NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
566913 | 2mal | 19365 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H ALA 1 1.807 -0.001 0.855 2 HA ALA 1 HA ALA 1 2.821 -0.797 -1.184 3 HB1 ALA 1 HB1 ALA 1 0.207 0.156 -2.239 4 HB2 ALA 1 HB2 ALA 1 1.603 0.149 -3.318 5 HB3 ALA 1 HB3 ALA 1 1.073 -1.349 -2.552 6 H ILE 2 H ILE 2 4.593 0.405 -1.289 7 HA ILE 2 HA ILE 2 4.538 3.252 -0.993 8 HB ILE 2 HB ILE 2 6.821 1.404 -1.699 9 HG12 ILE 2 HG12 ILE 2 7.404 2.179 0.763 10 HG13 ILE 2 HG13 ILE 2 5.665 2.430 0.859 11 HG21 ILE 2 HG21 ILE 2 6.665 4.349 -1.306 12 HG22 ILE 2 HG22 ILE 2 8.093 3.493 -0.728 13 HG23 ILE 2 HG23 ILE 2 7.646 3.410 -2.431 14 HD11 ILE 2 HD11 ILE 2 5.207 0.165 0.548 15 HD12 ILE 2 HD12 ILE 2 6.826 -0.169 -0.068 16 HD13 ILE 2 HD13 ILE 2 6.590 0.193 1.641 17 H SER 3 H SER 3 4.157 4.667 -2.551 18 HA SER 3 HA SER 3 4.435 3.847 -5.342 19 HB2 SER 3 HB2 SER 3 2.343 4.832 -5.069 20 HB3 SER 3 HB3 SER 3 2.948 6.040 -3.935 21 HG SER 3 HG SER 3 3.140 7.309 -5.584 22 H CYS 4 H CYS 4 4.913 7.013 -3.801 23 HA CYS 4 HA CYS 4 7.686 7.176 -4.228 24 HB2 CYS 4 HB2 CYS 4 6.334 7.356 -6.619 25 HB3 CYS 4 HB3 CYS 4 6.536 9.047 -6.171 26 H GLY 5 H GLY 5 4.636 8.969 -4.163 27 HA2 GLY 5 HA2 GLY 5 5.573 11.453 -3.338 28 HA3 GLY 5 HA3 GLY 5 3.989 10.802 -2.943 29 H ALA 6 H ALA 6 4.893 8.573 -1.413 30 HA ALA 6 HA ALA 6 5.236 9.856 1.107 31 HB1 ALA 6 HB1 ALA 6 5.642 7.304 1.746 32 HB2 ALA 6 HB2 ALA 6 4.036 7.951 1.409 33 HB3 ALA 6 HB3 ALA 6 4.911 7.068 0.158 34 H VAL 7 H VAL 7 7.385 8.358 -1.188 35 HA VAL 7 HA VAL 7 9.592 8.053 0.610 36 HB VAL 7 HB VAL 7 9.651 8.172 -2.408 37 HG11 VAL 7 HG11 VAL 7 11.714 8.030 -0.486 38 HG12 VAL 7 HG12 VAL 7 11.596 6.440 -1.242 39 HG13 VAL 7 HG13 VAL 7 11.844 7.875 -2.238 40 HG21 VAL 7 HG21 VAL 7 9.450 5.777 -2.405 41 HG22 VAL 7 HG22 VAL 7 9.439 5.736 -0.642 42 HG23 VAL 7 HG23 VAL 7 8.087 6.457 -1.516 43 H THR 8 H THR 8 8.622 10.471 -1.782 44 HA THR 8 HA THR 8 10.965 12.053 -1.584 45 HB THR 8 HB THR 8 8.299 13.223 -2.313 46 HG1 THR 8 HG1 THR 8 8.285 12.147 -4.201 47 HG21 THR 8 HG21 THR 8 10.819 14.249 -2.335 48 HG22 THR 8 HG22 THR 8 9.507 14.803 -3.377 49 HG23 THR 8 HG23 THR 8 10.683 13.637 -3.983 50 H SER 9 H SER 9 8.203 11.702 0.423 51 HA SER 9 HA SER 9 8.129 14.250 1.623 52 HB2 SER 9 HB2 SER 9 6.499 12.162 1.780 53 HB3 SER 9 HB3 SER 9 7.450 11.822 3.226 54 HG SER 9 HG SER 9 5.445 13.409 3.121 55 H ASP 10 H ASP 10 9.679 11.230 2.704 56 HA ASP 10 HA ASP 10 10.998 12.506 4.902 57 HB2 ASP 10 HB2 ASP 10 11.858 9.868 3.758 58 HB3 ASP 10 HB3 ASP 10 11.847 10.398 5.438 59 H LEU 11 H LEU 11 11.677 12.096 1.566 60 HA LEU 11 HA LEU 11 14.514 12.230 1.689 61 HB2 LEU 11 HB2 LEU 11 12.489 12.692 -0.471 62 HB3 LEU 11 HB3 LEU 11 14.199 13.019 -0.745 63 HG LEU 11 HG LEU 11 13.199 10.328 0.156 64 HD11 LEU 11 HD11 LEU 11 12.115 10.333 -1.836 65 HD12 LEU 11 HD12 LEU 11 13.723 9.898 -2.416 66 HD13 LEU 11 HD13 LEU 11 13.165 11.567 -2.534 67 HD21 LEU 11 HD21 LEU 11 15.396 10.013 0.363 68 HD22 LEU 11 HD22 LEU 11 15.775 11.520 -0.471 69 HD23 LEU 11 HD23 LEU 11 15.459 10.053 -1.399 70 H SER 12 H SER 12 11.951 14.622 1.512 71 HA SER 12 HA SER 12 13.390 16.879 0.801 72 HB2 SER 12 HB2 SER 12 11.152 17.361 0.917 73 HB3 SER 12 HB3 SER 12 10.907 16.383 2.363 74 HG SER 12 HG SER 12 11.364 19.030 2.157 75 HA PRO 13 HA PRO 13 14.355 17.666 5.472 76 HB2 PRO 13 HB2 PRO 13 13.869 15.629 7.200 77 HB3 PRO 13 HB3 PRO 13 12.663 16.858 6.800 78 HG2 PRO 13 HG2 PRO 13 12.967 14.081 5.723 79 HG3 PRO 13 HG3 PRO 13 11.493 14.936 6.215 80 HD2 PRO 13 HD2 PRO 13 12.236 14.685 3.623 81 HD3 PRO 13 HD3 PRO 13 11.357 16.103 4.232 82 H CYS 14 H CYS 14 14.871 14.532 4.030 83 HA CYS 14 HA CYS 14 17.321 14.033 5.483 84 HB2 CYS 14 HB2 CYS 14 15.828 12.590 3.308 85 HB3 CYS 14 HB3 CYS 14 17.469 12.120 3.739 86 H LEU 15 H LEU 15 16.399 15.765 2.718 87 HA LEU 15 HA LEU 15 18.687 15.445 1.097 88 HB2 LEU 15 HB2 LEU 15 16.452 17.379 1.287 89 HB3 LEU 15 HB3 LEU 15 17.897 17.908 0.427 90 HG LEU 15 HG LEU 15 16.191 15.511 -0.249 91 HD11 LEU 15 HD11 LEU 15 15.214 16.738 -1.888 92 HD12 LEU 15 HD12 LEU 15 16.622 17.777 -2.107 93 HD13 LEU 15 HD13 LEU 15 15.535 18.041 -0.744 94 HD21 LEU 15 HD21 LEU 15 18.914 16.210 -0.948 95 HD22 LEU 15 HD22 LEU 15 17.881 16.080 -2.371 96 HD23 LEU 15 HD23 LEU 15 18.016 14.723 -1.252 97 H THR 16 H THR 16 17.840 17.898 3.526 98 HA THR 16 HA THR 16 20.020 19.563 3.327 99 HB THR 16 HB THR 16 18.694 18.722 5.912 100 HG1 THR 16 HG1 THR 16 17.978 20.546 3.876 101 HG21 THR 16 HG21 THR 16 19.429 21.438 5.934 102 HG22 THR 16 HG22 THR 16 20.828 20.552 5.328 103 HG23 THR 16 HG23 THR 16 20.122 20.126 6.887 104 H TYR 17 H TYR 17 19.789 16.452 4.966 105 HA TYR 17 HA TYR 17 22.484 16.648 6.006 106 HB2 TYR 17 HB2 TYR 17 20.730 15.523 7.316 107 HB3 TYR 17 HB3 TYR 17 20.539 14.330 6.036 108 HD1 TYR 17 HD2 TYR 17 23.307 15.773 8.102 109 HD2 TYR 17 HD1 TYR 17 21.560 12.297 6.379 110 HE1 TYR 17 HE2 TYR 17 25.054 14.388 9.141 111 HE2 TYR 17 HE1 TYR 17 23.302 10.902 7.414 112 HH TYR 17 HH TYR 17 26.002 11.701 8.320 113 H LEU 18 H LEU 18 20.767 14.939 3.445 114 HA LEU 18 HA LEU 18 22.928 13.285 2.657 115 HB2 LEU 18 HB2 LEU 18 20.320 14.096 1.495 116 HB3 LEU 18 HB3 LEU 18 21.522 13.405 0.407 117 HG LEU 18 HG LEU 18 20.389 12.064 2.862 118 HD11 LEU 18 HD11 LEU 18 19.989 11.148 0.048 119 HD12 LEU 18 HD12 LEU 18 18.950 12.401 0.725 120 HD13 LEU 18 HD13 LEU 18 19.026 10.813 1.487 121 HD21 LEU 18 HD21 LEU 18 22.092 10.651 2.740 122 HD22 LEU 18 HD22 LEU 18 22.793 11.600 1.429 123 HD23 LEU 18 HD23 LEU 18 21.678 10.282 1.066 124 H THR 19 H THR 19 22.427 16.599 2.360 125 HA THR 19 HA THR 19 24.025 16.862 -0.071 126 HB THR 19 HB THR 19 23.645 19.381 0.444 127 HG1 THR 19 HG1 THR 19 22.357 19.820 2.066 128 HG21 THR 19 HG21 THR 19 22.345 17.583 -1.126 129 HG22 THR 19 HG22 THR 19 21.988 19.310 -1.086 130 HG23 THR 19 HG23 THR 19 21.020 18.187 -0.132 131 H GLY 20 H GLY 20 24.473 16.726 3.271 132 HA2 GLY 20 HA2 GLY 20 26.805 16.598 4.010 133 HA3 GLY 20 HA3 GLY 20 27.130 17.985 2.981 134 H GLY 21 H GLY 21 24.197 18.590 4.289 135 HA2 GLY 21 HA2 GLY 21 25.251 20.563 6.082 136 HA3 GLY 21 HA3 GLY 21 23.552 20.222 5.789 137 HA PRO 22 HA PRO 22 24.649 18.837 10.091 138 HB2 PRO 22 HB2 PRO 22 22.557 20.083 11.290 139 HB3 PRO 22 HB3 PRO 22 24.106 20.880 10.993 140 HG2 PRO 22 HG2 PRO 22 21.561 21.042 9.425 141 HG3 PRO 22 HG3 PRO 22 22.680 22.341 9.880 142 HD2 PRO 22 HD2 PRO 22 22.669 21.226 7.413 143 HD3 PRO 22 HD3 PRO 22 24.148 21.845 8.175 144 H GLY 23 H GLY 23 23.832 17.018 10.983 145 HA2 GLY 23 HA2 GLY 23 21.256 16.202 11.305 146 HA3 GLY 23 HA3 GLY 23 21.632 15.712 9.659 147 HA PRO 24 HA PRO 24 20.685 13.919 9.455 148 HB2 PRO 24 HB2 PRO 24 19.374 11.778 10.488 149 HB3 PRO 24 HB3 PRO 24 20.707 11.625 9.338 150 HG2 PRO 24 HG2 PRO 24 20.734 11.343 12.318 151 HG3 PRO 24 HG3 PRO 24 21.535 10.343 11.092 152 HD2 PRO 24 HD2 PRO 24 22.847 12.243 12.507 153 HD3 PRO 24 HD3 PRO 24 23.275 11.832 10.834 154 H SER 25 H SER 25 18.870 15.072 9.718 155 HA SER 25 HA SER 25 18.190 16.214 12.201 156 HB2 SER 25 HB2 SER 25 15.961 16.685 10.782 157 HB3 SER 25 HB3 SER 25 17.460 17.576 10.514 158 HG SER 25 HG SER 25 16.159 16.232 8.736 159 HA PRO 26 HA PRO 26 15.362 13.439 14.080 160 HB2 PRO 26 HB2 PRO 26 13.355 15.062 14.922 161 HB3 PRO 26 HB3 PRO 26 14.956 15.047 15.671 162 HG2 PRO 26 HG2 PRO 26 13.828 16.947 13.651 163 HG3 PRO 26 HG3 PRO 26 14.801 17.294 15.093 164 HD2 PRO 26 HD2 PRO 26 15.860 17.229 12.601 165 HD3 PRO 26 HD3 PRO 26 16.779 16.749 14.043 166 H GLN 27 H GLN 27 13.707 15.760 11.949 167 HA GLN 27 HA GLN 27 11.394 14.190 11.549 168 HB2 GLN 27 HB2 GLN 27 12.608 16.569 10.236 169 HB3 GLN 27 HB3 GLN 27 11.379 15.685 9.341 170 HG2 GLN 27 HG2 GLN 27 9.710 16.245 10.798 171 HG3 GLN 27 HG3 GLN 27 10.814 16.449 12.157 172 HE21 GLN 27 HE21 GLN 27 12.298 18.323 12.011 173 HE22 GLN 27 HE22 GLN 27 11.686 19.785 11.323 174 H CYS 28 H CYS 28 14.492 14.350 9.906 175 HA CYS 28 HA CYS 28 13.791 12.838 7.629 176 HB2 CYS 28 HB2 CYS 28 15.795 14.077 7.487 177 HB3 CYS 28 HB3 CYS 28 16.411 13.412 8.996 178 H CYS 29 H CYS 29 15.374 11.884 10.672 179 HA CYS 29 HA CYS 29 15.719 9.191 10.162 180 HB2 CYS 29 HB2 CYS 29 15.137 10.659 12.731 181 HB3 CYS 29 HB3 CYS 29 15.468 8.930 12.692 182 H GLY 30 H GLY 30 12.901 10.769 11.669 183 HA2 GLY 30 HA2 GLY 30 11.340 8.525 12.118 184 HA3 GLY 30 HA3 GLY 30 10.700 10.125 11.777 185 H GLY 31 H GLY 31 11.495 10.518 9.174 186 HA2 GLY 31 HA2 GLY 31 9.531 9.039 7.762 187 HA3 GLY 31 HA3 GLY 31 10.709 10.131 7.050 188 H VAL 32 H VAL 32 13.059 8.810 7.891 189 HA VAL 32 HA VAL 32 13.469 7.015 5.811 190 HB VAL 32 HB VAL 32 14.975 7.179 8.426 191 HG11 VAL 32 HG11 VAL 32 15.537 5.763 5.845 192 HG12 VAL 32 HG12 VAL 32 16.851 6.286 6.902 193 HG13 VAL 32 HG13 VAL 32 15.638 5.150 7.495 194 HG21 VAL 32 HG21 VAL 32 14.783 8.974 6.210 195 HG22 VAL 32 HG22 VAL 32 15.727 9.136 7.691 196 HG23 VAL 32 HG23 VAL 32 16.419 8.318 6.290 197 H LYS 33 H LYS 33 13.141 6.229 9.278 198 HA LYS 33 HA LYS 33 13.088 3.456 8.990 199 HB2 LYS 33 HB2 LYS 33 12.026 5.329 11.082 200 HB3 LYS 33 HB3 LYS 33 11.725 3.600 11.202 201 HG2 LYS 33 HG2 LYS 33 14.056 3.126 11.329 202 HG3 LYS 33 HG3 LYS 33 14.472 4.798 10.944 203 HD2 LYS 33 HD2 LYS 33 14.210 5.462 13.068 204 HD3 LYS 33 HD3 LYS 33 12.711 4.551 13.258 205 HE2 LYS 33 HE2 LYS 33 14.247 2.481 13.358 206 HE3 LYS 33 HE3 LYS 33 15.539 3.641 13.663 207 HZ1 LYS 33 HZ1 LYS 33 14.665 2.843 15.735 208 HZ2 LYS 33 HZ2 LYS 33 13.087 3.263 15.294 209 HZ3 LYS 33 HZ3 LYS 33 14.240 4.471 15.561 210 H LYS 34 H LYS 34 10.665 5.818 8.334 211 HA LYS 34 HA LYS 34 8.406 4.077 8.489 212 HB2 LYS 34 HB2 LYS 34 8.574 6.713 8.490 213 HB3 LYS 34 HB3 LYS 34 8.412 6.508 6.751 214 HG2 LYS 34 HG2 LYS 34 6.239 5.987 6.890 215 HG3 LYS 34 HG3 LYS 34 6.465 4.998 8.334 216 HD2 LYS 34 HD2 LYS 34 6.008 6.710 9.734 217 HD3 LYS 34 HD3 LYS 34 6.829 7.896 8.716 218 HE2 LYS 34 HE2 LYS 34 4.921 8.508 7.730 219 HE3 LYS 34 HE3 LYS 34 4.428 6.836 7.470 220 HZ1 LYS 34 HZ1 LYS 34 3.772 6.808 9.868 221 HZ2 LYS 34 HZ2 LYS 34 2.836 7.820 8.888 222 HZ3 LYS 34 HZ3 LYS 34 4.018 8.482 9.901 223 H LEU 35 H LEU 35 10.523 5.186 5.884 224 HA LEU 35 HA LEU 35 9.089 4.000 3.762 225 HB2 LEU 35 HB2 LEU 35 10.881 5.770 3.609 226 HB3 LEU 35 HB3 LEU 35 12.059 4.481 3.848 227 HG LEU 35 HG LEU 35 10.090 4.379 1.586 228 HD11 LEU 35 HD11 LEU 35 11.025 6.386 1.009 229 HD12 LEU 35 HD12 LEU 35 12.194 5.276 0.293 230 HD13 LEU 35 HD13 LEU 35 12.542 6.047 1.841 231 HD21 LEU 35 HD21 LEU 35 12.582 2.983 2.391 232 HD22 LEU 35 HD22 LEU 35 12.300 3.234 0.668 233 HD23 LEU 35 HD23 LEU 35 11.119 2.349 1.636 234 H LEU 36 H LEU 36 11.647 2.819 5.876 235 HA LEU 36 HA LEU 36 11.948 0.337 4.450 236 HB2 LEU 36 HB2 LEU 36 12.916 1.123 7.195 237 HB3 LEU 36 HB3 LEU 36 13.430 -0.294 6.281 238 HG LEU 36 HG LEU 36 13.894 2.536 5.356 239 HD11 LEU 36 HD11 LEU 36 16.299 1.945 6.068 240 HD12 LEU 36 HD12 LEU 36 15.532 0.754 7.117 241 HD13 LEU 36 HD13 LEU 36 15.154 2.466 7.304 242 HD21 LEU 36 HD21 LEU 36 13.930 0.846 3.602 243 HD22 LEU 36 HD22 LEU 36 15.091 -0.107 4.527 244 HD23 LEU 36 HD23 LEU 36 15.551 1.477 3.899 245 H ALA 37 H ALA 37 10.193 1.480 7.264 246 HA ALA 37 HA ALA 37 9.399 -1.120 8.159 247 HB1 ALA 37 HB1 ALA 37 8.412 1.643 8.834 248 HB2 ALA 37 HB2 ALA 37 7.794 0.173 9.588 249 HB3 ALA 37 HB3 ALA 37 9.489 0.618 9.782 250 H ALA 38 H ALA 38 8.113 1.264 5.957 251 HA ALA 38 HA ALA 38 5.500 0.083 5.788 252 HB1 ALA 38 HB1 ALA 38 5.485 1.604 3.647 253 HB2 ALA 38 HB2 ALA 38 5.392 2.310 5.260 254 HB3 ALA 38 HB3 ALA 38 6.928 2.293 4.393 255 H ALA 39 H ALA 39 8.509 -0.776 4.597 256 HA ALA 39 HA ALA 39 7.270 -2.400 2.471 257 HB1 ALA 39 HB1 ALA 39 9.962 -1.047 2.449 258 HB2 ALA 39 HB2 ALA 39 9.457 -2.261 1.273 259 HB3 ALA 39 HB3 ALA 39 8.590 -0.730 1.387 260 H ASN 40 H ASN 40 7.014 -4.069 4.067 261 HA ASN 40 HA ASN 40 9.344 -5.188 5.338 262 HB2 ASN 40 HB2 ASN 40 6.527 -6.279 5.144 263 HB3 ASN 40 HB3 ASN 40 7.794 -6.876 6.212 264 HD21 ASN 40 HD21 ASN 40 5.224 -5.905 6.973 265 HD22 ASN 40 HD22 ASN 40 5.476 -4.522 7.978 266 H THR 41 H THR 41 7.277 -5.969 2.594 267 HA THR 41 HA THR 41 8.698 -8.432 2.043 268 HB THR 41 HB THR 41 7.196 -8.724 0.185 269 HG1 THR 41 HG1 THR 41 6.058 -6.178 0.706 270 HG21 THR 41 HG21 THR 41 6.392 -8.868 2.682 271 HG22 THR 41 HG22 THR 41 5.236 -9.032 1.359 272 HG23 THR 41 HG23 THR 41 5.384 -7.498 2.217 273 H THR 42 H THR 42 8.999 -8.574 -0.602 274 HA THR 42 HA THR 42 11.272 -6.857 -1.071 275 HB THR 42 HB THR 42 10.270 -8.673 -3.207 276 HG1 THR 42 HG1 THR 42 10.115 -10.232 -1.766 277 HG21 THR 42 HG21 THR 42 12.616 -9.091 -3.540 278 HG22 THR 42 HG22 THR 42 13.021 -8.278 -2.028 279 HG23 THR 42 HG23 THR 42 12.379 -7.350 -3.384 280 HA PRO 43 HA PRO 43 8.240 -5.833 -4.906 281 HB2 PRO 43 HB2 PRO 43 5.805 -5.921 -3.185 282 HB3 PRO 43 HB3 PRO 43 5.988 -6.320 -4.898 283 HG2 PRO 43 HG2 PRO 43 5.784 -8.232 -3.032 284 HG3 PRO 43 HG3 PRO 43 6.823 -8.427 -4.455 285 HD2 PRO 43 HD2 PRO 43 7.550 -7.924 -1.637 286 HD3 PRO 43 HD3 PRO 43 8.452 -8.767 -2.913 287 H ASP 44 H ASP 44 7.190 -4.942 -1.613 288 HA ASP 44 HA ASP 44 6.650 -2.241 -2.223 289 HB2 ASP 44 HB2 ASP 44 6.975 -3.843 0.264 290 HB3 ASP 44 HB3 ASP 44 7.109 -2.092 0.408 291 H ARG 45 H ARG 45 9.498 -3.825 -0.818 292 HA ARG 45 HA ARG 45 11.000 -1.485 -0.389 293 HB2 ARG 45 HB2 ARG 45 11.685 -4.389 -0.677 294 HB3 ARG 45 HB3 ARG 45 12.970 -3.191 -0.608 295 HG2 ARG 45 HG2 ARG 45 11.906 -2.377 1.541 296 HG3 ARG 45 HG3 ARG 45 10.928 -3.844 1.490 297 HD2 ARG 45 HD2 ARG 45 13.508 -4.742 1.042 298 HD3 ARG 45 HD3 ARG 45 13.703 -3.482 2.259 299 HE ARG 45 HE ARG 45 11.663 -4.933 3.244 300 HH11 ARG 45 HH11 ARG 45 14.808 -5.810 2.036 301 HH12 ARG 45 HH12 ARG 45 14.960 -7.197 3.063 302 HH21 ARG 45 HH21 ARG 45 11.850 -6.757 4.601 303 HH22 ARG 45 HH22 ARG 45 13.276 -7.735 4.521 304 H GLN 46 H GLN 46 10.380 -3.368 -3.235 305 HA GLN 46 HA GLN 46 12.580 -2.460 -4.784 306 HB2 GLN 46 HB2 GLN 46 10.029 -3.890 -5.318 307 HB3 GLN 46 HB3 GLN 46 10.808 -3.100 -6.682 308 HG2 GLN 46 HG2 GLN 46 12.763 -4.563 -5.207 309 HG3 GLN 46 HG3 GLN 46 11.389 -5.610 -5.558 310 HE21 GLN 46 HE21 GLN 46 10.676 -5.705 -7.807 311 HE22 GLN 46 HE22 GLN 46 11.858 -5.567 -9.060 312 H ALA 47 H ALA 47 9.162 -1.471 -4.665 313 HA ALA 47 HA ALA 47 9.266 0.554 -6.566 314 HB1 ALA 47 HB1 ALA 47 7.500 -0.082 -4.275 315 HB2 ALA 47 HB2 ALA 47 7.394 1.544 -4.953 316 HB3 ALA 47 HB3 ALA 47 7.112 0.140 -5.982 317 H ALA 48 H ALA 48 9.597 0.866 -3.028 318 HA ALA 48 HA ALA 48 10.142 3.599 -2.960 319 HB1 ALA 48 HB1 ALA 48 9.642 1.990 -1.028 320 HB2 ALA 48 HB2 ALA 48 11.376 1.667 -1.026 321 HB3 ALA 48 HB3 ALA 48 10.783 3.302 -0.735 322 H CYS 49 H CYS 49 12.457 0.884 -2.904 323 HA CYS 49 HA CYS 49 14.820 2.267 -2.867 324 HB2 CYS 49 HB2 CYS 49 13.981 -0.349 -4.009 325 HB3 CYS 49 HB3 CYS 49 15.555 0.275 -4.491 326 H ASN 50 H ASN 50 12.721 1.660 -5.634 327 HA ASN 50 HA ASN 50 14.467 2.647 -7.621 328 HB2 ASN 50 HB2 ASN 50 11.441 2.547 -7.611 329 HB3 ASN 50 HB3 ASN 50 12.452 2.793 -9.033 330 HD21 ASN 50 HD21 ASN 50 10.525 0.688 -8.445 331 HD22 ASN 50 HD22 ASN 50 11.394 -0.801 -8.558 332 H CYS 51 H CYS 51 11.941 4.190 -5.681 333 HA CYS 51 HA CYS 51 12.165 6.730 -6.955 334 HB2 CYS 51 HB2 CYS 51 10.903 5.804 -4.380 335 HB3 CYS 51 HB3 CYS 51 10.917 7.501 -4.848 336 H LEU 52 H LEU 52 13.703 5.201 -4.207 337 HA LEU 52 HA LEU 52 14.899 7.592 -3.191 338 HB2 LEU 52 HB2 LEU 52 15.086 4.687 -2.631 339 HB3 LEU 52 HB3 LEU 52 16.441 5.696 -2.128 340 HG LEU 52 HG LEU 52 13.575 6.109 -1.278 341 HD11 LEU 52 HD11 LEU 52 15.893 4.866 0.195 342 HD12 LEU 52 HD12 LEU 52 14.437 4.040 -0.359 343 HD13 LEU 52 HD13 LEU 52 14.327 5.267 0.902 344 HD21 LEU 52 HD21 LEU 52 14.241 8.076 -0.505 345 HD22 LEU 52 HD22 LEU 52 15.834 7.814 -1.216 346 HD23 LEU 52 HD23 LEU 52 15.509 7.293 0.439 347 H LYS 53 H LYS 53 16.215 4.768 -4.925 348 HA LYS 53 HA LYS 53 18.817 5.611 -5.239 349 HB2 LYS 53 HB2 LYS 53 17.512 3.432 -6.023 350 HB3 LYS 53 HB3 LYS 53 17.502 4.283 -7.562 351 HG2 LYS 53 HG2 LYS 53 19.527 3.476 -7.940 352 HG3 LYS 53 HG3 LYS 53 20.123 4.492 -6.625 353 HD2 LYS 53 HD2 LYS 53 19.053 1.685 -6.321 354 HD3 LYS 53 HD3 LYS 53 20.761 2.132 -6.342 355 HE2 LYS 53 HE2 LYS 53 20.703 2.637 -4.179 356 HE3 LYS 53 HE3 LYS 53 19.355 3.744 -4.432 357 HZ1 LYS 53 HZ1 LYS 53 18.465 1.058 -4.543 358 HZ2 LYS 53 HZ2 LYS 53 17.977 2.300 -3.503 359 HZ3 LYS 53 HZ3 LYS 53 19.302 1.329 -3.098 360 H SER 54 H SER 54 16.006 6.403 -7.238 361 HA SER 54 HA SER 54 17.512 7.954 -9.115 362 HB2 SER 54 HB2 SER 54 14.527 8.031 -8.625 363 HB3 SER 54 HB3 SER 54 15.380 8.535 -10.084 364 HG SER 54 HG SER 54 14.370 6.215 -9.690 365 H ALA 55 H ALA 55 15.891 8.577 -6.104 366 HA ALA 55 HA ALA 55 15.626 11.382 -6.343 367 HB1 ALA 55 HB1 ALA 55 15.761 11.114 -3.704 368 HB2 ALA 55 HB2 ALA 55 14.338 10.631 -4.627 369 HB3 ALA 55 HB3 ALA 55 15.515 9.419 -4.124 370 H ALA 56 H ALA 56 18.110 9.376 -4.764 371 HA ALA 56 HA ALA 56 19.749 11.530 -3.963 372 HB1 ALA 56 HB1 ALA 56 21.527 9.552 -4.068 373 HB2 ALA 56 HB2 ALA 56 20.314 9.668 -2.792 374 HB3 ALA 56 HB3 ALA 56 20.053 8.590 -4.163 375 H GLY 57 H GLY 57 19.280 9.988 -7.002 376 HA2 GLY 57 HA2 GLY 57 21.755 10.376 -8.236 377 HA3 GLY 57 HA3 GLY 57 20.209 10.346 -9.070 378 H SER 58 H SER 58 19.400 12.691 -7.275 379 HA SER 58 HA SER 58 20.539 14.740 -9.029 380 HB2 SER 58 HB2 SER 58 17.992 14.371 -8.635 381 HB3 SER 58 HB3 SER 58 18.273 15.216 -7.113 382 HG SER 58 HG SER 58 17.700 16.702 -8.699 383 H ILE 59 H ILE 59 21.828 13.522 -6.582 384 HA ILE 59 HA ILE 59 22.044 15.874 -4.852 385 HB ILE 59 HB ILE 59 23.170 13.094 -4.491 386 HG12 ILE 59 HG12 ILE 59 20.695 13.245 -4.343 387 HG13 ILE 59 HG13 ILE 59 21.442 12.807 -2.810 388 HG21 ILE 59 HG21 ILE 59 23.568 13.879 -2.147 389 HG22 ILE 59 HG22 ILE 59 24.590 14.641 -3.365 390 HG23 ILE 59 HG23 ILE 59 23.210 15.515 -2.701 391 HD11 ILE 59 HD11 ILE 59 20.566 14.570 -1.796 392 HD12 ILE 59 HD12 ILE 59 21.132 15.666 -3.058 393 HD13 ILE 59 HD13 ILE 59 19.597 14.818 -3.248 394 H THR 60 H THR 60 23.565 17.310 -5.302 395 HA THR 60 HA THR 60 25.632 16.954 -7.155 396 HB THR 60 HB THR 60 24.945 19.182 -6.680 397 HG1 THR 60 HG1 THR 60 26.926 20.073 -6.521 398 HG21 THR 60 HG21 THR 60 24.258 19.743 -4.636 399 HG22 THR 60 HG22 THR 60 25.940 19.744 -4.103 400 HG23 THR 60 HG23 THR 60 24.970 18.278 -3.960 401 H LYS 61 H LYS 61 27.259 15.563 -6.957 402 HA LYS 61 HA LYS 61 29.027 14.405 -6.117 403 HB2 LYS 61 HB2 LYS 61 29.089 16.942 -4.529 404 HB3 LYS 61 HB3 LYS 61 30.186 15.635 -4.103 405 HG2 LYS 61 HG2 LYS 61 31.032 15.648 -6.430 406 HG3 LYS 61 HG3 LYS 61 30.007 17.048 -6.755 407 HD2 LYS 61 HD2 LYS 61 31.809 18.243 -6.145 408 HD3 LYS 61 HD3 LYS 61 31.317 17.838 -4.499 409 HE2 LYS 61 HE2 LYS 61 32.983 16.310 -4.232 410 HE3 LYS 61 HE3 LYS 61 32.999 15.867 -5.938 411 HZ1 LYS 61 HZ1 LYS 61 34.856 17.075 -6.018 412 HZ2 LYS 61 HZ2 LYS 61 34.550 17.847 -4.545 413 HZ3 LYS 61 HZ3 LYS 61 33.849 18.433 -5.969 414 H LEU 62 H LEU 62 26.883 13.160 -5.394 415 HA LEU 62 HA LEU 62 26.088 12.975 -2.763 416 HB2 LEU 62 HB2 LEU 62 24.927 11.786 -4.482 417 HB3 LEU 62 HB3 LEU 62 26.356 10.824 -4.852 418 HG LEU 62 HG LEU 62 26.017 10.082 -2.313 419 HD11 LEU 62 HD11 LEU 62 23.948 10.288 -1.459 420 HD12 LEU 62 HD12 LEU 62 23.165 10.112 -3.029 421 HD13 LEU 62 HD13 LEU 62 23.845 11.668 -2.552 422 HD21 LEU 62 HD21 LEU 62 25.293 9.042 -4.908 423 HD22 LEU 62 HD22 LEU 62 24.208 8.446 -3.652 424 HD23 LEU 62 HD23 LEU 62 25.950 8.204 -3.502 425 H ASN 63 H ASN 63 26.808 11.967 -0.942 426 HA ASN 63 HA ASN 63 29.540 10.879 -1.061 427 HB2 ASN 63 HB2 ASN 63 28.817 12.977 0.388 428 HB3 ASN 63 HB3 ASN 63 28.295 11.731 1.517 429 HD21 ASN 63 HD21 ASN 63 30.686 13.758 1.012 430 HD22 ASN 63 HD22 ASN 63 32.036 12.842 1.581 431 H THR 64 H THR 64 29.376 8.723 -1.239 432 HA THR 64 HA THR 64 27.315 7.089 -0.381 433 HB THR 64 HB THR 64 29.072 5.241 -0.354 434 HG1 THR 64 HG1 THR 64 31.121 5.832 -1.126 435 HG21 THR 64 HG21 THR 64 28.437 5.036 -2.478 436 HG22 THR 64 HG22 THR 64 29.589 6.285 -2.951 437 HG23 THR 64 HG23 THR 64 27.945 6.729 -2.494 438 H ASN 65 H ASN 65 30.121 8.255 1.389 439 HA ASN 65 HA ASN 65 29.849 6.565 3.639 440 HB2 ASN 65 HB2 ASN 65 31.189 9.235 3.229 441 HB3 ASN 65 HB3 ASN 65 31.208 8.408 4.784 442 HD21 ASN 65 HD21 ASN 65 33.336 7.943 4.894 443 HD22 ASN 65 HD22 ASN 65 34.159 6.899 3.790 444 H ASN 66 H ASN 66 28.641 9.818 2.924 445 HA ASN 66 HA ASN 66 27.434 10.235 5.455 446 HB2 ASN 66 HB2 ASN 66 26.770 11.507 2.790 447 HB3 ASN 66 HB3 ASN 66 26.276 12.109 4.369 448 HD21 ASN 66 HD21 ASN 66 27.572 13.814 2.813 449 HD22 ASN 66 HD22 ASN 66 29.195 14.058 3.353 450 H ALA 67 H ALA 67 26.247 8.969 2.378 451 HA ALA 67 HA ALA 67 23.528 8.826 2.985 452 HB1 ALA 67 HB1 ALA 67 25.331 7.464 1.069 453 HB2 ALA 67 HB2 ALA 67 23.752 6.732 1.359 454 HB3 ALA 67 HB3 ALA 67 23.860 8.394 0.780 455 H ALA 68 H ALA 68 26.154 6.570 3.680 456 HA ALA 68 HA ALA 68 24.431 4.561 4.782 457 HB1 ALA 68 HB1 ALA 68 26.784 3.800 5.723 458 HB2 ALA 68 HB2 ALA 68 26.343 3.575 4.029 459 HB3 ALA 68 HB3 ALA 68 27.363 4.934 4.501 460 H ALA 69 H ALA 69 26.097 7.356 5.994 461 HA ALA 69 HA ALA 69 26.024 6.624 8.753 462 HB1 ALA 69 HB1 ALA 69 26.196 9.432 7.697 463 HB2 ALA 69 HB2 ALA 69 26.840 8.785 9.207 464 HB3 ALA 69 HB3 ALA 69 27.567 8.323 7.668 465 H LEU 70 H LEU 70 23.819 8.184 6.552 466 HA LEU 70 HA LEU 70 22.142 9.538 8.290 467 HB2 LEU 70 HB2 LEU 70 21.597 9.925 6.111 468 HB3 LEU 70 HB3 LEU 70 21.815 8.239 5.644 469 HG LEU 70 HG LEU 70 19.653 7.679 6.628 470 HD11 LEU 70 HD11 LEU 70 19.775 9.511 8.365 471 HD12 LEU 70 HD12 LEU 70 18.206 9.271 7.596 472 HD13 LEU 70 HD13 LEU 70 19.234 10.617 7.103 473 HD21 LEU 70 HD21 LEU 70 18.265 9.287 5.105 474 HD22 LEU 70 HD22 LEU 70 19.381 8.124 4.389 475 HD23 LEU 70 HD23 LEU 70 19.856 9.815 4.555 476 HA PRO 71 HA PRO 71 19.546 5.499 8.850 477 HB2 PRO 71 HB2 PRO 71 20.651 3.181 7.971 478 HB3 PRO 71 HB3 PRO 71 19.631 4.206 6.953 479 HG2 PRO 71 HG2 PRO 71 22.617 4.015 7.060 480 HG3 PRO 71 HG3 PRO 71 21.552 4.119 5.646 481 HD2 PRO 71 HD2 PRO 71 22.898 6.258 6.618 482 HD3 PRO 71 HD3 PRO 71 21.308 6.403 5.842 483 H GLY 72 H GLY 72 23.063 5.037 8.973 484 HA2 GLY 72 HA2 GLY 72 23.113 3.260 11.156 485 HA3 GLY 72 HA3 GLY 72 24.444 4.288 10.646 486 H LYS 73 H LYS 73 23.437 6.799 11.058 487 HA LYS 73 HA LYS 73 23.659 7.021 13.906 488 HB2 LYS 73 HB2 LYS 73 23.412 8.953 11.632 489 HB3 LYS 73 HB3 LYS 73 23.150 9.521 13.276 490 HG2 LYS 73 HG2 LYS 73 25.371 9.941 13.089 491 HG3 LYS 73 HG3 LYS 73 25.449 8.283 13.688 492 HD2 LYS 73 HD2 LYS 73 25.770 7.439 11.457 493 HD3 LYS 73 HD3 LYS 73 25.511 9.043 10.769 494 HE2 LYS 73 HE2 LYS 73 27.897 8.412 10.875 495 HE3 LYS 73 HE3 LYS 73 27.528 9.861 11.809 496 HZ1 LYS 73 HZ1 LYS 73 27.360 7.386 13.293 497 HZ2 LYS 73 HZ2 LYS 73 28.065 8.861 13.724 498 HZ3 LYS 73 HZ3 LYS 73 28.915 7.772 12.747 499 H CYS 74 H CYS 74 21.062 6.856 11.654 500 HA CYS 74 HA CYS 74 19.119 8.074 13.416 501 HB2 CYS 74 HB2 CYS 74 19.057 6.855 10.688 502 HB3 CYS 74 HB3 CYS 74 17.549 7.002 11.583 503 H GLY 75 H GLY 75 20.697 5.248 13.566 504 HA2 GLY 75 HA2 GLY 75 20.324 3.323 14.766 505 HA3 GLY 75 HA3 GLY 75 18.857 4.074 15.376 506 H VAL 76 H VAL 76 19.393 3.674 11.958 507 HA VAL 76 HA VAL 76 17.729 1.276 11.875 508 HB VAL 76 HB VAL 76 16.044 2.961 11.730 509 HG11 VAL 76 HG11 VAL 76 16.488 4.488 9.490 510 HG12 VAL 76 HG12 VAL 76 16.729 5.011 11.158 511 HG13 VAL 76 HG13 VAL 76 18.089 4.391 10.222 512 HG21 VAL 76 HG21 VAL 76 16.528 2.269 8.854 513 HG22 VAL 76 HG22 VAL 76 16.118 1.024 10.034 514 HG23 VAL 76 HG23 VAL 76 15.002 2.356 9.735 515 H ASN 77 H ASN 77 19.655 0.280 11.124 516 HA ASN 77 HA ASN 77 20.781 1.198 8.604 517 HB2 ASN 77 HB2 ASN 77 22.125 0.270 10.602 518 HB3 ASN 77 HB3 ASN 77 21.576 -1.313 10.061 519 HD21 ASN 77 HD21 ASN 77 23.644 -1.992 9.562 520 HD22 ASN 77 HD22 ASN 77 24.511 -1.393 8.193 521 H ILE 78 H ILE 78 20.825 -0.033 6.703 522 HA ILE 78 HA ILE 78 18.709 -2.076 6.543 523 HB ILE 78 HB ILE 78 18.746 -1.508 4.053 524 HG12 ILE 78 HG12 ILE 78 20.955 -0.127 4.520 525 HG13 ILE 78 HG13 ILE 78 19.816 0.377 3.276 526 HG21 ILE 78 HG21 ILE 78 16.845 -0.863 5.237 527 HG22 ILE 78 HG22 ILE 78 17.728 0.325 6.193 528 HG23 ILE 78 HG23 ILE 78 17.397 0.635 4.489 529 HD11 ILE 78 HD11 ILE 78 20.778 2.090 4.995 530 HD12 ILE 78 HD12 ILE 78 19.093 2.180 4.481 531 HD13 ILE 78 HD13 ILE 78 19.504 1.449 6.032 532 HA PRO 79 HA PRO 79 21.587 -5.132 5.263 533 HB2 PRO 79 HB2 PRO 79 20.118 -6.548 3.472 534 HB3 PRO 79 HB3 PRO 79 19.827 -6.609 5.215 535 HG2 PRO 79 HG2 PRO 79 18.395 -5.036 3.109 536 HG3 PRO 79 HG3 PRO 79 17.725 -5.945 4.476 537 HD2 PRO 79 HD2 PRO 79 18.021 -3.254 4.522 538 HD3 PRO 79 HD3 PRO 79 18.168 -4.256 5.980 539 H TYR 80 H TYR 80 20.419 -2.798 3.096 540 HA TYR 80 HA TYR 80 22.479 -3.548 1.127 541 HB2 TYR 80 HB2 TYR 80 20.964 -2.360 -0.559 542 HB3 TYR 80 HB3 TYR 80 20.446 -3.947 0.000 543 HD1 TYR 80 HD1 TYR 80 19.955 -0.312 0.658 544 HD2 TYR 80 HD2 TYR 80 18.302 -4.227 0.866 545 HE1 TYR 80 HE1 TYR 80 17.794 0.644 1.342 546 HE2 TYR 80 HE2 TYR 80 16.136 -3.282 1.548 547 HH TYR 80 HH TYR 80 14.920 -1.345 1.645 548 H LYS 81 H LYS 81 23.165 -1.640 -0.232 549 HA LYS 81 HA LYS 81 23.589 0.653 1.543 550 HB2 LYS 81 HB2 LYS 81 25.497 1.190 0.176 551 HB3 LYS 81 HB3 LYS 81 25.568 -0.519 0.587 552 HG2 LYS 81 HG2 LYS 81 24.257 -0.658 -1.756 553 HG3 LYS 81 HG3 LYS 81 25.226 0.792 -2.026 554 HD2 LYS 81 HD2 LYS 81 26.589 -1.566 -0.848 555 HD3 LYS 81 HD3 LYS 81 26.138 -1.655 -2.552 556 HE2 LYS 81 HE2 LYS 81 27.235 0.798 -2.493 557 HE3 LYS 81 HE3 LYS 81 28.154 0.029 -1.199 558 HZ1 LYS 81 HZ1 LYS 81 28.855 -0.113 -3.743 559 HZ2 LYS 81 HZ2 LYS 81 27.869 -1.486 -3.668 560 HZ3 LYS 81 HZ3 LYS 81 29.199 -1.343 -2.633 561 H ILE 82 H ILE 82 23.952 2.775 0.194 562 HA ILE 82 HA ILE 82 21.690 3.043 -1.678 563 HB ILE 82 HB ILE 82 22.651 5.091 0.324 564 HG12 ILE 82 HG12 ILE 82 20.125 4.708 1.026 565 HG13 ILE 82 HG13 ILE 82 20.392 3.136 0.280 566 HG21 ILE 82 HG21 ILE 82 20.947 5.262 -2.052 567 HG22 ILE 82 HG22 ILE 82 20.243 5.965 -0.596 568 HG23 ILE 82 HG23 ILE 82 21.809 6.528 -1.178 569 HD11 ILE 82 HD11 ILE 82 21.108 2.526 2.298 570 HD12 ILE 82 HD12 ILE 82 22.588 3.389 1.876 571 HD13 ILE 82 HD13 ILE 82 21.338 4.193 2.825 572 H SER 83 H SER 83 22.215 3.734 -3.639 573 HA SER 83 HA SER 83 23.976 5.822 -4.226 574 HB2 SER 83 HB2 SER 83 25.878 4.584 -3.699 575 HB3 SER 83 HB3 SER 83 25.176 3.071 -4.274 576 HG SER 83 HG SER 83 26.811 4.036 -5.665 577 H THR 84 H THR 84 24.308 6.112 -6.547 578 HA THR 84 HA THR 84 21.986 5.422 -8.024 579 HB THR 84 HB THR 84 23.329 6.411 -9.981 580 HG1 THR 84 HG1 THR 84 25.409 6.124 -9.071 581 HG21 THR 84 HG21 THR 84 23.380 8.694 -8.414 582 HG22 THR 84 HG22 THR 84 22.178 7.671 -7.628 583 HG23 THR 84 HG23 THR 84 22.001 8.090 -9.331 584 H THR 85 H THR 85 24.834 3.731 -7.413 585 HA THR 85 HA THR 85 24.505 2.086 -9.834 586 HB THR 85 HB THR 85 26.774 1.320 -9.549 587 HG1 THR 85 HG1 THR 85 27.981 2.500 -7.760 588 HG21 THR 85 HG21 THR 85 26.857 4.296 -9.098 589 HG22 THR 85 HG22 THR 85 26.305 3.581 -10.612 590 HG23 THR 85 HG23 THR 85 27.956 3.305 -10.057 591 H THR 86 H THR 86 23.016 1.998 -7.209 592 HA THR 86 HA THR 86 23.746 -0.709 -6.327 593 HB THR 86 HB THR 86 22.039 1.399 -4.993 594 HG1 THR 86 HG1 THR 86 24.532 1.288 -4.982 595 HG21 THR 86 HG21 THR 86 22.286 -0.401 -3.071 596 HG22 THR 86 HG22 THR 86 22.389 -1.507 -4.440 597 HG23 THR 86 HG23 THR 86 20.968 -0.483 -4.239 598 H ASN 87 H ASN 87 22.282 -2.381 -6.359 599 HA ASN 87 HA ASN 87 19.736 -1.848 -7.744 600 HB2 ASN 87 HB2 ASN 87 21.333 -3.062 -9.179 601 HB3 ASN 87 HB3 ASN 87 21.464 -4.324 -7.957 602 HD21 ASN 87 HD21 ASN 87 20.815 -5.340 -10.191 603 HD22 ASN 87 HD22 ASN 87 19.126 -5.664 -10.354 604 H CYS 88 H CYS 88 18.197 -1.953 -6.233 605 HA CYS 88 HA CYS 88 18.395 -3.596 -3.905 606 HB2 CYS 88 HB2 CYS 88 16.384 -1.720 -5.045 607 HB3 CYS 88 HB3 CYS 88 15.815 -2.902 -3.870 608 H ASN 89 H ASN 89 17.191 -4.047 -7.096 609 HA ASN 89 HA ASN 89 15.293 -6.081 -6.585 610 HB2 ASN 89 HB2 ASN 89 15.543 -4.751 -8.725 611 HB3 ASN 89 HB3 ASN 89 16.931 -5.767 -9.104 612 HD21 ASN 89 HD21 ASN 89 13.712 -5.373 -9.585 613 HD22 ASN 89 HD22 ASN 89 13.283 -6.988 -10.024 614 H THR 90 H THR 90 18.726 -6.051 -6.618 615 HA THR 90 HA THR 90 18.909 -8.953 -6.903 616 HB THR 90 HB THR 90 21.454 -8.275 -6.464 617 HG1 THR 90 HG1 THR 90 21.870 -6.209 -7.251 618 HG21 THR 90 HG21 THR 90 20.507 -9.358 -8.486 619 HG22 THR 90 HG22 THR 90 21.766 -8.181 -8.861 620 HG23 THR 90 HG23 THR 90 20.069 -7.764 -9.098 621 H VAL 91 H VAL 91 17.810 -7.375 -4.515 622 HA VAL 91 HA VAL 91 19.654 -8.136 -2.399 623 HB VAL 91 HB VAL 91 16.933 -6.830 -2.244 624 HG11 VAL 91 HG11 VAL 91 17.297 -7.950 -0.189 625 HG12 VAL 91 HG12 VAL 91 18.987 -7.447 -0.132 626 HG13 VAL 91 HG13 VAL 91 17.704 -6.257 0.089 627 HG21 VAL 91 HG21 VAL 91 19.572 -5.516 -1.694 628 HG22 VAL 91 HG22 VAL 91 18.907 -5.585 -3.326 629 HG23 VAL 91 HG23 VAL 91 18.012 -4.770 -2.043 630 H LYS 92 H LYS 92 19.616 -10.077 -1.501 631 HA LYS 92 HA LYS 92 17.382 -11.865 -1.950 632 HB2 LYS 92 HB2 LYS 92 20.113 -12.179 -0.732 633 HB3 LYS 92 HB3 LYS 92 18.899 -13.442 -0.573 634 HG2 LYS 92 HG2 LYS 92 19.195 -14.144 -2.667 635 HG3 LYS 92 HG3 LYS 92 19.224 -12.500 -3.311 636 HD2 LYS 92 HD2 LYS 92 21.450 -12.508 -3.425 637 HD3 LYS 92 HD3 LYS 92 21.593 -13.056 -1.753 638 HE2 LYS 92 HE2 LYS 92 21.099 -15.373 -2.569 639 HE3 LYS 92 HE3 LYS 92 21.211 -14.751 -4.215 640 HZ1 LYS 92 HZ1 LYS 92 23.278 -15.802 -3.176 641 HZ2 LYS 92 HZ2 LYS 92 23.419 -14.366 -2.295 642 HZ3 LYS 92 HZ3 LYS 92 23.466 -14.329 -3.985 643 H PHE 93 H PHE 93 15.681 -11.852 -0.648 644 HA PHE 93 HA PHE 93 14.360 -11.612 1.192 645 HB2 PHE 93 HB2 PHE 93 16.811 -12.984 2.172 646 HB3 PHE 93 HB3 PHE 93 15.689 -12.374 3.384 647 HD1 PHE 93 HD2 PHE 93 13.439 -13.283 3.568 648 HD2 PHE 93 HD1 PHE 93 16.229 -14.824 0.746 649 HE1 PHE 93 HE2 PHE 93 12.032 -15.280 3.272 650 HE2 PHE 93 HE1 PHE 93 14.826 -16.823 0.445 651 HZ PHE 93 HZ PHE 93 12.725 -17.053 1.710 Start of MODEL 2 1 H1 ALA 1 H ALA 1 1.411 -0.815 0.912 2 HA ALA 1 HA ALA 1 3.054 -1.058 -0.650 3 HB1 ALA 1 HB1 ALA 1 1.080 -0.088 -2.705 4 HB2 ALA 1 HB2 ALA 1 2.514 -1.083 -2.962 5 HB3 ALA 1 HB3 ALA 1 1.123 -1.746 -2.104 6 H ILE 2 H ILE 2 4.749 0.233 -1.017 7 HA ILE 2 HA ILE 2 4.480 3.061 -0.672 8 HB ILE 2 HB ILE 2 6.890 1.404 -1.420 9 HG12 ILE 2 HG12 ILE 2 7.434 2.180 1.048 10 HG13 ILE 2 HG13 ILE 2 5.682 2.308 1.161 11 HG21 ILE 2 HG21 ILE 2 7.572 3.467 -2.122 12 HG22 ILE 2 HG22 ILE 2 6.511 4.321 -1.002 13 HG23 ILE 2 HG23 ILE 2 7.998 3.578 -0.414 14 HD11 ILE 2 HD11 ILE 2 6.764 0.130 1.904 15 HD12 ILE 2 HD12 ILE 2 5.382 0.020 0.813 16 HD13 ILE 2 HD13 ILE 2 7.018 -0.190 0.189 17 H SER 3 H SER 3 4.175 4.557 -2.179 18 HA SER 3 HA SER 3 4.320 3.776 -4.991 19 HB2 SER 3 HB2 SER 3 2.278 4.821 -4.659 20 HB3 SER 3 HB3 SER 3 2.932 5.956 -3.479 21 HG SER 3 HG SER 3 3.670 7.216 -5.068 22 H CYS 4 H CYS 4 4.958 6.897 -3.412 23 HA CYS 4 HA CYS 4 7.713 6.985 -3.959 24 HB2 CYS 4 HB2 CYS 4 6.267 7.258 -6.282 25 HB3 CYS 4 HB3 CYS 4 6.529 8.933 -5.806 26 H GLY 5 H GLY 5 4.711 8.805 -3.628 27 HA2 GLY 5 HA2 GLY 5 5.752 11.266 -2.826 28 HA3 GLY 5 HA3 GLY 5 4.181 10.636 -2.352 29 H ALA 6 H ALA 6 5.245 8.319 -0.978 30 HA ALA 6 HA ALA 6 5.662 9.498 1.578 31 HB1 ALA 6 HB1 ALA 6 5.433 6.745 0.510 32 HB2 ALA 6 HB2 ALA 6 6.232 6.945 2.069 33 HB3 ALA 6 HB3 ALA 6 4.580 7.520 1.845 34 H VAL 7 H VAL 7 7.763 8.023 -0.822 35 HA VAL 7 HA VAL 7 10.068 7.923 0.872 36 HB VAL 7 HB VAL 7 10.030 7.883 -2.145 37 HG11 VAL 7 HG11 VAL 7 12.127 7.859 -0.291 38 HG12 VAL 7 HG12 VAL 7 11.976 6.198 -0.867 39 HG13 VAL 7 HG13 VAL 7 12.217 7.514 -2.018 40 HG21 VAL 7 HG21 VAL 7 9.869 5.463 -2.004 41 HG22 VAL 7 HG22 VAL 7 9.771 5.552 -0.245 42 HG23 VAL 7 HG23 VAL 7 8.470 6.213 -1.235 43 H THR 8 H THR 8 8.902 10.123 -1.645 44 HA THR 8 HA THR 8 11.175 11.818 -1.630 45 HB THR 8 HB THR 8 8.353 12.528 -2.453 46 HG1 THR 8 HG1 THR 8 10.416 11.704 -4.205 47 HG21 THR 8 HG21 THR 8 10.081 13.876 -4.093 48 HG22 THR 8 HG22 THR 8 10.925 13.926 -2.545 49 HG23 THR 8 HG23 THR 8 9.285 14.561 -2.677 50 H SER 9 H SER 9 8.402 11.551 0.411 51 HA SER 9 HA SER 9 8.320 14.172 1.442 52 HB2 SER 9 HB2 SER 9 6.422 13.034 2.045 53 HB3 SER 9 HB3 SER 9 7.283 11.514 2.289 54 HG SER 9 HG SER 9 6.719 13.520 4.071 55 H ASP 10 H ASP 10 9.858 11.228 2.727 56 HA ASP 10 HA ASP 10 11.159 12.640 4.851 57 HB2 ASP 10 HB2 ASP 10 12.031 9.936 3.882 58 HB3 ASP 10 HB3 ASP 10 12.004 10.570 5.525 59 H LEU 11 H LEU 11 11.859 12.044 1.553 60 HA LEU 11 HA LEU 11 14.696 12.172 1.684 61 HB2 LEU 11 HB2 LEU 11 12.667 12.473 -0.491 62 HB3 LEU 11 HB3 LEU 11 14.355 12.875 -0.798 63 HG LEU 11 HG LEU 11 13.550 10.184 0.267 64 HD11 LEU 11 HD11 LEU 11 13.423 11.214 -2.535 65 HD12 LEU 11 HD12 LEU 11 12.300 10.163 -1.673 66 HD13 LEU 11 HD13 LEU 11 13.850 9.530 -2.227 67 HD21 LEU 11 HD21 LEU 11 15.799 10.176 0.419 68 HD22 LEU 11 HD22 LEU 11 15.994 11.476 -0.757 69 HD23 LEU 11 HD23 LEU 11 15.707 9.824 -1.307 70 H SER 12 H SER 12 12.145 14.564 1.347 71 HA SER 12 HA SER 12 13.607 16.772 0.536 72 HB2 SER 12 HB2 SER 12 11.099 16.375 2.086 73 HB3 SER 12 HB3 SER 12 11.834 17.977 2.141 74 HG SER 12 HG SER 12 10.256 17.298 0.341 75 HA PRO 13 HA PRO 13 14.506 17.805 5.172 76 HB2 PRO 13 HB2 PRO 13 13.986 15.865 6.999 77 HB3 PRO 13 HB3 PRO 13 12.792 17.076 6.516 78 HG2 PRO 13 HG2 PRO 13 13.099 14.244 5.594 79 HG3 PRO 13 HG3 PRO 13 11.621 15.129 6.017 80 HD2 PRO 13 HD2 PRO 13 12.401 14.737 3.453 81 HD3 PRO 13 HD3 PRO 13 11.520 16.188 3.972 82 H CYS 14 H CYS 14 15.033 14.603 3.899 83 HA CYS 14 HA CYS 14 17.454 14.165 5.418 84 HB2 CYS 14 HB2 CYS 14 15.981 12.629 3.297 85 HB3 CYS 14 HB3 CYS 14 17.624 12.180 3.745 86 H LEU 15 H LEU 15 16.586 15.745 2.537 87 HA LEU 15 HA LEU 15 18.905 15.352 0.986 88 HB2 LEU 15 HB2 LEU 15 16.681 17.309 1.046 89 HB3 LEU 15 HB3 LEU 15 18.142 17.778 0.180 90 HG LEU 15 HG LEU 15 16.421 15.367 -0.395 91 HD11 LEU 15 HD11 LEU 15 15.476 17.573 -1.043 92 HD12 LEU 15 HD12 LEU 15 15.801 16.506 -2.408 93 HD13 LEU 15 HD13 LEU 15 16.899 17.838 -2.050 94 HD21 LEU 15 HD21 LEU 15 19.114 16.198 -1.319 95 HD22 LEU 15 HD22 LEU 15 18.006 15.539 -2.523 96 HD23 LEU 15 HD23 LEU 15 18.435 14.584 -1.102 97 H THR 16 H THR 16 18.034 17.885 3.316 98 HA THR 16 HA THR 16 20.213 19.551 3.073 99 HB THR 16 HB THR 16 19.014 18.837 5.748 100 HG1 THR 16 HG1 THR 16 17.412 20.412 5.224 101 HG21 THR 16 HG21 THR 16 20.149 20.601 6.499 102 HG22 THR 16 HG22 THR 16 19.446 21.630 5.251 103 HG23 THR 16 HG23 THR 16 20.927 20.731 4.923 104 H TYR 17 H TYR 17 19.954 16.530 4.887 105 HA TYR 17 HA TYR 17 22.650 16.760 5.911 106 HB2 TYR 17 HB2 TYR 17 20.749 15.691 7.181 107 HB3 TYR 17 HB3 TYR 17 20.822 14.357 6.034 108 HD1 TYR 17 HD1 TYR 17 23.631 16.253 7.573 109 HD2 TYR 17 HD2 TYR 17 21.551 12.550 7.322 110 HE1 TYR 17 HE1 TYR 17 25.380 15.185 8.934 111 HE2 TYR 17 HE2 TYR 17 23.293 11.472 8.682 112 HH TYR 17 HH TYR 17 25.968 13.338 10.057 113 H LEU 18 H LEU 18 20.954 15.060 3.357 114 HA LEU 18 HA LEU 18 23.117 13.321 2.684 115 HB2 LEU 18 HB2 LEU 18 20.512 14.069 1.452 116 HB3 LEU 18 HB3 LEU 18 21.718 13.263 0.451 117 HG LEU 18 HG LEU 18 20.524 12.167 2.997 118 HD11 LEU 18 HD11 LEU 18 19.196 10.773 1.694 119 HD12 LEU 18 HD12 LEU 18 20.141 11.072 0.236 120 HD13 LEU 18 HD13 LEU 18 19.083 12.330 0.873 121 HD21 LEU 18 HD21 LEU 18 21.828 10.239 1.338 122 HD22 LEU 18 HD22 LEU 18 22.160 10.670 3.016 123 HD23 LEU 18 HD23 LEU 18 22.949 11.550 1.706 124 H THR 19 H THR 19 22.686 16.603 2.307 125 HA THR 19 HA THR 19 24.188 16.780 -0.193 126 HB THR 19 HB THR 19 23.889 19.331 0.343 127 HG1 THR 19 HG1 THR 19 23.044 19.036 2.445 128 HG21 THR 19 HG21 THR 19 21.239 18.306 -0.288 129 HG22 THR 19 HG22 THR 19 22.514 17.496 -1.199 130 HG23 THR 19 HG23 THR 19 22.349 19.250 -1.280 131 H GLY 20 H GLY 20 24.725 16.777 3.157 132 HA2 GLY 20 HA2 GLY 20 27.065 16.594 3.851 133 HA3 GLY 20 HA3 GLY 20 27.425 17.894 2.725 134 H GLY 21 H GLY 21 24.516 18.527 4.229 135 HA2 GLY 21 HA2 GLY 21 25.742 20.607 5.837 136 HA3 GLY 21 HA3 GLY 21 24.022 20.381 5.554 137 HA PRO 22 HA PRO 22 24.958 19.144 9.924 138 HB2 PRO 22 HB2 PRO 22 22.876 20.510 11.006 139 HB3 PRO 22 HB3 PRO 22 24.456 21.245 10.708 140 HG2 PRO 22 HG2 PRO 22 21.955 21.400 9.070 141 HG3 PRO 22 HG3 PRO 22 23.101 22.688 9.487 142 HD2 PRO 22 HD2 PRO 22 23.115 21.448 7.080 143 HD3 PRO 22 HD3 PRO 22 24.594 22.063 7.846 144 H GLY 23 H GLY 23 24.061 17.400 10.891 145 HA2 GLY 23 HA2 GLY 23 21.451 16.680 11.179 146 HA3 GLY 23 HA3 GLY 23 21.863 16.085 9.577 147 HA PRO 24 HA PRO 24 20.883 14.310 9.430 148 HB2 PRO 24 HB2 PRO 24 19.476 12.262 10.525 149 HB3 PRO 24 HB3 PRO 24 20.847 12.013 9.437 150 HG2 PRO 24 HG2 PRO 24 20.755 11.894 12.427 151 HG3 PRO 24 HG3 PRO 24 21.574 10.808 11.289 152 HD2 PRO 24 HD2 PRO 24 22.883 12.750 12.649 153 HD3 PRO 24 HD3 PRO 24 23.363 12.237 11.018 154 H SER 25 H SER 25 19.049 15.469 9.553 155 HA SER 25 HA SER 25 18.325 16.807 11.921 156 HB2 SER 25 HB2 SER 25 16.846 17.978 10.617 157 HB3 SER 25 HB3 SER 25 17.849 17.297 9.336 158 HG SER 25 HG SER 25 15.662 16.940 8.891 159 HA PRO 26 HA PRO 26 15.458 14.188 13.959 160 HB2 PRO 26 HB2 PRO 26 13.476 15.895 14.684 161 HB3 PRO 26 HB3 PRO 26 15.072 15.900 15.442 162 HG2 PRO 26 HG2 PRO 26 13.987 17.686 13.299 163 HG3 PRO 26 HG3 PRO 26 14.959 18.108 14.721 164 HD2 PRO 26 HD2 PRO 26 16.029 17.867 12.246 165 HD3 PRO 26 HD3 PRO 26 16.933 17.465 13.720 166 H GLN 27 H GLN 27 13.879 16.384 11.649 167 HA GLN 27 HA GLN 27 11.528 14.846 11.345 168 HB2 GLN 27 HB2 GLN 27 12.832 17.012 9.727 169 HB3 GLN 27 HB3 GLN 27 11.418 16.170 9.109 170 HG2 GLN 27 HG2 GLN 27 10.024 17.242 10.486 171 HG3 GLN 27 HG3 GLN 27 11.129 17.124 11.855 172 HE21 GLN 27 HE21 GLN 27 13.191 18.523 11.457 173 HE22 GLN 27 HE22 GLN 27 12.871 20.149 10.969 174 H CYS 28 H CYS 28 14.642 14.816 9.720 175 HA CYS 28 HA CYS 28 13.916 13.149 7.560 176 HB2 CYS 28 HB2 CYS 28 15.941 14.335 7.321 177 HB3 CYS 28 HB3 CYS 28 16.542 13.792 8.884 178 H CYS 29 H CYS 29 15.501 12.401 10.660 179 HA CYS 29 HA CYS 29 15.795 9.674 10.363 180 HB2 CYS 29 HB2 CYS 29 15.278 11.380 12.787 181 HB3 CYS 29 HB3 CYS 29 15.481 9.636 12.924 182 H GLY 30 H GLY 30 12.989 11.422 11.685 183 HA2 GLY 30 HA2 GLY 30 11.396 9.231 12.311 184 HA3 GLY 30 HA3 GLY 30 10.783 10.815 11.860 185 H GLY 31 H GLY 31 11.623 10.995 9.232 186 HA2 GLY 31 HA2 GLY 31 9.623 9.464 7.921 187 HA3 GLY 31 HA3 GLY 31 10.823 10.482 7.139 188 H VAL 32 H VAL 32 13.142 9.171 8.099 189 HA VAL 32 HA VAL 32 13.533 7.234 6.145 190 HB VAL 32 HB VAL 32 15.021 7.524 8.759 191 HG11 VAL 32 HG11 VAL 32 15.561 5.957 6.266 192 HG12 VAL 32 HG12 VAL 32 16.891 6.535 7.271 193 HG13 VAL 32 HG13 VAL 32 15.678 5.450 7.950 194 HG21 VAL 32 HG21 VAL 32 15.785 9.439 7.931 195 HG22 VAL 32 HG22 VAL 32 16.511 8.536 6.601 196 HG23 VAL 32 HG23 VAL 32 14.884 9.197 6.434 197 H LYS 33 H LYS 33 13.122 6.703 9.650 198 HA LYS 33 HA LYS 33 13.034 3.917 9.565 199 HB2 LYS 33 HB2 LYS 33 11.944 5.951 11.486 200 HB3 LYS 33 HB3 LYS 33 11.624 4.238 11.725 201 HG2 LYS 33 HG2 LYS 33 13.977 3.769 11.887 202 HG3 LYS 33 HG3 LYS 33 14.373 5.442 11.489 203 HD2 LYS 33 HD2 LYS 33 14.059 6.118 13.598 204 HD3 LYS 33 HD3 LYS 33 12.542 5.226 13.741 205 HE2 LYS 33 HE2 LYS 33 14.013 3.141 13.960 206 HE3 LYS 33 HE3 LYS 33 15.345 4.263 14.234 207 HZ1 LYS 33 HZ1 LYS 33 14.438 3.584 16.327 208 HZ2 LYS 33 HZ2 LYS 33 12.872 4.019 15.859 209 HZ3 LYS 33 HZ3 LYS 33 14.050 5.212 16.085 210 H LYS 34 H LYS 34 10.655 6.264 8.701 211 HA LYS 34 HA LYS 34 8.372 4.562 8.914 212 HB2 LYS 34 HB2 LYS 34 8.545 7.178 8.768 213 HB3 LYS 34 HB3 LYS 34 8.480 6.890 7.034 214 HG2 LYS 34 HG2 LYS 34 6.411 5.355 8.002 215 HG3 LYS 34 HG3 LYS 34 6.366 6.795 9.022 216 HD2 LYS 34 HD2 LYS 34 6.003 8.215 7.214 217 HD3 LYS 34 HD3 LYS 34 6.614 7.041 6.046 218 HE2 LYS 34 HE2 LYS 34 4.608 5.604 6.726 219 HE3 LYS 34 HE3 LYS 34 3.975 7.065 7.482 220 HZ1 LYS 34 HZ1 LYS 34 3.093 7.403 5.465 221 HZ2 LYS 34 HZ2 LYS 34 4.185 6.378 4.679 222 HZ3 LYS 34 HZ3 LYS 34 4.634 7.966 5.052 223 H LEU 35 H LEU 35 10.570 5.460 6.297 224 HA LEU 35 HA LEU 35 9.169 4.162 4.219 225 HB2 LEU 35 HB2 LEU 35 11.017 5.883 4.019 226 HB3 LEU 35 HB3 LEU 35 12.146 4.569 4.341 227 HG LEU 35 HG LEU 35 10.208 4.433 2.053 228 HD11 LEU 35 HD11 LEU 35 11.228 6.314 1.310 229 HD12 LEU 35 HD12 LEU 35 12.455 5.151 0.810 230 HD13 LEU 35 HD13 LEU 35 12.663 6.066 2.304 231 HD21 LEU 35 HD21 LEU 35 12.628 2.972 2.965 232 HD22 LEU 35 HD22 LEU 35 12.368 3.140 1.229 233 HD23 LEU 35 HD23 LEU 35 11.144 2.362 2.232 234 H LEU 36 H LEU 36 11.654 3.076 6.469 235 HA LEU 36 HA LEU 36 12.027 0.530 5.229 236 HB2 LEU 36 HB2 LEU 36 12.859 1.796 7.795 237 HB3 LEU 36 HB3 LEU 36 12.994 0.047 7.624 238 HG LEU 36 HG LEU 36 14.203 1.740 5.503 239 HD11 LEU 36 HD11 LEU 36 15.996 1.218 7.751 240 HD12 LEU 36 HD12 LEU 36 14.743 2.411 8.092 241 HD13 LEU 36 HD13 LEU 36 15.838 2.647 6.729 242 HD21 LEU 36 HD21 LEU 36 15.593 -0.527 6.786 243 HD22 LEU 36 HD22 LEU 36 15.444 -0.102 5.081 244 HD23 LEU 36 HD23 LEU 36 14.111 -0.909 5.909 245 H ALA 37 H ALA 37 10.088 1.732 7.922 246 HA ALA 37 HA ALA 37 9.114 -0.850 8.681 247 HB1 ALA 37 HB1 ALA 37 9.185 0.841 10.357 248 HB2 ALA 37 HB2 ALA 37 8.208 1.936 9.378 249 HB3 ALA 37 HB3 ALA 37 7.487 0.473 10.050 250 H ALA 38 H ALA 38 8.215 1.518 6.336 251 HA ALA 38 HA ALA 38 5.502 0.619 6.021 252 HB1 ALA 38 HB1 ALA 38 7.263 2.500 4.482 253 HB2 ALA 38 HB2 ALA 38 5.663 2.038 3.900 254 HB3 ALA 38 HB3 ALA 38 5.833 2.864 5.450 255 H ALA 39 H ALA 39 8.551 -0.455 4.955 256 HA ALA 39 HA ALA 39 7.257 -2.198 2.962 257 HB1 ALA 39 HB1 ALA 39 9.244 -2.131 1.603 258 HB2 ALA 39 HB2 ALA 39 8.692 -0.483 1.903 259 HB3 ALA 39 HB3 ALA 39 10.070 -1.127 2.796 260 H ASN 40 H ASN 40 7.190 -4.194 3.751 261 HA ASN 40 HA ASN 40 9.445 -5.140 5.390 262 HB2 ASN 40 HB2 ASN 40 7.078 -5.078 6.372 263 HB3 ASN 40 HB3 ASN 40 6.714 -6.412 5.281 264 HD21 ASN 40 HD21 ASN 40 9.150 -5.436 7.667 265 HD22 ASN 40 HD22 ASN 40 9.333 -7.002 8.373 266 H THR 41 H THR 41 7.286 -5.975 2.729 267 HA THR 41 HA THR 41 8.676 -8.459 2.199 268 HB THR 41 HB THR 41 7.117 -8.778 0.383 269 HG1 THR 41 HG1 THR 41 6.132 -6.160 0.935 270 HG21 THR 41 HG21 THR 41 5.040 -7.764 2.044 271 HG22 THR 41 HG22 THR 41 6.341 -8.347 3.082 272 HG23 THR 41 HG23 THR 41 5.613 -9.424 1.892 273 H THR 42 H THR 42 8.866 -8.660 -0.463 274 HA THR 42 HA THR 42 11.167 -7.032 -1.047 275 HB THR 42 HB THR 42 9.969 -8.766 -3.150 276 HG1 THR 42 HG1 THR 42 11.467 -9.994 -1.106 277 HG21 THR 42 HG21 THR 42 12.718 -9.261 -2.503 278 HG22 THR 42 HG22 THR 42 12.447 -7.524 -2.642 279 HG23 THR 42 HG23 THR 42 12.028 -8.592 -3.981 280 HA PRO 43 HA PRO 43 8.005 -5.807 -4.713 281 HB2 PRO 43 HB2 PRO 43 5.654 -5.803 -2.877 282 HB3 PRO 43 HB3 PRO 43 5.735 -6.185 -4.600 283 HG2 PRO 43 HG2 PRO 43 5.528 -8.113 -2.750 284 HG3 PRO 43 HG3 PRO 43 6.486 -8.336 -4.226 285 HD2 PRO 43 HD2 PRO 43 7.373 -7.910 -1.440 286 HD3 PRO 43 HD3 PRO 43 8.169 -8.776 -2.769 287 H ASP 44 H ASP 44 7.122 -4.910 -1.371 288 HA ASP 44 HA ASP 44 6.714 -2.175 -1.930 289 HB2 ASP 44 HB2 ASP 44 7.020 -3.829 0.524 290 HB3 ASP 44 HB3 ASP 44 7.256 -2.091 0.688 291 H ARG 45 H ARG 45 9.520 -3.957 -0.707 292 HA ARG 45 HA ARG 45 11.164 -1.714 -0.251 293 HB2 ARG 45 HB2 ARG 45 11.588 -4.644 -0.540 294 HB3 ARG 45 HB3 ARG 45 12.995 -3.603 -0.715 295 HG2 ARG 45 HG2 ARG 45 12.809 -2.795 1.478 296 HG3 ARG 45 HG3 ARG 45 11.162 -3.404 1.650 297 HD2 ARG 45 HD2 ARG 45 12.208 -5.727 1.304 298 HD3 ARG 45 HD3 ARG 45 13.745 -4.931 1.640 299 HE ARG 45 HE ARG 45 11.928 -4.271 3.669 300 HH11 ARG 45 HH11 ARG 45 13.690 -7.017 2.456 301 HH12 ARG 45 HH12 ARG 45 13.778 -7.806 3.996 302 HH21 ARG 45 HH21 ARG 45 12.038 -5.299 5.702 303 HH22 ARG 45 HH22 ARG 45 12.838 -6.828 5.842 304 H GLN 46 H GLN 46 10.331 -3.464 -3.127 305 HA GLN 46 HA GLN 46 12.517 -2.614 -4.732 306 HB2 GLN 46 HB2 GLN 46 9.887 -3.913 -5.207 307 HB3 GLN 46 HB3 GLN 46 10.647 -3.115 -6.578 308 HG2 GLN 46 HG2 GLN 46 12.669 -4.471 -6.210 309 HG3 GLN 46 HG3 GLN 46 11.841 -5.308 -4.898 310 HE21 GLN 46 HE21 GLN 46 12.619 -7.039 -6.534 311 HE22 GLN 46 HE22 GLN 46 11.427 -7.551 -7.676 312 H ALA 47 H ALA 47 9.144 -1.494 -4.497 313 HA ALA 47 HA ALA 47 9.283 0.589 -6.327 314 HB1 ALA 47 HB1 ALA 47 7.556 -0.046 -4.005 315 HB2 ALA 47 HB2 ALA 47 7.501 1.604 -4.628 316 HB3 ALA 47 HB3 ALA 47 7.130 0.247 -5.692 317 H ALA 48 H ALA 48 9.637 0.831 -2.782 318 HA ALA 48 HA ALA 48 10.297 3.504 -2.610 319 HB1 ALA 48 HB1 ALA 48 11.154 3.060 -0.456 320 HB2 ALA 48 HB2 ALA 48 9.874 1.876 -0.720 321 HB3 ALA 48 HB3 ALA 48 11.564 1.397 -0.878 322 H CYS 49 H CYS 49 12.587 0.774 -2.813 323 HA CYS 49 HA CYS 49 14.957 2.144 -2.868 324 HB2 CYS 49 HB2 CYS 49 14.032 -0.426 -4.048 325 HB3 CYS 49 HB3 CYS 49 15.576 0.209 -4.608 326 H ASN 50 H ASN 50 12.896 1.380 -5.665 327 HA ASN 50 HA ASN 50 14.476 2.544 -7.641 328 HB2 ASN 50 HB2 ASN 50 11.452 2.460 -7.586 329 HB3 ASN 50 HB3 ASN 50 12.475 2.591 -9.013 330 HD21 ASN 50 HD21 ASN 50 10.469 0.589 -8.286 331 HD22 ASN 50 HD22 ASN 50 11.286 -0.932 -8.326 332 H CYS 51 H CYS 51 11.846 3.980 -5.728 333 HA CYS 51 HA CYS 51 11.984 6.540 -6.904 334 HB2 CYS 51 HB2 CYS 51 10.865 5.493 -4.319 335 HB3 CYS 51 HB3 CYS 51 10.868 7.220 -4.661 336 H LEU 52 H LEU 52 13.788 5.010 -4.346 337 HA LEU 52 HA LEU 52 14.919 7.413 -3.289 338 HB2 LEU 52 HB2 LEU 52 15.331 4.500 -2.923 339 HB3 LEU 52 HB3 LEU 52 16.656 5.568 -2.467 340 HG LEU 52 HG LEU 52 13.849 5.737 -1.373 341 HD11 LEU 52 HD11 LEU 52 16.328 4.703 -0.012 342 HD12 LEU 52 HD12 LEU 52 15.092 3.671 -0.731 343 HD13 LEU 52 HD13 LEU 52 14.682 4.726 0.621 344 HD21 LEU 52 HD21 LEU 52 15.503 7.009 0.375 345 HD22 LEU 52 HD22 LEU 52 14.539 7.810 -0.866 346 HD23 LEU 52 HD23 LEU 52 16.234 7.429 -1.174 347 H LYS 53 H LYS 53 16.312 4.760 -5.227 348 HA LYS 53 HA LYS 53 18.797 5.841 -5.714 349 HB2 LYS 53 HB2 LYS 53 17.642 3.567 -6.449 350 HB3 LYS 53 HB3 LYS 53 17.424 4.440 -7.960 351 HG2 LYS 53 HG2 LYS 53 19.663 4.500 -8.412 352 HG3 LYS 53 HG3 LYS 53 20.122 4.417 -6.710 353 HD2 LYS 53 HD2 LYS 53 20.688 2.339 -7.817 354 HD3 LYS 53 HD3 LYS 53 19.388 2.062 -6.655 355 HE2 LYS 53 HE2 LYS 53 19.074 0.919 -8.853 356 HE3 LYS 53 HE3 LYS 53 17.754 1.994 -8.395 357 HZ1 LYS 53 HZ1 LYS 53 19.953 2.709 -10.259 358 HZ2 LYS 53 HZ2 LYS 53 18.617 3.670 -9.870 359 HZ3 LYS 53 HZ3 LYS 53 18.401 2.232 -10.733 360 H SER 54 H SER 54 15.776 6.423 -7.460 361 HA SER 54 HA SER 54 16.984 8.129 -9.416 362 HB2 SER 54 HB2 SER 54 15.004 7.071 -10.135 363 HB3 SER 54 HB3 SER 54 14.137 7.499 -8.660 364 HG SER 54 HG SER 54 14.988 9.283 -10.698 365 H ALA 55 H ALA 55 15.621 8.554 -6.255 366 HA ALA 55 HA ALA 55 15.175 11.368 -6.448 367 HB1 ALA 55 HB1 ALA 55 13.913 10.305 -4.798 368 HB2 ALA 55 HB2 ALA 55 15.309 9.435 -4.159 369 HB3 ALA 55 HB3 ALA 55 15.154 11.172 -3.891 370 H ALA 56 H ALA 56 17.717 9.404 -4.906 371 HA ALA 56 HA ALA 56 19.295 11.593 -4.077 372 HB1 ALA 56 HB1 ALA 56 19.444 9.274 -3.172 373 HB2 ALA 56 HB2 ALA 56 20.262 8.800 -4.661 374 HB3 ALA 56 HB3 ALA 56 21.001 9.990 -3.590 375 H GLY 57 H GLY 57 18.747 10.267 -7.150 376 HA2 GLY 57 HA2 GLY 57 21.226 10.594 -8.411 377 HA3 GLY 57 HA3 GLY 57 19.664 10.679 -9.212 378 H SER 58 H SER 58 19.064 12.953 -7.201 379 HA SER 58 HA SER 58 20.091 15.052 -8.944 380 HB2 SER 58 HB2 SER 58 18.453 16.499 -7.845 381 HB3 SER 58 HB3 SER 58 17.680 15.014 -8.398 382 HG SER 58 HG SER 58 17.906 15.998 -5.888 383 H ILE 59 H ILE 59 21.229 13.523 -6.324 384 HA ILE 59 HA ILE 59 22.087 15.813 -4.778 385 HB ILE 59 HB ILE 59 22.944 12.929 -4.517 386 HG12 ILE 59 HG12 ILE 59 20.759 14.457 -3.085 387 HG13 ILE 59 HG13 ILE 59 20.522 13.152 -4.242 388 HG21 ILE 59 HG21 ILE 59 24.490 14.478 -3.469 389 HG22 ILE 59 HG22 ILE 59 23.160 15.258 -2.615 390 HG23 ILE 59 HG23 ILE 59 23.589 13.589 -2.239 391 HD11 ILE 59 HD11 ILE 59 21.704 11.631 -2.692 392 HD12 ILE 59 HD12 ILE 59 21.782 12.947 -1.520 393 HD13 ILE 59 HD13 ILE 59 20.218 12.307 -2.026 394 H THR 60 H THR 60 23.723 17.038 -5.412 395 HA THR 60 HA THR 60 25.621 16.177 -7.374 396 HB THR 60 HB THR 60 24.974 18.493 -7.381 397 HG1 THR 60 HG1 THR 60 27.136 18.122 -7.975 398 HG21 THR 60 HG21 THR 60 25.116 18.252 -4.575 399 HG22 THR 60 HG22 THR 60 24.614 19.657 -5.516 400 HG23 THR 60 HG23 THR 60 26.301 19.472 -5.039 401 H LYS 61 H LYS 61 27.434 15.090 -7.026 402 HA LYS 61 HA LYS 61 29.230 14.141 -6.002 403 HB2 LYS 61 HB2 LYS 61 29.052 16.809 -4.647 404 HB3 LYS 61 HB3 LYS 61 30.233 15.628 -4.096 405 HG2 LYS 61 HG2 LYS 61 30.736 15.561 -6.727 406 HG3 LYS 61 HG3 LYS 61 30.156 17.221 -6.576 407 HD2 LYS 61 HD2 LYS 61 32.408 17.494 -6.178 408 HD3 LYS 61 HD3 LYS 61 31.793 17.294 -4.536 409 HE2 LYS 61 HE2 LYS 61 32.552 15.076 -4.408 410 HE3 LYS 61 HE3 LYS 61 32.773 14.961 -6.153 411 HZ1 LYS 61 HZ1 LYS 61 34.763 16.001 -6.063 412 HZ2 LYS 61 HZ2 LYS 61 34.775 15.375 -4.492 413 HZ3 LYS 61 HZ3 LYS 61 34.336 16.987 -4.756 414 H LEU 62 H LEU 62 27.007 12.940 -5.225 415 HA LEU 62 HA LEU 62 26.216 12.949 -2.586 416 HB2 LEU 62 HB2 LEU 62 25.052 11.636 -4.210 417 HB3 LEU 62 HB3 LEU 62 26.481 10.650 -4.512 418 HG LEU 62 HG LEU 62 26.147 10.097 -1.923 419 HD11 LEU 62 HD11 LEU 62 23.310 9.966 -2.533 420 HD12 LEU 62 HD12 LEU 62 23.904 11.621 -2.404 421 HD13 LEU 62 HD13 LEU 62 24.131 10.497 -1.065 422 HD21 LEU 62 HD21 LEU 62 24.364 8.341 -3.095 423 HD22 LEU 62 HD22 LEU 62 26.115 8.151 -3.007 424 HD23 LEU 62 HD23 LEU 62 25.377 8.872 -4.438 425 H ASN 63 H ASN 63 26.940 12.081 -0.696 426 HA ASN 63 HA ASN 63 29.687 11.037 -0.725 427 HB2 ASN 63 HB2 ASN 63 28.867 13.162 0.630 428 HB3 ASN 63 HB3 ASN 63 28.362 11.941 1.795 429 HD21 ASN 63 HD21 ASN 63 30.727 14.010 1.175 430 HD22 ASN 63 HD22 ASN 63 32.082 13.166 1.837 431 H THR 64 H THR 64 29.580 8.871 -0.842 432 HA THR 64 HA THR 64 27.558 7.208 0.051 433 HB THR 64 HB THR 64 29.383 5.418 0.167 434 HG1 THR 64 HG1 THR 64 31.347 6.256 -0.982 435 HG21 THR 64 HG21 THR 64 28.748 5.093 -1.942 436 HG22 THR 64 HG22 THR 64 29.846 6.365 -2.478 437 HG23 THR 64 HG23 THR 64 28.188 6.762 -2.029 438 H ASN 65 H ASN 65 30.340 8.474 1.799 439 HA ASN 65 HA ASN 65 30.082 6.864 4.103 440 HB2 ASN 65 HB2 ASN 65 31.333 9.578 3.667 441 HB3 ASN 65 HB3 ASN 65 31.415 8.720 5.203 442 HD21 ASN 65 HD21 ASN 65 33.224 7.662 5.493 443 HD22 ASN 65 HD22 ASN 65 34.193 6.933 4.262 444 H ASN 66 H ASN 66 28.858 10.104 3.323 445 HA ASN 66 HA ASN 66 27.596 10.540 5.818 446 HB2 ASN 66 HB2 ASN 66 26.892 11.757 3.138 447 HB3 ASN 66 HB3 ASN 66 26.473 12.401 4.723 448 HD21 ASN 66 HD21 ASN 66 27.710 14.066 3.093 449 HD22 ASN 66 HD22 ASN 66 29.360 14.300 3.548 450 H ALA 67 H ALA 67 26.494 9.159 2.766 451 HA ALA 67 HA ALA 67 23.759 9.007 3.317 452 HB1 ALA 67 HB1 ALA 67 25.620 7.610 1.483 453 HB2 ALA 67 HB2 ALA 67 24.045 6.865 1.763 454 HB3 ALA 67 HB3 ALA 67 24.143 8.510 1.135 455 H ALA 68 H ALA 68 26.404 6.825 4.157 456 HA ALA 68 HA ALA 68 24.686 4.819 5.276 457 HB1 ALA 68 HB1 ALA 68 27.042 4.155 6.309 458 HB2 ALA 68 HB2 ALA 68 26.625 3.827 4.626 459 HB3 ALA 68 HB3 ALA 68 27.611 5.231 5.033 460 H ALA 69 H ALA 69 26.276 7.680 6.439 461 HA ALA 69 HA ALA 69 26.128 7.033 9.219 462 HB1 ALA 69 HB1 ALA 69 26.473 9.699 7.850 463 HB2 ALA 69 HB2 ALA 69 26.689 9.398 9.575 464 HB3 ALA 69 HB3 ALA 69 27.763 8.631 8.406 465 H LEU 70 H LEU 70 23.939 8.367 6.894 466 HA LEU 70 HA LEU 70 22.209 9.806 8.543 467 HB2 LEU 70 HB2 LEU 70 21.753 10.122 6.326 468 HB3 LEU 70 HB3 LEU 70 21.968 8.419 5.928 469 HG LEU 70 HG LEU 70 19.774 7.908 6.852 470 HD11 LEU 70 HD11 LEU 70 19.364 10.858 7.255 471 HD12 LEU 70 HD12 LEU 70 19.869 9.777 8.554 472 HD13 LEU 70 HD13 LEU 70 18.318 9.527 7.752 473 HD21 LEU 70 HD21 LEU 70 19.575 8.313 4.595 474 HD22 LEU 70 HD22 LEU 70 20.049 10.005 4.745 475 HD23 LEU 70 HD23 LEU 70 18.442 9.491 5.259 476 HA PRO 71 HA PRO 71 19.657 5.739 9.120 477 HB2 PRO 71 HB2 PRO 71 20.845 3.417 8.368 478 HB3 PRO 71 HB3 PRO 71 19.851 4.386 7.274 479 HG2 PRO 71 HG2 PRO 71 22.832 4.261 7.514 480 HG3 PRO 71 HG3 PRO 71 21.828 4.297 6.053 481 HD2 PRO 71 HD2 PRO 71 23.088 6.495 7.009 482 HD3 PRO 71 HD3 PRO 71 21.531 6.580 6.162 483 H GLY 72 H GLY 72 23.174 5.305 9.392 484 HA2 GLY 72 HA2 GLY 72 23.098 3.655 11.692 485 HA3 GLY 72 HA3 GLY 72 24.488 4.569 11.127 486 H LYS 73 H LYS 73 23.251 7.151 11.273 487 HA LYS 73 HA LYS 73 23.686 7.674 14.061 488 HB2 LYS 73 HB2 LYS 73 22.964 9.423 11.714 489 HB3 LYS 73 HB3 LYS 73 23.098 10.055 13.349 490 HG2 LYS 73 HG2 LYS 73 25.427 8.516 12.732 491 HG3 LYS 73 HG3 LYS 73 25.141 9.701 11.456 492 HD2 LYS 73 HD2 LYS 73 24.740 11.300 13.522 493 HD3 LYS 73 HD3 LYS 73 25.764 10.115 14.337 494 HE2 LYS 73 HE2 LYS 73 27.488 10.433 12.633 495 HE3 LYS 73 HE3 LYS 73 26.462 11.606 11.808 496 HZ1 LYS 73 HZ1 LYS 73 26.520 12.941 13.887 497 HZ2 LYS 73 HZ2 LYS 73 28.023 12.790 13.127 498 HZ3 LYS 73 HZ3 LYS 73 27.675 11.869 14.502 499 H CYS 74 H CYS 74 20.929 7.301 11.974 500 HA CYS 74 HA CYS 74 19.069 8.434 13.877 501 HB2 CYS 74 HB2 CYS 74 18.728 7.033 11.227 502 HB3 CYS 74 HB3 CYS 74 17.358 7.514 12.224 503 H GLY 75 H GLY 75 20.770 5.674 13.897 504 HA2 GLY 75 HA2 GLY 75 20.568 3.741 15.126 505 HA3 GLY 75 HA3 GLY 75 19.108 4.422 15.829 506 H VAL 76 H VAL 76 19.171 4.257 12.412 507 HA VAL 76 HA VAL 76 17.602 1.765 12.459 508 HB VAL 76 HB VAL 76 16.021 3.575 12.232 509 HG11 VAL 76 HG11 VAL 76 16.142 5.271 10.578 510 HG12 VAL 76 HG12 VAL 76 17.728 5.209 11.349 511 HG13 VAL 76 HG13 VAL 76 17.489 4.476 9.763 512 HG21 VAL 76 HG21 VAL 76 15.008 2.994 10.072 513 HG22 VAL 76 HG22 VAL 76 16.512 2.213 9.584 514 HG23 VAL 76 HG23 VAL 76 15.580 1.565 10.934 515 H ASN 77 H ASN 77 18.491 0.262 11.220 516 HA ASN 77 HA ASN 77 20.346 1.063 9.104 517 HB2 ASN 77 HB2 ASN 77 19.975 -1.381 10.763 518 HB3 ASN 77 HB3 ASN 77 20.633 -1.592 9.144 519 HD21 ASN 77 HD21 ASN 77 22.650 -2.197 9.828 520 HD22 ASN 77 HD22 ASN 77 23.753 -1.108 10.591 521 H ILE 78 H ILE 78 20.242 0.109 7.005 522 HA ILE 78 HA ILE 78 17.506 -0.668 6.239 523 HB ILE 78 HB ILE 78 18.246 0.081 3.916 524 HG12 ILE 78 HG12 ILE 78 20.716 0.181 4.859 525 HG13 ILE 78 HG13 ILE 78 20.177 1.296 3.608 526 HG21 ILE 78 HG21 ILE 78 16.677 1.451 4.915 527 HG22 ILE 78 HG22 ILE 78 17.754 1.892 6.240 528 HG23 ILE 78 HG23 ILE 78 18.013 2.567 4.632 529 HD11 ILE 78 HD11 ILE 78 20.153 3.087 5.027 530 HD12 ILE 78 HD12 ILE 78 19.898 2.090 6.460 531 HD13 ILE 78 HD13 ILE 78 21.487 2.149 5.697 532 HA PRO 79 HA PRO 79 18.915 -4.577 4.820 533 HB2 PRO 79 HB2 PRO 79 17.232 -5.004 2.733 534 HB3 PRO 79 HB3 PRO 79 16.711 -5.088 4.420 535 HG2 PRO 79 HG2 PRO 79 16.414 -2.850 2.454 536 HG3 PRO 79 HG3 PRO 79 15.234 -3.480 3.619 537 HD2 PRO 79 HD2 PRO 79 16.671 -1.230 4.073 538 HD3 PRO 79 HD3 PRO 79 16.165 -2.321 5.380 539 H TYR 80 H TYR 80 18.752 -1.909 2.562 540 HA TYR 80 HA TYR 80 20.880 -3.187 0.975 541 HB2 TYR 80 HB2 TYR 80 18.902 -1.238 -0.189 542 HB3 TYR 80 HB3 TYR 80 19.982 -2.338 -1.037 543 HD1 TYR 80 HD2 TYR 80 19.550 -4.887 -0.618 544 HD2 TYR 80 HD1 TYR 80 16.679 -1.829 0.095 545 HE1 TYR 80 HE2 TYR 80 17.748 -6.555 -0.758 546 HE2 TYR 80 HE1 TYR 80 14.869 -3.489 -0.042 547 HH TYR 80 HH TYR 80 15.561 -6.936 -0.407 548 H LYS 81 H LYS 81 21.616 -1.127 -0.622 549 HA LYS 81 HA LYS 81 22.692 0.801 1.315 550 HB2 LYS 81 HB2 LYS 81 23.703 0.305 -1.483 551 HB3 LYS 81 HB3 LYS 81 24.531 1.127 -0.168 552 HG2 LYS 81 HG2 LYS 81 23.855 -1.806 -0.255 553 HG3 LYS 81 HG3 LYS 81 25.443 -1.099 -0.559 554 HD2 LYS 81 HD2 LYS 81 25.462 -0.196 1.727 555 HD3 LYS 81 HD3 LYS 81 23.890 -0.942 2.025 556 HE2 LYS 81 HE2 LYS 81 24.795 -3.127 1.825 557 HE3 LYS 81 HE3 LYS 81 26.315 -2.511 1.178 558 HZ1 LYS 81 HZ1 LYS 81 25.509 -2.848 3.895 559 HZ2 LYS 81 HZ2 LYS 81 26.045 -1.272 3.599 560 HZ3 LYS 81 HZ3 LYS 81 27.054 -2.586 3.257 561 H ILE 82 H ILE 82 23.289 2.975 0.144 562 HA ILE 82 HA ILE 82 21.003 3.823 -1.506 563 HB ILE 82 HB ILE 82 22.216 5.466 0.718 564 HG12 ILE 82 HG12 ILE 82 19.712 5.092 1.551 565 HG13 ILE 82 HG13 ILE 82 19.890 3.603 0.628 566 HG21 ILE 82 HG21 ILE 82 21.064 7.203 -0.065 567 HG22 ILE 82 HG22 ILE 82 20.804 6.258 -1.530 568 HG23 ILE 82 HG23 ILE 82 19.598 6.240 -0.244 569 HD11 ILE 82 HD11 ILE 82 22.207 3.853 2.193 570 HD12 ILE 82 HD12 ILE 82 20.839 4.231 3.241 571 HD13 ILE 82 HD13 ILE 82 20.889 2.696 2.374 572 H SER 83 H SER 83 22.144 3.899 -3.409 573 HA SER 83 HA SER 83 23.750 6.215 -3.850 574 HB2 SER 83 HB2 SER 83 25.073 3.515 -3.729 575 HB3 SER 83 HB3 SER 83 25.716 4.793 -4.760 576 HG SER 83 HG SER 83 26.510 4.594 -2.479 577 H THR 84 H THR 84 24.876 5.833 -6.196 578 HA THR 84 HA THR 84 22.633 5.392 -7.952 579 HB THR 84 HB THR 84 24.326 5.990 -9.756 580 HG1 THR 84 HG1 THR 84 25.930 6.786 -7.549 581 HG21 THR 84 HG21 THR 84 22.809 7.660 -8.921 582 HG22 THR 84 HG22 THR 84 24.410 8.386 -9.067 583 HG23 THR 84 HG23 THR 84 23.800 7.905 -7.484 584 H THR 85 H THR 85 24.718 3.319 -6.545 585 HA THR 85 HA THR 85 24.611 1.457 -8.827 586 HB THR 85 HB THR 85 26.704 0.443 -8.091 587 HG1 THR 85 HG1 THR 85 26.501 2.383 -6.035 588 HG21 THR 85 HG21 THR 85 26.918 3.438 -8.424 589 HG22 THR 85 HG22 THR 85 26.851 2.245 -9.721 590 HG23 THR 85 HG23 THR 85 28.240 2.291 -8.636 591 H THR 86 H THR 86 22.503 1.477 -7.178 592 HA THR 86 HA THR 86 22.922 -0.877 -5.451 593 HB THR 86 HB THR 86 21.030 1.443 -5.043 594 HG1 THR 86 HG1 THR 86 23.403 0.546 -3.859 595 HG21 THR 86 HG21 THR 86 20.975 -1.326 -3.997 596 HG22 THR 86 HG22 THR 86 19.657 -0.180 -4.242 597 HG23 THR 86 HG23 THR 86 20.701 -0.034 -2.828 598 H ASN 87 H ASN 87 21.596 -2.593 -5.726 599 HA ASN 87 HA ASN 87 19.288 -2.292 -7.521 600 HB2 ASN 87 HB2 ASN 87 21.509 -3.353 -8.501 601 HB3 ASN 87 HB3 ASN 87 20.919 -4.790 -7.673 602 HD21 ASN 87 HD21 ASN 87 21.213 -4.801 -10.371 603 HD22 ASN 87 HD22 ASN 87 19.664 -4.831 -11.136 604 H CYS 88 H CYS 88 17.787 -2.453 -5.896 605 HA CYS 88 HA CYS 88 17.924 -4.547 -3.923 606 HB2 CYS 88 HB2 CYS 88 15.562 -2.765 -4.522 607 HB3 CYS 88 HB3 CYS 88 15.920 -3.609 -3.019 608 H ASN 89 H ASN 89 16.862 -4.341 -7.110 609 HA ASN 89 HA ASN 89 14.686 -6.216 -6.907 610 HB2 ASN 89 HB2 ASN 89 15.072 -4.358 -8.697 611 HB3 ASN 89 HB3 ASN 89 16.096 -5.560 -9.475 612 HD21 ASN 89 HD21 ASN 89 13.613 -4.375 -10.399 613 HD22 ASN 89 HD22 ASN 89 12.517 -5.686 -10.656 614 H THR 90 H THR 90 18.100 -6.311 -7.721 615 HA THR 90 HA THR 90 17.944 -9.161 -8.349 616 HB THR 90 HB THR 90 20.475 -8.826 -8.739 617 HG1 THR 90 HG1 THR 90 20.757 -6.475 -9.365 618 HG21 THR 90 HG21 THR 90 18.166 -8.096 -10.363 619 HG22 THR 90 HG22 THR 90 19.592 -9.043 -10.787 620 HG23 THR 90 HG23 THR 90 19.647 -7.283 -10.868 621 H VAL 91 H VAL 91 17.323 -8.621 -5.716 622 HA VAL 91 HA VAL 91 19.732 -9.166 -4.154 623 HB VAL 91 HB VAL 91 16.896 -8.650 -3.249 624 HG11 VAL 91 HG11 VAL 91 17.496 -9.415 -1.254 625 HG12 VAL 91 HG12 VAL 91 19.104 -9.805 -1.869 626 HG13 VAL 91 HG13 VAL 91 18.782 -8.210 -1.188 627 HG21 VAL 91 HG21 VAL 91 17.393 -6.457 -3.055 628 HG22 VAL 91 HG22 VAL 91 19.069 -6.767 -2.601 629 HG23 VAL 91 HG23 VAL 91 18.589 -6.830 -4.296 630 H LYS 92 H LYS 92 20.304 -11.169 -3.662 631 HA LYS 92 HA LYS 92 18.334 -13.322 -3.950 632 HB2 LYS 92 HB2 LYS 92 21.310 -13.173 -4.132 633 HB3 LYS 92 HB3 LYS 92 20.576 -14.698 -3.656 634 HG2 LYS 92 HG2 LYS 92 20.098 -15.172 -5.761 635 HG3 LYS 92 HG3 LYS 92 19.203 -13.661 -5.938 636 HD2 LYS 92 HD2 LYS 92 20.985 -12.556 -6.854 637 HD3 LYS 92 HD3 LYS 92 22.174 -13.541 -5.999 638 HE2 LYS 92 HE2 LYS 92 21.992 -15.296 -7.527 639 HE3 LYS 92 HE3 LYS 92 20.444 -14.720 -8.144 640 HZ1 LYS 92 HZ1 LYS 92 22.991 -14.197 -9.147 641 HZ2 LYS 92 HZ2 LYS 92 22.384 -12.733 -8.556 642 HZ3 LYS 92 HZ3 LYS 92 21.510 -13.605 -9.711 643 H PHE 93 H PHE 93 17.356 -13.970 -2.157 644 HA PHE 93 HA PHE 93 16.919 -14.420 0.032 645 HB2 PHE 93 HB2 PHE 93 19.691 -15.400 -0.428 646 HB3 PHE 93 HB3 PHE 93 19.126 -15.328 1.238 647 HD1 PHE 93 HD1 PHE 93 16.936 -16.512 1.795 648 HD2 PHE 93 HD2 PHE 93 19.116 -17.185 -1.798 649 HE1 PHE 93 HE1 PHE 93 15.767 -18.656 1.492 650 HE2 PHE 93 HE2 PHE 93 17.950 -19.330 -2.107 651 HZ PHE 93 HZ PHE 93 16.273 -20.067 -0.462 Start of MODEL 3 1 H1 ALA 1 H ALA 1 0.520 -1.107 -0.852 2 HA ALA 1 HA ALA 1 2.967 -0.942 -0.179 3 HB1 ALA 1 HB1 ALA 1 3.827 -1.443 -2.414 4 HB2 ALA 1 HB2 ALA 1 2.320 -2.302 -2.094 5 HB3 ALA 1 HB3 ALA 1 2.318 -0.870 -3.123 6 H ILE 2 H ILE 2 4.997 0.073 -1.182 7 HA ILE 2 HA ILE 2 4.812 2.909 -0.811 8 HB ILE 2 HB ILE 2 7.161 1.192 -1.622 9 HG12 ILE 2 HG12 ILE 2 7.785 1.931 0.834 10 HG13 ILE 2 HG13 ILE 2 6.042 2.119 0.993 11 HG21 ILE 2 HG21 ILE 2 8.363 3.317 -0.650 12 HG22 ILE 2 HG22 ILE 2 7.855 3.254 -2.336 13 HG23 ILE 2 HG23 ILE 2 6.874 4.117 -1.152 14 HD11 ILE 2 HD11 ILE 2 7.149 -0.421 -0.100 15 HD12 ILE 2 HD12 ILE 2 7.186 -0.120 1.638 16 HD13 ILE 2 HD13 ILE 2 5.647 -0.130 0.778 17 H SER 3 H SER 3 4.324 4.337 -2.327 18 HA SER 3 HA SER 3 4.550 3.583 -5.142 19 HB2 SER 3 HB2 SER 3 2.410 4.457 -4.673 20 HB3 SER 3 HB3 SER 3 3.065 5.766 -3.689 21 HG SER 3 HG SER 3 2.417 6.501 -5.752 22 H CYS 4 H CYS 4 4.940 6.732 -3.538 23 HA CYS 4 HA CYS 4 7.686 7.028 -4.064 24 HB2 CYS 4 HB2 CYS 4 6.232 7.220 -6.392 25 HB3 CYS 4 HB3 CYS 4 6.375 8.904 -5.898 26 H GLY 5 H GLY 5 4.553 8.601 -3.712 27 HA2 GLY 5 HA2 GLY 5 5.400 11.131 -2.889 28 HA3 GLY 5 HA3 GLY 5 3.882 10.377 -2.424 29 H ALA 6 H ALA 6 5.093 8.140 -1.061 30 HA ALA 6 HA ALA 6 5.473 9.359 1.494 31 HB1 ALA 6 HB1 ALA 6 5.289 6.591 0.453 32 HB2 ALA 6 HB2 ALA 6 6.100 6.822 2.003 33 HB3 ALA 6 HB3 ALA 6 4.434 7.362 1.790 34 H VAL 7 H VAL 7 7.578 8.038 -0.962 35 HA VAL 7 HA VAL 7 9.906 7.889 0.697 36 HB VAL 7 HB VAL 7 9.828 8.039 -2.316 37 HG11 VAL 7 HG11 VAL 7 12.027 7.744 -2.232 38 HG12 VAL 7 HG12 VAL 7 11.951 7.939 -0.480 39 HG13 VAL 7 HG13 VAL 7 11.839 6.330 -1.195 40 HG21 VAL 7 HG21 VAL 7 9.734 5.613 -2.327 41 HG22 VAL 7 HG22 VAL 7 9.662 5.587 -0.565 42 HG23 VAL 7 HG23 VAL 7 8.328 6.273 -1.491 43 H THR 8 H THR 8 8.592 10.246 -1.580 44 HA THR 8 HA THR 8 10.838 11.985 -1.537 45 HB THR 8 HB THR 8 7.977 12.719 -2.178 46 HG1 THR 8 HG1 THR 8 8.657 10.976 -3.479 47 HG21 THR 8 HG21 THR 8 9.542 14.188 -3.824 48 HG22 THR 8 HG22 THR 8 10.581 14.082 -2.403 49 HG23 THR 8 HG23 THR 8 8.958 14.755 -2.260 50 H SER 9 H SER 9 8.151 11.498 0.579 51 HA SER 9 HA SER 9 8.063 14.031 1.814 52 HB2 SER 9 HB2 SER 9 6.205 12.817 2.392 53 HB3 SER 9 HB3 SER 9 7.095 11.297 2.482 54 HG SER 9 HG SER 9 7.559 11.673 4.519 55 H ASP 10 H ASP 10 9.694 11.024 2.805 56 HA ASP 10 HA ASP 10 11.045 12.286 4.991 57 HB2 ASP 10 HB2 ASP 10 11.908 9.681 3.768 58 HB3 ASP 10 HB3 ASP 10 11.966 10.185 5.455 59 H LEU 11 H LEU 11 11.648 11.939 1.632 60 HA LEU 11 HA LEU 11 14.484 12.132 1.687 61 HB2 LEU 11 HB2 LEU 11 12.377 12.512 -0.397 62 HB3 LEU 11 HB3 LEU 11 14.036 13.004 -0.730 63 HG LEU 11 HG LEU 11 13.361 10.214 0.158 64 HD11 LEU 11 HD11 LEU 11 13.625 9.747 -2.374 65 HD12 LEU 11 HD12 LEU 11 13.158 11.437 -2.563 66 HD13 LEU 11 HD13 LEU 11 12.069 10.306 -1.758 67 HD21 LEU 11 HD21 LEU 11 15.501 10.096 -1.508 68 HD22 LEU 11 HD22 LEU 11 15.604 10.224 0.249 69 HD23 LEU 11 HD23 LEU 11 15.740 11.671 -0.750 70 H SER 12 H SER 12 11.870 14.471 1.624 71 HA SER 12 HA SER 12 13.242 16.770 0.909 72 HB2 SER 12 HB2 SER 12 10.813 16.198 2.530 73 HB3 SER 12 HB3 SER 12 11.512 17.811 2.670 74 HG SER 12 HG SER 12 10.591 18.233 0.842 75 HA PRO 13 HA PRO 13 14.317 17.502 5.565 76 HB2 PRO 13 HB2 PRO 13 13.917 15.429 7.272 77 HB3 PRO 13 HB3 PRO 13 12.677 16.640 6.924 78 HG2 PRO 13 HG2 PRO 13 13.006 13.887 5.795 79 HG3 PRO 13 HG3 PRO 13 11.529 14.704 6.339 80 HD2 PRO 13 HD2 PRO 13 12.207 14.508 3.725 81 HD3 PRO 13 HD3 PRO 13 11.318 15.898 4.379 82 H CYS 14 H CYS 14 14.857 14.407 4.054 83 HA CYS 14 HA CYS 14 17.350 13.926 5.437 84 HB2 CYS 14 HB2 CYS 14 15.835 12.504 3.264 85 HB3 CYS 14 HB3 CYS 14 17.495 12.058 3.643 86 H LEU 15 H LEU 15 16.321 15.659 2.694 87 HA LEU 15 HA LEU 15 18.569 15.434 1.023 88 HB2 LEU 15 HB2 LEU 15 16.325 17.342 1.335 89 HB3 LEU 15 HB3 LEU 15 17.738 17.904 0.443 90 HG LEU 15 HG LEU 15 16.034 15.509 -0.240 91 HD11 LEU 15 HD11 LEU 15 16.313 18.232 -1.498 92 HD12 LEU 15 HD12 LEU 15 14.875 17.543 -0.745 93 HD13 LEU 15 HD13 LEU 15 15.491 16.865 -2.252 94 HD21 LEU 15 HD21 LEU 15 17.561 16.015 -2.422 95 HD22 LEU 15 HD22 LEU 15 17.935 14.796 -1.203 96 HD23 LEU 15 HD23 LEU 15 18.694 16.387 -1.123 97 H THR 16 H THR 16 17.760 17.863 3.494 98 HA THR 16 HA THR 16 19.951 19.513 3.280 99 HB THR 16 HB THR 16 18.783 18.708 5.943 100 HG1 THR 16 HG1 THR 16 17.306 20.531 5.426 101 HG21 THR 16 HG21 THR 16 19.143 21.283 6.215 102 HG22 THR 16 HG22 THR 16 20.277 21.070 4.881 103 HG23 THR 16 HG23 THR 16 20.508 20.182 6.387 104 H TYR 17 H TYR 17 19.724 16.366 4.824 105 HA TYR 17 HA TYR 17 22.399 16.544 5.921 106 HB2 TYR 17 HB2 TYR 17 20.637 15.351 7.156 107 HB3 TYR 17 HB3 TYR 17 20.470 14.213 5.823 108 HD1 TYR 17 HD2 TYR 17 23.071 15.540 8.155 109 HD2 TYR 17 HD1 TYR 17 21.629 12.215 5.927 110 HE1 TYR 17 HE2 TYR 17 24.811 14.121 9.159 111 HE2 TYR 17 HE1 TYR 17 23.364 10.786 6.925 112 HH TYR 17 HH TYR 17 26.030 11.889 8.400 113 H LEU 18 H LEU 18 20.749 14.969 3.240 114 HA LEU 18 HA LEU 18 22.994 13.400 2.431 115 HB2 LEU 18 HB2 LEU 18 20.367 14.125 1.198 116 HB3 LEU 18 HB3 LEU 18 21.606 13.320 0.238 117 HG LEU 18 HG LEU 18 20.327 12.233 2.747 118 HD11 LEU 18 HD11 LEU 18 20.070 11.132 -0.030 119 HD12 LEU 18 HD12 LEU 18 18.962 12.359 0.583 120 HD13 LEU 18 HD13 LEU 18 19.083 10.798 1.393 121 HD21 LEU 18 HD21 LEU 18 21.705 10.289 1.181 122 HD22 LEU 18 HD22 LEU 18 21.990 10.770 2.854 123 HD23 LEU 18 HD23 LEU 18 22.806 11.619 1.540 124 H THR 19 H THR 19 22.404 16.668 2.300 125 HA THR 19 HA THR 19 23.823 17.104 -0.216 126 HB THR 19 HB THR 19 23.442 19.592 0.545 127 HG1 THR 19 HG1 THR 19 22.582 18.654 2.648 128 HG21 THR 19 HG21 THR 19 21.843 19.600 -1.029 129 HG22 THR 19 HG22 THR 19 20.830 18.470 -0.130 130 HG23 THR 19 HG23 THR 19 22.137 17.866 -1.149 131 H GLY 20 H GLY 20 24.460 16.874 3.112 132 HA2 GLY 20 HA2 GLY 20 26.797 16.737 3.773 133 HA3 GLY 20 HA3 GLY 20 27.123 18.071 2.676 134 H GLY 21 H GLY 21 24.229 18.483 4.376 135 HA2 GLY 21 HA2 GLY 21 25.461 20.586 5.977 136 HA3 GLY 21 HA3 GLY 21 23.739 20.345 5.722 137 HA PRO 22 HA PRO 22 24.751 18.983 10.030 138 HB2 PRO 22 HB2 PRO 22 22.627 20.232 11.170 139 HB3 PRO 22 HB3 PRO 22 24.174 21.037 10.884 140 HG2 PRO 22 HG2 PRO 22 21.655 21.146 9.271 141 HG3 PRO 22 HG3 PRO 22 22.753 22.464 9.721 142 HD2 PRO 22 HD2 PRO 22 22.795 21.303 7.275 143 HD3 PRO 22 HD3 PRO 22 24.256 21.950 8.049 144 H GLY 23 H GLY 23 23.933 17.175 10.945 145 HA2 GLY 23 HA2 GLY 23 21.377 16.330 11.263 146 HA3 GLY 23 HA3 GLY 23 21.745 15.843 9.614 147 HA PRO 24 HA PRO 24 20.854 14.048 9.359 148 HB2 PRO 24 HB2 PRO 24 19.562 11.872 10.343 149 HB3 PRO 24 HB3 PRO 24 20.916 11.755 9.212 150 HG2 PRO 24 HG2 PRO 24 20.900 11.434 12.188 151 HG3 PRO 24 HG3 PRO 24 21.737 10.463 10.962 152 HD2 PRO 24 HD2 PRO 24 22.995 12.365 12.422 153 HD3 PRO 24 HD3 PRO 24 23.456 11.983 10.751 154 H SER 25 H SER 25 18.966 15.100 9.596 155 HA SER 25 HA SER 25 18.247 16.253 12.062 156 HB2 SER 25 HB2 SER 25 16.683 17.434 10.870 157 HB3 SER 25 HB3 SER 25 17.681 16.883 9.525 158 HG SER 25 HG SER 25 15.466 16.476 9.153 159 HA PRO 26 HA PRO 26 15.558 13.377 13.993 160 HB2 PRO 26 HB2 PRO 26 13.524 14.942 14.880 161 HB3 PRO 26 HB3 PRO 26 15.140 14.969 15.596 162 HG2 PRO 26 HG2 PRO 26 13.918 16.841 13.605 163 HG3 PRO 26 HG3 PRO 26 14.911 17.212 15.027 164 HD2 PRO 26 HD2 PRO 26 15.919 17.182 12.515 165 HD3 PRO 26 HD3 PRO 26 16.881 16.726 13.935 166 H GLN 27 H GLN 27 13.817 15.647 11.878 167 HA GLN 27 HA GLN 27 11.524 14.040 11.532 168 HB2 GLN 27 HB2 GLN 27 12.700 16.380 10.091 169 HB3 GLN 27 HB3 GLN 27 11.385 15.489 9.337 170 HG2 GLN 27 HG2 GLN 27 9.865 16.087 10.970 171 HG3 GLN 27 HG3 GLN 27 11.123 16.452 12.150 172 HE21 GLN 27 HE21 GLN 27 12.150 18.434 12.093 173 HE22 GLN 27 HE22 GLN 27 11.553 19.764 11.167 174 H CYS 28 H CYS 28 14.609 14.183 9.876 175 HA CYS 28 HA CYS 28 13.881 12.621 7.629 176 HB2 CYS 28 HB2 CYS 28 15.851 13.915 7.419 177 HB3 CYS 28 HB3 CYS 28 16.524 13.279 8.917 178 H CYS 29 H CYS 29 15.539 11.786 10.665 179 HA CYS 29 HA CYS 29 15.962 9.094 10.218 180 HB2 CYS 29 HB2 CYS 29 15.387 10.636 12.739 181 HB3 CYS 29 HB3 CYS 29 15.696 8.903 12.772 182 H GLY 30 H GLY 30 13.095 10.637 11.660 183 HA2 GLY 30 HA2 GLY 30 11.620 8.325 12.164 184 HA3 GLY 30 HA3 GLY 30 10.928 9.910 11.853 185 H GLY 31 H GLY 31 11.688 10.338 9.233 186 HA2 GLY 31 HA2 GLY 31 9.724 8.843 7.841 187 HA3 GLY 31 HA3 GLY 31 10.883 9.948 7.116 188 H VAL 32 H VAL 32 13.258 8.656 7.905 189 HA VAL 32 HA VAL 32 13.652 6.864 5.822 190 HB VAL 32 HB VAL 32 15.200 7.045 8.411 191 HG11 VAL 32 HG11 VAL 32 17.056 6.180 6.830 192 HG12 VAL 32 HG12 VAL 32 15.889 5.030 7.487 193 HG13 VAL 32 HG13 VAL 32 15.716 5.615 5.832 194 HG21 VAL 32 HG21 VAL 32 14.948 8.840 6.204 195 HG22 VAL 32 HG22 VAL 32 15.928 9.005 7.661 196 HG23 VAL 32 HG23 VAL 32 16.589 8.195 6.240 197 H LYS 33 H LYS 33 13.406 6.067 9.293 198 HA LYS 33 HA LYS 33 13.372 3.296 9.002 199 HB2 LYS 33 HB2 LYS 33 12.352 5.161 11.118 200 HB3 LYS 33 HB3 LYS 33 12.039 3.435 11.241 201 HG2 LYS 33 HG2 LYS 33 14.384 2.950 11.289 202 HG3 LYS 33 HG3 LYS 33 14.784 4.637 10.957 203 HD2 LYS 33 HD2 LYS 33 14.806 5.038 13.143 204 HD3 LYS 33 HD3 LYS 33 13.096 4.609 13.225 205 HE2 LYS 33 HE2 LYS 33 14.100 2.156 13.206 206 HE3 LYS 33 HE3 LYS 33 15.503 2.990 13.871 207 HZ1 LYS 33 HZ1 LYS 33 13.540 2.075 15.376 208 HZ2 LYS 33 HZ2 LYS 33 12.919 3.616 15.061 209 HZ3 LYS 33 HZ3 LYS 33 14.435 3.449 15.792 210 H LYS 34 H LYS 34 10.910 5.635 8.406 211 HA LYS 34 HA LYS 34 8.676 3.865 8.599 212 HB2 LYS 34 HB2 LYS 34 8.716 6.453 8.694 213 HB3 LYS 34 HB3 LYS 34 8.717 6.370 6.937 214 HG2 LYS 34 HG2 LYS 34 6.658 4.778 7.354 215 HG3 LYS 34 HG3 LYS 34 6.574 5.675 8.872 216 HD2 LYS 34 HD2 LYS 34 6.990 7.573 6.831 217 HD3 LYS 34 HD3 LYS 34 5.740 6.472 6.250 218 HE2 LYS 34 HE2 LYS 34 4.536 8.099 7.396 219 HE3 LYS 34 HE3 LYS 34 4.678 6.794 8.572 220 HZ1 LYS 34 HZ1 LYS 34 6.116 7.979 9.856 221 HZ2 LYS 34 HZ2 LYS 34 5.220 9.261 9.211 222 HZ3 LYS 34 HZ3 LYS 34 6.735 8.878 8.563 223 H LEU 35 H LEU 35 10.720 5.022 5.957 224 HA LEU 35 HA LEU 35 9.256 3.835 3.856 225 HB2 LEU 35 HB2 LEU 35 11.037 5.624 3.690 226 HB3 LEU 35 HB3 LEU 35 12.223 4.334 3.876 227 HG LEU 35 HG LEU 35 10.194 4.272 1.666 228 HD11 LEU 35 HD11 LEU 35 12.551 6.019 1.942 229 HD12 LEU 35 HD12 LEU 35 11.100 6.211 0.960 230 HD13 LEU 35 HD13 LEU 35 12.401 5.154 0.412 231 HD21 LEU 35 HD21 LEU 35 11.211 2.238 1.646 232 HD22 LEU 35 HD22 LEU 35 12.691 2.843 2.391 233 HD23 LEU 35 HD23 LEU 35 12.382 3.134 0.678 234 H LEU 36 H LEU 36 11.856 2.659 5.918 235 HA LEU 36 HA LEU 36 12.146 0.189 4.465 236 HB2 LEU 36 HB2 LEU 36 13.176 0.921 7.201 237 HB3 LEU 36 HB3 LEU 36 13.710 -0.431 6.203 238 HG LEU 36 HG LEU 36 14.043 2.442 5.369 239 HD11 LEU 36 HD11 LEU 36 16.494 1.896 6.054 240 HD12 LEU 36 HD12 LEU 36 15.733 0.731 7.137 241 HD13 LEU 36 HD13 LEU 36 15.341 2.445 7.271 242 HD21 LEU 36 HD21 LEU 36 15.268 -0.159 4.465 243 HD22 LEU 36 HD22 LEU 36 15.816 1.434 3.943 244 HD23 LEU 36 HD23 LEU 36 14.185 0.889 3.548 245 H ALA 37 H ALA 37 10.419 1.321 7.289 246 HA ALA 37 HA ALA 37 9.694 -1.282 8.236 247 HB1 ALA 37 HB1 ALA 37 8.157 -0.066 9.725 248 HB2 ALA 37 HB2 ALA 37 9.795 0.587 9.772 249 HB3 ALA 37 HB3 ALA 37 8.536 1.429 8.870 250 H ALA 38 H ALA 38 8.397 0.968 5.933 251 HA ALA 38 HA ALA 38 5.801 -0.310 5.823 252 HB1 ALA 38 HB1 ALA 38 6.035 2.113 5.466 253 HB2 ALA 38 HB2 ALA 38 6.976 1.793 4.009 254 HB3 ALA 38 HB3 ALA 38 5.285 1.302 4.092 255 H ALA 39 H ALA 39 8.790 -1.129 4.717 256 HA ALA 39 HA ALA 39 7.657 -2.620 2.441 257 HB1 ALA 39 HB1 ALA 39 9.119 -0.847 1.627 258 HB2 ALA 39 HB2 ALA 39 10.433 -1.457 2.633 259 HB3 ALA 39 HB3 ALA 39 9.813 -2.436 1.304 260 H ASN 40 H ASN 40 7.277 -4.432 3.765 261 HA ASN 40 HA ASN 40 9.509 -5.648 5.165 262 HB2 ASN 40 HB2 ASN 40 7.777 -7.427 5.699 263 HB3 ASN 40 HB3 ASN 40 7.431 -5.812 6.309 264 HD21 ASN 40 HD21 ASN 40 5.908 -4.510 5.130 265 HD22 ASN 40 HD22 ASN 40 4.644 -5.274 4.233 266 H THR 41 H THR 41 7.518 -6.252 2.316 267 HA THR 41 HA THR 41 8.937 -8.704 1.696 268 HB THR 41 HB THR 41 7.459 -8.927 -0.189 269 HG1 THR 41 HG1 THR 41 6.118 -7.260 -0.845 270 HG21 THR 41 HG21 THR 41 5.383 -7.878 1.543 271 HG22 THR 41 HG22 THR 41 6.594 -8.786 2.449 272 HG23 THR 41 HG23 THR 41 5.745 -9.547 1.104 273 H THR 42 H THR 42 9.257 -8.729 -0.959 274 HA THR 42 HA THR 42 11.543 -7.005 -1.327 275 HB THR 42 HB THR 42 10.549 -8.710 -3.556 276 HG1 THR 42 HG1 THR 42 11.589 -10.530 -2.436 277 HG21 THR 42 HG21 THR 42 12.590 -7.740 -4.060 278 HG22 THR 42 HG22 THR 42 13.087 -9.304 -3.416 279 HG23 THR 42 HG23 THR 42 13.176 -7.864 -2.402 280 HA PRO 43 HA PRO 43 8.549 -5.779 -5.133 281 HB2 PRO 43 HB2 PRO 43 6.099 -5.933 -3.438 282 HB3 PRO 43 HB3 PRO 43 6.294 -6.251 -5.165 283 HG2 PRO 43 HG2 PRO 43 6.063 -8.249 -3.395 284 HG3 PRO 43 HG3 PRO 43 7.113 -8.383 -4.818 285 HD2 PRO 43 HD2 PRO 43 7.820 -8.020 -1.973 286 HD3 PRO 43 HD3 PRO 43 8.726 -8.806 -3.281 287 H ASP 44 H ASP 44 7.651 -5.050 -1.764 288 HA ASP 44 HA ASP 44 7.008 -2.339 -2.209 289 HB2 ASP 44 HB2 ASP 44 7.553 -4.039 0.171 290 HB3 ASP 44 HB3 ASP 44 7.660 -2.294 0.384 291 H ARG 45 H ARG 45 9.998 -3.938 -1.190 292 HA ARG 45 HA ARG 45 11.485 -1.590 -0.715 293 HB2 ARG 45 HB2 ARG 45 12.312 -4.408 -1.404 294 HB3 ARG 45 HB3 ARG 45 13.476 -3.133 -1.066 295 HG2 ARG 45 HG2 ARG 45 12.528 -2.849 1.164 296 HG3 ARG 45 HG3 ARG 45 11.350 -4.118 0.825 297 HD2 ARG 45 HD2 ARG 45 13.562 -5.472 0.245 298 HD3 ARG 45 HD3 ARG 45 14.260 -4.313 1.376 299 HE ARG 45 HE ARG 45 12.478 -6.487 1.994 300 HH11 ARG 45 HH11 ARG 45 13.719 -3.404 3.029 301 HH12 ARG 45 HH12 ARG 45 13.371 -3.679 4.704 302 HH21 ARG 45 HH21 ARG 45 12.014 -6.861 4.195 303 HH22 ARG 45 HH22 ARG 45 12.402 -5.647 5.366 304 H GLN 46 H GLN 46 10.985 -3.547 -3.606 305 HA GLN 46 HA GLN 46 12.908 -2.393 -5.262 306 HB2 GLN 46 HB2 GLN 46 10.190 -3.322 -6.182 307 HB3 GLN 46 HB3 GLN 46 11.687 -3.300 -7.104 308 HG2 GLN 46 HG2 GLN 46 12.320 -4.870 -4.943 309 HG3 GLN 46 HG3 GLN 46 10.644 -5.304 -5.277 310 HE21 GLN 46 HE21 GLN 46 10.564 -5.021 -8.007 311 HE22 GLN 46 HE22 GLN 46 11.590 -6.202 -8.740 312 H ALA 47 H ALA 47 9.471 -1.524 -4.901 313 HA ALA 47 HA ALA 47 9.407 0.615 -6.667 314 HB1 ALA 47 HB1 ALA 47 7.804 -0.203 -4.314 315 HB2 ALA 47 HB2 ALA 47 7.614 1.454 -4.888 316 HB3 ALA 47 HB3 ALA 47 7.305 0.103 -5.978 317 H ALA 48 H ALA 48 9.723 0.864 -3.118 318 HA ALA 48 HA ALA 48 10.279 3.560 -2.956 319 HB1 ALA 48 HB1 ALA 48 11.002 3.187 -0.773 320 HB2 ALA 48 HB2 ALA 48 9.901 1.844 -1.083 321 HB3 ALA 48 HB3 ALA 48 11.645 1.590 -1.157 322 H CYS 49 H CYS 49 12.659 0.908 -3.122 323 HA CYS 49 HA CYS 49 14.989 2.345 -3.105 324 HB2 CYS 49 HB2 CYS 49 14.198 -0.197 -4.485 325 HB3 CYS 49 HB3 CYS 49 15.800 0.481 -4.756 326 H ASN 50 H ASN 50 12.872 1.726 -5.874 327 HA ASN 50 HA ASN 50 14.491 2.890 -7.848 328 HB2 ASN 50 HB2 ASN 50 11.471 2.711 -7.737 329 HB3 ASN 50 HB3 ASN 50 12.422 3.053 -9.180 330 HD21 ASN 50 HD21 ASN 50 10.570 0.862 -8.586 331 HD22 ASN 50 HD22 ASN 50 11.473 -0.592 -8.820 332 H CYS 51 H CYS 51 11.922 4.280 -5.832 333 HA CYS 51 HA CYS 51 12.064 6.876 -6.968 334 HB2 CYS 51 HB2 CYS 51 10.935 5.823 -4.377 335 HB3 CYS 51 HB3 CYS 51 10.862 7.529 -4.807 336 H LEU 52 H LEU 52 13.765 5.270 -4.371 337 HA LEU 52 HA LEU 52 14.906 7.627 -3.241 338 HB2 LEU 52 HB2 LEU 52 15.284 4.701 -2.946 339 HB3 LEU 52 HB3 LEU 52 16.609 5.743 -2.431 340 HG LEU 52 HG LEU 52 13.779 5.911 -1.396 341 HD11 LEU 52 HD11 LEU 52 14.726 3.846 -0.657 342 HD12 LEU 52 HD12 LEU 52 14.789 4.986 0.687 343 HD13 LEU 52 HD13 LEU 52 16.248 4.633 -0.237 344 HD21 LEU 52 HD21 LEU 52 15.879 7.061 0.226 345 HD22 LEU 52 HD22 LEU 52 14.373 7.780 -0.346 346 HD23 LEU 52 HD23 LEU 52 15.809 7.807 -1.371 347 H LYS 53 H LYS 53 16.278 5.037 -5.273 348 HA LYS 53 HA LYS 53 18.804 6.065 -5.655 349 HB2 LYS 53 HB2 LYS 53 17.594 3.873 -6.540 350 HB3 LYS 53 HB3 LYS 53 17.429 4.838 -8.001 351 HG2 LYS 53 HG2 LYS 53 19.537 4.461 -8.564 352 HG3 LYS 53 HG3 LYS 53 20.113 5.008 -6.988 353 HD2 LYS 53 HD2 LYS 53 20.841 2.781 -7.159 354 HD3 LYS 53 HD3 LYS 53 19.413 2.711 -6.124 355 HE2 LYS 53 HE2 LYS 53 18.966 0.986 -7.562 356 HE3 LYS 53 HE3 LYS 53 18.176 2.316 -8.408 357 HZ1 LYS 53 HZ1 LYS 53 19.452 1.112 -9.982 358 HZ2 LYS 53 HZ2 LYS 53 20.830 1.135 -9.002 359 HZ3 LYS 53 HZ3 LYS 53 20.270 2.568 -9.705 360 H SER 54 H SER 54 15.832 6.853 -7.400 361 HA SER 54 HA SER 54 17.110 8.604 -9.260 362 HB2 SER 54 HB2 SER 54 15.081 7.726 -10.040 363 HB3 SER 54 HB3 SER 54 14.249 8.046 -8.518 364 HG SER 54 HG SER 54 13.889 10.048 -9.122 365 H ALA 55 H ALA 55 15.730 8.948 -6.085 366 HA ALA 55 HA ALA 55 15.415 11.767 -6.103 367 HB1 ALA 55 HB1 ALA 55 14.224 10.487 -4.479 368 HB2 ALA 55 HB2 ALA 55 15.719 9.807 -3.836 369 HB3 ALA 55 HB3 ALA 55 15.364 11.521 -3.617 370 H ALA 56 H ALA 56 17.938 9.701 -4.654 371 HA ALA 56 HA ALA 56 19.614 11.839 -3.885 372 HB1 ALA 56 HB1 ALA 56 20.049 8.896 -4.246 373 HB2 ALA 56 HB2 ALA 56 21.385 9.974 -3.840 374 HB3 ALA 56 HB3 ALA 56 20.000 9.839 -2.757 375 H GLY 57 H GLY 57 19.043 10.337 -6.918 376 HA2 GLY 57 HA2 GLY 57 21.507 10.695 -8.200 377 HA3 GLY 57 HA3 GLY 57 19.944 10.668 -9.002 378 H SER 58 H SER 58 19.230 13.026 -7.143 379 HA SER 58 HA SER 58 20.324 15.067 -8.941 380 HB2 SER 58 HB2 SER 58 17.851 14.884 -8.731 381 HB3 SER 58 HB3 SER 58 17.993 15.276 -7.018 382 HG SER 58 HG SER 58 17.688 17.220 -7.864 383 H ILE 59 H ILE 59 21.661 13.841 -6.527 384 HA ILE 59 HA ILE 59 21.919 16.180 -4.788 385 HB ILE 59 HB ILE 59 23.074 13.405 -4.484 386 HG12 ILE 59 HG12 ILE 59 20.604 13.528 -4.272 387 HG13 ILE 59 HG13 ILE 59 21.391 13.090 -2.760 388 HG21 ILE 59 HG21 ILE 59 23.127 15.799 -2.657 389 HG22 ILE 59 HG22 ILE 59 23.536 14.162 -2.150 390 HG23 ILE 59 HG23 ILE 59 24.504 14.970 -3.382 391 HD11 ILE 59 HD11 ILE 59 20.374 14.762 -1.743 392 HD12 ILE 59 HD12 ILE 59 21.132 15.914 -2.843 393 HD13 ILE 59 HD13 ILE 59 19.577 15.192 -3.256 394 H THR 60 H THR 60 23.457 17.613 -5.179 395 HA THR 60 HA THR 60 25.471 17.284 -7.116 396 HB THR 60 HB THR 60 24.761 19.505 -6.615 397 HG1 THR 60 HG1 THR 60 27.316 19.440 -5.411 398 HG21 THR 60 HG21 THR 60 24.864 18.599 -3.907 399 HG22 THR 60 HG22 THR 60 24.160 20.083 -4.550 400 HG23 THR 60 HG23 THR 60 25.855 20.049 -4.064 401 H LYS 61 H LYS 61 27.123 15.921 -6.954 402 HA LYS 61 HA LYS 61 28.920 14.781 -6.149 403 HB2 LYS 61 HB2 LYS 61 28.971 17.307 -4.546 404 HB3 LYS 61 HB3 LYS 61 30.089 16.012 -4.140 405 HG2 LYS 61 HG2 LYS 61 30.867 16.047 -6.512 406 HG3 LYS 61 HG3 LYS 61 29.869 17.482 -6.756 407 HD2 LYS 61 HD2 LYS 61 32.074 18.244 -6.304 408 HD3 LYS 61 HD3 LYS 61 31.122 18.545 -4.848 409 HE2 LYS 61 HE2 LYS 61 32.348 17.127 -3.618 410 HE3 LYS 61 HE3 LYS 61 32.404 15.918 -4.899 411 HZ1 LYS 61 HZ1 LYS 61 34.548 17.185 -4.126 412 HZ2 LYS 61 HZ2 LYS 61 34.002 18.349 -5.226 413 HZ3 LYS 61 HZ3 LYS 61 34.317 16.772 -5.751 414 H LEU 62 H LEU 62 26.809 13.496 -5.407 415 HA LEU 62 HA LEU 62 26.050 13.281 -2.768 416 HB2 LEU 62 HB2 LEU 62 24.890 12.083 -4.483 417 HB3 LEU 62 HB3 LEU 62 26.331 11.146 -4.872 418 HG LEU 62 HG LEU 62 26.029 10.387 -2.333 419 HD11 LEU 62 HD11 LEU 62 23.833 11.937 -2.535 420 HD12 LEU 62 HD12 LEU 62 23.962 10.544 -1.461 421 HD13 LEU 62 HD13 LEU 62 23.170 10.378 -3.028 422 HD21 LEU 62 HD21 LEU 62 24.246 8.715 -3.644 423 HD22 LEU 62 HD22 LEU 62 25.997 8.521 -3.546 424 HD23 LEU 62 HD23 LEU 62 25.276 9.349 -4.928 425 H ASN 63 H ASN 63 26.810 12.276 -0.962 426 HA ASN 63 HA ASN 63 29.562 11.249 -1.116 427 HB2 ASN 63 HB2 ASN 63 28.797 13.304 0.370 428 HB3 ASN 63 HB3 ASN 63 28.310 12.028 1.482 429 HD21 ASN 63 HD21 ASN 63 30.636 14.123 1.043 430 HD22 ASN 63 HD22 ASN 63 32.015 13.229 1.575 431 H THR 64 H THR 64 29.445 9.093 -1.336 432 HA THR 64 HA THR 64 27.434 7.394 -0.486 433 HB THR 64 HB THR 64 29.238 5.590 -0.510 434 HG1 THR 64 HG1 THR 64 31.026 6.937 -0.051 435 HG21 THR 64 HG21 THR 64 28.041 7.082 -2.610 436 HG22 THR 64 HG22 THR 64 28.576 5.401 -2.628 437 HG23 THR 64 HG23 THR 64 29.688 6.686 -3.097 438 H ASN 65 H ASN 65 30.230 8.597 1.273 439 HA ASN 65 HA ASN 65 30.029 6.859 3.495 440 HB2 ASN 65 HB2 ASN 65 31.294 9.570 3.116 441 HB3 ASN 65 HB3 ASN 65 31.348 8.722 4.658 442 HD21 ASN 65 HD21 ASN 65 33.695 8.984 4.147 443 HD22 ASN 65 HD22 ASN 65 34.454 7.715 3.253 444 H ASN 66 H ASN 66 28.720 10.087 2.849 445 HA ASN 66 HA ASN 66 27.533 10.425 5.404 446 HB2 ASN 66 HB2 ASN 66 26.804 11.730 2.771 447 HB3 ASN 66 HB3 ASN 66 26.315 12.289 4.368 448 HD21 ASN 66 HD21 ASN 66 27.541 14.063 2.841 449 HD22 ASN 66 HD22 ASN 66 29.166 14.336 3.360 450 H ALA 67 H ALA 67 26.348 9.186 2.315 451 HA ALA 67 HA ALA 67 23.639 8.959 2.948 452 HB1 ALA 67 HB1 ALA 67 23.958 8.580 0.732 453 HB2 ALA 67 HB2 ALA 67 25.455 7.683 0.985 454 HB3 ALA 67 HB3 ALA 67 23.901 6.904 1.278 455 H ALA 68 H ALA 68 26.336 6.768 3.579 456 HA ALA 68 HA ALA 68 24.682 4.686 4.652 457 HB1 ALA 68 HB1 ALA 68 27.067 3.985 5.566 458 HB2 ALA 68 HB2 ALA 68 26.619 3.772 3.874 459 HB3 ALA 68 HB3 ALA 68 27.599 5.155 4.358 460 H ALA 69 H ALA 69 26.293 7.498 5.913 461 HA ALA 69 HA ALA 69 26.233 6.708 8.659 462 HB1 ALA 69 HB1 ALA 69 26.518 9.443 7.421 463 HB2 ALA 69 HB2 ALA 69 26.788 9.055 9.121 464 HB3 ALA 69 HB3 ALA 69 27.831 8.359 7.881 465 H LEU 70 H LEU 70 23.964 8.141 6.475 466 HA LEU 70 HA LEU 70 22.276 9.485 8.239 467 HB2 LEU 70 HB2 LEU 70 21.729 9.893 6.062 468 HB3 LEU 70 HB3 LEU 70 21.969 8.216 5.574 469 HG LEU 70 HG LEU 70 19.817 7.612 6.553 470 HD11 LEU 70 HD11 LEU 70 19.355 10.536 7.072 471 HD12 LEU 70 HD12 LEU 70 19.919 9.422 8.317 472 HD13 LEU 70 HD13 LEU 70 18.352 9.167 7.550 473 HD21 LEU 70 HD21 LEU 70 20.179 8.736 4.194 474 HD22 LEU 70 HD22 LEU 70 19.181 10.005 4.904 475 HD23 LEU 70 HD23 LEU 70 18.565 8.355 4.792 476 HA PRO 71 HA PRO 71 19.773 5.379 8.733 477 HB2 PRO 71 HB2 PRO 71 20.939 3.100 7.829 478 HB3 PRO 71 HB3 PRO 71 19.898 4.112 6.821 479 HG2 PRO 71 HG2 PRO 71 22.887 3.994 6.938 480 HG3 PRO 71 HG3 PRO 71 21.826 4.090 5.521 481 HD2 PRO 71 HD2 PRO 71 23.114 6.249 6.526 482 HD3 PRO 71 HD3 PRO 71 21.524 6.364 5.745 483 H GLY 72 H GLY 72 23.299 4.937 8.840 484 HA2 GLY 72 HA2 GLY 72 23.324 3.186 11.061 485 HA3 GLY 72 HA3 GLY 72 24.684 4.142 10.490 486 H LYS 73 H LYS 73 23.418 6.699 10.810 487 HA LYS 73 HA LYS 73 23.964 7.093 13.599 488 HB2 LYS 73 HB2 LYS 73 23.125 8.938 11.369 489 HB3 LYS 73 HB3 LYS 73 23.304 9.497 13.027 490 HG2 LYS 73 HG2 LYS 73 25.638 8.035 12.268 491 HG3 LYS 73 HG3 LYS 73 25.287 9.262 11.049 492 HD2 LYS 73 HD2 LYS 73 24.934 10.786 13.169 493 HD3 LYS 73 HD3 LYS 73 25.973 9.581 13.933 494 HE2 LYS 73 HE2 LYS 73 27.665 9.954 12.199 495 HE3 LYS 73 HE3 LYS 73 26.626 11.164 11.448 496 HZ1 LYS 73 HZ1 LYS 73 27.522 12.663 12.784 497 HZ2 LYS 73 HZ2 LYS 73 28.443 11.484 13.574 498 HZ3 LYS 73 HZ3 LYS 73 26.888 11.853 14.128 499 H CYS 74 H CYS 74 21.123 6.799 11.608 500 HA CYS 74 HA CYS 74 19.335 7.792 13.653 501 HB2 CYS 74 HB2 CYS 74 18.875 6.531 10.949 502 HB3 CYS 74 HB3 CYS 74 17.560 6.987 12.028 503 H GLY 75 H GLY 75 21.063 5.059 13.436 504 HA2 GLY 75 HA2 GLY 75 20.932 3.076 14.598 505 HA3 GLY 75 HA3 GLY 75 19.446 3.666 15.327 506 H VAL 76 H VAL 76 19.563 3.665 11.900 507 HA VAL 76 HA VAL 76 18.078 1.124 11.804 508 HB VAL 76 HB VAL 76 16.393 2.806 11.652 509 HG11 VAL 76 HG11 VAL 76 18.441 4.238 10.151 510 HG12 VAL 76 HG12 VAL 76 16.839 4.337 9.417 511 HG13 VAL 76 HG13 VAL 76 17.080 4.856 11.086 512 HG21 VAL 76 HG21 VAL 76 16.892 2.109 8.779 513 HG22 VAL 76 HG22 VAL 76 16.466 0.870 9.959 514 HG23 VAL 76 HG23 VAL 76 15.360 2.207 9.647 515 H ASN 77 H ASN 77 19.991 0.113 11.050 516 HA ASN 77 HA ASN 77 21.135 1.033 8.540 517 HB2 ASN 77 HB2 ASN 77 22.642 -0.999 8.887 518 HB3 ASN 77 HB3 ASN 77 22.770 0.288 10.082 519 HD21 ASN 77 HD21 ASN 77 22.255 -0.115 12.168 520 HD22 ASN 77 HD22 ASN 77 21.781 -1.666 12.764 521 H ILE 78 H ILE 78 21.062 -0.083 6.608 522 HA ILE 78 HA ILE 78 19.017 -2.198 6.459 523 HB ILE 78 HB ILE 78 18.915 -1.530 3.997 524 HG12 ILE 78 HG12 ILE 78 21.096 -0.091 4.416 525 HG13 ILE 78 HG13 ILE 78 19.882 0.420 3.248 526 HG21 ILE 78 HG21 ILE 78 17.934 0.159 6.267 527 HG22 ILE 78 HG22 ILE 78 17.532 0.564 4.599 528 HG23 ILE 78 HG23 ILE 78 17.046 -0.993 5.269 529 HD11 ILE 78 HD11 ILE 78 20.866 2.100 4.987 530 HD12 ILE 78 HD12 ILE 78 19.156 2.148 4.558 531 HD13 ILE 78 HD13 ILE 78 19.668 1.373 6.057 532 HA PRO 79 HA PRO 79 21.942 -5.089 4.924 533 HB2 PRO 79 HB2 PRO 79 20.442 -6.488 3.145 534 HB3 PRO 79 HB3 PRO 79 20.237 -6.629 4.896 535 HG2 PRO 79 HG2 PRO 79 18.650 -5.030 2.925 536 HG3 PRO 79 HG3 PRO 79 18.079 -6.017 4.282 537 HD2 PRO 79 HD2 PRO 79 18.278 -3.321 4.426 538 HD3 PRO 79 HD3 PRO 79 18.532 -4.373 5.833 539 H TYR 80 H TYR 80 20.590 -2.716 2.912 540 HA TYR 80 HA TYR 80 22.579 -3.307 0.821 541 HB2 TYR 80 HB2 TYR 80 20.945 -2.116 -0.745 542 HB3 TYR 80 HB3 TYR 80 20.507 -3.739 -0.224 543 HD1 TYR 80 HD2 TYR 80 19.905 -0.146 0.533 544 HD2 TYR 80 HD1 TYR 80 18.438 -4.132 0.788 545 HE1 TYR 80 HE2 TYR 80 17.748 0.707 1.351 546 HE2 TYR 80 HE1 TYR 80 16.277 -3.290 1.606 547 HH TYR 80 HH TYR 80 15.464 0.057 1.539 548 H LYS 81 H LYS 81 23.056 -1.292 -0.523 549 HA LYS 81 HA LYS 81 23.494 0.938 1.335 550 HB2 LYS 81 HB2 LYS 81 24.924 0.012 -1.142 551 HB3 LYS 81 HB3 LYS 81 25.150 1.642 -0.523 552 HG2 LYS 81 HG2 LYS 81 25.961 0.760 1.583 553 HG3 LYS 81 HG3 LYS 81 25.670 -0.889 1.024 554 HD2 LYS 81 HD2 LYS 81 27.990 -0.463 0.737 555 HD3 LYS 81 HD3 LYS 81 27.260 -0.411 -0.869 556 HE2 LYS 81 HE2 LYS 81 27.233 2.188 0.406 557 HE3 LYS 81 HE3 LYS 81 28.867 1.533 0.304 558 HZ1 LYS 81 HZ1 LYS 81 28.822 1.527 -1.971 559 HZ2 LYS 81 HZ2 LYS 81 27.873 2.892 -1.658 560 HZ3 LYS 81 HZ3 LYS 81 27.135 1.425 -2.066 561 H ILE 82 H ILE 82 23.760 3.108 -0.009 562 HA ILE 82 HA ILE 82 21.458 3.341 -1.831 563 HB ILE 82 HB ILE 82 22.208 5.304 0.339 564 HG12 ILE 82 HG12 ILE 82 19.708 4.669 0.943 565 HG13 ILE 82 HG13 ILE 82 20.117 3.184 0.091 566 HG21 ILE 82 HG21 ILE 82 21.174 6.829 -0.899 567 HG22 ILE 82 HG22 ILE 82 20.730 5.620 -2.104 568 HG23 ILE 82 HG23 ILE 82 19.685 5.902 -0.711 569 HD11 ILE 82 HD11 ILE 82 22.251 3.485 1.757 570 HD12 ILE 82 HD12 ILE 82 20.924 4.119 2.730 571 HD13 ILE 82 HD13 ILE 82 20.836 2.483 2.078 572 H SER 83 H SER 83 22.212 3.891 -3.761 573 HA SER 83 HA SER 83 23.622 6.280 -4.230 574 HB2 SER 83 HB2 SER 83 25.770 5.408 -5.009 575 HB3 SER 83 HB3 SER 83 25.523 4.988 -3.314 576 HG SER 83 HG SER 83 25.958 3.046 -4.006 577 H THR 84 H THR 84 24.794 5.887 -6.627 578 HA THR 84 HA THR 84 22.523 5.349 -8.319 579 HB THR 84 HB THR 84 23.943 6.105 -10.163 580 HG1 THR 84 HG1 THR 84 26.063 6.187 -9.972 581 HG21 THR 84 HG21 THR 84 23.772 7.716 -7.656 582 HG22 THR 84 HG22 THR 84 22.963 7.955 -9.205 583 HG23 THR 84 HG23 THR 84 24.670 8.363 -9.028 584 H THR 85 H THR 85 24.702 3.366 -6.921 585 HA THR 85 HA THR 85 24.613 1.461 -9.170 586 HB THR 85 HB THR 85 26.729 0.499 -8.400 587 HG1 THR 85 HG1 THR 85 27.918 1.709 -6.787 588 HG21 THR 85 HG21 THR 85 27.156 3.462 -8.681 589 HG22 THR 85 HG22 THR 85 26.603 2.468 -10.029 590 HG23 THR 85 HG23 THR 85 28.163 2.143 -9.276 591 H THR 86 H THR 86 22.720 1.837 -6.970 592 HA THR 86 HA THR 86 23.151 -0.506 -5.284 593 HB THR 86 HB THR 86 21.019 1.634 -5.242 594 HG1 THR 86 HG1 THR 86 22.132 1.750 -3.022 595 HG21 THR 86 HG21 THR 86 20.487 0.481 -2.984 596 HG22 THR 86 HG22 THR 86 21.265 -0.928 -3.704 597 HG23 THR 86 HG23 THR 86 19.842 -0.220 -4.468 598 H ASN 87 H ASN 87 21.886 -2.326 -5.316 599 HA ASN 87 HA ASN 87 19.770 -2.479 -7.347 600 HB2 ASN 87 HB2 ASN 87 22.123 -3.496 -7.974 601 HB3 ASN 87 HB3 ASN 87 21.580 -4.829 -6.959 602 HD21 ASN 87 HD21 ASN 87 22.092 -5.295 -9.562 603 HD22 ASN 87 HD22 ASN 87 20.623 -5.572 -10.428 604 H CYS 88 H CYS 88 18.130 -2.508 -5.854 605 HA CYS 88 HA CYS 88 18.190 -4.211 -3.546 606 HB2 CYS 88 HB2 CYS 88 15.908 -2.672 -4.804 607 HB3 CYS 88 HB3 CYS 88 15.847 -3.472 -3.237 608 H ASN 89 H ASN 89 17.189 -4.528 -6.831 609 HA ASN 89 HA ASN 89 15.264 -6.553 -6.590 610 HB2 ASN 89 HB2 ASN 89 17.226 -6.058 -8.840 611 HB3 ASN 89 HB3 ASN 89 15.787 -7.067 -8.948 612 HD21 ASN 89 HD21 ASN 89 16.993 -3.813 -8.647 613 HD22 ASN 89 HD22 ASN 89 15.530 -3.017 -9.105 614 H THR 90 H THR 90 18.675 -6.609 -6.188 615 HA THR 90 HA THR 90 18.819 -9.514 -6.467 616 HB THR 90 HB THR 90 21.306 -8.904 -5.708 617 HG1 THR 90 HG1 THR 90 20.461 -6.542 -7.055 618 HG21 THR 90 HG21 THR 90 20.106 -8.531 -8.451 619 HG22 THR 90 HG22 THR 90 20.838 -9.992 -7.785 620 HG23 THR 90 HG23 THR 90 21.841 -8.586 -8.141 621 H VAL 91 H VAL 91 17.479 -7.902 -4.222 622 HA VAL 91 HA VAL 91 19.011 -8.838 -1.916 623 HB VAL 91 HB VAL 91 16.492 -7.173 -2.030 624 HG11 VAL 91 HG11 VAL 91 17.862 -6.895 0.428 625 HG12 VAL 91 HG12 VAL 91 16.258 -7.571 0.141 626 HG13 VAL 91 HG13 VAL 91 17.676 -8.621 0.119 627 HG21 VAL 91 HG21 VAL 91 17.871 -5.288 -1.531 628 HG22 VAL 91 HG22 VAL 91 19.293 -6.311 -1.326 629 HG23 VAL 91 HG23 VAL 91 18.575 -6.109 -2.925 630 H LYS 92 H LYS 92 18.478 -10.579 -0.753 631 HA LYS 92 HA LYS 92 16.094 -12.082 -1.545 632 HB2 LYS 92 HB2 LYS 92 18.710 -12.789 -0.298 633 HB3 LYS 92 HB3 LYS 92 17.320 -13.806 0.061 634 HG2 LYS 92 HG2 LYS 92 17.061 -13.734 -2.576 635 HG3 LYS 92 HG3 LYS 92 18.798 -13.433 -2.479 636 HD2 LYS 92 HD2 LYS 92 18.850 -15.460 -0.897 637 HD3 LYS 92 HD3 LYS 92 17.243 -15.820 -1.533 638 HE2 LYS 92 HE2 LYS 92 18.645 -15.361 -3.820 639 HE3 LYS 92 HE3 LYS 92 19.881 -16.085 -2.793 640 HZ1 LYS 92 HZ1 LYS 92 17.282 -17.400 -2.843 641 HZ2 LYS 92 HZ2 LYS 92 18.833 -18.070 -2.772 642 HZ3 LYS 92 HZ3 LYS 92 18.216 -17.521 -4.248 643 H PHE 93 H PHE 93 14.373 -11.357 -0.421 644 HA PHE 93 HA PHE 93 13.009 -10.834 1.325 645 HB2 PHE 93 HB2 PHE 93 14.703 -13.072 2.309 646 HB3 PHE 93 HB3 PHE 93 13.726 -12.217 3.499 647 HD1 PHE 93 HD1 PHE 93 11.211 -11.816 2.705 648 HD2 PHE 93 HD2 PHE 93 13.778 -14.908 1.304 649 HE1 PHE 93 HE1 PHE 93 9.247 -13.144 2.047 650 HE2 PHE 93 HE2 PHE 93 11.818 -16.240 0.643 651 HZ PHE 93 HZ PHE 93 9.549 -15.358 1.013 Start of MODEL 4 1 H1 ALA 1 H ALA 1 1.681 1.579 1.780 2 HA ALA 1 HA ALA 1 2.694 -0.333 0.006 3 HB1 ALA 1 HB1 ALA 1 1.399 -0.085 -1.956 4 HB2 ALA 1 HB2 ALA 1 0.256 -0.397 -0.649 5 HB3 ALA 1 HB3 ALA 1 0.468 1.243 -1.262 6 H ILE 2 H ILE 2 4.508 0.554 -0.716 7 HA ILE 2 HA ILE 2 4.890 3.413 -0.580 8 HB ILE 2 HB ILE 2 6.798 1.270 -1.523 9 HG12 ILE 2 HG12 ILE 2 7.801 1.967 0.833 10 HG13 ILE 2 HG13 ILE 2 6.122 2.377 1.166 11 HG21 ILE 2 HG21 ILE 2 8.333 3.312 -0.626 12 HG22 ILE 2 HG22 ILE 2 7.890 3.068 -2.314 13 HG23 ILE 2 HG23 ILE 2 6.971 4.194 -1.316 14 HD11 ILE 2 HD11 ILE 2 6.969 0.044 1.797 15 HD12 ILE 2 HD12 ILE 2 5.420 0.175 0.963 16 HD13 ILE 2 HD13 ILE 2 6.864 -0.305 0.071 17 H SER 3 H SER 3 5.402 4.782 -2.292 18 HA SER 3 HA SER 3 5.155 3.736 -5.010 19 HB2 SER 3 HB2 SER 3 2.885 4.376 -4.516 20 HB3 SER 3 HB3 SER 3 3.413 5.925 -3.858 21 HG SER 3 HG SER 3 3.162 6.637 -5.812 22 H CYS 4 H CYS 4 5.140 6.983 -3.547 23 HA CYS 4 HA CYS 4 7.832 7.580 -4.091 24 HB2 CYS 4 HB2 CYS 4 6.386 7.514 -6.423 25 HB3 CYS 4 HB3 CYS 4 6.300 9.217 -5.987 26 H GLY 5 H GLY 5 4.539 8.830 -3.845 27 HA2 GLY 5 HA2 GLY 5 5.107 11.451 -3.077 28 HA3 GLY 5 HA3 GLY 5 3.663 10.560 -2.619 29 H ALA 6 H ALA 6 5.110 8.493 -1.182 30 HA ALA 6 HA ALA 6 5.436 9.925 1.315 31 HB1 ALA 6 HB1 ALA 6 5.739 7.562 2.220 32 HB2 ALA 6 HB2 ALA 6 4.167 7.962 1.526 33 HB3 ALA 6 HB3 ALA 6 5.325 7.011 0.596 34 H VAL 7 H VAL 7 7.429 8.452 -1.102 35 HA VAL 7 HA VAL 7 9.759 8.138 0.531 36 HB VAL 7 HB VAL 7 9.681 8.342 -2.478 37 HG11 VAL 7 HG11 VAL 7 11.549 6.463 -1.356 38 HG12 VAL 7 HG12 VAL 7 11.847 7.847 -2.409 39 HG13 VAL 7 HG13 VAL 7 11.789 8.065 -0.660 40 HG21 VAL 7 HG21 VAL 7 9.308 5.884 -0.768 41 HG22 VAL 7 HG22 VAL 7 8.046 6.682 -1.706 42 HG23 VAL 7 HG23 VAL 7 9.408 5.923 -2.529 43 H THR 8 H THR 8 8.621 10.572 -1.773 44 HA THR 8 HA THR 8 10.960 12.178 -1.668 45 HB THR 8 HB THR 8 8.264 13.328 -2.300 46 HG1 THR 8 HG1 THR 8 9.699 11.376 -3.762 47 HG21 THR 8 HG21 THR 8 10.154 13.965 -4.251 48 HG22 THR 8 HG22 THR 8 11.038 14.022 -2.726 49 HG23 THR 8 HG23 THR 8 9.590 15.004 -2.944 50 H SER 9 H SER 9 8.213 11.840 0.389 51 HA SER 9 HA SER 9 8.213 14.379 1.610 52 HB2 SER 9 HB2 SER 9 6.530 12.336 1.764 53 HB3 SER 9 HB3 SER 9 7.485 11.954 3.197 54 HG SER 9 HG SER 9 6.200 14.432 2.673 55 H ASP 10 H ASP 10 9.712 11.315 2.630 56 HA ASP 10 HA ASP 10 11.073 12.528 4.840 57 HB2 ASP 10 HB2 ASP 10 11.877 9.894 3.646 58 HB3 ASP 10 HB3 ASP 10 11.882 10.396 5.335 59 H LEU 11 H LEU 11 11.709 12.180 1.492 60 HA LEU 11 HA LEU 11 14.550 12.249 1.588 61 HB2 LEU 11 HB2 LEU 11 12.497 12.752 -0.528 62 HB3 LEU 11 HB3 LEU 11 14.191 13.134 -0.828 63 HG LEU 11 HG LEU 11 13.323 10.393 0.041 64 HD11 LEU 11 HD11 LEU 11 13.643 9.965 -2.525 65 HD12 LEU 11 HD12 LEU 11 13.162 11.656 -2.651 66 HD13 LEU 11 HD13 LEU 11 12.085 10.489 -1.884 67 HD21 LEU 11 HD21 LEU 11 15.453 9.792 -0.321 68 HD22 LEU 11 HD22 LEU 11 15.792 11.517 -0.177 69 HD23 LEU 11 HD23 LEU 11 15.593 10.788 -1.771 70 H SER 12 H SER 12 12.036 14.698 1.479 71 HA SER 12 HA SER 12 13.523 16.938 0.809 72 HB2 SER 12 HB2 SER 12 11.295 17.465 0.938 73 HB3 SER 12 HB3 SER 12 11.032 16.464 2.366 74 HG SER 12 HG SER 12 10.903 18.603 2.982 75 HA PRO 13 HA PRO 13 14.511 17.602 5.495 76 HB2 PRO 13 HB2 PRO 13 13.993 15.534 7.176 77 HB3 PRO 13 HB3 PRO 13 12.808 16.794 6.809 78 HG2 PRO 13 HG2 PRO 13 13.058 14.038 5.666 79 HG3 PRO 13 HG3 PRO 13 11.601 14.908 6.182 80 HD2 PRO 13 HD2 PRO 13 12.334 14.704 3.583 81 HD3 PRO 13 HD3 PRO 13 11.482 16.123 4.227 82 H CYS 14 H CYS 14 14.965 14.492 3.982 83 HA CYS 14 HA CYS 14 17.409 13.914 5.415 84 HB2 CYS 14 HB2 CYS 14 15.878 12.553 3.216 85 HB3 CYS 14 HB3 CYS 14 17.517 12.047 3.612 86 H LEU 15 H LEU 15 16.509 15.713 2.679 87 HA LEU 15 HA LEU 15 18.798 15.396 1.059 88 HB2 LEU 15 HB2 LEU 15 16.587 17.354 1.279 89 HB3 LEU 15 HB3 LEU 15 18.039 17.878 0.429 90 HG LEU 15 HG LEU 15 16.297 15.521 -0.288 91 HD11 LEU 15 HD11 LEU 15 16.587 17.424 -2.368 92 HD12 LEU 15 HD12 LEU 15 16.112 18.285 -0.905 93 HD13 LEU 15 HD13 LEU 15 15.124 16.952 -1.503 94 HD21 LEU 15 HD21 LEU 15 17.904 15.901 -2.415 95 HD22 LEU 15 HD22 LEU 15 18.239 14.741 -1.129 96 HD23 LEU 15 HD23 LEU 15 19.010 16.328 -1.110 97 H THR 16 H THR 16 17.975 17.810 3.534 98 HA THR 16 HA THR 16 20.177 19.453 3.367 99 HB THR 16 HB THR 16 18.924 18.603 5.981 100 HG1 THR 16 HG1 THR 16 18.041 20.452 4.007 101 HG21 THR 16 HG21 THR 16 20.004 20.326 6.924 102 HG22 THR 16 HG22 THR 16 19.637 21.403 5.576 103 HG23 THR 16 HG23 THR 16 21.022 20.316 5.485 104 H TYR 17 H TYR 17 19.893 16.327 4.975 105 HA TYR 17 HA TYR 17 22.591 16.469 6.017 106 HB2 TYR 17 HB2 TYR 17 20.676 15.342 7.218 107 HB3 TYR 17 HB3 TYR 17 20.744 14.079 5.995 108 HD1 TYR 17 HD1 TYR 17 23.562 15.862 7.646 109 HD2 TYR 17 HD2 TYR 17 21.456 12.195 7.179 110 HE1 TYR 17 HE1 TYR 17 25.301 14.705 8.945 111 HE2 TYR 17 HE2 TYR 17 23.188 11.028 8.477 112 HH TYR 17 HH TYR 17 26.113 12.687 9.546 113 H LEU 18 H LEU 18 20.872 14.941 3.369 114 HA LEU 18 HA LEU 18 23.018 13.229 2.585 115 HB2 LEU 18 HB2 LEU 18 20.416 14.071 1.406 116 HB3 LEU 18 HB3 LEU 18 21.612 13.309 0.360 117 HG LEU 18 HG LEU 18 20.408 12.087 2.843 118 HD11 LEU 18 HD11 LEU 18 19.996 11.311 -0.035 119 HD12 LEU 18 HD12 LEU 18 18.881 12.329 0.876 120 HD13 LEU 18 HD13 LEU 18 19.175 10.666 1.386 121 HD21 LEU 18 HD21 LEU 18 22.827 11.516 1.512 122 HD22 LEU 18 HD22 LEU 18 21.691 10.236 1.086 123 HD23 LEU 18 HD23 LEU 18 22.035 10.581 2.781 124 H THR 19 H THR 19 22.609 16.531 2.406 125 HA THR 19 HA THR 19 24.103 16.846 -0.086 126 HB THR 19 HB THR 19 23.826 19.364 0.610 127 HG1 THR 19 HG1 THR 19 21.694 19.456 1.771 128 HG21 THR 19 HG21 THR 19 22.435 17.634 -1.043 129 HG22 THR 19 HG22 THR 19 22.296 19.392 -1.023 130 HG23 THR 19 HG23 THR 19 21.170 18.407 -0.089 131 H GLY 20 H GLY 20 24.656 16.633 3.253 132 HA2 GLY 20 HA2 GLY 20 26.988 16.396 3.938 133 HA3 GLY 20 HA3 GLY 20 27.367 17.741 2.873 134 H GLY 21 H GLY 21 24.459 18.229 4.509 135 HA2 GLY 21 HA2 GLY 21 25.727 20.249 6.186 136 HA3 GLY 21 HA3 GLY 21 24.004 20.075 5.885 137 HA PRO 22 HA PRO 22 24.859 18.594 10.187 138 HB2 PRO 22 HB2 PRO 22 22.751 19.892 11.300 139 HB3 PRO 22 HB3 PRO 22 24.331 20.649 11.068 140 HG2 PRO 22 HG2 PRO 22 21.858 20.876 9.396 141 HG3 PRO 22 HG3 PRO 22 22.989 22.146 9.900 142 HD2 PRO 22 HD2 PRO 22 23.053 21.033 7.432 143 HD3 PRO 22 HD3 PRO 22 24.515 21.614 8.256 144 H GLY 23 H GLY 23 23.954 16.802 11.053 145 HA2 GLY 23 HA2 GLY 23 21.359 16.042 11.277 146 HA3 GLY 23 HA3 GLY 23 21.767 15.562 9.636 147 HA PRO 24 HA PRO 24 20.777 13.799 9.385 148 HB2 PRO 24 HB2 PRO 24 19.382 11.682 10.356 149 HB3 PRO 24 HB3 PRO 24 20.741 11.506 9.240 150 HG2 PRO 24 HG2 PRO 24 20.680 11.188 12.216 151 HG3 PRO 24 HG3 PRO 24 21.487 10.181 10.999 152 HD2 PRO 24 HD2 PRO 24 22.810 12.028 12.472 153 HD3 PRO 24 HD3 PRO 24 23.273 11.625 10.806 154 H SER 25 H SER 25 18.928 14.924 9.599 155 HA SER 25 HA SER 25 18.234 16.113 12.057 156 HB2 SER 25 HB2 SER 25 16.020 16.571 10.615 157 HB3 SER 25 HB3 SER 25 17.525 17.447 10.338 158 HG SER 25 HG SER 25 16.263 16.184 8.541 159 HA PRO 26 HA PRO 26 15.386 13.373 13.959 160 HB2 PRO 26 HB2 PRO 26 13.384 15.018 14.771 161 HB3 PRO 26 HB3 PRO 26 14.982 15.003 15.527 162 HG2 PRO 26 HG2 PRO 26 13.874 16.883 13.478 163 HG3 PRO 26 HG3 PRO 26 14.842 17.243 14.920 164 HD2 PRO 26 HD2 PRO 26 15.912 17.141 12.435 165 HD3 PRO 26 HD3 PRO 26 16.822 16.675 13.886 166 H GLN 27 H GLN 27 13.743 15.681 11.802 167 HA GLN 27 HA GLN 27 11.430 14.110 11.407 168 HB2 GLN 27 HB2 GLN 27 12.670 16.399 9.910 169 HB3 GLN 27 HB3 GLN 27 11.251 15.576 9.277 170 HG2 GLN 27 HG2 GLN 27 9.878 16.522 10.768 171 HG3 GLN 27 HG3 GLN 27 11.039 16.375 12.086 172 HE21 GLN 27 HE21 GLN 27 12.341 18.070 12.584 173 HE22 GLN 27 HE22 GLN 27 12.231 19.621 11.832 174 H CYS 28 H CYS 28 14.543 14.231 9.800 175 HA CYS 28 HA CYS 28 13.846 12.717 7.518 176 HB2 CYS 28 HB2 CYS 28 15.859 13.956 7.396 177 HB3 CYS 28 HB3 CYS 28 16.465 13.271 8.900 178 H CYS 29 H CYS 29 15.407 11.774 10.576 179 HA CYS 29 HA CYS 29 15.738 9.074 10.082 180 HB2 CYS 29 HB2 CYS 29 15.207 10.604 12.619 181 HB3 CYS 29 HB3 CYS 29 15.422 8.856 12.635 182 H GLY 30 H GLY 30 12.925 10.683 11.565 183 HA2 GLY 30 HA2 GLY 30 11.352 8.441 12.015 184 HA3 GLY 30 HA3 GLY 30 10.723 10.049 11.689 185 H GLY 31 H GLY 31 11.564 10.430 9.077 186 HA2 GLY 31 HA2 GLY 31 9.566 8.993 7.659 187 HA3 GLY 31 HA3 GLY 31 10.759 10.073 6.953 188 H VAL 32 H VAL 32 13.097 8.736 7.757 189 HA VAL 32 HA VAL 32 13.477 6.937 5.680 190 HB VAL 32 HB VAL 32 14.996 7.077 8.288 191 HG11 VAL 32 HG11 VAL 32 15.548 5.679 5.693 192 HG12 VAL 32 HG12 VAL 32 16.856 6.162 6.775 193 HG13 VAL 32 HG13 VAL 32 15.617 5.038 7.334 194 HG21 VAL 32 HG21 VAL 32 14.815 8.879 6.073 195 HG22 VAL 32 HG22 VAL 32 15.759 9.032 7.556 196 HG23 VAL 32 HG23 VAL 32 16.445 8.209 6.155 197 H LYS 33 H LYS 33 13.182 6.135 9.146 198 HA LYS 33 HA LYS 33 13.097 3.369 8.861 199 HB2 LYS 33 HB2 LYS 33 12.090 5.269 10.945 200 HB3 LYS 33 HB3 LYS 33 11.681 3.562 11.063 201 HG2 LYS 33 HG2 LYS 33 14.004 2.957 11.160 202 HG3 LYS 33 HG3 LYS 33 14.490 4.628 10.868 203 HD2 LYS 33 HD2 LYS 33 14.062 5.265 13.001 204 HD3 LYS 33 HD3 LYS 33 12.689 4.167 13.166 205 HE2 LYS 33 HE2 LYS 33 14.912 2.508 12.904 206 HE3 LYS 33 HE3 LYS 33 15.446 3.813 13.962 207 HZ1 LYS 33 HZ1 LYS 33 14.531 2.373 15.460 208 HZ2 LYS 33 HZ2 LYS 33 13.343 1.814 14.394 209 HZ3 LYS 33 HZ3 LYS 33 13.178 3.332 15.123 210 H LYS 34 H LYS 34 10.668 5.750 8.242 211 HA LYS 34 HA LYS 34 8.405 4.027 8.379 212 HB2 LYS 34 HB2 LYS 34 8.537 6.633 8.399 213 HB3 LYS 34 HB3 LYS 34 8.503 6.475 6.647 214 HG2 LYS 34 HG2 LYS 34 6.278 6.816 7.269 215 HG3 LYS 34 HG3 LYS 34 6.401 5.081 6.971 216 HD2 LYS 34 HD2 LYS 34 6.844 4.874 9.487 217 HD3 LYS 34 HD3 LYS 34 6.243 6.530 9.598 218 HE2 LYS 34 HE2 LYS 34 4.103 5.933 8.951 219 HE3 LYS 34 HE3 LYS 34 4.646 4.458 8.152 220 HZ1 LYS 34 HZ1 LYS 34 3.724 3.610 10.041 221 HZ2 LYS 34 HZ2 LYS 34 4.126 4.947 10.995 222 HZ3 LYS 34 HZ3 LYS 34 5.314 3.817 10.580 223 H LEU 35 H LEU 35 10.500 5.131 5.746 224 HA LEU 35 HA LEU 35 9.068 3.892 3.652 225 HB2 LEU 35 HB2 LEU 35 10.824 5.692 3.458 226 HB3 LEU 35 HB3 LEU 35 12.029 4.430 3.705 227 HG LEU 35 HG LEU 35 10.044 4.259 1.461 228 HD11 LEU 35 HD11 LEU 35 12.512 5.931 1.642 229 HD12 LEU 35 HD12 LEU 35 10.952 6.304 0.909 230 HD13 LEU 35 HD13 LEU 35 12.058 5.189 0.107 231 HD21 LEU 35 HD21 LEU 35 12.341 3.175 0.583 232 HD22 LEU 35 HD22 LEU 35 11.098 2.262 1.441 233 HD23 LEU 35 HD23 LEU 35 12.505 2.872 2.313 234 H LEU 36 H LEU 36 11.558 2.754 5.841 235 HA LEU 36 HA LEU 36 11.918 0.264 4.415 236 HB2 LEU 36 HB2 LEU 36 13.045 1.472 6.904 237 HB3 LEU 36 HB3 LEU 36 13.220 -0.257 6.616 238 HG LEU 36 HG LEU 36 14.133 1.774 4.600 239 HD11 LEU 36 HD11 LEU 36 15.808 0.601 6.812 240 HD12 LEU 36 HD12 LEU 36 15.189 2.252 6.793 241 HD13 LEU 36 HD13 LEU 36 16.332 1.724 5.557 242 HD21 LEU 36 HD21 LEU 36 13.858 -0.625 3.966 243 HD22 LEU 36 HD22 LEU 36 15.080 -1.029 5.173 244 HD23 LEU 36 HD23 LEU 36 15.503 -0.012 3.795 245 H ALA 37 H ALA 37 10.125 1.459 7.164 246 HA ALA 37 HA ALA 37 9.414 -1.118 8.189 247 HB1 ALA 37 HB1 ALA 37 7.787 0.154 9.564 248 HB2 ALA 37 HB2 ALA 37 9.439 0.761 9.685 249 HB3 ALA 37 HB3 ALA 37 8.255 1.618 8.697 250 H ALA 38 H ALA 38 7.947 1.204 5.987 251 HA ALA 38 HA ALA 38 5.444 -0.175 5.801 252 HB1 ALA 38 HB1 ALA 38 5.589 2.217 5.375 253 HB2 ALA 38 HB2 ALA 38 6.646 1.919 3.994 254 HB3 ALA 38 HB3 ALA 38 4.972 1.366 3.959 255 H ALA 39 H ALA 39 8.489 -0.882 4.652 256 HA ALA 39 HA ALA 39 7.369 -2.545 2.492 257 HB1 ALA 39 HB1 ALA 39 9.137 -2.094 1.078 258 HB2 ALA 39 HB2 ALA 39 8.882 -0.531 1.854 259 HB3 ALA 39 HB3 ALA 39 10.194 -1.578 2.393 260 H ASN 40 H ASN 40 7.160 -4.324 3.889 261 HA ASN 40 HA ASN 40 9.516 -5.329 5.255 262 HB2 ASN 40 HB2 ASN 40 7.015 -5.412 6.053 263 HB3 ASN 40 HB3 ASN 40 6.949 -6.860 5.054 264 HD21 ASN 40 HD21 ASN 40 9.117 -5.380 7.445 265 HD22 ASN 40 HD22 ASN 40 9.413 -6.836 8.327 266 H THR 41 H THR 41 7.504 -6.136 2.482 267 HA THR 41 HA THR 41 9.016 -8.548 1.922 268 HB THR 41 HB THR 41 7.517 -8.907 0.081 269 HG1 THR 41 HG1 THR 41 5.840 -7.160 -0.218 270 HG21 THR 41 HG21 THR 41 6.707 -8.827 2.679 271 HG22 THR 41 HG22 THR 41 5.729 -9.441 1.346 272 HG23 THR 41 HG23 THR 41 5.510 -7.785 1.911 273 H THR 42 H THR 42 9.287 -8.644 -0.741 274 HA THR 42 HA THR 42 11.498 -6.847 -1.203 275 HB THR 42 HB THR 42 10.530 -8.655 -3.362 276 HG1 THR 42 HG1 THR 42 11.972 -9.696 -1.150 277 HG21 THR 42 HG21 THR 42 12.536 -7.934 -4.075 278 HG22 THR 42 HG22 THR 42 13.200 -9.102 -2.932 279 HG23 THR 42 HG23 THR 42 13.022 -7.412 -2.462 280 HA PRO 43 HA PRO 43 8.392 -5.851 -4.985 281 HB2 PRO 43 HB2 PRO 43 5.980 -6.045 -3.240 282 HB3 PRO 43 HB3 PRO 43 6.156 -6.408 -4.961 283 HG2 PRO 43 HG2 PRO 43 6.034 -8.359 -3.128 284 HG3 PRO 43 HG3 PRO 43 7.061 -8.496 -4.566 285 HD2 PRO 43 HD2 PRO 43 7.805 -8.021 -1.747 286 HD3 PRO 43 HD3 PRO 43 8.718 -8.812 -3.049 287 H ASP 44 H ASP 44 7.392 -5.053 -1.654 288 HA ASP 44 HA ASP 44 6.734 -2.364 -2.201 289 HB2 ASP 44 HB2 ASP 44 7.203 -3.986 0.252 290 HB3 ASP 44 HB3 ASP 44 7.251 -2.233 0.413 291 H ARG 45 H ARG 45 9.667 -3.844 -0.844 292 HA ARG 45 HA ARG 45 11.091 -1.453 -0.453 293 HB2 ARG 45 HB2 ARG 45 11.850 -4.334 -0.722 294 HB3 ARG 45 HB3 ARG 45 13.114 -3.111 -0.744 295 HG2 ARG 45 HG2 ARG 45 12.459 -2.327 1.437 296 HG3 ARG 45 HG3 ARG 45 11.082 -3.431 1.454 297 HD2 ARG 45 HD2 ARG 45 12.355 -5.217 1.978 298 HD3 ARG 45 HD3 ARG 45 13.697 -4.686 0.965 299 HE ARG 45 HE ARG 45 13.422 -3.050 3.276 300 HH11 ARG 45 HH11 ARG 45 14.601 -6.134 2.172 301 HH12 ARG 45 HH12 ARG 45 15.790 -6.275 3.425 302 HH21 ARG 45 HH21 ARG 45 14.983 -3.224 4.930 303 HH22 ARG 45 HH22 ARG 45 16.005 -4.620 4.994 304 H GLN 46 H GLN 46 10.473 -3.345 -3.289 305 HA GLN 46 HA GLN 46 12.613 -2.359 -4.879 306 HB2 GLN 46 HB2 GLN 46 10.111 -3.887 -5.364 307 HB3 GLN 46 HB3 GLN 46 10.830 -3.066 -6.743 308 HG2 GLN 46 HG2 GLN 46 13.016 -4.235 -5.938 309 HG3 GLN 46 HG3 GLN 46 11.898 -5.316 -5.108 310 HE21 GLN 46 HE21 GLN 46 11.728 -7.117 -6.225 311 HE22 GLN 46 HE22 GLN 46 11.535 -7.240 -7.938 312 H ALA 47 H ALA 47 9.158 -1.512 -4.714 313 HA ALA 47 HA ALA 47 9.144 0.515 -6.610 314 HB1 ALA 47 HB1 ALA 47 7.457 -0.177 -4.275 315 HB2 ALA 47 HB2 ALA 47 7.274 1.440 -4.956 316 HB3 ALA 47 HB3 ALA 47 7.022 0.021 -5.972 317 H ALA 48 H ALA 48 9.651 0.796 -3.094 318 HA ALA 48 HA ALA 48 10.061 3.568 -3.036 319 HB1 ALA 48 HB1 ALA 48 10.711 3.305 -0.830 320 HB2 ALA 48 HB2 ALA 48 9.701 1.884 -1.102 321 HB3 ALA 48 HB3 ALA 48 11.458 1.735 -1.129 322 H CYS 49 H CYS 49 12.492 0.954 -2.980 323 HA CYS 49 HA CYS 49 14.787 2.448 -3.054 324 HB2 CYS 49 HB2 CYS 49 14.064 -0.238 -4.150 325 HB3 CYS 49 HB3 CYS 49 15.632 0.450 -4.562 326 H ASN 50 H ASN 50 12.650 1.637 -5.738 327 HA ASN 50 HA ASN 50 14.266 2.554 -7.836 328 HB2 ASN 50 HB2 ASN 50 11.252 2.450 -7.597 329 HB3 ASN 50 HB3 ASN 50 12.116 2.776 -9.097 330 HD21 ASN 50 HD21 ASN 50 10.311 0.594 -8.405 331 HD22 ASN 50 HD22 ASN 50 11.206 -0.863 -8.657 332 H CYS 51 H CYS 51 11.678 4.235 -6.056 333 HA CYS 51 HA CYS 51 12.083 6.724 -7.364 334 HB2 CYS 51 HB2 CYS 51 10.505 5.755 -5.037 335 HB3 CYS 51 HB3 CYS 51 10.834 7.482 -5.120 336 H LEU 52 H LEU 52 13.589 5.159 -4.677 337 HA LEU 52 HA LEU 52 14.687 7.520 -3.489 338 HB2 LEU 52 HB2 LEU 52 14.977 4.593 -3.122 339 HB3 LEU 52 HB3 LEU 52 16.291 5.615 -2.543 340 HG LEU 52 HG LEU 52 13.408 5.863 -1.688 341 HD11 LEU 52 HD11 LEU 52 14.110 4.863 0.401 342 HD12 LEU 52 HD12 LEU 52 15.754 4.681 -0.209 343 HD13 LEU 52 HD13 LEU 52 14.437 3.761 -0.936 344 HD21 LEU 52 HD21 LEU 52 14.737 7.131 0.205 345 HD22 LEU 52 HD22 LEU 52 14.242 7.950 -1.277 346 HD23 LEU 52 HD23 LEU 52 15.900 7.375 -1.098 347 H LYS 53 H LYS 53 16.209 4.822 -5.262 348 HA LYS 53 HA LYS 53 18.735 5.880 -5.546 349 HB2 LYS 53 HB2 LYS 53 17.634 3.593 -6.329 350 HB3 LYS 53 HB3 LYS 53 17.565 4.430 -7.875 351 HG2 LYS 53 HG2 LYS 53 19.781 4.287 -8.197 352 HG3 LYS 53 HG3 LYS 53 20.153 4.587 -6.498 353 HD2 LYS 53 HD2 LYS 53 20.832 2.338 -7.157 354 HD3 LYS 53 HD3 LYS 53 19.537 2.279 -5.959 355 HE2 LYS 53 HE2 LYS 53 18.492 2.345 -8.655 356 HE3 LYS 53 HE3 LYS 53 19.601 0.994 -8.427 357 HZ1 LYS 53 HZ1 LYS 53 17.968 -0.073 -7.410 358 HZ2 LYS 53 HZ2 LYS 53 16.948 1.273 -7.512 359 HZ3 LYS 53 HZ3 LYS 53 17.976 1.090 -6.181 360 H SER 54 H SER 54 15.882 6.449 -7.553 361 HA SER 54 HA SER 54 17.270 8.087 -9.447 362 HB2 SER 54 HB2 SER 54 15.370 7.122 -10.374 363 HB3 SER 54 HB3 SER 54 14.398 7.402 -8.930 364 HG SER 54 HG SER 54 13.700 8.931 -10.291 365 H ALA 55 H ALA 55 15.634 8.615 -6.429 366 HA ALA 55 HA ALA 55 15.206 11.409 -6.706 367 HB1 ALA 55 HB1 ALA 55 15.245 11.176 -4.072 368 HB2 ALA 55 HB2 ALA 55 13.896 10.574 -5.036 369 HB3 ALA 55 HB3 ALA 55 15.138 9.460 -4.465 370 H ALA 56 H ALA 56 17.733 9.522 -5.051 371 HA ALA 56 HA ALA 56 19.242 11.753 -4.201 372 HB1 ALA 56 HB1 ALA 56 20.191 8.934 -4.699 373 HB2 ALA 56 HB2 ALA 56 21.011 10.160 -3.732 374 HB3 ALA 56 HB3 ALA 56 19.455 9.518 -3.206 375 H GLY 57 H GLY 57 18.811 10.383 -7.273 376 HA2 GLY 57 HA2 GLY 57 21.323 10.754 -8.462 377 HA3 GLY 57 HA3 GLY 57 19.785 10.785 -9.311 378 H SER 58 H SER 58 19.072 13.070 -7.343 379 HA SER 58 HA SER 58 20.098 15.172 -9.087 380 HB2 SER 58 HB2 SER 58 18.058 15.443 -6.872 381 HB3 SER 58 HB3 SER 58 18.354 16.562 -8.203 382 HG SER 58 HG SER 58 16.644 15.410 -8.875 383 H ILE 59 H ILE 59 21.202 13.710 -6.425 384 HA ILE 59 HA ILE 59 21.928 16.036 -4.866 385 HB ILE 59 HB ILE 59 22.874 13.184 -4.565 386 HG12 ILE 59 HG12 ILE 59 20.609 14.652 -3.198 387 HG13 ILE 59 HG13 ILE 59 20.441 13.333 -4.351 388 HG21 ILE 59 HG21 ILE 59 23.448 13.872 -2.280 389 HG22 ILE 59 HG22 ILE 59 24.344 14.790 -3.490 390 HG23 ILE 59 HG23 ILE 59 22.968 15.524 -2.666 391 HD11 ILE 59 HD11 ILE 59 21.564 11.832 -2.783 392 HD12 ILE 59 HD12 ILE 59 21.701 13.156 -1.625 393 HD13 ILE 59 HD13 ILE 59 20.111 12.549 -2.088 394 H THR 60 H THR 60 23.531 17.321 -5.467 395 HA THR 60 HA THR 60 25.516 16.528 -7.367 396 HB THR 60 HB THR 60 24.793 18.820 -7.390 397 HG1 THR 60 HG1 THR 60 27.419 18.837 -6.297 398 HG21 THR 60 HG21 THR 60 24.334 19.963 -5.534 399 HG22 THR 60 HG22 THR 60 26.013 19.841 -5.008 400 HG23 THR 60 HG23 THR 60 24.860 18.577 -4.581 401 H LYS 61 H LYS 61 27.418 15.600 -7.001 402 HA LYS 61 HA LYS 61 29.228 14.726 -5.936 403 HB2 LYS 61 HB2 LYS 61 28.805 17.301 -4.457 404 HB3 LYS 61 HB3 LYS 61 30.054 16.180 -3.933 405 HG2 LYS 61 HG2 LYS 61 30.775 16.266 -6.441 406 HG3 LYS 61 HG3 LYS 61 29.874 17.784 -6.436 407 HD2 LYS 61 HD2 LYS 61 31.868 18.630 -5.784 408 HD3 LYS 61 HD3 LYS 61 31.321 18.100 -4.192 409 HE2 LYS 61 HE2 LYS 61 32.556 16.030 -4.424 410 HE3 LYS 61 HE3 LYS 61 33.029 16.465 -6.065 411 HZ1 LYS 61 HZ1 LYS 61 34.136 18.457 -5.050 412 HZ2 LYS 61 HZ2 LYS 61 34.849 16.968 -4.680 413 HZ3 LYS 61 HZ3 LYS 61 33.880 17.749 -3.534 414 H LEU 62 H LEU 62 26.934 13.449 -5.291 415 HA LEU 62 HA LEU 62 26.138 13.267 -2.662 416 HB2 LEU 62 HB2 LEU 62 24.986 12.066 -4.379 417 HB3 LEU 62 HB3 LEU 62 26.420 11.108 -4.742 418 HG LEU 62 HG LEU 62 26.077 10.377 -2.198 419 HD11 LEU 62 HD11 LEU 62 24.040 10.669 -1.332 420 HD12 LEU 62 HD12 LEU 62 23.238 10.307 -2.860 421 HD13 LEU 62 HD13 LEU 62 23.848 11.932 -2.549 422 HD21 LEU 62 HD21 LEU 62 25.331 9.325 -4.795 423 HD22 LEU 62 HD22 LEU 62 24.302 8.703 -3.505 424 HD23 LEU 62 HD23 LEU 62 26.053 8.508 -3.409 425 H ASN 63 H ASN 63 26.861 12.272 -0.835 426 HA ASN 63 HA ASN 63 29.610 11.235 -0.931 427 HB2 ASN 63 HB2 ASN 63 28.795 13.272 0.556 428 HB3 ASN 63 HB3 ASN 63 28.290 11.981 1.642 429 HD21 ASN 63 HD21 ASN 63 30.610 14.097 1.283 430 HD22 ASN 63 HD22 ASN 63 31.983 13.205 1.837 431 H THR 64 H THR 64 29.502 9.080 -1.181 432 HA THR 64 HA THR 64 27.477 7.367 -0.395 433 HB THR 64 HB THR 64 29.299 5.572 -0.388 434 HG1 THR 64 HG1 THR 64 31.332 6.207 -1.018 435 HG21 THR 64 HG21 THR 64 28.672 5.380 -2.516 436 HG22 THR 64 HG22 THR 64 29.770 6.684 -2.967 437 HG23 THR 64 HG23 THR 64 28.111 7.051 -2.498 438 H ASN 65 H ASN 65 30.245 8.538 1.436 439 HA ASN 65 HA ASN 65 29.987 6.783 3.635 440 HB2 ASN 65 HB2 ASN 65 31.398 9.351 3.106 441 HB3 ASN 65 HB3 ASN 65 31.169 8.885 4.789 442 HD21 ASN 65 HD21 ASN 65 32.514 7.451 5.658 443 HD22 ASN 65 HD22 ASN 65 33.694 6.538 4.788 444 H ASN 66 H ASN 66 28.741 10.050 3.035 445 HA ASN 66 HA ASN 66 27.482 10.342 5.554 446 HB2 ASN 66 HB2 ASN 66 26.795 11.703 2.940 447 HB3 ASN 66 HB3 ASN 66 26.331 12.248 4.549 448 HD21 ASN 66 HD21 ASN 66 27.567 14.038 3.081 449 HD22 ASN 66 HD22 ASN 66 29.208 14.261 3.574 450 H ALA 67 H ALA 67 26.380 9.141 2.425 451 HA ALA 67 HA ALA 67 23.649 8.939 2.972 452 HB1 ALA 67 HB1 ALA 67 25.512 7.658 1.056 453 HB2 ALA 67 HB2 ALA 67 23.937 6.899 1.291 454 HB3 ALA 67 HB3 ALA 67 24.036 8.579 0.762 455 H ALA 68 H ALA 68 26.304 6.715 3.661 456 HA ALA 68 HA ALA 68 24.598 4.641 4.667 457 HB1 ALA 68 HB1 ALA 68 27.525 5.078 4.447 458 HB2 ALA 68 HB2 ALA 68 26.954 3.909 5.638 459 HB3 ALA 68 HB3 ALA 68 26.540 3.706 3.936 460 H ALA 69 H ALA 69 26.179 7.435 5.991 461 HA ALA 69 HA ALA 69 26.060 6.621 8.728 462 HB1 ALA 69 HB1 ALA 69 26.597 8.968 9.221 463 HB2 ALA 69 HB2 ALA 69 27.674 8.279 8.006 464 HB3 ALA 69 HB3 ALA 69 26.373 9.365 7.517 465 H LEU 70 H LEU 70 23.837 8.065 6.506 466 HA LEU 70 HA LEU 70 22.108 9.386 8.255 467 HB2 LEU 70 HB2 LEU 70 21.630 9.838 6.067 468 HB3 LEU 70 HB3 LEU 70 21.862 8.166 5.559 469 HG LEU 70 HG LEU 70 19.681 7.572 6.468 470 HD11 LEU 70 HD11 LEU 70 19.262 10.490 7.059 471 HD12 LEU 70 HD12 LEU 70 19.750 9.318 8.283 472 HD13 LEU 70 HD13 LEU 70 18.205 9.134 7.453 473 HD21 LEU 70 HD21 LEU 70 19.298 10.034 4.796 474 HD22 LEU 70 HD22 LEU 70 18.377 8.530 4.778 475 HD23 LEU 70 HD23 LEU 70 20.020 8.567 4.135 476 HA PRO 71 HA PRO 71 19.595 5.268 8.593 477 HB2 PRO 71 HB2 PRO 71 20.792 3.009 7.679 478 HB3 PRO 71 HB3 PRO 71 19.779 4.040 6.660 479 HG2 PRO 71 HG2 PRO 71 22.764 3.923 6.863 480 HG3 PRO 71 HG3 PRO 71 21.745 4.046 5.417 481 HD2 PRO 71 HD2 PRO 71 22.999 6.187 6.502 482 HD3 PRO 71 HD3 PRO 71 21.432 6.315 5.677 483 H GLY 72 H GLY 72 23.118 4.883 8.816 484 HA2 GLY 72 HA2 GLY 72 23.077 3.073 11.001 485 HA3 GLY 72 HA3 GLY 72 24.454 4.032 10.482 486 H LYS 73 H LYS 73 23.192 6.589 10.803 487 HA LYS 73 HA LYS 73 23.660 6.942 13.611 488 HB2 LYS 73 HB2 LYS 73 22.886 8.820 11.385 489 HB3 LYS 73 HB3 LYS 73 23.020 9.355 13.055 490 HG2 LYS 73 HG2 LYS 73 25.372 7.899 12.343 491 HG3 LYS 73 HG3 LYS 73 25.056 9.141 11.128 492 HD2 LYS 73 HD2 LYS 73 24.642 10.634 13.265 493 HD3 LYS 73 HD3 LYS 73 25.677 9.424 14.028 494 HE2 LYS 73 HE2 LYS 73 27.398 9.838 12.336 495 HE3 LYS 73 HE3 LYS 73 26.362 11.047 11.577 496 HZ1 LYS 73 HZ1 LYS 73 26.495 12.403 13.524 497 HZ2 LYS 73 HZ2 LYS 73 28.070 11.995 13.062 498 HZ3 LYS 73 HZ3 LYS 73 27.344 11.211 14.374 499 H CYS 74 H CYS 74 20.876 6.658 11.546 500 HA CYS 74 HA CYS 74 19.029 7.647 13.539 501 HB2 CYS 74 HB2 CYS 74 18.659 6.385 10.823 502 HB3 CYS 74 HB3 CYS 74 17.305 6.811 11.865 503 H GLY 75 H GLY 75 20.706 4.819 13.146 504 HA2 GLY 75 HA2 GLY 75 20.565 2.920 14.493 505 HA3 GLY 75 HA3 GLY 75 18.971 3.440 15.017 506 H VAL 76 H VAL 76 18.764 3.737 11.816 507 HA VAL 76 HA VAL 76 17.699 1.013 11.502 508 HB VAL 76 HB VAL 76 15.967 2.627 11.211 509 HG11 VAL 76 HG11 VAL 76 18.079 4.155 9.910 510 HG12 VAL 76 HG12 VAL 76 16.551 4.192 9.029 511 HG13 VAL 76 HG13 VAL 76 16.611 4.708 10.715 512 HG21 VAL 76 HG21 VAL 76 16.749 1.969 8.391 513 HG22 VAL 76 HG22 VAL 76 16.256 0.711 9.524 514 HG23 VAL 76 HG23 VAL 76 15.140 2.014 9.113 515 H ASN 77 H ASN 77 19.679 0.058 10.895 516 HA ASN 77 HA ASN 77 21.032 1.052 8.523 517 HB2 ASN 77 HB2 ASN 77 21.622 -0.985 10.618 518 HB3 ASN 77 HB3 ASN 77 22.372 -1.194 9.038 519 HD21 ASN 77 HD21 ASN 77 23.211 -0.296 11.878 520 HD22 ASN 77 HD22 ASN 77 24.216 1.074 11.564 521 H ILE 78 H ILE 78 21.155 -0.012 6.566 522 HA ILE 78 HA ILE 78 19.233 -2.217 6.196 523 HB ILE 78 HB ILE 78 19.248 -1.380 3.748 524 HG12 ILE 78 HG12 ILE 78 21.160 0.291 4.490 525 HG13 ILE 78 HG13 ILE 78 19.977 0.752 3.270 526 HG21 ILE 78 HG21 ILE 78 17.858 -0.105 6.069 527 HG22 ILE 78 HG22 ILE 78 17.544 0.448 4.425 528 HG23 ILE 78 HG23 ILE 78 17.225 -1.229 4.867 529 HD11 ILE 78 HD11 ILE 78 18.910 2.217 4.666 530 HD12 ILE 78 HD12 ILE 78 19.424 1.372 6.126 531 HD13 ILE 78 HD13 ILE 78 20.574 2.363 5.230 532 HA PRO 79 HA PRO 79 22.412 -4.778 4.587 533 HB2 PRO 79 HB2 PRO 79 21.111 -6.116 2.615 534 HB3 PRO 79 HB3 PRO 79 20.820 -6.415 4.333 535 HG2 PRO 79 HG2 PRO 79 19.238 -4.761 2.404 536 HG3 PRO 79 HG3 PRO 79 18.662 -5.893 3.641 537 HD2 PRO 79 HD2 PRO 79 18.669 -3.210 4.011 538 HD3 PRO 79 HD3 PRO 79 18.916 -4.359 5.343 539 H TYR 80 H TYR 80 20.877 -2.459 2.566 540 HA TYR 80 HA TYR 80 23.119 -2.637 0.663 541 HB2 TYR 80 HB2 TYR 80 20.206 -2.078 0.121 542 HB3 TYR 80 HB3 TYR 80 21.473 -1.657 -1.025 543 HD1 TYR 80 HD1 TYR 80 22.764 -3.421 -2.152 544 HD2 TYR 80 HD2 TYR 80 19.529 -4.361 0.447 545 HE1 TYR 80 HE1 TYR 80 22.696 -5.701 -3.072 546 HE2 TYR 80 HE2 TYR 80 19.453 -6.644 -0.465 547 HH TYR 80 HH TYR 80 20.114 -7.851 -2.462 548 H LYS 81 H LYS 81 23.887 -0.665 -0.197 549 HA LYS 81 HA LYS 81 23.620 1.559 1.637 550 HB2 LYS 81 HB2 LYS 81 25.486 2.528 0.477 551 HB3 LYS 81 HB3 LYS 81 25.829 0.823 0.734 552 HG2 LYS 81 HG2 LYS 81 24.818 0.571 -1.668 553 HG3 LYS 81 HG3 LYS 81 25.242 2.280 -1.793 554 HD2 LYS 81 HD2 LYS 81 27.536 1.831 -1.396 555 HD3 LYS 81 HD3 LYS 81 27.196 0.175 -0.890 556 HE2 LYS 81 HE2 LYS 81 26.165 0.622 -3.529 557 HE3 LYS 81 HE3 LYS 81 27.861 1.097 -3.463 558 HZ1 LYS 81 HZ1 LYS 81 26.995 -1.416 -3.832 559 HZ2 LYS 81 HZ2 LYS 81 27.268 -1.412 -2.163 560 HZ3 LYS 81 HZ3 LYS 81 28.522 -1.013 -3.226 561 H ILE 82 H ILE 82 23.558 3.817 0.608 562 HA ILE 82 HA ILE 82 21.371 3.854 -1.364 563 HB ILE 82 HB ILE 82 22.088 5.946 0.694 564 HG12 ILE 82 HG12 ILE 82 19.632 5.221 1.393 565 HG13 ILE 82 HG13 ILE 82 20.104 3.716 0.612 566 HG21 ILE 82 HG21 ILE 82 19.598 6.571 -0.157 567 HG22 ILE 82 HG22 ILE 82 21.075 7.293 -0.794 568 HG23 ILE 82 HG23 ILE 82 20.311 5.952 -1.646 569 HD11 ILE 82 HD11 ILE 82 22.253 4.258 2.219 570 HD12 ILE 82 HD12 ILE 82 20.886 4.815 3.185 571 HD13 ILE 82 HD13 ILE 82 20.932 3.153 2.596 572 H SER 83 H SER 83 22.305 4.113 -3.310 573 HA SER 83 HA SER 83 23.435 6.613 -4.006 574 HB2 SER 83 HB2 SER 83 25.693 6.135 -4.345 575 HB3 SER 83 HB3 SER 83 25.359 5.294 -2.832 576 HG SER 83 HG SER 83 26.269 3.725 -3.962 577 H THR 84 H THR 84 24.706 6.141 -6.313 578 HA THR 84 HA THR 84 22.588 5.140 -7.992 579 HB THR 84 HB THR 84 24.290 5.732 -9.846 580 HG1 THR 84 HG1 THR 84 26.138 6.569 -9.223 581 HG21 THR 84 HG21 THR 84 22.315 7.130 -8.758 582 HG22 THR 84 HG22 THR 84 23.405 7.841 -9.949 583 HG23 THR 84 HG23 THR 84 23.654 8.148 -8.231 584 H THR 85 H THR 85 24.966 3.617 -6.353 585 HA THR 85 HA THR 85 25.288 1.545 -8.425 586 HB THR 85 HB THR 85 27.369 0.868 -7.257 587 HG1 THR 85 HG1 THR 85 27.052 3.301 -5.806 588 HG21 THR 85 HG21 THR 85 27.465 2.377 -9.193 589 HG22 THR 85 HG22 THR 85 28.750 2.725 -8.036 590 HG23 THR 85 HG23 THR 85 27.328 3.764 -8.113 591 H THR 86 H THR 86 23.021 1.598 -6.804 592 HA THR 86 HA THR 86 23.500 -0.715 -5.039 593 HB THR 86 HB THR 86 21.512 1.532 -4.675 594 HG1 THR 86 HG1 THR 86 23.477 2.104 -3.829 595 HG21 THR 86 HG21 THR 86 21.473 -0.099 -2.417 596 HG22 THR 86 HG22 THR 86 21.418 -1.219 -3.779 597 HG23 THR 86 HG23 THR 86 20.205 0.052 -3.632 598 H ASN 87 H ASN 87 22.356 -2.504 -5.448 599 HA ASN 87 HA ASN 87 20.190 -2.317 -7.435 600 HB2 ASN 87 HB2 ASN 87 22.236 -3.631 -8.083 601 HB3 ASN 87 HB3 ASN 87 21.854 -4.756 -6.783 602 HD21 ASN 87 HD21 ASN 87 22.006 -5.949 -9.047 603 HD22 ASN 87 HD22 ASN 87 20.465 -6.278 -9.756 604 H CYS 88 H CYS 88 18.443 -2.042 -6.096 605 HA CYS 88 HA CYS 88 18.042 -3.670 -3.764 606 HB2 CYS 88 HB2 CYS 88 16.556 -1.496 -5.149 607 HB3 CYS 88 HB3 CYS 88 15.627 -2.578 -4.117 608 H ASN 89 H ASN 89 17.763 -4.294 -6.996 609 HA ASN 89 HA ASN 89 15.337 -5.827 -6.982 610 HB2 ASN 89 HB2 ASN 89 16.412 -4.704 -9.009 611 HB3 ASN 89 HB3 ASN 89 17.561 -6.039 -9.009 612 HD21 ASN 89 HD21 ASN 89 16.893 -8.070 -9.618 613 HD22 ASN 89 HD22 ASN 89 15.370 -8.364 -10.380 614 H THR 90 H THR 90 18.624 -6.398 -6.151 615 HA THR 90 HA THR 90 18.292 -9.303 -6.267 616 HB THR 90 HB THR 90 20.773 -9.065 -5.310 617 HG1 THR 90 HG1 THR 90 20.737 -6.791 -5.206 618 HG21 THR 90 HG21 THR 90 21.124 -10.046 -7.278 619 HG22 THR 90 HG22 THR 90 21.048 -8.471 -8.068 620 HG23 THR 90 HG23 THR 90 19.583 -9.432 -7.875 621 H VAL 91 H VAL 91 17.064 -7.327 -4.266 622 HA VAL 91 HA VAL 91 18.254 -8.003 -1.743 623 HB VAL 91 HB VAL 91 15.572 -6.751 -2.351 624 HG11 VAL 91 HG11 VAL 91 15.594 -6.036 -0.010 625 HG12 VAL 91 HG12 VAL 91 15.601 -7.795 -0.148 626 HG13 VAL 91 HG13 VAL 91 17.088 -6.935 0.250 627 HG21 VAL 91 HG21 VAL 91 16.570 -4.737 -2.442 628 HG22 VAL 91 HG22 VAL 91 17.732 -5.141 -1.178 629 HG23 VAL 91 HG23 VAL 91 18.013 -5.673 -2.836 630 H LYS 92 H LYS 92 17.861 -9.712 -0.495 631 HA LYS 92 HA LYS 92 15.843 -11.636 -1.358 632 HB2 LYS 92 HB2 LYS 92 18.300 -11.753 0.326 633 HB3 LYS 92 HB3 LYS 92 17.032 -12.931 0.638 634 HG2 LYS 92 HG2 LYS 92 17.481 -14.089 -1.221 635 HG3 LYS 92 HG3 LYS 92 17.721 -12.634 -2.190 636 HD2 LYS 92 HD2 LYS 92 19.801 -13.125 -0.177 637 HD3 LYS 92 HD3 LYS 92 19.699 -14.349 -1.445 638 HE2 LYS 92 HE2 LYS 92 19.585 -12.231 -3.008 639 HE3 LYS 92 HE3 LYS 92 20.378 -11.454 -1.639 640 HZ1 LYS 92 HZ1 LYS 92 22.290 -12.374 -2.221 641 HZ2 LYS 92 HZ2 LYS 92 21.556 -13.000 -3.611 642 HZ3 LYS 92 HZ3 LYS 92 21.621 -13.928 -2.198 643 H PHE 93 H PHE 93 13.870 -11.271 -0.565 644 HA PHE 93 HA PHE 93 12.168 -10.808 0.877 645 HB2 PHE 93 HB2 PHE 93 14.125 -12.391 2.463 646 HB3 PHE 93 HB3 PHE 93 12.810 -11.619 3.342 647 HD1 PHE 93 HD2 PHE 93 13.495 -13.869 0.467 648 HD2 PHE 93 HD1 PHE 93 10.724 -12.626 3.449 649 HE1 PHE 93 HE2 PHE 93 11.999 -15.719 -0.157 650 HE2 PHE 93 HE1 PHE 93 9.223 -14.475 2.829 651 HZ PHE 93 HZ PHE 93 9.859 -16.024 1.023 Start of MODEL 5 1 H1 ALA 1 H ALA 1 0.883 0.168 0.938 2 HA ALA 1 HA ALA 1 2.730 -0.433 -0.248 3 HB1 ALA 1 HB1 ALA 1 1.412 0.378 -2.805 4 HB2 ALA 1 HB2 ALA 1 2.482 -0.986 -2.477 5 HB3 ALA 1 HB3 ALA 1 0.815 -1.017 -1.904 6 H ILE 2 H ILE 2 4.620 0.485 -1.021 7 HA ILE 2 HA ILE 2 4.795 3.334 -0.802 8 HB ILE 2 HB ILE 2 6.880 1.306 -1.616 9 HG12 ILE 2 HG12 ILE 2 7.695 2.089 0.777 10 HG13 ILE 2 HG13 ILE 2 5.989 2.471 0.989 11 HG21 ILE 2 HG21 ILE 2 8.259 3.442 -0.673 12 HG22 ILE 2 HG22 ILE 2 7.955 3.124 -2.380 13 HG23 ILE 2 HG23 ILE 2 6.916 4.238 -1.493 14 HD11 ILE 2 HD11 ILE 2 6.807 0.187 1.761 15 HD12 ILE 2 HD12 ILE 2 5.348 0.240 0.773 16 HD13 ILE 2 HD13 ILE 2 6.886 -0.226 0.049 17 H SER 3 H SER 3 4.263 4.684 -2.377 18 HA SER 3 HA SER 3 4.397 3.796 -5.158 19 HB2 SER 3 HB2 SER 3 2.306 4.802 -4.608 20 HB3 SER 3 HB3 SER 3 3.093 6.170 -3.820 21 HG SER 3 HG SER 3 2.938 7.095 -5.693 22 H CYS 4 H CYS 4 4.965 6.997 -3.722 23 HA CYS 4 HA CYS 4 7.712 7.136 -4.293 24 HB2 CYS 4 HB2 CYS 4 6.313 7.212 -6.625 25 HB3 CYS 4 HB3 CYS 4 6.391 8.927 -6.233 26 H GLY 5 H GLY 5 4.699 9.009 -4.214 27 HA2 GLY 5 HA2 GLY 5 5.720 11.473 -3.440 28 HA3 GLY 5 HA3 GLY 5 4.120 10.881 -3.019 29 H ALA 6 H ALA 6 4.754 8.743 -1.384 30 HA ALA 6 HA ALA 6 5.234 10.040 1.075 31 HB1 ALA 6 HB1 ALA 6 4.898 7.202 0.225 32 HB2 ALA 6 HB2 ALA 6 5.478 7.552 1.854 33 HB3 ALA 6 HB3 ALA 6 3.916 8.174 1.321 34 H VAL 7 H VAL 7 7.326 8.449 -1.197 35 HA VAL 7 HA VAL 7 9.517 8.062 0.603 36 HB VAL 7 HB VAL 7 9.569 8.169 -2.416 37 HG11 VAL 7 HG11 VAL 7 11.756 7.831 -2.256 38 HG12 VAL 7 HG12 VAL 7 11.642 7.974 -0.501 39 HG13 VAL 7 HG13 VAL 7 11.480 6.395 -1.270 40 HG21 VAL 7 HG21 VAL 7 9.292 5.789 -2.406 41 HG22 VAL 7 HG22 VAL 7 9.327 5.742 -0.644 42 HG23 VAL 7 HG23 VAL 7 7.971 6.499 -1.478 43 H THR 8 H THR 8 8.680 10.490 -1.837 44 HA THR 8 HA THR 8 11.068 11.991 -1.613 45 HB THR 8 HB THR 8 8.353 13.010 -2.469 46 HG1 THR 8 HG1 THR 8 10.412 11.968 -4.134 47 HG21 THR 8 HG21 THR 8 9.617 14.918 -2.355 48 HG22 THR 8 HG22 THR 8 10.051 14.375 -3.976 49 HG23 THR 8 HG23 THR 8 11.134 14.060 -2.621 50 H SER 9 H SER 9 8.251 11.780 0.350 51 HA SER 9 HA SER 9 8.256 14.326 1.535 52 HB2 SER 9 HB2 SER 9 6.572 12.284 1.710 53 HB3 SER 9 HB3 SER 9 7.510 11.933 3.162 54 HG SER 9 HG SER 9 5.846 14.106 2.590 55 H ASP 10 H ASP 10 9.740 11.283 2.639 56 HA ASP 10 HA ASP 10 11.073 12.540 4.839 57 HB2 ASP 10 HB2 ASP 10 11.908 9.889 3.713 58 HB3 ASP 10 HB3 ASP 10 11.866 10.420 5.392 59 H LEU 11 H LEU 11 11.750 12.133 1.507 60 HA LEU 11 HA LEU 11 14.590 12.204 1.635 61 HB2 LEU 11 HB2 LEU 11 12.575 12.711 -0.524 62 HB3 LEU 11 HB3 LEU 11 14.289 13.018 -0.797 63 HG LEU 11 HG LEU 11 13.198 10.339 0.045 64 HD11 LEU 11 HD11 LEU 11 13.889 9.936 -2.496 65 HD12 LEU 11 HD12 LEU 11 13.377 11.619 -2.618 66 HD13 LEU 11 HD13 LEU 11 12.256 10.398 -2.015 67 HD21 LEU 11 HD21 LEU 11 15.836 11.455 -0.315 68 HD22 LEU 11 HD22 LEU 11 15.571 10.080 -1.388 69 HD23 LEU 11 HD23 LEU 11 15.355 9.895 0.353 70 H SER 12 H SER 12 12.078 14.651 1.459 71 HA SER 12 HA SER 12 13.572 16.880 0.767 72 HB2 SER 12 HB2 SER 12 11.343 17.407 0.864 73 HB3 SER 12 HB3 SER 12 11.064 16.431 2.306 74 HG SER 12 HG SER 12 10.929 18.630 2.811 75 HA PRO 13 HA PRO 13 14.511 17.622 5.451 76 HB2 PRO 13 HB2 PRO 13 13.973 15.583 7.161 77 HB3 PRO 13 HB3 PRO 13 12.793 16.837 6.760 78 HG2 PRO 13 HG2 PRO 13 13.054 14.062 5.667 79 HG3 PRO 13 HG3 PRO 13 11.592 14.941 6.152 80 HD2 PRO 13 HD2 PRO 13 12.352 14.693 3.565 81 HD3 PRO 13 HD3 PRO 13 11.495 16.123 4.176 82 H CYS 14 H CYS 14 14.979 14.488 3.994 83 HA CYS 14 HA CYS 14 17.408 13.935 5.463 84 HB2 CYS 14 HB2 CYS 14 15.901 12.533 3.273 85 HB3 CYS 14 HB3 CYS 14 17.534 12.033 3.700 86 H LEU 15 H LEU 15 16.538 15.691 2.693 87 HA LEU 15 HA LEU 15 18.839 15.341 1.097 88 HB2 LEU 15 HB2 LEU 15 16.631 17.307 1.267 89 HB3 LEU 15 HB3 LEU 15 18.092 17.817 0.424 90 HG LEU 15 HG LEU 15 16.357 15.450 -0.276 91 HD11 LEU 15 HD11 LEU 15 16.229 16.914 -2.437 92 HD12 LEU 15 HD12 LEU 15 16.620 18.227 -1.327 93 HD13 LEU 15 HD13 LEU 15 15.174 17.252 -1.065 94 HD21 LEU 15 HD21 LEU 15 18.073 15.976 -2.379 95 HD22 LEU 15 HD22 LEU 15 18.188 14.630 -1.244 96 HD23 LEU 15 HD23 LEU 15 19.099 16.113 -0.951 97 H THR 16 H THR 16 18.005 17.788 3.534 98 HA THR 16 HA THR 16 20.206 19.430 3.361 99 HB THR 16 HB THR 16 19.065 18.637 6.032 100 HG1 THR 16 HG1 THR 16 17.901 20.598 4.349 101 HG21 THR 16 HG21 THR 16 19.313 21.178 6.318 102 HG22 THR 16 HG22 THR 16 20.311 21.109 4.865 103 HG23 THR 16 HG23 THR 16 20.784 20.207 6.304 104 H TYR 17 H TYR 17 19.918 16.322 5.004 105 HA TYR 17 HA TYR 17 22.615 16.477 6.047 106 HB2 TYR 17 HB2 TYR 17 20.697 15.367 7.261 107 HB3 TYR 17 HB3 TYR 17 20.768 14.086 6.056 108 HD1 TYR 17 HD2 TYR 17 23.578 15.896 7.694 109 HD2 TYR 17 HD1 TYR 17 21.481 12.219 7.265 110 HE1 TYR 17 HE2 TYR 17 25.315 14.758 9.012 111 HE2 TYR 17 HE1 TYR 17 23.211 11.071 8.583 112 HH TYR 17 HH TYR 17 26.063 11.954 9.040 113 H LEU 18 H LEU 18 20.888 14.867 3.445 114 HA LEU 18 HA LEU 18 23.001 13.132 2.679 115 HB2 LEU 18 HB2 LEU 18 20.436 14.039 1.489 116 HB3 LEU 18 HB3 LEU 18 21.629 13.315 0.413 117 HG LEU 18 HG LEU 18 20.420 11.997 2.844 118 HD11 LEU 18 HD11 LEU 18 18.990 10.857 1.468 119 HD12 LEU 18 HD12 LEU 18 20.019 11.053 0.049 120 HD13 LEU 18 HD13 LEU 18 19.059 12.411 0.636 121 HD21 LEU 18 HD21 LEU 18 22.063 10.514 2.725 122 HD22 LEU 18 HD22 LEU 18 22.826 11.463 1.449 123 HD23 LEU 18 HD23 LEU 18 21.673 10.193 1.035 124 H THR 19 H THR 19 22.630 16.460 2.421 125 HA THR 19 HA THR 19 24.257 16.695 0.006 126 HB THR 19 HB THR 19 23.965 19.232 0.612 127 HG1 THR 19 HG1 THR 19 23.006 18.807 2.673 128 HG21 THR 19 HG21 THR 19 22.526 19.214 -1.101 129 HG22 THR 19 HG22 THR 19 21.336 18.288 -0.185 130 HG23 THR 19 HG23 THR 19 22.630 17.455 -1.045 131 H GLY 20 H GLY 20 24.659 16.516 3.354 132 HA2 GLY 20 HA2 GLY 20 26.976 16.292 4.120 133 HA3 GLY 20 HA3 GLY 20 27.366 17.673 3.104 134 H GLY 21 H GLY 21 24.441 18.375 4.387 135 HA2 GLY 21 HA2 GLY 21 25.550 20.297 6.204 136 HA3 GLY 21 HA3 GLY 21 23.843 20.023 5.889 137 HA PRO 22 HA PRO 22 24.814 18.576 10.196 138 HB2 PRO 22 HB2 PRO 22 22.725 19.861 11.359 139 HB3 PRO 22 HB3 PRO 22 24.297 20.625 11.098 140 HG2 PRO 22 HG2 PRO 22 21.789 20.851 9.478 141 HG3 PRO 22 HG3 PRO 22 22.925 22.122 9.964 142 HD2 PRO 22 HD2 PRO 22 22.942 21.021 7.491 143 HD3 PRO 22 HD3 PRO 22 24.418 21.604 8.287 144 H GLY 23 H GLY 23 23.934 16.776 11.070 145 HA2 GLY 23 HA2 GLY 23 21.337 16.013 11.329 146 HA3 GLY 23 HA3 GLY 23 21.737 15.521 9.690 147 HA PRO 24 HA PRO 24 20.749 13.751 9.465 148 HB2 PRO 24 HB2 PRO 24 19.371 11.638 10.469 149 HB3 PRO 24 HB3 PRO 24 20.721 11.457 9.343 150 HG2 PRO 24 HG2 PRO 24 20.687 11.167 12.322 151 HG3 PRO 24 HG3 PRO 24 21.487 10.152 11.108 152 HD2 PRO 24 HD2 PRO 24 22.816 12.018 12.551 153 HD3 PRO 24 HD3 PRO 24 23.266 11.601 10.885 154 H SER 25 H SER 25 18.929 14.911 9.693 155 HA SER 25 HA SER 25 18.241 16.091 12.155 156 HB2 SER 25 HB2 SER 25 16.031 16.571 10.712 157 HB3 SER 25 HB3 SER 25 17.542 17.439 10.444 158 HG SER 25 HG SER 25 16.473 16.474 8.541 159 HA PRO 26 HA PRO 26 15.368 13.367 14.043 160 HB2 PRO 26 HB2 PRO 26 13.375 15.023 14.854 161 HB3 PRO 26 HB3 PRO 26 14.971 14.996 15.614 162 HG2 PRO 26 HG2 PRO 26 13.880 16.889 13.567 163 HG3 PRO 26 HG3 PRO 26 14.847 17.239 15.012 164 HD2 PRO 26 HD2 PRO 26 15.922 17.135 12.529 165 HD3 PRO 26 HD3 PRO 26 16.826 16.660 13.981 166 H GLN 27 H GLN 27 13.736 15.695 11.897 167 HA GLN 27 HA GLN 27 11.420 14.133 11.489 168 HB2 GLN 27 HB2 GLN 27 12.641 16.298 9.770 169 HB3 GLN 27 HB3 GLN 27 11.034 15.625 9.536 170 HG2 GLN 27 HG2 GLN 27 10.205 16.596 11.472 171 HG3 GLN 27 HG3 GLN 27 11.812 16.835 12.156 172 HE21 GLN 27 HE21 GLN 27 9.902 18.845 12.052 173 HE22 GLN 27 HE22 GLN 27 10.444 20.077 10.969 174 H CYS 28 H CYS 28 14.526 14.277 9.861 175 HA CYS 28 HA CYS 28 13.829 12.774 7.577 176 HB2 CYS 28 HB2 CYS 28 15.845 13.998 7.454 177 HB3 CYS 28 HB3 CYS 28 16.444 13.322 8.965 178 H CYS 29 H CYS 29 15.400 11.797 10.621 179 HA CYS 29 HA CYS 29 15.716 9.102 10.106 180 HB2 CYS 29 HB2 CYS 29 15.156 10.581 12.673 181 HB3 CYS 29 HB3 CYS 29 15.443 8.844 12.641 182 H GLY 30 H GLY 30 12.912 10.704 11.614 183 HA2 GLY 30 HA2 GLY 30 11.325 8.480 12.061 184 HA3 GLY 30 HA3 GLY 30 10.702 10.085 11.708 185 H GLY 31 H GLY 31 11.494 10.465 9.110 186 HA2 GLY 31 HA2 GLY 31 9.531 8.990 7.697 187 HA3 GLY 31 HA3 GLY 31 10.717 10.073 6.984 188 H VAL 32 H VAL 32 13.061 8.753 7.817 189 HA VAL 32 HA VAL 32 13.462 6.943 5.752 190 HB VAL 32 HB VAL 32 14.968 7.103 8.368 191 HG11 VAL 32 HG11 VAL 32 16.840 6.210 6.843 192 HG12 VAL 32 HG12 VAL 32 15.624 5.074 7.430 193 HG13 VAL 32 HG13 VAL 32 15.529 5.696 5.782 194 HG21 VAL 32 HG21 VAL 32 14.782 8.904 6.155 195 HG22 VAL 32 HG22 VAL 32 15.723 9.061 7.638 196 HG23 VAL 32 HG23 VAL 32 16.415 8.244 6.236 197 H LYS 33 H LYS 33 13.149 6.164 9.222 198 HA LYS 33 HA LYS 33 13.069 3.392 8.936 199 HB2 LYS 33 HB2 LYS 33 12.064 5.282 11.037 200 HB3 LYS 33 HB3 LYS 33 11.714 3.563 11.160 201 HG2 LYS 33 HG2 LYS 33 14.049 3.029 11.232 202 HG3 LYS 33 HG3 LYS 33 14.486 4.708 10.906 203 HD2 LYS 33 HD2 LYS 33 14.347 5.231 13.067 204 HD3 LYS 33 HD3 LYS 33 12.733 4.528 13.190 205 HE2 LYS 33 HE2 LYS 33 13.901 2.269 13.298 206 HE3 LYS 33 HE3 LYS 33 15.394 3.173 13.547 207 HZ1 LYS 33 HZ1 LYS 33 14.050 2.372 15.578 208 HZ2 LYS 33 HZ2 LYS 33 13.053 3.698 15.254 209 HZ3 LYS 33 HZ3 LYS 33 14.693 3.937 15.590 210 H LYS 34 H LYS 34 10.658 5.777 8.313 211 HA LYS 34 HA LYS 34 8.387 4.053 8.486 212 HB2 LYS 34 HB2 LYS 34 8.517 6.659 8.541 213 HB3 LYS 34 HB3 LYS 34 8.457 6.525 6.789 214 HG2 LYS 34 HG2 LYS 34 6.241 6.717 7.188 215 HG3 LYS 34 HG3 LYS 34 6.384 4.967 7.373 216 HD2 LYS 34 HD2 LYS 34 6.037 5.042 9.609 217 HD3 LYS 34 HD3 LYS 34 6.892 6.575 9.797 218 HE2 LYS 34 HE2 LYS 34 4.768 7.287 10.208 219 HE3 LYS 34 HE3 LYS 34 4.797 7.483 8.456 220 HZ1 LYS 34 HZ1 LYS 34 3.284 5.884 8.182 221 HZ2 LYS 34 HZ2 LYS 34 2.942 6.088 9.826 222 HZ3 LYS 34 HZ3 LYS 34 3.991 4.858 9.326 223 H LEU 35 H LEU 35 10.488 5.150 5.863 224 HA LEU 35 HA LEU 35 9.023 3.987 3.750 225 HB2 LEU 35 HB2 LEU 35 10.831 5.735 3.581 226 HB3 LEU 35 HB3 LEU 35 11.998 4.436 3.818 227 HG LEU 35 HG LEU 35 10.019 4.345 1.565 228 HD11 LEU 35 HD11 LEU 35 12.137 5.223 0.269 229 HD12 LEU 35 HD12 LEU 35 12.470 6.009 1.812 230 HD13 LEU 35 HD13 LEU 35 10.959 6.337 0.964 231 HD21 LEU 35 HD21 LEU 35 12.505 2.934 2.361 232 HD22 LEU 35 HD22 LEU 35 12.217 3.184 0.639 233 HD23 LEU 35 HD23 LEU 35 11.035 2.309 1.614 234 H LEU 36 H LEU 36 11.591 2.769 5.832 235 HA LEU 36 HA LEU 36 11.823 0.281 4.399 236 HB2 LEU 36 HB2 LEU 36 12.881 1.030 7.119 237 HB3 LEU 36 HB3 LEU 36 13.369 -0.361 6.154 238 HG LEU 36 HG LEU 36 13.785 2.475 5.238 239 HD11 LEU 36 HD11 LEU 36 15.040 2.443 7.200 240 HD12 LEU 36 HD12 LEU 36 16.198 1.977 5.954 241 HD13 LEU 36 HD13 LEU 36 15.487 0.748 7.000 242 HD21 LEU 36 HD21 LEU 36 15.020 -0.158 4.439 243 HD22 LEU 36 HD22 LEU 36 15.480 1.423 3.805 244 HD23 LEU 36 HD23 LEU 36 13.864 0.785 3.498 245 H ALA 37 H ALA 37 9.999 1.512 7.080 246 HA ALA 37 HA ALA 37 9.270 -1.064 8.130 247 HB1 ALA 37 HB1 ALA 37 7.676 0.233 9.518 248 HB2 ALA 37 HB2 ALA 37 9.339 0.810 9.634 249 HB3 ALA 37 HB3 ALA 37 8.166 1.691 8.655 250 H ALA 38 H ALA 38 7.880 1.275 5.907 251 HA ALA 38 HA ALA 38 5.330 -0.015 5.734 252 HB1 ALA 38 HB1 ALA 38 6.659 2.079 4.026 253 HB2 ALA 38 HB2 ALA 38 5.020 1.487 3.752 254 HB3 ALA 38 HB3 ALA 38 5.419 2.316 5.257 255 H ALA 39 H ALA 39 8.367 -0.795 4.559 256 HA ALA 39 HA ALA 39 7.185 -2.495 2.462 257 HB1 ALA 39 HB1 ALA 39 10.011 -1.524 2.296 258 HB2 ALA 39 HB2 ALA 39 8.954 -2.114 1.012 259 HB3 ALA 39 HB3 ALA 39 8.680 -0.522 1.719 260 H ASN 40 H ASN 40 6.984 -4.123 4.122 261 HA ASN 40 HA ASN 40 9.360 -5.151 5.386 262 HB2 ASN 40 HB2 ASN 40 7.407 -5.373 6.689 263 HB3 ASN 40 HB3 ASN 40 6.475 -6.010 5.338 264 HD21 ASN 40 HD21 ASN 40 8.653 -6.725 7.897 265 HD22 ASN 40 HD22 ASN 40 8.650 -8.443 7.712 266 H THR 41 H THR 41 7.326 -5.995 2.650 267 HA THR 41 HA THR 41 8.747 -8.471 2.159 268 HB THR 41 HB THR 41 7.269 -8.797 0.294 269 HG1 THR 41 HG1 THR 41 5.707 -7.021 -0.141 270 HG21 THR 41 HG21 THR 41 5.392 -7.502 2.206 271 HG22 THR 41 HG22 THR 41 6.419 -8.805 2.804 272 HG23 THR 41 HG23 THR 41 5.319 -9.096 1.457 273 H THR 42 H THR 42 9.130 -8.680 -0.452 274 HA THR 42 HA THR 42 11.389 -6.945 -0.920 275 HB THR 42 HB THR 42 10.468 -8.843 -3.020 276 HG1 THR 42 HG1 THR 42 11.643 -9.680 -0.558 277 HG21 THR 42 HG21 THR 42 12.581 -7.455 -3.110 278 HG22 THR 42 HG22 THR 42 12.795 -9.189 -3.350 279 HG23 THR 42 HG23 THR 42 13.193 -8.458 -1.795 280 HA PRO 43 HA PRO 43 8.441 -6.091 -4.861 281 HB2 PRO 43 HB2 PRO 43 5.965 -6.159 -3.199 282 HB3 PRO 43 HB3 PRO 43 6.197 -6.610 -4.892 283 HG2 PRO 43 HG2 PRO 43 5.973 -8.464 -2.970 284 HG3 PRO 43 HG3 PRO 43 7.050 -8.690 -4.361 285 HD2 PRO 43 HD2 PRO 43 7.698 -8.085 -1.543 286 HD3 PRO 43 HD3 PRO 43 8.643 -8.955 -2.768 287 H ASP 44 H ASP 44 7.273 -5.108 -1.633 288 HA ASP 44 HA ASP 44 6.728 -2.435 -2.349 289 HB2 ASP 44 HB2 ASP 44 6.978 -3.952 0.198 290 HB3 ASP 44 HB3 ASP 44 7.087 -2.196 0.290 291 H ARG 45 H ARG 45 9.557 -3.968 -0.867 292 HA ARG 45 HA ARG 45 11.021 -1.609 -0.404 293 HB2 ARG 45 HB2 ARG 45 11.655 -4.511 -0.568 294 HB3 ARG 45 HB3 ARG 45 12.997 -3.382 -0.693 295 HG2 ARG 45 HG2 ARG 45 12.318 -2.376 1.449 296 HG3 ARG 45 HG3 ARG 45 11.032 -3.577 1.579 297 HD2 ARG 45 HD2 ARG 45 12.907 -5.313 1.319 298 HD3 ARG 45 HD3 ARG 45 14.003 -3.981 1.683 299 HE ARG 45 HE ARG 45 11.940 -4.146 3.620 300 HH11 ARG 45 HH11 ARG 45 14.895 -5.680 2.602 301 HH12 ARG 45 HH12 ARG 45 15.280 -6.282 4.180 302 HH21 ARG 45 HH21 ARG 45 12.436 -4.933 5.703 303 HH22 ARG 45 HH22 ARG 45 13.879 -5.858 5.943 304 H GLN 46 H GLN 46 10.599 -3.602 -3.241 305 HA GLN 46 HA GLN 46 12.778 -2.581 -4.737 306 HB2 GLN 46 HB2 GLN 46 10.335 -4.169 -5.326 307 HB3 GLN 46 HB3 GLN 46 11.113 -3.359 -6.680 308 HG2 GLN 46 HG2 GLN 46 13.150 -4.531 -6.313 309 HG3 GLN 46 HG3 GLN 46 12.565 -5.182 -4.783 310 HE21 GLN 46 HE21 GLN 46 10.840 -6.725 -4.845 311 HE22 GLN 46 HE22 GLN 46 10.627 -7.730 -6.233 312 H ALA 47 H ALA 47 9.350 -1.698 -4.559 313 HA ALA 47 HA ALA 47 9.347 0.250 -6.569 314 HB1 ALA 47 HB1 ALA 47 7.637 0.628 -4.163 315 HB2 ALA 47 HB2 ALA 47 7.232 0.773 -5.874 316 HB3 ALA 47 HB3 ALA 47 7.410 -0.822 -5.142 317 H ALA 48 H ALA 48 9.700 0.667 -3.043 318 HA ALA 48 HA ALA 48 10.120 3.423 -3.047 319 HB1 ALA 48 HB1 ALA 48 11.433 1.554 -1.095 320 HB2 ALA 48 HB2 ALA 48 10.859 3.200 -0.826 321 HB3 ALA 48 HB3 ALA 48 9.702 1.891 -1.063 322 H CYS 49 H CYS 49 12.556 0.817 -2.971 323 HA CYS 49 HA CYS 49 14.855 2.302 -2.994 324 HB2 CYS 49 HB2 CYS 49 14.115 -0.369 -4.074 325 HB3 CYS 49 HB3 CYS 49 15.650 0.314 -4.599 326 H ASN 50 H ASN 50 12.733 1.574 -5.710 327 HA ASN 50 HA ASN 50 14.402 2.580 -7.750 328 HB2 ASN 50 HB2 ASN 50 11.385 2.368 -7.653 329 HB3 ASN 50 HB3 ASN 50 12.332 2.671 -9.106 330 HD21 ASN 50 HD21 ASN 50 10.532 0.484 -8.542 331 HD22 ASN 50 HD22 ASN 50 11.463 -0.966 -8.671 332 H CYS 51 H CYS 51 11.836 4.082 -5.821 333 HA CYS 51 HA CYS 51 11.999 6.610 -7.126 334 HB2 CYS 51 HB2 CYS 51 10.705 5.612 -4.609 335 HB3 CYS 51 HB3 CYS 51 10.774 7.340 -4.941 336 H LEU 52 H LEU 52 13.601 5.145 -4.389 337 HA LEU 52 HA LEU 52 14.715 7.580 -3.377 338 HB2 LEU 52 HB2 LEU 52 15.017 4.681 -2.817 339 HB3 LEU 52 HB3 LEU 52 16.321 5.751 -2.306 340 HG LEU 52 HG LEU 52 13.434 6.017 -1.469 341 HD11 LEU 52 HD11 LEU 52 14.407 4.009 -0.532 342 HD12 LEU 52 HD12 LEU 52 14.234 5.238 0.720 343 HD13 LEU 52 HD13 LEU 52 15.817 4.917 0.013 344 HD21 LEU 52 HD21 LEU 52 15.585 7.852 -1.417 345 HD22 LEU 52 HD22 LEU 52 15.302 7.321 0.241 346 HD23 LEU 52 HD23 LEU 52 13.983 8.022 -0.698 347 H LYS 53 H LYS 53 16.174 4.774 -5.031 348 HA LYS 53 HA LYS 53 18.720 5.758 -5.387 349 HB2 LYS 53 HB2 LYS 53 17.541 3.475 -6.081 350 HB3 LYS 53 HB3 LYS 53 17.494 4.261 -7.654 351 HG2 LYS 53 HG2 LYS 53 19.597 3.686 -8.009 352 HG3 LYS 53 HG3 LYS 53 20.099 4.602 -6.587 353 HD2 LYS 53 HD2 LYS 53 19.088 1.760 -6.537 354 HD3 LYS 53 HD3 LYS 53 20.791 2.224 -6.512 355 HE2 LYS 53 HE2 LYS 53 20.725 2.690 -4.330 356 HE3 LYS 53 HE3 LYS 53 19.237 3.621 -4.496 357 HZ1 LYS 53 HZ1 LYS 53 19.165 1.541 -3.065 358 HZ2 LYS 53 HZ2 LYS 53 19.221 0.666 -4.511 359 HZ3 LYS 53 HZ3 LYS 53 17.936 1.725 -4.213 360 H SER 54 H SER 54 15.867 6.298 -7.410 361 HA SER 54 HA SER 54 17.280 7.861 -9.350 362 HB2 SER 54 HB2 SER 54 15.255 6.644 -9.978 363 HB3 SER 54 HB3 SER 54 14.310 7.586 -8.825 364 HG SER 54 HG SER 54 14.541 9.367 -10.076 365 H ALA 55 H ALA 55 15.645 8.498 -6.357 366 HA ALA 55 HA ALA 55 15.232 11.285 -6.732 367 HB1 ALA 55 HB1 ALA 55 15.220 11.166 -4.108 368 HB2 ALA 55 HB2 ALA 55 13.902 10.473 -5.053 369 HB3 ALA 55 HB3 ALA 55 15.166 9.428 -4.405 370 H ALA 56 H ALA 56 17.775 9.405 -5.113 371 HA ALA 56 HA ALA 56 19.283 11.624 -4.236 372 HB1 ALA 56 HB1 ALA 56 20.281 8.842 -4.832 373 HB2 ALA 56 HB2 ALA 56 21.052 10.046 -3.798 374 HB3 ALA 56 HB3 ALA 56 19.509 9.336 -3.325 375 H GLY 57 H GLY 57 18.808 10.325 -7.332 376 HA2 GLY 57 HA2 GLY 57 21.288 10.725 -8.564 377 HA3 GLY 57 HA3 GLY 57 19.732 10.800 -9.378 378 H SER 58 H SER 58 19.060 13.025 -7.346 379 HA SER 58 HA SER 58 20.072 15.173 -9.035 380 HB2 SER 58 HB2 SER 58 17.604 14.820 -8.165 381 HB3 SER 58 HB3 SER 58 18.215 15.655 -6.737 382 HG SER 58 HG SER 58 18.322 16.616 -9.408 383 H ILE 59 H ILE 59 21.206 13.617 -6.426 384 HA ILE 59 HA ILE 59 22.020 15.896 -4.840 385 HB ILE 59 HB ILE 59 22.905 13.018 -4.609 386 HG12 ILE 59 HG12 ILE 59 20.693 14.510 -3.181 387 HG13 ILE 59 HG13 ILE 59 20.482 13.209 -4.347 388 HG21 ILE 59 HG21 ILE 59 24.427 14.576 -3.531 389 HG22 ILE 59 HG22 ILE 59 23.081 15.319 -2.669 390 HG23 ILE 59 HG23 ILE 59 23.536 13.651 -2.323 391 HD11 ILE 59 HD11 ILE 59 21.754 12.989 -1.630 392 HD12 ILE 59 HD12 ILE 59 20.172 12.376 -2.113 393 HD13 ILE 59 HD13 ILE 59 21.636 11.680 -2.806 394 H THR 60 H THR 60 23.659 17.144 -5.417 395 HA THR 60 HA THR 60 25.572 16.360 -7.392 396 HB THR 60 HB THR 60 24.929 18.674 -7.309 397 HG1 THR 60 HG1 THR 60 27.155 18.189 -7.823 398 HG21 THR 60 HG21 THR 60 24.546 19.753 -5.398 399 HG22 THR 60 HG22 THR 60 26.234 19.564 -4.922 400 HG23 THR 60 HG23 THR 60 25.057 18.317 -4.512 401 H LYS 61 H LYS 61 27.407 15.293 -7.093 402 HA LYS 61 HA LYS 61 29.202 14.306 -6.105 403 HB2 LYS 61 HB2 LYS 61 28.979 16.885 -4.591 404 HB3 LYS 61 HB3 LYS 61 30.176 15.688 -4.114 405 HG2 LYS 61 HG2 LYS 61 30.725 15.782 -6.714 406 HG3 LYS 61 HG3 LYS 61 30.058 17.405 -6.520 407 HD2 LYS 61 HD2 LYS 61 31.747 18.077 -5.115 408 HD3 LYS 61 HD3 LYS 61 32.074 16.437 -4.549 409 HE2 LYS 61 HE2 LYS 61 33.398 15.934 -6.355 410 HE3 LYS 61 HE3 LYS 61 32.588 17.092 -7.409 411 HZ1 LYS 61 HZ1 LYS 61 33.777 18.857 -6.511 412 HZ2 LYS 61 HZ2 LYS 61 34.937 17.631 -6.625 413 HZ3 LYS 61 HZ3 LYS 61 34.235 17.994 -5.130 414 H LEU 62 H LEU 62 26.908 13.108 -5.403 415 HA LEU 62 HA LEU 62 26.152 12.945 -2.763 416 HB2 LEU 62 HB2 LEU 62 24.940 11.777 -4.460 417 HB3 LEU 62 HB3 LEU 62 26.341 10.781 -4.847 418 HG LEU 62 HG LEU 62 26.020 10.057 -2.299 419 HD11 LEU 62 HD11 LEU 62 23.162 10.128 -2.968 420 HD12 LEU 62 HD12 LEU 62 23.869 11.685 -2.538 421 HD13 LEU 62 HD13 LEU 62 23.975 10.329 -1.415 422 HD21 LEU 62 HD21 LEU 62 25.925 8.191 -3.509 423 HD22 LEU 62 HD22 LEU 62 25.203 9.027 -4.884 424 HD23 LEU 62 HD23 LEU 62 24.179 8.433 -3.576 425 H ASN 63 H ASN 63 26.875 11.931 -0.947 426 HA ASN 63 HA ASN 63 29.585 10.795 -1.093 427 HB2 ASN 63 HB2 ASN 63 28.895 12.888 0.379 428 HB3 ASN 63 HB3 ASN 63 28.364 11.638 1.499 429 HD21 ASN 63 HD21 ASN 63 30.770 13.643 1.020 430 HD22 ASN 63 HD22 ASN 63 32.115 12.705 1.565 431 H THR 64 H THR 64 29.391 8.643 -1.293 432 HA THR 64 HA THR 64 27.317 7.025 -0.440 433 HB THR 64 HB THR 64 28.995 5.145 -0.483 434 HG1 THR 64 HG1 THR 64 30.700 7.351 -0.649 435 HG21 THR 64 HG21 THR 64 29.653 6.380 -2.995 436 HG22 THR 64 HG22 THR 64 27.973 6.714 -2.575 437 HG23 THR 64 HG23 THR 64 28.546 5.048 -2.664 438 H ASN 65 H ASN 65 30.141 8.144 1.330 439 HA ASN 65 HA ASN 65 29.864 6.437 3.565 440 HB2 ASN 65 HB2 ASN 65 31.209 9.113 3.195 441 HB3 ASN 65 HB3 ASN 65 31.246 8.240 4.725 442 HD21 ASN 65 HD21 ASN 65 32.849 6.871 5.027 443 HD22 ASN 65 HD22 ASN 65 33.861 6.207 3.794 444 H ASN 66 H ASN 66 28.697 9.720 2.907 445 HA ASN 66 HA ASN 66 27.491 10.108 5.440 446 HB2 ASN 66 HB2 ASN 66 26.827 11.426 2.797 447 HB3 ASN 66 HB3 ASN 66 26.357 12.012 4.390 448 HD21 ASN 66 HD21 ASN 66 27.626 13.767 2.934 449 HD22 ASN 66 HD22 ASN 66 29.271 13.964 3.426 450 H ALA 67 H ALA 67 26.303 8.870 2.356 451 HA ALA 67 HA ALA 67 23.577 8.755 2.956 452 HB1 ALA 67 HB1 ALA 67 23.784 6.673 1.311 453 HB2 ALA 67 HB2 ALA 67 23.905 8.341 0.748 454 HB3 ALA 67 HB3 ALA 67 25.368 7.396 1.027 455 H ALA 68 H ALA 68 26.184 6.473 3.639 456 HA ALA 68 HA ALA 68 24.443 4.464 4.713 457 HB1 ALA 68 HB1 ALA 68 26.794 3.688 5.661 458 HB2 ALA 68 HB2 ALA 68 26.350 3.468 3.967 459 HB3 ALA 68 HB3 ALA 68 27.377 4.821 4.441 460 H ALA 69 H ALA 69 26.119 7.239 5.959 461 HA ALA 69 HA ALA 69 26.028 6.481 8.712 462 HB1 ALA 69 HB1 ALA 69 26.837 8.645 9.190 463 HB2 ALA 69 HB2 ALA 69 27.593 8.174 7.667 464 HB3 ALA 69 HB3 ALA 69 26.229 9.293 7.666 465 H LEU 70 H LEU 70 23.842 8.073 6.514 466 HA LEU 70 HA LEU 70 22.164 9.419 8.257 467 HB2 LEU 70 HB2 LEU 70 21.634 9.829 6.078 468 HB3 LEU 70 HB3 LEU 70 21.841 8.146 5.597 469 HG LEU 70 HG LEU 70 19.671 7.592 6.565 470 HD11 LEU 70 HD11 LEU 70 19.266 10.527 7.069 471 HD12 LEU 70 HD12 LEU 70 19.802 9.408 8.321 472 HD13 LEU 70 HD13 LEU 70 18.234 9.180 7.548 473 HD21 LEU 70 HD21 LEU 70 19.165 10.002 4.877 474 HD22 LEU 70 HD22 LEU 70 18.405 8.412 4.823 475 HD23 LEU 70 HD23 LEU 70 20.041 8.629 4.200 476 HA PRO 71 HA PRO 71 19.544 5.389 8.765 477 HB2 PRO 71 HB2 PRO 71 20.642 3.073 7.870 478 HB3 PRO 71 HB3 PRO 71 19.633 4.113 6.857 479 HG2 PRO 71 HG2 PRO 71 22.617 3.906 6.978 480 HG3 PRO 71 HG3 PRO 71 21.561 4.029 5.559 481 HD2 PRO 71 HD2 PRO 71 22.912 6.152 6.558 482 HD3 PRO 71 HD3 PRO 71 21.327 6.312 5.775 483 H GLY 72 H GLY 72 23.058 4.905 8.901 484 HA2 GLY 72 HA2 GLY 72 23.089 3.108 11.068 485 HA3 GLY 72 HA3 GLY 72 24.426 4.136 10.575 486 H LYS 73 H LYS 73 23.431 6.647 11.007 487 HA LYS 73 HA LYS 73 23.636 6.839 13.858 488 HB2 LYS 73 HB2 LYS 73 23.411 8.796 11.603 489 HB3 LYS 73 HB3 LYS 73 23.144 9.348 13.252 490 HG2 LYS 73 HG2 LYS 73 25.369 9.759 13.075 491 HG3 LYS 73 HG3 LYS 73 25.435 8.095 13.662 492 HD2 LYS 73 HD2 LYS 73 25.759 7.266 11.425 493 HD3 LYS 73 HD3 LYS 73 25.516 8.879 10.749 494 HE2 LYS 73 HE2 LYS 73 27.893 8.257 10.849 495 HE3 LYS 73 HE3 LYS 73 27.531 9.670 11.839 496 HZ1 LYS 73 HZ1 LYS 73 29.008 7.967 12.890 497 HZ2 LYS 73 HZ2 LYS 73 27.679 6.922 12.940 498 HZ3 LYS 73 HZ3 LYS 73 27.642 8.380 13.798 499 H CYS 74 H CYS 74 21.052 6.704 11.591 500 HA CYS 74 HA CYS 74 19.104 7.919 13.349 501 HB2 CYS 74 HB2 CYS 74 19.057 6.720 10.612 502 HB3 CYS 74 HB3 CYS 74 17.542 6.855 11.499 503 H GLY 75 H GLY 75 20.669 5.081 13.482 504 HA2 GLY 75 HA2 GLY 75 20.282 3.157 14.682 505 HA3 GLY 75 HA3 GLY 75 18.806 3.904 15.274 506 H VAL 76 H VAL 76 19.365 3.541 11.861 507 HA VAL 76 HA VAL 76 17.730 1.126 11.740 508 HB VAL 76 HB VAL 76 16.027 2.796 11.617 509 HG11 VAL 76 HG11 VAL 76 16.684 4.859 11.065 510 HG12 VAL 76 HG12 VAL 76 18.055 4.264 10.126 511 HG13 VAL 76 HG13 VAL 76 16.453 4.349 9.392 512 HG21 VAL 76 HG21 VAL 76 16.511 2.143 8.733 513 HG22 VAL 76 HG22 VAL 76 16.127 0.876 9.898 514 HG23 VAL 76 HG23 VAL 76 14.988 2.194 9.622 515 H ASN 77 H ASN 77 19.687 0.178 10.987 516 HA ASN 77 HA ASN 77 20.791 1.141 8.475 517 HB2 ASN 77 HB2 ASN 77 22.360 -0.846 8.806 518 HB3 ASN 77 HB3 ASN 77 22.454 0.439 10.007 519 HD21 ASN 77 HD21 ASN 77 23.338 -0.969 11.524 520 HD22 ASN 77 HD22 ASN 77 22.380 -2.156 12.335 521 H ILE 78 H ILE 78 20.772 0.006 6.544 522 HA ILE 78 HA ILE 78 18.769 -2.149 6.390 523 HB ILE 78 HB ILE 78 18.671 -1.492 3.924 524 HG12 ILE 78 HG12 ILE 78 20.817 -0.005 4.353 525 HG13 ILE 78 HG13 ILE 78 19.601 0.478 3.176 526 HG21 ILE 78 HG21 ILE 78 17.634 0.172 6.185 527 HG22 ILE 78 HG22 ILE 78 17.245 0.582 4.515 528 HG23 ILE 78 HG23 ILE 78 16.779 -0.988 5.169 529 HD11 ILE 78 HD11 ILE 78 19.346 1.433 5.980 530 HD12 ILE 78 HD12 ILE 78 20.537 2.182 4.915 531 HD13 ILE 78 HD13 ILE 78 18.830 2.193 4.474 532 HA PRO 79 HA PRO 79 21.761 -4.986 4.884 533 HB2 PRO 79 HB2 PRO 79 20.301 -6.421 3.102 534 HB3 PRO 79 HB3 PRO 79 20.087 -6.559 4.851 535 HG2 PRO 79 HG2 PRO 79 18.481 -5.000 2.864 536 HG3 PRO 79 HG3 PRO 79 17.921 -5.994 4.221 537 HD2 PRO 79 HD2 PRO 79 18.066 -3.293 4.355 538 HD3 PRO 79 HD3 PRO 79 18.331 -4.335 5.768 539 H TYR 80 H TYR 80 20.219 -2.781 2.740 540 HA TYR 80 HA TYR 80 22.244 -3.334 0.672 541 HB2 TYR 80 HB2 TYR 80 20.687 -2.273 -0.930 542 HB3 TYR 80 HB3 TYR 80 19.986 -3.693 -0.162 543 HD1 TYR 80 HD2 TYR 80 18.284 -3.393 1.646 544 HD2 TYR 80 HD1 TYR 80 19.691 -0.132 -0.696 545 HE1 TYR 80 HE2 TYR 80 16.336 -2.061 2.341 546 HE2 TYR 80 HE1 TYR 80 17.748 1.209 -0.007 547 HH TYR 80 HH TYR 80 15.030 -0.045 1.331 548 H LYS 81 H LYS 81 22.844 -1.363 -0.626 549 HA LYS 81 HA LYS 81 23.323 0.866 1.222 550 HB2 LYS 81 HB2 LYS 81 25.160 -0.482 -0.132 551 HB3 LYS 81 HB3 LYS 81 24.717 0.645 -1.408 552 HG2 LYS 81 HG2 LYS 81 25.950 2.238 -0.494 553 HG3 LYS 81 HG3 LYS 81 25.103 2.070 1.046 554 HD2 LYS 81 HD2 LYS 81 26.677 0.645 1.911 555 HD3 LYS 81 HD3 LYS 81 27.154 0.035 0.325 556 HE2 LYS 81 HE2 LYS 81 28.381 2.029 -0.149 557 HE3 LYS 81 HE3 LYS 81 27.743 2.828 1.287 558 HZ1 LYS 81 HZ1 LYS 81 29.562 0.480 1.261 559 HZ2 LYS 81 HZ2 LYS 81 28.920 1.198 2.651 560 HZ3 LYS 81 HZ3 LYS 81 29.988 2.066 1.667 561 H ILE 82 H ILE 82 23.601 3.040 -0.006 562 HA ILE 82 HA ILE 82 21.344 3.342 -1.878 563 HB ILE 82 HB ILE 82 22.251 5.317 0.219 564 HG12 ILE 82 HG12 ILE 82 19.734 4.840 0.895 565 HG13 ILE 82 HG13 ILE 82 20.042 3.310 0.080 566 HG21 ILE 82 HG21 ILE 82 21.460 6.686 -1.446 567 HG22 ILE 82 HG22 ILE 82 20.316 5.483 -2.040 568 HG23 ILE 82 HG23 ILE 82 19.976 6.362 -0.550 569 HD11 ILE 82 HD11 ILE 82 22.226 3.536 1.689 570 HD12 ILE 82 HD12 ILE 82 20.964 4.280 2.671 571 HD13 ILE 82 HD13 ILE 82 20.762 2.633 2.076 572 H SER 83 H SER 83 22.451 3.408 -3.782 573 HA SER 83 HA SER 83 24.031 5.798 -4.269 574 HB2 SER 83 HB2 SER 83 25.929 4.565 -3.897 575 HB3 SER 83 HB3 SER 83 25.142 3.036 -4.292 576 HG SER 83 HG SER 83 26.047 3.235 -6.167 577 H THR 84 H THR 84 24.366 6.209 -6.560 578 HA THR 84 HA THR 84 22.038 5.670 -8.083 579 HB THR 84 HB THR 84 23.562 6.653 -9.987 580 HG1 THR 84 HG1 THR 84 25.290 7.867 -9.121 581 HG21 THR 84 HG21 THR 84 22.885 8.824 -9.379 582 HG22 THR 84 HG22 THR 84 22.959 8.455 -7.656 583 HG23 THR 84 HG23 THR 84 21.683 7.758 -8.654 584 H THR 85 H THR 85 24.841 3.866 -7.562 585 HA THR 85 HA THR 85 24.408 2.319 -10.033 586 HB THR 85 HB THR 85 26.686 1.524 -9.874 587 HG1 THR 85 HG1 THR 85 27.286 3.233 -7.734 588 HG21 THR 85 HG21 THR 85 26.435 4.515 -9.563 589 HG22 THR 85 HG22 THR 85 26.471 3.588 -11.064 590 HG23 THR 85 HG23 THR 85 27.918 3.703 -10.063 591 H THR 86 H THR 86 23.016 2.142 -7.385 592 HA THR 86 HA THR 86 23.805 -0.568 -6.569 593 HB THR 86 HB THR 86 22.078 1.483 -5.175 594 HG1 THR 86 HG1 THR 86 24.603 1.341 -5.209 595 HG21 THR 86 HG21 THR 86 22.377 -0.339 -3.286 596 HG22 THR 86 HG22 THR 86 22.496 -1.425 -4.671 597 HG23 THR 86 HG23 THR 86 21.053 -0.437 -4.446 598 H ASN 87 H ASN 87 22.374 -2.269 -6.605 599 HA ASN 87 HA ASN 87 19.811 -1.768 -7.972 600 HB2 ASN 87 HB2 ASN 87 21.432 -2.980 -9.391 601 HB3 ASN 87 HB3 ASN 87 21.553 -4.236 -8.163 602 HD21 ASN 87 HD21 ASN 87 20.908 -5.136 -10.514 603 HD22 ASN 87 HD22 ASN 87 19.227 -5.511 -10.645 604 H CYS 88 H CYS 88 18.309 -1.835 -6.413 605 HA CYS 88 HA CYS 88 18.516 -3.498 -4.101 606 HB2 CYS 88 HB2 CYS 88 16.521 -1.584 -5.198 607 HB3 CYS 88 HB3 CYS 88 15.943 -2.770 -4.032 608 H ASN 89 H ASN 89 17.196 -3.881 -7.269 609 HA ASN 89 HA ASN 89 15.300 -5.899 -6.745 610 HB2 ASN 89 HB2 ASN 89 15.729 -4.503 -8.906 611 HB3 ASN 89 HB3 ASN 89 16.862 -5.791 -9.307 612 HD21 ASN 89 HD21 ASN 89 15.934 -8.034 -9.098 613 HD22 ASN 89 HD22 ASN 89 14.328 -8.266 -9.693 614 H THR 90 H THR 90 18.736 -5.928 -6.848 615 HA THR 90 HA THR 90 18.858 -8.833 -7.134 616 HB THR 90 HB THR 90 21.425 -8.203 -6.756 617 HG1 THR 90 HG1 THR 90 21.849 -6.144 -7.596 618 HG21 THR 90 HG21 THR 90 20.476 -9.285 -8.747 619 HG22 THR 90 HG22 THR 90 21.662 -8.055 -9.183 620 HG23 THR 90 HG23 THR 90 19.939 -7.714 -9.341 621 H VAL 91 H VAL 91 17.855 -7.218 -4.722 622 HA VAL 91 HA VAL 91 19.719 -8.133 -2.665 623 HB VAL 91 HB VAL 91 17.202 -6.480 -2.415 624 HG11 VAL 91 HG11 VAL 91 17.348 -7.372 -0.317 625 HG12 VAL 91 HG12 VAL 91 19.094 -7.609 -0.419 626 HG13 VAL 91 HG13 VAL 91 18.438 -5.997 -0.131 627 HG21 VAL 91 HG21 VAL 91 18.548 -4.579 -2.277 628 HG22 VAL 91 HG22 VAL 91 20.011 -5.520 -1.986 629 HG23 VAL 91 HG23 VAL 91 19.274 -5.509 -3.588 630 H LYS 92 H LYS 92 19.334 -9.803 -1.326 631 HA LYS 92 HA LYS 92 16.990 -11.448 -1.867 632 HB2 LYS 92 HB2 LYS 92 19.613 -11.911 -0.484 633 HB3 LYS 92 HB3 LYS 92 18.269 -13.015 -0.224 634 HG2 LYS 92 HG2 LYS 92 18.352 -13.844 -2.346 635 HG3 LYS 92 HG3 LYS 92 19.013 -12.353 -3.022 636 HD2 LYS 92 HD2 LYS 92 20.732 -13.775 -1.087 637 HD3 LYS 92 HD3 LYS 92 20.464 -14.589 -2.630 638 HE2 LYS 92 HE2 LYS 92 21.691 -13.089 -3.772 639 HE3 LYS 92 HE3 LYS 92 21.069 -11.726 -2.844 640 HZ1 LYS 92 HZ1 LYS 92 22.739 -13.372 -1.242 641 HZ2 LYS 92 HZ2 LYS 92 22.881 -11.723 -1.589 642 HZ3 LYS 92 HZ3 LYS 92 23.562 -12.869 -2.631 643 H PHE 93 H PHE 93 15.220 -11.097 -0.708 644 HA PHE 93 HA PHE 93 13.826 -10.538 1.004 645 HB2 PHE 93 HB2 PHE 93 15.981 -12.169 2.251 646 HB3 PHE 93 HB3 PHE 93 14.866 -11.337 3.330 647 HD1 PHE 93 HD2 PHE 93 14.940 -13.630 0.405 648 HD2 PHE 93 HD1 PHE 93 12.823 -12.293 3.847 649 HE1 PHE 93 HE2 PHE 93 13.299 -15.435 0.092 650 HE2 PHE 93 HE1 PHE 93 11.179 -14.098 3.540 651 HZ PHE 93 HZ PHE 93 11.415 -15.671 1.660 Start of MODEL 6 1 H1 ALA 1 H ALA 1 0.574 0.201 0.738 2 HA ALA 1 HA ALA 1 2.687 -0.507 0.136 3 HB1 ALA 1 HB1 ALA 1 1.639 -0.316 -2.685 4 HB2 ALA 1 HB2 ALA 1 3.246 -0.894 -2.241 5 HB3 ALA 1 HB3 ALA 1 1.814 -1.780 -1.716 6 H ILE 2 H ILE 2 4.657 0.487 -0.798 7 HA ILE 2 HA ILE 2 4.566 3.329 -0.472 8 HB ILE 2 HB ILE 2 6.846 1.527 -1.295 9 HG12 ILE 2 HG12 ILE 2 7.528 2.296 1.142 10 HG13 ILE 2 HG13 ILE 2 5.791 2.520 1.320 11 HG21 ILE 2 HG21 ILE 2 7.582 3.562 -2.059 12 HG22 ILE 2 HG22 ILE 2 6.666 4.467 -0.854 13 HG23 ILE 2 HG23 ILE 2 8.140 3.619 -0.387 14 HD11 ILE 2 HD11 ILE 2 5.356 0.248 1.006 15 HD12 ILE 2 HD12 ILE 2 6.957 -0.055 0.330 16 HD13 ILE 2 HD13 ILE 2 6.777 0.295 2.049 17 H SER 3 H SER 3 4.099 4.755 -1.997 18 HA SER 3 HA SER 3 4.255 3.964 -4.805 19 HB2 SER 3 HB2 SER 3 2.155 4.920 -4.318 20 HB3 SER 3 HB3 SER 3 2.870 6.210 -3.351 21 HG SER 3 HG SER 3 3.561 7.207 -5.188 22 H CYS 4 H CYS 4 4.770 7.125 -3.265 23 HA CYS 4 HA CYS 4 7.518 7.323 -3.811 24 HB2 CYS 4 HB2 CYS 4 6.062 7.493 -6.142 25 HB3 CYS 4 HB3 CYS 4 6.270 9.184 -5.699 26 H GLY 5 H GLY 5 4.454 9.083 -3.620 27 HA2 GLY 5 HA2 GLY 5 5.391 11.576 -2.830 28 HA3 GLY 5 HA3 GLY 5 3.837 10.901 -2.362 29 H ALA 6 H ALA 6 5.172 8.622 -0.995 30 HA ALA 6 HA ALA 6 5.506 9.924 1.557 31 HB1 ALA 6 HB1 ALA 6 4.366 7.995 1.919 32 HB2 ALA 6 HB2 ALA 6 5.181 7.136 0.612 33 HB3 ALA 6 HB3 ALA 6 6.002 7.378 2.154 34 H VAL 7 H VAL 7 7.539 8.410 -0.848 35 HA VAL 7 HA VAL 7 9.857 8.202 0.817 36 HB VAL 7 HB VAL 7 9.786 8.249 -2.199 37 HG11 VAL 7 HG11 VAL 7 11.899 8.101 -0.354 38 HG12 VAL 7 HG12 VAL 7 11.705 6.477 -1.020 39 HG13 VAL 7 HG13 VAL 7 11.968 7.849 -2.098 40 HG21 VAL 7 HG21 VAL 7 8.196 6.595 -1.320 41 HG22 VAL 7 HG22 VAL 7 9.567 5.830 -2.124 42 HG23 VAL 7 HG23 VAL 7 9.489 5.874 -0.362 43 H THR 8 H THR 8 8.751 10.490 -1.653 44 HA THR 8 HA THR 8 11.062 12.128 -1.592 45 HB THR 8 HB THR 8 8.297 13.065 -2.351 46 HG1 THR 8 HG1 THR 8 8.938 12.294 -4.488 47 HG21 THR 8 HG21 THR 8 9.350 14.904 -3.036 48 HG22 THR 8 HG22 THR 8 10.406 13.938 -4.067 49 HG23 THR 8 HG23 THR 8 10.862 14.261 -2.395 50 H SER 9 H SER 9 8.322 11.852 0.472 51 HA SER 9 HA SER 9 8.289 14.460 1.556 52 HB2 SER 9 HB2 SER 9 6.607 12.422 1.789 53 HB3 SER 9 HB3 SER 9 7.544 12.115 3.251 54 HG SER 9 HG SER 9 6.573 13.733 4.159 55 H ASP 10 H ASP 10 9.740 11.448 2.788 56 HA ASP 10 HA ASP 10 11.094 12.789 4.926 57 HB2 ASP 10 HB2 ASP 10 11.861 10.066 3.917 58 HB3 ASP 10 HB3 ASP 10 11.878 10.682 5.567 59 H LEU 11 H LEU 11 11.782 12.149 1.620 60 HA LEU 11 HA LEU 11 14.620 12.216 1.761 61 HB2 LEU 11 HB2 LEU 11 12.611 12.556 -0.429 62 HB3 LEU 11 HB3 LEU 11 14.315 12.891 -0.727 63 HG LEU 11 HG LEU 11 13.381 10.244 0.349 64 HD11 LEU 11 HD11 LEU 11 13.319 11.282 -2.440 65 HD12 LEU 11 HD12 LEU 11 12.209 10.188 -1.616 66 HD13 LEU 11 HD13 LEU 11 13.779 9.602 -2.164 67 HD21 LEU 11 HD21 LEU 11 15.595 9.904 -1.250 68 HD22 LEU 11 HD22 LEU 11 15.593 9.998 0.511 69 HD23 LEU 11 HD23 LEU 11 15.910 11.443 -0.449 70 H SER 12 H SER 12 12.128 14.662 1.434 71 HA SER 12 HA SER 12 13.627 16.831 0.585 72 HB2 SER 12 HB2 SER 12 11.403 17.380 0.668 73 HB3 SER 12 HB3 SER 12 11.132 16.499 2.172 74 HG SER 12 HG SER 12 11.027 18.785 2.437 75 HA PRO 13 HA PRO 13 14.617 17.880 5.198 76 HB2 PRO 13 HB2 PRO 13 14.067 15.974 7.051 77 HB3 PRO 13 HB3 PRO 13 12.901 17.212 6.571 78 HG2 PRO 13 HG2 PRO 13 13.118 14.364 5.674 79 HG3 PRO 13 HG3 PRO 13 11.671 15.293 6.107 80 HD2 PRO 13 HD2 PRO 13 12.406 14.854 3.538 81 HD3 PRO 13 HD3 PRO 13 11.572 16.335 4.053 82 H CYS 14 H CYS 14 15.038 14.651 3.953 83 HA CYS 14 HA CYS 14 17.464 14.158 5.446 84 HB2 CYS 14 HB2 CYS 14 15.943 12.648 3.338 85 HB3 CYS 14 HB3 CYS 14 17.565 12.150 3.809 86 H LEU 15 H LEU 15 16.603 15.722 2.548 87 HA LEU 15 HA LEU 15 18.884 15.257 0.971 88 HB2 LEU 15 HB2 LEU 15 16.731 17.289 1.063 89 HB3 LEU 15 HB3 LEU 15 18.195 17.712 0.177 90 HG LEU 15 HG LEU 15 16.391 15.357 -0.376 91 HD11 LEU 15 HD11 LEU 15 15.493 17.582 -1.007 92 HD12 LEU 15 HD12 LEU 15 15.785 16.521 -2.384 93 HD13 LEU 15 HD13 LEU 15 16.914 17.826 -2.022 94 HD21 LEU 15 HD21 LEU 15 19.035 16.202 -1.498 95 HD22 LEU 15 HD22 LEU 15 17.878 15.313 -2.489 96 HD23 LEU 15 HD23 LEU 15 18.496 14.600 -0.998 97 H THR 16 H THR 16 18.140 17.842 3.292 98 HA THR 16 HA THR 16 20.379 19.417 3.014 99 HB THR 16 HB THR 16 19.202 18.770 5.714 100 HG1 THR 16 HG1 THR 16 18.151 20.322 3.583 101 HG21 THR 16 HG21 THR 16 20.520 20.435 6.383 102 HG22 THR 16 HG22 THR 16 19.651 21.529 5.306 103 HG23 THR 16 HG23 THR 16 21.089 20.683 4.733 104 H TYR 17 H TYR 17 20.036 16.398 4.805 105 HA TYR 17 HA TYR 17 22.746 16.536 5.815 106 HB2 TYR 17 HB2 TYR 17 20.814 15.528 7.096 107 HB3 TYR 17 HB3 TYR 17 20.844 14.193 5.950 108 HD1 TYR 17 HD2 TYR 17 23.717 16.005 7.467 109 HD2 TYR 17 HD1 TYR 17 21.519 12.370 7.248 110 HE1 TYR 17 HE2 TYR 17 25.440 14.889 8.822 111 HE2 TYR 17 HE1 TYR 17 23.235 11.243 8.603 112 HH TYR 17 HH TYR 17 25.968 13.031 9.962 113 H LEU 18 H LEU 18 20.968 14.902 3.274 114 HA LEU 18 HA LEU 18 23.052 13.083 2.577 115 HB2 LEU 18 HB2 LEU 18 20.470 13.943 1.378 116 HB3 LEU 18 HB3 LEU 18 21.637 13.122 0.343 117 HG LEU 18 HG LEU 18 20.441 12.006 2.880 118 HD11 LEU 18 HD11 LEU 18 19.170 10.555 1.473 119 HD12 LEU 18 HD12 LEU 18 19.964 11.174 0.025 120 HD13 LEU 18 HD13 LEU 18 18.879 12.213 0.947 121 HD21 LEU 18 HD21 LEU 18 22.823 11.338 1.523 122 HD22 LEU 18 HD22 LEU 18 21.651 10.068 1.170 123 HD23 LEU 18 HD23 LEU 18 22.040 10.470 2.843 124 H THR 19 H THR 19 22.743 16.387 2.206 125 HA THR 19 HA THR 19 24.257 16.509 -0.289 126 HB THR 19 HB THR 19 24.056 19.076 0.283 127 HG1 THR 19 HG1 THR 19 22.715 19.527 1.859 128 HG21 THR 19 HG21 THR 19 22.691 17.333 -1.351 129 HG22 THR 19 HG22 THR 19 22.539 19.090 -1.369 130 HG23 THR 19 HG23 THR 19 21.397 18.115 -0.445 131 H GLY 20 H GLY 20 24.794 16.466 3.057 132 HA2 GLY 20 HA2 GLY 20 27.120 16.199 3.758 133 HA3 GLY 20 HA3 GLY 20 27.535 17.482 2.631 134 H GLY 21 H GLY 21 24.646 18.209 4.151 135 HA2 GLY 21 HA2 GLY 21 25.949 20.254 5.746 136 HA3 GLY 21 HA3 GLY 21 24.222 20.087 5.469 137 HA PRO 22 HA PRO 22 25.112 18.831 9.840 138 HB2 PRO 22 HB2 PRO 22 23.057 20.244 10.911 139 HB3 PRO 22 HB3 PRO 22 24.652 20.944 10.615 140 HG2 PRO 22 HG2 PRO 22 22.160 21.148 8.969 141 HG3 PRO 22 HG3 PRO 22 23.332 22.412 9.386 142 HD2 PRO 22 HD2 PRO 22 23.328 21.165 6.982 143 HD3 PRO 22 HD3 PRO 22 24.817 21.751 7.752 144 H GLY 23 H GLY 23 24.173 17.114 10.815 145 HA2 GLY 23 HA2 GLY 23 21.561 16.440 11.113 146 HA3 GLY 23 HA3 GLY 23 21.936 15.855 9.499 147 HA PRO 24 HA PRO 24 20.895 14.107 9.364 148 HB2 PRO 24 HB2 PRO 24 19.457 12.090 10.474 149 HB3 PRO 24 HB3 PRO 24 20.796 11.812 9.355 150 HG2 PRO 24 HG2 PRO 24 20.766 11.671 12.345 151 HG3 PRO 24 HG3 PRO 24 21.529 10.572 11.181 152 HD2 PRO 24 HD2 PRO 24 22.921 12.466 12.526 153 HD3 PRO 24 HD3 PRO 24 23.350 11.953 10.881 154 H SER 25 H SER 25 19.089 15.305 9.534 155 HA SER 25 HA SER 25 18.456 16.647 11.929 156 HB2 SER 25 HB2 SER 25 16.241 17.090 10.482 157 HB3 SER 25 HB3 SER 25 17.768 17.905 10.146 158 HG SER 25 HG SER 25 16.504 16.677 8.391 159 HA PRO 26 HA PRO 26 15.548 14.105 14.006 160 HB2 PRO 26 HB2 PRO 26 13.603 15.851 14.739 161 HB3 PRO 26 HB3 PRO 26 15.207 15.832 15.482 162 HG2 PRO 26 HG2 PRO 26 14.133 17.625 13.339 163 HG3 PRO 26 HG3 PRO 26 15.125 18.038 14.750 164 HD2 PRO 26 HD2 PRO 26 16.167 17.764 12.266 165 HD3 PRO 26 HD3 PRO 26 17.078 17.354 13.734 166 H GLN 27 H GLN 27 13.890 16.364 11.800 167 HA GLN 27 HA GLN 27 11.557 14.818 11.494 168 HB2 GLN 27 HB2 GLN 27 12.812 16.943 9.761 169 HB3 GLN 27 HB3 GLN 27 11.266 16.197 9.380 170 HG2 GLN 27 HG2 GLN 27 10.225 17.598 10.730 171 HG3 GLN 27 HG3 GLN 27 11.211 17.060 12.089 172 HE21 GLN 27 HE21 GLN 27 10.182 19.733 10.870 173 HE22 GLN 27 HE22 GLN 27 11.566 20.760 10.998 174 H CYS 28 H CYS 28 14.649 14.788 9.849 175 HA CYS 28 HA CYS 28 13.890 13.200 7.639 176 HB2 CYS 28 HB2 CYS 28 15.935 14.357 7.431 177 HB3 CYS 28 HB3 CYS 28 16.529 13.758 8.976 178 H CYS 29 H CYS 29 15.477 12.332 10.708 179 HA CYS 29 HA CYS 29 15.718 9.610 10.330 180 HB2 CYS 29 HB2 CYS 29 15.193 11.212 12.832 181 HB3 CYS 29 HB3 CYS 29 15.477 9.475 12.868 182 H GLY 30 H GLY 30 12.960 11.355 11.761 183 HA2 GLY 30 HA2 GLY 30 11.328 9.182 12.319 184 HA3 GLY 30 HA3 GLY 30 10.741 10.789 11.917 185 H GLY 31 H GLY 31 11.530 11.049 9.296 186 HA2 GLY 31 HA2 GLY 31 9.506 9.589 7.954 187 HA3 GLY 31 HA3 GLY 31 10.723 10.602 7.191 188 H VAL 32 H VAL 32 13.020 9.217 8.092 189 HA VAL 32 HA VAL 32 13.356 7.328 6.085 190 HB VAL 32 HB VAL 32 14.863 7.507 8.698 191 HG11 VAL 32 HG11 VAL 32 16.700 6.530 7.141 192 HG12 VAL 32 HG12 VAL 32 15.493 5.452 7.844 193 HG13 VAL 32 HG13 VAL 32 15.334 5.982 6.169 194 HG21 VAL 32 HG21 VAL 32 15.680 9.421 7.923 195 HG22 VAL 32 HG22 VAL 32 16.358 8.545 6.550 196 HG23 VAL 32 HG23 VAL 32 14.748 9.256 6.434 197 H LYS 33 H LYS 33 12.992 6.685 9.577 198 HA LYS 33 HA LYS 33 12.817 3.910 9.395 199 HB2 LYS 33 HB2 LYS 33 11.856 5.913 11.408 200 HB3 LYS 33 HB3 LYS 33 11.434 4.216 11.590 201 HG2 LYS 33 HG2 LYS 33 13.746 3.593 11.713 202 HG3 LYS 33 HG3 LYS 33 14.252 5.242 11.340 203 HD2 LYS 33 HD2 LYS 33 14.339 5.584 13.543 204 HD3 LYS 33 HD3 LYS 33 12.574 5.533 13.526 205 HE2 LYS 33 HE2 LYS 33 13.005 2.929 13.639 206 HE3 LYS 33 HE3 LYS 33 14.536 3.448 14.342 207 HZ1 LYS 33 HZ1 LYS 33 12.702 3.025 15.964 208 HZ2 LYS 33 HZ2 LYS 33 11.902 4.376 15.336 209 HZ3 LYS 33 HZ3 LYS 33 13.410 4.557 16.081 210 H LYS 34 H LYS 34 10.499 6.348 8.641 211 HA LYS 34 HA LYS 34 8.167 4.711 8.850 212 HB2 LYS 34 HB2 LYS 34 8.378 7.307 8.808 213 HB3 LYS 34 HB3 LYS 34 8.357 7.113 7.060 214 HG2 LYS 34 HG2 LYS 34 6.230 5.687 8.499 215 HG3 LYS 34 HG3 LYS 34 6.157 7.449 8.588 216 HD2 LYS 34 HD2 LYS 34 6.445 7.431 6.060 217 HD3 LYS 34 HD3 LYS 34 6.117 5.699 6.141 218 HE2 LYS 34 HE2 LYS 34 3.965 6.160 7.209 219 HE3 LYS 34 HE3 LYS 34 4.295 7.890 7.134 220 HZ1 LYS 34 HZ1 LYS 34 3.766 7.979 4.974 221 HZ2 LYS 34 HZ2 LYS 34 2.947 6.529 5.265 222 HZ3 LYS 34 HZ3 LYS 34 4.504 6.502 4.606 223 H LEU 35 H LEU 35 10.332 5.637 6.211 224 HA LEU 35 HA LEU 35 8.859 4.437 4.127 225 HB2 LEU 35 HB2 LEU 35 10.738 6.112 3.925 226 HB3 LEU 35 HB3 LEU 35 11.848 4.774 4.214 227 HG LEU 35 HG LEU 35 9.886 4.700 1.945 228 HD11 LEU 35 HD11 LEU 35 10.908 6.535 1.145 229 HD12 LEU 35 HD12 LEU 35 12.198 5.402 0.741 230 HD13 LEU 35 HD13 LEU 35 12.297 6.361 2.218 231 HD21 LEU 35 HD21 LEU 35 10.800 2.617 2.083 232 HD22 LEU 35 HD22 LEU 35 12.299 3.199 2.808 233 HD23 LEU 35 HD23 LEU 35 12.020 3.397 1.077 234 H LEU 36 H LEU 36 11.372 3.216 6.280 235 HA LEU 36 HA LEU 36 11.524 0.665 4.955 236 HB2 LEU 36 HB2 LEU 36 12.532 1.211 7.721 237 HB3 LEU 36 HB3 LEU 36 13.168 0.100 6.509 238 HG LEU 36 HG LEU 36 13.335 3.106 6.321 239 HD11 LEU 36 HD11 LEU 36 14.705 2.563 8.137 240 HD12 LEU 36 HD12 LEU 36 15.801 2.609 6.756 241 HD13 LEU 36 HD13 LEU 36 15.250 1.059 7.392 242 HD21 LEU 36 HD21 LEU 36 13.440 2.199 4.150 243 HD22 LEU 36 HD22 LEU 36 14.440 0.845 4.677 244 HD23 LEU 36 HD23 LEU 36 15.115 2.474 4.629 245 H ALA 37 H ALA 37 9.683 2.074 7.523 246 HA ALA 37 HA ALA 37 8.868 -0.424 8.696 247 HB1 ALA 37 HB1 ALA 37 8.842 1.322 10.224 248 HB2 ALA 37 HB2 ALA 37 8.081 2.438 9.089 249 HB3 ALA 37 HB3 ALA 37 7.137 1.135 9.812 250 H ALA 38 H ALA 38 7.716 1.695 6.186 251 HA ALA 38 HA ALA 38 5.100 0.467 6.057 252 HB1 ALA 38 HB1 ALA 38 6.435 2.447 4.214 253 HB2 ALA 38 HB2 ALA 38 4.748 1.939 4.125 254 HB3 ALA 38 HB3 ALA 38 5.327 2.828 5.533 255 H ALA 39 H ALA 39 8.116 -0.479 5.116 256 HA ALA 39 HA ALA 39 7.025 -2.126 2.928 257 HB1 ALA 39 HB1 ALA 39 9.903 -1.288 3.038 258 HB2 ALA 39 HB2 ALA 39 8.981 -1.911 1.669 259 HB3 ALA 39 HB3 ALA 39 8.676 -0.280 2.269 260 H ASN 40 H ASN 40 6.925 -4.178 3.537 261 HA ASN 40 HA ASN 40 9.016 -5.218 5.334 262 HB2 ASN 40 HB2 ASN 40 6.465 -5.089 6.037 263 HB3 ASN 40 HB3 ASN 40 6.367 -6.577 5.100 264 HD21 ASN 40 HD21 ASN 40 6.481 -8.297 6.329 265 HD22 ASN 40 HD22 ASN 40 7.454 -8.482 7.744 266 H THR 41 H THR 41 6.965 -5.901 2.549 267 HA THR 41 HA THR 41 8.320 -8.411 2.016 268 HB THR 41 HB THR 41 6.802 -8.684 0.168 269 HG1 THR 41 HG1 THR 41 6.222 -5.941 0.628 270 HG21 THR 41 HG21 THR 41 5.028 -7.413 2.207 271 HG22 THR 41 HG22 THR 41 6.009 -8.804 2.667 272 HG23 THR 41 HG23 THR 41 4.841 -8.944 1.353 273 H THR 42 H THR 42 8.562 -8.542 -0.656 274 HA THR 42 HA THR 42 10.903 -6.933 -1.137 275 HB THR 42 HB THR 42 9.749 -8.613 -3.306 276 HG1 THR 42 HG1 THR 42 11.123 -9.825 -1.142 277 HG21 THR 42 HG21 THR 42 12.103 -7.324 -2.999 278 HG22 THR 42 HG22 THR 42 11.896 -8.758 -4.006 279 HG23 THR 42 HG23 THR 42 12.530 -8.914 -2.368 280 HA PRO 43 HA PRO 43 7.854 -5.606 -4.863 281 HB2 PRO 43 HB2 PRO 43 5.454 -5.612 -3.090 282 HB3 PRO 43 HB3 PRO 43 5.578 -5.963 -4.818 283 HG2 PRO 43 HG2 PRO 43 5.303 -7.923 -3.011 284 HG3 PRO 43 HG3 PRO 43 6.298 -8.128 -4.465 285 HD2 PRO 43 HD2 PRO 43 7.113 -7.765 -1.649 286 HD3 PRO 43 HD3 PRO 43 7.937 -8.613 -2.973 287 H ASP 44 H ASP 44 7.066 -4.784 -1.486 288 HA ASP 44 HA ASP 44 6.575 -2.046 -1.963 289 HB2 ASP 44 HB2 ASP 44 7.050 -3.743 0.435 290 HB3 ASP 44 HB3 ASP 44 7.261 -2.004 0.622 291 H ARG 45 H ARG 45 9.465 -3.761 -0.811 292 HA ARG 45 HA ARG 45 11.086 -1.499 -0.453 293 HB2 ARG 45 HB2 ARG 45 11.829 -4.352 -1.115 294 HB3 ARG 45 HB3 ARG 45 12.987 -3.113 -0.649 295 HG2 ARG 45 HG2 ARG 45 10.705 -3.517 1.176 296 HG3 ARG 45 HG3 ARG 45 11.881 -4.829 1.079 297 HD2 ARG 45 HD2 ARG 45 13.666 -3.067 1.437 298 HD3 ARG 45 HD3 ARG 45 12.356 -1.958 1.841 299 HE ARG 45 HE ARG 45 12.193 -4.353 3.363 300 HH11 ARG 45 HH11 ARG 45 13.903 -1.331 3.114 301 HH12 ARG 45 HH12 ARG 45 14.296 -1.265 4.800 302 HH21 ARG 45 HH21 ARG 45 12.705 -4.277 5.584 303 HH22 ARG 45 HH22 ARG 45 13.615 -2.942 6.204 304 H GLN 46 H GLN 46 10.202 -3.291 -3.299 305 HA GLN 46 HA GLN 46 12.281 -2.386 -4.996 306 HB2 GLN 46 HB2 GLN 46 9.641 -3.701 -5.362 307 HB3 GLN 46 HB3 GLN 46 10.333 -2.889 -6.760 308 HG2 GLN 46 HG2 GLN 46 12.474 -4.267 -6.029 309 HG3 GLN 46 HG3 GLN 46 11.243 -5.316 -5.328 310 HE21 GLN 46 HE21 GLN 46 11.583 -6.995 -6.734 311 HE22 GLN 46 HE22 GLN 46 11.169 -6.922 -8.410 312 H ALA 47 H ALA 47 8.910 -1.299 -4.610 313 HA ALA 47 HA ALA 47 8.953 0.800 -6.425 314 HB1 ALA 47 HB1 ALA 47 7.240 1.788 -4.641 315 HB2 ALA 47 HB2 ALA 47 6.833 0.436 -5.699 316 HB3 ALA 47 HB3 ALA 47 7.334 0.134 -4.035 317 H ALA 48 H ALA 48 9.431 1.039 -2.893 318 HA ALA 48 HA ALA 48 10.113 3.720 -2.777 319 HB1 ALA 48 HB1 ALA 48 9.673 2.130 -0.854 320 HB2 ALA 48 HB2 ALA 48 11.358 1.631 -1.009 321 HB3 ALA 48 HB3 ALA 48 10.967 3.306 -0.618 322 H CYS 49 H CYS 49 12.320 0.930 -3.026 323 HA CYS 49 HA CYS 49 14.736 2.220 -3.074 324 HB2 CYS 49 HB2 CYS 49 13.713 -0.286 -4.315 325 HB3 CYS 49 HB3 CYS 49 15.279 0.308 -4.858 326 H ASN 50 H ASN 50 12.458 1.814 -5.743 327 HA ASN 50 HA ASN 50 14.097 2.882 -7.771 328 HB2 ASN 50 HB2 ASN 50 11.079 2.824 -7.551 329 HB3 ASN 50 HB3 ASN 50 11.975 3.203 -9.019 330 HD21 ASN 50 HD21 ASN 50 10.106 0.985 -8.180 331 HD22 ASN 50 HD22 ASN 50 10.946 -0.461 -8.618 332 H CYS 51 H CYS 51 11.602 4.391 -5.736 333 HA CYS 51 HA CYS 51 11.852 6.981 -6.826 334 HB2 CYS 51 HB2 CYS 51 10.816 5.991 -4.170 335 HB3 CYS 51 HB3 CYS 51 10.769 7.688 -4.636 336 H LEU 52 H LEU 52 13.499 5.336 -4.188 337 HA LEU 52 HA LEU 52 14.845 7.634 -3.191 338 HB2 LEU 52 HB2 LEU 52 15.031 4.700 -2.804 339 HB3 LEU 52 HB3 LEU 52 16.435 5.666 -2.356 340 HG LEU 52 HG LEU 52 13.648 6.045 -1.261 341 HD11 LEU 52 HD11 LEU 52 16.078 4.758 -0.024 342 HD12 LEU 52 HD12 LEU 52 14.601 3.934 -0.523 343 HD13 LEU 52 HD13 LEU 52 14.557 5.095 0.804 344 HD21 LEU 52 HD21 LEU 52 14.377 7.979 -0.458 345 HD22 LEU 52 HD22 LEU 52 15.910 7.751 -1.300 346 HD23 LEU 52 HD23 LEU 52 15.712 7.156 0.350 347 H LYS 53 H LYS 53 15.945 4.912 -5.211 348 HA LYS 53 HA LYS 53 18.539 5.712 -5.673 349 HB2 LYS 53 HB2 LYS 53 17.126 3.624 -6.495 350 HB3 LYS 53 HB3 LYS 53 16.992 4.585 -7.962 351 HG2 LYS 53 HG2 LYS 53 19.133 4.243 -8.536 352 HG3 LYS 53 HG3 LYS 53 19.708 4.370 -6.872 353 HD2 LYS 53 HD2 LYS 53 20.068 2.123 -7.750 354 HD3 LYS 53 HD3 LYS 53 18.904 2.101 -6.423 355 HE2 LYS 53 HE2 LYS 53 18.280 0.680 -8.385 356 HE3 LYS 53 HE3 LYS 53 17.073 1.883 -7.934 357 HZ1 LYS 53 HZ1 LYS 53 17.601 1.643 -10.383 358 HZ2 LYS 53 HZ2 LYS 53 19.076 2.401 -10.047 359 HZ3 LYS 53 HZ3 LYS 53 17.621 3.214 -9.757 360 H SER 54 H SER 54 15.603 6.710 -7.381 361 HA SER 54 HA SER 54 16.967 8.330 -9.289 362 HB2 SER 54 HB2 SER 54 14.069 8.398 -8.413 363 HB3 SER 54 HB3 SER 54 14.726 9.186 -9.847 364 HG SER 54 HG SER 54 13.863 6.696 -9.608 365 H ALA 55 H ALA 55 15.738 8.838 -6.074 366 HA ALA 55 HA ALA 55 15.759 11.694 -6.166 367 HB1 ALA 55 HB1 ALA 55 15.616 9.704 -3.920 368 HB2 ALA 55 HB2 ALA 55 15.670 11.444 -3.636 369 HB3 ALA 55 HB3 ALA 55 14.338 10.741 -4.554 370 H ALA 56 H ALA 56 17.890 9.339 -4.533 371 HA ALA 56 HA ALA 56 19.833 11.243 -3.778 372 HB1 ALA 56 HB1 ALA 56 19.532 8.993 -2.746 373 HB2 ALA 56 HB2 ALA 56 20.272 8.290 -4.184 374 HB3 ALA 56 HB3 ALA 56 21.202 9.383 -3.158 375 H GLY 57 H GLY 57 19.256 9.519 -6.730 376 HA2 GLY 57 HA2 GLY 57 21.816 9.592 -7.872 377 HA3 GLY 57 HA3 GLY 57 20.306 9.563 -8.769 378 H SER 58 H SER 58 19.629 12.144 -7.213 379 HA SER 58 HA SER 58 20.950 13.917 -9.139 380 HB2 SER 58 HB2 SER 58 18.489 14.376 -7.436 381 HB3 SER 58 HB3 SER 58 19.137 15.508 -8.623 382 HG SER 58 HG SER 58 18.790 13.849 -10.209 383 H ILE 59 H ILE 59 22.055 12.888 -6.521 384 HA ILE 59 HA ILE 59 22.325 15.364 -4.996 385 HB ILE 59 HB ILE 59 23.360 12.589 -4.406 386 HG12 ILE 59 HG12 ILE 59 20.887 12.848 -4.310 387 HG13 ILE 59 HG13 ILE 59 21.600 12.480 -2.744 388 HG21 ILE 59 HG21 ILE 59 23.469 15.139 -2.810 389 HG22 ILE 59 HG22 ILE 59 23.746 13.542 -2.118 390 HG23 ILE 59 HG23 ILE 59 24.821 14.158 -3.373 391 HD11 ILE 59 HD11 ILE 59 19.842 14.532 -3.332 392 HD12 ILE 59 HD12 ILE 59 20.788 14.339 -1.856 393 HD13 ILE 59 HD13 ILE 59 21.408 15.327 -3.178 394 H THR 60 H THR 60 23.869 16.732 -5.572 395 HA THR 60 HA THR 60 25.962 16.210 -7.331 396 HB THR 60 HB THR 60 25.356 18.480 -7.001 397 HG1 THR 60 HG1 THR 60 27.615 18.149 -7.315 398 HG21 THR 60 HG21 THR 60 24.595 19.140 -5.012 399 HG22 THR 60 HG22 THR 60 26.264 19.189 -4.444 400 HG23 THR 60 HG23 THR 60 25.299 17.730 -4.222 401 H LYS 61 H LYS 61 27.566 14.811 -7.047 402 HA LYS 61 HA LYS 61 29.291 13.651 -6.124 403 HB2 LYS 61 HB2 LYS 61 29.377 16.245 -4.628 404 HB3 LYS 61 HB3 LYS 61 30.448 14.934 -4.150 405 HG2 LYS 61 HG2 LYS 61 31.048 14.894 -6.693 406 HG3 LYS 61 HG3 LYS 61 30.420 16.543 -6.655 407 HD2 LYS 61 HD2 LYS 61 32.144 17.314 -5.394 408 HD3 LYS 61 HD3 LYS 61 32.319 15.795 -4.512 409 HE2 LYS 61 HE2 LYS 61 33.389 14.783 -6.461 410 HE3 LYS 61 HE3 LYS 61 33.196 16.289 -7.357 411 HZ1 LYS 61 HZ1 LYS 61 34.997 15.694 -5.105 412 HZ2 LYS 61 HZ2 LYS 61 34.518 17.288 -5.401 413 HZ3 LYS 61 HZ3 LYS 61 35.350 16.421 -6.591 414 H LEU 62 H LEU 62 27.047 12.541 -5.380 415 HA LEU 62 HA LEU 62 26.251 12.473 -2.745 416 HB2 LEU 62 HB2 LEU 62 25.026 11.296 -4.427 417 HB3 LEU 62 HB3 LEU 62 26.402 10.250 -4.770 418 HG LEU 62 HG LEU 62 26.028 9.605 -2.207 419 HD11 LEU 62 HD11 LEU 62 23.981 11.294 -2.411 420 HD12 LEU 62 HD12 LEU 62 23.928 9.855 -1.393 421 HD13 LEU 62 HD13 LEU 62 23.183 9.832 -2.991 422 HD21 LEU 62 HD21 LEU 62 25.256 8.523 -4.771 423 HD22 LEU 62 HD22 LEU 62 24.142 8.020 -3.500 424 HD23 LEU 62 HD23 LEU 62 25.869 7.697 -3.338 425 H ASN 63 H ASN 63 26.925 11.487 -0.895 426 HA ASN 63 HA ASN 63 29.593 10.247 -0.985 427 HB2 ASN 63 HB2 ASN 63 28.995 12.430 0.394 428 HB3 ASN 63 HB3 ASN 63 28.411 11.253 1.567 429 HD21 ASN 63 HD21 ASN 63 30.872 13.144 1.094 430 HD22 ASN 63 HD22 ASN 63 32.186 12.167 1.646 431 H THR 64 H THR 64 29.314 8.099 -1.084 432 HA THR 64 HA THR 64 27.170 6.609 -0.173 433 HB THR 64 HB THR 64 28.823 4.672 -0.077 434 HG1 THR 64 HG1 THR 64 30.833 5.323 0.088 435 HG21 THR 64 HG21 THR 64 28.185 4.429 -2.197 436 HG22 THR 64 HG22 THR 64 29.403 5.598 -2.706 437 HG23 THR 64 HG23 THR 64 27.784 6.144 -2.271 438 H ASN 65 H ASN 65 30.029 7.691 1.562 439 HA ASN 65 HA ASN 65 29.668 6.098 3.871 440 HB2 ASN 65 HB2 ASN 65 31.267 8.507 3.166 441 HB3 ASN 65 HB3 ASN 65 31.021 8.172 4.877 442 HD21 ASN 65 HD21 ASN 65 33.336 7.891 4.914 443 HD22 ASN 65 HD22 ASN 65 34.016 6.371 4.454 444 H ASN 66 H ASN 66 28.599 9.360 3.011 445 HA ASN 66 HA ASN 66 27.427 9.946 5.530 446 HB2 ASN 66 HB2 ASN 66 26.847 11.129 2.804 447 HB3 ASN 66 HB3 ASN 66 26.331 11.813 4.344 448 HD21 ASN 66 HD21 ASN 66 27.614 13.560 3.051 449 HD22 ASN 66 HD22 ASN 66 29.273 13.714 3.511 450 H ALA 67 H ALA 67 26.171 8.615 2.507 451 HA ALA 67 HA ALA 67 23.451 8.620 3.125 452 HB1 ALA 67 HB1 ALA 67 25.182 7.096 1.265 453 HB2 ALA 67 HB2 ALA 67 23.573 6.450 1.588 454 HB3 ALA 67 HB3 ALA 67 23.755 8.080 0.940 455 H ALA 68 H ALA 68 25.969 6.263 3.896 456 HA ALA 68 HA ALA 68 24.157 4.390 5.091 457 HB1 ALA 68 HB1 ALA 68 26.017 3.288 4.363 458 HB2 ALA 68 HB2 ALA 68 27.106 4.609 4.792 459 HB3 ALA 68 HB3 ALA 68 26.471 3.546 6.048 460 H ALA 69 H ALA 69 25.975 7.143 6.181 461 HA ALA 69 HA ALA 69 25.879 6.530 8.968 462 HB1 ALA 69 HB1 ALA 69 26.151 9.309 7.888 463 HB2 ALA 69 HB2 ALA 69 26.882 8.595 9.325 464 HB3 ALA 69 HB3 ALA 69 27.462 8.140 7.723 465 H LEU 70 H LEU 70 23.731 8.077 6.711 466 HA LEU 70 HA LEU 70 22.139 9.598 8.395 467 HB2 LEU 70 HB2 LEU 70 21.593 9.915 6.206 468 HB3 LEU 70 HB3 LEU 70 21.732 8.203 5.811 469 HG LEU 70 HG LEU 70 19.554 7.782 6.830 470 HD11 LEU 70 HD11 LEU 70 18.192 9.468 7.745 471 HD12 LEU 70 HD12 LEU 70 19.253 10.753 7.167 472 HD13 LEU 70 HD13 LEU 70 19.780 9.697 8.477 473 HD21 LEU 70 HD21 LEU 70 19.354 10.099 4.916 474 HD22 LEU 70 HD22 LEU 70 18.209 8.775 5.136 475 HD23 LEU 70 HD23 LEU 70 19.794 8.462 4.427 476 HA PRO 71 HA PRO 71 19.352 5.723 9.151 477 HB2 PRO 71 HB2 PRO 71 20.334 3.315 8.370 478 HB3 PRO 71 HB3 PRO 71 19.358 4.343 7.314 479 HG2 PRO 71 HG2 PRO 71 22.331 4.009 7.412 480 HG3 PRO 71 HG3 PRO 71 21.262 4.103 6.000 481 HD2 PRO 71 HD2 PRO 71 22.719 6.214 6.868 482 HD3 PRO 71 HD3 PRO 71 21.132 6.403 6.095 483 H GLY 72 H GLY 72 22.842 5.095 9.275 484 HA2 GLY 72 HA2 GLY 72 22.816 3.419 11.542 485 HA3 GLY 72 HA3 GLY 72 24.197 4.344 10.969 486 H LYS 73 H LYS 73 23.312 6.927 11.259 487 HA LYS 73 HA LYS 73 23.603 7.285 14.085 488 HB2 LYS 73 HB2 LYS 73 23.418 9.090 11.711 489 HB3 LYS 73 HB3 LYS 73 23.158 9.772 13.311 490 HG2 LYS 73 HG2 LYS 73 25.385 10.097 13.193 491 HG3 LYS 73 HG3 LYS 73 25.421 8.435 13.786 492 HD2 LYS 73 HD2 LYS 73 25.565 7.659 11.428 493 HD3 LYS 73 HD3 LYS 73 25.679 9.346 10.921 494 HE2 LYS 73 HE2 LYS 73 27.624 7.766 12.586 495 HE3 LYS 73 HE3 LYS 73 27.896 8.515 11.014 496 HZ1 LYS 73 HZ1 LYS 73 28.893 9.967 12.494 497 HZ2 LYS 73 HZ2 LYS 73 27.676 9.806 13.657 498 HZ3 LYS 73 HZ3 LYS 73 27.383 10.687 12.243 499 H CYS 74 H CYS 74 20.952 7.133 11.891 500 HA CYS 74 HA CYS 74 19.103 8.512 13.636 501 HB2 CYS 74 HB2 CYS 74 18.919 7.168 10.969 502 HB3 CYS 74 HB3 CYS 74 17.443 7.450 11.887 503 H GLY 75 H GLY 75 20.557 5.628 13.881 504 HA2 GLY 75 HA2 GLY 75 20.125 3.779 15.178 505 HA3 GLY 75 HA3 GLY 75 18.697 4.615 15.769 506 H VAL 76 H VAL 76 19.473 3.689 12.441 507 HA VAL 76 HA VAL 76 17.431 1.604 12.514 508 HB VAL 76 HB VAL 76 16.260 3.702 11.866 509 HG11 VAL 76 HG11 VAL 76 18.034 3.589 9.429 510 HG12 VAL 76 HG12 VAL 76 16.712 4.723 9.711 511 HG13 VAL 76 HG13 VAL 76 18.154 4.778 10.725 512 HG21 VAL 76 HG21 VAL 76 15.730 1.321 11.019 513 HG22 VAL 76 HG22 VAL 76 14.968 2.694 10.215 514 HG23 VAL 76 HG23 VAL 76 16.358 1.899 9.475 515 H ASN 77 H ASN 77 17.872 -0.078 11.195 516 HA ASN 77 HA ASN 77 20.200 0.201 9.412 517 HB2 ASN 77 HB2 ASN 77 20.145 -2.429 9.731 518 HB3 ASN 77 HB3 ASN 77 20.922 -1.383 10.916 519 HD21 ASN 77 HD21 ASN 77 20.573 -2.238 12.835 520 HD22 ASN 77 HD22 ASN 77 19.048 -2.780 13.441 521 H ILE 78 H ILE 78 20.052 -0.427 7.318 522 HA ILE 78 HA ILE 78 17.409 -1.357 6.408 523 HB ILE 78 HB ILE 78 18.174 -0.430 4.157 524 HG12 ILE 78 HG12 ILE 78 20.595 -0.203 5.204 525 HG13 ILE 78 HG13 ILE 78 20.020 0.935 3.990 526 HG21 ILE 78 HG21 ILE 78 17.617 1.365 6.508 527 HG22 ILE 78 HG22 ILE 78 17.598 1.919 4.835 528 HG23 ILE 78 HG23 ILE 78 16.458 0.684 5.367 529 HD11 ILE 78 HD11 ILE 78 21.185 1.774 6.165 530 HD12 ILE 78 HD12 ILE 78 19.800 2.640 5.499 531 HD13 ILE 78 HD13 ILE 78 19.584 1.548 6.867 532 HA PRO 79 HA PRO 79 19.182 -5.086 4.902 533 HB2 PRO 79 HB2 PRO 79 17.508 -5.612 2.831 534 HB3 PRO 79 HB3 PRO 79 17.030 -5.795 4.522 535 HG2 PRO 79 HG2 PRO 79 16.481 -3.539 2.633 536 HG3 PRO 79 HG3 PRO 79 15.390 -4.315 3.796 537 HD2 PRO 79 HD2 PRO 79 16.611 -1.952 4.298 538 HD3 PRO 79 HD3 PRO 79 16.238 -3.124 5.577 539 H TYR 80 H TYR 80 18.781 -2.345 2.786 540 HA TYR 80 HA TYR 80 20.940 -3.397 1.079 541 HB2 TYR 80 HB2 TYR 80 18.837 -1.496 0.071 542 HB3 TYR 80 HB3 TYR 80 19.940 -2.505 -0.858 543 HD1 TYR 80 HD2 TYR 80 19.575 -5.131 0.414 544 HD2 TYR 80 HD1 TYR 80 16.704 -2.155 -0.588 545 HE1 TYR 80 HE2 TYR 80 17.844 -6.869 0.239 546 HE2 TYR 80 HE1 TYR 80 14.964 -3.884 -0.765 547 HH TYR 80 HH TYR 80 15.744 -7.314 -0.444 548 H LYS 81 H LYS 81 21.500 -1.198 -0.410 549 HA LYS 81 HA LYS 81 22.537 0.659 1.614 550 HB2 LYS 81 HB2 LYS 81 23.453 -0.044 -1.170 551 HB3 LYS 81 HB3 LYS 81 24.070 1.361 -0.309 552 HG2 LYS 81 HG2 LYS 81 25.426 0.126 0.959 553 HG3 LYS 81 HG3 LYS 81 24.183 -1.090 1.264 554 HD2 LYS 81 HD2 LYS 81 24.727 -2.304 -0.639 555 HD3 LYS 81 HD3 LYS 81 25.513 -0.927 -1.414 556 HE2 LYS 81 HE2 LYS 81 26.616 -2.105 1.110 557 HE3 LYS 81 HE3 LYS 81 26.973 -2.836 -0.454 558 HZ1 LYS 81 HZ1 LYS 81 28.264 -1.102 -1.075 559 HZ2 LYS 81 HZ2 LYS 81 28.473 -0.948 0.596 560 HZ3 LYS 81 HZ3 LYS 81 27.368 0.045 -0.213 561 H ILE 82 H ILE 82 22.967 2.937 0.546 562 HA ILE 82 HA ILE 82 20.514 3.760 -0.862 563 HB ILE 82 HB ILE 82 21.910 5.395 1.256 564 HG12 ILE 82 HG12 ILE 82 19.553 4.846 2.386 565 HG13 ILE 82 HG13 ILE 82 19.718 3.385 1.419 566 HG21 ILE 82 HG21 ILE 82 19.427 5.769 -0.385 567 HG22 ILE 82 HG22 ILE 82 19.657 6.611 1.147 568 HG23 ILE 82 HG23 ILE 82 20.794 6.864 -0.178 569 HD11 ILE 82 HD11 ILE 82 20.768 2.637 3.255 570 HD12 ILE 82 HD12 ILE 82 22.151 3.473 2.549 571 HD13 ILE 82 HD13 ILE 82 21.194 4.257 3.805 572 H SER 83 H SER 83 21.276 4.128 -2.870 573 HA SER 83 HA SER 83 22.756 6.452 -3.418 574 HB2 SER 83 HB2 SER 83 24.893 5.738 -3.918 575 HB3 SER 83 HB3 SER 83 24.517 4.662 -2.572 576 HG SER 83 HG SER 83 24.487 3.012 -3.893 577 H THR 84 H THR 84 23.594 6.320 -5.842 578 HA THR 84 HA THR 84 21.276 5.583 -7.388 579 HB THR 84 HB THR 84 22.341 7.670 -7.938 580 HG1 THR 84 HG1 THR 84 21.547 6.195 -9.676 581 HG21 THR 84 HG21 THR 84 24.774 6.758 -9.156 582 HG22 THR 84 HG22 THR 84 24.731 6.260 -7.465 583 HG23 THR 84 HG23 THR 84 24.549 7.962 -7.888 584 H THR 85 H THR 85 23.801 3.828 -6.298 585 HA THR 85 HA THR 85 23.803 2.082 -8.675 586 HB THR 85 HB THR 85 26.042 1.343 -8.113 587 HG1 THR 85 HG1 THR 85 26.879 1.725 -6.205 588 HG21 THR 85 HG21 THR 85 27.028 3.084 -9.138 589 HG22 THR 85 HG22 THR 85 26.553 4.217 -7.873 590 HG23 THR 85 HG23 THR 85 25.415 3.796 -9.153 591 H THR 86 H THR 86 21.786 1.741 -6.917 592 HA THR 86 HA THR 86 22.591 -0.632 -5.362 593 HB THR 86 HB THR 86 20.452 1.412 -4.783 594 HG1 THR 86 HG1 THR 86 21.670 1.803 -3.015 595 HG21 THR 86 HG21 THR 86 20.147 -0.222 -2.726 596 HG22 THR 86 HG22 THR 86 20.675 -1.424 -3.904 597 HG23 THR 86 HG23 THR 86 19.239 -0.451 -4.220 598 H ASN 87 H ASN 87 21.422 -2.496 -5.586 599 HA ASN 87 HA ASN 87 19.197 -2.448 -7.515 600 HB2 ASN 87 HB2 ASN 87 21.551 -3.453 -8.212 601 HB3 ASN 87 HB3 ASN 87 20.952 -4.857 -7.334 602 HD21 ASN 87 HD21 ASN 87 21.519 -4.684 -10.125 603 HD22 ASN 87 HD22 ASN 87 20.041 -4.987 -10.967 604 H CYS 88 H CYS 88 17.584 -2.555 -5.988 605 HA CYS 88 HA CYS 88 17.655 -4.509 -3.870 606 HB2 CYS 88 HB2 CYS 88 15.294 -2.847 -4.755 607 HB3 CYS 88 HB3 CYS 88 15.544 -3.604 -3.185 608 H ASN 89 H ASN 89 16.834 -4.556 -7.130 609 HA ASN 89 HA ASN 89 14.708 -6.493 -6.961 610 HB2 ASN 89 HB2 ASN 89 16.310 -5.913 -9.441 611 HB3 ASN 89 HB3 ASN 89 14.622 -6.399 -9.309 612 HD21 ASN 89 HD21 ASN 89 15.972 -4.090 -10.618 613 HD22 ASN 89 HD22 ASN 89 15.157 -2.695 -10.006 614 H THR 90 H THR 90 18.175 -6.517 -7.556 615 HA THR 90 HA THR 90 18.098 -9.462 -7.623 616 HB THR 90 HB THR 90 20.503 -9.116 -8.585 617 HG1 THR 90 HG1 THR 90 19.412 -6.766 -9.666 618 HG21 THR 90 HG21 THR 90 19.659 -9.311 -10.778 619 HG22 THR 90 HG22 THR 90 18.218 -8.369 -10.395 620 HG23 THR 90 HG23 THR 90 18.407 -9.997 -9.744 621 H VAL 91 H VAL 91 17.915 -8.599 -5.153 622 HA VAL 91 HA VAL 91 20.422 -8.008 -3.905 623 HB VAL 91 HB VAL 91 17.832 -8.962 -2.677 624 HG11 VAL 91 HG11 VAL 91 19.412 -7.424 -0.890 625 HG12 VAL 91 HG12 VAL 91 18.912 -9.110 -0.744 626 HG13 VAL 91 HG13 VAL 91 20.426 -8.705 -1.553 627 HG21 VAL 91 HG21 VAL 91 18.677 -6.189 -2.279 628 HG22 VAL 91 HG22 VAL 91 18.287 -6.590 -3.952 629 HG23 VAL 91 HG23 VAL 91 17.090 -6.845 -2.682 630 H LYS 92 H LYS 92 21.935 -9.358 -3.167 631 HA LYS 92 HA LYS 92 21.504 -12.227 -3.496 632 HB2 LYS 92 HB2 LYS 92 23.907 -10.462 -3.274 633 HB3 LYS 92 HB3 LYS 92 24.061 -12.161 -2.847 634 HG2 LYS 92 HG2 LYS 92 22.838 -12.432 -5.204 635 HG3 LYS 92 HG3 LYS 92 23.656 -10.893 -5.484 636 HD2 LYS 92 HD2 LYS 92 25.770 -12.012 -4.671 637 HD3 LYS 92 HD3 LYS 92 24.888 -13.539 -4.739 638 HE2 LYS 92 HE2 LYS 92 24.519 -12.093 -7.186 639 HE3 LYS 92 HE3 LYS 92 26.240 -12.222 -6.827 640 HZ1 LYS 92 HZ1 LYS 92 25.968 -14.194 -7.857 641 HZ2 LYS 92 HZ2 LYS 92 24.321 -14.306 -7.492 642 HZ3 LYS 92 HZ3 LYS 92 25.475 -14.702 -6.320 643 H PHE 93 H PHE 93 20.361 -12.910 -1.736 644 HA PHE 93 HA PHE 93 19.897 -13.480 0.419 645 HB2 PHE 93 HB2 PHE 93 22.861 -13.625 0.204 646 HB3 PHE 93 HB3 PHE 93 22.165 -13.717 1.818 647 HD1 PHE 93 HD1 PHE 93 21.356 -15.130 -1.545 648 HD2 PHE 93 HD2 PHE 93 21.941 -15.848 2.609 649 HE1 PHE 93 HE1 PHE 93 20.877 -17.518 -1.894 650 HE2 PHE 93 HE2 PHE 93 21.464 -18.238 2.267 651 HZ PHE 93 HZ PHE 93 20.932 -19.075 0.013 Start of MODEL 7 1 H1 ALA 1 H ALA 1 0.604 0.876 0.296 2 HA ALA 1 HA ALA 1 2.718 -0.681 -0.013 3 HB1 ALA 1 HB1 ALA 1 3.154 -1.077 -2.370 4 HB2 ALA 1 HB2 ALA 1 1.633 -1.830 -1.888 5 HB3 ALA 1 HB3 ALA 1 1.620 -0.319 -2.798 6 H ILE 2 H ILE 2 4.653 0.343 -0.919 7 HA ILE 2 HA ILE 2 4.554 3.188 -0.566 8 HB ILE 2 HB ILE 2 6.850 1.398 -1.370 9 HG12 ILE 2 HG12 ILE 2 7.499 2.127 1.084 10 HG13 ILE 2 HG13 ILE 2 5.762 2.363 1.244 11 HG21 ILE 2 HG21 ILE 2 8.104 3.501 -0.393 12 HG22 ILE 2 HG22 ILE 2 7.618 3.428 -2.086 13 HG23 ILE 2 HG23 ILE 2 6.642 4.331 -0.927 14 HD11 ILE 2 HD11 ILE 2 5.312 0.099 0.899 15 HD12 ILE 2 HD12 ILE 2 6.917 -0.209 0.235 16 HD13 ILE 2 HD13 ILE 2 6.723 0.122 1.956 17 H SER 3 H SER 3 4.166 4.641 -2.088 18 HA SER 3 HA SER 3 4.304 3.845 -4.896 19 HB2 SER 3 HB2 SER 3 2.225 4.884 -4.201 20 HB3 SER 3 HB3 SER 3 3.095 6.278 -3.559 21 HG SER 3 HG SER 3 3.427 5.572 -6.254 22 H CYS 4 H CYS 4 4.920 6.984 -3.347 23 HA CYS 4 HA CYS 4 7.673 7.092 -3.902 24 HB2 CYS 4 HB2 CYS 4 6.228 7.322 -6.225 25 HB3 CYS 4 HB3 CYS 4 6.457 9.006 -5.767 26 H GLY 5 H GLY 5 4.669 8.943 -3.661 27 HA2 GLY 5 HA2 GLY 5 5.690 11.399 -2.859 28 HA3 GLY 5 HA3 GLY 5 4.121 10.768 -2.381 29 H ALA 6 H ALA 6 5.265 8.457 -1.001 30 HA ALA 6 HA ALA 6 5.660 9.687 1.549 31 HB1 ALA 6 HB1 ALA 6 4.559 7.725 1.854 32 HB2 ALA 6 HB2 ALA 6 5.400 6.917 0.531 33 HB3 ALA 6 HB3 ALA 6 6.206 7.138 2.084 34 H VAL 7 H VAL 7 7.737 8.184 -0.846 35 HA VAL 7 HA VAL 7 10.049 8.071 0.842 36 HB VAL 7 HB VAL 7 10.000 8.009 -2.175 37 HG11 VAL 7 HG11 VAL 7 12.104 7.988 -0.338 38 HG12 VAL 7 HG12 VAL 7 11.930 6.315 -0.872 39 HG13 VAL 7 HG13 VAL 7 12.181 7.598 -2.056 40 HG21 VAL 7 HG21 VAL 7 8.424 6.364 -1.256 41 HG22 VAL 7 HG22 VAL 7 9.815 5.589 -2.015 42 HG23 VAL 7 HG23 VAL 7 9.716 5.696 -0.258 43 H THR 8 H THR 8 8.977 10.211 -1.784 44 HA THR 8 HA THR 8 11.237 11.899 -1.748 45 HB THR 8 HB THR 8 8.427 12.615 -2.605 46 HG1 THR 8 HG1 THR 8 10.580 11.585 -4.166 47 HG21 THR 8 HG21 THR 8 10.182 13.938 -4.241 48 HG22 THR 8 HG22 THR 8 10.998 14.011 -2.680 49 HG23 THR 8 HG23 THR 8 9.361 14.643 -2.850 50 H SER 9 H SER 9 8.436 11.704 0.268 51 HA SER 9 HA SER 9 8.395 14.343 1.260 52 HB2 SER 9 HB2 SER 9 6.462 13.256 1.846 53 HB3 SER 9 HB3 SER 9 7.283 11.721 2.126 54 HG SER 9 HG SER 9 6.685 13.717 3.879 55 H ASP 10 H ASP 10 9.834 11.381 2.619 56 HA ASP 10 HA ASP 10 11.140 12.798 4.738 57 HB2 ASP 10 HB2 ASP 10 11.946 10.051 3.834 58 HB3 ASP 10 HB3 ASP 10 11.917 10.718 5.464 59 H LEU 11 H LEU 11 11.875 12.117 1.464 60 HA LEU 11 HA LEU 11 14.713 12.169 1.641 61 HB2 LEU 11 HB2 LEU 11 12.734 12.494 -0.579 62 HB3 LEU 11 HB3 LEU 11 14.444 12.816 -0.858 63 HG LEU 11 HG LEU 11 13.501 10.188 0.247 64 HD11 LEU 11 HD11 LEU 11 13.286 11.224 -2.508 65 HD12 LEU 11 HD12 LEU 11 12.355 9.972 -1.686 66 HD13 LEU 11 HD13 LEU 11 13.956 9.603 -2.327 67 HD21 LEU 11 HD21 LEU 11 15.703 9.892 0.366 68 HD22 LEU 11 HD22 LEU 11 16.024 11.375 -0.535 69 HD23 LEU 11 HD23 LEU 11 15.710 9.868 -1.398 70 H SER 12 H SER 12 12.235 14.622 1.210 71 HA SER 12 HA SER 12 13.771 16.771 0.379 72 HB2 SER 12 HB2 SER 12 11.547 17.330 0.387 73 HB3 SER 12 HB3 SER 12 11.227 16.475 1.895 74 HG SER 12 HG SER 12 11.180 18.493 2.584 75 HA PRO 13 HA PRO 13 14.624 17.876 5.008 76 HB2 PRO 13 HB2 PRO 13 14.022 15.989 6.864 77 HB3 PRO 13 HB3 PRO 13 12.869 17.221 6.338 78 HG2 PRO 13 HG2 PRO 13 13.113 14.364 5.478 79 HG3 PRO 13 HG3 PRO 13 11.654 15.297 5.859 80 HD2 PRO 13 HD2 PRO 13 12.464 14.831 3.317 81 HD3 PRO 13 HD3 PRO 13 11.614 16.316 3.792 82 H CYS 14 H CYS 14 15.081 14.633 3.812 83 HA CYS 14 HA CYS 14 17.468 14.165 5.376 84 HB2 CYS 14 HB2 CYS 14 15.985 12.620 3.269 85 HB3 CYS 14 HB3 CYS 14 17.607 12.136 3.756 86 H LEU 15 H LEU 15 16.687 15.714 2.459 87 HA LEU 15 HA LEU 15 19.019 15.218 0.951 88 HB2 LEU 15 HB2 LEU 15 16.841 17.226 0.922 89 HB3 LEU 15 HB3 LEU 15 18.327 17.640 0.070 90 HG LEU 15 HG LEU 15 16.561 15.253 -0.473 91 HD11 LEU 15 HD11 LEU 15 16.287 16.438 -2.679 92 HD12 LEU 15 HD12 LEU 15 17.013 17.852 -1.918 93 HD13 LEU 15 HD13 LEU 15 15.497 17.199 -1.298 94 HD21 LEU 15 HD21 LEU 15 18.493 14.369 -1.212 95 HD22 LEU 15 HD22 LEU 15 19.309 15.931 -1.273 96 HD23 LEU 15 HD23 LEU 15 18.237 15.444 -2.587 97 H THR 16 H THR 16 18.167 17.841 3.189 98 HA THR 16 HA THR 16 20.389 19.445 2.943 99 HB THR 16 HB THR 16 19.249 18.874 5.664 100 HG1 THR 16 HG1 THR 16 17.464 20.139 5.126 101 HG21 THR 16 HG21 THR 16 19.536 21.289 5.940 102 HG22 THR 16 HG22 THR 16 20.106 21.417 4.276 103 HG23 THR 16 HG23 THR 16 21.052 20.523 5.466 104 H TYR 17 H TYR 17 20.024 16.498 4.864 105 HA TYR 17 HA TYR 17 22.710 16.690 5.915 106 HB2 TYR 17 HB2 TYR 17 20.770 15.705 7.188 107 HB3 TYR 17 HB3 TYR 17 20.818 14.339 6.079 108 HD1 TYR 17 HD2 TYR 17 23.649 16.202 7.622 109 HD2 TYR 17 HD1 TYR 17 21.490 12.542 7.405 110 HE1 TYR 17 HE2 TYR 17 25.350 15.121 9.032 111 HE2 TYR 17 HE1 TYR 17 23.185 11.451 8.815 112 HH TYR 17 HH TYR 17 25.854 13.286 10.230 113 H LEU 18 H LEU 18 21.011 14.933 3.397 114 HA LEU 18 HA LEU 18 23.110 13.107 2.810 115 HB2 LEU 18 HB2 LEU 18 20.583 13.958 1.498 116 HB3 LEU 18 HB3 LEU 18 21.784 13.121 0.516 117 HG LEU 18 HG LEU 18 20.494 12.041 3.022 118 HD11 LEU 18 HD11 LEU 18 19.036 10.870 1.732 119 HD12 LEU 18 HD12 LEU 18 20.127 10.813 0.349 120 HD13 LEU 18 HD13 LEU 18 19.231 12.289 0.703 121 HD21 LEU 18 HD21 LEU 18 22.921 11.347 1.755 122 HD22 LEU 18 HD22 LEU 18 21.757 10.074 1.388 123 HD23 LEU 18 HD23 LEU 18 22.093 10.505 3.065 124 H THR 19 H THR 19 22.810 16.408 2.314 125 HA THR 19 HA THR 19 24.458 16.447 -0.097 126 HB THR 19 HB THR 19 24.220 19.031 0.368 127 HG1 THR 19 HG1 THR 19 23.157 19.136 2.258 128 HG21 THR 19 HG21 THR 19 22.861 18.930 -1.402 129 HG22 THR 19 HG22 THR 19 21.599 18.129 -0.467 130 HG23 THR 19 HG23 THR 19 22.879 17.177 -1.218 131 H GLY 20 H GLY 20 24.825 16.506 3.266 132 HA2 GLY 20 HA2 GLY 20 27.131 16.274 4.068 133 HA3 GLY 20 HA3 GLY 20 27.567 17.564 2.957 134 H GLY 21 H GLY 21 24.649 18.431 4.162 135 HA2 GLY 21 HA2 GLY 21 25.797 20.455 5.839 136 HA3 GLY 21 HA3 GLY 21 24.086 20.205 5.529 137 HA PRO 22 HA PRO 22 24.994 19.052 9.939 138 HB2 PRO 22 HB2 PRO 22 22.948 20.493 10.993 139 HB3 PRO 22 HB3 PRO 22 24.548 21.179 10.686 140 HG2 PRO 22 HG2 PRO 22 22.056 21.376 9.040 141 HG3 PRO 22 HG3 PRO 22 23.236 22.638 9.438 142 HD2 PRO 22 HD2 PRO 22 23.221 21.358 7.052 143 HD3 PRO 22 HD3 PRO 22 24.714 21.945 7.811 144 H GLY 23 H GLY 23 24.053 17.345 10.925 145 HA2 GLY 23 HA2 GLY 23 21.423 16.702 11.223 146 HA3 GLY 23 HA3 GLY 23 21.819 16.071 9.631 147 HA PRO 24 HA PRO 24 20.820 14.319 9.477 148 HB2 PRO 24 HB2 PRO 24 19.356 12.311 10.569 149 HB3 PRO 24 HB3 PRO 24 20.737 12.023 9.504 150 HG2 PRO 24 HG2 PRO 24 20.600 11.933 12.493 151 HG3 PRO 24 HG3 PRO 24 21.412 10.821 11.376 152 HD2 PRO 24 HD2 PRO 24 22.741 12.747 12.738 153 HD3 PRO 24 HD3 PRO 24 23.234 12.210 11.119 154 H SER 25 H SER 25 19.006 15.513 9.563 155 HA SER 25 HA SER 25 18.276 16.887 11.909 156 HB2 SER 25 HB2 SER 25 16.842 18.077 10.573 157 HB3 SER 25 HB3 SER 25 17.847 17.363 9.312 158 HG SER 25 HG SER 25 15.630 17.071 8.874 159 HA PRO 26 HA PRO 26 15.327 14.344 13.927 160 HB2 PRO 26 HB2 PRO 26 13.369 16.097 14.607 161 HB3 PRO 26 HB3 PRO 26 14.954 16.077 15.389 162 HG2 PRO 26 HG2 PRO 26 13.937 17.866 13.215 163 HG3 PRO 26 HG3 PRO 26 14.896 18.280 14.648 164 HD2 PRO 26 HD2 PRO 26 15.997 17.996 12.191 165 HD3 PRO 26 HD3 PRO 26 16.871 17.589 13.682 166 H GLN 27 H GLN 27 13.839 16.545 11.563 167 HA GLN 27 HA GLN 27 11.456 15.058 11.240 168 HB2 GLN 27 HB2 GLN 27 12.832 17.198 9.659 169 HB3 GLN 27 HB3 GLN 27 11.452 16.356 8.966 170 HG2 GLN 27 HG2 GLN 27 9.996 17.146 10.621 171 HG3 GLN 27 HG3 GLN 27 11.323 17.643 11.669 172 HE21 GLN 27 HE21 GLN 27 8.994 19.090 10.466 173 HE22 GLN 27 HE22 GLN 27 9.689 20.471 9.695 174 H CYS 28 H CYS 28 14.588 14.957 9.645 175 HA CYS 28 HA CYS 28 13.858 13.272 7.503 176 HB2 CYS 28 HB2 CYS 28 15.907 14.413 7.270 177 HB3 CYS 28 HB3 CYS 28 16.478 13.887 8.850 178 H CYS 29 H CYS 29 15.390 12.534 10.633 179 HA CYS 29 HA CYS 29 15.638 9.798 10.373 180 HB2 CYS 29 HB2 CYS 29 15.119 11.545 12.769 181 HB3 CYS 29 HB3 CYS 29 15.289 9.800 12.930 182 H GLY 30 H GLY 30 12.848 11.612 11.642 183 HA2 GLY 30 HA2 GLY 30 11.206 9.460 12.273 184 HA3 GLY 30 HA3 GLY 30 10.628 11.047 11.790 185 H GLY 31 H GLY 31 11.514 11.169 9.171 186 HA2 GLY 31 HA2 GLY 31 9.503 9.655 7.854 187 HA3 GLY 31 HA3 GLY 31 10.732 10.641 7.074 188 H VAL 32 H VAL 32 13.014 9.304 8.087 189 HA VAL 32 HA VAL 32 13.398 7.331 6.168 190 HB VAL 32 HB VAL 32 14.853 7.622 8.801 191 HG11 VAL 32 HG11 VAL 32 16.725 6.611 7.300 192 HG12 VAL 32 HG12 VAL 32 15.525 5.548 8.038 193 HG13 VAL 32 HG13 VAL 32 15.374 6.008 6.341 194 HG21 VAL 32 HG21 VAL 32 14.774 9.282 6.465 195 HG22 VAL 32 HG22 VAL 32 15.654 9.524 7.974 196 HG23 VAL 32 HG23 VAL 32 16.389 8.601 6.663 197 H LYS 33 H LYS 33 12.918 6.861 9.673 198 HA LYS 33 HA LYS 33 12.787 4.077 9.633 199 HB2 LYS 33 HB2 LYS 33 11.692 6.161 11.496 200 HB3 LYS 33 HB3 LYS 33 11.333 4.459 11.757 201 HG2 LYS 33 HG2 LYS 33 13.671 3.946 11.982 202 HG3 LYS 33 HG3 LYS 33 14.112 5.602 11.558 203 HD2 LYS 33 HD2 LYS 33 13.892 6.249 13.675 204 HD3 LYS 33 HD3 LYS 33 12.243 5.620 13.735 205 HE2 LYS 33 HE2 LYS 33 14.399 3.611 13.867 206 HE3 LYS 33 HE3 LYS 33 14.271 4.691 15.254 207 HZ1 LYS 33 HZ1 LYS 33 11.699 3.956 14.762 208 HZ2 LYS 33 HZ2 LYS 33 12.698 3.309 15.963 209 HZ3 LYS 33 HZ3 LYS 33 12.563 2.532 14.467 210 H LYS 34 H LYS 34 10.455 6.448 8.695 211 HA LYS 34 HA LYS 34 8.147 4.780 8.882 212 HB2 LYS 34 HB2 LYS 34 8.296 7.367 8.748 213 HB3 LYS 34 HB3 LYS 34 8.388 7.118 7.009 214 HG2 LYS 34 HG2 LYS 34 6.154 7.319 7.151 215 HG3 LYS 34 HG3 LYS 34 6.242 5.606 7.567 216 HD2 LYS 34 HD2 LYS 34 6.365 6.301 9.978 217 HD3 LYS 34 HD3 LYS 34 6.015 7.949 9.450 218 HE2 LYS 34 HE2 LYS 34 3.915 7.170 8.451 219 HE3 LYS 34 HE3 LYS 34 4.266 5.531 8.996 220 HZ1 LYS 34 HZ1 LYS 34 4.117 6.230 11.257 221 HZ2 LYS 34 HZ2 LYS 34 2.727 6.772 10.460 222 HZ3 LYS 34 HZ3 LYS 34 3.974 7.858 10.816 223 H LEU 35 H LEU 35 10.408 5.610 6.296 224 HA LEU 35 HA LEU 35 9.030 4.302 4.209 225 HB2 LEU 35 HB2 LEU 35 10.909 5.994 4.027 226 HB3 LEU 35 HB3 LEU 35 12.010 4.665 4.382 227 HG LEU 35 HG LEU 35 10.111 4.540 2.061 228 HD11 LEU 35 HD11 LEU 35 12.460 5.189 0.904 229 HD12 LEU 35 HD12 LEU 35 12.533 6.182 2.359 230 HD13 LEU 35 HD13 LEU 35 11.174 6.347 1.248 231 HD21 LEU 35 HD21 LEU 35 12.272 3.201 1.297 232 HD22 LEU 35 HD22 LEU 35 10.997 2.454 2.262 233 HD23 LEU 35 HD23 LEU 35 12.470 3.032 3.042 234 H LEU 36 H LEU 36 11.434 3.210 6.539 235 HA LEU 36 HA LEU 36 11.729 0.619 5.330 236 HB2 LEU 36 HB2 LEU 36 12.701 1.919 7.839 237 HB3 LEU 36 HB3 LEU 36 12.825 0.171 7.654 238 HG LEU 36 HG LEU 36 13.935 1.895 5.497 239 HD11 LEU 36 HD11 LEU 36 15.814 1.280 7.659 240 HD12 LEU 36 HD12 LEU 36 14.616 2.513 8.052 241 HD13 LEU 36 HD13 LEU 36 15.669 2.720 6.652 242 HD21 LEU 36 HD21 LEU 36 15.180 0.062 4.990 243 HD22 LEU 36 HD22 LEU 36 13.818 -0.744 5.768 244 HD23 LEU 36 HD23 LEU 36 15.306 -0.457 6.671 245 H ALA 37 H ALA 37 9.890 2.005 7.989 246 HA ALA 37 HA ALA 37 8.920 -0.505 8.965 247 HB1 ALA 37 HB1 ALA 37 9.028 1.296 10.511 248 HB2 ALA 37 HB2 ALA 37 8.058 2.336 9.466 249 HB3 ALA 37 HB3 ALA 37 7.320 0.939 10.251 250 H ALA 38 H ALA 38 7.995 1.666 6.452 251 HA ALA 38 HA ALA 38 5.284 0.662 6.257 252 HB1 ALA 38 HB1 ALA 38 5.752 3.003 5.738 253 HB2 ALA 38 HB2 ALA 38 6.810 2.502 4.418 254 HB3 ALA 38 HB3 ALA 38 5.082 2.158 4.342 255 H ALA 39 H ALA 39 8.262 -0.489 5.378 256 HA ALA 39 HA ALA 39 7.099 -2.082 3.187 257 HB1 ALA 39 HB1 ALA 39 8.720 -0.511 2.282 258 HB2 ALA 39 HB2 ALA 39 9.944 -1.105 3.405 259 HB3 ALA 39 HB3 ALA 39 9.315 -2.166 2.145 260 H ASN 40 H ASN 40 6.696 -4.011 4.084 261 HA ASN 40 HA ASN 40 8.722 -5.193 5.856 262 HB2 ASN 40 HB2 ASN 40 6.909 -6.745 6.552 263 HB3 ASN 40 HB3 ASN 40 6.521 -5.056 6.867 264 HD21 ASN 40 HD21 ASN 40 5.168 -3.965 5.259 265 HD22 ASN 40 HD22 ASN 40 3.942 -4.881 4.457 266 H THR 41 H THR 41 6.752 -5.822 2.997 267 HA THR 41 HA THR 41 8.003 -8.401 2.555 268 HB THR 41 HB THR 41 6.544 -8.647 0.671 269 HG1 THR 41 HG1 THR 41 5.564 -6.014 1.008 270 HG21 THR 41 HG21 THR 41 5.601 -8.706 3.069 271 HG22 THR 41 HG22 THR 41 4.458 -8.622 1.729 272 HG23 THR 41 HG23 THR 41 4.841 -7.170 2.654 273 H THR 42 H THR 42 8.386 -8.613 -0.078 274 HA THR 42 HA THR 42 10.801 -7.091 -0.487 275 HB THR 42 HB THR 42 9.718 -8.828 -2.648 276 HG1 THR 42 HG1 THR 42 9.735 -10.586 -1.464 277 HG21 THR 42 HG21 THR 42 11.847 -8.002 -3.119 278 HG22 THR 42 HG22 THR 42 12.178 -9.609 -2.472 279 HG23 THR 42 HG23 THR 42 12.392 -8.187 -1.452 280 HA PRO 43 HA PRO 43 7.991 -5.837 -4.421 281 HB2 PRO 43 HB2 PRO 43 5.503 -5.707 -2.780 282 HB3 PRO 43 HB3 PRO 43 5.707 -6.131 -4.484 283 HG2 PRO 43 HG2 PRO 43 5.281 -8.007 -2.618 284 HG3 PRO 43 HG3 PRO 43 6.344 -8.299 -4.007 285 HD2 PRO 43 HD2 PRO 43 7.022 -7.842 -1.168 286 HD3 PRO 43 HD3 PRO 43 7.888 -8.766 -2.412 287 H ASP 44 H ASP 44 7.208 -4.873 -1.092 288 HA ASP 44 HA ASP 44 6.710 -2.154 -1.662 289 HB2 ASP 44 HB2 ASP 44 7.235 -3.759 0.787 290 HB3 ASP 44 HB3 ASP 44 7.454 -2.015 0.903 291 H ARG 45 H ARG 45 9.604 -3.760 -0.342 292 HA ARG 45 HA ARG 45 11.227 -1.496 -0.187 293 HB2 ARG 45 HB2 ARG 45 11.698 -4.429 -0.316 294 HB3 ARG 45 HB3 ARG 45 13.072 -3.380 -0.636 295 HG2 ARG 45 HG2 ARG 45 13.379 -3.301 1.558 296 HG3 ARG 45 HG3 ARG 45 11.925 -2.304 1.641 297 HD2 ARG 45 HD2 ARG 45 10.615 -4.033 2.362 298 HD3 ARG 45 HD3 ARG 45 11.589 -5.254 1.544 299 HE ARG 45 HE ARG 45 11.961 -4.232 4.213 300 HH11 ARG 45 HH11 ARG 45 13.449 -5.839 1.507 301 HH12 ARG 45 HH12 ARG 45 14.683 -6.590 2.464 302 HH21 ARG 45 HH21 ARG 45 13.580 -5.214 5.484 303 HH22 ARG 45 HH22 ARG 45 14.756 -6.235 4.726 304 H GLN 46 H GLN 46 10.265 -3.403 -2.911 305 HA GLN 46 HA GLN 46 12.358 -2.634 -4.675 306 HB2 GLN 46 HB2 GLN 46 9.716 -3.971 -4.937 307 HB3 GLN 46 HB3 GLN 46 10.396 -3.245 -6.388 308 HG2 GLN 46 HG2 GLN 46 12.015 -4.792 -6.569 309 HG3 GLN 46 HG3 GLN 46 12.240 -4.919 -4.825 310 HE21 GLN 46 HE21 GLN 46 10.645 -6.168 -7.600 311 HE22 GLN 46 HE22 GLN 46 9.861 -7.498 -6.824 312 H ALA 47 H ALA 47 9.005 -1.504 -4.284 313 HA ALA 47 HA ALA 47 9.064 0.490 -6.239 314 HB1 ALA 47 HB1 ALA 47 7.293 1.539 -4.551 315 HB2 ALA 47 HB2 ALA 47 6.928 0.136 -5.555 316 HB3 ALA 47 HB3 ALA 47 7.386 -0.083 -3.866 317 H ALA 48 H ALA 48 9.460 0.879 -2.712 318 HA ALA 48 HA ALA 48 10.084 3.565 -2.657 319 HB1 ALA 48 HB1 ALA 48 9.733 1.917 -0.718 320 HB2 ALA 48 HB2 ALA 48 11.467 1.620 -0.843 321 HB3 ALA 48 HB3 ALA 48 10.874 3.242 -0.488 322 H CYS 49 H CYS 49 12.399 0.854 -2.803 323 HA CYS 49 HA CYS 49 14.757 2.238 -2.924 324 HB2 CYS 49 HB2 CYS 49 13.838 -0.362 -4.048 325 HB3 CYS 49 HB3 CYS 49 15.380 0.270 -4.616 326 H ASN 50 H ASN 50 12.637 1.427 -5.659 327 HA ASN 50 HA ASN 50 14.178 2.518 -7.702 328 HB2 ASN 50 HB2 ASN 50 11.158 2.442 -7.523 329 HB3 ASN 50 HB3 ASN 50 12.101 2.629 -8.998 330 HD21 ASN 50 HD21 ASN 50 10.170 0.578 -8.260 331 HD22 ASN 50 HD22 ASN 50 11.006 -0.930 -8.372 332 H CYS 51 H CYS 51 11.840 4.052 -5.548 333 HA CYS 51 HA CYS 51 11.965 6.599 -6.851 334 HB2 CYS 51 HB2 CYS 51 10.820 5.635 -4.239 335 HB3 CYS 51 HB3 CYS 51 10.849 7.348 -4.647 336 H LEU 52 H LEU 52 13.714 5.019 -4.287 337 HA LEU 52 HA LEU 52 14.923 7.386 -3.234 338 HB2 LEU 52 HB2 LEU 52 15.236 4.462 -2.859 339 HB3 LEU 52 HB3 LEU 52 16.596 5.486 -2.405 340 HG LEU 52 HG LEU 52 13.796 5.752 -1.313 341 HD11 LEU 52 HD11 LEU 52 16.227 4.669 0.088 342 HD12 LEU 52 HD12 LEU 52 15.015 3.646 -0.681 343 HD13 LEU 52 HD13 LEU 52 14.560 4.692 0.664 344 HD21 LEU 52 HD21 LEU 52 15.614 6.944 0.401 345 HD22 LEU 52 HD22 LEU 52 14.506 7.770 -0.696 346 HD23 LEU 52 HD23 LEU 52 16.159 7.425 -1.206 347 H LYS 53 H LYS 53 16.235 4.680 -5.154 348 HA LYS 53 HA LYS 53 18.753 5.682 -5.644 349 HB2 LYS 53 HB2 LYS 53 17.529 3.438 -6.366 350 HB3 LYS 53 HB3 LYS 53 17.342 4.307 -7.884 351 HG2 LYS 53 HG2 LYS 53 19.571 4.264 -8.347 352 HG3 LYS 53 HG3 LYS 53 20.038 4.242 -6.645 353 HD2 LYS 53 HD2 LYS 53 20.553 2.109 -7.671 354 HD3 LYS 53 HD3 LYS 53 19.258 1.908 -6.488 355 HE2 LYS 53 HE2 LYS 53 18.900 0.681 -8.634 356 HE3 LYS 53 HE3 LYS 53 17.607 1.802 -8.210 357 HZ1 LYS 53 HZ1 LYS 53 19.790 2.715 -9.953 358 HZ2 LYS 53 HZ2 LYS 53 18.185 3.243 -9.880 359 HZ3 LYS 53 HZ3 LYS 53 18.556 1.762 -10.608 360 H SER 54 H SER 54 15.749 6.355 -7.384 361 HA SER 54 HA SER 54 17.005 7.999 -9.362 362 HB2 SER 54 HB2 SER 54 14.082 7.861 -8.587 363 HB3 SER 54 HB3 SER 54 14.739 8.537 -10.077 364 HG SER 54 HG SER 54 14.114 6.488 -10.568 365 H ALA 55 H ALA 55 15.657 8.504 -6.202 366 HA ALA 55 HA ALA 55 15.340 11.335 -6.422 367 HB1 ALA 55 HB1 ALA 55 15.163 11.233 -3.927 368 HB2 ALA 55 HB2 ALA 55 14.033 10.190 -4.790 369 HB3 ALA 55 HB3 ALA 55 15.471 9.500 -4.037 370 H ALA 56 H ALA 56 17.758 9.281 -4.795 371 HA ALA 56 HA ALA 56 19.434 11.411 -4.003 372 HB1 ALA 56 HB1 ALA 56 19.441 9.105 -3.036 373 HB2 ALA 56 HB2 ALA 56 20.279 8.561 -4.490 374 HB3 ALA 56 HB3 ALA 56 21.039 9.743 -3.424 375 H GLY 57 H GLY 57 18.871 10.018 -7.045 376 HA2 GLY 57 HA2 GLY 57 21.384 10.179 -8.270 377 HA3 GLY 57 HA3 GLY 57 19.842 10.322 -9.101 378 H SER 58 H SER 58 19.324 12.684 -7.175 379 HA SER 58 HA SER 58 20.491 14.672 -8.957 380 HB2 SER 58 HB2 SER 58 18.122 14.900 -8.549 381 HB3 SER 58 HB3 SER 58 18.374 14.877 -6.804 382 HG SER 58 HG SER 58 18.285 16.981 -8.325 383 H ILE 59 H ILE 59 21.507 13.165 -6.276 384 HA ILE 59 HA ILE 59 22.462 15.452 -4.783 385 HB ILE 59 HB ILE 59 23.154 12.535 -4.422 386 HG12 ILE 59 HG12 ILE 59 21.040 14.230 -3.074 387 HG13 ILE 59 HG13 ILE 59 20.747 12.898 -4.187 388 HG21 ILE 59 HG21 ILE 59 23.816 13.222 -2.162 389 HG22 ILE 59 HG22 ILE 59 24.770 14.034 -3.402 390 HG23 ILE 59 HG23 ILE 59 23.473 14.901 -2.580 391 HD11 ILE 59 HD11 ILE 59 21.818 11.371 -2.567 392 HD12 ILE 59 HD12 ILE 59 21.962 12.723 -1.442 393 HD13 ILE 59 HD13 ILE 59 20.368 12.158 -1.943 394 H THR 60 H THR 60 24.087 16.596 -5.608 395 HA THR 60 HA THR 60 26.002 15.529 -7.429 396 HB THR 60 HB THR 60 25.445 17.857 -7.615 397 HG1 THR 60 HG1 THR 60 27.642 17.285 -8.063 398 HG21 THR 60 HG21 THR 60 25.532 17.810 -4.789 399 HG22 THR 60 HG22 THR 60 25.062 19.146 -5.840 400 HG23 THR 60 HG23 THR 60 26.740 18.976 -5.327 401 H LYS 61 H LYS 61 27.805 14.452 -6.995 402 HA LYS 61 HA LYS 61 29.558 13.524 -5.882 403 HB2 LYS 61 HB2 LYS 61 29.395 16.256 -4.659 404 HB3 LYS 61 HB3 LYS 61 30.543 15.082 -4.027 405 HG2 LYS 61 HG2 LYS 61 31.048 14.910 -6.681 406 HG3 LYS 61 HG3 LYS 61 30.582 16.606 -6.533 407 HD2 LYS 61 HD2 LYS 61 32.656 17.022 -5.835 408 HD3 LYS 61 HD3 LYS 61 32.266 16.130 -4.362 409 HE2 LYS 61 HE2 LYS 61 33.325 14.223 -5.075 410 HE3 LYS 61 HE3 LYS 61 33.094 14.603 -6.781 411 HZ1 LYS 61 HZ1 LYS 61 35.242 15.359 -4.994 412 HZ2 LYS 61 HZ2 LYS 61 34.698 16.596 -6.011 413 HZ3 LYS 61 HZ3 LYS 61 35.254 15.141 -6.672 414 H LEU 62 H LEU 62 27.270 12.424 -5.101 415 HA LEU 62 HA LEU 62 26.439 12.569 -2.480 416 HB2 LEU 62 HB2 LEU 62 25.262 11.224 -4.068 417 HB3 LEU 62 HB3 LEU 62 26.664 10.181 -4.300 418 HG LEU 62 HG LEU 62 26.267 9.754 -1.696 419 HD11 LEU 62 HD11 LEU 62 24.408 10.863 -1.067 420 HD12 LEU 62 HD12 LEU 62 23.597 9.459 -1.760 421 HD13 LEU 62 HD13 LEU 62 23.764 10.938 -2.707 422 HD21 LEU 62 HD21 LEU 62 24.466 7.989 -2.790 423 HD22 LEU 62 HD22 LEU 62 26.216 7.774 -2.725 424 HD23 LEU 62 HD23 LEU 62 25.463 8.448 -4.171 425 H ASN 63 H ASN 63 27.105 11.762 -0.542 426 HA ASN 63 HA ASN 63 29.824 10.649 -0.476 427 HB2 ASN 63 HB2 ASN 63 29.018 12.834 0.792 428 HB3 ASN 63 HB3 ASN 63 28.465 11.661 1.984 429 HD21 ASN 63 HD21 ASN 63 30.792 13.707 1.588 430 HD22 ASN 63 HD22 ASN 63 32.151 12.842 2.213 431 H THR 64 H THR 64 29.662 8.482 -0.535 432 HA THR 64 HA THR 64 27.588 6.893 0.370 433 HB THR 64 HB THR 64 29.374 5.071 0.584 434 HG1 THR 64 HG1 THR 64 31.356 5.890 -0.624 435 HG21 THR 64 HG21 THR 64 28.245 6.365 -1.681 436 HG22 THR 64 HG22 THR 64 28.758 4.685 -1.521 437 HG23 THR 64 HG23 THR 64 29.899 5.906 -2.084 438 H ASN 65 H ASN 65 30.303 8.233 2.144 439 HA ASN 65 HA ASN 65 29.986 6.677 4.491 440 HB2 ASN 65 HB2 ASN 65 31.459 9.157 3.751 441 HB3 ASN 65 HB3 ASN 65 31.189 8.855 5.465 442 HD21 ASN 65 HD21 ASN 65 33.681 8.908 4.960 443 HD22 ASN 65 HD22 ASN 65 34.397 7.344 4.794 444 H ASN 66 H ASN 66 28.796 9.876 3.535 445 HA ASN 66 HA ASN 66 27.494 10.426 5.998 446 HB2 ASN 66 HB2 ASN 66 26.910 11.576 3.260 447 HB3 ASN 66 HB3 ASN 66 26.427 12.268 4.806 448 HD21 ASN 66 HD21 ASN 66 27.775 13.848 3.149 449 HD22 ASN 66 HD22 ASN 66 29.399 14.086 3.689 450 H ALA 67 H ALA 67 26.444 8.999 2.945 451 HA ALA 67 HA ALA 67 23.694 8.903 3.442 452 HB1 ALA 67 HB1 ALA 67 24.208 8.416 1.260 453 HB2 ALA 67 HB2 ALA 67 25.551 7.358 1.696 454 HB3 ALA 67 HB3 ALA 67 23.890 6.800 1.892 455 H ALA 68 H ALA 68 26.283 6.681 4.348 456 HA ALA 68 HA ALA 68 24.508 4.721 5.460 457 HB1 ALA 68 HB1 ALA 68 27.454 5.080 5.299 458 HB2 ALA 68 HB2 ALA 68 26.810 3.986 6.524 459 HB3 ALA 68 HB3 ALA 68 26.452 3.710 4.819 460 H ALA 69 H ALA 69 26.141 7.560 6.620 461 HA ALA 69 HA ALA 69 25.935 6.945 9.404 462 HB1 ALA 69 HB1 ALA 69 26.364 9.587 8.014 463 HB2 ALA 69 HB2 ALA 69 26.542 9.301 9.745 464 HB3 ALA 69 HB3 ALA 69 27.619 8.497 8.604 465 H LEU 70 H LEU 70 23.818 8.313 7.030 466 HA LEU 70 HA LEU 70 22.094 9.807 8.633 467 HB2 LEU 70 HB2 LEU 70 21.674 10.105 6.408 468 HB3 LEU 70 HB3 LEU 70 21.865 8.393 6.032 469 HG LEU 70 HG LEU 70 19.648 7.932 6.929 470 HD11 LEU 70 HD11 LEU 70 18.209 9.586 7.786 471 HD12 LEU 70 HD12 LEU 70 19.278 10.894 7.279 472 HD13 LEU 70 HD13 LEU 70 19.753 9.830 8.603 473 HD21 LEU 70 HD21 LEU 70 18.349 9.434 5.284 474 HD22 LEU 70 HD22 LEU 70 19.567 8.332 4.641 475 HD23 LEU 70 HD23 LEU 70 19.939 10.047 4.827 476 HA PRO 71 HA PRO 71 19.441 5.808 9.226 477 HB2 PRO 71 HB2 PRO 71 20.584 3.449 8.521 478 HB3 PRO 71 HB3 PRO 71 19.629 4.426 7.400 479 HG2 PRO 71 HG2 PRO 71 22.602 4.235 7.686 480 HG3 PRO 71 HG3 PRO 71 21.621 4.275 6.210 481 HD2 PRO 71 HD2 PRO 71 22.918 6.456 7.156 482 HD3 PRO 71 HD3 PRO 71 21.376 6.566 6.284 483 H GLY 72 H GLY 72 22.941 5.267 9.545 484 HA2 GLY 72 HA2 GLY 72 22.794 3.659 11.866 485 HA3 GLY 72 HA3 GLY 72 24.213 4.535 11.311 486 H LYS 73 H LYS 73 23.021 7.145 11.410 487 HA LYS 73 HA LYS 73 23.434 7.692 14.197 488 HB2 LYS 73 HB2 LYS 73 22.778 9.425 11.819 489 HB3 LYS 73 HB3 LYS 73 22.896 10.076 13.449 490 HG2 LYS 73 HG2 LYS 73 25.208 8.490 12.894 491 HG3 LYS 73 HG3 LYS 73 24.963 9.658 11.593 492 HD2 LYS 73 HD2 LYS 73 24.557 11.301 13.623 493 HD3 LYS 73 HD3 LYS 73 25.541 10.111 14.479 494 HE2 LYS 73 HE2 LYS 73 27.303 10.364 12.801 495 HE3 LYS 73 HE3 LYS 73 26.317 11.545 11.939 496 HZ1 LYS 73 HZ1 LYS 73 27.302 13.070 13.193 497 HZ2 LYS 73 HZ2 LYS 73 27.998 11.913 14.211 498 HZ3 LYS 73 HZ3 LYS 73 26.430 12.471 14.513 499 H CYS 74 H CYS 74 20.695 7.354 12.079 500 HA CYS 74 HA CYS 74 18.836 8.540 13.949 501 HB2 CYS 74 HB2 CYS 74 18.493 7.117 11.310 502 HB3 CYS 74 HB3 CYS 74 17.126 7.647 12.284 503 H GLY 75 H GLY 75 20.480 5.746 14.011 504 HA2 GLY 75 HA2 GLY 75 20.224 3.844 15.282 505 HA3 GLY 75 HA3 GLY 75 18.743 4.543 15.920 506 H VAL 76 H VAL 76 18.726 4.467 12.553 507 HA VAL 76 HA VAL 76 17.206 1.939 12.562 508 HB VAL 76 HB VAL 76 15.662 3.770 12.263 509 HG11 VAL 76 HG11 VAL 76 17.219 4.619 9.832 510 HG12 VAL 76 HG12 VAL 76 15.862 5.446 10.598 511 HG13 VAL 76 HG13 VAL 76 17.423 5.365 11.416 512 HG21 VAL 76 HG21 VAL 76 16.185 2.445 9.604 513 HG22 VAL 76 HG22 VAL 76 15.313 1.710 10.949 514 HG23 VAL 76 HG23 VAL 76 14.659 3.140 10.151 515 H ASN 77 H ASN 77 18.119 0.408 11.377 516 HA ASN 77 HA ASN 77 20.045 1.156 9.305 517 HB2 ASN 77 HB2 ASN 77 20.522 -1.370 9.360 518 HB3 ASN 77 HB3 ASN 77 20.993 -0.425 10.769 519 HD21 ASN 77 HD21 ASN 77 20.137 -0.897 12.706 520 HD22 ASN 77 HD22 ASN 77 18.965 -2.135 12.983 521 H ILE 78 H ILE 78 20.012 0.091 7.234 522 HA ILE 78 HA ILE 78 17.279 -0.609 6.386 523 HB ILE 78 HB ILE 78 18.143 0.015 4.067 524 HG12 ILE 78 HG12 ILE 78 20.574 0.064 5.110 525 HG13 ILE 78 HG13 ILE 78 20.130 1.148 3.797 526 HG21 ILE 78 HG21 ILE 78 17.974 2.535 4.673 527 HG22 ILE 78 HG22 ILE 78 16.587 1.481 4.944 528 HG23 ILE 78 HG23 ILE 78 17.625 1.938 6.295 529 HD11 ILE 78 HD11 ILE 78 19.761 2.063 6.601 530 HD12 ILE 78 HD12 ILE 78 21.382 2.036 5.906 531 HD13 ILE 78 HD13 ILE 78 20.112 2.993 5.144 532 HA PRO 79 HA PRO 79 18.582 -4.622 5.169 533 HB2 PRO 79 HB2 PRO 79 16.982 -5.058 3.019 534 HB3 PRO 79 HB3 PRO 79 16.379 -5.056 4.681 535 HG2 PRO 79 HG2 PRO 79 16.271 -2.883 2.624 536 HG3 PRO 79 HG3 PRO 79 15.012 -3.420 3.752 537 HD2 PRO 79 HD2 PRO 79 16.521 -1.216 4.195 538 HD3 PRO 79 HD3 PRO 79 15.908 -2.234 5.513 539 H TYR 80 H TYR 80 18.544 -2.091 2.726 540 HA TYR 80 HA TYR 80 20.766 -3.462 1.361 541 HB2 TYR 80 HB2 TYR 80 18.786 -1.663 -0.032 542 HB3 TYR 80 HB3 TYR 80 19.975 -2.737 -0.762 543 HD1 TYR 80 HD2 TYR 80 19.597 -5.275 0.493 544 HD2 TYR 80 HD1 TYR 80 16.660 -2.382 -0.560 545 HE1 TYR 80 HE2 TYR 80 17.905 -7.054 0.347 546 HE2 TYR 80 HE1 TYR 80 14.959 -4.153 -0.707 547 HH TYR 80 HH TYR 80 15.755 -7.530 0.043 548 H LYS 81 H LYS 81 21.676 -1.604 -0.304 549 HA LYS 81 HA LYS 81 22.650 0.473 1.507 550 HB2 LYS 81 HB2 LYS 81 24.348 0.862 -0.299 551 HB3 LYS 81 HB3 LYS 81 24.392 -0.745 0.413 552 HG2 LYS 81 HG2 LYS 81 22.634 -0.794 -1.824 553 HG3 LYS 81 HG3 LYS 81 24.152 -0.036 -2.308 554 HD2 LYS 81 HD2 LYS 81 25.120 -2.107 -0.907 555 HD3 LYS 81 HD3 LYS 81 23.597 -2.814 -1.451 556 HE2 LYS 81 HE2 LYS 81 24.161 -2.542 -3.718 557 HE3 LYS 81 HE3 LYS 81 25.469 -1.422 -3.343 558 HZ1 LYS 81 HZ1 LYS 81 26.754 -3.221 -3.565 559 HZ2 LYS 81 HZ2 LYS 81 25.470 -4.306 -3.379 560 HZ3 LYS 81 HZ3 LYS 81 26.217 -3.638 -2.016 561 H ILE 82 H ILE 82 23.249 2.590 0.207 562 HA ILE 82 HA ILE 82 20.962 3.354 -1.476 563 HB ILE 82 HB ILE 82 22.094 5.025 0.771 564 HG12 ILE 82 HG12 ILE 82 19.542 4.766 1.445 565 HG13 ILE 82 HG13 ILE 82 19.683 3.282 0.508 566 HG21 ILE 82 HG21 ILE 82 21.200 6.789 -0.231 567 HG22 ILE 82 HG22 ILE 82 20.727 5.774 -1.592 568 HG23 ILE 82 HG23 ILE 82 19.623 6.001 -0.237 569 HD11 ILE 82 HD11 ILE 82 20.637 2.263 2.217 570 HD12 ILE 82 HD12 ILE 82 21.904 3.489 2.286 571 HD13 ILE 82 HD13 ILE 82 20.403 3.720 3.183 572 H SER 83 H SER 83 22.133 3.390 -3.360 573 HA SER 83 HA SER 83 23.773 5.705 -3.795 574 HB2 SER 83 HB2 SER 83 25.019 2.953 -3.985 575 HB3 SER 83 HB3 SER 83 25.745 4.422 -4.638 576 HG SER 83 HG SER 83 26.597 4.488 -2.702 577 H THR 84 H THR 84 24.877 5.265 -6.168 578 HA THR 84 HA THR 84 22.590 4.998 -7.902 579 HB THR 84 HB THR 84 24.471 5.375 -9.693 580 HG1 THR 84 HG1 THR 84 26.376 5.416 -8.765 581 HG21 THR 84 HG21 THR 84 24.503 7.889 -8.554 582 HG22 THR 84 HG22 THR 84 23.028 7.169 -7.909 583 HG23 THR 84 HG23 THR 84 23.273 7.266 -9.652 584 H THR 85 H THR 85 24.550 2.773 -6.537 585 HA THR 85 HA THR 85 24.259 0.934 -8.820 586 HB THR 85 HB THR 85 26.298 -0.242 -8.077 587 HG1 THR 85 HG1 THR 85 27.532 0.576 -6.435 588 HG21 THR 85 HG21 THR 85 26.443 1.475 -9.832 589 HG22 THR 85 HG22 THR 85 27.917 1.405 -8.865 590 HG23 THR 85 HG23 THR 85 26.748 2.699 -8.600 591 H THR 86 H THR 86 22.288 1.243 -6.890 592 HA THR 86 HA THR 86 22.592 -1.151 -5.203 593 HB THR 86 HB THR 86 20.779 1.244 -4.883 594 HG1 THR 86 HG1 THR 86 23.155 1.059 -4.146 595 HG21 THR 86 HG21 THR 86 19.347 -0.253 -3.978 596 HG22 THR 86 HG22 THR 86 20.450 -0.179 -2.604 597 HG23 THR 86 HG23 THR 86 20.594 -1.484 -3.782 598 H ASN 87 H ASN 87 21.556 -2.908 -5.860 599 HA ASN 87 HA ASN 87 19.190 -2.587 -7.584 600 HB2 ASN 87 HB2 ASN 87 21.407 -3.856 -8.311 601 HB3 ASN 87 HB3 ASN 87 20.656 -5.182 -7.427 602 HD21 ASN 87 HD21 ASN 87 21.186 -5.231 -10.167 603 HD22 ASN 87 HD22 ASN 87 19.681 -5.293 -11.014 604 H CYS 88 H CYS 88 17.592 -2.518 -6.042 605 HA CYS 88 HA CYS 88 17.480 -4.459 -3.913 606 HB2 CYS 88 HB2 CYS 88 15.407 -2.446 -4.813 607 HB3 CYS 88 HB3 CYS 88 15.377 -3.358 -3.307 608 H ASN 89 H ASN 89 15.737 -3.843 -6.934 609 HA ASN 89 HA ASN 89 13.752 -5.762 -6.732 610 HB2 ASN 89 HB2 ASN 89 13.980 -5.843 -9.309 611 HB3 ASN 89 HB3 ASN 89 13.558 -4.308 -8.556 612 HD21 ASN 89 HD21 ASN 89 15.606 -5.849 -10.683 613 HD22 ASN 89 HD22 ASN 89 16.811 -4.619 -10.832 614 H THR 90 H THR 90 17.139 -6.127 -7.525 615 HA THR 90 HA THR 90 16.757 -9.047 -7.557 616 HB THR 90 HB THR 90 18.905 -8.948 -9.088 617 HG1 THR 90 HG1 THR 90 18.381 -7.045 -10.582 618 HG21 THR 90 HG21 THR 90 16.904 -10.022 -9.822 619 HG22 THR 90 HG22 THR 90 17.386 -8.901 -11.095 620 HG23 THR 90 HG23 THR 90 16.070 -8.479 -10.000 621 H VAL 91 H VAL 91 17.245 -8.414 -5.196 622 HA VAL 91 HA VAL 91 19.941 -7.732 -4.533 623 HB VAL 91 HB VAL 91 17.775 -8.937 -2.806 624 HG11 VAL 91 HG11 VAL 91 19.269 -7.760 -1.013 625 HG12 VAL 91 HG12 VAL 91 19.683 -9.374 -1.593 626 HG13 VAL 91 HG13 VAL 91 20.535 -7.964 -2.223 627 HG21 VAL 91 HG21 VAL 91 16.894 -6.902 -2.596 628 HG22 VAL 91 HG22 VAL 91 18.473 -6.173 -2.305 629 HG23 VAL 91 HG23 VAL 91 17.904 -6.413 -3.957 630 H LYS 92 H LYS 92 21.642 -9.027 -4.622 631 HA LYS 92 HA LYS 92 21.286 -11.895 -4.888 632 HB2 LYS 92 HB2 LYS 92 23.563 -9.991 -5.253 633 HB3 LYS 92 HB3 LYS 92 23.910 -11.698 -5.011 634 HG2 LYS 92 HG2 LYS 92 21.898 -10.960 -7.066 635 HG3 LYS 92 HG3 LYS 92 23.603 -10.666 -7.417 636 HD2 LYS 92 HD2 LYS 92 24.007 -12.840 -7.737 637 HD3 LYS 92 HD3 LYS 92 23.152 -13.293 -6.260 638 HE2 LYS 92 HE2 LYS 92 21.853 -14.310 -7.864 639 HE3 LYS 92 HE3 LYS 92 21.023 -12.767 -7.677 640 HZ1 LYS 92 HZ1 LYS 92 22.412 -13.835 -9.955 641 HZ2 LYS 92 HZ2 LYS 92 22.860 -12.245 -9.592 642 HZ3 LYS 92 HZ3 LYS 92 21.236 -12.621 -9.878 643 H PHE 93 H PHE 93 21.077 -13.074 -3.106 644 HA PHE 93 HA PHE 93 21.315 -13.841 -0.974 645 HB2 PHE 93 HB2 PHE 93 24.062 -13.114 -1.859 646 HB3 PHE 93 HB3 PHE 93 23.834 -13.486 -0.154 647 HD1 PHE 93 HD1 PHE 93 23.040 -14.851 -3.528 648 HD2 PHE 93 HD2 PHE 93 23.985 -15.676 0.539 649 HE1 PHE 93 HE1 PHE 93 23.149 -17.254 -4.045 650 HE2 PHE 93 HE2 PHE 93 24.097 -18.080 0.029 651 HZ PHE 93 HZ PHE 93 23.679 -18.872 -2.265 Start of MODEL 8 1 H1 ALA 1 H ALA 1 -0.223 0.115 -0.356 2 HA ALA 1 HA ALA 1 2.345 -0.053 0.246 3 HB1 ALA 1 HB1 ALA 1 2.846 -0.407 -2.223 4 HB2 ALA 1 HB2 ALA 1 1.579 -1.408 -1.514 5 HB3 ALA 1 HB3 ALA 1 1.150 -0.017 -2.510 6 H ILE 2 H ILE 2 4.356 0.805 -0.741 7 HA ILE 2 HA ILE 2 4.402 3.661 -0.525 8 HB ILE 2 HB ILE 2 6.593 1.723 -1.277 9 HG12 ILE 2 HG12 ILE 2 7.315 2.542 1.131 10 HG13 ILE 2 HG13 ILE 2 5.592 2.863 1.300 11 HG21 ILE 2 HG21 ILE 2 6.510 4.666 -1.098 12 HG22 ILE 2 HG22 ILE 2 7.895 3.879 -0.344 13 HG23 ILE 2 HG23 ILE 2 7.553 3.615 -2.054 14 HD11 ILE 2 HD11 ILE 2 6.613 0.196 0.400 15 HD12 ILE 2 HD12 ILE 2 6.466 0.615 2.107 16 HD13 ILE 2 HD13 ILE 2 5.037 0.608 1.074 17 H SER 3 H SER 3 3.988 5.039 -2.108 18 HA SER 3 HA SER 3 4.112 4.128 -4.882 19 HB2 SER 3 HB2 SER 3 2.050 5.190 -4.401 20 HB3 SER 3 HB3 SER 3 2.839 6.512 -3.541 21 HG SER 3 HG SER 3 2.859 5.996 -6.328 22 H CYS 4 H CYS 4 4.764 7.319 -3.457 23 HA CYS 4 HA CYS 4 7.517 7.376 -4.026 24 HB2 CYS 4 HB2 CYS 4 6.117 7.496 -6.356 25 HB3 CYS 4 HB3 CYS 4 6.252 9.207 -5.964 26 H GLY 5 H GLY 5 4.529 9.253 -3.820 27 HA2 GLY 5 HA2 GLY 5 5.588 11.729 -3.115 28 HA3 GLY 5 HA3 GLY 5 4.008 11.139 -2.621 29 H ALA 6 H ALA 6 5.032 8.881 -1.130 30 HA ALA 6 HA ALA 6 5.505 10.211 1.357 31 HB1 ALA 6 HB1 ALA 6 4.286 8.339 1.760 32 HB2 ALA 6 HB2 ALA 6 5.071 7.415 0.479 33 HB3 ALA 6 HB3 ALA 6 5.894 7.663 2.019 34 H VAL 7 H VAL 7 7.486 8.561 -1.001 35 HA VAL 7 HA VAL 7 9.786 8.297 0.681 36 HB VAL 7 HB VAL 7 9.713 8.271 -2.337 37 HG11 VAL 7 HG11 VAL 7 11.878 7.778 -2.251 38 HG12 VAL 7 HG12 VAL 7 11.840 8.145 -0.525 39 HG13 VAL 7 HG13 VAL 7 11.591 6.490 -1.082 40 HG21 VAL 7 HG21 VAL 7 8.085 6.686 -1.383 41 HG22 VAL 7 HG22 VAL 7 9.416 5.869 -2.202 42 HG23 VAL 7 HG23 VAL 7 9.380 5.948 -0.441 43 H THR 8 H THR 8 8.818 10.551 -1.884 44 HA THR 8 HA THR 8 11.185 12.101 -1.821 45 HB THR 8 HB THR 8 8.567 13.319 -2.606 46 HG1 THR 8 HG1 THR 8 8.727 12.178 -4.606 47 HG21 THR 8 HG21 THR 8 11.434 13.580 -3.312 48 HG22 THR 8 HG22 THR 8 10.190 14.819 -3.151 49 HG23 THR 8 HG23 THR 8 10.267 13.830 -4.609 50 H SER 9 H SER 9 8.369 12.022 0.175 51 HA SER 9 HA SER 9 8.438 14.650 1.191 52 HB2 SER 9 HB2 SER 9 6.669 12.690 1.451 53 HB3 SER 9 HB3 SER 9 7.564 12.390 2.940 54 HG SER 9 HG SER 9 7.245 14.837 3.160 55 H ASP 10 H ASP 10 9.781 11.620 2.493 56 HA ASP 10 HA ASP 10 11.123 12.950 4.646 57 HB2 ASP 10 HB2 ASP 10 11.864 10.205 3.688 58 HB3 ASP 10 HB3 ASP 10 11.826 10.835 5.332 59 H LEU 11 H LEU 11 11.848 12.301 1.358 60 HA LEU 11 HA LEU 11 14.684 12.280 1.543 61 HB2 LEU 11 HB2 LEU 11 12.715 12.670 -0.672 62 HB3 LEU 11 HB3 LEU 11 14.427 12.983 -0.949 63 HG LEU 11 HG LEU 11 13.502 10.346 0.138 64 HD11 LEU 11 HD11 LEU 11 13.349 11.349 -2.670 65 HD12 LEU 11 HD12 LEU 11 12.214 10.341 -1.773 66 HD13 LEU 11 HD13 LEU 11 13.730 9.655 -2.358 67 HD21 LEU 11 HD21 LEU 11 15.627 9.985 -1.566 68 HD22 LEU 11 HD22 LEU 11 15.722 10.108 0.191 69 HD23 LEU 11 HD23 LEU 11 15.986 11.537 -0.810 70 H SER 12 H SER 12 12.270 14.800 1.161 71 HA SER 12 HA SER 12 13.856 16.924 0.356 72 HB2 SER 12 HB2 SER 12 11.311 16.668 1.877 73 HB3 SER 12 HB3 SER 12 12.130 18.229 1.933 74 HG SER 12 HG SER 12 10.738 18.206 0.180 75 HA PRO 13 HA PRO 13 14.752 17.935 4.997 76 HB2 PRO 13 HB2 PRO 13 14.108 16.036 6.827 77 HB3 PRO 13 HB3 PRO 13 12.985 17.304 6.324 78 HG2 PRO 13 HG2 PRO 13 13.153 14.455 5.420 79 HG3 PRO 13 HG3 PRO 13 11.720 15.419 5.820 80 HD2 PRO 13 HD2 PRO 13 12.509 14.972 3.268 81 HD3 PRO 13 HD3 PRO 13 11.699 16.471 3.768 82 H CYS 14 H CYS 14 15.122 14.698 3.753 83 HA CYS 14 HA CYS 14 17.500 14.146 5.301 84 HB2 CYS 14 HB2 CYS 14 15.982 12.670 3.167 85 HB3 CYS 14 HB3 CYS 14 17.584 12.135 3.664 86 H LEU 15 H LEU 15 16.750 15.756 2.409 87 HA LEU 15 HA LEU 15 19.066 15.222 0.887 88 HB2 LEU 15 HB2 LEU 15 16.933 17.278 0.888 89 HB3 LEU 15 HB3 LEU 15 18.428 17.674 0.042 90 HG LEU 15 HG LEU 15 16.610 15.336 -0.537 91 HD11 LEU 15 HD11 LEU 15 15.826 16.485 -2.360 92 HD12 LEU 15 HD12 LEU 15 17.242 17.531 -2.450 93 HD13 LEU 15 HD13 LEU 15 16.027 17.799 -1.201 94 HD21 LEU 15 HD21 LEU 15 19.364 16.001 -1.378 95 HD22 LEU 15 HD22 LEU 15 18.262 15.453 -2.641 96 HD23 LEU 15 HD23 LEU 15 18.566 14.435 -1.233 97 H THR 16 H THR 16 18.283 17.821 3.177 98 HA THR 16 HA THR 16 20.536 19.385 2.943 99 HB THR 16 HB THR 16 19.336 18.767 5.635 100 HG1 THR 16 HG1 THR 16 18.256 20.329 3.513 101 HG21 THR 16 HG21 THR 16 19.644 21.380 5.660 102 HG22 THR 16 HG22 THR 16 20.814 21.038 4.385 103 HG23 THR 16 HG23 THR 16 21.008 20.310 5.979 104 H TYR 17 H TYR 17 20.115 16.437 4.860 105 HA TYR 17 HA TYR 17 22.811 16.547 5.882 106 HB2 TYR 17 HB2 TYR 17 20.972 15.597 7.227 107 HB3 TYR 17 HB3 TYR 17 20.764 14.323 6.032 108 HD1 TYR 17 HD2 TYR 17 23.546 15.808 8.049 109 HD2 TYR 17 HD1 TYR 17 21.690 12.283 6.554 110 HE1 TYR 17 HE2 TYR 17 25.213 14.437 9.229 111 HE2 TYR 17 HE1 TYR 17 23.351 10.903 7.730 112 HH TYR 17 HH TYR 17 25.412 12.136 10.110 113 H LEU 18 H LEU 18 21.044 14.765 3.408 114 HA LEU 18 HA LEU 18 23.112 12.944 2.766 115 HB2 LEU 18 HB2 LEU 18 20.596 13.858 1.475 116 HB3 LEU 18 HB3 LEU 18 21.774 13.003 0.481 117 HG LEU 18 HG LEU 18 20.471 11.932 2.984 118 HD11 LEU 18 HD11 LEU 18 18.978 12.156 1.003 119 HD12 LEU 18 HD12 LEU 18 19.220 10.495 1.542 120 HD13 LEU 18 HD13 LEU 18 20.073 11.093 0.119 121 HD21 LEU 18 HD21 LEU 18 22.874 11.190 1.676 122 HD22 LEU 18 HD22 LEU 18 21.675 9.935 1.361 123 HD23 LEU 18 HD23 LEU 18 22.063 10.389 3.022 124 H THR 19 H THR 19 22.812 16.262 2.245 125 HA THR 19 HA THR 19 24.499 16.271 -0.140 126 HB THR 19 HB THR 19 24.243 18.832 0.175 127 HG1 THR 19 HG1 THR 19 22.083 19.138 1.294 128 HG21 THR 19 HG21 THR 19 22.805 16.942 -1.223 129 HG22 THR 19 HG22 THR 19 22.687 18.690 -1.433 130 HG23 THR 19 HG23 THR 19 21.552 17.850 -0.377 131 H GLY 20 H GLY 20 24.836 16.330 3.214 132 HA2 GLY 20 HA2 GLY 20 27.125 16.134 4.051 133 HA3 GLY 20 HA3 GLY 20 27.568 17.418 2.936 134 H GLY 21 H GLY 21 24.640 18.303 4.073 135 HA2 GLY 21 HA2 GLY 21 25.756 20.331 5.765 136 HA3 GLY 21 HA3 GLY 21 24.051 20.081 5.422 137 HA PRO 22 HA PRO 22 24.840 18.967 9.858 138 HB2 PRO 22 HB2 PRO 22 22.730 20.369 10.833 139 HB3 PRO 22 HB3 PRO 22 24.322 21.090 10.569 140 HG2 PRO 22 HG2 PRO 22 21.878 21.212 8.845 141 HG3 PRO 22 HG3 PRO 22 23.015 22.505 9.267 142 HD2 PRO 22 HD2 PRO 22 23.104 21.204 6.894 143 HD3 PRO 22 HD3 PRO 22 24.559 21.832 7.694 144 H GLY 23 H GLY 23 23.906 17.251 10.836 145 HA2 GLY 23 HA2 GLY 23 21.297 16.540 11.078 146 HA3 GLY 23 HA3 GLY 23 21.726 15.929 9.488 147 HA PRO 24 HA PRO 24 20.712 14.162 9.368 148 HB2 PRO 24 HB2 PRO 24 19.277 12.147 10.488 149 HB3 PRO 24 HB3 PRO 24 20.647 11.865 9.408 150 HG2 PRO 24 HG2 PRO 24 20.546 11.789 12.399 151 HG3 PRO 24 HG3 PRO 24 21.354 10.678 11.278 152 HD2 PRO 24 HD2 PRO 24 22.684 12.622 12.614 153 HD3 PRO 24 HD3 PRO 24 23.161 12.080 10.992 154 H SER 25 H SER 25 18.904 15.358 9.471 155 HA SER 25 HA SER 25 18.185 16.724 11.827 156 HB2 SER 25 HB2 SER 25 16.013 17.130 10.306 157 HB3 SER 25 HB3 SER 25 17.543 17.955 10.009 158 HG SER 25 HG SER 25 16.280 16.571 8.282 159 HA PRO 26 HA PRO 26 15.231 14.186 13.844 160 HB2 PRO 26 HB2 PRO 26 13.248 15.925 14.490 161 HB3 PRO 26 HB3 PRO 26 14.827 15.930 15.285 162 HG2 PRO 26 HG2 PRO 26 13.809 17.685 13.083 163 HG3 PRO 26 HG3 PRO 26 14.752 18.125 14.520 164 HD2 PRO 26 HD2 PRO 26 15.876 17.826 12.075 165 HD3 PRO 26 HD3 PRO 26 16.742 17.444 13.577 166 H GLN 27 H GLN 27 13.637 16.396 11.545 167 HA GLN 27 HA GLN 27 11.324 14.828 11.187 168 HB2 GLN 27 HB2 GLN 27 12.599 17.097 9.742 169 HB3 GLN 27 HB3 GLN 27 11.368 16.175 8.889 170 HG2 GLN 27 HG2 GLN 27 9.971 17.646 9.832 171 HG3 GLN 27 HG3 GLN 27 10.114 16.589 11.235 172 HE21 GLN 27 HE21 GLN 27 10.198 17.796 12.985 173 HE22 GLN 27 HE22 GLN 27 11.157 19.216 13.198 174 H CYS 28 H CYS 28 14.457 14.834 9.606 175 HA CYS 28 HA CYS 28 13.783 13.195 7.412 176 HB2 CYS 28 HB2 CYS 28 15.816 14.382 7.246 177 HB3 CYS 28 HB3 CYS 28 16.379 13.803 8.811 178 H CYS 29 H CYS 29 15.251 12.405 10.557 179 HA CYS 29 HA CYS 29 15.565 9.680 10.227 180 HB2 CYS 29 HB2 CYS 29 14.935 11.326 12.672 181 HB3 CYS 29 HB3 CYS 29 15.206 9.589 12.763 182 H GLY 30 H GLY 30 12.736 11.372 11.591 183 HA2 GLY 30 HA2 GLY 30 11.121 9.186 12.094 184 HA3 GLY 30 HA3 GLY 30 10.519 10.776 11.652 185 H GLY 31 H GLY 31 11.408 11.011 9.054 186 HA2 GLY 31 HA2 GLY 31 9.454 9.500 7.662 187 HA3 GLY 31 HA3 GLY 31 10.679 10.525 6.930 188 H VAL 32 H VAL 32 12.977 9.219 7.880 189 HA VAL 32 HA VAL 32 13.396 7.292 5.928 190 HB VAL 32 HB VAL 32 14.847 7.579 8.563 191 HG11 VAL 32 HG11 VAL 32 16.734 6.593 7.062 192 HG12 VAL 32 HG12 VAL 32 15.549 5.515 7.802 193 HG13 VAL 32 HG13 VAL 32 15.390 5.970 6.105 194 HG21 VAL 32 HG21 VAL 32 15.657 9.475 7.741 195 HG22 VAL 32 HG22 VAL 32 16.354 8.573 6.395 196 HG23 VAL 32 HG23 VAL 32 14.735 9.257 6.253 197 H LYS 33 H LYS 33 13.027 6.700 9.429 198 HA LYS 33 HA LYS 33 12.887 3.916 9.271 199 HB2 LYS 33 HB2 LYS 33 11.949 5.929 11.284 200 HB3 LYS 33 HB3 LYS 33 11.529 4.233 11.485 201 HG2 LYS 33 HG2 LYS 33 13.833 3.606 11.597 202 HG3 LYS 33 HG3 LYS 33 14.348 5.239 11.170 203 HD2 LYS 33 HD2 LYS 33 13.974 6.047 13.259 204 HD3 LYS 33 HD3 LYS 33 12.596 4.980 13.541 205 HE2 LYS 33 HE2 LYS 33 14.874 3.334 13.320 206 HE3 LYS 33 HE3 LYS 33 15.320 4.678 14.370 207 HZ1 LYS 33 HZ1 LYS 33 13.597 4.168 15.855 208 HZ2 LYS 33 HZ2 LYS 33 14.300 2.676 15.480 209 HZ3 LYS 33 HZ3 LYS 33 12.833 3.123 14.765 210 H LYS 34 H LYS 34 10.551 6.319 8.497 211 HA LYS 34 HA LYS 34 8.235 4.656 8.761 212 HB2 LYS 34 HB2 LYS 34 8.342 7.225 8.772 213 HB3 LYS 34 HB3 LYS 34 8.432 7.105 7.020 214 HG2 LYS 34 HG2 LYS 34 6.233 6.920 6.899 215 HG3 LYS 34 HG3 LYS 34 6.275 5.486 7.928 216 HD2 LYS 34 HD2 LYS 34 6.119 6.827 9.909 217 HD3 LYS 34 HD3 LYS 34 6.305 8.313 8.976 218 HE2 LYS 34 HE2 LYS 34 4.162 7.160 7.753 219 HE3 LYS 34 HE3 LYS 34 3.934 6.643 9.423 220 HZ1 LYS 34 HZ1 LYS 34 3.463 8.718 10.088 221 HZ2 LYS 34 HZ2 LYS 34 3.108 8.992 8.458 222 HZ3 LYS 34 HZ3 LYS 34 4.617 9.436 9.080 223 H LEU 35 H LEU 35 10.373 5.589 6.109 224 HA LEU 35 HA LEU 35 8.878 4.391 4.035 225 HB2 LEU 35 HB2 LEU 35 10.745 6.082 3.820 226 HB3 LEU 35 HB3 LEU 35 11.865 4.747 4.083 227 HG LEU 35 HG LEU 35 9.869 4.685 1.843 228 HD11 LEU 35 HD11 LEU 35 10.888 6.558 1.094 229 HD12 LEU 35 HD12 LEU 35 12.114 5.403 0.575 230 HD13 LEU 35 HD13 LEU 35 12.330 6.302 2.076 231 HD21 LEU 35 HD21 LEU 35 12.076 3.419 0.980 232 HD22 LEU 35 HD22 LEU 35 10.771 2.615 1.853 233 HD23 LEU 35 HD23 LEU 35 12.222 3.131 2.714 234 H LEU 36 H LEU 36 11.427 3.188 6.154 235 HA LEU 36 HA LEU 36 11.638 0.656 4.823 236 HB2 LEU 36 HB2 LEU 36 12.738 1.843 7.330 237 HB3 LEU 36 HB3 LEU 36 12.828 0.100 7.086 238 HG LEU 36 HG LEU 36 13.862 1.876 4.933 239 HD11 LEU 36 HD11 LEU 36 14.665 2.462 7.431 240 HD12 LEU 36 HD12 LEU 36 15.707 2.589 6.014 241 HD13 LEU 36 HD13 LEU 36 15.790 1.160 7.044 242 HD21 LEU 36 HD21 LEU 36 14.660 -0.054 4.187 243 HD22 LEU 36 HD22 LEU 36 13.848 -0.873 5.521 244 HD23 LEU 36 HD23 LEU 36 15.516 -0.329 5.705 245 H ALA 37 H ALA 37 9.958 1.897 7.660 246 HA ALA 37 HA ALA 37 9.008 -0.662 8.521 247 HB1 ALA 37 HB1 ALA 37 8.182 2.140 9.258 248 HB2 ALA 37 HB2 ALA 37 7.534 0.684 10.016 249 HB3 ALA 37 HB3 ALA 37 9.250 1.063 10.159 250 H ALA 38 H ALA 38 7.973 1.686 6.220 251 HA ALA 38 HA ALA 38 5.227 0.818 6.134 252 HB1 ALA 38 HB1 ALA 38 6.828 2.619 4.324 253 HB2 ALA 38 HB2 ALA 38 5.107 2.286 4.124 254 HB3 ALA 38 HB3 ALA 38 5.684 3.101 5.578 255 H ALA 39 H ALA 39 8.158 -0.326 4.886 256 HA ALA 39 HA ALA 39 6.711 -2.003 2.941 257 HB1 ALA 39 HB1 ALA 39 9.596 -1.293 2.576 258 HB2 ALA 39 HB2 ALA 39 8.423 -1.850 1.382 259 HB3 ALA 39 HB3 ALA 39 8.322 -0.208 2.018 260 H ASN 40 H ASN 40 6.455 -3.733 4.337 261 HA ASN 40 HA ASN 40 8.778 -4.844 5.683 262 HB2 ASN 40 HB2 ASN 40 6.626 -4.783 6.867 263 HB3 ASN 40 HB3 ASN 40 5.904 -5.791 5.616 264 HD21 ASN 40 HD21 ASN 40 5.362 -7.341 7.176 265 HD22 ASN 40 HD22 ASN 40 6.548 -8.409 7.836 266 H THR 41 H THR 41 6.644 -5.583 2.991 267 HA THR 41 HA THR 41 7.921 -8.140 2.498 268 HB THR 41 HB THR 41 6.360 -8.437 0.708 269 HG1 THR 41 HG1 THR 41 5.912 -5.648 1.012 270 HG21 THR 41 HG21 THR 41 4.433 -7.066 2.408 271 HG22 THR 41 HG22 THR 41 5.588 -8.029 3.329 272 HG23 THR 41 HG23 THR 41 4.616 -8.786 2.068 273 H THR 42 H THR 42 8.162 -8.373 -0.147 274 HA THR 42 HA THR 42 10.506 -6.784 -0.709 275 HB THR 42 HB THR 42 9.372 -8.606 -2.773 276 HG1 THR 42 HG1 THR 42 9.074 -9.957 -1.077 277 HG21 THR 42 HG21 THR 42 11.436 -8.317 -3.561 278 HG22 THR 42 HG22 THR 42 12.068 -9.148 -2.139 279 HG23 THR 42 HG23 THR 42 11.884 -7.395 -2.127 280 HA PRO 43 HA PRO 43 7.449 -5.717 -4.513 281 HB2 PRO 43 HB2 PRO 43 5.048 -5.634 -2.743 282 HB3 PRO 43 HB3 PRO 43 5.176 -6.089 -4.446 283 HG2 PRO 43 HG2 PRO 43 4.917 -7.937 -2.522 284 HG3 PRO 43 HG3 PRO 43 5.914 -8.223 -3.960 285 HD2 PRO 43 HD2 PRO 43 6.725 -7.679 -1.172 286 HD3 PRO 43 HD3 PRO 43 7.556 -8.601 -2.441 287 H ASP 44 H ASP 44 6.467 -4.678 -1.240 288 HA ASP 44 HA ASP 44 6.084 -1.969 -1.927 289 HB2 ASP 44 HB2 ASP 44 6.311 -3.516 0.605 290 HB3 ASP 44 HB3 ASP 44 6.543 -1.773 0.700 291 H ARG 45 H ARG 45 8.844 -3.697 -0.532 292 HA ARG 45 HA ARG 45 10.480 -1.442 -0.118 293 HB2 ARG 45 HB2 ARG 45 10.950 -4.384 -0.343 294 HB3 ARG 45 HB3 ARG 45 12.336 -3.303 -0.402 295 HG2 ARG 45 HG2 ARG 45 11.593 -2.331 1.762 296 HG3 ARG 45 HG3 ARG 45 10.334 -3.565 1.828 297 HD2 ARG 45 HD2 ARG 45 13.205 -4.328 1.453 298 HD3 ARG 45 HD3 ARG 45 12.575 -3.974 3.061 299 HE ARG 45 HE ARG 45 10.850 -5.800 1.854 300 HH11 ARG 45 HH11 ARG 45 14.140 -5.648 2.982 301 HH12 ARG 45 HH12 ARG 45 14.227 -7.337 3.356 302 HH21 ARG 45 HH21 ARG 45 10.952 -8.026 2.343 303 HH22 ARG 45 HH22 ARG 45 12.414 -8.689 2.992 304 H GLN 46 H GLN 46 9.744 -3.314 -2.949 305 HA GLN 46 HA GLN 46 11.977 -2.482 -4.510 306 HB2 GLN 46 HB2 GLN 46 9.412 -3.897 -5.018 307 HB3 GLN 46 HB3 GLN 46 10.200 -3.142 -6.397 308 HG2 GLN 46 HG2 GLN 46 12.279 -4.394 -5.771 309 HG3 GLN 46 HG3 GLN 46 11.307 -5.272 -4.591 310 HE21 GLN 46 HE21 GLN 46 10.871 -7.219 -5.315 311 HE22 GLN 46 HE22 GLN 46 10.414 -7.631 -6.929 312 H ALA 47 H ALA 47 8.626 -1.366 -4.217 313 HA ALA 47 HA ALA 47 8.679 0.576 -6.228 314 HB1 ALA 47 HB1 ALA 47 7.105 1.080 -3.755 315 HB2 ALA 47 HB2 ALA 47 6.638 1.251 -5.447 316 HB3 ALA 47 HB3 ALA 47 6.733 -0.351 -4.716 317 H ALA 48 H ALA 48 9.235 0.959 -2.727 318 HA ALA 48 HA ALA 48 9.838 3.683 -2.754 319 HB1 ALA 48 HB1 ALA 48 10.977 1.610 -0.884 320 HB2 ALA 48 HB2 ALA 48 10.838 3.343 -0.586 321 HB3 ALA 48 HB3 ALA 48 9.386 2.352 -0.719 322 H CYS 49 H CYS 49 12.094 0.919 -2.788 323 HA CYS 49 HA CYS 49 14.484 2.248 -2.933 324 HB2 CYS 49 HB2 CYS 49 13.554 -0.345 -4.126 325 HB3 CYS 49 HB3 CYS 49 15.185 0.239 -4.441 326 H ASN 50 H ASN 50 12.229 1.583 -5.569 327 HA ASN 50 HA ASN 50 13.842 2.488 -7.683 328 HB2 ASN 50 HB2 ASN 50 10.825 2.504 -7.442 329 HB3 ASN 50 HB3 ASN 50 11.726 2.709 -8.942 330 HD21 