 32 -0.498 -5.425 7.385 216 HG22 THR 32 1HG2 THR 32 0.841 -6.295 8.131 217 HG23 THR 32 2HG2 THR 32 1.112 -4.671 7.506 218 H ALA 33 H ALA 33 3.620 -5.536 4.364 219 HA ALA 33 HA ALA 33 4.558 -3.343 5.963 220 HB1 ALA 33 1HB ALA 33 5.896 -5.408 5.516 221 HB2 ALA 33 2HB ALA 33 6.008 -4.944 3.796 222 HB3 ALA 33 3HB ALA 33 6.765 -3.947 5.033 223 H CYS 34 H CYS 34 4.069 -3.743 2.417 224 HA CYS 34 HA CYS 34 5.051 -1.210 1.601 225 HB2 CYS 34 1HB CYS 34 4.443 -2.953 -0.001 226 HB3 CYS 34 2HB CYS 34 2.746 -2.854 0.461 227 H CYS 35 H CYS 35 1.743 -2.236 2.588 228 HA CYS 35 HA CYS 35 0.505 0.261 2.390 229 HB2 CYS 35 1HB CYS 35 -0.028 -2.048 4.289 230 HB3 CYS 35 2HB CYS 35 -1.059 -0.629 4.175 231 H ASP 36 H ASP 36 2.055 -1.132 5.377 232 HA ASP 36 HA ASP 36 1.596 1.266 6.892 233 HB2 ASP 36 1HB ASP 36 2.443 -1.368 7.381 234 HB3 ASP 36 2HB ASP 36 3.827 -0.411 7.803 235 H SER 37 H SER 37 3.818 0.820 4.490 236 HA SER 37 HA SER 37 5.678 2.933 5.497 237 HB2 SER 37 1HB SER 37 5.825 1.304 2.930 238 HB3 SER 37 2HB SER 37 7.083 2.337 3.624 239 HG SER 37 HG SER 37 6.129 -0.182 4.446 240 H CYS 38 H CYS 38 2.899 2.550 3.411 241 HA CYS 38 HA CYS 38 3.505 5.139 2.029 242 HB2 CYS 38 1HB CYS 38 2.195 2.579 1.091 243 HB3 CYS 38 2HB CYS 38 1.916 4.109 0.276 244 H PHE 39 H PHE 39 1.251 3.512 4.124 245 HA PHE 39 HA PHE 39 -0.673 5.704 3.912 246 HB2 PHE 39 1HB PHE 39 -1.334 2.743 3.679 247 HB3 PHE 39 2HB PHE 39 -2.497 4.019 3.936 248 HD1 PHE 39 1HD PHE 39 -2.591 5.937 2.196 249 HD2 PHE 39 2HD PHE 39 -0.788 2.101 1.453 250 HE1 PHE 39 1HE PHE 39 -3.045 6.174 -0.253 251 HE2 PHE 39 2HE PHE 39 -1.241 2.310 -0.943 252 HZ PHE 39 HZ PHE 39 -2.413 4.346 -1.799 253 H GLU 40 H GLU 40 -1.473 6.138 5.899 254 HA GLU 40 HA GLU 40 -0.720 4.310 8.145 255 HB2 GLU 40 1HB GLU 40 -0.905 7.315 8.259 256 HB3 GLU 40 2HB GLU 40 -0.211 6.205 9.460 257 HG2 GLU 40 1HG GLU 40 1.370 5.485 7.452 258 HG3 GLU 40 2HG GLU 40 0.876 7.052 6.807 259 H LEU 41 H LEU 41 -2.022 4.615 10.063 260 HA LEU 41 HA LEU 41 -4.000 4.540 11.162 261 HB2 LEU 41 1HB LEU 41 -4.449 7.122 9.618 262 HB3 LEU 41 2HB LEU 41 -5.210 6.685 11.146 263 HG LEU 41 HG LEU 41 -2.220 7.145 10.754 264 HD11 LEU 41 1HD1 LEU 41 -2.587 9.209 12.007 265 HD12 LEU 41 2HD1 LEU 41 -3.521 9.184 10.511 266 HD13 LEU 41 3HD1 LEU 41 -4.335 8.881 12.074 267 HD21 LEU 41 3HD2 LEU 41 -2.623 5.565 12.591 268 HD22 LEU 41 1HD2 LEU 41 -2.122 7.132 13.222 269 HD23 LEU 41 2HD2 LEU 41 -3.837 6.659 13.299 270 H THR 42 H THR 42 -6.409 6.033 9.614 271 HA THR 42 HA THR 42 -7.883 3.700 8.964 272 HB THR 42 HB THR 42 -8.141 6.650 8.281 273 HG1 THR 42 1HG THR 42 -8.378 5.806 10.472 274 HG21 THR 42 3HG2 THR 42 -9.460 5.311 6.584 275 HG22 THR 42 1HG2 THR 42 -10.356 4.614 7.929 276 HG23 THR 42 2HG2 THR 42 -10.426 6.366 7.628 277 H GLY 43 H GLY 43 -5.603 5.574 6.993 278 HA2 GLY 43 1HA GLY 43 -6.439 4.543 4.440 279 HA3 GLY 43 2HA GLY 43 -4.947 5.422 4.829 280 H ASN 44 H ASN 44 -4.085 3.699 6.947 281 HA ASN 44 HA ASN 44 -2.772 1.591 5.541 282 HB2 ASN 44 1HB ASN 44 -1.991 2.567 7.761 283 HB3 ASN 44 2HB ASN 44 -3.270 1.656 8.556 284 HD21 ASN 44 1HD2 ASN 44 -0.472 1.407 6.427 285 HD22 ASN 44 2HD2 ASN 44 -0.067 -0.256 6.868 286 H THR 45 H THR 45 -5.565 1.540 7.866 287 HA THR 45 HA THR 45 -6.176 -1.137 7.598 288 HB THR 45 HB THR 45 -8.458 0.798 7.566 289 HG1 THR 45 1HG THR 45 -6.810 0.555 9.845 290 HG21 THR 45 3HG2 THR 45 -7.851 -1.577 9.346 291 HG22 THR 45 1HG2 THR 45 -9.368 -0.651 9.326 292 HG23 THR 45 2HG2 THR 45 -8.884 -1.609 7.910 293 H MET 46 H MET 46 -7.438 1.539 5.426 294 HA MET 46 HA MET 46 -8.917 -0.308 3.830 295 HB2 MET 46 1HB MET 46 -7.900 2.480 3.076 296 HB3 MET 46 2HB MET 46 -8.899 1.441 2.046 297 HG2 MET 46 1HG MET 46 -10.423 1.259 4.169 298 HG3 MET 46 2HG MET 46 -9.584 2.726 4.676 299 HE1 MET 46 3HE MET 46 -12.654 2.475 4.516 300 HE2 MET 46 1HE MET 46 -11.756 3.939 4.970 301 HE3 MET 46 2HE MET 46 -13.075 4.040 3.786 302 H CYS 47 H CYS 47 -5.505 0.773 3.482 303 HA CYS 47 HA CYS 47 -4.998 -0.470 0.980 304 HB2 CYS 47 1HB CYS 47 -3.571 1.213 2.076 305 HB3 CYS 47 2HB CYS 47 -3.135 0.053 3.323 306 H LEU 48 H LEU 48 -4.568 -1.741 4.321 307 HA LEU 48 HA LEU 48 -3.661 -4.325 3.649 308 HB2 LEU 48 1HB LEU 48 -5.436 -3.380 5.958 309 HB3 LEU 48 2HB LEU 48 -4.656 -4.939 5.866 310 HG LEU 48 HG LEU 48 -3.278 -2.242 6.117 311 HD11 LEU 48 1HD1 LEU 48 -2.491 -3.152 8.258 312 HD12 LEU 48 2HD1 LEU 48 -4.253 -3.095 8.184 313 HD13 LEU 48 3HD1 LEU 48 -3.401 -4.648 7.969 314 HD21 LEU 48 3HD2 LEU 48 -1.172 -3.469 6.265 315 HD22 LEU 48 1HD2 LEU 48 -2.025 -4.964 5.768 316 HD23 LEU 48 2HD2 LEU 48 -1.897 -3.580 4.664 317 H LEU 49 H LEU 49 -6.972 -3.154 4.161 318 HA LEU 49 HA LEU 49 -8.289 -5.582 3.698 319 HB2 LEU 49 1HB LEU 49 -8.953 -2.838 4.194 320 HB3 LEU 49 2HB LEU 49 -9.872 -3.302 2.798 321 HG LEU 49 HG LEU 49 -9.762 -5.068 5.293 322 HD11 LEU 49 1HD1 LEU 49 -10.329 -2.854 6.062 323 HD12 LEU 49 2HD1 LEU 49 -11.616 -2.705 4.825 324 HD13 LEU 49 3HD1 LEU 49 -11.730 -3.917 6.139 325 HD21 LEU 49 3HD2 LEU 49 -11.926 -4.683 3.176 326 HD22 LEU 49 1HD2 LEU 49 -10.805 -6.057 3.282 327 HD23 LEU 49 2HD2 LEU 49 -11.990 -5.796 4.566 328 H GLN 50 H GLN 50 -7.150 -3.244 1.277 329 HA GLN 50 HA GLN 50 -8.421 -4.706 -0.915 330 HB2 GLN 50 1HB GLN 50 -7.877 -2.283 -0.988 331 HB3 GLN 50 2HB GLN 50 -6.164 -2.670 -0.956 332 HG2 GLN 50 1HG GLN 50 -6.752 -2.219 -3.232 333 HG3 GLN 50 2HG GLN 50 -6.461 -3.955 -3.112 334 HE21 GLN 50 1HE2 GLN 50 -7.728 -4.605 -4.872 335 HE22 GLN 50 2HE2 GLN 50 -9.488 -4.506 -4.813 336 H ALA 51 H ALA 51 -5.011 -4.458 0.359 337 HA ALA 51 HA ALA 51 -3.932 -6.184 -1.626 338 HB1 ALA 51 1HB ALA 51 -2.538 -4.591 -0.387 339 HB2 ALA 51 2HB ALA 51 -2.840 -5.483 1.130 340 HB3 ALA 51 3HB ALA 51 -1.927 -6.226 -0.201 341 H GLY 52 H GLY 52 -4.770 -6.973 1.822 342 HA2 GLY 52 1HA GLY 52 -4.265 -9.833 1.334 343 HA3 GLY 52 2HA GLY 52 -4.670 -9.068 2.857 344 H ALA 53 H ALA 53 -6.678 -8.362 0.045 345 HA ALA 53 HA ALA 53 -9.058 -9.164 1.352 346 HB1 ALA 53 1HB ALA 53 -8.568 -8.623 -1.618 347 HB2 ALA 53 2HB ALA 53 -10.150 -8.697 -0.801 348 HB3 ALA 53 3HB ALA 53 -8.996 -7.431 -0.391 349 H ALA 54 H ALA 54 -8.267 -10.549 -1.868 350 HA ALA 54 HA ALA 54 -8.003 -13.261 -1.105 351 HB1 ALA 54 1HB ALA 54 -10.097 -14.035 -2.155 352 HB2 ALA 54 2HB ALA 54 -10.476 -12.996 -0.765 353 HB3 ALA 54 3HB ALA 54 -10.616 -12.357 -2.419 354 H GLY 55 H GLY 55 -7.591 -14.486 -3.048 355 HA2 GLY 55 1HA GLY 55 -6.980 -14.918 -5.200 356 HA3 GLY 55 2HA GLY 55 -7.595 -13.341 -5.707 357 H SER 56 H SER 56 -6.027 -11.856 -3.756 358 HA SER 56 HA SER 56 -4.378 -10.733 -5.409 359 HB2 SER 56 1HB SER 56 -3.318 -9.704 -3.312 360 HB3 SER 56 2HB SER 56 -5.074 -9.601 -3.554 361 HG SER 56 HG SER 56 -4.438 -10.103 -1.464 362 H GLY 57 H GLY 57 -2.959 -13.016 -2.951 363 HA2 GLY 57 1HA GLY 57 -0.925 -14.165 -3.101 364 HA3 GLY 57 2HA GLY 57 -0.692 -13.546 -4.741 365 H CYS 58 H CYS 58 -1.447 -11.333 -2.124 366 HA CYS 58 HA CYS 58 1.272 -10.123 -2.194 367 HB2 CYS 58 1HB CYS 58 -1.429 -9.116 -1.233 368 HB3 CYS 58 2HB CYS 58 0.088 -8.265 -1.017 369 H ASP 59 H ASP 59 2.056 -9.347 -0.039 370 HA ASP 59 HA ASP 59 2.094 -11.431 1.944 371 HB2 ASP 59 1HB ASP 59 3.338 -8.762 1.382 372 HB3 ASP 59 2HB ASP 59 3.161 -9.155 3.069 373 H MET 60 H MET 60 0.476 -11.705 3.547 374 HA MET 60 HA MET 60 -0.806 -9.259 4.585 375 HB2 MET 60 1HB MET 60 -2.940 -10.506 4.852 376 HB3 MET 60 2HB MET 60 -2.522 -10.010 3.216 377 HG2 MET 60 1HG MET 60 -1.825 -12.248 2.654 378 HG3 MET 60 2HG MET 60 -2.135 -12.813 4.312 379 HE1 MET 60 3HE MET 60 -4.940 -14.671 2.343 380 HE2 MET 60 1HE MET 60 -3.235 -14.429 1.896 381 HE3 MET 60 2HE MET 60 -3.671 -14.809 3.578 382 H GLU 61 H GLU 61 -0.792 -9.117 6.723 383 HA GLU 61 HA GLU 61 -0.501 -11.604 8.339 384 HB2 GLU 61 1HB GLU 61 0.040 -10.329 10.184 385 HB3 GLU 61 2HB GLU 61 0.892 -9.499 8.896 386 HG2 GLU 61 1HG GLU 61 -0.748 -7.722 8.847 387 HG3 GLU 61 2HG GLU 61 -1.806 -8.586 9.970 Start of MODEL 3 1 H1 TYR 1 H TYR 1 -14.468 8.269 0.947 2 HA TYR 1 HA TYR 1 -13.266 8.656 3.009 3 HB2 TYR 1 1HB TYR 1 -13.304 6.456 3.931 4 HB3 TYR 1 2HB TYR 1 -12.386 5.796 2.601 5 HD1 TYR 1 1HD TYR 1 -11.974 8.631 5.138 6 HD2 TYR 1 2HD TYR 1 -10.111 5.392 2.968 7 HE1 TYR 1 1HE TYR 1 -9.892 8.976 6.397 8 HE2 TYR 1 2HE TYR 1 -8.129 5.608 4.380 9 HH TYR 1 HH TYR 1 -7.281 8.314 6.259 10 H ASN 2 H ASN 2 -11.560 6.625 0.536 11 HA ASN 2 HA ASN 2 -9.971 6.941 -0.851 12 HB2 ASN 2 1HB ASN 2 -10.412 9.861 -0.513 13 HB3 ASN 2 2HB ASN 2 -8.926 9.235 -1.253 14 HD21 ASN 2 1HD2 ASN 2 -10.040 10.690 -2.893 15 HD22 ASN 2 2HD2 ASN 2 -11.045 9.800 -4.037 16 HA PRO 3 HA PRO 3 -7.161 6.392 2.681 17 HB2 PRO 3 1HB PRO 3 -5.325 4.803 1.245 18 HB3 PRO 3 2HB PRO 3 -6.723 4.188 2.138 19 HG2 PRO 3 1HG PRO 3 -6.481 4.703 -0.798 20 HG3 PRO 3 2HG PRO 3 -7.414 3.429 0.089 21 HD2 PRO 3 1HD PRO 3 -8.607 5.526 -1.016 22 HD3 PRO 3 2HD PRO 3 -9.182 4.769 0.518 23 H GLU 4 H GLU 4 -6.441 7.664 -0.504 24 HA GLU 4 HA GLU 4 -3.820 8.479 -0.029 25 HB2 GLU 4 1HB GLU 4 -5.983 9.400 -1.901 26 HB3 GLU 4 2HB GLU 4 -4.353 10.055 -1.983 27 HG2 GLU 4 1HG GLU 4 -3.362 7.941 -2.497 28 HG3 GLU 4 2HG GLU 4 -4.822 7.052 -2.064 29 H ASP 5 H ASP 5 -6.597 9.687 1.574 30 HA ASP 5 HA ASP 5 -5.687 12.388 2.100 31 HB2 ASP 5 1HB ASP 5 -7.589 10.447 3.414 32 HB3 ASP 5 2HB ASP 5 -6.995 11.814 4.346 33 H ASP 6 H ASP 6 -5.058 9.186 3.550 34 HA ASP 6 HA ASP 6 -3.004 10.348 5.385 35 HB2 ASP 6 1HB ASP 6 -4.570 7.767 5.561 36 HB3 ASP 6 2HB ASP 6 -3.205 8.182 6.585 37 H TYR 7 H TYR 7 -2.850 9.838 2.474 38 HA TYR 7 HA TYR 7 -0.817 7.891 1.885 39 HB2 TYR 7 1HB TYR 7 -2.014 9.227 0.181 40 HB3 TYR 7 2HB TYR 7 -1.425 10.716 0.888 41 HD1 TYR 7 2HD TYR 7 0.002 7.459 -0.456 42 HD2 TYR 7 1HD TYR 7 0.185 11.800 -0.397 43 HE1 TYR 7 2HE TYR 7 1.653 7.458 -2.209 44 HE2 TYR 7 1HE TYR 7 1.998 11.733 -2.099 45 HH TYR 7 HH TYR 7 3.417 8.642 -3.176 46 H THR 8 H THR 8 1.325 7.941 2.488 47 HA THR 8 HA THR 8 2.425 10.582 3.247 48 HB THR 8 HB THR 8 3.642 9.939 4.922 49 HG1 THR 8 1HG THR 8 4.010 7.274 4.106 50 HG21 THR 8 3HG2 THR 8 1.411 9.061 5.643 51 HG22 THR 8 1HG2 THR 8 1.876 7.454 5.075 52 HG23 THR 8 2HG2 THR 8 2.776 8.218 6.391 53 HA PRO 9 HA PRO 9 4.565 9.378 -0.591 54 HB2 PRO 9 1HB PRO 9 5.909 11.877 -0.681 55 HB3 PRO 9 2HB PRO 9 4.528 11.368 -1.682 56 HG2 PRO 9 1HG PRO 9 4.544 13.336 0.469 57 HG3 PRO 9 2HG PRO 9 3.196 12.869 -0.581 58 HD2 PRO 9 1HD PRO 9 3.682 12.128 2.187 59 HD3 PRO 9 2HD PRO 9 2.262 11.767 1.179 60 H LEU 10 H LEU 10 5.748 11.081 2.320 61 HA LEU 10 HA LEU 10 8.376 11.080 1.831 62 HB2 LEU 10 1HB LEU 10 6.785 11.151 4.407 63 HB3 LEU 10 2HB LEU 10 8.545 11.264 4.406 64 HG LEU 10 HG LEU 10 8.365 13.131 2.735 65 HD11 LEU 10 1HD1 LEU 10 6.248 14.489 2.822 66 HD12 LEU 10 2HD1 LEU 10 6.177 13.003 1.898 67 HD13 LEU 10 3HD1 LEU 10 5.439 13.079 3.530 68 HD21 LEU 10 3HD2 LEU 10 8.909 13.552 5.092 69 HD22 LEU 10 1HD2 LEU 10 7.912 14.856 4.463 70 HD23 LEU 10 2HD2 LEU 10 7.182 13.621 5.508 71 H THR 11 H THR 11 6.628 8.297 3.248 72 HA THR 11 HA THR 11 9.245 6.861 3.202 73 HB THR 11 HB THR 11 8.202 5.427 5.021 74 HG1 THR 11 1HG THR 11 6.035 6.274 4.842 75 HG21 THR 11 3HG2 THR 11 8.826 8.361 5.607 76 HG22 THR 11 1HG2 THR 11 8.840 7.046 6.782 77 HG23 THR 11 2HG2 THR 11 10.003 7.039 5.450 78 H CYS 12 H CYS 12 7.140 7.283 0.996 79 HA CYS 12 HA CYS 12 6.557 4.379 0.688 80 HB2 CYS 12 1HB CYS 12 4.716 5.939 0.574 81 HB3 CYS 12 2HB CYS 12 5.296 6.596 -0.928 82 HA PRO 13 HA PRO 13 9.698 4.355 -2.573 83 HB2 PRO 13 1HB PRO 13 9.033 1.846 -3.581 84 HB3 PRO 13 2HB PRO 13 10.128 2.158 -2.219 85 HG2 PRO 13 1HG PRO 13 7.234 1.353 -2.169 86 HG3 PRO 13 2HG PRO 13 8.586 0.795 -1.108 87 HD2 PRO 13 1HD PRO 13 6.792 2.642 -0.323 88 HD3 PRO 13 2HD PRO 13 8.508 2.752 0.186 89 H HIS 14 H HIS 14 6.520 5.045 -2.984 90 HA HIS 14 HA HIS 14 6.409 4.483 -5.903 91 HB2 HIS 14 1HB HIS 14 4.109 4.231 -3.910 92 HB3 HIS 14 2HB HIS 14 4.063 3.809 -5.586 93 HD1 HIS 14 1HD HIS 14 6.213 2.046 -6.165 94 HD2 HIS 14 2HD HIS 14 4.041 1.941 -2.599 95 HE1 HIS 14 1HE HIS 14 5.781 -0.294 -5.653 96 HE2 HIS 14 2HE HIS 14 4.853 -0.486 -3.306 97 H THR 15 H THR 15 4.107 5.773 -6.640 98 HA THR 15 HA THR 15 4.404 8.582 -5.725 99 HB THR 15 HB THR 15 4.050 9.294 -7.994 100 HG1 THR 15 1HG THR 15 4.073 7.502 -9.636 101 HG21 THR 15 3HG2 THR 15 6.079 8.600 -9.113 102 HG22 THR 15 1HG2 THR 15 6.419 8.711 -7.367 103 HG23 THR 15 2HG2 THR 15 6.183 7.117 -8.135 104 H ILE 16 H ILE 16 2.315 9.728 -5.728 105 HA ILE 16 HA ILE 16 0.131 8.104 -4.991 106 HB ILE 16 HB ILE 16 0.646 10.553 -4.459 107 HG12 ILE 16 1HG1 ILE 16 -2.236 9.752 -5.011 108 HG13 ILE 16 2HG1 ILE 16 -1.276 9.284 -3.603 109 HG21 ILE 16 1HG2 ILE 16 -0.311 12.284 -5.807 110 HG22 ILE 16 2HG2 ILE 16 0.688 11.272 -6.870 111 HG23 ILE 16 3HG2 ILE 16 -1.085 11.105 -6.889 112 HD11 ILE 16 3HD1 ILE 16 -2.637 11.132 -2.930 113 HD12 ILE 16 1HD1 ILE 16 -0.981 11.738 -3.050 114 HD13 ILE 16 2HD1 ILE 16 -2.160 12.102 -4.333 115 H SER 17 H SER 17 1.329 8.725 -8.145 116 HA SER 17 HA SER 17 -1.125 8.578 -9.589 117 HB2 SER 17 1HB SER 17 1.848 8.531 -10.280 118 HB3 SER 17 2HB SER 17 0.540 8.614 -11.455 119 HG SER 17 HG SER 17 1.119 10.730 -10.989 120 H VAL 18 H VAL 18 0.785 6.204 -8.056 121 HA VAL 18 HA VAL 18 -0.889 4.174 -9.440 122 HB VAL 18 HB VAL 18 1.138 2.568 -9.315 123 HG11 VAL 18 1HG1 VAL 18 0.079 3.326 -11.400 124 HG12 VAL 18 2HG1 VAL 18 1.254 4.677 -11.436 125 HG13 VAL 18 3HG1 VAL 18 1.828 2.985 -11.520 126 HG21 VAL 18 3HG2 VAL 18 2.640 4.182 -8.089 127 HG22 VAL 18 1HG2 VAL 18 3.346 3.459 -9.548 128 HG23 VAL 18 2HG2 VAL 18 2.752 5.117 -9.592 129 H VAL 19 H VAL 19 0.410 5.387 -6.448 130 HA VAL 19 HA VAL 19 1.187 3.127 -5.289 131 HB VAL 19 HB VAL 19 1.459 5.401 -4.314 132 HG11 VAL 19 1HG1 VAL 19 -0.295 6.543 -3.032 133 HG12 VAL 19 2HG1 VAL 19 -0.899 6.221 -4.660 134 HG13 VAL 19 3HG1 VAL 19 -1.426 5.229 -3.310 135 HG21 VAL 19 3HG2 VAL 19 0.242 3.568 -2.242 136 HG22 VAL 19 1HG2 VAL 19 1.900 3.489 -2.852 137 HG23 VAL 19 2HG2 VAL 19 1.347 4.915 -1.966 138 H TRP 20 H TRP 20 -2.331 3.999 -5.324 139 HA TRP 20 HA TRP 20 -3.078 1.985 -3.466 140 HB2 TRP 20 1HB TRP 20 -4.601 3.749 -4.280 141 HB3 TRP 20 2HB TRP 20 -4.636 2.988 -5.866 142 HD1 TRP 20 HD TRP 20 -6.424 1.197 -6.227 143 HE1 TRP 20 1HE TRP 20 -8.091 -0.085 -4.797 144 HE3 TRP 20 3HE TRP 20 -4.764 2.619 -1.569 145 HZ2 TRP 20 2HZ TRP 20 -8.694 -0.389 -1.939 146 HZ3 TRP 20 3HZ TRP 20 -5.798 1.681 0.435 147 HH2 TRP 20 HH TRP 20 -7.836 0.246 0.248 148 H TYR 21 H TYR 21 -2.991 1.767 -7.072 149 HA TYR 21 HA TYR 21 -3.303 -1.054 -7.256 150 HB2 TYR 21 1HB TYR 21 -3.470 0.324 -9.230 151 HB3 TYR 21 2HB TYR 21 -1.855 0.958 -9.021 152 HD1 TYR 21 2HD TYR 21 0.165 -0.405 -9.570 153 HD2 TYR 21 1HD TYR 21 -3.833 -1.924 -10.140 154 HE1 TYR 21 2HE TYR 21 1.061 -2.254 -10.962 155 HE2 TYR 21 1HE TYR 21 -2.953 -3.750 -11.547 156 HH TYR 21 HH TYR 21 -1.074 -4.619 -12.598 157 H GLU 22 H GLU 22 -0.259 0.959 -6.798 158 HA GLU 22 HA GLU 22 1.209 -1.396 -7.358 159 HB2 GLU 22 1HB GLU 22 2.429 0.138 -8.247 160 HB3 GLU 22 2HB GLU 22 1.546 1.405 -7.494 161 HG2 GLU 22 1HG GLU 22 2.713 1.927 -5.958 162 HG3 GLU 22 2HG GLU 22 3.433 0.422 -5.694 163 H CYS 23 H CYS 23 -0.036 -0.100 -4.469 164 HA CYS 23 HA CYS 23 1.743 -1.673 -2.715 165 HB2 CYS 23 1HB CYS 23 0.969 0.900 -2.530 166 HB3 CYS 23 2HB CYS 23 -0.410 0.182 -1.748 167 H THR 24 H THR 24 -1.397 -1.862 -4.254 168 HA THR 24 HA THR 24 -2.099 -3.906 -2.283 169 HB THR 24 HB THR 24 -4.355 -3.260 -2.197 170 HG1 THR 24 1HG THR 24 -3.726 -1.245 -4.080 171 HG21 THR 24 3HG2 THR 24 -2.673 -0.717 -1.948 172 HG22 THR 24 1HG2 THR 24 -4.301 -0.979 -1.284 173 HG23 THR 24 2HG2 THR 24 -2.938 -1.969 -0.701 174 H GLU 25 H GLU 25 -1.425 -3.513 -5.514 175 HA GLU 25 HA GLU 25 -3.007 -5.909 -6.224 176 HB2 GLU 25 1HB GLU 25 -3.809 -3.513 -7.035 177 HB3 GLU 25 2HB GLU 25 -2.513 -3.685 -8.202 178 HG2 GLU 25 1HG GLU 25 -3.438 -5.762 -9.053 179 HG3 GLU 25 2HG GLU 25 -4.639 -5.815 -7.771 180 H ASN 26 H ASN 26 -0.241 -3.840 -7.121 181 HA ASN 26 HA ASN 26 1.012 -5.649 -8.935 182 HB2 ASN 26 1HB ASN 26 1.538 -3.260 -8.848 183 HB3 ASN 26 2HB ASN 26 2.215 -3.481 -7.212 184 HD21 ASN 26 1HD2 ASN 26 4.096 -2.418 -8.270 185 HD22 ASN 26 2HD2 ASN 26 5.325 -3.526 -8.857 186 H THR 27 H THR 27 1.039 -7.725 -8.026 187 HA THR 27 HA THR 27 1.666 -8.519 -5.513 188 HB THR 27 HB THR 27 1.948 -10.728 -6.403 189 HG1 THR 27 1HG THR 27 2.417 -9.399 -8.881 190 HG21 THR 27 3HG2 THR 27 -0.330 -9.542 -6.496 191 HG22 THR 27 1HG2 THR 27 -0.059 -9.359 -8.244 192 HG23 THR 27 2HG2 THR 27 -0.131 -10.971 -7.508 193 H ALA 28 H ALA 28 4.058 -7.747 -7.980 194 HA ALA 28 HA ALA 28 6.338 -8.876 -6.771 195 HB1 ALA 28 1HB ALA 28 7.570 -7.325 -8.241 196 HB2 ALA 28 2HB ALA 28 6.231 -8.103 -9.096 197 HB3 ALA 28 3HB ALA 28 6.073 -6.413 -8.547 198 H ASN 29 H ASN 29 4.477 -6.268 -5.450 199 HA ASN 29 HA ASN 29 6.539 -6.131 -3.390 200 HB2 ASN 29 1HB ASN 29 7.136 -3.895 -3.425 201 HB3 ASN 29 2HB ASN 29 7.012 -4.206 -5.171 202 HD21 ASN 29 1HD2 ASN 29 5.257 -3.559 -6.368 203 HD22 ASN 29 2HD2 ASN 29 4.056 -2.499 -5.630 204 H CYS 30 H CYS 30 3.199 -5.662 -4.373 205 HA CYS 30 HA CYS 30 2.390 -3.952 -2.299 206 HB2 CYS 30 1HB CYS 30 0.146 -4.692 -2.814 207 HB3 CYS 30 2HB CYS 30 1.054 -4.344 -4.291 208 H GLY 31 H GLY 31 1.399 -4.322 -0.217 209 HA2 GLY 31 1HA GLY 31 0.782 -6.644 1.047 210 HA3 GLY 31 2HA GLY 31 2.560 -6.644 1.056 211 H THR 32 H THR 32 1.592 -6.730 3.425 212 HA THR 32 HA THR 32 0.601 -4.503 4.734 213 HB THR 32 HB THR 32 2.352 -6.785 5.707 214 HG1 THR 32 1HG THR 32 0.170 -7.390 6.484 215 HG21 THR 32 3HG2 THR 32 0.686 -4.867 7.388 216 HG22 THR 32 1HG2 THR 32 1.429 -6.359 7.971 217 HG23 THR 32 2HG2 THR 32 2.453 -5.026 7.432 218 H ALA 33 H ALA 33 4.087 -5.284 4.163 219 HA ALA 33 HA ALA 33 4.978 -3.079 5.797 220 HB1 ALA 33 1HB ALA 33 6.457 -4.564 3.584 221 HB2 ALA 33 2HB ALA 33 7.177 -3.514 4.820 222 HB3 ALA 33 3HB ALA 33 6.404 -5.032 5.305 223 H CYS 34 H CYS 34 4.199 -3.401 2.329 224 HA CYS 34 HA CYS 34 5.103 -0.765 1.570 225 HB2 CYS 34 1HB CYS 34 4.571 -2.499 -0.104 226 HB3 CYS 34 2HB CYS 34 2.875 -2.472 0.380 227 H CYS 35 H CYS 35 1.890 -2.067 2.561 228 HA CYS 35 HA CYS 35 0.533 0.399 2.554 229 HB2 CYS 35 1HB CYS 35 0.076 -2.143 4.158 230 HB3 CYS 35 2HB CYS 35 -1.026 -0.775 4.186 231 H ASP 36 H ASP 36 2.705 -0.939 5.044 232 HA ASP 36 HA ASP 36 1.698 0.714 7.116 233 HB2 ASP 36 1HB ASP 36 3.284 -1.446 7.184 234 HB3 ASP 36 2HB ASP 36 4.564 -0.243 7.159 235 H SER 37 H SER 37 4.025 1.357 4.646 236 HA SER 37 HA SER 37 4.844 3.879 6.042 237 HB2 SER 37 1HB SER 37 6.341 2.174 4.025 238 HB3 SER 37 2HB SER 37 6.925 3.682 4.759 239 HG SER 37 HG SER 37 7.049 1.212 5.757 240 H CYS 38 H CYS 38 3.236 2.678 3.178 241 HA CYS 38 HA CYS 38 3.409 5.303 1.866 242 HB2 CYS 38 1HB CYS 38 1.757 2.869 1.152 243 HB3 CYS 38 2HB CYS 38 1.972 4.244 0.162 244 H PHE 39 H PHE 39 1.393 3.855 4.285 245 HA PHE 39 HA PHE 39 -0.598 5.976 3.981 246 HB2 PHE 39 1HB PHE 39 -1.098 2.970 3.931 247 HB3 PHE 39 2HB PHE 39 -2.323 4.120 4.322 248 HD1 PHE 39 1HD PHE 39 -2.761 6.046 2.478 249 HD2 PHE 39 2HD PHE 39 -0.742 2.316 1.702 250 HE1 PHE 39 1HE PHE 39 -3.280 6.253 0.077 251 HE2 PHE 39 2HE PHE 39 -1.311 2.491 -0.683 252 HZ PHE 39 HZ PHE 39 -2.596 4.472 -1.499 253 H GLU 40 H GLU 40 -1.679 6.333 6.022 254 HA GLU 40 HA GLU 40 -0.709 4.702 8.316 255 HB2 GLU 40 1HB GLU 40 -1.184 7.690 8.320 256 HB3 GLU 40 2HB GLU 40 -0.596 6.706 9.669 257 HG2 GLU 40 1HG GLU 40 1.290 6.184 7.703 258 HG3 GLU 40 2HG GLU 40 0.775 7.844 7.387 259 H LEU 41 H LEU 41 -2.187 4.991 10.207 260 HA LEU 41 HA LEU 41 -4.227 4.698 11.180 261 HB2 LEU 41 1HB LEU 41 -4.871 7.200 9.590 262 HB3 LEU 41 2HB LEU 41 -5.546 6.713 11.148 263 HG LEU 41 HG LEU 41 -2.638 7.498 10.641 264 HD11 LEU 41 1HD1 LEU 41 -4.133 9.370 10.391 265 HD12 LEU 41 2HD1 LEU 41 -4.868 9.049 11.987 266 HD13 LEU 41 3HD1 LEU 41 -3.160 9.530 11.854 267 HD21 LEU 41 3HD2 LEU 41 -2.449 7.577 13.097 268 HD22 LEU 41 1HD2 LEU 41 -4.091 6.894 13.246 269 HD23 LEU 41 2HD2 LEU 41 -2.770 5.939 12.518 270 H THR 42 H THR 42 -6.720 5.965 9.568 271 HA THR 42 HA THR 42 -7.755 3.439 8.827 272 HB THR 42 HB THR 42 -8.726 6.219 8.065 273 HG1 THR 42 1HG THR 42 -8.720 6.203 10.161 274 HG21 THR 42 3HG2 THR 42 -10.971 5.168 8.008 275 HG22 THR 42 1HG2 THR 42 -9.919 4.539 6.733 276 HG23 THR 42 2HG2 THR 42 -10.212 3.566 8.201 277 H GLY 43 H GLY 43 -5.736 5.658 6.955 278 HA2 GLY 43 1HA GLY 43 -6.319 4.643 4.323 279 HA3 GLY 43 2HA GLY 43 -4.875 5.526 4.852 280 H ASN 44 H ASN 44 -4.018 3.846 6.900 281 HA ASN 44 HA ASN 44 -2.515 1.858 5.530 282 HB2 ASN 44 1HB ASN 44 -1.629 2.804 7.544 283 HB3 ASN 44 2HB ASN 44 -3.026 2.298 8.494 284 HD21 ASN 44 1HD2 ASN 44 -0.594 0.880 6.280 285 HD22 ASN 44 2HD2 ASN 44 -0.402 -0.600 7.247 286 H THR 45 H THR 45 -5.271 1.563 7.849 287 HA THR 45 HA THR 45 -5.797 -1.124 7.545 288 HB THR 45 HB THR 45 -7.656 1.192 7.866 289 HG1 THR 45 1HG THR 45 -6.953 1.026 9.942 290 HG21 THR 45 3HG2 THR 45 -9.080 -0.683 7.241 291 HG22 THR 45 1HG2 THR 45 -8.336 -1.682 8.514 292 HG23 THR 45 2HG2 THR 45 -9.305 -0.253 8.928 293 H MET 46 H MET 46 -7.170 1.527 5.416 294 HA MET 46 HA MET 46 -8.728 -0.373 3.947 295 HB2 MET 46 1HB MET 46 -7.816 2.419 3.163 296 HB3 MET 46 2HB MET 46 -8.848 1.385 2.168 297 HG2 MET 46 1HG MET 46 -10.295 1.170 4.384 298 HG3 MET 46 2HG MET 46 -9.466 2.663 4.816 299 HE1 MET 46 3HE MET 46 -11.203 1.016 1.646 300 HE2 MET 46 1HE MET 46 -12.446 1.094 2.921 301 HE3 MET 46 2HE MET 46 -12.607 2.098 1.473 302 H CYS 47 H CYS 47 -5.385 0.838 3.451 303 HA CYS 47 HA CYS 47 -4.869 -0.414 0.957 304 HB2 CYS 47 1HB CYS 47 -3.484 1.324 2.019 305 HB3 CYS 47 2HB CYS 47 -3.009 0.205 3.281 306 H LEU 48 H LEU 48 -4.280 -1.600 4.320 307 HA LEU 48 HA LEU 48 -3.400 -4.188 3.687 308 HB2 LEU 48 1HB LEU 48 -5.031 -3.151 6.043 309 HB3 LEU 48 2HB LEU 48 -4.292 -4.736 5.985 310 HG LEU 48 HG LEU 48 -2.668 -2.179 5.710 311 HD11 LEU 48 1HD1 LEU 48 -3.795 -2.097 7.868 312 HD12 LEU 48 2HD1 LEU 48 -3.312 -3.771 8.222 313 HD13 LEU 48 3HD1 LEU 48 -2.091 -2.482 8.096 314 HD21 LEU 48 3HD2 LEU 48 -0.798 -3.576 6.313 315 HD22 LEU 48 1HD2 LEU 48 -1.846 -5.010 6.425 316 HD23 LEU 48 2HD2 LEU 48 -1.583 -4.216 4.864 317 H LEU 49 H LEU 49 -6.727 -3.032 4.379 318 HA LEU 49 HA LEU 49 -8.005 -5.495 3.930 319 HB2 LEU 49 1HB LEU 49 -8.816 -2.650 3.951 320 HB3 LEU 49 2HB LEU 49 -9.807 -3.627 2.903 321 HG LEU 49 HG LEU 49 -9.348 -5.037 5.443 322 HD11 LEU 49 1HD1 LEU 49 -9.109 -2.963 6.500 323 HD12 LEU 49 2HD1 LEU 49 -10.450 -2.232 5.601 324 HD13 LEU 49 3HD1 LEU 49 -10.762 -3.500 6.827 325 HD21 LEU 49 3HD2 LEU 49 -11.775 -5.217 5.397 326 HD22 LEU 49 1HD2 LEU 49 -11.862 -4.040 4.065 327 HD23 LEU 49 2HD2 LEU 49 -11.079 -5.620 3.835 328 H GLN 50 H GLN 50 -7.133 -3.059 1.415 329 HA GLN 50 HA GLN 50 -8.301 -4.551 -0.704 330 HB2 GLN 50 1HB GLN 50 -7.728 -2.113 -0.680 331 HB3 GLN 50 2HB GLN 50 -6.031 -2.547 -0.842 332 HG2 GLN 50 1HG GLN 50 -6.817 -2.055 -3.041 333 HG3 GLN 50 2HG GLN 50 -6.656 -3.799 -2.996 334 HE21 GLN 50 1HE2 GLN 50 -8.219 -3.025 -5.028 335 HE22 GLN 50 2HE2 GLN 50 -9.917 -3.149 -4.642 336 H ALA 51 H ALA 51 -4.945 -4.464 0.617 337 HA ALA 51 HA ALA 51 -3.704 -6.044 -1.347 338 HB1 ALA 51 1HB ALA 51 -2.482 -4.785 0.388 339 HB2 ALA 51 2HB ALA 51 -3.138 -5.855 1.651 340 HB3 ALA 51 3HB ALA 51 -2.021 -6.498 0.440 341 H GLY 52 H GLY 52 -5.381 -7.067 1.645 342 HA2 GLY 52 1HA GLY 52 -5.193 -9.907 0.941 343 HA3 GLY 52 2HA GLY 52 -5.970 -9.202 2.357 344 H ALA 53 H ALA 53 -7.104 -7.770 -0.663 345 HA ALA 53 HA ALA 53 -9.725 -8.521 0.063 346 HB1 ALA 53 1HB ALA 53 -8.770 -7.025 -2.390 347 HB2 ALA 53 2HB ALA 53 -10.457 -7.257 -1.865 348 HB3 ALA 53 3HB ALA 53 -9.356 -6.334 -0.848 349 H ALA 54 H ALA 54 -10.019 -10.417 -0.097 350 HA ALA 54 HA ALA 54 -11.344 -12.187 -0.996 351 HB1 ALA 54 1HB ALA 54 -11.881 -9.921 -2.946 352 HB2 ALA 54 2HB ALA 54 -12.927 -11.317 -2.676 353 HB3 ALA 54 3HB ALA 54 -12.660 -10.160 -1.360 354 H GLY 55 H GLY 55 -8.758 -12.625 -1.708 355 HA2 GLY 55 1HA GLY 55 -8.309 -14.375 -3.650 356 HA3 GLY 55 2HA GLY 55 -8.513 -12.923 -4.654 357 H SER 56 H SER 56 -7.402 -11.333 -2.279 358 HA SER 56 HA SER 56 -5.528 -10.484 -1.469 359 HB2 SER 56 1HB SER 56 -5.702 -12.706 -0.331 360 HB3 SER 56 2HB SER 56 -4.548 -13.368 -1.493 361 HG SER 56 HG SER 56 -2.999 -12.486 -0.450 362 H GLY 57 H GLY 57 -2.924 -12.379 -2.637 363 HA2 GLY 57 1HA GLY 57 -1.961 -12.346 -4.887 364 HA3 GLY 57 2HA GLY 57 -2.693 -10.763 -5.138 365 H CYS 58 H CYS 58 -2.107 -9.899 -2.333 366 HA CYS 58 HA CYS 58 0.686 -9.084 -2.789 367 HB2 CYS 58 1HB CYS 58 -1.545 -8.174 -0.934 368 HB3 CYS 58 2HB CYS 58 0.031 -7.411 -1.029 369 H ASP 59 H ASP 59 1.893 -8.675 -0.645 370 HA ASP 59 HA ASP 59 2.033 -11.171 0.947 371 HB2 ASP 59 1HB ASP 59 4.089 -10.314 -0.050 372 HB3 ASP 59 2HB ASP 59 3.823 -8.722 0.679 373 H MET 60 H MET 60 0.103 -10.884 2.251 374 HA MET 60 HA MET 60 -0.217 -8.455 3.871 375 HB2 MET 60 1HB MET 60 -1.810 -10.913 3.331 376 HB3 MET 60 2HB MET 60 -2.009 -10.228 4.932 377 HG2 MET 60 1HG MET 60 -2.132 -8.347 2.610 378 HG3 MET 60 2HG MET 60 -3.493 -9.429 2.902 379 HE1 MET 60 3HE MET 60 -5.230 -9.246 4.709 380 HE2 MET 60 1HE MET 60 -4.002 -9.703 5.911 381 HE3 MET 60 2HE MET 60 -5.047 -8.304 6.206 382 H GLU 61 H GLU 61 2.202 -9.140 4.267 383 HA GLU 61 HA GLU 61 3.886 -9.530 5.583 384 HB2 GLU 61 1HB GLU 61 1.775 -9.197 7.517 385 HB3 GLU 61 2HB GLU 61 2.907 -10.422 8.073 386 HG2 GLU 61 1HG GLU 61 3.794 -7.678 7.139 387 HG3 GLU 61 2HG GLU 61 3.301 -8.021 8.799 Start of MODEL 4 1 H1 TYR 1 H TYR 1 -14.812 8.675 2.067 2 HA TYR 1 HA TYR 1 -12.797 9.087 3.363 3 HB2 TYR 1 1HB TYR 1 -13.216 7.321 5.060 4 HB3 TYR 1 2HB TYR 1 -12.939 6.088 3.841 5 HD1 TYR 1 2HD TYR 1 -11.274 9.171 5.303 6 HD2 TYR 1 1HD TYR 1 -10.765 5.246 3.530 7 HE1 TYR 1 2HE TYR 1 -8.822 9.357 5.565 8 HE2 TYR 1 1HE TYR 1 -8.360 5.412 3.859 9 HH TYR 1 HH TYR 1 -6.763 8.097 5.553 10 H ASN 2 H ASN 2 -10.617 8.826 2.337 11 HA ASN 2 HA ASN 2 -10.447 6.784 0.264 12 HB2 ASN 2 1HB ASN 2 -10.567 9.633 -0.386 13 HB3 ASN 2 2HB ASN 2 -8.977 9.016 -0.755 14 HD21 ASN 2 1HD2 ASN 2 -8.828 8.344 -2.936 15 HD22 ASN 2 2HD2 ASN 2 -10.096 7.402 -3.674 16 HA PRO 3 HA PRO 3 -6.833 6.215 2.659 17 HB2 PRO 3 1HB PRO 3 -5.271 4.634 1.019 18 HB3 PRO 3 2HB PRO 3 -6.743 4.070 1.855 19 HG2 PRO 3 1HG PRO 3 -6.465 4.986 -1.008 20 HG3 PRO 3 2HG PRO 3 -7.407 3.604 -0.367 21 HD2 PRO 3 1HD PRO 3 -8.600 5.922 -1.002 22 HD3 PRO 3 2HD PRO 3 -9.134 4.886 0.361 23 H GLU 4 H GLU 4 -6.419 7.556 -0.544 24 HA GLU 4 HA GLU 4 -3.734 8.453 -0.301 25 HB2 GLU 4 1HB GLU 4 -6.148 9.188 -1.959 26 HB3 GLU 4 2HB GLU 4 -4.649 10.108 -2.129 27 HG2 GLU 4 1HG GLU 4 -3.418 8.114 -2.776 28 HG3 GLU 4 2HG GLU 4 -4.762 7.065 -2.311 29 H ASP 5 H ASP 5 -6.579 9.513 1.405 30 HA ASP 5 HA ASP 5 -5.701 12.176 1.967 31 HB2 ASP 5 1HB ASP 5 -8.051 11.041 2.194 32 HB3 ASP 5 2HB ASP 5 -7.474 10.503 3.764 33 H ASP 6 H ASP 6 -4.533 9.144 3.108 34 HA ASP 6 HA ASP 6 -2.975 10.402 5.360 35 HB2 ASP 6 1HB ASP 6 -4.440 7.758 5.352 36 HB3 ASP 6 2HB ASP 6 -3.189 8.164 6.492 37 H TYR 7 H TYR 7 -2.461 9.739 2.457 38 HA TYR 7 HA TYR 7 -0.613 7.591 2.171 39 HB2 TYR 7 1HB TYR 7 -1.617 8.459 0.243 40 HB3 TYR 7 2HB TYR 7 -1.382 10.119 0.734 41 HD1 TYR 7 2HD TYR 7 0.623 7.137 -0.358 42 HD2 TYR 7 1HD TYR 7 0.217 11.430 -0.292 43 HE1 TYR 7 2HE TYR 7 2.417 7.356 -2.089 44 HE2 TYR 7 1HE TYR 7 2.015 11.649 -1.963 45 HH TYR 7 HH TYR 7 3.134 10.380 -3.700 46 H THR 8 H THR 8 1.612 7.517 2.691 47 HA THR 8 HA THR 8 2.734 9.932 3.976 48 HB THR 8 HB THR 8 4.378 8.178 4.928 49 HG1 THR 8 1HG THR 8 3.222 6.142 5.197 50 HG21 THR 8 3HG2 THR 8 2.653 9.361 6.232 51 HG22 THR 8 1HG2 THR 8 1.479 8.101 5.786 52 HG23 THR 8 2HG2 THR 8 2.926 7.710 6.772 53 HA PRO 9 HA PRO 9 5.109 9.525 0.044 54 HB2 PRO 9 1HB PRO 9 5.785 12.172 -0.256 55 HB3 PRO 9 2HB PRO 9 4.281 11.431 -0.877 56 HG2 PRO 9 1HG PRO 9 4.687 13.033 1.660 57 HG3 PRO 9 2HG PRO 9 3.314 13.096 0.504 58 HD2 PRO 9 1HD PRO 9 3.162 11.729 2.844 59 HD3 PRO 9 2HD PRO 9 2.362 11.146 1.354 60 H LEU 10 H LEU 10 6.087 10.840 3.215 61 HA LEU 10 HA LEU 10 8.844 11.258 2.436 62 HB2 LEU 10 1HB LEU 10 7.530 10.934 5.151 63 HB3 LEU 10 2HB LEU 10 9.248 11.149 4.919 64 HG LEU 10 HG LEU 10 7.014 13.115 4.446 65 HD11 LEU 10 1HD1 LEU 10 9.755 13.380 5.770 66 HD12 LEU 10 2HD1 LEU 10 8.441 14.581 5.786 67 HD13 LEU 10 3HD1 LEU 10 8.233 13.036 6.620 68 HD21 LEU 10 3HD2 LEU 10 8.665 14.668 3.371 69 HD22 LEU 10 1HD2 LEU 10 9.787 13.312 3.193 70 HD23 LEU 10 2HD2 LEU 10 8.202 13.314 2.359 71 H THR 11 H THR 11 7.047 8.394 3.356 72 HA THR 11 HA THR 11 9.573 6.827 3.163 73 HB THR 11 HB THR 11 7.710 4.956 3.514 74 HG1 THR 11 1HG THR 11 5.849 5.924 3.765 75 HG21 THR 11 3HG2 THR 11 8.741 6.782 5.707 76 HG22 THR 11 1HG2 THR 11 8.018 5.167 5.940 77 HG23 THR 11 2HG2 THR 11 9.533 5.340 5.034 78 H CYS 12 H CYS 12 6.448 7.480 1.486 79 HA CYS 12 HA CYS 12 6.457 5.043 0.306 80 HB2 CYS 12 1HB CYS 12 4.527 6.582 0.612 81 HB3 CYS 12 2HB CYS 12 5.046 7.463 -0.829 82 HA PRO 13 HA PRO 13 9.441 5.835 -3.009 83 HB2 PRO 13 1HB PRO 13 9.839 3.267 -3.845 84 HB3 PRO 13 2HB PRO 13 10.559 3.968 -2.362 85 HG2 PRO 13 1HG PRO 13 8.166 2.162 -2.633 86 HG3 PRO 13 2HG PRO 13 9.447 2.137 -1.397 87 HD2 PRO 13 1HD PRO 13 6.955 3.303 -1.041 88 HD3 PRO 13 2HD PRO 13 8.424 3.795 -0.162 89 H HIS 14 H HIS 14 6.335 5.806 -3.418 90 HA HIS 14 HA HIS 14 6.314 5.343 -6.355 91 HB2 HIS 14 1HB HIS 14 3.862 4.760 -4.689 92 HB3 HIS 14 2HB HIS 14 4.239 4.146 -6.275 93 HD1 HIS 14 1HD HIS 14 6.499 2.259 -6.199 94 HD2 HIS 14 2HD HIS 14 4.104 3.094 -2.816 95 HE1 HIS 14 1HE HIS 14 6.749 0.343 -4.578 96 HE2 HIS 14 2HE HIS 14 5.496 0.957 -2.406 97 H THR 15 H THR 15 4.722 6.773 -7.420 98 HA THR 15 HA THR 15 4.297 9.262 -5.933 99 HB THR 15 HB THR 15 3.604 10.074 -8.157 100 HG1 THR 15 1HG THR 15 4.076 8.508 -9.918 101 HG21 THR 15 3HG2 THR 15 5.747 9.988 -9.255 102 HG22 THR 15 1HG2 THR 15 6.042 9.992 -7.501 103 HG23 THR 15 2HG2 THR 15 6.196 8.490 -8.417 104 H ILE 16 H ILE 16 2.106 10.178 -5.735 105 HA ILE 16 HA ILE 16 0.235 8.289 -4.887 106 HB ILE 16 HB ILE 16 0.482 10.712 -4.232 107 HG12 ILE 16 1HG1 ILE 16 -2.372 9.760 -4.690 108 HG13 ILE 16 2HG1 ILE 16 -1.316 9.204 -3.387 109 HG21 ILE 16 1HG2 ILE 16 -1.500 11.263 -6.466 110 HG22 ILE 16 2HG2 ILE 16 -0.716 12.420 -5.378 111 HG23 ILE 16 3HG2 ILE 16 0.242 11.576 -6.606 112 HD11 ILE 16 3HD1 ILE 16 -2.627 10.898 -2.396 113 HD12 ILE 16 1HD1 ILE 16 -1.070 11.673 -2.698 114 HD13 ILE 16 2HD1 ILE 16 -2.447 11.987 -3.778 115 H SER 17 H SER 17 0.926 9.258 -8.091 116 HA SER 17 HA SER 17 -1.550 8.803 -9.408 117 HB2 SER 17 1HB SER 17 0.358 9.979 -10.427 118 HB3 SER 17 2HB SER 17 1.343 8.500 -10.328 119 HG SER 17 HG SER 17 -0.107 9.278 -12.318 120 H VAL 18 H VAL 18 1.004 6.679 -8.153 121 HA VAL 18 HA VAL 18 -0.590 4.269 -8.806 122 HB VAL 18 HB VAL 18 1.337 3.131 -9.746 123 HG11 VAL 18 1HG1 VAL 18 -0.113 4.336 -11.323 124 HG12 VAL 18 2HG1 VAL 18 0.960 5.768 -11.239 125 HG13 VAL 18 3HG1 VAL 18 1.566 4.241 -11.880 126 HG21 VAL 18 3HG2 VAL 18 3.261 5.114 -10.358 127 HG22 VAL 18 1HG2 VAL 18 2.730 5.485 -8.664 128 HG23 VAL 18 2HG2 VAL 18 3.340 3.889 -9.063 129 H VAL 19 H VAL 19 -0.712 5.055 -6.518 130 HA VAL 19 HA VAL 19 1.327 3.480 -4.984 131 HB VAL 19 HB VAL 19 1.414 5.765 -4.271 132 HG11 VAL 19 1HG1 VAL 19 -0.389 6.910 -3.140 133 HG12 VAL 19 2HG1 VAL 19 -0.916 6.444 -4.768 134 HG13 VAL 19 3HG1 VAL 19 -1.483 5.525 -3.375 135 HG21 VAL 19 3HG2 VAL 19 0.144 4.023 -2.121 136 HG22 VAL 19 1HG2 VAL 19 1.827 3.956 -2.635 137 HG23 VAL 19 2HG2 VAL 19 1.190 5.423 -1.860 138 H TRP 20 H TRP 20 -2.222 3.957 -5.354 139 HA TRP 20 HA TRP 20 -2.946 1.928 -3.454 140 HB2 TRP 20 1HB TRP 20 -4.496 3.669 -4.346 141 HB3 TRP 20 2HB TRP 20 -4.479 2.889 -5.915 142 HD1 TRP 20 HD TRP 20 -6.205 0.986 -6.257 143 HE1 TRP 20 1HE TRP 20 -7.838 -0.296 -4.788 144 HE3 TRP 20 3HE TRP 20 -4.553 2.590 -1.695 145 HZ2 TRP 20 2HZ TRP 20 -8.528 -0.407 -1.915 146 HZ3 TRP 20 3HZ TRP 20 -5.687 1.884 0.373 147 HH2 TRP 20 HH TRP 20 -7.746 0.521 0.268 148 H TYR 21 H TYR 21 -3.019 1.739 -7.050 149 HA TYR 21 HA TYR 21 -3.367 -1.015 -7.313 150 HB2 TYR 21 1HB TYR 21 -3.551 0.407 -9.238 151 HB3 TYR 21 2HB TYR 21 -1.923 1.044 -9.033 152 HD1 TYR 21 1HD TYR 21 0.076 -0.281 -9.647 153 HD2 TYR 21 2HD TYR 21 -3.928 -1.814 -10.234 154 HE1 TYR 21 1HE TYR 21 1.009 -2.231 -10.878 155 HE2 TYR 21 2HE TYR 21 -3.012 -3.707 -11.523 156 HH TYR 21 HH TYR 21 -1.173 -4.683 -12.420 157 H GLU 22 H GLU 22 -0.298 0.781 -6.832 158 HA GLU 22 HA GLU 22 1.461 -1.300 -7.569 159 HB2 GLU 22 1HB GLU 22 2.774 0.652 -7.432 160 HB3 GLU 22 2HB GLU 22 1.382 1.420 -6.795 161 HG2 GLU 22 1HG GLU 22 3.162 1.769 -5.375 162 HG3 GLU 22 2HG GLU 22 2.110 0.748 -4.441 163 H CYS 23 H CYS 23 -0.315 -0.482 -4.595 164 HA CYS 23 HA CYS 23 1.277 -2.306 -2.935 165 HB2 CYS 23 1HB CYS 23 0.783 0.325 -2.581 166 HB3 CYS 23 2HB CYS 23 -0.679 -0.301 -1.870 167 H THR 24 H THR 24 -1.619 -2.253 -4.673 168 HA THR 24 HA THR 24 -2.795 -4.226 -2.824 169 HB THR 24 HB THR 24 -4.946 -3.259 -3.100 170 HG1 THR 24 1HG THR 24 -4.664 -2.537 -5.247 171 HG21 THR 24 3HG2 THR 24 -3.038 -0.971 -2.456 172 HG22 THR 24 1HG2 THR 24 -4.764 -1.080 -2.047 173 HG23 THR 24 2HG2 THR 24 -3.592 -2.215 -1.342 174 H GLU 25 H GLU 25 -1.271 -4.183 -5.653 175 HA GLU 25 HA GLU 25 -2.975 -6.312 -6.772 176 HB2 GLU 25 1HB GLU 25 -3.480 -3.802 -7.587 177 HB3 GLU 25 2HB GLU 25 -2.118 -4.109 -8.651 178 HG2 GLU 25 1HG GLU 25 -3.279 -5.679 -9.903 179 HG3 GLU 25 2HG GLU 25 -4.205 -6.241 -8.508 180 H ASN 26 H ASN 26 0.002 -4.338 -7.268 181 HA ASN 26 HA ASN 26 1.302 -6.426 -8.825 182 HB2 ASN 26 1HB ASN 26 1.686 -4.037 -9.247 183 HB3 ASN 26 2HB ASN 26 2.338 -3.840 -7.613 184 HD21 ASN 26 1HD2 ASN 26 4.295 -3.047 -8.629 185 HD22 ASN 26 2HD2 ASN 26 5.490 -4.194 -9.191 186 H THR 27 H THR 27 1.335 -8.296 -7.403 187 HA THR 27 HA THR 27 2.180 -8.189 -4.708 188 HB THR 27 HB THR 27 2.153 -10.580 -4.746 189 HG1 THR 27 1HG THR 27 2.499 -10.286 -7.471 190 HG21 THR 27 3HG2 THR 27 -0.140 -9.532 -6.450 191 HG22 THR 27 1HG2 THR 27 -0.139 -10.942 -5.386 192 HG23 THR 27 2HG2 THR 27 0.002 -9.321 -4.698 193 H ALA 28 H ALA 28 4.210 -8.145 -7.485 194 HA ALA 28 HA ALA 28 6.632 -9.013 -6.329 195 HB1 ALA 28 1HB ALA 28 6.178 -6.669 -8.233 196 HB2 ALA 28 2HB ALA 28 7.701 -7.535 -7.968 197 HB3 ALA 28 3HB ALA 28 6.328 -8.377 -8.724 198 H ASN 29 H ASN 29 4.672 -6.235 -5.467 199 HA ASN 29 HA ASN 29 6.778 -5.550 -3.498 200 HB2 ASN 29 1HB ASN 29 5.046 -3.305 -4.400 201 HB3 ASN 29 2HB ASN 29 6.670 -3.304 -3.745 202 HD21 ASN 29 1HD2 ASN 29 5.466 -1.799 -6.013 203 HD22 ASN 29 2HD2 ASN 29 6.506 -2.198 -7.360 204 H CYS 30 H CYS 30 3.299 -5.650 -4.299 205 HA CYS 30 HA CYS 30 2.550 -4.208 -2.019 206 HB2 CYS 30 1HB CYS 30 0.314 -4.827 -2.464 207 HB3 CYS 30 2HB CYS 30 1.124 -4.355 -3.952 208 H GLY 31 H GLY 31 1.568 -4.673 -0.050 209 HA2 GLY 31 1HA GLY 31 0.747 -7.026 1.056 210 HA3 GLY 31 2HA GLY 31 2.509 -7.027 1.254 211 H THR 32 H THR 32 1.502 -7.019 3.536 212 HA THR 32 HA THR 32 0.261 -4.725 4.635 213 HB THR 32 HB THR 32 1.923 -6.959 5.860 214 HG1 THR 32 1HG THR 32 -0.206 -7.105 4.637 215 HG21 THR 32 3HG2 THR 32 1.832 -5.173 7.550 216 HG22 THR 32 1HG2 THR 32 0.079 -5.018 7.319 217 HG23 THR 32 2HG2 THR 32 0.754 -6.508 7.996 218 H ALA 33 H ALA 33 3.777 -5.516 4.443 219 HA ALA 33 HA ALA 33 4.582 -3.213 5.952 220 HB1 ALA 33 1HB ALA 33 6.018 -5.179 5.638 221 HB2 ALA 33 2HB ALA 33 6.083 -4.861 3.880 222 HB3 ALA 33 3HB ALA 33 6.809 -3.728 5.015 223 H CYS 34 H CYS 34 4.162 -3.822 2.456 224 HA CYS 34 HA CYS 34 5.022 -1.355 1.420 225 HB2 CYS 34 1HB CYS 34 4.446 -3.184 -0.041 226 HB3 CYS 34 2HB CYS 34 2.784 -3.196 0.508 227 H CYS 35 H CYS 35 1.777 -2.305 2.561 228 HA CYS 35 HA CYS 35 0.474 0.125 2.036 229 HB2 CYS 35 1HB CYS 35 -0.051 -2.067 4.061 230 HB3 CYS 35 2HB CYS 35 -1.082 -0.648 3.949 231 H ASP 36 H ASP 36 2.010 -0.957 5.096 232 HA ASP 36 HA ASP 36 1.483 1.442 6.557 233 HB2 ASP 36 1HB ASP 36 3.079 -0.994 6.859 234 HB3 ASP 36 2HB ASP 36 3.923 0.409 7.505 235 H SER 37 H SER 37 4.361 0.584 4.584 236 HA SER 37 HA SER 37 5.697 3.053 5.105 237 HB2 SER 37 1HB SER 37 6.013 0.942 2.941 238 HB3 SER 37 2HB SER 37 7.179 2.255 3.267 239 HG SER 37 HG SER 37 7.308 0.001 4.410 240 H CYS 38 H CYS 38 2.810 2.728 3.357 241 HA CYS 38 HA CYS 38 3.410 5.255 1.933 242 HB2 CYS 38 1HB CYS 38 2.144 2.711 0.911 243 HB3 CYS 38 2HB CYS 38 1.794 4.264 0.186 244 H PHE 39 H PHE 39 1.373 3.756 4.271 245 HA PHE 39 HA PHE 39 -0.572 5.942 4.053 246 HB2 PHE 39 1HB PHE 39 -1.256 2.964 3.964 247 HB3 PHE 39 2HB PHE 39 -2.402 4.254 4.220 248 HD1 PHE 39 1HD PHE 39 -2.644 6.046 2.344 249 HD2 PHE 39 2HD PHE 39 -0.801 2.197 1.769 250 HE1 PHE 39 1HE PHE 39 -3.073 6.185 -0.102 251 HE2 PHE 39 2HE PHE 39 -1.249 2.320 -0.651 252 HZ PHE 39 HZ PHE 39 -2.384 4.298 -1.586 253 H GLU 40 H GLU 40 -1.575 6.318 6.058 254 HA GLU 40 HA GLU 40 -0.850 4.568 8.369 255 HB2 GLU 40 1HB GLU 40 -1.296 7.551 8.358 256 HB3 GLU 40 2HB GLU 40 -0.743 6.590 9.740 257 HG2 GLU 40 1HG GLU 40 1.067 6.466 7.393 258 HG3 GLU 40 2HG GLU 40 0.729 8.093 7.947 259 H LEU 41 H LEU 41 -2.477 4.911 10.213 260 HA LEU 41 HA LEU 41 -4.552 4.898 11.067 261 HB2 LEU 41 1HB LEU 41 -4.946 7.251 9.162 262 HB3 LEU 41 2HB LEU 41 -5.851 6.938 10.647 263 HG LEU 41 HG LEU 41 -2.851 7.524 10.514 264 HD11 LEU 41 1HD1 LEU 41 -5.093 9.330 11.455 265 HD12 LEU 41 2HD1 LEU 41 -3.360 9.679 11.483 266 HD13 LEU 41 3HD1 LEU 41 -4.169 9.483 9.928 267 HD21 LEU 41 3HD2 LEU 41 -3.288 6.178 12.418 268 HD22 LEU 41 1HD2 LEU 41 -3.156 7.835 13.004 269 HD23 LEU 41 2HD2 LEU 41 -4.756 7.092 12.845 270 H THR 42 H THR 42 -6.977 5.971 9.383 271 HA THR 42 HA THR 42 -7.945 3.407 8.585 272 HB THR 42 HB THR 42 -8.923 6.224 8.138 273 HG1 THR 42 1HG THR 42 -9.186 5.177 10.221 274 HG21 THR 42 3HG2 THR 42 -10.411 3.680 7.355 275 HG22 THR 42 1HG2 THR 42 -11.016 5.376 7.280 276 HG23 THR 42 2HG2 THR 42 -9.728 4.829 6.215 277 H GLY 43 H GLY 43 -5.861 5.733 6.850 278 HA2 GLY 43 1HA GLY 43 -6.390 4.786 4.193 279 HA3 GLY 43 2HA GLY 43 -4.944 5.623 4.768 280 H ASN 44 H ASN 44 -4.057 3.945 6.706 281 HA ASN 44 HA ASN 44 -2.624 1.887 5.398 282 HB2 ASN 44 1HB ASN 44 -1.881 2.847 7.514 283 HB3 ASN 44 2HB ASN 44 -3.283 2.191 8.358 284 HD21 ASN 44 1HD2 ASN 44 -0.471 1.282 6.387 285 HD22 ASN 44 2HD2 ASN 44 -0.189 -0.210 7.308 286 H THR 45 H THR 45 -5.353 1.757 7.649 287 HA THR 45 HA THR 45 -6.061 -0.909 7.536 288 HB THR 45 HB THR 45 -8.080 1.347 7.607 289 HG1 THR 45 1HG THR 45 -6.343 1.800 9.135 290 HG21 THR 45 3HG2 THR 45 -9.190 -0.153 9.259 291 HG22 THR 45 1HG2 THR 45 -9.061 -0.893 7.658 292 HG23 THR 45 2HG2 THR 45 -7.955 -1.380 8.959 293 H MET 46 H MET 46 -7.302 1.649 5.269 294 HA MET 46 HA MET 46 -8.916 -0.186 3.802 295 HB2 MET 46 1HB MET 46 -7.741 2.497 2.974 296 HB3 MET 46 2HB MET 46 -8.920 1.591 2.033 297 HG2 MET 46 1HG MET 46 -9.815 1.827 4.776 298 HG3 MET 46 2HG MET 46 -9.381 3.409 4.152 299 HE1 MET 46 3HE MET 46 -11.208 0.151 2.700 300 HE2 MET 46 1HE MET 46 -11.912 0.559 4.283 301 HE3 MET 46 2HE MET 46 -12.885 0.740 2.812 302 H CYS 47 H CYS 47 -5.493 0.856 3.347 303 HA CYS 47 HA CYS 47 -5.085 -0.468 0.846 304 HB2 CYS 47 1HB CYS 47 -3.586 1.233 1.787 305 HB3 CYS 47 2HB CYS 47 -3.126 0.150 3.093 306 H LEU 48 H LEU 48 -4.516 -1.575 4.241 307 HA LEU 48 HA LEU 48 -3.725 -4.210 3.648 308 HB2 LEU 48 1HB LEU 48 -5.298 -3.120 6.022 309 HB3 LEU 48 2HB LEU 48 -4.550 -4.694 5.938 310 HG LEU 48 HG LEU 48 -3.050 -2.043 5.840 311 HD11 LEU 48 1HD1 LEU 48 -3.327 -4.086 8.073 312 HD12 LEU 48 2HD1 LEU 48 -2.270 -2.656 8.098 313 HD13 LEU 48 3HD1 LEU 48 -4.021 -2.450 8.045 314 HD21 LEU 48 3HD2 LEU 48 -1.018 -3.302 6.103 315 HD22 LEU 48 1HD2 LEU 48 -1.925 -4.836 6.055 316 HD23 LEU 48 2HD2 LEU 48 -1.832 -3.793 4.618 317 H LEU 49 H LEU 49 -6.965 -2.928 4.281 318 HA LEU 49 HA LEU 49 -8.519 -5.188 3.969 319 HB2 LEU 49 1HB LEU 49 -8.946 -2.405 4.117 320 HB3 LEU 49 2HB LEU 49 -9.760 -2.866 2.648 321 HG LEU 49 HG LEU 49 -10.205 -4.226 5.338 322 HD11 LEU 49 1HD1 LEU 49 -10.720 -1.868 5.521 323 HD12 LEU 49 2HD1 LEU 49 -11.701 -1.931 4.028 324 HD13 LEU 49 3HD1 LEU 49 -12.232 -2.804 5.466 325 HD21 LEU 49 3HD2 LEU 49 -12.295 -4.995 4.301 326 HD22 LEU 49 1HD2 LEU 49 -11.822 -4.227 2.748 327 HD23 LEU 49 2HD2 LEU 49 -10.897 -5.592 3.419 328 H GLN 50 H GLN 50 -7.068 -3.281 1.311 329 HA GLN 50 HA GLN 50 -8.390 -4.833 -0.772 330 HB2 GLN 50 1HB GLN 50 -7.410 -2.350 -0.722 331 HB3 GLN 50 2HB GLN 50 -5.906 -3.145 -1.117 332 HG2 GLN 50 1HG GLN 50 -8.487 -3.077 -2.664 333 HG3 GLN 50 2HG GLN 50 -6.976 -2.372 -3.120 334 HE21 GLN 50 1HE2 GLN 50 -8.650 -4.132 -4.727 335 HE22 GLN 50 2HE2 GLN 50 -7.553 -5.425 -5.195 336 H ALA 51 H ALA 51 -5.047 -4.389 0.399 337 HA ALA 51 HA ALA 51 -3.770 -6.205 -1.154 338 HB1 ALA 51 1HB ALA 51 -1.969 -6.133 0.625 339 HB2 ALA 51 2HB ALA 51 -2.625 -4.540 0.223 340 HB3 ALA 51 3HB ALA 51 -3.127 -5.363 1.714 341 H GLY 52 H GLY 52 -4.946 -6.879 2.173 342 HA2 GLY 52 1HA GLY 52 -4.831 -9.827 1.730 343 HA3 GLY 52 2HA GLY 52 -4.859 -8.992 3.293 344 H ALA 53 H ALA 53 -6.791 -8.781 0.278 345 HA ALA 53 HA ALA 53 -9.319 -8.477 1.608 346 HB1 ALA 53 1HB ALA 53 -8.992 -7.625 -0.648 347 HB2 ALA 53 2HB ALA 53 -8.601 -9.249 -1.250 348 HB3 ALA 53 3HB ALA 53 -10.252 -8.844 -0.674 349 H ALA 54 H ALA 54 -9.552 -11.033 -0.756 350 HA ALA 54 HA ALA 54 -8.942 -13.212 0.996 351 HB1 ALA 54 1HB ALA 54 -11.272 -12.562 1.775 352 HB2 ALA 54 2HB ALA 54 -11.849 -12.802 0.112 353 HB3 ALA 54 3HB ALA 54 -11.221 -14.176 1.047 354 H GLY 55 H GLY 55 -7.960 -12.339 -1.430 355 HA2 GLY 55 1HA GLY 55 -8.882 -14.452 -3.379 356 HA3 GLY 55 2HA GLY 55 -8.313 -12.880 -3.896 357 H SER 56 H SER 56 -6.370 -13.444 -1.398 358 HA SER 56 HA SER 56 -4.223 -13.878 -1.126 359 HB2 SER 56 1HB SER 56 -5.058 -16.274 -1.312 360 HB3 SER 56 2HB SER 56 -4.415 -16.171 -2.972 361 HG SER 56 HG SER 56 -2.602 -15.260 -1.148 362 H GLY 57 H GLY 57 -3.834 -12.092 -2.123 363 HA2 GLY 57 1HA GLY 57 -2.085 -12.221 -4.536 364 HA3 GLY 57 2HA GLY 57 -3.052 -10.773 -4.240 365 H CYS 58 H CYS 58 -2.328 -9.308 -2.797 366 HA CYS 58 HA CYS 58 0.386 -9.098 -2.316 367 HB2 CYS 58 1HB CYS 58 -1.880 -7.736 -0.860 368 HB3 CYS 58 2HB CYS 58 -0.244 -7.128 -0.980 369 H ASP 59 H ASP 59 1.688 -8.979 -0.471 370 HA ASP 59 HA ASP 59 1.188 -11.396 0.970 371 HB2 ASP 59 1HB ASP 59 3.329 -10.657 -0.268 372 HB3 ASP 59 2HB ASP 59 3.734 -9.760 1.194 373 H MET 60 H MET 60 0.309 -11.549 2.895 374 HA MET 60 HA MET 60 -0.073 -9.224 4.601 375 HB2 MET 60 1HB MET 60 -0.927 -12.130 4.789 376 HB3 MET 60 2HB MET 60 -1.386 -10.896 5.971 377 HG2 MET 60 1HG MET 60 -2.560 -9.599 4.334 378 HG3 MET 60 2HG MET 60 -1.970 -10.591 2.998 379 HE1 MET 60 3HE MET 60 -3.132 -12.740 2.099 380 HE2 MET 60 1HE MET 60 -2.327 -13.463 3.495 381 HE3 MET 60 2HE MET 60 -4.042 -13.820 3.173 382 H GLU 61 H GLU 61 0.480 -9.253 6.931 383 HA GLU 61 HA GLU 61 2.651 -11.141 7.688 384 HB2 GLU 61 1HB GLU 61 2.409 -8.186 8.393 385 HB3 GLU 61 2HB GLU 61 3.325 -9.355 9.339 386 HG2 GLU 61 1HG GLU 61 4.506 -9.983 7.101 387 HG3 GLU 61 2HG GLU 61 3.838 -8.463 6.493 Start of MODEL 5 1 H1 TYR 1 H TYR 1 -13.581 10.358 1.826 2 HA TYR 1 HA TYR 1 -12.022 10.264 3.696 3 HB2 TYR 1 1HB TYR 1 -12.842 8.267 4.751 4 HB3 TYR 1 2HB TYR 1 -12.486 7.279 3.336 5 HD1 TYR 1 1HD TYR 1 -10.627 9.728 5.550 6 HD2 TYR 1 2HD TYR 1 -10.537 5.865 3.548 7 HE1 TYR 1 1HE TYR 1 -8.228 9.516 6.029 8 HE2 TYR 1 2HE TYR 1 -8.191 5.645 4.110 9 HH TYR 1 HH TYR 1 -6.356 8.038 5.959 10 H ASN 2 H ASN 2 -10.846 7.516 2.043 11 HA ASN 2 HA ASN 2 -9.929 7.044 0.003 12 HB2 ASN 2 1HB ASN 2 -9.148 9.937 -0.014 13 HB3 ASN 2 2HB ASN 2 -8.259 8.738 -0.937 14 HD21 ASN 2 1HD2 ASN 2 -8.808 9.791 -2.973 15 HD22 ASN 2 2HD2 ASN 2 -10.431 9.548 -3.591 16 HA PRO 3 HA PRO 3 -6.485 6.291 2.784 17 HB2 PRO 3 1HB PRO 3 -4.933 4.672 1.150 18 HB3 PRO 3 2HB PRO 3 -6.380 4.106 2.017 19 HG2 PRO 3 1HG PRO 3 -6.174 4.969 -0.865 20 HG3 PRO 3 2HG PRO 3 -7.089 3.600 -0.160 21 HD2 PRO 3 1HD PRO 3 -8.297 5.884 -0.824 22 HD3 PRO 3 2HD PRO 3 -8.818 4.881 0.562 23 H GLU 4 H GLU 4 -6.241 7.681 -0.430 24 HA GLU 4 HA GLU 4 -3.665 8.770 -0.449 25 HB2 GLU 4 1HB GLU 4 -6.344 9.826 -1.394 26 HB3 GLU 4 2HB GLU 4 -4.837 10.625 -1.783 27 HG2 GLU 4 1HG GLU 4 -4.049 8.790 -3.089 28 HG3 GLU 4 2HG GLU 4 -5.297 7.705 -2.509 29 H ASP 5 H ASP 5 -6.339 9.566 1.726 30 HA ASP 5 HA ASP 5 -5.444 12.262 2.245 31 HB2 ASP 5 1HB ASP 5 -7.809 10.921 2.622 32 HB3 ASP 5 2HB ASP 5 -7.152 10.889 4.265 33 H ASP 6 H ASP 6 -4.445 9.136 3.324 34 HA ASP 6 HA ASP 6 -2.680 10.302 5.440 35 HB2 ASP 6 1HB ASP 6 -4.175 7.667 5.496 36 HB3 ASP 6 2HB ASP 6 -2.830 8.046 6.534 37 H TYR 7 H TYR 7 -2.492 9.722 2.460 38 HA TYR 7 HA TYR 7 -0.565 7.661 1.989 39 HB2 TYR 7 1HB TYR 7 -1.713 8.595 0.157 40 HB3 TYR 7 2HB TYR 7 -1.343 10.247 0.650 41 HD1 TYR 7 2HD TYR 7 0.629 7.148 -0.215 42 HD2 TYR 7 1HD TYR 7 0.024 11.377 -0.809 43 HE1 TYR 7 2HE TYR 7 2.476 7.181 -1.865 44 HE2 TYR 7 1HE TYR 7 1.871 11.423 -2.451 45 HH TYR 7 HH TYR 7 3.641 8.426 -3.370 46 H THR 8 H THR 8 1.680 7.696 2.420 47 HA THR 8 HA THR 8 2.750 10.170 3.678 48 HB THR 8 HB THR 8 4.309 8.657 4.806 49 HG1 THR 8 1HG THR 8 4.473 6.810 3.848 50 HG21 THR 8 3HG2 THR 8 1.441 7.745 5.269 51 HG22 THR 8 1HG2 THR 8 2.794 7.796 6.408 52 HG23 THR 8 2HG2 THR 8 2.076 9.303 5.822 53 HA PRO 9 HA PRO 9 4.996 9.768 -0.379 54 HB2 PRO 9 1HB PRO 9 5.497 12.462 -0.719 55 HB3 PRO 9 2HB PRO 9 4.046 11.615 -1.331 56 HG2 PRO 9 1HG PRO 9 4.330 13.272 1.175 57 HG3 PRO 9 2HG PRO 9 2.964 13.230 0.019 58 HD2 PRO 9 1HD PRO 9 2.916 11.903 2.397 59 HD3 PRO 9 2HD PRO 9 2.129 11.239 0.937 60 H LEU 10 H LEU 10 5.723 11.607 2.605 61 HA LEU 10 HA LEU 10 8.366 12.003 2.664 62 HB2 LEU 10 1HB LEU 10 6.380 10.883 4.684 63 HB3 LEU 10 2HB LEU 10 8.045 11.266 5.106 64 HG LEU 10 HG LEU 10 7.726 13.578 4.440 65 HD11 LEU 10 1HD1 LEU 10 4.830 12.873 3.919 66 HD12 LEU 10 2HD1 LEU 10 5.432 14.520 4.169 67 HD13 LEU 10 3HD1 LEU 10 6.011 13.624 2.795 68 HD21 LEU 10 3HD2 LEU 10 6.247 14.241 6.344 69 HD22 LEU 10 1HD2 LEU 10 5.669 12.567 6.452 70 HD23 LEU 10 2HD2 LEU 10 7.367 12.949 6.789 71 H THR 11 H THR 11 6.751 8.785 3.260 72 HA THR 11 HA THR 11 9.411 7.512 3.259 73 HB THR 11 HB THR 11 7.902 5.649 4.327 74 HG1 THR 11 1HG THR 11 6.074 6.331 5.258 75 HG21 THR 11 3HG2 THR 11 8.214 6.730 6.552 76 HG22 THR 11 1HG2 THR 11 9.645 6.894 5.516 77 HG23 THR 11 2HG2 THR 11 8.562 8.275 5.747 78 H CYS 12 H CYS 12 6.751 7.946 1.137 79 HA CYS 12 HA CYS 12 6.856 5.201 0.182 80 HB2 CYS 12 1HB CYS 12 4.780 6.471 0.678 81 HB3 CYS 12 2HB CYS 12 5.086 7.444 -0.762 82 HA PRO 13 HA PRO 13 9.464 6.542 -3.383 83 HB2 PRO 13 1HB PRO 13 9.829 3.866 -4.298 84 HB3 PRO 13 2HB PRO 13 10.939 4.839 -3.306 85 HG2 PRO 13 1HG PRO 13 9.047 2.721 -2.529 86 HG3 PRO 13 2HG PRO 13 10.577 3.184 -1.745 87 HD2 PRO 13 1HD PRO 13 8.050 3.790 -0.781 88 HD3 PRO 13 2HD PRO 13 9.522 4.748 -0.434 89 H HIS 14 H HIS 14 6.269 5.768 -3.233 90 HA HIS 14 HA HIS 14 6.006 5.341 -6.171 91 HB2 HIS 14 1HB HIS 14 4.046 4.115 -4.236 92 HB3 HIS 14 2HB HIS 14 4.362 3.700 -5.890 93 HD1 HIS 14 1HD HIS 14 6.499 2.126 -6.389 94 HD2 HIS 14 2HD HIS 14 5.491 2.929 -2.377 95 HE1 HIS 14 1HE HIS 14 7.348 0.265 -4.936 96 HE2 HIS 14 2HE HIS 14 7.083 0.918 -2.498 97 H THR 15 H THR 15 4.611 6.671 -7.163 98 HA THR 15 HA THR 15 3.990 9.076 -5.771 99 HB THR 15 HB THR 15 3.297 9.745 -8.068 100 HG1 THR 15 1HG THR 15 3.717 8.066 -9.695 101 HG21 THR 15 3HG2 THR 15 5.858 8.060 -8.064 102 HG22 THR 15 1HG2 THR 15 5.484 9.444 -9.130 103 HG23 THR 15 2HG2 THR 15 5.715 9.686 -7.385 104 H ILE 16 H ILE 16 1.778 10.080 -5.862 105 HA ILE 16 HA ILE 16 -0.061 8.406 -4.582 106 HB ILE 16 HB ILE 16 0.163 10.881 -4.427 107 HG12 ILE 16 1HG1 ILE 16 -2.716 9.969 -4.819 108 HG13 ILE 16 2HG1 ILE 16 -1.733 9.568 -3.406 109 HG21 ILE 16 1HG2 ILE 16 0.076 11.321 -6.901 110 HG22 ILE 16 2HG2 ILE 16 -1.667 10.989 -6.857 111 HG23 ILE 16 3HG2 ILE 16 -1.000 12.354 -5.945 112 HD11 ILE 16 3HD1 ILE 16 -2.620 12.336 -4.279 113 HD12 ILE 16 1HD1 ILE 16 -3.066 11.454 -2.814 114 HD13 ILE 16 2HD1 ILE 16 -1.409 12.043 -2.999 115 H SER 17 H SER 17 0.458 8.672 -7.972 116 HA SER 17 HA SER 17 -2.087 7.716 -8.921 117 HB2 SER 17 1HB SER 17 0.750 7.958 -10.028 118 HB3 SER 17 2HB SER 17 -0.673 7.543 -10.978 119 HG SER 17 HG SER 17 -0.139 9.681 -11.124 120 H VAL 18 H VAL 18 1.001 6.235 -7.817 121 HA VAL 18 HA VAL 18 0.015 3.570 -8.668 122 HB VAL 18 HB VAL 18 1.995 2.934 -9.664 123 HG11 VAL 18 1HG1 VAL 18 1.756 5.821 -10.624 124 HG12 VAL 18 2HG1 VAL 18 2.387 4.422 -11.507 125 HG13 VAL 18 3HG1 VAL 18 0.665 4.490 -11.106 126 HG21 VAL 18 3HG2 VAL 18 3.224 5.193 -8.157 127 HG22 VAL 18 1HG2 VAL 18 3.821 3.542 -8.469 128 HG23 VAL 18 2HG2 VAL 18 3.990 4.777 -9.738 129 H VAL 19 H VAL 19 -0.286 4.809 -6.168 130 HA VAL 19 HA VAL 19 1.644 3.223 -4.529 131 HB VAL 19 HB VAL 19 1.585 5.508 -3.905 132 HG11 VAL 19 1HG1 VAL 19 -1.403 5.262 -3.292 133 HG12 VAL 19 2HG1 VAL 19 -0.365 6.647 -2.948 134 HG13 VAL 19 3HG1 VAL 19 -0.692 6.183 -4.621 135 HG21 VAL 19 3HG2 VAL 19 1.135 5.232 -1.517 136 HG22 VAL 19 1HG2 VAL 19 0.211 3.759 -1.840 137 HG23 VAL 19 2HG2 VAL 19 1.943 3.806 -2.207 138 H TRP 20 H TRP 20 -1.873 3.772 -5.083 139 HA TRP 20 HA TRP 20 -2.777 1.769 -3.283 140 HB2 TRP 20 1HB TRP 20 -4.175 3.595 -4.215 141 HB3 TRP 20 2HB TRP 20 -4.099 2.859 -5.815 142 HD1 TRP 20 HD TRP 20 -5.962 1.146 -6.348 143 HE1 TRP 20 1HE TRP 20 -7.797 -0.039 -5.017 144 HE3 TRP 20 3HE TRP 20 -4.460 2.437 -1.636 145 HZ2 TRP 20 2HZ TRP 20 -8.649 -0.188 -2.208 146 HZ3 TRP 20 3HZ TRP 20 -5.765 1.756 0.323 147 HH2 TRP 20 HH TRP 20 -7.922 0.561 0.035 148 H TYR 21 H TYR 21 -2.638 1.660 -6.871 149 HA TYR 21 HA TYR 21 -3.156 -1.057 -7.203 150 HB2 TYR 21 1HB TYR 21 -3.158 0.406 -9.092 151 HB3 TYR 21 2HB TYR 21 -1.500 0.938 -8.787 152 HD1 TYR 21 2HD TYR 21 -3.581 -1.899 -9.997 153 HD2 TYR 21 1HD TYR 21 0.415 -0.322 -9.514 154 HE1 TYR 21 2HE TYR 21 -2.672 -3.823 -11.269 155 HE2 TYR 21 1HE TYR 21 1.324 -2.231 -10.812 156 HH TYR 21 HH TYR 21 -0.620 -5.065 -11.255 157 H GLU 22 H GLU 22 0.004 0.526 -6.422 158 HA GLU 22 HA GLU 22 1.760 -1.602 -7.083 159 HB2 GLU 22 1HB GLU 22 2.979 0.210 -7.147 160 HB3 GLU 22 2HB GLU 22 1.672 0.996 -6.449 161 HG2 GLU 22 1HG GLU 22 2.984 1.472 -4.972 162 HG3 GLU 22 2HG GLU 22 2.615 0.114 -4.094 163 H CYS 23 H CYS 23 -0.008 -0.573 -4.119 164 HA CYS 23 HA CYS 23 1.318 -2.675 -2.581 165 HB2 CYS 23 1HB CYS 23 -0.130 -0.117 -1.780 166 HB3 CYS 23 2HB CYS 23 0.231 -1.416 -0.639 167 H THR 24 H THR 24 -1.391 -2.529 -4.471 168 HA THR 24 HA THR 24 -2.643 -4.345 -2.577 169 HB THR 24 HB THR 24 -4.847 -3.614 -3.090 170 HG1 THR 24 1HG THR 24 -3.689 -1.529 -4.580 171 HG21 THR 24 3HG2 THR 24 -3.072 -1.275 -2.256 172 HG22 THR 24 1HG2 THR 24 -4.827 -1.316 -2.124 173 HG23 THR 24 2HG2 THR 24 -3.838 -2.473 -1.213 174 H GLU 25 H GLU 25 -1.620 -3.976 -5.862 175 HA GLU 25 HA GLU 25 -2.951 -6.520 -6.579 176 HB2 GLU 25 1HB GLU 25 -3.799 -4.351 -7.646 177 HB3 GLU 25 2HB GLU 25 -2.250 -4.220 -8.447 178 HG2 GLU 25 1HG GLU 25 -4.179 -6.543 -8.673 179 HG3 GLU 25 2HG GLU 25 -4.054 -5.240 -9.853 180 H ASN 26 H ASN 26 -0.255 -4.307 -7.275 181 HA ASN 26 HA ASN 26 1.226 -6.044 -8.895 182 HB2 ASN 26 1HB ASN 26 1.542 -3.609 -8.797 183 HB3 ASN 26 2HB ASN 26 2.204 -3.778 -7.157 184 HD21 ASN 26 1HD2 ASN 26 3.956 -2.536 -8.372 185 HD22 ASN 26 2HD2 ASN 26 5.257 -3.521 -8.984 186 H THR 27 H THR 27 1.868 -8.052 -8.288 187 HA THR 27 HA THR 27 2.355 -8.880 -5.658 188 HB THR 27 HB THR 27 3.378 -10.856 -7.202 189 HG1 THR 27 1HG THR 27 2.976 -10.599 -9.258 190 HG21 THR 27 3HG2 THR 27 1.301 -10.943 -5.840 191 HG22 THR 27 1HG2 THR 27 0.431 -10.058 -7.118 192 HG23 THR 27 2HG2 THR 27 1.091 -11.680 -7.430 193 H ALA 28 H ALA 28 4.483 -7.171 -7.775 194 HA ALA 28 HA ALA 28 6.958 -8.133 -6.611 195 HB1 ALA 28 1HB ALA 28 7.943 -6.237 -7.787 196 HB2 ALA 28 2HB ALA 28 6.802 -7.066 -8.861 197 HB3 ALA 28 3HB ALA 28 6.337 -5.533 -8.067 198 H ASN 29 H ASN 29 4.438 -6.412 -5.161 199 HA ASN 29 HA ASN 29 6.261 -5.191 -3.154 200 HB2 ASN 29 1HB ASN 29 4.271 -3.717 -4.912 201 HB3 ASN 29 2HB ASN 29 4.758 -3.096 -3.343 202 HD21 ASN 29 1HD2 ASN 29 5.335 -2.375 -6.278 203 HD22 ASN 29 2HD2 ASN 29 7.053 -2.200 -6.402 204 H CYS 30 H CYS 30 2.872 -5.833 -4.152 205 HA CYS 30 HA CYS 30 1.810 -4.551 -2.013 206 HB2 CYS 30 1HB CYS 30 -0.306 -5.506 -2.559 207 HB3 CYS 30 2HB CYS 30 0.585 -5.123 -4.029 208 H GLY 31 H GLY 31 1.147 -4.848 0.041 209 HA2 GLY 31 1HA GLY 31 0.417 -7.020 1.378 210 HA3 GLY 31 2HA GLY 31 2.170 -7.154 1.469 211 H THR 32 H THR 32 1.225 -6.964 3.855 212 HA THR 32 HA THR 32 0.215 -4.593 4.777 213 HB THR 32 HB THR 32 1.975 -6.547 6.282 214 HG1 THR 32 1HG THR 32 -0.711 -6.899 6.544 215 HG21 THR 32 3HG2 THR 32 0.489 -5.989 8.246 216 HG22 THR 32 1HG2 THR 32 1.523 -4.655 7.723 217 HG23 THR 32 2HG2 THR 32 -0.207 -4.670 7.308 218 H ALA 33 H ALA 33 3.713 -5.426 4.633 219 HA ALA 33 HA ALA 33 4.593 -3.013 5.901 220 HB1 ALA 33 1HB ALA 33 6.790 -3.580 4.985 221 HB2 ALA 33 2HB ALA 33 6.025 -5.020 5.645 222 HB3 ALA 33 3HB ALA 33 6.074 -4.756 3.881 223 H CYS 34 H CYS 34 3.896 -3.860 2.525 224 HA CYS 34 HA CYS 34 4.820 -1.530 1.222 225 HB2 CYS 34 1HB CYS 34 3.854 -3.706 0.255 226 HB3 CYS 34 2HB CYS 34 2.261 -3.000 0.504 227 H CYS 35 H CYS 35 1.616 -2.255 2.660 228 HA CYS 35 HA CYS 35 0.467 0.304 2.199 229 HB2 CYS 35 1HB CYS 35 -0.103 -1.746 4.375 230 HB3 CYS 35 2HB CYS 35 -1.083 -0.326 4.061 231 H ASP 36 H ASP 36 2.216 -0.968 5.115 232 HA ASP 36 HA ASP 36 1.777 1.447 6.583 233 HB2 ASP 36 1HB ASP 36 2.186 -0.936 7.402 234 HB3 ASP 36 2HB ASP 36 3.903 -0.638 7.140 235 H SER 37 H SER 37 4.334 0.702 4.308 236 HA SER 37 HA SER 37 5.945 3.019 5.153 237 HB2 SER 37 1HB SER 37 6.139 1.024 2.879 238 HB3 SER 37 2HB SER 37 7.251 2.397 3.075 239 HG SER 37 HG SER 37 7.465 0.090 4.237 240 H CYS 38 H CYS 38 3.003 2.833 3.494 241 HA CYS 38 HA CYS 38 3.597 5.324 1.988 242 HB2 CYS 38 1HB CYS 38 2.396 2.716 1.051 243 HB3 CYS 38 2HB CYS 38 2.062 4.231 0.245 244 H PHE 39 H PHE 39 1.455 3.721 4.172 245 HA PHE 39 HA PHE 39 -0.525 5.865 3.978 246 HB2 PHE 39 1HB PHE 39 -1.125 2.880 3.761 247 HB3 PHE 39 2HB PHE 39 -2.304 4.122 4.074 248 HD1 PHE 39 2HD PHE 39 -2.316 6.133 2.282 249 HD2 PHE 39 1HD PHE 39 -1.024 2.091 1.552 250 HE1 PHE 39 2HE PHE 39 -2.890 6.369 -0.129 251 HE2 PHE 39 1HE PHE 39 -1.666 2.289 -0.820 252 HZ PHE 39 HZ PHE 39 -2.621 4.409 -1.652 253 H GLU 40 H GLU 40 -1.347 6.259 5.993 254 HA GLU 40 HA GLU 40 -0.705 4.346 8.189 255 HB2 GLU 40 1HB GLU 40 -0.987 7.339 8.443 256 HB3 GLU 40 2HB GLU 40 -0.412 6.197 9.675 257 HG2 GLU 40 1HG GLU 40 1.382 5.815 7.569 258 HG3 GLU 40 2HG GLU 40 0.908 7.530 7.463 259 H LEU 41 H LEU 41 -2.221 4.605 10.074 260 HA LEU 41 HA LEU 41 -4.279 4.554 11.014 261 HB2 LEU 41 1HB LEU 41 -4.654 7.117 9.431 262 HB3 LEU 41 2HB LEU 41 -5.489 6.667 10.920 263 HG LEU 41 HG LEU 41 -2.499 7.224 10.663 264 HD11 LEU 41 1HD1 LEU 41 -4.730 8.886 11.889 265 HD12 LEU 41 2HD1 LEU 41 -2.992 9.265 11.926 266 HD13 LEU 41 3HD1 LEU 41 -3.849 9.227 10.381 267 HD21 LEU 41 3HD2 LEU 41 -2.916 5.615 12.469 268 HD22 LEU 41 1HD2 LEU 41 -2.492 7.193 13.133 269 HD23 LEU 41 2HD2 LEU 41 -4.190 6.660 13.136 270 H THR 42 H THR 42 -6.584 6.065 9.222 271 HA THR 42 HA THR 42 -7.836 3.590 8.533 272 HB THR 42 HB THR 42 -8.585 6.306 7.408 273 HG1 THR 42 1HG THR 42 -8.642 6.713 9.447 274 HG21 THR 42 3HG2 THR 42 -9.831 4.523 6.380 275 HG22 THR 42 1HG2 THR 42 -10.102 3.711 7.937 276 HG23 THR 42 2HG2 THR 42 -10.886 5.260 7.581 277 H GLY 43 H GLY 43 -5.537 5.644 6.761 278 HA2 GLY 43 1HA GLY 43 -6.188 4.707 4.140 279 HA3 GLY 43 2HA GLY 43 -4.684 5.503 4.658 280 H ASN 44 H ASN 44 -3.880 3.795 6.660 281 HA ASN 44 HA ASN 44 -2.611 1.622 5.352 282 HB2 ASN 44 1HB ASN 44 -1.903 2.616 7.562 283 HB3 ASN 44 2HB ASN 44 -3.236 1.759 8.337 284 HD21 ASN 44 1HD2 ASN 44 -0.262 1.451 6.501 285 HD22 ASN 44 2HD2 ASN 44 0.051 -0.236 6.923 286 H THR 45 H THR 45 -5.395 1.743 7.551 287 HA THR 45 HA THR 45 -6.184 -0.921 7.478 288 HB THR 45 HB THR 45 -8.206 1.345 7.492 289 HG1 THR 45 1HG THR 45 -6.389 1.777 9.043 290 HG21 THR 45 3HG2 THR 45 -9.105 -0.942 7.606 291 HG22 THR 45 1HG2 THR 45 -8.037 -1.305 8.984 292 HG23 THR 45 2HG2 THR 45 -9.327 -0.104 9.160 293 H MET 46 H MET 46 -7.307 1.688 5.212 294 HA MET 46 HA MET 46 -8.980 -0.101 3.733 295 HB2 MET 46 1HB MET 46 -7.937 2.681 3.036 296 HB3 MET 46 2HB MET 46 -9.014 1.727 2.015 297 HG2 MET 46 1HG MET 46 -10.394 1.467 4.285 298 HG3 MET 46 2HG MET 46 -9.542 2.948 4.703 299 HE1 MET 46 3HE MET 46 -13.177 4.092 3.976 300 HE2 MET 46 1HE MET 46 -12.572 2.627 4.777 301 HE3 MET 46 2HE MET 46 -11.802 4.198 5.093 302 H CYS 47 H CYS 47 -5.565 0.899 3.282 303 HA CYS 47 HA CYS 47 -5.120 -0.378 0.779 304 HB2 CYS 47 1HB CYS 47 -3.588 1.208 1.818 305 HB3 CYS 47 2HB CYS 47 -3.261 0.099 3.135 306 H LEU 48 H LEU 48 -4.749 -1.652 4.118 307 HA LEU 48 HA LEU 48 -4.102 -4.312 3.399 308 HB2 LEU 48 1HB LEU 48 -5.574 -3.169 5.806 309 HB3 LEU 48 2HB LEU 48 -5.030 -4.819 5.685 310 HG LEU 48 HG LEU 48 -3.232 -2.348 5.572 311 HD11 LEU 48 1HD1 LEU 48 -2.453 -3.146 7.788 312 HD12 LEU 48 2HD1 LEU 48 -4.158 -2.664 7.761 313 HD13 LEU 48 3HD1 LEU 48 -3.710 -4.397 7.755 314 HD21 LEU 48 3HD2 LEU 48 -2.357 -5.243 5.722 315 HD22 LEU 48 1HD2 LEU 48 -2.208 -4.192 4.289 316 HD23 LEU 48 2HD2 LEU 48 -1.369 -3.751 5.761 317 H LEU 49 H LEU 49 -7.277 -2.846 4.013 318 HA LEU 49 HA LEU 49 -8.910 -5.081 3.585 319 HB2 LEU 49 1HB LEU 49 -9.283 -2.223 3.734 320 HB3 LEU 49 2HB LEU 49 -10.161 -2.809 2.336 321 HG LEU 49 HG LEU 49 -11.213 -4.570 3.866 322 HD11 LEU 49 1HD1 LEU 49 -11.157 -4.102 6.298 323 HD12 LEU 49 2HD1 LEU 49 -9.532 -4.453 5.709 324 HD13 LEU 49 3HD1 LEU 49 -10.003 -2.775 6.033 325 HD21 LEU 49 3HD2 LEU 49 -11.698 -1.625 4.511 326 HD22 LEU 49 1HD2 LEU 49 -12.403 -2.533 3.156 327 HD23 LEU 49 2HD2 LEU 49 -12.828 -2.961 4.818 328 H GLN 50 H GLN 50 -7.342 -3.086 1.067 329 HA GLN 50 HA GLN 50 -8.640 -4.643 -1.055 330 HB2 GLN 50 1HB GLN 50 -8.093 -2.177 -1.147 331 HB3 GLN 50 2HB GLN 50 -6.401 -2.613 -1.198 332 HG2 GLN 50 1HG GLN 50 -7.013 -2.226 -3.450 333 HG3 GLN 50 2HG GLN 50 -6.941 -3.977 -3.303 334 HE21 GLN 50 1HE2 GLN 50 -8.511 -4.747 -4.756 335 HE22 GLN 50 2HE2 GLN 50 -10.166 -4.208 -4.726 336 H ALA 51 H ALA 51 -5.294 -4.301 0.323 337 HA ALA 51 HA ALA 51 -3.982 -5.983 -1.505 338 HB1 ALA 51 1HB ALA 51 -2.162 -6.020 0.135 339 HB2 ALA 51 2HB ALA 51 -2.852 -4.390 0.060 340 HB3 ALA 51 3HB ALA 51 -3.251 -5.464 1.415 341 H GLY 52 H GLY 52 -5.292 -6.795 1.753 342 HA2 GLY 52 1HA GLY 52 -4.814 -9.681 1.286 343 HA3 GLY 52 2HA GLY 52 -5.286 -8.890 2.788 344 H ALA 53 H ALA 53 -7.033 -8.050 -0.130 345 HA ALA 53 HA ALA 53 -9.380 -7.817 1.061 346 HB1 ALA 53 1HB ALA 53 -9.190 -7.038 -1.172 347 HB2 ALA 53 2HB ALA 53 -8.883 -8.670 -1.815 348 HB3 ALA 53 3HB ALA 53 -10.490 -8.237 -1.198 349 H ALA 54 H ALA 54 -8.889 -10.830 -0.833 350 HA ALA 54 HA ALA 54 -10.069 -12.370 1.276 351 HB1 ALA 54 1HB ALA 54 -11.500 -12.335 -1.419 352 HB2 ALA 54 2HB ALA 54 -11.926 -13.263 0.045 353 HB3 ALA 54 3HB ALA 54 -12.095 -11.506 0.045 354 H GLY 55 H GLY 55 -7.550 -12.264 0.188 355 HA2 GLY 55 1HA GLY 55 -6.387 -14.533 -0.242 356 HA3 GLY 55 2HA GLY 55 -7.230 -14.444 -1.805 357 H SER 56 H SER 56 -6.799 -12.591 -3.207 358 HA SER 56 HA SER 56 -5.158 -11.886 -4.630 359 HB2 SER 56 1HB SER 56 -4.720 -10.478 -2.032 360 HB3 SER 56 2HB SER 56 -3.755 -10.015 -3.464 361 HG SER 56 HG SER 56 -5.436 -9.104 -4.285 362 H GLY 57 H GLY 57 -2.392 -11.346 -4.377 363 HA2 GLY 57 1HA GLY 57 -1.161 -13.765 -3.140 364 HA3 GLY 57 2HA GLY 57 -0.699 -13.122 -4.726 365 H CYS 58 H CYS 58 -1.651 -10.870 -2.299 366 HA CYS 58 HA CYS 58 0.953 -9.622 -2.095 367 HB2 CYS 58 1HB CYS 58 -1.685 -9.143 -0.631 368 HB3 CYS 58 2HB CYS 58 -0.302 -8.068 -0.613 369 H ASP 59 H ASP 59 1.733 -9.122 0.226 370 HA ASP 59 HA ASP 59 1.741 -11.715 1.693 371 HB2 ASP 59 1HB ASP 59 3.875 -10.178 0.854 372 HB3 ASP 59 2HB ASP 59 3.711 -9.689 2.544 373 H MET 60 H MET 60 1.458 -11.767 3.996 374 HA MET 60 HA MET 60 0.057 -9.437 5.195 375 HB2 MET 60 1HB MET 60 -0.976 -12.290 4.944 376 HB3 MET 60 2HB MET 60 -1.644 -11.094 6.057 377 HG2 MET 60 1HG MET 60 -1.434 -10.539 3.085 378 HG3 MET 60 2HG MET 60 -2.742 -11.467 3.726 379 HE1 MET 60 3HE MET 60 -4.961 -8.905 5.593 380 HE2 MET 60 1HE MET 60 -4.778 -10.559 4.982 381 HE3 MET 60 2HE MET 60 -3.829 -10.013 6.389 382 H GLU 61 H GLU 61 1.336 -9.018 6.898 383 HA GLU 61 HA GLU 61 2.648 -11.183 8.400 384 HB2 GLU 61 1HB GLU 61 3.571 -9.513 9.791 385 HB3 GLU 61 2HB GLU 61 3.777 -9.013 8.110 386 HG2 GLU 61 1HG GLU 61 2.165 -7.344 8.277 387 HG3 GLU 61 2HG GLU 61 1.591 -7.882 9.869 Start of MODEL 6 1 H1 TYR 1 H TYR 1 -13.949 8.215 1.750 2 HA TYR 1 HA TYR 1 -12.354 9.727 3.713 3 HB2 TYR 1 1HB TYR 1 -12.916 7.683 4.751 4 HB3 TYR 1 2HB TYR 1 -12.590 6.741 3.298 5 HD1 TYR 1 1HD TYR 1 -10.679 9.371 5.238 6 HD2 TYR 1 2HD TYR 1 -10.599 5.387 3.482 7 HE1 TYR 1 1HE TYR 1 -8.277 9.201 5.683 8 HE2 TYR 1 2HE TYR 1 -8.210 5.289 3.879 9 HH TYR 1 HH TYR 1 -6.411 7.775 5.643 10 H ASN 2 H ASN 2 -11.137 7.120 1.782 11 HA ASN 2 HA ASN 2 -10.038 6.950 -0.176 12 HB2 ASN 2 1HB ASN 2 -10.384 9.567 -0.707 13 HB3 ASN 2 2HB ASN 2 -8.768 9.681 -0.104 14 HD21 ASN 2 1HD2 ASN 2 -7.691 10.076 -2.023 15 HD22 ASN 2 2HD2 ASN 2 -7.441 8.765 -3.185 16 HA PRO 3 HA PRO 3 -6.610 6.241 2.643 17 HB2 PRO 3 1HB PRO 3 -5.017 4.656 1.011 18 HB3 PRO 3 2HB PRO 3 -6.369 4.084 2.015 19 HG2 PRO 3 1HG PRO 3 -6.303 4.566 -0.925 20 HG3 PRO 3 2HG PRO 3 -7.303 3.422 0.030 21 HD2 PRO 3 1HD PRO 3 -8.176 5.837 -1.016 22 HD3 PRO 3 2HD PRO 3 -8.986 4.899 0.280 23 H GLU 4 H GLU 4 -6.205 7.614 -0.682 24 HA GLU 4 HA GLU 4 -3.646 8.603 -0.188 25 HB2 GLU 4 1HB GLU 4 -5.715 9.970 -1.902 26 HB3 GLU 4 2HB GLU 4 -3.987 10.136 -1.953 27 HG2 GLU 4 1HG GLU 4 -5.578 7.818 -3.007 28 HG3 GLU 4 2HG GLU 4 -4.411 8.833 -3.828 29 H ASP 5 H ASP 5 -6.571 9.548 1.481 30 HA ASP 5 HA ASP 5 -5.571 12.203 2.156 31 HB2 ASP 5 1HB ASP 5 -7.955 11.122 2.424 32 HB3 ASP 5 2HB ASP 5 -7.349 10.641 3.996 33 H ASP 6 H ASP 6 -4.680 8.948 3.235 34 HA ASP 6 HA ASP 6 -2.799 10.094 5.285 35 HB2 ASP 6 1HB ASP 6 -4.139 7.389 5.355 36 HB3 ASP 6 2HB ASP 6 -2.820 7.902 6.377 37 H TYR 7 H TYR 7 -2.612 9.740 2.300 38 HA TYR 7 HA TYR 7 -0.544 7.756 1.902 39 HB2 TYR 7 1HB TYR 7 -1.634 8.484 -0.027 40 HB3 TYR 7 2HB TYR 7 -1.504 10.194 0.398 41 HD1 TYR 7 1HD TYR 7 0.733 7.240 -0.234 42 HD2 TYR 7 2HD TYR 7 -0.023 11.406 -0.907 43 HE1 TYR 7 1HE TYR 7 2.668 7.320 -1.789 44 HE2 TYR 7 2HE TYR 7 1.946 11.500 -2.490 45 HH TYR 7 HH TYR 7 3.821 8.593 -3.317 46 H THR 8 H THR 8 1.618 7.988 2.244 47 HA THR 8 HA THR 8 2.595 10.557 3.368 48 HB THR 8 HB THR 8 4.063 9.062 4.752 49 HG1 THR 8 1HG THR 8 3.980 7.113 4.066 50 HG21 THR 8 3HG2 THR 8 1.893 10.188 5.485 51 HG22 THR 8 1HG2 THR 8 1.079 8.655 5.207 52 HG23 THR 8 2HG2 THR 8 2.375 8.763 6.417 53 HA PRO 9 HA PRO 9 4.959 9.756 -0.448 54 HB2 PRO 9 1HB PRO 9 5.764 12.310 -0.983 55 HB3 PRO 9 2HB PRO 9 4.162 11.686 -1.421 56 HG2 PRO 9 1HG PRO 9 4.913 13.301 1.030 57 HG3 PRO 9 2HG PRO 9 3.538 13.566 -0.083 58 HD2 PRO 9 1HD PRO 9 3.237 12.252 2.276 59 HD3 PRO 9 2HD PRO 9 2.354 11.709 0.821 60 H LEU 10 H LEU 10 5.911 11.405 2.576 61 HA LEU 10 HA LEU 10 8.577 11.929 1.848 62 HB2 LEU 10 1HB LEU 10 7.390 11.496 4.621 63 HB3 LEU 10 2HB LEU 10 9.017 12.051 4.287 64 HG LEU 10 HG LEU 10 6.422 13.529 3.863 65 HD11 LEU 10 1HD1 LEU 10 9.076 14.292 5.177 66 HD12 LEU 10 2HD1 LEU 10 7.561 15.228 5.222 67 HD13 LEU 10 3HD1 LEU 10 7.653 13.659 6.042 68 HD21 LEU 10 3HD2 LEU 10 7.691 15.381 2.805 69 HD22 LEU 10 1HD2 LEU 10 9.072 14.283 2.591 70 HD23 LEU 10 2HD2 LEU 10 7.510 13.969 1.785 71 H THR 11 H THR 11 7.202 8.875 3.061 72 HA THR 11 HA THR 11 9.891 7.769 2.503 73 HB THR 11 HB THR 11 9.808 6.204 4.296 74 HG1 THR 11 1HG THR 11 8.266 6.417 5.953 75 HG21 THR 11 3HG2 THR 11 10.718 8.540 4.643 76 HG22 THR 11 1HG2 THR 11 9.205 8.943 5.475 77 HG23 THR 11 2HG2 THR 11 10.264 7.678 6.112 78 H CYS 12 H CYS 12 6.981 7.933 1.161 79 HA CYS 12 HA CYS 12 6.900 5.100 0.332 80 HB2 CYS 12 1HB CYS 12 4.808 6.369 0.800 81 HB3 CYS 12 2HB CYS 12 5.176 7.405 -0.571 82 HA PRO 13 HA PRO 13 9.505 6.588 -3.123 83 HB2 PRO 13 1HB PRO 13 9.766 4.007 -4.296 84 HB3 PRO 13 2HB PRO 13 10.915 4.875 -3.251 85 HG2 PRO 13 1HG PRO 13 9.083 2.659 -2.586 86 HG3 PRO 13 2HG PRO 13 10.566 3.184 -1.762 87 HD2 PRO 13 1HD PRO 13 7.940 3.648 -0.870 88 HD3 PRO 13 2HD PRO 13 9.410 4.527 -0.330 89 H HIS 14 H HIS 14 6.311 5.501 -3.088 90 HA HIS 14 HA HIS 14 6.131 5.336 -6.047 91 HB2 HIS 14 1HB HIS 14 4.062 4.111 -4.184 92 HB3 HIS 14 2HB HIS 14 4.352 3.753 -5.838 93 HD1 HIS 14 1HD HIS 14 6.964 2.509 -6.282 94 HD2 HIS 14 2HD HIS 14 5.266 2.609 -2.418 95 HE1 HIS 14 1HE HIS 14 7.405 0.371 -5.059 96 HE2 HIS 14 2HE HIS 14 6.882 0.641 -2.689 97 H THR 15 H THR 15 4.648 6.472 -7.067 98 HA THR 15 HA THR 15 4.017 8.979 -5.766 99 HB THR 15 HB THR 15 3.354 9.613 -8.105 100 HG1 THR 15 1HG THR 15 4.402 7.048 -8.772 101 HG21 THR 15 3HG2 THR 15 6.055 8.249 -7.693 102 HG22 THR 15 1HG2 THR 15 5.672 9.428 -8.968 103 HG23 THR 15 2HG2 THR 15 5.627 9.912 -7.245 104 H ILE 16 H ILE 16 1.949 10.002 -5.867 105 HA ILE 16 HA ILE 16 -0.151 8.440 -4.874 106 HB ILE 16 HB ILE 16 0.504 10.846 -4.562 107 HG12 ILE 16 1HG1 ILE 16 -2.439 10.185 -4.900 108 HG13 ILE 16 2HG1 ILE 16 -1.433 9.742 -3.511 109 HG21 ILE 16 1HG2 ILE 16 -1.409 11.480 -6.808 110 HG22 ILE 16 2HG2 ILE 16 -0.379 12.583 -5.887 111 HG23 ILE 16 3HG2 ILE 16 0.364 11.457 -7.027 112 HD11 ILE 16 3HD1 ILE 16 -0.998 12.169 -3.058 113 HD12 ILE 16 1HD1 ILE 16 -2.162 12.580 -4.342 114 HD13 ILE 16 2HD1 ILE 16 -2.702 11.706 -2.900 115 H SER 17 H SER 17 0.788 8.581 -8.105 116 HA SER 17 HA SER 17 -1.807 8.054 -9.279 117 HB2 SER 17 1HB SER 17 1.119 7.985 -10.182 118 HB3 SER 17 2HB SER 17 -0.256 7.701 -11.233 119 HG SER 17 HG SER 17 -0.979 9.781 -10.806 120 H VAL 18 H VAL 18 0.858 6.203 -7.820 121 HA VAL 18 HA VAL 18 -0.353 3.661 -8.587 122 HB VAL 18 HB VAL 18 1.662 2.721 -9.497 123 HG11 VAL 18 1HG1 VAL 18 0.217 3.893 -11.135 124 HG12 VAL 18 2HG1 VAL 18 1.248 5.332 -10.985 125 HG13 VAL 18 3HG1 VAL 18 1.916 3.799 -11.592 126 HG21 VAL 18 3HG2 VAL 18 2.879 5.144 -8.407 127 HG22 VAL 18 1HG2 VAL 18 3.549 3.529 -8.671 128 HG23 VAL 18 2HG2 VAL 18 3.517 4.692 -10.039 129 H VAL 19 H VAL 19 -0.541 4.752 -6.256 130 HA VAL 19 HA VAL 19 1.511 3.379 -4.592 131 HB VAL 19 HB VAL 19 1.486 5.669 -4.090 132 HG11 VAL 19 1HG1 VAL 19 -1.516 5.600 -3.415 133 HG12 VAL 19 2HG1 VAL 19 -0.397 6.934 -3.269 134 HG13 VAL 19 3HG1 VAL 19 -0.794 6.304 -4.867 135 HG21 VAL 19 3HG2 VAL 19 0.126 4.117 -1.872 136 HG22 VAL 19 1HG2 VAL 19 1.857 4.096 -2.275 137 HG23 VAL 19 2HG2 VAL 19 1.073 5.579 -1.687 138 H TRP 20 H TRP 20 -2.015 4.031 -4.801 139 HA TRP 20 HA TRP 20 -2.921 1.940 -3.108 140 HB2 TRP 20 1HB TRP 20 -4.284 3.820 -3.916 141 HB3 TRP 20 2HB TRP 20 -4.231 3.220 -5.562 142 HD1 TRP 20 HD TRP 20 -6.320 1.913 -6.233 143 HE1 TRP 20 1HE TRP 20 -8.199 0.622 -5.027 144 HE3 TRP 20 3HE TRP 20 -4.624 2.349 -1.433 145 HZ2 TRP 20 2HZ TRP 20 -8.769 -0.284 -2.305 146 HZ3 TRP 20 3HZ TRP 20 -5.926 1.442 0.431 147 HH2 TRP 20 HH TRP 20 -8.032 0.173 0.023 148 H TYR 21 H TYR 21 -2.841 2.037 -6.713 149 HA TYR 21 HA TYR 21 -3.221 -0.659 -7.233 150 HB2 TYR 21 1HB TYR 21 -3.202 0.921 -9.010 151 HB3 TYR 21 2HB TYR 21 -1.558 1.455 -8.626 152 HD1 TYR 21 2HD TYR 21 -3.601 -1.309 -10.072 153 HD2 TYR 21 1HD TYR 21 0.394 0.205 -9.388 154 HE1 TYR 21 2HE TYR 21 -2.684 -3.011 -11.587 155 HE2 TYR 21 1HE TYR 21 1.321 -1.621 -10.799 156 HH TYR 21 HH TYR 21 -0.462 -4.282 -11.653 157 H GLU 22 H GLU 22 -0.067 0.869 -6.160 158 HA GLU 22 HA GLU 22 1.473 -1.366 -7.024 159 HB2 GLU 22 1HB GLU 22 2.937 0.269 -7.093 160 HB3 GLU 22 2HB GLU 22 1.779 1.162 -6.298 161 HG2 GLU 22 1HG GLU 22 3.062 1.515 -4.875 162 HG3 GLU 22 2HG GLU 22 2.832 0.029 -4.066 163 H CYS 23 H CYS 23 0.046 -0.335 -3.816 164 HA CYS 23 HA CYS 23 1.428 -2.546 -2.501 165 HB2 CYS 23 1HB CYS 23 -0.271 -0.276 -1.458 166 HB3 CYS 23 2HB CYS 23 0.423 -1.554 -0.464 167 H THR 24 H THR 24 -1.301 -2.283 -4.376 168 HA THR 24 HA THR 24 -2.634 -4.207 -2.653 169 HB THR 24 HB THR 24 -4.843 -3.414 -3.165 170 HG1 THR 24 1HG THR 24 -3.478 -1.315 -4.458 171 HG21 THR 24 3HG2 THR 24 -3.781 -2.496 -1.152 172 HG22 THR 24 1HG2 THR 24 -3.091 -1.152 -2.094 173 HG23 THR 24 2HG2 THR 24 -4.842 -1.298 -1.911 174 H GLU 25 H GLU 25 -1.305 -3.795 -5.749 175 HA GLU 25 HA GLU 25 -2.827 -6.146 -6.727 176 HB2 GLU 25 1HB GLU 25 -3.569 -3.892 -7.751 177 HB3 GLU 25 2HB GLU 25 -2.002 -3.780 -8.489 178 HG2 GLU 25 1HG GLU 25 -3.342 -6.421 -8.886 179 HG3 GLU 25 2HG GLU 25 -4.230 -5.060 -9.531 180 H ASN 26 H ASN 26 -0.012 -4.005 -7.286 181 HA ASN 26 HA ASN 26 1.446 -5.871 -8.814 182 HB2 ASN 26 1HB ASN 26 1.890 -3.484 -8.864 183 HB3 ASN 26 2HB ASN 26 2.433 -3.535 -7.160 184 HD21 ASN 26 1HD2 ASN 26 4.353 -2.536 -8.275 185 HD22 ASN 26 2HD2 ASN 26 5.586 -3.619 -8.915 186 H THR 27 H THR 27 1.732 -7.893 -7.952 187 HA THR 27 HA THR 27 2.223 -8.449 -5.251 188 HB THR 27 HB THR 27 2.569 -10.706 -5.944 189 HG1 THR 27 1HG THR 27 3.906 -10.635 -7.589 190 HG21 THR 27 3HG2 THR 27 0.233 -9.715 -6.224 191 HG22 THR 27 1HG2 THR 27 0.571 -9.559 -7.950 192 HG23 THR 27 2HG2 THR 27 0.569 -11.165 -7.187 193 H ALA 28 H ALA 28 4.456 -7.056 -7.380 194 HA ALA 28 HA ALA 28 6.960 -7.994 -6.351 195 HB1 ALA 28 1HB ALA 28 7.777 -5.788 -7.045 196 HB2 ALA 28 2HB ALA 28 6.672 -6.396 -8.290 197 HB3 ALA 28 3HB ALA 28 6.131 -5.167 -7.123 198 H ASN 29 H ASN 29 4.372 -6.111 -4.896 199 HA ASN 29 HA ASN 29 6.028 -5.680 -2.480 200 HB2 ASN 29 1HB ASN 29 5.770 -3.268 -2.561 201 HB3 ASN 29 2HB ASN 29 6.520 -3.807 -4.061 202 HD21 ASN 29 1HD2 ASN 29 5.754 -2.698 -5.658 203 HD22 ASN 29 2HD2 ASN 29 4.222 -2.063 -5.815 204 H CYS 30 H CYS 30 2.746 -5.832 -3.920 205 HA CYS 30 HA CYS 30 1.457 -4.573 -1.843 206 HB2 CYS 30 1HB CYS 30 -0.553 -5.586 -2.581 207 HB3 CYS 30 2HB CYS 30 0.445 -5.264 -3.984 208 H GLY 31 H GLY 31 0.570 -5.097 0.161 209 HA2 GLY 31 1HA GLY 31 0.242 -7.244 1.686 210 HA3 GLY 31 2HA GLY 31 2.004 -7.297 1.490 211 H THR 32 H THR 32 1.224 -7.102 3.999 212 HA THR 32 HA THR 32 0.263 -4.778 5.037 213 HB THR 32 HB THR 32 2.266 -6.590 6.436 214 HG1 THR 32 1HG THR 32 0.207 -7.710 7.024 215 HG21 THR 32 3HG2 THR 32 1.514 -4.576 7.738 216 HG22 THR 32 1HG2 THR 32 -0.166 -5.123 7.539 217 HG23 THR 32 2HG2 THR 32 0.986 -6.108 8.455 218 H ALA 33 H ALA 33 3.746 -5.600 4.683 219 HA ALA 33 HA ALA 33 4.647 -3.195 5.868 220 HB1 ALA 33 1HB ALA 33 6.010 -5.259 5.594 221 HB2 ALA 33 2HB ALA 33 6.099 -4.942 3.849 222 HB3 ALA 33 3HB ALA 33 6.844 -3.815 5.009 223 H CYS 34 H CYS 34 3.558 -3.718 2.516 224 HA CYS 34 HA CYS 34 4.959 -1.334 1.501 225 HB2 CYS 34 1HB CYS 34 4.351 -3.161 0.043 226 HB3 CYS 34 2HB CYS 34 2.628 -2.876 0.303 227 H CYS 35 H CYS 35 1.652 -2.240 2.538 228 HA CYS 35 HA CYS 35 0.435 0.295 2.303 229 HB2 CYS 35 1HB CYS 35 -0.008 -1.873 4.394 230 HB3 CYS 35 2HB CYS 35 -1.069 -0.496 4.121 231 H ASP 36 H ASP 36 2.192 -1.149 5.108 232 HA ASP 36 HA ASP 36 2.114 1.285 6.619 233 HB2 ASP 36 1HB ASP 36 2.214 -1.242 7.260 234 HB3 ASP 36 2HB ASP 36 3.958 -1.032 7.177 235 H SER 37 H SER 37 3.779 0.988 3.965 236 HA SER 37 HA SER 37 5.941 2.830 4.928 237 HB2 SER 37 1HB SER 37 5.975 0.707 2.807 238 HB3 SER 37 2HB SER 37 6.819 2.222 2.456 239 HG SER 37 HG SER 37 7.619 0.238 3.973 240 H CYS 38 H CYS 38 2.917 2.787 3.334 241 HA CYS 38 HA CYS 38 3.547 5.359 1.987 242 HB2 CYS 38 1HB CYS 38 2.258 2.829 0.910 243 HB3 CYS 38 2HB CYS 38 2.072 4.381 0.147 244 H PHE 39 H PHE 39 1.408 3.584 4.014 245 HA PHE 39 HA PHE 39 -0.639 5.671 3.853 246 HB2 PHE 39 1HB PHE 39 -1.071 2.663 3.646 247 HB3 PHE 39 2HB PHE 39 -2.321 3.827 3.966 248 HD1 PHE 39 2HD PHE 39 -2.387 5.890 2.185 249 HD2 PHE 39 1HD PHE 39 -0.935 1.900 1.403 250 HE1 PHE 39 2HE PHE 39 -2.910 6.147 -0.210 251 HE2 PHE 39 1HE PHE 39 -1.526 2.144 -0.982 252 HZ PHE 39 HZ PHE 39 -2.539 4.283 -1.774 253 H GLU 40 H GLU 40 -1.406 6.068 5.832 254 HA GLU 40 HA GLU 40 -0.574 4.264 8.074 255 HB2 GLU 40 1HB GLU 40 -0.885 7.257 8.266 256 HB3 GLU 40 2HB GLU 40 -0.137 6.166 9.437 257 HG2 GLU 40 1HG GLU 40 1.510 5.608 7.432 258 HG3 GLU 40 2HG GLU 40 0.897 7.175 6.841 259 H LEU 41 H LEU 41 -1.948 4.516 10.021 260 HA LEU 41 HA LEU 41 -3.957 4.434 11.095 261 HB2 LEU 41 1HB LEU 41 -4.392 7.005 9.557 262 HB3 LEU 41 2HB LEU 41 -5.136 6.565 11.102 263 HG LEU 41 HG LEU 41 -2.175 7.119 10.610 264 HD11 LEU 41 1HD1 LEU 41 -2.566 9.171 11.882 265 HD12 LEU 41 2HD1 LEU 41 -3.589 9.118 10.440 266 HD13 LEU 41 3HD1 LEU 41 -4.291 8.777 12.034 267 HD21 LEU 41 3HD2 LEU 41 -2.431 5.514 12.449 268 HD22 LEU 41 1HD2 LEU 41 -1.966 7.093 13.074 269 HD23 LEU 41 2HD2 LEU 41 -3.660 6.565 13.214 270 H THR 42 H THR 42 -6.202 6.091 9.230 271 HA THR 42 HA THR 42 -7.819 3.799 8.696 272 HB THR 42 HB THR 42 -7.995 6.561 7.433 273 HG1 THR 42 1HG THR 42 -8.036 6.965 9.516 274 HG21 THR 42 3HG2 THR 42 -9.524 4.833 6.443 275 HG22 THR 42 1HG2 THR 42 -10.171 4.529 8.061 276 HG23 THR 42 2HG2 THR 42 -10.389 6.119 7.296 277 H GLY 43 H GLY 43 -5.467 5.648 6.702 278 HA2 GLY 43 1HA GLY 43 -6.224 4.588 4.173 279 HA3 GLY 43 2HA GLY 43 -4.687 5.365 4.581 280 H ASN 44 H ASN 44 -3.815 3.713 6.590 281 HA ASN 44 HA ASN 44 -2.566 1.549 5.285 282 HB2 ASN 44 1HB ASN 44 -1.834 2.563 7.459 283 HB3 ASN 44 2HB ASN 44 -3.147 1.704 8.268 284 HD21 ASN 44 1HD2 ASN 44 -0.124 1.413 6.527 285 HD22 ASN 44 2HD2 ASN 44 0.190 -0.244 7.034 286 H THR 45 H THR 45 -5.338 1.661 7.490 287 HA THR 45 HA THR 45 -6.076 -1.029 7.453 288 HB THR 45 HB THR 45 -8.091 1.217 7.566 289 HG1 THR 45 1HG THR 45 -6.328 1.685 9.003 290 HG21 THR 45 3HG2 THR 45 -9.113 -0.963 7.627 291 HG22 THR 45 1HG2 THR 45 -7.974 -1.516 8.867 292 HG23 THR 45 2HG2 THR 45 -9.186 -0.268 9.250 293 H MET 46 H MET 46 -7.169 1.548 5.164 294 HA MET 46 HA MET 46 -8.898 -0.255 3.719 295 HB2 MET 46 1HB MET 46 -7.750 2.448 2.900 296 HB3 MET 46 2HB MET 46 -8.840 1.482 1.927 297 HG2 MET 46 1HG MET 46 -10.007 1.608 4.511 298 HG3 MET 46 2HG MET 46 -9.434 3.231 4.145 299 HE1 MET 46 3HE MET 46 -12.094 0.502 3.552 300 HE2 MET 46 1HE MET 46 -12.714 0.824 1.922 301 HE3 MET 46 2HE MET 46 -11.061 0.204 2.138 302 H CYS 47 H CYS 47 -5.462 0.722 3.283 303 HA CYS 47 HA CYS 47 -5.026 -0.589 0.788 304 HB2 CYS 47 1HB CYS 47 -3.507 1.040 1.765 305 HB3 CYS 47 2HB CYS 47 -3.154 -0.025 3.115 306 H LEU 48 H LEU 48 -4.540 -1.795 4.147 307 HA LEU 48 HA LEU 48 -3.943 -4.460 3.553 308 HB2 LEU 48 1HB LEU 48 -5.567 -3.278 5.843 309 HB3 LEU 48 2HB LEU 48 -4.980 -4.918 5.780 310 HG LEU 48 HG LEU 48 -3.233 -2.419 5.805 311 HD11 LEU 48 1HD1 LEU 48 -3.809 -4.456 7.983 312 HD12 LEU 48 2HD1 LEU 48 -2.656 -3.112 8.092 313 HD13 LEU 48 3HD1 LEU 48 -4.381 -2.771 7.941 314 HD21 LEU 48 3HD2 LEU 48 -2.343 -5.310 6.034 315 HD22 LEU 48 1HD2 LEU 48 -2.084 -4.251 4.632 316 HD23 LEU 48 2HD2 LEU 48 -1.350 -3.829 6.176 317 H LEU 49 H LEU 49 -7.124 -2.922 4.011 318 HA LEU 49 HA LEU 49 -8.780 -5.130 3.656 319 HB2 LEU 49 1HB LEU 49 -9.106 -2.392 3.965 320 HB3 LEU 49 2HB LEU 49 -9.848 -2.647 2.410 321 HG LEU 49 HG LEU 49 -10.527 -4.384 4.807 322 HD11 LEU 49 1HD1 LEU 49 -10.733 -2.072 5.560 323 HD12 LEU 49 2HD1 LEU 49 -11.738 -1.676 4.150 324 HD13 LEU 49 3HD1 LEU 49 -12.336 -2.807 5.379 325 HD21 LEU 49 3HD2 LEU 49 -12.761 -4.503 3.662 326 HD22 LEU 49 1HD2 LEU 49 -12.090 -3.571 2.313 327 HD23 LEU 49 2HD2 LEU 49 -11.441 -5.179 2.704 328 H GLN 50 H GLN 50 -7.359 -3.132 0.972 329 HA GLN 50 HA GLN 50 -8.742 -4.788 -1.001 330 HB2 GLN 50 1HB GLN 50 -8.276 -2.368 -1.331 331 HB3 GLN 50 2HB GLN 50 -6.551 -2.724 -1.347 332 HG2 GLN 50 1HG GLN 50 -7.253 -2.497 -3.623 333 HG3 GLN 50 2HG GLN 50 -6.957 -4.210 -3.373 334 HE21 GLN 50 1HE2 GLN 50 -8.757 -5.692 -3.588 335 HE22 GLN 50 2HE2 GLN 50 -10.366 -5.193 -3.964 336 H ALA 51 H ALA 51 -5.310 -4.416 0.149 337 HA ALA 51 HA ALA 51 -4.149 -6.197 -1.704 338 HB1 ALA 51 1HB ALA 51 -3.289 -5.614 1.175 339 HB2 ALA 51 2HB ALA 51 -2.263 -6.258 -0.121 340 HB3 ALA 51 3HB ALA 51 -2.894 -4.606 -0.236 341 H GLY 52 H GLY 52 -5.722 -6.846 1.407 342 HA2 GLY 52 1HA GLY 52 -5.309 -9.776 1.050 343 HA3 GLY 52 2HA GLY 52 -5.583 -8.936 2.582 344 H ALA 53 H ALA 53 -7.375 -8.342 -0.480 345 HA ALA 53 HA ALA 53 -9.800 -8.003 0.727 346 HB1 ALA 53 1HB ALA 53 -9.207 -8.892 -2.126 347 HB2 ALA 53 2HB ALA 53 -10.799 -8.365 -1.557 348 HB3 ALA 53 3HB ALA 53 -9.437 -7.239 -1.526 349 H ALA 54 H ALA 54 -9.101 -10.995 -1.156 350 HA ALA 54 HA ALA 54 -9.800 -12.689 1.018 351 HB1 ALA 54 1HB ALA 54 -12.121 -12.167 0.539 352 HB2 ALA 54 2HB ALA 54 -11.889 -12.517 -1.179 353 HB3 ALA 54 3HB ALA 54 -11.772 -13.819 0.012 354 H GLY 55 H GLY 55 -7.576 -13.134 0.180 355 HA2 GLY 55 1HA GLY 55 -6.582 -15.250 -0.458 356 HA3 GLY 55 2HA GLY 55 -7.682 -15.357 -1.822 357 H SER 56 H SER 56 -6.993 -12.316 -2.146 358 HA SER 56 HA SER 56 -6.247 -12.238 -4.508 359 HB2 SER 56 1HB SER 56 -4.938 -10.254 -2.642 360 HB3 SER 56 2HB SER 56 -5.692 -9.969 -4.214 361 HG SER 56 HG SER 56 -7.727 -10.499 -3.244 362 H GLY 57 H GLY 57 -3.235 -11.236 -2.813 363 HA2 GLY 57 1HA GLY 57 -1.566 -13.375 -3.547 364 HA3 GLY 57 2HA GLY 57 -1.710 -12.322 -4.961 365 H CYS 58 H CYS 58 -1.499 -11.617 -1.420 366 HA CYS 58 HA CYS 58 0.814 -9.823 -1.997 367 HB2 CYS 58 1HB CYS 58 -1.710 -9.213 -0.407 368 HB3 CYS 58 2HB CYS 58 -0.311 -8.178 -0.502 369 H ASP 59 H ASP 59 2.076 -9.329 -0.159 370 HA ASP 59 HA ASP 59 2.471 -11.676 1.564 371 HB2 ASP 59 1HB ASP 59 4.384 -10.712 0.395 372 HB3 ASP 59 2HB ASP 59 4.111 -9.161 1.196 373 H MET 60 H MET 60 0.632 -11.472 2.843 374 HA MET 60 HA MET 60 0.206 -9.041 4.441 375 HB2 MET 60 1HB MET 60 -1.357 -11.610 4.109 376 HB3 MET 60 2HB MET 60 -1.884 -10.226 5.085 377 HG2 MET 60 1HG MET 60 -2.495 -9.010 3.264 378 HG3 MET 60 2HG MET 60 -1.141 -9.540 2.292 379 HE1 MET 60 3HE MET 60 -4.969 -12.100 2.843 380 HE2 MET 60 1HE MET 60 -3.631 -12.156 3.999 381 HE3 MET 60 2HE MET 60 -4.567 -10.661 3.814 382 H GLU 61 H GLU 61 1.582 -8.945 6.140 383 HA GLU 61 HA GLU 61 2.195 -11.171 7.970 384 HB2 GLU 61 1HB GLU 61 2.465 -8.148 8.381 385 HB3 GLU 61 2HB GLU 61 3.019 -9.443 9.458 386 HG2 GLU 61 1HG GLU 61 4.378 -10.281 7.423 387 HG3 GLU 61 2HG GLU 61 4.091 -8.687 6.727 Start of MODEL 7 1 H1 TYR 1 H TYR 1 -14.400 8.330 0.631 2 HA TYR 1 HA TYR 1 -13.318 8.960 2.635 3 HB2 TYR 1 1HB TYR 1 -13.481 6.868 3.791 4 HB3 TYR 1 2HB TYR 1 -12.376 6.082 2.661 5 HD1 TYR 1 1HD TYR 1 -12.431 9.247 4.768 6 HD2 TYR 1 2HD TYR 1 -10.166 5.818 3.389 7 HE1 TYR 1 1HE TYR 1 -10.440 10.049 5.991 8 HE2 TYR 1 2HE TYR 1 -8.229 6.561 4.611 9 HH TYR 1 HH TYR 1 -7.342 8.379 6.203 10 H ASN 2 H ASN 2 -11.229 6.648 0.995 11 HA ASN 2 HA ASN 2 -9.886 6.746 -0.706 12 HB2 ASN 2 1HB ASN 2 -10.417 9.473 -1.026 13 HB3 ASN 2 2HB ASN 2 -8.738 9.441 -0.652 14 HD21 ASN 2 1HD2 ASN 2 -7.849 9.786 -2.788 15 HD22 ASN 2 2HD2 ASN 2 -7.983 8.495 -3.985 16 HA PRO 3 HA PRO 3 -6.743 6.076 2.450 17 HB2 PRO 3 1HB PRO 3 -5.224 4.920 0.146 18 HB3 PRO 3 2HB PRO 3 -5.613 4.154 1.709 19 HG2 PRO 3 1HG PRO 3 -6.881 3.666 -0.752 20 HG3 PRO 3 2HG PRO 3 -7.602 3.311 0.856 21 HD2 PRO 3 1HD PRO 3 -8.218 5.388 -1.111 22 HD3 PRO 3 2HD PRO 3 -9.187 4.776 0.275 23 H GLU 4 H GLU 4 -6.260 7.552 -0.746 24 HA GLU 4 HA GLU 4 -3.700 8.559 -0.272 25 HB2 GLU 4 1HB GLU 4 -5.903 9.872 -1.894 26 HB3 GLU 4 2HB GLU 4 -4.183 10.179 -2.019 27 HG2 GLU 4 1HG GLU 4 -5.650 7.687 -2.894 28 HG3 GLU 4 2HG GLU 4 -4.779 8.834 -3.896 29 H ASP 5 H ASP 5 -6.704 9.536 1.315 30 HA ASP 5 HA ASP 5 -5.905 12.149 2.083 31 HB2 ASP 5 1HB ASP 5 -8.148 10.906 2.484 32 HB3 ASP 5 2HB ASP 5 -7.353 10.194 3.894 33 H ASP 6 H ASP 6 -4.683 9.051 3.148 34 HA ASP 6 HA ASP 6 -3.117 10.178 5.467 35 HB2 ASP 6 1HB ASP 6 -4.295 7.472 4.875 36 HB3 ASP 6 2HB ASP 6 -3.076 7.735 6.128 37 H TYR 7 H TYR 7 -2.548 10.075 2.435 38 HA TYR 7 HA TYR 7 -0.535 8.141 1.890 39 HB2 TYR 7 1HB TYR 7 -1.790 9.149 0.141 40 HB3 TYR 7 2HB TYR 7 -1.419 10.774 0.692 41 HD1 TYR 7 2HD TYR 7 0.152 7.702 -0.825 42 HD2 TYR 7 1HD TYR 7 0.318 11.977 -0.243 43 HE1 TYR 7 2HE TYR 7 1.975 7.867 -2.518 44 HE2 TYR 7 1HE TYR 7 2.094 12.143 -1.991 45 HH TYR 7 HH TYR 7 3.974 9.860 -2.972 46 H THR 8 H THR 8 1.498 8.100 2.801 47 HA THR 8 HA THR 8 2.657 10.579 3.854 48 HB THR 8 HB THR 8 4.131 8.867 5.053 49 HG1 THR 8 1HG THR 8 3.178 6.808 5.241 50 HG21 THR 8 3HG2 THR 8 1.179 8.622 5.683 51 HG22 THR 8 1HG2 THR 8 2.548 8.512 6.801 52 HG23 THR 8 2HG2 THR 8 2.138 10.067 6.067 53 HA PRO 9 HA PRO 9 4.740 9.696 -0.145 54 HB2 PRO 9 1HB PRO 9 5.748 12.273 -0.677 55 HB3 PRO 9 2HB PRO 9 4.189 11.620 -1.211 56 HG2 PRO 9 1HG PRO 9 4.785 13.374 1.158 57 HG3 PRO 9 2HG PRO 9 3.374 13.417 0.067 58 HD2 PRO 9 1HD PRO 9 3.266 12.300 2.560 59 HD3 PRO 9 2HD PRO 9 2.349 11.620 1.183 60 H LEU 10 H LEU 10 6.258 11.436 2.605 61 HA LEU 10 HA LEU 10 8.905 11.506 1.788 62 HB2 LEU 10 1HB LEU 10 7.562 11.098 4.495 63 HB3 LEU 10 2HB LEU 10 9.263 11.440 4.301 64 HG LEU 10 HG LEU 10 7.718 13.299 4.986 65 HD11 LEU 10 1HD1 LEU 10 10.034 13.685 4.232 66 HD12 LEU 10 2HD1 LEU 10 9.465 13.837 2.554 67 HD13 LEU 10 3HD1 LEU 10 8.980 15.029 