ASN 50 HD21 ASN 50 9.788 0.678 -8.242 331 HD22 ASN 50 HD22 ASN 50 10.597 -0.842 -8.388 332 H CYS 51 H CYS 51 11.491 4.182 -5.642 333 HA CYS 51 HA CYS 51 11.777 6.684 -6.980 334 HB2 CYS 51 HB2 CYS 51 10.545 5.828 -4.373 335 HB3 CYS 51 HB3 CYS 51 10.677 7.532 -4.794 336 H LEU 52 H LEU 52 13.398 5.111 -4.323 337 HA LEU 52 HA LEU 52 14.703 7.446 -3.325 338 HB2 LEU 52 HB2 LEU 52 14.883 4.522 -2.869 339 HB3 LEU 52 HB3 LEU 52 16.280 5.498 -2.421 340 HG LEU 52 HG LEU 52 13.478 5.908 -1.379 341 HD11 LEU 52 HD11 LEU 52 15.851 4.768 0.078 342 HD12 LEU 52 HD12 LEU 52 14.594 3.779 -0.663 343 HD13 LEU 52 HD13 LEU 52 14.186 4.888 0.645 344 HD21 LEU 52 HD21 LEU 52 14.595 7.977 -1.291 345 HD22 LEU 52 HD22 LEU 52 16.117 7.228 -0.807 346 HD23 LEU 52 HD23 LEU 52 14.764 7.287 0.324 347 H LYS 53 H LYS 53 15.871 4.660 -5.220 348 HA LYS 53 HA LYS 53 18.459 5.487 -5.673 349 HB2 LYS 53 HB2 LYS 53 17.093 3.339 -6.425 350 HB3 LYS 53 HB3 LYS 53 16.978 4.229 -7.937 351 HG2 LYS 53 HG2 LYS 53 19.145 3.916 -8.440 352 HG3 LYS 53 HG3 LYS 53 19.670 4.091 -6.764 353 HD2 LYS 53 HD2 LYS 53 20.077 1.826 -7.570 354 HD3 LYS 53 HD3 LYS 53 18.870 1.825 -6.282 355 HE2 LYS 53 HE2 LYS 53 17.525 2.144 -8.766 356 HE3 LYS 53 HE3 LYS 53 18.652 0.797 -8.921 357 HZ1 LYS 53 HZ1 LYS 53 16.946 0.951 -6.538 358 HZ2 LYS 53 HZ2 LYS 53 17.578 -0.408 -7.321 359 HZ3 LYS 53 HZ3 LYS 53 16.265 0.420 -7.993 360 H SER 54 H SER 54 15.540 6.341 -7.489 361 HA SER 54 HA SER 54 16.947 7.939 -9.403 362 HB2 SER 54 HB2 SER 54 14.609 6.781 -9.599 363 HB3 SER 54 HB3 SER 54 14.016 8.259 -8.840 364 HG SER 54 HG SER 54 14.528 9.387 -10.587 365 H ALA 55 H ALA 55 15.573 8.470 -6.271 366 HA ALA 55 HA ALA 55 15.359 11.314 -6.466 367 HB1 ALA 55 HB1 ALA 55 15.406 10.987 -3.843 368 HB2 ALA 55 HB2 ALA 55 13.992 10.555 -4.806 369 HB3 ALA 55 HB3 ALA 55 15.124 9.304 -4.291 370 H ALA 56 H ALA 56 17.683 9.147 -4.850 371 HA ALA 56 HA ALA 56 19.424 11.200 -3.998 372 HB1 ALA 56 HB1 ALA 56 20.993 9.445 -3.494 373 HB2 ALA 56 HB2 ALA 56 19.372 8.917 -3.041 374 HB3 ALA 56 HB3 ALA 56 20.115 8.313 -4.522 375 H GLY 57 H GLY 57 18.843 9.893 -7.074 376 HA2 GLY 57 HA2 GLY 57 21.379 10.000 -8.266 377 HA3 GLY 57 HA3 GLY 57 19.851 10.192 -9.113 378 H SER 58 H SER 58 19.385 12.536 -7.138 379 HA SER 58 HA SER 58 20.613 14.523 -8.884 380 HB2 SER 58 HB2 SER 58 19.090 16.117 -7.706 381 HB3 SER 58 HB3 SER 58 18.238 14.786 -8.489 382 HG SER 58 HG SER 58 17.574 14.123 -6.608 383 H ILE 59 H ILE 59 21.551 12.952 -6.207 384 HA ILE 59 HA ILE 59 22.553 15.196 -4.678 385 HB ILE 59 HB ILE 59 23.174 12.262 -4.331 386 HG12 ILE 59 HG12 ILE 59 21.046 13.970 -3.023 387 HG13 ILE 59 HG13 ILE 59 20.765 12.659 -4.163 388 HG21 ILE 59 HG21 ILE 59 23.466 14.603 -2.453 389 HG22 ILE 59 HG22 ILE 59 23.782 12.916 -2.048 390 HG23 ILE 59 HG23 ILE 59 24.778 13.736 -3.250 391 HD11 ILE 59 HD11 ILE 59 21.960 12.391 -1.415 392 HD12 ILE 59 HD12 ILE 59 20.321 11.947 -1.893 393 HD13 ILE 59 HD13 ILE 59 21.701 11.073 -2.558 394 H THR 60 H THR 60 24.111 16.308 -5.724 395 HA THR 60 HA THR 60 26.053 15.178 -7.432 396 HB THR 60 HB THR 60 25.566 17.505 -7.674 397 HG1 THR 60 HG1 THR 60 28.129 17.562 -6.484 398 HG21 THR 60 HG21 THR 60 25.612 17.503 -4.825 399 HG22 THR 60 HG22 THR 60 25.089 18.786 -5.916 400 HG23 THR 60 HG23 THR 60 26.773 18.698 -5.401 401 H LYS 61 H LYS 61 27.936 14.209 -7.028 402 HA LYS 61 HA LYS 61 29.652 13.240 -5.889 403 HB2 LYS 61 HB2 LYS 61 29.465 15.954 -4.622 404 HB3 LYS 61 HB3 LYS 61 30.632 14.779 -4.030 405 HG2 LYS 61 HG2 LYS 61 31.040 14.714 -6.740 406 HG3 LYS 61 HG3 LYS 61 30.676 16.414 -6.438 407 HD2 LYS 61 HD2 LYS 61 32.392 16.405 -4.641 408 HD3 LYS 61 HD3 LYS 61 32.805 14.749 -5.095 409 HE2 LYS 61 HE2 LYS 61 34.369 15.918 -6.296 410 HE3 LYS 61 HE3 LYS 61 33.069 15.808 -7.482 411 HZ1 LYS 61 HZ1 LYS 61 33.183 18.123 -5.674 412 HZ2 LYS 61 HZ2 LYS 61 32.528 18.010 -7.229 413 HZ3 LYS 61 HZ3 LYS 61 34.206 18.073 -7.021 414 H LEU 62 H LEU 62 27.224 12.269 -5.115 415 HA LEU 62 HA LEU 62 26.499 12.371 -2.458 416 HB2 LEU 62 HB2 LEU 62 25.159 11.195 -4.050 417 HB3 LEU 62 HB3 LEU 62 26.461 10.055 -4.381 418 HG LEU 62 HG LEU 62 26.127 9.546 -1.783 419 HD11 LEU 62 HD11 LEU 62 23.698 10.975 -2.638 420 HD12 LEU 62 HD12 LEU 62 24.389 10.764 -1.030 421 HD13 LEU 62 HD13 LEU 62 23.439 9.469 -1.757 422 HD21 LEU 62 HD21 LEU 62 25.215 8.401 -4.273 423 HD22 LEU 62 HD22 LEU 62 24.113 8.021 -2.950 424 HD23 LEU 62 HD23 LEU 62 25.822 7.603 -2.822 425 H ASN 63 H ASN 63 27.166 11.432 -0.582 426 HA ASN 63 HA ASN 63 29.765 10.058 -0.677 427 HB2 ASN 63 HB2 ASN 63 29.279 12.301 0.650 428 HB3 ASN 63 HB3 ASN 63 28.665 11.181 1.863 429 HD21 ASN 63 HD21 ASN 63 31.201 12.951 1.284 430 HD22 ASN 63 HD22 ASN 63 32.480 11.936 1.851 431 H THR 64 H THR 64 29.383 7.922 -0.725 432 HA THR 64 HA THR 64 27.194 6.554 0.269 433 HB THR 64 HB THR 64 28.780 4.550 0.389 434 HG1 THR 64 HG1 THR 64 30.853 4.855 -0.230 435 HG21 THR 64 HG21 THR 64 29.284 5.352 -2.292 436 HG22 THR 64 HG22 THR 64 27.708 5.985 -1.817 437 HG23 THR 64 HG23 THR 64 28.039 4.258 -1.689 438 H ASN 65 H ASN 65 30.037 7.697 1.938 439 HA ASN 65 HA ASN 65 29.760 6.122 4.277 440 HB2 ASN 65 HB2 ASN 65 31.114 8.789 3.828 441 HB3 ASN 65 HB3 ASN 65 31.246 7.852 5.313 442 HD21 ASN 65 HD21 ASN 65 32.342 5.861 5.268 443 HD22 ASN 65 HD22 ASN 65 33.481 5.494 4.022 444 H ASN 66 H ASN 66 28.749 9.439 3.492 445 HA ASN 66 HA ASN 66 27.508 9.924 5.997 446 HB2 ASN 66 HB2 ASN 66 27.281 11.257 3.300 447 HB3 ASN 66 HB3 ASN 66 26.369 11.809 4.702 448 HD21 ASN 66 HD21 ASN 66 27.344 13.753 4.951 449 HD22 ASN 66 HD22 ASN 66 29.007 13.949 5.376 450 H ALA 67 H ALA 67 26.340 8.732 2.890 451 HA ALA 67 HA ALA 67 23.593 8.800 3.412 452 HB1 ALA 67 HB1 ALA 67 24.963 6.701 1.749 453 HB2 ALA 67 HB2 ALA 67 23.329 7.340 1.568 454 HB3 ALA 67 HB3 ALA 67 24.721 8.359 1.200 455 H ALA 68 H ALA 68 26.045 6.403 4.219 456 HA ALA 68 HA ALA 68 24.163 4.478 5.213 457 HB1 ALA 68 HB1 ALA 68 27.117 4.696 5.062 458 HB2 ALA 68 HB2 ALA 68 26.438 3.610 6.275 459 HB3 ALA 68 HB3 ALA 68 26.049 3.381 4.570 460 H ALA 69 H ALA 69 25.985 7.136 6.546 461 HA ALA 69 HA ALA 69 25.660 6.400 9.287 462 HB1 ALA 69 HB1 ALA 69 27.478 7.857 8.575 463 HB2 ALA 69 HB2 ALA 69 26.314 9.081 8.068 464 HB3 ALA 69 HB3 ALA 69 26.463 8.659 9.774 465 H LEU 70 H LEU 70 23.718 8.063 6.950 466 HA LEU 70 HA LEU 70 22.083 9.617 8.575 467 HB2 LEU 70 HB2 LEU 70 21.684 10.027 6.374 468 HB3 LEU 70 HB3 LEU 70 21.816 8.329 5.921 469 HG LEU 70 HG LEU 70 19.561 7.923 6.778 470 HD11 LEU 70 HD11 LEU 70 18.194 9.565 7.702 471 HD12 LEU 70 HD12 LEU 70 19.228 10.879 7.142 472 HD13 LEU 70 HD13 LEU 70 19.758 9.844 8.469 473 HD21 LEU 70 HD21 LEU 70 20.136 9.880 4.639 474 HD22 LEU 70 HD22 LEU 70 18.456 9.749 5.159 475 HD23 LEU 70 HD23 LEU 70 19.310 8.324 4.565 476 HA PRO 71 HA PRO 71 19.110 5.831 9.016 477 HB2 PRO 71 HB2 PRO 71 20.055 3.412 8.226 478 HB3 PRO 71 HB3 PRO 71 19.192 4.507 7.140 479 HG2 PRO 71 HG2 PRO 71 22.137 4.056 7.428 480 HG3 PRO 71 HG3 PRO 71 21.172 4.233 5.951 481 HD2 PRO 71 HD2 PRO 71 22.642 6.259 6.982 482 HD3 PRO 71 HD3 PRO 71 21.120 6.532 6.111 483 H GLY 72 H GLY 72 22.534 4.883 9.289 484 HA2 GLY 72 HA2 GLY 72 22.252 3.236 11.548 485 HA3 GLY 72 HA3 GLY 72 23.737 4.031 11.048 486 H LYS 73 H LYS 73 22.784 6.713 11.269 487 HA LYS 73 HA LYS 73 23.166 7.079 14.091 488 HB2 LYS 73 HB2 LYS 73 22.728 8.996 11.804 489 HB3 LYS 73 HB3 LYS 73 22.903 9.532 13.470 490 HG2 LYS 73 HG2 LYS 73 25.036 7.740 12.785 491 HG3 LYS 73 HG3 LYS 73 24.928 9.048 11.604 492 HD2 LYS 73 HD2 LYS 73 24.685 10.518 13.789 493 HD3 LYS 73 HD3 LYS 73 25.536 9.153 14.516 494 HE2 LYS 73 HE2 LYS 73 27.328 9.388 12.880 495 HE3 LYS 73 HE3 LYS 73 26.470 10.723 12.114 496 HZ1 LYS 73 HZ1 LYS 73 26.657 11.958 14.205 497 HZ2 LYS 73 HZ2 LYS 73 28.173 11.562 13.570 498 HZ3 LYS 73 HZ3 LYS 73 27.551 10.690 14.879 499 H CYS 74 H CYS 74 20.472 7.076 11.899 500 HA CYS 74 HA CYS 74 18.674 8.363 13.763 501 HB2 CYS 74 HB2 CYS 74 18.321 7.103 11.049 502 HB3 CYS 74 HB3 CYS 74 16.943 7.629 12.011 503 H GLY 75 H GLY 75 20.066 5.445 13.798 504 HA2 GLY 75 HA2 GLY 75 19.602 3.570 15.059 505 HA3 GLY 75 HA3 GLY 75 18.101 4.335 15.558 506 H VAL 76 H VAL 76 19.175 3.590 12.269 507 HA VAL 76 HA VAL 76 17.218 1.432 12.085 508 HB VAL 76 HB VAL 76 15.973 3.449 11.436 509 HG11 VAL 76 HG11 VAL 76 16.606 4.620 9.337 510 HG12 VAL 76 HG12 VAL 76 17.756 4.857 10.654 511 HG13 VAL 76 HG13 VAL 76 18.129 3.731 9.348 512 HG21 VAL 76 HG21 VAL 76 15.810 1.113 10.279 513 HG22 VAL 76 HG22 VAL 76 14.938 2.493 9.612 514 HG23 VAL 76 HG23 VAL 76 16.460 1.977 8.885 515 H ASN 77 H ASN 77 17.742 -0.127 10.614 516 HA ASN 77 HA ASN 77 20.211 0.310 9.067 517 HB2 ASN 77 HB2 ASN 77 20.529 -1.283 10.915 518 HB3 ASN 77 HB3 ASN 77 19.209 -2.269 10.292 519 HD21 ASN 77 HD21 ASN 77 22.039 -0.673 8.860 520 HD22 ASN 77 HD22 ASN 77 22.633 -2.080 8.051 521 H ILE 78 H ILE 78 20.341 -0.558 6.987 522 HA ILE 78 HA ILE 78 17.759 -1.396 5.835 523 HB ILE 78 HB ILE 78 18.842 -0.484 3.652 524 HG12 ILE 78 HG12 ILE 78 21.012 -0.056 5.096 525 HG13 ILE 78 HG13 ILE 78 20.556 1.051 3.806 526 HG21 ILE 78 HG21 ILE 78 17.578 1.076 5.864 527 HG22 ILE 78 HG22 ILE 78 18.053 1.885 4.372 528 HG23 ILE 78 HG23 ILE 78 16.893 0.558 4.324 529 HD11 ILE 78 HD11 ILE 78 19.567 1.579 6.558 530 HD12 ILE 78 HD12 ILE 78 21.249 1.935 6.165 531 HD13 ILE 78 HD13 ILE 78 19.949 2.706 5.257 532 HA PRO 79 HA PRO 79 19.597 -5.077 4.310 533 HB2 PRO 79 HB2 PRO 79 18.393 -5.354 1.892 534 HB3 PRO 79 HB3 PRO 79 17.547 -5.612 3.422 535 HG2 PRO 79 HG2 PRO 79 17.545 -3.208 1.639 536 HG3 PRO 79 HG3 PRO 79 16.187 -3.980 2.476 537 HD2 PRO 79 HD2 PRO 79 17.391 -1.742 3.410 538 HD3 PRO 79 HD3 PRO 79 16.685 -2.966 4.485 539 H TYR 80 H TYR 80 19.718 -2.243 2.241 540 HA TYR 80 HA TYR 80 22.314 -3.159 1.225 541 HB2 TYR 80 HB2 TYR 80 20.197 -3.359 -0.385 542 HB3 TYR 80 HB3 TYR 80 20.558 -1.657 -0.654 543 HD1 TYR 80 HD2 TYR 80 22.249 -4.987 -0.604 544 HD2 TYR 80 HD1 TYR 80 22.084 -1.088 -2.300 545 HE1 TYR 80 HE2 TYR 80 23.996 -5.620 -2.215 546 HE2 TYR 80 HE1 TYR 80 23.830 -1.711 -3.917 547 HH TYR 80 HH TYR 80 25.855 -4.011 -3.642 548 H LYS 81 H LYS 81 23.346 -1.225 -0.059 549 HA LYS 81 HA LYS 81 23.466 0.973 1.815 550 HB2 LYS 81 HB2 LYS 81 25.398 -0.211 0.442 551 HB3 LYS 81 HB3 LYS 81 24.967 0.993 -0.766 552 HG2 LYS 81 HG2 LYS 81 26.787 1.807 0.576 553 HG3 LYS 81 HG3 LYS 81 25.341 2.765 0.904 554 HD2 LYS 81 HD2 LYS 81 25.286 2.138 3.054 555 HD3 LYS 81 HD3 LYS 81 25.616 0.449 2.659 556 HE2 LYS 81 HE2 LYS 81 27.744 2.574 2.606 557 HE3 LYS 81 HE3 LYS 81 27.355 1.660 4.062 558 HZ1 LYS 81 HZ1 LYS 81 29.018 0.391 3.190 559 HZ2 LYS 81 HZ2 LYS 81 28.630 0.753 1.584 560 HZ3 LYS 81 HZ3 LYS 81 27.689 -0.353 2.452 561 H ILE 82 H ILE 82 23.406 3.230 1.088 562 HA ILE 82 HA ILE 82 21.203 3.627 -0.799 563 HB ILE 82 HB ILE 82 22.416 5.543 1.196 564 HG12 ILE 82 HG12 ILE 82 19.959 5.213 2.113 565 HG13 ILE 82 HG13 ILE 82 20.077 3.682 1.253 566 HG21 ILE 82 HG21 ILE 82 19.837 6.347 0.365 567 HG22 ILE 82 HG22 ILE 82 21.374 7.171 0.110 568 HG23 ILE 82 HG23 ILE 82 20.783 6.019 -1.087 569 HD11 ILE 82 HD11 ILE 82 22.437 3.817 2.673 570 HD12 ILE 82 HD12 ILE 82 21.235 4.488 3.776 571 HD13 ILE 82 HD13 ILE 82 21.006 2.877 3.096 572 H SER 83 H SER 83 22.002 3.748 -2.824 573 HA SER 83 HA SER 83 23.475 6.067 -3.585 574 HB2 SER 83 HB2 SER 83 25.292 4.530 -2.736 575 HB3 SER 83 HB3 SER 83 24.879 3.430 -4.051 576 HG SER 83 HG SER 83 26.153 5.903 -4.124 577 H THR 84 H THR 84 24.283 5.581 -6.048 578 HA THR 84 HA THR 84 21.823 4.993 -7.446 579 HB THR 84 HB THR 84 23.132 5.645 -9.487 580 HG1 THR 84 HG1 THR 84 25.231 5.526 -9.213 581 HG21 THR 84 HG21 THR 84 22.010 7.221 -7.562 582 HG22 THR 84 HG22 THR 84 22.619 7.805 -9.111 583 HG23 THR 84 HG23 THR 84 23.635 7.896 -7.673 584 H THR 85 H THR 85 24.037 3.019 -6.223 585 HA THR 85 HA THR 85 23.895 1.142 -8.492 586 HB THR 85 HB THR 85 25.989 0.143 -7.775 587 HG1 THR 85 HG1 THR 85 25.621 1.862 -5.597 588 HG21 THR 85 HG21 THR 85 27.515 1.947 -8.329 589 HG22 THR 85 HG22 THR 85 26.277 3.145 -7.949 590 HG23 THR 85 HG23 THR 85 26.067 2.066 -9.327 591 H THR 86 H THR 86 21.789 1.194 -6.800 592 HA THR 86 HA THR 86 22.210 -1.145 -5.054 593 HB THR 86 HB THR 86 20.232 1.122 -4.774 594 HG1 THR 86 HG1 THR 86 21.907 1.805 -3.650 595 HG21 THR 86 HG21 THR 86 19.776 -0.236 -2.561 596 HG22 THR 86 HG22 THR 86 20.291 -1.599 -3.556 597 HG23 THR 86 HG23 THR 86 18.914 -0.616 -4.052 598 H ASN 87 H ASN 87 20.821 -2.865 -5.201 599 HA ASN 87 HA ASN 87 18.683 -2.706 -7.213 600 HB2 ASN 87 HB2 ASN 87 20.959 -3.915 -7.853 601 HB3 ASN 87 HB3 ASN 87 20.230 -5.245 -6.958 602 HD21 ASN 87 HD21 ASN 87 20.831 -5.349 -9.678 603 HD22 ASN 87 HD22 ASN 87 19.353 -5.476 -10.563 604 H CYS 88 H CYS 88 17.039 -2.661 -5.724 605 HA CYS 88 HA CYS 88 16.934 -4.544 -3.545 606 HB2 CYS 88 HB2 CYS 88 15.005 -2.470 -4.583 607 HB3 CYS 88 HB3 CYS 88 14.608 -3.545 -3.247 608 H ASN 89 H ASN 89 15.224 -4.073 -6.615 609 HA ASN 89 HA ASN 89 13.335 -6.081 -6.414 610 HB2 ASN 89 HB2 ASN 89 13.541 -6.197 -8.957 611 HB3 ASN 89 HB3 ASN 89 13.178 -4.617 -8.268 612 HD21 ASN 89 HD21 ASN 89 14.837 -3.051 -8.168 613 HD22 ASN 89 HD22 ASN 89 16.201 -3.135 -9.225 614 H THR 90 H THR 90 16.754 -6.309 -7.097 615 HA THR 90 HA THR 90 16.508 -9.242 -7.063 616 HB THR 90 HB THR 90 18.672 -9.089 -8.568 617 HG1 THR 90 HG1 THR 90 17.271 -6.675 -9.154 618 HG21 THR 90 HG21 THR 90 16.738 -10.279 -9.298 619 HG22 THR 90 HG22 THR 90 17.179 -9.169 -10.596 620 HG23 THR 90 HG23 THR 90 15.830 -8.786 -9.528 621 H VAL 91 H VAL 91 16.933 -8.527 -4.717 622 HA VAL 91 HA VAL 91 19.579 -7.689 -4.036 623 HB VAL 91 HB VAL 91 17.466 -8.973 -2.299 624 HG11 VAL 91 HG11 VAL 91 19.969 -7.465 -1.553 625 HG12 VAL 91 HG12 VAL 91 18.730 -8.019 -0.425 626 HG13 VAL 91 HG13 VAL 91 19.687 -9.191 -1.332 627 HG21 VAL 91 HG21 VAL 91 17.466 -6.470 -3.527 628 HG22 VAL 91 HG22 VAL 91 16.435 -7.003 -2.199 629 HG23 VAL 91 HG23 VAL 91 17.948 -6.163 -1.858 630 H LYS 92 H LYS 92 21.353 -8.869 -3.657 631 HA LYS 92 HA LYS 92 21.157 -11.771 -3.992 632 HB2 LYS 92 HB2 LYS 92 23.343 -9.762 -4.358 633 HB3 LYS 92 HB3 LYS 92 23.769 -11.440 -4.045 634 HG2 LYS 92 HG2 LYS 92 21.757 -11.018 -6.149 635 HG3 LYS 92 HG3 LYS 92 23.376 -10.409 -6.501 636 HD2 LYS 92 HD2 LYS 92 23.301 -13.098 -5.322 637 HD3 LYS 92 HD3 LYS 92 22.559 -12.970 -6.919 638 HE2 LYS 92 HE2 LYS 92 25.287 -11.858 -6.317 639 HE3 LYS 92 HE3 LYS 92 25.044 -13.527 -6.831 640 HZ1 LYS 92 HZ1 LYS 92 25.224 -12.674 -8.874 641 HZ2 LYS 92 HZ2 LYS 92 24.913 -11.091 -8.369 642 HZ3 LYS 92 HZ3 LYS 92 23.629 -12.153 -8.661 643 H PHE 93 H PHE 93 20.910 -12.861 -2.154 644 HA PHE 93 HA PHE 93 21.121 -13.532 0.012 645 HB2 PHE 93 HB2 PHE 93 23.864 -12.743 -0.829 646 HB3 PHE 93 HB3 PHE 93 23.601 -13.051 0.884 647 HD1 PHE 93 HD1 PHE 93 23.370 -14.542 -2.487 648 HD2 PHE 93 HD2 PHE 93 23.394 -15.245 1.711 649 HE1 PHE 93 HE1 PHE 93 23.580 -16.959 -2.896 650 HE2 PHE 93 HE2 PHE 93 23.605 -17.663 1.308 651 HZ PHE 93 HZ PHE 93 23.699 -18.523 -0.998 Start of MODEL 9 1 H1 ALA 1 H ALA 1 2.150 -0.360 2.400 2 HA ALA 1 HA ALA 1 3.329 -0.913 0.533 3 HB1 ALA 1 HB1 ALA 1 0.726 0.015 -0.542 4 HB2 ALA 1 HB2 ALA 1 2.056 -0.191 -1.683 5 HB3 ALA 1 HB3 ALA 1 1.524 -1.551 -0.694 6 H ILE 2 H ILE 2 5.096 -0.020 -0.329 7 HA ILE 2 HA ILE 2 5.412 2.842 -0.253 8 HB ILE 2 HB ILE 2 7.334 0.717 -1.210 9 HG12 ILE 2 HG12 ILE 2 8.400 1.501 1.090 10 HG13 ILE 2 HG13 ILE 2 6.727 1.901 1.464 11 HG21 ILE 2 HG21 ILE 2 8.347 2.520 -2.101 12 HG22 ILE 2 HG22 ILE 2 7.467 3.653 -1.076 13 HG23 ILE 2 HG23 ILE 2 8.872 2.798 -0.440 14 HD11 ILE 2 HD11 ILE 2 6.046 -0.316 1.345 15 HD12 ILE 2 HD12 ILE 2 7.479 -0.806 0.439 16 HD13 ILE 2 HD13 ILE 2 7.614 -0.396 2.149 17 H SER 3 H SER 3 5.842 4.208 -1.988 18 HA SER 3 HA SER 3 5.556 3.134 -4.691 19 HB2 SER 3 HB2 SER 3 3.276 3.762 -3.987 20 HB3 SER 3 HB3 SER 3 3.842 5.393 -3.626 21 HG SER 3 HG SER 3 3.029 5.499 -5.657 22 H CYS 4 H CYS 4 5.513 6.380 -3.223 23 HA CYS 4 HA CYS 4 8.169 7.039 -3.864 24 HB2 CYS 4 HB2 CYS 4 6.707 6.922 -6.152 25 HB3 CYS 4 HB3 CYS 4 6.471 8.608 -5.702 26 H GLY 5 H GLY 5 4.861 8.185 -3.447 27 HA2 GLY 5 HA2 GLY 5 5.388 10.826 -2.706 28 HA3 GLY 5 HA3 GLY 5 3.995 9.892 -2.182 29 H ALA 6 H ALA 6 5.515 7.869 -0.801 30 HA ALA 6 HA ALA 6 5.924 9.296 1.677 31 HB1 ALA 6 HB1 ALA 6 6.474 6.855 2.440 32 HB2 ALA 6 HB2 ALA 6 4.812 7.326 2.082 33 HB3 ALA 6 HB3 ALA 6 5.750 6.425 0.891 34 H VAL 7 H VAL 7 7.872 7.897 -0.828 35 HA VAL 7 HA VAL 7 10.284 7.737 0.720 36 HB VAL 7 HB VAL 7 10.107 7.814 -2.288 37 HG11 VAL 7 HG11 VAL 7 12.279 7.346 -2.246 38 HG12 VAL 7 HG12 VAL 7 12.254 7.618 -0.503 39 HG13 VAL 7 HG13 VAL 7 12.017 5.993 -1.146 40 HG21 VAL 7 HG21 VAL 7 9.769 5.425 -0.476 41 HG22 VAL 7 HG22 VAL 7 8.508 6.163 -1.463 42 HG23 VAL 7 HG23 VAL 7 9.885 5.378 -2.236 43 H THR 8 H THR 8 9.027 9.953 -1.756 44 HA THR 8 HA THR 8 11.272 11.686 -1.726 45 HB THR 8 HB THR 8 8.553 12.684 -2.477 46 HG1 THR 8 HG1 THR 8 10.074 10.717 -3.863 47 HG21 THR 8 HG21 THR 8 11.065 13.722 -2.713 48 HG22 THR 8 HG22 THR 8 9.692 14.174 -3.724 49 HG23 THR 8 HG23 THR 8 10.844 12.966 -4.290 50 H SER 9 H SER 9 8.443 11.403 0.255 51 HA SER 9 HA SER 9 8.337 14.012 1.300 52 HB2 SER 9 HB2 SER 9 6.434 12.816 1.824 53 HB3 SER 9 HB3 SER 9 7.331 11.338 2.173 54 HG SER 9 HG SER 9 7.304 13.669 3.795 55 H ASP 10 H ASP 10 9.895 11.076 2.575 56 HA ASP 10 HA ASP 10 11.134 12.478 4.745 57 HB2 ASP 10 HB2 ASP 10 12.061 9.801 3.752 58 HB3 ASP 10 HB3 ASP 10 12.003 10.412 5.403 59 H LEU 11 H LEU 11 11.906 11.920 1.451 60 HA LEU 11 HA LEU 11 14.737 12.104 1.641 61 HB2 LEU 11 HB2 LEU 11 12.746 12.375 -0.573 62 HB3 LEU 11 HB3 LEU 11 14.432 12.813 -0.844 63 HG LEU 11 HG LEU 11 13.673 10.102 0.198 64 HD11 LEU 11 HD11 LEU 11 13.548 11.133 -2.603 65 HD12 LEU 11 HD12 LEU 11 12.438 10.060 -1.752 66 HD13 LEU 11 HD13 LEU 11 14.005 9.459 -2.292 67 HD21 LEU 11 HD21 LEU 11 16.022 11.008 -1.456 68 HD22 LEU 11 HD22 LEU 11 15.810 9.457 -0.644 69 HD23 LEU 11 HD23 LEU 11 16.032 10.926 0.306 70 H SER 12 H SER 12 12.146 14.445 1.272 71 HA SER 12 HA SER 12 13.574 16.687 0.496 72 HB2 SER 12 HB2 SER 12 11.327 17.140 0.519 73 HB3 SER 12 HB3 SER 12 11.050 16.228 2.003 74 HG SER 12 HG SER 12 10.933 18.194 2.794 75 HA PRO 13 HA PRO 13 14.382 17.714 5.150 76 HB2 PRO 13 HB2 PRO 13 13.871 15.756 6.960 77 HB3 PRO 13 HB3 PRO 13 12.661 16.945 6.464 78 HG2 PRO 13 HG2 PRO 13 13.037 14.125 5.534 79 HG3 PRO 13 HG3 PRO 13 11.536 14.979 5.938 80 HD2 PRO 13 HD2 PRO 13 12.363 14.615 3.385 81 HD3 PRO 13 HD3 PRO 13 11.446 16.046 3.897 82 H CYS 14 H CYS 14 14.987 14.525 3.876 83 HA CYS 14 HA CYS 14 17.397 14.132 5.427 84 HB2 CYS 14 HB2 CYS 14 15.986 12.567 3.284 85 HB3 CYS 14 HB3 CYS 14 17.626 12.146 3.769 86 H LEU 15 H LEU 15 16.539 15.716 2.553 87 HA LEU 15 HA LEU 15 18.881 15.357 1.023 88 HB2 LEU 15 HB2 LEU 15 16.617 17.266 1.054 89 HB3 LEU 15 HB3 LEU 15 18.081 17.774 0.214 90 HG LEU 15 HG LEU 15 16.427 15.326 -0.400 91 HD11 LEU 15 HD11 LEU 15 16.374 18.081 -1.330 92 HD12 LEU 15 HD12 LEU 15 15.190 16.791 -1.536 93 HD13 LEU 15 HD13 LEU 15 16.560 16.914 -2.639 94 HD21 LEU 15 HD21 LEU 15 18.481 14.602 -1.064 95 HD22 LEU 15 HD22 LEU 15 19.110 16.234 -1.290 96 HD23 LEU 15 HD23 LEU 15 18.035 15.528 -2.497 97 H THR 16 H THR 16 17.928 17.898 3.317 98 HA THR 16 HA THR 16 20.087 19.590 3.106 99 HB THR 16 HB THR 16 18.785 18.855 5.732 100 HG1 THR 16 HG1 THR 16 17.047 19.853 5.047 101 HG21 THR 16 HG21 THR 16 20.588 20.280 6.190 102 HG22 THR 16 HG22 THR 16 19.205 21.369 6.087 103 HG23 THR 16 HG23 THR 16 20.323 21.232 4.730 104 H TYR 17 H TYR 17 19.849 16.564 4.907 105 HA TYR 17 HA TYR 17 22.521 16.846 5.987 106 HB2 TYR 17 HB2 TYR 17 20.611 15.751 7.225 107 HB3 TYR 17 HB3 TYR 17 20.735 14.412 6.090 108 HD1 TYR 17 HD2 TYR 17 23.462 16.378 7.689 109 HD2 TYR 17 HD1 TYR 17 21.480 12.625 7.392 110 HE1 TYR 17 HE2 TYR 17 25.203 15.354 9.093 111 HE2 TYR 17 HE1 TYR 17 23.215 11.591 8.796 112 HH TYR 17 HH TYR 17 26.124 12.850 9.349 113 H LEU 18 H LEU 18 20.896 15.110 3.410 114 HA LEU 18 HA LEU 18 23.080 13.388 2.783 115 HB2 LEU 18 HB2 LEU 18 20.501 14.131 1.503 116 HB3 LEU 18 HB3 LEU 18 21.735 13.364 0.505 117 HG LEU 18 HG LEU 18 20.519 12.193 3.006 118 HD11 LEU 18 HD11 LEU 18 20.185 11.075 0.262 119 HD12 LEU 18 HD12 LEU 18 19.156 12.406 0.791 120 HD13 LEU 18 HD13 LEU 18 19.164 10.887 1.687 121 HD21 LEU 18 HD21 LEU 18 22.940 11.603 1.613 122 HD22 LEU 18 HD22 LEU 18 21.814 10.261 1.410 123 HD23 LEU 18 HD23 LEU 18 22.252 10.809 3.029 124 H THR 19 H THR 19 22.631 16.675 2.382 125 HA THR 19 HA THR 19 24.225 16.854 -0.059 126 HB THR 19 HB THR 19 23.884 19.400 0.429 127 HG1 THR 19 HG1 THR 19 21.558 18.507 1.737 128 HG21 THR 19 HG21 THR 19 21.243 18.452 -0.235 129 HG22 THR 19 HG22 THR 19 22.474 17.482 -1.044 130 HG23 THR 19 HG23 THR 19 22.443 19.231 -1.265 131 H GLY 20 H GLY 20 24.648 16.849 3.302 132 HA2 GLY 20 HA2 GLY 20 26.962 16.695 4.078 133 HA3 GLY 20 HA3 GLY 20 27.348 18.000 2.966 134 H GLY 21 H GLY 21 24.376 18.566 4.398 135 HA2 GLY 21 HA2 GLY 21 25.519 20.675 6.034 136 HA3 GLY 21 HA3 GLY 21 23.812 20.418 5.702 137 HA PRO 22 HA PRO 22 24.640 19.196 10.097 138 HB2 PRO 22 HB2 PRO 22 22.493 20.512 11.113 139 HB3 PRO 22 HB3 PRO 22 24.063 21.284 10.864 140 HG2 PRO 22 HG2 PRO 22 21.611 21.380 9.149 141 HG3 PRO 22 HG3 PRO 22 22.712 22.694 9.601 142 HD2 PRO 22 HD2 PRO 22 22.831 21.457 7.196 143 HD3 PRO 22 HD3 PRO 22 24.270 22.106 8.008 144 H GLY 23 H GLY 23 23.753 17.435 11.041 145 HA2 GLY 23 HA2 GLY 23 21.167 16.642 11.266 146 HA3 GLY 23 HA3 GLY 23 21.613 16.081 9.661 147 HA PRO 24 HA PRO 24 20.669 14.288 9.479 148 HB2 PRO 24 HB2 PRO 24 19.294 12.196 10.529 149 HB3 PRO 24 HB3 PRO 24 20.682 11.991 9.454 150 HG2 PRO 24 HG2 PRO 24 20.558 11.827 12.440 151 HG3 PRO 24 HG3 PRO 24 21.413 10.775 11.296 152 HD2 PRO 24 HD2 PRO 24 22.665 12.724 12.698 153 HD3 PRO 24 HD3 PRO 24 23.174 12.244 11.066 154 H SER 25 H SER 25 18.794 15.385 9.593 155 HA SER 25 HA SER 25 18.021 16.688 11.967 156 HB2 SER 25 HB2 SER 25 15.828 17.014 10.455 157 HB3 SER 25 HB3 SER 25 17.319 17.912 10.166 158 HG SER 25 HG SER 25 16.114 16.485 8.427 159 HA PRO 26 HA PRO 26 15.189 13.997 13.959 160 HB2 PRO 26 HB2 PRO 26 13.131 15.637 14.629 161 HB3 PRO 26 HB3 PRO 26 14.710 15.704 15.421 162 HG2 PRO 26 HG2 PRO 26 13.609 17.436 13.242 163 HG3 PRO 26 HG3 PRO 26 14.534 17.901 14.682 164 HD2 PRO 26 HD2 PRO 26 15.665 17.683 12.232 165 HD3 PRO 26 HD3 PRO 26 16.550 17.323 13.728 166 H GLN 27 H GLN 27 13.534 16.142 11.646 167 HA GLN 27 HA GLN 27 11.276 14.484 11.287 168 HB2 GLN 27 HB2 GLN 27 12.482 16.705 9.653 169 HB3 GLN 27 HB3 GLN 27 11.052 15.836 9.112 170 HG2 GLN 27 HG2 GLN 27 9.710 16.844 10.601 171 HG3 GLN 27 HG3 GLN 27 10.937 16.848 11.866 172 HE21 GLN 27 HE21 GLN 27 12.763 18.399 11.491 173 HE22 GLN 27 HE22 GLN 27 12.354 19.955 10.861 174 H CYS 28 H CYS 28 14.413 14.631 9.722 175 HA CYS 28 HA CYS 28 13.815 12.989 7.508 176 HB2 CYS 28 HB2 CYS 28 15.801 14.256 7.363 177 HB3 CYS 28 HB3 CYS 28 16.377 13.689 8.927 178 H CYS 29 H CYS 29 15.381 12.212 10.614 179 HA CYS 29 HA CYS 29 15.753 9.502 10.251 180 HB2 CYS 29 HB2 CYS 29 15.190 11.149 12.703 181 HB3 CYS 29 HB3 CYS 29 15.396 9.404 12.816 182 H GLY 30 H GLY 30 12.892 11.131 11.612 183 HA2 GLY 30 HA2 GLY 30 11.354 8.890 12.171 184 HA3 GLY 30 HA3 GLY 30 10.700 10.462 11.738 185 H GLY 31 H GLY 31 11.603 10.688 9.117 186 HA2 GLY 31 HA2 GLY 31 9.646 9.136 7.758 187 HA3 GLY 31 HA3 GLY 31 10.835 10.190 7.007 188 H VAL 32 H VAL 32 13.176 8.940 7.942 189 HA VAL 32 HA VAL 32 13.626 7.025 5.985 190 HB VAL 32 HB VAL 32 15.096 7.285 8.612 191 HG11 VAL 32 HG11 VAL 32 17.000 6.454 7.056 192 HG12 VAL 32 HG12 VAL 32 15.852 5.289 7.717 193 HG13 VAL 32 HG13 VAL 32 15.680 5.851 6.054 194 HG21 VAL 32 HG21 VAL 32 14.913 9.045 6.341 195 HG22 VAL 32 HG22 VAL 32 15.744 9.283 7.878 196 HG23 VAL 32 HG23 VAL 32 16.566 8.466 6.549 197 H LYS 33 H LYS 33 13.218 6.449 9.484 198 HA LYS 33 HA LYS 33 13.196 3.663 9.370 199 HB2 LYS 33 HB2 LYS 33 12.061 5.654 11.309 200 HB3 LYS 33 HB3 LYS 33 11.766 3.934 11.529 201 HG2 LYS 33 HG2 LYS 33 14.129 3.500 11.688 202 HG3 LYS 33 HG3 LYS 33 14.496 5.187 11.321 203 HD2 LYS 33 HD2 LYS 33 13.925 5.907 13.405 204 HD3 LYS 33 HD3 LYS 33 12.696 4.657 13.618 205 HE2 LYS 33 HE2 LYS 33 14.896 3.122 13.562 206 HE3 LYS 33 HE3 LYS 33 15.593 4.605 14.212 207 HZ1 LYS 33 HZ1 LYS 33 13.168 4.069 15.530 208 HZ2 LYS 33 HZ2 LYS 33 14.729 4.129 16.178 209 HZ3 LYS 33 HZ3 LYS 33 14.122 2.672 15.570 210 H LYS 34 H LYS 34 10.747 5.968 8.561 211 HA LYS 34 HA LYS 34 8.504 4.228 8.749 212 HB2 LYS 34 HB2 LYS 34 8.628 6.840 8.582 213 HB3 LYS 34 HB3 LYS 34 8.597 6.542 6.849 214 HG2 LYS 34 HG2 LYS 34 6.371 6.814 7.273 215 HG3 LYS 34 HG3 LYS 34 6.520 5.064 7.452 216 HD2 LYS 34 HD2 LYS 34 6.667 5.294 9.862 217 HD3 LYS 34 HD3 LYS 34 6.626 7.053 9.720 218 HE2 LYS 34 HE2 LYS 34 4.395 5.921 8.326 219 HE3 LYS 34 HE3 LYS 34 4.453 5.276 9.966 220 HZ1 LYS 34 HZ1 LYS 34 4.394 8.139 9.185 221 HZ2 LYS 34 HZ2 LYS 34 4.613 7.591 10.769 222 HZ3 LYS 34 HZ3 LYS 34 3.164 7.273 9.958 223 H LEU 35 H LEU 35 10.688 5.141 6.123 224 HA LEU 35 HA LEU 35 9.316 3.785 4.062 225 HB2 LEU 35 HB2 LEU 35 11.101 5.545 3.811 226 HB3 LEU 35 HB3 LEU 35 12.280 4.294 4.198 227 HG LEU 35 HG LEU 35 10.390 3.971 1.892 228 HD11 LEU 35 HD11 LEU 35 12.666 4.778 0.695 229 HD12 LEU 35 HD12 LEU 35 12.674 5.811 2.124 230 HD13 LEU 35 HD13 LEU 35 11.295 5.839 1.025 231 HD21 LEU 35 HD21 LEU 35 12.912 2.719 2.858 232 HD22 LEU 35 HD22 LEU 35 12.600 2.768 1.123 233 HD23 LEU 35 HD23 LEU 35 11.456 1.969 2.204 234 H LEU 36 H LEU 36 11.877 2.795 6.282 235 HA LEU 36 HA LEU 36 12.216 0.215 5.079 236 HB2 LEU 36 HB2 LEU 36 13.213 1.558 7.553 237 HB3 LEU 36 HB3 LEU 36 13.389 -0.187 7.380 238 HG LEU 36 HG LEU 36 14.364 1.463 5.127 239 HD11 LEU 36 HD11 LEU 36 15.018 2.395 7.580 240 HD12 LEU 36 HD12 LEU 36 16.056 2.516 6.160 241 HD13 LEU 36 HD13 LEU 36 16.300 1.211 7.321 242 HD21 LEU 36 HD21 LEU 36 16.110 -0.525 6.336 243 HD22 LEU 36 HD22 LEU 36 15.528 -0.387 4.677 244 HD23 LEU 36 HD23 LEU 36 14.530 -1.175 5.900 245 H ALA 37 H ALA 37 10.354 1.537 7.743 246 HA ALA 37 HA ALA 37 9.540 -1.001 8.787 247 HB1 ALA 37 HB1 ALA 37 7.817 0.435 9.997 248 HB2 ALA 37 HB2 ALA 37 9.518 0.763 10.334 249 HB3 ALA 37 HB3 ALA 37 8.614 1.819 9.248 250 H ALA 38 H ALA 38 8.461 1.059 6.239 251 HA ALA 38 HA ALA 38 5.814 -0.109 6.098 252 HB1 ALA 38 HB1 ALA 38 6.158 2.251 5.527 253 HB2 ALA 38 HB2 ALA 38 7.198 1.769 4.186 254 HB3 ALA 38 HB3 ALA 38 5.488 1.340 4.174 255 H ALA 39 H ALA 39 8.842 -1.108 5.215 256 HA ALA 39 HA ALA 39 7.755 -2.804 3.062 257 HB1 ALA 39 HB1 ALA 39 10.253 -1.214 3.163 258 HB2 ALA 39 HB2 ALA 39 10.335 -2.804 2.402 259 HB3 ALA 39 HB3 ALA 39 9.202 -1.595 1.798 260 H ASN 40 H ASN 40 7.902 -4.925 3.405 261 HA ASN 40 HA ASN 40 9.848 -5.893 5.393 262 HB2 ASN 40 HB2 ASN 40 7.563 -5.901 6.330 263 HB3 ASN 40 HB3 ASN 40 7.026 -6.913 4.992 264 HD21 ASN 40 HD21 ASN 40 6.592 -8.821 5.849 265 HD22 ASN 40 HD22 ASN 40 7.652 -9.735 6.862 266 H THR 41 H THR 41 7.948 -6.616 2.512 267 HA THR 41 HA THR 41 9.465 -9.055 2.025 268 HB THR 41 HB THR 41 7.968 -9.467 0.184 269 HG1 THR 41 HG1 THR 41 6.249 -7.797 -0.141 270 HG21 THR 41 HG21 THR 41 6.472 -8.391 2.578 271 HG22 THR 41 HG22 THR 41 7.091 -10.030 2.378 272 HG23 THR 41 HG23 THR 41 5.787 -9.448 1.344 273 H THR 42 H THR 42 9.709 -9.194 -0.645 274 HA THR 42 HA THR 42 11.905 -7.399 -1.153 275 HB THR 42 HB THR 42 10.888 -9.194 -3.299 276 HG1 THR 42 HG1 THR 42 12.081 -10.099 -0.873 277 HG21 THR 42 HG21 THR 42 13.656 -8.734 -2.185 278 HG22 THR 42 HG22 THR 42 12.953 -7.828 -3.525 279 HG23 THR 42 HG23 THR 42 13.241 -9.560 -3.686 280 HA PRO 43 HA PRO 43 8.741 -6.373 -4.879 281 HB2 PRO 43 HB2 PRO 43 6.358 -6.563 -3.096 282 HB3 PRO 43 HB3 PRO 43 6.504 -6.920 -4.821 283 HG2 PRO 43 HG2 PRO 43 6.401 -8.877 -2.993 284 HG3 PRO 43 HG3 PRO 43 7.405 -9.013 -4.448 285 HD2 PRO 43 HD2 PRO 43 8.197 -8.552 -1.640 286 HD3 PRO 43 HD3 PRO 43 9.084 -9.343 -2.959 287 H ASP 44 H ASP 44 7.834 -5.583 -1.522 288 HA ASP 44 HA ASP 44 7.157 -2.894 -2.041 289 HB2 ASP 44 HB2 ASP 44 7.688 -4.530 0.386 290 HB3 ASP 44 HB3 ASP 44 7.768 -2.779 0.561 291 H ARG 45 H ARG 45 10.133 -4.381 -0.796 292 HA ARG 45 HA ARG 45 11.566 -1.984 -0.446 293 HB2 ARG 45 HB2 ARG 45 12.335 -4.864 -0.741 294 HB3 ARG 45 HB3 ARG 45 13.583 -3.626 -0.759 295 HG2 ARG 45 HG2 ARG 45 12.848 -2.849 1.437 296 HG3 ARG 45 HG3 ARG 45 11.595 -4.091 1.454 297 HD2 ARG 45 HD2 ARG 45 13.450 -5.784 1.178 298 HD3 ARG 45 HD3 ARG 45 14.580 -4.468 1.495 299 HE ARG 45 HE ARG 45 12.685 -4.515 3.551 300 HH11 ARG 45 HH11 ARG 45 15.288 -6.459 2.300 301 HH12 ARG 45 HH12 ARG 45 15.674 -7.164 3.835 302 HH21 ARG 45 HH21 ARG 45 13.183 -5.436 5.577 303 HH22 ARG 45 HH22 ARG 45 14.475 -6.582 5.699 304 H GLN 46 H GLN 46 10.873 -3.898 -3.251 305 HA GLN 46 HA GLN 46 12.966 -2.921 -4.906 306 HB2 GLN 46 HB2 GLN 46 10.451 -4.452 -5.311 307 HB3 GLN 46 HB3 GLN 46 11.132 -3.641 -6.715 308 HG2 GLN 46 HG2 GLN 46 13.310 -4.795 -6.160 309 HG3 GLN 46 HG3 GLN 46 12.390 -5.769 -5.015 310 HE21 GLN 46 HE21 GLN 46 12.540 -7.709 -6.002 311 HE22 GLN 46 HE22 GLN 46 11.887 -8.059 -7.562 312 H ALA 47 H ALA 47 9.562 -2.001 -4.497 313 HA ALA 47 HA ALA 47 9.475 -0.005 -6.456 314 HB1 ALA 47 HB1 ALA 47 7.665 0.929 -4.743 315 HB2 ALA 47 HB2 ALA 47 7.372 -0.489 -5.750 316 HB3 ALA 47 HB3 ALA 47 7.862 -0.688 -4.068 317 H ALA 48 H ALA 48 10.085 0.283 -2.957 318 HA ALA 48 HA ALA 48 10.504 3.048 -2.904 319 HB1 ALA 48 HB1 ALA 48 10.227 1.362 -0.964 320 HB2 ALA 48 HB2 ALA 48 11.980 1.199 -1.071 321 HB3 ALA 48 HB3 ALA 48 11.260 2.772 -0.729 322 H CYS 49 H CYS 49 12.912 0.420 -3.053 323 HA CYS 49 HA CYS 49 15.222 1.889 -3.166 324 HB2 CYS 49 HB2 CYS 49 14.394 -0.746 -4.272 325 HB3 CYS 49 HB3 CYS 49 15.900 -0.060 -4.872 326 H ASN 50 H ASN 50 12.972 1.203 -5.798 327 HA ASN 50 HA ASN 50 14.497 2.230 -7.911 328 HB2 ASN 50 HB2 ASN 50 11.495 2.107 -7.555 329 HB3 ASN 50 HB3 ASN 50 12.297 2.507 -9.071 330 HD21 ASN 50 HD21 ASN 50 10.528 0.274 -8.341 331 HD22 ASN 50 HD22 ASN 50 11.410 -1.160 -8.728 332 H CYS 51 H CYS 51 11.861 3.824 -6.107 333 HA CYS 51 HA CYS 51 12.265 6.366 -7.258 334 HB2 CYS 51 HB2 CYS 51 10.752 5.289 -4.935 335 HB3 CYS 51 HB3 CYS 51 11.069 7.021 -4.953 336 H LEU 52 H LEU 52 13.873 4.688 -4.711 337 HA LEU 52 HA LEU 52 14.974 6.995 -3.424 338 HB2 LEU 52 HB2 LEU 52 15.322 4.056 -3.238 339 HB3 LEU 52 HB3 LEU 52 16.638 5.066 -2.643 340 HG LEU 52 HG LEU 52 13.780 5.218 -1.685 341 HD11 LEU 52 HD11 LEU 52 14.498 4.057 0.279 342 HD12 LEU 52 HD12 LEU 52 16.167 4.022 -0.289 343 HD13 LEU 52 HD13 LEU 52 14.931 3.083 -1.126 344 HD21 LEU 52 HD21 LEU 52 16.300 6.672 -1.000 345 HD22 LEU 52 HD22 LEU 52 15.066 6.415 0.234 346 HD23 LEU 52 HD23 LEU 52 14.670 7.302 -1.239 347 H LYS 53 H LYS 53 16.479 4.428 -5.396 348 HA LYS 53 HA LYS 53 18.977 5.547 -5.702 349 HB2 LYS 53 HB2 LYS 53 17.888 3.287 -6.577 350 HB3 LYS 53 HB3 LYS 53 17.752 4.208 -8.069 351 HG2 LYS 53 HG2 LYS 53 19.987 4.220 -8.431 352 HG3 LYS 53 HG3 LYS 53 20.378 4.249 -6.710 353 HD2 LYS 53 HD2 LYS 53 21.045 2.131 -7.712 354 HD3 LYS 53 HD3 LYS 53 19.753 1.884 -6.534 355 HE2 LYS 53 HE2 LYS 53 18.804 2.369 -9.259 356 HE3 LYS 53 HE3 LYS 53 19.781 0.910 -9.093 357 HZ1 LYS 53 HZ1 LYS 53 17.906 -0.041 -8.403 358 HZ2 LYS 53 HZ2 LYS 53 17.119 1.437 -8.166 359 HZ3 LYS 53 HZ3 LYS 53 18.114 0.806 -6.953 360 H SER 54 H SER 54 16.046 6.180 -7.574 361 HA SER 54 HA SER 54 17.336 7.935 -9.428 362 HB2 SER 54 HB2 SER 54 14.379 7.811 -8.815 363 HB3 SER 54 HB3 SER 54 15.149 8.356 -10.305 364 HG SER 54 HG SER 54 14.582 6.322 -10.767 365 H ALA 55 H ALA 55 15.800 8.290 -6.327 366 HA ALA 55 HA ALA 55 15.394 11.105 -6.446 367 HB1 ALA 55 HB1 ALA 55 15.220 10.884 -3.936 368 HB2 ALA 55 HB2 ALA 55 14.096 9.903 -4.878 369 HB3 ALA 55 HB3 ALA 55 15.523 9.161 -4.155 370 H ALA 56 H ALA 56 17.866 9.112 -4.822 371 HA ALA 56 HA ALA 56 19.425 11.294 -3.935 372 HB1 ALA 56 HB1 ALA 56 19.530 9.003 -2.990 373 HB2 ALA 56 HB2 ALA 56 20.360 8.476 -4.454 374 HB3 ALA 56 HB3 ALA 56 21.112 9.669 -3.396 375 H GLY 57 H GLY 57 18.996 9.958 -7.022 376 HA2 GLY 57 HA2 GLY 57 21.553 10.304 -8.153 377 HA3 GLY 57 HA3 GLY 57 20.036 10.299 -9.039 378 H SER 58 H SER 58 19.303 12.614 -7.071 379 HA SER 58 HA SER 58 20.337 14.698 -8.842 380 HB2 SER 58 HB2 SER 58 18.551 16.090 -8.009 381 HB3 SER 58 HB3 SER 58 17.873 14.510 -8.404 382 HG SER 58 HG SER 58 17.353 15.569 -6.268 383 H ILE 59 H ILE 59 21.416 13.290 -6.169 384 HA ILE 59 HA ILE 59 22.015 15.629 -4.574 385 HB ILE 59 HB ILE 59 23.066 12.813 -4.276 386 HG12 ILE 59 HG12 ILE 59 20.717 14.179 -2.944 387 HG13 ILE 59 HG13 ILE 59 20.623 12.868 -4.116 388 HG21 ILE 59 HG21 ILE 59 23.576 13.495 -1.981 389 HG22 ILE 59 HG22 ILE 59 24.442 14.480 -3.159 390 HG23 ILE 59 HG23 ILE 59 23.018 15.128 -2.345 391 HD11 ILE 59 HD11 ILE 59 21.852 12.697 -1.375 392 HD12 ILE 59 HD12 ILE 59 20.278 12.062 -1.854 393 HD13 ILE 59 HD13 ILE 59 21.751 11.384 -2.547 394 H THR 60 H THR 60 23.366 16.991 -5.640 395 HA THR 60 HA THR 60 25.498 16.240 -7.303 396 HB THR 60 HB THR 60 24.678 18.470 -7.486 397 HG1 THR 60 HG1 THR 60 27.133 18.962 -6.203 398 HG21 THR 60 HG21 THR 60 23.925 19.561 -5.695 399 HG22 THR 60 HG22 THR 60 25.590 19.781 -5.157 400 HG23 THR 60 HG23 THR 60 24.671 18.373 -4.627 401 H LYS 61 H LYS 61 27.434 15.427 -6.862 402 HA LYS 61 HA LYS 61 29.276 14.716 -5.733 403 HB2 LYS 61 HB2 LYS 61 28.703 17.350 -4.418 404 HB3 LYS 61 HB3 LYS 61 30.003 16.330 -3.815 405 HG2 LYS 61 HG2 LYS 61 30.779 16.299 -6.292 406 HG3 LYS 61 HG3 LYS 61 29.761 17.734 -6.438 407 HD2 LYS 61 HD2 LYS 61 31.466 17.815 -4.085 408 HD3 LYS 61 HD3 LYS 61 32.390 17.668 -5.581 409 HE2 LYS 61 HE2 LYS 61 30.773 19.560 -6.401 410 HE3 LYS 61 HE3 LYS 61 30.569 19.852 -4.674 411 HZ1 LYS 61 HZ1 LYS 61 33.309 19.570 -5.584 412 HZ2 LYS 61 HZ2 LYS 61 32.641 20.664 -4.480 413 HZ3 LYS 61 HZ3 LYS 61 32.501 20.947 -6.142 414 H LEU 62 H LEU 62 27.069 13.342 -5.033 415 HA LEU 62 HA LEU 62 26.240 13.277 -2.408 416 HB2 LEU 62 HB2 LEU 62 25.193 11.899 -4.055 417 HB3 LEU 62 HB3 LEU 62 26.691 11.016 -4.344 418 HG LEU 62 HG LEU 62 26.359 10.421 -1.764 419 HD11 LEU 62 HD11 LEU 62 23.731 9.862 -1.839 420 HD12 LEU 62 HD12 LEU 62 23.744 11.399 -2.704 421 HD13 LEU 62 HD13 LEU 62 24.404 11.301 -1.072 422 HD21 LEU 62 HD21 LEU 62 24.714 8.559 -2.983 423 HD22 LEU 62 HD22 LEU 62 26.471 8.482 -2.853 424 HD23 LEU 62 HD23 LEU 62 25.722 9.165 -4.297 425 H ASN 63 H ASN 63 26.992 12.450 -0.511 426 HA ASN 63 HA ASN 63 29.801 11.580 -0.505 427 HB2 ASN 63 HB2 ASN 63 28.843 13.659 0.831 428 HB3 ASN 63 HB3 ASN 63 28.398 12.415 1.996 429 HD21 ASN 63 HD21 ASN 63 30.612 14.632 1.476 430 HD22 ASN 63 HD22 ASN 63 32.020 13.866 2.123 431 H THR 64 H THR 64 29.830 9.412 -0.606 432 HA THR 64 HA THR 64 27.901 7.632 0.263 433 HB THR 64 HB THR 64 29.828 5.960 0.427 434 HG1 THR 64 HG1 THR 64 31.364 7.991 -0.800 435 HG21 THR 64 HG21 THR 64 29.262 5.589 -1.694 436 HG22 THR 64 HG22 THR 64 30.298 6.920 -2.211 437 HG23 THR 64 HG23 THR 64 28.608 7.223 -1.805 438 H ASN 65 H ASN 65 30.499 9.152 2.068 439 HA ASN 65 HA ASN 65 30.304 7.520 4.380 440 HB2 ASN 65 HB2 ASN 65 31.431 10.281 3.914 441 HB3 ASN 65 HB3 ASN 65 31.492 9.485 5.484 442 HD21 ASN 65 HD21 ASN 65 33.786 10.250 4.230 443 HD22 ASN 65 HD22 ASN 65 34.661 8.856 3.705 444 H ASN 66 H ASN 66 28.907 10.664 3.513 445 HA ASN 66 HA ASN 66 27.552 11.031 5.985 446 HB2 ASN 66 HB2 ASN 66 26.889 12.267 3.305 447 HB3 ASN 66 HB3 ASN 66 26.425 12.876 4.891 448 HD21 ASN 66 HD21 ASN 66 27.670 14.561 3.240 449 HD22 ASN 66 HD22 ASN 66 29.294 14.848 3.754 450 H ALA 67 H ALA 67 26.651 9.635 2.879 451 HA ALA 67 HA ALA 67 23.895 9.370 3.330 452 HB1 ALA 67 HB1 ALA 67 25.344 8.988 1.185 453 HB2 ALA 67 HB2 ALA 67 25.374 7.317 1.751 454 HB3 ALA 67 HB3 ALA 67 23.833 8.106 1.412 455 H ALA 68 H ALA 68 26.612 7.277 4.165 456 HA ALA 68 HA ALA 68 24.955 5.156 5.158 457 HB1 ALA 68 HB1 ALA 68 27.286 4.517 6.217 458 HB2 ALA 68 HB2 ALA 68 26.967 4.305 4.494 459 HB3 ALA 68 HB3 ALA 68 27.874 5.709 5.057 460 H ALA 69 H ALA 69 26.390 8.035 6.472 461 HA ALA 69 HA ALA 69 26.197 7.275 9.221 462 HB1 ALA 69 HB1 ALA 69 26.481 9.995 7.949 463 HB2 ALA 69 HB2 ALA 69 26.631 9.659 9.674 464 HB3 ALA 69 HB3 ALA 69 27.786 8.965 8.537 465 H LEU 70 H LEU 70 24.021 8.624 6.888 466 HA LEU 70 HA LEU 70 22.187 9.923 8.538 467 HB2 LEU 70 HB2 LEU 70 21.774 10.300 6.323 468 HB3 LEU 70 HB3 LEU 70 22.074 8.624 5.870 469 HG LEU 70 HG LEU 70 19.882 7.985 6.715 470 HD11 LEU 70 HD11 LEU 70 19.333 10.898 7.209 471 HD12 LEU 70 HD12 LEU 70 19.847 9.792 8.483 472 HD13 LEU 70 HD13 LEU 70 18.331 9.508 7.627 473 HD21 LEU 70 HD21 LEU 70 18.582 8.919 4.981 474 HD22 LEU 70 HD22 LEU 70 20.236 8.876 4.371 475 HD23 LEU 70 HD23 LEU 70 19.547 10.394 4.947 476 HA PRO 71 HA PRO 71 19.791 5.739 8.904 477 HB2 PRO 71 HB2 PRO 71 21.088 3.494 8.099 478 HB3 PRO 71 HB3 PRO 71 20.083 4.463 7.015 479 HG2 PRO 71 HG2 PRO 71 23.060 4.447 7.328 480 HG3 PRO 71 HG3 PRO 71 22.091 4.498 5.844 481 HD2 PRO 71 HD2 PRO 71 23.238 6.706 6.910 482 HD3 PRO 71 HD3 PRO 71 21.700 6.762 6.026 483 H GLY 72 H GLY 72 23.315 5.416 9.243 484 HA2 GLY 72 HA2 GLY 72 23.248 3.687 11.482 485 HA3 GLY 72 HA3 GLY 72 24.614 4.674 10.985 486 H LYS 73 H LYS 73 23.229 7.194 11.189 487 HA LYS 73 HA LYS 73 23.607 7.645 13.998 488 HB2 LYS 73 HB2 LYS 73 22.831 9.421 11.691 489 HB3 LYS 73 HB3 LYS 73 22.873 10.013 13.347 490 HG2 LYS 73 HG2 LYS 73 25.315 8.648 12.780 491 HG3 LYS 73 HG3 LYS 73 24.994 9.830 11.509 492 HD2 LYS 73 HD2 LYS 73 24.426 11.378 13.568 493 HD3 LYS 73 HD3 LYS 73 25.477 10.244 14.419 494 HE2 LYS 73 HE2 LYS 73 27.251 10.673 12.786 495 HE3 LYS 73 HE3 LYS 73 26.199 11.806 11.941 496 HZ1 LYS 73 HZ1 LYS 73 26.780 13.402 13.340 497 HZ2 LYS 73 HZ2 LYS 73 27.908 12.356 14.042 498 HZ3 LYS 73 HZ3 LYS 73 26.348 12.472 14.685 499 H CYS 74 H CYS 74 20.890 7.235 11.854 500 HA CYS 74 HA CYS 74 18.959 8.170 13.792 501 HB2 CYS 74 HB2 CYS 74 18.679 6.859 11.086 502 HB3 CYS 74 HB3 CYS 74 17.302 7.310 12.086 503 H GLY 75 H GLY 75 20.793 5.497 13.681 504 HA2 GLY 75 HA2 GLY 75 20.674 3.509 14.836 505 HA3 GLY 75 HA3 GLY 75 19.147 4.061 15.509 506 H VAL 76 H VAL 76 19.108 4.204 12.152 507 HA VAL 76 HA VAL 76 17.786 1.572 11.995 508 HB VAL 76 HB VAL 76 16.113 3.308 11.817 509 HG11 VAL 76 HG11 VAL 76 16.180 5.086 10.253 510 HG12 VAL 76 HG12 VAL 76 17.754 5.068 11.051 511 HG13 VAL 76 HG13 VAL 76 17.579 4.401 9.427 512 HG21 VAL 76 HG21 VAL 76 15.802 1.346 10.423 513 HG22 VAL 76 HG22 VAL 76 15.192 2.779 9.596 514 HG23 VAL 76 HG23 VAL 76 16.746 2.087 9.130 515 H ASN 77 H ASN 77 18.802 0.192 10.712 516 HA ASN 77 HA ASN 77 20.587 1.238 8.628 517 HB2 ASN 77 HB2 ASN 77 21.439 -0.361 10.427 518 HB3 ASN 77 HB3 ASN 77 20.483 -1.606 9.630 519 HD21 ASN 77 HD21 ASN 77 23.240 0.488 9.389 520 HD22 ASN 77 HD22 ASN 77 23.974 -0.298 8.037 521 H ILE 78 H ILE 78 20.619 0.223 6.541 522 HA ILE 78 HA ILE 78 17.994 -0.880 5.788 523 HB ILE 78 HB ILE 78 18.671 -0.101 3.447 524 HG12 ILE 78 HG12 ILE 78 21.091 0.336 4.420 525 HG13 ILE 78 HG13 ILE 78 20.432 1.353 3.144 526 HG21 ILE 78 HG21 ILE 78 16.922 1.076 4.387 527 HG22 ILE 78 HG22 ILE 78 17.903 1.670 5.726 528 HG23 ILE 78 HG23 ILE 78 18.110 2.350 4.112 529 HD11 ILE 78 HD11 ILE 78 21.587 2.395 5.244 530 HD12 ILE 78 HD12 ILE 78 20.159 3.147 4.531 531 HD13 ILE 78 HD13 ILE 78 20.001 2.148 5.975 532 HA PRO 79 HA PRO 79 19.880 -4.637 4.508 533 HB2 PRO 79 HB2 PRO 79 18.177 -5.383 2.530 534 HB3 PRO 79 HB3 PRO 79 17.751 -5.458 4.244 535 HG2 PRO 79 HG2 PRO 79 17.058 -3.373 2.210 536 HG3 PRO 79 HG3 PRO 79 16.032 -4.103 3.458 537 HD2 PRO 79 HD2 PRO 79 17.166 -1.661 3.749 538 HD3 PRO 79 HD3 PRO 79 16.875 -2.749 5.122 539 H TYR 80 H TYR 80 19.429 -2.013 2.300 540 HA TYR 80 HA TYR 80 21.491 -3.165 0.540 541 HB2 TYR 80 HB2 TYR 80 19.341 -1.272 -0.402 542 HB3 TYR 80 HB3 TYR 80 20.444 -2.233 -1.380 543 HD1 TYR 80 HD2 TYR 80 20.233 -4.839 -1.051 544 HD2 TYR 80 HD1 TYR 80 17.181 -2.037 -0.082 545 HE1 TYR 80 HE2 TYR 80 18.552 -6.629 -1.196 546 HE2 TYR 80 HE1 TYR 80 15.492 -3.819 -0.223 547 HH TYR 80 HH TYR 80 16.338 -7.072 -1.291 548 H LYS 81 H LYS 81 22.613 -1.414 -0.772 549 HA LYS 81 HA LYS 81 23.534 0.617 1.075 550 HB2 LYS 81 HB2 LYS 81 24.436 -0.154 -1.704 551 HB3 LYS 81 HB3 LYS 81 25.191 1.111 -0.742 552 HG2 LYS 81 HG2 LYS 81 25.078 -1.186 0.883 553 HG3 LYS 81 HG3 LYS 81 25.656 -1.702 -0.702 554 HD2 LYS 81 HD2 LYS 81 27.400 -0.009 -0.640 555 HD3 LYS 81 HD3 LYS 81 26.798 0.579 0.912 556 HE2 LYS 81 HE2 LYS 81 27.989 -0.950 1.999 557 HE3 LYS 81 HE3 LYS 81 27.250 -2.246 1.060 558 HZ1 LYS 81 HZ1 LYS 81 29.033 -1.134 -0.664 559 HZ2 LYS 81 HZ2 LYS 81 29.275 -2.552 0.226 560 HZ3 LYS 81 HZ3 LYS 81 29.853 -1.075 0.815 561 H ILE 82 H ILE 82 23.922 2.861 0.238 562 HA ILE 82 HA ILE 82 21.606 3.744 -1.358 563 HB ILE 82 HB ILE 82 23.040 5.541 0.567 564 HG12 ILE 82 HG12 ILE 82 22.431 3.621 1.910 565 HG13 ILE 82 HG13 ILE 82 21.319 4.939 2.265 566 HG21 ILE 82 HG21 ILE 82 20.949 6.743 0.576 567 HG22 ILE 82 HG22 ILE 82 21.463 6.478 -1.089 568 HG23 ILE 82 HG23 ILE 82 20.183 5.485 -0.393 569 HD11 ILE 82 HD11 ILE 82 20.197 3.417 0.164 570 HD12 ILE 82 HD12 ILE 82 20.737 2.299 1.418 571 HD13 ILE 82 HD13 ILE 82 19.620 3.604 1.820 572 H SER 83 H SER 83 22.566 3.802 -3.362 573 HA SER 83 HA SER 83 24.039 6.104 -4.040 574 HB2 SER 83 HB2 SER 83 25.860 4.755 -2.945 575 HB3 SER 83 HB3 SER 83 25.656 3.553 -4.219 576 HG SER 83 HG SER 83 27.209 4.840 -5.002 577 H THR 84 H THR 84 25.102 5.653 -6.383 578 HA THR 84 HA THR 84 22.868 4.821 -8.006 579 HB THR 84 HB THR 84 24.475 5.440 -9.913 580 HG1 THR 84 HG1 THR 84 25.908 6.727 -7.828 581 HG21 THR 84 HG21 THR 84 24.172 7.833 -8.203 582 HG22 THR 84 HG22 THR 84 22.704 6.907 -8.513 583 HG23 THR 84 HG23 THR 84 23.643 7.549 -9.861 584 H THR 85 H THR 85 25.221 3.120 -6.532 585 HA THR 85 HA THR 85 25.450 1.169 -8.729 586 HB THR 85 HB THR 85 27.477 0.331 -7.693 587 HG1 THR 85 HG1 THR 85 27.605 0.648 -5.603 588 HG21 THR 85 HG21 THR 85 27.372 3.311 -8.104 589 HG22 THR 85 HG22 THR 85 27.919 2.069 -9.230 590 HG23 THR 85 HG23 THR 85 28.882 2.452 -7.803 591 H THR 86 H THR 86 23.124 1.188 -7.243 592 HA THR 86 HA THR 86 23.407 -1.285 -5.666 593 HB THR 86 HB THR 86 21.604 1.067 -5.074 594 HG1 THR 86 HG1 THR 86 23.521 1.445 -4.106 595 HG21 THR 86 HG21 THR 86 20.180 -0.578 -4.415 596 HG22 THR 86 HG22 THR 86 21.215 -0.571 -2.988 597 HG23 THR 86 HG23 THR 86 21.465 -1.774 -4.253 598 H ASN 87 H ASN 87 21.858 -2.852 -5.958 599 HA ASN 87 HA ASN 87 19.650 -2.284 -7.797 600 HB2 ASN 87 HB2 ASN 87 21.675 -3.272 -9.008 601 HB3 ASN 87 HB3 ASN 87 21.349 -4.755 -8.116 602 HD21 ASN 87 HD21 ASN 87 21.315 -4.873 -10.786 603 HD22 ASN 87 HD22 ASN 87 19.700 -5.039 -11.377 604 H CYS 88 H CYS 88 18.123 -2.503 -6.204 605 HA CYS 88 HA CYS 88 18.123 -4.763 -4.419 606 HB2 CYS 88 HB2 CYS 88 15.860 -2.820 -4.877 607 HB3 CYS 88 HB3 CYS 88 16.171 -3.796 -3.445 608 H ASN 89 H ASN 89 16.878 -4.051 -7.533 609 HA ASN 89 HA ASN 89 14.673 -5.846 -7.530 610 HB2 ASN 89 HB2 ASN 89 16.267 -4.897 -9.918 611 HB3 ASN 89 HB3 ASN 89 14.616 -5.512 -9.921 612 HD21 ASN 89 HD21 ASN 89 15.408 -3.037 -10.983 613 HD22 ASN 89 HD22 ASN 89 14.645 -1.789 -10.065 614 H THR 90 H THR 90 18.056 -6.276 -7.745 615 HA THR 90 HA THR 90 17.823 -8.899 -9.010 616 HB THR 90 HB THR 90 20.431 -8.780 -8.498 617 HG1 THR 90 HG1 THR 90 21.173 -6.772 -8.217 618 HG21 THR 90 HG21 THR 90 18.763 -7.732 -10.704 619 HG22 THR 90 HG22 THR 90 20.034 -8.954 -10.725 620 HG23 THR 90 HG23 THR 90 20.457 -7.242 -10.703 621 H VAL 91 H VAL 91 18.094 -7.468 -5.903 622 HA VAL 91 HA VAL 91 19.030 -9.941 -4.661 623 HB VAL 91 HB VAL 91 18.319 -7.348 -3.290 624 HG11 VAL 91 HG11 VAL 91 18.378 -9.207 -1.774 625 HG12 VAL 91 HG12 VAL 91 19.919 -9.756 -2.436 626 HG13 VAL 91 HG13 VAL 91 19.834 -8.244 -1.532 627 HG21 VAL 91 HG21 VAL 91 20.118 -6.454 -4.248 628 HG22 VAL 91 HG22 VAL 91 21.091 -7.606 -3.333 629 HG23 VAL 91 HG23 VAL 91 20.576 -7.994 -4.975 630 H LYS 92 H LYS 92 17.715 -11.365 -3.726 631 HA LYS 92 HA LYS 92 14.902 -10.594 -3.315 632 HB2 LYS 92 HB2 LYS 92 16.195 -13.095 -4.288 633 HB3 LYS 92 HB3 LYS 92 14.721 -13.252 -3.342 634 HG2 LYS 92 HG2 LYS 92 14.902 -11.459 -5.742 635 HG3 LYS 92 HG3 LYS 92 14.468 -13.166 -5.860 636 HD2 LYS 92 HD2 LYS 92 13.000 -11.553 -3.859 637 HD3 LYS 92 HD3 LYS 92 12.659 -11.212 -5.557 638 HE2 LYS 92 HE2 LYS 92 11.361 -13.010 -5.663 639 HE3 LYS 92 HE3 LYS 92 12.726 -14.031 -5.217 640 HZ1 LYS 92 HZ1 LYS 92 12.123 -14.036 -3.020 641 HZ2 LYS 92 HZ2 LYS 92 10.601 -13.991 -3.755 642 HZ3 LYS 92 HZ3 LYS 92 11.274 -12.576 -3.117 643 H PHE 93 H PHE 93 14.479 -10.229 -1.243 644 HA PHE 93 HA PHE 93 14.500 -10.364 1.030 645 HB2 PHE 93 HB2 PHE 93 14.503 -13.183 0.080 646 HB3 PHE 93 HB3 PHE 93 14.807 -12.909 1.792 647 HD1 PHE 93 HD1 PHE 93 13.100 -10.950 2.725 648 HD2 PHE 93 HD2 PHE 93 12.343 -13.747 -0.393 649 HE1 PHE 93 HE1 PHE 93 10.682 -10.730 3.120 650 HE2 PHE 93 HE2 PHE 93 9.923 -13.531 -0.003 651 HZ PHE 93 HZ PHE 93 9.089 -12.021 1.755 Start of MODEL 10 1 H1 ALA 1 H ALA 1 0.708 1.112 0.822 2 HA ALA 1 HA ALA 1 2.445 -0.301 -0.243 3 HB1 ALA 1 HB1 ALA 1 2.378 -0.343 -2.749 4 HB2 ALA 1 HB2 ALA 1 1.092 -1.254 -1.954 5 HB3 ALA 1 HB3 ALA 1 0.750 0.329 -2.651 6 H ILE 2 H ILE 2 4.352 0.625 -1.058 7 HA ILE 2 HA ILE 2 4.514 3.467 -0.731 8 HB ILE 2 HB ILE 2 6.611 1.481 -1.615 9 HG12 ILE 2 HG12 ILE 2 7.416 2.172 0.808 10 HG13 ILE 2 HG13 ILE 2 5.710 2.540 1.031 11 HG21 ILE 2 HG21 ILE 2 7.539 3.423 -2.371 12 HG22 ILE 2 HG22 ILE 2 6.671 4.422 -1.206 13 HG23 ILE 2 HG23 ILE 2 8.072 3.483 -0.691 14 HD11 ILE 2 HD11 ILE 2 6.536 0.230 1.715 15 HD12 ILE 2 HD12 ILE 2 5.076 0.317 0.729 16 HD13 ILE 2 HD13 ILE 2 6.617 -0.116 -0.012 17 H SER 3 H SER 3 4.009 4.880 -2.257 18 HA SER 3 HA SER 3 4.123 4.086 -5.066 19 HB2 SER 3 HB2 SER 3 2.059 5.095 -4.622 20 HB3 SER 3 HB3 SER 3 2.775 6.321 -3.576 21 HG SER 3 HG SER 3 2.709 7.516 -5.301 22 H CYS 4 H CYS 4 4.728 7.234 -3.534 23 HA CYS 4 HA CYS 4 7.476 7.364 -4.099 24 HB2 CYS 4 HB2 CYS 4 6.008 7.568 -6.420 25 HB3 CYS 4 HB3 CYS 4 6.259 9.254 -5.980 26 H GLY 5 H GLY 5 4.465 9.222 -3.920 27 HA2 GLY 5 HA2 GLY 5 5.483 11.679 -3.118 28 HA3 GLY 5 HA3 GLY 5 3.902 11.060 -2.665 29 H ALA 6 H ALA 6 4.786 8.817 -1.166 30 HA ALA 6 HA ALA 6 5.278 10.092 1.336 31 HB1 ALA 6 HB1 ALA 6 4.825 7.308 0.415 32 HB2 ALA 6 HB2 ALA 6 5.587 7.542 1.989 33 HB3 ALA 6 HB3 ALA 6 3.999 8.238 1.666 34 H VAL 7 H VAL 7 7.280 8.613 -1.072 35 HA VAL 7 HA VAL 7 9.542 8.179 0.646 36 HB VAL 7 HB VAL 7 9.493 8.305 -2.371 37 HG11 VAL 7 HG11 VAL 7 11.616 8.084 -0.540 38 HG12 VAL 7 HG12 VAL 7 11.393 6.482 -1.247 39 HG13 VAL 7 HG13 VAL 7 11.670 7.877 -2.290 40 HG21 VAL 7 HG21 VAL 7 9.215 5.881 -0.599 41 HG22 VAL 7 HG22 VAL 7 7.881 6.661 -1.450 42 HG23 VAL 7 HG23 VAL 7 9.193 5.914 -2.362 43 H THR 8 H THR 8 8.677 10.569 -1.835 44 HA THR 8 HA THR 8 11.052 12.081 -1.650 45 HB THR 8 HB THR 8 8.414 13.309 -2.398 46 HG1 THR 8 HG1 THR 8 9.994 11.573 -4.020 47 HG21 THR 8 HG21 THR 8 9.789 14.965 -2.988 48 HG22 THR 8 HG22 THR 8 10.419 13.906 -4.251 49 HG23 THR 8 HG23 THR 8 11.211 13.970 -2.677 50 H SER 9 H SER 9 8.236 11.924 0.334 51 HA SER 9 HA SER 9 8.299 14.483 1.495 52 HB2 SER 9 HB2 SER 9 6.348 13.414 2.051 53 HB3 SER 9 HB3 SER 9 7.131 11.844 2.223 54 HG SER 9 HG SER 9 6.461 13.528 4.136 55 H ASP 10 H ASP 10 9.708 11.413 2.620 56 HA ASP 10 HA ASP 10 11.068 12.653 4.815 57 HB2 ASP 10 HB2 ASP 10 11.839 9.973 3.711 58 HB3 ASP 10 HB3 ASP 10 11.805 10.518 5.386 59 H LEU 11 H LEU 11 11.743 12.190 1.487 60 HA LEU 11 HA LEU 11 14.583 12.200 1.624 61 HB2 LEU 11 HB2 LEU 11 12.589 12.725 -0.549 62 HB3 LEU 11 HB3 LEU 11 14.311 12.986 -0.818 63 HG LEU 11 HG LEU 11 13.176 10.344 0.075 64 HD11 LEU 11 HD11 LEU 11 13.758 9.854 -2.458 65 HD12 LEU 11 HD12 LEU 11 13.345 11.560 -2.627 66 HD13 LEU 11 HD13 LEU 11 12.165 10.430 -1.963 67 HD21 LEU 11 HD21 LEU 11 15.320 9.818 0.292 68 HD22 LEU 11 HD22 LEU 11 15.815 11.400 -0.310 69 HD23 LEU 11 HD23 LEU 11 15.521 10.078 -1.441 70 H SER 12 H SER 12 12.127 14.698 1.420 71 HA SER 12 HA SER 12 13.669 16.885 0.698 72 HB2 SER 12 HB2 SER 12 11.452 17.463 0.789 73 HB3 SER 12 HB3 SER 12 11.152 16.510 2.242 74 HG SER 12 HG SER 12 11.251 18.367 3.217 75 HA PRO 13 HA PRO 13 14.625 17.666 5.372 76 HB2 PRO 13 HB2 PRO 13 14.042 15.662 7.109 77 HB3 PRO 13 HB3 PRO 13 12.891 16.937 6.691 78 HG2 PRO 13 HG2 PRO 13 13.089 14.143 5.634 79 HG3 PRO 13 HG3 PRO 13 11.647 15.060 6.108 80 HD2 PRO 13 HD2 PRO 13 12.401 14.762 3.524 81 HD3 PRO 13 HD3 PRO 13 11.576 16.218 4.116 82 H CYS 14 H CYS 14 15.023 14.502 3.957 83 HA CYS 14 HA CYS 14 17.438 13.913 5.433 84 HB2 CYS 14 HB2 CYS 14 15.905 12.520 3.254 85 HB3 CYS 14 HB3 CYS 14 17.523 11.987 3.697 86 H LEU 15 H LEU 15 16.606 15.642 2.629 87 HA LEU 15 HA LEU 15 18.898 15.226 1.042 88 HB2 LEU 15 HB2 LEU 15 16.737 17.245 1.191 89 HB3 LEU 15 HB3 LEU 15 18.210 17.712 0.343 90 HG LEU 15 HG LEU 15 16.421 15.378 -0.333 91 HD11 LEU 15 HD11 LEU 15 15.913 16.637 -2.344 92 HD12 LEU 15 HD12 LEU 15 16.955 17.954 -1.806 93 HD13 LEU 15 HD13 LEU 15 15.486 17.570 -0.910 94 HD21 LEU 15 HD21 LEU 15 17.982 15.523 -2.443 95 HD22 LEU 15 HD22 LEU 15 18.459 14.592 -1.023 96 HD23 LEU 15 HD23 LEU 15 19.119 16.208 -1.282 97 H THR 16 H THR 16 18.123 17.732 3.441 98 HA THR 16 HA THR 16 20.367 19.310 3.249 99 HB THR 16 HB THR 16 19.001 18.547 5.837 100 HG1 THR 16 HG1 THR 16 17.676 20.360 5.379 101 HG21 THR 16 HG21 THR 16 21.248 20.145 5.374 102 HG22 THR 16 HG22 THR 16 20.276 20.077 6.844 103 HG23 THR 16 HG23 THR 16 19.915 21.276 5.601 104 H TYR 17 H TYR 17 19.996 16.232 4.929 105 HA TYR 17 HA TYR 17 22.690 16.333 5.986 106 HB2 TYR 17 HB2 TYR 17 20.727 15.282 7.193 107 HB3 TYR 17 HB3 TYR 17 20.797 13.980 6.010 108 HD1 TYR 17 HD2 TYR 17 23.609 15.776 7.659 109 HD2 TYR 17 HD1 TYR 17 21.464 12.123 7.260 110 HE1 TYR 17 HE2 TYR 17 25.309 14.635 9.022 111 HE2 TYR 17 HE1 TYR 17 23.158 10.972 8.622 112 HH TYR 17 HH TYR 17 26.103 12.598 9.650 113 H LEU 18 H LEU 18 20.949 14.788 3.364 114 HA LEU 18 HA LEU 18 23.033 12.985 2.636 115 HB2 LEU 18 HB2 LEU 18 20.479 13.908 1.430 116 HB3 LEU 18 HB3 LEU 18 21.661 13.137 0.374 117 HG LEU 18 HG LEU 18 20.428 11.899 2.836 118 HD11 LEU 18 HD11 LEU 18 19.134 10.559 1.375 119 HD12 LEU 18 HD12 LEU 18 19.996 11.150 -0.045 120 HD13 LEU 18 HD13 LEU 18 18.922 12.228 0.845 121 HD21 LEU 18 HD21 LEU 18 21.545 9.913 1.288 122 HD22 LEU 18 HD22 LEU 18 22.224 10.578 2.774 123 HD23 LEU 18 HD23 LEU 18 22.738 11.209 1.209 124 H THR 19 H THR 19 22.748 16.305 2.375 125 HA THR 19 HA THR 19 24.326 16.504 -0.076 126 HB THR 19 HB THR 19 24.120 19.044 0.536 127 HG1 THR 19 HG1 THR 19 21.749 18.195 1.793 128 HG21 THR 19 HG21 THR 19 22.617 19.077 -1.123 129 HG22 THR 19 HG22 THR 19 21.441 18.162 -0.179 130 HG23 THR 19 HG23 THR 19 22.694 17.316 -1.086 131 H GLY 20 H GLY 20 24.782 16.338 3.276 132 HA2 GLY 20 HA2 GLY 20 27.082 16.041 4.034 133 HA3 GLY 20 HA3 GLY 20 27.537 17.349 2.953 134 H GLY 21 H GLY 21 24.599 17.919 4.540 135 HA2 GLY 21 HA2 GLY 21 25.878 19.963 6.180 136 HA3 GLY 21 HA3 GLY 21 24.157 19.811 5.860 137 HA PRO 22 HA PRO 22 24.939 18.413 10.206 138 HB2 PRO 22 HB2 PRO 22 22.848 19.782 11.268 139 HB3 PRO 22 HB3 PRO 22 24.447 20.499 11.036 140 HG2 PRO 22 HG2 PRO 22 21.997 20.742 9.333 141 HG3 PRO 22 HG3 PRO 22 23.150 21.998 9.820 142 HD2 PRO 22 HD2 PRO 22 23.215 20.828 7.379 143 HD3 PRO 22 HD3 PRO 22 24.680 21.396 8.205 144 H GLY 23 H GLY 23 23.986 16.661 11.101 145 HA2 GLY 23 HA2 GLY 23 21.381 15.957 11.328 146 HA3 GLY 23 HA3 GLY 23 21.775 15.448 9.692 147 HA PRO 24 HA PRO 24 20.755 13.705 9.452 148 HB2 PRO 24 HB2 PRO 24 19.312 11.627 10.438 149 HB3 PRO 24 HB3 PRO 24 20.672 11.412 9.328 150 HG2 PRO 24 HG2 PRO 24 20.594 11.124 12.307 151 HG3 PRO 24 HG3 PRO 24 21.384 10.089 11.103 152 HD2 PRO 24 HD2 PRO 24 22.740 11.922 12.563 153 HD3 PRO 24 HD3 PRO 24 23.200 11.494 10.902 154 H SER 25 H SER 25 18.928 14.870 9.649 155 HA SER 25 HA SER 25 18.251 16.099 12.091 156 HB2 SER 25 HB2 SER 25 16.049 16.582 10.637 157 HB3 SER 25 HB3 SER 25 17.571 17.428 10.357 158 HG SER 25 HG SER 25 16.273 16.122 8.586 159 HA PRO 26 HA PRO 26 15.344 13.439 14.017 160 HB2 PRO 26 HB2 PRO 26 13.370 15.131 14.799 161 HB3 PRO 26 HB3 PRO 26 14.964 15.096 15.562 162 HG2 PRO 26 HG2 PRO 26 13.899 16.970 13.485 163 HG3 PRO 26 HG3 PRO 26 14.868 17.330 14.925 164 HD2 PRO 26 HD2 PRO 26 15.946 17.176 12.446 165 HD3 PRO 26 HD3 PRO 26 16.841 16.712 13.907 166 H GLN 27 H GLN 27 13.723 15.761 11.854 167 HA GLN 27 HA GLN 27 11.401 14.203 11.458 168 HB2 GLN 27 HB2 GLN 27 12.651 16.490 9.963 169 HB3 GLN 27 HB3 GLN 27 11.223 15.678 9.336 170 HG2 GLN 27 HG2 GLN 27 9.868 16.468 10.997 171 HG3 GLN 27 HG3 GLN 27 11.192 16.634 12.149 172 HE21 GLN 27 HE21 GLN 27 9.089 18.521 11.279 173 HE22 GLN 27 HE22 GLN 27 9.933 19.932 10.748 174 H CYS 28 H CYS 28 14.511 14.318 9.842 175 HA CYS 28 HA CYS 28 13.814 12.829 7.550 176 HB2 CYS 28 HB2 CYS 28 15.849 14.024 7.449 177 HB3 CYS 28 HB3 CYS 28 16.425 13.333 8.963 178 H CYS 29 H CYS 29 15.372 11.815 10.590 179 HA CYS 29 HA CYS 29 15.628 9.115 10.065 180 HB2 CYS 29 HB2 CYS 29 15.145 10.619 12.629 181 HB3 CYS 29 HB3 CYS 29 15.341 8.869 12.613 182 H GLY 30 H GLY 30 12.872 10.767 11.608 183 HA2 GLY 30 HA2 GLY 30 11.243 8.580 12.062 184 HA3 GLY 30 HA3 GLY 30 10.649 10.196 11.710 185 H GLY 31 H GLY 31 11.472 10.534 9.098 186 HA2 GLY 31 HA2 GLY 31 9.456 9.103 7.703 187 HA3 GLY 31 HA3 GLY 31 10.659 10.160 6.981 188 H VAL 32 H VAL 32 12.984 8.805 7.791 189 HA VAL 32 HA VAL 32 13.334 6.977 5.734 190 HB VAL 32 HB VAL 32 14.868 7.104 8.334 191 HG11 VAL 32 HG11 VAL 32 15.530 5.096 7.395 192 HG12 VAL 32 HG12 VAL 32 15.349 5.690 5.743 193 HG13 VAL 32 HG13 VAL 32 16.709 6.226 6.730 194 HG21 VAL 32 HG21 VAL 32 16.319 8.256 6.223 195 HG22 VAL 32 HG22 VAL 32 14.690 8.925 6.125 196 HG23 VAL 32 HG23 VAL 32 15.615 9.072 7.619 197 H LYS 33 H LYS 33 13.036 6.223 9.211 198 HA LYS 33 HA LYS 33 12.901 3.449 8.933 199 HB2 LYS 33 HB2 LYS 33 11.985 5.368 11.044 200 HB3 LYS 33 HB3 LYS 33 11.574 3.664 11.177 201 HG2 LYS 33 HG2 LYS 33 13.895 3.049 11.204 202 HG3 LYS 33 HG3 LYS 33 14.379 4.718 10.889 203 HD2 LYS 33 HD2 LYS 33 14.023 5.365 13.033 204 HD3 LYS 33 HD3 LYS 33 12.652 4.274 13.247 205 HE2 LYS 33 HE2 LYS 33 14.669 2.493 13.002 206 HE3 LYS 33 HE3 LYS 33 15.523 3.841 13.751 207 HZ1 LYS 33 HZ1 LYS 33 14.751 2.675 15.559 208 HZ2 LYS 33 HZ2 LYS 33 13.296 2.239 14.814 209 HZ3 LYS 33 HZ3 LYS 33 13.522 3.822 15.364 210 H LYS 34 H LYS 34 10.530 5.882 8.342 211 HA LYS 34 HA LYS 34 8.233 4.190 8.545 212 HB2 LYS 34 HB2 LYS 34 8.400 6.793 8.638 213 HB3 LYS 34 HB3 LYS 34 8.311 6.688 6.884 214 HG2 LYS 34 HG2 LYS 34 6.107 6.668 7.085 215 HG3 LYS 34 HG3 LYS 34 6.248 5.060 7.799 216 HD2 LYS 34 HD2 LYS 34 6.268 5.945 10.001 217 HD3 LYS 34 HD3 LYS 34 6.484 7.594 9.409 218 HE2 LYS 34 HE2 LYS 34 4.212 7.096 8.180 219 HE3 LYS 34 HE3 LYS 34 4.039 5.889 9.453 220 HZ1 LYS 34 HZ1 LYS 34 3.262 8.411 9.717 221 HZ2 LYS 34 HZ2 LYS 34 4.838 8.546 10.315 222 HZ3 LYS 34 HZ3 LYS 34 3.754 7.457 11.024 223 H LEU 35 H LEU 35 10.329 5.264 5.916 224 HA LEU 35 HA LEU 35 8.807 4.185 3.798 225 HB2 LEU 35 HB2 LEU 35 10.677 5.870 3.643 226 HB3 LEU 35 HB3 LEU 35 11.797 4.525 3.845 227 HG LEU 35 HG LEU 35 9.794 4.546 1.612 228 HD11 LEU 35 HD11 LEU 35 11.962 5.360 0.327 229 HD12 LEU 35 HD12 LEU 35 12.284 6.138 1.876 230 HD13 LEU 35 HD13 LEU 35 10.794 6.496 1.002 231 HD21 LEU 35 HD21 LEU 35 12.262 3.050 2.335 232 HD22 LEU 35 HD22 LEU 35 11.904 3.308 0.627 233 HD23 LEU 35 HD23 LEU 35 10.743 2.467 1.655 234 H LEU 36 H LEU 36 11.387 2.854 5.806 235 HA LEU 36 HA LEU 36 11.485 0.374 4.346 236 HB2 LEU 36 HB2 LEU 36 12.671 1.153 7.006 237 HB3 LEU 36 HB3 LEU 36 13.007 -0.348 6.146 238 HG LEU 36 HG LEU 36 13.609 2.342 4.947 239 HD11 LEU 36 HD11 LEU 36 15.292 0.683 6.807 240 HD12 LEU 36 HD12 LEU 36 14.842 2.381 6.963 241 HD13 LEU 36 HD13 LEU 36 15.971 1.880 5.704 242 HD21 LEU 36 HD21 LEU 36 15.177 1.051 3.602 243 HD22 LEU 36 HD22 LEU 36 13.538 0.419 3.437 244 HD23 LEU 36 HD23 LEU 36 14.711 -0.422 4.452 245 H ALA 37 H ALA 37 9.747 1.648 7.052 246 HA ALA 37 HA ALA 37 8.989 -0.883 8.164 247 HB1 ALA 37 HB1 ALA 37 8.975 0.870 9.704 248 HB2 ALA 37 HB2 ALA 37 8.093 1.943 8.616 249 HB3 ALA 37 HB3 ALA 37 7.267 0.581 9.372 250 H ALA 38 H ALA 38 7.576 1.407 5.895 251 HA ALA 38 HA ALA 38 5.054 0.047 5.737 252 HB1 ALA 38 HB1 ALA 38 4.713 1.557 3.745 253 HB2 ALA 38 HB2 ALA 38 5.022 2.370 5.281 254 HB3 ALA 38 HB3 ALA 38 6.310 2.225 4.085 255 H ALA 39 H ALA 39 8.073 -0.739 4.639 256 HA ALA 39 HA ALA 39 6.955 -2.352 2.441 257 HB1 ALA 39 HB1 ALA 39 8.868 -2.029 1.123 258 HB2 ALA 39 HB2 ALA 39 8.480 -0.428 1.755 259 HB3 ALA 39 HB3 ALA 39 9.791 -1.365 2.472 260 H ASN 40 H ASN 40 6.645 -4.104 3.876 261 HA ASN 40 HA ASN 40 8.944 -5.205 5.262 262 HB2 ASN 40 HB2 ASN 40 6.796 -5.281 6.395 263 HB3 ASN 40 HB3 ASN 40 6.081 -6.162 5.048 264 HD21 ASN 40 HD21 ASN 40 5.524 -7.978 6.135 265 HD22 ASN 40 HD22 ASN 40 6.664 -9.065 6.843 266 H THR 41 H THR 41 6.922 -5.940 2.475 267 HA THR 41 HA THR 41 8.344 -8.413 1.939 268 HB THR 41 HB THR 41 6.838 -8.727 0.093 269 HG1 THR 41 HG1 THR 41 5.981 -6.050 0.585 270 HG21 THR 41 HG21 THR 41 4.925 -9.085 1.292 271 HG22 THR 41 HG22 THR 41 4.968 -7.491 2.045 272 HG23 THR 41 HG23 THR 41 6.034 -8.769 2.626 273 H THR 42 H THR 42 8.610 -8.532 -0.727 274 HA THR 42 HA THR 42 10.892 -6.828 -1.193 275 HB THR 42 HB THR 42 9.851 -8.599 -3.348 276 HG1 THR 42 HG1 THR 42 10.468 -10.439 -2.288 277 HG21 THR 42 HG21 THR 42 11.975 -8.520 -4.064 278 HG22 THR 42 HG22 THR 42 12.620 -8.850 -2.456 279 HG23 THR 42 HG23 THR 42 12.181 -7.203 -2.911 280 HA PRO 43 HA PRO 43 7.830 -5.713 -4.979 281 HB2 PRO 43 HB2 PRO 43 5.412 -5.804 -3.233 282 HB3 PRO 43 HB3 PRO 43 5.573 -6.178 -4.953 283 HG2 PRO 43 HG2 PRO 43 5.370 -8.118 -3.115 284 HG3 PRO 43 HG3 PRO 43 6.391 -8.300 -4.554 285 HD2 PRO 43 HD2 PRO 43 7.154 -7.850 -1.735 286 HD3 PRO 43 HD3 PRO 43 8.033 -8.680 -3.035 287 H ASP 44 H ASP 44 6.873 -4.868 -1.647 288 HA ASP 44 HA ASP 44 6.321 -2.156 -2.199 289 HB2 ASP 44 HB2 ASP 44 6.718 -3.797 0.251 290 HB3 ASP 44 HB3 ASP 44 6.862 -2.049 0.418 291 H ARG 45 H ARG 45 9.202 -3.763 -0.885 292 HA ARG 45 HA ARG 45 10.724 -1.430 -0.485 293 HB2 ARG 45 HB2 ARG 45 11.380 -4.337 -0.793 294 HB3 ARG 45 HB3 ARG 45 12.679 -3.151 -0.775 295 HG2 ARG 45 HG2 ARG 45 11.935 -2.363 1.413 296 HG3 ARG 45 HG3 ARG 45 10.629 -3.551 1.394 297 HD2 ARG 45 HD2 ARG 45 11.989 -5.171 2.091 298 HD3 ARG 45 HD3 ARG 45 13.182 -4.787 0.851 299 HE ARG 45 HE ARG 45 13.447 -2.841 2.784 300 HH11 ARG 45 HH11 ARG 45 13.708 -6.309 2.622 301 HH12 ARG 45 HH12 ARG 45 14.889 -6.409 3.886 302 HH21 ARG 45 HH21 ARG 45 15.001 -2.960 4.449 303 HH22 ARG 45 HH22 ARG 45 15.623 -4.504 4.925 304 H GLN 46 H GLN 46 10.048 -3.322 -3.319 305 HA GLN 46 HA GLN 46 12.201 -2.410 -4.922 306 HB2 GLN 46 HB2 GLN 46 9.627 -3.818 -5.396 307 HB3 GLN 46 HB3 GLN 46 10.374 -3.025 -6.776 308 HG2 GLN 46 HG2 GLN 46 12.394 -4.314 -6.468 309 HG3 GLN 46 HG3 GLN 46 11.727 -5.055 -5.014 310 HE21 GLN 46 HE21 GLN 46 12.278 -7.025 -6.243 311 HE22 GLN 46 HE22 GLN 46 11.100 -7.657 -7.337 312 H ALA 47 H ALA 47 8.804 -1.381 -4.679 313 HA ALA 47 HA ALA 47 8.871 0.649 -6.583 314 HB1 ALA 47 HB1 ALA 47 7.053 1.647 -4.913 315 HB2 ALA 47 HB2 ALA 47 6.730 0.251 -5.942 316 HB3 ALA 47 HB3 ALA 47 7.161 0.016 -4.249 317 H ALA 48 H ALA 48 9.330 0.919 -3.056 318 HA ALA 48 HA ALA 48 9.888 3.652 -2.978 319 HB1 ALA 48 HB1 ALA 48 11.251 1.786 -1.090 320 HB2 ALA 48 HB2 ALA 48 10.484 3.343 -0.777 321 HB3 ALA 48 HB3 ALA 48 9.492 1.915 -1.069 322 H CYS 49 H CYS 49 12.178 0.918 -3.059 323 HA CYS 49 HA CYS 49 14.556 2.274 -3.073 324 HB2 CYS 49 HB2 CYS 49 13.645 -0.305 -4.243 325 HB3 CYS 49 HB3 CYS 49 15.204 0.315 -4.778 326 H ASN 50 H ASN 50 12.337 1.785 -5.764 327 HA ASN 50 HA ASN 50 14.022 2.788 -7.796 328 HB2 ASN 50 HB2 ASN 50 11.002 2.692 -7.635 329 HB3 ASN 50 HB3 ASN 50 11.917 3.058 -9.094 330 HD21 ASN 50 HD21 ASN 50 10.062 0.846 -8.363 331 HD22 ASN 50 HD22 ASN 50 10.940 -0.601 -8.710 332 H CYS 51 H CYS 51 11.557 4.329 -5.766 333 HA CYS 51 HA CYS 51 11.816 6.898 -6.964 334 HB2 CYS 51 HB2 CYS 51 10.606 5.939 -4.374 335 HB3 CYS 51 HB3 CYS 51 10.628 7.642 -4.822 336 H LEU 52 H LEU 52 13.388 5.264 -4.297 337 HA LEU 52 HA LEU 52 14.658 7.602 -3.247 338 HB2 LEU 52 HB2 LEU 52 14.800 4.679 -2.770 339 HB3 LEU 52 HB3 LEU 52 16.183 5.650 -2.271 340 HG LEU 52 HG LEU 52 13.343 6.074 -1.343 341 HD11 LEU 52 HD11 LEU 52 14.405 3.953 -0.560 342 HD12 LEU 52 HD12 LEU 52 13.991 5.085 0.727 343 HD13 LEU 52 HD13 LEU 52 15.665 4.929 0.194 344 HD21 LEU 52 HD21 LEU 52 15.308 7.220 0.355 345 HD22 LEU 52 HD22 LEU 52 14.042 8.030 -0.568 346 HD23 LEU 52 HD23 LEU 52 15.627 7.758 -1.294 347 H LYS 53 H LYS 53 15.954 4.760 -4.974 348 HA LYS 53 HA LYS 53 18.531 5.648 -5.370 349 HB2 LYS 53 HB2 LYS 53 17.255 3.414 -6.049 350 HB3 LYS 53 HB3 LYS 53 17.206 4.207 -7.618 351 HG2 LYS 53 HG2 LYS 53 19.226 3.370 -7.982 352 HG3 LYS 53 HG3 LYS 53 19.830 4.519 -6.786 353 HD2 LYS 53 HD2 LYS 53 18.880 1.711 -6.216 354 HD3 LYS 53 HD3 LYS 53 20.564 2.235 -6.291 355 HE2 LYS 53 HE2 LYS 53 20.480 2.830 -4.154 356 HE3 LYS 53 HE3 LYS 53 19.178 3.963 -4.513 357 HZ1 LYS 53 HZ1 LYS 53 17.814 2.673 -3.368 358 HZ2 LYS 53 HZ2 LYS 53 19.050 1.556 -3.076 359 HZ3 LYS 53 HZ3 LYS 53 18.079 1.402 -4.453 360 H SER 54 H SER 54 15.654 6.329 -7.308 361 HA SER 54 HA SER 54 17.077 7.823 -9.293 362 HB2 SER 54 HB2 SER 54 15.012 6.774 -9.939 363 HB3 SER 54 HB3 SER 54 14.130 7.594 -8.651 364 HG SER 54 HG SER 54 15.463 8.967 -10.740 365 H ALA 55 H ALA 55 15.592 8.535 -6.240 366 HA ALA 55 HA ALA 55 15.354 11.354 -6.613 367 HB1 ALA 55 HB1 ALA 55 15.352 11.200 -3.978 368 HB2 ALA 55 HB2 ALA 55 13.968 10.668 -4.934 369 HB3 ALA 55 HB3 ALA 55 15.120 9.484 -4.314 370 H ALA 56 H ALA 56 17.683 9.337 -4.821 371 HA ALA 56 HA ALA 56 19.374 11.472 -4.074 372 HB1 ALA 56 HB1 ALA 56 20.949 9.791 -3.404 373 HB2 ALA 56 HB2 ALA 56 19.327 9.240 -2.981 374 HB3 ALA 56 HB3 ALA 56 20.143 8.576 -4.397 375 H GLY 57 H GLY 57 18.872 9.955 -7.066 376 HA2 GLY 57 HA2 GLY 57 21.451 10.069 -8.196 377 HA3 GLY 57 HA3 GLY 57 19.940 10.088 -9.093 378 H SER 58 H SER 58 19.338 12.575 -7.295 379 HA SER 58 HA SER 58 20.502 14.466 -9.200 380 HB2 SER 58 HB2 SER 58 18.385 15.035 -7.120 381 HB3 SER 58 HB3 SER 58 18.781 15.994 -8.546 382 HG SER 58 HG SER 58 16.927 14.735 -8.906 383 H ILE 59 H ILE 59 21.494 13.190 -6.437 384 HA ILE 59 HA ILE 59 22.200 15.593 -4.989 385 HB ILE 59 HB ILE 59 23.098 12.750 -4.511 386 HG12 ILE 59 HG12 ILE 59 20.839 14.337 -3.273 387 HG13 ILE 59 HG13 ILE 59 20.668 12.950 -4.344 388 HG21 ILE 59 HG21 ILE 59 23.200 15.181 -2.731 389 HG22 ILE 59 HG22 ILE 59 23.664 13.545 -2.267 390 HG23 ILE 59 HG23 ILE 59 24.578 14.403 -3.508 391 HD11 ILE 59 HD11 ILE 59 21.719 11.527 -2.669 392 HD12 ILE 59 HD12 ILE 59 21.894 12.917 -1.597 393 HD13 ILE 59 HD13 ILE 59 20.287 12.334 -2.030 394 H THR 60 H THR 60 23.765 16.843 -5.769 395 HA THR 60 HA THR 60 25.795 15.950 -7.533 396 HB THR 60 HB THR 60 25.132 18.248 -7.653 397 HG1 THR 60 HG1 THR 60 27.288 19.246 -7.131 398 HG21 THR 60 HG21 THR 60 25.156 18.092 -4.814 399 HG22 THR 60 HG22 THR 60 24.577 19.408 -5.835 400 HG23 THR 60 HG23 THR 60 26.256 19.381 -5.300 401 H LYS 61 H LYS 61 27.703 15.043 -7.129 402 HA LYS 61 HA LYS 61 29.490 14.177 -6.020 403 HB2 LYS 61 HB2 LYS 61 29.046 16.770 -4.576 404 HB3 LYS 61 HB3 LYS 61 30.286 15.652 -4.023 405 HG2 LYS 61 HG2 LYS 61 30.953 15.735 -6.594 406 HG3 LYS 61 HG3 LYS 61 30.180 17.317 -6.466 407 HD2 LYS 61 HD2 LYS 61 31.727 18.088 -4.916 408 HD3 LYS 61 HD3 LYS 61 32.206 16.458 -4.437 409 HE2 LYS 61 HE2 LYS 61 32.695 17.342 -7.241 410 HE3 LYS 61 HE3 LYS 61 33.754 17.938 -5.964 411 HZ1 LYS 61 HZ1 LYS 61 34.869 16.051 -6.263 412 HZ2 LYS 61 HZ2 LYS 61 33.625 15.336 -7.158 413 HZ3 LYS 61 HZ3 LYS 61 33.594 15.274 -5.468 414 H LEU 62 H LEU 62 27.096 12.994 -5.382 415 HA LEU 62 HA LEU 62 26.326 12.831 -2.745 416 HB2 LEU 62 HB2 LEU 62 25.102 11.691 -4.453 417 HB3 LEU 62 HB3 LEU 62 26.488 10.673 -4.838 418 HG LEU 62 HG LEU 62 26.142 9.945 -2.294 419 HD11 LEU 62 HD11 LEU 62 23.990 11.600 -2.592 420 HD12 LEU 62 HD12 LEU 62 24.122 10.301 -1.407 421 HD13 LEU 62 HD13 LEU 62 23.293 10.017 -2.937 422 HD21 LEU 62 HD21 LEU 62 24.267 8.375 -3.618 423 HD22 LEU 62 HD22 LEU 62 25.999 8.071 -3.484 424 HD23 LEU 62 HD23 LEU 62 25.359 8.933 -4.885 425 H ASN 63 H ASN 63 27.024 11.798 -0.931 426 HA ASN 63 HA ASN 63 29.707 10.597 -1.076 427 HB2 ASN 63 HB2 ASN 63 29.086 12.725 0.378 428 HB3 ASN 63 HB3 ASN 63 28.524 11.501 1.513 429 HD21 ASN 63 HD21 ASN 63 30.958 13.441 1.090 430 HD22 ASN 63 HD22 ASN 63 32.288 12.465 1.605 431 H THR 64 H THR 64 29.460 8.450 -1.243 432 HA THR 64 HA THR 64 27.341 6.900 -0.372 433 HB THR 64 HB THR 64 29.025 4.985 -0.346 434 HG1 THR 64 HG1 THR 64 30.802 6.844 -1.519 435 HG21 THR 64 HG21 THR 64 29.572 5.998 -2.949 436 HG22 THR 64 HG22 THR 64 27.949 6.511 -2.487 437 HG23 THR 64 HG23 THR 64 28.372 4.799 -2.466 438 H ASN 65 H ASN 65 30.109 8.079 1.408 439 HA ASN 65 HA ASN 65 29.834 6.368 3.658 440 HB2 ASN 65 HB2 ASN 65 31.187 9.044 3.289 441 HB3 ASN 65 HB3 ASN 65 31.241 8.143 4.802 442 HD21 ASN 65 HD21 ASN 65 32.027 5.871 4.609 443 HD22 ASN 65 HD22 ASN 65 33.344 5.578 3.529 444 H ASN 66 H ASN 66 28.720 9.666 2.966 445 HA ASN 66 HA ASN 66 27.479 10.064 5.487 446 HB2 ASN 66 HB2 ASN 66 27.017 11.422 2.823 447 HB3 ASN 66 HB3 ASN 66 26.343 11.973 4.354 448 HD21 ASN 66 HD21 ASN 66 27.374 13.873 4.562 449 HD22 ASN 66 HD22 ASN 66 29.088 14.046 4.691 450 H ALA 67 H ALA 67 26.353 8.834 2.385 451 HA ALA 67 HA ALA 67 23.601 8.793 2.931 452 HB1 ALA 67 HB1 ALA 67 24.805 6.646 1.259 453 HB2 ALA 67 HB2 ALA 67 23.367 7.628 0.976 454 HB3 ALA 67 HB3 ALA 67 24.970 8.322 0.733 455 H ALA 68 H ALA 68 26.151 6.441 3.597 456 HA ALA 68 HA ALA 68 24.354 4.450 4.610 457 HB1 ALA 68 HB1 ALA 68 26.661 3.586 5.561 458 HB2 ALA 68 HB2 ALA 68 26.255 3.442 3.851 459 HB3 ALA 68 HB3 ALA 68 27.303 4.749 4.402 460 H ALA 69 H ALA 69 26.049 7.173 5.928 461 HA ALA 69 HA ALA 69 25.929 6.361 8.664 462 HB1 ALA 69 HB1 ALA 69 26.165 9.191 7.674 463 HB2 ALA 69 HB2 ALA 69 26.753 8.509 9.191 464 HB3 ALA 69 HB3 ALA 69 27.518 8.059 7.667 465 H LEU 70 H LEU 70 23.779 8.026 6.482 466 HA LEU 70 HA LEU 70 22.099 9.345 8.244 467 HB2 LEU 70 HB2 LEU 70 21.598 9.821 6.070 468 HB3 LEU 70 HB3 LEU 70 21.789 8.149 5.547 469 HG LEU 70 HG LEU 70 19.602 7.597 6.474 470 HD11 LEU 70 HD11 LEU 70 19.230 10.520 7.061 471 HD12 LEU 70 HD12 LEU 70 19.738 9.358 8.285 472 HD13 LEU 70 HD13 LEU 70 18.175 9.173 7.490 473 HD21 LEU 70 HD21 LEU 70 20.089 8.910 4.170 474 HD22 LEU 70 HD22 LEU 70 18.935 10.011 4.923 475 HD23 LEU 70 HD23 LEU 70 18.497 8.324 4.650 476 HA PRO 71 HA PRO 71 19.430 5.332 8.613 477 HB2 PRO 71 HB2 PRO 71 20.515 3.029 7.669 478 HB3 PRO 71 HB3 PRO 71 19.529 4.106 6.672 479 HG2 PRO 71 HG2 PRO 71 22.509 3.864 6.822 480 HG3 PRO 71 HG3 PRO 71 21.471 4.036 5.395 481 HD2 PRO 71 HD2 PRO 71 22.832 6.118 6.466 482 HD3 PRO 71 HD3 PRO 71 21.258 6.315 5.669 483 H GLY 72 H GLY 72 22.937 4.828 8.786 484 HA2 GLY 72 HA2 GLY 72 22.922 2.967 10.903 485 HA3 GLY 72 HA3 GLY 72 24.277 3.991 10.451 486 H LYS 73 H LYS 73 23.301 6.502 10.933 487 HA LYS 73 HA LYS 73 23.478 6.622 13.790 488 HB2 LYS 73 HB2 LYS 73 23.300 8.635 11.582 489 HB3 LYS 73 HB3 LYS 73 23.019 9.150 13.240 490 HG2 LYS 73 HG2 LYS 73 25.249 9.540 13.105 491 HG3 LYS 73 HG3 LYS 73 25.291 7.860 13.645 492 HD2 LYS 73 HD2 LYS 73 25.637 7.090 11.392 493 HD3 LYS 73 HD3 LYS 73 25.413 8.722 10.756 494 HE2 LYS 73 HE2 LYS 73 27.782 8.093 10.860 495 HE3 LYS 73 HE3 LYS 73 27.420 9.467 11.903 496 HZ1 LYS 73 HZ1 LYS 73 28.122 8.345 13.663 497 HZ2 LYS 73 HZ2 LYS 73 28.674 7.128 12.627 498 HZ3 LYS 73 HZ3 LYS 73 27.131 7.019 13.311 499 H CYS 74 H CYS 74 20.918 6.572 11.492 500 HA CYS 74 HA CYS 74 18.963 7.764 13.259 501 HB2 CYS 74 HB2 CYS 74 18.931 6.628 10.494 502 HB3 CYS 74 HB3 CYS 74 17.409 6.769 11.368 503 H GLY 75 H GLY 75 20.494 4.903 13.332 504 HA2 GLY 75 HA2 GLY 75 20.073 2.959 14.487 505 HA3 GLY 75 HA3 GLY 75 18.594 3.705 15.073 506 H VAL 76 H VAL 76 19.199 3.421 11.662 507 HA VAL 76 HA VAL 76 17.554 1.020 11.457 508 HB VAL 76 HB VAL 76 15.861 2.704 11.360 509 HG11 VAL 76 HG11 VAL 76 17.912 4.196 9.927 510 HG12 VAL 76 HG12 VAL 76 16.320 4.307 9.175 511 HG13 VAL 76 HG13 VAL 76 16.534 4.776 10.862 512 HG21 VAL 76 HG21 VAL 76 14.838 2.151 9.346 513 HG22 VAL 76 HG22 VAL 76 16.364 2.123 8.464 514 HG23 VAL 76 HG23 VAL 76 15.974 0.825 9.593 515 H ASN 77 H ASN 77 19.534 0.099 10.710 516 HA ASN 77 HA ASN 77 20.655 1.118 8.227 517 HB2 ASN 77 HB2 ASN 77 22.233 -0.866 8.535 518 HB3 ASN 77 HB3 ASN 77 22.309 0.398 9.760 519 HD21 ASN 77 HD21 ASN 77 22.579 -0.415 11.695 520 HD22 ASN 77 HD22 ASN 77 21.859 -1.861 12.308 521 H ILE 78 H ILE 78 20.622 0.053 6.269 522 HA ILE 78 HA ILE 78 18.667 -2.142 6.064 523 HB ILE 78 HB ILE 78 18.535 -1.409 3.619 524 HG12 ILE 78 HG12 ILE 78 20.643 0.119 4.084 525 HG13 ILE 78 HG13 ILE 78 19.405 0.609 2.933 526 HG21 ILE 78 HG21 ILE 78 17.063 0.611 4.295 527 HG22 ILE 78 HG22 ILE 78 16.636 -0.997 4.878 528 HG23 ILE 78 HG23 ILE 78 17.465 0.137 5.945 529 HD11 ILE 78 HD11 ILE 78 19.148 1.461 5.770 530 HD12 ILE 78 HD12 ILE 78 20.310 2.277 4.723 531 HD13 ILE 78 HD13 ILE 78 18.599 2.257 4.295 532 HA PRO 79 HA PRO 79 21.711 -4.859 4.444 533 HB2 PRO 79 HB2 PRO 79 20.268 -6.272 2.630 534 HB3 PRO 79 HB3 PRO 79 20.074 -6.470 4.376 535 HG2 PRO 79 HG2 PRO 79 18.413 -4.888 2.453 536 HG3 PRO 79 HG3 PRO 79 17.889 -5.937 3.784 537 HD2 PRO 79 HD2 PRO 79 17.972 -3.239 4.001 538 HD3 PRO 79 HD3 PRO 79 18.275 -4.318 5.378 539 H TYR 80 H TYR 80 20.159 -2.567 2.434 540 HA TYR 80 HA TYR 80 22.124 -3.050 0.292 541 HB2 TYR 80 HB2 TYR 80 20.562 -1.940 -1.237 542 HB3 TYR 80 HB3 TYR 80 19.806 -3.327 -0.462 543 HD1 TYR 80 HD2 TYR 80 18.202 -2.932 1.439 544 HD2 TYR 80 HD1 TYR 80 19.653 0.229 -1.013 545 HE1 TYR 80 HE2 TYR 80 16.346 -1.504 2.190 546 HE2 TYR 80 HE1 TYR 80 17.801 1.666 -0.267 547 HH TYR 80 HH TYR 80 15.094 0.497 1.324 548 H LYS 81 H LYS 81 23.036 -1.185 -0.749 549 HA LYS 81 HA LYS 81 23.594 0.938 1.140 550 HB2 LYS 81 HB2 LYS 81 24.732 0.077 -1.491 551 HB3 LYS 81 HB3 LYS 81 25.055 1.704 -0.907 552 HG2 LYS 81 HG2 LYS 81 25.731 0.412 1.289 553 HG3 LYS 81 HG3 LYS 81 25.979 -0.913 0.149 554 HD2 LYS 81 HD2 LYS 81 27.132 1.390 -1.005 555 HD3 LYS 81 HD3 LYS 81 27.653 1.346 0.682 556 HE2 LYS 81 HE2 LYS 81 28.478 -0.912 0.402 557 HE3 LYS 81 HE3 LYS 81 27.865 -0.961 -1.251 558 HZ1 LYS 81 HZ1 LYS 81 29.635 1.251 -0.705 559 HZ2 LYS 81 HZ2 LYS 81 29.615 0.178 -2.012 560 HZ3 LYS 81 HZ3 LYS 81 30.370 -0.266 -0.565 561 H ILE 82 H ILE 82 23.715 3.227 0.249 562 HA ILE 82 HA ILE 82 21.271 3.772 -1.306 563 HB ILE 82 HB ILE 82 22.553 5.716 0.599 564 HG12 ILE 82 HG12 ILE 82 21.996 3.744 1.906 565 HG13 ILE 82 HG13 ILE 82 20.837 5.023 2.253 566 HG21 ILE 82 HG21 ILE 82 20.297 6.713 0.588 567 HG22 ILE 82 HG22 ILE 82 21.033 6.679 -1.014 568 HG23 ILE 82 HG23 ILE 82 19.791 5.502 -0.589 569 HD11 ILE 82 HD11 ILE 82 19.191 3.965 0.851 570 HD12 ILE 82 HD12 ILE 82 20.355 2.731 0.366 571 HD13 ILE 82 HD13 ILE 82 19.797 2.809 2.037 572 H SER 83 H SER 83 21.826 4.249 -3.333 573 HA SER 83 HA SER 83 23.218 6.579 -4.003 574 HB2 SER 83 HB2 SER 83 25.182 5.365 -5.183 575 HB3 SER 83 HB3 SER 83 25.291 5.636 -3.444 576 HG SER 83 HG SER 83 24.893 3.529 -3.074 577 H THR 84 H THR 84 23.641 6.723 -6.391 578 HA THR 84 HA THR 84 21.386 5.643 -7.795 579 HB THR 84 HB THR 84 22.057 7.892 -8.324 580 HG1 THR 84 HG1 THR 84 21.724 7.616 -10.414 581 HG21 THR 84 HG21 THR 84 24.489 7.434 -9.774 582 HG22 THR 84 HG22 THR 84 24.672 6.867 -8.114 583 HG23 THR 84 HG23 THR 84 24.187 8.533 -8.429 584 H THR 85 H THR 85 24.355 4.382 -7.067 585 HA THR 85 HA THR 85 24.436 2.755 -9.523 586 HB THR 85 HB THR 85 26.776 2.304 -9.065 587 HG1 THR 85 HG1 THR 85 27.787 3.349 -7.270 588 HG21 THR 85 HG21 THR 85 25.840 4.617 -10.034 589 HG22 THR 85 HG22 THR 85 27.564 4.286 -9.860 590 HG23 THR 85 HG23 THR 85 26.720 5.236 -8.637 591 H THR 86 H THR 86 22.654 2.251 -7.317 592 HA THR 86 HA THR 86 23.739 -0.324 -6.374 593 HB THR 86 HB THR 86 21.848 1.546 -4.938 594 HG1 THR 86 HG1 THR 86 24.240 0.513 -3.876 595 HG21 THR 86 HG21 THR 86 20.964 -0.468 -4.284 596 HG22 THR 86 HG22 THR 86 22.270 -0.314 -3.108 597 HG23 THR 86 HG23 THR 86 22.479 -1.336 -4.530 598 H ASN 87 H ASN 87 22.418 -2.115 -6.470 599 HA ASN 87 HA ASN 87 19.899 -1.755 -7.955 600 HB2 ASN 87 HB2 ASN 87 21.718 -2.975 -9.167 601 HB3 ASN 87 HB3 ASN 87 21.661 -4.213 -7.915 602 HD21 ASN 87 HD21 ASN 87 21.280 -5.296 -10.161 603 HD22 ASN 87 HD22 ASN 87 19.619 -5.575 -10.548 604 H CYS 88 H CYS 88 18.346 -1.758 -6.428 605 HA CYS 88 HA CYS 88 18.437 -3.297 -4.049 606 HB2 CYS 88 HB2 CYS 88 16.422 -1.592 -5.421 607 HB3 CYS 88 HB3 CYS 88 15.827 -2.736 -4.223 608 H ASN 89 H ASN 89 17.760 -4.136 -7.243 609 HA ASN 89 HA ASN 89 15.827 -6.189 -6.750 610 HB2 ASN 89 HB2 ASN 89 17.648 -5.854 -9.143 611 HB3 ASN 89 HB3 ASN 89 16.173 -6.813 -9.071 612 HD21 ASN 89 HD21 ASN 89 17.138 -4.359 -10.612 613 HD22 ASN 89 HD22 ASN 89 15.815 -3.255 -10.481 614 H THR 90 H THR 90 19.304 -5.992 -6.791 615 HA THR 90 HA THR 90 19.576 -8.897 -6.639 616 HB THR 90 HB THR 90 22.081 -8.272 -6.512 617 HG1 THR 90 HG1 THR 90 22.481 -6.180 -7.464 618 HG21 THR 90 HG21 THR 90 20.262 -8.022 -8.864 619 HG22 THR 90 HG22 THR 90 21.484 -9.243 -8.512 620 HG23 THR 90 HG23 THR 90 21.971 -7.641 -9.063 621 H VAL 91 H VAL 91 18.279 -7.586 -4.465 622 HA VAL 91 HA VAL 91 20.259 -7.567 -2.315 623 HB VAL 91 HB VAL 91 17.309 -6.914 -2.254 624 HG11 VAL 91 HG11 VAL 91 19.407 -7.032 -0.135 625 HG12 VAL 91 HG12 VAL 91 18.122 -5.827 -0.019 626 HG13 VAL 91 HG13 VAL 91 17.720 -7.543 -0.079 627 HG21 VAL 91 HG21 VAL 91 18.811 -5.349 -3.527 628 HG22 VAL 91 HG22 VAL 91 17.942 -4.622 -2.176 629 HG23 VAL 91 HG23 VAL 91 19.649 -5.033 -2.008 630 H LYS 92 H LYS 92 20.668 -9.350 -1.206 631 HA LYS 92 HA LYS 92 18.679 -11.511 -1.201 632 HB2 LYS 92 HB2 LYS 92 21.660 -11.436 -0.975 633 HB3 LYS 92 HB3 LYS 92 20.786 -12.776 -0.245 634 HG2 LYS 92 HG2 LYS 92 19.825 -13.363 -2.383 635 HG3 LYS 92 HG3 LYS 92 20.589 -11.962 -3.138 636 HD2 LYS 92 HD2 LYS 92 22.089 -13.605 -3.695 637 HD3 LYS 92 HD3 LYS 92 22.782 -13.046 -2.171 638 HE2 LYS 92 HE2 LYS 92 22.694 -15.166 -1.490 639 HE3 LYS 92 HE3 LYS 92 20.944 -14.972 -1.408 640 HZ1 LYS 92 HZ1 LYS 92 21.643 -16.915 -2.717 641 HZ2 LYS 92 HZ2 LYS 92 22.423 -15.890 -3.813 642 HZ3 LYS 92 HZ3 LYS 92 20.743 -15.812 -3.632 643 H PHE 93 H PHE 93 17.448 -11.631 0.547 644 HA PHE 93 HA PHE 93 16.709 -11.462 2.694 645 HB2 PHE 93 HB2 PHE 93 19.487 -12.504 2.913 646 HB3 PHE 93 HB3 PHE 93 18.706 -11.970 4.398 647 HD1 PHE 93 HD1 PHE 93 16.541 -13.023 5.081 648 HD2 PHE 93 HD2 PHE 93 18.936 -14.556 1.914 649 HE1 PHE 93 HE1 PHE 93 15.361 -15.177 5.236 650 HE2 PHE 93 HE2 PHE 93 17.760 -16.711 2.063 651 HZ PHE 93 HZ PHE 93 15.969 -17.024 3.725 Start of MODEL 11 1 H1 ALA 1 H ALA 1 0.433 -0.730 -0.214 2 HA ALA 1 HA ALA 1 2.983 -0.829 -0.160 3 HB1 ALA 1 HB1 ALA 1 1.513 -0.446 -2.760 4 HB2 ALA 1 HB2 ALA 1 3.186 -0.996 -2.651 5 HB3 ALA 1 HB3 ALA 1 1.891 -1.965 -1.947 6 H ILE 2 H ILE 2 4.884 0.177 -1.053 7 HA ILE 2 HA ILE 2 4.854 3.026 -0.716 8 HB ILE 2 HB ILE 2 7.097 1.183 -1.549 9 HG12 ILE 2 HG12 ILE 2 7.803 1.911 0.889 10 HG13 ILE 2 HG13 ILE 2 6.074 2.183 1.078 11 HG21 ILE 2 HG21 ILE 2 6.931 4.115 -1.218 12 HG22 ILE 2 HG22 ILE 2 8.351 3.321 -0.539 13 HG23 ILE 2 HG23 ILE 2 7.978 3.146 -2.254 14 HD11 ILE 2 HD11 ILE 2 7.139 -0.417 0.049 15 HD12 ILE 2 HD12 ILE 2 7.019 -0.079 1.776 16 HD13 ILE 2 HD13 ILE 2 5.569 -0.068 0.773 17 H SER 3 H SER 3 4.386 4.444 -2.248 18 HA SER 3 HA SER 3 4.531 3.636 -5.053 19 HB2 SER 3 HB2 SER 3 2.434 4.618 -4.460 20 HB3 SER 3 HB3 SER 3 3.223 5.979 -3.663 21 HG SER 3 HG SER 3 2.889 6.878 -5.550 22 H CYS 4 H CYS 4 5.084 6.795 -3.520 23 HA CYS 4 HA CYS 4 7.831 6.962 -4.088 24 HB2 CYS 4 HB2 CYS 4 6.404 7.128 -6.410 25 HB3 CYS 4 HB3 CYS 4 6.525 8.825 -5.959 26 H GLY 5 H GLY 5 4.790 8.753 -3.846 27 HA2 GLY 5 HA2 GLY 5 5.772 11.228 -3.046 28 HA3 GLY 5 HA3 GLY 5 4.209 10.575 -2.578 29 H ALA 6 H ALA 6 5.212 8.321 -1.128 30 HA ALA 6 HA ALA 6 5.653 9.567 1.393 31 HB1 ALA 6 HB1 ALA 6 4.512 7.631 1.716 32 HB2 ALA 6 HB2 ALA 6 5.346 6.789 0.409 33 HB3 ALA 6 HB3 ALA 6 6.145 7.015 1.965 34 H VAL 7 H VAL 7 7.722 8.084 -1.001 35 HA VAL 7 HA VAL 7 10.017 7.863 0.695 36 HB VAL 7 HB VAL 7 9.934 7.912 -2.324 37 HG11 VAL 7 HG11 VAL 7 12.118 7.425 -2.319 38 HG12 VAL 7 HG12 VAL 7 12.108 8.019 -0.658 39 HG13 VAL 7 HG13 VAL 7 11.955 6.291 -0.979 40 HG21 VAL 7 HG21 VAL 7 9.794 5.505 -2.247 41 HG22 VAL 7 HG22 VAL 7 9.825 5.523 -0.484 42 HG23 VAL 7 HG23 VAL 7 8.441 6.193 -1.348 43 H THR 8 H THR 8 9.023 10.131 -1.855 44 HA THR 8 HA THR 8 11.304 11.782 -1.706 45 HB THR 8 HB THR 8 8.576 12.776 -2.506 46 HG1 THR 8 HG1 THR 8 8.580 11.289 -4.003 47 HG21 THR 8 HG21 THR 8 11.364 13.636 -2.853 48 HG22 THR 8 HG22 THR 8 9.874 14.579 -2.883 49 HG23 THR 8 HG23 THR 8 10.387 13.696 -4.320 50 H SER 9 H SER 9 8.504 11.514 0.285 51 HA SER 9 HA SER 9 8.433 14.109 1.376 52 HB2 SER 9 HB2 SER 9 6.785 12.042 1.596 53 HB3 SER 9 HB3 SER 9 7.710 11.756 3.070 54 HG SER 9 HG SER 9 6.217 13.120 3.777 55 H ASP 10 H ASP 10 10.023 11.140 2.515 56 HA ASP 10 HA ASP 10 11.272 12.458 4.733 57 HB2 ASP 10 HB2 ASP 10 12.276 9.854 3.659 58 HB3 ASP 10 HB3 ASP 10 12.092 10.378 5.330 59 H LEU 11 H LEU 11 12.026 11.995 1.410 60 HA LEU 11 HA LEU 11 14.853 12.229 1.589 61 HB2 LEU 11 HB2 LEU 11 12.833 12.454 -0.593 62 HB3 LEU 11 HB3 LEU 11 14.475 13.023 -0.885 63 HG LEU 11 HG LEU 11 14.101 10.266 0.177 64 HD11 LEU 11 HD11 LEU 11 12.499 10.151 -1.532 65 HD12 LEU 11 HD12 LEU 11 13.979 9.518 -2.252 66 HD13 LEU 11 HD13 LEU 11 13.455 11.162 -2.615 67 HD21 LEU 11 HD21 LEU 11 15.965 10.228 -1.814 68 HD22 LEU 11 HD22 LEU 11 16.314 10.473 -0.103 69 HD23 LEU 11 HD23 LEU 11 16.146 11.863 -1.177 70 H SER 12 H SER 12 12.218 14.525 1.341 71 HA SER 12 HA SER 12 13.589 16.814 0.583 72 HB2 SER 12 HB2 SER 12 11.334 17.221 0.656 73 HB3 SER 12 HB3 SER 12 11.101 16.269 2.122 74 HG SER 12 HG SER 12 11.062 18.781 2.087 75 HA PRO 13 HA PRO 13 14.459 17.746 5.245 76 HB2 PRO 13 HB2 PRO 13 14.009 15.740 7.018 77 HB3 PRO 13 HB3 PRO 13 12.772 16.920 6.568 78 HG2 PRO 13 HG2 PRO 13 13.177 14.128 5.569 79 HG3 PRO 13 HG3 PRO 13 11.670 14.949 6.016 80 HD2 PRO 13 HD2 PRO 13 12.461 14.655 3.443 81 HD3 PRO 13 HD3 PRO 13 11.530 16.059 4.001 82 H CYS 14 H CYS 14 15.096 14.600 3.884 83 HA CYS 14 HA CYS 14 17.529 14.199 5.392 84 HB2 CYS 14 HB2 CYS 14 16.123 12.686 3.209 85 HB3 CYS 14 HB3 CYS 14 17.774 12.276 3.664 86 H LEU 15 H LEU 15 16.603 15.786 2.515 87 HA LEU 15 HA LEU 15 18.917 15.542 0.958 88 HB2 LEU 15 HB2 LEU 15 16.663 17.453 1.132 89 HB3 LEU 15 HB3 LEU 15 18.109 18.000 0.286 90 HG LEU 15 HG LEU 15 16.444 15.582 -0.411 91 HD11 LEU 15 HD11 LEU 15 15.515 16.791 -2.122 92 HD12 LEU 15 HD12 LEU 15 16.855 17.936 -2.190 93 HD13 LEU 15 HD13 LEU 15 15.670 18.042 -0.888 94 HD21 LEU 15 HD21 LEU 15 17.927 15.678 -2.492 95 HD22 LEU 15 HD22 LEU 15 18.632 15.016 -1.017 96 HD23 LEU 15 HD23 LEU 15 19.017 16.664 -1.516 97 H THR 16 H THR 16 18.011 18.089 3.278 98 HA THR 16 HA THR 16 20.250 19.683 3.106 99 HB THR 16 HB THR 16 18.918 19.072 5.742 100 HG1 THR 16 HG1 THR 16 17.180 19.533 4.526 101 HG21 THR 16 HG21 THR 16 20.056 20.839 6.482 102 HG22 THR 16 HG22 THR 16 19.415 21.840 5.179 103 HG23 THR 16 HG23 THR 16 20.893 20.910 4.932 104 H TYR 17 H TYR 17 19.870 16.606 4.727 105 HA TYR 17 HA TYR 17 22.435 16.797 6.057 106 HB2 TYR 17 HB2 TYR 17 20.438 15.617 7.045 107 HB3 TYR 17 HB3 TYR 17 20.645 14.374 5.816 108 HD1 TYR 17 HD1 TYR 17 23.271 16.166 7.749 109 HD2 TYR 17 HD2 TYR 17 21.254 12.485 7.053 110 HE1 TYR 17 HE1 TYR 17 24.890 15.012 9.197 111 HE2 TYR 17 HE2 TYR 17 22.867 11.321 8.500 112 HH TYR 17 HH TYR 17 25.467 13.091 10.149 113 H LEU 18 H LEU 18 21.015 15.106 3.305 114 HA LEU 18 HA LEU 18 23.340 13.556 2.726 115 HB2 LEU 18 HB2 LEU 18 20.902 14.257 1.108 116 HB3 LEU 18 HB3 LEU 18 22.186 13.206 0.513 117 HG LEU 18 HG LEU 18 20.448 12.660 2.920 118 HD11 LEU 18 HD11 LEU 18 19.313 12.551 0.687 119 HD12 LEU 18 HD12 LEU 18 19.328 11.038 1.592 120 HD13 LEU 18 HD13 LEU 18 20.445 11.272 0.249 121 HD21 LEU 18 HD21 LEU 18 22.977 11.622 2.154 122 HD22 LEU 18 HD22 LEU 18 21.768 10.361 1.907 123 HD23 LEU 18 HD23 LEU 18 21.939 11.122 3.490 124 H THR 19 H THR 19 22.677 16.809 2.394 125 HA THR 19 HA THR 19 24.322 17.169 0.008 126 HB THR 19 HB THR 19 23.795 19.669 0.553 127 HG1 THR 19 HG1 THR 19 22.837 19.551 2.522 128 HG21 THR 19 HG21 THR 19 22.432 19.436 -1.196 129 HG22 THR 19 HG22 THR 19 21.239 18.592 -0.208 130 HG23 THR 19 HG23 THR 19 22.535 17.688 -0.989 131 H GLY 20 H GLY 20 24.653 17.088 3.377 132 HA2 GLY 20 HA2 GLY 20 26.936 17.071 4.236 133 HA3 GLY 20 HA3 GLY 20 27.284 18.410 3.151 134 H GLY 21 H GLY 21 24.249 18.493 4.756 135 HA2 GLY 21 HA2 GLY 21 25.189 20.768 6.340 136 HA3 GLY 21 HA3 GLY 21 23.513 20.368 5.994 137 HA PRO 22 HA PRO 22 24.458 19.145 10.373 138 HB2 PRO 22 HB2 PRO 22 22.244 20.309 11.429 139 HB3 PRO 22 HB3 PRO 22 23.763 21.179 11.183 140 HG2 PRO 22 HG2 PRO 22 21.295 21.158 9.489 141 HG3 PRO 22 HG3 PRO 22 22.318 22.528 9.957 142 HD2 PRO 22 HD2 PRO 22 22.492 21.345 7.528 143 HD3 PRO 22 HD3 PRO 22 23.896 22.065 8.342 144 H GLY 23 H GLY 23 23.680 17.322 11.301 145 HA2 GLY 23 HA2 GLY 23 21.114 16.390 11.467 146 HA3 GLY 23 HA3 GLY 23 21.673 15.821 9.901 147 HA PRO 24 HA PRO 24 20.753 13.966 9.833 148 HB2 PRO 24 HB2 PRO 24 19.464 11.875 10.988 149 HB3 PRO 24 HB3 PRO 24 20.861 11.673 9.925 150 HG2 PRO 24 HG2 PRO 24 20.738 11.657 12.916 151 HG3 PRO 24 HG3 PRO 24 21.638 10.585 11.828 152 HD2 PRO 24 HD2 PRO 24 22.805 12.653 13.129 153 HD3 PRO 24 HD3 PRO 24 23.337 12.112 11.524 154 H SER 25 H SER 25 18.976 15.183 9.921 155 HA SER 25 HA SER 25 18.090 16.406 12.302 156 HB2 SER 25 HB2 SER 25 16.009 16.870 10.684 157 HB3 SER 25 HB3 SER 25 17.543 17.720 10.506 158 HG SER 25 HG SER 25 16.319 16.065 8.782 159 HA PRO 26 HA PRO 26 15.094 13.684 13.992 160 HB2 PRO 26 HB2 PRO 26 13.059 15.351 14.662 161 HB3 PRO 26 HB3 PRO 26 14.598 15.316 15.531 162 HG2 PRO 26 HG2 PRO 26 13.662 17.213 13.412 163 HG3 PRO 26 HG3 PRO 26 14.528 17.559 14.920 164 HD2 PRO 26 HD2 PRO 26 15.772 17.448 12.517 165 HD3 PRO 26 HD3 PRO 26 16.570 16.969 14.029 166 H GLN 27 H GLN 27 13.811 15.931 11.574 167 HA GLN 27 HA GLN 27 11.448 14.423 11.055 168 HB2 GLN 27 HB2 GLN 27 12.841 16.695 9.679 169 HB3 GLN 27 HB3 GLN 27 11.497 15.875 8.895 170 HG2 GLN 27 HG2 GLN 27 9.966 16.592 10.476 171 HG3 GLN 27 HG3 GLN 27 11.213 16.923 11.678 172 HE21 GLN 27 HE21 GLN 27 12.796 18.660 11.001 173 HE22 GLN 27 HE22 GLN 27 12.125 20.063 10.249 174 H CYS 28 H CYS 28 14.673 14.531 9.663 175 HA CYS 28 HA CYS 28 14.149 12.995 7.360 176 HB2 CYS 28 HB2 CYS 28 16.181 14.238 7.440 177 HB3 CYS 28 HB3 CYS 28 16.669 13.473 8.949 178 H CYS 29 H CYS 29 15.576 12.024 10.481 179 HA CYS 29 HA CYS 29 15.784 9.303 9.980 180 HB2 CYS 29 HB2 CYS 29 15.624 10.993 12.412 181 HB3 CYS 29 HB3 CYS 29 15.289 9.278 12.628 182 H GLY 30 H GLY 30 13.068 11.103 11.404 183 HA2 GLY 30 HA2 GLY 30 11.372 9.020 12.023 184 HA3 GLY 30 HA3 GLY 30 10.826 10.603 11.490 185 H GLY 31 H GLY 31 11.610 10.704 8.891 186 HA2 GLY 31 HA2 GLY 31 9.647 9.073 7.630 187 HA3 GLY 31 HA3 GLY 31 10.783 10.141 6.819 188 H VAL 32 H VAL 32 13.171 8.935 7.803 189 HA VAL 32 HA VAL 32 13.640 7.010 5.848 190 HB VAL 32 HB VAL 32 15.122 7.454 8.442 191 HG11 VAL 32 HG11 VAL 32 17.003 6.319 7.335 192 HG12 VAL 32 HG12 VAL 32 15.619 5.249 7.561 193 HG13 VAL 32 HG13 VAL 32 15.953 5.937 5.971 194 HG21 VAL 32 HG21 VAL 32 16.239 8.318 5.852 195 HG22 VAL 32 HG22 VAL 32 14.839 9.222 6.432 196 HG23 VAL 32 HG23 VAL 32 16.289 9.105 7.430 197 H LYS 33 H LYS 33 13.230 6.502 9.355 198 HA LYS 33 HA LYS 33 13.281 3.705 9.284 199 HB2 LYS 33 HB2 LYS 33 12.167 5.714 11.213 200 HB3 LYS 33 HB3 LYS 33 11.869 3.998 11.461 201 HG2 LYS 33 HG2 LYS 33 14.229 3.556 11.598 202 HG3 LYS 33 HG3 LYS 33 14.602 5.232 11.191 203 HD2 LYS 33 HD2 LYS 33 14.083 5.994 13.270 204 HD3 LYS 33 HD3 LYS 33 12.830 4.776 13.522 205 HE2 LYS 33 HE2 LYS 33 15.193 3.324 13.369 206 HE3 LYS 33 HE3 LYS 33 15.621 4.758 14.300 207 HZ1 LYS 33 HZ1 LYS 33 13.406 2.873 14.900 208 HZ2 LYS 33 HZ2 LYS 33 13.733 4.287 15.768 209 HZ3 LYS 33 HZ3 LYS 33 14.856 3.022 15.760 210 H LYS 34 H LYS 34 10.818 5.942 8.399 211 HA LYS 34 HA LYS 34 8.604 4.145 8.662 212 HB2 LYS 34 HB2 LYS 34 8.514 6.696 8.633 213 HB3 LYS 34 HB3 LYS 34 8.719 6.582 6.890 214 HG2 LYS 34 HG2 LYS 34 6.474 6.605 6.900 215 HG3 LYS 34 HG3 LYS 34 6.664 4.881 7.228 216 HD2 LYS 34 HD2 LYS 34 5.867 5.075 9.318 217 HD3 LYS 34 HD3 LYS 34 6.763 6.566 9.620 218 HE2 LYS 34 HE2 LYS 34 5.078 7.795 8.288 219 HE3 LYS 34 HE3 LYS 34 4.164 6.298 8.112 220 HZ1 LYS 34 HZ1 LYS 34 4.412 8.057 10.404 221 HZ2 LYS 34 HZ2 LYS 34 4.461 6.403 10.757 222 HZ3 LYS 34 HZ3 LYS 34 3.130 7.054 9.940 223 H LEU 35 H LEU 35 10.781 5.094 6.059 224 HA LEU 35 HA LEU 35 9.400 3.804 3.960 225 HB2 LEU 35 HB2 LEU 35 11.216 5.545 3.764 226 HB3 LEU 35 HB3 LEU 35 12.371 4.261 4.117 227 HG LEU 35 HG LEU 35 10.477 4.036 1.802 228 HD11 LEU 35 HD11 LEU 35 11.420 5.956 1.055 229 HD12 LEU 35 HD12 LEU 35 12.702 4.843 0.579 230 HD13 LEU 35 HD13 LEU 35 12.855 5.779 2.066 231 HD21 LEU 35 HD21 LEU 35 13.129 2.829 2.550 232 HD22 LEU 35 HD22 LEU 35 12.440 2.702 0.932 233 HD23 LEU 35 HD23 LEU 35 11.585 2.011 2.311 234 H LEU 36 H LEU 36 12.182 2.773 5.927 235 HA LEU 36 HA LEU 36 12.397 0.208 4.750 236 HB2 LEU 36 HB2 LEU 36 13.473 1.542 7.177 237 HB3 LEU 36 HB3 LEU 36 13.550 -0.217 7.100 238 HG LEU 36 HG LEU 36 14.590 1.266 4.757 239 HD11 LEU 36 HD11 LEU 36 16.558 2.002 5.731 240 HD12 LEU 36 HD12 LEU 36 16.336 1.013 7.173 241 HD13 LEU 36 HD13 LEU 36 15.343 2.450 6.928 242 HD21 LEU 36 HD21 LEU 36 15.064 -0.902 4.411 243 HD22 LEU 36 HD22 LEU 36 14.944 -1.309 6.123 244 HD23 LEU 36 HD23 LEU 36 16.426 -0.592 5.488 245 H ALA 37 H ALA 37 10.530 1.482 7.422 246 HA ALA 37 HA ALA 37 9.742 -1.070 8.454 247 HB1 ALA 37 HB1 ALA 37 8.012 0.328 9.680 248 HB2 ALA 37 HB2 ALA 37 9.706 0.705 9.999 249 HB3 ALA 37 HB3 ALA 37 8.762 1.733 8.920 250 H ALA 38 H ALA 38 8.387 1.251 6.182 251 HA ALA 38 HA ALA 38 5.862 -0.077 5.940 252 HB1 ALA 38 HB1 ALA 38 7.188 2.007 4.213 253 HB2 ALA 38 HB2 ALA 38 5.534 1.432 3.999 254 HB3 ALA 38 HB3 ALA 38 5.989 2.278 5.478 255 H ALA 39 H ALA 39 8.951 -0.765 4.804 256 HA ALA 39 HA ALA 39 7.842 -2.517 2.709 257 HB1 ALA 39 HB1 ALA 39 9.327 -0.462 2.035 258 HB2 ALA 39 HB2 ALA 39 10.647 -1.532 2.510 259 HB3 ALA 39 HB3 ALA 39 9.529 -2.022 1.237 260 H ASN 40 H ASN 40 7.691 -4.165 4.339 261 HA ASN 40 HA ASN 40 10.147 -5.113 5.556 262 HB2 ASN 40 HB2 ASN 40 7.918 -5.107 6.744 263 HB3 ASN 40 HB3 ASN 40 7.414 -6.399 5.658 264 HD21 ASN 40 HD21 ASN 40 7.258 -7.031 8.175 265 HD22 ASN 40 HD22 ASN 40 8.557 -8.050 8.685 266 H THR 41 H THR 41 8.079 -5.885 2.870 267 HA THR 41 HA THR 41 9.426 -8.432 2.406 268 HB THR 41 HB THR 41 7.813 -8.838 0.673 269 HG1 THR 41 HG1 THR 41 6.338 -7.224 0.044 270 HG21 THR 41 HG21 THR 41 7.128 -9.005 3.127 271 HG22 THR 41 HG22 THR 41 5.826 -8.938 1.939 272 HG23 THR 41 HG23 THR 41 6.248 -7.499 2.867 273 H THR 42 H THR 42 9.532 -8.673 -0.261 274 HA THR 42 HA THR 42 11.767 -6.981 -0.945 275 HB THR 42 HB THR 42 10.549 -9.444 -2.072 276 HG1 THR 42 HG1 THR 42 12.777 -10.013 -2.105 277 HG21 THR 42 HG21 THR 42 11.999 -9.145 -4.131 278 HG22 THR 42 HG22 THR 42 12.083 -7.434 -3.710 279 HG23 THR 42 HG23 THR 42 10.526 -8.177 -4.076 280 HA PRO 43 HA PRO 43 8.505 -6.039 -4.602 281 HB2 PRO 43 HB2 PRO 43 6.167 -6.130 -2.751 282 HB3 PRO 43 HB3 PRO 43 6.263 -6.552 -4.465 283 HG2 PRO 43 HG2 PRO 43 6.183 -8.439 -2.564 284 HG3 PRO 43 HG3 PRO 43 7.146 -8.643 -4.039 285 HD2 PRO 43 HD2 PRO 43 8.018 -8.090 -1.271 286 HD3 PRO 43 HD3 PRO 43 8.860 -8.941 -2.582 287 H ASP 44 H ASP 44 7.620 -5.112 -1.270 288 HA ASP 44 HA ASP 44 7.018 -2.426 -1.890 289 HB2 ASP 44 HB2 ASP 44 7.484 -3.988 0.599 290 HB3 ASP 44 HB3 ASP 44 7.605 -2.234 0.712 291 H ARG 45 H ARG 45 9.953 -3.968 -0.629 292 HA ARG 45 HA ARG 45 11.450 -1.607 -0.297 293 HB2 ARG 45 HB2 ARG 45 12.100 -4.512 -0.525 294 HB3 ARG 45 HB3 ARG 45 13.410 -3.348 -0.667 295 HG2 ARG 45 HG2 ARG 45 12.245 -2.412 1.550 296 HG3 ARG 45 HG3 ARG 45 11.797 -4.114 1.681 297 HD2 ARG 45 HD2 ARG 45 14.227 -4.662 1.296 298 HD3 ARG 45 HD3 ARG 45 14.562 -2.941 1.477 299 HE ARG 45 HE ARG 45 14.330 -3.182 3.735 300 HH11 ARG 45 HH11 ARG 45 12.839 -5.904 2.156 301 HH12 ARG 45 HH12 ARG 45 12.525 -6.754 3.633 302 HH21 ARG 45 HH21 ARG 45 13.921 -4.292 5.685 303 HH22 ARG 45 HH22 ARG 45 13.139 -5.836 5.640 304 H GLN 46 H GLN 46 10.695 -3.518 -3.088 305 HA GLN 46 HA GLN 46 12.802 -2.599 -4.759 306 HB2 GLN 46 HB2 GLN 46 10.252 -4.075 -5.144 307 HB3 GLN 46 HB3 GLN 46 10.944 -3.288 -6.555 308 HG2 GLN 46 HG2 GLN 46 13.062 -4.497 -6.134 309 HG3 GLN 46 HG3 GLN 46 12.267 -5.354 -4.814 310 HE21 GLN 46 HE21 GLN 46 12.754 -7.299 -5.949 311 HE22 GLN 46 HE22 GLN 46 11.767 -7.811 -7.271 312 H ALA 47 H ALA 47 9.373 -1.675 -4.500 313 HA ALA 47 HA ALA 47 9.362 0.340 -6.416 314 HB1 ALA 47 HB1 ALA 47 7.696 -0.320 -4.057 315 HB2 ALA 47 HB2 ALA 47 7.531 1.299 -4.738 316 HB3 ALA 47 HB3 ALA 47 7.241 -0.116 -5.749 317 H ALA 48 H ALA 48 9.667 0.766 -2.882 318 HA ALA 48 HA ALA 48 10.191 3.474 -2.842 319 HB1 ALA 48 HB1 ALA 48 9.794 1.987 -0.864 320 HB2 ALA 48 HB2 ALA 48 11.481 1.483 -0.987 321 HB3 ALA 48 HB3 ALA 48 11.086 3.170 -0.657 322 H CYS 49 H CYS 49 12.607 0.848 -2.885 323 HA CYS 49 HA CYS 49 14.915 2.320 -2.959 324 HB2 CYS 49 HB2 CYS 49 14.130 -0.328 -4.081 325 HB3 CYS 49 HB3 CYS 49 15.671 0.355 -4.590 326 H ASN 50 H ASN 50 12.899 1.396 -5.736 327 HA ASN 50 HA ASN 50 14.456 2.502 -7.757 328 HB2 ASN 50 HB2 ASN 50 11.436 2.331 -7.643 329 HB3 ASN 50 HB3 ASN 50 12.402 2.543 -9.100 330 HD21 ASN 50 HD21 ASN 50 10.527 0.427 -8.358 331 HD22 ASN 50 HD22 ASN 50 11.419 -1.050 -8.454 332 H CYS 51 H CYS 51 12.030 4.001 -5.678 333 HA CYS 51 HA CYS 51 12.110 6.530 -7.019 334 HB2 CYS 51 HB2 CYS 51 10.912 5.540 -4.448 335 HB3 CYS 51 HB3 CYS 51 10.950 7.263 -4.809 336 H LEU 52 H LEU 52 13.834 5.047 -4.377 337 HA LEU 52 HA LEU 52 14.954 7.460 -3.340 338 HB2 LEU 52 HB2 LEU 52 15.350 4.552 -2.921 339 HB3 LEU 52 HB3 LEU 52 16.667 5.624 -2.451 340 HG LEU 52 HG LEU 52 13.837 5.809 -1.422 341 HD11 LEU 52 HD11 LEU 52 14.719 4.905 0.651 342 HD12 LEU 52 HD12 LEU 52 16.313 4.730 -0.082 343 HD13 LEU 52 HD13 LEU 52 14.961 3.765 -0.673 344 HD21 LEU 52 HD21 LEU 52 14.586 7.922 -1.067 345 HD22 LEU 52 HD22 LEU 52 16.284 7.445 -1.088 346 HD23 LEU 52 HD23 LEU 52 15.303 7.154 0.350 347 H LYS 53 H LYS 53 16.361 4.783 -5.232 348 HA LYS 53 HA LYS 53 18.870 5.833 -5.671 349 HB2 LYS 53 HB2 LYS 53 17.702 3.570 -6.423 350 HB3 LYS 53 HB3 LYS 53 17.523 4.441 -7.940 351 HG2 LYS 53 HG2 LYS 53 19.772 4.475 -8.350 352 HG3 LYS 53 HG3 LYS 53 20.196 4.390 -6.639 353 HD2 LYS 53 HD2 LYS 53 20.750 2.306 -7.778 354 HD3 LYS 53 HD3 LYS 53 19.478 2.049 -6.581 355 HE2 LYS 53 HE2 LYS 53 18.439 2.730 -9.214 356 HE3 LYS 53 HE3 LYS 53 19.414 1.261 -9.223 357 HZ1 LYS 53 HZ1 LYS 53 17.226 1.721 -7.279 358 HZ2 LYS 53 HZ2 LYS 53 18.020 0.268 -7.623 359 HZ3 LYS 53 HZ3 LYS 53 16.981 0.955 -8.768 360 H SER 54 H SER 54 15.900 6.423 -7.508 361 HA SER 54 HA SER 54 17.174 8.128 -9.421 362 HB2 SER 54 HB2 SER 54 15.162 6.942 -10.061 363 HB3 SER 54 HB3 SER 54 14.254 7.696 -8.751 364 HG SER 54 HG SER 54 14.238 9.579 -9.819 365 H ALA 55 H ALA 55 15.751 8.551 -6.296 366 HA ALA 55 HA ALA 55 15.294 11.366 -6.508 367 HB1 ALA 55 HB1 ALA 55 15.266 9.377 -4.285 368 HB2 ALA 55 HB2 ALA 55 15.289 11.100 -3.907 369 HB3 ALA 55 HB3 ALA 55 13.977 10.427 -4.874 370 H ALA 56 H ALA 56 17.767 9.416 -4.835 371 HA ALA 56 HA ALA 56 19.325 11.616 -3.998 372 HB1 ALA 56 HB1 ALA 56 20.246 8.783 -4.459 373 HB2 ALA 56 HB2 ALA 56 21.024 9.999 -3.444 374 HB3 ALA 56 HB3 ALA 56 19.443 9.357 -2.997 375 H GLY 57 H GLY 57 18.896 10.212 -7.056 376 HA2 GLY 57 HA2 GLY 57 21.434 10.507 -8.214 377 HA3 GLY 57 HA3 GLY 57 19.909 10.552 -9.086 378 H SER 58 H SER 58 19.224 12.888 -7.160 379 HA SER 58 HA SER 58 20.304 14.936 -8.933 380 HB2 SER 58 HB2 SER 58 18.644 16.418 -7.732 381 HB3 SER 58 HB3 SER 58 17.933 15.068 -8.616 382 HG SER 58 HG SER 58 17.506 15.633 -6.142 383 H ILE 59 H ILE 59 21.312 13.504 -6.195 384 HA ILE 59 HA ILE 59 22.114 15.861 -4.719 385 HB ILE 59 HB ILE 59 22.961 13.001 -4.256 386 HG12 ILE 59 HG12 ILE 59 20.636 14.539 -3.077 387 HG13 ILE 59 HG13 ILE 59 20.518 13.185 -4.196 388 HG21 ILE 59 HG21 ILE 59 23.402 13.782 -1.969 389 HG22 ILE 59 HG22 ILE 59 24.381 14.636 -3.161 390 HG23 ILE 59 HG23 ILE 59 22.968 15.421 -2.456 391 HD11 ILE 59 HD11 ILE 59 20.051 12.478 -1.932 392 HD12 ILE 59 HD12 ILE 59 21.536 11.726 -2.516 393 HD13 ILE 59 HD13 ILE 59 21.617 13.087 -1.397 394 H THR 60 H THR 60 23.737 17.051 -5.469 395 HA THR 60 HA THR 60 25.766 16.004 -7.196 396 HB THR 60 HB THR 60 25.088 18.287 -7.521 397 HG1 THR 60 HG1 THR 60 27.118 19.184 -7.618 398 HG21 THR 60 HG21 THR 60 26.250 19.568 -5.236 399 HG22 THR 60 HG22 THR 60 25.053 18.386 -4.704 400 HG23 THR 60 HG23 THR 60 24.594 19.657 -5.836 401 H LYS 61 H LYS 61 27.667 15.146 -6.669 402 HA LYS 61 HA LYS 61 29.397 14.345 -5.425 403 HB2 LYS 61 HB2 LYS 61 29.021 17.115 -4.334 404 HB3 LYS 61 HB3 LYS 61 30.225 16.044 -3.629 405 HG2 LYS 61 HG2 LYS 61 30.839 15.793 -6.239 406 HG3 LYS 61 HG3 LYS 61 30.214 17.444 -6.216 407 HD2 LYS 61 HD2 LYS 61 32.123 16.668 -4.080 408 HD3 LYS 61 HD3 LYS 61 32.766 16.878 -5.710 409 HE2 LYS 61 HE2 LYS 61 30.993 19.037 -5.122 410 HE3 LYS 61 HE3 LYS 61 32.143 18.866 -3.797 411 HZ1 LYS 61 HZ1 LYS 61 32.991 18.945 -6.633 412 HZ2 LYS 61 HZ2 LYS 61 33.947 19.149 -5.253 413 HZ3 LYS 61 HZ3 LYS 61 32.836 20.345 -5.695 414 H LEU 62 H LEU 62 27.068 13.220 -4.672 415 HA LEU 62 HA LEU 62 26.200 13.443 -2.064 416 HB2 LEU 62 HB2 LEU 62 25.054 12.046 -3.637 417 HB3 LEU 62 HB3 LEU 62 26.461 10.998 -3.803 418 HG LEU 62 HG LEU 62 26.017 10.658 -1.197 419 HD11 LEU 62 HD11 LEU 62 23.531 11.812 -2.286 420 HD12 LEU 62 HD12 LEU 62 24.156 11.805 -0.638 421 HD13 LEU 62 HD13 LEU 62 23.350 10.374 -1.280 422 HD21 LEU 62 HD21 LEU 62 24.208 8.879 -2.288 423 HD22 LEU 62 HD22 LEU 62 25.949 8.637 -2.134 424 HD23 LEU 62 HD23 LEU 62 25.275 9.270 -3.637 425 H ASN 63 H ASN 63 26.848 12.691 -0.098 426 HA ASN 63 HA ASN 63 29.576 11.609 0.031 427 HB2 ASN 63 HB2 ASN 63 28.723 13.807 1.243 428 HB3 ASN 63 HB3 ASN 63 28.166 12.651 2.449 429 HD21 ASN 63 HD21 ASN 63 30.478 14.718 2.038 430 HD22 ASN 63 HD22 ASN 63 31.836 13.884 2.705 431 H THR 64 H THR 64 29.414 9.436 -0.019 432 HA THR 64 HA THR 64 27.346 7.856 0.931 433 HB THR 64 HB THR 64 29.140 6.035 1.130 434 HG1 THR 64 HG1 THR 64 30.752 8.020 -0.122 435 HG21 THR 64 HG21 THR 64 27.955 7.299 -1.123 436 HG22 THR 64 HG22 THR 64 28.479 5.623 -0.956 437 HG23 THR 64 HG23 THR 64 29.601 6.842 -1.559 438 H ASN 65 H ASN 65 30.072 9.238 2.645 439 HA ASN 65 HA ASN 65 29.876 7.696 4.999 440 HB2 ASN 65 HB2 ASN 65 30.965 10.478 4.533 441 HB3 ASN 65 HB3 ASN 65 31.137 9.598 6.049 442 HD21 ASN 65 HD21 ASN 65 32.855 10.499 3.564 443 HD22 ASN 65 HD22 ASN 65 33.900 9.140 3.346 444 H ASN 66 H ASN 66 28.530 10.871 4.138 445 HA ASN 66 HA ASN 66 27.171 11.217 6.618 446 HB2 ASN 66 HB2 ASN 66 26.729 12.564 3.943 447 HB3 ASN 66 HB3 ASN 66 26.035 13.093 5.473 448 HD21 ASN 66 HD21 ASN 66 27.424 14.909 4.170 449 HD22 ASN 66 HD22 ASN 66 28.972 15.175 4.890 450 H ALA 67 H ALA 67 26.221 10.041 3.424 451 HA ALA 67 HA ALA 67 23.459 9.798 3.955 452 HB1 ALA 67 HB1 ALA 67 23.651 8.042 2.044 453 HB2 ALA 67 HB2 ALA 67 23.955 9.746 1.702 454 HB3 ALA 67 HB3 ALA 67 25.308 8.635 1.916 455 H ALA 68 H ALA 68 26.164 7.545 4.312 456 HA ALA 68 HA ALA 68 24.503 5.362 5.152 457 HB1 ALA 68 HB1 ALA 68 26.734 4.342 5.796 458 HB2 ALA 68 HB2 ALA 68 26.517 4.753 4.094 459 HB3 ALA 68 HB3 ALA 68 27.476 5.801 5.140 460 H ALA 69 H ALA 69 25.924 8.082 6.685 461 HA ALA 69 HA ALA 69 26.062 6.973 9.325 462 HB1 ALA 69 HB1 ALA 69 26.342 9.378 10.002 463 HB2 ALA 69 HB2 ALA 69 27.527 8.777 8.843 464 HB3 ALA 69 HB3 ALA 69 26.198 9.798 8.295 465 H LEU 70 H LEU 70 23.709 8.835 7.487 466 HA LEU 70 HA LEU 70 21.985 9.684 9.446 467 HB2 LEU 70 HB2 LEU 70 21.329 10.406 7.391 468 HB3 LEU 70 HB3 LEU 70 21.673 8.860 6.618 469 HG LEU 70 HG LEU 70 19.594 7.943 7.536 470 HD11 LEU 70 HD11 LEU 70 19.529 9.376 9.557 471 HD12 LEU 70 HD12 LEU 70 18.000 9.327 8.681 472 HD13 LEU 70 HD13 LEU 70 19.054 10.734 8.537 473 HD21 LEU 70 HD21 LEU 70 19.323 8.759 5.373 474 HD22 LEU 70 HD22 LEU 70 19.498 10.440 5.880 475 HD23 LEU 70 HD23 LEU 70 18.027 9.548 6.273 476 HA PRO 71 HA PRO 71 19.697 5.424 9.336 477 HB2 PRO 71 HB2 PRO 71 20.962 3.375 8.083 478 HB3 PRO 71 HB3 PRO 71 19.850 4.469 7.252 479 HG2 PRO 71 HG2 PRO 71 22.843 4.498 7.315 480 HG3 PRO 71 HG3 PRO 71 21.750 4.749 5.941 481 HD2 PRO 71 HD2 PRO 71 22.944 6.799 7.247 482 HD3 PRO 71 HD3 PRO 71 21.334 6.943 6.511 483 H GLY 72 H GLY 72 23.224 4.867 9.179 484 HA2 GLY 72 HA2 GLY 72 23.371 2.914 11.166 485 HA3 GLY 72 HA3 GLY 72 24.685 3.989 10.715 486 H LYS 73 H LYS 73 23.036 6.366 11.449 487 HA LYS 73 HA LYS 73 23.847 6.488 14.201 488 HB2 LYS 73 HB2 LYS 73 22.546 8.420 12.302 489 HB3 LYS 73 HB3 LYS 73 22.686 8.796 14.015 490 HG2 LYS 73 HG2 LYS 73 25.218 7.900 13.059 491 HG3 LYS 73 HG3 LYS 73 24.604 9.158 11.984 492 HD2 LYS 73 HD2 LYS 73 24.044 10.361 14.259 493 HD3 LYS 73 HD3 LYS 73 25.313 9.301 14.877 494 HE2 LYS 73 HE2 LYS 73 26.874 10.173 13.236 495 HE3 LYS 73 HE3 LYS 73 25.606 11.174 12.529 496 HZ1 LYS 73 HZ1 LYS 73 26.512 11.424 15.343 497 HZ2 LYS 73 HZ2 LYS 73 25.495 12.477 14.494 498 HZ3 LYS 73 HZ3 LYS 73 27.130 12.360 14.076 499 H CYS 74 H CYS 74 20.733 6.611 12.490 500 HA CYS 74 HA CYS 74 19.258 6.561 14.979 501 HB2 CYS 74 HB2 CYS 74 18.596 6.860 12.098 502 HB3 CYS 74 HB3 CYS 74 17.344 6.186 13.137 503 H GLY 75 H GLY 75 20.925 4.268 13.432 504 HA2 GLY 75 HA2 GLY 75 20.914 1.973 13.521 505 HA3 GLY 75 HA3 GLY 75 19.686 2.118 14.770 506 H VAL 76 H VAL 76 19.518 3.178 11.396 507 HA VAL 76 HA VAL 76 17.650 1.021 10.780 508 HB VAL 76 HB VAL 76 16.136 2.700 11.570 509 HG11 VAL 76 HG11 VAL 76 18.009 4.508 10.266 510 HG12 VAL 76 HG12 VAL 76 16.322 4.895 9.922 511 HG13 VAL 76 HG13 VAL 76 16.885 4.805 11.592 512 HG21 VAL 76 HG21 VAL 76 15.731 3.319 8.750 513 HG22 VAL 76 HG22 VAL 76 16.029 1.607 9.052 514 HG23 VAL 76 HG23 VAL 76 14.703 2.430 9.873 515 H ASN 77 H ASN 77 19.435 0.379 9.429 516 HA ASN 77 HA ASN 77 19.838 2.078 7.063 517 HB2 ASN 77 HB2 ASN 77 21.773 0.349 6.702 518 HB3 ASN 77 HB3 ASN 77 21.966 1.647 7.876 519 HD21 ASN 77 HD21 ASN 77 21.304 -1.756 7.452 520 HD22 ASN 77 HD22 ASN 77 21.708 -2.233 9.062 521 H ILE 78 H ILE 78 20.515 0.518 5.104 522 HA ILE 78 HA ILE 78 18.295 -1.401 4.825 523 HB ILE 78 HB ILE 78 18.678 -0.995 2.313 524 HG12 ILE 78 HG12 ILE 78 20.835 0.375 3.002 525 HG13 ILE 78 HG13 ILE 78 19.878 0.836 1.598 526 HG21 ILE 78 HG21 ILE 78 16.651 -0.263 3.182 527 HG22 ILE 78 HG22 ILE 78 17.418 0.934 4.224 528 HG23 ILE 78 HG23 ILE 78 17.339 1.203 2.483 529 HD11 ILE 78 HD11 ILE 78 19.235 2.043 4.239 530 HD12 ILE 78 HD12 ILE 78 20.642 2.617 3.342 531 HD13 ILE 78 HD13 ILE 78 19.038 2.703 2.615 532 HA PRO 79 HA PRO 79 21.091 -4.686 4.019 533 HB2 PRO 79 HB2 PRO 79 19.776 -6.087 2.101 534 HB3 PRO 79 HB3 PRO 79 19.257 -6.051 3.790 535 HG2 PRO 79 HG2 PRO 79 18.220 -4.488 1.457 536 HG3 PRO 79 HG3 PRO 79 17.318 -5.292 2.755 537 HD2 PRO 79 HD2 PRO 79 17.786 -2.625 2.743 538 HD3 PRO 79 HD3 PRO 79 17.674 -3.568 4.243 539 H TYR 80 H TYR 80 20.407 -2.360 1.661 540 HA TYR 80 HA TYR 80 22.626 -3.343 -0.010 541 HB2 TYR 80 HB2 TYR 80 19.938 -2.334 -0.784 542 HB3 TYR 80 HB3 TYR 80 21.298 -1.856 -1.794 543 HD1 TYR 80 HD2 TYR 80 19.932 -4.947 -0.189 544 HD2 TYR 80 HD1 TYR 80 21.800 -3.206 -3.592 545 HE1 TYR 80 HE2 TYR 80 19.825 -7.113 -1.349 546 HE2 TYR 80 HE1 TYR 80 21.697 -5.367 -4.762 547 HH TYR 80 HH TYR 80 21.465 -8.106 -3.548 548 H LYS 81 H LYS 81 23.618 -1.533 -1.331 549 HA LYS 81 HA LYS 81 24.256 0.641 0.473 550 HB2 LYS 81 HB2 LYS 81 25.947 1.232 -1.257 551 HB3 LYS 81 HB3 LYS 81 26.097 -0.417 -0.664 552 HG2 LYS 81 HG2 LYS 81 24.407 -0.608 -2.865 553 HG3 LYS 81 HG3 LYS 81 25.656 0.543 -3.345 554 HD2 LYS 81 HD2 LYS 81 26.278 -2.119 -2.083 555 HD3 LYS 81 HD3 LYS 81 26.144 -1.891 -3.828 556 HE2 LYS 81 HE2 LYS 81 28.112 -0.792 -3.965 557 HE3 LYS 81 HE3 LYS 81 27.881 0.027 -2.422 558 HZ1 LYS 81 HZ1 LYS 81 28.384 -2.164 -1.353 559 HZ2 LYS 81 HZ2 LYS 81 29.687 -1.446 -2.157 560 HZ3 LYS 81 HZ3 LYS 81 28.857 -2.734 -2.874 561 H ILE 82 H ILE 82 24.398 2.886 -0.367 562 HA ILE 82 HA ILE 82 22.019 3.491 -1.985 563 HB ILE 82 HB ILE 82 23.523 5.274 -0.067 564 HG12 ILE 82 HG12 ILE 82 20.880 4.930 0.780 565 HG13 ILE 82 HG13 ILE 82 21.409 3.322 0.296 566 HG21 ILE 82 HG21 ILE 82 22.516 6.527 -1.900 567 HG22 ILE 82 HG22 ILE 82 20.962 5.759 -1.581 568 HG23 ILE 82 HG23 ILE 82 21.673 6.840 -0.383 569 HD11 ILE 82 HD11 ILE 82 23.500 4.441 1.805 570 HD12 ILE 82 HD12 ILE 82 22.001 4.771 2.673 571 HD13 ILE 82 HD13 ILE 82 22.424 3.114 2.243 572 H SER 83 H SER 83 22.828 3.421 -4.051 573 HA SER 83 HA SER 83 24.355 5.707 -4.892 574 HB2 SER 83 HB2 SER 83 26.270 4.638 -5.741 575 HB3 SER 83 HB3 SER 83 26.044 3.895 -4.158 576 HG SER 83 HG SER 83 24.986 2.156 -5.239 577 H THR 84 H THR 84 24.863 5.388 -7.384 578 HA THR 84 HA THR 84 22.305 4.877 -8.609 579 HB THR 84 HB THR 84 23.625 5.507 -10.741 580 HG1 THR 84 HG1 THR 84 25.612 6.407 -10.420 581 HG21 THR 84 HG21 THR 84 22.551 7.419 -10.350 582 HG22 THR 84 HG22 THR 84 23.877 7.930 -9.306 583 HG23 THR 84 HG23 THR 84 22.501 7.064 -8.624 584 H THR 85 H THR 85 24.728 2.876 -7.737 585 HA THR 85 HA THR 85 24.312 1.088 -10.044 586 HB THR 85 HB THR 85 26.449 0.041 -9.556 587 HG1 THR 85 HG1 THR 85 26.621 1.947 -7.439 588 HG21 THR 85 HG21 THR 85 26.592 3.052 -9.713 589 HG22 THR 85 HG22 THR 85 26.556 1.914 -11.059 590 HG23 THR 85 HG23 THR 85 27.961 1.978 -9.996 591 H THR 86 H THR 86 22.727 1.444 -7.519 592 HA THR 86 HA THR 86 23.129 -1.148 -6.221 593 HB THR 86 HB THR 86 21.364 1.190 -5.481 594 HG1 THR 86 HG1 THR 86 23.880 0.259 -4.702 595 HG21 THR 86 HG21 THR 86 21.271 -1.601 -4.659 596 HG22 THR 86 HG22 THR 86 20.113 -0.301 -4.375 597 HG23 THR 86 HG23 THR 86 21.497 -0.501 -3.301 598 H ASN 87 H ASN 87 21.782 -2.833 -6.474 599 HA ASN 87 HA ASN 87 19.360 -2.405 -8.098 600 HB2 ASN 87 HB2 ASN 87 21.378 -3.804 -9.013 601 HB3 ASN 87 HB3 ASN 87 20.745 -5.060 -7.953 602 HD21 ASN 87 HD21 ASN 87 20.825 -5.619 -10.544 603 HD22 ASN 87 HD22 ASN 87 19.247 -5.582 -11.248 604 H CYS 88 H CYS 88 17.877 -2.197 -6.464 605 HA CYS 88 HA CYS 88 17.806 -3.996 -4.228 606 HB2 CYS 88 HB2 CYS 88 16.133 -1.718 -5.197 607 HB3 CYS 88 HB3 CYS 88 15.436 -2.833 -4.026 608 H ASN 89 H ASN 89 16.971 -4.360 -7.403 609 HA ASN 89 HA ASN 89 14.516 -5.805 -7.119 610 HB2 ASN 89 HB2 ASN 89 15.082 -4.683 -9.221 611 HB3 ASN 89 HB3 ASN 89 16.490 -5.723 -9.411 612 HD21 ASN 89 HD21 ASN 89 15.984 -6.832 -11.194 613 HD22 ASN 89 HD22 ASN 89 14.582 -7.826 -11.374 614 H THR 90 H THR 90 17.831 -6.560 -6.722 615 HA THR 90 HA THR 90 17.342 -9.439 -6.964 616 HB THR 90 HB THR 90 19.943 -9.368 -6.362 617 HG1 THR 90 HG1 THR 90 20.627 -7.369 -6.370 618 HG21 THR 90 HG21 THR 90 19.077 -10.367 -8.375 619 HG22 THR 90 HG22 THR 90 20.398 -9.283 -8.812 620 HG23 THR 90 HG23 THR 90 18.726 -8.782 -9.061 621 H VAL 91 H VAL 91 16.512 -7.527 -4.714 622 HA VAL 91 HA VAL 91 18.008 -8.417 -2.426 623 HB VAL 91 HB VAL 91 15.368 -6.955 -2.571 624 HG11 VAL 91 HG11 VAL 91 16.771 -6.455 -0.160 625 HG12 VAL 91 HG12 VAL 91 15.202 -7.235 -0.376 626 HG13 VAL 91 HG13 VAL 91 16.678 -8.202 -0.378 627 HG21 VAL 91 HG21 VAL 91 17.765 -5.544 -1.647 628 HG22 VAL 91 HG22 VAL 91 17.810 -6.024 -3.343 629 HG23 VAL 91 HG23 VAL 91 16.491 -5.017 -2.746 630 H LYS 92 H LYS 92 17.752 -10.279 -1.402 631 HA LYS 92 HA LYS 92 15.297 -11.821 -1.854 632 HB2 LYS 92 HB2 LYS 92 18.123 -12.529 -1.243 633 HB3 LYS 92 HB3 LYS 92 16.868 -13.598 -0.631 634 HG2 LYS 92 HG2 LYS 92 16.489 -14.473 -2.642 635 HG3 LYS 92 HG3 LYS 92 16.472 -12.890 -3.422 636 HD2 LYS 92 HD2 LYS 92 18.328 -13.799 -4.406 637 HD3 LYS 92 HD3 LYS 92 19.073 -13.036 -2.999 638 HE2 LYS 92 HE2 LYS 92 18.105 -15.759 -2.522 639 HE3 LYS 92 HE3 LYS 92 19.385 -15.651 -3.729 640 HZ1 LYS 92 HZ1 LYS 92 19.573 -15.438 -0.914 641 HZ2 LYS 92 HZ2 LYS 92 20.156 -14.023 -1.633 642 HZ3 LYS 92 HZ3 LYS 92 20.815 -15.521 -2.060 643 H PHE 93 H PHE 93 13.796 -11.645 -0.335 644 HA PHE 93 HA PHE 93 12.774 -11.335 1.678 645 HB2 PHE 93 HB2 PHE 93 15.055 -13.165 2.228 646 HB3 PHE 93 HB3 PHE 93 14.207 -12.490 3.616 647 HD1 PHE 93 HD2 PHE 93 11.563 -12.638 3.431 648 HD2 PHE 93 HD1 PHE 93 14.312 -15.158 1.380 649 HE1 PHE 93 HE2 PHE 93 9.811 -14.349 3.194 650 HE2 PHE 93 HE1 PHE 93 12.564 -16.873 1.138 651 HZ PHE 93 HZ PHE 93 10.311 -16.471 2.047 Start of MODEL 12 1 H1 ALA 1 H ALA 1 1.773 0.012 1.630 2 HA ALA 1 HA ALA 1 2.906 -0.664 -0.293 3 HB1 ALA 1 HB1 ALA 1 1.925 -0.314 -2.522 4 HB2 ALA 1 HB2 ALA 1 0.852 -1.217 -1.451 5 HB3 ALA 1 HB3 ALA 1 0.546 0.490 -1.773 6 H ILE 2 H ILE 2 4.682 0.496 -0.585 7 HA ILE 2 HA ILE 2 4.669 3.353 -0.412 8 HB ILE 2 HB ILE 2 6.903 1.442 -1.106 9 HG12 ILE 2 HG12 ILE 2 7.580 2.345 1.292 10 HG13 ILE 2 HG13 ILE 2 5.846 2.612 1.432 11 HG21 ILE 2 HG21 ILE 2 8.253 3.543 -0.308 12 HG22 ILE 2 HG22 ILE 2 7.708 3.404 -1.979 13 HG23 ILE 2 HG23 ILE 2 6.811 4.408 -0.839 14 HD11 ILE 2 HD11 ILE 2 5.371 0.329 1.229 15 HD12 ILE 2 HD12 ILE 2 6.986 -0.038 0.622 16 HD13 ILE 2 HD13 ILE 2 6.762 0.419 2.310 17 H SER 3 H SER 3 4.256 4.708 -2.015 18 HA SER 3 HA SER 3 4.432 3.766 -4.777 19 HB2 SER 3 HB2 SER 3 2.333 4.801 -4.219 20 HB3 SER 3 HB3 SER 3 3.148 6.213 -3.547 21 HG SER 3 HG SER 3 3.071 7.016 -5.474 22 H CYS 4 H CYS 4 4.984 6.993 -3.396 23 HA CYS 4 HA CYS 4 7.743 7.114 -3.904 24 HB2 CYS 4 HB2 CYS 4 6.330 7.183 -6.266 25 HB3 CYS 4 HB3 CYS 4 6.558 8.893 -5.910 26 H GLY 5 H GLY 5 4.703 8.915 -3.825 27 HA2 GLY 5 HA2 GLY 5 5.666 11.439 -3.170 28 HA3 GLY 5 HA3 GLY 5 4.101 10.809 -2.679 29 H ALA 6 H ALA 6 5.269 8.611 -1.138 30 HA ALA 6 HA ALA 6 5.641 10.038 1.325 31 HB1 ALA 6 HB1 ALA 6 5.291 7.207 0.528 32 HB2 ALA 6 HB2 ALA 6 6.095 7.522 2.066 33 HB3 ALA 6 HB3 ALA 6 4.471 8.146 1.777 34 H VAL 7 H VAL 7 7.685 8.358 -0.960 35 HA VAL 7 HA VAL 7 9.978 8.217 0.745 36 HB VAL 7 HB VAL 7 9.931 8.088 -2.271 37 HG11 VAL 7 HG11 VAL 7 11.844 6.401 -0.941 38 HG12 VAL 7 HG12 VAL 7 12.108 7.658 -2.150 39 HG13 VAL 7 HG13 VAL 7 12.044 8.079 -0.438 40 HG21 VAL 7 HG21 VAL 7 8.337 6.493 -1.276 41 HG22 VAL 7 HG22 VAL 7 9.696 5.686 -2.058 42 HG23 VAL 7 HG23 VAL 7 9.644 5.821 -0.300 43 H THR 8 H THR 8 8.836 10.443 -1.742 44 HA THR 8 HA THR 8 11.197 12.031 -1.812 45 HB THR 8 HB THR 8 8.470 13.068 -2.543 46 HG1 THR 8 HG1 THR 8 8.403 11.781 -4.248 47 HG21 THR 8 HG21 THR 8 9.795 14.782 -3.136 48 HG22 THR 8 HG22 THR 8 10.260 13.765 -4.499 49 HG23 THR 8 HG23 THR 8 11.257 13.801 -3.045 50 H SER 9 H SER 9 8.397 11.948 0.230 51 HA SER 9 HA SER 9 8.464 14.573 1.232 52 HB2 SER 9 HB2 SER 9 6.732 12.587 1.550 53 HB3 SER 9 HB3 SER 9 7.663 12.322 3.024 54 HG SER 9 HG SER 9 6.164 13.757 3.638 55 H ASP 10 H ASP 10 9.930 11.580 2.472 56 HA ASP 10 HA ASP 10 11.282 12.943 4.607 57 HB2 ASP 10 HB2 ASP 10 12.119 10.228 3.679 58 HB3 ASP 10 HB3 ASP 10 11.973 10.856 5.319 59 H LEU 11 H LEU 11 11.884 12.488 1.305 60 HA LEU 11 HA LEU 11 14.739 12.433 1.389 61 HB2 LEU 11 HB2 LEU 11 12.656 12.744 -0.701 62 HB3 LEU 11 HB3 LEU 11 14.280 13.317 -1.077 63 HG LEU 11 HG LEU 11 13.785 10.520 -0.101 64 HD11 LEU 11 HD11 LEU 11 13.435 11.647 -2.847 65 HD12 LEU 11 HD12 LEU 11 12.438 10.480 -1.980 66 HD13 LEU 11 HD13 LEU 11 14.006 9.993 -2.625 67 HD21 LEU 11 HD21 LEU 11 16.016 11.984 -1.463 68 HD22 LEU 11 HD22 LEU 11 15.884 10.228 -1.565 69 HD23 LEU 11 HD23 LEU 11 16.056 11.011 0.007 70 H SER 12 H SER 12 12.297 14.953 1.082 71 HA SER 12 HA SER 12 13.897 17.099 0.352 72 HB2 SER 12 HB2 SER 12 11.275 16.843 0.858 73 HB3 SER 12 HB3 SER 12 11.768 17.618 2.363 74 HG SER 12 HG SER 12 11.158 19.020 0.514 75 HA PRO 13 HA PRO 13 14.659 17.945 5.060 76 HB2 PRO 13 HB2 PRO 13 14.096 15.914 6.771 77 HB3 PRO 13 HB3 PRO 13 12.914 17.149 6.325 78 HG2 PRO 13 HG2 PRO 13 13.241 14.369 5.264 79 HG3 PRO 13 HG3 PRO 13 11.755 15.233 5.699 80 HD2 PRO 13 HD2 PRO 13 12.593 14.973 3.137 81 HD3 PRO 13 HD3 PRO 13 11.701 16.397 3.710 82 H CYS 14 H CYS 14 15.170 14.742 3.732 83 HA CYS 14 HA CYS 14 17.597 14.294 5.237 84 HB2 CYS 14 HB2 CYS 14 16.114 12.767 3.116 85 HB3 CYS 14 HB3 CYS 14 17.753 12.308 3.569 86 H LEU 15 H LEU 15 16.734 15.923 2.396 87 HA LEU 15 HA LEU 15 19.033 15.508 0.813 88 HB2 LEU 15 HB2 LEU 15 16.819 17.467 0.904 89 HB3 LEU 15 HB3 LEU 15 18.283 17.968 0.062 90 HG LEU 15 HG LEU 15 16.597 15.551 -0.588 91 HD11 LEU 15 HD11 LEU 15 16.723 18.326 -1.627 92 HD12 LEU 15 HD12 LEU 15 15.348 17.233 -1.472 93 HD13 LEU 15 HD13 LEU 15 16.499 17.020 -2.791 94 HD21 LEU 15 HD21 LEU 15 19.321 16.258 -1.261 95 HD22 LEU 15 HD22 LEU 15 18.312 16.107 -2.699 96 HD23 LEU 15 HD23 LEU 15 18.436 14.763 -1.563 97 H THR 16 H THR 16 18.188 18.147 3.051 98 HA THR 16 HA THR 16 20.457 19.691 2.824 99 HB THR 16 HB THR 16 18.935 19.140 5.380 100 HG1 THR 16 HG1 THR 16 17.617 20.808 4.735 101 HG21 THR 16 HG21 THR 16 20.943 20.255 5.961 102 HG22 THR 16 HG22 THR 16 19.700 21.505 5.898 103 HG23 THR 16 HG23 THR 16 20.840 21.326 4.564 104 H TYR 17 H TYR 17 20.010 16.696 4.597 105 HA TYR 17 HA TYR 17 22.614 16.870 5.853 106 HB2 TYR 17 HB2 TYR 17 20.627 15.827 6.976 107 HB3 TYR 17 HB3 TYR 17 20.709 14.523 5.797 108 HD1 TYR 17 HD2 TYR 17 23.526 16.239 7.513 109 HD2 TYR 17 HD1 TYR 17 21.258 12.662 7.108 110 HE1 TYR 17 HE2 TYR 17 25.145 15.058 8.938 111 HE2 TYR 17 HE1 TYR 17 22.871 11.471 8.533 112 HH TYR 17 HH TYR 17 25.853 12.468 9.165 113 H LEU 18 H LEU 18 21.070 15.106 3.222 114 HA LEU 18 HA LEU 18 23.285 13.401 2.683 115 HB2 LEU 18 HB2 LEU 18 20.829 14.182 1.152 116 HB3 LEU 18 HB3 LEU 18 22.077 13.172 0.424 117 HG LEU 18 HG LEU 18 20.453 12.499 2.878 118 HD11 LEU 18 HD11 LEU 18 20.410 11.092 0.229 119 HD12 LEU 18 HD12 LEU 18 19.343 12.452 0.575 120 HD13 LEU 18 HD13 LEU 18 19.254 10.990 1.557 121 HD21 LEU 18 HD21 LEU 18 22.959 11.477 1.883 122 HD22 LEU 18 HD22 LEU 18 21.718 10.224 1.878 123 HD23 LEU 18 HD23 LEU 18 22.096 11.085 3.370 124 H THR 19 H THR 19 22.809 16.682 2.202 125 HA THR 19 HA THR 19 24.502 16.833 -0.173 126 HB THR 19 HB THR 19 24.107 19.383 0.245 127 HG1 THR 19 HG1 THR 19 22.937 19.719 1.973 128 HG21 THR 19 HG21 THR 19 22.827 17.443 -1.276 129 HG22 THR 19 HG22 THR 19 22.692 19.191 -1.474 130 HG23 THR 19 HG23 THR 19 21.512 18.320 -0.495 131 H GLY 20 H GLY 20 24.810 16.852 3.187 132 HA2 GLY 20 HA2 GLY 20 27.120 16.754 4.014 133 HA3 GLY 20 HA3 GLY 20 27.473 18.111 2.955 134 H GLY 21 H GLY 21 24.479 18.700 4.155 135 HA2 GLY 21 HA2 GLY 21 25.443 20.757 5.905 136 HA3 GLY 21 HA3 GLY 21 23.760 20.371 5.576 137 HA PRO 22 HA PRO 22 24.799 19.145 9.950 138 HB2 PRO 22 HB2 PRO 22 22.706 20.452 11.082 139 HB3 PRO 22 HB3 PRO 22 24.269 21.221 10.779 140 HG2 PRO 22 HG2 PRO 22 21.745 21.361 9.175 141 HG3 PRO 22 HG3 PRO 22 22.872 22.661 9.602 142 HD2 PRO 22 HD2 PRO 22 22.879 21.468 7.172 143 HD3 PRO 22 HD3 PRO 22 24.356 22.095 7.932 144 H GLY 23 H GLY 23 23.897 17.421 10.977 145 HA2 GLY 23 HA2 GLY 23 21.277 16.661 11.174 146 HA3 GLY 23 HA3 GLY 23 21.796 16.005 9.629 147 HA PRO 24 HA PRO 24 20.786 14.208 9.595 148 HB2 PRO 24 HB2 PRO 24 19.367 12.227 10.791 149 HB3 PRO 24 HB3 PRO 24 20.762 11.916 9.752 150 HG2 PRO 24 HG2 PRO 24 20.607 11.991 12.740 151 HG3 PRO 24 HG3 PRO 24 21.455 10.839 11.693 152 HD2 PRO 24 HD2 PRO 24 22.725 12.873 12.950 153 HD3 PRO 24 HD3 PRO 24 23.242 12.258 11.367 154 H SER 25 H SER 25 19.032 15.469 9.617 155 HA SER 25 HA SER 25 18.215 16.860 11.927 156 HB2 SER 25 HB2 SER 25 16.131 17.293 10.299 157 HB3 SER 25 HB3 SER 25 17.689 18.086 10.067 158 HG SER 25 HG SER 25 16.789 17.065 8.157 159 HA PRO 26 HA PRO 26 15.136 14.364 13.805 160 HB2 PRO 26 HB2 PRO 26 13.159 16.138 14.367 161 HB3 PRO 26 HB3 PRO 26 14.700 16.112 15.231 162 HG2 PRO 26 HG2 PRO 26 13.813 17.890 12.992 163 HG3 PRO 26 HG3 PRO 26 14.699 18.309 14.470 164 HD2 PRO 26 HD2 PRO 26 15.925 17.996 12.077 165 HD3 PRO 26 HD3 PRO 26 16.716 17.595 13.615 166 H GLN 27 H GLN 27 13.886 16.499 11.266 167 HA GLN 27 HA GLN 27 11.486 15.022 10.852 168 HB2 GLN 27 HB2 GLN 27 12.932 17.123 9.253 169 HB3 GLN 27 HB3 GLN 27 11.476 16.343 8.649 170 HG2 GLN 27 HG2 GLN 27 10.190 17.674 9.856 171 HG3 GLN 27 HG3 GLN 27 11.056 17.255 11.333 172 HE21 GLN 27 HE21 GLN 27 10.028 19.802 9.819 173 HE22 GLN 27 HE22 GLN 27 11.321 20.919 10.068 174 H CYS 28 H CYS 28 14.700 14.964 9.429 175 HA CYS 28 HA CYS 28 14.114 13.301 7.231 176 HB2 CYS 28 HB2 CYS 28 16.174 14.483 7.193 177 HB3 CYS 28 HB3 CYS 28 16.657 13.841 8.760 178 H CYS 29 H CYS 29 15.530 12.499 10.404 179 HA CYS 29 HA CYS 29 15.694 9.751 10.080 180 HB2 CYS 29 HB2 CYS 29 15.530 11.590 12.404 181 HB3 CYS 29 HB3 CYS 29 15.188 9.891 12.717 182 H GLY 30 H GLY 30 13.001 11.669 11.394 183 HA2 GLY 30 HA2 GLY 30 11.270 9.644 12.108 184 HA3 GLY 30 HA3 GLY 30 10.751 11.209 11.499 185 H GLY 31 H GLY 31 11.551 11.169 8.899 186 HA2 GLY 31 HA2 GLY 31 9.554 9.538 7.703 187 HA3 GLY 31 HA3 GLY 31 10.740 10.515 6.849 188 H VAL 32 H VAL 32 13.056 9.252 7.978 189 HA VAL 32 HA VAL 32 13.492 7.222 6.122 190 HB VAL 32 HB VAL 32 14.921 7.701 8.740 191 HG11 VAL 32 HG11 VAL 32 15.342 5.450 7.929 192 HG12 VAL 32 HG12 VAL 32 15.765 6.084 6.337 193 HG13 VAL 32 HG13 VAL 32 16.779 6.453 7.732 194 HG21 VAL 32 HG21 VAL 32 16.302 8.437 6.300 195 HG22 VAL 32 HG22 VAL 32 14.780 9.307 6.486 196 HG23 VAL 32 HG23 VAL 32 16.001 9.386 7.756 197 H LYS 33 H LYS 33 12.973 6.890 9.636 198 HA LYS 33 HA LYS 33 12.892 4.095 9.691 199 HB2 LYS 33 HB2 LYS 33 11.826 6.241 11.493 200 HB3 LYS 33 HB3 LYS 33 11.427 4.557 11.807 201 HG2 LYS 33 HG2 LYS 33 13.752 3.995 12.045 202 HG3 LYS 33 HG3 LYS 33 14.232 5.625 11.568 203 HD2 LYS 33 HD2 LYS 33 13.654 6.533 13.583 204 HD3 LYS 33 HD3 LYS 33 12.380 5.346 13.874 205 HE2 LYS 33 HE2 LYS 33 14.575 3.760 13.915 206 HE3 LYS 33 HE3 LYS 33 15.245 5.263 14.548 207 HZ1 LYS 33 HZ1 LYS 33 14.343 4.779 16.494 208 HZ2 LYS 33 HZ2 LYS 33 13.647 3.370 15.869 209 HZ3 LYS 33 HZ3 LYS 33 12.797 4.831 15.809 210 H LYS 34 H LYS 34 10.571 6.388 8.609 211 HA LYS 34 HA LYS 34 8.263 4.717 8.897 212 HB2 LYS 34 HB2 LYS 34 8.430 7.314 8.641 213 HB3 LYS 34 HB3 LYS 34 8.437 6.963 6.918 214 HG2 LYS 34 HG2 LYS 34 6.206 7.284 7.277 215 HG3 LYS 34 HG3 LYS 34 6.320 5.539 7.512 216 HD2 LYS 34 HD2 LYS 34 6.681 6.107 9.994 217 HD3 LYS 34 HD3 LYS 34 6.061 7.705 9.573 218 HE2 LYS 34 HE2 LYS 34 4.571 5.201 8.857 219 HE3 LYS 34 HE3 LYS 34 4.400 5.951 10.443 220 HZ1 LYS 34 HZ1 LYS 34 3.337 7.757 9.579 221 HZ2 LYS 34 HZ2 LYS 34 2.813 6.579 8.485 222 HZ3 LYS 34 HZ3 LYS 34 4.072 7.627 8.061 223 H LEU 35 H LEU 35 10.544 5.436 6.303 224 HA LEU 35 HA LEU 35 9.169 4.076 4.247 225 HB2 LEU 35 HB2 LEU 35 11.039 5.734 3.980 226 HB3 LEU 35 HB3 LEU 35 12.148 4.455 4.469 227 HG LEU 35 HG LEU 35 10.332 4.087 2.113 228 HD11 LEU 35 HD11 LEU 35 12.829 5.714 2.281 229 HD12 LEU 35 HD12 LEU 35 11.341 6.027 1.389 230 HD13 LEU 35 HD13 LEU 35 12.470 4.800 0.815 231 HD21 LEU 35 HD21 LEU 35 12.319 2.682 1.412 232 HD22 LEU 35 HD22 LEU 35 11.393 2.093 2.792 233 HD23 LEU 35 HD23 LEU 35 12.936 2.909 3.049 234 H LEU 36 H LEU 36 11.784 3.056 6.424 235 HA LEU 36 HA LEU 36 11.988 0.429 5.375 236 HB2 LEU 36 HB2 LEU 36 12.992 1.869 7.764 237 HB3 LEU 36 HB3 LEU 36 12.974 0.108 7.831 238 HG LEU 36 HG LEU 36 14.301 1.575 5.572 239 HD11 LEU 36 HD11 LEU 36 15.325 2.474 7.543 240 HD12 LEU 36 HD12 LEU 36 16.423 1.293 6.830 241 HD13 LEU 36 HD13 LEU 36 15.475 0.868 8.255 242 HD21 LEU 36 HD21 LEU 36 14.595 -0.510 4.867 243 HD22 LEU 36 HD22 LEU 36 13.924 -1.170 6.358 244 HD23 LEU 36 HD23 LEU 36 15.641 -0.775 6.262 245 H ALA 37 H ALA 37 10.128 1.864 7.999 246 HA ALA 37 HA ALA 37 9.137 -0.631 8.993 247 HB1 ALA 37 HB1 ALA 37 9.332 1.405 10.386 248 HB2 ALA 37 HB2 ALA 37 8.031 2.137 9.444 249 HB3 ALA 37 HB3 ALA 37 7.716 0.698 10.413 250 H ALA 38 H ALA 38 8.228 1.540 6.468 251 HA ALA 38 HA ALA 38 5.516 0.547 6.264 252 HB1 ALA 38 HB1 ALA 38 7.135 2.495 4.649 253 HB2 ALA 38 HB2 ALA 38 5.530 1.962 4.149 254 HB3 ALA 38 HB3 ALA 38 5.739 2.811 5.680 255 H ALA 39 H ALA 39 8.589 -0.397 5.175 256 HA ALA 39 HA ALA 39 7.359 -2.197 3.192 257 HB1 ALA 39 HB1 ALA 39 9.932 -0.663 3.028 258 HB2 ALA 39 HB2 ALA 39 9.661 -2.118 2.067 259 HB3 ALA 39 HB3 ALA 39 8.600 -0.723 1.872 260 H ASN 40 H ASN 40 7.208 -4.017 4.421 261 HA ASN 40 HA ASN 40 9.592 -4.936 5.858 262 HB2 ASN 40 HB2 ASN 40 7.353 -4.844 7.019 263 HB3 ASN 40 HB3 ASN 40 6.815 -6.127 5.938 264 HD21 ASN 40 HD21 ASN 40 7.771 -8.184 6.106 265 HD22 ASN 40 HD22 ASN 40 8.575 -8.682 7.552 266 H THR 41 H THR 41 7.527 -5.680 3.159 267 HA THR 41 HA THR 41 8.820 -8.265 2.738 268 HB THR 41 HB THR 41 7.214 -8.595 0.929 269 HG1 THR 41 HG1 THR 41 7.046 -6.375 0.287 270 HG21 THR 41 HG21 THR 41 6.598 -9.033 3.340 271 HG22 THR 41 HG22 THR 41 5.239 -8.798 2.240 272 HG23 THR 41 HG23 THR 41 5.740 -7.493 3.315 273 H THR 42 H THR 42 8.957 -8.572 0.097 274 HA THR 42 HA THR 42 11.211 -6.934 -0.620 275 HB THR 42 HB THR 42 9.992 -8.784 -2.609 276 HG1 THR 42 HG1 THR 42 10.179 -10.484 -1.367 277 HG21 THR 42 HG21 THR 42 11.987 -8.223 -3.481 278 HG22 THR 42 HG22 THR 42 12.645 -9.389 -2.334 279 HG23 THR 42 HG23 THR 42 12.616 -7.673 -1.928 280 HA PRO 43 HA PRO 43 7.933 -5.933 -4.253 281 HB2 PRO 43 HB2 PRO 43 5.632 -5.881 -2.354 282 HB3 PRO 43 HB3 PRO 43 5.673 -6.342 -4.060 283 HG2 PRO 43 HG2 PRO 43 5.550 -8.184 -2.118 284 HG3 PRO 43 HG3 PRO 43 6.472 -8.461 -3.607 285 HD2 PRO 43 HD2 PRO 43 7.425 -7.891 -0.869 286 HD3 PRO 43 HD3 PRO 43 8.200 -8.805 -2.178 287 H ASP 44 H ASP 44 7.102 -4.894 -0.939 288 HA ASP 44 HA ASP 44 6.640 -2.196 -1.613 289 HB2 ASP 44 HB2 ASP 44 7.035 -3.726 0.908 290 HB3 ASP 44 HB3 ASP 44 7.245 -1.979 0.984 291 H ARG 45 H ARG 45 9.500 -3.853 -0.325 292 HA ARG 45 HA ARG 45 11.114 -1.568 -0.036 293 HB2 ARG 45 HB2 ARG 45 11.655 -4.502 -0.288 294 HB3 ARG 45 HB3 ARG 45 12.997 -3.367 -0.352 295 HG2 ARG 45 HG2 ARG 45 12.249 -2.457 1.839 296 HG3 ARG 45 HG3 ARG 45 11.046 -3.747 1.906 297 HD2 ARG 45 HD2 ARG 45 13.308 -5.150 1.355 298 HD3 ARG 45 HD3 ARG 45 13.949 -3.837 2.343 299 HE ARG 45 HE ARG 45 12.267 -6.004 3.212 300 HH11 ARG 45 HH11 ARG 45 13.350 -2.762 3.877 301 HH12 ARG 45 HH12 ARG 45 13.003 -2.855 5.573 302 HH21 ARG 45 HH21 ARG 45 11.807 -6.138 5.442 303 HH22 ARG 45 HH22 ARG 45 12.127 -4.776 6.462 304 H GLN 46 H GLN 46 10.249 -3.471 -2.802 305 HA GLN 46 HA GLN 46 12.388 -2.673 -4.495 306 HB2 GLN 46 HB2 GLN 46 9.766 -4.028 -4.848 307 HB3 GLN 46 HB3 GLN 46 10.488 -3.291 -6.273 308 HG2 GLN 46 HG2 GLN 46 12.524 -4.605 -5.908 309 HG3 GLN 46 HG3 GLN 46 11.769 -5.364 -4.507 310 HE21 GLN 46 HE21 GLN 46 12.596 -7.104 -6.217 311 HE22 GLN 46 HE22 GLN 46 11.332 -7.742 -7.207 312 H ALA 47 H ALA 47 9.007 -1.583 -4.231 313 HA ALA 47 HA ALA 47 9.068 0.403 -6.168 314 HB1 ALA 47 HB1 ALA 47 7.418 -0.127 -3.766 315 HB2 ALA 47 HB2 ALA 47 7.324 1.487 -4.472 316 HB3 ALA 47 HB3 ALA 47 6.939 0.072 -5.452 317 H ALA 48 H ALA 48 9.539 0.825 -2.654 318 HA ALA 48 HA ALA 48 10.196 3.523 -2.688 319 HB1 ALA 48 HB1 ALA 48 11.392 1.521 -0.785 320 HB2 ALA 48 HB2 ALA 48 11.056 3.229 -0.499 321 HB3 ALA 48 HB3 ALA 48 9.725 2.086 -0.673 322 H CYS 49 H CYS 49 12.411 0.729 -2.735 323 HA CYS 49 HA CYS 49 14.824 2.025 -2.832 324 HB2 CYS 49 HB2 CYS 49 13.827 -0.567 -3.898 325 HB3 CYS 49 HB3 CYS 49 15.390 -0.004 -4.482 326 H ASN 50 H ASN 50 12.561 1.467 -5.479 327 HA ASN 50 HA ASN 50 14.229 2.384 -7.563 328 HB2 ASN 50 HB2 ASN 50 11.209 2.344 -7.368 329 HB3 ASN 50 HB3 ASN 50 12.119 2.625 -8.850 330 HD21 ASN 50 HD21 ASN 50 10.233 0.477 -7.944 331 HD22 ASN 50 HD22 ASN 50 11.077 -0.998 -8.255 332 H CYS 51 H CYS 51 11.906 4.024 -5.466 333 HA CYS 51 HA CYS 51 12.134 6.549 -6.784 334 HB2 CYS 51 HB2 CYS 51 11.002 5.717 -4.113 335 HB3 CYS 51 HB3 CYS 51 10.999 7.389 -4.666 336 H LEU 52 H LEU 52 13.745 4.985 -4.095 337 HA LEU 52 HA LEU 52 15.088 7.341 -3.178 338 HB2 LEU 52 HB2 LEU 52 15.169 4.442 -2.564 339 HB3 LEU 52 HB3 LEU 52 16.588 5.399 -2.142 340 HG LEU 52 HG LEU 52 13.782 5.954 -1.178 341 HD11 LEU 52 HD11 LEU 52 14.538 5.095 0.966 342 HD12 LEU 52 HD12 LEU 52 16.108 4.694 0.270 343 HD13 LEU 52 HD13 LEU 52 14.659 3.852 -0.280 344 HD21 LEU 52 HD21 LEU 52 14.744 7.989 -0.923 345 HD22 LEU 52 HD22 LEU 52 16.383 7.339 -0.919 346 HD23 LEU 52 HD23 LEU 52 15.388 7.232 0.534 347 H LYS 53 H LYS 53 16.261 4.396 -4.818 348 HA LYS 53 HA LYS 53 18.857 5.174 -5.297 349 HB2 LYS 53 HB2 LYS 53 17.474 2.976 -5.891 350 HB3 LYS 53 HB3 LYS 53 17.438 3.727 -7.481 351 HG2 LYS 53 HG2 LYS 53 19.451 2.904 -7.874 352 HG3 LYS 53 HG3 LYS 53 20.092 3.913 -6.575 353 HD2 LYS 53 HD2 LYS 53 18.893 1.173 -6.180 354 HD3 LYS 53 HD3 LYS 53 20.623 1.495 -6.323 355 HE2 LYS 53 HE2 LYS 53 20.762 2.142 -4.195 356 HE3 LYS 53 HE3 LYS 53 19.374 3.216 -4.360 357 HZ1 LYS 53 HZ1 LYS 53 18.538 0.510 -4.333 358 HZ2 LYS 53 HZ2 LYS 53 18.108 1.769 -3.288 359 HZ3 LYS 53 HZ3 LYS 53 19.483 0.837 -2.968 360 H SER 54 H SER 54 15.960 5.943 -7.165 361 HA SER 54 HA SER 54 17.385 7.301 -9.243 362 HB2 SER 54 HB2 SER 54 15.196 6.298 -9.680 363 HB3 SER 54 HB3 SER 54 14.450 7.376 -8.500 364 HG SER 54 HG SER 54 14.809 9.088 -9.827 365 H ALA 55 H ALA 55 15.965 8.199 -6.189 366 HA ALA 55 HA ALA 55 15.949 11.015 -6.652 367 HB1 ALA 55 HB1 ALA 55 15.646 9.284 -4.230 368 HB2 ALA 55 HB2 ALA 55 15.816 11.033 -4.068 369 HB3 ALA 55 HB3 ALA 55 14.472 10.360 -4.991 370 H ALA 56 H ALA 56 18.057 8.924 -4.672 371 HA ALA 56 HA ALA 56 19.904 10.921 -3.983 372 HB1 ALA 56 HB1 ALA 56 20.600 8.012 -4.273 373 HB2 ALA 56 HB2 ALA 56 21.272 9.196 -3.151 374 HB3 ALA 56 HB3 ALA 56 19.618 8.622 -2.941 375 H GLY 57 H GLY 57 19.384 9.288 -6.938 376 HA2 GLY 57 HA2 GLY 57 22.027 9.371 -7.982 377 HA3 GLY 57 HA3 GLY 57 20.549 9.207 -8.919 378 H SER 58 H SER 58 19.859 11.848 -7.290 379 HA SER 58 HA SER 58 21.066 13.613 -9.313 380 HB2 SER 58 HB2 SER 58 18.484 13.294 -9.083 381 HB3 SER 58 HB3 SER 58 18.653 14.366 -7.693 382 HG SER 58 HG SER 58 19.502 14.941 -10.341 383 H ILE 59 H ILE 59 22.123 12.736 -6.625 384 HA ILE 59 HA ILE 59 22.185 15.274 -5.177 385 HB ILE 59 HB ILE 59 23.450 12.643 -4.405 386 HG12 ILE 59 HG12 ILE 59 20.983 12.488 -4.602 387 HG13 ILE 59 HG13 ILE 59 21.538 12.306 -2.941 388 HG21 ILE 59 HG21 ILE 59 24.534 14.364 -3.226 389 HG22 ILE 59 HG22 ILE 59 23.028 15.243 -2.962 390 HG23 ILE 59 HG23 ILE 59 23.327 13.730 -2.108 391 HD11 ILE 59 HD11 ILE 59 19.606 14.077 -3.936 392 HD12 ILE 59 HD12 ILE 59 20.243 13.974 -2.294 393 HD13 ILE 59 HD13 ILE 59 20.992 15.060 -3.464 394 H THR 60 H THR 60 23.685 16.703 -5.718 395 HA THR 60 HA THR 60 25.921 16.156 -7.333 396 HB THR 60 HB THR 60 25.085 18.390 -7.308 397 HG1 THR 60 HG1 THR 60 27.160 18.767 -7.616 398 HG21 THR 60 HG21 THR 60 25.854 19.418 -4.788 399 HG22 THR 60 HG22 THR 60 24.904 17.963 -4.488 400 HG23 THR 60 HG23 THR 60 24.228 19.275 -5.453 401 H LYS 61 H LYS 61 27.578 14.916 -6.752 402 HA LYS 61 HA LYS 61 29.299 14.017 -5.567 403 HB2 LYS 61 HB2 LYS 61 29.115 16.790 -4.450 404 HB3 LYS 61 HB3 LYS 61 30.229 15.637 -3.727 405 HG2 LYS 61 HG2 LYS 61 30.780 15.379 -6.392 406 HG3 LYS 61 HG3 LYS 61 30.410 17.099 -6.244 407 HD2 LYS 61 HD2 LYS 61 32.121 17.437 -4.664 408 HD3 LYS 61 HD3 LYS 61 32.296 15.707 -4.361 409 HE2 LYS 61 HE2 LYS 61 34.150 16.387 -5.691 410 HE3 LYS 61 HE3 LYS 61 33.068 15.463 -6.732 411 HZ1 LYS 61 HZ1 LYS 61 32.172 17.580 -7.556 412 HZ2 LYS 61 HZ2 LYS 61 33.824 17.418 -7.877 413 HZ3 LYS 61 HZ3 LYS 61 33.302 18.421 -6.619 414 H LEU 62 H LEU 62 27.089 12.854 -4.815 415 HA LEU 62 HA LEU 62 26.116 13.094 -2.246 416 HB2 LEU 62 HB2 LEU 62 25.091 11.622 -3.841 417 HB3 LEU 62 HB3 LEU 62 26.539 10.620 -3.912 418 HG LEU 62 HG LEU 62 25.984 10.333 -1.322 419 HD11 LEU 62 HD11 LEU 62 23.207 10.117 -2.104 420 HD12 LEU 62 HD12 LEU 62 23.781 11.782 -2.174 421 HD13 LEU 62 HD13 LEU 62 23.925 10.863 -0.676 422 HD21 LEU 62 HD21 LEU 62 26.041 8.294 -2.224 423 HD22 LEU 62 HD22 LEU 62 25.379 8.860 -3.758 424 HD23 LEU 62 HD23 LEU 62 24.296 8.457 -2.424 425 H ASN 63 H ASN 63 26.715 12.401 -0.242 426 HA ASN 63 HA ASN 63 29.472 11.412 0.006 427 HB2 ASN 63 HB2 ASN 63 28.525 13.624 1.119 428 HB3 ASN 63 HB3 ASN 63 27.960 12.492 2.345 429 HD21 ASN 63 HD21 ASN 63 30.203 14.615 1.995 430 HD22 ASN 63 HD22 ASN 63 31.571 13.836 2.707 431 H THR 64 H THR 64 29.368 9.235 0.025 432 HA THR 64 HA THR 64 27.311 7.632 0.960 433 HB THR 64 HB THR 64 29.130 5.861 1.264 434 HG1 THR 64 HG1 THR 64 31.143 6.494 1.121 435 HG21 THR 64 HG21 THR 64 28.577 5.388 -0.840 436 HG22 THR 64 HG22 THR 64 29.691 6.624 -1.422 437 HG23 THR 64 HG23 THR 64 28.017 7.045 -1.063 438 H ASN 65 H ASN 65 29.992 9.083 2.708 439 HA ASN 65 HA ASN 65 29.705 7.627 5.109 440 HB2 ASN 65 HB2 ASN 65 31.051 10.155 4.293 441 HB3 ASN 65 HB3 ASN 65 30.775 9.903 6.014 442 HD21 ASN 65 HD21 ASN 65 31.627 7.950 6.968 443 HD22 ASN 65 HD22 ASN 65 33.064 7.245 6.317 444 H ASN 66 H ASN 66 28.357 10.723 4.029 445 HA ASN 66 HA ASN 66 26.980 11.254 6.464 446 HB2 ASN 66 HB2 ASN 66 26.430 12.359 3.700 447 HB3 ASN 66 HB3 ASN 66 25.877 13.044 5.226 448 HD21 ASN 66 HD21 ASN 66 27.187 14.690 3.636 449 HD22 ASN 66 HD22 ASN 66 28.792 14.986 4.202 450 H ALA 67 H ALA 67 26.048 9.819 3.369 451 HA ALA 67 HA ALA 67 23.295 9.572 3.901 452 HB1 ALA 67 HB1 ALA 67 25.195 8.387 1.961 453 HB2 ALA 67 HB2 ALA 67 23.655 7.559 2.197 454 HB3 ALA 67 HB3 ALA 67 23.679 9.247 1.687 455 H ALA 68 H ALA 68 26.012 7.371 4.465 456 HA ALA 68 HA ALA 68 24.360 5.278 5.520 457 HB1 ALA 68 HB1 ALA 68 27.321 5.728 5.378 458 HB2 ALA 68 HB2 ALA 68 26.638 4.378 6.286 459 HB3 ALA 68 HB3 ALA 68 26.340 4.516 4.553 460 H ALA 69 H ALA 69 25.766 8.139 6.780 461 HA ALA 69 HA ALA 69 25.928 7.288 9.513 462 HB1 ALA 69 HB1 ALA 69 26.054 9.990 8.197 463 HB2 ALA 69 HB2 ALA 69 26.170 9.766 9.943 464 HB3 ALA 69 HB3 ALA 69 27.378 9.045 8.880 465 H LEU 70 H LEU 70 23.548 8.938 7.516 466 HA LEU 70 HA LEU 70 21.827 9.959 9.397 467 HB2 LEU 70 HB2 LEU 70 21.144 10.481 7.294 468 HB3 LEU 70 HB3 LEU 70 21.518 8.880 6.659 469 HG LEU 70 HG LEU 70 19.459 8.001 7.623 470 HD11 LEU 70 HD11 LEU 70 17.839 9.957 8.376 471 HD12 LEU 70 HD12 LEU 70 19.365 10.697 8.859 472 HD13 LEU 70 HD13 LEU 70 18.899 9.129 9.517 473 HD21 LEU 70 HD21 LEU 70 17.879 9.683 6.328 474 HD22 LEU 70 HD22 LEU 70 18.994 8.614 5.477 475 HD23 LEU 70 HD23 LEU 70 19.424 10.303 5.746 476 HA PRO 71 HA PRO 71 19.576 5.688 9.702 477 HB2 PRO 71 HB2 PRO 71 20.857 3.540 8.644 478 HB3 PRO 71 HB3 PRO 71 19.732 4.540 7.717 479 HG2 PRO 71 HG2 PRO 71 22.724 4.602 7.765 480 HG3 PRO 71 HG3 PRO 71 21.625 4.711 6.378 481 HD2 PRO 71 HD2 PRO 71 22.804 6.887 7.478 482 HD3 PRO 71 HD3 PRO 71 21.191 6.946 6.738 483 H GLY 72 H GLY 72 23.107 5.143 9.582 484 HA2 GLY 72 HA2 GLY 72 23.267 3.398 11.757 485 HA3 GLY 72 HA3 GLY 72 24.580 4.416 11.183 486 H LYS 73 H LYS 73 22.899 6.849 11.685 487 HA LYS 73 HA LYS 73 23.764 7.274 14.390 488 HB2 LYS 73 HB2 LYS 73 22.427 8.968 12.304 489 HB3 LYS 73 HB3 LYS 73 22.524 9.528 13.969 490 HG2 LYS 73 HG2 LYS 73 25.096 8.606 13.165 491 HG3 LYS 73 HG3 LYS 73 24.474 9.715 11.940 492 HD2 LYS 73 HD2 LYS 73 23.829 11.145 14.064 493 HD3 LYS 73 HD3 LYS 73 25.132 10.210 14.803 494 HE2 LYS 73 HE2 LYS 73 26.672 10.953 13.079 495 HE3 LYS 73 HE3 LYS 73 25.374 11.825 12.265 496 HZ1 LYS 73 HZ1 LYS 73 25.271 13.399 13.951 497 HZ2 LYS 73 HZ2 LYS 73 26.933 13.135 13.777 498 HZ3 LYS 73 HZ3 LYS 73 26.095 12.428 15.065 499 H CYS 74 H CYS 74 20.607 7.225 12.748 500 HA CYS 74 HA CYS 74 19.196 7.379 15.270 501 HB2 CYS 74 HB2 CYS 74 18.460 7.439 12.392 502 HB3 CYS 74 HB3 CYS 74 17.238 6.849 13.513 503 H GLY 75 H GLY 75 20.832 4.968 13.874 504 HA2 GLY 75 HA2 GLY 75 20.830 2.688 14.149 505 HA3 GLY 75 HA3 GLY 75 19.639 2.934 15.418 506 H VAL 76 H VAL 76 19.432 3.638 11.945 507 HA VAL 76 HA VAL 76 17.494 1.482 11.608 508 HB VAL 76 HB VAL 76 16.034 3.283 12.197 509 HG11 VAL 76 HG11 VAL 76 16.279 5.276 10.320 510 HG12 VAL 76 HG12 VAL 76 16.856 5.351 11.986 511 HG13 VAL 76 HG13 VAL 76 17.956 4.874 10.691 512 HG21 VAL 76 HG21 VAL 76 15.738 1.852 9.972 513 HG22 VAL 76 HG22 VAL 76 14.573 3.082 10.464 514 HG23 VAL 76 HG23 VAL 76 15.793 3.459 9.247 515 H ASN 77 H ASN 77 19.204 0.603 10.316 516 HA ASN 77 HA ASN 77 19.838 2.038 7.848 517 HB2 ASN 77 HB2 ASN 77 21.076 -0.207 9.361 518 HB3 ASN 77 HB3 ASN 77 21.290 -0.194 7.613 519 HD21 ASN 77 HD21 ASN 77 22.786 1.096 6.754 520 HD22 ASN 77 HD22 ASN 77 23.702 2.271 7.628 521 H ILE 78 H ILE 78 20.100 0.415 5.901 522 HA ILE 78 HA ILE 78 17.543 -1.029 5.681 523 HB ILE 78 HB ILE 78 17.943 -0.754 3.171 524 HG12 ILE 78 HG12 ILE 78 20.388 0.062 3.773 525 HG13 ILE 78 HG13 ILE 78 19.536 0.704 2.374 526 HG21 ILE 78 HG21 ILE 78 17.266 1.491 5.037 527 HG22 ILE 78 HG22 ILE 78 17.174 1.694 3.289 528 HG23 ILE 78 HG23 ILE 78 16.184 0.472 4.088 529 HD11 ILE 78 HD11 ILE 78 19.280 2.104 4.985 530 HD12 ILE 78 HD12 ILE 78 20.758 2.292 4.041 531 HD13 ILE 78 HD13 ILE 78 19.203 2.747 3.345 532 HA PRO 79 HA PRO 79 19.586 -4.844 4.952 533 HB2 PRO 79 HB2 PRO 79 17.958 -5.998 3.110 534 HB3 PRO 79 HB3 PRO 79 17.505 -5.806 4.808 535 HG2 PRO 79 HG2 PRO 79 16.749 -4.131 2.445 536 HG3 PRO 79 HG3 PRO 79 15.736 -4.692 3.788 537 HD2 PRO 79 HD2 PRO 79 16.744 -2.182 3.674 538 HD3 PRO 79 HD3 PRO 79 16.482 -3.037 5.208 539 H TYR 80 H TYR 80 19.327 -2.500 2.525 540 HA TYR 80 HA TYR 80 21.250 -3.969 0.845 541 HB2 TYR 80 HB2 TYR 80 19.309 -1.922 -0.219 542 HB3 TYR 80 HB3 TYR 80 20.297 -3.058 -1.132 543 HD1 TYR 80 HD1 TYR 80 19.814 -5.608 -0.577 544 HD2 TYR 80 HD2 TYR 80 17.075 -2.420 0.083 545 HE1 TYR 80 HE1 TYR 80 17.950 -7.211 -0.607 546 HE2 TYR 80 HE2 TYR 80 15.203 -4.015 0.056 547 HH TYR 80 HH TYR 80 15.664 -7.393 0.195 548 H LYS 81 H LYS 81 22.019 -2.003 -0.857 549 HA LYS 81 HA LYS 81 23.394 -0.143 0.949 550 HB2 LYS 81 HB2 LYS 81 24.041 -1.224 -1.782 551 HB3 LYS 81 HB3 LYS 81 24.844 0.212 -1.160 552 HG2 LYS 81 HG2 LYS 81 25.983 -0.955 0.456 553 HG3 LYS 81 HG3 LYS 81 24.795 -2.260 0.503 554 HD2 LYS 81 HD2 LYS 81 25.576 -2.740 -1.915 555 HD3 LYS 81 HD3 LYS 81 26.982 -1.763 -1.487 556 HE2 LYS 81 HE2 LYS 81 26.236 -3.833 0.468 557 HE3 LYS 81 HE3 LYS 81 26.797 -4.436 -1.091 558 HZ1 LYS 81 HZ1 LYS 81 28.733 -4.235 0.124 559 HZ2 LYS 81 HZ2 LYS 81 28.248 -2.808 0.890 560 HZ3 LYS 81 HZ3 LYS 81 28.711 -2.778 -0.736 561 H ILE 82 H ILE 82 23.939 2.027 -0.091 562 HA ILE 82 HA ILE 82 21.568 3.041 -1.521 563 HB ILE 82 HB ILE 82 23.256 4.651 0.388 564 HG12 ILE 82 HG12 ILE 82 20.923 4.370 1.702 565 HG13 ILE 82 HG13 ILE 82 20.975 2.816 0.876 566 HG21 ILE 82 HG21 ILE 82 21.097 5.241 -1.440 567 HG22 ILE 82 HG22 ILE 82 20.691 5.700 0.213 568 HG23 ILE 82 HG23 ILE 82 22.148 6.339 -0.547 569 HD11 ILE 82 HD11 ILE 82 22.213 2.106 2.571 570 HD12 ILE 82 HD12 ILE 82 23.516 3.101 1.921 571 HD13 ILE 82 HD13 ILE 82 22.456 3.744 3.175 572 H SER 83 H SER 83 22.404 2.987 -3.578 573 HA SER 83 HA SER 83 24.025 5.156 -4.383 574 HB2 SER 83 HB2 SER 83 25.355 2.513 -4.001 575 HB3 SER 83 HB3 SER 83 25.810 3.472 -5.409 576 HG SER 83 HG SER 83 26.184 3.999 -2.690 577 H THR 84 H THR 84 24.774 4.745 -6.789 578 HA THR 84 HA THR 84 22.378 4.024 -8.217 579 HB THR 84 HB THR 84 23.715 4.689 -10.248 580 HG1 THR 84 HG1 THR 84 25.802 4.275 -9.374 581 HG21 THR 84 HG21 THR 84 24.068 7.143 -9.156 582 HG22 THR 84 HG22 THR 84 22.988 6.410 -7.970 583 HG23 THR 84 HG23 THR 84 22.505 6.505 -9.664 584 H THR 85 H THR 85 24.920 2.264 -7.068 585 HA THR 85 HA THR 85 24.905 0.373 -9.317 586 HB THR 85 HB THR 85 26.911 -0.604 -8.387 587 HG1 THR 85 HG1 THR 85 27.821 0.505 -6.468 588 HG21 THR 85 HG21 THR 85 28.365 1.053 -9.007 589 HG22 THR 85 HG22 THR 85 27.514 2.295 -8.087 590 HG23 THR 85 HG23 THR 85 26.863 1.737 -9.628 591 H THR 86 H THR 86 22.847 0.755 -7.116 592 HA THR 86 HA THR 86 22.890 -2.001 -6.070 593 HB THR 86 HB THR 86 21.625 0.472 -4.877 594 HG1 THR 86 HG1 THR 86 23.786 0.336 -4.349 595 HG21 THR 86 HG21 THR 86 21.263 -2.435 -4.272 596 HG22 THR 86 HG22 THR 86 20.065 -1.141 -4.314 597 HG23 THR 86 HG23 THR 86 21.193 -1.255 -2.964 598 H ASN 87 H ASN 87 21.077 -3.266 -6.275 599 HA ASN 87 HA ASN 87 18.743 -2.111 -7.624 600 HB2 ASN 87 HB2 ASN 87 20.476 -3.363 -9.163 601 HB3 ASN 87 HB3 ASN 87 19.720 -4.805 -8.492 602 HD21 ASN 87 HD21 ASN 87 19.653 -4.125 -11.196 603 HD22 ASN 87 HD22 ASN 87 18.017 -3.790 -11.637 604 H CYS 88 H CYS 88 17.298 -2.339 -6.011 605 HA CYS 88 HA CYS 88 17.241 -4.615 -4.277 606 HB2 CYS 88 HB2 CYS 88 15.195 -2.423 -4.690 607 HB3 CYS 88 HB3 CYS 88 15.187 -3.591 -3.373 608 H ASN 89 H ASN 89 16.032 -3.974 -7.381 609 HA ASN 89 HA ASN 89 13.749 -5.724 -7.236 610 HB2 ASN 89 HB2 ASN 89 13.734 -3.838 -8.788 611 HB3 ASN 89 HB3 ASN 89 15.149 -4.484 -9.615 612 HD21 ASN 89 HD21 ASN 89 11.746 -4.642 -9.236 613 HD22 ASN 89 HD22 ASN 89 11.441 -5.820 -10.462 614 H THR 90 H THR 90 17.070 -5.912 -8.401 615 HA THR 90 HA THR 90 16.658 -8.735 -9.101 616 HB THR 90 HB THR 90 19.045 -8.448 -10.072 617 HG1 THR 90 HG1 THR 90 19.319 -6.173 -10.743 618 HG21 THR 90 HG21 THR 90 17.952 -8.454 -12.016 619 HG22 THR 90 HG22 THR 90 17.451 -6.777 -11.793 620 HG23 THR 90 HG23 THR 90 16.473 -8.086 -11.128 621 H VAL 91 H VAL 91 16.660 -8.331 -6.424 622 HA VAL 91 HA VAL 91 19.271 -8.536 -5.269 623 HB VAL 91 HB VAL 91 16.568 -9.158 -4.071 624 HG11 VAL 91 HG11 VAL 91 18.474 -8.410 -2.118 625 HG12 VAL 91 HG12 VAL 91 17.645 -9.957 -2.303 626 HG13 VAL 91 HG13 VAL 91 19.193 -9.684 -3.103 627 HG21 VAL 91 HG21 VAL 91 17.162 -6.772 -4.896 628 HG22 VAL 91 HG22 VAL 91 16.479 -6.980 -3.284 629 HG23 VAL 91 HG23 VAL 91 18.213 -6.730 -3.481 630 H LYS 92 H LYS 92 20.484 -10.289 -4.958 631 HA LYS 92 HA LYS 92 19.376 -12.892 -5.715 632 HB2 LYS 92 HB2 LYS 92 22.100 -11.695 -5.676 633 HB3 LYS 92 HB3 LYS 92 21.977 -13.429 -5.412 634 HG2 LYS 92 HG2 LYS 92 20.967 -13.771 -7.527 635 HG3 LYS 92 HG3 LYS 92 20.725 -12.039 -7.764 636 HD2 LYS 92 HD2 LYS 92 22.606 -12.811 -9.089 637 HD3 LYS 92 HD3 LYS 92 23.165 -11.724 -7.816 638 HE2 LYS 92 HE2 LYS 92 23.104 -14.593 -7.134 639 HE3 LYS 92 HE3 LYS 92 24.285 -14.117 -8.354 640 HZ1 LYS 92 HZ1 LYS 92 25.325 -13.967 -6.244 641 HZ2 LYS 92 HZ2 LYS 92 24.044 -13.082 -5.585 642 HZ3 LYS 92 HZ3 LYS 92 25.042 -12.380 -6.757 643 H PHE 93 H PHE 93 18.260 -13.454 -3.849 644 HA PHE 93 HA PHE 93 17.935 -14.246 -1.738 645 HB2 PHE 93 HB2 PHE 93 20.603 -15.275 -2.559 646 HB3 PHE 93 HB3 PHE 93 20.151 -15.463 -0.868 647 HD1 PHE 93 HD2 PHE 93 19.332 -16.392 -4.321 648 HD2 PHE 93 HD1 PHE 93 18.427 -16.983 -0.204 649 HE1 PHE 93 HE2 PHE 93 18.014 -18.386 -4.900 650 HE2 PHE 93 HE1 PHE 93 17.109 -18.979 -0.777 651 HZ PHE 93 HZ PHE 93 16.899 -19.683 -3.127 Start of MODEL 13 1 H1 ALA 1 H ALA 1 3.015 -0.879 1.170 2 HA ALA 1 HA ALA 1 3.211 -1.067 -1.191 3 HB1 ALA 1 HB1 ALA 1 1.460 -0.722 -2.632 4 HB2 ALA 1 HB2 ALA 1 0.591 -1.195 -1.172 5 HB3 ALA 1 HB3 ALA 1 0.717 0.509 -1.610 6 H ILE 2 H ILE 2 4.969 0.292 -0.870 7 HA ILE 2 HA ILE 2 4.670 3.113 -0.488 8 HB ILE 2 HB ILE 2 7.094 1.489 -1.265 9 HG12 ILE 2 HG12 ILE 2 7.645 2.249 1.205 10 HG13 ILE 2 HG13 ILE 2 5.893 2.365 1.329 11 HG21 ILE 2 HG21 ILE 2 7.871 3.507 -1.900 12 HG22 ILE 2 HG22 ILE 2 6.662 4.385 -0.964 13 HG23 ILE 2 HG23 ILE 2 8.094 3.736 -0.166 14 HD11 ILE 2 HD11 ILE 2 7.054 0.181 2.024 15 HD12 ILE 2 HD12 ILE 2 5.598 0.089 1.033 16 HD13 ILE 2 HD13 ILE 2 7.184 -0.121 0.292 17 H SER 3 H SER 3 4.309 4.612 -1.978 18 HA SER 3 HA SER 3 4.478 3.873 -4.800 19 HB2 SER 3 HB2 SER 3 2.380 4.842 -4.255 20 HB3 SER 3 HB3 SER 3 3.135 6.146 -3.338 21 HG SER 3 HG SER 3 2.352 6.439 -5.687 22 H CYS 4 H CYS 4 5.031 6.985 -3.172 23 HA CYS 4 HA CYS 4 7.782 7.157 -3.725 24 HB2 CYS 4 HB2 CYS 4 6.389 7.388 -6.048 25 HB3 CYS 4 HB3 CYS 4 6.464 9.073 -5.543 26 H GLY 5 H GLY 5 4.743 8.935 -3.412 27 HA2 GLY 5 HA2 GLY 5 5.719 11.390 -2.546 28 HA3 GLY 5 HA3 GLY 5 4.166 10.713 -2.079 29 H ALA 6 H ALA 6 5.612 8.362 -0.864 30 HA ALA 6 HA ALA 6 5.935 9.542 1.753 31 HB1 ALA 6 HB1 ALA 6 6.504 6.982 2.210 32 HB2 ALA 6 HB2 ALA 6 4.850 7.567 2.032 33 HB3 ALA 6 HB3 ALA 6 5.664 6.798 0.670 34 H VAL 7 H VAL 7 7.967 8.078 -0.712 35 HA VAL 7 HA VAL 7 10.314 7.949 0.923 36 HB VAL 7 HB VAL 7 10.224 7.952 -2.092 37 HG11 VAL 7 HG11 VAL 7 12.138 6.200 -0.843 38 HG12 VAL 7 HG12 VAL 7 12.400 7.507 -1.999 39 HG13 VAL 7 HG13 VAL 7 12.340 7.856 -0.271 40 HG21 VAL 7 HG21 VAL 7 10.021 5.526 -1.981 41 HG22 VAL 7 HG22 VAL 7 9.906 5.604 -0.223 42 HG23 VAL 7 HG23 VAL 7 8.632 6.304 -1.222 43 H THR 8 H THR 8 9.138 10.157 -1.591 44 HA THR 8 HA THR 8 11.410 11.849 -1.578 45 HB THR 8 HB THR 8 8.678 12.851 -2.306 46 HG1 THR 8 HG1 THR 8 8.512 11.183 -3.604 47 HG21 THR 8 HG21 THR 8 10.732 14.294 -2.441 48 HG22 THR 8 HG22 THR 8 9.858 14.108 -3.962 49 HG23 THR 8 HG23 THR 8 11.340 13.196 -3.680 50 H SER 9 H SER 9 8.556 11.663 0.400 51 HA SER 9 HA SER 9 8.516 14.256 1.452 52 HB2 SER 9 HB2 SER 9 7.479 11.603 2.316 53 HB3 SER 9 HB3 SER 9 7.560 12.875 3.535 54 HG SER 9 HG SER 9 6.096 14.029 2.461 55 H ASP 10 H ASP 10 10.131 11.326 2.655 56 HA ASP 10 HA ASP 10 11.389 12.703 4.831 57 HB2 ASP 10 HB2 ASP 10 12.401 10.084 3.795 58 HB3 ASP 10 HB3 ASP 10 12.245 10.643 5.458 59 H LEU 11 H LEU 11 12.131 12.153 1.513 60 HA LEU 11 HA LEU 11 14.953 12.432 1.668 61 HB2 LEU 11 HB2 LEU 11 12.922 12.600 -0.513 62 HB3 LEU 11 HB3 LEU 11 14.571 13.143 -0.820 63 HG LEU 11 HG LEU 11 14.094 10.406 0.285 64 HD11 LEU 11 HD11 LEU 11 12.644 10.241 -1.518 65 HD12 LEU 11 HD12 LEU 11 14.180 9.698 -2.194 66 HD13 LEU 11 HD13 LEU 11 13.602 11.332 -2.519 67 HD21 LEU 11 HD21 LEU 11 16.339 10.678 0.208 68 HD22 LEU 11 HD22 LEU 11 16.259 11.910 -1.051 69 HD23 LEU 11 HD23 LEU 11 16.103 10.204 -1.474 70 H SER 12 H SER 12 12.293 14.685 1.452 71 HA SER 12 HA SER 12 13.628 16.975 0.602 72 HB2 SER 12 HB2 SER 12 11.163 16.435 2.178 73 HB3 SER 12 HB3 SER 12 11.817 18.072 2.245 74 HG SER 12 HG SER 12 10.857 16.630 0.023 75 HA PRO 13 HA PRO 13 14.536 18.024 5.231 76 HB2 PRO 13 HB2 PRO 13 14.118 16.059 7.057 77 HB3 PRO 13 HB3 PRO 13 12.868 17.219 6.590 78 HG2 PRO 13 HG2 PRO 13 13.286 14.405 5.656 79 HG3 PRO 13 HG3 PRO 13 11.776 15.225 6.097 80 HD2 PRO 13 HD2 PRO 13 12.546 14.874 3.525 81 HD3 PRO 13 HD3 PRO 13 11.609 16.285 4.057 82 H CYS 14 H CYS 14 15.195 14.868 3.919 83 HA CYS 14 HA CYS 14 17.631 14.498 5.427 84 HB2 CYS 14 HB2 CYS 14 16.240 12.962 3.250 85 HB3 CYS 14 HB3 CYS 14 17.894 12.569 3.706 86 H LEU 15 H LEU 15 16.681 15.922 2.434 87 HA LEU 15 HA LEU 15 18.943 15.732 0.874 88 HB2 LEU 15 HB2 LEU 15 16.778 17.726 1.178 89 HB3 LEU 15 HB3 LEU 15 18.219 18.244 0.305 90 HG LEU 15 HG LEU 15 16.459 15.900 -0.417 91 HD11 LEU 15 HD11 LEU 15 16.828 18.546 -1.811 92 HD12 LEU 15 HD12 LEU 15 15.444 18.122 -0.804 93 HD13 LEU 15 HD13 LEU 15 15.756 17.231 -2.294 94 HD21 LEU 15 HD21 LEU 15 18.655 15.363 -1.100 95 HD22 LEU 15 HD22 LEU 15 18.973 17.011 -1.641 96 HD23 LEU 15 HD23 LEU 15 17.842 15.992 -2.534 97 H THR 16 H THR 16 18.226 18.255 3.285 98 HA THR 16 HA THR 16 20.532 19.748 3.079 99 HB THR 16 HB THR 16 19.260 19.141 5.744 100 HG1 THR 16 HG1 THR 16 18.344 21.163 3.985 101 HG21 THR 16 HG21 THR 16 20.507 21.645 4.601 102 HG22 THR 16 HG22 THR 16 21.270 20.551 5.755 103 HG23 THR 16 HG23 THR 16 19.838 21.467 6.222 104 H TYR 17 H TYR 17 20.068 16.635 4.587 105 HA TYR 17 HA TYR 17 22.658 16.677 5.884 106 HB2 TYR 17 HB2 TYR 17 20.578 15.519 6.801 107 HB3 TYR 17 HB3 TYR 17 20.842 14.290 5.569 108 HD1 TYR 17 HD1 TYR 17 23.337 16.097 7.663 109 HD2 TYR 17 HD2 TYR 17 21.466 12.385 6.758 110 HE1 TYR 17 HE1 TYR 17 24.914 14.945 9.158 111 HE2 TYR 17 HE2 TYR 17 23.037 11.222 8.251 112 HH TYR 17 HH TYR 17 24.663 11.459 9.757 113 H LEU 18 H LEU 18 21.128 15.120 3.107 114 HA LEU 18 HA LEU 18 23.413 13.549 2.420 115 HB2 LEU 18 HB2 LEU 18 21.035 14.350 0.749 116 HB3 LEU 18 HB3 LEU 18 22.213 13.109 0.330 117 HG LEU 18 HG LEU 18 20.240 13.022 2.610 118 HD11 LEU 18 HD11 LEU 18 20.446 11.418 0.066 119 HD12 LEU 18 HD12 LEU 18 19.229 12.640 0.433 120 HD13 LEU 18 HD13 LEU 18 19.285 11.144 1.365 121 HD21 LEU 18 HD21 LEU 18 21.411 10.509 2.181 122 HD22 LEU 18 HD22 LEU 18 21.595 11.560 3.586 123 HD23 LEU 18 HD23 LEU 18 22.742 11.665 2.249 124 H THR 19 H THR 19 22.805 16.814 2.214 125 HA THR 19 HA THR 19 24.353 17.223 -0.230 126 HB THR 19 HB THR 19 23.902 19.710 0.404 127 HG1 THR 19 HG1 THR 19 23.069 18.983 2.548 128 HG21 THR 19 HG21 THR 19 21.281 18.732 -0.236 129 HG22 THR 19 HG22 THR 19 22.496 17.787 -1.097 130 HG23 THR 19 HG23 THR 19 22.451 19.540 -1.278 131 H GLY 20 H GLY 20 24.821 17.032 3.122 132 HA2 GLY 20 HA2 GLY 20 27.109 16.944 3.923 133 HA3 GLY 20 HA3 GLY 20 27.489 18.253 2.813 134 H GLY 21 H GLY 21 24.513 18.503 4.509 135 HA2 GLY 21 HA2 GLY 21 25.615 20.743 6.039 136 HA3 GLY 21 HA3 GLY 21 23.911 20.425 5.748 137 HA PRO 22 HA PRO 22 24.936 19.191 10.109 138 HB2 PRO 22 HB2 PRO 22 22.836 20.498 11.229 139 HB3 PRO 22 HB3 PRO 22 24.396 21.271 10.922 140 HG2 PRO 22 HG2 PRO 22 21.873 21.389 9.314 141 HG3 PRO 22 HG3 PRO 22 22.995 22.697 9.733 142 HD2 PRO 22 HD2 PRO 22 23.010 21.485 7.312 143 HD3 PRO 22 HD3 PRO 22 24.483 22.124 8.069 144 H GLY 23 H GLY 23 24.081 17.427 11.081 145 HA2 GLY 23 HA2 GLY 23 21.475 16.654 11.352 146 HA3 GLY 23 HA3 GLY 23 21.930 16.048 9.767 147 HA PRO 24 HA PRO 24 20.953 14.249 9.678 148 HB2 PRO 24 HB2 PRO 24 19.582 12.208 10.828 149 HB3 PRO 24 HB3 PRO 24 20.953 11.952 9.742 150 HG2 PRO 24 HG2 PRO 24 20.874 11.905 12.734 151 HG3 PRO 24 HG3 PRO 24 21.705 10.805 11.619 152 HD2 PRO 24 HD2 PRO 24 22.989 12.799 12.926 153 HD3 PRO 24 HD3 PRO 24 23.470 12.253 11.307 154 H SER 25 H SER 25 19.206 15.512 9.800 155 HA SER 25 HA SER 25 18.430 16.782 12.191 156 HB2 SER 25 HB2 SER 25 16.313 17.288 10.625 157 HB3 SER 25 HB3 SER 25 17.863 18.100 10.407 158 HG SER 25 HG SER 25 16.669 16.883 8.561 159 HA PRO 26 HA PRO 26 15.389 14.190 13.999 160 HB2 PRO 26 HB2 PRO 26 13.413 15.926 14.674 161 HB3 PRO 26 HB3 PRO 26 14.968 15.868 15.511 162 HG2 PRO 26 HG2 PRO 26 14.038 17.743 13.371 163 HG3 PRO 26 HG3 PRO 26 14.945 18.098 14.853 164 HD2 PRO 26 HD2 PRO 26 16.134 17.902 12.429 165 HD3 PRO 26 HD3 PRO 26 16.951 17.435 13.934 166 H GLN 27 H GLN 27 14.130 16.409 11.545 167 HA GLN 27 HA GLN 27 11.714 14.953 11.112 168 HB2 GLN 27 HB2 GLN 27 13.131 17.073 9.499 169 HB3 GLN 27 HB3 GLN 27 11.589 16.373 9.022 170 HG2 GLN 27 HG2 GLN 27 10.481 17.722 10.379 171 HG3 GLN 27 HG3 GLN 27 11.483 17.255 11.752 172 HE21 GLN 27 HE21 GLN 27 10.374 19.869 10.859 173 HE22 GLN 27 HE22 GLN 27 11.735 20.931 10.791 174 H CYS 28 H CYS 28 14.916 14.943 9.673 175 HA CYS 28 HA CYS 28 14.314 13.387 7.401 176 HB2 CYS 28 HB2 CYS 28 16.381 14.561 7.415 177 HB3 CYS 28 HB3 CYS 28 16.865 13.837 8.945 178 H CYS 29 H CYS 29 15.720 12.436 10.536 179 HA CYS 29 HA CYS 29 15.839 9.694 10.064 180 HB2 CYS 29 HB2 CYS 29 15.808 11.428 12.472 181 HB3 CYS 29 HB3 CYS 29 15.427 9.728 12.723 182 H GLY 30 H GLY 30 13.223 11.641 11.468 183 HA2 GLY 30 HA2 GLY 30 11.467 9.647 12.212 184 HA3 GLY 30 HA3 GLY 30 10.968 11.226 11.624 185 H GLY 31 H GLY 31 11.657 11.218 9.016 186 HA2 GLY 31 HA2 GLY 31 9.623 9.619 7.854 187 HA3 GLY 31 HA3 GLY 31 10.802 10.585 6.979 188 H VAL 32 H VAL 32 13.134 9.292 7.999 189 HA VAL 32 HA VAL 32 13.474 7.260 6.128 190 HB VAL 32 HB VAL 32 15.006 7.714 8.692 191 HG11 VAL 32 HG11 VAL 32 15.736 6.094 6.254 192 HG12 VAL 32 HG12 VAL 32 16.811 6.448 7.609 193 HG13 VAL 32 HG13 VAL 32 15.370 5.461 7.858 194 HG21 VAL 32 HG21 VAL 32 16.289 8.442 6.191 195 HG22 VAL 32 HG22 VAL 32 14.796 9.340 6.466 196 HG23 VAL 32 HG23 VAL 32 16.084 9.380 7.670 197 H LYS 33 H LYS 33 13.076 6.927 9.657 198 HA LYS 33 HA LYS 33 12.967 4.133 9.711 199 HB2 LYS 33 HB2 LYS 33 11.984 6.284 11.554 200 HB3 LYS 33 HB3 LYS 33 11.589 4.602 11.880 201 HG2 LYS 33 HG2 LYS 33 13.918 4.029 12.030 202 HG3 LYS 33 HG3 LYS 33 14.388 5.658 11.538 203 HD2 LYS 33 HD2 LYS 33 13.834 6.577 13.570 204 HD3 LYS 33 HD3 LYS 33 12.636 5.331 13.928 205 HE2 LYS 33 HE2 LYS 33 15.120 4.023 13.736 206 HE3 LYS 33 HE3 LYS 33 15.396 5.476 14.696 207 HZ1 LYS 33 HZ1 LYS 33 13.022 4.347 15.591 208 HZ2 LYS 33 HZ2 LYS 33 14.500 4.428 16.409 209 HZ3 LYS 33 HZ3 LYS 33 14.133 3.077 15.460 210 H LYS 34 H LYS 34 10.623 6.462 8.744 211 HA LYS 34 HA LYS 34 8.317 4.803 9.097 212 HB2 LYS 34 HB2 LYS 34 8.396 7.363 8.940 213 HB3 LYS 34 HB3 LYS 34 8.524 7.134 7.201 214 HG2 LYS 34 HG2 LYS 34 6.372 5.543 8.006 215 HG3 LYS 34 HG3 LYS 34 6.202 7.062 8.889 216 HD2 LYS 34 HD2 LYS 34 6.871 7.920 6.377 217 HD3 LYS 34 HD3 LYS 34 5.887 6.495 6.035 218 HE2 LYS 34 HE2 LYS 34 4.477 7.779 8.024 219 HE3 LYS 34 HE3 LYS 34 5.108 9.111 7.056 220 HZ1 LYS 34 HZ1 LYS 34 2.858 7.949 6.454 221 HZ2 LYS 34 HZ2 LYS 34 3.871 6.848 5.667 222 HZ3 LYS 34 HZ3 LYS 34 3.908 8.485 5.241 223 H LEU 35 H LEU 35 10.515 5.524 6.439 224 HA LEU 35 HA LEU 35 9.052 4.224 4.406 225 HB2 LEU 35 HB2 LEU 35 10.966 5.845 4.128 226 HB3 LEU 35 HB3 LEU 35 12.045 4.511 4.532 227 HG LEU 35 HG LEU 35 10.126 4.300 2.236 228 HD11 LEU 35 HD11 LEU 35 12.838 5.608 2.246 229 HD12 LEU 35 HD12 LEU 35 11.299 6.316 1.754 230 HD13 LEU 35 HD13 LEU 35 12.028 5.033 0.788 231 HD21 LEU 35 HD21 LEU 35 12.003 2.818 1.416 232 HD22 LEU 35 HD22 LEU 35 11.113 2.235 2.823 233 HD23 LEU 35 HD23 LEU 35 12.705 2.968 3.028 234 H LEU 36 H LEU 36 11.810 3.115 6.369 235 HA LEU 36 HA LEU 36 11.888 0.506 5.314 236 HB2 LEU 36 HB2 LEU 36 12.977 1.864 7.719 237 HB3 LEU 36 HB3 LEU 36 12.955 0.102 7.712 238 HG LEU 36 HG LEU 36 14.116 1.348 5.311 239 HD11 LEU 36 HD11 LEU 36 14.810 2.697 7.467 240 HD12 LEU 36 HD12 LEU 36 15.988 2.278 6.224 241 HD13 LEU 36 HD13 LEU 36 15.885 1.317 7.699 242 HD21 LEU 36 HD21 LEU 36 15.913 -0.421 6.209 243 HD22 LEU 36 HD22 LEU 36 14.495 -0.883 5.266 244 HD23 LEU 36 HD23 LEU 36 14.474 -1.034 7.024 245 H ALA 37 H ALA 37 10.111 1.928 7.995 246 HA ALA 37 HA ALA 37 9.119 -0.565 8.993 247 HB1 ALA 37 HB1 ALA 37 9.257 1.200 10.554 248 HB2 ALA 37 HB2 ALA 37 8.356 2.297 9.508 249 HB3 ALA 37 HB3 ALA 37 7.537 0.936 10.272 250 H ALA 38 H ALA 38 8.154 1.661 6.527 251 HA ALA 38 HA ALA 38 5.445 0.647 6.361 252 HB1 ALA 38 HB1 ALA 38 5.866 3.000 5.896 253 HB2 ALA 38 HB2 ALA 38 6.931 2.557 4.561 254 HB3 ALA 38 HB3 ALA 38 5.209 2.188 4.475 255 H ALA 39 H ALA 39 8.385 -0.513 5.437 256 HA ALA 39 HA ALA 39 7.206 -2.005 3.184 257 HB1 ALA 39 HB1 ALA 39 9.322 -2.034 2.066 258 HB2 ALA 39 HB2 ALA 39 8.936 -0.361 2.469 259 HB3 ALA 39 HB3 ALA 39 10.113 -1.252 3.434 260 H ASN 40 H ASN 40 6.648 -3.841 4.277 261 HA ASN 40 HA ASN 40 8.714 -5.185 5.868 262 HB2 ASN 40 HB2 ASN 40 5.718 -5.469 5.729 263 HB3 ASN 40 HB3 ASN 40 6.724 -6.697 6.491 264 HD21 ASN 40 HD21 ASN 40 7.914 -6.149 8.353 265 HD22 ASN 40 HD22 ASN 40 7.460 -4.805 9.339 266 H THR 41 H THR 41 6.636 -5.583 3.065 267 HA THR 41 HA THR 41 7.551 -8.286 2.572 268 HB THR 41 HB THR 41 6.107 -8.277 0.645 269 HG1 THR 41 HG1 THR 41 5.878 -5.477 1.129 270 HG21 THR 41 HG21 THR 41 5.219 -8.007 3.207 271 HG22 THR 41 HG22 THR 41 4.190 -8.380 1.824 272 HG23 THR 41 HG23 THR 41 4.336 -6.717 2.393 273 H THR 42 H THR 42 7.967 -8.533 -0.032 274 HA THR 42 HA THR 42 10.542 -7.275 -0.401 275 HB THR 42 HB THR 42 9.072 -9.512 -1.686 276 HG1 THR 42 HG1 THR 42 11.857 -9.229 -1.235 277 HG21 THR 42 HG21 THR 42 9.516 -8.283 -3.669 278 HG22 THR 42 HG22 THR 42 10.784 -9.503 -3.550 279 HG23 THR 42 HG23 THR 42 11.125 -7.830 -3.111 280 HA PRO 43 HA PRO 43 8.006 -5.846 -4.453 281 HB2 PRO 43 HB2 PRO 43 5.455 -5.523 -2.941 282 HB3 PRO 43 HB3 PRO 43 5.713 -5.977 -4.629 283 HG2 PRO 43 HG2 PRO 43 5.061 -7.800 -2.776 284 HG3 PRO 43 HG3 PRO 43 6.169 -8.180 -4.107 285 HD2 PRO 43 HD2 PRO 43 6.734 -7.744 -1.240 286 HD3 PRO 43 HD3 PRO 43 7.593 -8.740 -2.433 287 H ASP 44 H ASP 44 7.278 -4.818 -1.144 288 HA ASP 44 HA ASP 44 6.892 -2.082 -1.709 289 HB2 ASP 44 HB2 ASP 44 7.420 -3.703 0.730 290 HB3 ASP 44 HB3 ASP 44 7.719 -1.970 0.832 291 H ARG 45 H ARG 45 9.763 -3.904 -0.696 292 HA ARG 45 HA ARG 45 11.529 -1.771 -0.415 293 HB2 ARG 45 HB2 ARG 45 11.827 -4.680 -0.994 294 HB3 ARG 45 HB3 ARG 45 13.230 -3.645 -1.227 295 HG2 ARG 45 HG2 ARG 45 13.546 -3.359 0.976 296 HG3 ARG 45 HG3 ARG 45 11.817 -3.267 1.319 297 HD2 ARG 45 HD2 ARG 45 11.939 -5.838 0.687 298 HD3 ARG 45 HD3 ARG 45 13.615 -5.630 1.193 299 HE ARG 45 HE ARG 45 11.730 -4.578 3.079 300 HH11 ARG 45 HH11 ARG 45 13.370 -7.453 1.999 301 HH12 ARG 45 HH12 ARG 45 13.236 -8.260 3.526 302 HH21 ARG 45 HH21 ARG 45 11.547 -5.631 5.094 303 HH22 ARG 45 HH22 ARG 45 12.198 -7.224 5.285 304 H GLN 46 H GLN 46 10.681 -3.654 -3.292 305 HA GLN 46 HA GLN 46 12.534 -2.554 -5.065 306 HB2 GLN 46 HB2 GLN 46 9.856 -3.845 -5.383 307 HB3 GLN 46 HB3 GLN 46 10.607 -3.081 -6.778 308 HG2 GLN 46 HG2 GLN 46 10.972 -5.607 -6.326 309 HG3 GLN 46 HG3 GLN 46 12.316 -4.606 -6.870 310 HE21 GLN 46 HE21 GLN 46 14.061 -4.356 -5.585 311 HE22 GLN 46 HE22 GLN 46 14.246 -5.103 -4.039 312 H ALA 47 H ALA 47 9.173 -1.559 -4.437 313 HA ALA 47 HA ALA 47 9.041 0.585 -6.190 314 HB1 ALA 47 HB1 ALA 47 7.714 0.831 -3.538 315 HB2 ALA 47 HB2 ALA 47 7.083 1.154 -5.153 316 HB3 ALA 47 HB3 ALA 47 7.258 -0.508 -4.591 317 H ALA 48 H ALA 48 9.840 0.709 -2.713 318 HA ALA 48 HA ALA 48 10.476 3.423 -2.605 319 HB1 ALA 48 HB1 ALA 48 11.876 1.387 -0.907 320 HB2 ALA 48 HB2 ALA 48 11.353 3.018 -0.484 321 HB3 ALA 48 HB3 ALA 48 10.160 1.736 -0.693 322 H CYS 49 H CYS 49 12.681 0.640 -2.950 323 HA CYS 49 HA CYS 49 15.082 1.947 -3.135 324 HB2 CYS 49 HB2 CYS 49 14.017 -0.585 -4.276 325 HB3 CYS 49 HB3 CYS 49 15.540 0.013 -4.927 326 H ASN 50 H ASN 50 12.622 1.587 -5.624 327 HA ASN 50 HA ASN 50 14.153 2.589 -7.778 328 HB2 ASN 50 HB2 ASN 50 11.154 2.587 -7.366 329 HB3 ASN 50 HB3 ASN 50 11.965 2.922 -8.894 330 HD21 