3.779 68 HD21 LEU 10 3HD2 LEU 10 6.589 14.693 3.424 69 HD22 LEU 10 1HD2 LEU 10 6.968 13.605 2.082 70 HD23 LEU 10 2HD2 LEU 10 5.880 13.085 3.413 71 H THR 11 H THR 11 7.061 8.931 3.547 72 HA THR 11 HA THR 11 9.339 7.135 3.604 73 HB THR 11 HB THR 11 7.409 5.703 4.706 74 HG1 THR 11 1HG THR 11 5.641 6.877 4.262 75 HG21 THR 11 3HG2 THR 11 7.804 6.933 6.815 76 HG22 THR 11 1HG2 THR 11 9.297 6.660 5.914 77 HG23 THR 11 2HG2 THR 11 8.546 8.268 5.893 78 H CYS 12 H CYS 12 6.762 7.800 1.387 79 HA CYS 12 HA CYS 12 6.602 5.034 0.510 80 HB2 CYS 12 1HB CYS 12 4.653 6.515 0.781 81 HB3 CYS 12 2HB CYS 12 5.191 7.455 -0.588 82 HA PRO 13 HA PRO 13 9.548 6.033 -2.820 83 HB2 PRO 13 1HB PRO 13 9.804 3.498 -3.861 84 HB3 PRO 13 2HB PRO 13 10.637 4.054 -2.367 85 HG2 PRO 13 1HG PRO 13 8.067 2.504 -2.635 86 HG3 PRO 13 2HG PRO 13 9.449 2.149 -1.571 87 HD2 PRO 13 1HD PRO 13 7.239 3.443 -0.686 88 HD3 PRO 13 2HD PRO 13 8.872 3.895 -0.098 89 H HIS 14 H HIS 14 6.266 5.466 -3.031 90 HA HIS 14 HA HIS 14 6.221 5.285 -6.007 91 HB2 HIS 14 1HB HIS 14 3.983 4.383 -4.162 92 HB3 HIS 14 2HB HIS 14 4.272 3.913 -5.835 93 HD1 HIS 14 1HD HIS 14 6.781 2.504 -6.160 94 HD2 HIS 14 2HD HIS 14 4.514 2.351 -2.575 95 HE1 HIS 14 1HE HIS 14 7.075 0.260 -5.157 96 HE2 HIS 14 2HE HIS 14 5.964 0.172 -2.909 97 H THR 15 H THR 15 4.568 6.689 -7.037 98 HA THR 15 HA THR 15 4.187 9.107 -5.412 99 HB THR 15 HB THR 15 3.693 10.145 -7.553 100 HG1 THR 15 1HG THR 15 3.801 8.987 -9.432 101 HG21 THR 15 3HG2 THR 15 6.108 9.624 -6.756 102 HG22 THR 15 1HG2 THR 15 6.116 8.359 -7.998 103 HG23 THR 15 2HG2 THR 15 5.875 10.071 -8.447 104 H ILE 16 H ILE 16 2.056 10.245 -5.550 105 HA ILE 16 HA ILE 16 -0.060 8.626 -4.803 106 HB ILE 16 HB ILE 16 0.390 11.024 -4.286 107 HG12 ILE 16 1HG1 ILE 16 -2.469 10.431 -5.124 108 HG13 ILE 16 2HG1 ILE 16 -1.684 9.804 -3.675 109 HG21 ILE 16 1HG2 ILE 16 -1.060 11.645 -6.882 110 HG22 ILE 16 2HG2 ILE 16 -0.430 12.799 -5.695 111 HG23 ILE 16 3HG2 ILE 16 0.697 11.823 -6.628 112 HD11 ILE 16 3HD1 ILE 16 -1.298 12.107 -2.845 113 HD12 ILE 16 1HD1 ILE 16 -2.186 12.748 -4.254 114 HD13 ILE 16 2HD1 ILE 16 -3.009 11.736 -3.062 115 H SER 17 H SER 17 1.060 9.105 -7.950 116 HA SER 17 HA SER 17 -1.313 8.697 -9.544 117 HB2 SER 17 1HB SER 17 0.744 9.646 -10.434 118 HB3 SER 17 2HB SER 17 1.649 8.209 -9.971 119 HG SER 17 HG SER 17 -0.484 8.046 -11.833 120 H VAL 18 H VAL 18 1.080 6.546 -7.920 121 HA VAL 18 HA VAL 18 -0.548 4.130 -8.472 122 HB VAL 18 HB VAL 18 1.497 3.008 -9.306 123 HG11 VAL 18 1HG1 VAL 18 0.864 5.421 -11.028 124 HG12 VAL 18 2HG1 VAL 18 1.610 3.887 -11.536 125 HG13 VAL 18 3HG1 VAL 18 -0.070 3.911 -10.970 126 HG21 VAL 18 3HG2 VAL 18 3.467 3.912 -8.863 127 HG22 VAL 18 1HG2 VAL 18 3.178 5.224 -10.054 128 HG23 VAL 18 2HG2 VAL 18 2.748 5.408 -8.324 129 H VAL 19 H VAL 19 -0.642 4.980 -6.143 130 HA VAL 19 HA VAL 19 1.483 3.531 -4.627 131 HB VAL 19 HB VAL 19 1.517 5.744 -4.109 132 HG11 VAL 19 1HG1 VAL 19 -0.826 6.489 -4.743 133 HG12 VAL 19 2HG1 VAL 19 -1.470 5.701 -3.304 134 HG13 VAL 19 3HG1 VAL 19 -0.391 7.060 -3.145 135 HG21 VAL 19 3HG2 VAL 19 1.296 5.768 -1.723 136 HG22 VAL 19 1HG2 VAL 19 0.169 4.407 -1.764 137 HG23 VAL 19 2HG2 VAL 19 1.846 4.170 -2.267 138 H TRP 20 H TRP 20 -2.050 4.049 -4.633 139 HA TRP 20 HA TRP 20 -2.796 2.035 -2.802 140 HB2 TRP 20 1HB TRP 20 -4.276 3.745 -3.669 141 HB3 TRP 20 2HB TRP 20 -4.134 3.154 -5.316 142 HD1 TRP 20 HD TRP 20 -6.030 1.618 -6.081 143 HE1 TRP 20 1HE TRP 20 -7.848 0.233 -4.983 144 HE3 TRP 20 3HE TRP 20 -4.584 2.256 -1.240 145 HZ2 TRP 20 2HZ TRP 20 -8.730 -0.347 -2.195 146 HZ3 TRP 20 3HZ TRP 20 -5.973 1.399 0.601 147 HH2 TRP 20 HH TRP 20 -8.074 0.113 0.118 148 H TYR 21 H TYR 21 -3.226 1.762 -6.284 149 HA TYR 21 HA TYR 21 -3.415 -0.911 -6.635 150 HB2 TYR 21 1HB TYR 21 -3.766 0.642 -8.435 151 HB3 TYR 21 2HB TYR 21 -2.114 1.250 -8.336 152 HD1 TYR 21 1HD TYR 21 -0.181 -0.091 -9.118 153 HD2 TYR 21 2HD TYR 21 -4.260 -1.413 -9.696 154 HE1 TYR 21 1HE TYR 21 0.629 -1.922 -10.494 155 HE2 TYR 21 2HE TYR 21 -3.459 -3.162 -11.235 156 HH TYR 21 HH TYR 21 -1.205 -4.597 -11.205 157 H GLU 22 H GLU 22 -0.266 0.871 -6.247 158 HA GLU 22 HA GLU 22 1.290 -1.284 -7.287 159 HB2 GLU 22 1HB GLU 22 2.721 0.617 -7.411 160 HB3 GLU 22 2HB GLU 22 1.478 1.455 -6.564 161 HG2 GLU 22 1HG GLU 22 3.425 1.807 -5.514 162 HG3 GLU 22 2HG GLU 22 2.597 0.781 -4.394 163 H CYS 23 H CYS 23 -0.021 -0.406 -4.079 164 HA CYS 23 HA CYS 23 1.590 -2.493 -2.766 165 HB2 CYS 23 1HB CYS 23 0.264 0.023 -1.722 166 HB3 CYS 23 2HB CYS 23 0.728 -1.297 -0.670 167 H THR 24 H THR 24 -1.427 -2.177 -4.215 168 HA THR 24 HA THR 24 -2.563 -4.102 -2.291 169 HB THR 24 HB THR 24 -4.777 -3.243 -2.778 170 HG1 THR 24 1HG THR 24 -4.470 -2.386 -4.828 171 HG21 THR 24 3HG2 THR 24 -2.938 -0.997 -1.898 172 HG22 THR 24 1HG2 THR 24 -4.680 -1.125 -1.613 173 HG23 THR 24 2HG2 THR 24 -3.572 -2.294 -0.873 174 H GLU 25 H GLU 25 -1.460 -3.807 -5.512 175 HA GLU 25 HA GLU 25 -3.133 -6.146 -6.281 176 HB2 GLU 25 1HB GLU 25 -3.766 -3.890 -7.306 177 HB3 GLU 25 2HB GLU 25 -2.263 -3.923 -8.192 178 HG2 GLU 25 1HG GLU 25 -3.890 -6.425 -8.332 179 HG3 GLU 25 2HG GLU 25 -4.659 -5.002 -8.999 180 H ASN 26 H ASN 26 -0.225 -4.296 -7.211 181 HA ASN 26 HA ASN 26 0.845 -6.284 -8.874 182 HB2 ASN 26 1HB ASN 26 1.520 -3.976 -9.057 183 HB3 ASN 26 2HB ASN 26 2.183 -3.993 -7.409 184 HD21 ASN 26 1HD2 ASN 26 4.067 -3.147 -8.718 185 HD22 ASN 26 2HD2 ASN 26 5.249 -4.384 -9.142 186 H THR 27 H THR 27 0.919 -8.284 -7.985 187 HA THR 27 HA THR 27 1.426 -8.994 -5.450 188 HB THR 27 HB THR 27 1.995 -11.281 -6.341 189 HG1 THR 27 1HG THR 27 2.379 -9.900 -8.617 190 HG21 THR 27 3HG2 THR 27 -0.307 -10.580 -5.738 191 HG22 THR 27 1HG2 THR 27 -0.528 -9.920 -7.367 192 HG23 THR 27 2HG2 THR 27 -0.289 -11.664 -7.136 193 H ALA 28 H ALA 28 3.991 -8.254 -7.705 194 HA ALA 28 HA ALA 28 6.172 -9.436 -6.326 195 HB1 ALA 28 1HB ALA 28 6.048 -6.945 -8.096 196 HB2 ALA 28 2HB ALA 28 7.520 -7.839 -7.671 197 HB3 ALA 28 3HB ALA 28 6.266 -8.617 -8.660 198 H ASN 29 H ASN 29 4.274 -6.578 -5.581 199 HA ASN 29 HA ASN 29 6.422 -5.422 -3.876 200 HB2 ASN 29 1HB ASN 29 4.046 -4.196 -5.343 201 HB3 ASN 29 2HB ASN 29 5.157 -3.345 -4.281 202 HD21 ASN 29 1HD2 ASN 29 5.263 -2.028 -6.080 203 HD22 ASN 29 2HD2 ASN 29 6.443 -2.319 -7.384 204 H CYS 30 H CYS 30 2.911 -5.737 -4.200 205 HA CYS 30 HA CYS 30 2.177 -4.327 -1.982 206 HB2 CYS 30 1HB CYS 30 -0.048 -5.426 -2.232 207 HB3 CYS 30 2HB CYS 30 0.640 -4.776 -3.704 208 H GLY 31 H GLY 31 0.655 -5.177 -0.169 209 HA2 GLY 31 1HA GLY 31 0.291 -7.003 1.386 210 HA3 GLY 31 2HA GLY 31 2.044 -7.278 1.422 211 H THR 32 H THR 32 1.053 -6.902 3.826 212 HA THR 32 HA THR 32 0.311 -4.428 4.718 213 HB THR 32 HB THR 32 1.903 -6.555 6.201 214 HG1 THR 32 1HG THR 32 -0.644 -6.455 5.206 215 HG21 THR 32 3HG2 THR 32 0.812 -5.851 8.220 216 HG22 THR 32 1HG2 THR 32 1.747 -4.498 7.557 217 HG23 THR 32 2HG2 THR 32 -0.022 -4.535 7.395 218 H ALA 33 H ALA 33 3.666 -5.644 4.639 219 HA ALA 33 HA ALA 33 4.941 -3.357 5.655 220 HB1 ALA 33 1HB ALA 33 5.909 -5.408 3.595 221 HB2 ALA 33 2HB ALA 33 6.951 -4.288 4.485 222 HB3 ALA 33 3HB ALA 33 6.047 -5.540 5.366 223 H CYS 34 H CYS 34 3.654 -3.830 2.386 224 HA CYS 34 HA CYS 34 5.163 -1.623 1.190 225 HB2 CYS 34 1HB CYS 34 4.198 -3.632 -0.031 226 HB3 CYS 34 2HB CYS 34 2.600 -2.926 0.192 227 H CYS 35 H CYS 35 1.824 -2.248 2.331 228 HA CYS 35 HA CYS 35 0.695 0.267 1.864 229 HB2 CYS 35 1HB CYS 35 0.149 -1.817 4.015 230 HB3 CYS 35 2HB CYS 35 -0.856 -0.402 3.771 231 H ASP 36 H ASP 36 2.316 -0.911 4.861 232 HA ASP 36 HA ASP 36 1.761 1.418 6.340 233 HB2 ASP 36 1HB ASP 36 2.338 -0.945 7.102 234 HB3 ASP 36 2HB ASP 36 4.032 -0.524 6.846 235 H SER 37 H SER 37 4.300 0.990 4.008 236 HA SER 37 HA SER 37 5.921 3.233 4.983 237 HB2 SER 37 1HB SER 37 5.749 1.683 2.363 238 HB3 SER 37 2HB SER 37 6.820 3.078 2.583 239 HG SER 37 HG SER 37 7.771 2.060 4.317 240 H CYS 38 H CYS 38 2.915 2.985 3.219 241 HA CYS 38 HA CYS 38 3.305 5.682 1.990 242 HB2 CYS 38 1HB CYS 38 1.904 3.201 0.957 243 HB3 CYS 38 2HB CYS 38 1.914 4.764 0.185 244 H PHE 39 H PHE 39 1.289 3.818 4.100 245 HA PHE 39 HA PHE 39 -0.775 5.926 4.012 246 HB2 PHE 39 1HB PHE 39 -1.183 2.909 3.787 247 HB3 PHE 39 2HB PHE 39 -2.438 4.075 4.075 248 HD1 PHE 39 2HD PHE 39 -2.484 6.109 2.211 249 HD2 PHE 39 1HD PHE 39 -0.961 2.120 1.588 250 HE1 PHE 39 2HE PHE 39 -2.910 6.310 -0.206 251 HE2 PHE 39 1HE PHE 39 -1.451 2.307 -0.826 252 HZ PHE 39 HZ PHE 39 -2.460 4.409 -1.710 253 H GLU 40 H GLU 40 -1.581 6.306 5.970 254 HA GLU 40 HA GLU 40 -0.808 4.569 8.259 255 HB2 GLU 40 1HB GLU 40 -1.458 7.524 8.165 256 HB3 GLU 40 2HB GLU 40 -0.970 6.668 9.610 257 HG2 GLU 40 1HG GLU 40 0.878 6.855 7.237 258 HG3 GLU 40 2HG GLU 40 0.770 8.087 8.484 259 H LEU 41 H LEU 41 -2.280 4.759 10.061 260 HA LEU 41 HA LEU 41 -4.363 4.371 10.985 261 HB2 LEU 41 1HB LEU 41 -4.662 7.080 9.660 262 HB3 LEU 41 2HB LEU 41 -5.620 6.504 11.025 263 HG LEU 41 HG LEU 41 -2.601 6.966 11.049 264 HD11 LEU 41 1HD1 LEU 41 -3.838 9.019 10.812 265 HD12 LEU 41 2HD1 LEU 41 -4.853 8.623 12.219 266 HD13 LEU 41 3HD1 LEU 41 -3.109 8.916 12.423 267 HD21 LEU 41 3HD2 LEU 41 -4.480 6.173 13.304 268 HD22 LEU 41 1HD2 LEU 41 -3.123 5.234 12.644 269 HD23 LEU 41 2HD2 LEU 41 -2.805 6.734 13.512 270 H THR 42 H THR 42 -6.492 6.142 9.019 271 HA THR 42 HA THR 42 -7.959 3.749 8.365 272 HB THR 42 HB THR 42 -8.293 6.537 7.189 273 HG1 THR 42 1HG THR 42 -8.416 6.850 9.252 274 HG21 THR 42 3HG2 THR 42 -9.610 4.876 5.994 275 HG22 THR 42 1HG2 THR 42 -10.179 4.161 7.483 276 HG23 THR 42 2HG2 THR 42 -10.699 5.812 7.019 277 H GLY 43 H GLY 43 -5.821 5.932 6.493 278 HA2 GLY 43 1HA GLY 43 -5.822 4.990 3.890 279 HA3 GLY 43 2HA GLY 43 -4.408 5.456 4.812 280 H ASN 44 H ASN 44 -4.003 3.816 6.654 281 HA ASN 44 HA ASN 44 -2.581 1.762 5.405 282 HB2 ASN 44 1HB ASN 44 -2.037 2.787 7.605 283 HB3 ASN 44 2HB ASN 44 -3.354 1.882 8.337 284 HD21 ASN 44 1HD2 ASN 44 -0.267 1.748 6.747 285 HD22 ASN 44 2HD2 ASN 44 0.180 0.174 7.377 286 H THR 45 H THR 45 -5.457 1.562 7.587 287 HA THR 45 HA THR 45 -5.838 -1.144 7.278 288 HB THR 45 HB THR 45 -8.045 0.883 7.782 289 HG1 THR 45 1HG THR 45 -5.893 -0.046 9.355 290 HG21 THR 45 3HG2 THR 45 -8.856 -1.438 7.636 291 HG22 THR 45 1HG2 THR 45 -7.616 -1.957 8.793 292 HG23 THR 45 2HG2 THR 45 -8.924 -0.870 9.311 293 H MET 46 H MET 46 -7.245 1.469 5.196 294 HA MET 46 HA MET 46 -8.862 -0.389 3.686 295 HB2 MET 46 1HB MET 46 -7.853 2.413 2.973 296 HB3 MET 46 2HB MET 46 -8.712 1.364 1.842 297 HG2 MET 46 1HG MET 46 -10.488 1.113 3.666 298 HG3 MET 46 2HG MET 46 -9.744 2.535 4.413 299 HE1 MET 46 3HE MET 46 -13.218 2.708 1.935 300 HE2 MET 46 1HE MET 46 -12.284 1.193 1.862 301 HE3 MET 46 2HE MET 46 -12.675 1.907 3.430 302 H CYS 47 H CYS 47 -5.434 0.651 3.367 303 HA CYS 47 HA CYS 47 -4.977 -0.655 0.849 304 HB2 CYS 47 1HB CYS 47 -3.564 1.124 1.835 305 HB3 CYS 47 2HB CYS 47 -3.031 0.008 3.082 306 H LEU 48 H LEU 48 -4.475 -1.719 4.253 307 HA LEU 48 HA LEU 48 -3.583 -4.323 3.720 308 HB2 LEU 48 1HB LEU 48 -5.336 -3.314 6.013 309 HB3 LEU 48 2HB LEU 48 -4.501 -4.845 5.946 310 HG LEU 48 HG LEU 48 -3.298 -2.077 6.198 311 HD11 LEU 48 1HD1 LEU 48 -4.024 -3.189 8.270 312 HD12 LEU 48 2HD1 LEU 48 -2.955 -4.568 7.890 313 HD13 LEU 48 3HD1 LEU 48 -2.269 -2.964 8.211 314 HD21 LEU 48 3HD2 LEU 48 -1.888 -3.218 4.563 315 HD22 LEU 48 1HD2 LEU 48 -1.069 -3.037 6.106 316 HD23 LEU 48 2HD2 LEU 48 -1.774 -4.622 5.650 317 H LEU 49 H LEU 49 -6.935 -3.183 4.210 318 HA LEU 49 HA LEU 49 -8.175 -5.650 3.706 319 HB2 LEU 49 1HB LEU 49 -9.074 -2.848 3.857 320 HB3 LEU 49 2HB LEU 49 -9.937 -3.722 2.607 321 HG LEU 49 HG LEU 49 -10.380 -5.578 4.290 322 HD11 LEU 49 1HD1 LEU 49 -9.450 -3.447 6.274 323 HD12 LEU 49 2HD1 LEU 49 -10.223 -5.003 6.675 324 HD13 LEU 49 3HD1 LEU 49 -8.621 -4.975 5.939 325 HD21 LEU 49 3HD2 LEU 49 -12.236 -4.353 5.367 326 HD22 LEU 49 1HD2 LEU 49 -11.507 -2.809 4.853 327 HD23 LEU 49 2HD2 LEU 49 -12.102 -3.969 3.644 328 H GLN 50 H GLN 50 -7.374 -3.130 1.165 329 HA GLN 50 HA GLN 50 -8.597 -4.753 -0.861 330 HB2 GLN 50 1HB GLN 50 -8.276 -2.288 -0.966 331 HB3 GLN 50 2HB GLN 50 -6.536 -2.510 -1.064 332 HG2 GLN 50 1HG GLN 50 -7.390 -2.084 -3.290 333 HG3 GLN 50 2HG GLN 50 -6.832 -3.735 -3.239 334 HE21 GLN 50 1HE2 GLN 50 -8.384 -5.478 -3.237 335 HE22 GLN 50 2HE2 GLN 50 -9.979 -5.214 -3.891 336 H ALA 51 H ALA 51 -5.262 -4.441 0.293 337 HA ALA 51 HA ALA 51 -4.068 -6.118 -1.732 338 HB1 ALA 51 1HB ALA 51 -2.169 -6.231 -0.188 339 HB2 ALA 51 2HB ALA 51 -2.775 -4.567 -0.209 340 HB3 ALA 51 3HB ALA 51 -3.161 -5.613 1.148 341 H GLY 52 H GLY 52 -4.914 -6.766 1.672 342 HA2 GLY 52 1HA GLY 52 -4.369 -9.581 1.418 343 HA3 GLY 52 2HA GLY 52 -4.779 -8.650 2.874 344 H ALA 53 H ALA 53 -7.183 -7.860 0.894 345 HA ALA 53 HA ALA 53 -9.379 -8.746 0.569 346 HB1 ALA 53 1HB ALA 53 -7.977 -8.205 -1.334 347 HB2 ALA 53 2HB ALA 53 -7.221 -9.823 -1.302 348 HB3 ALA 53 3HB ALA 53 -8.948 -9.653 -1.700 349 H ALA 54 H ALA 54 -7.178 -11.438 -0.079 350 HA ALA 54 HA ALA 54 -8.337 -13.175 1.841 351 HB1 ALA 54 1HB ALA 54 -9.645 -13.860 -0.169 352 HB2 ALA 54 2HB ALA 54 -8.139 -13.933 -1.123 353 HB3 ALA 54 3HB ALA 54 -8.399 -15.090 0.205 354 H GLY 55 H GLY 55 -6.660 -14.966 2.063 355 HA2 GLY 55 1HA GLY 55 -3.939 -13.979 1.836 356 HA3 GLY 55 2HA GLY 55 -4.453 -15.544 2.444 357 H SER 56 H SER 56 -4.820 -13.897 -0.708 358 HA SER 56 HA SER 56 -2.814 -15.418 -2.039 359 HB2 SER 56 1HB SER 56 -5.735 -15.848 -2.794 360 HB3 SER 56 2HB SER 56 -4.406 -15.969 -3.966 361 HG SER 56 HG SER 56 -5.230 -17.830 -2.330 362 H GLY 57 H GLY 57 -1.888 -13.475 -2.355 363 HA2 GLY 57 1HA GLY 57 -1.855 -11.707 -4.203 364 HA3 GLY 57 2HA GLY 57 -3.397 -11.179 -3.531 365 H CYS 58 H CYS 58 0.045 -11.595 -2.896 366 HA CYS 58 HA CYS 58 1.519 -10.865 -1.426 367 HB2 CYS 58 1HB CYS 58 -0.474 -8.649 -1.589 368 HB3 CYS 58 2HB CYS 58 0.985 -8.477 -0.605 369 H ASP 59 H ASP 59 1.903 -9.806 0.872 370 HA ASP 59 HA ASP 59 0.659 -11.878 2.542 371 HB2 ASP 59 1HB ASP 59 3.103 -11.640 2.549 372 HB3 ASP 59 2HB ASP 59 2.939 -9.995 3.187 373 H MET 60 H MET 60 -0.432 -11.510 4.507 374 HA MET 60 HA MET 60 -1.060 -8.773 5.278 375 HB2 MET 60 1HB MET 60 -3.471 -9.124 5.302 376 HB3 MET 60 2HB MET 60 -2.773 -9.189 3.697 377 HG2 MET 60 1HG MET 60 -4.178 -10.911 3.474 378 HG3 MET 60 2HG MET 60 -2.806 -11.820 4.091 379 HE1 MET 60 3HE MET 60 -6.097 -12.464 3.960 380 HE2 MET 60 1HE MET 60 -4.783 -13.621 4.276 381 HE3 MET 60 2HE MET 60 -6.159 -13.497 5.404 382 H GLU 61 H GLU 61 -0.769 -8.620 7.381 383 HA GLU 61 HA GLU 61 -0.649 -11.047 9.068 384 HB2 GLU 61 1HB GLU 61 0.075 -8.129 9.476 385 HB3 GLU 61 2HB GLU 61 -0.251 -9.185 10.866 386 HG2 GLU 61 1HG GLU 61 1.458 -10.822 9.881 387 HG3 GLU 61 2HG GLU 61 1.936 -9.516 8.788 Start of MODEL 8 1 H1 TYR 1 H TYR 1 -14.228 6.180 1.773 2 HA TYR 1 HA TYR 1 -12.698 8.534 2.696 3 HB2 TYR 1 1HB TYR 1 -13.327 7.218 4.624 4 HB3 TYR 1 2HB TYR 1 -12.703 5.752 3.877 5 HD1 TYR 1 1HD TYR 1 -11.783 9.073 5.327 6 HD2 TYR 1 2HD TYR 1 -10.305 5.311 3.798 7 HE1 TYR 1 1HE TYR 1 -9.526 9.622 6.169 8 HE2 TYR 1 2HE TYR 1 -8.069 5.868 4.602 9 HH TYR 1 HH TYR 1 -7.204 9.058 5.830 10 H ASN 2 H ASN 2 -11.296 8.918 0.949 11 HA ASN 2 HA ASN 2 -10.151 6.543 -0.364 12 HB2 ASN 2 1HB ASN 2 -10.307 9.336 -1.169 13 HB3 ASN 2 2HB ASN 2 -8.657 8.770 -1.235 14 HD21 ASN 2 1HD2 ASN 2 -8.095 7.911 -3.346 15 HD22 ASN 2 2HD2 ASN 2 -9.168 6.797 -4.124 16 HA PRO 3 HA PRO 3 -6.964 6.487 2.715 17 HB2 PRO 3 1HB PRO 3 -5.154 4.770 1.480 18 HB3 PRO 3 2HB PRO 3 -6.654 4.251 2.285 19 HG2 PRO 3 1HG PRO 3 -6.176 4.561 -0.647 20 HG3 PRO 3 2HG PRO 3 -7.204 3.392 0.280 21 HD2 PRO 3 1HD PRO 3 -8.221 5.546 -1.035 22 HD3 PRO 3 2HD PRO 3 -8.967 4.722 0.377 23 H GLU 4 H GLU 4 -6.438 7.655 -0.515 24 HA GLU 4 HA GLU 4 -3.791 8.678 -0.280 25 HB2 GLU 4 1HB GLU 4 -6.243 9.468 -1.874 26 HB3 GLU 4 2HB GLU 4 -4.698 10.300 -2.063 27 HG2 GLU 4 1HG GLU 4 -3.578 8.317 -2.801 28 HG3 GLU 4 2HG GLU 4 -4.917 7.277 -2.325 29 H ASP 5 H ASP 5 -6.724 9.621 1.342 30 HA ASP 5 HA ASP 5 -6.142 12.182 2.328 31 HB2 ASP 5 1HB ASP 5 -8.163 10.957 2.781 32 HB3 ASP 5 2HB ASP 5 -7.255 9.641 3.536 33 H ASP 6 H ASP 6 -4.700 9.044 3.330 34 HA ASP 6 HA ASP 6 -2.617 10.441 4.974 35 HB2 ASP 6 1HB ASP 6 -4.393 8.126 5.650 36 HB3 ASP 6 2HB ASP 6 -2.750 8.107 6.238 37 H TYR 7 H TYR 7 -2.582 9.807 2.182 38 HA TYR 7 HA TYR 7 -0.506 7.769 1.826 39 HB2 TYR 7 1HB TYR 7 -1.630 8.411 -0.159 40 HB3 TYR 7 2HB TYR 7 -1.515 10.130 0.214 41 HD1 TYR 7 2HD TYR 7 0.651 7.156 -0.540 42 HD2 TYR 7 1HD TYR 7 0.190 11.427 -0.763 43 HE1 TYR 7 2HE TYR 7 2.635 7.302 -2.039 44 HE2 TYR 7 1HE TYR 7 2.233 11.594 -2.137 45 HH TYR 7 HH TYR 7 4.005 8.665 -3.271 46 H THR 8 H THR 8 1.633 8.004 2.474 47 HA THR 8 HA THR 8 2.542 10.751 3.158 48 HB THR 8 HB THR 8 3.789 9.870 4.997 49 HG1 THR 8 1HG THR 8 3.128 7.800 5.825 50 HG21 THR 8 3HG2 THR 8 1.895 9.697 6.468 51 HG22 THR 8 1HG2 THR 8 1.368 10.694 5.128 52 HG23 THR 8 2HG2 THR 8 0.881 8.995 5.199 53 HA PRO 9 HA PRO 9 5.072 9.500 -0.348 54 HB2 PRO 9 1HB PRO 9 6.208 11.924 -0.930 55 HB3 PRO 9 2HB PRO 9 4.536 11.491 -1.398 56 HG2 PRO 9 1HG PRO 9 5.471 13.091 0.995 57 HG3 PRO 9 2HG PRO 9 4.129 13.461 -0.126 58 HD2 PRO 9 1HD PRO 9 3.683 12.302 2.279 59 HD3 PRO 9 2HD PRO 9 2.738 11.799 0.846 60 H LEU 10 H LEU 10 6.219 10.795 2.662 61 HA LEU 10 HA LEU 10 8.899 11.290 2.341 62 HB2 LEU 10 1HB LEU 10 6.955 10.372 4.449 63 HB3 LEU 10 2HB LEU 10 8.623 10.265 4.875 64 HG LEU 10 HG LEU 10 7.234 12.353 5.456 65 HD11 LEU 10 1HD1 LEU 10 9.633 12.414 5.706 66 HD12 LEU 10 2HD1 LEU 10 9.863 12.791 3.984 67 HD13 LEU 10 3HD1 LEU 10 9.090 13.970 5.071 68 HD21 LEU 10 3HD2 LEU 10 7.069 14.172 3.854 69 HD22 LEU 10 1HD2 LEU 10 7.630 13.129 2.549 70 HD23 LEU 10 2HD2 LEU 10 6.090 12.782 3.375 71 H THR 11 H THR 11 7.448 8.236 3.548 72 HA THR 11 HA THR 11 9.862 6.778 2.653 73 HB THR 11 HB THR 11 8.954 7.135 5.113 74 HG1 THR 11 1HG THR 11 10.309 5.471 5.604 75 HG21 THR 11 3HG2 THR 11 8.037 4.443 4.224 76 HG22 THR 11 1HG2 THR 11 7.928 5.141 5.876 77 HG23 THR 11 2HG2 THR 11 6.970 5.832 4.538 78 H CYS 12 H CYS 12 6.933 7.463 1.320 79 HA CYS 12 HA CYS 12 6.501 4.728 0.328 80 HB2 CYS 12 1HB CYS 12 4.612 6.285 0.867 81 HB3 CYS 12 2HB CYS 12 5.100 7.279 -0.484 82 HA PRO 13 HA PRO 13 9.416 6.069 -2.929 83 HB2 PRO 13 1HB PRO 13 9.764 3.600 -4.153 84 HB3 PRO 13 2HB PRO 13 10.683 4.209 -2.759 85 HG2 PRO 13 1HG PRO 13 8.429 2.263 -2.832 86 HG3 PRO 13 2HG PRO 13 9.840 2.350 -1.728 87 HD2 PRO 13 1HD PRO 13 7.272 3.188 -1.055 88 HD3 PRO 13 2HD PRO 13 8.786 3.759 -0.310 89 H HIS 14 H HIS 14 6.199 5.599 -3.185 90 HA HIS 14 HA HIS 14 6.143 5.377 -6.156 91 HB2 HIS 14 1HB HIS 14 3.924 4.394 -4.358 92 HB3 HIS 14 2HB HIS 14 4.205 3.998 -6.056 93 HD1 HIS 14 1HD HIS 14 6.623 2.562 -6.467 94 HD2 HIS 14 2HD HIS 14 4.698 2.469 -2.708 95 HE1 HIS 14 1HE HIS 14 7.096 0.318 -5.406 96 HE2 HIS 14 2HE HIS 14 6.069 0.309 -3.117 97 H THR 15 H THR 15 4.727 6.763 -7.175 98 HA THR 15 HA THR 15 4.278 9.223 -5.704 99 HB THR 15 HB THR 15 3.643 9.990 -8.001 100 HG1 THR 15 1HG THR 15 4.188 8.430 -9.700 101 HG21 THR 15 3HG2 THR 15 6.034 9.792 -7.081 102 HG22 THR 15 1HG2 THR 15 6.216 8.335 -8.066 103 HG23 THR 15 2HG2 THR 15 5.897 9.909 -8.841 104 H ILE 16 H ILE 16 2.186 10.309 -5.547 105 HA ILE 16 HA ILE 16 0.062 8.628 -4.817 106 HB ILE 16 HB ILE 16 0.523 10.975 -4.116 107 HG12 ILE 16 1HG1 ILE 16 -2.354 10.351 -4.892 108 HG13 ILE 16 2HG1 ILE 16 -1.500 9.722 -3.481 109 HG21 ILE 16 1HG2 ILE 16 -0.249 12.867 -5.301 110 HG22 ILE 16 2HG2 ILE 16 0.688 11.936 -6.469 111 HG23 ILE 16 3HG2 ILE 16 -1.098 11.880 -6.498 112 HD11 ILE 16 3HD1 ILE 16 -2.215 12.636 -4.007 113 HD12 ILE 16 1HD1 ILE 16 -2.878 11.565 -2.767 114 HD13 ILE 16 2HD1 ILE 16 -1.190 12.082 -2.663 115 H SER 17 H SER 17 1.135 9.305 -7.917 116 HA SER 17 HA SER 17 -1.256 9.228 -9.518 117 HB2 SER 17 1HB SER 17 1.190 9.818 -10.184 118 HB3 SER 17 2HB SER 17 1.480 8.079 -10.213 119 HG SER 17 HG SER 17 0.838 8.294 -12.188 120 H VAL 18 H VAL 18 0.942 6.751 -8.157 121 HA VAL 18 HA VAL 18 -1.036 4.583 -8.558 122 HB VAL 18 HB VAL 18 0.596 3.238 -9.798 123 HG11 VAL 18 1HG1 VAL 18 0.483 4.227 -11.989 124 HG12 VAL 18 2HG1 VAL 18 -1.015 4.615 -11.136 125 HG13 VAL 18 3HG1 VAL 18 0.247 5.845 -11.327 126 HG21 VAL 18 3HG2 VAL 18 2.574 4.968 -10.772 127 HG22 VAL 18 1HG2 VAL 18 2.365 5.440 -9.031 128 HG23 VAL 18 2HG2 VAL 18 2.713 3.787 -9.423 129 H VAL 19 H VAL 19 -0.661 5.395 -6.292 130 HA VAL 19 HA VAL 19 1.385 3.628 -5.084 131 HB VAL 19 HB VAL 19 1.530 5.801 -4.234 132 HG11 VAL 19 1HG1 VAL 19 -0.217 7.031 -3.070 133 HG12 VAL 19 2HG1 VAL 19 -0.773 6.648 -4.697 134 HG13 VAL 19 3HG1 VAL 19 -1.369 5.723 -3.310 135 HG21 VAL 19 3HG2 VAL 19 0.191 4.058 -2.123 136 HG22 VAL 19 1HG2 VAL 19 1.878 3.932 -2.652 137 HG23 VAL 19 2HG2 VAL 19 1.304 5.393 -1.830 138 H TRP 20 H TRP 20 -2.184 4.221 -4.859 139 HA TRP 20 HA TRP 20 -2.762 2.067 -3.179 140 HB2 TRP 20 1HB TRP 20 -4.399 3.735 -3.779 141 HB3 TRP 20 2HB TRP 20 -4.403 3.219 -5.459 142 HD1 TRP 20 HD TRP 20 -5.955 1.171 -6.076 143 HE1 TRP 20 1HE TRP 20 -7.622 -0.255 -4.822 144 HE3 TRP 20 3HE TRP 20 -4.651 2.504 -1.300 145 HZ2 TRP 20 2HZ TRP 20 -8.499 -0.564 -2.008 146 HZ3 TRP 20 3HZ TRP 20 -5.863 1.584 0.607 147 HH2 TRP 20 HH TRP 20 -7.881 0.142 0.264 148 H TYR 21 H TYR 21 -3.129 1.867 -6.796 149 HA TYR 21 HA TYR 21 -3.418 -0.852 -7.072 150 HB2 TYR 21 1HB TYR 21 -3.521 0.631 -8.957 151 HB3 TYR 21 2HB TYR 21 -1.857 1.164 -8.737 152 HD1 TYR 21 1HD TYR 21 0.070 -0.320 -9.368 153 HD2 TYR 21 2HD TYR 21 -4.018 -1.542 -10.046 154 HE1 TYR 21 1HE TYR 21 0.849 -2.177 -10.814 155 HE2 TYR 21 2HE TYR 21 -3.265 -3.191 -11.649 156 HH TYR 21 HH TYR 21 -1.401 -4.575 -12.021 157 H GLU 22 H GLU 22 -0.292 0.885 -6.727 158 HA GLU 22 HA GLU 22 1.401 -1.272 -7.460 159 HB2 GLU 22 1HB GLU 22 2.693 0.655 -7.544 160 HB3 GLU 22 2HB GLU 22 1.398 1.496 -6.785 161 HG2 GLU 22 1HG GLU 22 3.239 1.918 -5.528 162 HG3 GLU 22 2HG GLU 22 2.323 0.812 -4.519 163 H CYS 23 H CYS 23 -0.205 -0.333 -4.417 164 HA CYS 23 HA CYS 23 1.477 -2.147 -2.829 165 HB2 CYS 23 1HB CYS 23 0.747 0.495 -2.535 166 HB3 CYS 23 2HB CYS 23 -0.533 -0.281 -1.648 167 H THR 24 H THR 24 -1.439 -2.258 -4.519 168 HA THR 24 HA THR 24 -2.594 -4.078 -2.507 169 HB THR 24 HB THR 24 -4.819 -3.257 -3.037 170 HG1 THR 24 1HG THR 24 -3.471 -1.210 -4.436 171 HG21 THR 24 3HG2 THR 24 -4.695 -1.102 -1.866 172 HG22 THR 24 1HG2 THR 24 -3.620 -2.290 -1.107 173 HG23 THR 24 2HG2 THR 24 -2.944 -1.015 -2.130 174 H GLU 25 H GLU 25 -1.538 -3.855 -5.723 175 HA GLU 25 HA GLU 25 -3.112 -6.251 -6.514 176 HB2 GLU 25 1HB GLU 25 -3.768 -4.043 -7.641 177 HB3 GLU 25 2HB GLU 25 -2.184 -3.972 -8.346 178 HG2 GLU 25 1HG GLU 25 -3.804 -6.507 -8.677 179 HG3 GLU 25 2HG GLU 25 -4.321 -5.059 -9.538 180 H ASN 26 H ASN 26 -0.235 -4.269 -7.148 181 HA ASN 26 HA ASN 26 1.146 -6.256 -8.646 182 HB2 ASN 26 1HB ASN 26 1.507 -3.877 -8.970 183 HB3 ASN 26 2HB ASN 26 2.123 -3.719 -7.313 184 HD21 ASN 26 1HD2 ASN 26 4.026 -2.771 -8.374 185 HD22 ASN 26 2HD2 ASN 26 5.196 -3.786 -9.185 186 H THR 27 H THR 27 1.252 -8.168 -7.378 187 HA THR 27 HA THR 27 1.822 -8.404 -4.717 188 HB THR 27 HB THR 27 2.448 -10.808 -5.353 189 HG1 THR 27 1HG THR 27 3.109 -10.881 -7.335 190 HG21 THR 27 3HG2 THR 27 -0.126 -9.716 -6.578 191 HG22 THR 27 1HG2 THR 27 0.204 -11.395 -6.105 192 HG23 THR 27 2HG2 THR 27 0.113 -10.140 -4.868 193 H ALA 28 H ALA 28 4.207 -7.711 -7.167 194 HA ALA 28 HA ALA 28 6.581 -8.636 -5.911 195 HB1 ALA 28 1HB ALA 28 7.680 -6.922 -7.257 196 HB2 ALA 28 2HB ALA 28 6.417 -7.713 -8.220 197 HB3 ALA 28 3HB ALA 28 6.137 -6.092 -7.540 198 H ASN 29 H ASN 29 4.411 -6.037 -5.028 199 HA ASN 29 HA ASN 29 6.325 -5.100 -2.929 200 HB2 ASN 29 1HB ASN 29 4.368 -3.335 -4.444 201 HB3 ASN 29 2HB ASN 29 5.529 -2.835 -3.218 202 HD21 ASN 29 1HD2 ASN 29 5.252 -1.834 -5.940 203 HD22 ASN 29 2HD2 ASN 29 6.646 -2.267 -6.900 204 H CYS 30 H CYS 30 2.922 -5.278 -4.045 205 HA CYS 30 HA CYS 30 1.598 -4.376 -1.831 206 HB2 CYS 30 1HB CYS 30 0.311 -4.690 -3.674 207 HB3 CYS 30 2HB CYS 30 0.899 -6.280 -4.056 208 H GLY 31 H GLY 31 1.036 -5.015 0.123 209 HA2 GLY 31 1HA GLY 31 0.863 -7.384 1.441 210 HA3 GLY 31 2HA GLY 31 2.614 -7.072 1.332 211 H THR 32 H THR 32 1.631 -7.069 3.797 212 HA THR 32 HA THR 32 0.286 -4.742 4.673 213 HB THR 32 HB THR 32 1.937 -6.839 6.078 214 HG1 THR 32 1HG THR 32 -0.154 -7.659 6.575 215 HG21 THR 32 3HG2 THR 32 0.733 -6.208 8.175 216 HG22 THR 32 1HG2 THR 32 1.840 -4.932 7.622 217 HG23 THR 32 2HG2 THR 32 0.094 -4.770 7.373 218 H ALA 33 H ALA 33 3.850 -5.515 4.842 219 HA ALA 33 HA ALA 33 4.607 -3.090 6.027 220 HB1 ALA 33 1HB ALA 33 6.838 -3.534 5.035 221 HB2 ALA 33 2HB ALA 33 6.146 -4.995 5.761 222 HB3 ALA 33 3HB ALA 33 6.108 -4.782 4.001 223 H CYS 34 H CYS 34 4.171 -3.812 2.520 224 HA CYS 34 HA CYS 34 5.091 -1.351 1.530 225 HB2 CYS 34 1HB CYS 34 4.533 -3.125 0.022 226 HB3 CYS 34 2HB CYS 34 2.834 -3.120 0.493 227 H CYS 35 H CYS 35 1.809 -2.300 2.575 228 HA CYS 35 HA CYS 35 0.544 0.194 2.122 229 HB2 CYS 35 1HB CYS 35 -0.034 -2.081 4.048 230 HB3 CYS 35 2HB CYS 35 -1.067 -0.667 3.914 231 H ASP 36 H ASP 36 2.120 -1.090 5.124 232 HA ASP 36 HA ASP 36 1.524 1.225 6.723 233 HB2 ASP 36 1HB ASP 36 2.216 -1.239 7.315 234 HB3 ASP 36 2HB ASP 36 3.848 -0.603 7.262 235 H SER 37 H SER 37 4.141 0.552 4.510 236 HA SER 37 HA SER 37 5.645 2.950 5.247 237 HB2 SER 37 1HB SER 37 5.991 0.987 2.947 238 HB3 SER 37 2HB SER 37 7.157 2.210 3.477 239 HG SER 37 HG SER 37 6.254 -0.114 4.842 240 H CYS 38 H CYS 38 2.752 2.697 3.495 241 HA CYS 38 HA CYS 38 3.474 5.113 1.928 242 HB2 CYS 38 1HB CYS 38 2.174 2.550 1.016 243 HB3 CYS 38 2HB CYS 38 1.764 4.066 0.244 244 H PHE 39 H PHE 39 1.117 3.524 3.950 245 HA PHE 39 HA PHE 39 -0.608 5.884 3.778 246 HB2 PHE 39 1HB PHE 39 -1.505 2.962 3.606 247 HB3 PHE 39 2HB PHE 39 -2.564 4.330 3.867 248 HD1 PHE 39 1HD PHE 39 -2.743 6.132 2.064 249 HD2 PHE 39 2HD PHE 39 -0.976 2.250 1.414 250 HE1 PHE 39 1HE PHE 39 -3.179 6.312 -0.395 251 HE2 PHE 39 2HE PHE 39 -1.426 2.396 -0.976 252 HZ PHE 39 HZ PHE 39 -2.553 4.424 -1.895 253 H GLU 40 H GLU 40 -1.513 6.320 5.749 254 HA GLU 40 HA GLU 40 -0.726 4.530 7.994 255 HB2 GLU 40 1HB GLU 40 -0.944 7.540 8.095 256 HB3 GLU 40 2HB GLU 40 -0.197 6.447 9.263 257 HG2 GLU 40 1HG GLU 40 1.398 5.749 7.309 258 HG3 GLU 40 2HG GLU 40 0.791 7.204 6.507 259 H LEU 41 H LEU 41 -2.000 4.809 9.913 260 HA LEU 41 HA LEU 41 -4.002 4.617 11.025 261 HB2 LEU 41 1HB LEU 41 -4.537 7.202 9.525 262 HB3 LEU 41 2HB LEU 41 -5.306 6.709 11.039 263 HG LEU 41 HG LEU 41 -2.318 7.291 10.657 264 HD11 LEU 41 1HD1 LEU 41 -4.509 9.003 11.874 265 HD12 LEU 41 2HD1 LEU 41 -2.758 9.343 11.929 266 HD13 LEU 41 3HD1 LEU 41 -3.588 9.295 10.377 267 HD21 LEU 41 3HD2 LEU 41 -2.639 5.699 12.458 268 HD22 LEU 41 1HD2 LEU 41 -2.236 7.273 13.130 269 HD23 LEU 41 2HD2 LEU 41 -3.933 6.695 13.167 270 H THR 42 H THR 42 -6.498 6.044 9.397 271 HA THR 42 HA THR 42 -7.611 3.486 8.727 272 HB THR 42 HB THR 42 -8.554 6.303 8.052 273 HG1 THR 42 1HG THR 42 -8.700 4.614 10.297 274 HG21 THR 42 3HG2 THR 42 -10.143 3.716 8.254 275 HG22 THR 42 1HG2 THR 42 -10.807 5.351 8.011 276 HG23 THR 42 2HG2 THR 42 -9.817 4.615 6.757 277 H GLY 43 H GLY 43 -5.616 5.728 6.917 278 HA2 GLY 43 1HA GLY 43 -6.269 4.959 4.236 279 HA3 GLY 43 2HA GLY 43 -4.756 5.662 4.828 280 H ASN 44 H ASN 44 -3.982 3.853 6.724 281 HA ASN 44 HA ASN 44 -2.720 1.821 5.216 282 HB2 ASN 44 1HB ASN 44 -1.903 2.693 7.454 283 HB3 ASN 44 2HB ASN 44 -3.207 1.798 8.218 284 HD21 ASN 44 1HD2 ASN 44 -0.483 1.441 5.987 285 HD22 ASN 44 2HD2 ASN 44 -0.148 -0.244 6.382 286 H THR 45 H THR 45 -5.411 1.645 7.598 287 HA THR 45 HA THR 45 -5.917 -1.039 7.486 288 HB THR 45 HB THR 45 -8.186 0.961 7.546 289 HG1 THR 45 1HG THR 45 -6.115 0.696 9.475 290 HG21 THR 45 3HG2 THR 45 -8.978 -0.447 9.429 291 HG22 THR 45 1HG2 THR 45 -8.761 -1.406 7.952 292 HG23 THR 45 2HG2 THR 45 -7.552 -1.489 9.253 293 H MET 46 H MET 46 -7.162 1.448 5.231 294 HA MET 46 HA MET 46 -8.888 -0.324 3.762 295 HB2 MET 46 1HB MET 46 -7.577 2.323 2.998 296 HB3 MET 46 2HB MET 46 -8.734 1.467 1.985 297 HG2 MET 46 1HG MET 46 -9.569 1.830 4.801 298 HG3 MET 46 2HG MET 46 -9.303 3.327 3.977 299 HE1 MET 46 3HE MET 46 -10.392 3.620 1.455 300 HE2 MET 46 1HE MET 46 -10.579 1.966 0.837 301 HE3 MET 46 2HE MET 46 -12.004 3.006 1.029 302 H CYS 47 H CYS 47 -5.465 0.665 3.320 303 HA CYS 47 HA CYS 47 -5.019 -0.661 0.834 304 HB2 CYS 47 1HB CYS 47 -3.607 1.114 1.815 305 HB3 CYS 47 2HB CYS 47 -3.083 0.011 3.080 306 H LEU 48 H LEU 48 -4.437 -1.755 4.229 307 HA LEU 48 HA LEU 48 -3.538 -4.346 3.683 308 HB2 LEU 48 1HB LEU 48 -5.351 -3.386 5.950 309 HB3 LEU 48 2HB LEU 48 -4.460 -4.892 5.901 310 HG LEU 48 HG LEU 48 -3.277 -2.112 6.106 311 HD11 LEU 48 1HD1 LEU 48 -4.310 -2.977 8.155 312 HD12 LEU 48 2HD1 LEU 48 -3.362 -4.487 8.017 313 HD13 LEU 48 3HD1 LEU 48 -2.553 -2.942 8.320 314 HD21 LEU 48 3HD2 LEU 48 -1.815 -4.767 6.000 315 HD22 LEU 48 1HD2 LEU 48 -1.785 -3.525 4.733 316 HD23 LEU 48 2HD2 LEU 48 -1.097 -3.165 6.317 317 H LEU 49 H LEU 49 -6.890 -3.225 4.188 318 HA LEU 49 HA LEU 49 -8.165 -5.699 3.835 319 HB2 LEU 49 1HB LEU 49 -8.942 -2.874 3.846 320 HB3 LEU 49 2HB LEU 49 -9.887 -3.750 2.657 321 HG LEU 49 HG LEU 49 -9.507 -4.796 5.484 322 HD11 LEU 49 1HD1 LEU 49 -10.469 -2.505 5.587 323 HD12 LEU 49 2HD1 LEU 49 -11.815 -3.052 4.541 324 HD13 LEU 49 3HD1 LEU 49 -11.577 -3.754 6.154 325 HD21 LEU 49 3HD2 LEU 49 -11.666 -5.300 3.372 326 HD22 LEU 49 1HD2 LEU 49 -10.370 -6.418 3.819 327 HD23 LEU 49 2HD2 LEU 49 -11.616 -6.015 5.001 328 H GLN 50 H GLN 50 -7.120 -3.398 1.285 329 HA GLN 50 HA GLN 50 -8.334 -4.991 -0.778 330 HB2 GLN 50 1HB GLN 50 -7.790 -2.465 -0.775 331 HB3 GLN 50 2HB GLN 50 -6.134 -2.928 -1.141 332 HG2 GLN 50 1HG GLN 50 -7.294 -2.436 -3.222 333 HG3 GLN 50 2HG GLN 50 -6.973 -4.167 -3.162 334 HE21 GLN 50 1HE2 GLN 50 -8.843 -4.311 -4.830 335 HE22 GLN 50 2HE2 GLN 50 -10.377 -4.628 -4.073 336 H ALA 51 H ALA 51 -4.908 -4.600 0.329 337 HA ALA 51 HA ALA 51 -3.747 -6.417 -1.530 338 HB1 ALA 51 1HB ALA 51 -2.913 -5.647 1.307 339 HB2 ALA 51 2HB ALA 51 -1.910 -6.576 0.177 340 HB3 ALA 51 3HB ALA 51 -2.355 -4.913 -0.224 341 H GLY 52 H GLY 52 -5.249 -6.995 1.666 342 HA2 GLY 52 1HA GLY 52 -4.797 -9.805 1.756 343 HA3 GLY 52 2HA GLY 52 -5.968 -8.869 2.691 344 H ALA 53 H ALA 53 -6.541 -8.427 -0.681 345 HA ALA 53 HA ALA 53 -8.504 -10.667 -0.774 346 HB1 ALA 53 1HB ALA 53 -9.582 -8.736 0.353 347 HB2 ALA 53 2HB ALA 53 -9.197 -7.728 -1.064 348 HB3 ALA 53 3HB ALA 53 -10.316 -9.104 -1.227 349 H ALA 54 H ALA 54 -7.037 -7.903 -2.581 350 HA ALA 54 HA ALA 54 -8.461 -8.516 -4.984 351 HB1 ALA 54 1HB ALA 54 -7.249 -6.562 -5.844 352 HB2 ALA 54 2HB ALA 54 -7.956 -6.251 -4.244 353 HB3 ALA 54 3HB ALA 54 -6.217 -6.552 -4.399 354 H GLY 55 H GLY 55 -7.509 -10.789 -4.794 355 HA2 GLY 55 1HA GLY 55 -6.221 -12.207 -6.355 356 HA3 GLY 55 2HA GLY 55 -4.871 -11.080 -6.195 357 H SER 56 H SER 56 -5.512 -10.758 -3.146 358 HA SER 56 HA SER 56 -4.581 -11.631 -1.296 359 HB2 SER 56 1HB SER 56 -6.306 -13.760 -2.520 360 HB3 SER 56 2HB SER 56 -5.282 -14.223 -1.159 361 HG SER 56 HG SER 56 -6.129 -12.526 0.010 362 H GLY 57 H GLY 57 -2.904 -12.121 -3.900 363 HA2 GLY 57 1HA GLY 57 -1.057 -14.267 -2.966 364 HA3 GLY 57 2HA GLY 57 -1.051 -13.477 -4.545 365 H CYS 58 H CYS 58 -1.424 -11.249 -1.979 366 HA CYS 58 HA CYS 58 1.235 -10.137 -2.399 367 HB2 CYS 58 1HB CYS 58 -1.229 -9.301 -0.814 368 HB3 CYS 58 2HB CYS 58 0.261 -8.389 -0.816 369 H ASP 59 H ASP 59 2.197 -9.194 -0.207 370 HA ASP 59 HA ASP 59 2.837 -11.592 1.439 371 HB2 ASP 59 1HB ASP 59 4.584 -10.373 0.116 372 HB3 ASP 59 2HB ASP 59 4.352 -8.970 1.153 373 H MET 60 H MET 60 0.777 -11.357 2.594 374 HA MET 60 HA MET 60 0.323 -8.897 4.156 375 HB2 MET 60 1HB MET 60 -1.268 -11.497 4.252 376 HB3 MET 60 2HB MET 60 -1.665 -9.968 5.003 377 HG2 MET 60 1HG MET 60 -3.055 -10.041 3.203 378 HG3 MET 60 2HG MET 60 -1.794 -8.932 2.703 379 HE1 MET 60 3HE MET 60 -0.752 -12.779 2.404 380 HE2 MET 60 1HE MET 60 -2.514 -12.880 2.567 381 HE3 MET 60 2HE MET 60 -1.726 -13.294 1.023 382 H GLU 61 H GLU 61 1.797 -8.707 5.883 383 HA GLU 61 HA GLU 61 1.795 -10.911 7.878 384 HB2 GLU 61 1HB GLU 61 3.293 -9.852 9.160 385 HB3 GLU 61 2HB GLU 61 3.845 -9.385 7.565 386 HG2 GLU 61 1HG GLU 61 2.926 -7.157 7.845 387 HG3 GLU 61 2HG GLU 61 2.222 -7.576 9.406 Start of MODEL 9 1 H1 TYR 1 H TYR 1 -14.004 5.483 1.830 2 HA TYR 1 HA TYR 1 -13.119 8.236 2.509 3 HB2 TYR 1 1HB TYR 1 -13.402 7.175 4.621 4 HB3 TYR 1 2HB TYR 1 -12.880 5.622 3.998 5 HD1 TYR 1 1HD TYR 1 -11.512 9.099 4.683 6 HD2 TYR 1 2HD TYR 1 -10.713 4.877 4.172 7 HE1 TYR 1 1HE TYR 1 -9.122 9.482 5.170 8 HE2 TYR 1 2HE TYR 1 -8.360 5.256 4.680 9 HH TYR 1 HH TYR 1 -6.896 8.289 5.718 10 H ASN 2 H ASN 2 -11.445 8.846 1.309 11 HA ASN 2 HA ASN 2 -10.069 6.950 -0.432 12 HB2 ASN 2 1HB ASN 2 -10.294 9.924 -0.223 13 HB3 ASN 2 2HB ASN 2 -8.702 9.335 -0.678 14 HD21 ASN 2 1HD2 ASN 2 -8.418 9.103 -2.860 15 HD22 ASN 2 2HD2 ASN 2 -9.708 8.606 -3.959 16 HA PRO 3 HA PRO 3 -7.028 6.399 2.919 17 HB2 PRO 3 1HB PRO 3 -5.323 4.673 1.564 18 HB3 PRO 3 2HB PRO 3 -6.812 4.172 2.396 19 HG2 PRO 3 1HG PRO 3 -6.381 4.590 -0.507 20 HG3 PRO 3 2HG PRO 3 -7.454 3.428 0.351 21 HD2 PRO 3 1HD PRO 3 -8.345 5.724 -0.861 22 HD3 PRO 3 2HD PRO 3 -9.183 4.871 0.478 23 H GLU 4 H GLU 4 -6.439 7.493 -0.353 24 HA GLU 4 HA GLU 4 -3.892 8.584 -0.196 25 HB2 GLU 4 1HB GLU 4 -6.460 9.337 -1.626 26 HB3 GLU 4 2HB GLU 4 -4.976 10.261 -1.868 27 HG2 GLU 4 1HG GLU 4 -3.799 8.334 -2.735 28 HG3 GLU 4 2HG GLU 4 -5.019 7.243 -2.161 29 H ASP 5 H ASP 5 -6.648 9.573 1.763 30 HA ASP 5 HA ASP 5 -5.789 12.248 2.370 31 HB2 ASP 5 1HB ASP 5 -7.570 10.179 3.610 32 HB3 ASP 5 2HB ASP 5 -6.847 11.309 4.723 33 H ASP 6 H ASP 6 -4.748 9.052 3.427 34 HA ASP 6 HA ASP 6 -2.753 10.160 5.374 35 HB2 ASP 6 1HB ASP 6 -4.287 7.546 5.409 36 HB3 ASP 6 2HB ASP 6 -2.881 7.895 6.390 37 H TYR 7 H TYR 7 -2.708 9.705 2.335 38 HA TYR 7 HA TYR 7 -0.544 7.755 1.999 39 HB2 TYR 7 1HB TYR 7 -1.783 8.133 0.021 40 HB3 TYR 7 2HB TYR 7 -1.783 9.875 0.245 41 HD1 TYR 7 2HD TYR 7 0.555 7.011 -0.419 42 HD2 TYR 7 1HD TYR 7 -0.187 11.229 -0.790 43 HE1 TYR 7 2HE TYR 7 2.503 7.224 -1.956 44 HE2 TYR 7 1HE TYR 7 1.786 11.451 -2.300 45 HH TYR 7 HH TYR 7 3.877 8.723 -3.181 46 H THR 8 H THR 8 1.567 8.202 2.406 47 HA THR 8 HA THR 8 2.321 11.029 3.014 48 HB THR 8 HB THR 8 3.441 10.408 4.914 49 HG1 THR 8 1HG THR 8 3.847 8.101 3.723 50 HG21 THR 8 3HG2 THR 8 1.848 9.366 6.354 51 HG22 THR 8 1HG2 THR 8 0.913 10.267 5.151 52 HG23 THR 8 2HG2 THR 8 1.094 8.513 5.014 53 HA PRO 9 HA PRO 9 4.709 9.634 -0.519 54 HB2 PRO 9 1HB PRO 9 5.827 12.038 -1.318 55 HB3 PRO 9 2HB PRO 9 4.163 11.537 -1.682 56 HG2 PRO 9 1HG PRO 9 5.093 13.357 0.540 57 HG3 PRO 9 2HG PRO 9 3.669 13.540 -0.546 58 HD2 PRO 9 1HD PRO 9 3.400 12.569 1.967 59 HD3 PRO 9 2HD PRO 9 2.447 11.903 0.593 60 H LEU 10 H LEU 10 6.226 11.502 2.161 61 HA LEU 10 HA LEU 10 8.821 11.540 1.035 62 HB2 LEU 10 1HB LEU 10 8.035 11.662 3.975 63 HB3 LEU 10 2HB LEU 10 9.563 12.185 3.297 64 HG LEU 10 HG LEU 10 6.866 13.448 2.650 65 HD11 LEU 10 1HD1 LEU 10 7.501 15.260 4.090 66 HD12 LEU 10 2HD1 LEU 10 7.657 13.762 5.014 67 HD13 LEU 10 3HD1 LEU 10 9.100 14.549 4.382 68 HD21 LEU 10 3HD2 LEU 10 8.217 15.285 1.678 69 HD22 LEU 10 1HD2 LEU 10 9.687 14.306 1.878 70 HD23 LEU 10 2HD2 LEU 10 8.383 13.773 0.792 71 H THR 11 H THR 11 7.250 9.138 3.112 72 HA THR 11 HA THR 11 9.739 7.519 3.154 73 HB THR 11 HB THR 11 8.681 6.280 4.925 74 HG1 THR 11 1HG THR 11 6.654 8.184 5.231 75 HG21 THR 11 3HG2 THR 11 8.620 9.293 5.468 76 HG22 THR 11 1HG2 THR 11 8.727 8.004 6.675 77 HG23 THR 11 2HG2 THR 11 10.051 8.241 5.518 78 H CYS 12 H CYS 12 7.055 7.881 1.194 79 HA CYS 12 HA CYS 12 6.609 5.017 0.763 80 HB2 CYS 12 1HB CYS 12 4.711 6.600 0.853 81 HB3 CYS 12 2HB CYS 12 5.347 7.434 -0.565 82 HA PRO 13 HA PRO 13 9.644 5.457 -2.668 83 HB2 PRO 13 1HB PRO 13 9.530 2.821 -3.534 84 HB3 PRO 13 2HB PRO 13 10.554 3.436 -2.192 85 HG2 PRO 13 1HG PRO 13 7.887 2.038 -2.062 86 HG3 PRO 13 2HG PRO 13 9.304 1.821 -1.012 87 HD2 PRO 13 1HD PRO 13 7.140 3.313 -0.332 88 HD3 PRO 13 2HD PRO 13 8.789 3.675 0.262 89 H HIS 14 H HIS 14 6.471 5.804 -2.844 90 HA HIS 14 HA HIS 14 6.326 5.384 -5.756 91 HB2 HIS 14 1HB HIS 14 3.890 4.516 -4.126 92 HB3 HIS 14 2HB HIS 14 4.343 4.246 -5.770 93 HD1 HIS 14 1HD HIS 14 6.217 2.534 -6.437 94 HD2 HIS 14 2HD HIS 14 4.783 2.532 -2.442 95 HE1 HIS 14 1HE HIS 14 6.545 0.210 -5.457 96 HE2 HIS 14 2HE HIS 14 5.898 0.247 -3.032 97 H THR 15 H THR 15 4.340 6.349 -6.649 98 HA THR 15 HA THR 15 4.016 9.052 -5.441 99 HB THR 15 HB THR 15 3.428 9.739 -7.748 100 HG1 THR 15 1HG THR 15 4.274 7.084 -8.390 101 HG21 THR 15 3HG2 THR 15 5.718 9.970 -6.829 102 HG22 THR 15 1HG2 THR 15 6.163 8.396 -7.519 103 HG23 THR 15 2HG2 THR 15 5.694 9.731 -8.579 104 H ILE 16 H ILE 16 1.804 9.962 -5.612 105 HA ILE 16 HA ILE 16 -0.146 8.143 -4.773 106 HB ILE 16 HB ILE 16 0.029 10.553 -4.358 107 HG12 ILE 16 1HG1 ILE 16 -2.747 9.793 -5.347 108 HG13 ILE 16 2HG1 ILE 16 -2.014 9.115 -3.900 109 HG21 ILE 16 1HG2 ILE 16 0.348 11.331 -6.691 110 HG22 ILE 16 2HG2 ILE 16 -1.339 10.951 -7.042 111 HG23 ILE 16 3HG2 ILE 16 -0.930 12.198 -5.863 112 HD11 ILE 16 3HD1 ILE 16 -2.599 12.070 -4.329 113 HD12 ILE 16 1HD1 ILE 16 -3.491 10.956 -3.306 114 HD13 ILE 16 2HD1 ILE 16 -1.820 11.359 -2.897 115 H SER 17 H SER 17 0.944 8.553 -7.950 116 HA SER 17 HA SER 17 -1.394 8.070 -9.526 117 HB2 SER 17 1HB SER 17 1.613 7.812 -9.903 118 HB3 SER 17 2HB SER 17 0.437 7.557 -11.174 119 HG SER 17 HG SER 17 -0.149 9.666 -11.083 120 H VAL 18 H VAL 18 1.359 6.007 -8.054 121 HA VAL 18 HA VAL 18 -0.201 3.654 -8.545 122 HB VAL 18 HB VAL 18 2.262 4.568 -9.653 123 HG11 VAL 18 1HG1 VAL 18 3.247 2.369 -10.001 124 HG12 VAL 18 2HG1 VAL 18 3.440 3.359 -8.533 125 HG13 VAL 18 3HG1 VAL 18 2.252 2.025 -8.517 126 HG21 VAL 18 3HG2 VAL 18 0.696 4.421 -11.307 127 HG22 VAL 18 1HG2 VAL 18 1.680 2.978 -11.539 128 HG23 VAL 18 2HG2 VAL 18 0.083 2.893 -10.758 129 H VAL 19 H VAL 19 -0.666 4.069 -6.383 130 HA VAL 19 HA VAL 19 1.428 3.000 -4.651 131 HB VAL 19 HB VAL 19 1.451 5.305 -4.245 132 HG11 VAL 19 1HG1 VAL 19 -1.412 5.260 -3.158 133 HG12 VAL 19 2HG1 VAL 19 -0.302 6.623 -3.177 134 HG13 VAL 19 3HG1 VAL 19 -0.915 5.991 -4.703 135 HG21 VAL 19 3HG2 VAL 19 2.012 3.807 -2.444 136 HG22 VAL 19 1HG2 VAL 19 1.248 5.248 -1.774 137 HG23 VAL 19 2HG2 VAL 19 0.333 3.755 -1.902 138 H TRP 20 H TRP 20 -2.107 3.935 -4.916 139 HA TRP 20 HA TRP 20 -3.071 1.799 -3.322 140 HB2 TRP 20 1HB TRP 20 -4.397 3.801 -3.898 141 HB3 TRP 20 2HB TRP 20 -4.453 3.288 -5.575 142 HD1 TRP 20 HD TRP 20 -6.284 1.555 -6.250 143 HE1 TRP 20 1HE TRP 20 -8.089 0.248 -5.014 144 HE3 TRP 20 3HE TRP 20 -4.991 2.725 -1.419 145 HZ2 TRP 20 2HZ TRP 20 -8.743 -0.436 -2.225 146 HZ3 TRP 20 3HZ TRP 20 -6.109 1.617 0.461 147 HH2 TRP 20 HH TRP 20 -8.052 0.110 0.076 148 H TYR 21 H TYR 21 -2.906 2.146 -6.910 149 HA TYR 21 HA TYR 21 -3.321 -0.521 -7.653 150 HB2 TYR 21 1HB TYR 21 -3.142 0.914 -9.465 151 HB3 TYR 21 2HB TYR 21 -1.795 1.814 -8.773 152 HD1 TYR 21 1HD TYR 21 -2.627 -1.512 -10.346 153 HD2 TYR 21 2HD TYR 21 0.460 1.384 -9.378 154 HE1 TYR 21 1HE TYR 21 -0.955 -2.884 -11.548 155 HE2 TYR 21 2HE TYR 21 2.117 0.014 -10.563 156 HH TYR 21 HH TYR 21 1.386 -3.243 -11.768 157 H GLU 22 H GLU 22 -0.086 0.967 -6.658 158 HA GLU 22 HA GLU 22 1.315 -1.419 -7.422 159 HB2 GLU 22 1HB GLU 22 2.881 0.086 -7.404 160 HB3 GLU 22 2HB GLU 22 1.917 1.320 -6.684 161 HG2 GLU 22 1HG GLU 22 3.488 1.292 -5.222 162 HG3 GLU 22 2HG GLU 22 2.385 0.307 -4.377 163 H CYS 23 H CYS 23 -0.414 -0.497 -4.421 164 HA CYS 23 HA CYS 23 1.063 -2.503 -2.899 165 HB2 CYS 23 1HB CYS 23 0.451 0.064 -2.287 166 HB3 CYS 23 2HB CYS 23 -0.997 -0.707 -1.690 167 H THR 24 H THR 24 -1.583 -2.499 -4.877 168 HA THR 24 HA THR 24 -2.738 -4.573 -3.192 169 HB THR 24 HB THR 24 -5.035 -3.808 -3.496 170 HG1 THR 24 1HG THR 24 -3.911 -1.554 -4.815 171 HG21 THR 24 3HG2 THR 24 -4.992 -1.602 -2.411 172 HG22 THR 24 1HG2 THR 24 -3.915 -2.777 -1.618 173 HG23 THR 24 2HG2 THR 24 -3.247 -1.504 -2.649 174 H GLU 25 H GLU 25 -1.425 -3.828 -6.161 175 HA GLU 25 HA GLU 25 -2.669 -6.148 -7.554 176 HB2 GLU 25 1HB GLU 25 -3.361 -3.773 -8.156 177 HB3 GLU 25 2HB GLU 25 -1.753 -3.507 -8.782 178 HG2 GLU 25 1HG GLU 25 -2.059 -4.823 -10.629 179 HG3 GLU 25 2HG GLU 25 -3.105 -5.974 -9.805 180 H ASN 26 H ASN 26 0.142 -3.954 -7.387 181 HA ASN 26 HA ASN 26 1.782 -5.596 -9.105 182 HB2 ASN 26 1HB ASN 26 1.930 -3.109 -8.854 183 HB3 ASN 26 2HB ASN 26 2.627 -3.371 -7.236 184 HD21 ASN 26 1HD2 ASN 26 4.439 -2.130 -7.925 185 HD22 ASN 26 2HD2 ASN 26 5.664 -2.899 -8.947 186 H THR 27 H THR 27 1.501 -7.656 -8.035 187 HA THR 27 HA THR 27 2.094 -8.251 -5.404 188 HB THR 27 HB THR 27 2.300 -10.588 -6.177 189 HG1 THR 27 1HG THR 27 2.247 -11.091 -8.211 190 HG21 THR 27 3HG2 THR 27 0.030 -10.840 -6.918 191 HG22 THR 27 1HG2 THR 27 0.060 -9.489 -5.769 192 HG23 THR 27 2HG2 THR 27 -0.052 -9.174 -7.505 193 H ALA 28 H ALA 28 4.509 -7.499 -7.757 194 HA ALA 28 HA ALA 28 6.729 -8.773 -6.605 195 HB1 ALA 28 1HB ALA 28 6.866 -7.390 -8.611 196 HB2 ALA 28 2HB ALA 28 6.534 -5.920 -7.652 197 HB3 ALA 28 3HB ALA 28 8.027 -6.848 -7.370 198 H ASN 29 H ASN 29 4.749 -6.126 -5.282 199 HA ASN 29 HA ASN 29 6.527 -6.046 -2.880 200 HB2 ASN 29 1HB ASN 29 5.286 -3.490 -3.688 201 HB3 ASN 29 2HB ASN 29 6.864 -3.781 -2.969 202 HD21 ASN 29 1HD2 ASN 29 5.431 -2.505 -5.605 203 HD22 ASN 29 2HD2 ASN 29 6.404 -3.088 -6.916 204 H CYS 30 H CYS 30 3.170 -5.763 -4.129 205 HA CYS 30 HA CYS 30 2.185 -4.285 -2.017 206 HB2 CYS 30 1HB CYS 30 0.013 -5.151 -2.564 207 HB3 CYS 30 2HB CYS 30 0.918 -4.636 -3.999 208 H GLY 31 H GLY 31 1.026 -4.722 -0.037 209 HA2 GLY 31 1HA GLY 31 0.441 -7.024 1.270 210 HA3 GLY 31 2HA GLY 31 2.208 -6.979 1.336 211 H THR 32 H THR 32 1.272 -6.939 3.774 212 HA THR 32 HA THR 32 0.207 -4.572 4.774 213 HB THR 32 HB THR 32 1.923 -6.595 6.214 214 HG1 THR 32 1HG THR 32 -0.848 -6.664 6.326 215 HG21 THR 32 3HG2 THR 32 1.461 -4.556 7.610 216 HG22 THR 32 1HG2 THR 32 -0.271 -4.846 7.420 217 HG23 THR 32 2HG2 THR 32 0.731 -6.032 8.245 218 H ALA 33 H ALA 33 3.696 -5.490 4.545 219 HA ALA 33 HA ALA 33 4.624 -3.138 5.894 220 HB1 ALA 33 1HB ALA 33 6.809 -3.737 4.970 221 HB2 ALA 33 2HB ALA 33 5.983 -5.188 5.562 222 HB3 ALA 33 3HB ALA 33 6.062 -4.859 3.813 223 H CYS 34 H CYS 34 3.909 -3.838 2.485 224 HA CYS 34 HA CYS 34 4.947 -1.452 1.294 225 HB2 CYS 34 1HB CYS 34 4.364 -3.254 -0.074 226 HB3 CYS 34 2HB CYS 34 2.757 -3.403 0.561 227 H CYS 35 H CYS 35 1.774 -2.268 2.604 228 HA CYS 35 HA CYS 35 0.535 0.264 2.201 229 HB2 CYS 35 1HB CYS 35 -0.017 -1.822 4.342 230 HB3 CYS 35 2HB CYS 35 -1.008 -0.401 4.066 231 H ASP 36 H ASP 36 2.126 -1.037 5.112 232 HA ASP 36 HA ASP 36 1.643 1.050 6.862 233 HB2 ASP 36 1HB ASP 36 2.321 -1.329 7.228 234 HB3 ASP 36 2HB ASP 36 3.968 -0.878 6.812 235 H SER 37 H SER 37 4.239 0.900 4.521 236 HA SER 37 HA SER 37 5.346 3.441 5.628 237 HB2 SER 37 1HB SER 37 6.465 1.195 4.052 238 HB3 SER 37 2HB SER 37 7.295 2.735 4.134 239 HG SER 37 HG SER 37 7.345 2.686 6.304 240 H CYS 38 H CYS 38 2.929 3.028 3.773 241 HA CYS 38 HA CYS 38 3.674 5.380 2.154 242 HB2 CYS 38 1HB CYS 38 2.398 2.819 1.263 243 HB3 CYS 38 2HB CYS 38 1.991 4.303 0.455 244 H PHE 39 H PHE 39 1.271 3.599 4.012 245 HA PHE 39 HA PHE 39 -0.655 5.810 3.879 246 HB2 PHE 39 1HB PHE 39 -1.171 2.818 3.677 247 HB3 PHE 39 2HB PHE 39 -2.393 4.013 3.962 248 HD1 PHE 39 1HD PHE 39 -2.730 5.899 2.163 249 HD2 PHE 39 2HD PHE 39 -0.743 2.136 1.443 250 HE1 PHE 39 1HE PHE 39 -3.361 6.003 -0.237 251 HE2 PHE 39 2HE PHE 39 -1.391 2.240 -0.935 252 HZ PHE 39 HZ PHE 39 -2.725 4.125 -1.761 253 H GLU 40 H GLU 40 -1.450 6.215 5.871 254 HA GLU 40 HA GLU 40 -0.589 4.495 8.181 255 HB2 GLU 40 1HB GLU 40 -0.871 7.491 8.133 256 HB3 GLU 40 2HB GLU 40 -0.232 6.490 9.455 257 HG2 GLU 40 1HG GLU 40 1.407 5.717 7.366 258 HG3 GLU 40 2HG GLU 40 1.046 7.354 6.918 259 H LEU 41 H LEU 41 -1.898 4.929 10.185 260 HA LEU 41 HA LEU 41 -3.825 4.768 11.279 261 HB2 LEU 41 1HB LEU 41 -4.386 7.289 9.702 262 HB3 LEU 41 2HB LEU 41 -5.142 6.844 11.225 263 HG LEU 41 HG LEU 41 -2.154 7.339 10.826 264 HD11 LEU 41 1HD1 LEU 41 -2.495 9.416 12.056 265 HD12 LEU 41 2HD1 LEU 41 -3.354 9.360 10.518 266 HD13 LEU 41 3HD1 LEU 41 -4.273 9.142 12.039 267 HD21 LEU 41 3HD2 LEU 41 -2.099 7.385 13.327 268 HD22 LEU 41 1HD2 LEU 41 -3.765 6.777 13.346 269 HD23 LEU 41 2HD2 LEU 41 -2.425 5.803 12.640 270 H THR 42 H THR 42 -6.295 6.189 9.427 271 HA THR 42 HA THR 42 -7.416 3.544 8.973 272 HB THR 42 HB THR 42 -8.423 6.340 8.329 273 HG1 THR 42 1HG THR 42 -8.860 4.465 10.428 274 HG21 THR 42 3HG2 THR 42 -10.649 5.274 8.174 275 HG22 THR 42 1HG2 THR 42 -9.579 4.720 6.901 276 HG23 THR 42 2HG2 THR 42 -9.870 3.682 8.265 277 H GLY 43 H GLY 43 -5.595 5.819 6.966 278 HA2 GLY 43 1HA GLY 43 -6.376 4.827 4.403 279 HA3 GLY 43 2HA GLY 43 -4.846 5.613 4.791 280 H ASN 44 H ASN 44 -3.949 3.886 6.775 281 HA ASN 44 HA ASN 44 -2.612 1.841 5.372 282 HB2 ASN 44 1HB ASN 44 -1.823 2.751 7.541 283 HB3 ASN 44 2HB ASN 44 -3.191 2.035 8.367 284 HD21 ASN 44 1HD2 ASN 44 -0.359 1.304 6.371 285 HD22 ASN 44 2HD2 ASN 44 -0.175 -0.357 6.957 286 H THR 45 H THR 45 -5.360 1.673 7.681 287 HA THR 45 HA THR 45 -5.838 -1.047 7.463 288 HB THR 45 HB THR 45 -7.867 1.154 7.847 289 HG1 THR 45 1HG THR 45 -5.839 0.663 9.393 290 HG21 THR 45 3HG2 THR 45 -9.134 -0.520 9.229 291 HG22 THR 45 1HG2 THR 45 -9.127 -0.787 7.484 292 HG23 THR 45 2HG2 THR 45 -8.073 -1.767 8.548 293 H MET 46 H MET 46 -7.312 1.524 5.388 294 HA MET 46 HA MET 46 -8.946 -0.270 3.847 295 HB2 MET 46 1HB MET 46 -7.911 2.371 2.990 296 HB3 MET 46 2HB MET 46 -9.182 1.389 2.249 297 HG2 MET 46 1HG MET 46 -9.213 2.816 4.904 298 HG3 MET 46 2HG MET 46 -10.373 2.714 3.573 299 HE1 MET 46 3HE MET 46 -11.100 2.852 6.606 300 HE2 MET 46 1HE MET 46 -12.406 2.784 5.412 301 HE3 MET 46 2HE MET 46 -12.386 1.647 6.784 302 H CYS 47 H CYS 47 -5.547 0.765 3.426 303 HA CYS 47 HA CYS 47 -5.068 -0.428 0.849 304 HB2 CYS 47 1HB CYS 47 -3.565 1.214 1.832 305 HB3 CYS 47 2HB CYS 47 -3.186 0.170 3.173 306 H LEU 48 H LEU 48 -4.546 -1.643 4.189 307 HA LEU 48 HA LEU 48 -3.767 -4.254 3.522 308 HB2 LEU 48 1HB LEU 48 -5.387 -3.265 5.917 309 HB3 LEU 48 2HB LEU 48 -4.573 -4.810 5.788 310 HG LEU 48 HG LEU 48 -3.170 -2.106 5.770 311 HD11 LEU 48 1HD1 LEU 48 -2.390 -2.765 8.013 312 HD12 LEU 48 2HD1 LEU 48 -4.152 -2.615 7.964 313 HD13 LEU 48 3HD1 LEU 48 -3.386 -4.216 7.937 314 HD21 LEU 48 3HD2 LEU 48 -1.916 -3.789 4.511 315 HD22 LEU 48 1HD2 LEU 48 -1.130 -3.350 6.023 316 HD23 LEU 48 2HD2 LEU 48 -2.029 -4.897 5.884 317 H LEU 49 H LEU 49 -7.033 -2.993 4.266 318 HA LEU 49 HA LEU 49 -8.384 -5.363 3.881 319 HB2 LEU 49 1HB LEU 49 -9.175 -2.586 4.084 320 HB3 LEU 49 2HB LEU 49 -10.054 -3.307 2.739 321 HG LEU 49 HG LEU 49 -10.578 -5.279 4.367 322 HD11 LEU 49 1HD1 LEU 49 -8.918 -4.581 6.129 323 HD12 LEU 49 2HD1 LEU 49 -9.872 -3.117 6.414 324 HD13 LEU 49 3HD1 LEU 49 -10.568 -4.716 6.754 325 HD21 LEU 49 3HD2 LEU 49 -11.786 -2.519 4.823 326 HD22 LEU 49 1HD2 LEU 49 -12.263 -3.711 3.594 327 HD23 LEU 49 2HD2 LEU 49 -12.517 -4.073 5.306 328 H GLN 50 H GLN 50 -7.380 -3.153 1.179 329 HA GLN 50 HA GLN 50 -8.702 -4.763 -0.811 330 HB2 GLN 50 1HB GLN 50 -7.865 -2.285 -0.995 331 HB3 GLN 50 2HB GLN 50 -6.289 -2.968 -1.242 332 HG2 GLN 50 1HG GLN 50 -7.313 -2.505 -3.408 333 HG3 GLN 50 2HG GLN 50 -7.215 -4.267 -3.192 334 HE21 GLN 50 1HE2 GLN 50 -9.012 -4.978 -4.437 335 HE22 GLN 50 2HE2 GLN 50 -10.643 -4.513 -4.023 336 H ALA 51 H ALA 51 -5.233 -4.402 0.157 337 HA ALA 51 HA ALA 51 -4.084 -6.269 -1.514 338 HB1 ALA 51 1HB ALA 51 -3.330 -5.639 1.377 339 HB2 ALA 51 2HB ALA 51 -2.282 -6.421 0.178 340 HB3 ALA 51 3HB ALA 51 -2.808 -4.743 -0.061 341 H GLY 52 H GLY 52 -5.309 -6.940 1.802 342 HA2 GLY 52 1HA GLY 52 -5.133 -9.849 1.384 343 HA3 GLY 52 2HA GLY 52 -5.473 -8.988 2.875 344 H ALA 53 H ALA 53 -7.266 -8.300 -0.165 345 HA ALA 53 HA ALA 53 -9.815 -9.012 1.073 346 HB1 ALA 53 1HB ALA 53 -10.784 -8.480 -1.123 347 HB2 ALA 53 2HB ALA 53 -9.712 -7.161 -0.595 348 HB3 ALA 53 3HB ALA 53 -9.203 -8.296 -1.848 349 H ALA 54 H ALA 54 -8.552 -10.153 -2.080 350 HA ALA 54 HA ALA 54 -8.575 -12.927 -1.460 351 HB1 ALA 54 1HB ALA 54 -10.990 -11.668 -2.813 352 HB2 ALA 54 2HB ALA 54 -10.576 -13.362 -3.037 353 HB3 ALA 54 3HB ALA 54 -10.990 -12.751 -1.415 354 H GLY 55 H GLY 55 -7.793 -14.071 -3.242 355 HA2 GLY 55 1HA GLY 55 -6.943 -14.442 -5.367 356 HA3 GLY 55 2HA GLY 55 -7.443 -12.834 -5.879 357 H SER 56 H SER 56 -6.197 -11.087 -4.275 358 HA SER 56 HA SER 56 -3.862 -10.737 -5.617 359 HB2 SER 56 1HB SER 56 -4.668 -9.773 -2.886 360 HB3 SER 56 2HB SER 56 -3.253 -9.162 -3.725 361 HG SER 56 HG SER 56 -4.399 -8.145 -5.094 362 H GLY 57 H GLY 57 -1.913 -11.502 -5.632 363 HA2 GLY 57 1HA GLY 57 -0.746 -13.216 -3.524 364 HA3 GLY 57 2HA GLY 57 -0.063 -12.799 -5.113 365 H CYS 58 H CYS 58 -1.364 -10.675 -2.603 366 HA CYS 58 HA CYS 58 1.148 -9.138 -2.390 367 HB2 CYS 58 1HB CYS 58 -1.612 -8.875 -1.134 368 HB3 CYS 58 2HB CYS 58 -0.274 -7.754 -0.867 369 H ASP 59 H ASP 59 2.090 -9.006 -0.263 370 HA ASP 59 HA ASP 59 1.737 -11.569 1.215 371 HB2 ASP 59 1HB ASP 59 3.978 -11.037 0.161 372 HB3 ASP 59 2HB ASP 59 4.153 -9.735 1.365 373 H MET 60 H MET 60 0.286 -11.271 2.863 374 HA MET 60 HA MET 60 0.786 -8.945 4.639 375 HB2 MET 60 1HB MET 60 -1.470 -8.997 5.349 376 HB3 MET 60 2HB MET 60 -1.431 -8.781 3.593 377 HG2 MET 60 1HG MET 60 -2.237 -10.999 3.250 378 HG3 MET 60 2HG MET 60 -1.844 -11.478 4.907 379 HE1 MET 60 3HE MET 60 -4.718 -12.297 3.829 380 HE2 MET 60 1HE MET 60 -3.755 -12.626 5.293 381 HE3 MET 60 2HE MET 60 -5.402 -12.010 5.453 382 H GLU 61 H GLU 61 0.414 -9.215 6.833 383 HA GLU 61 HA GLU 61 1.747 -11.539 7.851 384 HB2 GLU 61 1HB GLU 61 1.721 -10.427 9.989 385 HB3 GLU 61 2HB GLU 61 2.251 -9.352 8.697 386 HG2 GLU 61 1HG GLU 61 0.037 -8.245 8.691 387 HG3 GLU 61 2HG GLU 61 -0.531 -9.345 9.945 Start of MODEL 10 1 H1 TYR 1 H TYR 1 -14.056 9.704 2.074 2 HA TYR 1 HA TYR 1 -12.079 9.294 3.357 3 HB2 TYR 1 1HB TYR 1 -13.186 7.593 4.890 4 HB3 TYR 1 2HB TYR 1 -12.969 6.396 3.614 5 HD1 TYR 1 1HD TYR 1 -11.159 9.016 5.600 6 HD2 TYR 1 2HD TYR 1 -10.777 5.345 3.315 7 HE1 TYR 1 1HE TYR 1 -8.744 9.064 5.922 8 HE2 TYR 1 2HE TYR 1 -8.367 5.372 3.716 9 HH TYR 1 HH TYR 1 -6.648 7.838 5.652 10 H ASN 2 H ASN 2 -10.280 9.113 1.965 11 HA ASN 2 HA ASN 2 -10.302 6.846 0.121 12 HB2 ASN 2 1HB ASN 2 -9.680 9.741 -0.532 13 HB3 ASN 2 2HB ASN 2 -8.687 8.490 -1.191 14 HD21 ASN 2 1HD2 ASN 2 -9.284 7.896 -3.215 15 HD22 ASN 2 2HD2 ASN 2 -10.925 7.927 -3.839 16 HA PRO 3 HA PRO 3 -6.758 6.081 2.584 17 HB2 PRO 3 1HB PRO 3 -5.082 4.722 0.793 18 HB3 PRO 3 2HB PRO 3 -6.434 3.985 1.658 19 HG2 PRO 3 1HG PRO 3 -6.353 4.996 -1.152 20 HG3 PRO 3 2HG PRO 3 -7.244 3.594 -0.488 21 HD2 PRO 3 1HD PRO 3 -8.498 5.906 -1.072 22 HD3 PRO 3 2HD PRO 3 -8.985 4.859 0.285 23 H GLU 4 H GLU 4 -6.373 7.863 -0.364 24 HA GLU 4 HA GLU 4 -3.734 8.827 -0.041 25 HB2 GLU 4 1HB GLU 4 -6.232 9.839 -1.409 26 HB3 GLU 4 2HB GLU 4 -4.698 10.704 -1.511 27 HG2 GLU 4 1HG GLU 4 -3.627 8.826 -2.601 28 HG3 GLU 4 2HG GLU 4 -4.995 7.773 -2.265 29 H ASP 5 H ASP 5 -6.502 9.450 1.945 30 HA ASP 5 HA ASP 5 -5.823 12.100 2.915 31 HB2 ASP 5 1HB ASP 5 -8.051 11.031 3.183 32 HB3 ASP 5 2HB ASP 5 -7.322 9.819 4.222 33 H ASP 6 H ASP 6 -4.456 8.920 3.415 34 HA ASP 6 HA ASP 6 -2.687 9.988 5.576 35 HB2 ASP 6 1HB ASP 6 -4.041 7.292 5.376 36 HB3 ASP 6 2HB ASP 6 -2.698 7.647 6.455 37 H TYR 7 H TYR 7 -2.447 9.720 2.488 38 HA TYR 7 HA TYR 7 -0.461 7.673 1.996 39 HB2 TYR 7 1HB TYR 7 -1.625 8.536 0.126 40 HB3 TYR 7 2HB TYR 7 -1.354 10.213 0.603 41 HD1 TYR 7 2HD TYR 7 0.931 7.253 -0.061 42 HD2 TYR 7 1HD TYR 7 -0.081 11.345 -0.973 43 HE1 TYR 7 2HE TYR 7 2.812 7.368 -1.670 44 HE2 TYR 7 1HE TYR 7 1.769 11.450 -2.603 45 HH TYR 7 HH TYR 7 3.698 8.513 -3.428 46 H THR 8 H THR 8 1.679 7.708 2.478 47 HA THR 8 HA THR 8 2.816 10.175 3.654 48 HB THR 8 HB THR 8 4.338 8.672 4.838 49 HG1 THR 8 1HG THR 8 4.458 6.889 3.679 50 HG21 THR 8 3HG2 THR 8 2.147 9.330 5.897 51 HG22 THR 8 1HG2 THR 8 1.455 7.817 5.302 52 HG23 THR 8 2HG2 THR 8 2.788 7.781 6.453 53 HA PRO 9 HA PRO 9 4.860 9.555 -0.515 54 HB2 PRO 9 1HB PRO 9 5.474 12.258 -0.898 55 HB3 PRO 9 2HB PRO 9 4.021 11.438 -1.511 56 HG2 PRO 9 1HG PRO 9 4.329 13.130 0.968 57 HG3 PRO 9 2HG PRO 9 2.940 13.050 -0.174 58 HD2 PRO 9 1HD PRO 9 2.893 11.793 2.237 59 HD3 PRO 9 2HD PRO 9 2.138 11.063 0.789 60 H LEU 10 H LEU 10 5.853 11.296 2.378 61 HA LEU 10 HA LEU 10 8.553 11.843 1.648 62 HB2 LEU 10 1HB LEU 10 7.416 11.320 4.425 63 HB3 LEU 10 2HB LEU 10 8.922 12.125 4.014 64 HG LEU 10 HG LEU 10 6.099 13.141 3.532 65 HD11 LEU 10 1HD1 LEU 10 6.977 13.392 5.811 66 HD12 LEU 10 2HD1 LEU 10 8.436 14.196 5.173 67 HD13 LEU 10 3HD1 LEU 10 6.850 14.960 5.004 68 HD21 LEU 10 3HD2 LEU 10 8.728 14.349 2.578 69 HD22 LEU 10 1HD2 LEU 10 7.349 13.837 1.570 70 HD23 LEU 10 2HD2 LEU 10 7.184 15.226 2.645 71 H THR 11 H THR 11 7.029 8.917 2.997 72 HA THR 11 HA THR 11 9.644 7.538 3.098 73 HB THR 11 HB THR 11 8.145 5.896 4.430 74 HG1 THR 11 1HG THR 11 6.250 6.591 5.095 75 HG21 THR 11 3HG2 THR 11 8.656 8.696 5.503 76 HG22 THR 11 1HG2 THR 11 8.372 7.251 6.488 77 HG23 THR 11 2HG2 THR 11 9.822 7.365 5.474 78 H CYS 12 H CYS 12 6.836 7.828 1.100 79 HA CYS 12 HA CYS 12 6.818 5.017 0.397 80 HB2 CYS 12 1HB CYS 12 4.778 6.424 0.655 81 HB3 CYS 12 2HB CYS 12 5.245 7.303 -0.811 82 HA PRO 13 HA PRO 13 9.397 5.884 -3.265 83 HB2 PRO 13 1HB PRO 13 9.796 3.316 -4.138 84 HB3 PRO 13 2HB PRO 13 10.615 4.029 -2.707 85 HG2 PRO 13 1HG PRO 13 8.228 2.191 -2.779 86 HG3 PRO 13 2HG PRO 13 9.658 2.171 -1.698 87 HD2 PRO 13 1HD PRO 13 7.180 3.289 -1.049 88 HD3 PRO 13 2HD PRO 13 8.729 3.766 -0.304 89 H HIS 14 H HIS 14 6.204 5.587 -3.208 90 HA HIS 14 HA HIS 14 5.925 5.098 -6.127 91 HB2 HIS 14 1HB HIS 14 3.755 4.384 -4.209 92 HB3 HIS 14 2HB HIS 14 3.933 3.860 -5.842 93 HD1 HIS 14 1HD HIS 14 6.337 1.994 -6.031 94 HD2 HIS 14 2HD HIS 14 4.066 2.554 -2.506 95 HE1 HIS 14 1HE HIS 14 6.868 0.036 -4.467 96 HE2 HIS 14 2HE HIS 14 5.598 0.442 -2.283 97 H THR 15 H THR 15 4.871 6.662 -7.149 98 HA THR 15 HA THR 15 4.202 9.114 -5.849 99 HB THR 15 HB THR 15 3.563 9.672 -8.214 100 HG1 THR 15 1HG THR 15 2.976 7.302 -8.567 101 HG21 THR 15 3HG2 THR 15 5.956 9.719 -7.404 102 HG22 THR 15 1HG2 THR 15 6.159 8.068 -8.022 103 HG23 THR 15 2HG2 THR 15 5.808 9.390 -9.147 104 H ILE 16 H ILE 16 2.031 10.086 -5.745 105 HA ILE 16 HA ILE 16 0.077 8.367 -4.780 106 HB ILE 16 HB ILE 16 0.298 10.792 -4.328 107 HG12 ILE 16 1HG1 ILE 16 -2.545 10.025 -5.109 108 HG13 ILE 16 2HG1 ILE 16 -1.729 9.434 -3.659 109 HG21 ILE 16 1HG2 ILE 16 -1.303 11.281 -6.849 110 HG22 ILE 16 2HG2 ILE 16 -0.590 12.465 -5.753 111 HG23 ILE 16 3HG2 ILE 16 0.445 11.463 -6.767 112 HD11 ILE 16 3HD1 ILE 16 -1.419 11.794 -2.885 113 HD12 ILE 16 1HD1 ILE 16 -2.411 12.329 -4.269 114 HD13 ILE 16 2HD1 ILE 16 -3.104 11.283 -3.025 115 H SER 17 H SER 17 0.728 9.175 -8.065 116 HA SER 17 HA SER 17 -1.645 8.690 -9.411 117 HB2 SER 17 1HB SER 17 1.168 8.362 -10.054 118 HB3 SER 17 2HB SER 17 -0.119 8.355 -11.246 119 HG SER 17 HG SER 17 -0.643 10.464 -10.610 120 H VAL 18 H VAL 18 0.742 6.586 -8.009 121 HA VAL 18 HA VAL 18 -0.654 4.071 -8.776 122 HB VAL 18 HB VAL 18 1.284 3.027 -9.657 123 HG11 VAL 18 1HG1 VAL 18 1.705 4.128 -11.743 124 HG12 VAL 18 2HG1 VAL 18 0.006 4.380 -11.296 125 HG13 VAL 18 3HG1 VAL 18 1.186 5.693 -11.101 126 HG21 VAL 18 3HG2 VAL 18 3.386 4.761 -10.065 127 HG22 VAL 18 1HG2 VAL 18 2.746 5.285 -8.467 128 HG23 VAL 18 2HG2 VAL 18 3.228 3.611 -8.704 129 H VAL 19 H VAL 19 -0.664 5.471 -6.303 130 HA VAL 19 HA VAL 19 1.012 3.543 -4.795 131 HB VAL 19 HB VAL 19 1.260 6.011 -4.307 132 HG11 VAL 19 1HG1 VAL 19 -1.392 5.703 -2.849 133 HG12 VAL 19 2HG1 VAL 19 -0.399 7.161 -2.994 134 HG13 VAL 19 3HG1 VAL 19 -1.226 6.487 -4.436 135 HG21 VAL 19 3HG2 VAL 19 1.425 5.724 -1.862 136 HG22 VAL 19 1HG2 VAL 19 0.527 4.236 -1.940 137 HG23 VAL 19 2HG2 VAL 19 2.093 4.337 -2.745 138 H TRP 20 H TRP 20 -2.054 3.570 -6.001 139 HA TRP 20 HA TRP 20 -3.027 1.898 -3.725 140 HB2 TRP 20 1HB TRP 20 -4.572 3.527 -4.914 141 HB3 TRP 20 2HB TRP 20 -4.408 2.556 -6.372 142 HD1 TRP 20 HD TRP 20 -6.197 0.728 -6.615 143 HE1 TRP 20 1HE TRP 20 -7.819 -0.501 -5.077 144 HE3 TRP 20 3HE TRP 20 -4.538 2.559 -2.129 145 HZ2 TRP 20 2HZ TRP 20 -8.497 -0.461 -2.190 146 HZ3 TRP 20 3HZ TRP 20 -5.597 1.855 -0.026 147 HH2 TRP 20 HH TRP 20 -7.648 0.458 -0.068 148 H TYR 21 H TYR 21 -2.434 1.703 -7.189 149 HA TYR 21 HA TYR 21 -2.979 -1.080 -7.434 150 HB2 TYR 21 1HB TYR 21 -3.066 0.373 -9.325 151 HB3 TYR 21 2HB TYR 21 -1.428 0.922 -9.096 152 HD1 TYR 21 2HD TYR 21 0.517 -0.506 -9.739 153 HD2 TYR 21 1HD TYR 21 -3.560 -1.732 -10.484 154 HE1 TYR 21 2HE TYR 21 1.326 -2.286 -11.261 155 HE2 TYR 21 1HE TYR 21 -2.759 -3.494 -11.995 156 HH TYR 21 HH TYR 21 -0.866 -4.778 -12.464 157 H GLU 22 H GLU 22 0.057 0.588 -6.515 158 HA GLU 22 HA GLU 22 1.930 -1.378 -7.269 159 HB2 GLU 22 1HB GLU 22 3.221 0.441 -6.857 160 HB3 GLU 22 2HB GLU 22 1.742 1.169 -6.870 161 HG2 GLU 22 1HG GLU 22 3.270 0.194 -4.423 162 HG3 GLU 22 2HG GLU 22 3.008 1.765 -5.194 163 H CYS 23 H CYS 23 0.257 -0.587 -4.257 164 HA CYS 23 HA CYS 23 1.506 -2.779 -2.738 165 HB2 CYS 23 1HB CYS 23 0.243 -0.094 -2.006 166 HB3 CYS 23 2HB CYS 23 0.359 -1.389 -0.824 167 H THR 24 H THR 24 -1.293 -2.328 -4.513 168 HA THR 24 HA THR 24 -2.534 -4.276 -2.782 169 HB THR 24 HB THR 24 -4.710 -3.414 -2.942 170 HG1 THR 24 1HG THR 24 -3.649 -1.322 -4.513 171 HG21 THR 24 3HG2 THR 24 -2.899 -1.077 -2.245 172 HG22 THR 24 1HG2 THR 24 -4.596 -1.253 -1.814 173 HG23 THR 24 2HG2 THR 24 -3.395 -2.382 -1.151 174 H GLU 25 H GLU 25 -1.511 -3.717 -5.942 175 HA GLU 25 HA GLU 25 -3.192 -5.942 -7.001 176 HB2 GLU 25 1HB GLU 25 -3.599 -3.324 -7.583 177 HB3 GLU 25 2HB GLU 25 -2.297 -3.634 -8.691 178 HG2 GLU 25 1HG GLU 25 -3.978 -4.205 -10.092 179 HG3 GLU 25 2HG GLU 25 -3.831 -5.777 -9.309 180 H ASN 26 H ASN 26 -0.163 -4.186 -6.985 181 HA ASN 26 HA ASN 26 1.216 -6.116 -8.732 182 HB2 ASN 26 1HB ASN 26 1.624 -3.719 -8.982 183 HB3 ASN 26 2HB ASN 26 2.190 -3.657 -7.298 184 HD21 ASN 26 1HD2 ASN 26 4.033 -2.718 -8.531 185 HD22 ASN 26 2HD2 ASN 26 5.331 -3.798 -9.048 186 H THR 27 H THR 27 1.506 -8.059 -7.778 187 HA THR 27 HA THR 27 2.065 -8.650 -5.115 188 HB THR 27 HB THR 27 3.010 -10.769 -6.404 189 HG1 THR 27 1HG THR 27 2.822 -10.671 -8.479 190 HG21 THR 27 3HG2 THR 27 0.093 -9.874 -6.591 191 HG22 THR 27 1HG2 THR 27 0.678 -11.539 -6.736 192 HG23 THR 27 2HG2 THR 27 0.848 -10.690 -5.200 193 H ALA 28 H ALA 28 4.257 -7.312 -7.529 194 HA ALA 28 HA ALA 28 6.666 -8.232 -6.259 195 HB1 ALA 28 1HB ALA 28 6.254 -5.788 -8.020 196 HB2 ALA 28 2HB ALA 28 7.773 -6.636 -7.698 197 HB3 ALA 28 3HB ALA 28 6.501 -7.450 -8.630 198 H ASN 29 H ASN 29 4.376 -6.070 -5.001 199 HA ASN 29 HA ASN 29 6.467 -5.244 -3.055 200 HB2 ASN 29 1HB ASN 29 4.286 -3.258 -3.669 201 HB3 ASN 29 2HB ASN 29 5.785 -3.033 -2.772 202 HD21 ASN 29 1HD2 ASN 29 4.177 -2.686 -5.698 203 HD22 ASN 29 2HD2 ASN 29 5.512 -2.206 -6.748 204 H CYS 30 H CYS 30 3.022 -5.735 -3.816 205 HA CYS 30 HA CYS 30 1.958 -4.567 -1.637 206 HB2 CYS 30 1HB CYS 30 -0.128 -5.513 -2.290 207 HB3 CYS 30 2HB CYS 30 0.820 -5.218 -3.721 208 H GLY 31 H GLY 31 0.962 -5.077 0.338 209 HA2 GLY 31 1HA GLY 31 0.471 -7.210 1.790 210 HA3 GLY 31 2HA GLY 31 2.230 -7.304 1.767 211 H THR 32 H THR 32 1.420 -7.057 4.200 212 HA THR 32 HA THR 32 0.251 -4.775 5.093 213 HB THR 32 HB THR 32 2.339 -6.348 6.619 214 HG1 THR 32 1HG THR 32 0.604 -7.696 7.222 215 HG21 THR 32 3HG2 THR 32 1.234 -5.817 8.593 216 HG22 THR 32 1HG2 THR 32 1.244 -4.297 7.713 217 HG23 THR 32 2HG2 THR 32 -0.253 -5.277 7.766 218 H ALA 33 H ALA 33 3.737 -5.410 4.993 219 HA ALA 33 HA ALA 33 4.444 -2.899 6.174 220 HB1 ALA 33 1HB ALA 33 6.082 -4.887 4.575 221 HB2 ALA 33 2HB ALA 33 6.756 -3.512 5.466 222 HB3 ALA 33 3HB ALA 33 5.928 -4.809 6.341 223 H CYS 34 H CYS 34 3.816 -3.924 2.873 224 HA CYS 34 HA CYS 34 4.869 -1.685 1.444 225 HB2 CYS 34 1HB CYS 34 3.797 -3.924 0.602 226 HB3 CYS 34 2HB CYS 34 2.271 -3.070 0.723 227 H CYS 35 H CYS 35 1.620 -2.346 2.843 228 HA CYS 35 HA CYS 35 0.503 0.191 2.280 229 HB2 CYS 35 1HB CYS 35 -0.159 -1.822 4.466 230 HB3 CYS 35 2HB CYS 35 -1.119 -0.398 4.098 231 H ASP 36 H ASP 36 1.945 -0.994 5.423 232 HA ASP 36 HA ASP 36 1.619 1.446 6.773 233 HB2 ASP 36 1HB ASP 36 3.335 -0.976 7.120 234 HB3 ASP 36 2HB ASP 36 3.789 0.474 7.999 235 H SER 37 H SER 37 4.256 0.554 4.534 236 HA SER 37 HA SER 37 5.860 2.879 5.250 237 HB2 SER 37 1HB SER 37 6.008 0.824 3.018 238 HB3 SER 37 2HB SER 37 7.220 2.085 3.277 239 HG SER 37 HG SER 37 7.375 -0.168 4.330 240 H CYS 38 H CYS 38 2.974 2.739 3.474 241 HA CYS 38 HA CYS 38 3.689 5.212 2.011 242 HB2 CYS 38 1HB CYS 38 2.417 2.655 1.008 243 HB3 CYS 38 2HB CYS 38 2.154 4.188 0.206 244 H PHE 39 H PHE 39 1.489 3.623 4.144 245 HA PHE 39 HA PHE 39 -0.449 5.800 3.947 246 HB2 PHE 39 1HB PHE 39 -1.080 2.823 3.803 247 HB3 PHE 39 2HB PHE 39 -2.248 4.081 4.111 248 HD1 PHE 39 2HD PHE 39 -2.354 6.036 2.278 249 HD2 PHE 39 1HD PHE 39 -0.884 2.038 1.615 250 HE1 PHE 39 2HE PHE 39 -2.974 6.201 -0.113 251 HE2 PHE 39 1HE PHE 39 -1.552 2.179 -0.756 252 HZ PHE 39 HZ PHE 39 -2.628 4.214 -1.602 253 H GLU 40 H GLU 40 -1.345 6.197 5.960 254 HA GLU 40 HA GLU 40 -0.687 4.288 8.165 255 HB2 GLU 40 1HB GLU 40 -1.101 7.280 8.322 256 HB3 GLU 40 2HB GLU 40 -0.564 6.209 9.631 257 HG2 GLU 40 1HG GLU 40 1.498 5.750 8.293 258 HG3 GLU 40 2HG GLU 40 0.934 7.040 7.221 259 H LEU 41 H LEU 41 -2.197 4.505 10.019 260 HA LEU 41 HA LEU 41 -4.254 4.425 10.994 261 HB2 LEU 41 1HB LEU 41 -4.576 7.042 9.488 262 HB3 LEU 41 2HB LEU 41 -5.358 6.596 10.997 263 HG LEU 41 HG LEU 41 -2.375 7.064 10.574 264 HD11 LEU 41 1HD1 LEU 41 -2.633 9.029 11.944 265 HD12 LEU 41 2HD1 LEU 41 -3.714 9.120 10.554 266 HD13 LEU 41 3HD1 LEU 41 -4.366 8.707 12.162 267 HD21 LEU 41 3HD2 LEU 41 -2.691 5.360 12.310 268 HD22 LEU 41 1HD2 LEU 41 -2.192 6.887 13.034 269 HD23 LEU 41 2HD2 LEU 41 -3.902 6.383 13.120 270 H THR 42 H THR 42 -6.337 6.152 9.025 271 HA THR 42 HA THR 42 -7.902 3.738 8.519 272 HB THR 42 HB THR 42 -8.358 6.643 7.739 273 HG1 THR 42 1HG THR 42 -8.375 6.101 10.023 274 HG21 THR 42 3HG2 THR 42 -10.423 4.400 7.902 275 HG22 THR 42 1HG2 THR 42 -10.659 6.076 7.348 276 HG23 THR 42 2HG2 THR 42 -9.724 4.949 6.367 277 H GLY 43 H GLY 43 -5.568 5.677 6.606 278 HA2 GLY 43 1HA GLY 43 -6.392 4.615 4.059 279 HA3 GLY 43 2HA GLY 43 -4.879 5.463 4.426 280 H ASN 44 H ASN 44 -3.975 3.826 6.473 281 HA ASN 44 HA ASN 44 -2.638 1.668 5.247 282 HB2 ASN 44 1HB ASN 44 -1.893 2.688 7.314 283 HB3 ASN 44 2HB ASN 44 -3.315 2.098 8.172 284 HD21 ASN 44 1HD2 ASN 44 -0.412 1.135 6.381 285 HD22 ASN 44 2HD2 ASN 44 -0.228 -0.394 7.270 286 H THR 45 H THR 45 -5.482 1.760 7.392 287 HA THR 45 HA THR 45 -6.212 -0.921 7.354 288 HB THR 45 HB THR 45 -8.110 1.427 7.313 289 HG1 THR 45 1HG THR 45 -6.545 1.723 8.959 290 HG21 THR 45 3HG2 THR 45 -9.549 0.020 8.758 291 HG22 THR 45 1HG2 THR 45 -9.359 -0.602 7.117 292 HG23 THR 45 2HG2 THR 45 -8.459 -1.350 8.455 293 H MET 46 H MET 46 -7.522 1.627 5.071 294 HA MET 46 HA MET 46 -8.985 -0.192 3.503 295 HB2 MET 46 1HB MET 46 -7.853 2.475 2.734 296 HB3 MET 46 2HB MET 46 -9.031 1.522 1.827 297 HG2 MET 46 1HG MET 46 -9.372 3.057 4.339 298 HG3 MET 46 2HG MET 46 -10.451 2.736 2.994 299 HE1 MET 46 3HE MET 46 -11.798 1.719 6.805 300 HE2 MET 46 1HE MET 46 -10.212 2.478 6.591 301 HE3 MET 46 2HE MET 46 -11.631 3.144 5.761 302 H CYS 47 H CYS 47 -5.556 0.846 3.122 303 HA CYS 47 HA CYS 47 -5.023 -0.516 0.681 304 HB2 CYS 47 1HB CYS 47 -3.546 1.154 1.645 305 HB3 CYS 47 2HB CYS 47 -3.226 0.149 3.050 306 H LEU 48 H LEU 48 -4.587 -1.626 4.108 307 HA LEU 48 HA LEU 48 -3.768 -4.258 3.549 308 HB2 LEU 48 1HB LEU 48 -5.403 -3.100 5.848 309 HB3 LEU 48 2HB LEU 48 -4.790 -4.735 5.819 310 HG LEU 48 HG LEU 48 -2.977 -2.300 5.617 311 HD11 LEU 48 1HD1 LEU 48 -4.150 -2.232 7.754 312 HD12 LEU 48 2HD1 LEU 48 -3.789 -3.944 8.047 313 HD13 LEU 48 3HD1 LEU 48 -2.474 -2.751 8.015 314 HD21 LEU 48 3HD2 LEU 48 -1.965 -4.363 4.755 315 HD22 LEU 48 1HD2 LEU 48 -1.231 -3.820 6.278 316 HD23 LEU 48 2HD2 LEU 48 -2.366 -5.200 6.278 317 H LEU 49 H LEU 49 -7.060 -2.940 4.064 318 HA LEU 49 HA LEU 49 -8.402 -5.374 3.750 319 HB2 LEU 49 1HB LEU 49 -9.163 -2.659 4.122 320 HB3 LEU 49 2HB LEU 49 -9.921 -3.100 2.620 321 HG LEU 49 HG LEU 49 -10.386 -5.334 4.367 322 HD11 LEU 49 1HD1 LEU 49 -9.638 -3.777 6.181 323 HD12 LEU 49 2HD1 LEU 49 -10.985 -2.701 5.777 324 HD13 LEU 49 3HD1 LEU 49 -11.299 -4.380 6.348 325 HD21 LEU 49 3HD2 LEU 49 -12.232 -3.075 3.534 326 HD22 LEU 49 1HD2 LEU 49 -11.967 -4.632 2.715 327 HD23 LEU 49 2HD2 LEU 49 -12.735 -4.602 4.305 328 H GLN 50 H GLN 50 -7.184 -3.235 1.189 329 HA GLN 50 HA GLN 50 -8.516 -4.750 -0.908 330 HB2 GLN 50 1HB GLN 50 -7.951 -2.291 -0.966 331 HB3 GLN 50 2HB GLN 50 -6.251 -2.732 -1.067 332 HG2 GLN 50 1HG GLN 50 -7.025 -2.313 -3.313 333 HG3 GLN 50 2HG GLN 50 -6.764 -4.037 -3.149 334 HE21 GLN 50 1HE2 GLN 50 -8.194 -4.772 -4.683 335 HE22 GLN 50 2HE2 GLN 50 -9.938 -4.657 -4.529 336 H ALA 51 H ALA 51 -5.138 -4.421 0.332 337 HA ALA 51 HA ALA 51 -3.870 -6.104 -1.513 338 HB1 ALA 51 1HB ALA 51 -2.053 -6.246 0.186 339 HB2 ALA 51 2HB ALA 51 -2.654 -4.591 0.020 340 HB3 ALA 51 3HB ALA 51 -3.136 -5.575 1.412 341 H GLY 52 H GLY 52 -5.123 -6.920 1.766 342 HA2 GLY 52 1HA GLY 52 -5.057 -9.803 1.150 343 HA3 GLY 52 2HA GLY 52 -5.053 -9.061 2.749 344 H ALA 53 H ALA 53 -7.082 -8.387 -0.123 345 HA ALA 53 HA ALA 53 -9.608 -8.374 1.263 346 HB1 ALA 53 1HB ALA 53 -10.498 -8.337 -1.074 347 HB2 ALA 53 2HB ALA 53 -9.246 -7.107 -0.836 348 HB3 ALA 53 3HB ALA 53 -8.862 -8.604 -1.701 349 H ALA 54 H ALA 54 -8.779 -10.439 -1.497 350 HA ALA 54 HA ALA 54 -9.063 -12.985 -0.299 351 HB1 ALA 54 1HB ALA 54 -11.172 -13.594 -1.507 352 HB2 ALA 54 2HB ALA 54 -11.484 -12.339 -0.284 353 HB3 ALA 54 3HB ALA 54 -11.380 -11.908 -2.003 354 H GLY 55 H GLY 55 -8.609 -14.554 -1.882 355 HA2 GLY 55 1HA GLY 55 -8.110 -15.543 -3.872 356 HA3 GLY 55 2HA GLY 55 -8.636 -14.083 -4.701 357 H SER 56 H SER 56 -6.482 -12.511 -3.033 358 HA SER 56 HA SER 56 -4.718 -12.675 -5.302 359 HB2 SER 56 1HB SER 56 -5.825 -10.653 -4.057 360 HB3 SER 56 2HB SER 56 -4.382 -10.760 -3.007 361 HG SER 56 HG SER 56 -4.571 -10.429 -5.820 362 H GLY 57 H GLY 57 -2.440 -11.630 -4.534 363 HA2 GLY 57 1HA GLY 57 -0.852 -13.877 -3.466 364 HA3 GLY 57 2HA GLY 57 -0.273 -12.469 -4.329 365 H CYS 58 H CYS 58 0.170 -10.588 -3.238 366 HA CYS 58 HA CYS 58 1.382 -9.549 -1.693 367 HB2 CYS 58 1HB CYS 58 -1.363 -9.703 -0.494 368 HB3 CYS 58 2HB CYS 58 -0.171 -8.434 -0.130 369 H ASP 59 H ASP 59 1.119 -9.275 1.163 370 HA ASP 59 HA ASP 59 1.779 -11.926 2.258 371 HB2 ASP 59 1HB ASP 59 3.755 -10.120 1.297 372 HB3 ASP 59 2HB ASP 59 3.682 -9.801 3.022 373 H MET 60 H MET 60 0.547 -12.011 4.140 374 HA MET 60 HA MET 60 -0.213 -9.465 5.475 375 HB2 MET 60 1HB MET 60 -1.391 -12.241 5.742 376 HB3 MET 60 2HB MET 60 -1.867 -10.821 6.671 377 HG2 MET 60 1HG MET 60 -2.019 -9.913 4.025 378 HG3 MET 60 2HG MET 60 -2.564 -11.575 3.922 379 HE1 MET 60 3HE MET 60 -2.902 -8.805 6.748 380 HE2 MET 60 1HE MET 60 -3.298 -7.941 5.247 381 HE3 MET 60 2HE MET 60 -4.550 -8.227 6.468 382 H GLU 61 H GLU 61 2.064 -9.362 6.091 383 HA GLU 61 HA GLU 61 3.071 -10.762 8.439 384 HB2 GLU 61 1HB GLU 61 4.549 -9.316 7.111 385 HB3 GLU 61 2HB GLU 61 3.457 -7.970 7.301 386 HG2 GLU 61 1HG GLU 61 5.320 -7.620 8.732 387 HG3 GLU 61 2HG GLU 61 3.912 -7.861 9.727 Start of MODEL 11 1 H1 TYR 1 H TYR 1 -14.238 8.474 0.762 2 HA TYR 1 HA TYR 1 -12.553 9.140 2.358 3 HB2 TYR 1 1HB TYR 1 -13.401 7.773 4.239 4 HB3 TYR 1 2HB TYR 1 -12.910 6.298 3.408 5 HD1 TYR 1 2HD TYR 1 -11.667 9.512 4.854 6 HD2 TYR 1 1HD TYR 1 -10.590 5.539 3.533 7 HE1 TYR 1 2HE TYR 1 -9.371 9.853 5.692 8 HE2 TYR 1 1HE TYR 1 -8.316 5.877 4.379 9 HH TYR 1 HH TYR 1 -7.265 8.934 5.946 10 H ASN 2 H ASN 2 -10.681 9.248 1.129 11 HA ASN 2 HA ASN 2 -9.960 6.914 -0.563 12 HB2 ASN 2 1HB ASN 2 -8.766 9.720 -0.386 13 HB3 ASN 2 2HB ASN 2 -8.184 8.426 -1.427 14 HD21 ASN 2 1HD2 ASN 2 -10.387 11.028 -1.218 15 HD22 ASN 2 2HD2 ASN 2 -11.268 10.639 -2.711 16 HA PRO 3 HA PRO 3 -6.845 6.124 2.627 17 HB2 PRO 3 1HB PRO 3 -5.104 4.550 1.037 18 HB3 PRO 3 2HB PRO 3 -6.431 3.951 2.051 19 HG2 PRO 3 1HG PRO 3 -6.352 4.214 -0.864 20 HG3 PRO 3 2HG PRO 3 -7.435 3.239 0.175 21 HD2 PRO 3 1HD PRO 3 -8.117 5.630 -1.157 22 HD3 PRO 3 2HD PRO 3 -9.061 4.788 0.112 23 H GLU 4 H GLU 4 -6.232 7.514 -0.550 24 HA GLU 4 HA GLU 4 -3.669 8.601 -0.244 25 HB2 GLU 4 1HB GLU 4 -6.195 9.738 -1.495 26 HB3 GLU 4 2HB GLU 4 -4.607 10.477 -1.679 27 HG2 GLU 4 1HG GLU 4 -3.734 8.611 -2.892 28 HG3 GLU 4 2HG GLU 4 -5.112 7.600 -2.487 29 H ASP 5 H ASP 5 -6.525 9.337 1.634 30 HA ASP 5 HA ASP 5 -5.896 12.063 2.298 31 HB2 ASP 5 1HB ASP 5 -8.104 10.615 2.378 32 HB3 ASP 5 2HB ASP 5 -7.570 10.231 4.007 33 H ASP 6 H ASP 6 -4.485 9.069 3.239 34 HA ASP 6 HA ASP 6 -2.778 10.397 5.279 35 HB2 ASP 6 1HB ASP 6 -4.493 7.961 5.699 36 HB3 ASP 6 2HB ASP 6 -2.878 7.951 6.365 37 H TYR 7 H TYR 7 -2.508 9.833 2.378 38 HA TYR 7 HA TYR 7 -0.538 7.672 2.182 39 HB2 TYR 7 1HB TYR 7 -1.618 8.089 0.175 40 HB3 TYR 7 2HB TYR 7 -1.556 9.834 0.361 41 HD1 TYR 7 1HD TYR 7 0.645 6.858 -0.327 42 HD2 TYR 7 2HD TYR 7 0.065 11.090 -0.690 43 HE1 TYR 7 1HE TYR 7 2.565 6.985 -1.900 44 HE2 TYR 7 2HE TYR 7 2.003 11.259 -2.219 45 HH TYR 7 HH TYR 7 3.733 8.334 -3.394 46 H THR 8 H THR 8 1.645 7.837 2.385 47 HA THR 8 HA THR 8 2.763 10.405 3.362 48 HB THR 8 HB THR 8 4.243 8.812 4.684 49 HG1 THR 8 1HG THR 8 3.376 6.806 5.072 50 HG21 THR 8 3HG2 THR 8 2.612 8.631 6.455 51 HG22 THR 8 1HG2 THR 8 2.357 10.170 5.637 52 HG23 THR 8 2HG2 THR 8 1.252 8.811 5.331 53 HA PRO 9 HA PRO 9 4.975 9.386 -0.521 54 HB2 PRO 9 1HB PRO 9 5.926 11.950 -1.046 55 HB3 PRO 9 2HB PRO 9 4.383 11.277 -1.628 56 HG2 PRO 9 1HG PRO 9 4.864 13.104 0.707 57 HG3 PRO 9 2HG PRO 9 3.485 13.081 -0.428 58 HD2 PRO 9 1HD PRO 9 3.355 12.025 2.093 59 HD3 PRO 9 2HD PRO 9 2.445 11.321 0.725 60 H LEU 10 H LEU 10 6.159 11.000 2.368 61 HA LEU 10 HA LEU 10 8.803 11.360 1.849 62 HB2 LEU 10 1HB LEU 10 7.456 10.593 4.478 63 HB3 LEU 10 2HB LEU 10 9.138 11.082 4.325 64 HG LEU 10 HG LEU 10 8.409 13.259 3.361 65 HD11 LEU 10 1HD1 LEU 10 5.991 13.917 3.823 66 HD12 LEU 10 2HD1 LEU 10 6.337 12.891 2.439 67 HD13 LEU 10 3HD1 LEU 10 5.642 12.184 3.945 68 HD21 LEU 10 3HD2 LEU 10 7.201 12.643 6.075 69 HD22 LEU 10 1HD2 LEU 10 8.928 12.994 5.778 70 HD23 LEU 10 2HD2 LEU 10 7.707 14.238 5.487 71 H THR 11 H THR 11 7.210 8.580 3.464 72 HA THR 11 HA THR 11 9.537 6.858 3.399 73 HB THR 11 HB THR 11 7.818 5.381 4.615 74 HG1 THR 11 1HG THR 11 5.877 6.141 4.079 75 HG21 THR 11 3HG2 THR 11 8.303 8.164 5.783 76 HG22 THR 11 1HG2 THR 11 7.887 6.700 6.686 77 HG23 THR 11 2HG2 THR 11 9.445 6.807 5.849 78 H CYS 12 H CYS 12 6.957 7.561 1.208 79 HA CYS 12 HA CYS 12 6.738 4.761 0.339 80 HB2 CYS 12 1HB CYS 12 4.729 6.152 0.836 81 HB3 CYS 12 2HB CYS 12 5.118 7.134 -0.568 82 HA PRO 13 HA PRO 13 9.594 6.107 -3.010 83 HB2 PRO 13 1HB PRO 13 9.897 3.551 -4.142 84 HB3 PRO 13 2HB PRO 13 10.869 4.239 -2.808 85 HG2 PRO 13 1HG PRO 13 8.521 2.381 -2.658 86 HG3 PRO 13 2HG PRO 13 10.051 2.340 -1.729 87 HD2 PRO 13 1HD PRO 13 7.742 3.321 -0.710 88 HD3 PRO 13 2HD PRO 13 9.333 4.046 -0.298 89 H HIS 14 H HIS 14 6.366 5.569 -3.134 90 HA HIS 14 HA HIS 14 6.197 5.177 -6.087 91 HB2 HIS 14 1HB HIS 14 4.069 4.325 -4.138 92 HB3 HIS 14 2HB HIS 14 4.289 3.799 -5.809 93 HD1 HIS 14 1HD HIS 14 6.902 2.400 -6.066 94 HD2 HIS 14 2HD HIS 14 4.610 2.364 -2.495 95 HE1 HIS 14 1HE HIS 14 7.155 0.181 -4.929 96 HE2 HIS 14 2HE HIS 14 6.085 0.283 -2.646 97 H THR 15 H THR 15 4.871 6.498 -7.111 98 HA THR 15 HA THR 15 4.217 9.022 -5.914 99 HB THR 15 HB THR 15 3.343 9.490 -8.169 100 HG1 THR 15 1HG THR 15 3.894 6.725 -8.628 101 HG21 THR 15 3HG2 THR 15 5.428 9.130 -9.435 102 HG22 THR 15 1HG2 THR 15 5.796 9.569 -7.754 103 HG23 THR 15 2HG2 THR 15 5.969 7.896 -8.290 104 H ILE 16 H ILE 16 2.117 9.956 -5.545 105 HA ILE 16 HA ILE 16 -0.026 8.319 -4.741 106 HB ILE 16 HB ILE 16 0.380 10.616 -4.042 107 HG12 ILE 16 1HG1 ILE 16 -2.392 10.340 -5.260 108 HG13 ILE 16 2HG1 ILE 16 -1.846 9.465 -3.830 109 HG21 ILE 16 1HG2 ILE 16 -0.694 11.501 -6.729 110 HG22 ILE 16 2HG2 ILE 16 -0.210 12.541 -5.371 111 HG23 ILE 16 3HG2 ILE 16 1.013 11.616 -6.231 112 HD11 ILE 16 3HD1 ILE 16 -1.492 11.582 -2.630 113 HD12 ILE 16 1HD1 ILE 16 -2.042 12.498 -4.060 114 HD13 ILE 16 2HD1 ILE 16 -3.158 11.426 -3.210 115 H SER 17 H SER 17 1.085 8.994 -7.852 116 HA SER 17 HA SER 17 -1.274 8.999 -9.420 117 HB2 SER 17 1HB SER 17 1.545 9.210 -9.801 118 HB3 SER 17 2HB SER 17 1.008 7.867 -10.805 119 HG SER 17 HG SER 17 -0.496 9.228 -11.757 120 H VAL 18 H VAL 18 0.645 6.446 -7.944 121 HA VAL 18 HA VAL 18 -1.171 4.363 -9.148 122 HB VAL 18 HB VAL 18 0.676 2.944 -9.725 123 HG11 VAL 18 1HG1 VAL 18 -0.018 4.616 -11.424 124 HG12 VAL 18 2HG1 VAL 18 1.257 5.721 -10.837 125 HG13 VAL 18 3HG1 VAL 18 1.702 4.145 -11.523 126 HG21 VAL 18 3HG2 VAL 18 2.492 5.139 -8.640 127 HG22 VAL 18 1HG2 VAL 18 2.314 3.499 -7.995 128 HG23 VAL 18 2HG2 VAL 18 3.040 3.729 -9.591 129 H VAL 19 H VAL 19 0.183 5.538 -6.262 130 HA VAL 19 HA VAL 19 1.147 3.302 -5.067 131 HB VAL 19 HB VAL 19 1.421 5.535 -4.184 132 HG11 VAL 19 1HG1 VAL 19 -1.461 5.424 -3.238 133 HG12 VAL 19 2HG1 VAL 19 -0.282 6.735 -2.989 134 HG13 VAL 19 3HG1 VAL 19 -0.891 6.377 -4.614 135 HG21 VAL 19 3HG2 VAL 19 1.246 5.075 -1.808 136 HG22 VAL 19 1HG2 VAL 19 0.142 3.727 -2.110 137 HG23 VAL 19 2HG2 VAL 19 1.818 3.636 -2.681 138 H TRP 20 H TRP 20 -2.385 4.017 -5.336 139 HA TRP 20 HA TRP 20 -3.152 1.986 -3.505 140 HB2 TRP 20 1HB TRP 20 -4.667 3.706 -4.433 141 HB3 TRP 20 2HB TRP 20 -4.612 2.929 -6.008 142 HD1 TRP 20 HD TRP 20 -6.605 1.415 -6.431 143 HE1 TRP 20 1HE TRP 20 -8.313 0.124 -5.073 144 HE3 TRP 20 3HE TRP 20 -4.733 2.342 -1.748 145 HZ2 TRP 20 2HZ TRP 20 -8.801 -0.477 -2.226 146 HZ3 TRP 20 3HZ TRP 20 -5.817 1.404 0.237 147 HH2 TRP 20 HH TRP 20 -7.883 0.009 0.018 148 H TYR 21 H TYR 21 -3.150 1.697 -7.097 149 HA TYR 21 HA TYR 21 -3.274 -1.058 -7.364 150 HB2 TYR 21 1HB TYR 21 -3.446 0.228 -9.311 151 HB3 TYR 21 2HB TYR 21 -1.998 1.166 -8.959 152 HD1 TYR 21 2HD TYR 21 -3.182 -2.232 -9.957 153 HD2 TYR 21 1HD TYR 21 0.123 0.539 -9.819 154 HE1 TYR 21 2HE TYR 21 -1.829 -3.797 -11.295 155 HE2 TYR 21 1HE TYR 21 1.492 -1.020 -11.182 156 HH TYR 21 HH TYR 21 0.346 -4.241 -12.086 157 H GLU 22 H GLU 22 -0.200 0.894 -6.970 158 HA GLU 22 HA GLU 22 1.548 -1.306 -7.397 159 HB2 GLU 22 1HB GLU 22 2.955 0.454 -7.464 160 HB3 GLU 22 2HB GLU 22 1.636 1.481 -7.011 161 HG2 GLU 22 1HG GLU 22 3.232 1.967 -5.522 162 HG3 GLU 22 2HG GLU 22 2.253 0.879 -4.568 163 H CYS 23 H CYS 23 -0.290 -0.302 -4.475 164 HA CYS 23 HA CYS 23 1.500 -1.870 -2.759 165 HB2 CYS 23 1HB CYS 23 0.682 0.647 -2.518 166 HB3 CYS 23 2HB CYS 23 -0.752 -0.075 -1.830 167 H THR 24 H THR 24 -1.426 -2.215 -4.443 168 HA THR 24 HA THR 24 -2.400 -4.156 -2.449 169 HB THR 24 HB THR 24 -4.675 -3.498 -2.922 170 HG1 THR 24 1HG THR 24 -3.610 -1.378 -4.456 171 HG21 THR 24 3HG2 THR 24 -3.555 -2.282 -1.102 172 HG22 THR 24 1HG2 THR 24 -2.952 -1.055 -2.233 173 HG23 THR 24 2HG2 THR 24 -4.694 -1.221 -1.950 174 H GLU 25 H GLU 25 -1.308 -3.845 -5.635 175 HA GLU 25 HA GLU 25 -2.748 -6.303 -6.488 176 HB2 GLU 25 1HB GLU 25 -3.556 -3.769 -7.032 177 HB3 GLU 25 2HB GLU 25 -2.419 -3.948 -8.345 178 HG2 GLU 25 1HG GLU 25 -3.655 -5.717 -9.339 179 HG3 GLU 25 2HG GLU 25 -4.509 -6.079 -7.832 180 H ASN 26 H ASN 26 0.002 -4.125 -6.937 181 HA ASN 26 HA ASN 26 1.373 -5.876 -8.865 182 HB2 ASN 26 1HB ASN 26 1.693 -3.477 -9.007 183 HB3 ASN 26 2HB ASN 26 2.210 -3.420 -7.313 184 HD21 ASN 26 1HD2 ASN 26 4.082 -2.253 -8.284 185 HD22 ASN 26 2HD2 ASN 26 5.413 -3.242 -8.860 186 H THR 27 H THR 27 1.683 -7.904 -7.887 187 HA THR 27 HA THR 27 2.216 -8.271 -5.166 188 HB THR 27 HB THR 27 2.472 -10.590 -5.674 189 HG1 THR 27 1HG THR 27 3.100 -11.263 -7.454 190 HG21 THR 27 3HG2 THR 27 0.355 -11.032 -6.781 191 HG22 THR 27 1HG2 THR 27 0.187 -9.623 -5.714 192 HG23 THR 27 2HG2 THR 27 0.310 -9.404 -7.471 193 H ALA 28 H ALA 28 4.516 -7.283 -7.480 194 HA ALA 28 HA ALA 28 6.881 -8.300 -6.272 195 HB1 ALA 28 1HB ALA 28 6.771 -7.040 -8.444 196 HB2 ALA 28 2HB ALA 28 6.445 -5.549 -7.520 197 HB3 ALA 28 3HB ALA 28 7.985 -6.412 -7.306 198 H ASN 29 H ASN 29 4.645 -5.767 -5.235 199 HA ASN 29 HA ASN 29 6.503 -5.089 -2.975 200 HB2 ASN 29 1HB ASN 29 4.577 -3.207 -4.355 201 HB3 ASN 29 2HB ASN 29 5.708 -2.807 -3.070 202 HD21 ASN 29 1HD2 ASN 29 5.415 -1.705 -5.769 203 HD22 ASN 29 2HD2 ASN 29 6.829 -2.049 -6.726 204 H CYS 30 H CYS 30 3.091 -5.490 -4.029 205 HA CYS 30 HA CYS 30 1.969 -4.148 -1.934 206 HB2 CYS 30 1HB CYS 30 -0.111 -5.134 -2.618 207 HB3 CYS 30 2HB CYS 30 0.849 -4.723 -4.035 208 H GLY 31 H GLY 31 0.369 -4.987 -0.311 209 HA2 GLY 31 1HA GLY 31 -0.220 -6.903 1.164 210 HA3 GLY 31 2HA GLY 31 1.490 -7.320 1.168 211 H THR 32 H THR 32 1.004 -7.210 3.478 212 HA THR 32 HA THR 32 0.195 -4.882 4.829 213 HB THR 32 HB THR 32 1.806 -7.273 5.789 214 HG1 THR 32 1HG THR 32 -0.521 -7.183 4.948 215 HG21 THR 32 3HG2 THR 32 2.148 -5.441 7.421 216 HG22 THR 32 1HG2 THR 32 0.391 -5.186 7.504 217 HG23 THR 32 2HG2 THR 32 1.096 -6.717 8.052 218 H ALA 33 H ALA 33 3.576 -5.846 4.044 219 HA ALA 33 HA ALA 33 4.688 -3.662 5.587 220 HB1 ALA 33 1HB ALA 33 6.808 -4.346 4.448 221 HB2 ALA 33 2HB ALA 33 5.960 -5.712 5.195 222 HB3 ALA 33 3HB ALA 33 5.887 -5.458 3.428 223 H CYS 34 H CYS 34 3.421 -3.883 2.299 224 HA CYS 34 HA CYS 34 4.768 -1.412 1.450 225 HB2 CYS 34 1HB CYS 34 3.976 -2.954 -0.238 226 HB3 CYS 34 2HB CYS 34 2.303 -2.797 0.317 227 H CYS 35 H CYS 35 1.475 -2.331 2.575 228 HA CYS 35 HA CYS 35 0.357 0.222 2.504 229 HB2 CYS 35 1HB CYS 35 -0.218 -2.112 4.368 230 HB3 CYS 35 2HB CYS 35 -1.241 -0.686 4.225 231 H ASP 36 H ASP 36 2.126 -1.331 5.199 232 HA ASP 36 HA ASP 36 1.837 0.870 7.015 233 HB2 ASP 36 1HB ASP 36 2.191 -1.652 7.405 234 HB3 ASP 36 2HB ASP 36 3.903 -1.341 7.092 235 H SER 37 H SER 37 3.742 0.745 4.264 236 HA SER 37 HA SER 37 5.668 2.738 5.364 237 HB2 SER 37 1HB SER 37 5.776 0.817 3.017 238 HB3 SER 37 2HB SER 37 6.777 2.279 3.062 239 HG SER 37 HG SER 37 7.589 1.643 5.054 240 H CYS 38 H CYS 38 2.838 2.515 3.418 241 HA CYS 38 HA CYS 38 3.525 5.088 2.059 242 HB2 CYS 38 1HB CYS 38 2.212 2.549 1.065 243 HB3 CYS 38 2HB CYS 38 2.003 4.082 0.237 244 H PHE 39 H PHE 39 1.293 3.643 4.229 245 HA PHE 39 HA PHE 39 -0.556 5.880 3.857 246 HB2 PHE 39 1HB PHE 39 -1.235 2.898 3.816 247 HB3 PHE 39 2HB PHE 39 -2.405 4.163 4.092 248 HD1 PHE 39 1HD PHE 39 -2.587 6.034 2.227 249 HD2 PHE 39 2HD PHE 39 -0.901 2.116 1.608 250 HE1 PHE 39 1HE PHE 39 -3.111 6.172 -0.195 251 HE2 PHE 39 2HE PHE 39 -1.470 2.228 -0.787 252 HZ PHE 39 HZ PHE 39 -2.606 4.249 -1.679 253 H GLU 40 H GLU 40 -1.703 6.282 5.812 254 HA GLU 40 HA GLU 40 -0.862 4.684 8.191 255 HB2 GLU 40 1HB GLU 40 -1.216 7.681 8.090 256 HB3 GLU 40 2HB GLU 40 -0.620 6.717 9.432 257 HG2 GLU 40 1HG GLU 40 1.249 5.910 7.854 258 HG3 GLU 40 2HG GLU 40 0.735 7.268 6.820 259 H LEU 41 H LEU 41 -2.258 5.016 10.015 260 HA LEU 41 HA LEU 41 -4.290 4.663 11.011 261 HB2 LEU 41 1HB LEU 41 -4.709 7.313 9.619 262 HB3 LEU 41 2HB LEU 41 -5.555 6.777 11.078 263 HG LEU 41 HG LEU 41 -2.537 7.228 10.871 264 HD11 LEU 41 1HD1 LEU 41 -2.925 9.262 12.142 265 HD12 LEU 41 2HD1 LEU 41 -3.733 9.292 10.574 266 HD13 LEU 41 3HD1 LEU 41 -4.691 9.002 12.050 267 HD21 LEU 41 3HD2 LEU 41 -3.028 5.609 12.609 268 HD22 LEU 41 1HD2 LEU 41 -2.617 7.152 13.352 269 HD23 LEU 41 2HD2 LEU 41 -4.321 6.643 13.275 270 H THR 42 H THR 42 -6.550 6.339 9.109 271 HA THR 42 HA THR 42 -8.001 3.900 8.644 272 HB THR 42 HB THR 42 -8.533 6.491 7.191 273 HG1 THR 42 1HG THR 42 -8.321 7.169 9.215 274 HG21 THR 42 3HG2 THR 42 -9.900 4.470 6.625 275 HG22 THR 42 1HG2 THR 42 -10.406 4.381 8.322 276 HG23 THR 42 2HG2 THR 42 -10.873 5.760 7.306 277 H GLY 43 H GLY 43 -5.857 5.933 6.574 278 HA2 GLY 43 1HA GLY 43 -6.501 4.720 4.096 279 HA3 GLY 43 2HA GLY 43 -5.017 5.619 4.479 280 H ASN 44 H ASN 44 -4.057 4.062 6.542 281 HA ASN 44 HA ASN 44 -2.659 1.921 5.322 282 HB2 ASN 44 1HB ASN 44 -1.871 3.008 7.340 283 HB3 ASN 44 2HB ASN 44 -3.264 2.460 8.257 284 HD21 ASN 44 1HD2 ASN 44 -0.383 1.427 6.479 285 HD22 ASN 44 2HD2 ASN 44 -0.176 -0.063 7.389 286 H THR 45 H THR 45 -5.513 1.960 7.449 287 HA THR 45 HA THR 45 -5.927 -0.816 7.529 288 HB THR 45 HB THR 45 -8.111 1.272 7.677 289 HG1 THR 45 1HG THR 45 -6.291 1.833 9.083 290 HG21 THR 45 3HG2 THR 45 -8.870 -1.091 7.790 291 HG22 THR 45 1HG2 THR 45 -7.747 -1.370 9.141 292 HG23 THR 45 2HG2 THR 45 -9.112 -0.253 9.328 293 H MET 46 H MET 46 -7.391 1.615 5.227 294 HA MET 46 HA MET 46 -8.889 -0.415 3.848 295 HB2 MET 46 1HB MET 46 -8.054 2.346 2.851 296 HB3 MET 46 2HB MET 46 -9.073 1.200 1.984 297 HG2 MET 46 1HG MET 46 -10.552 1.124 4.080 298 HG3 MET 46 2HG MET 46 -9.688 2.574 4.609 299 HE1 MET 46 3HE MET 46 -12.848 2.252 4.202 300 HE2 MET 46 1HE MET 46 -12.085 3.752 4.775 301 HE3 MET 46 2HE MET 46 -13.252 3.801 3.431 302 H CYS 47 H CYS 47 -5.575 0.861 3.335 303 HA CYS 47 HA CYS 47 -5.039 -0.561 0.913 304 HB2 CYS 47 1HB CYS 47 -3.611 1.220 1.815 305 HB3 CYS 47 2HB CYS 47 -3.179 0.213 3.192 306 H LEU 48 H LEU 48 -4.566 -1.506 4.357 307 HA LEU 48 HA LEU 48 -3.639 -4.118 3.858 308 HB2 LEU 48 1HB LEU 48 -5.188 -2.877 6.168 309 HB3 LEU 48 2HB LEU 48 -4.656 -4.543 6.188 310 HG LEU 48 HG LEU 48 -2.763 -2.173 5.825 311 HD11 LEU 48 1HD1 LEU 48 -2.122 -2.491 8.151 312 HD12 LEU 48 2HD1 LEU 48 -3.831 -2.097 8.051 313 HD13 LEU 48 3HD1 LEU 48 -3.298 -3.796 8.344 314 HD21 LEU 48 3HD2 LEU 48 -1.860 -4.287 4.950 315 HD22 LEU 48 1HD2 LEU 48 -1.008 -3.755 6.402 316 HD23 LEU 48 2HD2 LEU 48 -2.187 -5.085 6.505 317 H LEU 49 H LEU 49 -6.984 -2.942 4.265 318 HA LEU 49 HA LEU 49 -8.311 -5.368 3.931 319 HB2 LEU 49 1HB LEU 49 -9.078 -2.633 3.889 320 HB3 LEU 49 2HB LEU 49 -9.632 -3.271 2.358 321 HG LEU 49 HG LEU 49 -10.579 -5.266 3.844 322 HD11 LEU 49 1HD1 LEU 49 -11.268 -4.471 6.083 323 HD12 LEU 49 2HD1 LEU 49 -9.498 -4.461 5.944 324 HD13 LEU 49 3HD1 LEU 49 -10.404 -2.942 5.836 325 HD21 LEU 49 3HD2 LEU 49 -12.697 -4.063 4.120 326 HD22 LEU 49 1HD2 LEU 49 -11.886 -2.512 3.818 327 HD23 LEU 49 2HD2 LEU 49 -11.992 -3.756 2.534 328 H GLN 50 H GLN 50 -7.389 -3.161 1.177 329 HA GLN 50 HA GLN 50 -8.326 -5.036 -0.792 330 HB2 GLN 50 1HB GLN 50 -8.103 -2.507 -1.013 331 HB3 GLN 50 2HB GLN 50 -6.363 -2.729 -1.120 332 HG2 GLN 50 1HG GLN 50 -7.046 -2.554 -3.353 333 HG3 GLN 50 2HG GLN 50 -6.873 -4.294 -3.155 334 HE21 GLN 50 1HE2 GLN 50 -8.739 -5.582 -3.659 335 HE22 GLN 50 2HE2 GLN 50 -10.308 -4.901 -3.907 336 H ALA 51 H ALA 51 -4.984 -4.272 0.379 337 HA ALA 51 HA ALA 51 -3.703 -6.033 -1.490 338 HB1 ALA 51 1HB ALA 51 -2.749 -5.180 1.293 339 HB2 ALA 51 2HB ALA 51 -1.764 -5.791 -0.057 340 HB3 ALA 51 3HB ALA 51 -2.549 -4.208 -0.175 341 H GLY 52 H GLY 52 -4.851 -6.452 1.882 342 HA2 GLY 52 1HA GLY 52 -4.065 -9.231 2.077 343 HA3 GLY 52 2HA GLY 52 -4.937 -8.242 3.267 344 H ALA 53 H ALA 53 -5.729 -8.838 -0.115 345 HA ALA 53 HA ALA 53 -8.447 -9.768 0.284 346 HB1 ALA 53 1HB ALA 53 -7.691 -8.410 -1.631 347 HB2 ALA 53 2HB ALA 53 -6.533 -9.717 -2.060 348 HB3 ALA 53 3HB ALA 53 -8.294 -9.979 -2.179 349 H ALA 54 H ALA 54 -6.240 -11.307 1.442 350 HA ALA 54 HA ALA 54 -5.582 -13.277 2.039 351 HB1 ALA 54 1HB ALA 54 -6.514 -15.326 1.291 352 HB2 ALA 54 2HB ALA 54 -7.817 -14.131 1.516 353 HB3 ALA 54 3HB ALA 54 -7.259 -14.541 -0.128 354 H GLY 55 H GLY 55 -4.211 -14.954 1.257 355 HA2 GLY 55 1HA GLY 55 -2.031 -13.979 -0.280 356 HA3 GLY 55 2HA GLY 55 -2.191 -15.601 0.376 357 H SER 56 H SER 56 -4.335 -14.038 -2.037 358 HA SER 56 HA SER 56 -3.822 -16.084 -4.065 359 HB2 SER 56 1HB SER 56 -5.413 -13.486 -4.148 360 HB3 SER 56 2HB SER 56 -5.510 -14.830 -5.307 361 HG SER 56 HG SER 56 -7.169 -14.728 -3.581 362 H GLY 57 H GLY 57 -3.368 -12.486 -3.653 363 HA2 GLY 57 1HA GLY 57 -1.228 -12.567 -5.709 364 HA3 GLY 57 2HA GLY 57 -2.190 -11.180 -5.228 365 H CYS 58 H CYS 58 -1.782 -10.188 -3.180 366 HA CYS 58 HA CYS 58 0.983 -9.899 -2.491 367 HB2 CYS 58 1HB CYS 58 -1.419 -9.008 -0.871 368 HB3 CYS 58 2HB CYS 58 0.166 -8.264 -0.950 369 H ASP 59 H ASP 59 1.341 -9.758 0.080 370 HA ASP 59 HA ASP 59 0.317 -12.206 1.455 371 HB2 ASP 59 1HB ASP 59 2.668 -12.505 1.083 372 HB3 ASP 59 2HB ASP 59 3.009 -10.835 1.556 373 H MET 60 H MET 60 -0.636 -11.834 3.455 374 HA MET 60 HA MET 60 -0.155 -9.277 4.748 375 HB2 MET 60 1HB MET 60 -2.437 -8.876 5.299 376 HB3 MET 60 2HB MET 60 -2.375 -9.096 3.554 377 HG2 MET 60 1HG MET 60 -3.209 -11.197 5.609 378 HG3 MET 60 2HG MET 60 -4.314 -10.206 4.688 379 HE1 MET 60 3HE MET 60 -3.988 -14.260 3.679 380 HE2 MET 60 1HE MET 60 -3.346 -13.503 5.154 381 HE3 MET 60 2HE MET 60 -5.014 -13.175 4.644 382 H GLU 61 H GLU 61 -0.812 -9.348 7.029 383 HA GLU 61 HA GLU 61 -0.367 -12.016 8.279 384 HB2 GLU 61 1HB GLU 61 0.300 -9.151 9.073 385 HB3 GLU 61 2HB GLU 61 0.320 -10.488 10.237 386 HG2 GLU 61 1HG GLU 61 2.044 -10.327 7.715 387 HG3 GLU 61 2HG GLU 61 2.558 -9.849 9.328 Start of MODEL 12 1 H1 TYR 1 H TYR 1 -13.997 8.221 1.919 2 HA TYR 1 HA TYR 1 -12.543 9.601 4.073 3 HB2 TYR 1 1HB TYR 1 -13.098 7.499 5.002 4 HB3 TYR 1 2HB TYR 1 -12.701 6.636 3.503 5 HD1 TYR 1 1HD TYR 1 -10.968 9.226 5.688 6 HD2 TYR 1 2HD TYR 1 -10.642 5.395 3.646 7 HE1 TYR 1 1HE TYR 1 -8.538 9.303 5.905 8 HE2 TYR 1 2HE TYR 1 -8.235 5.463 3.955 9 HH TYR 1 HH TYR 1 -6.487 8.137 5.552 10 H ASN 2 H ASN 2 -11.768 7.340 1.333 11 HA ASN 2 HA ASN 2 -10.238 7.386 -0.261 12 HB2 ASN 2 1HB ASN 2 -10.587 10.254 0.093 13 HB3 ASN 2 2HB ASN 2 -8.929 9.884 -0.223 14 HD21 ASN 2 1HD2 ASN 2 -8.929 10.839 -2.246 15 HD22 ASN 2 2HD2 ASN 2 -9.822 10.171 -3.598 16 HA PRO 3 HA PRO 3 -6.888 6.435 2.595 17 HB2 PRO 3 1HB PRO 3 -5.356 5.115 0.579 18 HB3 PRO 3 2HB PRO 3 -6.392 4.398 1.862 19 HG2 PRO 3 1HG PRO 3 -6.913 4.646 -1.031 20 HG3 PRO 3 2HG PRO 3 -7.750 3.658 0.188 21 HD2 PRO 3 1HD PRO 3 -8.751 5.997 -0.956 22 HD3 PRO 3 2HD PRO 3 -9.337 5.168 0.514 23 H GLU 4 H GLU 4 -6.546 8.039 -0.510 24 HA GLU 4 HA GLU 4 -3.869 8.882 -0.263 25 HB2 GLU 4 1HB GLU 4 -6.294 9.974 -1.754 26 HB3 GLU 4 2HB GLU 4 -4.670 10.626 -1.958 27 HG2 GLU 4 1HG GLU 4 -3.812 8.543 -2.818 28 HG3 GLU 4 2HG GLU 4 -5.254 7.656 -2.323 29 H ASP 5 H ASP 5 -6.558 9.899 1.726 30 HA ASP 5 HA ASP 5 -5.556 12.529 2.404 31 HB2 ASP 5 1HB ASP 5 -7.707 10.796 3.258 32 HB3 ASP 5 2HB ASP 5 -6.815 11.275 4.675 33 H ASP 6 H ASP 6 -4.553 9.253 3.233 34 HA ASP 6 HA ASP 6 -2.594 10.224 5.306 35 HB2 ASP 6 1HB ASP 6 -4.167 7.640 5.205 36 HB3 ASP 6 2HB ASP 6 -2.796 7.947 6.260 37 H TYR 7 H TYR 7 -2.468 9.872 2.287 38 HA TYR 7 HA TYR 7 -0.516 7.784 1.784 39 HB2 TYR 7 1HB TYR 7 -1.678 8.613 -0.083 40 HB3 TYR 7 2HB TYR 7 -1.386 10.300 0.348 41 HD1 TYR 7 2HD TYR 7 0.605 7.185 -0.424 42 HD2 TYR 7 1HD TYR 7 0.217 11.459 -0.890 43 HE1 TYR 7 2HE TYR 7 2.574 7.205 -1.936 44 HE2 TYR 7 1HE TYR 7 2.203 11.498 -2.324 45 HH TYR 7 HH TYR 7 3.962 8.484 -3.289 46 H THR 8 H THR 8 1.652 7.830 2.353 47 HA THR 8 HA THR 8 2.798 10.385 3.367 48 HB THR 8 HB THR 8 4.239 8.784 4.718 49 HG1 THR 8 1HG THR 8 3.231 6.769 5.103 50 HG21 THR 8 3HG2 THR 8 1.233 8.726 5.270 51 HG22 THR 8 1HG2 THR 8 2.563 8.604 6.450 52 HG23 THR 8 2HG2 THR 8 2.295 10.117 5.597 53 HA PRO 9 HA PRO 9 5.126 9.471 -0.494 54 HB2 PRO 9 1HB PRO 9 6.068 12.065 -0.929 55 HB3 PRO 9 2HB PRO 9 4.523 11.408 -1.539 56 HG2 PRO 9 1HG PRO 9 5.029 13.095 0.917 57 HG3 PRO 9 2HG PRO 9 3.702 13.219 -0.269 58 HD2 PRO 9 1HD PRO 9 3.376 12.009 2.147 59 HD3 PRO 9 2HD PRO 9 2.548 11.386 0.691 60 H LEU 10 H LEU 10 6.227 11.320 2.384 61 HA LEU 10 HA LEU 10 8.887 11.419 2.158 62 HB2 LEU 10 1HB LEU 10 7.125 10.712 4.542 63 HB3 LEU 10 2HB LEU 10 8.869 10.871 4.678 64 HG LEU 10 HG LEU 10 8.710 13.162 3.678 65 HD11 LEU 10 1HD1 LEU 10 6.499 14.346 3.924 66 HD12 LEU 10 2HD1 LEU 10 6.620 13.226 2.582 67 HD13 LEU 10 3HD1 LEU 10 5.724 12.757 4.063 68 HD21 LEU 10 3HD2 LEU 10 7.176 12.763 6.286 69 HD22 LEU 10 1HD2 LEU 10 8.944 12.751 6.128 70 HD23 LEU 10 2HD2 LEU 10 8.043 14.231 5.780 71 H THR 11 H THR 11 7.097 8.511 3.442 72 HA THR 11 HA THR 11 9.526 6.904 3.336 73 HB THR 11 HB THR 11 7.782 5.295 4.449 74 HG1 THR 11 1HG THR 11 5.879 6.261 4.121 75 HG21 THR 11 3HG2 THR 11 8.069 6.467 6.614 76 HG22 THR 11 1HG2 THR 11 9.566 6.418 5.678 77 HG23 THR 11 2HG2 THR 11 8.631 7.919 5.744 78 H CYS 12 H CYS 12 7.003 7.585 1.139 79 HA CYS 12 HA CYS 12 6.716 4.814 0.300 80 HB2 CYS 12 1HB CYS 12 4.807 6.367 0.676 81 HB3 CYS 12 2HB CYS 12 5.288 7.241 -0.772 82 HA PRO 13 HA PRO 13 9.504 5.643 -3.237 83 HB2 PRO 13 1HB PRO 13 9.735 3.032 -4.106 84 HB3 PRO 13 2HB PRO 13 10.657 3.726 -2.762 85 HG2 PRO 13 1HG PRO 13 8.268 1.932 -2.698 86 HG3 PRO 13 2HG PRO 13 9.660 2.017 -1.565 87 HD2 PRO 13 1HD PRO 13 7.117 3.144 -1.161 88 HD3 PRO 13 2HD PRO 13 8.601 3.566 -0.274 89 H HIS 14 H HIS 14 6.354 5.594 -3.249 90 HA HIS 14 HA HIS 14 5.969 4.969 -6.129 91 HB2 HIS 14 1HB HIS 14 3.835 4.277 -4.117 92 HB3 HIS 14 2HB HIS 14 4.046 3.667 -5.765 93 HD1 HIS 14 1HD HIS 14 6.356 1.993 -6.020 94 HD2 HIS 14 2HD HIS 14 4.301 2.397 -2.384 95 HE1 HIS 14 1HE HIS 14 6.682 -0.086 -4.762 96 HE2 HIS 14 2HE HIS 14 5.708 0.241 -2.384 97 H THR 15 H THR 15 4.665 6.444 -7.159 98 HA THR 15 HA THR 15 4.312 8.953 -5.799 99 HB THR 15 HB THR 15 3.704 9.694 -8.041 100 HG1 THR 15 1HG THR 15 4.144 7.566 -9.533 101 HG21 THR 15 3HG2 THR 15 6.150 9.171 -7.395 102 HG22 THR 15 1HG2 THR 15 6.008 7.702 -8.342 103 HG23 THR 15 2HG2 THR 15 5.805 9.281 -9.135 104 H ILE 16 H ILE 16 2.183 10.103 -5.708 105 HA ILE 16 HA ILE 16 0.147 8.480 -4.656 106 HB ILE 16 HB ILE 16 0.479 10.860 -4.165 107 HG12 ILE 16 1HG1 ILE 16 -2.349 10.203 -5.093 108 HG13 ILE 16 2HG1 ILE 16 -1.628 9.631 -3.599 109 HG21 ILE 16 1HG2 ILE 16 0.786 11.625 -6.586 110 HG22 ILE 16 2HG2 ILE 16 -0.996 11.531 -6.732 111 HG23 ILE 16 3HG2 ILE 16 -0.238 12.632 -5.578 112 HD11 ILE 16 3HD1 ILE 16 -1.417 11.924 -2.772 113 HD12 ILE 16 1HD1 ILE 16 -2.112 12.560 -4.297 114 HD13 ILE 16 2HD1 ILE 16 -3.081 11.536 -3.231 115 H SER 17 H SER 17 0.918 9.096 -7.931 116 HA SER 17 HA SER 17 -1.587 8.645 -9.229 117 HB2 SER 17 1HB SER 17 0.526 9.662 -10.201 118 HB3 SER 17 2HB SER 17 1.258 8.064 -10.143 119 HG SER 17 HG SER 17 -1.204 8.317 -11.467 120 H VAL 18 H VAL 18 1.039 6.539 -8.029 121 HA VAL 18 HA VAL 18 -0.525 4.119 -8.735 122 HB VAL 18 HB VAL 18 1.334 3.086 -9.743 123 HG11 VAL 18 1HG1 VAL 18 1.595 4.324 -11.782 124 HG12 VAL 18 2HG1 VAL 18 -0.051 4.576 -11.196 125 HG13 VAL 18 3HG1 VAL 18 1.174 5.858 -11.003 126 HG21 VAL 18 3HG2 VAL 18 3.402 4.884 -10.139 127 HG22 VAL 18 1HG2 VAL 18 2.837 5.310 -8.490 128 HG23 VAL 18 2HG2 VAL 18 3.298 3.650 -8.833 129 H VAL 19 H VAL 19 -0.532 5.198 -6.233 130 HA VAL 19 HA VAL 19 1.383 3.447 -4.755 131 HB VAL 19 HB VAL 19 1.432 5.659 -4.075 132 HG11 VAL 19 1HG1 VAL 19 -1.508 5.523 -3.209 133 HG12 VAL 19 2HG1 VAL 19 -0.410 6.869 -2.942 134 HG13 VAL 19 3HG1 VAL 19 -0.895 6.444 -4.581 135 HG21 VAL 19 3HG2 VAL 19 0.185 3.936 -1.922 136 HG22 VAL 19 1HG2 VAL 19 1.868 3.922 -2.433 137 HG23 VAL 19 2HG2 VAL 19 1.197 5.360 -1.659 138 H TRP 20 H TRP 20 -2.219 3.976 -4.755 139 HA TRP 20 HA TRP 20 -2.889 1.990 -2.941 140 HB2 TRP 20 1HB TRP 20 -4.473 3.583 -3.733 141 HB3 TRP 20 2HB TRP 20 -4.337 3.015 -5.384 142 HD1 TRP 20 HD TRP 20 -5.853 0.981 -6.088 143 HE1 TRP 20 1HE TRP 20 -7.639 -0.431 -4.947 144 HE3 TRP 20 3HE TRP 20 -5.027 2.484 -1.293 145 HZ2 TRP 20 2HZ TRP 20 -8.740 -0.712 -2.225 146 HZ3 TRP 20 3HZ TRP 20 -6.434 1.642 0.550 147 HH2 TRP 20 HH TRP 20 -8.385 0.173 0.085 148 H TYR 21 H TYR 21 -3.284 1.479 -6.459 149 HA TYR 21 HA TYR 21 -3.519 -1.291 -6.413 150 HB2 TYR 21 1HB TYR 21 -4.086 -0.543 -8.437 151 HB3 TYR 21 2HB TYR 21 -2.957 0.783 -8.444 152 HD1 TYR 21 1HD TYR 21 -0.525 0.421 -9.085 153 HD2 TYR 21 2HD TYR 21 -3.542 -2.615 -9.519 154 HE1 TYR 21 1HE TYR 21 1.061 -0.957 -10.408 155 HE2 TYR 21 2HE TYR 21 -2.024 -3.974 -10.862 156 HH TYR 21 HH TYR 21 0.191 -4.259 -11.455 157 H GLU 22 H GLU 22 -0.419 0.653 -6.348 158 HA GLU 22 HA GLU 22 1.228 -1.522 -7.163 159 HB2 GLU 22 1HB GLU 22 2.542 0.370 -7.372 160 HB3 GLU 22 2HB GLU 22 1.267 1.244 -6.588 161 HG2 GLU 22 1HG GLU 22 3.235 1.653 -5.521 162 HG3 GLU 22 2HG GLU 22 2.355 0.675 -4.357 163 H CYS 23 H CYS 23 -0.209 -0.498 -3.984 164 HA CYS 23 HA CYS 23 1.563 -2.417 -2.633 165 HB2 CYS 23 1HB CYS 23 -0.002 -0.051 -1.625 166 HB3 CYS 23 2HB CYS 23 0.572 -1.326 -0.544 167 H THR 24 H THR 24 -1.478 -2.405 -4.103 168 HA THR 24 HA THR 24 -2.460 -4.353 -2.121 169 HB THR 24 HB THR 24 -4.708 -3.728 -2.765 170 HG1 THR 24 1HG THR 24 -4.336 -3.025 -4.848 171 HG21 THR 24 3HG2 THR 24 -3.023 -1.319 -1.935 172 HG22 THR 24 1HG2 THR 24 -4.780 -1.441 -1.796 173 HG23 THR 24 2HG2 THR 24 -3.730 -2.544 -0.881 174 H GLU 25 H GLU 25 -1.272 -4.112 -5.293 175 HA GLU 25 HA GLU 25 -2.720 -6.540 -6.185 176 HB2 GLU 25 1HB GLU 25 -3.764 -4.111 -6.588 177 HB3 GLU 25 2HB GLU 25 -2.571 -4.003 -7.847 178 HG2 GLU 25 1HG GLU 25 -3.630 -5.498 -9.215 179 HG3 GLU 25 2HG GLU 25 -4.192 -6.499 -7.870 180 H ASN 26 H ASN 26 -0.186 -4.089 -6.812 181 HA ASN 26 HA ASN 26 1.169 -5.686 -8.828 182 HB2 ASN 26 1HB ASN 26 1.406 -3.251 -8.788 183 HB3 ASN 26 2HB ASN 26 2.173 -3.377 -7.193 184 HD21 ASN 26 1HD2 ASN 26 4.030 -2.350 -7.973 185 HD22 ASN 26 2HD2 ASN 26 5.153 -3.205 -9.060 186 H THR 27 H THR 27 1.531 -7.655 -8.006 187 HA THR 27 HA THR 27 2.510 -8.353 -5.450 188 HB THR 27 HB THR 27 2.904 -10.560 -6.536 189 HG1 THR 27 1HG THR 27 1.957 -9.192 -8.878 190 HG21 THR 27 3HG2 THR 27 0.213 -9.334 -7.329 191 HG22 THR 27 1HG2 THR 27 0.582 -11.013 -6.909 192 HG23 THR 27 2HG2 THR 27 0.645 -9.745 -5.671 193 H ALA 28 H ALA 28 4.297 -6.717 -7.778 194 HA ALA 28 HA ALA 28 6.939 -7.764 -7.291 195 HB1 ALA 28 1HB ALA 28 6.389 -6.116 -9.093 196 HB2 ALA 28 2HB ALA 28 5.981 -4.926 -7.821 197 HB3 ALA 28 3HB ALA 28 7.635 -5.489 -7.979 198 H ASN 29 H ASN 29 4.661 -5.831 -5.320 199 HA ASN 29 HA ASN 29 6.698 -5.836 -3.181 200 HB2 ASN 29 1HB ASN 29 5.071 -3.309 -3.554 201 HB3 ASN 29 2HB ASN 29 6.551 -3.568 -2.670 202 HD21 ASN 29 1HD2 ASN 29 5.230 -2.151 -5.395 203 HD22 ASN 29 2HD2 ASN 29 6.522 -2.258 -6.552 204 H CYS 30 H CYS 30 3.556 -4.276 -3.389 205 HA CYS 30 HA CYS 30 1.985 -4.165 -1.822 206 HB2 CYS 30 1HB CYS 30 0.199 -5.618 -2.339 207 HB3 CYS 30 2HB CYS 30 1.080 -5.180 -3.791 208 H GLY 31 H GLY 31 0.390 -5.761 -0.362 209 HA2 GLY 31 1HA GLY 31 0.279 -7.070 1.576 210 HA3 GLY 31 2HA GLY 31 2.024 -7.286 1.552 211 H THR 32 H THR 32 1.088 -6.888 3.934 212 HA THR 32 HA THR 32 0.207 -4.505 4.816 213 HB THR 32 HB THR 32 1.985 -6.507 6.248 214 HG1 THR 32 1HG THR 32 -0.427 -6.690 7.072 215 HG21 THR 32 3HG2 THR 32 1.850 -4.274 7.489 216 HG22 THR 32 1HG2 THR 32 0.100 -4.509 7.547 217 HG23 THR 32 2HG2 THR 32 1.178 -5.659 8.338 218 H ALA 33 H ALA 33 3.763 -5.177 4.468 219 HA ALA 33 HA ALA 33 4.364 -2.683 5.864 220 HB1 ALA 33 1HB ALA 33 6.685 -3.127 5.297 221 HB2 ALA 33 2HB ALA 33 5.918 -4.634 5.888 222 HB3 ALA 33 3HB ALA 33 6.189 -4.372 4.154 223 H CYS 34 H CYS 34 3.984 -3.642 2.480 224 HA CYS 34 HA CYS 34 4.952 -1.234 1.282 225 HB2 CYS 34 1HB CYS 34 4.261 -3.372 0.099 226 HB3 CYS 34 2HB CYS 34 2.584 -2.858 0.297 227 H CYS 35 H CYS 35 1.710 -2.189 2.502 228 HA CYS 35 HA CYS 35 0.417 0.314 2.144 229 HB2 CYS 35 1HB CYS 35 -0.053 -1.712 4.361 230 HB3 CYS 35 2HB CYS 35 -1.093 -0.384 3.947 231 H ASP 36 H ASP 36 2.160 -0.954 5.068 232 HA ASP 36 HA ASP 36 1.615 1.338 6.613 233 HB2 ASP 36 1HB ASP 36 2.262 -1.055 7.303 234 HB3 ASP 36 2HB ASP 36 3.923 -0.577 7.076 235 H SER 37 H SER 37 4.331 0.717 4.546 236 HA SER 37 HA SER 37 5.823 3.102 5.335 237 HB2 SER 37 1HB SER 37 5.927 1.272 2.906 238 HB3 SER 37 2HB SER 37 7.052 2.611 3.177 239 HG SER 37 HG SER 37 6.697 0.433 4.999 240 H CYS 38 H CYS 38 2.930 2.798 3.451 241 HA CYS 38 HA CYS 38 3.529 5.353 2.001 242 HB2 CYS 38 1HB CYS 38 2.268 2.755 1.086 243 HB3 CYS 38 2HB CYS 38 2.049 4.258 0.221 244 H PHE 39 H PHE 39 1.285 3.696 4.051 245 HA PHE 39 HA PHE 39 -0.673 5.844 3.809 246 HB2 PHE 39 1HB PHE 39 -1.245 2.869 3.516 247 HB3 PHE 39 2HB PHE 39 -2.452 4.090 3.788 248 HD1 PHE 39 1HD PHE 39 -2.515 6.089 1.988 249 HD2 PHE 39 2HD PHE 39 -0.925 2.127 1.305 250 HE1 PHE 39 1HE PHE 39 -3.134 6.248 -0.392 251 HE2 PHE 39 2HE PHE 39 -1.581 2.264 -1.057 252 HZ PHE 39 HZ PHE 39 -2.751 4.298 -1.895 253 H GLU 40 H GLU 40 -1.463 6.243 5.775 254 HA GLU 40 HA GLU 40 -0.814 4.343 7.989 255 HB2 GLU 40 1HB GLU 40 -0.945 7.361 8.120 256 HB3 GLU 40 2HB GLU 40 -0.349 6.282 9.370 257 HG2 GLU 40 1HG GLU 40 1.339 5.497 7.447 258 HG3 GLU 40 2HG GLU 40 0.946 7.113 6.837 259 H LEU 41 H LEU 41 -2.127 4.697 9.918 260 HA LEU 41 HA LEU 41 -4.151 4.576 10.990 261 HB2 LEU 41 1HB LEU 41 -4.582 7.185 9.474 262 HB3 LEU 41 2HB LEU 41 -5.354 6.711 10.991 263 HG LEU 41 HG LEU 41 -2.343 7.155 10.603 264 HD11 LEU 41 1HD1 LEU 41 -2.661 9.190 11.914 265 HD12 LEU 41 2HD1 LEU 41 -3.519 9.231 10.377 266 HD13 LEU 41 3HD1 LEU 41 -4.431 8.941 11.876 267 HD21 LEU 41 3HD2 LEU 41 -3.967 6.572 13.114 268 HD22 LEU 41 1HD2 LEU 41 -2.708 5.557 12.399 269 HD23 LEU 41 2HD2 LEU 41 -2.256 7.102 13.094 270 H THR 42 H THR 42 -6.517 6.103 9.215 271 HA THR 42 HA THR 42 -7.844 3.695 8.599 272 HB THR 42 HB THR 42 -8.426 6.267 7.148 273 HG1 THR 42 1HG THR 42 -9.657 6.872 8.973 274 HG21 THR 42 3HG2 THR 42 -10.242 4.207 8.465 275 HG22 THR 42 1HG2 THR 42 -10.759 5.568 7.447 276 HG23 THR 42 2HG2 THR 42 -9.850 4.251 6.742 277 H GLY 43 H GLY 43 -5.566 5.630 6.674 278 HA2 GLY 43 1HA GLY 43 -6.252 4.659 4.072 279 HA3 GLY 43 2HA GLY 43 -4.749 5.458 4.580 280 H ASN 44 H ASN 44 -4.071 3.693 6.680 281 HA ASN 44 HA ASN 44 -2.807 1.538 5.300 282 HB2 ASN 44 1HB ASN 44 -2.063 2.547 7.511 283 HB3 ASN 44 2HB ASN 44 -3.318 1.617 8.297 284 HD21 ASN 44 1HD2 ASN 44 -0.453 1.492 6.329 285 HD22 ASN 44 2HD2 ASN 44 0.021 -0.137 6.799 286 H THR 45 H THR 45 -5.655 1.617 7.555 287 HA THR 45 HA THR 45 -6.352 -1.044 7.422 288 HB THR 45 HB THR 45 -8.553 0.987 7.430 289 HG1 THR 45 1HG THR 45 -6.562 0.925 9.467 290 HG21 THR 45 3HG2 THR 45 -8.998 -1.365 8.063 291 HG22 THR 45 1HG2 THR 45 -7.831 -1.216 9.396 292 HG23 THR 45 2HG2 THR 45 -9.315 -0.237 9.401 293 H MET 46 H MET 46 -7.248 1.513 5.124 294 HA MET 46 HA MET 46 -9.047 -0.140 3.576 295 HB2 MET 46 1HB MET 46 -7.761 2.532 2.790 296 HB3 MET 46 2HB MET 46 -8.950 1.633 1.870 297 HG2 MET 46 1HG MET 46 -9.709 1.988 4.677 298 HG3 MET 46 2HG MET 46 -9.361 3.509 3.897 299 HE1 MET 46 3HE MET 46 -10.449 2.914 0.848 300 HE2 MET 46 1HE MET 46 -12.163 3.370 0.949 301 HE3 MET 46 2HE MET 46 -10.923 4.431 1.660 302 H CYS 47 H CYS 47 -5.551 0.737 3.107 303 HA CYS 47 HA CYS 47 -5.168 -0.718 0.700 304 HB2 CYS 47 1HB CYS 47 -3.561 0.857 1.519 305 HB3 CYS 47 2HB CYS 47 -3.277 -0.042 2.971 306 H LEU 48 H LEU 48 -4.703 -1.732 4.128 307 HA LEU 48 HA LEU 48 -3.875 -4.350 3.684 308 HB2 LEU 48 1HB LEU 48 -5.624 -3.191 5.887 309 HB3 LEU 48 2HB LEU 48 -4.950 -4.803 5.898 310 HG LEU 48 HG LEU 48 -3.362 -2.223 5.988 311 HD11 LEU 48 1HD1 LEU 48 -2.793 -3.007 8.249 312 HD12 LEU 48 2HD1 LEU 48 -4.538 -2.801 8.064 313 HD13 LEU 48 3HD1 LEU 48 -3.816 -4.439 8.026 314 HD21 LEU 48 3HD2 LEU 48 -2.281 -5.055 6.074 315 HD22 LEU 48 1HD2 LEU 48 -2.072 -3.900 4.729 316 HD23 LEU 48 2HD2 LEU 48 -1.379 -3.531 6.291 317 H LEU 49 H LEU 49 -7.212 -3.111 3.977 318 HA LEU 49 HA LEU 49 -8.556 -5.559 3.680 319 HB2 LEU 49 1HB LEU 49 -9.312 -2.741 3.659 320 HB3 LEU 49 2HB LEU 49 -10.059 -3.511 2.282 321 HG LEU 49 HG LEU 49 -10.723 -5.423 3.994 322 HD11 LEU 49 1HD1 LEU 49 -11.060 -4.565 6.258 323 HD12 LEU 49 2HD1 LEU 49 -9.342 -4.396 5.832 324 HD13 LEU 49 3HD1 LEU 49 -10.372 -2.977 5.804 325 HD21 LEU 49 3HD2 LEU 49 -12.327 -3.995 2.800 326 HD22 LEU 49 1HD2 LEU 49 -12.820 -4.294 4.475 327 HD23 LEU 49 2HD2 LEU 49 -12.098 -2.727 4.023 328 H GLN 50 H GLN 50 -7.225 -3.439 1.091 329 HA GLN 50 HA GLN 50 -8.556 -5.036 -0.937 330 HB2 GLN 50 1HB GLN 50 -8.126 -2.604 -1.146 331 HB3 GLN 50 2HB GLN 50 -6.401 -2.932 -1.252 332 HG2 GLN 50 1HG GLN 50 -7.324 -2.654 -3.507 333 HG3 GLN 50 2HG GLN 50 -6.846 -4.336 -3.318 334 HE21 GLN 50 1HE2 GLN 50 -8.493 -5.974 -3.479 335 HE22 GLN 50 2HE2 GLN 50 -10.201 -5.621 -3.443 336 H ALA 51 H ALA 51 -5.160 -4.618 0.202 337 HA ALA 51 HA ALA 51 -3.914 -6.418 -1.573 338 HB1 ALA 51 1HB ALA 51 -2.699 -4.879 -0.023 339 HB2 ALA 51 2HB ALA 51 -3.228 -5.853 1.353 340 HB3 ALA 51 3HB ALA 51 -2.145 -6.558 0.137 341 H GLY 52 H GLY 52 -5.179 -7.051 1.721 342 HA2 GLY 52 1HA GLY 52 -4.797 -9.932 1.434 343 HA3 GLY 52 2HA GLY 52 -5.322 -9.044 2.866 344 H ALA 53 H ALA 53 -7.098 -8.295 -0.051 345 HA ALA 53 HA ALA 53 -9.564 -8.749 1.093 346 HB1 ALA 53 1HB ALA 53 -9.270 -7.433 -0.962 347 HB2 ALA 53 2HB ALA 53 -8.873 -8.907 -1.874 348 HB3 ALA 53 3HB ALA 53 -10.500 -8.678 -1.193 349 H ALA 54 H ALA 54 -8.144 -10.919 -1.403 350 HA ALA 54 HA ALA 54 -8.854 -13.271 0.079 351 HB1 ALA 54 1HB ALA 54 -10.165 -14.317 -1.711 352 HB2 ALA 54 2HB ALA 54 -10.961 -12.823 -1.161 353 HB3 ALA 54 3HB ALA 54 -10.045 -12.830 -2.680 354 H GLY 55 H GLY 55 -6.464 -12.542 -0.099 355 HA2 GLY 55 1HA GLY 55 -4.401 -13.433 -0.620 356 HA3 GLY 55 2HA GLY 55 -5.104 -14.359 -1.950 357 H SER 56 H SER 56 -6.225 -12.424 -3.587 358 HA SER 56 HA SER 56 -5.580 -11.437 -5.486 359 HB2 SER 56 1HB SER 56 -5.563 -9.396 -4.096 360 HB3 SER 56 2HB SER 56 -3.872 -9.670 -3.685 361 HG SER 56 HG SER 56 -4.994 -8.657 -5.995 362 H GLY 57 H GLY 57 -2.329 -10.703 -4.447 363 HA2 GLY 57 1HA GLY 57 -1.435 -13.430 -4.475 364 HA3 GLY 57 2HA GLY 57 -0.715 -12.515 -5.807 365 H CYS 58 H CYS 58 -1.650 -11.329 -2.549 366 HA CYS 58 HA CYS 58 1.099 -10.221 -2.237 367 HB2 CYS 58 1HB CYS 58 -1.577 -9.286 -1.159 368 HB3 CYS 58 2HB CYS 58 -0.021 -8.548 -0.797 369 H ASP 59 H ASP 59 1.904 -10.098 0.011 370 HA ASP 59 HA ASP 59 1.081 -12.485 1.597 371 HB2 ASP 59 1HB ASP 59 3.480 -12.190 0.877 372 HB3 ASP 59 2HB ASP 59 3.566 -10.773 1.924 373 H MET 60 H MET 60 0.872 -12.165 3.947 374 HA MET 60 HA MET 60 -0.525 -9.568 4.499 375 HB2 MET 60 1HB MET 60 -1.513 -12.431 4.845 376 HB3 MET 60 2HB MET 60 -2.296 -11.016 5.554 377 HG2 MET 60 1HG MET 60 -2.711 -10.049 3.367 378 HG3 MET 60 2HG MET 60 -1.796 -11.352 2.579 379 HE1 MET 60 3HE MET 60 -4.403 -11.989 5.567 380 HE2 MET 60 1HE MET 60 -4.978 -10.526 4.734 381 HE3 MET 60 2HE MET 60 -5.903 -12.041 4.627 382 H GLU 61 H GLU 61 1.611 -9.332 5.402 383 HA GLU 61 HA GLU 61 3.246 -9.430 6.821 384 HB2 GLU 61 1HB GLU 61 2.878 -9.149 9.256 385 HB3 GLU 61 2HB GLU 61 2.084 -7.994 8.211 386 HG2 GLU 61 1HG GLU 61 -0.064 -9.111 8.512 387 HG3 GLU 61 2HG GLU 61 0.687 -10.321 9.566 Start of MODEL 13 1 H1 TYR 1 H TYR 1 -14.006 10.019 1.376 2 HA TYR 1 HA TYR 1 -12.349 10.113 3.130 3 HB2 TYR 1 1HB TYR 1 -13.044 8.086 4.289 4 HB3 TYR 1 2HB TYR 1 -12.520 7.075 2.956 5 HD1 TYR 1 2HD TYR 1 -11.007 9.921 4.954 6 HD2 TYR 1 1HD TYR 1 -10.493 5.838 3.509 7 HE1 TYR 1 2HE TYR 1 -8.736 9.857 5.888 8 HE2 TYR 1 1HE TYR 1 -8.260 5.814 4.450 9 HH TYR 1 HH TYR 1 -6.695 8.609 6.074 10 H ASN 2 H ASN 2 -11.183 7.295 1.530 11 HA ASN 2 HA ASN 2 -10.116 6.753 -0.345 12 HB2 ASN 2 1HB ASN 2 -9.596 9.672 -0.670 13 HB3 ASN 2 2HB ASN 2 -8.684 8.448 -1.551 14 HD21 ASN 2 1HD2 ASN 2 -10.106 10.413 -2.916 15 HD22 ASN 2 2HD2 ASN 2 -11.339 9.500 -3.783 16 HA PRO 3 HA PRO 3 -6.857 6.491 2.692 17 HB2 PRO 3 1HB PRO 3 -5.096 4.818 1.343 18 HB3 PRO 3 2HB PRO 3 -6.590 4.274 2.148 19 HG2 PRO 3 1HG PRO 3 -6.168 4.721 -0.778 20 HG3 PRO 3 2HG PRO 3 -7.183 3.527 0.086 21 HD2 PRO 3 1HD PRO 3 -8.230 5.739 -1.064 22 HD3 PRO 3 2HD PRO 3 -8.922 4.864 0.349 23 H GLU 4 H GLU 4 -6.419 7.848 -0.455 24 HA GLU 4 HA GLU 4 -3.758 8.797 -0.335 25 HB2 GLU 4 1HB GLU 4 -6.280 9.978 -1.608 26 HB3 GLU 4 2HB GLU 4 -4.668 10.518 -1.939 27 HG2 GLU 4 1HG GLU 4 -4.266 8.849 -3.394 28 HG3 GLU 4 2HG GLU 4 -4.868 7.602 -2.295 29 H ASP 5 H ASP 5 -6.593 9.779 1.538 30 HA ASP 5 HA ASP 5 -5.805 12.389 2.348 31 HB2 ASP 5 1HB ASP 5 -7.681 10.298 3.267 32 HB3 ASP 5 2HB ASP 5 -6.934 11.132 4.603 33 H ASP 6 H ASP 6 -4.618 9.178 3.255 34 HA ASP 6 HA ASP 6 -2.705 10.348 5.214 35 HB2 ASP 6 1HB ASP 6 -4.410 7.861 5.497 36 HB3 ASP 6 2HB ASP 6 -2.942 8.132 6.417 37 H TYR 7 H TYR 7 -2.453 9.878 2.351 38 HA TYR 7 HA TYR 7 -0.573 7.701 1.981 39 HB2 TYR 7 1HB TYR 7 -1.593 8.536 0.028 40 HB3 TYR 7 2HB TYR 7 -1.302 10.216 0.467 41 HD1 TYR 7 2HD TYR 7 0.712 7.096 -0.233 42 HD2 TYR 7 1HD TYR 7 0.276 11.349 -0.782 43 HE1 TYR 7 2HE TYR 7 2.593 7.083 -1.855 44 HE2 TYR 7 1HE TYR 7 2.166 11.357 -2.373 45 HH TYR 7 HH TYR 7 3.874 8.357 -3.323 46 H THR 8 H THR 8 1.669 7.785 2.269 47 HA THR 8 HA THR 8 2.799 10.256 3.456 48 HB THR 8 HB THR 8 4.219 8.591 4.732 49 HG1 THR 8 1HG THR 8 3.240 6.532 4.954 50 HG21 THR 8 3HG2 THR 8 2.195 9.890 5.585 51 HG22 THR 8 1HG2 THR 8 1.217 8.463 5.219 52 HG23 THR 8 2HG2 THR 8 2.539 8.375 6.411 53 HA PRO 9 HA PRO 9 5.159 9.388 -0.416 54 HB2 PRO 9 1HB PRO 9 5.917 11.989 -0.896 55 HB3 PRO 9 2HB PRO 9 4.411 11.264 -1.504 56 HG2 PRO 9 1HG PRO 9 4.826 13.052 0.889 57 HG3 PRO 9 2HG PRO 9 3.468 13.053 -0.279 58 HD2 PRO 9 1HD PRO 9 3.337 11.912 2.207 59 HD3 PRO 9 2HD PRO 9 2.417 11.265 0.829 60 H LEU 10 H LEU 10 5.952 11.095 2.581 61 HA LEU 10 HA LEU 10 8.718 11.537 2.152 62 HB2 LEU 10 1HB LEU 10 7.324 10.874 4.780 63 HB3 LEU 10 2HB LEU 10 8.912 11.592 4.559 64 HG LEU 10 HG LEU 10 6.194 12.856 4.169 65 HD11 LEU 10 1HD1 LEU 10 7.172 14.567 5.656 66 HD12 LEU 10 2HD1 LEU 10 7.346 12.942 6.382 67 HD13 LEU 10 3HD1 LEU 10 8.735 13.745 5.621 68 HD21 LEU 10 3HD2 LEU 10 7.335 13.520 2.148 69 HD22 LEU 10 1HD2 LEU 10 7.328 14.884 3.270 70 HD23 LEU 10 2HD2 LEU 10 8.818 13.933 3.067 71 H THR 11 H THR 11 6.963 8.599 3.105 72 HA THR 11 HA THR 11 9.526 7.098 3.216 73 HB THR 11 HB THR 11 8.003 5.439 4.465 74 HG1 THR 11 1HG THR 11 5.974 6.244 4.074 75 HG21 THR 11 3HG2 THR 11 9.712 6.896 5.555 76 HG22 THR 11 1HG2 THR 11 8.479 8.173 5.738 77 HG23 THR 11 2HG2 THR 11 8.311 6.629 6.585 78 H CYS 12 H CYS 12 6.569 7.521 1.352 79 HA CYS 12 HA CYS 12 6.514 4.807 0.483 80 HB2 CYS 12 1HB CYS 12 4.545 6.339 0.633 81 HB3 CYS 12 2HB CYS 12 5.138 7.172 -0.801 82 HA PRO 13 HA PRO 13 9.580 5.581 -2.818 83 HB2 PRO 13 1HB PRO 13 9.847 2.993 -3.720 84 HB3 PRO 13 2HB PRO 13 10.579 3.596 -2.194 85 HG2 PRO 13 1HG PRO 13 8.051 2.026 -2.588 86 HG3 PRO 13 2HG PRO 13 9.329 1.773 -1.372 87 HD2 PRO 13 1HD PRO 13 6.973 3.126 -0.879 88 HD3 PRO 13 2HD PRO 13 8.497 3.493 -0.031 89 H HIS 14 H HIS 14 6.409 5.565 -3.130 90 HA HIS 14 HA HIS 14 6.271 5.019 -6.044 91 HB2 HIS 14 1HB HIS 14 4.035 4.266 -4.156 92 HB3 HIS 14 2HB HIS 14 4.309 3.708 -5.789 93 HD1 HIS 14 1HD HIS 14 6.694 2.152 -6.063 94 HD2 HIS 14 2HD HIS 14 4.396 2.256 -2.516 95 HE1 HIS 14 1HE HIS 14 6.925 -0.092 -4.931 96 HE2 HIS 14 2HE HIS 14 5.593 -0.022 -2.777 97 H THR 15 H THR 15 4.714 6.379 -7.120 98 HA THR 15 HA THR 15 4.267 8.935 -5.825 99 HB THR 15 HB THR 15 3.381 9.458 -8.092 100 HG1 THR 15 1HG THR 15 3.582 7.749 -9.685 101 HG21 THR 15 3HG2 THR 15 5.516 9.011 -9.355 102 HG22 THR 15 1HG2 THR 15 5.775 9.743 -7.768 103 HG23 THR 15 2HG2 THR 15 6.074 8.010 -8.011 104 H ILE 16 H ILE 16 2.083 9.935 -5.813 105 HA ILE 16 HA ILE 16 -0.118 8.392 -4.795 106 HB ILE 16 HB ILE 16 0.320 10.673 -4.402 107 HG12 ILE 16 1HG1 ILE 16 -2.165 10.664 -4.376 108 HG13 ILE 16 2HG1 ILE 16 -2.224 9.091 -4.936 109 HG21 ILE 16 1HG2 ILE 16 -0.977 12.217 -5.822 110 HG22 ILE 16 2HG2 ILE 16 0.416 11.537 -6.695 111 HG23 ILE 16 3HG2 ILE 16 -1.228 10.938 -7.019 112 HD11 ILE 16 3HD1 ILE 16 -2.235 8.714 -2.651 113 HD12 ILE 16 1HD1 ILE 16 -0.501 8.881 -2.795 114 HD13 ILE 16 2HD1 ILE 16 -1.476 10.289 -2.323 115 H SER 17 H SER 17 1.010 8.878 -8.026 116 HA SER 17 HA SER 17 -1.457 8.004 -9.290 117 HB2 SER 17 1HB SER 17 1.040 9.158 -10.143 118 HB3 SER 17 2HB SER 17 0.599 7.790 -11.191 119 HG SER 17 HG SER 17 -0.359 10.054 -11.569 120 H VAL 18 H VAL 18 1.182 6.306 -7.797 121 HA VAL 18 HA VAL 18 -0.161 3.792 -8.582 122 HB VAL 18 HB VAL 18 1.955 2.678 -9.097 123 HG11 VAL 18 1HG1 VAL 18 2.361 3.465 -11.300 124 HG12 VAL 18 2HG1 VAL 18 0.632 3.654 -10.947 125 HG13 VAL 18 3HG1 VAL 18 1.697 5.078 -10.938 126 HG21 VAL 18 3HG2 VAL 18 3.858 3.560 -8.391 127 HG22 VAL 18 1HG2 VAL 18 3.772 4.839 -9.660 128 HG23 VAL 18 2HG2 VAL 18 3.089 5.076 -8.015 129 H VAL 19 H VAL 19 -0.547 4.778 -6.264 130 HA VAL 19 HA VAL 19 1.269 3.145 -4.556 131 HB VAL 19 HB VAL 19 1.398 5.395 -3.974 132 HG11 VAL 19 1HG1 VAL 19 -0.413 6.661 -2.968 133 HG12 VAL 19 2HG1 VAL 19 -0.782 6.237 -4.646 134 HG13 VAL 19 3HG1 VAL 19 -1.571 5.366 -3.315 135 HG21 VAL 19 3HG2 VAL 19 1.695 3.721 -2.245 136 HG22 VAL 19 1HG2 VAL 19 1.029 5.231 -1.590 137 HG23 VAL 19 2HG2 VAL 19 -0.018 3.825 -1.816 138 H TRP 20 H TRP 20 -2.297 3.814 -4.787 139 HA TRP 20 HA TRP 20 -3.067 1.731 -3.068 140 HB2 TRP 20 1HB TRP 20 -4.587 3.463 -3.926 141 HB3 TRP 20 2HB TRP 20 -4.509 2.765 -5.544 142 HD1 TRP 20 HD TRP 20 -6.315 0.932 -6.037 143 HE1 TRP 20 1HE TRP 20 -8.044 -0.339 -4.657 144 HE3 TRP 20 3HE TRP 20 -4.740 2.290 -1.374 145 HZ2 TRP 20 2HZ TRP 20 -8.875 -0.443 -1.817 146 HZ3 TRP 20 3HZ TRP 20 -6.024 1.662 0.615 147 HH2 TRP 20 HH TRP 20 -8.194 0.480 0.375 148 H TYR 21 H TYR 21 -3.189 1.549 -6.670 149 HA TYR 21 HA TYR 21 -3.322 -1.147 -7.089 150 HB2 TYR 21 1HB TYR 21 -3.255 0.364 -8.974 151 HB3 TYR 21 2HB TYR 21 -1.686 1.004 -8.512 152 HD1 TYR 21 1HD TYR 21 -3.393 -2.141 -9.635 153 HD2 TYR 21 2HD TYR 21 0.310 0.065 -9.407 154 HE1 TYR 21 1HE TYR 21 -2.260 -3.931 -10.890 155 HE2 TYR 21 2HE TYR 21 1.462 -1.731 -10.651 156 HH TYR 21 HH TYR 21 -0.278 -4.709 -11.687 157 H GLU 22 H GLU 22 -0.253 0.676 -6.155 158 HA GLU 22 HA GLU 22 1.323 -1.508 -7.050 159 HB2 GLU 22 1HB GLU 22 2.619 0.416 -7.221 160 HB3 GLU 22 2HB GLU 22 1.440 1.234 -6.281 161 HG2 GLU 22 1HG GLU 22 3.452 1.447 -5.260 162 HG3 GLU 22 2HG GLU 22 2.510 0.453 -4.164 163 H CYS 23 H CYS 23 -0.150 -0.473 -3.884 164 HA CYS 23 HA CYS 23 1.634 -2.255 -2.417 165 HB2 CYS 23 1HB CYS 23 -0.361 -0.144 -1.565 166 HB3 CYS 23 2HB CYS 23 0.357 -1.300 -0.451 167 H THR 24 H THR 24 -1.391 -2.382 -4.002 168 HA THR 24 HA THR 24 -2.319 -4.421 -2.109 169 HB THR 24 HB THR 24 -4.578 -3.731 -2.433 170 HG1 THR 24 1HG THR 24 -3.639 -1.591 -4.023 171 HG21 THR 24 3HG2 THR 24 -2.858 -1.287 -1.819 172 HG22 THR 24 1HG2 THR 24 -4.577 -1.461 -1.457 173 HG23 THR 24 2HG2 THR 24 -3.400 -2.525 -0.670 174 H GLU 25 H GLU 25 -1.330 -3.965 -5.331 175 HA GLU 25 HA GLU 25 -2.754 -6.404 -6.208 176 HB2 GLU 25 1HB GLU 25 -3.799 -4.007 -6.765 177 HB3 GLU 25 2HB GLU 25 -2.535 -3.988 -7.993 178 HG2 GLU 25 1HG GLU 25 -3.331 -6.222 -8.789 179 HG3 GLU 25 2HG GLU 25 -4.644 -6.133 -7.620 180 H ASN 26 H ASN 26 -0.224 -3.996 -6.925 181 HA ASN 26 HA ASN 26 1.061 -5.385 -9.033 182 HB2 ASN 26 1HB ASN 26 1.439 -3.022 -8.557 183 HB3 ASN 26 2HB ASN 26 2.230 -3.458 -7.038 184 HD21 ASN 26 1HD2 ASN 26 4.109 -2.344 -7.600 185 HD22 ASN 26 2HD2 ASN 26 5.278 -3.085 -8.651 186 H THR 27 H THR 27 1.524 -7.449 -8.725 187 HA THR 27 HA THR 27 2.425 -8.875 -6.542 188 HB THR 27 HB THR 27 3.383 -10.420 -8.387 189 HG1 THR 27 1HG THR 27 2.038 -8.531 -10.069 190 HG21 THR 27 3HG2 THR 27 1.128 -11.018 -9.195 191 HG22 THR 27 1HG2 THR 27 1.137 -10.722 -7.446 192 HG23 THR 27 2HG2 THR 27 0.476 -9.500 -8.549 193 H ALA 28 H ALA 28 4.379 -6.696 -8.465 194 HA ALA 28 HA ALA 28 6.941 -7.775 -7.872 195 HB1 ALA 28 1HB ALA 28 7.762 -5.673 -8.746 196 HB2 ALA 28 2HB ALA 28 6.363 -6.165 -9.719 197 HB3 ALA 28 3HB ALA 28 6.193 -4.896 -8.476 198 H ASN 29 H ASN 29 4.797 -5.959 -5.720 199 HA ASN 29 HA ASN 29 6.937 -6.131 -3.754 200 HB2 ASN 29 1HB ASN 29 5.691 -3.416 -3.552 201 HB3 ASN 29 2HB ASN 29 7.249 -4.012 -3.050 202 HD21 ASN 29 1HD2 ASN 29 5.485 -2.318 -5.472 203 HD22 ASN 29 2HD2 ASN 29 6.624 -2.327 -6.769 204 H CYS 30 H CYS 30 3.887 -4.326 -3.898 205 HA CYS 30 HA CYS 30 2.314 -4.076 -2.371 206 HB2 CYS 30 1HB CYS 30 0.530 -5.721 -2.736 207 HB3 CYS 30 2HB CYS 30 1.324 -5.136 -4.161 208 H GLY 31 H GLY 31 0.709 -5.734 -0.808 209 HA2 GLY 31 1HA GLY 31 0.562 -7.018 1.058 210 HA3 GLY 31 2HA GLY 31 2.319 -7.104 1.176 211 H THR 32 H THR 32 1.088 -6.875 3.480 212 HA THR 32 HA THR 32 0.158 -4.525 4.510 213 HB THR 32 HB THR 32 1.736 -6.787 5.744 214 HG1 THR 32 1HG THR 32 -0.825 -6.631 6.427 215 HG21 THR 32 3HG2 THR 32 0.205 -4.569 7.188 216 HG22 THR 32 1HG2 THR 32 0.685 -6.110 7.921 217 HG23 THR 32 2HG2 THR 32 1.922 -4.989 7.362 218 H ALA 33 H ALA 33 3.641 -5.391 4.092 219 HA ALA 33 HA ALA 33 4.554 -3.128 5.651 220 HB1 ALA 33 1HB ALA 33 6.022 -4.758 3.529 221 HB2 ALA 33 2HB ALA 33 6.771 -3.677 4.717 222 HB3 ALA 33 3HB ALA 33 5.939 -5.143 5.262 223 H CYS 34 H CYS 34 3.705 -3.543 2.217 224 HA CYS 34 HA CYS 34 4.825 -0.975 1.365 225 HB2 CYS 34 1HB CYS 34 4.225 -2.907 -0.163 226 HB3 CYS 34 2HB CYS 34 2.533 -2.542 0.117 227 H CYS 35 H CYS 35 1.603 -2.244 2.333 228 HA CYS 35 HA CYS 35 0.198 0.190 2.178 229 HB2 CYS 35 1HB CYS 35 -0.178 -2.265 3.927 230 HB3 CYS 35 2HB CYS 35 -1.280 -0.898 3.974 231 H ASP 36 H ASP 36 2.302 -0.986 4.838 232 HA ASP 36 HA ASP 36 1.472 1.121 6.624 233 HB2 ASP 36 1HB ASP 36 2.603 -1.114 7.213 234 HB3 ASP 36 2HB ASP 36 4.124 -0.330 6.789 235 H SER 37 H SER 37 4.491 0.699 4.692 236 HA SER 37 HA SER 37 5.569 3.240 5.389 237 HB2 SER 37 1HB SER 37 6.113 1.186 3.228 238 HB3 SER 37 2HB SER 37 6.978 2.733 3.239 239 HG SER 37 HG SER 37 7.484 0.591 4.714 240 H CYS 38 H CYS 38 2.942 2.657 3.305 241 HA CYS 38 HA CYS 38 3.365 5.271 1.945 242 HB2 CYS 38 1HB CYS 38 2.107 2.685 0.989 243 HB3 CYS 38 2HB CYS 38 1.925 4.215 0.162 244 H PHE 39 H PHE 39 1.249 3.641 4.198 245 HA PHE 39 HA PHE 39 -0.626 5.835 3.883 246 HB2 PHE 39 1HB PHE 39 -1.498 2.922 3.768 247 HB3 PHE 39 2HB PHE 39 -2.548 4.272 4.050 248 HD1 PHE 39 1HD PHE 39 -2.512 6.193 2.183 249 HD2 PHE 39 2HD PHE 39 -1.276 2.119 1.572 250 HE1 PHE 39 1HE PHE 39 -3.075 6.379 -0.219 251 HE2 PHE 39 2HE PHE 39 -1.892 2.273 -0.816 252 HZ PHE 39 HZ PHE 39 -2.825 4.393 -1.701 253 H GLU 40 H GLU 40 -1.634 6.323 5.872 254 HA GLU 40 HA GLU 40 -0.935 4.552 8.180 255 HB2 GLU 40 1HB GLU 40 -1.068 7.565 8.289 256 HB3 GLU 40 2HB GLU 40 -0.459 6.444 9.528 257 HG2 GLU 40 1HG GLU 40 1.138 5.650 7.580 258 HG3 GLU 40 2HG GLU 40 0.750 7.248 6.939 259 H LEU 41 H LEU 41 -2.296 4.908 10.060 260 HA LEU 41 HA LEU 41 -4.336 4.699 11.035 261 HB2 LEU 41 1HB LEU 41 -4.727 7.342 9.575 262 HB3 LEU 41 2HB LEU 41 -5.578 6.826 11.037 263 HG LEU 41 HG LEU 41 -2.553 7.257 10.847 264 HD11 LEU 41 1HD1 LEU 41 -3.673 9.330 10.550 265 HD12 LEU 41 2HD1 LEU 41 -4.701 9.068 11.971 266 HD13 LEU 41 3HD1 LEU 41 -2.939 9.286 12.157 267 HD21 LEU 41 3HD2 LEU 41 -2.660 7.185 13.322 268 HD22 LEU 41 1HD2 LEU 41 -4.357 6.669 13.223 269 HD23 LEU 41 2HD2 LEU 41 -3.056 5.639 12.572 270 H THR 42 H THR 42 -6.673 6.237 9.286 271 HA THR 42 HA THR 42 -7.924 3.796 8.631 272 HB THR 42 HB THR 42 -8.648 6.505 7.467 273 HG1 THR 42 1HG THR 42 -8.801 5.525 10.097 274 HG21 THR 42 3HG2 THR 42 -10.115 4.766 6.687 275 HG22 THR 42 1HG2 THR 42 -10.204 4.027 8.301 276 HG23 THR 42 2HG2 THR 42 -10.959 5.602 8.007 277 H GLY 43 H GLY 43 -5.695 5.789 6.761 278 HA2 GLY 43 1HA GLY 43 -6.339 4.786 4.161 279 HA3 GLY 43 2HA GLY 43 -4.834 5.583 4.675 280 H ASN 44 H ASN 44 -4.142 3.884 6.795 281 HA ASN 44 HA ASN 44 -2.843 1.715 5.466 282 HB2 ASN 44 1HB ASN 44 -2.010 2.697 7.611 283 HB3 ASN 44 2HB ASN 44 -3.353 1.931 8.462 284 HD21 ASN 44 1HD2 ASN 44 -0.801 1.069 6.039 285 HD22 ASN 44 2HD2 ASN 44 -0.447 -0.482 6.803 286 H THR 45 H THR 45 -5.660 1.795 7.774 287 HA THR 45 HA THR 45 -6.332 -0.880 7.655 288 HB THR 45 HB THR 45 -8.607 1.086 7.453 289 HG1 THR 45 1HG THR 45 -6.733 1.141 9.563 290 HG21 THR 45 3HG2 THR 45 -9.483 -0.299 9.318 291 HG22 THR 45 1HG2 THR 45 -9.054 -1.273 7.897 292 HG23 THR 45 2HG2 THR 45 -7.984 -1.244 9.305 293 H MET 46 H MET 46 -7.549 1.705 5.392 294 HA MET 46 HA MET 46 -9.090 -0.027 3.853 295 HB2 MET 46 1HB MET 46 -7.804 2.690 3.283 296 HB3 MET 46 2HB MET 46 -8.823 1.855 2.117 297 HG2 MET 46 1HG MET 46 -9.740 2.091 4.981 298 HG3 MET 46 2HG MET 46 -9.801 3.506 3.981 299 HE1 MET 46 3HE MET 46 -11.488 3.913 2.108 300 HE2 MET 46 1HE MET 46 -10.566 2.708 1.181 301 HE3 MET 46 2HE MET 46 -12.319 2.622 1.226 302 H CYS 47 H CYS 47 -5.625 0.807 3.467 303 HA CYS 47 HA CYS 47 -5.236 -0.535 0.976 304 HB2 CYS 47 1HB CYS 47 -3.756 1.180 2.003 305 HB3 CYS 47 2HB CYS 47 -3.262 0.013 3.220 306 H LEU 48 H LEU 48 -4.786 -1.631 4.381 307 HA LEU 48 HA LEU 48 -3.968 -4.283 3.783 308 HB2 LEU 48 1HB LEU 48 -5.546 -3.169 6.150 309 HB3 LEU 48 2HB LEU 48 -4.814 -4.746 6.074 310 HG LEU 48 HG LEU 48 -3.368 -2.074 6.092 311 HD11 LEU 48 1HD1 LEU 48 -2.455 -2.874 8.222 312 HD12 LEU 48 2HD1 LEU 48 -4.226 -2.794 8.265 313 HD13 LEU 48 3HD1 LEU 48 -3.407 -4.359 8.082 314 HD21 LEU 48 3HD2 LEU 48 -2.070 -4.787 5.941 315 HD22 LEU 48 1HD2 LEU 48 -2.107 -3.594 4.628 316 HD23 LEU 48 2HD2 LEU 48 -1.261 -3.213 6.126 317 H LEU 49 H LEU 49 -7.193 -2.964 4.379 318 HA LEU 49 HA LEU 49 -8.756 -5.240 4.011 319 HB2 LEU 49 1HB LEU 49 -9.172 -2.393 4.120 320 HB3 LEU 49 2HB LEU 49 -10.065 -2.974 2.742 321 HG LEU 49 HG LEU 49 -10.295 -4.176 5.534 322 HD11 LEU 49 1HD1 LEU 49 -10.950 -1.826 5.582 323 HD12 LEU 49 2HD1 LEU 49 -12.031 -2.067 4.179 324 HD13 LEU 49 3HD1 LEU 49 -12.367 -2.861 5.736 325 HD21 LEU 49 3HD2 LEU 49 -11.048 -5.690 3.734 326 HD22 LEU 49 1HD2 LEU 49 -12.420 -5.089 4.661 327 HD23 LEU 49 2HD2 LEU 49 -12.061 -4.397 3.048 328 H GLN 50 H GLN 50 -7.275 -3.252 1.413 329 HA GLN 50 HA GLN 50 -8.592 -4.812 -0.664 330 HB2 GLN 50 1HB GLN 50 -7.917 -2.364 -0.789 331 HB3 GLN 50 2HB GLN 50 -6.236 -2.887 -0.868 332 HG2 GLN 50 1HG GLN 50 -7.099 -2.435 -3.123 333 HG3 GLN 50 2HG GLN 50 -6.765 -4.163 -2.963 334 HE21 GLN 50 1HE2 GLN 50 -8.467 -5.597 -3.480 335 HE22 GLN 50 2HE2 GLN 50 -10.147 -5.128 -3.400 336 H ALA 51 H ALA 51 -5.254 -4.503 0.621 337 HA ALA 51 HA ALA 51 -4.013 -6.289 -1.173 338 HB1 ALA 51 1HB ALA 51 -2.904 -4.538 0.274 339 HB2 ALA 51 2HB ALA 51 -3.164 -5.591 1.680 340 HB3 ALA 51 3HB ALA 51 -2.113 -6.100 0.342 341 H GLY 52 H GLY 52 -5.248 -6.868 2.171 342 HA2 GLY 52 1HA GLY 52 -4.523 -9.681 2.097 343 HA3 GLY 52 2HA GLY 52 -5.331 -8.803 3.396 344 H ALA 53 H ALA 53 -7.044 -8.241 0.485 345 HA ALA 53 HA ALA 53 -9.298 -9.825 1.352 346 HB1 ALA 53 1HB ALA 53 -9.505 -7.651 0.165 347 HB2 ALA 53 2HB ALA 53 -8.819 -8.392 -1.294 348 HB3 ALA 53 3HB ALA 53 -10.374 -8.952 -0.664 349 H ALA 54 H ALA 54 -6.558 -10.598 -0.489 350 HA ALA 54 HA ALA 54 -5.791 -12.201 -1.711 351 HB1 ALA 54 1HB ALA 54 -6.683 -13.763 -0.045 352 HB2 ALA 54 2HB ALA 54 -8.207 -13.867 -0.948 353 HB3 ALA 54 3HB ALA 54 -6.697 -14.454 -1.682 354 H GLY 55 H GLY 55 -5.867 -13.101 -3.737 355 HA2 GLY 55 1HA GLY 55 -6.922 -13.399 -5.934 356 HA3 GLY 55 2HA GLY 55 -7.948 -12.001 -5.593 357 H SER 56 H SER 56 -5.762 -10.413 -4.308 358 HA SER 56 HA SER 56 -4.396 -9.281 -6.528 359 HB2 SER 56 1HB SER 56 -3.782 -9.166 -3.553 360 HB3 SER 56 2HB SER 56 -3.050 -8.153 -4.804 361 HG SER 56 HG SER 56 -4.630 -6.946 -4.295 362 H GLY 57 H GLY 57 -2.724 -11.063 -3.825 363 HA2 GLY 57 1HA GLY 57 -1.230 -12.948 -4.564 364 HA3 GLY 57 2HA GLY 57 -0.654 -11.863 -5.839 365 H CYS 58 H CYS 58 -1.370 -11.073 -2.388 366 HA CYS 58 HA CYS 58 1.448 -11.041 -1.734 367 HB2 CYS 58 1HB CYS 58 -0.107 -8.524 -2.058 368 HB3 CYS 58 2HB CYS 58 0.748 -8.680 -0.538 369 H ASP 59 H ASP 59 1.610 -10.319 0.661 370 HA ASP 59 HA ASP 59 0.072 -12.428 2.039 371 HB2 ASP 59 1HB ASP 59 2.780 -11.488 2.082 372 HB3 ASP 59 2HB ASP 59 2.115 -11.097 3.650 373 H MET 60 H MET 60 -0.208 -11.803 4.597 374 HA MET 60 HA MET 60 -0.686 -9.024 5.014 375 HB2 MET 60 1HB MET 60 -2.931 -9.226 5.907 376 HB3 MET 60 2HB MET 60 -2.907 -9.659 4.192 377 HG2 MET 60 1HG MET 60 -3.609 -11.752 4.579 378 HG3 MET 60 2HG MET 60 -2.599 -11.986 5.993 379 HE1 MET 60 3HE MET 60 -3.223 -11.686 8.389 380 HE2 MET 60 1HE MET 60 -3.398 -9.927 8.207 381 HE3 MET 60 2HE MET 60 -4.678 -10.874 8.994 382 H GLU 61 H GLU 61 -1.006 -8.575 7.369 383 HA GLU 61 HA GLU 61 -0.216 -10.765 9.214 384 HB2 GLU 61 1HB GLU 61 1.204 -8.088 8.879 385 HB3 GLU 61 2HB GLU 61 1.489 -9.236 10.182 386 HG2 GLU 61 1HG GLU 61 2.436 -10.860 8.697 387 HG3 GLU 61 2HG GLU 61 1.966 -9.938 7.255 Start of MODEL 14 1 H1 TYR 1 H TYR 1 -13.330 10.134 1.603 2 HA TYR 1 HA TYR 1 -11.709 9.388 3.303 3 HB2 TYR 1 1HB TYR 1 -12.615 7.513 4.186 4 HB3 TYR 1 2HB TYR 1 -13.020 6.765 2.684 5 HD1 TYR 1 1HD TYR 1 -10.019 7.748 4.717 6 HD2 TYR 1 2HD TYR 1 -11.623 4.918 1.762 7 HE1 TYR 1 1HE TYR 1 -8.100 6.255 4.984 8 HE2 TYR 1 2HE TYR 1 -9.752 3.627 1.967 9 HH TYR 1 HH TYR 1 -7.559 3.788 4.690 10 H ASN 2 H ASN 2 -11.572 7.094 0.538 11 HA ASN 2 HA ASN 2 -9.990 6.641 -0.817 12 HB2 ASN 2 1HB ASN 2 -9.293 9.557 -0.763 13 HB3 ASN 2 2HB ASN 2 -8.423 8.375 -1.737 14 HD21 ASN 2 1HD2 ASN 2 -10.582 10.719 -2.092 15 HD22 ASN 2 2HD2 ASN 2 -11.701 10.022 -3.282 16 HA PRO 3 HA PRO 3 -6.957 5.927 2.375 17 HB2 PRO 3 1HB PRO 3 -5.139 4.388 0.924 18 HB3 PRO 3 2HB PRO 3 -6.634 3.782 1.643 19 HG2 PRO 3 1HG PRO 3 -6.129 4.484 -1.218 20 HG3 PRO 3 2HG PRO 3 -7.232 3.256 -0.501 21 HD2 PRO 3 1HD PRO 3 -8.108 5.622 -1.506 22 HD3 PRO 3 2HD PRO 3 -8.936 4.648 -0.249 23 H GLU 4 H GLU 4 -6.246 7.518 -0.592 24 HA GLU 4 HA GLU 4 -3.631 8.478 -0.202 25 HB2 GLU 4 1HB GLU 4 -6.094 9.593 -1.572 26 HB3 GLU 4 2HB GLU 4 -4.496 10.307 -1.769 27 HG2 GLU 4 1HG GLU 4 -3.630 8.530 -3.004 28 HG3 GLU 4 2HG GLU 4 -4.747 7.351 -2.347 29 H ASP 5 H ASP 5 -6.411 9.183 1.697 30 HA ASP 5 HA ASP 5 -6.040 11.845 2.574 31 HB2 ASP 5 1HB ASP 5 -7.953 10.208 2.881 32 HB3 ASP 5 2HB ASP 5 -7.014 9.425 4.143 33 H ASP 6 H ASP 6 -4.331 8.877 3.321 34 HA ASP 6 HA ASP 6 -2.556 10.172 5.375 35 HB2 ASP 6 1HB ASP 6 -3.763 7.409 