ASN 50 HD21 ASN 50 10.073 0.814 -8.172 331 HD22 ASN 50 HD22 ASN 50 10.870 -0.678 -8.529 332 H CYS 51 H CYS 51 11.716 4.163 -5.708 333 HA CYS 51 HA CYS 51 12.037 6.739 -6.811 334 HB2 CYS 51 HB2 CYS 51 10.908 5.728 -4.211 335 HB3 CYS 51 HB3 CYS 51 11.004 7.452 -4.556 336 H LEU 52 H LEU 52 13.783 4.985 -4.366 337 HA LEU 52 HA LEU 52 15.111 7.255 -3.244 338 HB2 LEU 52 HB2 LEU 52 15.316 4.307 -3.004 339 HB3 LEU 52 HB3 LEU 52 16.727 5.257 -2.543 340 HG LEU 52 HG LEU 52 13.968 5.584 -1.367 341 HD11 LEU 52 HD11 LEU 52 14.813 4.458 0.582 342 HD12 LEU 52 HD12 LEU 52 16.403 4.281 -0.160 343 HD13 LEU 52 HD13 LEU 52 15.019 3.411 -0.822 344 HD21 LEU 52 HD21 LEU 52 16.322 7.215 -1.313 345 HD22 LEU 52 HD22 LEU 52 15.986 6.600 0.305 346 HD23 LEU 52 HD23 LEU 52 14.748 7.502 -0.570 347 H LYS 53 H LYS 53 16.284 4.577 -5.291 348 HA LYS 53 HA LYS 53 18.818 5.523 -5.813 349 HB2 LYS 53 HB2 LYS 53 17.515 3.335 -6.567 350 HB3 LYS 53 HB3 LYS 53 17.316 4.253 -8.055 351 HG2 LYS 53 HG2 LYS 53 19.515 4.129 -8.592 352 HG3 LYS 53 HG3 LYS 53 20.041 4.113 -6.907 353 HD2 LYS 53 HD2 LYS 53 20.485 1.963 -7.933 354 HD3 LYS 53 HD3 LYS 53 19.231 1.794 -6.702 355 HE2 LYS 53 HE2 LYS 53 18.775 0.555 -8.823 356 HE3 LYS 53 HE3 LYS 53 17.516 1.700 -8.361 357 HZ1 LYS 53 HZ1 LYS 53 19.652 2.532 -10.207 358 HZ2 LYS 53 HZ2 LYS 53 18.081 3.138 -10.050 359 HZ3 LYS 53 HZ3 LYS 53 18.339 1.639 -10.789 360 H SER 54 H SER 54 15.791 6.338 -7.445 361 HA SER 54 HA SER 54 17.043 7.997 -9.414 362 HB2 SER 54 HB2 SER 54 14.773 6.819 -9.603 363 HB3 SER 54 HB3 SER 54 14.139 8.127 -8.604 364 HG SER 54 HG SER 54 13.869 8.820 -10.654 365 H ALA 55 H ALA 55 15.806 8.453 -6.202 366 HA ALA 55 HA ALA 55 15.579 11.299 -6.336 367 HB1 ALA 55 HB1 ALA 55 15.543 11.078 -3.799 368 HB2 ALA 55 HB2 ALA 55 14.258 10.266 -4.694 369 HB3 ALA 55 HB3 ALA 55 15.617 9.336 -4.064 370 H ALA 56 H ALA 56 17.966 9.105 -4.855 371 HA ALA 56 HA ALA 56 19.732 11.141 -4.017 372 HB1 ALA 56 HB1 ALA 56 21.241 9.428 -3.467 373 HB2 ALA 56 HB2 ALA 56 19.642 8.720 -3.235 374 HB3 ALA 56 HB3 ALA 56 20.575 8.335 -4.681 375 H GLY 57 H GLY 57 19.044 9.902 -7.102 376 HA2 GLY 57 HA2 GLY 57 21.605 10.210 -8.312 377 HA3 GLY 57 HA3 GLY 57 20.066 10.103 -9.154 378 H SER 58 H SER 58 19.448 12.490 -7.129 379 HA SER 58 HA SER 58 20.422 14.544 -9.000 380 HB2 SER 58 HB2 SER 58 17.898 14.290 -7.398 381 HB3 SER 58 HB3 SER 58 18.474 15.885 -7.880 382 HG SER 58 HG SER 58 18.091 15.424 -9.940 383 H ILE 59 H ILE 59 21.715 13.371 -6.532 384 HA ILE 59 HA ILE 59 21.853 15.740 -4.817 385 HB ILE 59 HB ILE 59 23.187 13.074 -4.360 386 HG12 ILE 59 HG12 ILE 59 20.731 12.818 -4.540 387 HG13 ILE 59 HG13 ILE 59 21.316 12.504 -2.910 388 HG21 ILE 59 HG21 ILE 59 22.747 15.530 -2.709 389 HG22 ILE 59 HG22 ILE 59 22.960 13.958 -1.941 390 HG23 ILE 59 HG23 ILE 59 24.230 14.614 -2.974 391 HD11 ILE 59 HD11 ILE 59 20.524 14.616 -2.147 392 HD12 ILE 59 HD12 ILE 59 20.132 15.122 -3.790 393 HD13 ILE 59 HD13 ILE 59 19.216 13.824 -3.025 394 H THR 60 H THR 60 23.370 17.196 -5.207 395 HA THR 60 HA THR 60 25.523 16.765 -7.003 396 HB THR 60 HB THR 60 24.659 18.988 -6.810 397 HG1 THR 60 HG1 THR 60 26.641 20.110 -6.230 398 HG21 THR 60 HG21 THR 60 24.598 18.401 -4.027 399 HG22 THR 60 HG22 THR 60 23.928 19.799 -4.869 400 HG23 THR 60 HG23 THR 60 25.583 19.844 -4.263 401 H LYS 61 H LYS 61 27.252 15.572 -6.573 402 HA LYS 61 HA LYS 61 29.026 14.629 -5.505 403 HB2 LYS 61 HB2 LYS 61 28.785 17.286 -4.138 404 HB3 LYS 61 HB3 LYS 61 29.961 16.112 -3.562 405 HG2 LYS 61 HG2 LYS 61 30.198 16.303 -6.388 406 HG3 LYS 61 HG3 LYS 61 30.196 17.933 -5.709 407 HD2 LYS 61 HD2 LYS 61 32.445 17.334 -5.655 408 HD3 LYS 61 HD3 LYS 61 31.896 16.987 -4.014 409 HE2 LYS 61 HE2 LYS 61 31.545 14.617 -4.717 410 HE3 LYS 61 HE3 LYS 61 32.293 15.018 -6.262 411 HZ1 LYS 61 HZ1 LYS 61 33.869 14.028 -4.705 412 HZ2 LYS 61 HZ2 LYS 61 33.601 15.288 -3.609 413 HZ3 LYS 61 HZ3 LYS 61 34.316 15.609 -5.109 414 H LEU 62 H LEU 62 26.803 13.394 -4.799 415 HA LEU 62 HA LEU 62 25.938 13.379 -2.182 416 HB2 LEU 62 HB2 LEU 62 24.844 12.072 -3.873 417 HB3 LEU 62 HB3 LEU 62 26.283 11.079 -4.096 418 HG LEU 62 HG LEU 62 25.825 10.546 -1.524 419 HD11 LEU 62 HD11 LEU 62 23.606 12.076 -2.135 420 HD12 LEU 62 HD12 LEU 62 23.785 10.991 -0.757 421 HD13 LEU 62 HD13 LEU 62 23.018 10.416 -2.237 422 HD21 LEU 62 HD21 LEU 62 25.811 8.587 -2.580 423 HD22 LEU 62 HD22 LEU 62 25.177 9.307 -4.061 424 HD23 LEU 62 HD23 LEU 62 24.073 8.804 -2.780 425 H ASN 63 H ASN 63 26.615 12.492 -0.281 426 HA ASN 63 HA ASN 63 29.353 11.411 -0.261 427 HB2 ASN 63 HB2 ASN 63 28.601 13.610 1.014 428 HB3 ASN 63 HB3 ASN 63 28.055 12.449 2.220 429 HD21 ASN 63 HD21 ASN 63 30.351 14.475 1.911 430 HD22 ASN 63 HD22 ASN 63 31.729 13.590 2.459 431 H THR 64 H THR 64 29.169 9.247 -0.305 432 HA THR 64 HA THR 64 27.088 7.693 0.660 433 HB THR 64 HB THR 64 28.817 5.830 0.790 434 HG1 THR 64 HG1 THR 64 30.863 6.411 -0.167 435 HG21 THR 64 HG21 THR 64 29.352 6.710 -1.863 436 HG22 THR 64 HG22 THR 64 27.715 7.206 -1.436 437 HG23 THR 64 HG23 THR 64 28.182 5.509 -1.319 438 H ASN 65 H ASN 65 29.784 9.106 2.359 439 HA ASN 65 HA ASN 65 29.606 7.516 4.706 440 HB2 ASN 65 HB2 ASN 65 30.837 10.206 4.124 441 HB3 ASN 65 HB3 ASN 65 30.879 9.489 5.732 442 HD21 ASN 65 HD21 ASN 65 31.931 7.430 5.973 443 HD22 ASN 65 HD22 ASN 65 33.226 7.002 4.913 444 H ASN 66 H ASN 66 28.256 10.657 3.780 445 HA ASN 66 HA ASN 66 26.989 11.113 6.298 446 HB2 ASN 66 HB2 ASN 66 26.520 12.371 3.586 447 HB3 ASN 66 HB3 ASN 66 25.809 12.943 5.092 448 HD21 ASN 66 HD21 ASN 66 26.927 14.929 4.367 449 HD22 ASN 66 HD22 ASN 66 28.571 15.151 4.851 450 H ALA 67 H ALA 67 25.941 9.830 3.178 451 HA ALA 67 HA ALA 67 23.193 9.631 3.790 452 HB1 ALA 67 HB1 ALA 67 24.993 8.524 1.714 453 HB2 ALA 67 HB2 ALA 67 23.444 7.716 1.960 454 HB3 ALA 67 HB3 ALA 67 23.488 9.430 1.548 455 H ALA 68 H ALA 68 25.880 7.350 4.133 456 HA ALA 68 HA ALA 68 24.224 5.227 5.113 457 HB1 ALA 68 HB1 ALA 68 26.171 4.506 4.041 458 HB2 ALA 68 HB2 ALA 68 27.190 5.637 4.932 459 HB3 ALA 68 HB3 ALA 68 26.497 4.239 5.754 460 H ALA 69 H ALA 69 25.781 7.963 6.504 461 HA ALA 69 HA ALA 69 25.956 6.948 9.176 462 HB1 ALA 69 HB1 ALA 69 26.318 9.374 9.753 463 HB2 ALA 69 HB2 ALA 69 27.460 8.685 8.598 464 HB3 ALA 69 HB3 ALA 69 26.152 9.724 8.032 465 H LEU 70 H LEU 70 23.583 8.749 7.320 466 HA LEU 70 HA LEU 70 21.948 9.755 9.288 467 HB2 LEU 70 HB2 LEU 70 21.234 10.380 7.222 468 HB3 LEU 70 HB3 LEU 70 21.529 8.791 6.520 469 HG LEU 70 HG LEU 70 19.465 7.953 7.491 470 HD11 LEU 70 HD11 LEU 70 18.949 8.970 9.442 471 HD12 LEU 70 HD12 LEU 70 17.967 9.980 8.383 472 HD13 LEU 70 HD13 LEU 70 19.552 10.540 8.914 473 HD21 LEU 70 HD21 LEU 70 17.908 9.749 6.341 474 HD22 LEU 70 HD22 LEU 70 18.969 8.706 5.393 475 HD23 LEU 70 HD23 LEU 70 19.453 10.364 5.752 476 HA PRO 71 HA PRO 71 19.561 5.554 9.488 477 HB2 PRO 71 HB2 PRO 71 20.725 3.411 8.295 478 HB3 PRO 71 HB3 PRO 71 19.608 4.491 7.452 479 HG2 PRO 71 HG2 PRO 71 22.601 4.444 7.399 480 HG3 PRO 71 HG3 PRO 71 21.461 4.654 6.056 481 HD2 PRO 71 HD2 PRO 71 22.755 6.735 7.208 482 HD3 PRO 71 HD3 PRO 71 21.122 6.885 6.528 483 H GLY 72 H GLY 72 23.067 4.911 9.231 484 HA2 GLY 72 HA2 GLY 72 23.240 3.056 11.312 485 HA3 GLY 72 HA3 GLY 72 24.564 4.065 10.749 486 H LYS 73 H LYS 73 23.017 6.527 11.417 487 HA LYS 73 HA LYS 73 23.944 6.773 14.122 488 HB2 LYS 73 HB2 LYS 73 22.641 8.630 12.157 489 HB3 LYS 73 HB3 LYS 73 22.808 9.098 13.844 490 HG2 LYS 73 HG2 LYS 73 25.311 8.099 12.916 491 HG3 LYS 73 HG3 LYS 73 24.710 9.304 11.774 492 HD2 LYS 73 HD2 LYS 73 24.197 10.647 13.984 493 HD3 LYS 73 HD3 LYS 73 25.460 9.604 14.643 494 HE2 LYS 73 HE2 LYS 73 26.999 10.351 12.911 495 HE3 LYS 73 HE3 LYS 73 25.735 11.351 12.198 496 HZ1 LYS 73 HZ1 LYS 73 26.430 11.762 15.017 497 HZ2 LYS 73 HZ2 LYS 73 25.863 12.874 13.876 498 HZ3 LYS 73 HZ3 LYS 73 27.476 12.366 13.833 499 H CYS 74 H CYS 74 20.763 6.907 12.538 500 HA CYS 74 HA CYS 74 19.399 7.022 15.088 501 HB2 CYS 74 HB2 CYS 74 18.617 7.207 12.226 502 HB3 CYS 74 HB3 CYS 74 17.393 6.630 13.352 503 H GLY 75 H GLY 75 20.928 4.607 13.589 504 HA2 GLY 75 HA2 GLY 75 20.848 2.321 13.784 505 HA3 GLY 75 HA3 GLY 75 19.679 2.563 15.074 506 H VAL 76 H VAL 76 19.307 3.575 11.717 507 HA VAL 76 HA VAL 76 17.357 1.432 11.278 508 HB VAL 76 HB VAL 76 15.966 3.237 12.012 509 HG11 VAL 76 HG11 VAL 76 17.882 4.855 10.529 510 HG12 VAL 76 HG12 VAL 76 16.205 5.318 10.234 511 HG13 VAL 76 HG13 VAL 76 16.837 5.291 11.881 512 HG21 VAL 76 HG21 VAL 76 15.498 3.704 9.169 513 HG22 VAL 76 HG22 VAL 76 15.699 2.000 9.578 514 HG23 VAL 76 HG23 VAL 76 14.457 2.959 10.382 515 H ASN 77 H ASN 77 19.037 0.601 9.902 516 HA ASN 77 HA ASN 77 19.461 2.132 7.429 517 HB2 ASN 77 HB2 ASN 77 21.253 0.259 7.090 518 HB3 ASN 77 HB3 ASN 77 21.580 1.582 8.206 519 HD21 ASN 77 HD21 ASN 77 20.917 -1.791 7.873 520 HD22 ASN 77 HD22 ASN 77 21.239 -2.232 9.513 521 H ILE 78 H ILE 78 19.852 0.533 5.490 522 HA ILE 78 HA ILE 78 17.537 -1.287 5.428 523 HB ILE 78 HB ILE 78 17.731 -0.985 2.900 524 HG12 ILE 78 HG12 ILE 78 20.062 0.190 3.337 525 HG13 ILE 78 HG13 ILE 78 19.036 0.680 1.993 526 HG21 ILE 78 HG21 ILE 78 16.657 1.372 3.093 527 HG22 ILE 78 HG22 ILE 78 15.864 -0.009 3.848 528 HG23 ILE 78 HG23 ILE 78 16.816 1.105 4.829 529 HD11 ILE 78 HD11 ILE 78 20.117 2.453 3.572 530 HD12 ILE 78 HD12 ILE 78 18.470 2.666 2.976 531 HD13 ILE 78 HD13 ILE 78 18.745 2.063 4.610 532 HA PRO 79 HA PRO 79 20.108 -4.746 4.595 533 HB2 PRO 79 HB2 PRO 79 18.568 -6.170 2.873 534 HB3 PRO 79 HB3 PRO 79 18.199 -6.024 4.595 535 HG2 PRO 79 HG2 PRO 79 17.040 -4.527 2.277 536 HG3 PRO 79 HG3 PRO 79 16.216 -5.218 3.687 537 HD2 PRO 79 HD2 PRO 79 16.807 -2.583 3.491 538 HD3 PRO 79 HD3 PRO 79 16.781 -3.443 5.044 539 H TYR 80 H TYR 80 19.321 -2.516 2.172 540 HA TYR 80 HA TYR 80 21.193 -3.782 0.282 541 HB2 TYR 80 HB2 TYR 80 19.207 -1.633 -0.435 542 HB3 TYR 80 HB3 TYR 80 20.062 -2.732 -1.512 543 HD1 TYR 80 HD2 TYR 80 19.605 -5.351 -0.606 544 HD2 TYR 80 HD1 TYR 80 16.943 -2.037 -0.410 545 HE1 TYR 80 HE2 TYR 80 17.694 -6.897 -0.553 546 HE2 TYR 80 HE1 TYR 80 15.024 -3.575 -0.354 547 HH TYR 80 HH TYR 80 15.233 -6.804 -1.156 548 H LYS 81 H LYS 81 21.817 -1.678 -1.314 549 HA LYS 81 HA LYS 81 23.337 0.050 0.514 550 HB2 LYS 81 HB2 LYS 81 23.842 -0.536 -2.409 551 HB3 LYS 81 HB3 LYS 81 24.880 0.404 -1.345 552 HG2 LYS 81 HG2 LYS 81 24.344 -2.233 -0.276 553 HG3 LYS 81 HG3 LYS 81 25.077 -2.299 -1.881 554 HD2 LYS 81 HD2 LYS 81 26.984 -1.141 -1.184 555 HD3 LYS 81 HD3 LYS 81 26.189 -0.518 0.263 556 HE2 LYS 81 HE2 LYS 81 27.110 -2.199 1.390 557 HE3 LYS 81 HE3 LYS 81 26.052 -3.292 0.499 558 HZ1 LYS 81 HZ1 LYS 81 28.057 -4.180 -0.027 559 HZ2 LYS 81 HZ2 LYS 81 28.888 -2.712 0.097 560 HZ3 LYS 81 HZ3 LYS 81 27.959 -3.045 -1.277 561 H ILE 82 H ILE 82 23.935 2.226 -0.676 562 HA ILE 82 HA ILE 82 21.516 3.324 -1.937 563 HB ILE 82 HB ILE 82 23.104 4.804 0.157 564 HG12 ILE 82 HG12 ILE 82 21.976 2.882 1.184 565 HG13 ILE 82 HG13 ILE 82 21.218 4.392 1.677 566 HG21 ILE 82 HG21 ILE 82 20.372 5.397 -0.960 567 HG22 ILE 82 HG22 ILE 82 21.358 6.423 0.079 568 HG23 ILE 82 HG23 ILE 82 21.860 6.110 -1.582 569 HD11 ILE 82 HD11 ILE 82 19.259 3.721 0.907 570 HD12 ILE 82 HD12 ILE 82 19.945 3.351 -0.675 571 HD13 ILE 82 HD13 ILE 82 19.981 2.141 0.607 572 H SER 83 H SER 83 22.334 3.561 -3.961 573 HA SER 83 HA SER 83 23.971 5.774 -4.529 574 HB2 SER 83 HB2 SER 83 26.050 4.897 -5.039 575 HB3 SER 83 HB3 SER 83 25.607 3.896 -3.656 576 HG SER 83 HG SER 83 26.063 2.362 -5.051 577 H THR 84 H THR 84 24.938 5.319 -6.970 578 HA THR 84 HA THR 84 22.548 4.945 -8.536 579 HB THR 84 HB THR 84 24.139 5.432 -10.477 580 HG1 THR 84 HG1 THR 84 26.180 6.110 -9.963 581 HG21 THR 84 HG21 THR 84 23.576 7.332 -8.225 582 HG22 THR 84 HG22 THR 84 22.811 7.229 -9.810 583 HG23 THR 84 HG23 THR 84 24.448 7.868 -9.661 584 H THR 85 H THR 85 24.666 2.812 -7.267 585 HA THR 85 HA THR 85 24.276 0.915 -9.488 586 HB THR 85 HB THR 85 26.400 -0.101 -9.092 587 HG1 THR 85 HG1 THR 85 26.562 1.661 -6.859 588 HG21 THR 85 HG21 THR 85 27.930 1.665 -9.671 589 HG22 THR 85 HG22 THR 85 26.845 2.883 -9.000 590 HG23 THR 85 HG23 THR 85 26.381 1.990 -10.447 591 H THR 86 H THR 86 22.377 1.086 -7.570 592 HA THR 86 HA THR 86 22.899 -1.249 -5.846 593 HB THR 86 HB THR 86 21.097 1.123 -5.342 594 HG1 THR 86 HG1 THR 86 23.027 1.679 -4.560 595 HG21 THR 86 HG21 THR 86 21.136 -0.445 -3.054 596 HG22 THR 86 HG22 THR 86 20.924 -1.606 -4.366 597 HG23 THR 86 HG23 THR 86 19.790 -0.269 -4.179 598 H ASN 87 H ASN 87 21.823 -3.011 -6.417 599 HA ASN 87 HA ASN 87 19.269 -2.697 -7.853 600 HB2 ASN 87 HB2 ASN 87 21.348 -3.792 -9.000 601 HB3 ASN 87 HB3 ASN 87 20.927 -5.192 -8.017 602 HD21 ASN 87 HD21 ASN 87 20.911 -5.362 -10.732 603 HD22 ASN 87 HD22 ASN 87 19.287 -5.512 -11.303 604 H CYS 88 H CYS 88 17.838 -2.811 -6.179 605 HA CYS 88 HA CYS 88 18.082 -4.774 -4.094 606 HB2 CYS 88 HB2 CYS 88 15.649 -3.108 -4.740 607 HB3 CYS 88 HB3 CYS 88 16.076 -3.837 -3.195 608 H ASN 89 H ASN 89 16.922 -4.818 -7.254 609 HA ASN 89 HA ASN 89 14.813 -6.739 -6.857 610 HB2 ASN 89 HB2 ASN 89 16.136 -6.205 -9.502 611 HB3 ASN 89 HB3 ASN 89 14.459 -6.625 -9.169 612 HD21 ASN 89 HD21 ASN 89 15.781 -4.365 -10.626 613 HD22 ASN 89 HD22 ASN 89 15.077 -2.941 -9.948 614 H THR 90 H THR 90 18.196 -6.790 -7.824 615 HA THR 90 HA THR 90 18.108 -9.685 -8.204 616 HB THR 90 HB THR 90 20.602 -9.306 -8.761 617 HG1 THR 90 HG1 THR 90 21.145 -7.193 -9.276 618 HG21 THR 90 HG21 THR 90 19.504 -9.783 -10.679 619 HG22 THR 90 HG22 THR 90 19.714 -8.060 -10.994 620 HG23 THR 90 HG23 THR 90 18.193 -8.657 -10.330 621 H VAL 91 H VAL 91 17.609 -8.948 -5.596 622 HA VAL 91 HA VAL 91 20.090 -9.178 -4.097 623 HB VAL 91 HB VAL 91 17.231 -8.990 -3.138 624 HG11 VAL 91 HG11 VAL 91 17.967 -9.593 -1.134 625 HG12 VAL 91 HG12 VAL 91 19.604 -9.779 -1.765 626 HG13 VAL 91 HG13 VAL 91 19.070 -8.218 -1.141 627 HG21 VAL 91 HG21 VAL 91 18.558 -7.018 -4.327 628 HG22 VAL 91 HG22 VAL 91 17.481 -6.733 -2.959 629 HG23 VAL 91 HG23 VAL 91 19.223 -6.835 -2.704 630 H LYS 92 H LYS 92 20.886 -11.016 -3.305 631 HA LYS 92 HA LYS 92 19.426 -13.488 -3.757 632 HB2 LYS 92 HB2 LYS 92 22.258 -12.822 -3.009 633 HB3 LYS 92 HB3 LYS 92 21.647 -14.461 -2.828 634 HG2 LYS 92 HG2 LYS 92 21.286 -14.694 -5.142 635 HG3 LYS 92 HG3 LYS 92 21.474 -12.961 -5.423 636 HD2 LYS 92 HD2 LYS 92 23.814 -13.067 -4.952 637 HD3 LYS 92 HD3 LYS 92 23.680 -14.733 -4.384 638 HE2 LYS 92 HE2 LYS 92 22.750 -14.195 -7.138 639 HE3 LYS 92 HE3 LYS 92 24.486 -14.072 -6.858 640 HZ1 LYS 92 HZ1 LYS 92 22.757 -16.427 -6.339 641 HZ2 LYS 92 HZ2 LYS 92 24.374 -16.321 -5.854 642 HZ3 LYS 92 HZ3 LYS 92 23.981 -16.295 -7.500 643 H PHE 93 H PHE 93 17.944 -13.923 -2.237 644 HA PHE 93 HA PHE 93 16.976 -14.294 -0.209 645 HB2 PHE 93 HB2 PHE 93 19.789 -15.215 0.095 646 HB3 PHE 93 HB3 PHE 93 18.818 -15.087 1.558 647 HD1 PHE 93 HD1 PHE 93 18.322 -16.331 -1.929 648 HD2 PHE 93 HD2 PHE 93 17.865 -17.048 2.241 649 HE1 PHE 93 HE1 PHE 93 17.306 -18.518 -2.420 650 HE2 PHE 93 HE2 PHE 93 16.850 -19.236 1.758 651 HZ PHE 93 HZ PHE 93 16.569 -19.974 -0.575 Start of MODEL 14 1 H1 ALA 1 H ALA 1 1.878 -0.062 1.065 2 HA ALA 1 HA ALA 1 2.882 -0.578 -0.942 3 HB1 ALA 1 HB1 ALA 1 0.475 0.835 -2.053 4 HB2 ALA 1 HB2 ALA 1 1.797 0.275 -3.078 5 HB3 ALA 1 HB3 ALA 1 0.871 -0.882 -2.121 6 H ILE 2 H ILE 2 4.760 0.387 -1.308 7 HA ILE 2 HA ILE 2 5.100 3.205 -0.905 8 HB ILE 2 HB ILE 2 7.053 1.123 -1.892 9 HG12 ILE 2 HG12 ILE 2 7.956 1.694 0.526 10 HG13 ILE 2 HG13 ILE 2 6.283 2.165 0.804 11 HG21 ILE 2 HG21 ILE 2 8.499 3.188 -0.784 12 HG22 ILE 2 HG22 ILE 2 8.296 2.871 -2.506 13 HG23 ILE 2 HG23 ILE 2 7.234 4.018 -1.690 14 HD11 ILE 2 HD11 ILE 2 5.499 -0.005 0.451 15 HD12 ILE 2 HD12 ILE 2 7.001 -0.517 -0.320 16 HD13 ILE 2 HD13 ILE 2 6.961 -0.206 1.415 17 H SER 3 H SER 3 4.654 4.689 -2.380 18 HA SER 3 HA SER 3 4.619 3.966 -5.208 19 HB2 SER 3 HB2 SER 3 2.664 5.147 -4.436 20 HB3 SER 3 HB3 SER 3 3.655 6.426 -3.733 21 HG SER 3 HG SER 3 2.754 6.974 -5.795 22 H CYS 4 H CYS 4 5.559 7.006 -3.625 23 HA CYS 4 HA CYS 4 8.285 6.904 -4.301 24 HB2 CYS 4 HB2 CYS 4 6.775 7.292 -6.555 25 HB3 CYS 4 HB3 CYS 4 7.135 8.947 -6.074 26 H GLY 5 H GLY 5 5.556 9.196 -4.182 27 HA2 GLY 5 HA2 GLY 5 6.916 11.403 -3.190 28 HA3 GLY 5 HA3 GLY 5 5.217 11.064 -2.893 29 H ALA 6 H ALA 6 5.448 8.722 -1.393 30 HA ALA 6 HA ALA 6 5.926 9.776 1.180 31 HB1 ALA 6 HB1 ALA 6 5.294 7.673 2.019 32 HB2 ALA 6 HB2 ALA 6 4.364 7.876 0.533 33 HB3 ALA 6 HB3 ALA 6 5.793 6.843 0.545 34 H VAL 7 H VAL 7 7.983 8.240 -1.116 35 HA VAL 7 HA VAL 7 9.967 7.347 0.754 36 HB VAL 7 HB VAL 7 10.216 7.793 -2.224 37 HG11 VAL 7 HG11 VAL 7 12.349 7.199 -2.049 38 HG12 VAL 7 HG12 VAL 7 12.186 7.267 -0.293 39 HG13 VAL 7 HG13 VAL 7 11.913 5.748 -1.148 40 HG21 VAL 7 HG21 VAL 7 9.212 5.515 -0.582 41 HG22 VAL 7 HG22 VAL 7 8.601 6.160 -2.106 42 HG23 VAL 7 HG23 VAL 7 10.067 5.180 -2.088 43 H THR 8 H THR 8 9.740 10.060 -1.536 44 HA THR 8 HA THR 8 12.217 11.229 -0.858 45 HB THR 8 HB THR 8 9.843 12.786 -1.868 46 HG1 THR 8 HG1 THR 8 11.446 10.866 -3.183 47 HG21 THR 8 HG21 THR 8 11.919 13.707 -3.252 48 HG22 THR 8 HG22 THR 8 12.797 13.115 -1.841 49 HG23 THR 8 HG23 THR 8 11.523 14.319 -1.646 50 H SER 9 H SER 9 9.297 11.055 0.846 51 HA SER 9 HA SER 9 9.131 13.486 2.169 52 HB2 SER 9 HB2 SER 9 7.649 12.452 3.600 53 HB3 SER 9 HB3 SER 9 7.654 11.284 2.279 54 HG SER 9 HG SER 9 8.149 10.737 4.728 55 H ASP 10 H ASP 10 11.126 10.663 2.906 56 HA ASP 10 HA ASP 10 12.226 11.820 5.293 57 HB2 ASP 10 HB2 ASP 10 13.566 9.573 3.845 58 HB3 ASP 10 HB3 ASP 10 13.358 9.822 5.576 59 H LEU 11 H LEU 11 13.058 11.741 1.915 60 HA LEU 11 HA LEU 11 15.777 12.536 2.214 61 HB2 LEU 11 HB2 LEU 11 13.895 12.740 -0.130 62 HB3 LEU 11 HB3 LEU 11 15.621 13.088 -0.202 63 HG LEU 11 HG LEU 11 14.584 10.396 0.637 64 HD11 LEU 11 HD11 LEU 11 14.096 9.792 -1.447 65 HD12 LEU 11 HD12 LEU 11 15.555 10.545 -2.089 66 HD13 LEU 11 HD13 LEU 11 14.099 11.510 -1.848 67 HD21 LEU 11 HD21 LEU 11 16.839 9.746 -0.303 68 HD22 LEU 11 HD22 LEU 11 16.863 10.696 1.183 69 HD23 LEU 11 HD23 LEU 11 17.210 11.469 -0.365 70 H SER 12 H SER 12 12.730 14.231 1.952 71 HA SER 12 HA SER 12 13.538 16.770 1.242 72 HB2 SER 12 HB2 SER 12 11.303 15.676 2.872 73 HB3 SER 12 HB3 SER 12 11.612 17.408 2.991 74 HG SER 12 HG SER 12 11.411 17.522 0.718 75 HA PRO 13 HA PRO 13 14.403 17.808 5.881 76 HB2 PRO 13 HB2 PRO 13 14.468 15.732 7.629 77 HB3 PRO 13 HB3 PRO 13 12.991 16.627 7.256 78 HG2 PRO 13 HG2 PRO 13 13.934 13.996 6.183 79 HG3 PRO 13 HG3 PRO 13 12.309 14.472 6.709 80 HD2 PRO 13 HD2 PRO 13 13.028 14.383 4.100 81 HD3 PRO 13 HD3 PRO 13 11.846 15.551 4.725 82 H CYS 14 H CYS 14 15.594 14.735 4.640 83 HA CYS 14 HA CYS 14 18.166 15.018 5.930 84 HB2 CYS 14 HB2 CYS 14 16.791 12.964 4.308 85 HB3 CYS 14 HB3 CYS 14 18.541 13.030 4.124 86 H LEU 15 H LEU 15 16.804 16.569 3.422 87 HA LEU 15 HA LEU 15 18.521 16.448 1.272 88 HB2 LEU 15 HB2 LEU 15 16.788 18.552 2.435 89 HB3 LEU 15 HB3 LEU 15 17.971 19.056 1.230 90 HG LEU 15 HG LEU 15 15.792 17.008 0.825 91 HD11 LEU 15 HD11 LEU 15 16.086 19.776 -0.327 92 HD12 LEU 15 HD12 LEU 15 15.006 19.346 0.998 93 HD13 LEU 15 HD13 LEU 15 14.760 18.647 -0.602 94 HD21 LEU 15 HD21 LEU 15 18.202 17.688 -0.687 95 HD22 LEU 15 HD22 LEU 15 16.718 17.729 -1.639 96 HD23 LEU 15 HD23 LEU 15 17.171 16.260 -0.773 97 H THR 16 H THR 16 18.755 18.753 3.986 98 HA THR 16 HA THR 16 21.204 19.877 3.260 99 HB THR 16 HB THR 16 20.206 19.520 6.091 100 HG1 THR 16 HG1 THR 16 19.086 21.449 5.747 101 HG21 THR 16 HG21 THR 16 22.099 21.478 4.795 102 HG22 THR 16 HG22 THR 16 22.457 20.321 6.077 103 HG23 THR 16 HG23 THR 16 21.412 21.704 6.402 104 H TYR 17 H TYR 17 20.495 16.794 4.567 105 HA TYR 17 HA TYR 17 23.144 16.374 5.669 106 HB2 TYR 17 HB2 TYR 17 21.022 15.377 6.639 107 HB3 TYR 17 HB3 TYR 17 20.990 14.301 5.246 108 HD1 TYR 17 HD1 TYR 17 23.902 15.444 7.268 109 HD2 TYR 17 HD2 TYR 17 21.414 12.185 6.129 110 HE1 TYR 17 HE1 TYR 17 25.408 13.892 8.441 111 HE2 TYR 17 HE2 TYR 17 22.912 10.625 7.299 112 HH TYR 17 HH TYR 17 25.849 11.775 8.935 113 H LEU 18 H LEU 18 21.237 15.278 2.896 114 HA LEU 18 HA LEU 18 23.309 13.595 1.865 115 HB2 LEU 18 HB2 LEU 18 20.820 14.695 0.570 116 HB3 LEU 18 HB3 LEU 18 21.878 13.483 -0.150 117 HG LEU 18 HG LEU 18 20.362 13.091 2.427 118 HD11 LEU 18 HD11 LEU 18 19.685 12.133 -0.350 119 HD12 LEU 18 HD12 LEU 18 18.819 13.375 0.553 120 HD13 LEU 18 HD13 LEU 18 18.831 11.710 1.134 121 HD21 LEU 18 HD21 LEU 18 21.119 10.733 0.949 122 HD22 LEU 18 HD22 LEU 18 21.454 11.165 2.625 123 HD23 LEU 18 HD23 LEU 18 22.529 11.717 1.340 124 H THR 19 H THR 19 22.926 16.904 1.971 125 HA THR 19 HA THR 19 24.275 17.409 -0.571 126 HB THR 19 HB THR 19 24.059 19.855 0.242 127 HG1 THR 19 HG1 THR 19 22.085 18.655 1.909 128 HG21 THR 19 HG21 THR 19 22.346 19.924 -1.189 129 HG22 THR 19 HG22 THR 19 21.310 19.019 -0.085 130 HG23 THR 19 HG23 THR 19 22.374 18.161 -1.198 131 H GLY 20 H GLY 20 25.139 16.660 2.540 132 HA2 GLY 20 HA2 GLY 20 27.472 16.431 3.082 133 HA3 GLY 20 HA3 GLY 20 27.789 17.885 2.147 134 H GLY 21 H GLY 21 25.011 18.135 4.073 135 HA2 GLY 21 HA2 GLY 21 26.443 19.937 5.883 136 HA3 GLY 21 HA3 GLY 21 24.703 19.881 5.639 137 HA PRO 22 HA PRO 22 25.684 17.826 9.682 138 HB2 PRO 22 HB2 PRO 22 23.760 19.131 11.083 139 HB3 PRO 22 HB3 PRO 22 25.384 19.786 10.843 140 HG2 PRO 22 HG2 PRO 22 22.851 20.419 9.378 141 HG3 PRO 22 HG3 PRO 22 24.112 21.521 9.959 142 HD2 PRO 22 HD2 PRO 22 23.944 20.732 7.374 143 HD3 PRO 22 HD3 PRO 22 25.493 21.087 8.165 144 H GLY 23 H GLY 23 24.395 16.318 10.851 145 HA2 GLY 23 HA2 GLY 23 21.851 15.680 10.960 146 HA3 GLY 23 HA3 GLY 23 22.148 15.304 9.270 147 HA PRO 24 HA PRO 24 20.915 13.672 9.003 148 HB2 PRO 24 HB2 PRO 24 19.364 11.652 9.944 149 HB3 PRO 24 HB3 PRO 24 20.611 11.412 8.715 150 HG2 PRO 24 HG2 PRO 24 20.729 10.888 11.660 151 HG3 PRO 24 HG3 PRO 24 21.327 9.891 10.321 152 HD2 PRO 24 HD2 PRO 24 22.953 11.474 11.799 153 HD3 PRO 24 HD3 PRO 24 23.246 11.146 10.079 154 H SER 25 H SER 25 19.040 14.774 9.411 155 HA SER 25 HA SER 25 18.725 15.993 11.942 156 HB2 SER 25 HB2 SER 25 16.388 16.588 10.781 157 HB3 SER 25 HB3 SER 25 17.894 17.378 10.317 158 HG SER 25 HG SER 25 17.109 14.997 9.045 159 HA PRO 26 HA PRO 26 15.997 13.365 14.152 160 HB2 PRO 26 HB2 PRO 26 14.212 15.101 15.235 161 HB3 PRO 26 HB3 PRO 26 15.889 14.981 15.782 162 HG2 PRO 26 HG2 PRO 26 14.641 16.963 13.917 163 HG3 PRO 26 HG3 PRO 26 15.802 17.238 15.229 164 HD2 PRO 26 HD2 PRO 26 16.543 17.130 12.626 165 HD3 PRO 26 HD3 PRO 26 17.600 16.583 13.943 166 H GLN 27 H GLN 27 14.146 15.846 12.376 167 HA GLN 27 HA GLN 27 11.733 14.452 12.231 168 HB2 GLN 27 HB2 GLN 27 12.976 16.624 10.584 169 HB3 GLN 27 HB3 GLN 27 11.467 15.888 10.059 170 HG2 GLN 27 HG2 GLN 27 10.272 16.748 11.813 171 HG3 GLN 27 HG3 GLN 27 11.687 16.873 12.857 172 HE21 GLN 27 HE21 GLN 27 9.910 18.342 10.245 173 HE22 GLN 27 HE22 GLN 27 10.654 19.898 10.350 174 H CYS 28 H CYS 28 14.556 14.386 10.114 175 HA CYS 28 HA CYS 28 13.438 12.836 8.050 176 HB2 CYS 28 HB2 CYS 28 15.500 14.012 7.668 177 HB3 CYS 28 HB3 CYS 28 16.295 13.151 8.982 178 H CYS 29 H CYS 29 15.437 11.865 10.834 179 HA CYS 29 HA CYS 29 15.584 9.161 10.416 180 HB2 CYS 29 HB2 CYS 29 15.375 10.777 12.943 181 HB3 CYS 29 HB3 CYS 29 15.500 9.022 13.003 182 H GLY 30 H GLY 30 12.933 10.948 11.961 183 HA2 GLY 30 HA2 GLY 30 11.365 8.716 12.649 184 HA3 GLY 30 HA3 GLY 30 10.765 10.351 12.417 185 H GLY 31 H GLY 31 11.468 10.663 9.694 186 HA2 GLY 31 HA2 GLY 31 9.226 9.372 8.485 187 HA3 GLY 31 HA3 GLY 31 10.397 10.399 7.671 188 H VAL 32 H VAL 32 12.729 8.925 8.254 189 HA VAL 32 HA VAL 32 12.829 7.146 6.132 190 HB VAL 32 HB VAL 32 14.559 7.291 8.599 191 HG11 VAL 32 HG11 VAL 32 16.205 5.976 7.263 192 HG12 VAL 32 HG12 VAL 32 14.777 5.062 7.750 193 HG13 VAL 32 HG13 VAL 32 14.924 5.654 6.095 194 HG21 VAL 32 HG21 VAL 32 14.747 8.411 5.820 195 HG22 VAL 32 HG22 VAL 32 14.819 9.265 7.361 196 HG23 VAL 32 HG23 VAL 32 16.166 8.246 6.855 197 H LYS 33 H LYS 33 12.652 6.346 9.603 198 HA LYS 33 HA LYS 33 12.472 3.589 9.358 199 HB2 LYS 33 HB2 LYS 33 11.570 5.556 11.418 200 HB3 LYS 33 HB3 LYS 33 11.038 3.885 11.559 201 HG2 LYS 33 HG2 LYS 33 13.316 3.117 11.656 202 HG3 LYS 33 HG3 LYS 33 13.915 4.750 11.358 203 HD2 LYS 33 HD2 LYS 33 13.298 5.496 13.471 204 HD3 LYS 33 HD3 LYS 33 12.132 4.190 13.698 205 HE2 LYS 33 HE2 LYS 33 14.638 2.968 13.335 206 HE3 LYS 33 HE3 LYS 33 14.898 4.310 14.449 207 HZ1 LYS 33 HZ1 LYS 33 12.556 3.025 15.227 208 HZ2 LYS 33 HZ2 LYS 33 14.035 3.070 16.046 209 HZ3 LYS 33 HZ3 LYS 33 13.708 1.815 14.960 210 H LYS 34 H LYS 34 10.091 6.030 8.750 211 HA LYS 34 HA LYS 34 7.777 4.405 8.929 212 HB2 LYS 34 HB2 LYS 34 8.013 6.999 8.813 213 HB3 LYS 34 HB3 LYS 34 7.982 6.754 7.072 214 HG2 LYS 34 HG2 LYS 34 5.830 5.349 7.651 215 HG3 LYS 34 HG3 LYS 34 5.828 6.382 9.082 216 HD2 LYS 34 HD2 LYS 34 6.245 7.718 6.474 217 HD3 LYS 34 HD3 LYS 34 4.635 7.065 6.783 218 HE2 LYS 34 HE2 LYS 34 4.201 8.555 8.439 219 HE3 LYS 34 HE3 LYS 34 5.880 8.618 8.970 220 HZ1 LYS 34 HZ1 LYS 34 5.765 10.642 8.016 221 HZ2 LYS 34 HZ2 LYS 34 4.505 10.221 6.970 222 HZ3 LYS 34 HZ3 LYS 34 6.095 9.778 6.600 223 H LEU 35 H LEU 35 9.935 5.251 6.256 224 HA LEU 35 HA LEU 35 8.447 3.988 4.218 225 HB2 LEU 35 HB2 LEU 35 10.246 5.659 3.861 226 HB3 LEU 35 HB3 LEU 35 11.425 4.437 4.333 227 HG LEU 35 HG LEU 35 9.577 3.968 2.020 228 HD11 LEU 35 HD11 LEU 35 11.026 6.190 1.985 229 HD12 LEU 35 HD12 LEU 35 10.817 5.182 0.554 230 HD13 LEU 35 HD13 LEU 35 12.289 5.052 1.516 231 HD21 LEU 35 HD21 LEU 35 12.205 2.886 2.974 232 HD22 LEU 35 HD22 LEU 35 11.688 2.695 1.298 233 HD23 LEU 35 HD23 LEU 35 10.714 2.018 2.605 234 H LEU 36 H LEU 36 11.180 2.870 6.192 235 HA LEU 36 HA LEU 36 11.293 0.289 4.998 236 HB2 LEU 36 HB2 LEU 36 12.510 1.615 7.359 237 HB3 LEU 36 HB3 LEU 36 12.510 -0.147 7.318 238 HG LEU 36 HG LEU 36 13.623 1.492 5.058 239 HD11 LEU 36 HD11 LEU 36 15.729 1.561 6.029 240 HD12 LEU 36 HD12 LEU 36 15.321 0.349 7.243 241 HD13 LEU 36 HD13 LEU 36 14.659 1.979 7.367 242 HD21 LEU 36 HD21 LEU 36 14.537 -1.217 5.915 243 HD22 LEU 36 HD22 LEU 36 14.561 -0.474 4.315 244 HD23 LEU 36 HD23 LEU 36 13.041 -1.055 4.995 245 H ALA 37 H ALA 37 9.386 1.702 7.507 246 HA ALA 37 HA ALA 37 8.616 -0.793 8.720 247 HB1 ALA 37 HB1 ALA 37 6.975 0.614 9.951 248 HB2 ALA 37 HB2 ALA 37 8.644 1.165 10.103 249 HB3 ALA 37 HB3 ALA 37 7.533 2.004 9.020 250 H ALA 38 H ALA 38 7.460 1.249 6.154 251 HA ALA 38 HA ALA 38 4.869 -0.037 6.021 252 HB1 ALA 38 HB1 ALA 38 4.408 1.443 4.189 253 HB2 ALA 38 HB2 ALA 38 5.178 2.366 5.480 254 HB3 ALA 38 HB3 ALA 38 6.110 1.886 4.062 255 H ALA 39 H ALA 39 7.910 -0.928 5.131 256 HA ALA 39 HA ALA 39 6.889 -2.605 2.933 257 HB1 ALA 39 HB1 ALA 39 8.741 -2.251 1.638 258 HB2 ALA 39 HB2 ALA 39 8.614 -0.681 2.432 259 HB3 ALA 39 HB3 ALA 39 9.772 -1.875 3.018 260 H ASN 40 H ASN 40 6.856 -4.672 3.496 261 HA ASN 40 HA ASN 40 8.935 -5.663 5.335 262 HB2 ASN 40 HB2 ASN 40 7.098 -7.449 5.854 263 HB3 ASN 40 HB3 ASN 40 7.009 -5.864 6.617 264 HD21 ASN 40 HD21 ASN 40 4.952 -5.345 6.785 265 HD22 ASN 40 HD22 ASN 40 3.769 -5.468 5.531 266 H THR 41 H THR 41 7.005 -6.268 2.477 267 HA THR 41 HA THR 41 8.232 -8.849 1.996 268 HB THR 41 HB THR 41 6.827 -9.024 0.070 269 HG1 THR 41 HG1 THR 41 5.437 -7.028 -0.334 270 HG21 THR 41 HG21 THR 41 5.834 -8.664 2.620 271 HG22 THR 41 HG22 THR 41 4.948 -9.331 1.249 272 HG23 THR 41 HG23 THR 41 4.814 -7.616 1.636 273 H THR 42 H THR 42 8.749 -9.031 -0.589 274 HA THR 42 HA THR 42 11.162 -7.476 -0.888 275 HB THR 42 HB THR 42 10.211 -9.247 -3.084 276 HG1 THR 42 HG1 THR 42 9.934 -10.854 -1.742 277 HG21 THR 42 HG21 THR 42 12.868 -9.646 -1.956 278 HG22 THR 42 HG22 THR 42 12.579 -7.978 -2.454 279 HG23 THR 42 HG23 THR 42 12.387 -9.292 -3.615 280 HA PRO 43 HA PRO 43 8.518 -6.298 -4.959 281 HB2 PRO 43 HB2 PRO 43 5.955 -6.196 -3.435 282 HB3 PRO 43 HB3 PRO 43 6.244 -6.629 -5.124 283 HG2 PRO 43 HG2 PRO 43 5.763 -8.498 -3.265 284 HG3 PRO 43 HG3 PRO 43 6.893 -8.783 -4.601 285 HD2 PRO 43 HD2 PRO 43 7.432 -8.294 -1.738 286 HD3 PRO 43 HD3 PRO 43 8.369 -9.213 -2.933 287 H ASP 44 H ASP 44 7.299 -5.296 -1.758 288 HA ASP 44 HA ASP 44 6.986 -2.572 -2.429 289 HB2 ASP 44 HB2 ASP 44 7.019 -4.160 0.088 290 HB3 ASP 44 HB3 ASP 44 7.258 -2.420 0.227 291 H ARG 45 H ARG 45 9.646 -4.379 -0.963 292 HA ARG 45 HA ARG 45 11.268 -2.162 -0.334 293 HB2 ARG 45 HB2 ARG 45 11.748 -5.090 -0.710 294 HB3 ARG 45 HB3 ARG 45 13.129 -4.007 -0.596 295 HG2 ARG 45 HG2 ARG 45 12.410 -3.253 1.581 296 HG3 ARG 45 HG3 ARG 45 10.943 -4.226 1.462 297 HD2 ARG 45 HD2 ARG 45 12.473 -6.235 1.211 298 HD3 ARG 45 HD3 ARG 45 13.790 -5.168 1.698 299 HE ARG 45 HE ARG 45 11.748 -6.282 3.384 300 HH11 ARG 45 HH11 ARG 45 14.029 -3.682 2.988 301 HH12 ARG 45 HH12 ARG 45 14.134 -3.341 4.683 302 HH21 ARG 45 HH21 ARG 45 11.878 -5.844 5.619 303 HH22 ARG 45 HH22 ARG 45 12.910 -4.572 6.179 304 H GLN 46 H GLN 46 10.702 -3.901 -3.293 305 HA GLN 46 HA GLN 46 13.013 -2.951 -4.674 306 HB2 GLN 46 HB2 GLN 46 10.541 -4.435 -5.394 307 HB3 GLN 46 HB3 GLN 46 11.383 -3.600 -6.693 308 HG2 GLN 46 HG2 GLN 46 13.138 -5.015 -6.655 309 HG3 GLN 46 HG3 GLN 46 13.051 -5.252 -4.911 310 HE21 GLN 46 HE21 GLN 46 10.623 -5.728 -7.440 311 HE22 GLN 46 HE22 GLN 46 10.364 -7.406 -7.120 312 H ALA 47 H ALA 47 9.579 -2.027 -4.702 313 HA ALA 47 HA ALA 47 9.717 0.013 -6.585 314 HB1 ALA 47 HB1 ALA 47 7.698 -1.056 -5.276 315 HB2 ALA 47 HB2 ALA 47 7.923 0.350 -4.234 316 HB3 ALA 47 HB3 ALA 47 7.590 0.570 -5.952 317 H ALA 48 H ALA 48 10.133 0.197 -3.058 318 HA ALA 48 HA ALA 48 10.518 2.959 -2.869 319 HB1 ALA 48 HB1 ALA 48 11.374 2.569 -0.694 320 HB2 ALA 48 HB2 ALA 48 10.144 1.337 -0.977 321 HB3 ALA 48 HB3 ALA 48 11.853 0.921 -1.103 322 H CYS 49 H CYS 49 13.023 0.412 -2.875 323 HA CYS 49 HA CYS 49 15.267 1.979 -2.947 324 HB2 CYS 49 HB2 CYS 49 14.610 -0.732 -3.979 325 HB3 CYS 49 HB3 CYS 49 16.111 -0.002 -4.537 326 H ASN 50 H ASN 50 13.185 1.076 -5.654 327 HA ASN 50 HA ASN 50 14.764 2.101 -7.729 328 HB2 ASN 50 HB2 ASN 50 11.751 1.875 -7.551 329 HB3 ASN 50 HB3 ASN 50 12.657 2.164 -9.034 330 HD21 ASN 50 HD21 ASN 50 10.886 -0.031 -8.353 331 HD22 ASN 50 HD22 ASN 50 11.824 -1.474 -8.501 332 H CYS 51 H CYS 51 12.255 3.628 -5.748 333 HA CYS 51 HA CYS 51 12.421 6.143 -7.105 334 HB2 CYS 51 HB2 CYS 51 11.024 5.117 -4.671 335 HB3 CYS 51 HB3 CYS 51 11.180 6.857 -4.883 336 H LEU 52 H LEU 52 14.031 4.662 -4.407 337 HA LEU 52 HA LEU 52 15.082 7.086 -3.305 338 HB2 LEU 52 HB2 LEU 52 15.561 4.171 -2.888 339 HB3 LEU 52 HB3 LEU 52 16.719 5.335 -2.247 340 HG LEU 52 HG LEU 52 13.785 5.202 -1.552 341 HD11 LEU 52 HD11 LEU 52 14.504 4.391 0.595 342 HD12 LEU 52 HD12 LEU 52 16.197 4.513 0.118 343 HD13 LEU 52 HD13 LEU 52 15.144 3.334 -0.664 344 HD21 LEU 52 HD21 LEU 52 14.673 6.770 0.310 345 HD22 LEU 52 HD22 LEU 52 14.325 7.436 -1.286 346 HD23 LEU 52 HD23 LEU 52 15.990 7.085 -0.820 347 H LYS 53 H LYS 53 16.671 4.369 -4.989 348 HA LYS 53 HA LYS 53 19.157 5.495 -5.345 349 HB2 LYS 53 HB2 LYS 53 18.091 3.149 -6.044 350 HB3 LYS 53 HB3 LYS 53 18.042 3.931 -7.618 351 HG2 LYS 53 HG2 LYS 53 20.188 3.502 -7.930 352 HG3 LYS 53 HG3 LYS 53 20.605 4.372 -6.452 353 HD2 LYS 53 HD2 LYS 53 19.702 1.495 -6.555 354 HD3 LYS 53 HD3 LYS 53 21.386 2.016 -6.467 355 HE2 LYS 53 HE2 LYS 53 21.249 2.450 -4.273 356 HE3 LYS 53 HE3 LYS 53 19.680 3.238 -4.437 357 HZ1 LYS 53 HZ1 LYS 53 19.757 0.332 -4.716 358 HZ2 LYS 53 HZ2 LYS 53 18.571 1.321 -4.027 359 HZ3 LYS 53 HZ3 LYS 53 19.979 0.963 -3.162 360 H SER 54 H SER 54 16.257 5.921 -7.313 361 HA SER 54 HA SER 54 17.569 7.507 -9.304 362 HB2 SER 54 HB2 SER 54 15.586 6.272 -9.925 363 HB3 SER 54 HB3 SER 54 14.638 7.083 -8.678 364 HG SER 54 HG SER 54 15.562 8.053 -11.136 365 H ALA 55 H ALA 55 15.926 8.129 -6.295 366 HA ALA 55 HA ALA 55 15.506 10.915 -6.690 367 HB1 ALA 55 HB1 ALA 55 15.559 9.182 -4.234 368 HB2 ALA 55 HB2 ALA 55 15.259 10.919 -4.168 369 HB3 ALA 55 HB3 ALA 55 14.160 9.868 -5.061 370 H ALA 56 H ALA 56 17.940 9.104 -4.815 371 HA ALA 56 HA ALA 56 19.443 11.315 -3.989 372 HB1 ALA 56 HB1 ALA 56 20.819 8.736 -4.545 373 HB2 ALA 56 HB2 ALA 56 20.949 9.810 -3.151 374 HB3 ALA 56 HB3 ALA 56 19.539 8.766 -3.332 375 H GLY 57 H GLY 57 19.210 9.778 -7.059 376 HA2 GLY 57 HA2 GLY 57 21.738 10.396 -8.133 377 HA3 GLY 57 HA3 GLY 57 20.269 10.141 -9.063 378 H SER 58 H SER 58 18.964 12.382 -7.525 379 HA SER 58 HA SER 58 19.986 14.522 -9.232 380 HB2 SER 58 HB2 SER 58 17.532 14.758 -7.517 381 HB3 SER 58 HB3 SER 58 17.888 15.535 -9.059 382 HG SER 58 HG SER 58 17.028 12.912 -8.541 383 H ILE 59 H ILE 59 21.208 13.562 -6.632 384 HA ILE 59 HA ILE 59 20.969 15.970 -4.989 385 HB ILE 59 HB ILE 59 22.425 13.379 -4.451 386 HG12 ILE 59 HG12 ILE 59 19.946 13.221 -4.454 387 HG13 ILE 59 HG13 ILE 59 20.644 12.926 -2.866 388 HG21 ILE 59 HG21 ILE 59 22.149 15.906 -2.862 389 HG22 ILE 59 HG22 ILE 59 22.436 14.354 -2.076 390 HG23 ILE 59 HG23 ILE 59 23.605 14.984 -3.237 391 HD11 ILE 59 HD11 ILE 59 18.632 14.302 -2.750 392 HD12 ILE 59 HD12 ILE 59 20.052 15.170 -2.169 393 HD13 ILE 59 HD13 ILE 59 19.404 15.513 -3.773 394 H THR 60 H THR 60 22.291 17.599 -5.411 395 HA THR 60 HA THR 60 24.489 17.552 -7.103 396 HB THR 60 HB THR 60 23.532 19.666 -6.621 397 HG1 THR 60 HG1 THR 60 25.371 20.819 -6.145 398 HG21 THR 60 HG21 THR 60 23.522 18.688 -3.910 399 HG22 THR 60 HG22 THR 60 22.619 20.028 -4.619 400 HG23 THR 60 HG23 THR 60 24.242 20.296 -3.984 401 H LYS 61 H LYS 61 26.329 16.474 -6.887 402 HA LYS 61 HA LYS 61 28.199 15.532 -5.999 403 HB2 LYS 61 HB2 LYS 61 27.765 17.897 -4.207 404 HB3 LYS 61 HB3 LYS 61 29.055 16.755 -3.854 405 HG2 LYS 61 HG2 LYS 61 29.761 17.143 -6.305 406 HG3 LYS 61 HG3 LYS 61 28.745 18.583 -6.200 407 HD2 LYS 61 HD2 LYS 61 30.043 19.276 -4.192 408 HD3 LYS 61 HD3 LYS 61 31.115 17.900 -4.461 409 HE2 LYS 61 HE2 LYS 61 30.930 19.236 -6.921 410 HE3 LYS 61 HE3 LYS 61 31.125 20.493 -5.701 411 HZ1 LYS 61 HZ1 LYS 61 33.285 19.921 -6.240 412 HZ2 LYS 61 HZ2 LYS 61 32.943 18.269 -6.365 413 HZ3 LYS 61 HZ3 LYS 61 33.010 19.005 -4.844 414 H LEU 62 H LEU 62 26.026 14.069 -5.464 415 HA LEU 62 HA LEU 62 25.272 13.546 -2.871 416 HB2 LEU 62 HB2 LEU 62 24.185 12.472 -4.712 417 HB3 LEU 62 HB3 LEU 62 25.673 11.646 -5.172 418 HG LEU 62 HG LEU 62 25.385 10.631 -2.720 419 HD11 LEU 62 HD11 LEU 62 22.532 10.934 -3.615 420 HD12 LEU 62 HD12 LEU 62 23.279 12.011 -2.435 421 HD13 LEU 62 HD13 LEU 62 23.143 10.287 -2.092 422 HD21 LEU 62 HD21 LEU 62 24.807 9.806 -5.407 423 HD22 LEU 62 HD22 LEU 62 23.671 9.056 -4.285 424 HD23 LEU 62 HD23 LEU 62 25.408 8.854 -4.049 425 H ASN 63 H ASN 63 26.069 12.397 -1.168 426 HA ASN 63 HA ASN 63 28.842 11.437 -1.428 427 HB2 ASN 63 HB2 ASN 63 28.138 13.452 0.144 428 HB3 ASN 63 HB3 ASN 63 27.686 12.144 1.233 429 HD21 ASN 63 HD21 ASN 63 29.980 14.249 0.854 430 HD22 ASN 63 HD22 ASN 63 31.383 13.334 1.277 431 H THR 64 H THR 64 28.744 9.289 -1.671 432 HA THR 64 HA THR 64 26.747 7.564 -0.854 433 HB THR 64 HB THR 64 28.530 5.762 -0.926 434 HG1 THR 64 HG1 THR 64 30.400 6.793 -0.444 435 HG21 THR 64 HG21 THR 64 27.420 7.353 -3.000 436 HG22 THR 64 HG22 THR 64 27.941 5.670 -3.071 437 HG23 THR 64 HG23 THR 64 29.079 6.962 -3.450 438 H ASN 65 H ASN 65 29.480 8.805 0.957 439 HA ASN 65 HA ASN 65 29.282 7.009 3.145 440 HB2 ASN 65 HB2 ASN 65 30.683 9.581 2.607 441 HB3 ASN 65 HB3 ASN 65 30.481 9.104 4.290 442 HD21 ASN 65 HD21 ASN 65 31.741 7.540 5.118 443 HD22 ASN 65 HD22 ASN 65 32.947 6.683 4.227 444 H ASN 66 H ASN 66 27.831 10.129 2.413 445 HA ASN 66 HA ASN 66 26.687 10.514 4.998 446 HB2 ASN 66 HB2 ASN 66 26.051 11.761 2.317 447 HB3 ASN 66 HB3 ASN 66 25.328 12.273 3.839 448 HD21 ASN 66 HD21 ASN 66 26.216 14.347 3.489 449 HD22 ASN 66 HD22 ASN 66 27.885 14.664 3.807 450 H ALA 67 H ALA 67 25.458 9.296 1.904 451 HA ALA 67 HA ALA 67 22.784 8.968 2.599 452 HB1 ALA 67 HB1 ALA 67 22.996 6.981 0.888 453 HB2 ALA 67 HB2 ALA 67 23.132 8.658 0.358 454 HB3 ALA 67 HB3 ALA 67 24.586 7.691 0.604 455 H ALA 68 H ALA 68 25.530 6.782 3.065 456 HA ALA 68 HA ALA 68 23.945 4.681 4.192 457 HB1 ALA 68 HB1 ALA 68 25.871 3.854 3.250 458 HB2 ALA 68 HB2 ALA 68 26.866 5.180 3.852 459 HB3 ALA 68 HB3 ALA 68 26.324 3.914 4.953 460 H ALA 69 H ALA 69 25.601 7.481 5.422 461 HA ALA 69 HA ALA 69 25.692 6.654 8.150 462 HB1 ALA 69 HB1 ALA 69 25.845 9.416 6.948 463 HB2 ALA 69 HB2 ALA 69 26.220 9.005 8.622 464 HB3 ALA 69 HB3 ALA 69 27.207 8.356 7.312 465 H LEU 70 H LEU 70 23.254 7.988 6.114 466 HA LEU 70 HA LEU 70 21.638 9.286 7.997 467 HB2 LEU 70 HB2 LEU 70 20.941 9.736 5.879 468 HB3 LEU 70 HB3 LEU 70 21.245 8.095 5.314 469 HG LEU 70 HG LEU 70 19.176 7.335 6.343 470 HD11 LEU 70 HD11 LEU 70 18.552 8.490 8.162 471 HD12 LEU 70 HD12 LEU 70 17.704 9.514 7.005 472 HD13 LEU 70 HD13 LEU 70 19.297 9.985 7.596 473 HD21 LEU 70 HD21 LEU 70 18.938 9.750 4.561 474 HD22 LEU 70 HD22 LEU 70 17.582 8.695 4.960 475 HD23 LEU 70 HD23 LEU 70 18.973 8.052 4.086 476 HA PRO 71 HA PRO 71 19.253 5.118 8.526 477 HB2 PRO 71 HB2 PRO 71 20.393 2.889 7.475 478 HB3 PRO 71 HB3 PRO 71 19.273 3.914 6.570 479 HG2 PRO 71 HG2 PRO 71 22.264 3.844 6.488 480 HG3 PRO 71 HG3 PRO 71 21.111 3.967 5.147 481 HD2 PRO 71 HD2 PRO 71 22.429 6.115 6.135 482 HD3 PRO 71 HD3 PRO 71 20.789 6.227 5.464 483 H GLY 72 H GLY 72 22.782 4.943 8.483 484 HA2 GLY 72 HA2 GLY 72 22.985 3.053 10.616 485 HA3 GLY 72 HA3 GLY 72 24.286 4.050 9.983 486 H LYS 73 H LYS 73 23.102 6.582 10.443 487 HA LYS 73 HA LYS 73 23.752 6.893 13.219 488 HB2 LYS 73 HB2 LYS 73 22.824 8.825 11.095 489 HB3 LYS 73 HB3 LYS 73 23.148 9.316 12.753 490 HG2 LYS 73 HG2 LYS 73 25.365 7.814 11.736 491 HG3 LYS 73 HG3 LYS 73 24.963 9.128 10.628 492 HD2 LYS 73 HD2 LYS 73 24.834 10.515 12.868 493 HD3 LYS 73 HD3 LYS 73 25.899 9.236 13.455 494 HE2 LYS 73 HE2 LYS 73 27.443 9.686 11.605 495 HE3 LYS 73 HE3 LYS 73 26.379 10.970 11.032 496 HZ1 LYS 73 HZ1 LYS 73 26.704 11.889 13.410 497 HZ2 LYS 73 HZ2 LYS 73 27.924 12.120 12.261 498 HZ3 LYS 73 HZ3 LYS 73 28.082 10.908 13.430 499 H CYS 74 H CYS 74 20.836 6.651 11.344 500 HA CYS 74 HA CYS 74 19.138 7.641 13.465 501 HB2 CYS 74 HB2 CYS 74 18.588 6.438 10.755 502 HB3 CYS 74 HB3 CYS 74 17.299 6.823 11.891 503 H GLY 75 H GLY 75 20.847 4.920 13.207 504 HA2 GLY 75 HA2 GLY 75 20.743 2.929 14.360 505 HA3 GLY 75 HA3 GLY 75 19.271 3.514 15.120 506 H VAL 76 H VAL 76 19.017 3.703 11.785 507 HA VAL 76 HA VAL 76 17.623 1.106 11.683 508 HB VAL 76 HB VAL 76 15.967 2.825 11.577 509 HG11 VAL 76 HG11 VAL 76 16.393 4.322 9.306 510 HG12 VAL 76 HG12 VAL 76 16.657 4.859 10.966 511 HG13 VAL 76 HG13 VAL 76 18.000 4.212 10.024 512 HG21 VAL 76 HG21 VAL 76 16.046 0.874 9.836 513 HG22 VAL 76 HG22 VAL 76 14.841 2.152 9.684 514 HG23 VAL 76 HG23 VAL 76 16.290 2.184 8.680 515 H ASN 77 H ASN 77 19.503 0.068 10.883 516 HA ASN 77 HA ASN 77 20.607 0.971 8.350 517 HB2 ASN 77 HB2 ASN 77 21.356 -1.061 10.399 518 HB3 ASN 77 HB3 ASN 77 21.911 -1.318 8.748 519 HD21 ASN 77 HD21 ASN 77 22.709 0.903 7.765 520 HD22 ASN 77 HD22 ASN 77 23.877 1.714 8.746 521 H ILE 78 H ILE 78 20.582 -0.245 6.436 522 HA ILE 78 HA ILE 78 18.421 -2.244 6.301 523 HB ILE 78 HB ILE 78 18.390 -1.596 3.815 524 HG12 ILE 78 HG12 ILE 78 20.577 -0.185 4.291 525 HG13 ILE 78 HG13 ILE 78 19.397 0.347 3.098 526 HG21 ILE 78 HG21 ILE 78 16.540 -1.071 5.212 527 HG22 ILE 78 HG22 ILE 78 17.420 0.242 5.991 528 HG23 ILE 78 HG23 ILE 78 16.930 0.389 4.304 529 HD11 ILE 78 HD11 ILE 78 19.132 1.288 5.907 530 HD12 ILE 78 HD12 ILE 78 20.360 2.007 4.864 531 HD13 ILE 78 HD13 ILE 78 18.660 2.075 4.401 532 HA PRO 79 HA PRO 79 21.212 -5.276 4.792 533 HB2 PRO 79 HB2 PRO 79 19.670 -6.603 2.994 534 HB3 PRO 79 HB3 PRO 79 19.435 -6.731 4.741 535 HG2 PRO 79 HG2 PRO 79 17.954 -5.058 2.748 536 HG3 PRO 79 HG3 PRO 79 17.318 -6.016 4.098 537 HD2 PRO 79 HD2 PRO 79 17.647 -3.332 4.243 538 HD3 PRO 79 HD3 PRO 79 17.829 -4.394 5.654 539 H TYR 80 H TYR 80 20.030 -2.827 2.778 540 HA TYR 80 HA TYR 80 21.994 -3.535 0.699 541 HB2 TYR 80 HB2 TYR 80 20.488 -2.301 -0.906 542 HB3 TYR 80 HB3 TYR 80 19.842 -3.821 -0.299 543 HD1 TYR 80 HD2 TYR 80 19.736 -0.149 0.336 544 HD2 TYR 80 HD1 TYR 80 17.708 -3.878 0.622 545 HE1 TYR 80 HE2 TYR 80 17.705 1.020 1.082 546 HE2 TYR 80 HE1 TYR 80 15.671 -2.720 1.368 547 HH TYR 80 HH TYR 80 14.655 -0.645 1.443 548 H LYS 81 H LYS 81 23.209 -1.862 -0.180 549 HA LYS 81 HA LYS 81 23.488 0.456 1.538 550 HB2 LYS 81 HB2 LYS 81 25.352 -1.033 0.382 551 HB3 LYS 81 HB3 LYS 81 25.111 0.100 -0.942 552 HG2 LYS 81 HG2 LYS 81 26.211 1.729 0.107 553 HG3 LYS 81 HG3 LYS 81 25.404 1.409 1.644 554 HD2 LYS 81 HD2 LYS 81 26.928 -0.626 1.832 555 HD3 LYS 81 HD3 LYS 81 27.851 0.082 0.504 556 HE2 LYS 81 HE2 LYS 81 28.751 1.668 1.817 557 HE3 LYS 81 HE3 LYS 81 27.243 1.940 2.689 558 HZ1 LYS 81 HZ1 LYS 81 27.674 0.060 4.065 559 HZ2 LYS 81 HZ2 LYS 81 29.063 1.024 4.072 560 HZ3 LYS 81 HZ3 LYS 81 29.021 -0.391 3.147 561 H ILE 82 H ILE 82 24.032 2.586 0.320 562 HA ILE 82 HA ILE 82 21.952 3.017 -1.724 563 HB ILE 82 HB ILE 82 22.930 4.978 0.355 564 HG12 ILE 82 HG12 ILE 82 20.345 4.773 0.897 565 HG13 ILE 82 HG13 ILE 82 20.544 3.191 0.152 566 HG21 ILE 82 HG21 ILE 82 21.237 5.252 -2.062 567 HG22 ILE 82 HG22 ILE 82 20.749 6.142 -0.620 568 HG23 ILE 82 HG23 ILE 82 22.348 6.403 -1.318 569 HD11 ILE 82 HD11 ILE 82 21.094 2.515 2.201 570 HD12 ILE 82 HD12 ILE 82 22.651 3.282 1.885 571 HD13 ILE 82 HD13 ILE 82 21.398 4.159 2.762 572 H SER 83 H SER 83 22.688 3.594 -3.649 573 HA SER 83 HA SER 83 24.578 5.594 -4.134 574 HB2 SER 83 HB2 SER 83 26.431 4.383 -3.527 575 HB3 SER 83 HB3 SER 83 25.667 2.834 -3.881 576 HG SER 83 HG SER 83 26.987 4.610 -5.597 577 H THR 84 H THR 84 25.033 5.884 -6.403 578 HA THR 84 HA THR 84 22.837 5.204 -8.053 579 HB THR 84 HB THR 84 24.469 6.094 -9.904 580 HG1 THR 84 HG1 THR 84 26.358 5.950 -8.604 581 HG21 THR 84 HG21 THR 84 22.600 7.261 -8.258 582 HG22 THR 84 HG22 THR 84 23.363 8.030 -9.650 583 HG23 THR 84 HG23 THR 84 24.014 8.289 -8.032 584 H THR 85 H THR 85 25.633 3.493 -7.230 585 HA THR 85 HA THR 85 25.446 1.816 -9.642 586 HB THR 85 HB THR 85 27.671 1.043 -9.222 587 HG1 THR 85 HG1 THR 85 28.734 1.417 -7.341 588 HG21 THR 85 HG21 THR 85 28.958 3.180 -9.222 589 HG22 THR 85 HG22 THR 85 27.463 4.028 -8.827 590 HG23 THR 85 HG23 THR 85 27.609 3.163 -10.357 591 H THR 86 H THR 86 23.747 1.778 -7.154 592 HA THR 86 HA THR 86 24.354 -0.939 -6.203 593 HB THR 86 HB THR 86 22.652 1.238 -4.984 594 HG1 THR 86 HG1 THR 86 24.284 1.422 -3.581 595 HG21 THR 86 HG21 THR 86 22.635 -0.553 -3.056 596 HG22 THR 86 HG22 THR 86 22.827 -1.682 -4.396 597 HG23 THR 86 HG23 THR 86 21.432 -0.605 -4.343 598 H ASN 87 H ASN 87 22.853 -2.570 -6.336 599 HA ASN 87 HA ASN 87 20.390 -1.961 -7.834 600 HB2 ASN 87 HB2 ASN 87 22.186 -3.193 -9.139 601 HB3 ASN 87 HB3 ASN 87 21.934 -4.548 -8.042 602 HD21 ASN 87 HD21 ASN 87 21.560 -5.120 -10.562 603 HD22 ASN 87 HD22 ASN 87 19.885 -5.232 -10.970 604 H CYS 88 H CYS 88 18.826 -2.059 -6.337 605 HA CYS 88 HA CYS 88 18.907 -3.856 -4.111 606 HB2 CYS 88 HB2 CYS 88 17.031 -1.786 -5.135 607 HB3 CYS 88 HB3 CYS 88 16.369 -3.013 -4.060 608 H ASN 89 H ASN 89 17.646 -3.972 -7.327 609 HA ASN 89 HA ASN 89 15.632 -5.897 -7.013 610 HB2 ASN 89 HB2 ASN 89 16.302 -4.452 -9.083 611 HB3 ASN 89 HB3 ASN 89 17.357 -5.809 -9.467 612 HD21 ASN 89 HD21 ASN 89 16.482 -7.069 -10.927 613 HD22 ASN 89 HD22 ASN 89 14.813 -7.504 -11.036 614 H THR 90 H THR 90 19.056 -6.158 -6.894 615 HA THR 90 HA THR 90 19.007 -9.051 -7.301 616 HB THR 90 HB THR 90 21.577 -8.613 -6.723 617 HG1 THR 90 HG1 THR 90 20.740 -6.146 -7.878 618 HG21 THR 90 HG21 THR 90 21.961 -8.280 -9.156 619 HG22 THR 90 HG22 THR 90 20.231 -8.002 -9.356 620 HG23 THR 90 HG23 THR 90 20.814 -9.572 -8.804 621 H VAL 91 H VAL 91 17.940 -7.478 -4.892 622 HA VAL 91 HA VAL 91 19.595 -8.593 -2.757 623 HB VAL 91 HB VAL 91 17.170 -6.797 -2.602 624 HG11 VAL 91 HG11 VAL 91 17.308 -8.106 -0.601 625 HG12 VAL 91 HG12 VAL 91 19.041 -7.800 -0.462 626 HG13 VAL 91 HG13 VAL 91 17.891 -6.481 -0.238 627 HG21 VAL 91 HG21 VAL 91 18.676 -5.009 -2.151 628 HG22 VAL 91 HG22 VAL 91 20.053 -6.107 -2.066 629 HG23 VAL 91 HG23 VAL 91 19.251 -5.816 -3.610 630 H LYS 92 H LYS 92 18.988 -10.249 -1.468 631 HA LYS 92 HA LYS 92 16.530 -11.665 -2.208 632 HB2 LYS 92 HB2 LYS 92 19.141 -12.496 -1.013 633 HB3 LYS 92 HB3 LYS 92 17.712 -13.467 -0.686 634 HG2 LYS 92 HG2 LYS 92 18.506 -14.530 -2.536 635 HG3 LYS 92 HG3 LYS 92 17.436 -13.350 -3.298 636 HD2 LYS 92 HD2 LYS 92 19.480 -13.296 -4.504 637 HD3 LYS 92 HD3 LYS 92 19.441 -11.838 -3.511 638 HE2 LYS 92 HE2 LYS 92 20.912 -12.853 -1.889 639 HE3 LYS 92 HE3 LYS 92 20.867 -14.386 -2.758 640 HZ1 LYS 92 HZ1 LYS 92 22.537 -13.706 -4.015 641 HZ2 LYS 92 HZ2 LYS 92 22.629 -12.267 -3.132 642 HZ3 LYS 92 HZ3 LYS 92 21.667 -12.346 -4.521 643 H PHE 93 H PHE 93 14.858 -10.976 -1.014 644 HA PHE 93 HA PHE 93 13.572 -10.411 0.779 645 HB2 PHE 93 HB2 PHE 93 15.297 -12.643 1.727 646 HB3 PHE 93 HB3 PHE 93 14.373 -11.766 2.942 647 HD1 PHE 93 HD2 PHE 93 11.850 -11.520 2.534 648 HD2 PHE 93 HD1 PHE 93 14.306 -14.336 0.497 649 HE1 PHE 93 HE2 PHE 93 9.857 -12.850 1.977 650 HE2 PHE 93 HE1 PHE 93 12.317 -15.671 -0.064 651 HZ PHE 93 HZ PHE 93 10.088 -14.929 0.677 Start of MODEL 15 1 H1 ALA 1 H ALA 1 1.826 -0.505 0.530 2 HA ALA 1 HA ALA 1 2.746 -0.918 -1.577 3 HB1 ALA 1 HB1 ALA 1 0.466 0.582 -2.832 4 HB2 ALA 1 HB2 ALA 1 1.571 -0.569 -3.583 5 HB3 ALA 1 HB3 ALA 1 0.361 -1.132 -2.430 6 H ILE 2 H ILE 2 4.516 0.314 -1.473 7 HA ILE 2 HA ILE 2 4.420 3.158 -1.176 8 HB ILE 2 HB ILE 2 6.747 1.331 -1.778 9 HG12 ILE 2 HG12 ILE 2 7.218 2.120 0.703 10 HG13 ILE 2 HG13 ILE 2 5.474 2.361 0.723 11 HG21 ILE 2 HG21 ILE 2 7.692 3.278 -2.427 12 HG22 ILE 2 HG22 ILE 2 6.531 4.263 -1.539 13 HG23 ILE 2 HG23 ILE 2 7.878 3.507 -0.688 14 HD11 ILE 2 HD11 ILE 2 6.368 0.135 1.558 15 HD12 ILE 2 HD12 ILE 2 5.048 0.088 0.389 16 HD13 ILE 2 HD13 ILE 2 6.701 -0.234 -0.134 17 H SER 3 H SER 3 4.096 4.575 -2.746 18 HA SER 3 HA SER 3 4.504 3.763 -5.524 19 HB2 SER 3 HB2 SER 3 2.416 4.741 -5.420 20 HB3 SER 3 HB3 SER 3 2.893 5.876 -4.157 21 HG SER 3 HG SER 3 2.925 7.192 -5.822 22 H CYS 4 H CYS 4 4.893 6.926 -3.949 23 HA CYS 4 HA CYS 4 7.679 7.112 -4.262 24 HB2 CYS 4 HB2 CYS 4 6.424 7.298 -6.704 25 HB3 CYS 4 HB3 CYS 4 6.593 8.987 -6.236 26 H GLY 5 H GLY 5 4.611 8.870 -4.290 27 HA2 GLY 5 HA2 GLY 5 5.492 11.360 -3.419 28 HA3 GLY 5 HA3 GLY 5 3.903 10.688 -3.082 29 H ALA 6 H ALA 6 4.910 8.426 -1.573 30 HA ALA 6 HA ALA 6 5.136 9.720 0.979 31 HB1 ALA 6 HB1 ALA 6 5.477 7.173 1.638 32 HB2 ALA 6 HB2 ALA 6 3.892 7.830 1.226 33 HB3 ALA 6 HB3 ALA 6 4.814 6.930 0.022 34 H VAL 7 H VAL 7 7.319 8.236 -1.282 35 HA VAL 7 HA VAL 7 9.478 7.861 0.559 36 HB VAL 7 HB VAL 7 9.568 8.029 -2.457 37 HG11 VAL 7 HG11 VAL 7 11.636 7.906 -0.529 38 HG12 VAL 7 HG12 VAL 7 11.559 6.334 -1.328 39 HG13 VAL 7 HG13 VAL 7 11.769 7.802 -2.285 40 HG21 VAL 7 HG21 VAL 7 9.466 5.556 -0.741 41 HG22 VAL 7 HG22 VAL 7 8.049 6.269 -1.511 42 HG23 VAL 7 HG23 VAL 7 9.374 5.654 -2.499 43 H THR 8 H THR 8 8.628 10.331 -1.832 44 HA THR 8 HA THR 8 10.971 11.883 -1.541 45 HB THR 8 HB THR 8 8.279 12.999 -2.311 46 HG1 THR 8 HG1 THR 8 10.118 11.702 -4.056 47 HG21 THR 8 HG21 THR 8 10.041 14.128 -3.977 48 HG22 THR 8 HG22 THR 8 11.116 13.804 -2.617 49 HG23 THR 8 HG23 THR 8 9.676 14.795 -2.387 50 H SER 9 H SER 9 8.162 11.535 0.410 51 HA SER 9 HA SER 9 8.080 14.035 1.676 52 HB2 SER 9 HB2 SER 9 6.486 11.918 1.806 53 HB3 SER 9 HB3 SER 9 7.451 11.569 3.240 54 HG SER 9 HG SER 9 5.881 13.864 2.706 55 H ASP 10 H ASP 10 9.707 11.029 2.673 56 HA ASP 10 HA ASP 10 11.004 12.277 4.901 57 HB2 ASP 10 HB2 ASP 10 11.890 9.686 3.660 58 HB3 ASP 10 HB3 ASP 10 11.947 10.176 5.351 59 H LEU 11 H LEU 11 11.673 11.982 1.552 60 HA LEU 11 HA LEU 11 14.506 12.186 1.664 61 HB2 LEU 11 HB2 LEU 11 12.462 12.669 -0.475 62 HB3 LEU 11 HB3 LEU 11 14.167 13.025 -0.744 63 HG LEU 11 HG LEU 11 13.051 10.310 -0.040 64 HD11 LEU 11 HD11 LEU 11 13.650 11.651 -2.632 65 HD12 LEU 11 HD12 LEU 11 12.326 10.571 -2.200 66 HD13 LEU 11 HD13 LEU 11 13.942 9.919 -2.470 67 HD21 LEU 11 HD21 LEU 11 15.593 10.148 -1.221 68 HD22 LEU 11 HD22 LEU 11 15.151 9.782 0.447 69 HD23 LEU 11 HD23 LEU 11 15.702 11.401 0.015 70 H SER 12 H SER 12 11.881 14.515 1.564 71 HA SER 12 HA SER 12 13.258 16.828 0.913 72 HB2 SER 12 HB2 SER 12 10.795 16.225 2.470 73 HB3 SER 12 HB3 SER 12 11.483 17.839 2.645 74 HG SER 12 HG SER 12 11.083 18.259 0.571 75 HA PRO 13 HA PRO 13 14.222 17.504 5.602 76 HB2 PRO 13 HB2 PRO 13 13.800 15.405 7.270 77 HB3 PRO 13 HB3 PRO 13 12.559 16.611 6.912 78 HG2 PRO 13 HG2 PRO 13 12.933 13.877 5.752 79 HG3 PRO 13 HG3 PRO 13 11.439 14.676 6.274 80 HD2 PRO 13 HD2 PRO 13 12.176 14.522 3.673 81 HD3 PRO 13 HD3 PRO 13 11.262 15.896 4.326 82 H CYS 14 H CYS 14 14.815 14.428 4.068 83 HA CYS 14 HA CYS 14 17.284 13.953 5.496 84 HB2 CYS 14 HB2 CYS 14 15.822 12.539 3.282 85 HB3 CYS 14 HB3 CYS 14 17.478 12.102 3.688 86 H LEU 15 H LEU 15 16.303 15.734 2.778 87 HA LEU 15 HA LEU 15 18.606 15.531 1.156 88 HB2 LEU 15 HB2 LEU 15 16.304 17.382 1.384 89 HB3 LEU 15 HB3 LEU 15 17.730 17.976 0.536 90 HG LEU 15 HG LEU 15 16.104 15.540 -0.190 91 HD11 LEU 15 HD11 LEU 15 15.812 16.987 -2.306 92 HD12 LEU 15 HD12 LEU 15 16.267 18.331 -1.258 93 HD13 LEU 15 HD13 LEU 15 14.844 17.360 -0.880 94 HD21 LEU 15 HD21 LEU 15 17.709 16.072 -2.316 95 HD22 LEU 15 HD22 LEU 15 18.041 14.850 -1.089 96 HD23 LEU 15 HD23 LEU 15 18.783 16.446 -0.968 97 H THR 16 H THR 16 17.671 17.866 3.664 98 HA THR 16 HA THR 16 19.779 19.629 3.507 99 HB THR 16 HB THR 16 18.514 18.659 6.077 100 HG1 THR 16 HG1 THR 16 16.788 19.518 5.195 101 HG21 THR 16 HG21 THR 16 20.210 21.011 5.343 102 HG22 THR 16 HG22 THR 16 20.289 19.971 6.766 103 HG23 THR 16 HG23 THR 16 19.003 21.169 6.619 104 H TYR 17 H TYR 17 19.667 16.484 5.110 105 HA TYR 17 HA TYR 17 22.364 16.753 6.121 106 HB2 TYR 17 HB2 TYR 17 20.629 15.538 7.402 107 HB3 TYR 17 HB3 TYR 17 20.534 14.344 6.113 108 HD1 TYR 17 HD2 TYR 17 23.286 15.964 8.068 109 HD2 TYR 17 HD1 TYR 17 21.557 12.352 6.631 110 HE1 TYR 17 HE2 TYR 17 25.096 14.681 9.131 111 HE2 TYR 17 HE1 TYR 17 23.361 11.059 7.691 112 HH TYR 17 HH TYR 17 25.026 11.196 9.295 113 H LEU 18 H LEU 18 20.692 15.053 3.529 114 HA LEU 18 HA LEU 18 22.906 13.486 2.698 115 HB2 LEU 18 HB2 LEU 18 20.274 14.244 1.535 116 HB3 LEU 18 HB3 LEU 18 21.496 13.555 0.469 117 HG LEU 18 HG LEU 18 20.353 12.231 2.928 118 HD11 LEU 18 HD11 LEU 18 18.878 12.492 0.860 119 HD12 LEU 18 HD12 LEU 18 19.095 10.866 1.507 120 HD13 LEU 18 HD13 LEU 18 19.993 11.373 0.076 121 HD21 LEU 18 HD21 LEU 18 22.059 10.819 2.841 122 HD22 LEU 18 HD22 LEU 18 22.787 11.788 1.559 123 HD23 LEU 18 HD23 LEU 18 21.701 10.458 1.153 124 H THR 19 H THR 19 22.299 16.782 2.485 125 HA THR 19 HA THR 19 23.850 17.156 0.038 126 HB THR 19 HB THR 19 23.399 19.646 0.610 127 HG1 THR 19 HG1 THR 19 21.253 19.616 1.835 128 HG21 THR 19 HG21 THR 19 20.774 18.499 0.076 129 HG22 THR 19 HG22 THR 19 22.051 17.768 -0.897 130 HG23 THR 19 HG23 THR 19 21.793 19.512 -0.946 131 H GLY 20 H GLY 20 24.342 16.969 3.376 132 HA2 GLY 20 HA2 GLY 20 26.691 16.890 4.078 133 HA3 GLY 20 HA3 GLY 20 26.958 18.311 3.079 134 H GLY 21 H GLY 21 24.027 18.792 4.440 135 HA2 GLY 21 HA2 GLY 21 25.047 20.751 6.269 136 HA3 GLY 21 HA3 GLY 21 23.354 20.370 5.986 137 HA PRO 22 HA PRO 22 24.547 18.908 10.239 138 HB2 PRO 22 HB2 PRO 22 22.444 20.074 11.499 139 HB3 PRO 22 HB3 PRO 22 23.971 20.913 11.200 140 HG2 PRO 22 HG2 PRO 22 21.400 21.056 9.672 141 HG3 PRO 22 HG3 PRO 22 22.495 22.369 10.145 142 HD2 PRO 22 HD2 PRO 22 22.474 21.316 7.650 143 HD3 PRO 22 HD3 PRO 22 23.950 21.951 8.407 144 H GLY 23 H GLY 23 23.784 17.048 11.095 145 HA2 GLY 23 HA2 GLY 23 21.227 16.169 11.423 146 HA3 GLY 23 HA3 GLY 23 21.605 15.718 9.767 147 HA PRO 24 HA PRO 24 20.734 13.910 9.495 148 HB2 PRO 24 HB2 PRO 24 19.478 11.702 10.454 149 HB3 PRO 24 HB3 PRO 24 20.828 11.621 9.316 150 HG2 PRO 24 HG2 PRO 24 20.832 11.258 12.288 151 HG3 PRO 24 HG3 PRO 24 21.676 10.317 11.045 152 HD2 PRO 24 HD2 PRO 24 22.913 12.217 12.525 153 HD3 PRO 24 HD3 PRO 24 23.372 11.865 10.847 154 H SER 25 H SER 25 18.868 14.981 9.764 155 HA SER 25 HA SER 25 18.132 16.051 12.261 156 HB2 SER 25 HB2 SER 25 16.576 17.271 11.099 157 HB3 SER 25 HB3 SER 25 17.582 16.762 9.743 158 HG SER 25 HG SER 25 15.359 16.376 9.357 159 HA PRO 26 HA PRO 26 15.424 13.120 14.082 160 HB2 PRO 26 HB2 PRO 26 13.379 14.656 14.993 161 HB3 PRO 26 HB3 PRO 26 14.988 14.665 15.725 162 HG2 PRO 26 HG2 PRO 26 13.782 16.592 13.777 163 HG3 PRO 26 HG3 PRO 26 14.760 16.923 15.219 164 HD2 PRO 26 HD2 PRO 26 15.794 16.967 12.717 165 HD3 PRO 26 HD3 PRO 26 16.742 16.472 14.134 166 H GLN 27 H GLN 27 13.696 15.450 12.021 167 HA GLN 27 HA GLN 27 11.412 13.846 11.604 168 HB2 GLN 27 HB2 GLN 27 12.600 16.148 10.067 169 HB3 GLN 27 HB3 GLN 27 11.116 15.351 9.559 170 HG2 GLN 27 HG2 GLN 27 9.952 16.054 11.464 171 HG3 GLN 27 HG3 GLN 27 11.436 16.480 12.316 172 HE21 GLN 27 HE21 GLN 27 9.783 18.395 12.482 173 HE22 GLN 27 HE22 GLN 27 10.054 19.666 11.344 174 H CYS 28 H CYS 28 14.484 14.116 9.912 175 HA CYS 28 HA CYS 28 13.788 12.603 7.636 176 HB2 CYS 28 HB2 CYS 28 15.750 13.902 7.465 177 HB3 CYS 28 HB3 CYS 28 16.413 13.250 8.960 178 H CYS 29 H CYS 29 15.423 11.673 10.656 179 HA CYS 29 HA CYS 29 15.873 9.002 10.121 180 HB2 CYS 29 HB2 CYS 29 15.320 10.506 12.658 181 HB3 CYS 29 HB3 CYS 29 15.498 8.755 12.692 182 H GLY 30 H GLY 30 12.989 10.447 11.639 183 HA2 GLY 30 HA2 GLY 30 11.523 8.120 12.029 184 HA3 GLY 30 HA3 GLY 30 10.820 9.707 11.754 185 H GLY 31 H GLY 31 11.670 10.185 9.144 186 HA2 GLY 31 HA2 GLY 31 9.713 8.735 7.685 187 HA3 GLY 31 HA3 GLY 31 10.887 9.854 7.008 188 H VAL 32 H VAL 32 13.254 8.573 7.756 189 HA VAL 32 HA VAL 32 13.662 6.807 5.657 190 HB VAL 32 HB VAL 32 15.214 6.901 8.249 191 HG11 VAL 32 HG11 VAL 32 15.727 5.653 5.581 192 HG12 VAL 32 HG12 VAL 32 17.075 6.207 6.574 193 HG13 VAL 32 HG13 VAL 32 15.966 4.984 7.195 194 HG21 VAL 32 HG21 VAL 32 14.920 8.828 6.145 195 HG22 VAL 32 HG22 VAL 32 15.851 8.941 7.639 196 HG23 VAL 32 HG23 VAL 32 16.583 8.241 6.195 197 H LYS 33 H LYS 33 13.462 5.945 9.116 198 HA LYS 33 HA LYS 33 13.405 3.177 8.748 199 HB2 LYS 33 HB2 LYS 33 12.504 4.997 10.953 200 HB3 LYS 33 HB3 LYS 33 12.149 3.277 11.042 201 HG2 LYS 33 HG2 LYS 33 14.482 2.731 10.980 202 HG3 LYS 33 HG3 LYS 33 14.912 4.418 10.689 203 HD2 LYS 33 HD2 LYS 33 14.726 4.961 12.862 204 HD3 LYS 33 HD3 LYS 33 13.267 3.991 13.077 205 HE2 LYS 33 HE2 LYS 33 15.456 2.229 12.646 206 HE3 LYS 33 HE3 LYS 33 15.927 3.399 13.877 207 HZ1 LYS 33 HZ1 LYS 33 14.799 2.145 15.297 208 HZ2 LYS 33 HZ2 LYS 33 14.102 1.219 14.065 209 HZ3 LYS 33 HZ3 LYS 33 13.376 2.669 14.547 210 H LYS 34 H LYS 34 10.960 5.551 8.277 211 HA LYS 34 HA LYS 34 8.707 3.808 8.527 212 HB2 LYS 34 HB2 LYS 34 8.748 6.373 8.693 213 HB3 LYS 34 HB3 LYS 34 8.762 6.363 6.934 214 HG2 LYS 34 HG2 LYS 34 6.568 6.098 6.884 215 HG3 LYS 34 HG3 LYS 34 6.690 4.632 7.859 216 HD2 LYS 34 HD2 LYS 34 5.280 6.118 9.052 217 HD3 LYS 34 HD3 LYS 34 6.837 6.132 9.883 218 HE2 LYS 34 HE2 LYS 34 6.807 8.133 7.829 219 HE3 LYS 34 HE3 LYS 34 5.396 8.325 8.868 220 HZ1 LYS 34 HZ1 LYS 34 6.824 9.452 10.151 221 HZ2 LYS 34 HZ2 LYS 34 8.196 8.742 9.462 222 HZ3 LYS 34 HZ3 LYS 34 7.336 7.924 10.667 223 H LEU 35 H LEU 35 10.696 4.958 5.845 224 HA LEU 35 HA LEU 35 9.136 3.847 3.769 225 HB2 LEU 35 HB2 LEU 35 10.911 5.600 3.532 226 HB3 LEU 35 HB3 LEU 35 12.110 4.326 3.744 227 HG LEU 35 HG LEU 35 10.081 4.172 1.542 228 HD11 LEU 35 HD11 LEU 35 12.470 5.930 1.723 229 HD12 LEU 35 HD12 LEU 35 10.930 6.191 0.904 230 HD13 LEU 35 HD13 LEU 35 12.137 5.121 0.192 231 HD21 LEU 35 HD21 LEU 35 11.184 2.167 1.625 232 HD22 LEU 35 HD22 LEU 35 12.673 2.884 2.240 233 HD23 LEU 35 HD23 LEU 35 12.244 3.065 0.538 234 H LEU 36 H LEU 36 11.882 2.608 5.623 235 HA LEU 36 HA LEU 36 12.055 0.161 4.152 236 HB2 LEU 36 HB2 LEU 36 13.307 1.282 6.604 237 HB3 LEU 36 HB3 LEU 36 13.366 -0.463 6.365 238 HG LEU 36 HG LEU 36 14.362 1.481 4.297 239 HD11 LEU 36 HD11 LEU 36 16.637 0.904 5.211 240 HD12 LEU 36 HD12 LEU 36 15.815 0.287 6.644 241 HD13 LEU 36 HD13 LEU 36 15.665 1.988 6.207 242 HD21 LEU 36 HD21 LEU 36 14.222 -1.424 4.596 243 HD22 LEU 36 HD22 LEU 36 15.817 -0.826 4.138 244 HD23 LEU 36 HD23 LEU 36 14.411 -0.438 3.146 245 H ALA 37 H ALA 37 10.500 1.193 7.136 246 HA ALA 37 HA ALA 37 9.688 -1.439 7.917 247 HB1 ALA 37 HB1 ALA 37 9.950 0.184 9.637 248 HB2 ALA 37 HB2 ALA 37 8.840 1.299 8.839 249 HB3 ALA 37 HB3 ALA 37 8.232 -0.202 9.539 250 H ALA 38 H ALA 38 8.432 1.001 5.819 251 HA ALA 38 HA ALA 38 5.723 0.030 5.827 252 HB1 ALA 38 HB1 ALA 38 7.196 2.029 4.133 253 HB2 ALA 38 HB2 ALA 38 5.522 1.568 3.817 254 HB3 ALA 38 HB3 ALA 38 5.954 2.324 5.351 255 H ALA 39 H ALA 39 8.612 -0.959 4.380 256 HA ALA 39 HA ALA 39 7.117 -2.575 2.420 257 HB1 ALA 39 HB1 ALA 39 9.879 -1.412 2.076 258 HB2 ALA 39 HB2 ALA 39 9.057 -2.474 0.931 259 HB3 ALA 39 HB3 ALA 39 8.412 -0.867 1.263 260 H ASN 40 H ASN 40 6.972 -4.315 3.873 261 HA ASN 40 HA ASN 40 9.366 -5.438 5.031 262 HB2 ASN 40 HB2 ASN 40 7.896 -7.100 6.006 263 HB3 ASN 40 HB3 ASN 40 7.173 -5.506 6.204 264 HD21 ASN 40 HD21 ASN 40 6.457 -8.578 5.543 265 HD22 ASN 40 HD22 ASN 40 5.057 -8.372 4.551 266 H THR 41 H THR 41 7.234 -6.095 2.323 267 HA THR 41 HA THR 41 8.558 -8.588 1.676 268 HB THR 41 HB THR 41 7.020 -8.787 -0.148 269 HG1 THR 41 HG1 THR 41 5.590 -6.992 -0.623 270 HG21 THR 41 HG21 THR 41 4.833 -8.471 0.998 271 HG22 THR 41 HG22 THR 41 5.672 -7.586 2.272 272 HG23 THR 41 HG23 THR 41 6.036 -9.289 1.994 273 H THR 42 H THR 42 8.902 -8.703 -0.930 274 HA THR 42 HA THR 42 11.187 -6.995 -1.379 275 HB THR 42 HB THR 42 10.195 -8.805 -3.525 276 HG1 THR 42 HG1 THR 42 11.404 -9.752 -1.120 277 HG21 THR 42 HG21 THR 42 12.239 -8.171 -4.210 278 HG22 THR 42 HG22 THR 42 12.839 -9.341 -3.034 279 HG23 THR 42 HG23 THR 42 12.713 -7.637 -2.597 280 HA PRO 43 HA PRO 43 8.192 -5.956 -5.239 281 HB2 PRO 43 HB2 PRO 43 5.741 -6.036 -3.540 282 HB3 PRO 43 HB3 PRO 43 5.938 -6.435 -5.251 283 HG2 PRO 43 HG2 PRO 43 5.710 -8.348 -3.388 284 HG3 PRO 43 HG3 PRO 43 6.761 -8.546 -4.803 285 HD2 PRO 43 HD2 PRO 43 7.465 -8.048 -1.978 286 HD3 PRO 43 HD3 PRO 43 8.375 -8.893 -3.247 287 H ASP 44 H ASP 44 7.014 -5.057 -1.989 288 HA ASP 44 HA ASP 44 6.561 -2.346 -2.616 289 HB2 ASP 44 HB2 ASP 44 6.721 -3.960 -0.122 290 HB3 ASP 44 HB3 ASP 44 6.883 -2.213 0.037 291 H ARG 45 H ARG 45 9.326 -4.016 -1.169 292 HA ARG 45 HA ARG 45 10.848 -1.731 -0.566 293 HB2 ARG 45 HB2 ARG 45 11.479 -4.626 -0.986 294 HB3 ARG 45 HB3 ARG 45 12.797 -3.469 -0.865 295 HG2 ARG 45 HG2 ARG 45 10.639 -3.663 1.211 296 HG3 ARG 45 HG3 ARG 45 12.103 -4.647 1.265 297 HD2 ARG 45 HD2 ARG 45 13.340 -2.388 1.013 298 HD3 ARG 45 HD3 ARG 45 11.809 -1.678 1.523 299 HE ARG 45 HE ARG 45 12.289 -2.332 3.651 300 HH11 ARG 45 HH11 ARG 45 14.149 -4.285 1.449 301 HH12 ARG 45 HH12 ARG 45 15.020 -5.102 2.704 302 HH21 ARG 45 HH21 ARG 45 13.429 -3.401 5.312 303 HH22 ARG 45 HH22 ARG 45 14.609 -4.599 4.901 304 H GLN 46 H GLN 46 10.405 -3.545 -3.520 305 HA GLN 46 HA GLN 46 12.616 -2.497 -4.941 306 HB2 GLN 46 HB2 GLN 46 10.127 -3.964 -5.639 307 HB3 GLN 46 HB3 GLN 46 10.939 -3.098 -6.936 308 HG2 GLN 46 HG2 GLN 46 12.992 -4.327 -6.490 309 HG3 GLN 46 HG3 GLN 46 12.198 -5.182 -5.168 310 HE21 GLN 46 HE21 GLN 46 10.877 -6.878 -5.607 311 HE22 GLN 46 HE22 GLN 46 10.637 -7.525 -7.191 312 H ALA 47 H ALA 47 9.179 -1.582 -4.888 313 HA ALA 47 HA ALA 47 9.266 0.500 -6.718 314 HB1 ALA 47 HB1 ALA 47 7.288 -0.591 -5.363 315 HB2 ALA 47 HB2 ALA 47 7.547 0.799 -4.308 316 HB3 ALA 47 HB3 ALA 47 7.161 1.045 -6.011 317 H ALA 48 H ALA 48 9.451 0.802 -3.163 318 HA ALA 48 HA ALA 48 10.032 3.519 -3.067 319 HB1 ALA 48 HB1 ALA 48 9.395 2.104 -1.127 320 HB2 ALA 48 HB2 ALA 48 11.028 1.437 -1.129 321 HB3 ALA 48 HB3 ALA 48 10.778 3.154 -0.815 322 H CYS 49 H CYS 49 12.316 0.782 -2.966 323 HA CYS 49 HA CYS 49 14.691 2.140 -2.811 324 HB2 CYS 49 HB2 CYS 49 13.884 -0.440 -4.077 325 HB3 CYS 49 HB3 CYS 49 15.501 0.176 -4.402 326 H ASN 50 H ASN 50 12.689 1.607 -5.662 327 HA ASN 50 HA ASN 50 14.518 2.602 -7.568 328 HB2 ASN 50 HB2 ASN 50 11.493 2.524 -7.652 329 HB3 ASN 50 HB3 ASN 50 12.538 2.826 -9.038 330 HD21 ASN 50 HD21 ASN 50 10.599 0.691 -8.548 331 HD22 ASN 50 HD22 ASN 50 11.476 -0.789 -8.709 332 H CYS 51 H CYS 51 11.960 4.151 -5.678 333 HA CYS 51 HA CYS 51 12.235 6.705 -6.902 334 HB2 CYS 51 HB2 CYS 51 10.951 5.771 -4.339 335 HB3 CYS 51 HB3 CYS 51 10.973 7.467 -4.810 336 H LEU 52 H LEU 52 13.696 5.140 -4.124 337 HA LEU 52 HA LEU 52 14.938 7.508 -3.106 338 HB2 LEU 52 HB2 LEU 52 15.032 4.605 -2.513 339 HB3 LEU 52 HB3 LEU 52 16.404 5.581 -1.993 340 HG LEU 52 HG LEU 52 13.534 6.084 -1.207 341 HD11 LEU 52 HD11 LEU 52 14.295 5.280 1.023 342 HD12 LEU 52 HD12 LEU 52 15.785 4.724 0.262 343 HD13 LEU 52 HD13 LEU 52 14.238 4.025 -0.215 344 HD21 LEU 52 HD21 LEU 52 14.235 8.026 -0.397 345 HD22 LEU 52 HD22 LEU 52 15.811 7.742 -1.135 346 HD23 LEU 52 HD23 LEU 52 15.506 7.221 0.522 347 H LYS 53 H LYS 53 16.255 4.607 -4.713 348 HA LYS 53 HA LYS 53 18.867 5.423 -5.009 349 HB2 LYS 53 HB2 LYS 53 17.559 3.219 -5.727 350 HB3 LYS 53 HB3 LYS 53 17.602 4.000 -7.302 351 HG2 LYS 53 HG2 LYS 53 19.616 3.120 -7.574 352 HG3 LYS 53 HG3 LYS 53 20.195 4.241 -6.340 353 HD2 LYS 53 HD2 LYS 53 18.911 1.724 -5.425 354 HD3 LYS 53 HD3 LYS 53 20.524 1.611 -6.133 355 HE2 LYS 53 HE2 LYS 53 21.466 2.430 -4.291 356 HE3 LYS 53 HE3 LYS 53 20.366 3.808 -4.272 357 HZ1 LYS 53 HZ1 LYS 53 18.982 1.492 -3.464 358 HZ2 LYS 53 HZ2 LYS 53 19.280 2.906 -2.585 359 HZ3 LYS 53 HZ3 LYS 53 20.394 1.634 -2.543 360 H SER 54 H SER 54 16.095 6.166 -7.074 361 HA SER 54 HA SER 54 17.642 7.601 -9.008 362 HB2 SER 54 HB2 SER 54 14.678 7.375 -8.485 363 HB3 SER 54 HB3 SER 54 15.333 8.405 -9.758 364 HG SER 54 HG SER 54 16.157 5.730 -9.611 365 H ALA 55 H ALA 55 16.009 8.394 -6.042 366 HA ALA 55 HA ALA 55 15.909 11.215 -6.449 367 HB1 ALA 55 HB1 ALA 55 14.380 10.454 -4.878 368 HB2 ALA 55 HB2 ALA 55 15.568 9.430 -4.070 369 HB3 ALA 55 HB3 ALA 55 15.641 11.182 -3.882 370 H ALA 56 H ALA 56 18.050 9.116 -4.523 371 HA ALA 56 HA ALA 56 19.770 11.185 -3.668 372 HB1 ALA 56 HB1 ALA 56 21.178 9.489 -2.828 373 HB2 ALA 56 HB2 ALA 56 19.533 8.872 -2.668 374 HB3 ALA 56 HB3 ALA 56 20.565 8.303 -3.981 375 H GLY 57 H GLY 57 19.428 9.614 -6.677 376 HA2 GLY 57 HA2 GLY 57 22.117 9.827 -7.597 377 HA3 GLY 57 HA3 GLY 57 20.693 9.596 -8.600 378 H SER 58 H SER 58 19.674 12.144 -7.109 379 HA SER 58 HA SER 58 20.923 14.005 -9.010 380 HB2 SER 58 HB2 SER 58 18.775 15.380 -8.204 381 HB3 SER 58 HB3 SER 58 18.691 14.185 -9.498 382 HG SER 58 HG SER 58 17.437 13.024 -8.288 383 H ILE 59 H ILE 59 21.885 13.182 -6.273 384 HA ILE 59 HA ILE 59 21.658 15.653 -4.754 385 HB ILE 59 HB ILE 59 23.175 13.119 -4.119 386 HG12 ILE 59 HG12 ILE 59 20.704 12.858 -4.207 387 HG13 ILE 59 HG13 ILE 59 21.359 12.619 -2.591 388 HG21 ILE 59 HG21 ILE 59 24.206 14.922 -2.962 389 HG22 ILE 59 HG22 ILE 59 22.646 15.603 -2.504 390 HG23 ILE 59 HG23 ILE 59 23.184 14.079 -1.798 391 HD11 ILE 59 HD11 ILE 59 19.268 13.923 -2.629 392 HD12 ILE 59 HD12 ILE 59 20.622 14.803 -1.921 393 HD13 ILE 59 HD13 ILE 59 20.095 15.169 -3.563 394 H THR 60 H THR 60 22.902 17.285 -5.405 395 HA THR 60 HA THR 60 25.210 17.120 -6.950 396 HB THR 60 HB THR 60 24.118 19.224 -6.837 397 HG1 THR 60 HG1 THR 60 25.892 20.439 -6.638 398 HG21 THR 60 HG21 THR 60 23.065 19.826 -4.967 399 HG22 THR 60 HG22 THR 60 24.631 20.253 -4.277 400 HG23 THR 60 HG23 THR 60 23.965 18.639 -4.025 401 H LYS 61 H LYS 61 27.189 16.429 -6.511 402 HA LYS 61 HA LYS 61 29.040 15.734 -5.383 403 HB2 LYS 61 HB2 LYS 61 28.187 18.146 -3.816 404 HB3 LYS 61 HB3 LYS 61 29.563 17.188 -3.285 405 HG2 LYS 61 HG2 LYS 61 30.244 17.525 -5.847 406 HG3 LYS 61 HG3 LYS 61 29.284 18.987 -5.609 407 HD2 LYS 61 HD2 LYS 61 31.411 18.200 -3.647 408 HD3 LYS 61 HD3 LYS 61 31.818 19.075 -5.125 409 HE2 LYS 61 HE2 LYS 61 31.328 20.951 -4.031 410 HE3 LYS 61 HE3 LYS 61 29.640 20.447 -4.076 411 HZ1 LYS 61 HZ1 LYS 61 30.320 20.969 -1.830 412 HZ2 LYS 61 HZ2 LYS 61 31.578 19.842 -1.909 413 HZ3 LYS 61 HZ3 LYS 61 29.970 19.319 -1.955 414 H LEU 62 H LEU 62 26.873 14.153 -4.904 415 HA LEU 62 HA LEU 62 26.033 13.733 -2.315 416 HB2 LEU 62 HB2 LEU 62 25.079 12.513 -4.143 417 HB3 LEU 62 HB3 LEU 62 26.622 11.733 -4.488 418 HG LEU 62 HG LEU 62 26.267 10.842 -1.999 419 HD11 LEU 62 HD11 LEU 62 24.191 10.911 -1.194 420 HD12 LEU 62 HD12 LEU 62 23.483 10.479 -2.750 421 HD13 LEU 62 HD13 LEU 62 23.883 12.160 -2.401 422 HD21 LEU 62 HD21 LEU 62 25.771 9.849 -4.666 423 HD22 LEU 62 HD22 LEU 62 24.711 9.078 -3.485 424 HD23 LEU 62 HD23 LEU 62 26.461 9.026 -3.267 425 H ASN 63 H ASN 63 26.817 12.719 -0.523 426 HA ASN 63 HA ASN 63 29.655 11.942 -0.611 427 HB2 ASN 63 HB2 ASN 63 28.694 13.906 0.886 428 HB3 ASN 63 HB3 ASN 63 28.280 12.576 1.964 429 HD21 ASN 63 HD21 ASN 63 30.406 14.856 1.730 430 HD22 ASN 63 HD22 ASN 63 31.853 14.061 2.240 431 H THR 64 H THR 64 29.716 9.788 -0.862 432 HA THR 64 HA THR 64 27.819 7.925 -0.101 433 HB THR 64 HB THR 64 29.742 6.261 -0.106 434 HG1 THR 64 HG1 THR 64 31.753 7.043 -0.703 435 HG21 THR 64 HG21 THR 64 28.547 7.738 -2.221 436 HG22 THR 64 HG22 THR 64 29.184 6.094 -2.255 437 HG23 THR 64 HG23 THR 64 30.237 7.456 -2.638 438 H ASN 65 H ASN 65 30.376 9.392 1.786 439 HA ASN 65 HA ASN 65 30.256 7.581 3.974 440 HB2 ASN 65 HB2 ASN 65 31.371 10.355 3.622 441 HB3 ASN 65 HB3 ASN 65 31.378 9.561 5.194 442 HD21 ASN 65 HD21 ASN 65 33.468 10.358 3.114 443 HD22 ASN 65 HD22 ASN 65 34.451 8.944 2.970 444 H ASN 66 H ASN 66 28.763 10.728 3.320 445 HA ASN 66 HA ASN 66 27.438 10.896 5.837 446 HB2 ASN 66 HB2 ASN 66 26.739 12.321 3.261 447 HB3 ASN 66 HB3 ASN 66 26.269 12.798 4.890 448 HD21 ASN 66 HD21 ASN 66 27.498 14.603 3.323 449 HD22 ASN 66 HD22 ASN 66 29.111 14.890 3.873 450 H ALA 67 H ALA 67 26.533 9.730 2.637 451 HA ALA 67 HA ALA 67 23.786 9.379 3.099 452 HB1 ALA 67 HB1 ALA 67 24.203 7.484 1.292 453 HB2 ALA 67 HB2 ALA 67 24.249 9.198 0.877 454 HB3 ALA 67 HB3 ALA 67 25.751 8.315 1.147 455 H ALA 68 H ALA 68 26.555 7.282 3.719 456 HA ALA 68 HA ALA 68 24.953 5.048 4.546 457 HB1 ALA 68 HB1 ALA 68 27.297 4.340 5.496 458 HB2 ALA 68 HB2 ALA 68 26.979 4.321 3.761 459 HB3 ALA 68 HB3 ALA 68 27.866 5.665 4.479 460 H ALA 69 H ALA 69 26.378 7.822 6.085 461 HA ALA 69 HA ALA 69 26.223 6.821 8.759 462 HB1 ALA 69 HB1 ALA 69 26.613 9.192 9.399 463 HB2 ALA 69 HB2 ALA 69 27.805 8.554 8.266 464 HB3 ALA 69 HB3 ALA 69 26.525 9.623 7.691 465 H LEU 70 H LEU 70 24.042 8.457 6.596 466 HA LEU 70 HA LEU 70 22.222 9.576 8.358 467 HB2 LEU 70 HB2 LEU 70 21.768 10.122 6.189 468 HB3 LEU 70 HB3 LEU 70 22.073 8.489 5.601 469 HG LEU 70 HG LEU 70 19.896 7.769 6.427 470 HD11 LEU 70 HD11 LEU 70 19.329 10.634 7.137 471 HD12 LEU 70 HD12 LEU 70 19.877 9.449 8.322 472 HD13 LEU 70 HD13 LEU 70 18.350 9.205 7.474 473 HD21 LEU 70 HD21 LEU 70 18.556 8.845 4.795 474 HD22 LEU 70 HD22 LEU 70 20.197 8.806 4.151 475 HD23 LEU 70 HD23 LEU 70 19.552 10.300 4.834 476 HA PRO 71 HA PRO 71 19.824 5.379 8.444 477 HB2 PRO 71 HB2 PRO 71 21.101 3.202 7.444 478 HB3 PRO 71 HB3 PRO 71 20.079 4.253 6.457 479 HG2 PRO 71 HG2 PRO 71 23.061 4.209 6.714 480 HG3 PRO 71 HG3 PRO 71 22.066 4.376 5.255 481 HD2 PRO 71 HD2 PRO 71 23.238 6.494 6.469 482 HD3 PRO 71 HD3 PRO 71 21.684 6.619 5.620 483 H GLY 72 H GLY 72 23.351 4.883 8.629 484 HA2 GLY 72 HA2 GLY 72 23.326 3.031 10.738 485 HA3 GLY 72 HA3 GLY 72 24.681 4.065 10.310 486 H LYS 73 H LYS 73 23.202 6.537 10.752 487 HA LYS 73 HA LYS 73 23.672 6.764 13.576 488 HB2 LYS 73 HB2 LYS 73 22.778 8.698 11.448 489 HB3 LYS 73 HB3 LYS 73 22.836 9.154 13.146 490 HG2 LYS 73 HG2 LYS 73 25.310 7.926 12.422 491 HG3 LYS 73 HG3 LYS 73 24.922 9.196 11.259 492 HD2 LYS 73 HD2 LYS 73 24.345 10.546 13.454 493 HD3 LYS 73 HD3 LYS 73 25.460 9.388 14.182 494 HE2 LYS 73 HE2 LYS 73 27.184 10.026 12.583 495 HE3 LYS 73 HE3 LYS 73 26.068 11.151 11.810 496 HZ1 LYS 73 HZ1 LYS 73 27.555 11.424 14.285 497 HZ2 LYS 73 HZ2 LYS 73 25.962 11.988 14.336 498 HZ3 LYS 73 HZ3 LYS 73 27.042 12.610 13.193 499 H CYS 74 H CYS 74 20.874 6.598 11.467 500 HA CYS 74 HA CYS 74 19.012 7.211 13.589 501 HB2 CYS 74 HB2 CYS 74 18.561 6.224 10.765 502 HB3 CYS 74 HB3 CYS 74 17.285 6.707 11.877 503 H GLY 75 H GLY 75 20.849 4.596 13.003 504 HA2 GLY 75 HA2 GLY 75 20.782 2.452 13.835 505 HA3 GLY 75 HA3 GLY 75 19.303 2.894 14.676 506 H VAL 76 H VAL 76 19.751 3.097 11.197 507 HA VAL 76 HA VAL 76 18.194 0.661 10.790 508 HB VAL 76 HB VAL 76 16.436 2.277 10.908 509 HG11 VAL 76 HG11 VAL 76 17.013 4.414 10.606 510 HG12 VAL 76 HG12 VAL 76 18.388 3.989 9.585 511 HG13 VAL 76 HG13 VAL 76 16.773 4.109 8.886 512 HG21 VAL 76 HG21 VAL 76 15.365 1.626 9.034 513 HG22 VAL 76 HG22 VAL 76 16.643 2.213 7.971 514 HG23 VAL 76 HG23 VAL 76 16.816 0.656 8.780 515 H ASN 77 H ASN 77 20.188 -0.096 9.906 516 HA ASN 77 HA ASN 77 21.196 1.212 7.512 517 HB2 ASN 77 HB2 ASN 77 22.856 -0.727 7.576 518 HB3 ASN 77 HB3 ASN 77 22.920 0.407 8.922 519 HD21 ASN 77 HD21 ASN 77 21.431 -2.653 7.950 520 HD22 ASN 77 HD22 ASN 77 21.496 -3.381 9.516 521 H ILE 78 H ILE 78 21.787 -0.337 5.652 522 HA ILE 78 HA ILE 78 19.476 -2.089 5.120 523 HB ILE 78 HB ILE 78 20.117 -1.535 2.641 524 HG12 ILE 78 HG12 ILE 78 22.095 -0.113 3.664 525 HG13 ILE 78 HG13 ILE 78 21.254 0.425 2.215 526 HG21 ILE 78 HG21 ILE 78 18.569 0.215 4.527 527 HG22 ILE 78 HG22 ILE 78 18.596 0.502 2.788 528 HG23 ILE 78 HG23 ILE 78 17.963 -1.017 3.421 529 HD11 ILE 78 HD11 ILE 78 21.725 2.072 4.181 530 HD12 ILE 78 HD12 ILE 78 20.196 2.136 3.304 531 HD13 ILE 78 HD13 ILE 78 20.280 1.337 4.873 532 HA PRO 79 HA PRO 79 22.186 -5.422 4.226 533 HB2 PRO 79 HB2 PRO 79 20.961 -6.615 2.117 534 HB3 PRO 79 HB3 PRO 79 20.323 -6.686 3.764 535 HG2 PRO 79 HG2 PRO 79 19.518 -4.906 1.495 536 HG3 PRO 79 HG3 PRO 79 18.495 -5.767 2.660 537 HD2 PRO 79 HD2 PRO 79 19.063 -3.129 2.890 538 HD3 PRO 79 HD3 PRO 79 18.807 -4.178 4.300 539 H TYR 80 H TYR 80 21.748 -2.906 2.000 540 HA TYR 80 HA TYR 80 24.169 -3.727 0.562 541 HB2 TYR 80 HB2 TYR 80 21.824 -4.034 -0.667 542 HB3 TYR 80 HB3 TYR 80 22.055 -2.321 -0.997 543 HD1 TYR 80 HD1 TYR 80 23.361 -5.703 -1.595 544 HD2 TYR 80 HD2 TYR 80 23.776 -1.568 -2.510 545 HE1 TYR 80 HE1 TYR 80 24.835 -6.274 -3.479 546 HE2 TYR 80 HE2 TYR 80 25.250 -2.128 -4.397 547 HH TYR 80 HH TYR 80 25.568 -4.232 -5.924 548 H LYS 81 H LYS 81 25.189 -1.893 -0.608 549 HA LYS 81 HA LYS 81 25.219 0.437 1.103 550 HB2 LYS 81 HB2 LYS 81 27.235 -0.790 -0.028 551 HB3 LYS 81 HB3 LYS 81 26.819 0.199 -1.421 552 HG2 LYS 81 HG2 LYS 81 27.409 2.162 -0.376 553 HG3 LYS 81 HG3 LYS 81 27.181 1.493 1.241 554 HD2 LYS 81 HD2 LYS 81 29.297 0.311 -0.482 555 HD3 LYS 81 HD3 LYS 81 29.593 1.899 0.229 556 HE2 LYS 81 HE2 LYS 81 28.675 -0.458 1.854 557 HE3 LYS 81 HE3 LYS 81 30.379 -0.122 1.557 558 HZ1 LYS 81 HZ1 LYS 81 29.833 0.862 3.614 559 HZ2 LYS 81 HZ2 LYS 81 28.426 1.574 3.003 560 HZ3 LYS 81 HZ3 LYS 81 29.943 2.138 2.510 561 H ILE 82 H ILE 82 25.246 2.638 0.143 562 HA ILE 82 HA ILE 82 22.986 2.922 -1.667 563 HB ILE 82 HB ILE 82 24.536 5.156 -0.369 564 HG12 ILE 82 HG12 ILE 82 23.831 3.651 1.403 565 HG13 ILE 82 HG13 ILE 82 22.821 5.093 1.425 566 HG21 ILE 82 HG21 ILE 82 22.389 5.075 -2.190 567 HG22 ILE 82 HG22 ILE 82 21.725 5.592 -0.641 568 HG23 ILE 82 HG23 ILE 82 23.063 6.482 -1.368 569 HD11 ILE 82 HD11 ILE 82 21.011 3.840 1.278 570 HD12 ILE 82 HD12 ILE 82 21.587 3.146 -0.238 571 HD13 ILE 82 HD13 ILE 82 22.023 2.396 1.297 572 H SER 83 H SER 83 23.221 3.213 -3.775 573 HA SER 83 HA SER 83 25.031 4.995 -4.963 574 HB2 SER 83 HB2 SER 83 26.368 3.161 -6.214 575 HB3 SER 83 HB3 SER 83 26.845 3.562 -4.564 576 HG SER 83 HG SER 83 26.195 1.655 -3.901 577 H THR 84 H THR 84 25.187 4.521 -7.436 578 HA THR 84 HA THR 84 22.480 4.142 -8.347 579 HB THR 84 HB THR 84 23.581 4.568 -10.640 580 HG1 THR 84 HG1 THR 84 25.651 5.769 -10.230 581 HG21 THR 84 HG21 THR 84 23.091 6.391 -8.397 582 HG22 THR 84 HG22 THR 84 22.532 6.474 -10.068 583 HG23 THR 84 HG23 THR 84 24.144 7.051 -9.647 584 H THR 85 H THR 85 24.852 2.015 -7.631 585 HA THR 85 HA THR 85 24.087 0.157 -9.787 586 HB THR 85 HB THR 85 26.159 -1.008 -9.489 587 HG1 THR 85 HG1 THR 85 27.594 -0.485 -7.843 588 HG21 THR 85 HG21 THR 85 26.085 1.272 -10.714 589 HG22 THR 85 HG22 THR 85 27.656 0.565 -10.334 590 HG23 THR 85 HG23 THR 85 27.008 1.864 -9.333 591 H THR 86 H THR 86 22.469 0.600 -7.481 592 HA THR 86 HA THR 86 22.715 -2.025 -6.162 593 HB THR 86 HB THR 86 21.735 0.566 -4.951 594 HG1 THR 86 HG1 THR 86 23.661 0.625 -4.072 595 HG21 THR 86 HG21 THR 86 20.369 -0.812 -3.790 596 HG22 THR 86 HG22 THR 86 21.840 -1.183 -2.890 597 HG23 THR 86 HG23 THR 86 21.308 -2.249 -4.189 598 H ASN 87 H ASN 87 21.026 -3.341 -6.394 599 HA ASN 87 HA ASN 87 18.418 -2.175 -7.100 600 HB2 ASN 87 HB2 ASN 87 19.679 -3.225 -9.059 601 HB3 ASN 87 HB3 ASN 87 19.430 -4.772 -8.254 602 HD21 ASN 87 HD21 ASN 87 18.432 -4.629 -10.667 603 HD22 ASN 87 HD22 ASN 87 16.715 -4.434 -10.655 604 H CYS 88 H CYS 88 17.365 -2.464 -5.208 605 HA CYS 88 HA CYS 88 17.687 -4.531 -3.385 606 HB2 CYS 88 HB2 CYS 88 15.167 -2.961 -3.965 607 HB3 CYS 88 HB3 CYS 88 15.486 -3.884 -2.500 608 H ASN 89 H ASN 89 15.959 -4.464 -6.388 609 HA ASN 89 HA ASN 89 14.154 -6.557 -6.017 610 HB2 ASN 89 HB2 ASN 89 13.952 -5.230 -7.984 611 HB3 ASN 89 HB3 ASN 89 15.607 -5.580 -8.476 612 HD21 ASN 89 HD21 ASN 89 13.051 -7.735 -7.325 613 HD22 ASN 89 HD22 ASN 89 13.001 -8.720 -8.744 614 H THR 90 H THR 90 17.592 -6.588 -6.625 615 HA THR 90 HA THR 90 17.591 -9.491 -6.976 616 HB THR 90 HB THR 90 20.195 -8.916 -7.111 617 HG1 THR 90 HG1 THR 90 20.469 -6.850 -8.031 618 HG21 THR 90 HG21 THR 90 19.859 -9.575 -9.215 619 HG22 THR 90 HG22 THR 90 19.044 -8.060 -9.606 620 HG23 THR 90 HG23 THR 90 18.125 -9.410 -8.941 621 H VAL 91 H VAL 91 17.110 -7.912 -4.395 622 HA VAL 91 HA VAL 91 18.843 -9.587 -2.746 623 HB VAL 91 HB VAL 91 18.539 -6.637 -2.180 624 HG11 VAL 91 HG11 VAL 91 19.711 -8.935 -0.748 625 HG12 VAL 91 HG12 VAL 91 20.657 -7.446 -0.739 626 HG13 VAL 91 HG13 VAL 91 19.005 -7.446 -0.122 627 HG21 VAL 91 HG21 VAL 91 21.049 -6.650 -2.698 628 HG22 VAL 91 HG22 VAL 91 20.734 -8.168 -3.539 629 HG23 VAL 91 HG23 VAL 91 19.930 -6.688 -4.061 630 H LYS 92 H LYS 92 17.592 -10.649 -1.373 631 HA LYS 92 HA LYS 92 15.009 -9.480 -0.606 632 HB2 LYS 92 HB2 LYS 92 16.005 -12.265 -0.958 633 HB3 LYS 92 HB3 LYS 92 14.758 -11.990 0.252 634 HG2 LYS 92 HG2 LYS 92 13.302 -11.027 -1.436 635 HG3 LYS 92 HG3 LYS 92 14.559 -11.234 -2.657 636 HD2 LYS 92 HD2 LYS 92 13.490 -13.173 -3.074 637 HD3 LYS 92 HD3 LYS 92 14.391 -13.752 -1.671 638 HE2 LYS 92 HE2 LYS 92 12.277 -12.691 -0.420 639 HE3 LYS 92 HE3 LYS 92 11.516 -13.101 -1.957 640 HZ1 LYS 92 HZ1 LYS 92 12.214 -15.373 -1.691 641 HZ2 LYS 92 HZ2 LYS 92 11.358 -14.894 -0.314 642 HZ3 LYS 92 HZ3 LYS 92 13.046 -15.003 -0.265 643 H PHE 93 H PHE 93 15.014 -8.478 1.290 644 HA PHE 93 HA PHE 93 15.496 -7.914 3.443 645 HB2 PHE 93 HB2 PHE 93 15.291 -10.882 3.445 646 HB3 PHE 93 HB3 PHE 93 15.938 -10.116 4.893 647 HD1 PHE 93 HD2 PHE 93 12.991 -10.553 2.778 648 HD2 PHE 93 HD1 PHE 93 14.550 -8.717 6.287 649 HE1 PHE 93 HE2 PHE 93 10.702 -10.062 3.534 650 HE2 PHE 93 HE1 PHE 93 12.263 -8.223 7.049 651 HZ PHE 93 