5.352 36 HB3 ASP 6 2HB ASP 6 -2.483 7.934 6.442 37 H TYR 7 H TYR 7 -2.279 9.908 2.409 38 HA TYR 7 HA TYR 7 -0.299 7.898 1.793 39 HB2 TYR 7 1HB TYR 7 -1.492 8.979 0.003 40 HB3 TYR 7 2HB TYR 7 -1.091 10.583 0.605 41 HD1 TYR 7 2HD TYR 7 1.170 7.612 -0.091 42 HD2 TYR 7 1HD TYR 7 0.107 11.680 -1.076 43 HE1 TYR 7 2HE TYR 7 2.914 7.632 -1.809 44 HE2 TYR 7 1HE TYR 7 1.941 11.735 -2.736 45 HH TYR 7 HH TYR 7 4.019 8.891 -3.426 46 H THR 8 H THR 8 1.780 7.836 2.623 47 HA THR 8 HA THR 8 2.963 10.332 3.661 48 HB THR 8 HB THR 8 4.504 8.637 4.793 49 HG1 THR 8 1HG THR 8 3.633 6.581 5.021 50 HG21 THR 8 3HG2 THR 8 1.534 8.546 5.482 51 HG22 THR 8 1HG2 THR 8 2.918 8.279 6.577 52 HG23 THR 8 2HG2 THR 8 2.634 9.878 5.913 53 HA PRO 9 HA PRO 9 5.097 9.570 -0.408 54 HB2 PRO 9 1HB PRO 9 5.771 12.191 -0.932 55 HB3 PRO 9 2HB PRO 9 4.209 11.469 -1.387 56 HG2 PRO 9 1HG PRO 9 4.854 13.144 1.046 57 HG3 PRO 9 2HG PRO 9 3.440 13.240 -0.040 58 HD2 PRO 9 1HD PRO 9 3.265 11.984 2.328 59 HD3 PRO 9 2HD PRO 9 2.445 11.331 0.875 60 H LEU 10 H LEU 10 6.075 11.176 2.532 61 HA LEU 10 HA LEU 10 8.757 11.857 1.797 62 HB2 LEU 10 1HB LEU 10 7.543 11.291 4.546 63 HB3 LEU 10 2HB LEU 10 9.084 12.093 4.242 64 HG LEU 10 HG LEU 10 6.324 13.146 3.465 65 HD11 LEU 10 1HD1 LEU 10 6.827 14.925 5.085 66 HD12 LEU 10 2HD1 LEU 10 6.817 13.330 5.845 67 HD13 LEU 10 3HD1 LEU 10 8.371 14.139 5.487 68 HD21 LEU 10 3HD2 LEU 10 7.676 15.242 2.854 69 HD22 LEU 10 1HD2 LEU 10 9.104 14.196 2.883 70 HD23 LEU 10 2HD2 LEU 10 7.783 13.891 1.725 71 H THR 11 H THR 11 7.279 8.893 3.115 72 HA THR 11 HA THR 11 9.866 7.495 3.015 73 HB THR 11 HB THR 11 8.175 5.828 4.301 74 HG1 THR 11 1HG THR 11 6.850 7.159 5.672 75 HG21 THR 11 3HG2 THR 11 9.008 6.746 6.417 76 HG22 THR 11 1HG2 THR 11 10.286 6.733 5.205 77 HG23 THR 11 2HG2 THR 11 9.463 8.262 5.610 78 H CYS 12 H CYS 12 6.776 7.794 1.333 79 HA CYS 12 HA CYS 12 6.792 5.063 0.453 80 HB2 CYS 12 1HB CYS 12 4.745 6.423 0.804 81 HB3 CYS 12 2HB CYS 12 5.170 7.375 -0.624 82 HA PRO 13 HA PRO 13 9.475 6.064 -3.076 83 HB2 PRO 13 1HB PRO 13 9.959 3.519 -3.977 84 HB3 PRO 13 2HB PRO 13 10.748 4.245 -2.544 85 HG2 PRO 13 1HG PRO 13 8.480 2.295 -2.675 86 HG3 PRO 13 2HG PRO 13 9.816 2.377 -1.499 87 HD2 PRO 13 1HD PRO 13 7.223 3.370 -1.094 88 HD3 PRO 13 2HD PRO 13 8.663 3.881 -0.184 89 H HIS 14 H HIS 14 6.369 5.859 -3.238 90 HA HIS 14 HA HIS 14 6.216 5.492 -6.173 91 HB2 HIS 14 1HB HIS 14 3.945 4.513 -4.440 92 HB3 HIS 14 2HB HIS 14 4.303 4.092 -6.100 93 HD1 HIS 14 1HD HIS 14 6.567 2.413 -6.430 94 HD2 HIS 14 2HD HIS 14 4.752 2.795 -2.635 95 HE1 HIS 14 1HE HIS 14 7.111 0.344 -5.100 96 HE2 HIS 14 2HE HIS 14 6.169 0.671 -2.732 97 H THR 15 H THR 15 4.490 6.674 -7.144 98 HA THR 15 HA THR 15 4.107 9.222 -5.814 99 HB THR 15 HB THR 15 3.171 9.728 -8.177 100 HG1 THR 15 1HG THR 15 4.359 7.774 -9.456 101 HG21 THR 15 3HG2 THR 15 5.448 10.258 -7.539 102 HG22 THR 15 1HG2 THR 15 5.999 8.625 -7.900 103 HG23 THR 15 2HG2 THR 15 5.423 9.696 -9.212 104 H ILE 16 H ILE 16 2.022 10.294 -5.616 105 HA ILE 16 HA ILE 16 -0.224 8.660 -5.021 106 HB ILE 16 HB ILE 16 0.263 10.991 -4.260 107 HG12 ILE 16 1HG1 ILE 16 -2.564 10.443 -5.238 108 HG13 ILE 16 2HG1 ILE 16 -1.802 9.764 -3.802 109 HG21 ILE 16 1HG2 ILE 16 -0.426 12.923 -5.484 110 HG22 ILE 16 2HG2 ILE 16 0.704 12.019 -6.489 111 HG23 ILE 16 3HG2 ILE 16 -1.047 11.938 -6.818 112 HD11 ILE 16 3HD1 ILE 16 -1.536 12.048 -2.847 113 HD12 ILE 16 1HD1 ILE 16 -2.405 12.705 -4.264 114 HD13 ILE 16 2HD1 ILE 16 -3.226 11.606 -3.153 115 H SER 17 H SER 17 1.154 9.254 -7.977 116 HA SER 17 HA SER 17 -1.140 9.096 -9.720 117 HB2 SER 17 1HB SER 17 1.266 9.852 -10.286 118 HB3 SER 17 2HB SER 17 1.704 8.144 -10.222 119 HG SER 17 HG SER 17 -0.426 8.509 -11.842 120 H VAL 18 H VAL 18 1.189 6.721 -8.273 121 HA VAL 18 HA VAL 18 -0.700 4.518 -8.835 122 HB VAL 18 HB VAL 18 0.977 3.249 -10.020 123 HG11 VAL 18 1HG1 VAL 18 -0.414 4.765 -11.420 124 HG12 VAL 18 2HG1 VAL 18 0.918 5.950 -11.400 125 HG13 VAL 18 3HG1 VAL 18 1.157 4.349 -12.119 126 HG21 VAL 18 3HG2 VAL 18 3.131 4.864 -10.664 127 HG22 VAL 18 1HG2 VAL 18 2.699 5.365 -8.970 128 HG23 VAL 18 2HG2 VAL 18 3.041 3.687 -9.308 129 H VAL 19 H VAL 19 -0.606 5.271 -6.555 130 HA VAL 19 HA VAL 19 1.229 3.428 -5.195 131 HB VAL 19 HB VAL 19 1.439 5.693 -4.520 132 HG11 VAL 19 1HG1 VAL 19 -0.864 6.514 -4.868 133 HG12 VAL 19 2HG1 VAL 19 -1.424 5.551 -3.486 134 HG13 VAL 19 3HG1 VAL 19 -0.284 6.886 -3.235 135 HG21 VAL 19 3HG2 VAL 19 1.972 3.873 -2.977 136 HG22 VAL 19 1HG2 VAL 19 1.526 5.389 -2.183 137 HG23 VAL 19 2HG2 VAL 19 0.365 4.043 -2.246 138 H TRP 20 H TRP 20 -2.354 4.052 -5.379 139 HA TRP 20 HA TRP 20 -2.990 2.066 -3.500 140 HB2 TRP 20 1HB TRP 20 -4.648 3.639 -4.364 141 HB3 TRP 20 2HB TRP 20 -4.585 2.903 -5.955 142 HD1 TRP 20 HD TRP 20 -6.405 1.124 -6.385 143 HE1 TRP 20 1HE TRP 20 -8.002 -0.262 -4.980 144 HE3 TRP 20 3HE TRP 20 -4.540 2.196 -1.729 145 HZ2 TRP 20 2HZ TRP 20 -8.707 -0.504 -2.138 146 HZ3 TRP 20 3HZ TRP 20 -5.716 1.408 0.277 147 HH2 TRP 20 HH TRP 20 -7.878 0.175 0.079 148 H TYR 21 H TYR 21 -3.134 1.532 -7.070 149 HA TYR 21 HA TYR 21 -3.421 -1.304 -6.824 150 HB2 TYR 21 1HB TYR 21 -4.058 -0.617 -8.883 151 HB3 TYR 21 2HB TYR 21 -2.826 0.596 -9.036 152 HD1 TYR 21 1HD TYR 21 -0.398 -0.083 -9.592 153 HD2 TYR 21 2HD TYR 21 -3.746 -2.787 -9.850 154 HE1 TYR 21 1HE TYR 21 0.939 -1.588 -11.022 155 HE2 TYR 21 2HE TYR 21 -2.431 -4.287 -11.289 156 HH TYR 21 HH TYR 21 0.111 -4.719 -11.744 157 H GLU 22 H GLU 22 -0.432 0.760 -6.950 158 HA GLU 22 HA GLU 22 1.448 -1.242 -7.403 159 HB2 GLU 22 1HB GLU 22 2.715 0.662 -7.260 160 HB3 GLU 22 2HB GLU 22 1.246 1.487 -6.863 161 HG2 GLU 22 1HG GLU 22 2.865 2.038 -5.325 162 HG3 GLU 22 2HG GLU 22 1.733 1.063 -4.396 163 H CYS 23 H CYS 23 -0.430 -0.475 -4.447 164 HA CYS 23 HA CYS 23 1.338 -2.223 -2.885 165 HB2 CYS 23 1HB CYS 23 0.693 0.364 -2.469 166 HB3 CYS 23 2HB CYS 23 -0.697 -0.342 -1.716 167 H THR 24 H THR 24 -1.558 -2.429 -4.510 168 HA THR 24 HA THR 24 -2.646 -4.289 -2.486 169 HB THR 24 HB THR 24 -4.857 -3.465 -2.916 170 HG1 THR 24 1HG THR 24 -3.677 -1.320 -4.306 171 HG21 THR 24 3HG2 THR 24 -2.999 -1.178 -2.115 172 HG22 THR 24 1HG2 THR 24 -4.733 -1.302 -1.775 173 HG23 THR 24 2HG2 THR 24 -3.600 -2.460 -1.051 174 H GLU 25 H GLU 25 -1.538 -4.096 -5.651 175 HA GLU 25 HA GLU 25 -2.947 -6.614 -6.339 176 HB2 GLU 25 1HB GLU 25 -4.116 -4.520 -7.231 177 HB3 GLU 25 2HB GLU 25 -2.692 -4.202 -8.176 178 HG2 GLU 25 1HG GLU 25 -3.094 -5.929 -9.664 179 HG3 GLU 25 2HG GLU 25 -3.803 -6.953 -8.418 180 H ASN 26 H ASN 26 -0.297 -4.293 -6.948 181 HA ASN 26 HA ASN 26 1.119 -6.127 -8.731 182 HB2 ASN 26 1HB ASN 26 1.379 -3.762 -9.104 183 HB3 ASN 26 2HB ASN 26 1.909 -3.511 -7.436 184 HD21 ASN 26 1HD2 ASN 26 3.839 -2.545 -8.324 185 HD22 ASN 26 2HD2 ASN 26 5.147 -3.581 -8.884 186 H THR 27 H THR 27 1.615 -8.036 -7.633 187 HA THR 27 HA THR 27 2.079 -8.138 -4.838 188 HB THR 27 HB THR 27 2.676 -10.504 -5.270 189 HG1 THR 27 1HG THR 27 3.368 -10.978 -7.139 190 HG21 THR 27 3HG2 THR 27 0.202 -9.612 -6.848 191 HG22 THR 27 1HG2 THR 27 0.482 -11.197 -6.081 192 HG23 THR 27 2HG2 THR 27 0.289 -9.768 -5.085 193 H ALA 28 H ALA 28 4.280 -7.292 -7.381 194 HA ALA 28 HA ALA 28 6.778 -7.996 -6.320 195 HB1 ALA 28 1HB ALA 28 7.619 -6.057 -7.519 196 HB2 ALA 28 2HB ALA 28 6.331 -6.771 -8.507 197 HB3 ALA 28 3HB ALA 28 6.018 -5.311 -7.551 198 H ASN 29 H ASN 29 4.441 -5.597 -5.172 199 HA ASN 29 HA ASN 29 6.295 -4.891 -2.943 200 HB2 ASN 29 1HB ASN 29 4.423 -2.889 -4.228 201 HB3 ASN 29 2HB ASN 29 5.612 -2.607 -2.956 202 HD21 ASN 29 1HD2 ASN 29 5.260 -1.500 -5.793 203 HD22 ASN 29 2HD2 ASN 29 6.706 -2.002 -6.713 204 H CYS 30 H CYS 30 2.880 -5.103 -4.064 205 HA CYS 30 HA CYS 30 1.506 -4.265 -1.891 206 HB2 CYS 30 1HB CYS 30 0.238 -4.846 -3.729 207 HB3 CYS 30 2HB CYS 30 0.992 -6.390 -3.970 208 H GLY 31 H GLY 31 0.848 -4.929 0.127 209 HA2 GLY 31 1HA GLY 31 0.662 -7.338 1.340 210 HA3 GLY 31 2HA GLY 31 2.398 -7.032 1.360 211 H THR 32 H THR 32 1.723 -7.192 3.810 212 HA THR 32 HA THR 32 0.278 -5.017 4.988 213 HB THR 32 HB THR 32 2.206 -7.039 6.203 214 HG1 THR 32 1HG THR 32 -0.230 -7.401 7.028 215 HG21 THR 32 3HG2 THR 32 1.994 -5.075 7.710 216 HG22 THR 32 1HG2 THR 32 0.222 -5.204 7.620 217 HG23 THR 32 2HG2 THR 32 1.189 -6.498 8.375 218 H ALA 33 H ALA 33 3.824 -5.658 4.688 219 HA ALA 33 HA ALA 33 4.563 -3.275 6.108 220 HB1 ALA 33 1HB ALA 33 6.219 -4.844 4.070 221 HB2 ALA 33 2HB ALA 33 6.815 -3.690 5.268 222 HB3 ALA 33 3HB ALA 33 6.116 -5.226 5.804 223 H CYS 34 H CYS 34 4.059 -4.040 2.683 224 HA CYS 34 HA CYS 34 4.771 -1.627 1.468 225 HB2 CYS 34 1HB CYS 34 3.978 -3.654 0.373 226 HB3 CYS 34 2HB CYS 34 2.337 -3.362 0.895 227 H CYS 35 H CYS 35 1.536 -2.498 2.809 228 HA CYS 35 HA CYS 35 0.379 0.034 2.303 229 HB2 CYS 35 1HB CYS 35 -0.296 -2.128 4.328 230 HB3 CYS 35 2HB CYS 35 -1.276 -0.685 4.096 231 H ASP 36 H ASP 36 2.027 -1.241 5.250 232 HA ASP 36 HA ASP 36 1.508 1.187 6.692 233 HB2 ASP 36 1HB ASP 36 2.084 -1.309 7.455 234 HB3 ASP 36 2HB ASP 36 3.721 -0.681 7.523 235 H SER 37 H SER 37 4.139 0.275 4.602 236 HA SER 37 HA SER 37 5.967 2.358 5.245 237 HB2 SER 37 1HB SER 37 5.469 0.928 2.599 238 HB3 SER 37 2HB SER 37 6.869 1.934 2.970 239 HG SER 37 HG SER 37 6.105 -0.502 4.222 240 H CYS 38 H CYS 38 2.991 2.398 3.288 241 HA CYS 38 HA CYS 38 3.707 5.125 2.264 242 HB2 CYS 38 1HB CYS 38 2.344 2.738 0.980 243 HB3 CYS 38 2HB CYS 38 2.207 4.358 0.323 244 H PHE 39 H PHE 39 1.317 3.417 4.140 245 HA PHE 39 HA PHE 39 -0.459 5.758 3.964 246 HB2 PHE 39 1HB PHE 39 -1.309 2.815 3.856 247 HB3 PHE 39 2HB PHE 39 -2.373 4.173 4.100 248 HD1 PHE 39 2HD PHE 39 -2.636 5.918 2.235 249 HD2 PHE 39 1HD PHE 39 -0.880 2.032 1.624 250 HE1 PHE 39 2HE PHE 39 -3.268 6.004 -0.162 251 HE2 PHE 39 1HE PHE 39 -1.521 2.108 -0.758 252 HZ PHE 39 HZ PHE 39 -2.735 4.086 -1.643 253 H GLU 40 H GLU 40 -1.352 6.252 5.941 254 HA GLU 40 HA GLU 40 -0.689 4.454 8.223 255 HB2 GLU 40 1HB GLU 40 -0.873 7.475 8.279 256 HB3 GLU 40 2HB GLU 40 -0.357 6.448 9.590 257 HG2 GLU 40 1HG GLU 40 1.466 5.692 7.737 258 HG3 GLU 40 2HG GLU 40 1.087 7.338 7.221 259 H LEU 41 H LEU 41 -2.091 4.940 10.125 260 HA LEU 41 HA LEU 41 -4.126 4.927 11.136 261 HB2 LEU 41 1HB LEU 41 -4.512 7.399 9.399 262 HB3 LEU 41 2HB LEU 41 -5.302 7.059 10.944 263 HG LEU 41 HG LEU 41 -2.311 7.557 10.511 264 HD11 LEU 41 1HD1 LEU 41 -2.718 9.656 11.686 265 HD12 LEU 41 2HD1 LEU 41 -3.650 9.542 10.193 266 HD13 LEU 41 3HD1 LEU 41 -4.467 9.307 11.741 267 HD21 LEU 41 3HD2 LEU 41 -2.470 6.086 12.375 268 HD22 LEU 41 1HD2 LEU 41 -2.291 7.701 13.052 269 HD23 LEU 41 2HD2 LEU 41 -3.897 6.905 13.023 270 H THR 42 H THR 42 -6.274 6.442 9.043 271 HA THR 42 HA THR 42 -7.771 3.987 8.639 272 HB THR 42 HB THR 42 -8.201 6.782 7.499 273 HG1 THR 42 1HG THR 42 -9.494 7.069 9.337 274 HG21 THR 42 3HG2 THR 42 -10.479 6.197 7.117 275 HG22 THR 42 1HG2 THR 42 -9.602 4.816 6.493 276 HG23 THR 42 2HG2 THR 42 -10.355 4.700 8.080 277 H GLY 43 H GLY 43 -5.614 6.069 6.633 278 HA2 GLY 43 1HA GLY 43 -5.945 5.035 4.062 279 HA3 GLY 43 2HA GLY 43 -4.441 5.562 4.767 280 H ASN 44 H ASN 44 -3.937 3.855 6.743 281 HA ASN 44 HA ASN 44 -2.673 1.722 5.441 282 HB2 ASN 44 1HB ASN 44 -1.988 2.665 7.634 283 HB3 ASN 44 2HB ASN 44 -3.364 1.892 8.401 284 HD21 ASN 44 1HD2 ASN 44 -0.521 1.238 6.353 285 HD22 ASN 44 2HD2 ASN 44 -0.187 -0.308 7.096 286 H THR 45 H THR 45 -5.619 1.739 7.503 287 HA THR 45 HA THR 45 -6.187 -0.912 7.478 288 HB THR 45 HB THR 45 -8.332 1.208 7.303 289 HG1 THR 45 1HG THR 45 -7.859 1.819 9.334 290 HG21 THR 45 3HG2 THR 45 -9.462 -0.178 9.017 291 HG22 THR 45 1HG2 THR 45 -9.158 -1.090 7.526 292 HG23 THR 45 2HG2 THR 45 -8.117 -1.345 8.948 293 H MET 46 H MET 46 -7.504 1.469 4.980 294 HA MET 46 HA MET 46 -8.874 -0.787 3.775 295 HB2 MET 46 1HB MET 46 -8.713 1.948 2.435 296 HB3 MET 46 2HB MET 46 -9.653 0.545 2.016 297 HG2 MET 46 1HG MET 46 -10.441 0.578 4.501 298 HG3 MET 46 2HG MET 46 -9.840 2.241 4.510 299 HE1 MET 46 3HE MET 46 -13.415 0.542 2.101 300 HE2 MET 46 1HE MET 46 -11.810 0.503 1.342 301 HE3 MET 46 2HE MET 46 -12.105 -0.389 2.857 302 H CYS 47 H CYS 47 -5.706 0.678 3.203 303 HA CYS 47 HA CYS 47 -5.098 -0.738 0.791 304 HB2 CYS 47 1HB CYS 47 -3.726 1.078 1.724 305 HB3 CYS 47 2HB CYS 47 -3.291 0.079 3.099 306 H LEU 48 H LEU 48 -4.613 -1.679 4.262 307 HA LEU 48 HA LEU 48 -3.645 -4.250 3.772 308 HB2 LEU 48 1HB LEU 48 -5.322 -3.145 6.058 309 HB3 LEU 48 2HB LEU 48 -4.678 -4.769 6.025 310 HG LEU 48 HG LEU 48 -3.005 -2.228 6.010 311 HD11 LEU 48 1HD1 LEU 48 -3.506 -4.339 8.164 312 HD12 LEU 48 2HD1 LEU 48 -2.381 -2.976 8.291 313 HD13 LEU 48 3HD1 LEU 48 -4.111 -2.661 8.164 314 HD21 LEU 48 3HD2 LEU 48 -1.801 -3.997 4.811 315 HD22 LEU 48 1HD2 LEU 48 -1.088 -3.709 6.390 316 HD23 LEU 48 2HD2 LEU 48 -2.116 -5.140 6.146 317 H LEU 49 H LEU 49 -7.040 -3.177 4.176 318 HA LEU 49 HA LEU 49 -8.257 -5.692 3.832 319 HB2 LEU 49 1HB LEU 49 -9.141 -2.891 3.722 320 HB3 LEU 49 2HB LEU 49 -9.983 -3.864 2.539 321 HG LEU 49 HG LEU 49 -10.452 -5.540 4.436 322 HD11 LEU 49 1HD1 LEU 49 -10.401 -4.635 6.720 323 HD12 LEU 49 2HD1 LEU 49 -8.766 -4.614 6.035 324 HD13 LEU 49 3HD1 LEU 49 -9.695 -3.111 6.119 325 HD21 LEU 49 3HD2 LEU 49 -12.377 -4.203 5.261 326 HD22 LEU 49 1HD2 LEU 49 -11.661 -2.754 4.501 327 HD23 LEU 49 2HD2 LEU 49 -12.191 -4.123 3.503 328 H GLN 50 H GLN 50 -7.410 -3.338 1.193 329 HA GLN 50 HA GLN 50 -8.560 -4.961 -0.842 330 HB2 GLN 50 1HB GLN 50 -8.103 -2.507 -0.959 331 HB3 GLN 50 2HB GLN 50 -6.377 -2.849 -1.038 332 HG2 GLN 50 1HG GLN 50 -7.109 -2.454 -3.277 333 HG3 GLN 50 2HG GLN 50 -6.821 -4.186 -3.167 334 HE21 GLN 50 1HE2 GLN 50 -8.374 -5.339 -4.288 335 HE22 GLN 50 2HE2 GLN 50 -10.064 -4.901 -4.364 336 H ALA 51 H ALA 51 -5.125 -4.592 0.255 337 HA ALA 51 HA ALA 51 -3.993 -6.460 -1.597 338 HB1 ALA 51 1HB ALA 51 -3.130 -5.486 1.170 339 HB2 ALA 51 2HB ALA 51 -2.124 -6.529 0.145 340 HB3 ALA 51 3HB ALA 51 -2.555 -4.903 -0.395 341 H GLY 52 H GLY 52 -5.479 -6.843 1.621 342 HA2 GLY 52 1HA GLY 52 -4.794 -9.669 1.849 343 HA3 GLY 52 2HA GLY 52 -5.595 -8.639 3.019 344 H ALA 53 H ALA 53 -6.915 -8.622 -0.228 345 HA ALA 53 HA ALA 53 -9.474 -8.843 0.645 346 HB1 ALA 53 1HB ALA 53 -10.100 -9.346 -1.729 347 HB2 ALA 53 2HB ALA 53 -8.981 -7.987 -1.538 348 HB3 ALA 53 3HB ALA 53 -8.375 -9.566 -2.098 349 H ALA 54 H ALA 54 -7.885 -11.625 -1.050 350 HA ALA 54 HA ALA 54 -8.809 -13.518 0.867 351 HB1 ALA 54 1HB ALA 54 -11.019 -13.419 -0.070 352 HB2 ALA 54 2HB ALA 54 -10.386 -13.376 -1.739 353 HB3 ALA 54 3HB ALA 54 -10.269 -14.846 -0.775 354 H GLY 55 H GLY 55 -6.631 -14.039 0.774 355 HA2 GLY 55 1HA GLY 55 -4.820 -15.253 0.156 356 HA3 GLY 55 2HA GLY 55 -5.970 -16.322 -0.663 357 H SER 56 H SER 56 -5.130 -12.934 -1.396 358 HA SER 56 HA SER 56 -5.175 -13.345 -4.167 359 HB2 SER 56 1HB SER 56 -4.000 -10.972 -2.660 360 HB3 SER 56 2HB SER 56 -4.798 -10.990 -4.245 361 HG SER 56 HG SER 56 -6.710 -11.607 -3.223 362 H GLY 57 H GLY 57 -2.249 -12.192 -2.335 363 HA2 GLY 57 1HA GLY 57 -0.464 -14.185 -2.643 364 HA3 GLY 57 2HA GLY 57 -0.543 -13.575 -4.295 365 H CYS 58 H CYS 58 -0.443 -11.868 -1.059 366 HA CYS 58 HA CYS 58 1.674 -10.131 -2.247 367 HB2 CYS 58 1HB CYS 58 -0.742 -9.493 -0.555 368 HB3 CYS 58 2HB CYS 58 0.617 -8.418 -0.660 369 H ASP 59 H ASP 59 2.840 -8.868 -0.498 370 HA ASP 59 HA ASP 59 4.299 -10.723 1.197 371 HB2 ASP 59 1HB ASP 59 5.382 -9.090 -0.283 372 HB3 ASP 59 2HB ASP 59 4.579 -7.758 0.541 373 H MET 60 H MET 60 1.934 -10.891 2.362 374 HA MET 60 HA MET 60 1.562 -8.867 4.463 375 HB2 MET 60 1HB MET 60 0.376 -11.662 4.362 376 HB3 MET 60 2HB MET 60 -0.080 -10.316 5.400 377 HG2 MET 60 1HG MET 60 -1.767 -10.278 3.851 378 HG3 MET 60 2HG MET 60 -0.677 -9.046 3.227 379 HE1 MET 60 3HE MET 60 -2.523 -9.520 1.197 380 HE2 MET 60 1HE MET 60 -2.572 -11.033 0.253 381 HE3 MET 60 2HE MET 60 -3.145 -11.019 1.935 382 H GLU 61 H GLU 61 1.641 -9.527 6.752 383 HA GLU 61 HA GLU 61 3.456 -11.755 7.421 384 HB2 GLU 61 1HB GLU 61 2.847 -9.195 8.976 385 HB3 GLU 61 2HB GLU 61 3.327 -10.701 9.761 386 HG2 GLU 61 1HG GLU 61 5.402 -10.729 8.361 387 HG3 GLU 61 2HG GLU 61 4.969 -9.131 7.740 Start of MODEL 15 1 H1 TYR 1 H TYR 1 -13.918 5.527 2.522 2 HA TYR 1 HA TYR 1 -13.087 8.379 2.618 3 HB2 TYR 1 1HB TYR 1 -13.003 7.370 4.820 4 HB3 TYR 1 2HB TYR 1 -12.244 5.922 4.196 5 HD1 TYR 1 1HD TYR 1 -11.596 9.603 4.667 6 HD2 TYR 1 2HD TYR 1 -9.898 5.663 4.217 7 HE1 TYR 1 1HE TYR 1 -9.415 10.453 5.454 8 HE2 TYR 1 2HE TYR 1 -7.726 6.508 4.911 9 HH TYR 1 HH TYR 1 -7.151 9.986 5.732 10 H ASN 2 H ASN 2 -11.440 8.915 1.140 11 HA ASN 2 HA ASN 2 -10.365 6.787 -0.597 12 HB2 ASN 2 1HB ASN 2 -9.321 9.627 -0.361 13 HB3 ASN 2 2HB ASN 2 -9.015 8.471 -1.633 14 HD21 ASN 2 1HD2 ASN 2 -10.480 11.257 -1.142 15 HD22 ASN 2 2HD2 ASN 2 -11.857 11.165 -2.211 16 HA PRO 3 HA PRO 3 -7.212 5.904 2.622 17 HB2 PRO 3 1HB PRO 3 -5.682 5.143 0.125 18 HB3 PRO 3 2HB PRO 3 -5.782 4.283 1.689 19 HG2 PRO 3 1HG PRO 3 -7.271 3.568 -0.514 20 HG3 PRO 3 2HG PRO 3 -7.904 3.407 1.143 21 HD2 PRO 3 1HD PRO 3 -8.582 5.383 -0.973 22 HD3 PRO 3 2HD PRO 3 -9.527 4.743 0.414 23 H GLU 4 H GLU 4 -6.239 7.209 -0.506 24 HA GLU 4 HA GLU 4 -3.929 8.402 -0.161 25 HB2 GLU 4 1HB GLU 4 -6.344 9.228 -1.839 26 HB3 GLU 4 2HB GLU 4 -4.767 9.965 -2.091 27 HG2 GLU 4 1HG GLU 4 -3.733 7.918 -2.743 28 HG3 GLU 4 2HG GLU 4 -5.101 6.965 -2.155 29 H ASP 5 H ASP 5 -6.449 9.535 1.687 30 HA ASP 5 HA ASP 5 -5.738 12.371 1.919 31 HB2 ASP 5 1HB ASP 5 -7.970 11.841 2.520 32 HB3 ASP 5 2HB ASP 5 -7.469 10.415 3.436 33 H ASP 6 H ASP 6 -4.797 9.200 3.213 34 HA ASP 6 HA ASP 6 -3.155 10.119 5.421 35 HB2 ASP 6 1HB ASP 6 -2.720 7.904 5.771 36 HB3 ASP 6 2HB ASP 6 -4.394 7.920 5.217 37 H TYR 7 H TYR 7 -2.658 9.551 2.051 38 HA TYR 7 HA TYR 7 -0.578 8.138 1.990 39 HB2 TYR 7 1HB TYR 7 -1.611 8.351 -0.065 40 HB3 TYR 7 2HB TYR 7 -1.591 10.110 -0.027 41 HD1 TYR 7 2HD TYR 7 0.681 7.119 -0.473 42 HD2 TYR 7 1HD TYR 7 0.178 11.363 -0.923 43 HE1 TYR 7 2HE TYR 7 2.709 7.211 -1.898 44 HE2 TYR 7 1HE TYR 7 2.216 11.474 -2.341 45 HH TYR 7 HH TYR 7 4.075 8.531 -3.201 46 H THR 8 H THR 8 1.503 8.177 2.433 47 HA THR 8 HA THR 8 2.520 10.808 3.127 48 HB THR 8 HB THR 8 3.960 9.706 4.705 49 HG1 THR 8 1HG THR 8 2.835 7.256 3.802 50 HG21 THR 8 3HG2 THR 8 2.369 8.767 6.237 51 HG22 THR 8 1HG2 THR 8 1.600 10.128 5.408 52 HG23 THR 8 2HG2 THR 8 1.181 8.458 4.969 53 HA PRO 9 HA PRO 9 5.102 9.843 -0.570 54 HB2 PRO 9 1HB PRO 9 5.995 12.321 -1.175 55 HB3 PRO 9 2HB PRO 9 4.327 11.796 -1.552 56 HG2 PRO 9 1HG PRO 9 5.278 13.428 0.829 57 HG3 PRO 9 2HG PRO 9 3.868 13.746 -0.231 58 HD2 PRO 9 1HD PRO 9 3.594 12.497 2.166 59 HD3 PRO 9 2HD PRO 9 2.636 11.992 0.736 60 H LEU 10 H LEU 10 6.181 10.815 2.498 61 HA LEU 10 HA LEU 10 8.695 12.045 1.823 62 HB2 LEU 10 1HB LEU 10 7.841 10.887 4.489 63 HB3 LEU 10 2HB LEU 10 9.046 12.131 4.184 64 HG LEU 10 HG LEU 10 6.030 12.374 3.830 65 HD11 LEU 10 1HD1 LEU 10 6.148 13.904 5.692 66 HD12 LEU 10 2HD1 LEU 10 6.891 12.385 6.150 67 HD13 LEU 10 3HD1 LEU 10 7.916 13.788 5.763 68 HD21 LEU 10 3HD2 LEU 10 7.234 13.742 2.084 69 HD22 LEU 10 1HD2 LEU 10 6.302 14.691 3.228 70 HD23 LEU 10 2HD2 LEU 10 8.071 14.594 3.392 71 H THR 11 H THR 11 7.685 8.837 2.739 72 HA THR 11 HA THR 11 10.378 7.757 2.102 73 HB THR 11 HB THR 11 9.853 6.050 3.922 74 HG1 THR 11 1HG THR 11 8.373 6.869 5.553 75 HG21 THR 11 3HG2 THR 11 10.118 8.930 4.882 76 HG22 THR 11 1HG2 THR 11 10.634 7.472 5.743 77 HG23 THR 11 2HG2 THR 11 11.453 7.938 4.246 78 H CYS 12 H CYS 12 7.211 7.892 0.933 79 HA CYS 12 HA CYS 12 6.940 5.023 0.447 80 HB2 CYS 12 1HB CYS 12 4.952 6.405 0.734 81 HB3 CYS 12 2HB CYS 12 5.384 7.348 -0.703 82 HA PRO 13 HA PRO 13 9.593 5.600 -3.200 83 HB2 PRO 13 1HB PRO 13 9.760 2.954 -4.003 84 HB3 PRO 13 2HB PRO 13 10.694 3.683 -2.658 85 HG2 PRO 13 1HG PRO 13 8.203 2.009 -2.561 86 HG3 PRO 13 2HG PRO 13 9.617 1.936 -1.497 87 HD2 PRO 13 1HD PRO 13 7.273 3.231 -0.853 88 HD3 PRO 13 2HD PRO 13 8.875 3.709 -0.221 89 H HIS 14 H HIS 14 6.434 5.662 -3.331 90 HA HIS 14 HA HIS 14 6.221 5.320 -6.242 91 HB2 HIS 14 1HB HIS 14 3.951 4.298 -4.539 92 HB3 HIS 14 2HB HIS 14 4.227 3.926 -6.213 93 HD1 HIS 14 1HD HIS 14 6.257 2.018 -6.695 94 HD2 HIS 14 2HD HIS 14 4.962 2.715 -2.736 95 HE1 HIS 14 1HE HIS 14 6.822 -0.072 -5.298 96 HE2 HIS 14 2HE HIS 14 6.108 0.398 -2.924 97 H THR 15 H THR 15 4.638 6.686 -7.104 98 HA THR 15 HA THR 15 4.236 9.152 -5.570 99 HB THR 15 HB THR 15 3.411 9.948 -7.800 100 HG1 THR 15 1HG THR 15 4.237 7.371 -8.695 101 HG21 THR 15 3HG2 THR 15 5.771 10.151 -7.206 102 HG22 THR 15 1HG2 THR 15 6.112 8.523 -7.831 103 HG23 THR 15 2HG2 THR 15 5.589 9.812 -8.940 104 H ILE 16 H ILE 16 2.095 10.188 -5.417 105 HA ILE 16 HA ILE 16 -0.052 8.432 -4.793 106 HB ILE 16 HB ILE 16 0.380 10.800 -4.038 107 HG12 ILE 16 1HG1 ILE 16 -2.466 9.954 -4.776 108 HG13 ILE 16 2HG1 ILE 16 -1.562 9.496 -3.339 109 HG21 ILE 16 1HG2 ILE 16 -0.511 12.657 -5.223 110 HG22 ILE 16 2HG2 ILE 16 0.511 11.758 -6.352 111 HG23 ILE 16 3HG2 ILE 16 -1.261 11.618 -6.446 112 HD11 ILE 16 3HD1 ILE 16 -2.498 12.306 -4.045 113 HD12 ILE 16 1HD1 ILE 16 -3.112 11.259 -2.764 114 HD13 ILE 16 2HD1 ILE 16 -1.470 11.896 -2.649 115 H SER 17 H SER 17 1.168 9.236 -7.850 116 HA SER 17 HA SER 17 -1.232 9.101 -9.434 117 HB2 SER 17 1HB SER 17 0.896 9.975 -10.279 118 HB3 SER 17 2HB SER 17 1.637 8.374 -10.114 119 HG SER 17 HG SER 17 -0.604 8.891 -11.764 120 H VAL 18 H VAL 18 1.064 6.678 -8.071 121 HA VAL 18 HA VAL 18 -0.819 4.484 -8.677 122 HB VAL 18 HB VAL 18 0.846 3.208 -9.871 123 HG11 VAL 18 1HG1 VAL 18 0.935 4.404 -11.969 124 HG12 VAL 18 2HG1 VAL 18 -0.611 4.779 -11.192 125 HG13 VAL 18 3HG1 VAL 18 0.706 5.955 -11.163 126 HG21 VAL 18 3HG2 VAL 18 2.574 5.354 -8.855 127 HG22 VAL 18 1HG2 VAL 18 2.921 3.700 -9.238 128 HG23 VAL 18 2HG2 VAL 18 2.949 4.880 -10.574 129 H VAL 19 H VAL 19 -0.709 5.108 -6.402 130 HA VAL 19 HA VAL 19 1.260 3.349 -5.059 131 HB VAL 19 HB VAL 19 1.457 5.617 -4.352 132 HG11 VAL 19 1HG1 VAL 19 -0.233 6.819 -3.095 133 HG12 VAL 19 2HG1 VAL 19 -0.882 6.381 -4.682 134 HG13 VAL 19 3HG1 VAL 19 -1.374 5.474 -3.241 135 HG21 VAL 19 3HG2 VAL 19 0.412 3.885 -2.118 136 HG22 VAL 19 1HG2 VAL 19 2.055 3.888 -2.764 137 HG23 VAL 19 2HG2 VAL 19 1.422 5.318 -1.934 138 H TRP 20 H TRP 20 -2.279 3.895 -5.435 139 HA TRP 20 HA TRP 20 -3.056 2.055 -3.363 140 HB2 TRP 20 1HB TRP 20 -4.581 3.798 -4.226 141 HB3 TRP 20 2HB TRP 20 -4.576 3.059 -5.820 142 HD1 TRP 20 HD TRP 20 -6.554 1.495 -6.275 143 HE1 TRP 20 1HE TRP 20 -8.239 0.180 -4.879 144 HE3 TRP 20 3HE TRP 20 -4.649 2.463 -1.635 145 HZ2 TRP 20 2HZ TRP 20 -8.734 -0.347 -2.075 146 HZ3 TRP 20 3HZ TRP 20 -5.762 1.601 0.380 147 HH2 TRP 20 HH TRP 20 -7.845 0.225 0.183 148 H TYR 21 H TYR 21 -3.259 1.701 -6.939 149 HA TYR 21 HA TYR 21 -3.603 -1.085 -7.112 150 HB2 TYR 21 1HB TYR 21 -3.712 -0.073 -9.195 151 HB3 TYR 21 2HB TYR 21 -2.419 1.065 -8.833 152 HD1 TYR 21 2HD TYR 21 -3.111 -2.412 -9.948 153 HD2 TYR 21 1HD TYR 21 -0.110 0.625 -9.342 154 HE1 TYR 21 2HE TYR 21 -1.451 -3.854 -11.053 155 HE2 TYR 21 1HE TYR 21 1.606 -0.863 -10.357 156 HH TYR 21 HH TYR 21 0.868 -4.117 -11.600 157 H GLU 22 H GLU 22 -0.577 0.810 -6.680 158 HA GLU 22 HA GLU 22 1.134 -1.323 -7.290 159 HB2 GLU 22 1HB GLU 22 2.473 0.584 -7.447 160 HB3 GLU 22 2HB GLU 22 1.097 1.467 -6.885 161 HG2 GLU 22 1HG GLU 22 2.952 1.988 -5.568 162 HG3 GLU 22 2HG GLU 22 1.848 1.099 -4.538 163 H CYS 23 H CYS 23 -0.460 -0.319 -4.206 164 HA CYS 23 HA CYS 23 1.400 -2.004 -2.674 165 HB2 CYS 23 1HB CYS 23 0.668 0.504 -2.243 166 HB3 CYS 23 2HB CYS 23 -0.752 -0.230 -1.546 167 H THR 24 H THR 24 -1.562 -2.300 -4.257 168 HA THR 24 HA THR 24 -2.538 -4.231 -2.262 169 HB THR 24 HB THR 24 -4.816 -3.483 -2.708 170 HG1 THR 24 1HG THR 24 -3.730 -1.389 -4.248 171 HG21 THR 24 3HG2 THR 24 -4.722 -1.219 -1.770 172 HG22 THR 24 1HG2 THR 24 -3.591 -2.302 -0.931 173 HG23 THR 24 2HG2 THR 24 -2.994 -1.105 -2.087 174 H GLU 25 H GLU 25 -1.531 -3.881 -5.487 175 HA GLU 25 HA GLU 25 -2.850 -6.410 -6.314 176 HB2 GLU 25 1HB GLU 25 -3.804 -4.155 -7.098 177 HB3 GLU 25 2HB GLU 25 -2.365 -3.970 -8.071 178 HG2 GLU 25 1HG GLU 25 -2.942 -5.590 -9.575 179 HG3 GLU 25 2HG GLU 25 -3.771 -6.580 -8.370 180 H ASN 26 H ASN 26 -0.221 -4.134 -7.005 181 HA ASN 26 HA ASN 26 1.333 -5.836 -8.733 182 HB2 ASN 26 1HB ASN 26 1.677 -3.458 -8.777 183 HB3 ASN 26 2HB ASN 26 2.039 -3.454 -7.055 184 HD21 ASN 26 1HD2 ASN 26 3.990 -2.312 -7.348 185 HD22 ASN 26 2HD2 ASN 26 5.400 -3.135 -7.946 186 H THR 27 H THR 27 1.453 -7.914 -7.757 187 HA THR 27 HA THR 27 2.297 -8.509 -5.171 188 HB THR 27 HB THR 27 2.776 -10.800 -6.197 189 HG1 THR 27 1HG THR 27 1.633 -10.880 -8.289 190 HG21 THR 27 3HG2 THR 27 0.488 -11.337 -6.323 191 HG22 THR 27 1HG2 THR 27 0.526 -9.934 -5.262 192 HG23 THR 27 2HG2 THR 27 0.050 -9.735 -6.962 193 H ALA 28 H ALA 28 4.356 -7.151 -7.517 194 HA ALA 28 HA ALA 28 6.853 -8.296 -6.724 195 HB1 ALA 28 1HB ALA 28 6.225 -5.383 -7.366 196 HB2 ALA 28 2HB ALA 28 7.803 -6.167 -7.402 197 HB3 ALA 28 3HB ALA 28 6.551 -6.645 -8.584 198 H ASN 29 H ASN 29 4.728 -5.773 -5.215 199 HA ASN 29 HA ASN 29 6.379 -6.046 -2.765 200 HB2 ASN 29 1HB ASN 29 7.393 -4.013 -2.767 201 HB3 ASN 29 2HB ASN 29 7.180 -4.138 -4.527 202 HD21 ASN 29 1HD2 ASN 29 4.742 -3.515 -5.245 203 HD22 ASN 29 2HD2 ASN 29 4.599 -1.858 -4.719 204 H CYS 30 H CYS 30 3.200 -5.653 -4.007 205 HA CYS 30 HA CYS 30 2.075 -4.105 -1.929 206 HB2 CYS 30 1HB CYS 30 -0.004 -5.231 -2.497 207 HB3 CYS 30 2HB CYS 30 0.864 -4.753 -3.953 208 H GLY 31 H GLY 31 0.875 -4.819 0.018 209 HA2 GLY 31 1HA GLY 31 0.500 -7.106 1.281 210 HA3 GLY 31 2HA GLY 31 2.252 -7.064 1.359 211 H THR 32 H THR 32 1.499 -7.225 3.631 212 HA THR 32 HA THR 32 0.277 -5.169 5.043 213 HB THR 32 HB THR 32 2.162 -7.307 6.024 214 HG1 THR 32 1HG THR 32 -0.343 -7.222 5.046 215 HG21 THR 32 3HG2 THR 32 1.889 -5.513 7.737 216 HG22 THR 32 1HG2 THR 32 0.125 -5.577 7.523 217 HG23 THR 32 2HG2 THR 32 0.994 -6.967 8.198 218 H ALA 33 H ALA 33 3.791 -5.886 4.710 219 HA ALA 33 HA ALA 33 4.670 -3.583 6.135 220 HB1 ALA 33 1HB ALA 33 6.153 -5.491 5.700 221 HB2 ALA 33 2HB ALA 33 6.094 -5.172 3.957 222 HB3 ALA 33 3HB ALA 33 6.855 -4.013 5.042 223 H CYS 34 H CYS 34 3.794 -3.960 2.718 224 HA CYS 34 HA CYS 34 4.781 -1.398 1.842 225 HB2 CYS 34 1HB CYS 34 4.213 -3.160 0.305 226 HB3 CYS 34 2HB CYS 34 2.514 -3.132 0.782 227 H CYS 35 H CYS 35 1.470 -2.456 2.830 228 HA CYS 35 HA CYS 35 0.331 0.163 2.726 229 HB2 CYS 35 1HB CYS 35 -0.414 -2.323 4.311 230 HB3 CYS 35 2HB CYS 35 -1.420 -0.882 4.210 231 H ASP 36 H ASP 36 2.139 -1.538 5.213 232 HA ASP 36 HA ASP 36 1.728 0.371 7.364 233 HB2 ASP 36 1HB ASP 36 2.010 -2.148 7.420 234 HB3 ASP 36 2HB ASP 36 3.712 -1.898 7.011 235 H SER 37 H SER 37 3.423 0.672 4.563 236 HA SER 37 HA SER 37 5.440 2.534 5.767 237 HB2 SER 37 1HB SER 37 5.460 0.922 3.193 238 HB3 SER 37 2HB SER 37 6.491 2.335 3.426 239 HG SER 37 HG SER 37 6.418 0.458 5.483 240 H CYS 38 H CYS 38 3.473 2.279 2.715 241 HA CYS 38 HA CYS 38 3.876 5.135 2.259 242 HB2 CYS 38 1HB CYS 38 2.221 2.992 0.876 243 HB3 CYS 38 2HB CYS 38 2.300 4.663 0.334 244 H PHE 39 H PHE 39 1.383 3.235 3.817 245 HA PHE 39 HA PHE 39 -0.566 5.461 3.680 246 HB2 PHE 39 1HB PHE 39 -0.881 2.426 3.666 247 HB3 PHE 39 2HB PHE 39 -2.187 3.498 4.013 248 HD1 PHE 39 2HD PHE 39 -3.069 5.049 2.147 249 HD2 PHE 39 1HD PHE 39 -0.126 1.981 1.417 250 HE1 PHE 39 2HE PHE 39 -3.379 5.360 -0.246 251 HE2 PHE 39 1HE PHE 39 -0.620 2.106 -0.978 252 HZ PHE 39 HZ PHE 39 -2.233 3.797 -1.844 253 H GLU 40 H GLU 40 -1.878 5.644 5.685 254 HA GLU 40 HA GLU 40 -0.698 4.385 8.088 255 HB2 GLU 40 1HB GLU 40 -1.255 7.349 7.937 256 HB3 GLU 40 2HB GLU 40 -0.527 6.486 9.285 257 HG2 GLU 40 1HG GLU 40 1.457 6.058 7.767 258 HG3 GLU 40 2HG GLU 40 0.661 7.210 6.648 259 H LEU 41 H LEU 41 -1.997 4.653 9.957 260 HA LEU 41 HA LEU 41 -3.952 4.386 11.105 261 HB2 LEU 41 1HB LEU 41 -4.568 6.974 9.642 262 HB3 LEU 41 2HB LEU 41 -5.282 6.457 11.171 263 HG LEU 41 HG LEU 41 -2.312 7.054 10.743 264 HD11 LEU 41 1HD1 LEU 41 -3.645 9.062 10.483 265 HD12 LEU 41 2HD1 LEU 41 -4.474 8.753 12.032 266 HD13 LEU 41 3HD1 LEU 41 -2.726 9.110 11.991 267 HD21 LEU 41 3HD2 LEU 41 -2.214 7.053 13.224 268 HD22 LEU 41 1HD2 LEU 41 -3.901 6.481 13.280 269 HD23 LEU 41 2HD2 LEU 41 -2.617 5.471 12.566 270 H THR 42 H THR 42 -6.386 5.940 9.280 271 HA THR 42 HA THR 42 -7.599 3.342 8.783 272 HB THR 42 HB THR 42 -8.550 6.166 8.230 273 HG1 THR 42 1HG THR 42 -9.101 4.193 10.207 274 HG21 THR 42 3HG2 THR 42 -10.796 5.102 8.032 275 HG22 THR 42 1HG2 THR 42 -9.719 4.712 6.688 276 HG23 THR 42 2HG2 THR 42 -10.004 3.514 7.963 277 H GLY 43 H GLY 43 -5.709 5.631 6.792 278 HA2 GLY 43 1HA GLY 43 -6.641 4.574 4.261 279 HA3 GLY 43 2HA GLY 43 -5.202 5.536 4.551 280 H ASN 44 H ASN 44 -3.989 3.893 6.504 281 HA ASN 44 HA ASN 44 -2.678 1.752 5.202 282 HB2 ASN 44 1HB ASN 44 -1.614 2.590 7.086 283 HB3 ASN 44 2HB ASN 44 -3.056 2.487 8.097 284 HD21 ASN 44 1HD2 ASN 44 -0.505 0.663 6.549 285 HD22 ASN 44 2HD2 ASN 44 -0.654 -0.739 7.631 286 H THR 45 H THR 45 -5.408 1.754 7.530 287 HA THR 45 HA THR 45 -5.832 -1.023 7.439 288 HB THR 45 HB THR 45 -8.044 0.988 7.793 289 HG1 THR 45 1HG THR 45 -6.153 1.389 9.242 290 HG21 THR 45 3HG2 THR 45 -7.618 -1.836 8.852 291 HG22 THR 45 1HG2 THR 45 -8.905 -0.748 9.396 292 HG23 THR 45 2HG2 THR 45 -8.870 -1.284 7.719 293 H MET 46 H MET 46 -7.228 1.514 5.299 294 HA MET 46 HA MET 46 -8.906 -0.359 3.890 295 HB2 MET 46 1HB MET 46 -8.016 2.462 3.094 296 HB3 MET 46 2HB MET 46 -9.159 1.429 2.214 297 HG2 MET 46 1HG MET 46 -10.432 1.226 4.464 298 HG3 MET 46 2HG MET 46 -9.430 2.572 5.001 299 HE1 MET 46 3HE MET 46 -11.497 1.574 1.783 300 HE2 MET 46 1HE MET 46 -12.606 1.459 3.169 301 HE3 MET 46 2HE MET 46 -12.854 2.713 1.932 302 H CYS 47 H CYS 47 -5.573 0.866 3.296 303 HA CYS 47 HA CYS 47 -5.085 -0.490 0.850 304 HB2 CYS 47 1HB CYS 47 -3.630 1.232 1.779 305 HB3 CYS 47 2HB CYS 47 -3.217 0.211 3.144 306 H LEU 48 H LEU 48 -4.418 -1.622 4.210 307 HA LEU 48 HA LEU 48 -3.564 -4.211 3.632 308 HB2 LEU 48 1HB LEU 48 -5.207 -3.093 5.939 309 HB3 LEU 48 2HB LEU 48 -4.579 -4.729 5.917 310 HG LEU 48 HG LEU 48 -2.812 -2.259 5.708 311 HD11 LEU 48 1HD1 LEU 48 -2.285 -2.670 8.087 312 HD12 LEU 48 2HD1 LEU 48 -3.978 -2.243 7.863 313 HD13 LEU 48 3HD1 LEU 48 -3.525 -3.935 8.155 314 HD21 LEU 48 3HD2 LEU 48 -1.017 -3.796 6.363 315 HD22 LEU 48 1HD2 LEU 48 -2.150 -5.165 6.327 316 HD23 LEU 48 2HD2 LEU 48 -1.749 -4.289 4.833 317 H LEU 49 H LEU 49 -6.872 -2.984 4.107 318 HA LEU 49 HA LEU 49 -8.318 -5.372 3.829 319 HB2 LEU 49 1HB LEU 49 -8.873 -2.612 3.983 320 HB3 LEU 49 2HB LEU 49 -9.614 -3.073 2.482 321 HG LEU 49 HG LEU 49 -10.086 -4.702 5.005 322 HD11 LEU 49 1HD1 LEU 49 -10.463 -2.397 5.651 323 HD12 LEU 49 2HD1 LEU 49 -11.467 -2.112 4.210 324 HD13 LEU 49 3HD1 LEU 49 -12.021 -3.227 5.478 325 HD21 LEU 49 3HD2 LEU 49 -11.741 -4.167 2.501 326 HD22 LEU 49 1HD2 LEU 49 -10.897 -5.672 2.908 327 HD23 LEU 49 2HD2 LEU 49 -12.275 -5.141 3.885 328 H GLN 50 H GLN 50 -7.326 -3.143 1.149 329 HA GLN 50 HA GLN 50 -8.530 -4.739 -0.893 330 HB2 GLN 50 1HB GLN 50 -7.702 -2.260 -0.903 331 HB3 GLN 50 2HB GLN 50 -6.160 -2.865 -1.209 332 HG2 GLN 50 1HG GLN 50 -7.199 -2.262 -3.334 333 HG3 GLN 50 2HG GLN 50 -6.953 -4.007 -3.279 334 HE21 GLN 50 1HE2 GLN 50 -8.750 -5.348 -3.611 335 HE22 GLN 50 2HE2 GLN 50 -10.405 -4.755 -3.592 336 H ALA 51 H ALA 51 -5.243 -4.296 0.204 337 HA ALA 51 HA ALA 51 -3.837 -5.978 -1.545 338 HB1 ALA 51 1HB ALA 51 -3.205 -5.475 1.398 339 HB2 ALA 51 2HB ALA 51 -2.059 -6.048 0.164 340 HB3 ALA 51 3HB ALA 51 -2.742 -4.415 0.054 341 H GLY 52 H GLY 52 -5.629 -6.957 1.370 342 HA2 GLY 52 1HA GLY 52 -4.961 -9.818 0.829 343 HA3 GLY 52 2HA GLY 52 -5.592 -9.131 2.323 344 H ALA 53 H ALA 53 -7.268 -7.872 -0.434 345 HA ALA 53 HA ALA 53 -9.714 -8.526 0.704 346 HB1 ALA 53 1HB ALA 53 -10.709 -7.850 -1.491 347 HB2 ALA 53 2HB ALA 53 -9.525 -6.699 -0.864 348 HB3 ALA 53 3HB ALA 53 -9.079 -7.795 -2.191 349 H ALA 54 H ALA 54 -8.592 -9.854 -2.372 350 HA ALA 54 HA ALA 54 -8.800 -12.603 -1.890 351 HB1 ALA 54 1HB ALA 54 -11.209 -11.281 -3.253 352 HB2 ALA 54 2HB ALA 54 -10.782 -12.981 -3.496 353 HB3 ALA 54 3HB ALA 54 -11.234 -12.404 -1.880 354 H GLY 55 H GLY 55 -8.021 -13.653 -3.874 355 HA2 GLY 55 1HA GLY 55 -7.285 -13.802 -6.051 356 HA3 GLY 55 2HA GLY 55 -7.767 -12.135 -6.360 357 H SER 56 H SER 56 -6.359 -10.754 -4.371 358 HA SER 56 HA SER 56 -3.880 -10.413 -5.524 359 HB2 SER 56 1HB SER 56 -4.798 -9.765 -2.686 360 HB3 SER 56 2HB SER 56 -3.336 -9.114 -3.433 361 HG SER 56 HG SER 56 -4.574 -7.610 -4.081 362 H GLY 57 H GLY 57 -1.776 -10.728 -4.768 363 HA2 GLY 57 1HA GLY 57 -1.239 -13.223 -3.216 364 HA3 GLY 57 2HA GLY 57 -0.499 -12.848 -4.768 365 H CYS 58 H CYS 58 -1.190 -10.932 -1.840 366 HA CYS 58 HA CYS 58 1.407 -9.541 -2.131 367 HB2 CYS 58 1HB CYS 58 -1.143 -8.911 -0.587 368 HB3 CYS 58 2HB CYS 58 0.272 -7.885 -0.676 369 H ASP 59 H ASP 59 2.622 -9.096 -0.286 370 HA ASP 59 HA ASP 59 3.213 -11.292 1.439 371 HB2 ASP 59 1HB ASP 59 4.985 -9.936 0.690 372 HB3 ASP 59 2HB ASP 59 4.118 -8.447 1.025 373 H MET 60 H MET 60 1.470 -11.804 2.877 374 HA MET 60 HA MET 60 0.441 -9.577 4.564 375 HB2 MET 60 1HB MET 60 -0.882 -12.096 3.560 376 HB3 MET 60 2HB MET 60 -1.513 -11.155 4.911 377 HG2 MET 60 1HG MET 60 -0.922 -9.208 2.972 378 HG3 MET 60 2HG MET 60 -1.576 -10.531 2.042 379 HE1 MET 60 3HE MET 60 -3.990 -8.341 5.354 380 HE2 MET 60 1HE MET 60 -3.433 -9.965 5.770 381 HE3 MET 60 2HE MET 60 -2.246 -8.685 5.440 382 H GLU 61 H GLU 61 2.405 -9.773 5.651 383 HA GLU 61 HA GLU 61 4.085 -10.909 6.811 384 HB2 GLU 61 1HB GLU 61 1.839 -10.282 8.750 385 HB3 GLU 61 2HB GLU 61 3.340 -11.034 9.306 386 HG2 GLU 61 1HG GLU 61 4.565 -9.130 8.085 387 HG3 GLU 61 2HG GLU 61 3.007 -8.288 8.137 Start of MODEL 16 1 H1 TYR 1 H TYR 1 -14.392 5.956 2.324 2 HA TYR 1 HA TYR 1 -13.035 8.547 2.757 3 HB2 TYR 1 1HB TYR 1 -13.146 7.543 4.884 4 HB3 TYR 1 2HB TYR 1 -12.857 5.928 4.242 5 HD1 TYR 1 1HD TYR 1 -11.191 9.150 5.109 6 HD2 TYR 1 2HD TYR 1 -10.686 5.078 3.753 7 HE1 TYR 1 1HE TYR 1 -8.727 9.399 5.243 8 HE2 TYR 1 2HE TYR 1 -8.275 5.309 3.921 9 HH TYR 1 HH TYR 1 -6.589 7.757 5.442 10 H ASN 2 H ASN 2 -10.912 8.760 1.906 11 HA ASN 2 HA ASN 2 -10.284 6.791 -0.245 12 HB2 ASN 2 1HB ASN 2 -9.764 9.771 -0.105 13 HB3 ASN 2 2HB ASN 2 -9.074 8.700 -1.324 14 HD21 ASN 2 1HD2 ASN 2 -10.638 10.892 -2.012 15 HD22 ASN 2 2HD2 ASN 2 -12.166 10.317 -2.673 16 HA PRO 3 HA PRO 3 -6.862 6.062 2.540 17 HB2 PRO 3 1HB PRO 3 -5.231 4.549 0.863 18 HB3 PRO 3 2HB PRO 3 -6.619 3.938 1.795 19 HG2 PRO 3 1HG PRO 3 -6.520 4.722 -1.112 20 HG3 PRO 3 2HG PRO 3 -7.422 3.377 -0.334 21 HD2 PRO 3 1HD PRO 3 -8.640 5.652 -1.072 22 HD3 PRO 3 2HD PRO 3 -9.138 4.719 0.373 23 H GLU 4 H GLU 4 -6.425 7.619 -0.524 24 HA GLU 4 HA GLU 4 -3.748 8.454 -0.297 25 HB2 GLU 4 1HB GLU 4 -6.208 9.501 -1.715 26 HB3 GLU 4 2HB GLU 4 -4.622 10.266 -1.898 27 HG2 GLU 4 1HG GLU 4 -3.650 8.126 -2.691 28 HG3 GLU 4 2HG GLU 4 -5.224 7.343 -2.533 29 H ASP 5 H ASP 5 -6.386 9.431 1.749 30 HA ASP 5 HA ASP 5 -5.513 12.158 2.216 31 HB2 ASP 5 1HB ASP 5 -7.727 10.634 2.909 32 HB3 ASP 5 2HB ASP 5 -6.850 10.703 4.440 33 H ASP 6 H ASP 6 -4.686 8.978 3.477 34 HA ASP 6 HA ASP 6 -2.760 10.054 5.519 35 HB2 ASP 6 1HB ASP 6 -4.043 7.323 5.223 36 HB3 ASP 6 2HB ASP 6 -2.875 7.783 6.445 37 H TYR 7 H TYR 7 -2.515 9.715 2.449 38 HA TYR 7 HA TYR 7 -0.461 7.763 1.936 39 HB2 TYR 7 1HB TYR 7 -1.692 8.675 0.101 40 HB3 TYR 7 2HB TYR 7 -1.382 10.330 0.628 41 HD1 TYR 7 1HD TYR 7 0.746 7.326 -0.219 42 HD2 TYR 7 2HD TYR 7 -0.035 11.526 -0.808 43 HE1 TYR 7 1HE TYR 7 2.620 7.461 -1.840 44 HE2 TYR 7 2HE TYR 7 1.893 11.655 -2.375 45 HH TYR 7 HH TYR 7 3.733 8.752 -3.318 46 H THR 8 H THR 8 1.687 7.882 2.459 47 HA THR 8 HA THR 8 2.673 10.350 3.798 48 HB THR 8 HB THR 8 4.320 8.608 4.794 49 HG1 THR 8 1HG THR 8 2.114 6.930 4.325 50 HG21 THR 8 3HG2 THR 8 2.595 9.742 6.140 51 HG22 THR 8 1HG2 THR 8 1.389 8.542 5.627 52 HG23 THR 8 2HG2 THR 8 2.791 8.060 6.612 53 HA PRO 9 HA PRO 9 4.972 9.944 -0.246 54 HB2 PRO 9 1HB PRO 9 5.484 12.667 -0.519 55 HB3 PRO 9 2HB PRO 9 4.088 11.798 -1.248 56 HG2 PRO 9 1HG PRO 9 4.235 13.422 1.294 57 HG3 PRO 9 2HG PRO 9 2.907 13.368 0.089 58 HD2 PRO 9 1HD PRO 9 2.753 12.012 2.428 59 HD3 PRO 9 2HD PRO 9 2.144 11.287 0.918 60 H LEU 10 H LEU 10 5.938 11.503 2.836 61 HA LEU 10 HA LEU 10 8.493 12.416 1.865 62 HB2 LEU 10 1HB LEU 10 7.559 11.701 4.683 63 HB3 LEU 10 2HB LEU 10 9.088 12.481 4.288 64 HG LEU 10 HG LEU 10 6.313 13.651 3.803 65 HD11 LEU 10 1HD1 LEU 10 7.067 13.632 6.162 66 HD12 LEU 10 2HD1 LEU 10 8.527 14.529 5.694 67 HD13 LEU 10 3HD1 LEU 10 6.913 15.261 5.508 68 HD21 LEU 10 3HD2 LEU 10 9.026 14.779 3.100 69 HD22 LEU 10 1HD2 LEU 10 7.648 14.435 1.999 70 HD23 LEU 10 2HD2 LEU 10 7.536 15.733 3.189 71 H THR 11 H THR 11 7.383 9.402 3.465 72 HA THR 11 HA THR 11 9.960 8.122 2.958 73 HB THR 11 HB THR 11 8.394 6.256 4.176 74 HG1 THR 11 1HG THR 11 6.655 7.145 4.904 75 HG21 THR 11 3HG2 THR 11 9.743 8.626 5.546 76 HG22 THR 11 1HG2 THR 11 9.343 7.065 6.305 77 HG23 THR 11 2HG2 THR 11 10.547 7.127 5.014 78 H CYS 12 H CYS 12 6.667 8.185 1.494 79 HA CYS 12 HA CYS 12 6.846 5.489 0.645 80 HB2 CYS 12 1HB CYS 12 4.736 6.624 1.000 81 HB3 CYS 12 2HB CYS 12 5.072 7.712 -0.337 82 HA PRO 13 HA PRO 13 9.439 6.382 -2.984 83 HB2 PRO 13 1HB PRO 13 9.932 3.783 -3.786 84 HB3 PRO 13 2HB PRO 13 10.753 4.612 -2.433 85 HG2 PRO 13 1HG PRO 13 8.501 2.640 -2.348 86 HG3 PRO 13 2HG PRO 13 9.909 2.773 -1.261 87 HD2 PRO 13 1HD PRO 13 7.381 3.765 -0.676 88 HD3 PRO 13 2HD PRO 13 8.899 4.415 -0.002 89 H HIS 14 H HIS 14 6.305 6.097 -3.185 90 HA HIS 14 HA HIS 14 6.228 5.717 -6.111 91 HB2 HIS 14 1HB HIS 14 3.961 4.556 -4.505 92 HB3 HIS 14 2HB HIS 14 4.420 4.163 -6.145 93 HD1 HIS 14 1HD HIS 14 6.490 2.360 -6.447 94 HD2 HIS 14 2HD HIS 14 4.971 3.091 -2.581 95 HE1 HIS 14 1HE HIS 14 7.250 0.492 -4.982 96 HE2 HIS 14 2HE HIS 14 6.452 0.904 -2.654 97 H THR 15 H THR 15 4.610 7.036 -7.101 98 HA THR 15 HA THR 15 4.081 9.506 -5.706 99 HB THR 15 HB THR 15 3.103 10.002 -7.992 100 HG1 THR 15 1HG THR 15 3.644 8.171 -9.545 101 HG21 THR 15 3HG2 THR 15 5.470 10.434 -7.590 102 HG22 THR 15 1HG2 THR 15 5.873 8.747 -7.960 103 HG23 THR 15 2HG2 THR 15 5.250 9.820 -9.236 104 H ILE 16 H ILE 16 1.813 10.479 -5.729 105 HA ILE 16 HA ILE 16 -0.219 8.626 -4.941 106 HB ILE 16 HB ILE 16 0.078 11.035 -4.311 107 HG12 ILE 16 1HG1 ILE 16 -2.739 10.333 -5.261 108 HG13 ILE 16 2HG1 ILE 16 -1.962 9.611 -3.845 109 HG21 ILE 16 1HG2 ILE 16 0.253 11.854 -6.754 110 HG22 ILE 16 2HG2 ILE 16 -1.516 11.717 -6.813 111 HG23 ILE 16 3HG2 ILE 16 -0.745 12.822 -5.664 112 HD11 ILE 16 3HD1 ILE 16 -2.438 12.606 -4.150 113 HD12 ILE 16 1HD1 ILE 16 -3.464 11.502 -3.260 114 HD13 ILE 16 2HD1 ILE 16 -1.795 11.760 -2.721 115 H SER 17 H SER 17 1.044 9.347 -8.032 116 HA SER 17 HA SER 17 -1.258 8.772 -9.647 117 HB2 SER 17 1HB SER 17 1.583 9.154 -10.019 118 HB3 SER 17 2HB SER 17 0.915 7.943 -11.106 119 HG SER 17 HG SER 17 -0.347 10.435 -10.701 120 H VAL 18 H VAL 18 1.343 6.784 -8.046 121 HA VAL 18 HA VAL 18 -0.238 4.395 -8.702 122 HB VAL 18 HB VAL 18 1.659 3.191 -9.635 123 HG11 VAL 18 1HG1 VAL 18 0.234 4.489 -11.214 124 HG12 VAL 18 2HG1 VAL 18 1.425 5.808 -11.161 125 HG13 VAL 18 3HG1 VAL 18 1.889 4.222 -11.786 126 HG21 VAL 18 3HG2 VAL 18 3.661 5.044 -10.216 127 HG22 VAL 18 1HG2 VAL 18 3.120 5.491 -8.550 128 HG23 VAL 18 2HG2 VAL 18 3.649 3.864 -8.882 129 H VAL 19 H VAL 19 -0.238 5.405 -6.281 130 HA VAL 19 HA VAL 19 1.647 3.635 -4.816 131 HB VAL 19 HB VAL 19 1.674 5.891 -4.070 132 HG11 VAL 19 1HG1 VAL 19 -0.176 7.052 -3.026 133 HG12 VAL 19 2HG1 VAL 19 -0.636 6.588 -4.661 134 HG13 VAL 19 3HG1 VAL 19 -1.257 5.680 -3.276 135 HG21 VAL 19 3HG2 VAL 19 2.084 4.150 -2.423 136 HG22 VAL 19 1HG2 VAL 19 1.321 5.579 -1.689 137 HG23 VAL 19 2HG2 VAL 19 0.367 4.123 -1.987 138 H TRP 20 H TRP 20 -1.915 4.143 -5.093 139 HA TRP 20 HA TRP 20 -2.602 2.103 -3.319 140 HB2 TRP 20 1HB TRP 20 -4.222 3.701 -4.173 141 HB3 TRP 20 2HB TRP 20 -4.095 3.013 -5.793 142 HD1 TRP 20 HD TRP 20 -5.588 0.949 -6.338 143 HE1 TRP 20 1HE TRP 20 -7.326 -0.415 -5.058 144 HE3 TRP 20 3HE TRP 20 -4.475 2.524 -1.602 145 HZ2 TRP 20 2HZ TRP 20 -8.303 -0.581 -2.303 146 HZ3 TRP 20 3HZ TRP 20 -5.734 1.658 0.331 147 HH2 TRP 20 HH TRP 20 -7.699 0.169 -0.015 148 H TYR 21 H TYR 21 -2.740 1.640 -6.918 149 HA TYR 21 HA TYR 21 -3.070 -1.173 -6.787 150 HB2 TYR 21 1HB TYR 21 -3.619 -0.478 -8.795 151 HB3 TYR 21 2HB TYR 21 -2.446 0.770 -8.897 152 HD1 TYR 21 2HD TYR 21 0.186 -0.115 -9.285 153 HD2 TYR 21 1HD TYR 21 -3.396 -2.378 -9.986 154 HE1 TYR 21 2HE TYR 21 1.481 -1.753 -10.568 155 HE2 TYR 21 1HE TYR 21 -2.144 -4.005 -11.333 156 HH TYR 21 HH TYR 21 1.414 -3.866 -11.615 157 H GLU 22 H GLU 22 0.053 0.793 -6.560 158 HA GLU 22 HA GLU 22 1.746 -1.207 -7.352 159 HB2 GLU 22 1HB GLU 22 2.954 0.662 -7.306 160 HB3 GLU 22 2HB GLU 22 1.616 1.430 -6.583 161 HG2 GLU 22 1HG GLU 22 3.084 1.805 -5.231 162 HG3 GLU 22 2HG GLU 22 2.508 0.579 -4.270 163 H CYS 23 H CYS 23 0.278 -0.424 -4.213 164 HA CYS 23 HA CYS 23 1.662 -2.649 -2.864 165 HB2 CYS 23 1HB CYS 23 0.485 0.000 -1.929 166 HB3 CYS 23 2HB CYS 23 0.742 -1.331 -0.807 167 H THR 24 H THR 24 -1.288 -2.198 -4.396 168 HA THR 24 HA THR 24 -2.501 -3.953 -2.387 169 HB THR 24 HB THR 24 -4.705 -3.082 -2.903 170 HG1 THR 24 1HG THR 24 -3.296 -1.056 -4.263 171 HG21 THR 24 3HG2 THR 24 -2.799 -0.908 -1.965 172 HG22 THR 24 1HG2 THR 24 -4.546 -1.005 -1.663 173 HG23 THR 24 2HG2 THR 24 -3.462 -2.220 -0.968 174 H GLU 25 H GLU 25 -1.468 -3.854 -5.569 175 HA GLU 25 HA GLU 25 -3.317 -6.037 -6.377 176 HB2 GLU 25 1HB GLU 25 -3.703 -3.399 -6.985 177 HB3 GLU 25 2HB GLU 25 -2.639 -3.859 -8.289 178 HG2 GLU 25 1HG GLU 25 -4.192 -5.608 -9.010 179 HG3 GLU 25 2HG GLU 25 -5.202 -5.346 -7.583 180 H ASN 26 H ASN 26 -0.233 -4.260 -6.943 181 HA ASN 26 HA ASN 26 0.783 -6.383 -8.703 182 HB2 ASN 26 1HB ASN 26 1.647 -4.145 -9.083 183 HB3 ASN 26 2HB ASN 26 2.101 -3.996 -7.388 184 HD21 ASN 26 1HD2 ASN 26 4.249 -3.565 -8.183 185 HD22 ASN 26 2HD2 ASN 26 5.366 -4.901 -8.378 186 H THR 27 H THR 27 0.638 -8.245 -7.535 187 HA THR 27 HA THR 27 1.092 -8.739 -4.846 188 HB THR 27 HB THR 27 1.455 -11.113 -5.607 189 HG1 THR 27 1HG THR 27 1.369 -9.841 -8.161 190 HG21 THR 27 3HG2 THR 27 -0.827 -10.206 -5.249 191 HG22 THR 27 1HG2 THR 27 -0.893 -9.677 -6.939 192 HG23 THR 27 2HG2 THR 27 -0.782 -11.404 -6.545 193 H ALA 28 H ALA 28 3.604 -8.056 -7.156 194 HA ALA 28 HA ALA 28 5.773 -9.417 -5.817 195 HB1 ALA 28 1HB ALA 28 5.712 -6.997 -7.687 196 HB2 ALA 28 2HB ALA 28 7.154 -7.901 -7.218 197 HB3 ALA 28 3HB ALA 28 5.890 -8.696 -8.182 198 H ASN 29 H ASN 29 4.075 -6.439 -5.126 199 HA ASN 29 HA ASN 29 6.097 -5.856 -2.992 200 HB2 ASN 29 1HB ASN 29 4.449 -3.682 -4.302 201 HB3 ASN 29 2HB ASN 29 5.690 -3.525 -3.077 202 HD21 ASN 29 1HD2 ASN 29 5.539 -2.053 -5.403 203 HD22 ASN 29 2HD2 ASN 29 6.897 -2.401 -6.449 204 H CYS 30 H CYS 30 2.735 -5.693 -4.135 205 HA CYS 30 HA CYS 30 1.454 -4.653 -1.979 206 HB2 CYS 30 1HB CYS 30 0.148 -5.000 -3.816 207 HB3 CYS 30 2HB CYS 30 0.616 -6.669 -4.055 208 H GLY 31 H GLY 31 1.181 -5.047 0.037 209 HA2 GLY 31 1HA GLY 31 0.762 -7.403 1.326 210 HA3 GLY 31 2HA GLY 31 2.526 -7.200 1.291 211 H THR 32 H THR 32 1.528 -7.175 3.722 212 HA THR 32 HA THR 32 0.318 -4.815 4.634 213 HB THR 32 HB THR 32 1.789 -7.018 5.978 214 HG1 THR 32 1HG THR 32 -0.195 -7.597 6.534 215 HG21 THR 32 3HG2 THR 32 0.959 -6.280 8.168 216 HG22 THR 32 1HG2 THR 32 2.147 -5.139 7.525 217 HG23 THR 32 2HG2 THR 32 0.415 -4.743 7.464 218 H ALA 33 H ALA 33 3.809 -5.683 4.539 219 HA ALA 33 HA ALA 33 4.732 -3.314 5.862 220 HB1 ALA 33 1HB ALA 33 6.118 -5.362 5.520 221 HB2 ALA 33 2HB ALA 33 6.145 -5.045 3.774 222 HB3 ALA 33 3HB ALA 33 6.915 -3.904 4.897 223 H CYS 34 H CYS 34 3.952 -4.058 2.490 224 HA CYS 34 HA CYS 34 5.006 -1.724 1.251 225 HB2 CYS 34 1HB CYS 34 4.001 -3.906 0.279 226 HB3 CYS 34 2HB CYS 34 2.447 -3.110 0.379 227 H CYS 35 H CYS 35 1.758 -2.482 2.539 228 HA CYS 35 HA CYS 35 0.530 -0.016 1.928 229 HB2 CYS 35 1HB CYS 35 -0.029 -2.170 3.996 230 HB3 CYS 35 2HB CYS 35 -1.028 -0.728 3.860 231 H ASP 36 H ASP 36 2.023 -1.103 5.043 232 HA ASP 36 HA ASP 36 1.478 1.363 6.384 233 HB2 ASP 36 1HB ASP 36 2.042 -0.998 7.265 234 HB3 ASP 36 2HB ASP 36 3.736 -0.532 7.075 235 H SER 37 H SER 37 4.307 0.312 4.537 236 HA SER 37 HA SER 37 5.889 2.613 5.009 237 HB2 SER 37 1HB SER 37 5.850 0.806 2.573 238 HB3 SER 37 2HB SER 37 7.170 1.874 3.079 239 HG SER 37 HG SER 37 6.228 -0.515 4.231 240 H CYS 38 H CYS 38 2.848 2.628 3.342 241 HA CYS 38 HA CYS 38 3.592 5.219 2.116 242 HB2 CYS 38 1HB CYS 38 2.347 2.789 0.840 243 HB3 CYS 38 2HB CYS 38 2.024 4.399 0.235 244 H PHE 39 H PHE 39 1.293 3.477 4.059 245 HA PHE 39 HA PHE 39 -0.546 5.777 3.959 246 HB2 PHE 39 1HB PHE 39 -1.326 2.845 3.692 247 HB3 PHE 39 2HB PHE 39 -2.429 4.168 3.933 248 HD1 PHE 39 2HD PHE 39 -2.468 6.053 2.104 249 HD2 PHE 39 1HD PHE 39 -0.851 2.107 1.494 250 HE1 PHE 39 2HE PHE 39 -2.896 6.242 -0.336 251 HE2 PHE 39 1HE PHE 39 -1.301 2.279 -0.928 252 HZ PHE 39 HZ PHE 39 -2.342 4.324 -1.834 253 H GLU 40 H GLU 40 -1.276 6.221 5.947 254 HA GLU 40 HA GLU 40 -0.737 4.307 8.177 255 HB2 GLU 40 1HB GLU 40 -1.030 7.307 8.354 256 HB3 GLU 40 2HB GLU 40 -0.491 6.205 9.621 257 HG2 GLU 40 1HG GLU 40 1.363 5.628 7.712 258 HG3 GLU 40 2HG GLU 40 0.947 7.322 7.371 259 H LEU 41 H LEU 41 -2.311 4.723 10.070 260 HA LEU 41 HA LEU 41 -4.411 4.705 10.938 261 HB2 LEU 41 1HB LEU 41 -4.708 7.204 9.245 262 HB3 LEU 41 2HB LEU 41 -5.532 6.844 10.763 263 HG LEU 41 HG LEU 41 -2.545 7.370 10.401 264 HD11 LEU 41 1HD1 LEU 41 -3.937 9.361 10.137 265 HD12 LEU 41 2HD1 LEU 41 -4.711 9.053 11.704 266 HD13 LEU 41 3HD1 LEU 41 -2.972 9.437 11.615 267 HD21 LEU 41 3HD2 LEU 41 -2.793 5.819 12.232 268 HD22 LEU 41 1HD2 LEU 41 -2.488 7.412 12.903 269 HD23 LEU 41 2HD2 LEU 41 -4.153 6.731 12.908 270 H THR 42 H THR 42 -6.546 6.257 8.891 271 HA THR 42 HA THR 42 -8.019 3.844 8.479 272 HB THR 42 HB THR 42 -8.418 6.453 6.976 273 HG1 THR 42 1HG THR 42 -9.604 7.199 8.567 274 HG21 THR 42 3HG2 THR 42 -9.845 4.501 6.323 275 HG22 THR 42 1HG2 THR 42 -10.372 4.336 8.008 276 HG23 THR 42 2HG2 THR 42 -10.800 5.778 7.057 277 H GLY 43 H GLY 43 -5.755 5.740 6.462 278 HA2 GLY 43 1HA GLY 43 -6.309 4.556 3.936 279 HA3 GLY 43 2HA GLY 43 -4.818 5.380 4.421 280 H ASN 44 H ASN 44 -4.029 3.769 6.531 281 HA ASN 44 HA ASN 44 -2.669 1.607 5.341 282 HB2 ASN 44 1HB ASN 44 -2.090 2.699 7.545 283 HB3 ASN 44 2HB ASN 44 -3.432 1.848 8.296 284 HD21 ASN 44 1HD2 ASN 44 -0.512 1.377 6.335 285 HD22 ASN 44 2HD2 ASN 44 -0.119 -0.214 6.995 286 H THR 45 H THR 45 -5.444 1.622 7.531 287 HA THR 45 HA THR 45 -6.086 -1.046 7.483 288 HB THR 45 HB THR 45 -8.144 1.143 7.597 289 HG1 THR 45 1HG THR 45 -6.491 1.887 8.969 290 HG21 THR 45 3HG2 THR 45 -8.997 -1.176 7.926 291 HG22 THR 45 1HG2 THR 45 -7.880 -1.357 9.298 292 HG23 THR 45 2HG2 THR 45 -9.191 -0.170 9.374 293 H MET 46 H MET 46 -7.185 1.432 5.092 294 HA MET 46 HA MET 46 -8.880 -0.409 3.604 295 HB2 MET 46 1HB MET 46 -7.718 2.328 2.954 296 HB3 MET 46 2HB MET 46 -8.537 1.340 1.758 297 HG2 MET 46 1HG MET 46 -10.425 1.179 3.629 298 HG3 MET 46 2HG MET 46 -9.668 2.680 4.177 299 HE1 MET 46 3HE MET 46 -10.318 1.259 0.392 300 HE2 MET 46 1HE MET 46 -11.662 0.778 1.457 301 HE3 MET 46 2HE MET 46 -11.929 1.976 0.172 302 H CYS 47 H CYS 47 -5.459 0.709 3.211 303 HA CYS 47 HA CYS 47 -5.005 -0.646 0.745 304 HB2 CYS 47 1HB CYS 47 -3.566 1.122 1.658 305 HB3 CYS 47 2HB CYS 47 -3.090 0.084 2.995 306 H LEU 48 H LEU 48 -4.453 -1.650 4.144 307 HA LEU 48 HA LEU 48 -3.604 -4.279 3.671 308 HB2 LEU 48 1HB LEU 48 -5.220 -3.073 5.961 309 HB3 LEU 48 2HB LEU 48 -4.541 -4.688 5.976 310 HG LEU 48 HG LEU 48 -2.902 -2.123 5.800 311 HD11 LEU 48 1HD1 LEU 48 -2.169 -2.787 8.091 312 HD12 LEU 48 2HD1 LEU 48 -3.890 -2.398 8.013 313 HD13 LEU 48 3HD1 LEU 48 -3.357 -4.095 8.078 314 HD21 LEU 48 3HD2 LEU 48 -0.966 -3.523 6.157 315 HD22 LEU 48 1HD2 LEU 48 -1.979 -4.985 6.114 316 HD23 LEU 48 2HD2 LEU 48 -1.762 -3.974 4.654 317 H LEU 49 H LEU 49 -6.939 -3.055 4.183 318 HA LEU 49 HA LEU 49 -8.315 -5.422 3.793 319 HB2 LEU 49 1HB LEU 49 -9.051 -2.701 3.842 320 HB3 LEU 49 2HB LEU 49 -9.529 -3.199 2.240 321 HG LEU 49 HG LEU 49 -10.697 -5.224 3.397 322 HD11 LEU 49 1HD1 LEU 49 -10.208 -3.337 5.753 323 HD12 LEU 49 2HD1 LEU 49 -11.313 -4.744 5.778 324 HD13 LEU 49 3HD1 LEU 49 -9.576 -4.991 5.566 325 HD21 LEU 49 3HD2 LEU 49 -11.633 -2.356 3.829 326 HD22 LEU 49 1HD2 LEU 49 -11.937 -3.379 2.410 327 HD23 LEU 49 2HD2 LEU 49 -12.673 -3.803 3.962 328 H GLN 50 H GLN 50 -7.113 -3.292 1.152 329 HA GLN 50 HA GLN 50 -8.366 -4.921 -0.869 330 HB2 GLN 50 1HB GLN 50 -7.880 -2.467 -1.038 331 HB3 GLN 50 2HB GLN 50 -6.163 -2.831 -1.158 332 HG2 GLN 50 1HG GLN 50 -7.070 -2.471 -3.403 333 HG3 GLN 50 2HG GLN 50 -6.629 -4.171 -3.245 334 HE21 GLN 50 1HE2 GLN 50 -8.237 -5.660 -3.916 335 HE22 GLN 50 2HE2 GLN 50 -9.930 -5.362 -3.768 336 H ALA 51 H ALA 51 -4.971 -4.568 0.276 337 HA ALA 51 HA ALA 51 -3.792 -6.388 -1.551 338 HB1 ALA 51 1HB ALA 51 -1.958 -6.475 0.183 339 HB2 ALA 51 2HB ALA 51 -2.434 -4.831 -0.245 340 HB3 ALA 51 3HB ALA 51 -2.996 -5.552 1.284 341 H GLY 52 H GLY 52 -4.980 -6.877 1.797 342 HA2 GLY 52 1HA GLY 52 -4.520 -9.740 1.717 343 HA3 GLY 52 2HA GLY 52 -5.088 -8.750 3.065 344 H ALA 53 H ALA 53 -6.914 -8.315 0.130 345 HA ALA 53 HA ALA 53 -9.322 -8.585 1.200 346 HB1 ALA 53 1HB ALA 53 -8.966 -7.769 -1.070 347 HB2 ALA 53 2HB ALA 53 -8.632 -9.420 -1.647 348 HB3 ALA 53 3HB ALA 53 -10.244 -8.992 -1.051 349 H ALA 54 H ALA 54 -8.148 -11.407 -0.722 350 HA ALA 54 HA ALA 54 -8.414 -13.168 1.468 351 HB1 ALA 54 1HB ALA 54 -10.579 -13.475 -0.650 352 HB2 ALA 54 2HB ALA 54 -10.126 -14.718 0.527 353 HB3 ALA 54 3HB ALA 54 -10.821 -13.207 1.092 354 H GLY 55 H GLY 55 -6.262 -13.471 0.766 355 HA2 GLY 55 1HA GLY 55 -4.573 -14.567 -0.242 356 HA3 GLY 55 2HA GLY 55 -5.773 -15.851 -0.409 357 H SER 56 H SER 56 -5.496 -12.666 -2.110 358 HA SER 56 HA SER 56 -5.823 -13.823 -4.734 359 HB2 SER 56 1HB SER 56 -4.620 -11.123 -4.018 360 HB3 SER 56 2HB SER 56 -5.446 -11.581 -5.515 361 HG SER 56 HG SER 56 -6.483 -10.358 -3.548 362 H GLY 57 H GLY 57 -3.063 -12.462 -2.864 363 HA2 GLY 57 1HA GLY 57 -1.144 -14.343 -3.301 364 HA3 GLY 57 2HA GLY 57 -1.099 -13.439 -4.818 365 H CYS 58 H CYS 58 -1.893 -11.414 -2.078 366 HA CYS 58 HA CYS 58 0.806 -10.224 -2.125 367 HB2 CYS 58 1HB CYS 58 -1.777 -9.431 -0.732 368 HB3 CYS 58 2HB CYS 58 -0.291 -8.505 -0.740 369 H ASP 59 H ASP 59 1.804 -9.723 0.041 370 HA ASP 59 HA ASP 59 1.637 -12.147 1.777 371 HB2 ASP 59 1HB ASP 59 3.814 -11.435 0.677 372 HB3 ASP 59 2HB ASP 59 3.828 -10.050 1.769 373 H MET 60 H MET 60 0.581 -11.932 3.696 374 HA MET 60 HA MET 60 -0.605 -9.323 4.216 375 HB2 MET 60 1HB MET 60 -1.067 -12.132 5.259 376 HB3 MET 60 2HB MET 60 -1.861 -10.747 5.980 377 HG2 MET 60 1HG MET 60 -2.427 -10.173 3.418 378 HG3 MET 60 2HG MET 60 -2.303 -11.928 3.288 379 HE1 MET 60 3HE MET 60 -5.009 -13.091 5.891 380 HE2 MET 60 1HE MET 60 -3.866 -13.591 4.627 381 HE3 MET 60 2HE MET 60 -3.270 -12.879 6.147 382 H GLU 61 H GLU 61 2.277 -9.525 4.888 383 HA GLU 61 HA GLU 61 2.889 -8.113 7.015 384 HB2 GLU 61 1HB GLU 61 1.715 -10.505 8.111 385 HB3 GLU 61 2HB GLU 61 3.388 -10.378 8.623 386 HG2 GLU 61 1HG GLU 61 2.743 -7.852 9.102 387 HG3 GLU 61 2HG GLU 61 1.085 -8.458 9.051 Start of MODEL 17 1 H1 TYR 1 H TYR 1 -13.629 9.877 1.604 2 HA TYR 1 HA TYR 1 -12.247 9.394 3.535 3 HB2 TYR 1 1HB TYR 1 -13.315 7.161 3.962 4 HB3 TYR 1 2HB TYR 1 -12.305 6.471 2.688 5 HD1 TYR 1 2HD TYR 1 -12.324 8.251 5.910 6 HD2 TYR 1 1HD TYR 1 -9.841 6.179 3.041 7 HE1 TYR 1 2HE TYR 1 -10.371 8.574 7.376 8 HE2 TYR 1 1HE TYR 1 -7.899 6.545 4.441 9 HH TYR 1 HH TYR 1 -7.078 7.834 6.232 10 H ASN 2 H ASN 2 -11.695 7.221 0.726 11 HA ASN 2 HA ASN 2 -10.085 6.834 -0.558 12 HB2 ASN 2 1HB ASN 2 -10.285 9.583 -1.041 13 HB3 ASN 2 2HB ASN 2 -8.604 9.351 -0.750 14 HD21 ASN 2 1HD2 ASN 2 -7.799 9.454 -2.891 15 HD22 ASN 2 2HD2 ASN 2 -8.134 8.202 -4.069 16 HA PRO 3 HA PRO 3 -6.807 5.944 2.392 17 HB2 PRO 3 1HB PRO 3 -5.376 4.624 0.189 18 HB3 PRO 3 2HB PRO 3 -6.067 3.912 1.669 19 HG2 PRO 3 1HG PRO 3 -7.147 3.672 -0.936 20 HG3 PRO 3 2HG PRO 3 -7.898 3.215 0.634 21 HD2 PRO 3 1HD PRO 3 -8.556 5.404 -1.137 22 HD3 PRO 3 2HD PRO 3 -9.365 4.809 0.353 23 H GLU 4 H GLU 4 -6.472 7.570 -0.721 24 HA GLU 4 HA GLU 4 -3.771 8.403 -0.522 25 HB2 GLU 4 1HB GLU 4 -6.199 9.710 -1.823 26 HB3 GLU 4 2HB GLU 4 -4.536 10.245 -2.052 27 HG2 GLU 4 1HG GLU 4 -3.924 8.023 -2.970 28 HG3 GLU 4 2HG GLU 4 -5.601 7.481 -2.780 29 H ASP 5 H ASP 5 -6.597 9.565 1.337 30 HA ASP 5 HA ASP 5 -5.537 12.072 2.164 31 HB2 ASP 5 1HB ASP 5 -7.378 10.026 3.342 32 HB3 ASP 5 2HB ASP 5 -6.547 11.027 4.505 33 H ASP 6 H ASP 6 -4.562 8.820 3.111 34 HA ASP 6 HA ASP 6 -2.665 9.858 5.202 35 HB2 ASP 6 1HB ASP 6 -3.497 7.018 4.857 36 HB3 ASP 6 2HB ASP 6 -2.889 7.862 6.273 37 H TYR 7 H TYR 7 -2.405 9.505 2.115 38 HA TYR 7 HA TYR 7 -0.340 7.604 1.579 39 HB2 TYR 7 1HB TYR 7 -1.587 8.544 -0.229 40 HB3 TYR 7 2HB TYR 7 -1.243 10.191 0.297 41 HD1 TYR 7 2HD TYR 7 0.786 7.114 -0.594 42 HD2 TYR 7 1HD TYR 7 0.234 11.385 -1.010 43 HE1 TYR 7 2HE TYR 7 2.689 7.221 -2.170 44 HE2 TYR 7 1HE TYR 7 2.168 11.499 -2.526 45 HH TYR 7 HH TYR 7 3.959 8.527 -3.497 46 H THR 8 H THR 8 1.775 7.691 2.248 47 HA THR 8 HA THR 8 2.783 10.171 3.491 48 HB THR 8 HB THR 8 4.319 8.336 4.555 49 HG1 THR 8 1HG THR 8 3.109 6.312 4.692 50 HG21 THR 8 3HG2 THR 8 2.427 9.588 5.731 51 HG22 THR 8 1HG2 THR 8 1.404 8.197 5.330 52 HG23 THR 8 2HG2 THR 8 2.839 7.983 6.351 53 HA PRO 9 HA PRO 9 5.353 9.502 -0.334 54 HB2 PRO 9 1HB PRO 9 5.924 12.120 -0.920 55 HB3 PRO 9 2HB PRO 9 4.484 11.248 -1.503 56 HG2 PRO 9 1HG PRO 9 4.687 13.158 0.821 57 HG3 PRO 9 2HG PRO 9 3.390 12.985 -0.409 58 HD2 PRO 9 1HD PRO 9 3.193 11.930 2.119 59 HD3 PRO 9 2HD PRO 9 2.450 11.153 0.692 60 H LEU 10 H LEU 10 6.007 11.207 2.701 61 HA LEU 10 HA LEU 10 8.721 11.809 2.469 62 HB2 LEU 10 1HB LEU 10 6.764 11.025 4.635 63 HB3 LEU 10 2HB LEU 10 8.440 11.212 5.055 64 HG LEU 10 HG LEU 10 6.761 13.169 5.316 65 HD11 LEU 10 1HD1 LEU 10 9.179 13.273 5.787 66 HD12 LEU 10 2HD1 LEU 10 9.513 13.595 4.073 67 HD13 LEU 10 3HD1 LEU 10 8.621 14.784 5.061 68 HD21 LEU 10 3HD2 LEU 10 5.856 13.404 3.094 69 HD22 LEU 10 1HD2 LEU 10 6.776 14.844 3.520 70 HD23 LEU 10 2HD2 LEU 10 7.481 13.682 2.401 71 H THR 11 H THR 11 7.113 8.686 2.795 72 HA THR 11 HA THR 11 9.732 7.318 2.915 73 HB THR 11 HB THR 11 8.191 5.708 4.444 74 HG1 THR 11 1HG THR 11 6.437 6.917 4.514 75 HG21 THR 11 3HG2 THR 11 9.605 8.202 5.472 76 HG22 THR 11 1HG2 THR 11 9.143 6.797 6.448 77 HG23 THR 11 2HG2 THR 11 10.346 6.604 5.170 78 H CYS 12 H CYS 12 6.723 7.630 1.243 79 HA CYS 12 HA CYS 12 6.608 4.853 0.465 80 HB2 CYS 12 1HB CYS 12 4.603 6.241 0.797 81 HB3 CYS 12 2HB CYS 12 5.073 7.239 -0.569 82 HA PRO 13 HA PRO 13 9.375 5.619 -3.043 83 HB2 PRO 13 1HB PRO 13 9.242 2.992 -4.109 84 HB3 PRO 13 2HB PRO 13 10.404 3.628 -2.929 85 HG2 PRO 13 1HG PRO 13 8.036 1.918 -2.466 86 HG3 PRO 13 2HG PRO 13 9.533 2.048 -1.517 87 HD2 PRO 13 1HD PRO 13 7.067 3.158 -0.832 88 HD3 PRO 13 2HD PRO 13 8.646 3.699 -0.204 89 H HIS 14 H HIS 14 6.041 5.490 -3.348 90 HA HIS 14 HA HIS 14 6.124 5.336 -6.339 91 HB2 HIS 14 1HB HIS 14 3.822 4.340 -4.695 92 HB3 HIS 14 2HB HIS 14 4.098 3.948 -6.361 93 HD1 HIS 14 1HD HIS 14 5.939 1.875 -6.805 94 HD2 HIS 14 2HD HIS 14 4.851 2.779 -2.843 95 HE1 HIS 14 1HE HIS 14 6.695 -0.091 -5.318 96 HE2 HIS 14 2HE HIS 14 6.002 0.480 -2.966 97 H THR 15 H THR 15 4.665 6.844 -7.385 98 HA THR 15 HA THR 15 4.156 9.191 -5.771 99 HB THR 15 HB THR 15 3.397 10.129 -7.932 100 HG1 THR 15 1HG THR 15 3.630 8.784 -9.780 101 HG21 THR 15 3HG2 THR 15 5.963 8.504 -8.172 102 HG22 THR 15 1HG2 THR 15 5.568 9.986 -9.067 103 HG23 THR 15 2HG2 THR 15 5.822 10.017 -7.307 104 H ILE 16 H ILE 16 1.974 10.301 -5.710 105 HA ILE 16 HA ILE 16 -0.113 8.560 -4.951 106 HB ILE 16 HB ILE 16 0.368 10.957 -4.304 107 HG12 ILE 16 1HG1 ILE 16 -2.495 10.166 -4.928 108 HG13 ILE 16 2HG1 ILE 16 -1.562 9.691 -3.506 109 HG21 ILE 16 1HG2 ILE 16 -0.464 12.777 -5.536 110 HG22 ILE 16 2HG2 ILE 16 0.337 11.758 -6.748 111 HG23 ILE 16 3HG2 ILE 16 -1.432 11.736 -6.594 112 HD11 ILE 16 3HD1 ILE 16 -1.325 12.118 -2.880 113 HD12 ILE 16 1HD1 ILE 16 -2.426 12.529 -4.218 114 HD13 ILE 16 2HD1 ILE 16 -2.996 11.539 -2.876 115 H SER 17 H SER 17 0.993 9.288 -8.081 116 HA SER 17 HA SER 17 -1.439 9.093 -9.586 117 HB2 SER 17 1HB SER 17 0.934 9.922 -10.312 118 HB3 SER 17 2HB SER 17 1.332 8.218 -10.486 119 HG SER 17 HG SER 17 -0.661 9.714 -11.900 120 H VAL 18 H VAL 18 0.957 6.738 -8.288 121 HA VAL 18 HA VAL 18 -0.763 4.450 -9.055 122 HB VAL 18 HB VAL 18 1.053 3.334 -10.146 123 HG11 VAL 18 1HG1 VAL 18 1.329 4.549 -12.177 124 HG12 VAL 18 2HG1 VAL 18 -0.299 4.868 -11.565 125 HG13 VAL 18 3HG1 VAL 18 0.976 6.101 -11.399 126 HG21 VAL 18 3HG2 VAL 18 2.697 5.527 -8.995 127 HG22 VAL 18 1HG2 VAL 18 3.059 3.818 -9.240 128 HG23 VAL 18 2HG2 VAL 18 3.204 4.936 -10.620 129 H VAL 19 H VAL 19 -0.544 5.531 -6.525 130 HA VAL 19 HA VAL 19 1.265 3.585 -5.191 131 HB VAL 19 HB VAL 19 1.420 5.797 -4.348 132 HG11 VAL 19 1HG1 VAL 19 -0.327 6.936 -3.139 133 HG12 VAL 19 2HG1 VAL 19 -0.896 6.574 -4.773 134 HG13 VAL 19 3HG1 VAL 19 -1.468 5.607 -3.408 135 HG21 VAL 19 3HG2 VAL 19 1.892 3.924 -2.868 136 HG22 VAL 19 1HG2 VAL 19 1.206 5.280 -1.955 137 HG23 VAL 19 2HG2 VAL 19 0.207 3.874 -2.337 138 H TRP 20 H TRP 20 -2.313 4.307 -5.340 139 HA TRP 20 HA TRP 20 -2.984 2.288 -3.573 140 HB2 TRP 20 1HB TRP 20 -4.572 3.972 -4.333 141 HB3 TRP 20 2HB TRP 20 -4.637 3.235 -5.939 142 HD1 TRP 20 HD TRP 20 -6.493 1.465 -6.227 143 HE1 TRP 20 1HE TRP 20 -7.979 0.052 -4.679 144 HE3 TRP 20 3HE TRP 20 -4.319 2.602 -1.727 145 HZ2 TRP 20 2HZ TRP 20 -8.416 -0.215 -1.851 146 HZ3 TRP 20 3HZ TRP 20 -5.257 1.710 0.368 147 HH2 TRP 20 HH TRP 20 -7.377 0.395 0.316 148 H TYR 21 H TYR 21 -3.234 1.839 -7.173 149 HA TYR 21 HA TYR 21 -3.656 -0.941 -7.229 150 HB2 TYR 21 1HB TYR 21 -3.709 0.142 -9.318 151 HB3 TYR 21 2HB TYR 21 -2.201 1.009 -9.037 152 HD1 TYR 21 1HD TYR 21 -3.586 -2.364 -9.909 153 HD2 TYR 21 2HD TYR 21 -0.043 0.090 -9.566 154 HE1 TYR 21 1HE TYR 21 -2.214 -4.180 -10.877 155 HE2 TYR 21 2HE TYR 21 1.348 -1.778 -10.384 156 HH TYR 21 HH TYR 21 1.258 -3.873 -11.521 157 H GLU 22 H GLU 22 -0.528 0.869 -6.883 158 HA GLU 22 HA GLU 22 1.033 -1.365 -7.433 159 HB2 GLU 22 1HB GLU 22 2.432 0.575 -7.625 160 HB3 GLU 22 2HB GLU 22 1.123 1.413 -6.909 161 HG2 GLU 22 1HG GLU 22 3.074 1.817 -5.766 162 HG3 GLU 22 2HG GLU 22 1.979 1.030 -4.658 163 H CYS 23 H CYS 23 -0.403 -0.104 -4.318 164 HA CYS 23 HA CYS 23 1.400 -1.853 -2.813 165 HB2 CYS 23 1HB CYS 23 0.688 0.726 -2.421 166 HB3 CYS 23 2HB CYS 23 -0.629 -0.033 -1.563 167 H THR 24 H THR 24 -1.483 -2.152 -4.388 168 HA THR 24 HA THR 24 -2.488 -4.019 -2.372 169 HB THR 24 HB THR 24 -4.741 -3.307 -2.721 170 HG1 THR 24 1HG THR 24 -3.696 -1.260 -4.383 171 HG21 THR 24 3HG2 THR 24 -3.490 -2.131 -0.968 172 HG22 THR 24 1HG2 THR 24 -3.002 -0.869 -2.120 173 HG23 THR 24 2HG2 THR 24 -4.714 -1.087 -1.712 174 H GLU 25 H GLU 25 -1.044 -3.998 -5.261 175 HA GLU 25 HA GLU 25 -2.415 -6.418 -6.204 176 HB2 GLU 25 1HB GLU 25 -3.459 -4.009 -6.943 177 HB3 GLU 25 2HB GLU 25 -2.232 -4.121 -8.156 178 HG2 GLU 25 1HG GLU 25 -3.089 -6.392 -8.803 179 HG3 GLU 25 2HG GLU 25 -4.315 -6.250 -7.537 180 H ASN 26 H ASN 26 0.124 -4.000 -6.641 181 HA ASN 26 HA ASN 26 1.628 -5.628 -8.576 182 HB2 ASN 26 1HB ASN 26 1.832 -3.147 -8.511 183 HB3 ASN 26 2HB ASN 26 2.616 -3.306 -6.919 184 HD21 ASN 26 1HD2 ASN 26 4.345 -2.194 -7.628 185 HD22 ASN 26 2HD2 ASN 26 5.627 -3.004 -8.536 186 H THR 27 H THR 27 1.618 -7.643 -7.447 187 HA THR 27 HA THR 27 2.472 -8.175 -4.906 188 HB THR 27 HB THR 27 3.108 -10.473 -5.913 189 HG1 THR 27 1HG THR 27 3.068 -10.633 -7.978 190 HG21 THR 27 3HG2 THR 27 0.874 -10.028 -4.951 191 HG22 THR 27 1HG2 THR 27 0.333 -9.356 -6.505 192 HG23 THR 27 2HG2 THR 27 0.755 -11.076 -6.358 193 H ALA 28 H ALA 28 4.555 -7.330 -7.588 194 HA ALA 28 HA ALA 28 7.069 -8.146 -6.748 195 HB1 ALA 28 1HB ALA 28 6.237 -5.493 -7.998 196 HB2 ALA 28 2HB ALA 28 7.876 -6.115 -7.961 197 HB3 ALA 28 3HB ALA 28 6.645 -6.993 -8.875 198 H ASN 29 H ASN 29 5.007 -5.910 -5.038 199 HA ASN 29 HA ASN 29 6.969 -6.064 -2.922 200 HB2 ASN 29 1HB ASN 29 7.601 -3.832 -2.564 201 HB3 ASN 29 2HB ASN 29 7.545 -3.893 -4.327 202 HD21 ASN 29 1HD2 ASN 29 5.033 -3.654 -5.110 203 HD22 ASN 29 2HD2 ASN 29 4.688 -1.996 -4.669 204 H CYS 30 H CYS 30 3.628 -5.622 -3.905 205 HA CYS 30 HA CYS 30 2.770 -4.236 -1.605 206 HB2 CYS 30 1HB CYS 30 0.638 -4.546 -2.343 207 HB3 CYS 30 2HB CYS 30 1.627 -4.351 -3.778 208 H GLY 31 H GLY 31 1.316 -4.899 0.086 209 HA2 GLY 31 1HA GLY 31 0.508 -7.142 1.216 210 HA3 GLY 31 2HA GLY 31 2.260 -7.326 1.368 211 H THR 32 H THR 32 1.378 -7.253 3.753 212 HA THR 32 HA THR 32 0.291 -4.983 4.901 213 HB THR 32 HB THR 32 2.186 -7.050 6.080 214 HG1 THR 32 1HG THR 32 -0.369 -7.443 6.659 215 HG21 THR 32 3HG2 THR 32 1.880 -5.135 7.643 216 HG22 THR 32 1HG2 THR 32 0.120 -5.334 7.530 217 HG23 THR 32 2HG2 THR 32 1.116 -6.610 8.238 218 H ALA 33 H ALA 33 3.804 -5.752 4.541 219 HA ALA 33 HA ALA 33 4.624 -3.357 5.931 220 HB1 ALA 33 1HB ALA 33 6.103 -5.332 5.725 221 HB2 ALA 33 2HB ALA 33 6.191 -5.087 3.964 222 HB3 ALA 33 3HB ALA 33 6.855 -3.869 5.071 223 H CYS 34 H CYS 34 3.787 -4.057 2.539 224 HA CYS 34 HA CYS 34 4.842 -1.574 1.488 225 HB2 CYS 34 1HB CYS 34 4.078 -3.366 -0.006 226 HB3 CYS 34 2HB CYS 34 2.407 -3.117 0.518 227 H CYS 35 H CYS 35 1.622 -2.531 2.789 228 HA CYS 35 HA CYS 35 0.379 -0.036 2.450 229 HB2 CYS 35 1HB CYS 35 -0.111 -2.198 4.534 230 HB3 CYS 35 2HB CYS 35 -1.126 -0.773 4.346 231 H ASP 36 H ASP 36 2.058 -1.275 5.424 232 HA ASP 36 HA ASP 36 1.811 1.204 6.824 233 HB2 ASP 36 1HB ASP 36 3.310 -1.325 7.166 234 HB3 ASP 36 2HB ASP 36 4.106 0.095 7.851 235 H SER 37 H SER 37 4.256 0.162 4.444 236 HA SER 37 HA SER 37 5.875 2.541 4.878 237 HB2 SER 37 1HB SER 37 5.949 0.264 2.873 238 HB3 SER 37 2HB SER 37 7.056 1.635 2.808 239 HG SER 37 HG SER 37 7.834 -0.190 4.018 240 H CYS 38 H CYS 38 2.825 2.349 3.307 241 HA CYS 38 HA CYS 38 3.577 4.845 1.890 242 HB2 CYS 38 1HB CYS 38 2.224 2.385 0.808 243 HB3 CYS 38 2HB CYS 38 1.859 3.953 0.149 244 H PHE 39 H PHE 39 1.435 3.395 4.128 245 HA PHE 39 HA PHE 39 -0.471 5.608 3.857 246 HB2 PHE 39 1HB PHE 39 -1.086 2.626 3.724 247 HB3 PHE 39 2HB PHE 39 -2.274 3.847 4.001 248 HD1 PHE 39 1HD PHE 39 -2.042 5.919 2.099 249 HD2 PHE 39 2HD PHE 39 -0.982 1.781 1.555 250 HE1 PHE 39 1HE PHE 39 -2.458 6.117 -0.352 251 HE2 PHE 39 2HE PHE 39 -1.436 1.962 -0.856 252 HZ PHE 39 HZ PHE 39 -2.207 4.117 -1.800 253 H GLU 40 H GLU 40 -1.379 6.110 5.776 254 HA GLU 40 HA GLU 40 -0.741 4.448 8.143 255 HB2 GLU 40 1HB GLU 40 -0.929 7.468 8.360 256 HB3 GLU 40 2HB GLU 40 -0.420 6.369 9.546 257 HG2 GLU 40 1HG GLU 40 1.105 6.676 6.976 258 HG3 GLU 40 2HG GLU 40 1.415 7.624 8.391 259 H LEU 41 H LEU 41 -2.215 5.205 9.907 260 HA LEU 41 HA LEU 41 -3.890 5.730 10.839 261 HB2 LEU 41 1HB LEU 41 -5.212 7.566 9.099 262 HB3 LEU 41 2HB LEU 41 -5.470 7.352 10.804 263 HG LEU 41 HG LEU 41 -2.713 7.477 10.863 264 HD11 LEU 41 1HD1 LEU 41 -2.012 8.944 9.179 265 HD12 LEU 41 2HD1 LEU 41 -3.036 7.641 8.524 266 HD13 LEU 41 3HD1 LEU 41 -3.681 9.303 8.651 267 HD21 LEU 41 3HD2 LEU 41 -4.321 9.991 10.742 268 HD22 LEU 41 1HD2 LEU 41 -3.897 9.042 12.226 269 HD23 LEU 41 2HD2 LEU 41 -2.584 9.708 11.190 270 H THR 42 H THR 42 -6.709 6.327 9.464 271 HA THR 42 HA THR 42 -7.690 3.671 9.205 272 HB THR 42 HB THR 42 -8.688 6.421 8.486 273 HG1 THR 42 1HG THR 42 -9.751 4.544 10.281 274 HG21 THR 42 3HG2 THR 42 -10.969 5.528 8.148 275 HG22 THR 42 1HG2 THR 42 -9.879 5.085 6.837 276 HG23 THR 42 2HG2 THR 42 -10.293 3.884 8.079 277 H GLY 43 H GLY 43 -5.982 5.767 6.957 278 HA2 GLY 43 1HA GLY 43 -6.424 4.771 4.372 279 HA3 GLY 43 2HA GLY 43 -4.969 5.367 5.121 280 H ASN 44 H ASN 44 -4.105 3.775 6.862 281 HA ASN 44 HA ASN 44 -2.859 1.650 5.544 282 HB2 ASN 44 1HB ASN 44 -2.025 2.728 7.604 283 HB3 ASN 44 2HB ASN 44 -3.351 2.041 8.528 284 HD21 ASN 44 1HD2 ASN 44 -0.404 1.349 6.723 285 HD22 ASN 44 2HD2 ASN 44 -0.088 -0.173 7.566 286 H THR 45 H THR 45 -5.682 1.685 7.777 287 HA THR 45 HA THR 45 -6.247 -1.034 7.682 288 HB THR 45 HB THR 45 -8.410 1.075 7.828 289 HG1 THR 45 1HG THR 45 -6.291 0.665 9.643 290 HG21 THR 45 3HG2 THR 45 -9.079 -1.289 8.039 291 HG22 THR 45 1HG2 THR 45 -7.975 -1.480 9.419 292 HG23 THR 45 2HG2 THR 45 -9.365 -0.372 9.528 293 H MET 46 H MET 46 -7.350 1.596 5.442 294 HA MET 46 HA MET 46 -9.021 -0.155 3.882 295 HB2 MET 46 1HB MET 46 -7.840 2.565 3.056 296 HB3 MET 46 2HB MET 46 -8.954 1.573 2.134 297 HG2 MET 46 1HG MET 46 -10.420 1.561 4.258 298 HG3 MET 46 2HG MET 46 -9.427 2.929 4.772 299 HE1 MET 46 3HE MET 46 -12.687 1.899 3.055 300 HE2 MET 46 1HE MET 46 -12.636 2.755 1.492 301 HE3 MET 46 2HE MET 46 -11.477 1.464 1.839 302 H CYS 47 H CYS 47 -5.541 0.736 3.614 303 HA CYS 47 HA CYS 47 -5.091 -0.583 1.121 304 HB2 CYS 47 1HB CYS 47 -3.544 1.036 2.129 305 HB3 CYS 47 2HB CYS 47 -3.194 -0.084 3.444 306 H LEU 48 H LEU 48 -4.661 -1.749 4.523 307 HA LEU 48 HA LEU 48 -3.878 -4.367 3.881 308 HB2 LEU 48 1HB LEU 48 -5.421 -3.227 6.241 309 HB3 LEU 48 2HB LEU 48 -4.854 -4.888 6.168 310 HG LEU 48 HG LEU 48 -3.054 -2.429 6.080 311 HD11 LEU 48 1HD1 LEU 48 -2.413 -3.100 8.358 312 HD12 LEU 48 2HD1 LEU 48 -4.137 -2.735 8.272 313 HD13 LEU 48 3HD1 LEU 48 -3.581 -4.432 8.323 314 HD21 LEU 48 3HD2 LEU 48 -2.277 -5.362 6.316 315 HD22 LEU 48 1HD2 LEU 48 -2.006 -4.325 4.897 316 HD23 LEU 48 2HD2 LEU 48 -1.199 -3.945 6.409 317 H LEU 49 H LEU 49 -7.155 -3.071 4.424 318 HA LEU 49 HA LEU 49 -8.680 -5.367 3.993 319 HB2 LEU 49 1HB LEU 49 -9.092 -2.453 3.739 320 HB3 LEU 49 2HB LEU 49 -10.085 -3.343 2.609 321 HG LEU 49 HG LEU 49 -10.010 -4.081 5.557 322 HD11 LEU 49 1HD1 LEU 49 -10.632 -1.717 5.439 323 HD12 LEU 49 2HD1 LEU 49 -11.831 -2.062 4.176 324 HD13 LEU 49 3HD1 LEU 49 -12.063 -2.698 5.818 325 HD21 LEU 49 3HD2 LEU 49 -12.206 -5.069 5.049 326 HD22 LEU 49 1HD2 LEU 49 -12.132 -4.455 3.380 327 HD23 LEU 49 2HD2 LEU 49 -10.999 -5.701 3.913 328 H GLN 50 H GLN 50 -7.448 -3.118 1.440 329 HA GLN 50 HA GLN 50 -8.607 -4.703 -0.651 330 HB2 GLN 50 1HB GLN 50 -8.143 -2.247 -0.785 331 HB3 GLN 50 2HB GLN 50 -6.417 -2.594 -0.847 332 HG2 GLN 50 1HG GLN 50 -7.307 -2.203 -3.105 333 HG3 GLN 50 2HG GLN 50 -6.743 -3.857 -2.950 334 HE21 GLN 50 1HE2 GLN 50 -8.053 -5.384 -3.795 335 HE22 GLN 50 2HE2 GLN 50 -9.776 -5.219 -4.069 336 H ALA 51 H ALA 51 -5.194 -4.392 0.536 337 HA ALA 51 HA ALA 51 -4.061 -6.289 -1.255 338 HB1 ALA 51 1HB ALA 51 -3.240 -5.435 1.554 339 HB2 ALA 51 2HB ALA 51 -2.239 -6.424 0.479 340 HB3 ALA 51 3HB ALA 51 -2.654 -4.775 0.013 341 H GLY 52 H GLY 52 -6.297 -6.776 1.371 342 HA2 GLY 52 1HA GLY 52 -5.733 -9.667 1.622 343 HA3 GLY 52 2HA GLY 52 -6.706 -8.665 2.686 344 H ALA 53 H ALA 53 -7.530 -7.867 -0.573 345 HA ALA 53 HA ALA 53 -10.026 -9.412 -0.320 346 HB1 ALA 53 1HB ALA 53 -9.451 -6.786 -1.732 347 HB2 ALA 53 2HB ALA 53 -11.002 -7.643 -1.699 348 HB3 ALA 53 3HB ALA 53 -10.326 -6.988 -0.195 349 H ALA 54 H ALA 54 -9.605 -11.150 -1.363 350 HA ALA 54 HA ALA 54 -8.307 -12.046 -3.525 351 HB1 ALA 54 1HB ALA 54 -9.884 -13.420 -2.210 352 HB2 ALA 54 2HB ALA 54 -11.246 -12.580 -2.995 353 HB3 ALA 54 3HB ALA 54 -10.150 -13.591 -3.953 354 H GLY 55 H GLY 55 -7.907 -11.026 -5.180 355 HA2 GLY 55 1HA GLY 55 -9.030 -10.416 -7.567 356 HA3 GLY 55 2HA GLY 55 -9.675 -9.110 -6.548 357 H SER 56 H SER 56 -7.572 -8.732 -4.765 358 HA SER 56 HA SER 56 -5.556 -7.322 -6.196 359 HB2 SER 56 1HB SER 56 -6.175 -8.047 -3.326 360 HB3 SER 56 2HB SER 56 -4.629 -7.308 -3.730 361 HG SER 56 HG SER 56 -5.541 -5.575 -4.416 362 H GLY 57 H GLY 57 -4.486 -9.652 -3.695 363 HA2 GLY 57 1HA GLY 57 -2.935 -11.500 -4.116 364 HA3 GLY 57 2HA GLY 57 -2.574 -10.790 -5.690 365 H CYS 58 H CYS 58 -1.791 -10.780 -2.306 366 HA CYS 58 HA CYS 58 0.488 -9.099 -2.764 367 HB2 CYS 58 1HB CYS 58 -1.691 -8.240 -0.827 368 HB3 CYS 58 2HB CYS 58 -0.027 -7.698 -0.716 369 H ASP 59 H ASP 59 1.809 -9.006 -0.646 370 HA ASP 59 HA ASP 59 1.874 -11.707 0.510 371 HB2 ASP 59 1HB ASP 59 3.902 -10.749 -0.503 372 HB3 ASP 59 2HB ASP 59 3.871 -9.405 0.644 373 H MET 60 H MET 60 0.099 -11.566 1.927 374 HA MET 60 HA MET 60 -0.222 -9.455 3.886 375 HB2 MET 60 1HB MET 60 -1.358 -12.262 3.635 376 HB3 MET 60 2HB MET 60 -1.839 -11.126 4.896 377 HG2 MET 60 1HG MET 60 -3.010 -9.778 3.467 378 HG3 MET 60 2HG MET 60 -2.031 -10.157 2.055 379 HE1 MET 60 3HE MET 60 -2.699 -11.816 0.220 380 HE2 MET 60 1HE MET 60 -1.911 -12.926 1.359 381 HE3 MET 60 2HE MET 60 -3.458 -13.376 0.613 382 H GLU 61 H GLU 61 0.726 -9.239 5.819 383 HA GLU 61 HA GLU 61 1.812 -11.535 7.296 384 HB2 GLU 61 1HB GLU 61 3.342 -8.917 6.907 385 HB3 GLU 61 2HB GLU 61 3.763 -10.253 7.980 386 HG2 GLU 61 1HG GLU 61 3.719 -11.642 5.690 387 HG3 GLU 61 2HG GLU 61 4.051 -10.055 5.000 Start of MODEL 18 1 H1 TYR 1 H TYR 1 -14.136 8.793 0.645 2 HA TYR 1 HA TYR 1 -13.081 9.347 2.796 3 HB2 TYR 1 1HB TYR 1 -13.460 7.521 4.148 4 HB3 TYR 1 2HB TYR 1 -12.972 6.343 2.942 5 HD1 TYR 1 1HD TYR 1 -11.342 9.332 4.635 6 HD2 TYR 1 2HD TYR 1 -11.020 5.175 3.427 7 HE1 TYR 1 1HE TYR 1 -9.000 9.280 5.392 8 HE2 TYR 1 2HE TYR 1 -8.700 5.143 4.189 9 HH TYR 1 HH TYR 1 -7.019 8.050 5.473 10 H ASN 2 H ASN 2 -11.675 6.761 0.723 11 HA ASN 2 HA ASN 2 -10.055 6.736 -0.766 12 HB2 ASN 2 1HB ASN 2 -10.575 9.441 -1.045 13 HB3 ASN 2 2HB ASN 2 -8.955 9.488 -0.497 14 HD21 ASN 2 1HD2 ASN 2 -8.025 10.129 -2.417 15 HD22 ASN 2 2HD2 ASN 2 -7.770 9.059 -3.767 16 HA PRO 3 HA PRO 3 -7.094 6.112 2.626 17 HB2 PRO 3 1HB PRO 3 -5.261 4.522 1.282 18 HB3 PRO 3 2HB PRO 3 -6.794 3.922 1.973 19 HG2 PRO 3 1HG PRO 3 -6.201 4.629 -0.880 20 HG3 PRO 3 2HG PRO 3 -7.211 3.300 -0.230 21 HD2 PRO 3 1HD PRO 3 -8.318 5.544 -1.216 22 HD3 PRO 3 2HD PRO 3 -9.023 4.572 0.142 23 H GLU 4 H GLU 4 -6.409 7.477 -0.529 24 HA GLU 4 HA GLU 4 -3.813 8.498 -0.020 25 HB2 GLU 4 1HB GLU 4 -6.095 9.391 -1.781 26 HB3 GLU 4 2HB GLU 4 -4.519 10.157 -1.851 27 HG2 GLU 4 1HG GLU 4 -3.461 8.275 -2.787 28 HG3 GLU 4 2HG GLU 4 -4.645 7.149 -2.143 29 H ASP 5 H ASP 5 -6.931 9.499 1.400 30 HA ASP 5 HA ASP 5 -6.078 12.083 2.222 31 HB2 ASP 5 1HB ASP 5 -8.142 10.156 3.114 32 HB3 ASP 5 2HB ASP 5 -7.472 11.075 4.423 33 H ASP 6 H ASP 6 -4.793 8.987 3.131 34 HA ASP 6 HA ASP 6 -3.131 10.177 5.321 35 HB2 ASP 6 1HB ASP 6 -4.397 7.438 5.146 36 HB3 ASP 6 2HB ASP 6 -3.204 7.929 6.326 37 H TYR 7 H TYR 7 -2.576 9.834 2.346 38 HA TYR 7 HA TYR 7 -0.626 7.738 1.989 39 HB2 TYR 7 1HB TYR 7 -1.663 8.640 0.040 40 HB3 TYR 7 2HB TYR 7 -1.327 10.298 0.525 41 HD1 TYR 7 2HD TYR 7 0.613 7.142 -0.230 42 HD2 TYR 7 1HD TYR 7 0.328 11.416 -0.719 43 HE1 TYR 7 2HE TYR 7 2.645 7.128 -1.655 44 HE2 TYR 7 1HE TYR 7 2.253 11.372 -2.254 45 HH TYR 7 HH TYR 7 4.088 8.353 -2.990 46 H THR 8 H THR 8 1.560 7.758 2.468 47 HA THR 8 HA THR 8 2.662 10.237 3.651 48 HB THR 8 HB THR 8 4.167 8.534 4.865 49 HG1 THR 8 1HG THR 8 3.103 6.565 5.215 50 HG21 THR 8 3HG2 THR 8 2.516 8.407 6.647 51 HG22 THR 8 1HG2 THR 8 2.328 9.968 5.852 52 HG23 THR 8 2HG2 THR 8 1.190 8.662 5.491 53 HA PRO 9 HA PRO 9 5.036 9.522 -0.177 54 HB2 PRO 9 1HB PRO 9 5.803 12.170 -0.545 55 HB3 PRO 9 2HB PRO 9 4.364 11.404 -1.248 56 HG2 PRO 9 1HG PRO 9 4.581 13.171 1.174 57 HG3 PRO 9 2HG PRO 9 3.250 13.079 -0.017 58 HD2 PRO 9 1HD PRO 9 3.147 11.940 2.471 59 HD3 PRO 9 2HD PRO 9 2.309 11.231 1.066 60 H LEU 10 H LEU 10 6.077 11.143 2.863 61 HA LEU 10 HA LEU 10 8.732 11.618 2.235 62 HB2 LEU 10 1HB LEU 10 7.051 11.180 4.712 63 HB3 LEU 10 2HB LEU 10 8.776 11.350 4.886 64 HG LEU 10 HG LEU 10 7.220 13.395 5.077 65 HD11 LEU 10 1HD1 LEU 10 9.050 14.902 4.306 66 HD12 LEU 10 2HD1 LEU 10 9.694 13.503 5.169 67 HD13 LEU 10 3HD1 LEU 10 9.766 13.556 3.394 68 HD21 LEU 10 3HD2 LEU 10 7.512 13.520 2.067 69 HD22 LEU 10 1HD2 LEU 10 6.003 13.296 3.001 70 HD23 LEU 10 2HD2 LEU 10 6.915 14.799 3.131 71 H THR 11 H THR 11 7.320 8.488 2.751 72 HA THR 11 HA THR 11 10.086 7.437 2.551 73 HB THR 11 HB THR 11 9.464 5.517 4.004 74 HG1 THR 11 1HG THR 11 7.300 7.134 4.915 75 HG21 THR 11 3HG2 THR 11 9.345 8.179 5.472 76 HG22 THR 11 1HG2 THR 11 9.768 6.599 6.153 77 HG23 THR 11 2HG2 THR 11 10.822 7.352 4.931 78 H CYS 12 H CYS 12 6.976 7.562 1.135 79 HA CYS 12 HA CYS 12 6.681 4.795 0.612 80 HB2 CYS 12 1HB CYS 12 4.817 6.380 0.628 81 HB3 CYS 12 2HB CYS 12 5.460 7.160 -0.819 82 HA PRO 13 HA PRO 13 9.616 4.722 -2.864 83 HB2 PRO 13 1HB PRO 13 9.277 2.008 -3.541 84 HB3 PRO 13 2HB PRO 13 10.346 2.672 -2.238 85 HG2 PRO 13 1HG PRO 13 7.624 1.452 -2.073 86 HG3 PRO 13 2HG PRO 13 8.990 1.257 -0.958 87 HD2 PRO 13 1HD PRO 13 6.871 2.929 -0.509 88 HD3 PRO 13 2HD PRO 13 8.482 3.213 0.178 89 H HIS 14 H HIS 14 6.535 5.341 -3.180 90 HA HIS 14 HA HIS 14 6.359 4.914 -6.058 91 HB2 HIS 14 1HB HIS 14 4.018 3.992 -4.368 92 HB3 HIS 14 2HB HIS 14 4.344 3.723 -6.097 93 HD1 HIS 14 1HD HIS 14 5.675 1.712 -6.780 94 HD2 HIS 14 2HD HIS 14 4.984 2.218 -2.687 95 HE1 HIS 14 1HE HIS 14 6.321 -0.493 -5.691 96 HE2 HIS 14 2HE HIS 14 5.910 -0.195 -3.139 97 H THR 15 H THR 15 4.536 6.278 -6.991 98 HA THR 15 HA THR 15 4.344 8.741 -5.325 99 HB THR 15 HB THR 15 4.034 9.929 -7.384 100 HG1 THR 15 1HG THR 15 4.329 7.455 -8.748 101 HG21 THR 15 3HG2 THR 15 6.270 7.906 -7.730 102 HG22 THR 15 1HG2 THR 15 6.141 9.474 -8.541 103 HG23 THR 15 2HG2 THR 15 6.372 9.411 -6.770 104 H ILE 16 H ILE 16 2.251 9.959 -5.425 105 HA ILE 16 HA ILE 16 0.086 8.301 -4.955 106 HB ILE 16 HB ILE 16 0.545 10.592 -4.187 107 HG12 ILE 16 1HG1 ILE 16 -2.340 10.117 -5.095 108 HG13 ILE 16 2HG1 ILE 16 -1.571 9.151 -3.856 109 HG21 ILE 16 1HG2 ILE 16 -0.309 12.498 -5.371 110 HG22 ILE 16 2HG2 ILE 16 0.806 11.636 -6.437 111 HG23 ILE 16 3HG2 ILE 16 -0.952 11.489 -6.677 112 HD11 ILE 16 3HD1 ILE 16 -1.425 10.850 -2.314 113 HD12 ILE 16 1HD1 ILE 16 -1.564 12.145 -3.513 114 HD13 ILE 16 2HD1 ILE 16 -2.980 11.162 -3.099 115 H SER 17 H SER 17 1.348 8.744 -7.891 116 HA SER 17 HA SER 17 -0.918 8.898 -9.636 117 HB2 SER 17 1HB SER 17 1.892 8.231 -9.810 118 HB3 SER 17 2HB SER 17 0.945 7.295 -10.919 119 HG SER 17 HG SER 17 0.272 9.081 -11.897 120 H VAL 18 H VAL 18 1.086 6.201 -8.299 121 HA VAL 18 HA VAL 18 -1.256 4.384 -8.894 122 HB VAL 18 HB VAL 18 0.283 2.671 -9.688 123 HG11 VAL 18 1HG1 VAL 18 0.429 3.550 -11.942 124 HG12 VAL 18 2HG1 VAL 18 -1.089 4.024 -11.171 125 HG13 VAL 18 3HG1 VAL 18 0.220 5.210 -11.336 126 HG21 VAL 18 3HG2 VAL 18 2.469 2.839 -9.463 127 HG22 VAL 18 1HG2 VAL 18 2.461 3.930 -10.831 128 HG23 VAL 18 2HG2 VAL 18 2.509 4.568 -9.155 129 H VAL 19 H VAL 19 0.397 5.550 -6.357 130 HA VAL 19 HA VAL 19 1.464 3.491 -5.040 131 HB VAL 19 HB VAL 19 1.645 5.742 -4.299 132 HG11 VAL 19 1HG1 VAL 19 -0.066 7.005 -3.184 133 HG12 VAL 19 2HG1 VAL 19 -0.725 6.450 -4.727 134 HG13 VAL 19 3HG1 VAL 19 -1.198 5.649 -3.233 135 HG21 VAL 19 3HG2 VAL 19 0.466 3.975 -2.116 136 HG22 VAL 19 1HG2 VAL 19 2.165 4.225 -2.560 137 HG23 VAL 19 2HG2 VAL 19 1.245 5.503 -1.807 138 H TRP 20 H TRP 20 -2.057 4.164 -5.145 139 HA TRP 20 HA TRP 20 -2.819 2.165 -3.247 140 HB2 TRP 20 1HB TRP 20 -4.272 3.972 -4.028 141 HB3 TRP 20 2HB TRP 20 -4.307 3.287 -5.645 142 HD1 TRP 20 HD TRP 20 -6.345 1.895 -6.066 143 HE1 TRP 20 1HE TRP 20 -7.954 0.390 -4.748 144 HE3 TRP 20 3HE TRP 20 -4.300 2.523 -1.431 145 HZ2 TRP 20 2HZ TRP 20 -8.361 -0.321 -1.943 146 HZ3 TRP 20 3HZ TRP 20 -5.362 1.532 0.531 147 HH2 TRP 20 HH TRP 20 -7.421 0.114 0.277 148 H TYR 21 H TYR 21 -2.981 1.936 -6.869 149 HA TYR 21 HA TYR 21 -3.265 -0.774 -7.222 150 HB2 TYR 21 1HB TYR 21 -3.301 0.568 -9.136 151 HB3 TYR 21 2HB TYR 21 -1.777 1.347 -8.779 152 HD1 TYR 21 2HD TYR 21 -3.369 -1.700 -10.117 153 HD2 TYR 21 1HD TYR 21 0.431 0.233 -9.283 154 HE1 TYR 21 2HE TYR 21 -2.211 -3.290 -11.608 155 HE2 TYR 21 1HE TYR 21 1.571 -1.377 -10.759 156 HH TYR 21 HH TYR 21 1.323 -3.432 -11.847 157 H GLU 22 H GLU 22 0.081 0.866 -7.005 158 HA GLU 22 HA GLU 22 1.280 -1.554 -7.194 159 HB2 GLU 22 1HB GLU 22 3.173 -0.054 -7.004 160 HB3 GLU 22 2HB GLU 22 2.127 0.859 -7.840 161 HG2 GLU 22 1HG GLU 22 1.454 1.736 -5.687 162 HG3 GLU 22 2HG GLU 22 3.153 1.251 -5.308 163 H CYS 23 H CYS 23 -0.224 -0.228 -4.313 164 HA CYS 23 HA CYS 23 1.439 -1.927 -2.532 165 HB2 CYS 23 1HB CYS 23 -0.456 0.376 -2.049 166 HB3 CYS 23 2HB CYS 23 -0.416 -0.907 -0.890 167 H THR 24 H THR 24 -1.455 -2.109 -4.440 168 HA THR 24 HA THR 24 -2.567 -4.038 -2.482 169 HB THR 24 HB THR 24 -4.786 -3.264 -3.102 170 HG1 THR 24 1HG THR 24 -3.429 -1.158 -4.422 171 HG21 THR 24 3HG2 THR 24 -3.695 -2.303 -1.109 172 HG22 THR 24 1HG2 THR 24 -3.012 -0.996 -2.094 173 HG23 THR 24 2HG2 THR 24 -4.764 -1.132 -1.900 174 H GLU 25 H GLU 25 -1.537 -3.678 -5.709 175 HA GLU 25 HA GLU 25 -2.978 -6.148 -6.506 176 HB2 GLU 25 1HB GLU 25 -3.754 -3.717 -7.319 177 HB3 GLU 25 2HB GLU 25 -2.421 -3.870 -8.428 178 HG2 GLU 25 1HG GLU 25 -3.353 -5.972 -9.320 179 HG3 GLU 25 2HG GLU 25 -4.590 -5.999 -8.071 180 H ASN 26 H ASN 26 -0.179 -4.010 -7.204 181 HA ASN 26 HA ASN 26 1.153 -5.950 -8.874 182 HB2 ASN 26 1HB ASN 26 1.751 -3.623 -9.074 183 HB3 ASN 26 2HB ASN 26 2.224 -3.561 -7.360 184 HD21 ASN 26 1HD2 ASN 26 4.256 -2.758 -8.154 185 HD22 ASN 26 2HD2 ASN 26 5.514 -3.844 -8.685 186 H THR 27 H THR 27 1.129 -7.961 -7.727 187 HA THR 27 HA THR 27 1.851 -8.493 -5.165 188 HB THR 27 HB THR 27 2.384 -10.768 -5.965 189 HG1 THR 27 1HG THR 27 3.200 -10.743 -7.850 190 HG21 THR 27 3HG2 THR 27 -0.113 -9.571 -7.241 191 HG22 THR 27 1HG2 THR 27 0.164 -11.273 -6.809 192 HG23 THR 27 2HG2 THR 27 0.039 -10.047 -5.545 193 H ALA 28 H ALA 28 4.270 -7.448 -7.502 194 HA ALA 28 HA ALA 28 6.482 -8.817 -6.264 195 HB1 ALA 28 1HB ALA 28 6.461 -7.734 -8.557 196 HB2 ALA 28 2HB ALA 28 6.556 -6.160 -7.722 197 HB3 ALA 28 3HB ALA 28 7.858 -7.356 -7.544 198 H ASN 29 H ASN 29 4.572 -6.010 -5.294 199 HA ASN 29 HA ASN 29 6.289 -5.814 -2.894 200 HB2 ASN 29 1HB ASN 29 6.907 -3.624 -3.091 201 HB3 ASN 29 2HB ASN 29 6.898 -4.059 -4.813 202 HD21 ASN 29 1HD2 ASN 29 5.291 -3.363 -6.213 203 HD22 ASN 29 2HD2 ASN 29 3.941 -2.443 -5.524 204 H CYS 30 H CYS 30 3.073 -5.745 -4.225 205 HA CYS 30 HA CYS 30 1.915 -4.014 -2.350 206 HB2 CYS 30 1HB CYS 30 -0.183 -4.954 -2.978 207 HB3 CYS 30 2HB CYS 30 0.807 -4.770 -4.408 208 H GLY 31 H GLY 31 0.759 -4.383 -0.364 209 HA2 GLY 31 1HA GLY 31 0.161 -6.461 1.111 210 HA3 GLY 31 2HA GLY 31 1.922 -6.639 1.126 211 H THR 32 H THR 32 1.062 -6.565 3.467 212 HA THR 32 HA THR 32 0.257 -4.198 4.655 213 HB THR 32 HB THR 32 1.862 -6.474 5.898 214 HG1 THR 32 1HG THR 32 -0.329 -7.322 6.217 215 HG21 THR 32 3HG2 THR 32 1.073 -4.217 7.250 216 HG22 THR 32 1HG2 THR 32 -0.369 -5.238 7.442 217 HG23 THR 32 2HG2 THR 32 1.207 -5.810 7.969 218 H ALA 33 H ALA 33 3.603 -5.445 4.292 219 HA ALA 33 HA ALA 33 4.871 -3.268 5.576 220 HB1 ALA 33 1HB ALA 33 5.983 -5.412 5.047 221 HB2 ALA 33 2HB ALA 33 5.862 -5.059 3.305 222 HB3 ALA 33 3HB ALA 33 6.890 -4.061 4.347 223 H CYS 34 H CYS 34 3.696 -3.509 2.214 224 HA CYS 34 HA CYS 34 4.934 -1.018 1.355 225 HB2 CYS 34 1HB CYS 34 4.146 -2.691 -0.240 226 HB3 CYS 34 2HB CYS 34 2.474 -2.471 0.269 227 H CYS 35 H CYS 35 1.687 -1.968 2.512 228 HA CYS 35 HA CYS 35 0.473 0.556 2.446 229 HB2 CYS 35 1HB CYS 35 0.048 -1.724 4.416 230 HB3 CYS 35 2HB CYS 35 -1.032 -0.362 4.208 231 H ASP 36 H ASP 36 2.295 -0.981 5.133 232 HA ASP 36 HA ASP 36 2.096 1.136 6.989 233 HB2 ASP 36 1HB ASP 36 3.936 -1.243 6.624 234 HB3 ASP 36 2HB ASP 36 4.207 -0.093 7.902 235 H SER 37 H SER 37 4.004 1.114 4.131 236 HA SER 37 HA SER 37 5.515 3.451 5.192 237 HB2 SER 37 1HB SER 37 6.420 1.266 3.292 238 HB3 SER 37 2HB SER 37 7.238 2.843 3.412 239 HG SER 37 HG SER 37 7.161 2.413 5.770 240 H CYS 38 H CYS 38 2.874 2.870 3.338 241 HA CYS 38 HA CYS 38 3.430 5.352 1.793 242 HB2 CYS 38 1HB CYS 38 2.139 2.746 0.947 243 HB3 CYS 38 2HB CYS 38 1.922 4.239 0.072 244 H PHE 39 H PHE 39 1.321 3.759 4.066 245 HA PHE 39 HA PHE 39 -0.658 5.913 3.804 246 HB2 PHE 39 1HB PHE 39 -1.187 2.904 3.650 247 HB3 PHE 39 2HB PHE 39 -2.412 4.101 3.957 248 HD1 PHE 39 1HD PHE 39 -2.677 6.013 2.117 249 HD2 PHE 39 2HD PHE 39 -0.769 2.213 1.421 250 HE1 PHE 39 1HE PHE 39 -3.152 6.208 -0.305 251 HE2 PHE 39 2HE PHE 39 -1.257 2.401 -0.986 252 HZ PHE 39 HZ PHE 39 -2.469 4.393 -1.844 253 H GLU 40 H GLU 40 -1.756 6.216 5.840 254 HA GLU 40 HA GLU 40 -0.841 4.462 8.084 255 HB2 GLU 40 1HB GLU 40 -1.302 7.426 8.229 256 HB3 GLU 40 2HB GLU 40 -0.679 6.355 9.508 257 HG2 GLU 40 1HG GLU 40 1.208 5.867 7.729 258 HG3 GLU 40 2HG GLU 40 0.582 7.387 7.045 259 H LEU 41 H LEU 41 -2.245 4.586 9.946 260 HA LEU 41 HA LEU 41 -4.225 4.328 11.015 261 HB2 LEU 41 1HB LEU 41 -4.728 6.963 9.630 262 HB3 LEU 41 2HB LEU 41 -5.489 6.418 11.134 263 HG LEU 41 HG LEU 41 -2.520 7.018 10.716 264 HD11 LEU 41 1HD1 LEU 41 -4.012 9.000 10.634 265 HD12 LEU 41 2HD1 LEU 41 -4.607 8.596 12.227 266 HD13 LEU 41 3HD1 LEU 41 -2.893 9.016 12.011 267 HD21 LEU 41 3HD2 LEU 41 -4.042 6.274 13.245 268 HD22 LEU 41 1HD2 LEU 41 -2.766 5.324 12.457 269 HD23 LEU 41 2HD2 LEU 41 -2.377 6.885 13.194 270 H THR 42 H THR 42 -6.525 5.985 9.208 271 HA THR 42 HA THR 42 -7.951 3.548 8.688 272 HB THR 42 HB THR 42 -8.580 6.298 7.549 273 HG1 THR 42 1HG THR 42 -8.364 6.751 9.571 274 