HZ PHE 93 10.335 -8.895 5.671 Start of MODEL 16 1 H1 ALA 1 H ALA 1 1.870 -0.977 1.556 2 HA ALA 1 HA ALA 1 2.932 -1.101 -0.454 3 HB1 ALA 1 HB1 ALA 1 0.340 0.117 -1.372 4 HB2 ALA 1 HB2 ALA 1 1.637 -0.330 -2.480 5 HB3 ALA 1 HB3 ALA 1 0.858 -1.565 -1.491 6 H ILE 2 H ILE 2 4.698 0.091 -0.687 7 HA ILE 2 HA ILE 2 4.699 2.927 -0.300 8 HB ILE 2 HB ILE 2 6.888 1.087 -1.274 9 HG12 ILE 2 HG12 ILE 2 7.703 1.789 1.148 10 HG13 ILE 2 HG13 ILE 2 5.980 2.033 1.411 11 HG21 ILE 2 HG21 ILE 2 7.806 3.025 -1.962 12 HG22 ILE 2 HG22 ILE 2 6.749 4.007 -0.949 13 HG23 ILE 2 HG23 ILE 2 8.170 3.232 -0.249 14 HD11 ILE 2 HD11 ILE 2 7.054 -0.533 0.301 15 HD12 ILE 2 HD12 ILE 2 6.965 -0.225 2.036 16 HD13 ILE 2 HD13 ILE 2 5.494 -0.223 1.062 17 H SER 3 H SER 3 4.183 4.392 -1.771 18 HA SER 3 HA SER 3 4.193 3.660 -4.600 19 HB2 SER 3 HB2 SER 3 2.136 4.642 -3.988 20 HB3 SER 3 HB3 SER 3 2.922 5.902 -3.038 21 HG SER 3 HG SER 3 2.115 6.129 -5.477 22 H CYS 4 H CYS 4 4.827 6.785 -3.036 23 HA CYS 4 HA CYS 4 7.552 6.952 -3.678 24 HB2 CYS 4 HB2 CYS 4 6.038 7.142 -5.962 25 HB3 CYS 4 HB3 CYS 4 6.250 8.832 -5.518 26 H GLY 5 H GLY 5 4.524 8.762 -3.390 27 HA2 GLY 5 HA2 GLY 5 5.525 11.233 -2.614 28 HA3 GLY 5 HA3 GLY 5 3.973 10.583 -2.105 29 H ALA 6 H ALA 6 5.149 8.299 -0.727 30 HA ALA 6 HA ALA 6 5.623 9.572 1.798 31 HB1 ALA 6 HB1 ALA 6 6.098 7.017 2.371 32 HB2 ALA 6 HB2 ALA 6 4.466 7.655 2.173 33 HB3 ALA 6 HB3 ALA 6 5.242 6.793 0.845 34 H VAL 7 H VAL 7 7.589 8.085 -0.670 35 HA VAL 7 HA VAL 7 9.940 7.860 0.967 36 HB VAL 7 HB VAL 7 9.801 7.810 -2.047 37 HG11 VAL 7 HG11 VAL 7 11.731 6.064 -0.831 38 HG12 VAL 7 HG12 VAL 7 11.978 7.371 -1.991 39 HG13 VAL 7 HG13 VAL 7 11.958 7.717 -0.261 40 HG21 VAL 7 HG21 VAL 7 9.531 5.497 -0.129 41 HG22 VAL 7 HG22 VAL 7 8.216 6.199 -1.071 42 HG23 VAL 7 HG23 VAL 7 9.558 5.399 -1.890 43 H THR 8 H THR 8 8.856 10.044 -1.615 44 HA THR 8 HA THR 8 11.163 11.666 -1.644 45 HB THR 8 HB THR 8 8.399 12.640 -2.348 46 HG1 THR 8 HG1 THR 8 10.168 11.053 -3.927 47 HG21 THR 8 HG21 THR 8 9.433 14.340 -3.386 48 HG22 THR 8 HG22 THR 8 10.671 13.287 -4.070 49 HG23 THR 8 HG23 THR 8 10.840 13.892 -2.422 50 H SER 9 H SER 9 8.367 11.592 0.414 51 HA SER 9 HA SER 9 8.466 14.206 1.437 52 HB2 SER 9 HB2 SER 9 6.513 13.185 2.072 53 HB3 SER 9 HB3 SER 9 7.287 11.620 2.321 54 HG SER 9 HG SER 9 6.616 12.663 4.283 55 H ASP 10 H ASP 10 9.955 11.199 2.601 56 HA ASP 10 HA ASP 10 11.296 12.498 4.777 57 HB2 ASP 10 HB2 ASP 10 12.179 9.844 3.716 58 HB3 ASP 10 HB3 ASP 10 12.053 10.396 5.384 59 H LEU 11 H LEU 11 11.963 11.969 1.446 60 HA LEU 11 HA LEU 11 14.800 12.098 1.565 61 HB2 LEU 11 HB2 LEU 11 12.740 12.346 -0.570 62 HB3 LEU 11 HB3 LEU 11 14.379 12.895 -0.913 63 HG LEU 11 HG LEU 11 14.006 10.152 0.184 64 HD11 LEU 11 HD11 LEU 11 13.293 11.028 -2.598 65 HD12 LEU 11 HD12 LEU 11 12.354 10.041 -1.478 66 HD13 LEU 11 HD13 LEU 11 13.806 9.380 -2.230 67 HD21 LEU 11 HD21 LEU 11 16.245 11.063 -0.159 68 HD22 LEU 11 HD22 LEU 11 15.872 11.358 -1.857 69 HD23 LEU 11 HD23 LEU 11 15.937 9.706 -1.241 70 H SER 12 H SER 12 12.247 14.490 1.315 71 HA SER 12 HA SER 12 13.687 16.715 0.509 72 HB2 SER 12 HB2 SER 12 11.215 16.286 2.109 73 HB3 SER 12 HB3 SER 12 11.949 17.888 2.177 74 HG SER 12 HG SER 12 10.515 17.851 0.470 75 HA PRO 13 HA PRO 13 14.690 17.674 5.139 76 HB2 PRO 13 HB2 PRO 13 14.204 15.708 6.948 77 HB3 PRO 13 HB3 PRO 13 13.003 16.929 6.509 78 HG2 PRO 13 HG2 PRO 13 13.282 14.110 5.539 79 HG3 PRO 13 HG3 PRO 13 11.816 14.993 6.006 80 HD2 PRO 13 HD2 PRO 13 12.540 14.636 3.421 81 HD3 PRO 13 HD3 PRO 13 11.675 16.082 3.980 82 H CYS 14 H CYS 14 15.178 14.484 3.815 83 HA CYS 14 HA CYS 14 17.632 14.021 5.272 84 HB2 CYS 14 HB2 CYS 14 16.117 12.516 3.157 85 HB3 CYS 14 HB3 CYS 14 17.760 12.052 3.586 86 H LEU 15 H LEU 15 16.705 15.644 2.436 87 HA LEU 15 HA LEU 15 18.975 15.261 0.816 88 HB2 LEU 15 HB2 LEU 15 16.774 17.234 0.977 89 HB3 LEU 15 HB3 LEU 15 18.218 17.720 0.092 90 HG LEU 15 HG LEU 15 16.473 15.332 -0.510 91 HD11 LEU 15 HD11 LEU 15 16.148 16.659 -2.660 92 HD12 LEU 15 HD12 LEU 15 16.787 18.039 -1.769 93 HD13 LEU 15 HD13 LEU 15 15.313 17.241 -1.220 94 HD21 LEU 15 HD21 LEU 15 19.145 16.184 -1.476 95 HD22 LEU 15 HD22 LEU 15 18.006 15.558 -2.669 96 HD23 LEU 15 HD23 LEU 15 18.469 14.566 -1.285 97 H THR 16 H THR 16 18.181 17.864 3.112 98 HA THR 16 HA THR 16 20.444 19.414 2.852 99 HB THR 16 HB THR 16 19.041 18.840 5.468 100 HG1 THR 16 HG1 THR 16 18.383 20.496 3.270 101 HG21 THR 16 HG21 THR 16 19.743 21.157 6.009 102 HG22 THR 16 HG22 THR 16 20.663 21.199 4.505 103 HG23 THR 16 HG23 THR 16 21.105 20.062 5.779 104 H TYR 17 H TYR 17 20.003 16.465 4.738 105 HA TYR 17 HA TYR 17 22.628 16.602 5.910 106 HB2 TYR 17 HB2 TYR 17 20.650 15.516 7.015 107 HB3 TYR 17 HB3 TYR 17 20.752 14.234 5.814 108 HD1 TYR 17 HD1 TYR 17 23.537 15.967 7.567 109 HD2 TYR 17 HD2 TYR 17 21.335 12.358 7.086 110 HE1 TYR 17 HE1 TYR 17 25.174 14.788 8.975 111 HE2 TYR 17 HE2 TYR 17 22.965 11.169 8.494 112 HH TYR 17 HH TYR 17 25.969 12.529 9.375 113 H LEU 18 H LEU 18 21.075 14.804 3.295 114 HA LEU 18 HA LEU 18 23.308 13.158 2.699 115 HB2 LEU 18 HB2 LEU 18 20.846 13.947 1.174 116 HB3 LEU 18 HB3 LEU 18 22.094 12.933 0.453 117 HG LEU 18 HG LEU 18 20.454 12.266 2.897 118 HD11 LEU 18 HD11 LEU 18 19.322 12.215 0.631 119 HD12 LEU 18 HD12 LEU 18 19.297 10.715 1.557 120 HD13 LEU 18 HD13 LEU 18 20.429 10.904 0.218 121 HD21 LEU 18 HD21 LEU 18 22.000 10.757 3.394 122 HD22 LEU 18 HD22 LEU 18 22.987 11.295 2.034 123 HD23 LEU 18 HD23 LEU 18 21.788 10.021 1.805 124 H THR 19 H THR 19 22.753 16.443 2.230 125 HA THR 19 HA THR 19 24.472 16.636 -0.125 126 HB THR 19 HB THR 19 24.004 19.166 0.249 127 HG1 THR 19 HG1 THR 19 22.821 19.544 1.955 128 HG21 THR 19 HG21 THR 19 22.742 17.176 -1.216 129 HG22 THR 19 HG22 THR 19 22.558 18.916 -1.438 130 HG23 THR 19 HG23 THR 19 21.418 18.031 -0.424 131 H GLY 20 H GLY 20 24.742 16.660 3.236 132 HA2 GLY 20 HA2 GLY 20 27.036 16.629 4.100 133 HA3 GLY 20 HA3 GLY 20 27.375 17.983 3.033 134 H GLY 21 H GLY 21 24.350 18.505 4.196 135 HA2 GLY 21 HA2 GLY 21 25.235 20.613 5.923 136 HA3 GLY 21 HA3 GLY 21 23.567 20.162 5.599 137 HA PRO 22 HA PRO 22 24.612 19.048 9.993 138 HB2 PRO 22 HB2 PRO 22 22.423 20.236 11.075 139 HB3 PRO 22 HB3 PRO 22 23.938 21.099 10.779 140 HG2 PRO 22 HG2 PRO 22 21.434 21.051 9.139 141 HG3 PRO 22 HG3 PRO 22 22.470 22.428 9.560 142 HD2 PRO 22 HD2 PRO 22 22.588 21.198 7.150 143 HD3 PRO 22 HD3 PRO 22 24.011 21.930 7.919 144 H GLY 23 H GLY 23 23.843 17.252 10.983 145 HA2 GLY 23 HA2 GLY 23 21.280 16.329 11.212 146 HA3 GLY 23 HA3 GLY 23 21.812 15.721 9.651 147 HA PRO 24 HA PRO 24 20.879 13.868 9.653 148 HB2 PRO 24 HB2 PRO 24 19.605 11.814 10.889 149 HB3 PRO 24 HB3 PRO 24 20.980 11.578 9.804 150 HG2 PRO 24 HG2 PRO 24 20.918 11.641 12.796 151 HG3 PRO 24 HG3 PRO 24 21.791 10.536 11.718 152 HD2 PRO 24 HD2 PRO 24 22.993 12.632 12.940 153 HD3 PRO 24 HD3 PRO 24 23.489 12.047 11.339 154 H SER 25 H SER 25 19.099 15.083 9.744 155 HA SER 25 HA SER 25 18.271 16.380 12.106 156 HB2 SER 25 HB2 SER 25 16.154 16.801 10.525 157 HB3 SER 25 HB3 SER 25 17.686 17.640 10.283 158 HG SER 25 HG SER 25 16.496 16.316 8.485 159 HA PRO 26 HA PRO 26 15.315 13.714 13.948 160 HB2 PRO 26 HB2 PRO 26 13.301 15.406 14.621 161 HB3 PRO 26 HB3 PRO 26 14.861 15.391 15.451 162 HG2 PRO 26 HG2 PRO 26 13.876 17.229 13.304 163 HG3 PRO 26 HG3 PRO 26 14.781 17.616 14.779 164 HD2 PRO 26 HD2 PRO 26 15.964 17.433 12.350 165 HD3 PRO 26 HD3 PRO 26 16.799 16.995 13.855 166 H GLN 27 H GLN 27 13.933 15.920 11.538 167 HA GLN 27 HA GLN 27 11.575 14.385 11.110 168 HB2 GLN 27 HB2 GLN 27 12.919 16.613 9.605 169 HB3 GLN 27 HB3 GLN 27 11.509 15.795 8.945 170 HG2 GLN 27 HG2 GLN 27 10.096 16.636 10.544 171 HG3 GLN 27 HG3 GLN 27 11.391 16.874 11.716 172 HE21 GLN 27 HE21 GLN 27 9.442 18.315 9.378 173 HE22 GLN 27 HE22 GLN 27 10.232 19.849 9.302 174 H CYS 28 H CYS 28 14.759 14.475 9.626 175 HA CYS 28 HA CYS 28 14.175 12.895 7.367 176 HB2 CYS 28 HB2 CYS 28 16.203 14.141 7.359 177 HB3 CYS 28 HB3 CYS 28 16.735 13.419 8.874 178 H CYS 29 H CYS 29 15.692 11.989 10.465 179 HA CYS 29 HA CYS 29 15.910 9.264 10.018 180 HB2 CYS 29 HB2 CYS 29 15.761 10.996 12.423 181 HB3 CYS 29 HB3 CYS 29 15.460 9.279 12.671 182 H GLY 30 H GLY 30 13.198 11.061 11.456 183 HA2 GLY 30 HA2 GLY 30 11.534 8.970 12.133 184 HA3 GLY 30 HA3 GLY 30 10.964 10.540 11.587 185 H GLY 31 H GLY 31 11.647 10.641 8.984 186 HA2 GLY 31 HA2 GLY 31 9.690 8.993 7.769 187 HA3 GLY 31 HA3 GLY 31 10.838 10.022 6.925 188 H VAL 32 H VAL 32 13.214 8.802 7.905 189 HA VAL 32 HA VAL 32 13.654 6.841 5.993 190 HB VAL 32 HB VAL 32 15.118 7.235 8.606 191 HG11 VAL 32 HG11 VAL 32 16.983 6.080 7.513 192 HG12 VAL 32 HG12 VAL 32 15.570 5.035 7.664 193 HG13 VAL 32 HG13 VAL 32 15.964 5.769 6.109 194 HG21 VAL 32 HG21 VAL 32 16.588 8.147 6.369 195 HG22 VAL 32 HG22 VAL 32 14.964 8.822 6.242 196 HG23 VAL 32 HG23 VAL 32 15.921 9.096 7.698 197 H LYS 33 H LYS 33 13.204 6.360 9.499 198 HA LYS 33 HA LYS 33 13.175 3.562 9.437 199 HB2 LYS 33 HB2 LYS 33 12.062 5.589 11.357 200 HB3 LYS 33 HB3 LYS 33 11.803 3.868 11.613 201 HG2 LYS 33 HG2 LYS 33 14.111 3.456 11.867 202 HG3 LYS 33 HG3 LYS 33 14.538 5.053 11.247 203 HD2 LYS 33 HD2 LYS 33 13.632 6.116 13.201 204 HD3 LYS 33 HD3 LYS 33 12.985 4.583 13.790 205 HE2 LYS 33 HE2 LYS 33 15.726 4.161 13.346 206 HE3 LYS 33 HE3 LYS 33 15.597 5.722 14.154 207 HZ1 LYS 33 HZ1 LYS 33 14.463 3.149 15.110 208 HZ2 LYS 33 HZ2 LYS 33 14.236 4.644 15.868 209 HZ3 LYS 33 HZ3 LYS 33 15.785 3.972 15.773 210 H LYS 34 H LYS 34 10.745 5.886 8.621 211 HA LYS 34 HA LYS 34 8.513 4.100 8.824 212 HB2 LYS 34 HB2 LYS 34 8.545 6.700 8.863 213 HB3 LYS 34 HB3 LYS 34 8.543 6.564 7.109 214 HG2 LYS 34 HG2 LYS 34 6.512 4.935 8.447 215 HG3 LYS 34 HG3 LYS 34 6.324 6.676 8.670 216 HD2 LYS 34 HD2 LYS 34 6.311 7.028 6.287 217 HD3 LYS 34 HD3 LYS 34 6.680 5.327 5.995 218 HE2 LYS 34 HE2 LYS 34 4.383 5.462 5.631 219 HE3 LYS 34 HE3 LYS 34 4.506 4.849 7.279 220 HZ1 LYS 34 HZ1 LYS 34 3.020 6.963 6.533 221 HZ2 LYS 34 HZ2 LYS 34 4.423 7.725 7.089 222 HZ3 LYS 34 HZ3 LYS 34 3.567 6.683 8.109 223 H LEU 35 H LEU 35 10.722 5.099 6.281 224 HA LEU 35 HA LEU 35 9.309 3.993 4.104 225 HB2 LEU 35 HB2 LEU 35 11.235 5.638 4.045 226 HB3 LEU 35 HB3 LEU 35 12.298 4.256 4.300 227 HG LEU 35 HG LEU 35 10.397 4.289 1.988 228 HD11 LEU 35 HD11 LEU 35 12.897 5.873 2.312 229 HD12 LEU 35 HD12 LEU 35 11.404 6.279 1.466 230 HD13 LEU 35 HD13 LEU 35 12.543 5.142 0.747 231 HD21 LEU 35 HD21 LEU 35 12.238 2.930 0.996 232 HD22 LEU 35 HD22 LEU 35 11.487 2.203 2.416 233 HD23 LEU 35 HD23 LEU 35 13.058 2.994 2.556 234 H LEU 36 H LEU 36 11.907 2.695 6.146 235 HA LEU 36 HA LEU 36 11.984 0.174 4.804 236 HB2 LEU 36 HB2 LEU 36 12.956 0.609 7.600 237 HB3 LEU 36 HB3 LEU 36 13.604 -0.453 6.352 238 HG LEU 36 HG LEU 36 13.885 2.542 6.540 239 HD11 LEU 36 HD11 LEU 36 16.183 0.709 6.238 240 HD12 LEU 36 HD12 LEU 36 15.349 0.690 7.791 241 HD13 LEU 36 HD13 LEU 36 16.027 2.196 7.174 242 HD21 LEU 36 HD21 LEU 36 14.668 0.665 4.314 243 HD22 LEU 36 HD22 LEU 36 15.242 2.326 4.472 244 HD23 LEU 36 HD23 LEU 36 13.525 2.006 4.225 245 H ALA 37 H ALA 37 10.319 1.457 7.610 246 HA ALA 37 HA ALA 37 9.374 -1.078 8.546 247 HB1 ALA 37 HB1 ALA 37 9.544 0.613 10.175 248 HB2 ALA 37 HB2 ALA 37 8.632 1.762 9.194 249 HB3 ALA 37 HB3 ALA 37 7.814 0.377 9.920 250 H ALA 38 H ALA 38 8.316 1.231 6.196 251 HA ALA 38 HA ALA 38 5.591 0.312 6.098 252 HB1 ALA 38 HB1 ALA 38 6.121 2.610 5.514 253 HB2 ALA 38 HB2 ALA 38 7.139 2.054 4.184 254 HB3 ALA 38 HB3 ALA 38 5.398 1.774 4.139 255 H ALA 39 H ALA 39 8.527 -0.867 4.951 256 HA ALA 39 HA ALA 39 7.132 -2.553 2.977 257 HB1 ALA 39 HB1 ALA 39 10.040 -2.005 2.663 258 HB2 ALA 39 HB2 ALA 39 8.817 -2.360 1.442 259 HB3 ALA 39 HB3 ALA 39 8.887 -0.760 2.180 260 H ASN 40 H ASN 40 7.162 -4.645 3.451 261 HA ASN 40 HA ASN 40 9.297 -5.652 5.217 262 HB2 ASN 40 HB2 ASN 40 6.366 -6.345 5.102 263 HB3 ASN 40 HB3 ASN 40 7.543 -7.412 5.861 264 HD21 ASN 40 HD21 ASN 40 5.298 -5.984 7.034 265 HD22 ASN 40 HD22 ASN 40 5.960 -4.989 8.282 266 H THR 41 H THR 41 7.207 -6.331 2.466 267 HA THR 41 HA THR 41 8.555 -8.842 1.907 268 HB THR 41 HB THR 41 6.999 -9.132 0.105 269 HG1 THR 41 HG1 THR 41 5.817 -7.493 -0.725 270 HG21 THR 41 HG21 THR 41 5.572 -7.858 2.444 271 HG22 THR 41 HG22 THR 41 6.117 -9.533 2.360 272 HG23 THR 41 HG23 THR 41 4.857 -8.959 1.268 273 H THR 42 H THR 42 8.763 -8.975 -0.761 274 HA THR 42 HA THR 42 11.078 -7.336 -1.282 275 HB THR 42 HB THR 42 9.816 -9.696 -2.571 276 HG1 THR 42 HG1 THR 42 12.221 -10.103 -2.718 277 HG21 THR 42 HG21 THR 42 9.915 -8.345 -4.513 278 HG22 THR 42 HG22 THR 42 11.362 -9.353 -4.556 279 HG23 THR 42 HG23 THR 42 11.476 -7.667 -4.052 280 HA PRO 43 HA PRO 43 8.000 -6.100 -5.009 281 HB2 PRO 43 HB2 PRO 43 5.588 -6.190 -3.256 282 HB3 PRO 43 HB3 PRO 43 5.737 -6.534 -4.983 283 HG2 PRO 43 HG2 PRO 43 5.514 -8.505 -3.181 284 HG3 PRO 43 HG3 PRO 43 6.527 -8.675 -4.626 285 HD2 PRO 43 HD2 PRO 43 7.307 -8.287 -1.803 286 HD3 PRO 43 HD3 PRO 43 8.170 -9.105 -3.121 287 H ASP 44 H ASP 44 7.055 -5.302 -1.662 288 HA ASP 44 HA ASP 44 6.546 -2.573 -2.164 289 HB2 ASP 44 HB2 ASP 44 6.913 -4.265 0.255 290 HB3 ASP 44 HB3 ASP 44 7.086 -2.523 0.455 291 H ARG 45 H ARG 45 9.409 -4.266 -0.935 292 HA ARG 45 HA ARG 45 10.971 -1.976 -0.448 293 HB2 ARG 45 HB2 ARG 45 11.618 -4.867 -0.940 294 HB3 ARG 45 HB3 ARG 45 12.904 -3.677 -0.787 295 HG2 ARG 45 HG2 ARG 45 10.835 -3.687 1.325 296 HG3 ARG 45 HG3 ARG 45 11.949 -5.055 1.280 297 HD2 ARG 45 HD2 ARG 45 13.833 -3.652 1.543 298 HD3 ARG 45 HD3 ARG 45 12.890 -2.201 1.206 299 HE ARG 45 HE ARG 45 12.191 -2.178 3.394 300 HH11 ARG 45 HH11 ARG 45 13.709 -5.229 2.685 301 HH12 ARG 45 HH12 ARG 45 13.743 -5.745 4.339 302 HH21 ARG 45 HH21 ARG 45 12.230 -2.845 5.575 303 HH22 ARG 45 HH22 ARG 45 12.900 -4.389 5.982 304 H GLN 46 H GLN 46 10.336 -3.821 -3.348 305 HA GLN 46 HA GLN 46 12.454 -2.791 -4.918 306 HB2 GLN 46 HB2 GLN 46 9.926 -4.265 -5.440 307 HB3 GLN 46 HB3 GLN 46 10.653 -3.414 -6.796 308 HG2 GLN 46 HG2 GLN 46 12.755 -4.631 -6.401 309 HG3 GLN 46 HG3 GLN 46 11.968 -5.522 -5.098 310 HE21 GLN 46 HE21 GLN 46 12.392 -7.467 -6.198 311 HE22 GLN 46 HE22 GLN 46 11.445 -7.954 -7.558 312 H ALA 47 H ALA 47 9.089 -1.790 -4.459 313 HA ALA 47 HA ALA 47 9.026 0.249 -6.380 314 HB1 ALA 47 HB1 ALA 47 6.985 0.814 -5.520 315 HB2 ALA 47 HB2 ALA 47 7.147 -0.820 -4.875 316 HB3 ALA 47 HB3 ALA 47 7.496 0.572 -3.849 317 H ALA 48 H ALA 48 9.647 0.471 -2.875 318 HA ALA 48 HA ALA 48 10.158 3.206 -2.760 319 HB1 ALA 48 HB1 ALA 48 11.566 1.187 -1.037 320 HB2 ALA 48 HB2 ALA 48 11.079 2.832 -0.627 321 HB3 ALA 48 HB3 ALA 48 9.858 1.577 -0.836 322 H CYS 49 H CYS 49 12.502 0.534 -3.062 323 HA CYS 49 HA CYS 49 14.842 1.951 -3.185 324 HB2 CYS 49 HB2 CYS 49 13.919 -0.620 -4.362 325 HB3 CYS 49 HB3 CYS 49 15.422 0.054 -4.986 326 H ASN 50 H ASN 50 12.480 1.462 -5.754 327 HA ASN 50 HA ASN 50 14.009 2.573 -7.852 328 HB2 ASN 50 HB2 ASN 50 11.005 2.392 -7.524 329 HB3 ASN 50 HB3 ASN 50 11.833 2.797 -9.025 330 HD21 ASN 50 HD21 ASN 50 10.058 0.557 -8.329 331 HD22 ASN 50 HD22 ASN 50 10.951 -0.874 -8.704 332 H CYS 51 H CYS 51 11.674 3.979 -5.594 333 HA CYS 51 HA CYS 51 11.766 6.588 -6.747 334 HB2 CYS 51 HB2 CYS 51 10.732 5.504 -4.133 335 HB3 CYS 51 HB3 CYS 51 10.705 7.226 -4.495 336 H LEU 52 H LEU 52 13.543 4.928 -4.229 337 HA LEU 52 HA LEU 52 14.811 7.275 -3.193 338 HB2 LEU 52 HB2 LEU 52 15.105 4.338 -2.821 339 HB3 LEU 52 HB3 LEU 52 16.435 5.381 -2.322 340 HG LEU 52 HG LEU 52 13.599 5.553 -1.304 341 HD11 LEU 52 HD11 LEU 52 14.486 4.656 0.766 342 HD12 LEU 52 HD12 LEU 52 16.091 4.527 0.048 343 HD13 LEU 52 HD13 LEU 52 14.771 3.528 -0.560 344 HD21 LEU 52 HD21 LEU 52 14.369 7.695 -1.027 345 HD22 LEU 52 HD22 LEU 52 16.053 7.190 -0.882 346 HD23 LEU 52 HD23 LEU 52 14.941 6.951 0.466 347 H LYS 53 H LYS 53 16.064 4.514 -5.077 348 HA LYS 53 HA LYS 53 18.594 5.468 -5.598 349 HB2 LYS 53 HB2 LYS 53 17.317 3.233 -6.278 350 HB3 LYS 53 HB3 LYS 53 17.167 4.078 -7.813 351 HG2 LYS 53 HG2 LYS 53 19.187 3.337 -8.329 352 HG3 LYS 53 HG3 LYS 53 19.835 4.394 -7.073 353 HD2 LYS 53 HD2 LYS 53 18.926 1.542 -6.686 354 HD3 LYS 53 HD3 LYS 53 20.602 2.086 -6.789 355 HE2 LYS 53 HE2 LYS 53 20.606 2.520 -4.612 356 HE3 LYS 53 HE3 LYS 53 19.272 3.653 -4.825 357 HZ1 LYS 53 HZ1 LYS 53 18.264 1.035 -4.913 358 HZ2 LYS 53 HZ2 LYS 53 17.942 2.248 -3.779 359 HZ3 LYS 53 HZ3 LYS 53 19.234 1.183 -3.534 360 H SER 54 H SER 54 15.594 6.153 -7.338 361 HA SER 54 HA SER 54 16.869 7.743 -9.349 362 HB2 SER 54 HB2 SER 54 14.610 6.506 -9.507 363 HB3 SER 54 HB3 SER 54 13.944 7.891 -8.642 364 HG SER 54 HG SER 54 13.796 8.685 -10.591 365 H ALA 55 H ALA 55 15.534 8.323 -6.197 366 HA ALA 55 HA ALA 55 15.259 11.155 -6.472 367 HB1 ALA 55 HB1 ALA 55 13.913 10.366 -4.792 368 HB2 ALA 55 HB2 ALA 55 15.122 9.220 -4.211 369 HB3 ALA 55 HB3 ALA 55 15.295 10.940 -3.858 370 H ALA 56 H ALA 56 17.597 9.128 -4.694 371 HA ALA 56 HA ALA 56 19.316 11.259 -4.009 372 HB1 ALA 56 HB1 ALA 56 20.903 9.552 -3.360 373 HB2 ALA 56 HB2 ALA 56 19.282 9.095 -2.834 374 HB3 ALA 56 HB3 ALA 56 19.997 8.332 -4.255 375 H GLY 57 H GLY 57 18.782 9.674 -6.961 376 HA2 GLY 57 HA2 GLY 57 21.342 9.715 -8.120 377 HA3 GLY 57 HA3 GLY 57 19.825 9.776 -9.003 378 H SER 58 H SER 58 19.293 12.297 -7.254 379 HA SER 58 HA SER 58 20.490 14.130 -9.185 380 HB2 SER 58 HB2 SER 58 17.980 14.078 -8.451 381 HB3 SER 58 HB3 SER 58 18.559 14.976 -7.048 382 HG SER 58 HG SER 58 19.238 15.784 -9.661 383 H ILE 59 H ILE 59 21.419 12.861 -6.351 384 HA ILE 59 HA ILE 59 22.332 15.275 -5.040 385 HB ILE 59 HB ILE 59 23.035 12.416 -4.377 386 HG12 ILE 59 HG12 ILE 59 20.797 14.155 -3.317 387 HG13 ILE 59 HG13 ILE 59 20.608 12.724 -4.326 388 HG21 ILE 59 HG21 ILE 59 23.549 13.316 -2.162 389 HG22 ILE 59 HG22 ILE 59 24.538 14.073 -3.410 390 HG23 ILE 59 HG23 ILE 59 23.160 14.939 -2.730 391 HD11 ILE 59 HD11 ILE 59 20.115 12.243 -1.998 392 HD12 ILE 59 HD12 ILE 59 21.532 11.345 -2.542 393 HD13 ILE 59 HD13 ILE 59 21.730 12.779 -1.534 394 H THR 60 H THR 60 23.970 16.332 -5.962 395 HA THR 60 HA THR 60 25.975 15.035 -7.540 396 HB THR 60 HB THR 60 25.365 17.284 -8.132 397 HG1 THR 60 HG1 THR 60 27.526 18.283 -7.910 398 HG21 THR 60 HG21 THR 60 25.323 17.708 -5.343 399 HG22 THR 60 HG22 THR 60 24.901 18.851 -6.618 400 HG23 THR 60 HG23 THR 60 26.552 18.788 -6.001 401 H LYS 61 H LYS 61 27.927 14.304 -6.957 402 HA LYS 61 HA LYS 61 29.641 13.613 -5.629 403 HB2 LYS 61 HB2 LYS 61 29.204 16.444 -4.732 404 HB3 LYS 61 HB3 LYS 61 30.419 15.442 -3.948 405 HG2 LYS 61 HG2 LYS 61 31.076 15.031 -6.520 406 HG3 LYS 61 HG3 LYS 61 30.406 16.660 -6.628 407 HD2 LYS 61 HD2 LYS 61 31.976 16.825 -4.392 408 HD3 LYS 61 HD3 LYS 61 32.901 15.725 -5.417 409 HE2 LYS 61 HE2 LYS 61 32.061 17.734 -7.139 410 HE3 LYS 61 HE3 LYS 61 32.491 18.585 -5.655 411 HZ1 LYS 61 HZ1 LYS 61 34.387 16.566 -6.469 412 HZ2 LYS 61 HZ2 LYS 61 34.652 18.152 -5.943 413 HZ3 LYS 61 HZ3 LYS 61 34.240 17.854 -7.557 414 H LEU 62 H LEU 62 27.230 12.590 -4.836 415 HA LEU 62 HA LEU 62 26.388 12.971 -2.239 416 HB2 LEU 62 HB2 LEU 62 25.190 11.534 -3.738 417 HB3 LEU 62 HB3 LEU 62 26.560 10.431 -3.848 418 HG LEU 62 HG LEU 62 26.109 10.248 -1.227 419 HD11 LEU 62 HD11 LEU 62 23.519 11.155 -2.433 420 HD12 LEU 62 HD12 LEU 62 24.307 11.701 -0.953 421 HD13 LEU 62 HD13 LEU 62 23.560 10.105 -1.016 422 HD21 LEU 62 HD21 LEU 62 24.256 8.461 -2.185 423 HD22 LEU 62 HD22 LEU 62 25.996 8.190 -2.086 424 HD23 LEU 62 HD23 LEU 62 25.276 8.763 -3.592 425 H ASN 63 H ASN 63 27.022 12.297 -0.240 426 HA ASN 63 HA ASN 63 29.720 11.152 -0.065 427 HB2 ASN 63 HB2 ASN 63 28.912 13.412 1.059 428 HB3 ASN 63 HB3 ASN 63 28.331 12.316 2.309 429 HD21 ASN 63 HD21 ASN 63 30.641 14.334 1.927 430 HD22 ASN 63 HD22 ASN 63 31.999 13.493 2.585 431 H THR 64 H THR 64 29.501 8.981 -0.041 432 HA THR 64 HA THR 64 27.402 7.487 0.976 433 HB THR 64 HB THR 64 29.155 5.633 1.234 434 HG1 THR 64 HG1 THR 64 31.032 6.790 1.465 435 HG21 THR 64 HG21 THR 64 28.467 5.157 -0.830 436 HG22 THR 64 HG22 THR 64 29.612 6.326 -1.488 437 HG23 THR 64 HG23 THR 64 27.980 6.836 -1.056 438 H ASN 65 H ASN 65 30.145 8.896 2.627 439 HA ASN 65 HA ASN 65 29.948 7.436 5.036 440 HB2 ASN 65 HB2 ASN 65 31.088 10.167 4.425 441 HB3 ASN 65 HB3 ASN 65 31.213 9.401 6.006 442 HD21 ASN 65 HD21 ASN 65 33.219 10.175 3.928 443 HD22 ASN 65 HD22 ASN 65 34.152 8.744 3.668 444 H ASN 66 H ASN 66 28.599 10.564 4.036 445 HA ASN 66 HA ASN 66 27.269 11.028 6.519 446 HB2 ASN 66 HB2 ASN 66 26.807 12.276 3.799 447 HB3 ASN 66 HB3 ASN 66 26.155 12.876 5.321 448 HD21 ASN 66 HD21 ASN 66 27.974 14.100 3.348 449 HD22 ASN 66 HD22 ASN 66 29.374 14.569 4.245 450 H ALA 67 H ALA 67 26.274 9.777 3.363 451 HA ALA 67 HA ALA 67 23.520 9.560 3.937 452 HB1 ALA 67 HB1 ALA 67 25.312 8.252 1.920 453 HB2 ALA 67 HB2 ALA 67 23.605 7.828 2.048 454 HB3 ALA 67 HB3 ALA 67 24.075 9.485 1.671 455 H ALA 68 H ALA 68 26.213 7.292 4.294 456 HA ALA 68 HA ALA 68 24.559 5.135 5.198 457 HB1 ALA 68 HB1 ALA 68 26.601 4.567 4.118 458 HB2 ALA 68 HB2 ALA 68 27.540 5.556 5.237 459 HB3 ALA 68 HB3 ALA 68 26.753 4.085 5.808 460 H ALA 69 H ALA 69 26.049 7.865 6.676 461 HA ALA 69 HA ALA 69 26.159 6.810 9.336 462 HB1 ALA 69 HB1 ALA 69 27.656 8.571 8.841 463 HB2 ALA 69 HB2 ALA 69 26.359 9.601 8.233 464 HB3 ALA 69 HB3 ALA 69 26.463 9.238 9.956 465 H LEU 70 H LEU 70 23.812 8.601 7.440 466 HA LEU 70 HA LEU 70 22.109 9.559 9.375 467 HB2 LEU 70 HB2 LEU 70 21.438 10.199 7.300 468 HB3 LEU 70 HB3 LEU 70 21.783 8.625 6.585 469 HG LEU 70 HG LEU 70 19.707 7.739 7.533 470 HD11 LEU 70 HD11 LEU 70 19.079 10.547 8.410 471 HD12 LEU 70 HD12 LEU 70 19.706 9.310 9.499 472 HD13 LEU 70 HD13 LEU 70 18.147 9.079 8.707 473 HD21 LEU 70 HD21 LEU 70 19.289 8.424 5.392 474 HD22 LEU 70 HD22 LEU 70 19.708 10.104 5.727 475 HD23 LEU 70 HD23 LEU 70 18.159 9.457 6.268 476 HA PRO 71 HA PRO 71 19.778 5.325 9.465 477 HB2 PRO 71 HB2 PRO 71 20.997 3.213 8.271 478 HB3 PRO 71 HB3 PRO 71 19.886 4.290 7.417 479 HG2 PRO 71 HG2 PRO 71 22.880 4.282 7.433 480 HG3 PRO 71 HG3 PRO 71 21.769 4.495 6.067 481 HD2 PRO 71 HD2 PRO 71 23.008 6.577 7.276 482 HD3 PRO 71 HD3 PRO 71 21.390 6.715 6.560 483 H GLY 72 H GLY 72 23.293 4.709 9.273 484 HA2 GLY 72 HA2 GLY 72 23.443 2.835 11.335 485 HA3 GLY 72 HA3 GLY 72 24.767 3.867 10.817 486 H LYS 73 H LYS 73 23.175 6.302 11.482 487 HA LYS 73 HA LYS 73 24.040 6.523 14.210 488 HB2 LYS 73 HB2 LYS 73 22.768 8.387 12.233 489 HB3 LYS 73 HB3 LYS 73 22.866 8.836 13.930 490 HG2 LYS 73 HG2 LYS 73 25.417 7.891 13.083 491 HG3 LYS 73 HG3 LYS 73 24.838 9.097 11.932 492 HD2 LYS 73 HD2 LYS 73 24.215 10.388 14.160 493 HD3 LYS 73 HD3 LYS 73 25.506 9.380 14.818 494 HE2 LYS 73 HE2 LYS 73 27.046 10.218 13.138 495 HE3 LYS 73 HE3 LYS 73 25.758 11.169 12.401 496 HZ1 LYS 73 HZ1 LYS 73 26.465 11.563 15.234 497 HZ2 LYS 73 HZ2 LYS 73 25.721 12.640 14.163 498 HZ3 LYS 73 HZ3 LYS 73 27.374 12.310 14.018 499 H CYS 74 H CYS 74 20.894 6.626 12.557 500 HA CYS 74 HA CYS 74 19.469 6.699 15.074 501 HB2 CYS 74 HB2 CYS 74 18.753 6.896 12.197 502 HB3 CYS 74 HB3 CYS 74 17.512 6.283 13.286 503 H GLY 75 H GLY 75 21.071 4.320 13.593 504 HA2 GLY 75 HA2 GLY 75 21.025 2.031 13.771 505 HA3 GLY 75 HA3 GLY 75 19.825 2.246 15.037 506 H VAL 76 H VAL 76 19.603 3.174 11.628 507 HA VAL 76 HA VAL 76 17.685 1.028 11.139 508 HB VAL 76 HB VAL 76 16.219 2.770 11.881 509 HG11 VAL 76 HG11 VAL 76 18.103 4.481 10.464 510 HG12 VAL 76 HG12 VAL 76 16.417 4.890 10.142 511 HG13 VAL 76 HG13 VAL 76 17.016 4.856 11.801 512 HG21 VAL 76 HG21 VAL 76 15.853 3.219 8.998 513 HG22 VAL 76 HG22 VAL 76 15.981 1.529 9.485 514 HG23 VAL 76 HG23 VAL 76 14.739 2.560 10.195 515 H ASN 77 H ASN 77 19.431 0.290 9.786 516 HA ASN 77 HA ASN 77 19.832 1.877 7.344 517 HB2 ASN 77 HB2 ASN 77 21.715 0.094 7.015 518 HB3 ASN 77 HB3 ASN 77 21.960 1.416 8.153 519 HD21 ASN 77 HD21 ASN 77 21.188 -1.977 7.829 520 HD22 ASN 77 HD22 ASN 77 21.607 -2.425 9.444 521 H ILE 78 H ILE 78 20.301 0.362 5.378 522 HA ILE 78 HA ILE 78 18.104 -1.597 5.263 523 HB ILE 78 HB ILE 78 18.260 -1.209 2.748 524 HG12 ILE 78 HG12 ILE 78 20.525 0.083 3.201 525 HG13 ILE 78 HG13 ILE 78 19.462 0.552 1.878 526 HG21 ILE 78 HG21 ILE 78 16.939 0.918 2.903 527 HG22 ILE 78 HG22 ILE 78 16.386 -0.383 3.955 528 HG23 ILE 78 HG23 ILE 78 17.325 0.952 4.623 529 HD11 ILE 78 HD11 ILE 78 18.799 2.477 2.916 530 HD12 ILE 78 HD12 ILE 78 19.113 1.846 4.533 531 HD13 ILE 78 HD13 ILE 78 20.457 2.337 3.501 532 HA PRO 79 HA PRO 79 20.895 -4.855 4.330 533 HB2 PRO 79 HB2 PRO 79 19.438 -6.333 2.580 534 HB3 PRO 79 HB3 PRO 79 19.074 -6.256 4.308 535 HG2 PRO 79 HG2 PRO 79 17.800 -4.780 2.037 536 HG3 PRO 79 HG3 PRO 79 17.035 -5.560 3.433 537 HD2 PRO 79 HD2 PRO 79 17.449 -2.888 3.303 538 HD3 PRO 79 HD3 PRO 79 17.492 -3.787 4.833 539 H TYR 80 H TYR 80 19.930 -2.630 1.961 540 HA TYR 80 HA TYR 80 21.902 -3.700 0.052 541 HB2 TYR 80 HB2 TYR 80 20.634 -2.213 -1.615 542 HB3 TYR 80 HB3 TYR 80 19.841 -3.690 -1.081 543 HD1 TYR 80 HD2 TYR 80 17.921 -3.594 0.433 544 HD2 TYR 80 HD1 TYR 80 19.778 -0.042 -0.993 545 HE1 TYR 80 HE2 TYR 80 15.962 -2.290 1.149 546 HE2 TYR 80 HE1 TYR 80 17.825 1.272 -0.281 547 HH TYR 80 HH TYR 80 15.587 1.072 0.311 548 H LYS 81 H LYS 81 22.496 -1.653 -1.498 549 HA LYS 81 HA LYS 81 23.746 0.259 0.340 550 HB2 LYS 81 HB2 LYS 81 24.439 -0.802 -2.363 551 HB3 LYS 81 HB3 LYS 81 25.008 0.803 -1.924 552 HG2 LYS 81 HG2 LYS 81 25.487 -1.209 0.135 553 HG3 LYS 81 HG3 LYS 81 26.299 -1.544 -1.396 554 HD2 LYS 81 HD2 LYS 81 27.165 0.812 -1.339 555 HD3 LYS 81 HD3 LYS 81 26.518 0.940 0.298 556 HE2 LYS 81 HE2 LYS 81 27.898 -1.085 0.879 557 HE3 LYS 81 HE3 LYS 81 28.665 -0.922 -0.700 558 HZ1 LYS 81 HZ1 LYS 81 28.720 1.572 0.570 559 HZ2 LYS 81 HZ2 LYS 81 30.025 0.579 0.155 560 HZ3 LYS 81 HZ3 LYS 81 29.291 0.420 1.671 561 H ILE 82 H ILE 82 23.954 2.519 -0.406 562 HA ILE 82 HA ILE 82 21.513 3.373 -1.816 563 HB ILE 82 HB ILE 82 23.104 4.992 0.173 564 HG12 ILE 82 HG12 ILE 82 20.592 4.409 1.251 565 HG13 ILE 82 HG13 ILE 82 21.151 2.883 0.576 566 HG21 ILE 82 HG21 ILE 82 21.372 6.576 0.078 567 HG22 ILE 82 HG22 ILE 82 21.690 6.143 -1.601 568 HG23 ILE 82 HG23 ILE 82 20.292 5.468 -0.767 569 HD11 ILE 82 HD11 ILE 82 23.364 3.836 1.900 570 HD12 ILE 82 HD12 ILE 82 22.023 4.301 2.946 571 HD13 ILE 82 HD13 ILE 82 22.240 2.612 2.489 572 H SER 83 H SER 83 22.030 3.843 -3.858 573 HA SER 83 HA SER 83 23.633 6.056 -4.505 574 HB2 SER 83 HB2 SER 83 25.629 5.191 -5.273 575 HB3 SER 83 HB3 SER 83 25.316 4.088 -3.933 576 HG SER 83 HG SER 83 25.707 2.749 -5.586 577 H THR 84 H THR 84 23.655 6.517 -6.778 578 HA THR 84 HA THR 84 21.299 5.644 -8.105 579 HB THR 84 HB THR 84 22.047 7.883 -8.510 580 HG1 THR 84 HG1 THR 84 22.681 6.580 -10.937 581 HG21 THR 84 HG21 THR 84 24.622 6.694 -8.601 582 HG22 THR 84 HG22 THR 84 24.207 8.408 -8.636 583 HG23 THR 84 HG23 THR 84 24.350 7.505 -10.143 584 H THR 85 H THR 85 24.352 4.274 -7.845 585 HA THR 85 HA THR 85 24.026 2.789 -10.368 586 HB THR 85 HB THR 85 26.390 2.289 -10.308 587 HG1 THR 85 HG1 THR 85 27.458 2.412 -8.491 588 HG21 THR 85 HG21 THR 85 25.939 5.221 -9.734 589 HG22 THR 85 HG22 THR 85 25.714 4.438 -11.298 590 HG23 THR 85 HG23 THR 85 27.321 4.526 -10.579 591 H THR 86 H THR 86 22.582 2.187 -7.939 592 HA THR 86 HA THR 86 23.757 -0.434 -7.273 593 HB THR 86 HB THR 86 22.004 1.352 -5.580 594 HG1 THR 86 HG1 THR 86 23.915 1.042 -4.163 595 HG21 THR 86 HG21 THR 86 22.661 -1.546 -5.365 596 HG22 THR 86 HG22 THR 86 21.177 -0.692 -4.943 597 HG23 THR 86 HG23 THR 86 22.585 -0.590 -3.886 598 H ASN 87 H ASN 87 22.457 -2.241 -7.324 599 HA ASN 87 HA ASN 87 19.812 -1.861 -8.564 600 HB2 ASN 87 HB2 ASN 87 21.550 -3.043 -9.940 601 HB3 ASN 87 HB3 ASN 87 21.562 -4.321 -8.729 602 HD21 ASN 87 HD21 ASN 87 21.017 -5.223 -11.073 603 HD22 ASN 87 HD22 ASN 87 19.332 -5.513 -11.319 604 H CYS 88 H CYS 88 18.310 -2.006 -7.019 605 HA CYS 88 HA CYS 88 18.635 -3.602 -4.669 606 HB2 CYS 88 HB2 CYS 88 16.536 -1.808 -5.776 607 HB3 CYS 88 HB3 CYS 88 16.028 -3.002 -4.585 608 H ASN 89 H ASN 89 17.309 -4.113 -7.814 609 HA ASN 89 HA ASN 89 15.498 -6.186 -7.264 610 HB2 ASN 89 HB2 ASN 89 15.892 -4.873 -9.460 611 HB3 ASN 89 HB3 ASN 89 17.136 -6.076 -9.785 612 HD21 ASN 89 HD21 ASN 89 14.063 -5.304 -10.428 613 HD22 ASN 89 HD22 ASN 89 13.400 -6.873 -10.716 614 H THR 90 H THR 90 18.934 -6.105 -7.274 615 HA THR 90 HA THR 90 19.159 -9.012 -7.447 616 HB THR 90 HB THR 90 21.692 -8.282 -7.021 617 HG1 THR 90 HG1 THR 90 20.571 -6.012 -8.331 618 HG21 THR 90 HG21 THR 90 21.195 -9.467 -8.974 619 HG22 THR 90 HG22 THR 90 21.823 -7.932 -9.573 620 HG23 THR 90 HG23 THR 90 20.084 -8.227 -9.556 621 H VAL 91 H VAL 91 18.030 -7.352 -5.127 622 HA VAL 91 HA VAL 91 19.864 -8.121 -2.985 623 HB VAL 91 HB VAL 91 17.281 -6.558 -2.868 624 HG11 VAL 91 HG11 VAL 91 18.670 -6.000 -0.580 625 HG12 VAL 91 HG12 VAL 91 17.327 -7.137 -0.704 626 HG13 VAL 91 HG13 VAL 91 18.989 -7.720 -0.800 627 HG21 VAL 91 HG21 VAL 91 19.225 -5.476 -4.038 628 HG22 VAL 91 HG22 VAL 91 18.615 -4.602 -2.633 629 HG23 VAL 91 HG23 VAL 91 20.096 -5.551 -2.507 630 H LYS 92 H LYS 92 19.572 -9.860 -1.747 631 HA LYS 92 HA LYS 92 17.131 -11.437 -2.128 632 HB2 LYS 92 HB2 LYS 92 19.943 -12.071 -1.389 633 HB3 LYS 92 HB3 LYS 92 18.680 -13.100 -0.725 634 HG2 LYS 92 HG2 LYS 92 18.161 -14.002 -2.740 635 HG3 LYS 92 HG3 LYS 92 18.579 -12.537 -3.630 636 HD2 LYS 92 HD2 LYS 92 20.799 -13.946 -2.272 637 HD3 LYS 92 HD3 LYS 92 20.083 -14.756 -3.668 638 HE2 LYS 92 HE2 LYS 92 20.964 -11.882 -3.742 639 HE3 LYS 92 HE3 LYS 92 22.056 -13.215 -4.116 640 HZ1 LYS 92 HZ1 LYS 92 21.238 -13.267 -6.156 641 HZ2 LYS 92 HZ2 LYS 92 20.196 -11.983 -5.799 642 HZ3 LYS 92 HZ3 LYS 92 19.684 -13.578 -5.561 643 H PHE 93 H PHE 93 15.589 -10.942 -0.704 644 HA PHE 93 HA PHE 93 14.518 -10.468 1.249 645 HB2 PHE 93 HB2 PHE 93 16.621 -12.442 1.978 646 HB3 PHE 93 HB3 PHE 93 15.785 -11.630 3.297 647 HD1 PHE 93 HD1 PHE 93 13.283 -11.793 3.429 648 HD2 PHE 93 HD2 PHE 93 15.609 -14.191 0.791 649 HE1 PHE 93 HE1 PHE 93 11.405 -13.368 3.210 650 HE2 PHE 93 HE2 PHE 93 13.734 -15.769 0.567 651 HZ PHE 93 HZ PHE 93 11.629 -15.358 1.776 Start of MODEL 17 1 H1 ALA 1 H ALA 1 0.912 -0.140 1.516 2 HA ALA 1 HA ALA 1 3.119 -0.489 0.636 3 HB1 ALA 1 HB1 ALA 1 1.795 -1.573 -0.883 4 HB2 ALA 1 HB2 ALA 1 0.941 -0.103 -1.355 5 HB3 ALA 1 HB3 ALA 1 2.580 -0.395 -1.936 6 H ILE 2 H ILE 2 4.923 0.315 -0.478 7 HA ILE 2 HA ILE 2 5.169 3.182 -0.405 8 HB ILE 2 HB ILE 2 7.165 1.096 -1.294 9 HG12 ILE 2 HG12 ILE 2 8.146 1.922 1.029 10 HG13 ILE 2 HG13 ILE 2 6.454 2.285 1.351 11 HG21 ILE 2 HG21 ILE 2 8.638 3.212 -0.500 12 HG22 ILE 2 HG22 ILE 2 8.164 2.913 -2.171 13 HG23 ILE 2 HG23 ILE 2 7.234 4.035 -1.178 14 HD11 ILE 2 HD11 ILE 2 5.830 0.049 1.224 15 HD12 ILE 2 HD12 ILE 2 7.305 -0.411 0.372 16 HD13 ILE 2 HD13 ILE 2 7.370 0.017 2.082 17 H SER 3 H SER 3 5.617 4.558 -2.126 18 HA SER 3 HA SER 3 5.442 3.478 -4.836 19 HB2 SER 3 HB2 SER 3 3.134 4.018 -4.312 20 HB3 SER 3 HB3 SER 3 3.602 5.622 -3.747 21 HG SER 3 HG SER 3 3.665 6.296 -5.740 22 H CYS 4 H CYS 4 5.281 6.719 -3.362 23 HA CYS 4 HA CYS 4 7.938 7.440 -3.930 24 HB2 CYS 4 HB2 CYS 4 6.505 7.315 -6.251 25 HB3 CYS 4 HB3 CYS 4 6.280 9.001 -5.799 26 H GLY 5 H GLY 5 4.596 8.574 -3.682 27 HA2 GLY 5 HA2 GLY 5 5.042 11.198 -2.890 28 HA3 GLY 5 HA3 GLY 5 3.658 10.232 -2.401 29 H ALA 6 H ALA 6 5.224 8.242 -0.995 30 HA ALA 6 HA ALA 6 5.549 9.694 1.491 31 HB1 ALA 6 HB1 ALA 6 5.520 6.780 0.772 32 HB2 ALA 6 HB2 ALA 6 5.983 7.336 2.381 33 HB3 ALA 6 HB3 ALA 6 4.372 7.689 1.756 34 H VAL 7 H VAL 7 7.542 8.322 -0.978 35 HA VAL 7 HA VAL 7 9.922 8.108 0.607 36 HB VAL 7 HB VAL 7 9.802 8.291 -2.399 37 HG11 VAL 7 HG11 VAL 7 11.689 6.432 -1.268 38 HG12 VAL 7 HG12 VAL 7 11.971 7.804 -2.341 39 HG13 VAL 7 HG13 VAL 7 11.918 8.045 -0.594 40 HG21 VAL 7 HG21 VAL 7 9.576 5.857 -2.436 41 HG22 VAL 7 HG22 VAL 7 9.433 5.839 -0.679 42 HG23 VAL 7 HG23 VAL 7 8.187 6.615 -1.657 43 H THR 8 H THR 8 8.621 10.467 -1.688 44 HA THR 8 HA THR 8 10.890 12.171 -1.672 45 HB THR 8 HB THR 8 8.043 12.972 -2.289 46 HG1 THR 8 HG1 THR 8 10.026 11.771 -3.949 47 HG21 THR 8 HG21 THR 8 10.743 14.122 -2.941 48 HG22 THR 8 HG22 THR 8 9.360 14.915 -2.189 49 HG23 THR 8 HG23 THR 8 9.315 14.503 -3.902 50 H SER 9 H SER 9 8.184 11.776 0.450 51 HA SER 9 HA SER 9 8.183 14.320 1.665 52 HB2 SER 9 HB2 SER 9 6.276 13.139 2.202 53 HB3 SER 9 HB3 SER 9 7.145 11.617 2.396 54 HG SER 9 HG SER 9 7.309 12.036 4.439 55 H ASP 10 H ASP 10 9.699 11.263 2.685 56 HA ASP 10 HA ASP 10 11.087 12.492 4.867 57 HB2 ASP 10 HB2 ASP 10 11.884 9.853 3.681 58 HB3 ASP 10 HB3 ASP 10 11.903 10.364 5.367 59 H LEU 11 H LEU 11 11.685 12.114 1.514 60 HA LEU 11 HA LEU 11 14.526 12.193 1.575 61 HB2 LEU 11 HB2 LEU 11 12.438 12.638 -0.512 62 HB3 LEU 11 HB3 LEU 11 14.110 13.082 -0.846 63 HG LEU 11 HG LEU 11 13.382 10.315 0.062 64 HD11 LEU 11 HD11 LEU 11 13.741 10.088 -2.631 65 HD12 LEU 11 HD12 LEU 11 12.810 11.581 -2.511 66 HD13 LEU 11 HD13 LEU 11 12.180 10.091 -1.811 67 HD21 LEU 11 HD21 LEU 11 15.458 9.967 -1.508 68 HD22 LEU 11 HD22 LEU 11 15.665 10.497 0.162 69 HD23 LEU 11 HD23 LEU 11 15.740 11.672 -1.152 70 H SER 12 H SER 12 12.005 14.634 1.479 71 HA SER 12 HA SER 12 13.472 16.873 0.768 72 HB2 SER 12 HB2 SER 12 11.010 16.406 2.372 73 HB3 SER 12 HB3 SER 12 11.771 17.991 2.508 74 HG SER 12 HG SER 12 10.171 17.195 0.618 75 HA PRO 13 HA PRO 13 14.536 17.581 5.431 76 HB2 PRO 13 HB2 PRO 13 14.048 15.529 7.139 77 HB3 PRO 13 HB3 PRO 13 12.856 16.783 6.779 78 HG2 PRO 13 HG2 PRO 13 13.092 14.017 5.659 79 HG3 PRO 13 HG3 PRO 13 11.642 14.890 6.190 80 HD2 PRO 13 HD2 PRO 13 12.332 14.662 3.581 81 HD3 PRO 13 HD3 PRO 13 11.489 16.086 4.225 82 H CYS 14 H CYS 14 14.971 14.459 3.938 83 HA CYS 14 HA CYS 14 17.437 13.896 5.338 84 HB2 CYS 14 HB2 CYS 14 15.880 12.516 3.168 85 HB3 CYS 14 HB3 CYS 14 17.522 12.012 3.554 86 H LEU 15 H LEU 15 16.494 15.674 2.603 87 HA LEU 15 HA LEU 15 18.757 15.347 0.950 88 HB2 LEU 15 HB2 LEU 15 16.552 17.310 1.195 89 HB3 LEU 15 HB3 LEU 15 17.990 17.825 0.315 90 HG LEU 15 HG LEU 15 16.235 15.463 -0.353 91 HD11 LEU 15 HD11 LEU 15 15.233 17.640 -0.865 92 HD12 LEU 15 HD12 LEU 15 15.644 16.745 -2.328 93 HD13 LEU 15 HD13 LEU 15 16.668 18.077 -1.792 94 HD21 LEU 15 HD21 LEU 15 17.696 15.579 -2.482 95 HD22 LEU 15 HD22 LEU 15 18.341 14.784 -1.046 96 HD23 LEU 15 HD23 LEU 15 18.848 16.425 -1.450 97 H THR 16 H THR 16 17.974 17.784 3.416 98 HA THR 16 HA THR 16 20.181 19.416 3.203 99 HB THR 16 HB THR 16 19.067 18.633 5.889 100 HG1 THR 16 HG1 THR 16 17.918 20.526 4.098 101 HG21 THR 16 HG21 THR 16 19.829 21.365 4.891 102 HG22 THR 16 HG22 THR 16 21.016 20.264 5.590 103 HG23 THR 16 HG23 THR 16 19.646 20.813 6.555 104 H TYR 17 H TYR 17 19.907 16.293 4.807 105 HA TYR 17 HA TYR 17 22.605 16.436 5.850 106 HB2 TYR 17 HB2 TYR 17 20.792 15.315 7.118 107 HB3 TYR 17 HB3 TYR 17 20.666 14.114 5.837 108 HD1 TYR 17 HD2 TYR 17 23.353 15.621 7.964 109 HD2 TYR 17 HD1 TYR 17 21.697 12.099 6.245 110 HE1 TYR 17 HE2 TYR 17 25.091 14.273 9.066 111 HE2 TYR 17 HE1 TYR 17 23.429 10.741 7.343 112 HH TYR 17 HH TYR 17 26.185 12.105 8.798 113 H LEU 18 H LEU 18 20.871 14.832 3.242 114 HA LEU 18 HA LEU 18 23.032 13.163 2.436 115 HB2 LEU 18 HB2 LEU 18 20.420 13.985 1.260 116 HB3 LEU 18 HB3 LEU 18 21.617 13.213 0.222 117 HG LEU 18 HG LEU 18 20.415 12.018 2.719 118 HD11 LEU 18 HD11 LEU 18 18.999 12.284 0.574 119 HD12 LEU 18 HD12 LEU 18 19.062 10.712 1.370 120 HD13 LEU 18 HD13 LEU 18 20.035 11.009 -0.071 121 HD21 LEU 18 HD21 LEU 18 22.835 11.435 1.385 122 HD22 LEU 18 HD22 LEU 18 21.701 10.140 1.001 123 HD23 LEU 18 HD23 LEU 18 22.058 10.530 2.684 124 H THR 19 H THR 19 22.558 16.466 2.219 125 HA THR 19 HA THR 19 24.061 16.775 -0.268 126 HB THR 19 HB THR 19 23.730 19.288 0.344 127 HG1 THR 19 HG1 THR 19 22.518 19.662 2.034 128 HG21 THR 19 HG21 THR 19 22.097 19.257 -1.197 129 HG22 THR 19 HG22 THR 19 21.072 18.208 -0.218 130 HG23 THR 19 HG23 THR 19 22.343 17.512 -1.222 131 H GLY 20 H GLY 20 24.612 16.597 3.069 132 HA2 GLY 20 HA2 GLY 20 26.935 16.421 3.779 133 HA3 GLY 20 HA3 GLY 20 27.304 17.747 2.686 134 H GLY 21 H GLY 21 24.380 18.241 4.289 135 HA2 GLY 21 HA2 GLY 21 25.598 20.329 5.909 136 HA3 GLY 21 HA3 GLY 21 23.879 20.089 5.635 137 HA PRO 22 HA PRO 22 24.854 18.756 9.965 138 HB2 PRO 22 HB2 PRO 22 22.745 20.046 11.086 139 HB3 PRO 22 HB3 PRO 22 24.306 20.824 10.802 140 HG2 PRO 22 HG2 PRO 22 21.797 20.963 9.175 141 HG3 PRO 22 HG3 PRO 22 22.914 22.265 9.621 142 HD2 PRO 22 HD2 PRO 22 22.949 21.087 7.184 143 HD3 PRO 22 HD3 PRO 22 24.416 21.716 7.961 144 H GLY 23 H GLY 23 23.998 16.971 10.895 145 HA2 GLY 23 HA2 GLY 23 21.428 16.169 11.202 146 HA3 GLY 23 HA3 GLY 23 21.798 15.663 9.560 147 HA PRO 24 HA PRO 24 20.866 13.879 9.331 148 HB2 PRO 24 HB2 PRO 24 19.533 11.741 10.342 149 HB3 PRO 24 HB3 PRO 24 20.884 11.584 9.213 150 HG2 PRO 24 HG2 PRO 24 20.864 11.300 12.193 151 HG3 PRO 24 HG3 PRO 24 21.681 10.298 10.979 152 HD2 PRO 24 HD2 PRO 24 22.976 12.194 12.415 153 HD3 PRO 24 HD3 PRO 24 23.429 11.783 10.748 154 H SER 25 H SER 25 19.015 14.992 9.559 155 HA SER 25 HA SER 25 18.313 16.169 12.019 156 HB2 SER 25 HB2 SER 25 16.788 17.390 10.817 157 HB3 SER 25 HB3 SER 25 17.783 16.813 9.480 158 HG SER 25 HG SER 25 15.599 16.438 9.043 159 HA PRO 26 HA PRO 26 15.533 13.371 13.937 160 HB2 PRO 26 HB2 PRO 26 13.539 14.993 14.809 161 HB3 PRO 26 HB3 PRO 26 15.150 14.977 15.535 162 HG2 PRO 26 HG2 PRO 26 13.993 16.879 13.535 163 HG3 PRO 26 HG3 PRO 26 14.986 17.225 14.963 164 HD2 PRO 26 HD2 PRO 26 16.010 17.163 12.456 165 HD3 PRO 26 HD3 PRO 26 16.950 16.682 13.884 166 H GLN 27 H GLN 27 13.880 15.682 11.798 167 HA GLN 27 HA GLN 27 11.545 14.131 11.441 168 HB2 GLN 27 HB2 GLN 27 12.772 16.474 10.068 169 HB3 GLN 27 HB3 GLN 27 11.498 15.600 9.229 170 HG2 GLN 27 HG2 GLN 27 9.911 16.105 10.870 171 HG3 GLN 27 HG3 GLN 27 11.144 16.578 12.038 172 HE21 GLN 27 HE21 GLN 27 10.543 18.627 12.440 173 HE22 GLN 27 HE22 GLN 27 10.477 19.880 11.253 174 H CYS 28 H CYS 28 14.628 14.250 9.764 175 HA CYS 28 HA CYS 28 13.887 12.714 7.514 176 HB2 CYS 28 HB2 CYS 28 15.894 13.949 7.333 177 HB3 CYS 28 HB3 CYS 28 16.531 13.289 8.836 178 H CYS 29 H CYS 29 15.501 11.796 10.551 179 HA CYS 29 HA CYS 29 15.836 9.095 10.071 180 HB2 CYS 29 HB2 CYS 29 15.310 10.619 12.616 181 HB3 CYS 29 HB3 CYS 29 15.586 8.880 12.618 182 H GLY 30 H GLY 30 13.037 10.704 11.579 183 HA2 GLY 30 HA2 GLY 30 11.478 8.464 12.074 184 HA3 GLY 30 HA3 GLY 30 10.838 10.064 11.730 185 H GLY 31 H GLY 31 11.622 10.424 9.109 186 HA2 GLY 31 HA2 GLY 31 9.627 8.946 7.735 187 HA3 GLY 31 HA3 GLY 31 10.800 10.028 6.999 188 H VAL 32 H VAL 32 13.161 8.725 7.784 189 HA VAL 32 HA VAL 32 13.529 6.901 5.728 190 HB VAL 32 HB VAL 32 15.084 7.087 8.312 191 HG11 VAL 32 HG11 VAL 32 15.576 5.635 5.742 192 HG12 VAL 32 HG12 VAL 32 16.927 6.195 6.729 193 HG13 VAL 32 HG13 VAL 32 15.754 5.062 7.400 194 HG21 VAL 32 HG21 VAL 32 15.826 9.036 7.550 195 HG22 VAL 32 HG22 VAL 32 16.483 8.212 6.136 196 HG23 VAL 32 HG23 VAL 32 14.848 8.871 6.091 197 H LYS 33 H LYS 33 13.316 6.133 9.208 198 HA LYS 33 HA LYS 33 13.243 3.367 8.955 199 HB2 LYS 33 HB2 LYS 33 12.242 5.275 11.039 200 HB3 LYS 33 HB3 LYS 33 11.885 3.559 11.184 201 HG2 LYS 33 HG2 LYS 33 14.220 3.018 11.249 202 HG3 LYS 33 HG3 LYS 33 14.660 4.692 10.906 203 HD2 LYS 33 HD2 LYS 33 14.518 5.244 13.061 204 HD3 LYS 33 HD3 LYS 33 12.914 4.522 13.202 205 HE2 LYS 33 HE2 LYS 33 14.141 2.277 13.297 206 HE3 LYS 33 HE3 LYS 33 15.597 3.228 13.584 207 HZ1 LYS 33 HZ1 LYS 33 14.048 2.357 15.535 208 HZ2 LYS 33 HZ2 LYS 33 13.288 3.840 15.249 209 HZ3 LYS 33 HZ3 LYS 33 14.930 3.796 15.650 210 H LYS 34 H LYS 34 10.787 5.719 8.348 211 HA LYS 34 HA LYS 34 8.541 3.976 8.551 212 HB2 LYS 34 HB2 LYS 34 8.623 6.572 8.568 213 HB3 LYS 34 HB3 LYS 34 8.606 6.427 6.815 214 HG2 LYS 34 HG2 LYS 34 6.545 4.781 7.592 215 HG3 LYS 34 HG3 LYS 34 6.447 6.122 8.735 216 HD2 LYS 34 HD2 LYS 34 6.741 7.573 6.564 217 HD3 LYS 34 HD3 LYS 34 6.128 6.121 5.769 218 HE2 LYS 34 HE2 LYS 34 4.277 6.231 7.593 219 HE3 LYS 34 HE3 LYS 34 4.783 7.913 7.752 220 HZ1 LYS 34 HZ1 LYS 34 4.490 7.963 5.216 221 HZ2 LYS 34 HZ2 LYS 34 3.105 8.004 6.186 222 HZ3 LYS 34 HZ3 LYS 34 3.566 6.562 5.431 223 H LEU 35 H LEU 35 10.560 5.092 5.862 224 HA LEU 35 HA LEU 35 9.100 3.811 3.814 225 HB2 LEU 35 HB2 LEU 35 10.828 5.642 3.576 226 HB3 LEU 35 HB3 LEU 35 12.052 4.390 3.778 227 HG LEU 35 HG LEU 35 9.995 4.219 1.600 228 HD11 LEU 35 HD11 LEU 35 10.846 6.154 0.823 229 HD12 LEU 35 HD12 LEU 35 12.172 5.117 0.298 230 HD13 LEU 35 HD13 LEU 35 12.309 6.030 1.800 231 HD21 LEU 35 HD21 LEU 35 11.040 2.228 1.505 232 HD22 LEU 35 HD22 LEU 35 12.453 2.807 2.388 233 HD23 LEU 35 HD23 LEU 35 12.290 3.145 0.664 234 H LEU 36 H LEU 36 11.608 2.721 5.990 235 HA LEU 36 HA LEU 36 11.997 0.230 4.562 236 HB2 LEU 36 HB2 LEU 36 13.021 0.899 7.305 237 HB3 LEU 36 HB3 LEU 36 13.670 -0.265 6.151 238 HG LEU 36 HG LEU 36 13.745 2.733 5.814 239 HD11 LEU 36 HD11 LEU 36 15.327 2.530 7.413 240 HD12 LEU 36 HD12 LEU 36 16.312 2.006 6.048 241 HD13 LEU 36 HD13 LEU 36 15.571 0.810 7.112 242 HD21 LEU 36 HD21 LEU 36 14.209 0.521 4.018 243 HD22 LEU 36 HD22 LEU 36 15.665 1.497 4.220 244 HD23 LEU 36 HD23 LEU 36 14.163 2.252 3.684 245 H ALA 37 H ALA 37 10.242 1.424 7.333 246 HA ALA 37 HA ALA 37 9.597 -1.153 8.401 247 HB1 ALA 37 HB1 ALA 37 9.602 0.685 9.910 248 HB2 ALA 37 HB2 ALA 37 8.468 1.591 8.908 249 HB3 ALA 37 HB3 ALA 37 7.931 0.142 9.757 250 H ALA 38 H ALA 38 8.165 1.015 6.069 251 HA ALA 38 HA ALA 38 5.644 -0.388 5.987 252 HB1 ALA 38 HB1 ALA 38 6.740 1.705 4.112 253 HB2 ALA 38 HB2 ALA 38 5.070 1.141 4.191 254 HB3 ALA 38 HB3 ALA 38 5.767 2.024 5.548 255 H ALA 39 H ALA 39 8.658 -1.128 4.897 256 HA ALA 39 HA ALA 39 7.577 -2.736 2.676 257 HB1 ALA 39 HB1 ALA 39 9.349 -2.263 1.309 258 HB2 ALA 39 HB2 ALA 39 9.211 -0.735 2.180 259 HB3 ALA 39 HB3 ALA 39 10.436 -1.913 2.653 260 H ASN 40 H ASN 40 7.352 -4.665 3.709 261 HA ASN 40 HA ASN 40 9.627 -5.713 5.230 262 HB2 ASN 40 HB2 ASN 40 6.826 -6.830 4.985 263 HB3 ASN 40 HB3 ASN 40 8.079 -7.382 6.093 264 HD21 ASN 40 HD21 ASN 40 8.773 -5.929 7.761 265 HD22 ASN 40 HD22 ASN 40 7.681 -4.738 8.374 266 H THR 41 H THR 41 7.735 -6.247 2.348 267 HA THR 41 HA THR 41 9.144 -8.742 1.772 268 HB THR 41 HB THR 41 7.611 -9.057 -0.050 269 HG1 THR 41 HG1 THR 41 6.536 -6.483 0.533 270 HG21 THR 41 HG21 THR 41 5.951 -7.912 2.186 271 HG22 THR 41 HG22 THR 41 6.826 -9.436 2.336 272 HG23 THR 41 HG23 THR 41 5.562 -9.260 1.118 273 H THR 42 H THR 42 9.354 -8.785 -0.903 274 HA THR 42 HA THR 42 11.577 -7.004 -1.372 275 HB THR 42 HB THR 42 10.537 -8.745 -3.552 276 HG1 THR 42 HG1 THR 42 11.747 -9.713 -1.159 277 HG21 THR 42 HG21 THR 42 12.612 -7.384 -3.754 278 HG22 THR 42 HG22 THR 42 12.885 -9.113 -3.965 279 HG23 THR 42 HG23 THR 42 13.315 -8.332 -2.444 280 HA PRO 43 HA PRO 43 8.402 -5.874 -5.058 281 HB2 PRO 43 HB2 PRO 43 6.027 -6.080 -3.265 282 HB3 PRO 43 HB3 PRO 43 6.160 -6.402 -4.998 283 HG2 PRO 43 HG2 PRO 43 6.051 -8.396 -3.211 284 HG3 PRO 43 HG3 PRO 43 7.045 -8.511 -4.675 285 HD2 PRO 43 HD2 PRO 43 7.857 -8.116 -1.862 286 HD3 PRO 43 HD3 PRO 43 8.730 -8.886 -3.203 287 H ASP 44 H ASP 44 7.550 -5.148 -1.673 288 HA ASP 44 HA ASP 44 6.872 -2.447 -2.123 289 HB2 ASP 44 HB2 ASP 44 7.451 -4.133 0.259 290 HB3 ASP 44 HB3 ASP 44 7.540 -2.386 0.467 291 H ARG 45 H ARG 45 9.855 -3.935 -0.877 292 HA ARG 45 HA ARG 45 11.299 -1.550 -0.556 293 HB2 ARG 45 HB2 ARG 45 12.147 -4.409 -0.976 294 HB3 ARG 45 HB3 ARG 45 13.322 -3.114 -0.786 295 HG2 ARG 45 HG2 ARG 45 11.793 -2.630 1.356 296 HG3 ARG 45 HG3 ARG 45 11.542 -4.370 1.202 297 HD2 ARG 45 HD2 ARG 45 14.325 -3.399 0.965 298 HD3 ARG 45 HD3 ARG 45 13.584 -3.293 2.562 299 HE ARG 45 HE ARG 45 14.374 -5.685 1.168 300 HH11 ARG 45 HH11 ARG 45 12.331 -4.341 3.646 301 HH12 ARG 45 HH12 ARG 45 12.166 -5.837 4.504 302 HH21 ARG 45 HH21 ARG 45 14.165 -7.660 2.289 303 HH22 ARG 45 HH22 ARG 45 13.211 -7.724 3.732 304 H GLN 46 H GLN 46 10.586 -3.460 -3.362 305 HA GLN 46 HA GLN 46 12.660 -2.487 -5.035 306 HB2 GLN 46 HB2 GLN 46 10.122 -3.984 -5.422 307 HB3 GLN 46 HB3 GLN 46 10.797 -3.172 -6.828 308 HG2 GLN 46 HG2 GLN 46 13.001 -4.373 -6.064 309 HG3 GLN 46 HG3 GLN 46 11.868 -5.458 -5.260 310 HE21 GLN 46 HE21 GLN 46 13.634 -6.137 -7.381 311 HE22 GLN 46 HE22 GLN 46 12.667 -6.626 -8.726 312 H ALA 47 H ALA 47 9.246 -1.565 -4.660 313 HA ALA 47 HA ALA 47 9.174 0.456 -6.578 314 HB1 ALA 47 HB1 ALA 47 7.072 -0.011 -5.858 315 HB2 ALA 47 HB2 ALA 47 7.573 -0.224 -4.180 316 HB3 ALA 47 HB3 ALA 47 7.386 1.398 -4.845 317 H ALA 48 H ALA 48 9.838 0.709 -3.087 318 HA ALA 48 HA ALA 48 10.293 3.480 -3.046 319 HB1 ALA 48 HB1 ALA 48 9.991 1.736 -1.113 320 HB2 ALA 48 HB2 ALA 48 11.754 1.688 -1.167 321 HB3 ALA 48 HB3 ALA 48 10.922 3.212 -0.857 322 H CYS 49 H CYS 49 12.647 0.799 -3.117 323 HA CYS 49 HA CYS 49 14.985 2.223 -3.231 324 HB2 CYS 49 HB2 CYS 49 14.126 -0.421 -4.298 325 HB3 CYS 49 HB3 CYS 49 15.661 0.224 -4.869 326 H ASN 50 H ASN 50 12.685 1.631 -5.820 327 HA ASN 50 HA ASN 50 14.281 2.544 -7.959 328 HB2 ASN 50 HB2 ASN 50 11.273 2.485 -7.639 329 HB3 ASN 50 HB3 ASN 50 12.106 2.826 -9.153 330 HD21 ASN 50 HD21 ASN 50 10.273 0.675 -8.508 331 HD22 ASN 50 HD22 ASN 50 11.130 -0.797 -8.796 332 H CYS 51 H CYS 51 11.679 4.210 -6.175 333 HA CYS 51 HA CYS 51 12.103 6.723 -7.381 334 HB2 CYS 51 HB2 CYS 51 10.605 5.715 -5.017 335 HB3 CYS 51 HB3 CYS 51 10.944 7.442 -5.078 336 H LEU 52 H LEU 52 13.627 5.107 -4.711 337 HA LEU 52 HA LEU 52 14.825 7.441 -3.570 338 HB2 LEU 52 HB2 LEU 52 15.033 4.509 -3.184 339 HB3 LEU 52 HB3 LEU 52 16.388 5.495 -2.638 340 HG LEU 52 HG LEU 52 13.530 5.838 -1.733 341 HD11 LEU 52 HD11 LEU 52 15.843 4.652 -0.214 342 HD12 LEU 52 HD12 LEU 52 14.596 3.699 -1.017 343 HD13 LEU 52 HD13 LEU 52 14.163 4.778 0.308 344 HD21 LEU 52 HD21 LEU 52 16.060 7.302 -1.249 345 HD22 LEU 52 HD22 LEU 52 14.992 7.053 0.132 346 HD23 LEU 52 HD23 LEU 52 14.399 7.892 -1.303 347 H LYS 53 H LYS 53 16.120 4.738 -5.499 348 HA LYS 53 HA LYS 53 18.719 5.601 -5.790 349 HB2 LYS 53 HB2 LYS 53 17.409 3.475 -6.695 350 HB3 LYS 53 HB3 LYS 53 17.369 4.425 -8.175 351 HG2 LYS 53 HG2 LYS 53 19.465 3.891 -8.642 352 HG3 LYS 53 HG3 LYS 53 20.013 4.451 -7.060 353 HD2 LYS 53 HD2 LYS 53 20.565 2.099 -7.390 354 HD3 LYS 53 HD3 LYS 53 19.393 2.291 -6.084 355 HE2 LYS 53 HE2 LYS 53 17.971 1.986 -8.528 356 HE3 LYS 53 HE3 LYS 53 19.188 0.713 -8.435 357 HZ1 LYS 53 HZ1 LYS 53 17.573 -0.295 -7.255 358 HZ2 LYS 53 HZ2 LYS 53 16.831 1.151 -6.789 359 HZ3 LYS 53 HZ3 LYS 53 18.212 0.609 -5.976 360 H SER 54 H SER 54 15.874 6.543 -7.665 361 HA SER 54 HA SER 54 17.328 8.178 -9.500 362 HB2 SER 54 HB2 SER 54 14.930 7.102 -9.694 363 HB3 SER 54 HB3 SER 54 14.417 8.614 -8.946 364 HG SER 54 HG SER 54 15.317 9.736 -10.660 365 H ALA 55 H ALA 55 15.754 8.696 -6.419 366 HA ALA 55 HA ALA 55 15.716 11.531 -6.504 367 HB1 ALA 55 HB1 ALA 55 15.697 9.654 -4.143 368 HB2 ALA 55 HB2 ALA 55 15.358 11.384 -4.071 369 HB3 ALA 55 HB3 ALA 55 14.289 10.313 -4.976 370 H ALA 56 H ALA 56 17.887 9.276 -4.787 371 HA ALA 56 HA ALA 56 19.694 11.269 -3.929 372 HB1 ALA 56 HB1 ALA 56 21.162 9.447 -3.325 373 HB2 ALA 56 HB2 ALA 56 19.501 9.041 -2.888 374 HB3 ALA 56 HB3 ALA 56 20.234 8.329 -4.326 375 H GLY 57 H GLY 57 19.284 9.641 -6.941 376 HA2 GLY 57 HA2 GLY 57 21.907 9.835 -7.961 377 HA3 GLY 57 HA3 GLY 57 20.440 9.723 -8.922 378 H SER 58 H SER 58 19.556 12.246 -7.363 379 HA SER 58 HA SER 58 20.825 14.112 -9.234 380 HB2 SER 58 HB2 SER 58 18.884 15.357 -9.209 381 HB3 SER 58 HB3 SER 58 18.222 13.757 -8.876 382 HG SER 58 HG SER 58 17.979 15.903 -7.400 383 H ILE 59 H ILE 59 21.869 13.106 -6.555 384 HA ILE 59 HA ILE 59 21.966 15.561 -4.995 385 HB ILE 59 HB ILE 59 23.221 12.865 -4.467 386 HG12 ILE 59 HG12 ILE 59 20.735 12.906 -4.408 387 HG13 ILE 59 HG13 ILE 59 21.452 12.558 -2.839 388 HG21 ILE 59 HG21 ILE 59 23.074 15.359 -2.786 389 HG22 ILE 59 HG22 ILE 59 23.502 13.771 -2.152 390 HG23 ILE 59 HG23 ILE 59 24.521 14.538 -3.370 391 HD11 ILE 59 HD11 ILE 59 19.555 14.507 -3.455 392 HD12 ILE 59 HD12 ILE 59 20.408 14.279 -1.928 393 HD13 ILE 59 HD13 ILE 59 21.054 15.381 -3.143 394 H THR 60 H THR 60 23.395 17.066 -5.530 395 HA THR 60 HA THR 60 25.547 16.759 -7.266 396 HB THR 60 HB THR 60 24.751 18.962 -6.897 397 HG1 THR 60 HG1 THR 60 26.694 20.027 -6.333 398 HG21 THR 60 HG21 THR 60 24.715 18.148 -4.136 399 HG22 THR 60 HG22 THR 60 23.911 19.515 -4.908 400 HG23 THR 60 HG23 THR 60 25.561 19.685 -4.311 401 H LYS 61 H LYS 61 27.297 15.548 -7.002 402 HA LYS 61 HA LYS 61 29.106 14.522 -6.081 403 HB2 LYS 61 HB2 LYS 61 28.893 17.031 -4.454 404 HB3 LYS 61 HB3 LYS 61 30.093 15.816 -4.033 405 HG2 LYS 61 HG2 LYS 61 30.661 16.005 -6.608 406 HG3 LYS 61 HG3 LYS 61 29.946 17.604 -6.394 407 HD2 LYS 61 HD2 LYS 61 31.949 16.693 -4.395 408 HD3 LYS 61 HD3 LYS 61 32.530 17.157 -5.996 409 HE2 LYS 61 HE2 LYS 61 32.496 19.265 -5.279 410 HE3 LYS 61 HE3 LYS 61 30.736 19.159 -5.310 411 HZ1 LYS 61 HZ1 LYS 61 32.045 18.104 -2.938 412 HZ2 LYS 61 HZ2 LYS 61 30.616 18.998 -3.080 413 HZ3 LYS 61 HZ3 LYS 61 32.114 19.783 -3.136 414 H LEU 62 H LEU 62 26.886 13.229 -5.429 415 HA LEU 62 HA LEU 62 26.114 12.953 -2.798 416 HB2 LEU 62 HB2 LEU 62 24.942 11.818 -4.546 417 HB3 LEU 62 HB3 LEU 62 26.371 10.875 -4.962 418 HG LEU 62 HG LEU 62 26.057 10.046 -2.445 419 HD11 LEU 62 HD11 LEU 62 23.844 11.621 -2.674 420 HD12 LEU 62 HD12 LEU 62 24.020 10.274 -1.550 421 HD13 LEU 62 HD13 LEU 62 23.205 10.032 -3.096 422 HD21 LEU 62 HD21 LEU 62 25.341 9.088 -5.067 423 HD22 LEU 62 HD22 LEU 62 24.237 8.459 -3.844 424 HD23 LEU 62 HD23 LEU 62 25.974 8.201 -3.680 425 H ASN 63 H ASN 63 26.854 11.888 -1.019 426 HA ASN 63 HA ASN 63 29.580 10.791 -1.205 427 HB2 ASN 63 HB2 ASN 63 28.907 12.872 0.292 428 HB3 ASN 63 HB3 ASN 63 28.393 11.612 1.410 429 HD21 ASN 63 HD21 ASN 63 30.770 13.631 0.978 430 HD22 ASN 63 HD22 ASN 63 32.131 12.688 1.473 431 H THR 64 H THR 64 29.401 8.640 -1.406 432 HA THR 64 HA THR 64 27.339 7.009 -0.550 433 HB THR 64 HB THR 64 29.075 5.147 -0.571 434 HG1 THR 64 HG1 THR 64 31.097 5.898 -1.602 435 HG21 THR 64 HG21 THR 64 29.600 6.229 -3.149 436 HG22 THR 64 HG22 THR 64 27.963 6.692 -2.681 437 HG23 THR 64 HG23 THR 64 28.429 4.991 -2.695 438 H ASN 65 H ASN 65 30.187 8.104 1.204 439 HA ASN 65 HA ASN 65 29.914 6.394 3.434 440 HB2 ASN 65 HB2 ASN 65 31.397 8.910 2.845 441 HB3 ASN 65 HB3 ASN 65 31.196 8.459 4.535 442 HD21 ASN 65 HD21 ASN 65 33.043 7.630 5.196 443 HD22 ASN 65 HD22 ASN 65 33.966 6.425 4.370 444 H ASN 66 H ASN 66 28.744 9.677 2.789 445 HA ASN 66 HA ASN 66 27.561 10.062 5.336 446 HB2 ASN 66 HB2 ASN 66 26.884 11.391 2.701 447 HB3 ASN 66 HB3 ASN 66 26.424 11.972 4.298 448 HD21 ASN 66 HD21 ASN 66 27.699 13.716 2.815 449 HD22 ASN 66 HD22 ASN 66 29.342 13.914 3.309 450 H ALA 67 H ALA 67 26.331 8.871 2.245 451 HA ALA 67 HA ALA 67 23.616 8.753 2.864 452 HB1 ALA 67 HB1 ALA 67 25.392 7.386 0.926 453 HB2 ALA 67 HB2 ALA 67 23.804 6.673 1.214 454 HB3 ALA 67 HB3 ALA 67 23.933 8.340 0.653 455 H ALA 68 H ALA 68 26.214 6.455 3.529 456 HA ALA 68 HA ALA 68 24.465 4.459 4.616 457 HB1 ALA 68 HB1 ALA 68 26.355 3.449 3.846 458 HB2 ALA 68 HB2 ALA 68 27.400 4.789 4.318 459 HB3 ALA 68 HB3 ALA 68 26.814 3.656 5.536 460 H ALA 69 H ALA 69 26.189 7.211 5.850 461 HA ALA 69 HA ALA 69 26.119 6.454 8.601 462 HB1 ALA 69 HB1 ALA 69 27.730 8.028 8.319 463 HB2 ALA 69 HB2 ALA 69 26.827 8.893 7.075 464 HB3 ALA 69 HB3 ALA 69 26.401 9.095 8.774 465 H LEU 70 H LEU 70 23.900 8.010 6.425 466 HA LEU 70 HA LEU 70 22.255 9.378 8.200 467 HB2 LEU 70 HB2 LEU 70 21.707 9.816 6.031 468 HB3 LEU 70 HB3 LEU 70 21.904 8.138 5.528 469 HG LEU 70 HG LEU 70 19.740 7.580 6.508 470 HD11 LEU 70 HD11 LEU 70 18.320 9.156 7.526 471 HD12 LEU 70 HD12 LEU 70 19.338 10.510 7.038 472 HD13 LEU 70 HD13 LEU 70 19.898 9.388 8.278 473 HD21 LEU 70 HD21 LEU 70 20.004 8.480 4.152 474 HD22 LEU 70 HD22 LEU 70 19.400 10.015 4.777 475 HD23 LEU 70 HD23 LEU 70 18.388 8.572 4.852 476 HA PRO 71 HA PRO 71 19.615 5.358 8.686 477 HB2 PRO 71 HB2 PRO 71 20.691 3.046 7.755 478 HB3 PRO 71 HB3 PRO 71 19.680 4.102 6.763 479 HG2 PRO 71 HG2 PRO 71 22.664 3.876 6.856 480 HG3 PRO 71 HG3 PRO 71 21.596 4.021 5.447 481 HD2 PRO 71 HD2 PRO 71 22.969 6.125 6.458 482 HD3 PRO 71 HD3 PRO 71 21.378 6.303 5.691 483 H GLY 72 H GLY 72 23.128 4.948 8.827 484 HA2 GLY 72 HA2 GLY 72 23.154 3.100 10.975 485 HA3 GLY 72 HA3 GLY 72 24.504 4.101 10.461 486 H LYS 73 H LYS 73 23.545 6.632 10.897 487 HA LYS 73 HA LYS 73 23.803 6.830 13.744 488 HB2 LYS 73 HB2 LYS 73 23.586 8.775 11.482 489 HB3 LYS 73 HB3 LYS 73 23.325 9.345 13.125 490 HG2 LYS 73 HG2 LYS 73 25.551 9.729 12.962 491 HG3 LYS 73 HG3 LYS 73 25.605 8.060 13.536 492 HD2 LYS 73 HD2 LYS 73 25.924 7.245 11.296 493 HD3 LYS 73 HD3 LYS 73 25.686 8.862 10.629 494 HE2 LYS 73 HE2 LYS 73 28.069 8.165 10.753 495 HE3 LYS 73 HE3 LYS 73 27.713 9.643 11.645 496 HZ1 LYS 73 HZ1 LYS 73 28.361 8.706 13.534 497 HZ2 LYS 73 HZ2 LYS 73 28.981 7.425 12.620 498 HZ3 LYS 73 HZ3 LYS 73 27.425 7.320 13.276 499 H CYS 74 H CYS 74 21.181 6.681 11.537 500 HA CYS 74 HA CYS 74 19.276 7.958 13.298 501 HB2 CYS 74 HB2 CYS 74 19.172 6.693 10.593 502 HB3 CYS 74 HB3 CYS 74 17.673 6.854 11.503 503 H GLY 75 H GLY 75 20.823 5.124 13.501 504 HA2 GLY 75 HA2 GLY 75 20.442 3.242 14.767 505 HA3 GLY 75 HA3 GLY 75 18.966 4.007 15.338 506 H VAL 76 H VAL 76 19.595 3.460 11.945 507 HA VAL 76 HA VAL 76 17.888 1.091 11.921 508 HB VAL 76 HB VAL 76 16.235 2.778 11.632 509 HG11 VAL 76 HG11 VAL 76 16.974 4.800 11.030 510 HG12 VAL 76 HG12 VAL 76 18.359 4.134 10.163 511 HG13 VAL 76 HG13 VAL 76 16.786 4.231 9.372 512 HG21 VAL 76 HG21 VAL 76 16.301 0.794 10.031 513 HG22 VAL 76 HG22 VAL 76 15.289 2.163 9.571 514 HG23 VAL 76 HG23 VAL 76 16.868 1.941 8.817 515 H ASN 77 H ASN 77 19.725 -0.047 11.240 516 HA ASN 77 HA ASN 77 21.047 0.759 8.781 517 HB2 ASN 77 HB2 ASN 77 21.596 -1.837 10.171 518 HB3 ASN 77 HB3 ASN 77 22.705 -0.784 9.297 519 HD21 ASN 77 HD21 ASN 77 22.738 -1.975 12.036 520 HD22 ASN 77 HD22 ASN 77 23.015 -0.636 13.093 521 H ILE 78 H ILE 78 20.869 -0.248 6.832 522 HA ILE 78 HA ILE 78 18.811 -2.347 6.628 523 HB ILE 78 HB ILE 78 18.665 -1.553 4.195 524 HG12 ILE 78 HG12 ILE 78 20.815 -0.087 4.676 525 HG13 ILE 78 HG13 ILE 78 19.574 0.464 3.555 526 HG21 ILE 78 HG21 ILE 78 17.684 0.019 6.554 527 HG22 ILE 78 HG22 ILE 78 17.212 0.429 4.906 528 HG23 ILE 78 HG23 ILE 78 16.814 -1.156 5.568 529 HD11 ILE 78 HD11 ILE 78 20.539 2.059 5.382 530 HD12 ILE 78 HD12 ILE 78 18.822 2.089 4.978 531 HD13 ILE 78 HD13 ILE 78 19.374 1.237 6.420 532 HA PRO 79 HA PRO 79 21.704 -5.138 4.866 533 HB2 PRO 79 HB2 PRO 79 20.174 -6.437 3.038 534 HB3 PRO 79 HB3 PRO 79 20.001 -6.678 4.781 535 HG2 PRO 79 HG2 PRO 79 18.375 -4.972 2.934 536 HG3 PRO 79 HG3 PRO 79 17.831 -6.038 4.243 537 HD2 PRO 79 HD2 PRO 79 18.030 -3.353 4.537 538 HD3 PRO 79 HD3 PRO 79 18.310 -4.484 5.877 539 H TYR 80 H TYR 80 20.131 -2.799 2.885 540 HA TYR 80 HA TYR 80 22.113 -3.243 0.750 541 HB2 TYR 80 HB2 TYR 80 20.450 -1.895 -0.660 542 HB3 TYR 80 HB3 TYR 80 19.998 -3.543 -0.240 543 HD1 TYR 80 HD1 TYR 80 19.349 0.016 0.439 544 HD2 TYR 80 HD2 TYR 80 18.125 -3.988 1.195 545 HE1 TYR 80 HE1 TYR 80 17.247 0.848 1.408 546 HE2 TYR 80 HE2 TYR 80 16.020 -3.168 2.165 547 HH TYR 80 HH TYR 80 14.693 -1.366 2.430 548 H LYS 81 H LYS 81 22.363 -1.057 -0.556 549 HA LYS 81 HA LYS 81 23.116 0.971 1.434 550 HB2 LYS 81 HB2 LYS 81 24.751 -0.179 -0.308 551 HB3 LYS 81 HB3 LYS 81 24.108 1.059 -1.379 552 HG2 LYS 81 HG2 LYS 81 25.087 2.770 -0.221 553 HG3 LYS 81 HG3 LYS 81 25.104 1.877 1.301 554 HD2 LYS 81 HD2 LYS 81 27.355 1.986 0.616 555 HD3 LYS 81 HD3 LYS 81 26.823 0.353 0.207 556 HE2 LYS 81 HE2 LYS 81 26.605 0.911 -2.091 557 HE3 LYS 81 HE3 LYS 81 26.789 2.632 -1.759 558 HZ1 LYS 81 HZ1 LYS 81 29.065 2.298 -1.183 559 HZ2 LYS 81 HZ2 LYS 81 28.803 1.564 -2.684 560 HZ3 LYS 81 HZ3 LYS 81 28.915 0.616 -1.287 561 H ILE 82 H ILE 82 23.184 3.265 0.404 562 HA ILE 82 HA ILE 82 20.721 3.690 -1.156 563 HB ILE 82 HB ILE 82 21.686 5.386 1.150 564 HG12 ILE 82 HG12 ILE 82 19.034 4.434 1.503 565 HG13 ILE 82 HG13 ILE 82 20.028 3.053 1.054 566 HG21 ILE 82 HG21 ILE 82 20.650 6.979 -0.074 567 HG22 ILE 82 HG22 ILE 82 19.689 5.812 -0.982 568 HG23 ILE 82 HG23 ILE 82 19.207 6.271 0.651 569 HD11 ILE 82 HD11 ILE 82 20.536 2.931 3.212 570 HD12 ILE 82 HD12 ILE 82 21.568 4.333 2.928 571 HD13 ILE 82 HD13 ILE 82 19.927 4.554 3.535 572 H SER 83 H SER 83 21.597 4.170 -3.104 573 HA SER 83 HA SER 83 22.700 6.735 -3.523 574 HB2 SER 83 HB2 SER 83 24.599 4.444 -3.319 575 HB3 SER 83 HB3 SER 83 24.888 5.642 -4.581 576 HG SER 83 HG SER 83 25.196 5.843 -1.865 577 H THR 84 H THR 84 23.743 6.736 -5.900 578 HA THR 84 HA THR 84 21.629 5.802 -7.606 579 HB THR 84 HB THR 84 22.577 7.956 -8.098 580 HG1 THR 84 HG1 THR 84 23.350 7.469 -10.322 581 HG21 THR 84 HG21 THR 84 24.746 8.406 -7.867 582 HG22 THR 84 HG22 THR 84 25.153 7.237 -9.124 583 HG23 THR 84 HG23 THR 84 25.024 6.718 -7.443 584 H THR 85 H THR 85 24.270 4.291 -6.354 585 HA THR 85 HA THR 85 24.489 2.488 -8.676 586 HB THR 85 HB THR 85 26.773 2.031 -8.158 587 HG1 THR 85 HG1 THR 85 27.750 3.152 -6.317 588 HG21 THR 85 HG21 THR 85 27.616 3.939 -9.008 589 HG22 THR 85 HG22 THR 85 26.973 4.924 -7.694 590 HG23 THR 85 HG23 THR 85 25.934 4.467 -9.043 591 H THR 86 H THR 86 22.491 2.067 -6.861 592 HA THR 86 HA THR 86 23.488 -0.191 -5.248 593 HB THR 86 HB THR 86 21.136 1.638 -4.764 594 HG1 THR 86 HG1 THR 86 23.079 2.403 -3.923 595 HG21 THR 86 HG21 THR 86 21.689 -1.108 -3.765 596 HG22 THR 86 HG22 THR 86 20.148 -0.307 -4.078 597 HG23 THR 86 HG23 THR 86 21.061 0.074 -2.617 598 H ASN 87 H ASN 87 22.476 -2.157 -5.398 599 HA ASN 87 HA ASN 87 20.415 -2.393 -7.491 600 HB2 ASN 87 HB2 ASN 87 22.772 -3.420 -7.857 601 HB3 ASN 87 HB3 ASN 87 22.243 -4.648 -6.711 602 HD21 ASN 87 HD21 ASN 87 22.877 -5.580 -9.065 603 HD22 ASN 87 HD22 ASN 87 21.488 -5.971 -10.014 604 H CYS 88 H CYS 88 18.614 -2.320 -6.192 605 HA CYS 88 HA CYS 88 18.407 -3.942 -3.819 606 HB2 CYS 88 HB2 CYS 88 16.472 -2.167 -5.301 607 HB3 CYS 88 HB3 CYS 88 15.980 -3.136 -3.916 608 H ASN 89 H ASN 89 17.619 -4.247 -7.176 609 HA ASN 89 HA ASN 89 15.628 -6.232 -7.008 610 HB2 ASN 89 HB2 ASN 89 17.498 -5.275 -9.128 611 HB3 ASN 89 HB3 ASN 89 16.677 -6.812 -9.379 612 HD21 ASN 89 HD21 ASN 89 15.163 -6.388 -10.835 613 HD22 ASN 89 HD22 ASN 89 13.975 -5.140 -10.711 614 H THR 90 H THR 90 19.029 -6.339 -6.529 615 HA THR 90 HA THR 90 19.141 -9.241 -6.846 616 HB THR 90 HB THR 90 21.618 -8.674 -6.023 617 HG1 THR 90 HG1 THR 90 21.534 -6.515 -5.742 618 HG21 THR 90 HG21 THR 90 21.690 -9.629 -8.067 619 HG22 THR 90 HG22 THR 90 21.893 -7.970 -8.630 620 HG23 THR 90 HG23 THR 90 20.297 -8.720 -8.652 621 H VAL 91 H VAL 91 18.680 -6.898 -4.422 622 HA VAL 91 HA VAL 91 19.790 -8.362 -2.226 623 HB VAL 91 HB VAL 91 17.782 -6.104 -2.233 624 HG11 VAL 91 HG11 VAL 91 17.505 -6.581 -0.076 625 HG12 VAL 91 HG12 VAL 91 18.790 -7.790 -0.109 626 HG13 VAL 91 HG13 VAL 91 19.182 -6.092 0.166 627 HG21 VAL 91 HG21 VAL 91 19.543 -4.614 -2.025 628 HG22 VAL 91 HG22 VAL 91 20.670 -5.858 -1.486 629 HG23 VAL 91 HG23 VAL 91 20.179 -5.787 -3.178 630 H LYS 92 H LYS 92 18.952 -10.093 -1.287 631 HA LYS 92 HA LYS 92 16.092 -10.661 -1.660 632 HB2 LYS 92 HB2 LYS 92 18.511 -12.383 -1.331 633 HB3 LYS 92 HB3 LYS 92 16.958 -12.999 -0.782 634 HG2 LYS 92 HG2 LYS 92 16.047 -12.937 -2.945 635 HG3 LYS 92 HG3 LYS 92 17.354 -11.918 -3.553 636 HD2 LYS 92 HD2 LYS 92 18.243 -14.467 -2.412 637 HD3 LYS 92 HD3 LYS 92 17.214 -14.631 -3.837 638 HE2 LYS 92 HE2 LYS 92 18.744 -13.670 -5.219 639 HE3 LYS 92 HE3 LYS 92 19.378 -12.611 -3.960 640 HZ1 LYS 92 HZ1 LYS 92 20.598 -14.424 -3.029 641 HZ2 LYS 92 HZ2 LYS 92 20.949 -14.356 -4.681 642 HZ3 LYS 92 HZ3 LYS 92 19.887 -15.533 -4.091 643 H PHE 93 H PHE 93 14.890 -10.050 0.011 644 HA PHE 93 HA PHE 93 14.192 -9.613 2.135 645 HB2 PHE 93 HB2 PHE 93 15.596 -12.231 2.294 646 HB3 PHE 93 HB3 PHE 93 15.174 -11.449 3.813 647 HD1 PHE 93 HD1 PHE 93 13.659 -12.375 0.538 648 HD2 PHE 93 HD2 PHE 93 13.096 -11.836 4.722 649 HE1 PHE 93 HE1 PHE 93 11.364 -13.238 0.337 650 HE2 PHE 93 HE2 PHE 93 10.801 -12.699 4.528 651 HZ PHE 93 HZ PHE 93 9.932 -13.402 2.334 Start of MODEL 18 1 H1 ALA 1 H ALA 1 1.919 -0.985 0.788 2 HA ALA 1 HA ALA 1 2.517 -0.682 -1.398 3 HB1 ALA 1 HB1 ALA 1 0.775 0.529 -2.750 4 HB2 ALA 1 HB2 ALA 1 0.173 -0.791 -1.746 5 HB3 ALA 1 HB3 ALA 1 -0.049 0.881 -1.231 6 H ILE 2 H ILE 2 4.458 0.450 -1.101 7 HA ILE 2 HA ILE 2 4.524 3.299 -0.838 8 HB ILE 2 HB ILE 2 6.715 1.352 -1.565 9 HG12 ILE 2 HG12 ILE 2 7.381 2.131 0.873 10 HG13 ILE 2 HG13 ILE 2 5.657 2.461 1.002 11 HG21 ILE 2 HG21 ILE 2 6.694 4.307 -1.191 12 HG22 ILE 2 HG22 ILE 2 8.102 3.388 -0.662 13 HG23 ILE 2 HG23 ILE 2 7.590 3.322 -2.348 14 HD11 ILE 2 HD11 ILE 2 6.577 -0.196 0.017 15 HD12 ILE 2 HD12 ILE 2 6.606 0.165 1.743 16 HD13 ILE 2 HD13 ILE 2 5.087 0.242 0.852 17 H SER 3 H SER 3 4.103 4.686 -2.412 18 HA SER 3 HA SER 3 4.353 3.832 -5.197 19 HB2 SER 3 HB2 SER 3 2.273 4.830 -4.947 20 HB3 SER 3 HB3 SER 3 2.868 6.022 -3.792 21 HG SER 3 HG SER 3 3.003 6.022 -6.589 22 H CYS 4 H CYS 4 4.847 7.020 -3.709 23 HA CYS 4 HA CYS 4 7.617 7.173 -4.142 24 HB2 CYS 4 HB2 CYS 4 6.265 7.300 -6.537 25 HB3 CYS 4 HB3 CYS 4 6.474 9.000 -6.128 26 H GLY 5 H GLY 5 4.577 8.989 -4.150 27 HA2 GLY 5 HA2 GLY 5 5.520 11.481 -3.367 28 HA3 GLY 5 HA3 GLY 5 3.930 10.848 -2.969 29 H ALA 6 H ALA 6 4.897 8.624 -1.408 30 HA ALA 6 HA ALA 6 5.246 9.994 1.089 31 HB1 ALA 6 HB1 ALA 6 4.860 7.159 0.259 32 HB2 ALA 6 HB2 ALA 6 5.469 7.504 1.878 33 HB3 ALA 6 HB3 ALA 6 3.910 8.150 1.367 34 H VAL 7 H VAL 7 7.309 8.384 -1.190 35 HA VAL 7 HA VAL 7 9.503 7.963 0.599 36 HB VAL 7 HB VAL 7 9.514 8.071 -2.420 37 HG11 VAL 7 HG11 VAL 7 11.708 7.763 -2.309 38 HG12 VAL 7 HG12 VAL 7 11.632 7.915 -0.553 39 HG13 VAL 7 HG13 VAL 7 11.475 6.330 -1.310 40 HG21 VAL 7 HG21 VAL 7 7.965 6.384 -1.384 41 HG22 VAL 7 HG22 VAL 7 9.225 5.710 -2.417 42 HG23 VAL 7 HG23 VAL 7 9.386 5.629 -0.662 43 H THR 8 H THR 8 8.529 10.503 -1.624 44 HA THR 8 HA THR 8 10.986 11.956 -1.473 45 HB THR 8 HB THR 8 8.364 13.227 -2.197 46 HG1 THR 8 HG1 THR 8 9.930 11.565 -3.905 47 HG21 THR 8 HG21 THR 8 9.688 14.868 -2.913 48 HG22 THR 8 HG22 THR 8 10.529 13.746 -3.984 49 HG23 THR 8 HG23 THR 8 11.091 13.974 -2.328 50 H SER 9 H SER 9 8.144 11.759 0.475 51 HA SER 9 HA SER 9 8.184 14.271 1.715 52 HB2 SER 9 HB2 SER 9 6.610 13.416 3.168 53 HB3 SER 9 HB3 SER 9 6.488 12.237 1.862 54 HG SER 9 HG SER 9 6.909 11.650 4.300 55 H ASP 10 H ASP 10 9.749 11.221 2.648 56 HA ASP 10 HA ASP 10 11.059 12.403 4.916 57 HB2 ASP 10 HB2 ASP 10 11.869 9.799 3.650 58 HB3 ASP 10 HB3 ASP 10 11.938 10.270 5.346 59 H LEU 11 H LEU 11 11.746 12.048 1.561 60 HA LEU 11 HA LEU 11 14.579 12.214 1.702 61 HB2 LEU 11 HB2 LEU 11 12.558 12.664 -0.462 62 HB3 LEU 11 HB3 LEU 11 14.261 13.033 -0.727 63 HG LEU 11 HG LEU 11 13.357 10.310 0.165 64 HD11 LEU 11 HD11 LEU 11 12.178 10.347 -1.789 65 HD12 LEU 11 HD12 LEU 11 13.759 9.863 -2.401 66 HD13 LEU 11 HD13 LEU 11 13.236 11.542 -2.538 67 HD21 LEU 11 HD21 LEU 11 15.635 10.389 0.416 68 HD22 LEU 11 HD22 LEU 11 15.852 11.541 -0.902 69 HD23 LEU 11 HD23 LEU 11 15.513 9.847 -1.258 70 H SER 12 H SER 12 11.993 14.580 1.542 71 HA SER 12 HA SER 12 13.400 16.861 0.854 72 HB2 SER 12 HB2 SER 12 11.158 17.316 0.988 73 HB3 SER 12 HB3 SER 12 10.932 16.317 2.424 74 HG SER 12 HG SER 12 11.501 18.987 2.218 75 HA PRO 13 HA PRO 13 14.384 17.613 5.526 76 HB2 PRO 13 HB2 PRO 13 13.920 15.560 7.240 77 HB3 PRO 13 HB3 PRO 13 12.704 16.783 6.855 78 HG2 PRO 13 HG2 PRO 13 13.021 14.017 5.756 79 HG3 PRO 13 HG3 PRO 13 11.544 14.858 6.260 80 HD2 PRO 13 HD2 PRO 13 12.277 14.632 3.663 81 HD3 PRO 13 HD3 PRO 13 11.391 16.039 4.287 82 H CYS 14 H CYS 14 14.914 14.493 4.059 83 HA CYS 14 HA CYS 14 17.374 14.000 5.497 84 HB2 CYS 14 HB2 CYS 14 15.888 12.566 3.311 85 HB3 CYS 14 HB3 CYS 14 17.530 12.102 3.741 86 H LEU 15 H LEU 15 16.433 15.761 2.761 87 HA LEU 15 HA LEU 15 18.711 15.467 1.121 88 HB2 LEU 15 HB2 LEU 15 16.474 17.394 1.352 89 HB3 LEU 15 HB3 LEU 15 17.911 17.937 0.490 90 HG LEU 15 HG LEU 15 16.211 15.543 -0.207 91 HD11 LEU 15 HD11 LEU 15 15.217 17.772 -0.684 92 HD12 LEU 15 HD12 LEU 15 15.525 16.802 -2.124 93 HD13 LEU 15 HD13 LEU 15 16.611 18.127 -1.704 94 HD21 LEU 15 HD21 LEU 15 18.391 14.965 -0.843 95 HD22 LEU 15 HD22 LEU 15 18.777 16.611 -1.346 96 HD23 LEU 15 HD23 LEU 15 17.664 15.633 -2.305 97 H THR 16 H THR 16 17.876 17.881 3.592 98 HA THR 16 HA THR 16 20.054 19.553 3.399 99 HB THR 16 HB THR 16 18.800 18.692 6.011 100 HG1 THR 16 HG1 THR 16 17.413 20.550 5.566 101 HG21 THR 16 HG21 THR 16 19.785 21.444 5.397 102 HG22 THR 16 HG22 THR 16 20.948 20.192 5.834 103 HG23 THR 16 HG23 THR 16 19.650 20.619 6.949 104 H TYR 17 H TYR 17 19.826 16.429 5.019 105 HA TYR 17 HA TYR 17 22.530 16.613 6.039 106 HB2 TYR 17 HB2 TYR 17 20.640 15.469 7.264 107 HB3 TYR 17 HB3 TYR 17 20.714 14.199 6.048 108 HD1 TYR 17 HD1 TYR 17 23.520 16.030 7.669 109 HD2 TYR 17 HD2 TYR 17 21.464 12.331 7.231 110 HE1 TYR 17 HE1 TYR 17 25.285 14.904 8.959 111 HE2 TYR 17 HE2 TYR 17 23.223 11.194 8.521 112 HH TYR 17 HH TYR 17 25.530 12.847 10.338 113 H LEU 18 H LEU 18 20.806 15.040 3.421 114 HA LEU 18 HA LEU 18 22.966 13.352 2.626 115 HB2 LEU 18 HB2 LEU 18 20.339 14.150 1.480 116 HB3 LEU 18 HB3 LEU 18 21.534 13.424 0.407 117 HG LEU 18 HG LEU 18 20.398 12.152 2.897 118 HD11 LEU 18 HD11 LEU 18 19.969 11.317 0.044 119 HD12 LEU 18 HD12 LEU 18 18.872 12.408 0.889 120 HD13 LEU 18 HD13 LEU 18 19.119 10.769 1.489 121 HD21 LEU 18 HD21 LEU 18 22.123 10.762 2.814 122 HD22 LEU 18 HD22 LEU 18 22.782 11.624 1.423 123 HD23 LEU 18 HD23 LEU 18 21.650 10.292 1.181 124 H THR 19 H THR 19 22.510 16.650 2.425 125 HA THR 19 HA THR 19 23.996 16.962 -0.073 126 HB THR 19 HB THR 19 23.670 19.480 0.574 127 HG1 THR 19 HG1 THR 19 21.692 19.698 1.818 128 HG21 THR 19 HG21 THR 19 21.024 18.447 -0.070 129 HG22 THR 19 HG22 THR 19 22.299 17.702 -1.032 130 HG23 THR 19 HG23 THR 19 22.107 19.454 -1.029 131 H GLY 20 H GLY 20 24.558 16.780 3.261 132 HA2 GLY 20 HA2 GLY 20 26.893 16.601 3.947 133 HA3 GLY 20 HA3 GLY 20 27.242 17.949 2.875 134 H GLY 21 H GLY 21 24.325 18.391 4.501 135 HA2 GLY 21 HA2 GLY 21 25.543 20.449 6.164 136 HA3 GLY 21 HA3 GLY 21 23.824 20.221 5.877 137 HA PRO 22 HA PRO 22 24.765 18.795 10.183 138 HB2 PRO 22 HB2 PRO 22 22.641 20.055 11.312 139 HB3 PRO 22 HB3 PRO 22 24.202 20.844 11.057 140 HG2 PRO 22 HG2 PRO 22 21.706 21.007 9.413 141 HG3 PRO 22 HG3 PRO 22 22.814 22.304 9.895 142 HD2 PRO 22 HD2 PRO 22 22.874 21.176 7.434 143 HD3 PRO 22 HD3 PRO 22 24.332 21.795 8.236 144 H GLY 23 H GLY 23 23.910 16.988 11.066 145 HA2 GLY 23 HA2 GLY 23 21.337 16.172 11.331 146 HA3 GLY 23 HA3 GLY 23 21.730 15.695 9.686 147 HA PRO 24 HA PRO 24 20.780 13.910 9.448 148 HB2 PRO 24 HB2 PRO 24 19.445 11.765 10.440 149 HB3 PRO 24 HB3 PRO 24 20.795 11.617 9.307 150 HG2 PRO 24 HG2 PRO 24 20.777 11.304 12.284 151 HG3 PRO 24 HG3 PRO 24 21.592 10.313 11.060 152 HD2 PRO 24 HD2 PRO 24 22.891 12.193 12.512 153 HD3 PRO 24 HD3 PRO 24 23.342 11.797 10.842 154 H SER 25 H SER 25 18.934 15.027 9.689 155 HA SER 25 HA SER 25 18.236 16.180 12.162 156 HB2 SER 25 HB2 SER 25 16.008 16.621 10.732 157 HB3 SER 25 HB3 SER 25 17.499 17.523 10.462 158 HG SER 25 HG SER 25 16.193 15.895 8.782 159 HA PRO 26 HA PRO 26 15.430 13.388 14.050 160 HB2 PRO 26 HB2 PRO 26 13.407 14.998 14.879 161 HB3 PRO 26 HB3 PRO 26 15.006 15.001 15.631 162 HG2 PRO 26 HG2 PRO 26 13.866 16.880 13.599 163 HG3 PRO 26 HG3 PRO 26 14.832 17.243 15.041 164 HD2 PRO 26 HD2 PRO 26 15.897 17.175 12.552 165 HD3 PRO 26 HD3 PRO 26 16.818 16.711 13.998 166 H GLN 27 H GLN 27 13.716 15.700 11.948 167 HA GLN 27 HA GLN 27 11.437 14.095 11.537 168 HB2 GLN 27 HB2 GLN 27 12.640 16.392 10.012 169 HB3 GLN 27 HB3 GLN 27 11.192 15.572 9.442 170 HG2 GLN 27 HG2 GLN 27 9.892 16.391 11.125 171 HG3 GLN 27 HG3 GLN 27 11.243 16.533 12.249 172 HE21 GLN 27 HE21 GLN 27 9.130 18.441 11.379 173 HE22 GLN 27 HE22 GLN 27 9.987 19.849 10.860 174 H CYS 28 H CYS 28 14.540 14.272 9.915 175 HA CYS 28 HA CYS 28 13.854 12.764 7.626 176 HB2 CYS 28 HB2 CYS 28 15.851 14.022 7.498 177 HB3 CYS 28 HB3 CYS 28 16.468 13.350 9.003 178 H CYS 29 H CYS 29 15.466 11.812 10.657 179 HA CYS 29 HA CYS 29 15.823 9.125 10.148 180 HB2 CYS 29 HB2 CYS 29 15.283 10.636 12.692 181 HB3 CYS 29 HB3 CYS 29 15.494 8.889 12.705 182 H GLY 30 H GLY 30 12.978 10.694 11.606 183 HA2 GLY 30 HA2 GLY 30 11.439 8.422 12.055 184 HA3 GLY 30 HA3 GLY 30 10.787 10.022 11.732 185 H GLY 31 H GLY 31 11.608 10.437 9.128 186 HA2 GLY 31 HA2 GLY 31 9.642 8.982 7.695 187 HA3 GLY 31 HA3 GLY 31 10.835 10.067 6.996 188 H VAL 32 H VAL 32 13.174 8.742 7.807 189 HA VAL 32 HA VAL 32 13.572 6.944 5.734 190 HB VAL 32 HB VAL 32 15.084 7.033 8.348 191 HG11 VAL 32 HG11 VAL 32 16.958 6.258 6.745 192 HG12 VAL 32 HG12 VAL 32 15.780 5.073 7.314 193 HG13 VAL 32 HG13 VAL 32 15.632 5.759 5.695 194 HG21 VAL 32 HG21 VAL 32 15.786 9.045 7.721 195 HG22 VAL 32 HG22 VAL 32 16.518 8.308 6.295 196 HG23 VAL 32 HG23 VAL 32 14.873 8.938 6.216 197 H LYS 33 H LYS 33 13.260 6.141 9.199 198 HA LYS 33 HA LYS 33 13.171 3.370 8.887 199 HB2 LYS 33 HB2 LYS 33 12.221 5.254 11.012 200 HB3 LYS 33 HB3 LYS 33 11.808 3.548 11.121 201 HG2 LYS 33 HG2 LYS 33 14.131 2.933 11.160 202 HG3 LYS 33 HG3 LYS 33 14.616 4.606 10.875 203 HD2 LYS 33 HD2 LYS 33 14.211 5.231 13.023 204 HD3 LYS 33 HD3 LYS 33 12.869 4.100 13.212 205 HE2 LYS 33 HE2 LYS 33 15.132 2.503 12.870 206 HE3 LYS 33 HE3 LYS 33 15.647 3.804 13.942 207 HZ1 LYS 33 HZ1 LYS 33 14.754 1.917 15.170 208 HZ2 LYS 33 HZ2 LYS 33 13.274 2.069 14.366 209 HZ3 LYS 33 HZ3 LYS 33 13.803 3.296 15.404 210 H LYS 34 H LYS 34 10.763 5.773 8.312 211 HA LYS 34 HA LYS 34 8.483 4.069 8.491 212 HB2 LYS 34 HB2 LYS 34 8.708 6.707 8.475 213 HB3 LYS 34 HB3 LYS 34 8.489 6.491 6.744 214 HG2 LYS 34 HG2 LYS 34 6.526 4.935 8.074 215 HG3 LYS 34 HG3 LYS 34 6.526 6.552 8.784 216 HD2 LYS 34 HD2 LYS 34 6.194 7.563 6.638 217 HD3 LYS 34 HD3 LYS 34 6.425 6.018 5.818 218 HE2 LYS 34 HE2 LYS 34 4.411 5.174 7.054 219 HE3 LYS 34 HE3 LYS 34 4.143 6.824 7.612 220 HZ1 LYS 34 HZ1 LYS 34 3.257 5.715 5.258 221 HZ2 LYS 34 HZ2 LYS 34 4.517 6.745 4.797 222 HZ3 LYS 34 HZ3 LYS 34 3.212 7.351 5.686 223 H LEU 35 H LEU 35 10.584 5.129 5.854 224 HA LEU 35 HA LEU 35 9.091 3.968 3.755 225 HB2 LEU 35 HB2 LEU 35 10.900 5.708 3.557 226 HB3 LEU 35 HB3 LEU 35 12.069 4.412 3.802 227 HG LEU 35 HG LEU 35 10.080 4.285 1.561 228 HD11 LEU 35 HD11 LEU 35 12.560 5.936 1.744 229 HD12 LEU 35 HD12 LEU 35 11.008 6.315 0.997 230 HD13 LEU 35 HD13 LEU 35 12.114 5.190 0.209 231 HD21 LEU 35 HD21 LEU 35 11.135 2.255 1.689 232 HD22 LEU 35 HD22 LEU 35 12.632 2.946 2.317 233 HD23 LEU 35 HD23 LEU 35 12.230 3.116 0.607 234 H LEU 36 H LEU 36 11.725 2.762 5.776 235 HA LEU 36 HA LEU 36 11.952 0.276 4.368 236 HB2 LEU 36 HB2 LEU 36 13.072 1.380 6.911 237 HB3 LEU 36 HB3 LEU 36 13.234 -0.336 6.543 238 HG LEU 36 HG LEU 36 14.106 1.506 4.413 239 HD11 LEU 36 HD11 LEU 36 16.049 1.151 6.622 240 HD12 LEU 36 HD12 LEU 36 14.812 2.392 6.814 241 HD13 LEU 36 HD13 LEU 36 15.905 2.445 5.431 242 HD21 LEU 36 HD21 LEU 36 15.746 -0.674 5.602 243 HD22 LEU 36 HD22 LEU 36 15.568 -0.181 3.918 244 HD23 LEU 36 HD23 LEU 36 14.290 -1.107 4.705 245 H ALA 37 H ALA 37 10.301 1.400 7.265 246 HA ALA 37 HA ALA 37 9.442 -1.203 8.090 247 HB1 ALA 37 HB1 ALA 37 8.567 1.563 8.899 248 HB2 ALA 37 HB2 ALA 37 7.942 0.083 9.627 249 HB3 ALA 37 HB3 ALA 37 9.654 0.479 9.767 250 H ALA 38 H ALA 38 8.278 1.183 5.880 251 HA ALA 38 HA ALA 38 5.567 0.210 5.814 252 HB1 ALA 38 HB1 ALA 38 7.064 2.134 4.042 253 HB2 ALA 38 HB2 ALA 38 5.355 1.737 3.852 254 HB3 ALA 38 HB3 ALA 38 5.919 2.525 5.326 255 H ALA 39 H ALA 39 8.506 -0.806 4.500 256 HA ALA 39 HA ALA 39 7.089 -2.447 2.503 257 HB1 ALA 39 HB1 ALA 39 9.745 -1.064 2.281 258 HB2 ALA 39 HB2 ALA 39 9.311 -2.428 1.251 259 HB3 ALA 39 HB3 ALA 39 8.349 -0.951 1.209 260 H ASN 40 H ASN 40 6.873 -4.139 4.021 261 HA ASN 40 HA ASN 40 9.226 -5.268 5.258 262 HB2 ASN 40 HB2 ASN 40 6.513 -6.571 5.156 263 HB3 ASN 40 HB3 ASN 40 7.762 -6.733 6.387 264 HD21 ASN 40 HD21 ASN 40 8.270 -4.747 7.617 265 HD22 ASN 40 HD22 ASN 40 6.964 -3.689 8.017 266 H THR 41 H THR 41 7.151 -5.941 2.515 267 HA THR 41 HA THR 41 8.468 -8.471 1.964 268 HB THR 41 HB THR 41 6.929 -8.725 0.134 269 HG1 THR 41 HG1 THR 41 6.147 -6.032 0.660 270 HG21 THR 41 HG21 THR 41 5.262 -9.260 1.518 271 HG22 THR 41 HG22 THR 41 4.917 -7.563 1.849 272 HG23 THR 41 HG23 THR 41 6.138 -8.414 2.794 273 H THR 42 H THR 42 8.712 -8.610 -0.694 274 HA THR 42 HA THR 42 11.029 -6.960 -1.194 275 HB THR 42 HB THR 42 9.824 -9.362 -2.459 276 HG1 THR 42 HG1 THR 42 12.425 -8.485 -1.715 277 HG21 THR 42 HG21 THR 42 11.429 -9.023 -4.413 278 HG22 THR 42 HG22 THR 42 11.457 -7.321 -3.950 279 HG23 THR 42 HG23 THR 42 9.940 -8.080 -4.434 280 HA PRO 43 HA PRO 43 8.005 -5.841 -5.002 281 HB2 PRO 43 HB2 PRO 43 5.561 -5.932 -3.293 282 HB3 PRO 43 HB3 PRO 43 5.748 -6.307 -5.010 283 HG2 PRO 43 HG2 PRO 43 5.519 -8.246 -3.174 284 HG3 PRO 43 HG3 PRO 43 6.562 -8.429 -4.597 285 HD2 PRO 43 HD2 PRO 43 7.282 -7.975 -1.768 286 HD3 PRO 43 HD3 PRO 43 8.181 -8.806 -3.053 287 H ASP 44 H ASP 44 6.947 -4.990 -1.701 288 HA ASP 44 HA ASP 44 6.433 -2.276 -2.271 289 HB2 ASP 44 HB2 ASP 44 6.760 -3.906 0.202 290 HB3 ASP 44 HB3 ASP 44 6.864 -2.154 0.355 291 H ARG 45 H ARG 45 9.263 -3.904 -0.878 292 HA ARG 45 HA ARG 45 10.784 -1.587 -0.407 293 HB2 ARG 45 HB2 ARG 45 11.404 -4.495 -0.700 294 HB3 ARG 45 HB3 ARG 45 12.733 -3.343 -0.707 295 HG2 ARG 45 HG2 ARG 45 11.800 -2.454 1.469 296 HG3 ARG 45 HG3 ARG 45 10.752 -3.873 1.485 297 HD2 ARG 45 HD2 ARG 45 12.490 -5.323 1.843 298 HD3 ARG 45 HD3 ARG 45 13.668 -4.272 1.058 299 HE ARG 45 HE ARG 45 12.860 -2.951 3.342 300 HH11 ARG 45 HH11 ARG 45 14.403 -5.971 2.555 301 HH12 ARG 45 HH12 ARG 45 15.304 -6.046 4.033 302 HH21 ARG 45 HH21 ARG 45 14.041 -3.038 5.291 303 HH22 ARG 45 HH22 ARG 45 15.097 -4.377 5.589 304 H GLN 46 H GLN 46 10.183 -3.438 -3.286 305 HA GLN 46 HA GLN 46 12.383 -2.509 -4.813 306 HB2 GLN 46 HB2 GLN 46 9.822 -3.906 -5.380 307 HB3 GLN 46 HB3 GLN 46 10.610 -3.097 -6.728 308 HG2 GLN 46 HG2 GLN 46 12.553 -4.602 -5.280 309 HG3 GLN 46 HG3 GLN 46 11.170 -5.633 -5.644 310 HE21 GLN 46 HE21 GLN 46 12.687 -2.966 -7.418 311 HE22 GLN 46 HE22 GLN 46 13.001 -3.872 -8.855 312 H ALA 47 H ALA 47 8.972 -1.497 -4.700 313 HA ALA 47 HA ALA 47 9.098 0.562 -6.560 314 HB1 ALA 47 HB1 ALA 47 6.940 0.159 -5.983 315 HB2 ALA 47 HB2 ALA 47 7.323 -0.093 -4.280 316 HB3 ALA 47 HB3 ALA 47 7.235 1.543 -4.931 317 H ALA 48 H ALA 48 9.429 0.812 -3.016 318 HA ALA 48 HA ALA 48 10.005 3.539 -2.908 319 HB1 ALA 48 HB1 ALA 48 10.614 3.208 -0.685 320 HB2 ALA 48 HB2 ALA 48 9.485 1.891 -1.003 321 HB3 ALA 48 HB3 ALA 48 11.221 1.581 -0.993 322 H CYS 49 H CYS 49 12.285 0.795 -2.886 323 HA CYS 49 HA CYS 49 14.665 2.149 -2.820 324 HB2 CYS 49 HB2 CYS 49 13.798 -0.443 -3.994 325 HB3 CYS 49 HB3 CYS 49 15.379 0.168 -4.469 326 H ASN 50 H ASN 50 12.571 1.599 -5.603 327 HA ASN 50 HA ASN 50 14.334 2.589 -7.571 328 HB2 ASN 50 HB2 ASN 50 11.307 2.530 -7.571 329 HB3 ASN 50 HB3 ASN 50 12.325 2.782 -8.986 330 HD21 ASN 50 HD21 ASN 50 10.368 0.692 -8.415 331 HD22 ASN 50 HD22 ASN 50 11.218 -0.805 -8.552 332 H CYS 51 H CYS 51 11.841 4.142 -5.601 333 HA CYS 51 HA CYS 51 12.095 6.696 -6.848 334 HB2 CYS 51 HB2 CYS 51 10.835 5.776 -4.266 335 HB3 CYS 51 HB3 CYS 51 10.844 7.466 -4.760 336 H LEU 52 H LEU 52 13.581 5.126 -4.087 337 HA LEU 52 HA LEU 52 14.826 7.487 -3.065 338 HB2 LEU 52 HB2 LEU 52 14.943 4.579 -2.503 339 HB3 LEU 52 HB3 LEU 52 16.316 5.557 -1.990 340 HG LEU 52 HG LEU 52 13.452 6.021 -1.160 341 HD11 LEU 52 HD11 LEU 52 15.746 4.649 0.220 342 HD12 LEU 52 HD12 LEU 52 14.151 3.996 -0.152 343 HD13 LEU 52 HD13 LEU 52 14.325 5.253 1.072 344 HD21 LEU 52 HD21 LEU 52 15.574 7.171 0.457 345 HD22 LEU 52 HD22 LEU 52 14.117 7.919 -0.198 346 HD23 LEU 52 HD23 LEU 52 15.568 7.793 -1.194 347 H LYS 53 H LYS 53 16.150 4.606 -4.702 348 HA LYS 53 HA LYS 53 18.749 5.456 -5.028 349 HB2 LYS 53 HB2 LYS 53 17.467 3.232 -5.725 350 HB3 LYS 53 HB3 LYS 53 17.472 4.011 -7.301 351 HG2 LYS 53 HG2 LYS 53 19.490 3.144 -7.600 352 HG3 LYS 53 HG3 LYS 53 20.075 4.299 -6.400 353 HD2 LYS 53 HD2 LYS 53 19.036 1.534 -5.780 354 HD3 LYS 53 HD3 LYS 53 20.742 1.970 -5.902 355 HE2 LYS 53 HE2 LYS 53 20.759 2.761 -3.822 356 HE3 LYS 53 HE3 LYS 53 19.346 3.769 -4.134 357 HZ1 LYS 53 HZ1 LYS 53 17.977 2.285 -3.191 358 HZ2 LYS 53 HZ2 LYS 53 19.373 1.714 -2.427 359 HZ3 LYS 53 HZ3 LYS 53 18.796 0.944 -3.818 360 H SER 54 H SER 54 15.939 6.170 -7.048 361 HA SER 54 HA SER 54 17.434 7.608 -9.017 362 HB2 SER 54 HB2 SER 54 14.487 7.361 -8.423 363 HB3 SER 54 HB3 SER 54 15.099 8.411 -9.701 364 HG SER 54 HG SER 54 14.500 6.159 -10.273 365 H ALA 55 H ALA 55 15.869 8.404 -6.015 366 HA ALA 55 HA ALA 55 15.748 11.223 -6.423 367 HB1 ALA 55 HB1 ALA 55 15.401 9.399 -4.094 368 HB2 ALA 55 HB2 ALA 55 15.629 11.124 -3.802 369 HB3 ALA 55 HB3 ALA 55 14.279 10.569 -4.791 370 H ALA 56 H ALA 56 17.916 9.180 -4.459 371 HA ALA 56 HA ALA 56 19.666 11.274 -3.736 372 HB1 ALA 56 HB1 ALA 56 20.274 8.324 -3.879 373 HB2 ALA 56 HB2 ALA 56 21.155 9.540 -2.953 374 HB3 ALA 56 HB3 ALA 56 19.494 9.133 -2.520 375 H GLY 57 H GLY 57 19.342 9.411 -6.615 376 HA2 GLY 57 HA2 GLY 57 21.988 9.581 -7.593 377 HA3 GLY 57 HA3 GLY 57 20.546 9.342 -8.569 378 H SER 58 H SER 58 19.648 11.995 -7.149 379 HA SER 58 HA SER 58 20.901 13.725 -9.169 380 HB2 SER 58 HB2 SER 58 18.363 14.315 -7.645 381 HB3 SER 58 HB3 SER 58 18.936 15.068 -9.133 382 HG SER 58 HG SER 58 18.474 12.303 -9.090 383 H ILE 59 H ILE 59 21.911 12.994 -6.426 384 HA ILE 59 HA ILE 59 21.816 15.556 -5.037 385 HB ILE 59 HB ILE 59 23.183 12.976 -4.263 386 HG12 ILE 59 HG12 ILE 59 20.697 12.878 -4.308 387 HG13 ILE 59 HG13 ILE 59 21.362 12.684 -2.690 388 HG21 ILE 59 HG21 ILE 59 23.353 14.039 -2.025 389 HG22 ILE 59 HG22 ILE 59 24.326 14.834 -3.262 390 HG23 ILE 59 HG23 ILE 59 22.800 15.551 -2.746 391 HD11 ILE 59 HD11 ILE 59 19.364 14.122 -2.768 392 HD12 ILE 59 HD12 ILE 59 20.788 14.949 -2.135 393 HD13 ILE 59 HD13 ILE 59 20.251 15.255 -3.787 394 H THR 60 H THR 60 23.167 17.080 -5.715 395 HA THR 60 HA THR 60 25.437 16.697 -7.292 396 HB THR 60 HB THR 60 24.468 18.866 -7.271 397 HG1 THR 60 HG1 THR 60 26.843 19.249 -5.769 398 HG21 THR 60 HG21 THR 60 23.494 19.636 -5.420 399 HG22 THR 60 HG22 THR 60 25.096 19.978 -4.766 400 HG23 THR 60 HG23 THR 60 24.320 18.429 -4.435 401 H LYS 61 H LYS 61 27.384 15.926 -6.838 402 HA LYS 61 HA LYS 61 29.209 15.189 -5.695 403 HB2 LYS 61 HB2 LYS 61 28.481 17.690 -4.204 404 HB3 LYS 61 HB3 LYS 61 29.814 16.685 -3.650 405 HG2 LYS 61 HG2 LYS 61 30.620 16.885 -6.121 406 HG3 LYS 61 HG3 LYS 61 29.567 18.302 -6.141 407 HD2 LYS 61 HD2 LYS 61 30.781 19.041 -4.031 408 HD3 LYS 61 HD3 LYS 61 31.960 17.779 -4.394 409 HE2 LYS 61 HE2 LYS 61 31.377 19.418 -6.712 410 HE3 LYS 61 HE3 LYS 61 31.957 20.384 -5.357 411 HZ1 LYS 61 HZ1 LYS 61 33.882 19.752 -6.448 412 HZ2 LYS 61 HZ2 LYS 61 33.325 18.189 -6.776 413 HZ3 LYS 61 HZ3 LYS 61 33.780 18.612 -5.202 414 H LEU 62 H LEU 62 26.935 13.758 -5.149 415 HA LEU 62 HA LEU 62 26.119 13.464 -2.534 416 HB2 LEU 62 HB2 LEU 62 25.050 12.259 -4.304 417 HB3 LEU 62 HB3 LEU 62 26.532 11.378 -4.667 418 HG LEU 62 HG LEU 62 26.185 10.567 -2.149 419 HD11 LEU 62 HD11 LEU 62 24.126 10.749 -1.306 420 HD12 LEU 62 HD12 LEU 62 23.362 10.383 -2.852 421 HD13 LEU 62 HD13 LEU 62 23.891 12.027 -2.499 422 HD21 LEU 62 HD21 LEU 62 24.493 8.866 -3.551 423 HD22 LEU 62 HD22 LEU 62 26.242 8.716 -3.379 424 HD23 LEU 62 HD23 LEU 62 25.561 9.546 -4.779 425 H ASN 63 H ASN 63 26.870 12.449 -0.729 426 HA ASN 63 HA ASN 63 29.656 11.509 -0.837 427 HB2 ASN 63 HB2 ASN 63 28.811 13.534 0.648 428 HB3 ASN 63 HB3 ASN 63 28.339 12.237 1.743 429 HD21 ASN 63 HD21 ASN 63 30.616 14.397 1.355 430 HD22 ASN 63 HD22 ASN 63 32.009 13.536 1.906 431 H THR 64 H THR 64 29.604 9.352 -1.068 432 HA THR 64 HA THR 64 27.621 7.596 -0.270 433 HB THR 64 HB THR 64 29.467 5.838 -0.270 434 HG1 THR 64 HG1 THR 64 31.226 7.168 0.246 435 HG21 THR 64 HG21 THR 64 29.964 6.975 -2.832 436 HG22 THR 64 HG22 THR 64 28.294 7.325 -2.387 437 HG23 THR 64 HG23 THR 64 28.871 5.659 -2.407 438 H ASN 65 H ASN 65 30.321 8.890 1.563 439 HA ASN 65 HA ASN 65 30.113 7.126 3.772 440 HB2 ASN 65 HB2 ASN 65 31.340 9.861 3.436 441 HB3 ASN 65 HB3 ASN 65 31.384 8.995 4.969 442 HD21 ASN 65 HD21 ASN 65 32.106 6.612 4.647 443 HD22 ASN 65 HD22 ASN 65 33.533 6.412 3.695 444 H ASN 66 H ASN 66 28.790 10.350 3.120 445 HA ASN 66 HA ASN 66 27.522 10.632 5.646 446 HB2 ASN 66 HB2 ASN 66 26.833 12.002 3.037 447 HB3 ASN 66 HB3 ASN 66 26.380 12.540 4.652 448 HD21 ASN 66 HD21 ASN 66 27.624 14.310 3.124 449 HD22 ASN 66 HD22 ASN 66 29.260 14.545 3.629 450 H ALA 67 H ALA 67 26.467 9.435 2.500 451 HA ALA 67 HA ALA 67 23.730 9.202 3.033 452 HB1 ALA 67 HB1 ALA 67 25.072 7.167 1.326 453 HB2 ALA 67 HB2 ALA 67 23.575 8.061 1.055 454 HB3 ALA 67 HB3 ALA 67 25.132 8.860 0.834 455 H ALA 68 H ALA 68 26.413 7.000 3.679 456 HA ALA 68 HA ALA 68 24.731 4.883 4.637 457 HB1 ALA 68 HB1 ALA 68 27.078 4.135 5.585 458 HB2 ALA 68 HB2 ALA 68 26.696 4.010 3.868 459 HB3 ALA 68 HB3 ALA 68 27.660 5.362 4.461 460 H ALA 69 H ALA 69 26.286 7.662 6.025 461 HA ALA 69 HA ALA 69 26.169 6.788 8.743 462 HB1 ALA 69 HB1 ALA 69 27.770 8.473 8.075 463 HB2 ALA 69 HB2 ALA 69 26.467 9.555 7.582 464 HB3 ALA 69 HB3 ALA 69 26.671 9.139 9.283 465 H LEU 70 H LEU 70 23.934 8.257 6.549 466 HA LEU 70 HA LEU 70 22.190 9.522 8.324 467 HB2 LEU 70 HB2 LEU 70 21.707 10.017 6.147 468 HB3 LEU 70 HB3 LEU 70 21.961 8.361 5.601 469 HG LEU 70 HG LEU 70 19.787 7.718 6.492 470 HD11 LEU 70 HD11 LEU 70 19.833 9.428 8.345 471 HD12 LEU 70 HD12 LEU 70 18.290 9.236 7.512 472 HD13 LEU 70 HD13 LEU 70 19.324 10.617 7.145 473 HD21 LEU 70 HD21 LEU 70 19.694 8.360 4.241 474 HD22 LEU 70 HD22 LEU 70 19.895 10.069 4.627 475 HD23 LEU 70 HD23 LEU 70 18.380 9.250 5.010 476 HA PRO 71 HA PRO 71 19.717 5.375 8.570 477 HB2 PRO 71 HB2 PRO 71 20.935 3.148 7.607 478 HB3 PRO 71 HB3 PRO 71 19.913 4.191 6.611 479 HG2 PRO 71 HG2 PRO 71 22.898 4.098 6.813 480 HG3 PRO 71 HG3 PRO 71 21.878 4.243 5.369 481 HD2 PRO 71 HD2 PRO 71 23.112 6.371 6.502 482 HD3 PRO 71 HD3 PRO 71 21.545 6.503 5.679 483 H GLY 72 H GLY 72 23.243 5.032 8.793 484 HA2 GLY 72 HA2 GLY 72 23.218 3.170 10.937 485 HA3 GLY 72 HA3 GLY 72 24.587 4.151 10.437 486 H LYS 73 H LYS 73 23.284 6.688 10.810 487 HA LYS 73 HA LYS 73 23.762 6.994 13.622 488 HB2 LYS 73 HB2 LYS 73 22.952 8.899 11.433 489 HB3 LYS 73 HB3 LYS 73 23.072 9.407 13.112 490 HG2 LYS 73 HG2 LYS 73 25.453 8.010 12.386 491 HG3 LYS 73 HG3 LYS 73 25.118 9.261 11.187 492 HD2 LYS 73 HD2 LYS 73 24.666 10.714 13.347 493 HD3 LYS 73 HD3 LYS 73 25.728 9.516 14.091 494 HE2 LYS 73 HE2 LYS 73 27.440 9.997 12.410 495 HE3 LYS 73 HE3 LYS 73 26.376 11.188 11.663 496 HZ1 LYS 73 HZ1 LYS 73 26.844 11.563 14.495 497 HZ2 LYS 73 HZ2 LYS 73 26.824 12.697 13.241 498 HZ3 LYS 73 HZ3 LYS 73 28.210 11.768 13.519 499 H CYS 74 H CYS 74 20.968 6.728 11.562 500 HA CYS 74 HA CYS 74 19.122 7.633 13.594 501 HB2 CYS 74 HB2 CYS 74 18.734 6.427 10.852 502 HB3 CYS 74 HB3 CYS 74 17.394 6.850 11.913 503 H GLY 75 H GLY 75 20.832 4.839 13.108 504 HA2 GLY 75 HA2 GLY 75 20.723 2.899 14.398 505 HA3 GLY 75 HA3 GLY 75 19.126 3.384 14.948 506 H VAL 76 H VAL 76 18.895 3.772 11.757 507 HA VAL 76 HA VAL 76 17.854 1.048 11.372 508 HB VAL 76 HB VAL 76 16.110 2.659 11.131 509 HG11 VAL 76 HG11 VAL 76 16.732 4.756 10.679 510 HG12 VAL 76 HG12 VAL 76 18.206 4.233 9.860 511 HG13 VAL 76 HG13 VAL 76 16.676 4.278 8.982 512 HG21 VAL 76 HG21 VAL 76 16.574 0.801 9.309 513 HG22 VAL 76 HG22 VAL 76 15.241 1.943 9.141 514 HG23 VAL 76 HG23 VAL 76 16.746 2.209 8.261 515 H ASN 77 H ASN 77 19.850 0.134 10.741 516 HA ASN 77 HA ASN 77 21.181 1.199 8.387 517 HB2 ASN 77 HB2 ASN 77 22.705 -0.814 8.771 518 HB3 ASN 77 HB3 ASN 77 22.690 0.413 10.034 519 HD21 ASN 77 HD21 ASN 77 22.376 -2.842 9.345 520 HD22 ASN 77 HD22 ASN 77 21.747 -3.371 10.865 521 H ILE 78 H ILE 78 21.410 0.091 6.430 522 HA ILE 78 HA ILE 78 19.368 -1.981 5.965 523 HB ILE 78 HB ILE 78 19.622 -1.263 3.523 524 HG12 ILE 78 HG12 ILE 78 21.730 0.145 4.280 525 HG13 ILE 78 HG13 ILE 78 20.697 0.696 2.967 526 HG21 ILE 78 HG21 ILE 78 18.138 0.762 3.913 527 HG22 ILE 78 HG22 ILE 78 17.607 -0.761 4.625 528 HG23 ILE 78 HG23 ILE 78 18.370 0.466 5.636 529 HD11 ILE 78 HD11 ILE 78 21.436 2.322 4.870 530 HD12 ILE 78 HD12 ILE 78 19.804 2.398 4.206 531 HD13 ILE 78 HD13 ILE 78 20.094 1.581 5.741 532 HA PRO 79 HA PRO 79 22.417 -4.901 4.764 533 HB2 PRO 79 HB2 PRO 79 21.155 -6.218 2.753 534 HB3 PRO 79 HB3 PRO 79 20.702 -6.398 4.452 535 HG2 PRO 79 HG2 PRO 79 19.442 -4.711 2.324 536 HG3 PRO 79 HG3 PRO 79 18.665 -5.719 3.559 537 HD2 PRO 79 HD2 PRO 79 18.897 -3.033 3.806 538 HD3 PRO 79 HD3 PRO 79 18.927 -4.126 5.204 539 H TYR 80 H TYR 80 21.183 -2.659 2.425 540 HA TYR 80 HA TYR 80 23.522 -3.164 0.705 541 HB2 TYR 80 HB2 TYR 80 20.720 -2.315 0.071 542 HB3 TYR 80 HB3 TYR 80 22.035 -1.833 -0.996 543 HD1 TYR 80 HD1 TYR 80 20.667 -4.888 0.665 544 HD2 TYR 80 HD2 TYR 80 22.609 -3.236 -2.741 545 HE1 TYR 80 HE1 TYR 80 20.553 -7.076 -0.453 546 HE2 TYR 80 HE2 TYR 80 22.499 -5.419 -3.869 547 HH TYR 80 HH TYR 80 20.886 -8.190 -2.358 548 H LYS 81 H LYS 81 24.420 -1.253 -0.379 549 HA LYS 81 HA LYS 81 24.676 0.934 1.503 550 HB2 LYS 81 HB2 LYS 81 26.457 1.724 0.006 551 HB3 LYS 81 HB3 LYS 81 26.684 0.037 0.448 552 HG2 LYS 81 HG2 LYS 81 25.201 -0.072 -1.889 553 HG3 LYS 81 HG3 LYS 81 26.351 1.239 -2.160 554 HD2 LYS 81 HD2 LYS 81 28.149 -0.342 -1.347 555 HD3 LYS 81 HD3 LYS 81 26.940 -1.624 -1.433 556 HE2 LYS 81 HE2 LYS 81 26.581 -0.874 -3.850 557 HE3 LYS 81 HE3 LYS 81 28.083 0.030 -3.666 558 HZ1 LYS 81 HZ1 LYS 81 28.907 -1.916 -4.447 559 HZ2 LYS 81 HZ2 LYS 81 27.656 -2.856 -3.806 560 HZ3 LYS 81 HZ3 LYS 81 28.901 -2.307 -2.801 561 H ILE 82 H ILE 82 24.473 3.173 0.874 562 HA ILE 82 HA ILE 82 22.158 3.587 -0.839 563 HB ILE 82 HB ILE 82 23.619 5.671 0.776 564 HG12 ILE 82 HG12 ILE 82 22.954 3.882 2.285 565 HG13 ILE 82 HG13 ILE 82 21.906 5.277 2.524 566 HG21 ILE 82 HG21 ILE 82 21.404 6.794 0.713 567 HG22 ILE 82 HG22 ILE 82 22.149 6.606 -0.874 568 HG23 ILE 82 HG23 ILE 82 20.841 5.531 -0.381 569 HD11 ILE 82 HD11 ILE 82 20.128 4.022 2.161 570 HD12 ILE 82 HD12 ILE 82 20.737 3.572 0.567 571 HD13 ILE 82 HD13 ILE 82 21.176 2.616 1.982 572 H SER 83 H SER 83 22.621 3.737 -2.946 573 HA SER 83 HA SER 83 24.173 5.936 -3.903 574 HB2 SER 83 HB2 SER 83 26.109 4.652 -3.646 575 HB3 SER 83 HB3 SER 83 25.287 3.150 -4.069 576 HG SER 83 HG SER 83 26.708 4.623 -5.659 577 H THR 84 H THR 84 24.113 6.105 -6.267 578 HA THR 84 HA THR 84 21.549 5.332 -7.273 579 HB THR 84 HB THR 84 22.409 7.478 -7.930 580 HG1 THR 84 HG1 THR 84 22.139 7.271 -10.173 581 HG21 THR 84 HG21 THR 84 24.491 6.745 -9.754 582 HG22 THR 84 HG22 THR 84 24.868 6.111 -8.152 583 HG23 THR 84 HG23 THR 84 24.563 7.834 -8.369 584 H THR 85 H THR 85 24.437 3.705 -7.075 585 HA THR 85 HA THR 85 24.033 2.208 -9.562 586 HB THR 85 HB THR 85 26.221 1.258 -9.224 587 HG1 THR 85 HG1 THR 85 27.432 1.978 -7.316 588 HG21 THR 85 HG21 THR 85 25.739 4.041 -9.483 589 HG22 THR 85 HG22 THR 85 27.103 3.107 -10.097 590 HG23 THR 85 HG23 THR 85 27.186 3.840 -8.496 591 H THR 86 H THR 86 23.694 1.962 -6.131 592 HA THR 86 HA THR 86 23.817 -0.756 -5.671 593 HB THR 86 HB THR 86 21.926 1.268 -4.460 594 HG1 THR 86 HG1 THR 86 23.777 1.842 -3.595 595 HG21 THR 86 HG21 THR 86 22.067 -0.541 -2.545 596 HG22 THR 86 HG22 THR 86 22.358 -1.629 -3.903 597 HG23 THR 86 HG23 THR 86 20.875 -0.678 -3.837 598 H ASN 87 H ASN 87 22.415 -2.472 -5.847 599 HA ASN 87 HA ASN 87 20.033 -2.011 -7.520 600 HB2 ASN 87 HB2 ASN 87 22.038 -3.386 -8.434 601 HB3 ASN 87 HB3 ASN 87 21.457 -4.653 -7.356 602 HD21 ASN 87 HD21 ASN 87 21.517 -5.272 -9.916 603 HD22 ASN 87 HD22 ASN 87 19.937 -5.277 -10.613 604 H CYS 88 H CYS 88 18.357 -1.964 -6.140 605 HA CYS 88 HA CYS 88 18.240 -3.591 -3.783 606 HB2 CYS 88 HB2 CYS 88 16.496 -1.562 -5.084 607 HB3 CYS 88 HB3 CYS 88 15.726 -2.699 -3.982 608 H ASN 89 H ASN 89 17.320 -3.974 -7.069 609 HA ASN 89 HA ASN 89 15.205 -5.814 -6.778 610 HB2 ASN 89 HB2 ASN 89 15.458 -4.833 -8.913 611 HB3 ASN 89 HB3 ASN 89 17.163 -5.264 -9.001 612 HD21 ASN 89 HD21 ASN 89 13.961 -6.221 -9.647 613 HD22 ASN 89 HD22 ASN 89 14.312 -7.779 -10.307 614 H THR 90 H THR 90 18.590 -6.116 -6.324 615 HA THR 90 HA THR 90 18.528 -9.028 -6.549 616 HB THR 90 HB THR 90 21.038 -8.584 -5.755 617 HG1 THR 90 HG1 THR 90 21.689 -6.562 -6.795 618 HG21 THR 90 HG21 THR 90 19.867 -8.248 -8.508 619 HG22 THR 90 HG22 THR 90 20.611 -9.683 -7.804 620 HG23 THR 90 HG23 THR 90 21.605 -8.286 -8.217 621 H VAL 91 H VAL 91 17.277 -7.270 -4.358 622 HA VAL 91 HA VAL 91 18.708 -8.188 -1.996 623 HB VAL 91 HB VAL 91 16.181 -6.548 -2.235 624 HG11 VAL 91 HG11 VAL 91 15.871 -6.894 -0.065 625 HG12 VAL 91 HG12 VAL 91 17.297 -7.933 -0.008 626 HG13 VAL 91 HG13 VAL 91 17.457 -6.197 0.263 627 HG21 VAL 91 HG21 VAL 91 18.584 -5.309 -1.127 628 HG22 VAL 91 HG22 VAL 91 18.743 -5.780 -2.820 629 HG23 VAL 91 HG23 VAL 91 17.442 -4.697 -2.324 630 H LYS 92 H LYS 92 18.295 -10.078 -1.081 631 HA LYS 92 HA LYS 92 15.728 -11.395 -1.636 632 HB2 LYS 92 HB2 LYS 92 18.483 -12.386 -1.056 633 HB3 LYS 92 HB3 LYS 92 17.119 -13.386 -0.575 634 HG2 LYS 92 HG2 LYS 92 16.436 -13.734 -2.761 635 HG3 LYS 92 HG3 LYS 92 17.304 -12.320 -3.362 636 HD2 LYS 92 HD2 LYS 92 18.669 -14.021 -4.096 637 HD3 LYS 92 HD3 LYS 92 19.412 -13.640 -2.541 638 HE2 LYS 92 HE2 LYS 92 17.704 -15.462 -1.681 639 HE3 LYS 92 HE3 LYS 92 17.796 -16.004 -3.356 640 HZ1 LYS 92 HZ1 LYS 92 19.981 -15.826 -1.370 641 HZ2 LYS 92 HZ2 LYS 92 20.291 -15.956 -3.027 642 HZ3 LYS 92 HZ3 LYS 92 19.449 -17.185 -2.226 643 H PHE 93 H PHE 93 14.253 -11.218 -0.093 644 HA PHE 93 HA PHE 93 13.265 -10.975 1.944 645 HB2 PHE 93 HB2 PHE 93 15.445 -12.954 2.370 646 HB3 PHE 93 HB3 PHE 93 14.653 -12.305 3.803 647 HD1 PHE 93 HD1 PHE 93 13.853 -13.841 0.506 648 HD2 PHE 93 HD2 PHE 93 12.730 -13.310 4.577 649 HE1 PHE 93 HE1 PHE 93 12.006 -15.437 0.201 650 HE2 PHE 93 HE2 PHE 93 10.882 -14.906 4.279 651 HZ PHE 93 HZ PHE 93 10.518 -15.973 2.089 Start of MODEL 19 1 H1 ALA 1 H ALA 1 2.175 -1.962 1.912 2 HA ALA 1 HA ALA 1 3.856 -1.748 0.378 3 HB1 ALA 1 HB1 ALA 1 1.403 -1.615 -1.361 4 HB2 ALA 1 HB2 ALA 1 3.040 -1.753 -2.003 5 HB3 ALA 1 HB3 ALA 1 2.385 -3.028 -0.975 6 H ILE 2 H ILE 2 5.223 -0.149 -0.065 7 HA ILE 2 HA ILE 2 4.351 2.576 -0.015 8 HB ILE 2 HB ILE 2 7.069 1.407 -0.619 9 HG12 ILE 2 HG12 ILE 2 7.393 2.543 1.757 10 HG13 ILE 2 HG13 ILE 2 5.659 2.260 1.871 11 HG21 ILE 2 HG21 ILE 2 7.116 3.532 -1.585 12 HG22 ILE 2 HG22 ILE 2 6.125 4.235 -0.307 13 HG23 ILE 2 HG23 ILE 2 7.796 3.779 0.023 14 HD11 ILE 2 HD11 ILE 2 5.918 -0.056 1.752 15 HD12 ILE 2 HD12 ILE 2 7.568 0.071 1.140 16 HD13 ILE 2 HD13 ILE 2 7.215 0.487 2.817 17 H SER 3 H SER 3 4.204 4.039 -1.655 18 HA SER 3 HA SER 3 4.148 2.930 -4.359 19 HB2 SER 3 HB2 SER 3 2.140 4.063 -3.916 20 HB3 SER 3 HB3 SER 3 2.961 5.385 -3.086 21 HG SER 3 HG SER 3 2.183 5.427 -5.526 22 H CYS 4 H CYS 4 4.922 6.208 -3.233 23 HA CYS 4 HA CYS 4 7.644 6.183 -3.896 24 HB2 CYS 4 HB2 CYS 4 5.882 6.398 -6.159 25 HB3 CYS 4 HB3 CYS 4 6.790 7.896 -5.974 26 H GLY 5 H GLY 5 4.682 8.116 -3.854 27 HA2 GLY 5 HA2 GLY 5 5.787 10.637 -3.441 28 HA3 GLY 5 HA3 GLY 5 4.207 10.130 -2.862 29 H ALA 6 H ALA 6 5.133 8.067 -1.113 30 HA ALA 6 HA ALA 6 5.595 9.588 1.218 31 HB1 ALA 6 HB1 ALA 6 4.496 7.607 1.641 32 HB2 ALA 6 HB2 ALA 6 5.562 6.667 0.597 33 HB3 ALA 6 HB3 ALA 6 6.134 7.224 2.169 34 H VAL 7 H VAL 7 7.728 8.137 -1.090 35 HA VAL 7 HA VAL 7 10.043 8.061 0.591 36 HB VAL 7 HB VAL 7 10.011 8.123 -2.424 37 HG11 VAL 7 HG11 VAL 7 12.170 7.416 -2.362 38 HG12 VAL 7 HG12 VAL 7 12.142 8.300 -0.835 39 HG13 VAL 7 HG13 VAL 7 11.959 6.546 -0.844 40 HG21 VAL 7 HG21 VAL 7 9.765 5.724 -0.612 41 HG22 VAL 7 HG22 VAL 7 8.471 6.395 -1.604 42 HG23 VAL 7 HG23 VAL 7 9.895 5.692 -2.370 43 H THR 8 H THR 8 8.839 10.277 -1.903 44 HA THR 8 HA THR 8 11.038 12.044 -1.851 45 HB THR 8 HB THR 8 8.213 12.858 -2.522 46 HG1 THR 8 HG1 THR 8 10.055 11.701 -4.349 47 HG21 THR 8 HG21 THR 8 9.680 14.093 -4.331 48 HG22 THR 8 HG22 THR 8 10.952 13.871 -3.129 49 HG23 THR 8 HG23 THR 8 9.488 14.761 -2.711 50 H SER 9 H SER 9 8.295 11.660 0.226 51 HA SER 9 HA SER 9 8.231 14.244 1.361 52 HB2 SER 9 HB2 SER 9 7.163 11.564 2.092 53 HB3 SER 9 HB3 SER 9 7.263 12.769 3.376 54 HG SER 9 HG SER 9 6.089 14.185 1.922 55 H ASP 10 H ASP 10 9.731 11.228 2.521 56 HA ASP 10 HA ASP 10 11.056 12.539 4.697 57 HB2 ASP 10 HB2 ASP 10 11.851 9.850 3.616 58 HB3 ASP 10 HB3 ASP 10 11.890 10.428 5.279 59 H LEU 11 H LEU 11 11.748 12.029 1.378 60 HA LEU 11 HA LEU 11 14.587 12.119 1.519 61 HB2 LEU 11 HB2 LEU 11 12.565 12.486 -0.651 62 HB3 LEU 11 HB3 LEU 11 14.255 12.890 -0.947 63 HG LEU 11 HG LEU 11 13.426 10.176 0.041 64 HD11 LEU 11 HD11 LEU 11 13.461 11.232 -2.768 65 HD12 LEU 11 HD12 LEU 11 12.186 10.339 -1.941 66 HD13 LEU 11 HD13 LEU 11 13.677 9.520 -2.405 67 HD21 LEU 11 HD21 LEU 11 15.740 10.628 -1.736 68 HD22 LEU 11 HD22 LEU 11 15.566 9.559 -0.344 69 HD23 LEU 11 HD23 LEU 11 15.867 11.280 -0.102 70 H SER 12 H SER 12 12.065 14.545 1.246 71 HA SER 12 HA SER 12 13.546 16.757 0.483 72 HB2 SER 12 HB2 SER 12 11.314 17.276 0.564 73 HB3 SER 12 HB3 SER 12 11.041 16.347 2.038 74 HG SER 12 HG SER 12 11.825 18.010 3.238 75 HA PRO 13 HA PRO 13 14.483 17.663 5.139 76 HB2 PRO 13 HB2 PRO 13 13.955 15.682 6.918 77 HB3 PRO 13 HB3 PRO 13 12.769 16.916 6.475 78 HG2 PRO 13 HG2 PRO 13 13.043 14.106 5.478 79 HG3 PRO 13 HG3 PRO 13 11.577 14.994 5.933 80 HD2 PRO 13 HD2 PRO 13 12.337 14.661 3.355 81 HD3 PRO 13 HD3 PRO 13 11.473 16.107 3.917 82 H CYS 14 H CYS 14 14.963 14.479 3.796 83 HA CYS 14 HA CYS 14 17.395 13.988 5.280 84 HB2 CYS 14 HB2 CYS 14 15.898 12.509 3.134 85 HB3 CYS 14 HB3 CYS 14 17.531 12.029 3.584 86 H LEU 15 H LEU 15 16.519 15.647 2.452 87 HA LEU 15 HA LEU 15 18.829 15.256 0.876 88 HB2 LEU 15 HB2 LEU 15 16.604 17.209 0.965 89 HB3 LEU 15 HB3 LEU 15 18.063 17.695 0.105 90 HG LEU 15 HG LEU 15 16.344 15.292 -0.504 91 HD11 LEU 15 HD11 LEU 15 16.723 17.207 -2.622 92 HD12 LEU 15 HD12 LEU 15 16.014 17.969 -1.199 93 HD13 LEU 15 HD13 LEU 15 15.229 16.572 -1.933 94 HD21 LEU 15 HD21 LEU 15 18.461 14.585 -1.110 95 HD22 LEU 15 HD22 LEU 15 18.994 16.209 -1.546 96 HD23 LEU 15 HD23 LEU 15 17.877 15.334 -2.595 97 H THR 16 H THR 16 17.961 17.786 3.215 98 HA THR 16 HA THR 16 20.145 19.441 2.991 99 HB THR 16 HB THR 16 19.031 18.740 5.696 100 HG1 THR 16 HG1 THR 16 17.247 20.018 5.226 101 HG21 THR 16 HG21 THR 16 19.418 21.527 4.795 102 HG22 THR 16 HG22 THR 16 20.884 20.566 4.985 103 HG23 THR 16 HG23 THR 16 19.784 20.775 6.347 104 H TYR 17 H TYR 17 19.876 16.420 4.806 105 HA TYR 17 HA TYR 17 22.570 16.633 5.829 106 HB2 TYR 17 HB2 TYR 17 20.793 15.569 7.166 107 HB3 TYR 17 HB3 TYR 17 20.622 14.321 5.937 108 HD1 TYR 17 HD1 TYR 17 23.349 15.860 7.988 109 HD2 TYR 17 HD2 TYR 17 21.654 12.309 6.367 110 HE1 TYR 17 HE1 TYR 17 25.083 14.526 9.111 111 HE2 TYR 17 HE2 TYR 17 23.383 10.966 7.487 112 HH TYR 17 HH TYR 17 26.076 12.465 9.163 113 H LEU 18 H LEU 18 20.867 14.843 3.318 114 HA LEU 18 HA LEU 18 23.016 13.137 2.617 115 HB2 LEU 18 HB2 LEU 18 20.447 13.957 1.361 116 HB3 LEU 18 HB3 LEU 18 21.655 13.163 0.353 117 HG LEU 18 HG LEU 18 20.411 12.012 2.850 118 HD11 LEU 18 HD11 LEU 18 19.117 12.269 0.557 119 HD12 LEU 18 HD12 LEU 18 18.980 10.816 1.547 120 HD13 LEU 18 HD13 LEU 18 20.056 10.832 0.150 121 HD21 LEU 18 HD21 LEU 18 22.840 11.390 1.536 122 HD22 LEU 18 HD22 LEU 18 21.698 10.091 1.191 123 HD23 LEU 18 HD23 LEU 18 22.059 10.528 2.862 124 H THR 19 H THR 19 22.559 16.445 2.192 125 HA THR 19 HA THR 19 24.195 16.601 -0.222 126 HB THR 19 HB THR 19 23.835 19.132 0.160 127 HG1 THR 19 HG1 THR 19 21.547 18.369 1.591 128 HG21 THR 19 HG21 THR 19 22.089 19.037 -1.290 129 HG22 THR 19 HG22 THR 19 21.201 17.867 -0.313 130 HG23 THR 19 HG23 THR 19 22.530 17.331 -1.341 131 H GLY 20 H GLY 20 24.590 16.588 3.131 132 HA2 GLY 20 HA2 GLY 20 26.903 16.460 3.920 133 HA3 GLY 20 HA3 GLY 20 27.271 17.791 2.833 134 H GLY 21 H GLY 21 24.329 18.512 4.055 135 HA2 GLY 21 HA2 GLY 21 25.392 20.545 5.777 136 HA3 GLY 21 HA3 GLY 21 23.692 20.230 5.461 137 HA PRO 22 HA PRO 22 24.639 19.028 9.847 138 HB2 PRO 22 HB2 PRO 22 22.516 20.339 10.919 139 HB3 PRO 22 HB3 PRO 22 24.079 21.114 10.633 140 HG2 PRO 22 HG2 PRO 22 21.586 21.212 8.979 141 HG3 PRO 22 HG3 PRO 22 22.697 22.526 9.408 142 HD2 PRO 22 HD2 PRO 22 22.759 21.295 6.997 143 HD3 PRO 22 HD3 PRO 22 24.216 21.944 7.775 144 H GLY 23 H GLY 23 23.787 17.252 10.790 145 HA2 GLY 23 HA2 GLY 23 21.197 16.465 11.071 146 HA3 GLY 23 HA3 GLY 23 21.622 15.896 9.463 147 HA PRO 24 HA PRO 24 20.672 14.100 9.312 148 HB2 PRO 24 HB2 PRO 24 19.317 12.015 10.402 149 HB3 PRO 24 HB3 PRO 24 20.685 11.803 9.304 150 HG2 PRO 24 HG2 PRO 24 20.616 11.660 12.293 151 HG3 PRO 24 HG3 PRO 24 21.450 10.601 11.142 152 HD2 PRO 24 HD2 PRO 24 22.726 12.560 12.507 153 HD3 PRO 24 HD3 PRO 24 23.206 12.069 10.870 154 H SER 25 H SER 25 18.821 15.227 9.457 155 HA SER 25 HA SER 25 18.082 16.523 11.845 156 HB2 SER 25 HB2 SER 25 15.878 16.878 10.356 157 HB3 SER 25 HB3 SER 25 17.374 17.763 10.057 158 HG SER 25 HG SER 25 16.134 15.840 8.542 159 HA PRO 26 HA PRO 26 15.244 13.845 13.848 160 HB2 PRO 26 HB2 PRO 26 13.209 15.499 14.548 161 HB3 PRO 26 HB3 PRO 26 14.796 15.547 15.325 162 HG2 PRO 26 HG2 PRO 26 13.690 17.303 13.167 163 HG3 PRO 26 HG3 PRO 26 14.632 17.751 14.601 164 HD2 PRO 26 HD2 PRO 26 15.738 17.537 12.138 165 HD3 PRO 26 HD3 PRO 26 16.634 17.159 13.624 166 H GLN 27 H GLN 27 13.587 16.019 11.566 167 HA GLN 27 HA GLN 27 11.305 14.397 11.219 168 HB2 GLN 27 HB2 GLN 27 12.538 16.621 9.621 169 HB3 GLN 27 HB3 GLN 27 11.142 15.744 9.008 170 HG2 GLN 27 HG2 GLN 27 9.778 16.469 10.779 171 HG3 GLN 27 HG3 GLN 27 11.160 17.031 11.717 172 HE21 GLN 27 HE21 GLN 27 8.891 17.773 9.253 173 HE22 GLN 27 HE22 GLN 27 9.387 19.404 8.977 174 H CYS 28 H CYS 28 14.421 14.511 9.598 175 HA CYS 28 HA CYS 28 13.770 12.846 7.416 176 HB2 CYS 28 HB2 CYS 28 15.754 14.114 7.221 177 HB3 CYS 28 HB3 CYS 28 16.368 13.544 8.769 178 H CYS 29 H CYS 29 15.343 12.111 10.525 179 HA CYS 29 HA CYS 29 15.747 9.402 10.194 180 HB2 CYS 29 HB2 CYS 29 15.084 11.014 12.654 181 HB3 CYS 29 HB3 CYS 29 15.446 9.293 12.731 182 H GLY 30 H GLY 30 12.864 11.005 11.543 183 HA2 GLY 30 HA2 GLY 30 11.349 8.742 12.086 184 HA3 GLY 30 HA3 GLY 30 10.679 10.312 11.669 185 H GLY 31 H GLY 31 11.569 10.576 9.051 186 HA2 GLY 31 HA2 GLY 31 9.624 9.036 7.674 187 HA3 GLY 31 HA3 GLY 31 10.824 10.084 6.933 188 H VAL 32 H VAL 32 13.166 8.855 7.788 189 HA VAL 32 HA VAL 32 13.575 6.912 5.855 190 HB VAL 32 HB VAL 32 15.111 7.186 8.442 191 HG11 VAL 32 HG11 VAL 32 15.877 5.215 7.513 192 HG12 VAL 32 HG12 VAL 32 15.630 5.775 5.858 193 HG13 VAL 32 HG13 VAL 32 16.978 6.399 6.809 194 HG21 VAL 32 HG21 VAL 32 14.824 8.990 6.235 195 HG22 VAL 32 HG22 VAL 32 15.762 9.183 7.716 196 HG23 VAL 32 HG23 VAL 32 16.485 8.401 6.310 197 H LYS 33 H LYS 33 13.377 6.335 9.373 198 HA LYS 33 HA LYS 33 13.305 3.557 9.261 199 HB2 LYS 33 HB2 LYS 33 12.327 5.566 11.261 200 HB3 LYS 33 HB3 LYS 33 11.985 3.858 11.498 201 HG2 LYS 33 HG2 LYS 33 14.323 3.335 11.557 202 HG3 LYS 33 HG3 LYS 33 14.747 4.992 11.119 203 HD2 LYS 33 HD2 LYS 33 14.912 5.380 13.313 204 HD3 LYS 33 HD3 LYS 33 13.149 5.303 13.350 205 HE2 LYS 33 HE2 LYS 33 14.858 2.845 13.608 206 HE3 LYS 33 HE3 LYS 33 14.436 3.837 15.003 207 HZ1 LYS 33 HZ1 LYS 33 12.058 3.521 14.298 208 HZ2 LYS 33 HZ2 LYS 33 12.834 2.139 14.888 209 HZ3 LYS 33 HZ3 LYS 33 12.607 2.335 13.224 210 H LYS 34 H LYS 34 10.848 5.872 8.548 211 HA LYS 34 HA LYS 34 8.601 4.148 8.881 212 HB2 LYS 34 HB2 LYS 34 8.712 6.752 8.731 213 HB3 LYS 34 HB3 LYS 34 8.620 6.481 6.995 214 HG2 LYS 34 HG2 LYS 34 6.412 6.567 7.302 215 HG3 LYS 34 HG3 LYS 34 6.584 4.917 7.904 216 HD2 LYS 34 HD2 LYS 34 6.939 5.908 10.193 217 HD3 LYS 34 HD3 LYS 34 6.471 7.466 9.508 218 HE2 LYS 34 HE2 LYS 34 4.497 6.619 10.436 219 HE3 LYS 34 HE3 LYS 34 4.354 6.276 8.712 220 HZ1 LYS 34 HZ1 LYS 34 3.830 4.445 10.457 221 HZ2 LYS 34 HZ2 LYS 34 5.509 4.239 10.485 222 HZ3 LYS 34 HZ3 LYS 34 4.658 4.043 9.037 223 H LEU 35 H LEU 35 10.588 5.109 6.109 224 HA LEU 35 HA LEU 35 9.100 3.710 4.158 225 HB2 LEU 35 HB2 LEU 35 10.797 5.533 3.773 226 HB3 LEU 35 HB3 LEU 35 12.045 4.321 4.054 227 HG LEU 35 HG LEU 35 9.981 3.958 1.906 228 HD11 LEU 35 HD11 LEU 35 10.800 5.923 1.096 229 HD12 LEU 35 HD12 LEU 35 12.021 4.818 0.465 230 HD13 LEU 35 HD13 LEU 35 12.348 5.752 1.925 231 HD21 LEU 35 HD21 LEU 35 12.326 2.888 1.050 232 HD22 LEU 35 HD22 LEU 35 11.067 1.993 1.902 233 HD23 LEU 35 HD23 LEU 35 12.447 2.638 2.792 234 H LEU 36 H LEU 36 11.640 2.758 6.358 235 HA LEU 36 HA LEU 36 12.046 0.200 5.063 236 HB2 LEU 36 HB2 LEU 36 13.062 1.033 7.765 237 HB3 LEU 36 HB3 LEU 36 13.713 -0.204 6.692 238 HG LEU 36 HG LEU 36 13.788 2.766 6.161 239 HD11 LEU 36 HD11 LEU 36 15.317 2.572 7.852 240 HD12 LEU 36 HD12 LEU 36 16.330 2.187 6.462 241 HD13 LEU 36 HD13 LEU 36 15.691 0.890 7.472 242 HD21 LEU 36 HD21 LEU 36 15.560 1.912 4.488 243 HD22 LEU 36 HD22 LEU 36 13.853 1.757 4.071 244 HD23 LEU 36 HD23 LEU 36 14.747 0.357 4.664 245 H ALA 37 H ALA 37 10.372 1.496 7.864 246 HA ALA 37 HA ALA 37 9.699 -1.056 8.973 247 HB1 ALA 37 HB1 ALA 37 9.856 1.015 10.320 248 HB2 ALA 37 HB2 ALA 37 8.410 1.616 9.508 249 HB3 ALA 37 HB3 ALA 37 8.318 0.173 10.517 250 H ALA 38 H ALA 38 8.192 1.183 6.737 251 HA ALA 38 HA ALA 38 5.674 -0.239 6.723 252 HB1 ALA 38 HB1 ALA 38 5.777 2.205 6.406 253 HB2 ALA 38 HB2 ALA 38 6.633 1.950 4.885 254 HB3 ALA 38 HB3 ALA 38 4.975 1.378 5.070 255 H ALA 39 H ALA 39 8.628 -0.912 5.471 256 HA ALA 39 HA ALA 39 7.460 -2.386 3.202 257 HB1 ALA 39 HB1 ALA 39 10.322 -1.576 3.125 258 HB2 ALA 39 HB2 ALA 39 9.185 -1.838 1.802 259 HB3 ALA 39 HB3 ALA 39 9.091 -0.365 2.768 260 H ASN 40 H ASN 40 7.361 -4.445 3.850 261 HA ASN 40 HA ASN 40 9.716 -5.587 5.205 262 HB2 ASN 40 HB2 ASN 40 7.674 -5.573 6.602 263 HB3 ASN 40 HB3 ASN 40 6.841 -6.518 5.372 264 HD21 ASN 40 HD21 ASN 40 9.998 -6.669 6.992 265 HD22 ASN 40 HD22 ASN 40 9.880 -8.336 7.432 266 H THR 41 H THR 41 7.512 -5.825 2.550 267 HA THR 41 HA THR 41 8.556 -8.436 1.751 268 HB THR 41 HB THR 41 6.842 -8.490 0.075 269 HG1 THR 41 HG1 THR 41 5.505 -6.666 -0.287 270 HG21 THR 41 HG21 THR 41 6.305 -8.272 2.812 271 HG22 THR 41 HG22 THR 41 5.278 -9.006 1.580 272 HG23 THR 41 HG23 THR 41 5.060 -7.311 2.015 273 H THR 42 H THR 42 8.554 -8.393 -0.919 274 HA THR 42 HA THR 42 10.905 -6.827 -1.521 275 HB THR 42 HB THR 42 9.459 -9.068 -2.829 276 HG1 THR 42 HG1 THR 42 12.156 -8.379 -2.257 277 HG21 THR 42 HG21 THR 42 9.470 -7.662 -4.718 278 HG22 THR 42 HG22 THR 42 10.910 -8.664 -4.893 279 HG23 THR 42 HG23 THR 42 11.056 -7.002 -4.321 280 HA PRO 43 HA PRO 43 7.615 -5.286 -4.942 281 HB2 PRO 43 HB2 PRO 43 5.337 -5.374 -3.017 282 HB3 PRO 43 HB3 PRO 43 5.344 -5.634 -4.766 283 HG2 PRO 43 HG2 PRO 43 5.173 -7.685 -3.049 284 HG3 PRO 43 HG3 PRO 43 6.069 -7.819 -4.574 285 HD2 PRO 43 HD2 PRO 43 7.070 -7.606 -1.803 286 HD3 PRO 43 HD3 PRO 43 7.798 -8.388 -3.220 287 H ASP 44 H ASP 44 6.974 -4.628 -1.495 288 HA ASP 44 HA ASP 44 6.530 -1.861 -1.818 289 HB2 ASP 44 HB2 ASP 44 7.602 -3.080 0.714 290 HB3 ASP 44 HB3 ASP 44 6.485 -1.730 0.529 291 H ARG 45 H ARG 45 9.415 -3.693 -0.855 292 HA ARG 45 HA ARG 45 11.090 -1.473 -0.438 293 HB2 ARG 45 HB2 ARG 45 11.742 -4.323 -1.200 294 HB3 ARG 45 HB3 ARG 45 12.951 -3.127 -0.754 295 HG2 ARG 45 HG2 ARG 45 10.749 -3.460 1.164 296 HG3 ARG 45 HG3 ARG 45 11.813 -4.855 0.972 297 HD2 ARG 45 HD2 ARG 45 13.724 -3.597 1.579 298 HD3 ARG 45 HD3 ARG 45 12.851 -2.072 1.439 299 HE ARG 45 HE ARG 45 11.557 -3.568 3.382 300 HH11 ARG 45 HH11 ARG 45 14.692 -2.139 2.881 301 HH12 ARG 45 HH12 ARG 45 14.992 -1.889 4.569 302 HH21 ARG 45 HH21 ARG 45 11.941 -3.245 5.607 303 HH22 ARG 45 HH22 ARG 45 13.427 -2.520 6.119 304 H GLN 46 H GLN 46 10.096 -3.141 -3.322 305 HA GLN 46 HA GLN 46 12.156 -2.213 -5.034 306 HB2 GLN 46 HB2 GLN 46 9.493 -3.486 -5.384 307 HB3 GLN 46 HB3 GLN 46 10.165 -2.635 -6.769 308 HG2 GLN 46 HG2 GLN 46 11.634 -4.775 -5.251 309 HG3 GLN 46 HG3 GLN 46 10.654 -5.080 -6.685 310 HE21 GLN 46 HE21 GLN 46 11.232 -3.618 -8.579 311 HE22 GLN 46 HE22 GLN 46 12.919 -3.414 -8.893 312 H ALA 47 H ALA 47 8.819 -1.090 -4.506 313 HA ALA 47 HA ALA 47 8.823 1.056 -6.263 314 HB1 ALA 47 HB1 ALA 47 6.729 0.711 -5.463 315 HB2 ALA 47 HB2 ALA 47 7.291 0.348 -3.831 316 HB3 ALA 47 HB3 ALA 47 7.203 2.021 -4.381 317 H ALA 48 H ALA 48 9.689 1.038 -2.809 318 HA ALA 48 HA ALA 48 10.355 3.763 -2.633 319 HB1 ALA 48 HB1 ALA 48 11.717 1.699 -0.952 320 HB2 ALA 48 HB2 ALA 48 11.141 3.306 -0.506 321 HB3 ALA 48 HB3 ALA 48 9.988 1.997 -0.770 322 H CYS 49 H CYS 49 12.494 0.925 -2.962 323 HA CYS 49 HA CYS 49 14.921 2.194 -3.138 324 HB2 CYS 49 HB2 CYS 49 13.829 -0.346 -4.235 325 HB3 CYS 49 HB3 CYS 49 15.365 0.216 -4.886 326 H ASN 50 H ASN 50 12.454 1.871 -5.615 327 HA ASN 50 HA ASN 50 13.987 2.728 -7.815 328 HB2 ASN 50 HB2 ASN 50 11.014 2.926 -7.295 329 HB3 ASN 50 HB3 ASN 50 11.772 3.267 -8.848 330 HD21 ASN 50 HD21 ASN 50 9.797 1.270 -8.235 331 HD22 ASN 50 HD22 ASN 50 10.499 -0.261 -8.619 332 H CYS 51 H CYS 51 11.569 4.581 -5.952 333 HA CYS 51 HA CYS 51 12.270 7.076 -7.057 334 HB2 CYS 51 HB2 CYS 51 10.609 6.128 -4.792 335 HB3 CYS 51 HB3 CYS 51 11.163 7.797 -4.705 336 H LEU 52 H LEU 52 13.664 5.186 -4.532 337 HA LEU 52 HA LEU 52 15.028 7.339 -3.222 338 HB2 LEU 52 HB2 LEU 52 15.076 4.366 -3.067 339 HB3 LEU 52 HB3 LEU 52 16.425 5.269 -2.382 340 HG LEU 52 HG LEU 52 13.533 5.588 -1.582 341 HD11 LEU 52 HD11 LEU 52 14.096 4.406 0.422 342 HD12 LEU 52 HD12 LEU 52 15.787 4.287 -0.064 343 HD13 LEU 52 HD13 LEU 52 14.549 3.405 -0.958 344 HD21 LEU 52 HD21 LEU 52 15.636 7.371 -1.316 345 HD22 LEU 52 HD22 LEU 52 15.566 6.553 0.245 346 HD23 LEU 52 HD23 LEU 52 14.136 7.368 -0.388 347 H LYS 53 H LYS 53 16.259 4.583 -5.129 348 HA LYS 53 HA LYS 53 18.861 5.432 -5.438 349 HB2 LYS 53 HB2 LYS 53 17.529 3.275 -6.271 350 HB3 LYS 53 HB3 LYS 53 17.555 4.159 -7.792 351 HG2 LYS 53 HG2 LYS 53 19.563 3.294 -8.146 352 HG3 LYS 53 HG3 LYS 53 20.160 4.330 -6.847 353 HD2 LYS 53 HD2 LYS 53 19.098 1.523 -6.524 354 HD3 LYS 53 HD3 LYS 53 20.799 1.994 -6.494 355 HE2 LYS 53 HE2 LYS 53 20.646 2.436 -4.325 356 HE3 LYS 53 HE3 LYS 53 19.390 3.630 -4.647 357 HZ1 LYS 53 HZ1 LYS 53 19.147 0.886 -3.712 358 HZ2 LYS 53 HZ2 LYS 53 17.969 1.404 -4.809 359 HZ3 LYS 53 HZ3 LYS 53 18.197 2.239 -3.356 360 H SER 54 H SER 54 16.016 6.344 -7.312 361 HA SER 54 HA SER 54 17.487 7.875 -9.234 362 HB2 SER 54 HB2 SER 54 14.573 7.540 -8.581 363 HB3 SER 54 HB3 SER 54 15.096 8.808 -9.690 364 HG SER 54 HG SER 54 14.566 6.811 -10.739 365 H ALA 55 H ALA 55 15.988 8.509 -6.151 366 HA ALA 55 HA ALA 55 15.923 11.342 -6.353 367 HB1 ALA 55 HB1 ALA 55 15.748 11.216 -3.832 368 HB2 ALA 55 HB2 ALA 55 14.505 10.358 -4.744 369 HB3 ALA 55 HB3 ALA 55 15.834 9.463 -4.008 370 H ALA 56 H ALA 56 18.147 9.145 -4.634 371 HA ALA 56 HA ALA 56 19.956 11.164 -3.848 372 HB1 ALA 56 HB1 ALA 56 21.470 9.347 -3.289 373 HB2 ALA 56 HB2 ALA 56 19.832 8.975 -2.751 374 HB3 ALA 56 HB3 ALA 56 20.476 8.215 -4.207 375 H GLY 57 H GLY 57 19.516 9.444 -6.815 376 HA2 GLY 57 HA2 GLY 57 22.090 9.634 -7.914 377 HA3 GLY 57 HA3 GLY 57 20.596 9.553 -8.837 378 H SER 58 H SER 58 19.775 12.083 -7.280 379 HA SER 58 HA SER 58 21.056 13.931 -9.161 380 HB2 SER 58 HB2 SER 58 18.518 14.169 -7.530 381 HB3 SER 58 HB3 SER 58 19.165 15.461 -8.542 382 HG SER 58 HG SER 58 18.484 12.867 -9.472 383 H ILE 59 H ILE 59 22.160 12.920 -6.534 384 HA ILE 59 HA ILE 59 22.313 15.394 -4.988 385 HB ILE 59 HB ILE 59 23.440 12.655 -4.394 386 HG12 ILE 59 HG12 ILE 59 20.958 12.813 -4.348 387 HG13 ILE 59 HG13 ILE 59 21.652 12.467 -2.768 388 HG21 ILE 59 HG21 ILE 59 23.741 13.607 -2.092 389 HG22 ILE 59 HG22 ILE 59 24.816 14.272 -3.321 390 HG23 ILE 59 HG23 ILE 59 23.415 15.197 -2.781 391 HD11 ILE 59 HD11 ILE 59 21.335 15.309 -3.224 392 HD12 ILE 59 HD12 ILE 59 19.813 14.426 -3.358 393 HD13 ILE 59 HD13 ILE 59 20.777 14.303 -1.886 394 H THR 60 H THR 60 23.768 16.819 -5.677 395 HA THR 60 HA THR 60 25.943 16.332 -7.334 396 HB THR 60 HB THR 60 25.214 18.578 -7.132 397 HG1 THR 60 HG1 THR 60 27.167 19.476 -7.018 398 HG21 THR 60 HG21 THR 60 25.104 17.956 -4.320 399 HG22 THR 60 HG22 THR 60 24.342 19.279 -5.203 400 HG23 THR 60 HG23 THR 60 25.985 19.459 -4.588 401 H LYS 61 H LYS 61 27.669 15.116 -6.967 402 HA LYS 61 HA LYS 61 29.432 14.103 -5.947 403 HB2 LYS 61 HB2 LYS 61 29.244 16.708 -4.477 404 HB3 LYS 61 HB3 LYS 61 30.402 15.493 -3.952 405 HG2 LYS 61 HG2 LYS 61 31.352 15.482 -6.242 406 HG3 LYS 61 HG3 LYS 61 30.261 16.806 -6.657 407 HD2 LYS 61 HD2 LYS 61 31.379 18.320 -5.326 408 HD3 LYS 61 HD3 LYS 61 32.029 17.067 -4.266 409 HE2 LYS 61 HE2 LYS 61 32.918 16.907 -7.060 410 HE3 LYS 61 HE3 LYS 61 33.442 18.355 -6.202 411 HZ1 LYS 61 HZ1 LYS 61 35.106 16.970 -5.603 412 HZ2 LYS 61 HZ2 LYS 61 34.174 15.568 -5.761 413 HZ3 LYS 61 HZ3 LYS 61 34.016 16.538 -4.383 414 H LEU 62 H LEU 62 27.201 12.871 -5.279 415 HA LEU 62 HA LEU 62 26.342 12.768 -2.663 416 HB2 LEU 62 HB2 LEU 62 25.221 11.535 -4.381 417 HB3 LEU 62 HB3 LEU 62 26.652 10.549 -4.675 418 HG LEU 62 HG LEU 62 26.230 9.899 -2.122 419 HD11 LEU 62 HD11 LEU 62 24.054 11.482 -2.535 420 HD12 LEU 62 HD12 LEU 62 24.161 10.203 -1.326 421 HD13 LEU 62 HD13 LEU 62 23.405 9.880 -2.886 422 HD21 LEU 62 HD21 LEU 62 24.454 8.225 -3.449 423 HD22 LEU 62 HD22 LEU 62 26.190 7.984 -3.254 424 HD23 LEU 62 HD23 LEU 62 25.567 8.775 -4.702 425 H ASN 63 H ASN 63 27.016 11.813 -0.796 426 HA ASN 63 HA ASN 63 29.744 10.711 -0.819 427 HB2 ASN 63 HB2 ASN 63 28.996 12.853 0.551 428 HB3 ASN 63 HB3 ASN 63 28.443 11.642 1.703 429 HD21 ASN 63 HD21 ASN 63 30.825 13.658 1.273 430 HD22 ASN 63 HD22 ASN 63 32.169 12.750 1.869 431 H THR 64 H THR 64 29.569 8.552 -0.945 432 HA THR 64 HA THR 64 27.481 6.954 -0.080 433 HB THR 64 HB THR 64 29.222 5.095 0.022 434 HG1 THR 64 HG1 THR 64 31.241 5.914 -1.105 435 HG21 THR 64 HG21 THR 64 28.149 6.541 -2.175 436 HG22 THR 64 HG22 THR 64 28.624 4.844 -2.108 437 HG23 THR 64 HG23 THR 64 29.796 6.070 -2.589 438 H ASN 65 H ASN 65 30.258 8.160 1.705 439 HA ASN 65 HA ASN 65 29.942 6.528 3.995 440 HB2 ASN 65 HB2 ASN 65 31.313 9.170 3.519 441 HB3 ASN 65 HB3 ASN 65 31.284 8.413 5.109 442 HD21 ASN 65 HD21 ASN 65 33.386 8.965 2.960 443 HD22 ASN 65 HD22 ASN 65 34.231 7.464 2.831 444 H ASN 66 H ASN 66 28.747 9.754 3.158 445 HA ASN 66 HA ASN 66 27.503 10.246 5.663 446 HB2 ASN 66 HB2 ASN 66 26.897 11.463 2.959 447 HB3 ASN 66 HB3 ASN 66 26.389 12.107 4.518 448 HD21 ASN 66 HD21 ASN 66 27.708 13.782 2.977 449 HD22 ASN 66 HD22 ASN 66 29.332 14.013 3.519 450 H ALA 67 H ALA 67 26.358 8.944 2.582 451 HA ALA 67 HA ALA 67 23.630 8.827 3.142 452 HB1 ALA 67 HB1 ALA 67 23.867 6.700 1.561 453 HB2 ALA 67 HB2 ALA 67 24.000 8.350 0.953 454 HB3 ALA 67 HB3 ALA 67 25.457 7.413 1.286 455 H ALA 68 H ALA 68 26.226 6.569 3.937 456 HA ALA 68 HA ALA 68 24.465 4.592 5.040 457 HB1 ALA 68 HB1 ALA 68 27.408 4.942 4.821 458 HB2 ALA 68 HB2 ALA 68 26.789 3.826 6.040 459 HB3 ALA 68 HB3 ALA 68 26.389 3.585 4.339 460 H ALA 69 H ALA 69 26.161 7.382 6.240 461 HA ALA 69 HA ALA 69 25.989 6.701 9.010 462 HB1 ALA 69 HB1 ALA 69 26.398 9.399 7.725 463 HB2 ALA 69 HB2 ALA 69 26.686 8.996 9.419 464 HB3 ALA 69 HB3 ALA 69 27.674 8.261 8.157 465 H LEU 70 H LEU 70 23.854 8.161 6.708 466 HA LEU 70 HA LEU 70 22.182 9.647 8.366 467 HB2 LEU 70 HB2 LEU 70 21.696 9.991 6.168 468 HB3 LEU 70 HB3 LEU 70 21.900 8.292 5.745 469 HG LEU 70 HG LEU 70 19.702 7.787 6.683 470 HD11 LEU 70 HD11 LEU 70 19.277 10.735 7.050 471 HD12 LEU 70 HD12 LEU 70 19.830 9.695 8.362 472 HD13 LEU 70 HD13 LEU 70 18.268 9.397 7.601 473 HD21 LEU 70 HD21 LEU 70 19.938 9.925 4.597 474 HD22 LEU 70 HD22 LEU 70 18.363 9.288 5.070 475 HD23 LEU 70 HD23 LEU 70 19.586 8.208 4.400 476 HA PRO 71 HA PRO 71 19.476 5.686 8.962 477 HB2 PRO 71 HB2 PRO 71 20.552 3.319 8.180 478 HB3 PRO 71 HB3 PRO 71 19.585 4.337 7.105 479 HG2 PRO 71 HG2 PRO 71 22.561 4.083 7.303 480 HG3 PRO 71 HG3 PRO 71 21.540 4.171 5.857 481 HD2 PRO 71 HD2 PRO 71 22.907 6.306 6.807 482 HD3 PRO 71 HD3 PRO 71 21.343 6.464 5.982 483 H GLY 72 H GLY 72 22.969 5.031 9.158 484 HA2 GLY 72 HA2 GLY 72 22.864 3.388 11.448 485 HA3 GLY 72 HA3 GLY 72 24.278 4.264 10.881 486 H LYS 73 H LYS 73 23.167 6.885 11.083 487 HA LYS 73 HA LYS 73 23.621 7.338 13.880 488 HB2 LYS 73 HB2 LYS 73 22.976 9.167 11.570 489 HB3 LYS 73 HB3 LYS 73 23.164 9.755 13.217 490 HG2 LYS 73 HG2 LYS 73 25.397 8.103 12.523 491 HG3 LYS 73 HG3 LYS 73 25.160 9.346 11.292 492 HD2 LYS 73 HD2 LYS 73 24.883 10.900 13.405 493 HD3 LYS 73 HD3 LYS 73 25.828 9.628 14.182 494 HE2 LYS 73 HE2 LYS 73 27.567 9.882 12.484 495 HE3 LYS 73 HE3 LYS 73 26.618 11.140 11.693 496 HZ1 LYS 73 HZ1 LYS 73 27.970 12.421 12.962 497 HZ2 LYS 73 HZ2 LYS 73 28.157 11.256 14.174 498 HZ3 LYS 73 HZ3 LYS 73 26.739 12.175 14.096 499 H CYS 74 H CYS 74 20.854 7.104 11.793 500 HA CYS 74 HA CYS 74 19.043 8.310 13.698 501 HB2 CYS 74 HB2 CYS 74 18.673 6.965 11.028 502 HB3 CYS 74 HB3 CYS 74 17.302 7.430 12.030 503 H GLY 75 H GLY 75 20.629 5.492 13.735 504 HA2 GLY 75 HA2 GLY 75 20.341 3.599 15.014 505 HA3 GLY 75 HA3 GLY 75 18.843 4.297 15.612 506 H VAL 76 H VAL 76 19.721 3.559 12.264 507 HA VAL 76 HA VAL 76 17.858 1.311 12.241 508 HB VAL 76 HB VAL 76 16.526 3.330 11.653 509 HG11 VAL 76 HG11 VAL 76 18.403 3.452 9.295 510 HG12 VAL 76 HG12 VAL 76 16.913 4.385 9.458 511 HG13 VAL 76 HG13 VAL 76 18.249 4.650 10.580 512 HG21 VAL 76 HG21 VAL 76 16.842 1.528 9.266 513 HG22 VAL 76 HG22 VAL 76 16.093 0.993 10.770 514 HG23 VAL 76 HG23 VAL 76 15.378 2.318 9.853 515 H ASN 77 H ASN 77 18.357 -0.248 10.763 516 HA ASN 77 HA ASN 77 20.601 0.311 8.938 517 HB2 ASN 77 HB2 ASN 77 20.978 -1.181 11.090 518 HB3 ASN 77 HB3 ASN 77 20.242 -2.425 10.085 519 HD21 ASN 77 HD21 ASN 77 22.731 0.095 9.910 520 HD22 ASN 77 HD22 ASN 77 23.859 -0.845 9.000 521 H ILE 78 H ILE 78 20.502 -0.572 6.907 522 HA ILE 78 HA ILE 78 17.966 -1.901 6.214 523 HB ILE 78 HB ILE 78 18.510 -1.077 3.858 524 HG12 ILE 78 HG12 ILE 78 20.911 -0.434 4.762 525 HG13 ILE 78 HG13 ILE 78 20.136 0.515 3.499 526 HG21 ILE 78 HG21 ILE 78 17.789 0.810 6.088 527 HG22 ILE 78 HG22 ILE 78 17.637 1.222 4.381 528 HG23 ILE 78 HG23 ILE 78 16.699 -0.112 5.054 529 HD11 ILE 78 HD11 ILE 78 19.751 2.291 4.883 530 HD12 ILE 78 HD12 ILE 78 19.721 1.294 6.338 531 HD13 ILE 78 HD13 ILE 78 21.257 1.668 5.556 532 HA PRO 79 HA PRO 79 20.115 -5.475 4.839 533 HB2 PRO 79 HB2 PRO 79 18.529 -6.276 2.787 534 HB3 PRO 79 HB3 PRO 79 18.055 -6.427 4.483 535 HG2 PRO 79 HG2 PRO 79 17.291 -4.337 2.480 536 HG3 PRO 79 HG3 PRO 79 16.275 -5.167 3.674 537 HD2 PRO 79 HD2 PRO 79 17.235 -2.665 4.065 538 HD3 PRO 79 HD3 PRO 79 16.973 -3.806 5.399 539 H TYR 80 H TYR 80 19.547 -2.835 2.673 540 HA TYR 80 HA TYR 80 21.750 -3.790 0.966 541 HB2 TYR 80 HB2 TYR 80 20.606 -2.411 -0.866 542 HB3 TYR 80 HB3 TYR 80 19.856 -3.941 -0.428 543 HD1 TYR 80 HD2 TYR 80 19.676 -0.295 0.340 544 HD2 TYR 80 HD1 TYR 80 17.591 -3.995 0.079 545 HE1 TYR 80 HE2 TYR 80 17.557 0.876 0.771 546 HE2 TYR 80 HE1 TYR 80 15.465 -2.834 0.509 547 HH TYR 80 HH TYR 80 15.313 0.686 0.760 548 H LYS 81 H LYS 81 22.376 -1.687 -0.491 549 HA LYS 81 HA LYS 81 23.129 0.344 1.495 550 HB2 LYS 81 HB2 LYS 81 24.805 -1.058 -0.005 551 HB3 LYS 81 HB3 LYS 81 24.426 0.186 -1.189 552 HG2 LYS 81 HG2 LYS 81 25.526 1.804 -0.049 553 HG3 LYS 81 HG3 LYS 81 25.158 1.100 1.528 554 HD2 LYS 81 HD2 LYS 81 26.934 -0.373 1.431 555 HD3 LYS 81 HD3 LYS 81 27.004 -0.334 -0.332 556 HE2 LYS 81 HE2 LYS 81 28.759 1.028 -0.024 557 HE3 LYS 81 HE3 LYS 81 27.539 2.261 0.295 558 HZ1 LYS 81 HZ1 LYS 81 29.082 2.327 2.066 559 HZ2 LYS 81 HZ2 LYS 81 29.039 0.650 2.281 560 HZ3 LYS 81 HZ3 LYS 81 27.691 1.589 2.684 561 H ILE 82 H ILE 82 23.566 2.564 0.396 562 HA ILE 82 HA ILE 82 21.283 3.184 -1.364 563 HB ILE 82 HB ILE 82 22.449 4.972 0.773 564 HG12 ILE 82 HG12 ILE 82 19.949 4.603 1.598 565 HG13 ILE 82 HG13 ILE 82 20.136 3.087 0.724 566 HG21 ILE 82 HG21 ILE 82 20.358 5.344 -1.321 567 HG22 ILE 82 HG22 ILE 82 20.198 6.183 0.221 568 HG23 ILE 82 HG23 ILE 82 21.622 6.450 -0.784 569 HD11 ILE 82 HD11 ILE 82 21.305 3.963 3.261 570 HD12 ILE 82 HD12 ILE 82 20.918 2.342 2.681 571 HD13 ILE 82 HD13 ILE 82 22.416 3.125 2.177 572 H SER 83 H SER 83 21.944 3.777 -3.312 573 HA SER 83 HA SER 83 23.660 5.924 -3.811 574 HB2 SER 83 HB2 SER 83 25.611 4.812 -3.297 575 HB3 SER 83 HB3 SER 83 24.954 3.235 -3.734 576 HG SER 83 HG SER 83 25.754 5.296 -5.515 577 H THR 84 H THR 84 24.049 6.267 -6.107 578 HA THR 84 HA THR 84 21.820 5.434 -7.678 579 HB THR 84 HB THR 84 22.686 7.643 -8.041 580 HG1 THR 84 HG1 THR 84 23.544 6.273 -10.356 581 HG21 THR 84 HG21 THR 84 25.207 6.385 -7.795 582 HG22 THR 84 HG22 THR 84 24.863 8.106 -7.969 583 HG23 THR 84 HG23 THR 84 25.145 7.114 -9.399 584 H THR 85 H THR 85 24.733 3.957 -6.979 585 HA THR 85 HA THR 85 24.723 2.442 -9.505 586 HB THR 85 HB THR 85 27.015 1.881 -9.142 587 HG1 THR 85 HG1 THR 85 26.893 3.255 -6.650 588 HG21 THR 85 HG21 THR 85 27.091 4.719 -8.249 589 HG22 THR 85 HG22 THR 85 26.273 4.346 -9.767 590 HG23 THR 85 HG23 THR 85 27.971 3.921 -9.552 591 H THR 86 H THR 86 22.842 1.893 -7.454 592 HA THR 86 HA THR 86 23.766 -0.768 -6.583 593 HB THR 86 HB THR 86 21.950 1.146 -5.111 594 HG1 THR 86 HG1 THR 86 23.899 1.617 -4.370 595 HG21 THR 86 HG21 THR 86 22.146 -0.833 -3.374 596 HG22 THR 86 HG22 THR 86 22.349 -1.796 -4.838 597 HG23 THR 86 HG23 THR 86 20.891 -0.830 -4.612 598 H ASN 87 H ASN 87 22.362 -2.478 -6.823 599 HA ASN 87 HA ASN 87 19.923 -1.907 -8.372 600 HB2 ASN 87 HB2 ASN 87 21.624 -3.165 -9.629 601 HB3 ASN 87 HB3 ASN 87 21.630 -4.407 -8.380 602 HD21 ASN 87 HD21 ASN 87 21.184 -5.459 -10.646 603 HD22 ASN 87 HD22 ASN 87 19.514 -5.773 -10.961 604 H CYS 88 H CYS 88 18.379 -1.812 -6.810 605 HA CYS 88 HA CYS 88 18.280 -3.576 -4.578 606 HB2 CYS 88 HB2 CYS 88 16.529 -1.460 -5.721 607 HB3 CYS 88 HB3 CYS 88 15.778 -2.630 -4.640 608 H ASN 89 H ASN 89 17.426 -3.924 -7.835 609 HA ASN 89 HA ASN 89 15.243 -5.744 -7.505 610 HB2 ASN 89 HB2 ASN 89 17.007 -5.523 -9.942 611 HB3 ASN 89 HB3 ASN 89 15.322 -6.029 -9.863 612 HD21 ASN 89 HD21 ASN 89 13.850 -4.571 -10.349 613 HD22 ASN 89 HD22 ASN 89 14.085 -2.859 -10.367 614 H THR 90 H THR 90 18.673 -6.001 -7.419 615 HA THR 90 HA THR 90 18.617 -8.897 -7.803 616 HB THR 90 HB THR 90 21.196 -8.456 -7.270 617 HG1 THR 90 HG1 THR 90 21.812 -6.410 -7.958 618 HG21 THR 90 HG21 THR 90 19.579 -8.645 -9.635 619 HG22 THR 90 HG22 THR 90 21.225 -9.219 -9.364 620 HG23 THR 90 HG23 THR 90 20.947 -7.572 -9.931 621 H VAL 91 H VAL 91 17.586 -7.307 -5.392 622 HA VAL 91 HA VAL 91 19.294 -8.146 -3.228 623 HB VAL 91 HB VAL 91 16.499 -7.000 -3.179 624 HG11 VAL 91 HG11 VAL 91 16.917 -8.264 -1.163 625 HG12 VAL 91 HG12 VAL 91 18.472 -7.460 -0.945 626 HG13 VAL 91 HG13 VAL 91 16.974 -6.540 -0.799 627 HG21 VAL 91 HG21 VAL 91 19.087 -5.618 -2.511 628 HG22 VAL 91 HG22 VAL 91 18.352 -5.560 -4.113 629 HG23 VAL 91 HG23 VAL 91 17.492 -4.897 -2.723 630 H LYS 92 H LYS 92 19.327 -10.119 -2.400 631 HA LYS 92 HA LYS 92 17.115 -11.947 -2.940 632 HB2 LYS 92 HB2 LYS 92 19.960 -12.291 -2.055 633 HB3 LYS 92 HB3 LYS 92 18.798 -13.585 -1.794 634 HG2 LYS 92 HG2 LYS 92 19.214 -14.283 -3.851 635 HG3 LYS 92 HG3 LYS 92 18.455 -12.809 -4.455 636 HD2 LYS 92 HD2 LYS 92 20.502 -12.628 -5.456 637 HD3 LYS 92 HD3 LYS 92 20.839 -11.792 -3.938 638 HE2 LYS 92 HE2 LYS 92 22.027 -13.590 -3.068 639 HE3 LYS 92 HE3 LYS 92 21.287 -14.742 -4.178 640 HZ1 LYS 92 HZ1 LYS 92 23.322 -14.508 -5.133 641 HZ2 LYS 92 HZ2 LYS 92 23.525 -12.909 -4.620 642 HZ3 LYS 92 HZ3 LYS 92 22.517 -13.254 -5.935 643 H PHE 93 H PHE 93 15.534 -12.087 -1.502 644 HA PHE 93 HA PHE 93 14.376 -12.049 0.458 645 HB2 PHE 93 HB2 PHE 93 16.929 -13.434 1.100 646 HB3 PHE 93 HB3 PHE 93 15.908 -12.960 2.453 647 HD1 PHE 93 HD2 PHE 93 16.113 -15.034 -0.572 648 HD2 PHE 93 HD1 PHE 93 13.847 -14.068 2.898 649 HE1 PHE 93 HE2 PHE 93 14.727 -17.036 -0.924 650 HE2 PHE 93 HE1 PHE 93 12.457 -16.069 2.552 651 HZ PHE 93 HZ PHE 93 12.896 -17.555 0.638 Start of MODEL 20 1 H1 ALA 1 H ALA 1 2.629 -0.884 1.213 2 HA ALA 1 HA ALA 1 2.820 -0.704 -1.050 3 HB1 ALA 1 HB1 ALA 1 0.212 0.692 -0.609 4 HB2 ALA 1 HB2 ALA 1 0.955 0.670 -2.208 5 HB3 ALA 1 HB3 ALA 1 0.537 -0.846 -1.409 6 H ILE 2 H ILE 2 4.778 0.458 -0.774 7 HA ILE 2 HA ILE 2 4.805 3.315 -0.592 8 HB ILE 2 HB ILE 2 7.012 1.381 -1.307 9 HG12 ILE 2 HG12 ILE 2 7.711 2.240 1.096 10 HG13 ILE 2 HG13 ILE 2 5.983 2.543 1.248 11 HG21 ILE 2 HG21 ILE 2 8.354 3.495 -0.450 12 HG22 ILE 2 HG22 ILE 2 7.889 3.311 -2.141 13 HG23 ILE 2 HG23 ILE 2 6.935 4.339 -1.071 14 HD11 ILE 2 HD11 ILE 2 6.876 0.316 2.090 15 HD12 ILE 2 HD12 ILE 2 5.457 0.278 1.043 16 HD13 ILE 2 HD13 ILE 2 7.045 -0.123 0.390 17 H SER 3 H SER 3 4.306 4.637 -2.199 18 HA SER 3 HA SER 3 4.542 3.713 -4.962 19 HB2 SER 3 HB2 SER 3 2.433 4.650 -4.701 20 HB3 SER 3 HB3 SER 3 3.012 5.900 -3.600 21 HG SER 3 HG SER 3 2.552 6.797 -5.621 22 H CYS 4 H CYS 4 4.963 6.949 -3.555 23 HA CYS 4 HA CYS 4 7.720 7.172 -4.056 24 HB2 CYS 4 HB2 CYS 4 6.306 7.225 -6.417 25 HB3 CYS 4 HB3 CYS 4 6.470 8.936 -6.036 26 H GLY 5 H GLY 5 4.611 8.834 -3.906 27 HA2 GLY 5 HA2 GLY 5 5.485 11.392 -3.229 28 HA3 GLY 5 HA3 GLY 5 3.945 10.697 -2.744 29 H ALA 6 H ALA 6 4.992 8.565 -1.172 30 HA ALA 6 HA ALA 6 5.387 9.954 1.283 31 HB1 ALA 6 HB1 ALA 6 5.133 7.123 0.448 32 HB2 ALA 6 HB2 ALA 6 5.918 7.444 1.995 33 HB3 ALA 6 HB3 ALA 6 4.277 8.018 1.703 34 H VAL 7 H VAL 7 7.500 8.437 -1.038 35 HA VAL 7 HA VAL 7 9.787 8.297 0.677 36 HB VAL 7 HB VAL 7 9.783 8.314 -2.340 37 HG11 VAL 7 HG11 VAL 7 11.853 8.221 -0.447 38 HG12 VAL 7 HG12 VAL 7 11.702 6.586 -1.094 39 HG13 VAL 7 HG13 VAL 7 11.967 7.946 -2.185 40 HG21 VAL 7 HG21 VAL 7 9.481 5.951 -0.489 41 HG22 VAL 7 HG22 VAL 7 8.199 6.639 -1.485 42 HG23 VAL 7 HG23 VAL 7 9.602 5.892 -2.247 43 H THR 8 H THR 8 8.662 10.546 -1.817 44 HA THR 8 HA THR 8 10.933 12.224 -1.791 45 HB THR 8 HB THR 8 8.100 13.016 -2.492 46 HG1 THR 8 HG1 THR 8 9.270 11.112 -3.602 47 HG21 THR 8 HG21 THR 8 10.693 14.354 -2.629 48 HG22 THR 8 HG22 THR 8 9.066 15.026 -2.738 49 HG23 THR 8 HG23 THR 8 9.833 14.337 -4.168 50 H SER 9 H SER 9 8.159 11.981 0.280 51 HA SER 9 HA SER 9 8.194 14.556 1.411 52 HB2 SER 9 HB2 SER 9 6.268 13.463 2.007 53 HB3 SER 9 HB3 SER 9 7.077 11.906 2.181 54 HG SER 9 HG SER 9 6.745 12.435 4.230 55 H ASP 10 H ASP 10 9.660 11.519 2.556 56 HA ASP 10 HA ASP 10 11.043 12.821 4.706 57 HB2 ASP 10 HB2 ASP 10 11.802 10.113 3.664 58 HB3 ASP 10 HB3 ASP 10 11.794 10.704 5.323 59 H LEU 11 H LEU 11 11.613 12.469 1.389 60 HA LEU 11 HA LEU 11 14.467 12.389 1.442 61 HB2 LEU 11 HB2 LEU 11 12.381 12.857 -0.632 62 HB3 LEU 11 HB3 LEU 11 14.045 13.315 -0.986 63 HG LEU 11 HG LEU 11 13.252 10.538 -0.132 64 HD11 LEU 11 HD11 LEU 11 13.706 10.143 -2.677 65 HD12 LEU 11 HD12 LEU 11 13.217 11.832 -2.816 66 HD13 LEU 11 HD13 LEU 11 12.111 10.649 -2.119 67 HD21 LEU 11 HD21 LEU 11 15.436 10.157 -0.122 68 HD22 LEU 11 HD22 LEU 11 15.733 11.857 -0.490 69 HD23 LEU 11 HD23 LEU 11 15.551 10.690 -1.800 70 H SER 12 H SER 12 12.043 14.937 1.252 71 HA SER 12 HA SER 12 13.653 17.095 0.578 72 HB2 SER 12 HB2 SER 12 11.035 16.842 1.102 73 HB3 SER 12 HB3 SER 12 11.549 17.559 2.629 74 HG SER 12 HG SER 12 11.180 19.288 1.389 75 HA PRO 13 HA PRO 13 14.471 17.767 5.306 76 HB2 PRO 13 HB2 PRO 13 13.915 15.678 6.948 77 HB3 PRO 13 HB3 PRO 13 12.735 16.935 6.560 78 HG2 PRO 13 HG2 PRO 13 13.034 14.194 5.396 79 HG3 PRO 13 HG3 PRO 13 11.558 15.049 5.878 80 HD2 PRO 13 HD2 PRO 13 12.366 14.878 3.299 81 HD3 PRO 13 HD3 PRO 13 11.488 16.285 3.933 82 H CYS 14 H CYS 14 14.946 14.609 3.860 83 HA CYS 14 HA CYS 14 17.384 14.088 5.320 84 HB2 CYS 14 HB2 CYS 14 15.886 12.662 3.139 85 HB3 CYS 14 HB3 CYS 14 17.518 12.170 3.579 86 H LEU 15 H LEU 15 16.502 15.809 2.528 87 HA LEU 15 HA LEU 15 18.810 15.458 0.942 88 HB2 LEU 15 HB2 LEU 15 16.578 17.397 1.076 89 HB3 LEU 15 HB3 LEU 15 18.038 17.920 0.239 90 HG LEU 15 HG LEU 15 16.350 15.516 -0.451 91 HD11 LEU 15 HD11 LEU 15 16.770 18.123 -1.905 92 HD12 LEU 15 HD12 LEU 15 15.313 17.656 -1.028 93 HD13 LEU 15 HD13 LEU 15 15.802 16.760 -2.466 94 HD21 LEU 15 HD21 LEU 15 17.870 15.612 -2.529 95 HD22 LEU 15 HD22 LEU 15 18.507 14.886 -1.053 96 HD23 LEU 15 HD23 LEU 15 18.968 16.530 -1.498 97 H THR 16 H THR 16 17.942 17.944 3.329 98 HA THR 16 HA THR 16 20.139 19.591 3.139 99 HB THR 16 HB THR 16 18.854 18.822 5.762 100 HG1 THR 16 HG1 THR 16 18.010 20.733 3.819 101 HG21 THR 16 HG21 THR 16 20.946 20.289 5.689 102 HG22 THR 16 HG22 THR 16 19.547 20.930 6.551 103 HG23 THR 16 HG23 THR 16 19.924 21.506 4.927 104 H TYR 17 H TYR 17 19.852 16.503 4.809 105 HA TYR 17 HA TYR 17 22.525 16.694 5.909 106 HB2 TYR 17 HB2 TYR 17 20.690 15.590 7.162 107 HB3 TYR 17 HB3 TYR 17 20.605 14.356 5.911 108 HD1 TYR 17 HD2 TYR 17 23.210 15.939 8.083 109 HD2 TYR 17 HD1 TYR 17 21.660 12.365 6.373 110 HE1 TYR 17 HE2 TYR 17 24.933 14.636 9.260 111 HE2 TYR 17 HE1 TYR 17 23.377 11.051 7.546 112 HH TYR 17 HH TYR 17 26.061 12.495 9.086 113 H LEU 18 H LEU 18 20.863 15.018 3.300 114 HA LEU 18 HA LEU 18 23.049 13.341 2.586 115 HB2 LEU 18 HB2 LEU 18 20.470 14.131 1.316 116 HB3 LEU 18 HB3 LEU 18 21.695 13.323 0.340 117 HG LEU 18 HG LEU 18 20.412 12.214 2.837 118 HD11 LEU 18 HD11 LEU 18 19.120 12.422 0.565 119 HD12 LEU 18 HD12 LEU 18 19.042 10.938 1.515 120 HD13 LEU 18 HD13 LEU 18 20.114 11.035 0.118 121 HD21 LEU 18 HD21 LEU 18 22.872 11.582 1.607 122 HD22 LEU 18 HD22 LEU 18 21.748 10.281 1.216 123 HD23 LEU 18 HD23 LEU 18 22.044 10.714 2.900 124 H THR 19 H THR 19 22.569 16.636 2.281 125 HA THR 19 HA THR 19 24.134 16.894 -0.173 126 HB THR 19 HB THR 19 23.774 19.410 0.329 127 HG1 THR 19 HG1 THR 19 21.516 18.557 1.762 128 HG21 THR 19 HG21 THR 19 22.440 17.644 -1.214 129 HG22 THR 19 HG22 THR 19 22.033 19.357 -1.119 130 HG23 THR 19 HG23 THR 19 21.133 18.183 -0.160 131 H GLY 20 H GLY 20 24.599 16.796 3.180 132 HA2 GLY 20 HA2 GLY 20 26.900 16.650 3.959 133 HA3 GLY 20 HA3 GLY 20 27.297 17.944 2.839 134 H GLY 21 H GLY 21 24.340 18.572 4.263 135 HA2 GLY 21 HA2 GLY 21 25.512 20.670 5.886 136 HA3 GLY 21 HA3 GLY 21 23.801 20.428 5.566 137 HA PRO 22 HA PRO 22 24.618 19.235 9.966 138 HB2 PRO 22 HB2 PRO 22 22.456 20.540 10.962 139 HB3 PRO 22 HB3 PRO 22 24.020 21.324 10.711 140 HG2 PRO 22 HG2 PRO 22 21.573 21.382 8.988 141 HG3 PRO 22 HG3 PRO 22 22.660 22.711 9.432 142 HD2 PRO 22 HD2 PRO 22 22.799 21.453 7.038 143 HD3 PRO 22 HD3 PRO 22 24.229 22.123 7.849 144 H GLY 23 H GLY 23 23.747 17.471 10.918 145 HA2 GLY 23 HA2 GLY 23 21.179 16.650 11.163 146 HA3 GLY 23 HA3 GLY 23 21.604 16.103 9.548 147 HA PRO 24 HA PRO 24 20.696 14.304 9.340 148 HB2 PRO 24 HB2 PRO 24 19.351 12.182 10.367 149 HB3 PRO 24 HB3 PRO 24 20.737 12.008 9.285 150 HG2 PRO 24 HG2 PRO 24 20.627 11.804 12.269 151 HG3 PRO 24 HG3 PRO 24 21.491 10.778 11.109 152 HD2 PRO 24 HD2 PRO 24 22.723 12.724 12.532 153 HD3 PRO 24 HD3 PRO 24 23.232 12.272 10.892 154 H SER 25 H SER 25 18.806 15.374 9.475 155 HA SER 25 HA SER 25 18.025 16.637 11.868 156 HB2 SER 25 HB2 SER 25 16.501 17.774 10.583 157 HB3 SER 25 HB3 SER 25 17.540 17.167 9.294 158 HG SER 25 HG SER 25 15.772 16.298 8.570 159 HA PRO 26 HA PRO 26 15.262 13.860 13.840 160 HB2 PRO 26 HB2 PRO 26 13.222 15.477 14.610 161 HB3 PRO 26 HB3 PRO 26 14.819 15.519 15.367 162 HG2 PRO 26 HG2 PRO 26 13.667 17.321 13.272 163 HG3 PRO 26 HG3 PRO 26 14.626 17.739 14.704 164 HD2 PRO 26 HD2 PRO 26 15.699 17.601 12.223 165 HD3 PRO 26 HD3 PRO 26 16.619 17.193 13.685 166 H GLN 27 H GLN 27 13.585 16.066 11.607 167 HA GLN 27 HA GLN 27 11.294 14.457 11.260 168 HB2 GLN 27 HB2 GLN 27 12.512 16.755 9.795 169 HB3 GLN 27 HB3 GLN 27 11.241 15.834 9.001 170 HG2 GLN 27 HG2 GLN 27 9.691 16.910 10.147 171 HG3 GLN 27 HG3 GLN 27 10.433 16.426 11.671 172 HE21 GLN 27 HE21 GLN 27 10.687 18.127 12.917 173 HE22 GLN 27 HE22 GLN 27 11.248 19.684 12.419 174 H CYS 28 H CYS 28 14.402 14.571 9.624 175 HA CYS 28 HA CYS 28 13.727 12.930 7.429 176 HB2 CYS 28 HB2 CYS 28 15.712 14.188 7.219 177 HB3 CYS 28 HB3 CYS 28 16.334 13.622 8.766 178 H CYS 29 H CYS 29 15.316 12.165 10.522 179 HA CYS 29 HA CYS 29 15.718 9.459 10.164 180 HB2 CYS 29 HB2 CYS 29 15.091 11.073 12.629 181 HB3 CYS 29 HB3 CYS 29 15.394 9.341 12.713 182 H GLY 30 H GLY 30 12.842 11.049 11.544 183 HA2 GLY 30 HA2 GLY 30 11.328 8.783 12.072 184 HA3 GLY 30 HA3 GLY 30 10.657 10.357 11.671 185 H GLY 31 H GLY 31 11.500 10.660 9.057 186 HA2 GLY 31 HA2 GLY 31 9.567 9.107 7.679 187 HA3 GLY 31 HA3 GLY 31 10.740 10.186 6.940 188 H VAL 32 H VAL 32 13.103 8.952 7.815 189 HA VAL 32 HA VAL 32 13.549 7.070 5.827 190 HB VAL 32 HB VAL 32 15.046 7.346 8.437 191 HG11 VAL 32 HG11 VAL 32 15.598 5.852 5.909 192 HG12 VAL 32 HG12 VAL 32 16.936 6.491 6.865 193 HG13 VAL 32 HG13 VAL 32 15.809 5.340 7.583 194 HG21 VAL 32 HG21 VAL 32 14.812 9.092 6.185 195 HG22 VAL 32 HG22 VAL 32 15.747 9.308 7.664 196 HG23 VAL 32 HG23 VAL 32 16.463 8.480 6.282 197 H LYS 33 H LYS 33 13.282 6.407 9.325 198 HA LYS 33 HA LYS 33 13.239 3.626 9.128 199 HB2 LYS 33 HB2 LYS 33 12.257 5.574 11.183 200 HB3 LYS 33 HB3 LYS 33 11.903 3.861 11.367 201 HG2 LYS 33 HG2 LYS 33 14.243 3.325 11.410 202 HG3 LYS 33 HG3 LYS 33 14.672 4.997 11.044 203 HD2 LYS 33 HD2 LYS 33 14.248 5.713 13.164 204 HD3 LYS 33 HD3 LYS 33 12.971 4.523 13.427 205 HE2 LYS 33 HE2 LYS 33 15.451 3.156 13.082 206 HE3 LYS 33 HE3 LYS 33 15.668 4.430 14.282 207 HZ1 LYS 33 HZ1 LYS 33 14.731 3.057 15.728 208 HZ2 LYS 33 HZ2 LYS 33 14.292 1.956 14.523 209 HZ3 LYS 33 HZ3 LYS 33 13.267 3.246 14.902 210 H LYS 34 H LYS 34 10.792 5.951 8.445 211 HA LYS 34 HA LYS 34 8.553 4.185 8.707 212 HB2 LYS 34 HB2 LYS 34 8.556 6.757 8.778 213 HB3 LYS 34 HB3 LYS 34 8.612 6.679 7.022 214 HG2 LYS 34 HG2 LYS 34 6.383 6.707 7.167 215 HG3 LYS 34 HG3 LYS 34 6.551 4.995 7.561 216 HD2 LYS 34 HD2 LYS 34 6.358 5.406 9.875 217 HD3 LYS 34 HD3 LYS 34 6.611 7.140 9.668 218 HE2 LYS 34 HE2 LYS 34 4.393 7.348 9.680 219 HE3 LYS 34 HE3 LYS 34 4.402 6.586 8.090 220 HZ1 LYS 34 HZ1 LYS 34 3.940 4.502 9.016 221 HZ2 LYS 34 HZ2 LYS 34 2.911 5.565 9.837 222 HZ3 LYS 34 HZ3 LYS 34 4.319 5.002 10.588 223 H LEU 35 H LEU 35 10.592 5.281 6.038 224 HA LEU 35 HA LEU 35 9.114 4.067 3.963 225 HB2 LEU 35 HB2 LEU 35 10.898 5.840 3.750 226 HB3 LEU 35 HB3 LEU 35 12.084 4.556 3.975 227 HG LEU 35 HG LEU 35 10.064 4.425 1.761 228 HD11 LEU 35 HD11 LEU 35 10.960 6.380 1.052 229 HD12 LEU 35 HD12 LEU 35 12.222 5.300 0.461 230 HD13 LEU 35 HD13 LEU 35 12.444 6.168 1.980 231 HD21 LEU 35 HD21 LEU 35 12.279 3.288 0.816 232 HD22 LEU 35 HD22 LEU 35 11.097 2.403 1.780 233 HD23 LEU 35 HD23 LEU 35 12.561 3.031 2.538 234 H LEU 36 H LEU 36 11.691 2.906 6.057 235 HA LEU 36 HA LEU 36 11.938 0.399 4.643 236 HB2 LEU 36 HB2 LEU 36 13.040 1.067 7.359 237 HB3 LEU 36 HB3 LEU 36 13.608 -0.164 6.232 238 HG LEU 36 HG LEU 36 13.819 2.813 5.785 239 HD11 LEU 36 HD11 LEU 36 15.599 0.845 7.100 240 HD12 LEU 36 HD12 LEU 36 15.388 2.568 7.406 241 HD13 LEU 36 HD13 LEU 36 16.347 2.029 6.028 242 HD21 LEU 36 HD21 LEU 36 15.539 1.912 4.077 243 HD22 LEU 36 HD22 LEU 36 13.823 1.862 3.671 244 HD23 LEU 36 HD23 LEU 36 14.643 0.399 4.219 245 H ALA 37 H ALA 37 10.138 1.668 7.311 246 HA ALA 37 HA ALA 37 9.490 -0.878 8.473 247 HB1 ALA 37 HB1 ALA 37 9.426 0.867 10.009 248 HB2 ALA 37 HB2 ALA 37 8.538 1.928 8.915 249 HB3 ALA 37 HB3 ALA 37 7.722 0.560 9.671 250 H ALA 38 H ALA 38 7.973 1.348 6.206 251 HA ALA 38 HA ALA 38 5.505 -0.122 6.084 252 HB1 ALA 38 HB1 ALA 38 6.628 2.146 4.459 253 HB2 ALA 38 HB2 ALA 38 5.069 1.398 4.110 254 HB3 ALA 38 HB3 ALA 38 5.337 2.196 5.660 255 H ALA 39 H ALA 39 8.530 -0.780 4.956 256 HA ALA 39 HA ALA 39 7.461 -2.384 2.726 257 HB1 ALA 39 HB1 ALA 39 8.827 -0.500 1.913 258 HB2 ALA 39 HB2 ALA 39 10.194 -1.115 2.843 259 HB3 ALA 39 HB3 ALA 39 9.530 -2.068 1.516 260 H ASN 40 H ASN 40 7.194 -4.053 4.366 261 HA ASN 40 HA ASN 40 9.543 -5.145 5.630 262 HB2 ASN 40 HB2 ASN 40 7.554 -5.362 6.894 263 HB3 ASN 40 HB3 ASN 40 6.651 -5.988 5.518 264 HD21 ASN 40 HD21 ASN 40 6.189 -8.041 5.743 265 HD22 ASN 40 HD22 ASN 40 7.197 -9.246 6.461 266 H THR 41 H THR 41 7.479 -5.940 2.888 267 HA THR 41 HA THR 41 8.929 -8.385 2.327 268 HB THR 41 HB THR 41 7.415 -8.716 0.501 269 HG1 THR 41 HG1 THR 41 6.070 -7.090 -0.245 270 HG21 THR 41 HG21 THR 41 6.489 -9.150 2.724 271 HG22 THR 41 HG22 THR 41 5.238 -8.578 1.620 272 HG23 THR 41 HG23 THR 41 5.923 -7.482 2.819 273 H THR 42 H THR 42 9.227 -8.521 -0.316 274 HA THR 42 HA THR 42 11.471 -6.767 -0.792 275 HB THR 42 HB THR 42 10.490 -8.599 -2.926 276 HG1 THR 42 HG1 THR 42 10.836 -10.375 -1.791 277 HG21 THR 42 HG21 THR 42 13.260 -8.333 -1.787 278 HG22 THR 42 HG22 THR 42 12.622 -7.174 -2.953 279 HG23 THR 42 HG23 THR 42 12.775 -8.874 -3.393 280 HA PRO 43 HA PRO 43 8.408 -5.791 -4.616 281 HB2 PRO 43 HB2 PRO 43 5.982 -5.914 -2.885 282 HB3 PRO 43 HB3 PRO 43 6.164 -6.311 -4.597 283 HG2 PRO 43 HG2 PRO 43 5.996 -8.225 -2.730 284 HG3 PRO 43 HG3 PRO 43 7.031 -8.405 -4.158 285 HD2 PRO 43 HD2 PRO 43 7.763 -7.891 -1.343 286 HD3 PRO 43 HD3 PRO 43 8.672 -8.720 -2.623 287 H ASP 44 H ASP 44 7.435 -4.916 -1.298 288 HA ASP 44 HA ASP 44 6.799 -2.232 -1.890 289 HB2 ASP 44 HB2 ASP 44 7.267 -3.818 0.584 290 HB3 ASP 44 HB3 ASP 44 7.358 -2.064 0.720 291 H ARG 45 H ARG 45 9.729 -3.712 -0.527 292 HA ARG 45 HA ARG 45 11.183 -1.331 -0.201 293 HB2 ARG 45 HB2 ARG 45 11.849 -4.227 -0.340 294 HB3 ARG 45 HB3 ARG 45 13.167 -3.084 -0.561 295 HG2 ARG 45 HG2 ARG 45 11.664 -2.232 1.680 296 HG3 ARG 45 HG3 ARG 45 11.960 -3.963 1.850 297 HD2 ARG 45 HD2 ARG 45 13.835 -3.032 2.840 298 HD3 ARG 45 HD3 ARG 45 14.392 -3.366 1.201 299 HE ARG 45 HE ARG 45 13.337 -0.712 1.568 300 HH11 ARG 45 HH11 ARG 45 16.161 -2.738 1.760 301 HH12 ARG 45 HH12 ARG 45 17.276 -1.423 1.592 302 HH21 ARG 45 HH21 ARG 45 14.794 1.028 1.346 303 HH22 ARG 45 HH22 ARG 45 16.498 0.719 1.357 304 H GLN 46 H GLN 46 10.610 -3.352 -2.983 305 HA GLN 46 HA GLN 46 12.709 -2.401 -4.615 306 HB2 GLN 46 HB2 GLN 46 10.170 -3.883 -5.050 307 HB3 GLN 46 HB3 GLN 46 10.895 -3.104 -6.450 308 HG2 GLN 46 HG2 GLN 46 12.980 -4.319 -6.038 309 HG3 GLN 46 HG3 GLN 46 12.233 -5.113 -4.653 310 HE21 GLN 46 HE21 GLN 46 12.021 -7.166 -5.229 311 HE22 GLN 46 HE22 GLN 46 11.264 -7.731 -6.675 312 H ALA 47 H ALA 47 9.285 -1.458 -4.399 313 HA ALA 47 HA ALA 47 9.302 0.533 -6.344 314 HB1 ALA 47 HB1 ALA 47 7.171 0.093 -5.698 315 HB2 ALA 47 HB2 ALA 47 7.606 -0.095 -3.998 316 HB3 ALA 47 HB3 ALA 47 7.456 1.517 -4.698 317 H ALA 48 H ALA 48 9.622 0.963 -2.814 318 HA ALA 48 HA ALA 48 10.158 3.687 -2.819 319 HB1 ALA 48 HB1 ALA 48 10.808 3.457 -0.598 320 HB2 ALA 48 HB2 ALA 48 9.722 2.090 -0.847 321 HB3 ALA 48 HB3 ALA 48 11.468 1.842 -0.856 322 H CYS 49 H CYS 49 12.511 1.006 -2.750 323 HA CYS 49 HA CYS 49 14.856 2.419 -2.771 324 HB2 CYS 49 HB2 CYS 49 14.049 -0.214 -3.928 325 HB3 CYS 49 HB3 CYS 49 15.640 0.427 -4.326 326 H ASN 50 H ASN 50 12.750 1.703 -5.513 327 HA ASN 50 HA ASN 50 14.439 2.683 -7.539 328 HB2 ASN 50 HB2 ASN 50 11.415 2.559 -7.457 329 HB3 ASN 50 HB3 ASN 50 12.382 2.820 -8.906 330 HD21 ASN 50 HD21 ASN 50 10.504 0.686 -8.265 331 HD22 ASN 50 HD22 ASN 50 11.392 -0.790 -8.403 332 H CYS 51 H CYS 51 11.956 4.256 -5.569 333 HA CYS 51 HA CYS 51 12.135 6.772 -6.893 334 HB2 CYS 51 HB2 CYS 51 10.979 5.919 -4.240 335 HB3 CYS 51 HB3 CYS 51 10.936 7.590 -4.794 336 H LEU 52 H LEU 52 13.672 5.356 -4.061 337 HA LEU 52 HA LEU 52 14.916 7.745 -3.159 338 HB2 LEU 52 HB2 LEU 52 15.154 4.849 -2.573 339 HB3 LEU 52 HB3 LEU 52 16.509 5.881 -2.119 340 HG LEU 52 HG LEU 52 13.661 6.226 -1.183 341 HD11 LEU 52 HD11 LEU 52 16.052 5.286 0.384 342 HD12 LEU 52 HD12 LEU 52 14.850 4.203 -0.315 343 HD13 LEU 52 HD13 LEU 52 14.373 5.369 0.919 344 HD21 LEU 52 HD21 LEU 52 15.122 7.657 0.527 345 HD22 LEU 52 HD22 LEU 52 14.443 8.342 -0.950 346 HD23 LEU 52 HD23 LEU 52 16.132 7.833 -0.907 347 H LYS 53 H LYS 53 16.163 4.940 -4.966 348 HA LYS 53 HA LYS 53 18.765 5.758 -5.343 349 HB2 LYS 53 HB2 LYS 53 17.413 3.613 -6.132 350 HB3 LYS 53 HB3 LYS 53 17.353 4.499 -7.649 351 HG2 LYS 53 HG2 LYS 53 19.563 4.236 -8.052 352 HG3 LYS 53 HG3 LYS 53 19.994 4.293 -6.341 353 HD2 LYS 53 HD2 LYS 53 20.419 2.077 -7.160 354 HD3 LYS 53 HD3 LYS 53 19.020 2.015 -6.086 355 HE2 LYS 53 HE2 LYS 53 18.280 2.519 -8.850 356 HE3 LYS 53 HE3 LYS 53 19.168 1.008 -8.659 357 HZ1 LYS 53 HZ1 LYS 53 17.544 0.586 -6.746 358 HZ2 LYS 53 HZ2 LYS 53 16.969 0.407 -8.326 359 HZ3 LYS 53 HZ3 LYS 53 16.599 1.803 -7.445 360 H SER 54 H SER 54 15.899 6.642 -7.220 361 HA SER 54 HA SER 54 17.322 8.170 -9.157 362 HB2 SER 54 HB2 SER 54 14.957 9.139 -9.569 363 HB3 SER 54 HB3 SER 54 15.215 7.422 -9.876 364 HG SER 54 HG SER 54 13.304 8.124 -8.558 365 H ALA 55 H ALA 55 15.928 8.854 -6.032 366 HA ALA 55 HA ALA 55 16.004 11.700 -6.275 367 HB1 ALA 55 HB1 ALA 55 15.795 9.915 -3.856 368 HB2 ALA 55 HB2 ALA 55 15.640 11.672 -3.820 369 HB3 ALA 55 HB3 ALA 55 14.472 10.701 -4.718 370 H ALA 56 H ALA 56 17.976 9.423 -4.359 371 HA ALA 56 HA ALA 56 19.906 11.336 -3.602 372 HB1 ALA 56 HB1 ALA 56 19.446 9.091 -2.520 373 HB2 ALA 56 HB2 ALA 56 20.415 8.381 -3.812 374 HB3 ALA 56 HB3 ALA 56 21.141 9.543 -2.702 375 H GLY 57 H GLY 57 19.422 9.577 -6.517 376 HA2 GLY 57 HA2 GLY 57 22.094 9.536 -7.468 377 HA3 GLY 57 HA3 GLY 57 20.646 9.391 -8.453 378 H SER 58 H SER 58 19.863 12.086 -7.102 379 HA SER 58 HA SER 58 21.261 13.729 -9.095 380 HB2 SER 58 HB2 SER 58 18.712 13.552 -9.081 381 HB3 SER 58 HB3 SER 58 18.758 14.499 -7.594 382 HG SER 58 HG SER 58 18.904 16.177 -8.831 383 H ILE 59 H ILE 59 22.189 12.948 -6.332 384 HA ILE 59 HA ILE 59 22.238 15.507 -4.945 385 HB ILE 59 HB ILE 59 23.477 12.860 -4.182 386 HG12 ILE 59 HG12 ILE 59 20.989 12.882 -4.231 387 HG13 ILE 59 HG13 ILE 59 21.642 12.649 -2.613 388 HG21 ILE 59 HG21 ILE 59 24.714 14.635 -3.161 389 HG22 ILE 59 HG22 ILE 59 23.231 15.455 -2.673 390 HG23 ILE 59 HG23 ILE 59 23.672 13.917 -1.932 391 HD11 ILE 59 HD11 ILE 59 20.643 14.477 -1.852 392 HD12 ILE 59 HD12 ILE 59 21.184 15.444 -3.224 393 HD13 ILE 59 HD13 ILE 59 19.720 14.468 -3.355 394 H THR 60 H THR 60 23.684 16.968 -5.552 395 HA THR 60 HA THR 60 25.912 16.509 -7.166 396 HB THR 60 HB THR 60 25.077 18.730 -7.055 397 HG1 THR 60 HG1 THR 60 27.167 19.092 -7.342 398 HG21 THR 60 HG21 THR 60 24.925 18.198 -4.237 399 HG22 THR 60 HG22 THR 60 24.172 19.493 -5.167 400 HG23 THR 60 HG23 THR 60 25.798 19.703 -4.517 401 H LYS 61 H LYS 61 27.736 15.474 -6.736 402 HA LYS 61 HA LYS 61 29.521 14.587 -5.640 403 HB2 LYS 61 HB2 LYS 61 29.064 17.146 -4.143 404 HB3 LYS 61 HB3 LYS 61 30.300 16.018 -3.600 405 HG2 LYS 61 HG2 LYS 61 30.888 16.193 -6.238 406 HG3 LYS 61 HG3 LYS 61 30.266 17.813 -5.918 407 HD2 LYS 61 HD2 LYS 61 31.899 18.229 -4.276 408 HD3 LYS 61 HD3 LYS 61 32.328 16.521 -4.153 409 HE2 LYS 61 HE2 LYS 61 33.243 16.594 -6.423 410 HE3 LYS 61 HE3 LYS 61 32.812 18.299 -6.543 411 HZ1 LYS 61 HZ1 LYS 61 34.650 17.220 -4.482 412 HZ2 LYS 61 HZ2 LYS 61 34.362 18.845 -4.852 413 HZ3 LYS 61 HZ3 LYS 61 35.176 17.857 -5.958 414 H LEU 62 H LEU 62 27.206 13.309 -5.061 415 HA LEU 62 HA LEU 62 26.358 13.095 -2.451 416 HB2 LEU 62 HB2 LEU 62 25.244 11.924 -4.220 417 HB3 LEU 62 HB3 LEU 62 26.678 10.953 -4.543 418 HG LEU 62 HG LEU 62 26.249 10.215 -2.015 419 HD11 LEU 62 HD11 LEU 62 23.435 10.144 -2.733 420 HD12 LEU 62 HD12 LEU 62 24.029 11.783 -2.466 421 HD13 LEU 62 HD13 LEU 62 24.205 10.565 -1.203 422 HD21 LEU 62 HD21 LEU 62 26.224 8.340 -3.210 423 HD22 LEU 62 HD22 LEU 62 25.609 9.176 -4.635 424 HD23 LEU 62 HD23 LEU 62 24.488 8.579 -3.410 425 H ASN 63 H ASN 63 27.037 12.067 -0.625 426 HA ASN 63 HA ASN 63 29.768 10.972 -0.696 427 HB2 ASN 63 HB2 ASN 63 29.033 13.071 0.744 428 HB3 ASN 63 HB3 ASN 63 28.482 11.826 1.861 429 HD21 ASN 63 HD21 ASN 63 30.879 13.845 1.449 430 HD22 ASN 63 HD22 ASN 63 32.219 12.916 2.022 431 H THR 64 H THR 64 29.594 8.818 -0.882 432 HA THR 64 HA THR 64 27.509 7.194 -0.065 433 HB THR 64 HB THR 64 29.249 5.334 -0.014 434 HG1 THR 64 HG1 THR 64 31.318 5.843 -0.393 435 HG21 THR 64 HG21 THR 64 28.187 6.846 -2.172 436 HG22 THR 64 HG22 THR 64 28.661 5.148 -2.153 437 HG23 THR 64 HG23 THR 64 29.836 6.387 -2.592 438 H ASN 65 H ASN 65 30.269 8.364 1.763 439 HA ASN 65 HA ASN 65 29.946 6.663 4.005 440 HB2 ASN 65 HB2 ASN 65 31.330 9.312 3.609 441 HB3 ASN 65 HB3 ASN 65 31.297 8.505 5.174 442 HD21 ASN 65 HD21 ASN 65 33.152 7.548 5.544 443 HD22 ASN 65 HD22 ASN 65 34.089 6.657 4.399 444 H ASN 66 H ASN 66 28.780 9.924 3.259 445 HA ASN 66 HA ASN 66 27.519 10.336 5.774 446 HB2 ASN 66 HB2 ASN 66 26.937 11.672 3.122 447 HB3 ASN 66 HB3 ASN 66 26.464 12.266 4.711 448 HD21 ASN 66 HD21 ASN 66 27.772 14.014 3.314 449 HD22 ASN 66 HD22 ASN 66 29.421 14.166 3.805 450 H ALA 67 H ALA 67 26.405 9.155 2.637 451 HA ALA 67 HA ALA 67 23.664 9.061 3.159 452 HB1 ALA 67 HB1 ALA 67 24.108 8.697 0.948 453 HB2 ALA 67 HB2 ALA 67 25.485 7.646 1.282 454 HB3 ALA 67 HB3 ALA 67 23.843 7.036 1.479 455 H ALA 68 H ALA 68 26.224 6.742 3.890 456 HA ALA 68 HA ALA 68 24.427 4.742 4.888 457 HB1 ALA 68 HB1 ALA 68 26.725 3.900 5.877 458 HB2 ALA 68 HB2 ALA 68 26.348 3.745 4.161 459 HB3 ALA 68 HB3 ALA 68 27.377 5.062 4.722 460 H ALA 69 H ALA 69 26.149 7.455 6.223 461 HA ALA 69 HA ALA 69 25.933 6.660 8.960 462 HB1 ALA 69 HB1 ALA 69 27.658 8.217 8.224 463 HB2 ALA 69 HB2 ALA 69 26.420 9.390 7.773 464 HB3 ALA 69 HB3 ALA 69 26.639 8.945 9.465 465 H LEU 70 H LEU 70 23.854 8.262 6.698 466 HA LEU 70 HA LEU 70 22.185 9.701 8.397 467 HB2 LEU 70 HB2 LEU 70 21.722 10.145 6.214 468 HB3 LEU 70 HB3 LEU 70 21.920 8.466 5.717 469 HG LEU 70 HG LEU 70 19.705 7.938 6.609 470 HD11 LEU 70 HD11 LEU 70 19.258 10.867 7.064 471 HD12 LEU 70 HD12 LEU 70 19.847 9.813 8.349 472 HD13 LEU 70 HD13 LEU 70 18.283 9.498 7.599 473 HD21 LEU 70 HD21 LEU 70 20.173 8.949 4.261 474 HD22 LEU 70 HD22 LEU 70 19.329 10.360 4.898 475 HD23 LEU 70 HD23 LEU 70 18.511 8.798 4.830 476 HA PRO 71 HA PRO 71 19.407 5.765 8.800 477 HB2 PRO 71 HB2 PRO 71 20.452 3.415 7.933 478 HB3 PRO 71 HB3 PRO 71 19.515 4.492 6.891 479 HG2 PRO 71 HG2 PRO 71 22.484 4.179 7.110 480 HG3 PRO 71 HG3 PRO 71 21.481 4.344 5.657 481 HD2 PRO 71 HD2 PRO 71 22.872 6.415 6.710 482 HD3 PRO 71 HD3 PRO 71 21.321 6.633 5.875 483 H GLY 72 H GLY 72 22.885 5.025 9.000 484 HA2 GLY 72 HA2 GLY 72 22.726 3.298 11.220 485 HA3 GLY 72 HA3 GLY 72 24.161 4.172 10.706 486 H LYS 73 H LYS 73 23.061 6.801 11.002 487 HA LYS 73 HA LYS 73 23.509 7.135 13.818 488 HB2 LYS 73 HB2 LYS 73 22.906 9.059 11.576 489 HB3 LYS 73 HB3 LYS 73 23.073 9.582 13.247 490 HG2 LYS 73 HG2 LYS 73 25.305 7.942 12.526 491 HG3 LYS 73 HG3 LYS 73 25.096 9.230 11.338 492 HD2 LYS 73 HD2 LYS 73 24.796 10.708 13.503 493 HD3 LYS 73 HD3 LYS 73 25.722 9.402 14.246 494 HE2 LYS 73 HE2 LYS 73 27.484 9.706 12.575 495 HE3 LYS 73 HE3 LYS 73 26.555 11.006 11.830 496 HZ1 LYS 73 HZ1 LYS 73 27.026 12.437 13.515 497 HZ2 LYS 73 HZ2 LYS 73 28.428 11.494 13.580 498 HZ3 LYS 73 HZ3 LYS 73 27.174 11.221 14.682 499 H CYS 74 H CYS 74 20.753 7.031 11.702 500 HA CYS 74 HA CYS 74 18.943 8.172 13.647 501 HB2 CYS 74 HB2 CYS 74 18.561 6.929 10.927 502 HB3 CYS 74 HB3 CYS 74 17.201 7.404 11.938 503 H GLY 75 H GLY 75 20.494 5.330 13.561 504 HA2 GLY 75 HA2 GLY 75 20.175 3.403 14.788 505 HA3 GLY 75 HA3 GLY 75 18.660 4.079 15.367 506 H VAL 76 H VAL 76 19.624 3.479 12.016 507 HA VAL 76 HA VAL 76 17.782 1.220 11.856 508 HB VAL 76 HB VAL 76 16.434 3.238 11.328 509 HG11 VAL 76 HG11 VAL 76 16.866 4.402 9.187 510 HG12 VAL 76 HG12 VAL 76 18.143 4.654 10.380 511 HG13 VAL 76 HG13 VAL 76 18.389 3.523 9.049 512 HG21 VAL 76 HG21 VAL 76 15.352 2.308 9.450 513 HG22 VAL 76 HG22 VAL 76 16.843 1.581 8.851 514 HG23 VAL 76 HG23 VAL 76 16.073 0.943 10.304 515 H ASN 77 H ASN 77 18.315 -0.262 10.308 516 HA ASN 77 HA ASN 77 20.533 0.408 8.496 517 HB2 ASN 77 HB2 ASN 77 21.483 -0.843 10.353 518 HB3 ASN 77 HB3 ASN 77 20.265 -2.101 10.166 519 HD21 ASN 77 HD21 ASN 77 21.300 -3.842 9.494 520 HD22 ASN 77 HD22 ASN 77 22.406 -3.910 8.169 521 H ILE 78 H ILE 78 20.519 -0.606 6.497 522 HA ILE 78 HA ILE 78 18.049 -2.084 5.859 523 HB ILE 78 HB ILE 78 18.559 -1.242 3.466 524 HG12 ILE 78 HG12 ILE 78 20.820 -0.283 4.445 525 HG13 ILE 78 HG13 ILE 78 19.961 0.561 3.162 526 HG21 ILE 78 HG21 ILE 78 17.418 0.342 5.730 527 HG22 ILE 78 HG22 ILE 78 17.469 1.026 4.106 528 HG23 ILE 78 HG23 ILE 78 16.590 -0.474 4.403 529 HD11 ILE 78 HD11 ILE 78 20.851 1.842 5.255 530 HD12 ILE 78 HD12 ILE 78 19.292 2.256 4.542 531 HD13 ILE 78 HD13 ILE 78 19.361 1.253 5.991 532 HA PRO 79 HA PRO 79 20.400 -5.489 4.396 533 HB2 PRO 79 HB2 PRO 79 18.930 -6.308 2.266 534 HB3 PRO 79 HB3 PRO 79 18.405 -6.533 3.939 535 HG2 PRO 79 HG2 PRO 79 17.603 -4.426 1.970 536 HG3 PRO 79 HG3 PRO 79 16.592 -5.342 3.102 537 HD2 PRO 79 HD2 PRO 79 17.406 -2.807 3.597 538 HD3 PRO 79 HD3 PRO 79 17.158 -3.999 4.889 539 H TYR 80 H TYR 80 19.750 -2.832 2.265 540 HA TYR 80 HA TYR 80 22.072 -3.611 0.627 541 HB2 TYR 80 HB2 TYR 80 19.380 -2.644 -0.188 542 HB3 TYR 80 HB3 TYR 80 20.760 -2.049 -1.104 543 HD1 TYR 80 HD1 TYR 80 19.343 -5.262 0.177 544 HD2 TYR 80 HD2 TYR 80 21.489 -3.282 -2.919 545 HE1 TYR 80 HE1 TYR 80 19.361 -7.343 -1.133 546 HE2 TYR 80 HE2 TYR 80 21.511 -5.358 -4.238 547 HH TYR 80 HH TYR 80 21.305 -8.064 -3.412 548 H LYS 81 H LYS 81 23.040 -1.675 -0.525 549 HA LYS 81 HA LYS 81 23.527 0.383 1.454 550 HB2 LYS 81 HB2 LYS 81 25.230 -0.828 -0.155 551 HB3 LYS 81 HB3 LYS 81 24.742 0.435 -1.277 552 HG2 LYS 81 HG2 LYS 81 25.341 1.559 1.300 553 HG3 LYS 81 HG3 LYS 81 26.691 0.587 0.712 554 HD2 LYS 81 HD2 LYS 81 25.483 2.307 -1.326 555 HD3 LYS 81 HD3 LYS 81 26.200 3.188 0.025 556 HE2 LYS 81 HE2 LYS 81 27.666 0.993 -1.410 557 HE3 LYS 81 HE3 LYS 81 27.702 2.663 -1.973 558 HZ1 LYS 81 HZ1 LYS 81 29.319 3.033 -0.529 559 HZ2 LYS 81 HZ2 LYS 81 29.192 1.469 0.102 560 HZ3 LYS 81 HZ3 LYS 81 28.251 2.719 0.745 561 H ILE 82 H ILE 82 23.733 2.695 0.634 562 HA ILE 82 HA ILE 82 21.348 3.330 -0.970 563 HB ILE 82 HB ILE 82 22.711 5.246 0.904 564 HG12 ILE 82 HG12 ILE 82 22.112 3.302 2.239 565 HG13 ILE 82 HG13 ILE 82 21.007 4.626 2.593 566 HG21 ILE 82 HG21 ILE 82 19.953 5.095 -0.299 567 HG22 ILE 82 HG22 ILE 82 20.441 6.268 0.923 568 HG23 ILE 82 HG23 ILE 82 21.215 6.272 -0.662 569 HD11 ILE 82 HD11 ILE 82 19.277 3.353 2.083 570 HD12 ILE 82 HD12 ILE 82 19.935 3.040 0.477 571 HD13 ILE 82 HD13 ILE 82 20.381 2.001 1.831 572 H SER 83 H SER 83 22.229 3.403 -3.007 573 HA SER 83 HA SER 83 23.607 5.791 -3.725 574 HB2 SER 83 HB2 SER 83 25.129 3.201 -3.645 575 HB3 SER 83 HB3 SER 83 25.538 4.441 -4.830 576 HG SER 83 HG SER 83 25.459 5.823 -2.743 577 H THR 84 H THR 84 24.459 5.393 -6.177 578 HA THR 84 HA THR 84 22.060 4.716 -7.623 579 HB THR 84 HB THR 84 23.422 5.385 -9.641 580 HG1 THR 84 HG1 THR 84 25.488 5.821 -9.396 581 HG21 THR 84 HG21 THR 84 22.592 7.423 -9.286 582 HG22 THR 84 HG22 THR 84 23.794 7.745 -8.036 583 HG23 THR 84 HG23 THR 84 22.275 6.953 -7.617 584 H THR 85 H THR 85 24.457 2.863 -6.421 585 HA THR 85 HA THR 85 24.427 0.994 -8.698 586 HB THR 85 HB THR 85 26.458 -0.003 -7.800 587 HG1 THR 85 HG1 THR 85 26.570 2.058 -5.858 588 HG21 THR 85 HG21 THR 85 26.399 2.226 -9.195 589 HG22 THR 85 HG22 THR 85 27.918 1.619 -8.536 590 HG23 THR 85 HG23 THR 85 27.056 2.920 -7.714 591 H THR 86 H THR 86 22.381 1.341 -6.565 592 HA THR 86 HA THR 86 22.593 -1.240 -5.180 593 HB THR 86 HB THR 86 20.790 1.131 -4.678 594 HG1 THR 86 HG1 THR 86 22.748 1.500 -3.751 595 HG21 THR 86 HG21 THR 86 20.632 -1.679 -3.754 596 HG22 THR 86 HG22 THR 86 19.354 -0.484 -3.969 597 HG23 THR 86 HG23 THR 86 20.382 -0.428 -2.537 598 H ASN 87 H ASN 87 21.072 -2.836 -5.416 599 HA ASN 87 HA ASN 87 18.928 -2.368 -7.376 600 HB2 ASN 87 HB2 ASN 87 21.025 -3.670 -8.213 601 HB3 ASN 87 HB3 ASN 87 20.370 -4.999 -7.260 602 HD21 ASN 87 HD21 ASN 87 20.651 -5.402 -9.876 603 HD22 ASN 87 HD22 ASN 87 19.121 -5.393 -10.678 604 H CYS 88 H CYS 88 17.302 -2.276 -5.871 605 HA CYS 88 HA CYS 88 17.054 -4.260 -3.798 606 HB2 CYS 88 HB2 CYS 88 15.559 -1.827 -4.632 607 HB3 CYS 88 HB3 CYS 88 14.675 -3.042 -3.716 608 H ASN 89 H ASN 89 16.431 -4.281 -7.048 609 HA ASN 89 HA ASN 89 13.960 -5.762 -7.011 610 HB2 ASN 89 HB2 ASN 89 15.840 -5.627 -9.355 611 HB3 ASN 89 HB3 ASN 89 14.084 -5.761 -9.357 612 HD21 ASN 89 HD21 ASN 89 15.917 -3.841 -10.653 613 HD22 ASN 89 HD22 ASN 89 15.376 -2.281 -10.146 614 H THR 90 H THR 90 17.390 -6.479 -7.251 615 HA THR 90 HA THR 90 16.792 -9.345 -7.464 616 HB THR 90 HB THR 90 19.366 -9.466 -7.756 617 HG1 THR 90 HG1 THR 90 20.371 -7.597 -8.262 618 HG21 THR 90 HG21 THR 90 18.203 -10.026 -9.660 619 HG22 THR 90 HG22 THR 90 19.028 -8.566 -10.207 620 HG23 THR 90 HG23 THR 90 17.338 -8.491 -9.712 621 H VAL 91 H VAL 91 16.169 -8.319 -5.020 622 HA VAL 91 HA VAL 91 18.379 -8.594 -3.190 623 HB VAL 91 HB VAL 91 15.415 -8.353 -2.654 624 HG11 VAL 91 HG11 VAL 91 16.784 -7.471 -0.425 625 HG12 VAL 91 HG12 VAL 91 15.939 -9.011 -0.587 626 HG13 VAL 91 HG13 VAL 91 17.670 -8.915 -0.911 627 HG21 VAL 91 HG21 VAL 91 17.289 -6.165 -2.009 628 HG22 VAL 91 HG22 VAL 91 16.983 -6.449 -3.722 629 HG23 VAL 91 HG23 VAL 91 15.641 -6.102 -2.632 630 H LYS 92 H LYS 92 18.975 -10.352 -2.072 631 HA LYS 92 HA LYS 92 17.635 -12.866 -2.668 632 HB2 LYS 92 HB2 LYS 92 20.287 -12.098 -1.512 633 HB3 LYS 92 HB3 LYS 92 19.654 -13.711 -1.208 634 HG2 LYS 92 HG2 LYS 92 19.719 -14.291 -3.468 635 HG3 LYS 92 HG3 LYS 92 19.848 -12.609 -3.988 636 HD2 LYS 92 HD2 LYS 92 22.070 -12.703 -3.909 637 HD3 LYS 92 HD3 LYS 92 22.030 -13.278 -2.240 638 HE2 LYS 92 HE2 LYS 92 22.078 -15.502 -2.868 639 HE3 LYS 92 HE3 LYS 92 21.430 -15.169 -4.474 640 HZ1 LYS 92 HZ1 LYS 92 24.063 -15.553 -3.825 641 HZ2 LYS 92 HZ2 LYS 92 23.940 -13.883 -4.061 642 HZ3 LYS 92 HZ3 LYS 92 23.469 -14.947 -5.289 643 H PHE 93 H PHE 93 16.048 -13.543 -1.398 644 HA PHE 93 HA PHE 93 14.714 -13.866 0.420 645 HB2 PHE 93 HB2 PHE 93 17.494 -14.263 1.410 646 HB3 PHE 93 HB3 PHE 93 16.209 -14.173 2.611 647 HD1 PHE 93 HD1 PHE 93 14.269 -15.774 2.420 648 HD2 PHE 93 HD2 PHE 93 17.862 -16.216 0.182 649 HE1 PHE 93 HE1 PHE 93 13.720 -18.138 2.013 650 HE2 PHE 93 HE2 PHE 93 17.319 -18.580 -0.229 651 HZ PHE 93 HZ PHE 93 15.246 -19.544 0.686
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