HG21 THR 42 3HG2 THR 42 -10.941 5.463 8.015 275 HG22 THR 42 1HG2 THR 42 -10.098 4.626 6.694 276 HG23 THR 42 2HG2 THR 42 -10.257 3.865 8.293 277 H GLY 43 H GLY 43 -5.751 5.530 6.726 278 HA2 GLY 43 1HA GLY 43 -6.608 4.494 4.171 279 HA3 GLY 43 2HA GLY 43 -5.161 5.464 4.505 280 H ASN 44 H ASN 44 -4.038 3.894 6.491 281 HA ASN 44 HA ASN 44 -2.668 1.759 5.189 282 HB2 ASN 44 1HB ASN 44 -1.858 2.813 7.266 283 HB3 ASN 44 2HB ASN 44 -3.181 2.084 8.177 284 HD21 ASN 44 1HD2 ASN 44 -0.213 1.551 6.392 285 HD22 ASN 44 2HD2 ASN 44 0.109 -0.005 7.166 286 H THR 45 H THR 45 -5.362 1.702 7.582 287 HA THR 45 HA THR 45 -5.768 -1.042 7.416 288 HB THR 45 HB THR 45 -7.888 1.030 8.018 289 HG1 THR 45 1HG THR 45 -6.142 1.474 9.362 290 HG21 THR 45 3HG2 THR 45 -7.501 -1.841 8.966 291 HG22 THR 45 1HG2 THR 45 -8.685 -0.710 9.639 292 HG23 THR 45 2HG2 THR 45 -8.821 -1.216 7.950 293 H MET 46 H MET 46 -7.317 1.521 5.316 294 HA MET 46 HA MET 46 -8.866 -0.415 3.872 295 HB2 MET 46 1HB MET 46 -7.986 2.393 3.108 296 HB3 MET 46 2HB MET 46 -8.699 1.272 1.951 297 HG2 MET 46 1HG MET 46 -10.534 0.902 3.747 298 HG3 MET 46 2HG MET 46 -9.966 2.437 4.414 299 HE1 MET 46 3HE MET 46 -12.785 1.110 2.714 300 HE2 MET 46 1HE MET 46 -12.832 2.483 3.846 301 HE3 MET 46 2HE MET 46 -13.434 2.675 2.184 302 H CYS 47 H CYS 47 -5.498 0.732 3.417 303 HA CYS 47 HA CYS 47 -4.979 -0.651 0.983 304 HB2 CYS 47 1HB CYS 47 -3.609 1.161 1.952 305 HB3 CYS 47 2HB CYS 47 -3.108 0.108 3.256 306 H LEU 48 H LEU 48 -4.500 -1.680 4.391 307 HA LEU 48 HA LEU 48 -3.684 -4.318 3.899 308 HB2 LEU 48 1HB LEU 48 -5.423 -3.221 6.165 309 HB3 LEU 48 2HB LEU 48 -4.640 -4.772 6.139 310 HG LEU 48 HG LEU 48 -3.314 -2.049 6.311 311 HD11 LEU 48 1HD1 LEU 48 -3.289 -4.425 8.192 312 HD12 LEU 48 2HD1 LEU 48 -2.473 -2.860 8.434 313 HD13 LEU 48 3HD1 LEU 48 -4.243 -2.925 8.394 314 HD21 LEU 48 3HD2 LEU 48 -1.971 -4.728 5.963 315 HD22 LEU 48 1HD2 LEU 48 -1.910 -3.358 4.841 316 HD23 LEU 48 2HD2 LEU 48 -1.155 -3.201 6.425 317 H LEU 49 H LEU 49 -6.982 -3.026 4.355 318 HA LEU 49 HA LEU 49 -8.428 -5.398 3.955 319 HB2 LEU 49 1HB LEU 49 -9.009 -2.510 3.804 320 HB3 LEU 49 2HB LEU 49 -9.954 -3.428 2.667 321 HG LEU 49 HG LEU 49 -10.652 -4.947 4.588 322 HD11 LEU 49 1HD1 LEU 49 -8.802 -4.253 6.176 323 HD12 LEU 49 2HD1 LEU 49 -9.563 -2.656 6.287 324 HD13 LEU 49 3HD1 LEU 49 -10.425 -4.093 6.866 325 HD21 LEU 49 3HD2 LEU 49 -12.141 -3.244 3.693 326 HD22 LEU 49 1HD2 LEU 49 -12.276 -3.260 5.463 327 HD23 LEU 49 2HD2 LEU 49 -11.353 -1.978 4.661 328 H GLN 50 H GLN 50 -7.150 -3.216 1.367 329 HA GLN 50 HA GLN 50 -8.394 -4.790 -0.716 330 HB2 GLN 50 1HB GLN 50 -7.908 -2.301 -0.720 331 HB3 GLN 50 2HB GLN 50 -6.209 -2.697 -0.936 332 HG2 GLN 50 1HG GLN 50 -7.074 -2.210 -3.113 333 HG3 GLN 50 2HG GLN 50 -6.889 -3.953 -3.060 334 HE21 GLN 50 1HE2 GLN 50 -8.699 -5.172 -3.614 335 HE22 GLN 50 2HE2 GLN 50 -10.370 -4.577 -3.537 336 H ALA 51 H ALA 51 -4.965 -4.373 0.362 337 HA ALA 51 HA ALA 51 -3.831 -6.197 -1.504 338 HB1 ALA 51 1HB ALA 51 -2.932 -5.334 1.284 339 HB2 ALA 51 2HB ALA 51 -1.918 -6.191 0.110 340 HB3 ALA 51 3HB ALA 51 -2.502 -4.550 -0.242 341 H GLY 52 H GLY 52 -4.956 -6.656 1.868 342 HA2 GLY 52 1HA GLY 52 -4.523 -9.538 1.841 343 HA3 GLY 52 2HA GLY 52 -5.156 -8.544 3.152 344 H ALA 53 H ALA 53 -6.892 -7.889 0.246 345 HA ALA 53 HA ALA 53 -9.340 -9.009 1.127 346 HB1 ALA 53 1HB ALA 53 -10.101 -8.550 -1.173 347 HB2 ALA 53 2HB ALA 53 -9.141 -7.197 -0.578 348 HB3 ALA 53 3HB ALA 53 -8.432 -8.362 -1.716 349 H ALA 54 H ALA 54 -6.640 -10.407 -0.502 350 HA ALA 54 HA ALA 54 -5.986 -12.314 -1.273 351 HB1 ALA 54 1HB ALA 54 -7.014 -13.352 0.718 352 HB2 ALA 54 2HB ALA 54 -8.503 -13.612 -0.221 353 HB3 ALA 54 3HB ALA 54 -6.986 -14.401 -0.727 354 H GLY 55 H GLY 55 -5.929 -13.030 -3.279 355 HA2 GLY 55 1HA GLY 55 -7.443 -13.768 -5.294 356 HA3 GLY 55 2HA GLY 55 -8.061 -12.114 -5.111 357 H SER 56 H SER 56 -6.038 -10.576 -4.492 358 HA SER 56 HA SER 56 -4.713 -10.373 -7.047 359 HB2 SER 56 1HB SER 56 -4.295 -8.736 -4.516 360 HB3 SER 56 2HB SER 56 -3.579 -8.386 -6.098 361 HG SER 56 HG SER 56 -6.373 -8.552 -5.508 362 H GLY 57 H GLY 57 -3.358 -11.012 -3.737 363 HA2 GLY 57 1HA GLY 57 -1.944 -13.063 -3.673 364 HA3 GLY 57 2HA GLY 57 -1.140 -12.501 -5.116 365 H CYS 58 H CYS 58 -1.841 -10.209 -2.462 366 HA CYS 58 HA CYS 58 0.865 -9.348 -2.572 367 HB2 CYS 58 1HB CYS 58 -1.389 -8.736 -0.622 368 HB3 CYS 58 2HB CYS 58 0.098 -7.820 -0.768 369 H ASP 59 H ASP 59 2.208 -8.967 -0.709 370 HA ASP 59 HA ASP 59 2.731 -11.247 1.074 371 HB2 ASP 59 1HB ASP 59 4.652 -10.208 0.257 372 HB3 ASP 59 2HB ASP 59 3.964 -8.589 0.363 373 H MET 60 H MET 60 2.443 -11.058 3.407 374 HA MET 60 HA MET 60 0.964 -8.784 4.509 375 HB2 MET 60 1HB MET 60 -0.024 -11.667 4.453 376 HB3 MET 60 2HB MET 60 -0.604 -10.491 5.603 377 HG2 MET 60 1HG MET 60 -0.785 -9.767 2.699 378 HG3 MET 60 2HG MET 60 -1.771 -11.071 3.252 379 HE1 MET 60 3HE MET 60 -4.153 -9.427 5.862 380 HE2 MET 60 1HE MET 60 -3.855 -10.861 4.851 381 HE3 MET 60 2HE MET 60 -2.706 -10.403 6.128 382 H GLU 61 H GLU 61 1.752 -8.424 6.580 383 HA GLU 61 HA GLU 61 3.036 -10.611 8.080 384 HB2 GLU 61 1HB GLU 61 4.174 -7.785 7.817 385 HB3 GLU 61 2HB GLU 61 4.730 -9.046 8.920 386 HG2 GLU 61 1HG GLU 61 5.061 -10.438 6.687 387 HG3 GLU 61 2HG GLU 61 5.084 -8.846 5.932 Start of MODEL 19 1 H1 TYR 1 H TYR 1 -13.634 5.215 2.726 2 HA TYR 1 HA TYR 1 -12.624 7.970 3.036 3 HB2 TYR 1 1HB TYR 1 -12.794 6.573 5.053 4 HB3 TYR 1 2HB TYR 1 -11.809 5.323 4.307 5 HD1 TYR 1 2HD TYR 1 -9.374 5.685 3.896 6 HD2 TYR 1 1HD TYR 1 -11.826 8.609 5.926 7 HE1 TYR 1 2HE TYR 1 -7.353 6.801 4.657 8 HE2 TYR 1 1HE TYR 1 -9.780 9.757 6.738 9 HH TYR 1 HH TYR 1 -6.613 8.450 6.509 10 H ASN 2 H ASN 2 -11.126 8.698 1.567 11 HA ASN 2 HA ASN 2 -10.026 6.831 -0.390 12 HB2 ASN 2 1HB ASN 2 -9.634 9.814 0.039 13 HB3 ASN 2 2HB ASN 2 -8.823 8.868 -1.166 14 HD21 ASN 2 1HD2 ASN 2 -9.873 10.468 -2.681 15 HD22 ASN 2 2HD2 ASN 2 -11.404 9.969 -3.322 16 HA PRO 3 HA PRO 3 -6.711 5.908 2.608 17 HB2 PRO 3 1HB PRO 3 -5.232 5.050 0.136 18 HB3 PRO 3 2HB PRO 3 -5.499 4.144 1.658 19 HG2 PRO 3 1HG PRO 3 -6.895 3.714 -0.712 20 HG3 PRO 3 2HG PRO 3 -7.581 3.393 0.920 21 HD2 PRO 3 1HD PRO 3 -8.150 5.550 -1.026 22 HD3 PRO 3 2HD PRO 3 -9.150 4.829 0.294 23 H GLU 4 H GLU 4 -6.348 7.624 -0.378 24 HA GLU 4 HA GLU 4 -3.774 8.672 -0.313 25 HB2 GLU 4 1HB GLU 4 -6.459 9.440 -1.523 26 HB3 GLU 4 2HB GLU 4 -5.004 10.378 -1.880 27 HG2 GLU 4 1HG GLU 4 -3.922 8.603 -2.994 28 HG3 GLU 4 2HG GLU 4 -4.886 7.373 -2.198 29 H ASP 5 H ASP 5 -6.207 9.382 1.981 30 HA ASP 5 HA ASP 5 -5.337 12.157 2.508 31 HB2 ASP 5 1HB ASP 5 -7.259 10.230 3.827 32 HB3 ASP 5 2HB ASP 5 -6.754 11.713 4.629 33 H ASP 6 H ASP 6 -4.496 8.877 3.553 34 HA ASP 6 HA ASP 6 -2.611 9.983 5.619 35 HB2 ASP 6 1HB ASP 6 -3.710 7.180 5.335 36 HB3 ASP 6 2HB ASP 6 -2.507 7.707 6.502 37 H TYR 7 H TYR 7 -2.417 9.807 2.557 38 HA TYR 7 HA TYR 7 -0.440 7.805 1.905 39 HB2 TYR 7 1HB TYR 7 -1.740 8.727 0.151 40 HB3 TYR 7 2HB TYR 7 -1.374 10.383 0.629 41 HD1 TYR 7 1HD TYR 7 0.654 7.296 -0.301 42 HD2 TYR 7 2HD TYR 7 -0.055 11.523 -0.890 43 HE1 TYR 7 1HE TYR 7 2.415 7.362 -2.042 44 HE2 TYR 7 2HE TYR 7 1.757 11.589 -2.584 45 HH TYR 7 HH TYR 7 3.584 8.658 -3.539 46 H THR 8 H THR 8 1.706 7.833 2.528 47 HA THR 8 HA THR 8 2.857 10.382 3.539 48 HB THR 8 HB THR 8 4.287 8.740 4.875 49 HG1 THR 8 1HG THR 8 2.905 6.792 5.273 50 HG21 THR 8 3HG2 THR 8 2.681 8.624 6.634 51 HG22 THR 8 1HG2 THR 8 2.383 10.135 5.786 52 HG23 THR 8 2HG2 THR 8 1.316 8.750 5.531 53 HA PRO 9 HA PRO 9 5.324 9.265 -0.264 54 HB2 PRO 9 1HB PRO 9 5.753 11.808 -1.176 55 HB3 PRO 9 2HB PRO 9 4.349 10.812 -1.591 56 HG2 PRO 9 1HG PRO 9 4.540 12.998 0.466 57 HG3 PRO 9 2HG PRO 9 3.207 12.633 -0.673 58 HD2 PRO 9 1HD PRO 9 3.163 11.887 1.961 59 HD3 PRO 9 2HD PRO 9 2.372 10.925 0.669 60 H LEU 10 H LEU 10 5.950 11.579 2.378 61 HA LEU 10 HA LEU 10 8.649 11.934 2.239 62 HB2 LEU 10 1HB LEU 10 6.671 11.454 4.520 63 HB3 LEU 10 2HB LEU 10 8.379 11.775 4.822 64 HG LEU 10 HG LEU 10 8.180 13.856 3.433 65 HD11 LEU 10 1HD1 LEU 10 6.261 13.588 2.073 66 HD12 LEU 10 2HD1 LEU 10 5.208 13.298 3.486 67 HD13 LEU 10 3HD1 LEU 10 5.933 14.889 3.179 68 HD21 LEU 10 3HD2 LEU 10 6.384 13.632 5.894 69 HD22 LEU 10 1HD2 LEU 10 8.128 13.965 5.880 70 HD23 LEU 10 2HD2 LEU 10 7.000 15.152 5.223 71 H THR 11 H THR 11 6.990 8.872 2.739 72 HA THR 11 HA THR 11 9.618 7.621 2.994 73 HB THR 11 HB THR 11 8.808 7.395 5.077 74 HG1 THR 11 1HG THR 11 9.175 5.321 5.271 75 HG21 THR 11 3HG2 THR 11 6.513 6.183 3.635 76 HG22 THR 11 1HG2 THR 11 6.736 6.068 5.419 77 HG23 THR 11 2HG2 THR 11 6.554 7.663 4.622 78 H CYS 12 H CYS 12 6.408 7.558 1.467 79 HA CYS 12 HA CYS 12 6.672 5.056 0.265 80 HB2 CYS 12 1HB CYS 12 4.595 6.426 0.723 81 HB3 CYS 12 2HB CYS 12 4.981 7.371 -0.691 82 HA PRO 13 HA PRO 13 9.349 6.425 -3.214 83 HB2 PRO 13 1HB PRO 13 9.583 3.764 -4.272 84 HB3 PRO 13 2HB PRO 13 10.735 4.646 -3.204 85 HG2 PRO 13 1HG PRO 13 8.707 2.578 -2.636 86 HG3 PRO 13 2HG PRO 13 10.201 2.941 -1.740 87 HD2 PRO 13 1HD PRO 13 7.611 3.579 -0.955 88 HD3 PRO 13 2HD PRO 13 9.099 4.365 -0.374 89 H HIS 14 H HIS 14 6.160 5.867 -3.317 90 HA HIS 14 HA HIS 14 6.008 5.586 -6.299 91 HB2 HIS 14 1HB HIS 14 4.002 4.301 -4.475 92 HB3 HIS 14 2HB HIS 14 4.329 3.928 -6.146 93 HD1 HIS 14 1HD HIS 14 6.213 1.929 -6.511 94 HD2 HIS 14 2HD HIS 14 5.399 3.146 -2.588 95 HE1 HIS 14 1HE HIS 14 7.094 0.156 -4.931 96 HE2 HIS 14 2HE HIS 14 6.650 0.889 -2.639 97 H THR 15 H THR 15 4.368 6.812 -7.312 98 HA THR 15 HA THR 15 3.766 9.242 -5.931 99 HB THR 15 HB THR 15 2.811 9.855 -8.099 100 HG1 THR 15 1HG THR 15 2.803 8.387 -9.780 101 HG21 THR 15 3HG2 THR 15 4.809 9.576 -9.498 102 HG22 THR 15 1HG2 THR 15 5.286 9.888 -7.827 103 HG23 THR 15 2HG2 THR 15 5.366 8.234 -8.473 104 H ILE 16 H ILE 16 1.555 10.258 -5.916 105 HA ILE 16 HA ILE 16 -0.289 8.533 -4.678 106 HB ILE 16 HB ILE 16 -0.009 11.033 -4.438 107 HG12 ILE 16 1HG1 ILE 16 -2.877 10.058 -4.728 108 HG13 ILE 16 2HG1 ILE 16 -1.804 9.686 -3.371 109 HG21 ILE 16 1HG2 ILE 16 -0.250 11.518 -6.939 110 HG22 ILE 16 2HG2 ILE 16 -1.997 11.284 -6.714 111 HG23 ILE 16 3HG2 ILE 16 -1.150 12.572 -5.838 112 HD11 ILE 16 3HD1 ILE 16 -2.820 12.443 -4.158 113 HD12 ILE 16 1HD1 ILE 16 -3.210 11.514 -2.704 114 HD13 ILE 16 2HD1 ILE 16 -1.574 12.152 -2.919 115 H SER 17 H SER 17 0.276 9.085 -8.026 116 HA SER 17 HA SER 17 -2.260 8.049 -9.009 117 HB2 SER 17 1HB SER 17 0.149 9.145 -10.156 118 HB3 SER 17 2HB SER 17 -0.347 7.682 -11.021 119 HG SER 17 HG SER 17 -2.480 8.608 -11.129 120 H VAL 18 H VAL 18 0.894 6.596 -8.024 121 HA VAL 18 HA VAL 18 -0.200 3.960 -8.855 122 HB VAL 18 HB VAL 18 1.675 3.244 -9.961 123 HG11 VAL 18 1HG1 VAL 18 0.261 4.768 -11.329 124 HG12 VAL 18 2HG1 VAL 18 1.408 6.089 -10.992 125 HG13 VAL 18 3HG1 VAL 18 1.931 4.655 -11.889 126 HG21 VAL 18 3HG2 VAL 18 3.719 4.994 -10.247 127 HG22 VAL 18 1HG2 VAL 18 3.112 5.465 -8.623 128 HG23 VAL 18 2HG2 VAL 18 3.606 3.809 -8.915 129 H VAL 19 H VAL 19 -0.205 5.253 -6.313 130 HA VAL 19 HA VAL 19 1.664 3.457 -4.894 131 HB VAL 19 HB VAL 19 1.579 5.697 -4.090 132 HG11 VAL 19 1HG1 VAL 19 -0.762 6.327 -4.714 133 HG12 VAL 19 2HG1 VAL 19 -1.363 5.376 -3.345 134 HG13 VAL 19 3HG1 VAL 19 -0.325 6.772 -3.066 135 HG21 VAL 19 3HG2 VAL 19 0.204 3.848 -2.089 136 HG22 VAL 19 1HG2 VAL 19 1.927 3.845 -2.477 137 HG23 VAL 19 2HG2 VAL 19 1.187 5.267 -1.712 138 H TRP 20 H TRP 20 -1.868 4.089 -5.103 139 HA TRP 20 HA TRP 20 -2.684 2.025 -3.457 140 HB2 TRP 20 1HB TRP 20 -4.126 3.811 -4.307 141 HB3 TRP 20 2HB TRP 20 -4.083 3.116 -5.924 142 HD1 TRP 20 HD TRP 20 -5.977 1.411 -6.432 143 HE1 TRP 20 1HE TRP 20 -7.735 0.146 -5.064 144 HE3 TRP 20 3HE TRP 20 -4.249 2.479 -1.740 145 HZ2 TRP 20 2HZ TRP 20 -8.488 -0.073 -2.246 146 HZ3 TRP 20 3HZ TRP 20 -5.470 1.726 0.251 147 HH2 TRP 20 HH TRP 20 -7.670 0.583 0.000 148 H TYR 21 H TYR 21 -2.881 1.743 -7.050 149 HA TYR 21 HA TYR 21 -3.176 -0.984 -7.358 150 HB2 TYR 21 1HB TYR 21 -3.182 0.407 -9.270 151 HB3 TYR 21 2HB TYR 21 -1.614 1.109 -8.906 152 HD1 TYR 21 2HD TYR 21 0.508 -0.133 -9.335 153 HD2 TYR 21 1HD TYR 21 -3.348 -1.739 -10.476 154 HE1 TYR 21 2HE TYR 21 1.631 -1.871 -10.716 155 HE2 TYR 21 1HE TYR 21 -2.213 -3.331 -11.991 156 HH TYR 21 HH TYR 21 1.334 -3.418 -12.477 157 H GLU 22 H GLU 22 -0.103 0.758 -6.698 158 HA GLU 22 HA GLU 22 1.567 -1.453 -7.356 159 HB2 GLU 22 1HB GLU 22 2.924 0.487 -7.489 160 HB3 GLU 22 2HB GLU 22 1.608 1.304 -6.757 161 HG2 GLU 22 1HG GLU 22 3.403 1.813 -5.454 162 HG3 GLU 22 2HG GLU 22 2.468 0.724 -4.459 163 H CYS 23 H CYS 23 -0.155 -0.433 -4.426 164 HA CYS 23 HA CYS 23 1.421 -2.246 -2.712 165 HB2 CYS 23 1HB CYS 23 0.835 0.390 -2.429 166 HB3 CYS 23 2HB CYS 23 -0.602 -0.273 -1.722 167 H THR 24 H THR 24 -1.351 -2.360 -4.592 168 HA THR 24 HA THR 24 -2.703 -4.149 -2.677 169 HB THR 24 HB THR 24 -4.881 -3.180 -3.165 170 HG1 THR 24 1HG THR 24 -3.441 -1.174 -4.524 171 HG21 THR 24 3HG2 THR 24 -2.933 -1.001 -2.249 172 HG22 THR 24 1HG2 THR 24 -4.694 -1.041 -1.998 173 HG23 THR 24 2HG2 THR 24 -3.664 -2.256 -1.229 174 H GLU 25 H GLU 25 -1.504 -3.876 -5.829 175 HA GLU 25 HA GLU 25 -3.123 -6.149 -6.787 176 HB2 GLU 25 1HB GLU 25 -3.697 -3.857 -7.774 177 HB3 GLU 25 2HB GLU 25 -2.097 -3.825 -8.480 178 HG2 GLU 25 1HG GLU 25 -4.139 -6.020 -8.908 179 HG3 GLU 25 2HG GLU 25 -3.971 -4.628 -9.986 180 H ASN 26 H ASN 26 -0.184 -4.191 -7.226 181 HA ASN 26 HA ASN 26 1.302 -6.138 -8.637 182 HB2 ASN 26 1HB ASN 26 1.779 -3.744 -8.759 183 HB3 ASN 26 2HB ASN 26 2.206 -3.753 -7.026 184 HD21 ASN 26 1HD2 ASN 26 4.252 -2.789 -7.755 185 HD22 ASN 26 2HD2 ASN 26 5.513 -3.826 -8.375 186 H THR 27 H THR 27 1.351 -8.163 -7.523 187 HA THR 27 HA THR 27 2.018 -8.382 -4.781 188 HB THR 27 HB THR 27 2.165 -10.870 -5.543 189 HG1 THR 27 1HG THR 27 0.991 -11.182 -7.468 190 HG21 THR 27 3HG2 THR 27 -0.319 -10.964 -5.607 191 HG22 THR 27 1HG2 THR 27 0.277 -9.894 -4.330 192 HG23 THR 27 2HG2 THR 27 -0.365 -9.196 -5.831 193 H ALA 28 H ALA 28 4.172 -7.540 -7.201 194 HA ALA 28 HA ALA 28 6.492 -8.892 -6.253 195 HB1 ALA 28 1HB ALA 28 7.732 -7.058 -7.238 196 HB2 ALA 28 2HB ALA 28 6.389 -7.473 -8.317 197 HB3 ALA 28 3HB ALA 28 6.283 -6.035 -7.278 198 H ASN 29 H ASN 29 4.617 -6.142 -4.904 199 HA ASN 29 HA ASN 29 6.365 -6.283 -2.479 200 HB2 ASN 29 1HB ASN 29 6.453 -3.792 -2.375 201 HB3 ASN 29 2HB ASN 29 6.903 -4.301 -3.970 202 HD21 ASN 29 1HD2 ASN 29 5.753 -3.391 -5.634 203 HD22 ASN 29 2HD2 ASN 29 4.379 -2.350 -5.223 204 H CYS 30 H CYS 30 3.050 -5.906 -3.737 205 HA CYS 30 HA CYS 30 2.066 -4.420 -1.707 206 HB2 CYS 30 1HB CYS 30 -0.150 -5.167 -2.319 207 HB3 CYS 30 2HB CYS 30 0.844 -4.857 -3.751 208 H GLY 31 H GLY 31 1.077 -4.659 0.280 209 HA2 GLY 31 1HA GLY 31 0.063 -6.796 1.596 210 HA3 GLY 31 2HA GLY 31 1.820 -6.990 1.804 211 H THR 32 H THR 32 0.636 -6.615 4.044 212 HA THR 32 HA THR 32 -0.290 -4.086 4.874 213 HB THR 32 HB THR 32 0.996 -6.389 6.369 214 HG1 THR 32 1HG THR 32 -0.968 -6.697 5.206 215 HG21 THR 32 3HG2 THR 32 1.214 -4.629 7.920 216 HG22 THR 32 1HG2 THR 32 -0.288 -3.860 7.438 217 HG23 THR 32 2HG2 THR 32 -0.336 -5.384 8.344 218 H ALA 33 H ALA 33 2.933 -5.335 4.846 219 HA ALA 33 HA ALA 33 4.236 -3.186 6.261 220 HB1 ALA 33 1HB ALA 33 5.367 -5.326 6.053 221 HB2 ALA 33 2HB ALA 33 5.437 -5.165 4.278 222 HB3 ALA 33 3HB ALA 33 6.356 -4.063 5.314 223 H CYS 34 H CYS 34 4.001 -3.811 2.681 224 HA CYS 34 HA CYS 34 5.093 -1.353 1.787 225 HB2 CYS 34 1HB CYS 34 4.471 -3.018 0.154 226 HB3 CYS 34 2HB CYS 34 2.795 -3.018 0.672 227 H CYS 35 H CYS 35 1.775 -2.178 2.749 228 HA CYS 35 HA CYS 35 0.672 0.372 2.311 229 HB2 CYS 35 1HB CYS 35 -0.167 -1.750 4.292 230 HB3 CYS 35 2HB CYS 35 -1.120 -0.350 3.868 231 H ASP 36 H ASP 36 2.309 -0.865 5.315 232 HA ASP 36 HA ASP 36 1.741 1.542 6.826 233 HB2 ASP 36 1HB ASP 36 2.442 -0.892 7.580 234 HB3 ASP 36 2HB ASP 36 4.076 -0.270 7.435 235 H SER 37 H SER 37 4.123 0.713 4.486 236 HA SER 37 HA SER 37 5.877 3.011 5.035 237 HB2 SER 37 1HB SER 37 5.971 0.806 2.952 238 HB3 SER 37 2HB SER 37 7.221 2.029 3.235 239 HG SER 37 HG SER 37 7.482 -0.106 4.186 240 H CYS 38 H CYS 38 2.902 2.823 3.492 241 HA CYS 38 HA CYS 38 3.636 5.154 1.843 242 HB2 CYS 38 1HB CYS 38 2.288 2.596 0.975 243 HB3 CYS 38 2HB CYS 38 1.861 4.104 0.215 244 H PHE 39 H PHE 39 1.415 3.649 4.003 245 HA PHE 39 HA PHE 39 -0.416 5.907 3.826 246 HB2 PHE 39 1HB PHE 39 -1.136 2.942 3.826 247 HB3 PHE 39 2HB PHE 39 -2.260 4.202 4.160 248 HD1 PHE 39 1HD PHE 39 -2.371 6.123 2.187 249 HD2 PHE 39 2HD PHE 39 -0.999 2.066 1.661 250 HE1 PHE 39 1HE PHE 39 -2.868 6.259 -0.221 251 HE2 PHE 39 2HE PHE 39 -1.534 2.190 -0.738 252 HZ PHE 39 HZ PHE 39 -2.479 4.282 -1.680 253 H GLU 40 H GLU 40 -1.572 6.048 5.954 254 HA GLU 40 HA GLU 40 -0.440 4.303 8.069 255 HB2 GLU 40 1HB GLU 40 -0.896 7.278 8.348 256 HB3 GLU 40 2HB GLU 40 -0.208 6.193 9.552 257 HG2 GLU 40 1HG GLU 40 1.725 5.745 8.064 258 HG3 GLU 40 2HG GLU 40 1.099 7.024 6.994 259 H LEU 41 H LEU 41 -1.794 4.405 10.019 260 HA LEU 41 HA LEU 41 -3.784 4.191 11.126 261 HB2 LEU 41 1HB LEU 41 -4.216 6.840 9.690 262 HB3 LEU 41 2HB LEU 41 -4.920 6.341 11.227 263 HG LEU 41 HG LEU 41 -1.937 6.778 10.764 264 HD11 LEU 41 1HD1 LEU 41 -4.130 8.584 11.734 265 HD12 LEU 41 2HD1 LEU 41 -2.425 8.863 12.154 266 HD13 LEU 41 3HD1 LEU 41 -2.939 8.863 10.463 267 HD21 LEU 41 3HD2 LEU 41 -1.844 6.795 13.234 268 HD22 LEU 41 1HD2 LEU 41 -3.549 6.279 13.285 269 HD23 LEU 41 2HD2 LEU 41 -2.304 5.225 12.579 270 H THR 42 H THR 42 -5.925 6.019 9.186 271 HA THR 42 HA THR 42 -7.624 3.683 8.868 272 HB THR 42 HB THR 42 -7.961 6.513 7.772 273 HG1 THR 42 1HG THR 42 -8.898 5.307 10.171 274 HG21 THR 42 3HG2 THR 42 -9.470 4.818 6.731 275 HG22 THR 42 1HG2 THR 42 -10.014 4.309 8.346 276 HG23 THR 42 2HG2 THR 42 -10.368 5.949 7.745 277 H GLY 43 H GLY 43 -5.700 5.807 6.646 278 HA2 GLY 43 1HA GLY 43 -6.490 4.527 4.229 279 HA3 GLY 43 2HA GLY 43 -5.015 5.474 4.491 280 H ASN 44 H ASN 44 -4.086 3.698 6.678 281 HA ASN 44 HA ASN 44 -2.570 1.785 5.207 282 HB2 ASN 44 1HB ASN 44 -1.716 2.651 7.277 283 HB3 ASN 44 2HB ASN 44 -3.103 2.045 8.193 284 HD21 ASN 44 1HD2 ASN 44 -0.430 0.998 6.077 285 HD22 ASN 44 2HD2 ASN 44 -0.138 -0.505 6.950 286 H THR 45 H THR 45 -5.267 1.284 7.624 287 HA THR 45 HA THR 45 -5.571 -1.415 6.921 288 HB THR 45 HB THR 45 -7.622 0.698 7.790 289 HG1 THR 45 1HG THR 45 -5.743 -0.694 9.195 290 HG21 THR 45 3HG2 THR 45 -8.045 -2.279 7.881 291 HG22 THR 45 1HG2 THR 45 -9.017 -1.093 8.776 292 HG23 THR 45 2HG2 THR 45 -8.996 -1.045 7.016 293 H MET 46 H MET 46 -7.156 1.496 5.304 294 HA MET 46 HA MET 46 -8.865 -0.036 3.733 295 HB2 MET 46 1HB MET 46 -7.626 2.660 3.046 296 HB3 MET 46 2HB MET 46 -8.974 1.850 2.250 297 HG2 MET 46 1HG MET 46 -8.918 3.312 4.797 298 HG3 MET 46 2HG MET 46 -10.176 2.990 3.644 299 HE1 MET 46 3HE MET 46 -11.403 3.467 6.134 300 HE2 MET 46 1HE MET 46 -12.264 2.711 4.773 301 HE3 MET 46 2HE MET 46 -12.434 2.039 6.400 302 H CYS 47 H CYS 47 -5.438 0.743 3.198 303 HA CYS 47 HA CYS 47 -5.038 -0.522 0.666 304 HB2 CYS 47 1HB CYS 47 -3.448 0.979 2.066 305 HB3 CYS 47 2HB CYS 47 -3.143 -0.480 3.034 306 H LEU 48 H LEU 48 -4.308 -1.906 4.005 307 HA LEU 48 HA LEU 48 -3.910 -4.434 3.432 308 HB2 LEU 48 1HB LEU 48 -5.428 -3.098 5.721 309 HB3 LEU 48 2HB LEU 48 -5.091 -4.805 5.675 310 HG LEU 48 HG LEU 48 -2.767 -4.189 5.209 311 HD11 LEU 48 1HD1 LEU 48 -1.488 -2.557 6.009 312 HD12 LEU 48 2HD1 LEU 48 -2.574 -1.974 4.766 313 HD13 LEU 48 3HD1 LEU 48 -2.931 -1.621 6.489 314 HD21 LEU 48 3HD2 LEU 48 -4.181 -3.851 7.867 315 HD22 LEU 48 1HD2 LEU 48 -3.170 -5.211 7.353 316 HD23 LEU 48 2HD2 LEU 48 -2.416 -3.682 7.861 317 H LEU 49 H LEU 49 -7.213 -3.076 3.757 318 HA LEU 49 HA LEU 49 -8.525 -5.540 3.353 319 HB2 LEU 49 1HB LEU 49 -9.347 -2.716 3.286 320 HB3 LEU 49 2HB LEU 49 -10.133 -3.629 2.000 321 HG LEU 49 HG LEU 49 -10.652 -5.417 3.840 322 HD11 LEU 49 1HD1 LEU 49 -10.280 -2.937 5.591 323 HD12 LEU 49 2HD1 LEU 49 -10.843 -4.554 6.112 324 HD13 LEU 49 3HD1 LEU 49 -9.187 -4.320 5.572 325 HD21 LEU 49 3HD2 LEU 49 -12.761 -4.340 4.312 326 HD22 LEU 49 1HD2 LEU 49 -12.102 -2.746 3.837 327 HD23 LEU 49 2HD2 LEU 49 -12.308 -4.054 2.654 328 H GLN 50 H GLN 50 -7.391 -3.267 0.801 329 HA GLN 50 HA GLN 50 -8.615 -4.933 -1.303 330 HB2 GLN 50 1HB GLN 50 -8.383 -2.341 -1.325 331 HB3 GLN 50 2HB GLN 50 -6.664 -2.578 -1.534 332 HG2 GLN 50 1HG GLN 50 -7.692 -2.184 -3.692 333 HG3 GLN 50 2HG GLN 50 -7.039 -3.798 -3.650 334 HE21 GLN 50 1HE2 GLN 50 -8.393 -5.388 -4.495 335 HE22 GLN 50 2HE2 GLN 50 -10.133 -5.248 -4.638 336 H ALA 51 H ALA 51 -5.391 -4.283 -0.019 337 HA ALA 51 HA ALA 51 -3.895 -5.865 -1.864 338 HB1 ALA 51 1HB ALA 51 -2.848 -4.246 -0.285 339 HB2 ALA 51 2HB ALA 51 -3.357 -5.231 1.080 340 HB3 ALA 51 3HB ALA 51 -2.179 -5.861 -0.075 341 H GLY 52 H GLY 52 -5.006 -6.663 1.486 342 HA2 GLY 52 1HA GLY 52 -4.132 -9.374 1.241 343 HA3 GLY 52 2HA GLY 52 -4.957 -8.599 2.586 344 H ALA 53 H ALA 53 -6.998 -8.030 0.142 345 HA ALA 53 HA ALA 53 -9.019 -9.254 -0.486 346 HB1 ALA 53 1HB ALA 53 -6.582 -9.651 -2.176 347 HB2 ALA 53 2HB ALA 53 -8.278 -9.867 -2.679 348 HB3 ALA 53 3HB ALA 53 -7.720 -8.259 -2.153 349 H ALA 54 H ALA 54 -9.620 -10.696 0.869 350 HA ALA 54 HA ALA 54 -9.912 -12.687 2.011 351 HB1 ALA 54 1HB ALA 54 -11.379 -12.736 -0.008 352 HB2 ALA 54 2HB ALA 54 -10.097 -13.601 -0.893 353 HB3 ALA 54 3HB ALA 54 -10.914 -14.369 0.495 354 H GLY 55 H GLY 55 -7.192 -12.282 1.758 355 HA2 GLY 55 1HA GLY 55 -5.131 -13.194 1.964 356 HA3 GLY 55 2HA GLY 55 -5.912 -14.614 2.674 357 H SER 56 H SER 56 -5.012 -13.049 -0.401 358 HA SER 56 HA SER 56 -4.295 -15.704 -1.472 359 HB2 SER 56 1HB SER 56 -6.039 -13.635 -2.797 360 HB3 SER 56 2HB SER 56 -5.014 -14.702 -3.776 361 HG SER 56 HG SER 56 -7.113 -15.373 -2.015 362 H GLY 57 H GLY 57 -3.878 -12.528 -3.142 363 HA2 GLY 57 1HA GLY 57 -1.294 -13.514 -3.907 364 HA3 GLY 57 2HA GLY 57 -2.047 -11.991 -4.390 365 H CYS 58 H CYS 58 -2.149 -10.354 -2.489 366 HA CYS 58 HA CYS 58 0.503 -9.711 -1.493 367 HB2 CYS 58 1HB CYS 58 -2.159 -8.597 -0.579 368 HB3 CYS 58 2HB CYS 58 -0.599 -7.815 -0.487 369 H ASP 59 H ASP 59 0.662 -9.223 1.024 370 HA ASP 59 HA ASP 59 -0.515 -11.517 2.535 371 HB2 ASP 59 1HB ASP 59 1.670 -12.133 1.693 372 HB3 ASP 59 2HB ASP 59 2.359 -10.607 2.284 373 H MET 60 H MET 60 -0.247 -11.323 4.883 374 HA MET 60 HA MET 60 -0.476 -8.544 5.842 375 HB2 MET 60 1HB MET 60 -2.370 -10.804 6.577 376 HB3 MET 60 2HB MET 60 -2.482 -9.096 7.035 377 HG2 MET 60 1HG MET 60 -2.570 -8.649 4.472 378 HG3 MET 60 2HG MET 60 -2.852 -10.366 4.304 379 HE1 MET 60 3HE MET 60 -5.827 -7.287 6.006 380 HE2 MET 60 1HE MET 60 -4.254 -7.552 6.791 381 HE3 MET 60 2HE MET 60 -4.323 -6.923 5.127 382 H GLU 61 H GLU 61 0.214 -8.143 7.893 383 HA GLU 61 HA GLU 61 2.410 -9.744 8.715 384 HB2 GLU 61 1HB GLU 61 2.791 -8.032 10.356 385 HB3 GLU 61 2HB GLU 61 2.270 -7.291 8.838 386 HG2 GLU 61 1HG GLU 61 -0.064 -7.116 9.834 387 HG3 GLU 61 2HG GLU 61 0.616 -7.629 11.379 Start of MODEL 20 1 H1 TYR 1 H TYR 1 -14.762 8.016 2.922 2 HA TYR 1 HA TYR 1 -12.669 9.203 2.703 3 HB2 TYR 1 1HB TYR 1 -12.932 8.004 4.800 4 HB3 TYR 1 2HB TYR 1 -12.432 6.487 4.064 5 HD1 TYR 1 2HD TYR 1 -11.235 10.003 4.680 6 HD2 TYR 1 1HD TYR 1 -10.099 5.848 4.077 7 HE1 TYR 1 2HE TYR 1 -8.843 10.586 4.950 8 HE2 TYR 1 1HE TYR 1 -7.756 6.457 4.406 9 HH TYR 1 HH TYR 1 -6.259 8.238 4.402 10 H ASN 2 H ASN 2 -10.946 9.509 1.386 11 HA ASN 2 HA ASN 2 -10.128 7.371 -0.501 12 HB2 ASN 2 1HB ASN 2 -9.718 9.277 -1.962 13 HB3 ASN 2 2HB ASN 2 -10.001 10.385 -0.505 14 HD21 ASN 2 1HD2 ASN 2 -8.140 11.330 -0.313 15 HD22 ASN 2 2HD2 ASN 2 -6.664 10.862 -1.150 16 HA PRO 3 HA PRO 3 -6.697 6.841 2.494 17 HB2 PRO 3 1HB PRO 3 -5.218 4.961 1.057 18 HB3 PRO 3 2HB PRO 3 -6.573 4.600 2.152 19 HG2 PRO 3 1HG PRO 3 -6.611 4.853 -0.855 20 HG3 PRO 3 2HG PRO 3 -7.491 3.694 0.197 21 HD2 PRO 3 1HD PRO 3 -8.703 5.849 -0.874 22 HD3 PRO 3 2HD PRO 3 -9.129 5.176 0.740 23 H GLU 4 H GLU 4 -6.357 7.780 -0.853 24 HA GLU 4 HA GLU 4 -3.679 8.678 -0.913 25 HB2 GLU 4 1HB GLU 4 -6.180 9.691 -2.528 26 HB3 GLU 4 2HB GLU 4 -4.467 10.014 -2.884 27 HG2 GLU 4 1HG GLU 4 -5.757 7.255 -2.811 28 HG3 GLU 4 2HG GLU 4 -5.541 8.240 -4.255 29 H ASP 5 H ASP 5 -6.052 9.735 1.234 30 HA ASP 5 HA ASP 5 -4.984 12.496 1.453 31 HB2 ASP 5 1HB ASP 5 -7.241 11.065 2.906 32 HB3 ASP 5 2HB ASP 5 -6.673 12.679 3.311 33 H ASP 6 H ASP 6 -4.493 9.305 2.796 34 HA ASP 6 HA ASP 6 -2.786 10.351 5.026 35 HB2 ASP 6 1HB ASP 6 -3.116 8.207 6.167 36 HB3 ASP 6 2HB ASP 6 -4.638 8.715 5.574 37 H TYR 7 H TYR 7 -2.588 9.527 1.895 38 HA TYR 7 HA TYR 7 -0.451 7.825 1.479 39 HB2 TYR 7 1HB TYR 7 -1.599 8.749 -0.366 40 HB3 TYR 7 2HB TYR 7 -1.295 10.404 0.157 41 HD1 TYR 7 1HD TYR 7 0.567 7.284 -0.826 42 HD2 TYR 7 2HD TYR 7 0.459 11.597 -0.870 43 HE1 TYR 7 1HE TYR 7 2.567 7.319 -2.273 44 HE2 TYR 7 2HE TYR 7 2.508 11.647 -2.256 45 HH TYR 7 HH TYR 7 4.023 8.598 -3.422 46 H THR 8 H THR 8 1.497 7.873 2.525 47 HA THR 8 HA THR 8 2.487 10.455 3.570 48 HB THR 8 HB THR 8 4.022 8.984 4.973 49 HG1 THR 8 1HG THR 8 2.002 7.089 4.373 50 HG21 THR 8 3HG2 THR 8 1.083 8.703 5.621 51 HG22 THR 8 1HG2 THR 8 2.438 8.762 6.746 52 HG23 THR 8 2HG2 THR 8 1.981 10.205 5.828 53 HA PRO 9 HA PRO 9 5.149 9.593 -0.095 54 HB2 PRO 9 1HB PRO 9 6.141 12.189 -0.279 55 HB3 PRO 9 2HB PRO 9 4.710 11.558 -1.160 56 HG2 PRO 9 1HG PRO 9 4.848 13.215 1.354 57 HG3 PRO 9 2HG PRO 9 3.642 13.292 0.034 58 HD2 PRO 9 1HD PRO 9 3.119 12.079 2.391 59 HD3 PRO 9 2HD PRO 9 2.471 11.447 0.855 60 H LEU 10 H LEU 10 5.900 10.680 3.121 61 HA LEU 10 HA LEU 10 8.521 11.542 2.833 62 HB2 LEU 10 1HB LEU 10 7.361 10.042 5.213 63 HB3 LEU 10 2HB LEU 10 8.836 10.984 5.186 64 HG LEU 10 HG LEU 10 5.974 11.944 5.094 65 HD11 LEU 10 1HD1 LEU 10 6.786 13.322 6.985 66 HD12 LEU 10 2HD1 LEU 10 7.144 11.627 7.248 67 HD13 LEU 10 3HD1 LEU 10 8.443 12.717 6.735 68 HD21 LEU 10 3HD2 LEU 10 6.784 14.257 4.645 69 HD22 LEU 10 1HD2 LEU 10 8.392 13.604 4.252 70 HD23 LEU 10 2HD2 LEU 10 6.971 13.202 3.252 71 H THR 11 H THR 11 7.414 8.144 3.441 72 HA THR 11 HA THR 11 10.137 7.357 2.498 73 HB THR 11 HB THR 11 10.067 5.473 3.889 74 HG1 THR 11 1HG THR 11 7.442 6.258 4.687 75 HG21 THR 11 3HG2 THR 11 9.089 7.832 5.573 76 HG22 THR 11 1HG2 THR 11 10.084 6.488 6.111 77 HG23 THR 11 2HG2 THR 11 10.744 7.645 4.944 78 H CYS 12 H CYS 12 6.914 7.500 1.436 79 HA CYS 12 HA CYS 12 6.640 4.832 0.540 80 HB2 CYS 12 1HB CYS 12 4.767 6.330 0.996 81 HB3 CYS 12 2HB CYS 12 5.182 7.297 -0.424 82 HA PRO 13 HA PRO 13 9.312 5.453 -3.076 83 HB2 PRO 13 1HB PRO 13 9.358 2.843 -3.994 84 HB3 PRO 13 2HB PRO 13 10.334 3.461 -2.639 85 HG2 PRO 13 1HG PRO 13 7.808 1.856 -2.541 86 HG3 PRO 13 2HG PRO 13 9.228 1.766 -1.479 87 HD2 PRO 13 1HD PRO 13 6.874 3.085 -0.851 88 HD3 PRO 13 2HD PRO 13 8.458 3.481 -0.157 89 H HIS 14 H HIS 14 6.148 5.642 -3.190 90 HA HIS 14 HA HIS 14 5.813 5.017 -6.077 91 HB2 HIS 14 1HB HIS 14 3.583 4.522 -4.156 92 HB3 HIS 14 2HB HIS 14 3.843 3.843 -5.767 93 HD1 HIS 14 1HD HIS 14 6.306 2.245 -5.776 94 HD2 HIS 14 2HD HIS 14 3.752 2.529 -2.420 95 HE1 HIS 14 1HE HIS 14 6.341 0.057 -4.574 96 HE2 HIS 14 2HE HIS 14 5.135 0.256 -2.398 97 H THR 15 H THR 15 4.689 6.499 -7.202 98 HA THR 15 HA THR 15 4.162 9.032 -5.870 99 HB THR 15 HB THR 15 3.720 9.764 -8.183 100 HG1 THR 15 1HG THR 15 4.663 7.325 -9.224 101 HG21 THR 15 3HG2 THR 15 6.008 9.808 -7.325 102 HG22 THR 15 1HG2 THR 15 6.270 8.128 -7.818 103 HG23 THR 15 2HG2 THR 15 6.014 9.380 -9.049 104 H ILE 16 H ILE 16 2.049 10.116 -5.947 105 HA ILE 16 HA ILE 16 0.075 8.387 -4.992 106 HB ILE 16 HB ILE 16 0.538 10.832 -4.495 107 HG12 ILE 16 1HG1 ILE 16 -2.359 9.927 -4.793 108 HG13 ILE 16 2HG1 ILE 16 -1.258 9.586 -3.459 109 HG21 ILE 16 1HG2 ILE 16 -1.414 11.404 -6.750 110 HG22 ILE 16 2HG2 ILE 16 -0.506 12.557 -5.748 111 HG23 ILE 16 3HG2 ILE 16 0.347 11.546 -6.923 112 HD11 ILE 16 3HD1 ILE 16 -2.346 12.304 -4.231 113 HD12 ILE 16 1HD1 ILE 16 -2.642 11.381 -2.750 114 HD13 ILE 16 2HD1 ILE 16 -1.036 12.064 -3.049 115 H SER 17 H SER 17 0.752 9.237 -8.267 116 HA SER 17 HA SER 17 -1.765 8.811 -9.479 117 HB2 SER 17 1HB SER 17 1.147 8.587 -10.359 118 HB3 SER 17 2HB SER 17 -0.224 8.457 -11.442 119 HG SER 17 HG SER 17 -0.497 10.502 -11.421 120 H VAL 18 H VAL 18 0.856 6.664 -8.315 121 HA VAL 18 HA VAL 18 -0.806 4.299 -8.942 122 HB VAL 18 HB VAL 18 1.072 3.141 -9.995 123 HG11 VAL 18 1HG1 VAL 18 -0.419 4.424 -11.521 124 HG12 VAL 18 2HG1 VAL 18 0.728 5.779 -11.482 125 HG13 VAL 18 3HG1 VAL 18 1.227 4.218 -12.146 126 HG21 VAL 18 3HG2 VAL 18 3.015 5.082 -10.631 127 HG22 VAL 18 1HG2 VAL 18 2.548 5.418 -8.922 128 HG23 VAL 18 2HG2 VAL 18 3.091 3.819 -9.352 129 H VAL 19 H VAL 19 -0.803 5.074 -6.621 130 HA VAL 19 HA VAL 19 1.231 3.413 -5.209 131 HB VAL 19 HB VAL 19 1.334 5.625 -4.425 132 HG11 VAL 19 1HG1 VAL 19 -0.471 6.718 -3.154 133 HG12 VAL 19 2HG1 VAL 19 -0.965 6.442 -4.814 134 HG13 VAL 19 3HG1 VAL 19 -1.583 5.413 -3.530 135 HG21 VAL 19 3HG2 VAL 19 0.096 3.844 -2.301 136 HG22 VAL 19 1HG2 VAL 19 1.775 3.776 -2.847 137 HG23 VAL 19 2HG2 VAL 19 1.163 5.224 -2.029 138 H TRP 20 H TRP 20 -2.351 4.014 -5.139 139 HA TRP 20 HA TRP 20 -2.945 1.945 -3.373 140 HB2 TRP 20 1HB TRP 20 -4.560 3.600 -4.071 141 HB3 TRP 20 2HB TRP 20 -4.604 2.958 -5.715 142 HD1 TRP 20 HD TRP 20 -6.101 0.834 -6.138 143 HE1 TRP 20 1HE TRP 20 -7.702 -0.552 -4.739 144 HE3 TRP 20 3HE TRP 20 -4.899 2.675 -1.508 145 HZ2 TRP 20 2HZ TRP 20 -8.647 -0.567 -1.940 146 HZ3 TRP 20 3HZ TRP 20 -6.111 1.915 0.489 147 HH2 TRP 20 HH TRP 20 -8.065 0.392 0.270 148 H TYR 21 H TYR 21 -3.292 1.623 -6.952 149 HA TYR 21 HA TYR 21 -3.505 -1.135 -7.199 150 HB2 TYR 21 1HB TYR 21 -3.707 0.071 -9.195 151 HB3 TYR 21 2HB TYR 21 -2.294 1.058 -8.874 152 HD1 TYR 21 2HD TYR 21 -3.421 -2.280 -10.093 153 HD2 TYR 21 1HD TYR 21 -0.064 0.388 -9.553 154 HE1 TYR 21 2HE TYR 21 -2.007 -3.755 -11.498 155 HE2 TYR 21 1HE TYR 21 1.345 -1.086 -10.907 156 HH TYR 21 HH TYR 21 1.342 -2.862 -12.403 157 H GLU 22 H GLU 22 -0.443 0.782 -6.729 158 HA GLU 22 HA GLU 22 1.242 -1.372 -7.562 159 HB2 GLU 22 1HB GLU 22 2.550 0.607 -7.655 160 HB3 GLU 22 2HB GLU 22 1.264 1.416 -6.867 161 HG2 GLU 22 1HG GLU 22 3.146 1.787 -5.686 162 HG3 GLU 22 2HG GLU 22 2.281 0.659 -4.648 163 H CYS 23 H CYS 23 -0.349 -0.420 -4.494 164 HA CYS 23 HA CYS 23 1.484 -1.961 -2.830 165 HB2 CYS 23 1HB CYS 23 0.565 0.553 -2.579 166 HB3 CYS 23 2HB CYS 23 -0.835 -0.244 -1.909 167 H THR 24 H THR 24 -1.431 -2.389 -4.511 168 HA THR 24 HA THR 24 -2.322 -4.401 -2.571 169 HB THR 24 HB THR 24 -4.653 -3.744 -2.950 170 HG1 THR 24 1HG THR 24 -3.619 -1.534 -4.388 171 HG21 THR 24 3HG2 THR 24 -2.954 -1.325 -2.159 172 HG22 THR 24 1HG2 THR 24 -4.674 -1.557 -1.825 173 HG23 THR 24 2HG2 THR 24 -3.472 -2.639 -1.080 174 H GLU 25 H GLU 25 -1.193 -4.020 -5.677 175 HA GLU 25 HA GLU 25 -2.659 -6.334 -6.791 176 HB2 GLU 25 1HB GLU 25 -3.352 -3.744 -7.278 177 HB3 GLU 25 2HB GLU 25 -2.068 -3.899 -8.439 178 HG2 GLU 25 1HG GLU 25 -3.481 -4.846 -9.894 179 HG3 GLU 25 2HG GLU 25 -3.685 -6.217 -8.793 180 H ASN 26 H ASN 26 0.208 -4.097 -7.015 181 HA ASN 26 HA ASN 26 1.497 -5.853 -8.927 182 HB2 ASN 26 1HB ASN 26 2.019 -3.459 -8.848 183 HB3 ASN 26 2HB ASN 26 2.764 -3.696 -7.250 184 HD21 ASN 26 1HD2 ASN 26 4.377 -2.747 -8.749 185 HD22 ASN 26 2HD2 ASN 26 5.589 -3.797 -9.515 186 H THR 27 H THR 27 1.706 -7.881 -8.233 187 HA THR 27 HA THR 27 2.057 -8.979 -5.766 188 HB THR 27 HB THR 27 3.185 -10.821 -7.203 189 HG1 THR 27 1HG THR 27 3.210 -10.454 -9.380 190 HG21 THR 27 3HG2 THR 27 0.492 -9.710 -8.137 191 HG22 THR 27 1HG2 THR 27 1.087 -11.375 -8.354 192 HG23 THR 27 2HG2 THR 27 0.747 -10.757 -6.730 193 H ALA 28 H ALA 28 4.584 -7.590 -7.855 194 HA ALA 28 HA ALA 28 6.807 -8.591 -6.449 195 HB1 ALA 28 1HB ALA 28 6.884 -7.658 -8.741 196 HB2 ALA 28 2HB ALA 28 6.573 -6.029 -8.084 197 HB3 ALA 28 3HB ALA 28 8.075 -6.884 -7.681 198 H ASN 29 H ASN 29 4.609 -6.191 -5.322 199 HA ASN 29 HA ASN 29 6.633 -5.184 -3.342 200 HB2 ASN 29 1HB ASN 29 4.587 -3.469 -4.777 201 HB3 ASN 29 2HB ASN 29 5.791 -2.920 -3.622 202 HD21 ASN 29 1HD2 ASN 29 5.268 -1.906 -6.193 203 HD22 ASN 29 2HD2 ASN 29 6.502 -2.390 -7.380 204 H CYS 30 H CYS 30 3.197 -5.705 -4.205 205 HA CYS 30 HA CYS 30 2.135 -4.271 -2.052 206 HB2 CYS 30 1HB CYS 30 0.041 -5.266 -2.648 207 HB3 CYS 30 2HB CYS 30 0.937 -4.831 -4.103 208 H GLY 31 H GLY 31 1.201 -4.850 -0.039 209 HA2 GLY 31 1HA GLY 31 0.743 -7.162 1.209 210 HA3 GLY 31 2HA GLY 31 2.513 -7.122 1.253 211 H THR 32 H THR 32 1.627 -7.188 3.604 212 HA THR 32 HA THR 32 0.334 -4.985 4.741 213 HB THR 32 HB THR 32 2.122 -6.986 6.134 214 HG1 THR 32 1HG THR 32 0.186 -7.630 5.007 215 HG21 THR 32 3HG2 THR 32 0.030 -5.137 7.372 216 HG22 THR 32 1HG2 THR 32 1.012 -6.354 8.193 217 HG23 THR 32 2HG2 THR 32 1.780 -4.900 7.531 218 H ALA 33 H ALA 33 3.883 -5.561 4.623 219 HA ALA 33 HA ALA 33 4.602 -3.136 5.873 220 HB1 ALA 33 1HB ALA 33 6.837 -3.506 4.851 221 HB2 ALA 33 2HB ALA 33 6.195 -4.941 5.658 222 HB3 ALA 33 3HB ALA 33 6.145 -4.815 3.878 223 H CYS 34 H CYS 34 3.623 -3.632 2.496 224 HA CYS 34 HA CYS 34 4.788 -1.172 1.495 225 HB2 CYS 34 1HB CYS 34 4.048 -2.881 -0.065 226 HB3 CYS 34 2HB CYS 34 2.386 -2.762 0.503 227 H CYS 35 H CYS 35 1.534 -2.088 2.697 228 HA CYS 35 HA CYS 35 0.420 0.535 2.603 229 HB2 CYS 35 1HB CYS 35 -0.197 -1.776 4.485 230 HB3 CYS 35 2HB CYS 35 -1.198 -0.347 4.279 231 H ASP 36 H ASP 36 2.095 -1.236 5.220 232 HA ASP 36 HA ASP 36 2.102 0.864 7.157 233 HB2 ASP 36 1HB ASP 36 2.348 -1.746 7.247 234 HB3 ASP 36 2HB ASP 36 4.065 -1.419 7.088 235 H SER 37 H SER 37 3.612 1.094 4.315 236 HA SER 37 HA SER 37 5.622 2.989 5.429 237 HB2 SER 37 1HB SER 37 6.027 1.046 3.125 238 HB3 SER 37 2HB SER 37 7.121 2.387 3.511 239 HG SER 37 HG SER 37 7.341 0.056 4.435 240 H CYS 38 H CYS 38 2.748 2.821 3.724 241 HA CYS 38 HA CYS 38 3.390 5.325 2.278 242 HB2 CYS 38 1HB CYS 38 1.991 2.830 1.292 243 HB3 CYS 38 2HB CYS 38 1.770 4.392 0.552 244 H PHE 39 H PHE 39 1.144 3.575 4.384 245 HA PHE 39 HA PHE 39 -0.767 5.817 4.199 246 HB2 PHE 39 1HB PHE 39 -1.323 2.839 3.861 247 HB3 PHE 39 2HB PHE 39 -2.573 3.992 4.212 248 HD1 PHE 39 1HD PHE 39 -2.728 6.183 2.467 249 HD2 PHE 39 2HD PHE 39 -0.905 2.302 1.664 250 HE1 PHE 39 1HE PHE 39 -2.907 6.526 0.040 251 HE2 PHE 39 2HE PHE 39 -1.216 2.645 -0.740 252 HZ PHE 39 HZ PHE 39 -2.228 4.780 -1.554 253 H GLU 40 H GLU 40 -2.049 5.981 6.046 254 HA GLU 40 HA GLU 40 -1.082 4.583 8.492 255 HB2 GLU 40 1HB GLU 40 -1.412 7.579 8.300 256 HB3 GLU 40 2HB GLU 40 -0.823 6.655 9.669 257 HG2 GLU 40 1HG GLU 40 1.033 5.902 7.841 258 HG3 GLU 40 2HG GLU 40 0.603 7.521 7.282 259 H LEU 41 H LEU 41 -2.404 4.993 10.344 260 HA LEU 41 HA LEU 41 -4.329 4.920 11.452 261 HB2 LEU 41 1HB LEU 41 -5.126 7.258 9.705 262 HB3 LEU 41 2HB LEU 41 -5.746 6.877 11.301 263 HG LEU 41 HG LEU 41 -2.848 7.668 10.656 264 HD11 LEU 41 1HD1 LEU 41 -3.364 9.843 11.565 265 HD12 LEU 41 2HD1 LEU 41 -4.383 9.475 10.169 266 HD13 LEU 41 3HD1 LEU 41 -5.068 9.367 11.814 267 HD21 LEU 41 3HD2 LEU 41 -4.275 7.450 13.343 268 HD22 LEU 41 1HD2 LEU 41 -3.025 6.347 12.718 269 HD23 LEU 41 2HD2 LEU 41 -2.611 8.027 13.061 270 H THR 42 H THR 42 -6.966 5.906 9.920 271 HA THR 42 HA THR 42 -7.758 3.273 9.252 272 HB THR 42 HB THR 42 -9.036 5.944 8.573 273 HG1 THR 42 1HG THR 42 -8.874 5.328 10.784 274 HG21 THR 42 3HG2 THR 42 -9.924 4.311 6.984 275 HG22 THR 42 1HG2 THR 42 -10.203 3.135 8.290 276 HG23 THR 42 2HG2 THR 42 -11.129 4.655 8.207 277 H GLY 43 H GLY 43 -5.982 5.646 7.291 278 HA2 GLY 43 1HA GLY 43 -6.222 4.965 4.668 279 HA3 GLY 43 2HA GLY 43 -4.842 5.275 5.669 280 H ASN 44 H ASN 44 -4.187 3.649 7.226 281 HA ASN 44 HA ASN 44 -2.820 1.662 5.756 282 HB2 ASN 44 1HB ASN 44 -2.138 2.703 7.969 283 HB3 ASN 44 2HB ASN 44 -3.305 1.651 8.764 284 HD21 ASN 44 1HD2 ASN 44 -0.357 1.726 6.721 285 HD22 ASN 44 2HD2 ASN 44 0.152 0.099 7.146 286 H THR 45 H THR 45 -5.651 1.446 8.024 287 HA THR 45 HA THR 45 -6.234 -1.238 7.667 288 HB THR 45 HB THR 45 -8.496 0.748 7.739 289 HG1 THR 45 1HG THR 45 -6.864 0.249 10.002 290 HG21 THR 45 3HG2 THR 45 -9.434 -0.802 9.384 291 HG22 THR 45 1HG2 THR 45 -8.964 -1.681 7.912 292 HG23 THR 45 2HG2 THR 45 -7.944 -1.768 9.359 293 H MET 46 H MET 46 -7.388 1.509 5.600 294 HA MET 46 HA MET 46 -8.968 -0.095 3.921 295 HB2 MET 46 1HB MET 46 -7.703 2.602 3.175 296 HB3 MET 46 2HB MET 46 -8.941 1.730 2.286 297 HG2 MET 46 1HG MET 46 -10.054 1.773 4.771 298 HG3 MET 46 2HG MET 46 -9.150 3.284 4.794 299 HE1 MET 46 3HE MET 46 -11.565 4.350 5.336 300 HE2 MET 46 1HE MET 46 -12.984 4.112 4.293 301 HE3 MET 46 2HE MET 46 -12.272 2.727 5.151 302 H CYS 47 H CYS 47 -5.595 0.958 3.442 303 HA CYS 47 HA CYS 47 -5.147 -0.286 0.915 304 HB2 CYS 47 1HB CYS 47 -3.675 1.374 1.909 305 HB3 CYS 47 2HB CYS 47 -3.286 0.315 3.259 306 H LEU 48 H LEU 48 -4.556 -1.537 4.242 307 HA LEU 48 HA LEU 48 -3.646 -4.109 3.505 308 HB2 LEU 48 1HB LEU 48 -5.129 -3.082 5.960 309 HB3 LEU 48 2HB LEU 48 -4.479 -4.697 5.832 310 HG LEU 48 HG LEU 48 -2.806 -2.143 5.667 311 HD11 LEU 48 1HD1 LEU 48 -1.986 -2.828 7.898 312 HD12 LEU 48 2HD1 LEU 48 -3.722 -2.488 7.916 313 HD13 LEU 48 3HD1 LEU 48 -3.146 -4.170 7.908 314 HD21 LEU 48 3HD2 LEU 48 -1.911 -5.029 5.814 315 HD22 LEU 48 1HD2 LEU 48 -1.732 -3.945 4.426 316 HD23 LEU 48 2HD2 LEU 48 -0.880 -3.576 5.921 317 H LEU 49 H LEU 49 -6.924 -2.957 4.185 318 HA LEU 49 HA LEU 49 -8.351 -5.299 3.998 319 HB2 LEU 49 1HB LEU 49 -9.107 -2.614 4.045 320 HB3 LEU 49 2HB LEU 49 -9.591 -3.076 2.430 321 HG LEU 49 HG LEU 49 -10.592 -5.221 3.734 322 HD11 LEU 49 1HD1 LEU 49 -10.730 -2.995 5.824 323 HD12 LEU 49 2HD1 LEU 49 -11.303 -4.681 5.973 324 HD13 LEU 49 3HD1 LEU 49 -9.578 -4.315 5.883 325 HD21 LEU 49 3HD2 LEU 49 -11.986 -2.518 3.719 326 HD22 LEU 49 1HD2 LEU 49 -11.938 -3.676 2.376 327 HD23 LEU 49 2HD2 LEU 49 -12.760 -4.104 3.888 328 H GLN 50 H GLN 50 -7.056 -3.401 1.247 329 HA GLN 50 HA GLN 50 -8.425 -5.144 -0.651 330 HB2 GLN 50 1HB GLN 50 -7.956 -2.591 -0.899 331 HB3 GLN 50 2HB GLN 50 -6.319 -3.061 -1.323 332 HG2 GLN 50 1HG GLN 50 -7.643 -2.841 -3.356 333 HG3 GLN 50 2HG GLN 50 -7.234 -4.532 -3.120 334 HE21 GLN 50 1HE2 GLN 50 -9.868 -2.283 -2.136 335 HE22 GLN 50 2HE2 GLN 50 -11.161 -3.437 -2.361 336 H ALA 51 H ALA 51 -5.053 -4.451 0.349 337 HA ALA 51 HA ALA 51 -3.701 -6.246 -1.340 338 HB1 ALA 51 1HB ALA 51 -2.551 -4.629 0.139 339 HB2 ALA 51 2HB ALA 51 -3.049 -5.565 1.569 340 HB3 ALA 51 3HB ALA 51 -1.934 -6.271 0.381 341 H GLY 52 H GLY 52 -5.155 -6.966 1.903 342 HA2 GLY 52 1HA GLY 52 -4.613 -9.828 1.544 343 HA3 GLY 52 2HA GLY 52 -5.283 -9.041 2.959 344 H ALA 53 H ALA 53 -7.025 -8.008 0.161 345 HA ALA 53 HA ALA 53 -9.439 -8.666 1.195 346 HB1 ALA 53 1HB ALA 53 -10.374 -8.396 -1.127 347 HB2 ALA 53 2HB ALA 53 -9.275 -7.107 -0.639 348 HB3 ALA 53 3HB ALA 53 -8.716 -8.368 -1.751 349 H ALA 54 H ALA 54 -7.939 -10.555 -1.450 350 HA ALA 54 HA ALA 54 -8.701 -13.004 -0.153 351 HB1 ALA 54 1HB ALA 54 -10.371 -12.768 -1.958 352 HB2 ALA 54 2HB ALA 54 -9.062 -12.520 -3.138 353 HB3 ALA 54 3HB ALA 54 -9.230 -14.082 -2.306 354 H GLY 55 H GLY 55 -6.478 -11.583 0.193 355 HA2 GLY 55 1HA GLY 55 -4.215 -11.814 0.338 356 HA3 GLY 55 2HA GLY 55 -4.340 -13.265 -0.655 357 H SER 56 H SER 56 -5.660 -11.387 -2.810 358 HA SER 56 HA SER 56 -5.013 -10.602 -4.776 359 HB2 SER 56 1HB SER 56 -5.154 -8.765 -2.935 360 HB3 SER 56 2HB SER 56 -3.440 -8.572 -3.246 361 HG SER 56 HG SER 56 -4.246 -7.247 -4.664 362 H GLY 57 H GLY 57 -2.610 -12.405 -3.482 363 HA2 GLY 57 1HA GLY 57 -0.704 -13.276 -4.465 364 HA3 GLY 57 2HA GLY 57 -0.736 -12.033 -5.714 365 H CYS 58 H CYS 58 -1.222 -10.757 -2.588 366 HA CYS 58 HA CYS 58 1.415 -9.502 -2.464 367 HB2 CYS 58 1HB CYS 58 -1.141 -9.166 -0.826 368 HB3 CYS 58 2HB CYS 58 0.272 -8.113 -0.776 369 H ASP 59 H ASP 59 1.549 -9.197 0.385 370 HA ASP 59 HA ASP 59 1.707 -11.926 1.476 371 HB2 ASP 59 1HB ASP 59 3.895 -10.220 0.606 372 HB3 ASP 59 2HB ASP 59 3.879 -10.239 2.351 373 H MET 60 H MET 60 0.732 -11.917 3.543 374 HA MET 60 HA MET 60 0.722 -9.371 4.989 375 HB2 MET 60 1HB MET 60 -1.670 -9.372 5.395 376 HB3 MET 60 2HB MET 60 -1.381 -9.329 3.655 377 HG2 MET 60 1HG MET 60 -2.069 -11.596 3.393 378 HG3 MET 60 2HG MET 60 -1.881 -11.946 5.095 379 HE1 MET 60 3HE MET 60 -5.188 -11.852 6.494 380 HE2 MET 60 1HE MET 60 -4.069 -13.023 5.763 381 HE3 MET 60 2HE MET 60 -3.463 -11.765 6.862 382 H GLU 61 H GLU 61 -0.286 -9.458 7.114 383 HA GLU 61 HA GLU 61 0.442 -11.981 8.521 384 HB2 GLU 61 1HB GLU 61 1.171 -10.731 10.354 385 HB3 GLU 61 2HB GLU 61 1.855 -9.920 8.942 386 HG2 GLU 61 1HG GLU 61 0.059 -8.187 9.106 387 HG3 GLU 61 2HG GLU 61 -0.584 -9.015 10.537
Contact the webmaster for help, if required. Saturday, June 1, 2024 5:18:21 AM GMT (wattos1)